NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
611876 | 5tcz | 30181 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 2.613 1.113 -0.262 2 H2 GLY 1 H2 GLY 1 1.700 0.810 -1.612 3 H3 GLY 1 H3 GLY 1 1.394 -0.000 -0.204 4 HA2 GLY 1 HA2 GLY 1 3.790 -0.248 -1.878 5 HA3 GLY 1 HA3 GLY 1 3.548 -1.056 -0.314 6 HA PRO 2 HA PRO 2 2.106 -3.929 -3.658 7 HB2 PRO 2 HB2 PRO 2 2.990 -6.262 -2.436 8 HB3 PRO 2 HB3 PRO 2 4.000 -5.202 -3.452 9 HG2 PRO 2 HG2 PRO 2 3.758 -5.222 -0.430 10 HG3 PRO 2 HG3 PRO 2 5.254 -5.224 -1.421 11 HD2 PRO 2 HD2 PRO 2 4.297 -2.935 -0.384 12 HD3 PRO 2 HD3 PRO 2 4.920 -2.960 -2.058 13 H TYR 3 H TYR 3 1.011 -3.534 -0.435 14 HA TYR 3 HA TYR 3 -1.379 -5.032 -1.102 15 HB2 TYR 3 HB2 TYR 3 -1.363 -6.160 1.235 16 HB3 TYR 3 HB3 TYR 3 -0.688 -6.884 -0.208 17 HD1 TYR 3 HD1 TYR 3 1.611 -7.456 -0.397 18 HD2 TYR 3 HD2 TYR 3 0.234 -5.079 2.933 19 HE1 TYR 3 HE1 TYR 3 3.767 -7.860 0.790 20 HE2 TYR 3 HE2 TYR 3 2.414 -5.439 4.084 21 HH TYR 3 HH TYR 3 4.634 -6.167 3.752 22 H CYS 4 H CYS 4 -2.787 -3.571 -1.134 23 HA CYS 4 HA CYS 4 -3.449 -2.078 1.318 24 HB2 CYS 4 HB2 CYS 4 -3.321 0.082 -0.031 25 HB3 CYS 4 HB3 CYS 4 -1.833 -0.593 0.584 26 H GLN 5 H GLN 5 -4.257 -1.573 -2.173 27 HA GLN 5 HA GLN 5 -7.013 -1.134 -1.638 28 HB2 GLN 5 HB2 GLN 5 -5.951 -0.283 -3.597 29 HB3 GLN 5 HB3 GLN 5 -5.542 -1.883 -4.190 30 HG2 GLN 5 HG2 GLN 5 -8.467 -1.316 -3.715 31 HG3 GLN 5 HG3 GLN 5 -7.697 -0.395 -4.986 32 HE21 GLN 5 HE21 GLN 5 -6.039 -2.183 -6.422 33 HE22 GLN 5 HE22 GLN 5 -7.041 -3.523 -6.905 34 H LYS 6 H LYS 6 -5.658 -4.089 -3.250 35 HA LYS 6 HA LYS 6 -7.925 -5.669 -2.315 36 HB2 LYS 6 HB2 LYS 6 -6.773 -5.937 -4.542 37 HB3 LYS 6 HB3 LYS 6 -5.452 -6.752 -3.691 38 HG2 LYS 6 HG2 LYS 6 -6.930 -8.562 -3.000 39 HG3 LYS 6 HG3 LYS 6 -8.364 -7.611 -3.379 40 HD2 LYS 6 HD2 LYS 6 -8.141 -9.263 -5.087 41 HD3 LYS 6 HD3 LYS 6 -7.772 -7.693 -5.799 42 HE2 LYS 6 HE2 LYS 6 -6.126 -9.130 -6.660 43 HE3 LYS 6 HE3 LYS 6 -5.292 -8.253 -5.368 44 HZ1 LYS 6 HZ1 LYS 6 -6.452 -10.977 -5.196 45 HZ2 LYS 6 HZ2 LYS 6 -5.687 -10.240 -3.935 46 HZ3 LYS 6 HZ3 LYS 6 -4.864 -10.653 -5.311 47 H TRP 7 H TRP 7 -6.531 -4.461 -0.215 48 HA TRP 7 HA TRP 7 -6.550 -6.836 1.488 49 HB2 TRP 7 HB2 TRP 7 -4.120 -6.419 0.935 50 HB3 TRP 7 HB3 TRP 7 -4.259 -4.870 1.747 51 HD1 TRP 7 HD1 TRP 7 -5.401 -8.396 2.967 52 HE1 TRP 7 HE1 TRP 7 -4.186 -8.952 5.179 53 HE3 TRP 7 HE3 TRP 7 -2.574 -4.154 3.455 54 HZ2 TRP 7 HZ2 TRP 7 -2.030 -7.870 6.714 55 HZ3 TRP 7 HZ3 TRP 7 -0.927 -3.954 5.302 56 HH2 TRP 7 HH2 TRP 7 -0.638 -5.804 6.932 57 H MET 8 H MET 8 -7.859 -4.010 0.747 58 HA MET 8 HA MET 8 -9.272 -2.606 1.725 59 HB2 MET 8 HB2 MET 8 -9.572 -5.031 3.474 60 HB3 MET 8 HB3 MET 8 -10.616 -3.622 3.684 61 HG2 MET 8 HG2 MET 8 -11.437 -3.712 1.478 62 HG3 MET 8 HG3 MET 8 -10.181 -4.821 0.933 63 HE1 MET 8 HE1 MET 8 -11.274 -8.274 2.281 64 HE2 MET 8 HE2 MET 8 -10.120 -7.379 1.272 65 HE3 MET 8 HE3 MET 8 -10.113 -7.171 3.039 66 H GLN 9 H GLN 9 -7.087 -1.627 2.022 67 HA GLN 9 HA GLN 9 -5.885 -0.966 4.369 68 HB2 GLN 9 HB2 GLN 9 -4.887 0.866 3.052 69 HB3 GLN 9 HB3 GLN 9 -4.940 -0.644 2.194 70 HG2 GLN 9 HG2 GLN 9 -6.903 0.094 0.867 71 HG3 GLN 9 HG3 GLN 9 -6.995 1.586 1.801 72 HE21 GLN 9 HE21 GLN 9 -4.083 2.144 1.814 73 HE22 GLN 9 HE22 GLN 9 -3.750 2.674 0.185 74 H THR 10 H THR 10 -8.459 -0.561 5.359 75 HA THR 10 HA THR 10 -9.508 0.929 6.849 76 HB THR 10 HB THR 10 -6.589 1.269 7.561 77 HG1 THR 10 HG1 THR 10 -6.621 -0.798 8.247 78 HG21 THR 10 HG21 THR 10 -9.146 0.771 9.167 79 HG22 THR 10 HG22 THR 10 -8.223 2.286 9.124 80 HG23 THR 10 HG23 THR 10 -7.504 0.842 9.846 81 H CYS 11 H CYS 11 -10.088 2.654 5.020 82 HA CYS 11 HA CYS 11 -8.069 4.684 4.758 83 HB2 CYS 11 HB2 CYS 11 -9.332 3.677 2.915 84 HB3 CYS 11 HB3 CYS 11 -10.733 4.654 3.372 85 H ASP 12 H ASP 12 -8.055 6.782 5.025 86 HA ASP 12 HA ASP 12 -9.898 8.231 6.831 87 HB2 ASP 12 HB2 ASP 12 -6.868 7.995 7.146 88 HB3 ASP 12 HB3 ASP 12 -7.941 8.970 8.136 89 H SER 13 H SER 13 -9.169 10.680 6.723 90 HA SER 13 HA SER 13 -8.551 11.493 4.010 91 HB2 SER 13 HB2 SER 13 -10.066 12.822 5.361 92 HB3 SER 13 HB3 SER 13 -8.804 13.114 6.560 93 HG SER 13 HG SER 13 -7.587 13.988 4.700 94 H GLU 14 H GLU 14 -6.481 10.056 5.722 95 HA GLU 14 HA GLU 14 -4.079 11.661 4.982 96 HB2 GLU 14 HB2 GLU 14 -3.049 10.977 7.086 97 HB3 GLU 14 HB3 GLU 14 -4.476 11.952 7.376 98 HG2 GLU 14 HG2 GLU 14 -5.816 10.007 7.935 99 HG3 GLU 14 HG3 GLU 14 -4.493 8.913 7.529 100 H ARG 15 H ARG 15 -5.784 8.964 4.268 101 HA ARG 15 HA ARG 15 -3.556 7.041 4.491 102 HB2 ARG 15 HB2 ARG 15 -6.086 6.672 5.158 103 HB3 ARG 15 HB3 ARG 15 -6.279 6.230 3.461 104 HG2 ARG 15 HG2 ARG 15 -4.139 5.061 5.311 105 HG3 ARG 15 HG3 ARG 15 -5.764 4.381 5.197 106 HD2 ARG 15 HD2 ARG 15 -5.449 3.421 3.170 107 HD3 ARG 15 HD3 ARG 15 -4.453 4.734 2.545 108 HE ARG 15 HE ARG 15 -2.590 3.420 3.077 109 HH11 ARG 15 HH11 ARG 15 -5.164 2.338 5.221 110 HH12 ARG 15 HH12 ARG 15 -3.989 1.569 6.285 111 HH21 ARG 15 HH21 ARG 15 -1.215 2.307 4.535 112 HH22 ARG 15 HH22 ARG 15 -2.007 1.374 5.793 113 H LYS 16 H LYS 16 -2.470 6.306 2.931 114 HA LYS 16 HA LYS 16 -2.417 7.468 0.299 115 HB2 LYS 16 HB2 LYS 16 -0.762 5.348 1.721 116 HB3 LYS 16 HB3 LYS 16 -0.427 5.899 0.091 117 HG2 LYS 16 HG2 LYS 16 1.020 7.049 1.630 118 HG3 LYS 16 HG3 LYS 16 -0.098 8.216 0.922 119 HD2 LYS 16 HD2 LYS 16 -1.376 8.345 2.968 120 HD3 LYS 16 HD3 LYS 16 -0.494 6.964 3.678 121 HE2 LYS 16 HE2 LYS 16 1.555 8.412 3.680 122 HE3 LYS 16 HE3 LYS 16 0.576 9.724 3.001 123 HZ1 LYS 16 HZ1 LYS 16 0.656 10.013 5.325 124 HZ2 LYS 16 HZ2 LYS 16 0.234 8.476 5.674 125 HZ3 LYS 16 HZ3 LYS 16 -0.878 9.495 5.009 126 H CYS 17 H CYS 17 -4.679 6.769 -0.057 127 HA CYS 17 HA CYS 17 -5.554 4.115 -0.433 128 HB2 CYS 17 HB2 CYS 17 -6.962 6.126 -0.078 129 HB3 CYS 17 HB3 CYS 17 -6.537 6.694 -1.687 130 H CYS 18 H CYS 18 -4.676 2.682 -1.878 131 HA CYS 18 HA CYS 18 -2.772 3.570 -3.768 132 HB2 CYS 18 HB2 CYS 18 -4.042 0.889 -3.176 133 HB3 CYS 18 HB3 CYS 18 -2.781 1.082 -4.395 134 H GLU 19 H GLU 19 -6.149 3.183 -4.282 135 HA GLU 19 HA GLU 19 -5.743 3.605 -7.209 136 HB2 GLU 19 HB2 GLU 19 -7.772 1.792 -5.848 137 HB3 GLU 19 HB3 GLU 19 -7.833 2.228 -7.554 138 HG2 GLU 19 HG2 GLU 19 -5.632 0.634 -6.210 139 HG3 GLU 19 HG3 GLU 19 -6.911 0.007 -7.245 140 H GLY 20 H GLY 20 -6.643 5.229 -4.606 141 HA2 GLY 20 HA2 GLY 20 -7.912 7.074 -4.197 142 HA3 GLY 20 HA3 GLY 20 -8.020 7.256 -5.951 143 H MET 21 H MET 21 -9.483 4.395 -4.676 144 HA MET 21 HA MET 21 -12.161 5.473 -5.367 145 HB2 MET 21 HB2 MET 21 -12.712 3.120 -5.966 146 HB3 MET 21 HB3 MET 21 -11.481 3.895 -6.962 147 HG2 MET 21 HG2 MET 21 -9.707 2.736 -5.709 148 HG3 MET 21 HG3 MET 21 -10.907 1.942 -4.701 149 HE1 MET 21 HE1 MET 21 -9.738 2.499 -8.392 150 HE2 MET 21 HE2 MET 21 -10.300 1.026 -9.214 151 HE3 MET 21 HE3 MET 21 -11.457 2.276 -8.715 152 H VAL 22 H VAL 22 -13.644 5.627 -3.913 153 HA VAL 22 HA VAL 22 -14.789 5.516 -1.991 154 HB VAL 22 HB VAL 22 -14.507 2.517 -2.135 155 HG11 VAL 22 HG11 VAL 22 -16.904 2.653 -1.441 156 HG12 VAL 22 HG12 VAL 22 -15.813 3.331 -0.236 157 HG13 VAL 22 HG13 VAL 22 -16.752 4.408 -1.295 158 HG21 VAL 22 HG21 VAL 22 -16.360 4.251 -3.803 159 HG22 VAL 22 HG22 VAL 22 -14.968 3.352 -4.438 160 HG23 VAL 22 HG23 VAL 22 -16.309 2.468 -3.720 161 H CYS 23 H CYS 23 -12.938 6.575 -0.872 162 HA CYS 23 HA CYS 23 -11.568 5.060 1.165 163 HB2 CYS 23 HB2 CYS 23 -10.760 7.171 0.148 164 HB3 CYS 23 HB3 CYS 23 -12.070 8.037 0.947 165 H ARG 24 H ARG 24 -13.816 3.992 1.590 166 HA ARG 24 HA ARG 24 -14.882 5.121 4.134 167 HB2 ARG 24 HB2 ARG 24 -16.550 3.911 1.889 168 HB3 ARG 24 HB3 ARG 24 -17.047 3.879 3.568 169 HG2 ARG 24 HG2 ARG 24 -18.138 5.767 2.886 170 HG3 ARG 24 HG3 ARG 24 -16.655 6.462 3.571 171 HD2 ARG 24 HD2 ARG 24 -15.700 6.488 1.204 172 HD3 ARG 24 HD3 ARG 24 -17.262 5.900 0.625 173 HE ARG 24 HE ARG 24 -17.098 8.350 2.337 174 HH11 ARG 24 HH11 ARG 24 -17.697 7.218 -1.001 175 HH12 ARG 24 HH12 ARG 24 -18.563 8.677 -1.339 176 HH21 ARG 24 HH21 ARG 24 -18.365 9.959 1.836 177 HH22 ARG 24 HH22 ARG 24 -18.785 10.249 0.146 178 H LEU 25 H LEU 25 -14.215 3.909 5.661 179 HA LEU 25 HA LEU 25 -13.174 2.298 6.844 180 HB2 LEU 25 HB2 LEU 25 -15.057 0.409 5.392 181 HB3 LEU 25 HB3 LEU 25 -14.177 0.095 6.876 182 HG LEU 25 HG LEU 25 -15.459 2.289 7.728 183 HD11 LEU 25 HD11 LEU 25 -16.686 2.761 5.628 184 HD12 LEU 25 HD12 LEU 25 -17.802 2.285 6.874 185 HD13 LEU 25 HD13 LEU 25 -17.338 1.115 5.610 186 HD21 LEU 25 HD21 LEU 25 -16.731 -0.462 7.489 187 HD22 LEU 25 HD22 LEU 25 -17.173 0.802 8.670 188 HD23 LEU 25 HD23 LEU 25 -15.578 0.054 8.739 189 H TRP 26 H TRP 26 -12.846 1.807 3.433 190 HA TRP 26 HA TRP 26 -10.141 0.741 3.658 191 HB2 TRP 26 HB2 TRP 26 -11.084 -1.142 1.910 192 HB3 TRP 26 HB3 TRP 26 -10.816 -1.342 3.615 193 HD1 TRP 26 HD1 TRP 26 -12.663 -2.267 4.987 194 HE1 TRP 26 HE1 TRP 26 -15.198 -2.557 4.796 195 HE3 TRP 26 HE3 TRP 26 -13.466 0.325 0.633 196 HZ2 TRP 26 HZ2 TRP 26 -17.293 -1.852 2.968 197 HZ3 TRP 26 HZ3 TRP 26 -15.745 0.505 -0.291 198 HH2 TRP 26 HH2 TRP 26 -17.672 -0.608 0.851 199 H CYS 27 H CYS 27 -9.989 -0.036 0.866 200 HA CYS 27 HA CYS 27 -11.207 2.142 -0.669 201 HB2 CYS 27 HB2 CYS 27 -8.264 1.439 -0.940 202 HB3 CYS 27 HB3 CYS 27 -9.219 2.308 -2.139 203 H LYS 28 H LYS 28 -12.293 1.304 -2.294 204 HA LYS 28 HA LYS 28 -11.804 -1.353 -3.495 205 HB2 LYS 28 HB2 LYS 28 -14.267 -0.678 -1.820 206 HB3 LYS 28 HB3 LYS 28 -14.173 -2.064 -2.882 207 HG2 LYS 28 HG2 LYS 28 -12.318 -1.692 -0.499 208 HG3 LYS 28 HG3 LYS 28 -13.856 -2.512 -0.408 209 HD2 LYS 28 HD2 LYS 28 -11.844 -3.409 -2.485 210 HD3 LYS 28 HD3 LYS 28 -11.618 -3.876 -0.816 211 HE2 LYS 28 HE2 LYS 28 -14.163 -4.415 -2.415 212 HE3 LYS 28 HE3 LYS 28 -12.841 -5.556 -2.198 213 HZ1 LYS 28 HZ1 LYS 28 -13.222 -5.452 0.214 214 HZ2 LYS 28 HZ2 LYS 28 -14.488 -6.058 -0.592 215 HZ3 LYS 28 HZ3 LYS 28 -14.552 -4.516 -0.007 216 H LYS 29 H LYS 29 -13.260 -1.664 -5.437 217 HA LYS 29 HA LYS 29 -13.708 0.944 -6.673 218 HB2 LYS 29 HB2 LYS 29 -12.770 -1.204 -7.799 219 HB3 LYS 29 HB3 LYS 29 -14.465 -1.683 -7.966 220 HG2 LYS 29 HG2 LYS 29 -14.827 0.660 -9.066 221 HG3 LYS 29 HG3 LYS 29 -13.078 0.813 -9.046 222 HD2 LYS 29 HD2 LYS 29 -13.561 0.052 -11.209 223 HD3 LYS 29 HD3 LYS 29 -13.033 -1.416 -10.379 224 HE2 LYS 29 HE2 LYS 29 -15.436 -1.991 -9.931 225 HE3 LYS 29 HE3 LYS 29 -15.919 -0.484 -10.728 226 HZ1 LYS 29 HZ1 LYS 29 -14.856 -1.347 -12.773 227 HZ2 LYS 29 HZ2 LYS 29 -16.112 -2.274 -12.264 228 HZ3 LYS 29 HZ3 LYS 29 -14.575 -2.780 -12.016 229 H LYS 30 H LYS 30 -15.528 2.039 -6.982 230 HA LYS 30 HA LYS 30 -18.144 0.693 -7.376 231 HB2 LYS 30 HB2 LYS 30 -18.141 1.341 -4.969 232 HB3 LYS 30 HB3 LYS 30 -17.704 2.981 -5.432 233 HG2 LYS 30 HG2 LYS 30 -19.927 2.981 -6.801 234 HG3 LYS 30 HG3 LYS 30 -20.358 1.589 -5.809 235 HD2 LYS 30 HD2 LYS 30 -19.575 4.385 -4.857 236 HD3 LYS 30 HD3 LYS 30 -21.205 3.736 -4.884 237 HE2 LYS 30 HE2 LYS 30 -18.896 2.719 -3.155 238 HE3 LYS 30 HE3 LYS 30 -20.179 3.810 -2.628 239 HZ1 LYS 30 HZ1 LYS 30 -20.535 0.992 -3.477 240 HZ2 LYS 30 HZ2 LYS 30 -21.774 2.037 -3.230 241 HZ3 LYS 30 HZ3 LYS 30 -20.772 1.650 -1.981 242 H LEU 31 H LEU 31 -18.119 1.208 -9.541 243 HA LEU 31 HA LEU 31 -18.118 4.024 -10.397 244 HB2 LEU 31 HB2 LEU 31 -15.773 3.628 -10.163 245 HB3 LEU 31 HB3 LEU 31 -15.853 2.081 -10.983 246 HG LEU 31 HG LEU 31 -16.713 4.467 -12.595 247 HD11 LEU 31 HD11 LEU 31 -13.795 3.944 -11.926 248 HD12 LEU 31 HD12 LEU 31 -14.743 5.359 -11.419 249 HD13 LEU 31 HD13 LEU 31 -14.414 5.081 -13.136 250 HD21 LEU 31 HD21 LEU 31 -14.806 2.157 -13.215 251 HD22 LEU 31 HD22 LEU 31 -15.520 3.284 -14.375 252 HD23 LEU 31 HD23 LEU 31 -16.541 2.101 -13.532 253 H LEU 32 H LEU 32 -19.109 4.411 -12.332 254 HA LEU 32 HA LEU 32 -20.277 2.112 -13.842 255 HB2 LEU 32 HB2 LEU 32 -21.519 3.797 -15.016 256 HB3 LEU 32 HB3 LEU 32 -21.536 4.230 -13.312 257 HG LEU 32 HG LEU 32 -19.321 5.676 -14.100 258 HD11 LEU 32 HD11 LEU 32 -21.182 5.708 -16.535 259 HD12 LEU 32 HD12 LEU 32 -19.558 5.008 -16.537 260 HD13 LEU 32 HD13 LEU 32 -19.762 6.738 -16.277 261 HD21 LEU 32 HD21 LEU 32 -22.215 6.565 -14.451 262 HD22 LEU 32 HD22 LEU 32 -20.798 7.624 -14.262 263 HD23 LEU 32 HD23 LEU 32 -21.301 6.571 -12.928 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 4.898 -2.861 -4.928 2 H2 GLY 1 H2 GLY 1 4.278 -4.186 -4.174 3 H3 GLY 1 H3 GLY 1 3.290 -3.191 -5.032 4 HA2 GLY 1 HA2 GLY 1 4.766 -2.348 -2.642 5 HA3 GLY 1 HA3 GLY 1 3.513 -1.424 -3.503 6 HA PRO 2 HA PRO 2 1.836 -4.075 -0.001 7 HB2 PRO 2 HB2 PRO 2 0.844 -2.169 1.672 8 HB3 PRO 2 HB3 PRO 2 2.589 -2.589 1.592 9 HG2 PRO 2 HG2 PRO 2 1.188 -0.295 0.169 10 HG3 PRO 2 HG3 PRO 2 2.643 -0.217 1.214 11 HD2 PRO 2 HD2 PRO 2 2.868 -0.401 -1.484 12 HD3 PRO 2 HD3 PRO 2 3.982 -1.292 -0.398 13 H TYR 3 H TYR 3 -0.188 -4.960 -0.094 14 HA TYR 3 HA TYR 3 -2.122 -3.860 -1.835 15 HB2 TYR 3 HB2 TYR 3 -2.283 -6.178 0.066 16 HB3 TYR 3 HB3 TYR 3 -3.646 -5.646 -0.901 17 HD1 TYR 3 HD1 TYR 3 -0.963 -7.897 -0.885 18 HD2 TYR 3 HD2 TYR 3 -3.123 -5.241 -3.514 19 HE1 TYR 3 HE1 TYR 3 -0.340 -9.304 -2.831 20 HE2 TYR 3 HE2 TYR 3 -2.487 -6.636 -5.449 21 HH TYR 3 HH TYR 3 -1.454 -8.527 -6.165 22 H CYS 4 H CYS 4 -3.854 -2.693 -1.720 23 HA CYS 4 HA CYS 4 -5.092 -2.002 0.876 24 HB2 CYS 4 HB2 CYS 4 -4.812 0.464 0.065 25 HB3 CYS 4 HB3 CYS 4 -3.522 -0.365 0.902 26 H GLN 5 H GLN 5 -5.443 -2.027 -2.615 27 HA GLN 5 HA GLN 5 -8.353 -1.508 -2.360 28 HB2 GLN 5 HB2 GLN 5 -7.624 -0.421 -4.197 29 HB3 GLN 5 HB3 GLN 5 -6.335 -1.550 -4.568 30 HG2 GLN 5 HG2 GLN 5 -9.223 -2.350 -5.017 31 HG3 GLN 5 HG3 GLN 5 -8.402 -1.280 -6.142 32 HE21 GLN 5 HE21 GLN 5 -6.099 -2.098 -6.915 33 HE22 GLN 5 HE22 GLN 5 -6.035 -3.847 -7.188 34 H LYS 6 H LYS 6 -6.064 -4.120 -2.986 35 HA LYS 6 HA LYS 6 -8.117 -6.158 -3.132 36 HB2 LYS 6 HB2 LYS 6 -5.753 -6.012 -4.243 37 HB3 LYS 6 HB3 LYS 6 -5.158 -6.655 -2.701 38 HG2 LYS 6 HG2 LYS 6 -6.584 -8.646 -2.981 39 HG3 LYS 6 HG3 LYS 6 -7.315 -7.940 -4.427 40 HD2 LYS 6 HD2 LYS 6 -5.050 -7.943 -5.523 41 HD3 LYS 6 HD3 LYS 6 -4.401 -8.797 -4.117 42 HE2 LYS 6 HE2 LYS 6 -6.738 -9.741 -5.839 43 HE3 LYS 6 HE3 LYS 6 -5.074 -10.303 -6.041 44 HZ1 LYS 6 HZ1 LYS 6 -5.152 -11.416 -3.990 45 HZ2 LYS 6 HZ2 LYS 6 -6.624 -11.709 -4.639 46 HZ3 LYS 6 HZ3 LYS 6 -6.494 -10.614 -3.458 47 H TRP 7 H TRP 7 -7.173 -4.463 -0.461 48 HA TRP 7 HA TRP 7 -7.439 -6.612 1.552 49 HB2 TRP 7 HB2 TRP 7 -5.081 -6.632 0.672 50 HB3 TRP 7 HB3 TRP 7 -4.918 -4.960 1.176 51 HD1 TRP 7 HD1 TRP 7 -4.662 -4.538 3.838 52 HE1 TRP 7 HE1 TRP 7 -3.917 -6.063 5.766 53 HE3 TRP 7 HE3 TRP 7 -5.403 -9.075 1.590 54 HZ2 TRP 7 HZ2 TRP 7 -3.478 -8.893 6.172 55 HZ3 TRP 7 HZ3 TRP 7 -4.864 -11.177 2.804 56 HH2 TRP 7 HH2 TRP 7 -3.901 -11.101 5.084 57 H MET 8 H MET 8 -7.873 -5.727 3.670 58 HA MET 8 HA MET 8 -9.070 -3.096 3.642 59 HB2 MET 8 HB2 MET 8 -8.580 -5.040 5.922 60 HB3 MET 8 HB3 MET 8 -9.505 -3.536 6.048 61 HG2 MET 8 HG2 MET 8 -11.052 -4.364 4.266 62 HG3 MET 8 HG3 MET 8 -10.175 -5.893 4.258 63 HE1 MET 8 HE1 MET 8 -13.340 -4.417 5.352 64 HE2 MET 8 HE2 MET 8 -13.436 -4.560 7.119 65 HE3 MET 8 HE3 MET 8 -12.309 -3.398 6.384 66 H GLN 9 H GLN 9 -7.352 -1.684 3.086 67 HA GLN 9 HA GLN 9 -5.073 -1.254 4.719 68 HB2 GLN 9 HB2 GLN 9 -4.676 0.686 3.432 69 HB3 GLN 9 HB3 GLN 9 -5.319 -0.549 2.370 70 HG2 GLN 9 HG2 GLN 9 -7.470 0.574 2.218 71 HG3 GLN 9 HG3 GLN 9 -7.008 1.721 3.476 72 HE21 GLN 9 HE21 GLN 9 -4.500 2.635 2.744 73 HE22 GLN 9 HE22 GLN 9 -4.607 3.408 1.177 74 H THR 10 H THR 10 -8.153 -0.643 5.808 75 HA THR 10 HA THR 10 -9.234 0.873 7.080 76 HB THR 10 HB THR 10 -6.724 1.479 8.589 77 HG1 THR 10 HG1 THR 10 -6.601 -0.544 8.780 78 HG21 THR 10 HG21 THR 10 -8.389 1.570 10.438 79 HG22 THR 10 HG22 THR 10 -9.685 1.112 9.323 80 HG23 THR 10 HG23 THR 10 -8.870 2.676 9.155 81 H CYS 11 H CYS 11 -9.349 1.969 5.030 82 HA CYS 11 HA CYS 11 -7.809 4.344 4.512 83 HB2 CYS 11 HB2 CYS 11 -9.095 2.779 2.879 84 HB3 CYS 11 HB3 CYS 11 -10.487 3.804 3.234 85 H ASP 12 H ASP 12 -7.942 5.315 6.565 86 HA ASP 12 HA ASP 12 -10.179 7.078 7.180 87 HB2 ASP 12 HB2 ASP 12 -7.290 6.898 8.064 88 HB3 ASP 12 HB3 ASP 12 -8.310 8.280 8.465 89 H SER 13 H SER 13 -10.392 9.278 6.669 90 HA SER 13 HA SER 13 -9.584 9.881 3.996 91 HB2 SER 13 HB2 SER 13 -11.777 10.395 4.932 92 HB3 SER 13 HB3 SER 13 -11.068 11.629 5.976 93 HG SER 13 HG SER 13 -10.273 12.612 4.024 94 H GLU 14 H GLU 14 -7.388 9.943 6.084 95 HA GLU 14 HA GLU 14 -6.019 12.421 5.091 96 HB2 GLU 14 HB2 GLU 14 -4.414 12.121 6.897 97 HB3 GLU 14 HB3 GLU 14 -6.039 12.348 7.529 98 HG2 GLU 14 HG2 GLU 14 -6.256 9.905 7.919 99 HG3 GLU 14 HG3 GLU 14 -4.644 9.647 7.253 100 H ARG 15 H ARG 15 -6.427 9.163 4.463 101 HA ARG 15 HA ARG 15 -3.599 8.492 4.087 102 HB2 ARG 15 HB2 ARG 15 -5.424 7.126 5.300 103 HB3 ARG 15 HB3 ARG 15 -5.995 6.667 3.688 104 HG2 ARG 15 HG2 ARG 15 -3.721 5.666 3.221 105 HG3 ARG 15 HG3 ARG 15 -3.184 6.225 4.810 106 HD2 ARG 15 HD2 ARG 15 -5.311 4.950 5.690 107 HD3 ARG 15 HD3 ARG 15 -5.225 4.089 4.119 108 HE ARG 15 HE ARG 15 -2.720 3.743 4.787 109 HH11 ARG 15 HH11 ARG 15 -5.404 3.494 7.017 110 HH12 ARG 15 HH12 ARG 15 -4.371 3.069 8.350 111 HH21 ARG 15 HH21 ARG 15 -1.492 2.914 6.623 112 HH22 ARG 15 HH22 ARG 15 -2.395 2.586 8.085 113 H LYS 16 H LYS 16 -2.681 7.735 2.277 114 HA LYS 16 HA LYS 16 -3.729 8.124 -0.392 115 HB2 LYS 16 HB2 LYS 16 -1.807 6.700 -1.079 116 HB3 LYS 16 HB3 LYS 16 -1.431 8.155 -0.165 117 HG2 LYS 16 HG2 LYS 16 -1.130 6.709 1.910 118 HG3 LYS 16 HG3 LYS 16 -1.361 5.292 0.891 119 HD2 LYS 16 HD2 LYS 16 1.018 5.745 1.309 120 HD3 LYS 16 HD3 LYS 16 0.623 5.818 -0.405 121 HE2 LYS 16 HE2 LYS 16 2.181 7.609 0.202 122 HE3 LYS 16 HE3 LYS 16 0.650 8.267 -0.368 123 HZ1 LYS 16 HZ1 LYS 16 0.033 8.568 2.039 124 HZ2 LYS 16 HZ2 LYS 16 1.313 9.462 1.585 125 HZ3 LYS 16 HZ3 LYS 16 1.543 8.098 2.460 126 H CYS 17 H CYS 17 -5.722 7.312 -0.523 127 HA CYS 17 HA CYS 17 -6.560 4.573 -0.224 128 HB2 CYS 17 HB2 CYS 17 -8.198 6.298 -0.646 129 HB3 CYS 17 HB3 CYS 17 -7.338 6.840 -2.085 130 H CYS 18 H CYS 18 -6.115 2.840 -1.450 131 HA CYS 18 HA CYS 18 -3.755 2.579 -2.636 132 HB2 CYS 18 HB2 CYS 18 -5.739 0.894 -2.051 133 HB3 CYS 18 HB3 CYS 18 -5.913 0.867 -3.802 134 H GLU 19 H GLU 19 -6.672 2.972 -4.760 135 HA GLU 19 HA GLU 19 -4.826 3.604 -7.040 136 HB2 GLU 19 HB2 GLU 19 -7.768 3.099 -7.360 137 HB3 GLU 19 HB3 GLU 19 -6.486 2.932 -8.530 138 HG2 GLU 19 HG2 GLU 19 -7.096 1.056 -6.209 139 HG3 GLU 19 HG3 GLU 19 -7.396 0.763 -7.914 140 H GLY 20 H GLY 20 -6.727 5.196 -4.768 141 HA2 GLY 20 HA2 GLY 20 -7.133 7.485 -4.626 142 HA3 GLY 20 HA3 GLY 20 -6.930 7.670 -6.368 143 H MET 21 H MET 21 -9.172 5.199 -5.216 144 HA MET 21 HA MET 21 -11.467 6.757 -6.148 145 HB2 MET 21 HB2 MET 21 -12.807 4.789 -5.618 146 HB3 MET 21 HB3 MET 21 -11.533 4.464 -6.759 147 HG2 MET 21 HG2 MET 21 -11.113 3.897 -3.819 148 HG3 MET 21 HG3 MET 21 -12.045 2.786 -4.810 149 HE1 MET 21 HE1 MET 21 -9.555 1.239 -7.296 150 HE2 MET 21 HE2 MET 21 -11.136 1.110 -6.514 151 HE3 MET 21 HE3 MET 21 -10.774 2.493 -7.581 152 H VAL 22 H VAL 22 -13.521 6.462 -4.584 153 HA VAL 22 HA VAL 22 -13.113 8.205 -2.372 154 HB VAL 22 HB VAL 22 -15.473 7.367 -1.698 155 HG11 VAL 22 HG11 VAL 22 -15.034 8.793 -4.341 156 HG12 VAL 22 HG12 VAL 22 -16.472 8.891 -3.294 157 HG13 VAL 22 HG13 VAL 22 -14.925 9.527 -2.727 158 HG21 VAL 22 HG21 VAL 22 -16.844 6.431 -3.434 159 HG22 VAL 22 HG22 VAL 22 -15.469 6.342 -4.556 160 HG23 VAL 22 HG23 VAL 22 -15.517 5.305 -3.107 161 H CYS 23 H CYS 23 -12.093 7.783 -0.666 162 HA CYS 23 HA CYS 23 -11.438 5.221 0.426 163 HB2 CYS 23 HB2 CYS 23 -10.085 7.297 0.293 164 HB3 CYS 23 HB3 CYS 23 -11.189 8.097 1.391 165 H ARG 24 H ARG 24 -12.806 3.954 1.673 166 HA ARG 24 HA ARG 24 -14.135 5.160 4.054 167 HB2 ARG 24 HB2 ARG 24 -15.676 3.489 2.011 168 HB3 ARG 24 HB3 ARG 24 -16.169 3.750 3.666 169 HG2 ARG 24 HG2 ARG 24 -17.437 5.358 2.799 170 HG3 ARG 24 HG3 ARG 24 -15.976 6.339 3.026 171 HD2 ARG 24 HD2 ARG 24 -15.326 5.796 0.640 172 HD3 ARG 24 HD3 ARG 24 -16.776 4.800 0.491 173 HE ARG 24 HE ARG 24 -18.141 6.699 0.493 174 HH11 ARG 24 HH11 ARG 24 -14.889 7.755 1.471 175 HH12 ARG 24 HH12 ARG 24 -15.189 9.369 0.873 176 HH21 ARG 24 HH21 ARG 24 -18.395 8.786 -0.101 177 HH22 ARG 24 HH22 ARG 24 -17.095 9.964 0.114 178 H LEU 25 H LEU 25 -12.471 4.087 5.183 179 HA LEU 25 HA LEU 25 -11.366 2.451 6.280 180 HB2 LEU 25 HB2 LEU 25 -13.888 0.809 5.963 181 HB3 LEU 25 HB3 LEU 25 -12.574 0.483 7.082 182 HG LEU 25 HG LEU 25 -14.355 2.962 7.147 183 HD11 LEU 25 HD11 LEU 25 -14.256 0.470 8.882 184 HD12 LEU 25 HD12 LEU 25 -15.555 0.934 7.770 185 HD13 LEU 25 HD13 LEU 25 -15.242 1.907 9.219 186 HD21 LEU 25 HD21 LEU 25 -13.313 3.296 9.406 187 HD22 LEU 25 HD22 LEU 25 -12.161 3.504 8.095 188 HD23 LEU 25 HD23 LEU 25 -12.158 1.997 9.040 189 H TRP 26 H TRP 26 -12.434 1.571 3.130 190 HA TRP 26 HA TRP 26 -9.830 0.304 2.639 191 HB2 TRP 26 HB2 TRP 26 -11.253 -1.408 1.193 192 HB3 TRP 26 HB3 TRP 26 -10.868 -1.681 2.863 193 HD1 TRP 26 HD1 TRP 26 -12.729 -2.162 4.474 194 HE1 TRP 26 HE1 TRP 26 -15.291 -2.078 4.504 195 HE3 TRP 26 HE3 TRP 26 -13.498 0.451 0.135 196 HZ2 TRP 26 HZ2 TRP 26 -17.390 -1.037 2.851 197 HZ3 TRP 26 HZ3 TRP 26 -15.780 1.100 -0.532 198 HH2 TRP 26 HH2 TRP 26 -17.740 0.388 0.823 199 H CYS 27 H CYS 27 -9.579 -0.032 0.215 200 HA CYS 27 HA CYS 27 -11.365 1.703 -1.405 201 HB2 CYS 27 HB2 CYS 27 -8.359 1.587 -1.484 202 HB3 CYS 27 HB3 CYS 27 -9.315 1.992 -2.916 203 H LYS 28 H LYS 28 -12.013 -0.682 -0.680 204 HA LYS 28 HA LYS 28 -11.244 -3.038 -1.700 205 HB2 LYS 28 HB2 LYS 28 -12.943 -2.625 0.012 206 HB3 LYS 28 HB3 LYS 28 -14.101 -2.090 -1.201 207 HG2 LYS 28 HG2 LYS 28 -14.182 -4.325 -2.163 208 HG3 LYS 28 HG3 LYS 28 -12.869 -4.858 -1.106 209 HD2 LYS 28 HD2 LYS 28 -14.373 -4.288 0.879 210 HD3 LYS 28 HD3 LYS 28 -15.697 -4.111 -0.277 211 HE2 LYS 28 HE2 LYS 28 -13.987 -6.611 0.164 212 HE3 LYS 28 HE3 LYS 28 -15.615 -6.355 0.796 213 HZ1 LYS 28 HZ1 LYS 28 -15.720 -7.679 -1.181 214 HZ2 LYS 28 HZ2 LYS 28 -14.879 -6.603 -2.074 215 HZ3 LYS 28 HZ3 LYS 28 -16.404 -6.248 -1.533 216 H LYS 29 H LYS 29 -13.955 -1.361 -3.296 217 HA LYS 29 HA LYS 29 -12.256 -0.613 -5.321 218 HB2 LYS 29 HB2 LYS 29 -13.164 -3.128 -6.098 219 HB3 LYS 29 HB3 LYS 29 -14.383 -2.091 -6.832 220 HG2 LYS 29 HG2 LYS 29 -12.453 -0.679 -7.770 221 HG3 LYS 29 HG3 LYS 29 -11.351 -1.921 -7.173 222 HD2 LYS 29 HD2 LYS 29 -13.529 -2.199 -9.277 223 HD3 LYS 29 HD3 LYS 29 -11.802 -2.245 -9.549 224 HE2 LYS 29 HE2 LYS 29 -13.468 -4.329 -8.093 225 HE3 LYS 29 HE3 LYS 29 -12.743 -4.469 -9.690 226 HZ1 LYS 29 HZ1 LYS 29 -10.533 -4.150 -8.500 227 HZ2 LYS 29 HZ2 LYS 29 -11.320 -5.596 -8.226 228 HZ3 LYS 29 HZ3 LYS 29 -11.314 -4.439 -7.091 229 H LYS 30 H LYS 30 -13.146 1.103 -6.533 230 HA LYS 30 HA LYS 30 -15.989 1.435 -6.888 231 HB2 LYS 30 HB2 LYS 30 -15.541 2.367 -4.518 232 HB3 LYS 30 HB3 LYS 30 -14.731 3.708 -5.288 233 HG2 LYS 30 HG2 LYS 30 -17.611 2.834 -5.795 234 HG3 LYS 30 HG3 LYS 30 -17.101 4.069 -4.647 235 HD2 LYS 30 HD2 LYS 30 -16.310 5.505 -6.510 236 HD3 LYS 30 HD3 LYS 30 -16.801 4.257 -7.665 237 HE2 LYS 30 HE2 LYS 30 -18.486 5.966 -7.606 238 HE3 LYS 30 HE3 LYS 30 -19.114 4.428 -7.024 239 HZ1 LYS 30 HZ1 LYS 30 -18.882 5.278 -4.735 240 HZ2 LYS 30 HZ2 LYS 30 -19.895 6.153 -5.658 241 HZ3 LYS 30 HZ3 LYS 30 -18.424 6.778 -5.339 242 H LEU 31 H LEU 31 -14.793 1.062 -8.960 243 HA LEU 31 HA LEU 31 -14.773 3.588 -10.348 244 HB2 LEU 31 HB2 LEU 31 -12.407 3.383 -9.615 245 HB3 LEU 31 HB3 LEU 31 -12.268 1.864 -10.474 246 HG LEU 31 HG LEU 31 -11.232 3.810 -11.591 247 HD11 LEU 31 HD11 LEU 31 -11.884 3.369 -13.824 248 HD12 LEU 31 HD12 LEU 31 -13.467 2.765 -13.337 249 HD13 LEU 31 HD13 LEU 31 -12.012 1.850 -12.920 250 HD21 LEU 31 HD21 LEU 31 -12.510 5.518 -12.708 251 HD22 LEU 31 HD22 LEU 31 -12.877 5.547 -10.980 252 HD23 LEU 31 HD23 LEU 31 -14.039 4.840 -12.128 253 H LEU 32 H LEU 32 -16.139 3.193 -11.993 254 HA LEU 32 HA LEU 32 -17.119 0.651 -12.596 255 HB2 LEU 32 HB2 LEU 32 -18.424 1.690 -14.241 256 HB3 LEU 32 HB3 LEU 32 -18.151 2.904 -13.013 257 HG LEU 32 HG LEU 32 -18.037 4.040 -15.004 258 HD11 LEU 32 HD11 LEU 32 -16.129 4.690 -13.585 259 HD12 LEU 32 HD12 LEU 32 -15.888 5.009 -15.299 260 HD13 LEU 32 HD13 LEU 32 -15.074 3.635 -14.559 261 HD21 LEU 32 HD21 LEU 32 -17.883 2.109 -16.548 262 HD22 LEU 32 HD22 LEU 32 -16.122 2.122 -16.368 263 HD23 LEU 32 HD23 LEU 32 -16.951 3.520 -17.037 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 0.346 -4.671 6.003 2 H2 GLY 1 H2 GLY 1 1.669 -5.089 5.123 3 H3 GLY 1 H3 GLY 1 0.763 -3.803 4.657 4 HA2 GLY 1 HA2 GLY 1 -0.112 -6.617 4.682 5 HA3 GLY 1 HA3 GLY 1 -1.114 -5.229 4.192 6 HA PRO 2 HA PRO 2 2.078 -6.760 0.836 7 HB2 PRO 2 HB2 PRO 2 0.822 -8.844 -0.450 8 HB3 PRO 2 HB3 PRO 2 1.871 -9.041 0.985 9 HG2 PRO 2 HG2 PRO 2 -1.160 -8.839 0.946 10 HG3 PRO 2 HG3 PRO 2 -0.146 -10.085 1.739 11 HD2 PRO 2 HD2 PRO 2 -1.078 -7.970 3.128 12 HD3 PRO 2 HD3 PRO 2 0.587 -8.561 3.395 13 H TYR 3 H TYR 3 -1.318 -6.099 0.850 14 HA TYR 3 HA TYR 3 -1.100 -4.618 -1.694 15 HB2 TYR 3 HB2 TYR 3 -3.404 -6.455 -0.966 16 HB3 TYR 3 HB3 TYR 3 -3.409 -5.309 -2.299 17 HD1 TYR 3 HD1 TYR 3 -2.168 -8.554 -1.085 18 HD2 TYR 3 HD2 TYR 3 -1.962 -5.682 -4.291 19 HE1 TYR 3 HE1 TYR 3 -0.861 -10.164 -2.452 20 HE2 TYR 3 HE2 TYR 3 -0.683 -7.301 -5.662 21 HH TYR 3 HH TYR 3 0.506 -9.285 -5.609 22 H CYS 4 H CYS 4 -3.097 -3.029 -1.837 23 HA CYS 4 HA CYS 4 -3.709 -2.039 0.904 24 HB2 CYS 4 HB2 CYS 4 -3.681 0.302 -0.242 25 HB3 CYS 4 HB3 CYS 4 -2.307 -0.423 0.530 26 H GLN 5 H GLN 5 -4.897 -1.335 -2.408 27 HA GLN 5 HA GLN 5 -7.573 -0.872 -1.592 28 HB2 GLN 5 HB2 GLN 5 -7.281 -0.052 -3.627 29 HB3 GLN 5 HB3 GLN 5 -6.079 -1.226 -4.112 30 HG2 GLN 5 HG2 GLN 5 -9.008 -1.993 -4.024 31 HG3 GLN 5 HG3 GLN 5 -8.359 -1.059 -5.363 32 HE21 GLN 5 HE21 GLN 5 -5.821 -2.333 -5.835 33 HE22 GLN 5 HE22 GLN 5 -6.194 -3.980 -6.283 34 H LYS 6 H LYS 6 -6.242 -3.832 -3.058 35 HA LYS 6 HA LYS 6 -8.497 -5.473 -2.468 36 HB2 LYS 6 HB2 LYS 6 -6.455 -5.648 -4.202 37 HB3 LYS 6 HB3 LYS 6 -5.750 -6.639 -2.920 38 HG2 LYS 6 HG2 LYS 6 -7.883 -8.034 -2.976 39 HG3 LYS 6 HG3 LYS 6 -8.429 -7.045 -4.334 40 HD2 LYS 6 HD2 LYS 6 -6.349 -7.722 -5.596 41 HD3 LYS 6 HD3 LYS 6 -5.926 -8.790 -4.255 42 HE2 LYS 6 HE2 LYS 6 -8.403 -8.969 -6.031 43 HE3 LYS 6 HE3 LYS 6 -6.998 -10.032 -6.074 44 HZ1 LYS 6 HZ1 LYS 6 -8.908 -9.811 -3.813 45 HZ2 LYS 6 HZ2 LYS 6 -7.538 -10.704 -3.778 46 HZ3 LYS 6 HZ3 LYS 6 -8.734 -11.087 -4.844 47 H TRP 7 H TRP 7 -6.771 -4.157 -0.128 48 HA TRP 7 HA TRP 7 -6.623 -6.578 1.631 49 HB2 TRP 7 HB2 TRP 7 -4.453 -5.856 0.796 50 HB3 TRP 7 HB3 TRP 7 -4.745 -4.223 1.366 51 HD1 TRP 7 HD1 TRP 7 -4.251 -3.718 3.897 52 HE1 TRP 7 HE1 TRP 7 -3.255 -5.050 5.858 53 HE3 TRP 7 HE3 TRP 7 -4.311 -8.391 1.815 54 HZ2 TRP 7 HZ2 TRP 7 -2.447 -7.757 6.395 55 HZ3 TRP 7 HZ3 TRP 7 -3.516 -10.342 3.127 56 HH2 TRP 7 HH2 TRP 7 -2.562 -10.034 5.383 57 H MET 8 H MET 8 -8.271 -3.694 1.223 58 HA MET 8 HA MET 8 -9.421 -2.287 2.595 59 HB2 MET 8 HB2 MET 8 -9.441 -4.607 4.567 60 HB3 MET 8 HB3 MET 8 -10.466 -3.178 4.618 61 HG2 MET 8 HG2 MET 8 -11.177 -3.800 2.223 62 HG3 MET 8 HG3 MET 8 -10.445 -5.375 2.527 63 HE1 MET 8 HE1 MET 8 -11.103 -5.999 5.555 64 HE2 MET 8 HE2 MET 8 -12.659 -6.837 5.401 65 HE3 MET 8 HE3 MET 8 -11.369 -7.156 4.230 66 H GLN 9 H GLN 9 -7.044 -1.517 2.457 67 HA GLN 9 HA GLN 9 -5.298 -1.229 4.557 68 HB2 GLN 9 HB2 GLN 9 -4.413 0.632 3.208 69 HB3 GLN 9 HB3 GLN 9 -4.828 -0.751 2.228 70 HG2 GLN 9 HG2 GLN 9 -6.870 0.273 1.400 71 HG3 GLN 9 HG3 GLN 9 -6.803 1.552 2.608 72 HE21 GLN 9 HE21 GLN 9 -4.273 2.562 2.455 73 HE22 GLN 9 HE22 GLN 9 -4.082 3.283 0.865 74 H THR 10 H THR 10 -7.864 -0.590 5.836 75 HA THR 10 HA THR 10 -8.774 0.869 7.330 76 HB THR 10 HB THR 10 -6.087 1.792 8.232 77 HG1 THR 10 HG1 THR 10 -6.792 -0.951 8.194 78 HG21 THR 10 HG21 THR 10 -8.344 0.182 9.488 79 HG22 THR 10 HG22 THR 10 -8.128 1.948 9.636 80 HG23 THR 10 HG23 THR 10 -6.961 0.821 10.360 81 H CYS 11 H CYS 11 -9.360 2.044 5.302 82 HA CYS 11 HA CYS 11 -7.846 4.305 4.470 83 HB2 CYS 11 HB2 CYS 11 -9.346 2.544 3.193 84 HB3 CYS 11 HB3 CYS 11 -10.571 3.804 3.341 85 H ASP 12 H ASP 12 -7.949 5.314 6.558 86 HA ASP 12 HA ASP 12 -10.103 6.929 7.509 87 HB2 ASP 12 HB2 ASP 12 -7.137 6.667 7.941 88 HB3 ASP 12 HB3 ASP 12 -7.991 8.014 8.661 89 H SER 13 H SER 13 -9.608 9.401 7.975 90 HA SER 13 HA SER 13 -10.128 10.761 5.543 91 HB2 SER 13 HB2 SER 13 -10.901 11.622 7.623 92 HB3 SER 13 HB3 SER 13 -9.259 11.817 8.235 93 HG SER 13 HG SER 13 -9.161 13.262 6.139 94 H GLU 14 H GLU 14 -6.917 10.277 7.082 95 HA GLU 14 HA GLU 14 -5.624 12.137 5.223 96 HB2 GLU 14 HB2 GLU 14 -4.873 11.154 7.603 97 HB3 GLU 14 HB3 GLU 14 -4.216 9.857 6.613 98 HG2 GLU 14 HG2 GLU 14 -2.428 11.338 6.912 99 HG3 GLU 14 HG3 GLU 14 -2.979 11.677 5.274 100 H ARG 15 H ARG 15 -6.780 8.873 4.964 101 HA ARG 15 HA ARG 15 -4.192 7.895 4.322 102 HB2 ARG 15 HB2 ARG 15 -6.191 6.990 5.792 103 HB3 ARG 15 HB3 ARG 15 -6.604 6.086 4.346 104 HG2 ARG 15 HG2 ARG 15 -3.792 6.125 5.564 105 HG3 ARG 15 HG3 ARG 15 -5.054 5.037 6.147 106 HD2 ARG 15 HD2 ARG 15 -5.206 3.864 4.084 107 HD3 ARG 15 HD3 ARG 15 -4.298 5.134 3.199 108 HE ARG 15 HE ARG 15 -2.314 4.145 3.843 109 HH11 ARG 15 HH11 ARG 15 -4.651 2.671 6.015 110 HH12 ARG 15 HH12 ARG 15 -3.392 2.333 7.199 111 HH21 ARG 15 HH21 ARG 15 -0.853 3.338 5.216 112 HH22 ARG 15 HH22 ARG 15 -1.376 2.540 6.698 113 H LYS 16 H LYS 16 -3.372 8.131 2.466 114 HA LYS 16 HA LYS 16 -4.187 8.178 -0.122 115 HB2 LYS 16 HB2 LYS 16 -1.948 7.181 -0.661 116 HB3 LYS 16 HB3 LYS 16 -1.924 8.500 0.502 117 HG2 LYS 16 HG2 LYS 16 -1.854 6.707 2.368 118 HG3 LYS 16 HG3 LYS 16 -1.533 5.529 1.103 119 HD2 LYS 16 HD2 LYS 16 0.143 8.028 1.507 120 HD3 LYS 16 HD3 LYS 16 0.415 6.500 2.362 121 HE2 LYS 16 HE2 LYS 16 0.668 5.306 0.214 122 HE3 LYS 16 HE3 LYS 16 0.416 6.821 -0.672 123 HZ1 LYS 16 HZ1 LYS 16 2.412 7.689 0.249 124 HZ2 LYS 16 HZ2 LYS 16 2.770 6.177 -0.325 125 HZ3 LYS 16 HZ3 LYS 16 2.596 6.428 1.299 126 H CYS 17 H CYS 17 -5.902 6.993 -0.872 127 HA CYS 17 HA CYS 17 -5.959 4.119 -0.612 128 HB2 CYS 17 HB2 CYS 17 -8.034 5.158 -0.883 129 HB3 CYS 17 HB3 CYS 17 -7.550 5.972 -2.375 130 H CYS 18 H CYS 18 -5.020 2.636 -1.710 131 HA CYS 18 HA CYS 18 -2.869 2.545 -3.289 132 HB2 CYS 18 HB2 CYS 18 -4.797 0.830 -2.365 133 HB3 CYS 18 HB3 CYS 18 -5.091 0.724 -4.081 134 H GLU 19 H GLU 19 -6.169 2.639 -4.705 135 HA GLU 19 HA GLU 19 -5.064 3.423 -7.365 136 HB2 GLU 19 HB2 GLU 19 -7.860 2.443 -7.071 137 HB3 GLU 19 HB3 GLU 19 -6.754 2.241 -8.412 138 HG2 GLU 19 HG2 GLU 19 -6.755 0.719 -5.775 139 HG3 GLU 19 HG3 GLU 19 -7.416 0.146 -7.285 140 H GLY 20 H GLY 20 -6.386 5.007 -4.789 141 HA2 GLY 20 HA2 GLY 20 -7.565 6.977 -4.554 142 HA3 GLY 20 HA3 GLY 20 -7.431 7.180 -6.301 143 H MET 21 H MET 21 -9.169 4.372 -5.066 144 HA MET 21 HA MET 21 -11.708 5.313 -6.228 145 HB2 MET 21 HB2 MET 21 -11.210 2.883 -4.459 146 HB3 MET 21 HB3 MET 21 -12.632 3.194 -5.433 147 HG2 MET 21 HG2 MET 21 -9.857 2.787 -6.580 148 HG3 MET 21 HG3 MET 21 -11.010 1.508 -6.320 149 HE1 MET 21 HE1 MET 21 -10.561 5.047 -8.156 150 HE2 MET 21 HE2 MET 21 -9.480 3.741 -8.695 151 HE3 MET 21 HE3 MET 21 -10.710 4.381 -9.790 152 H VAL 22 H VAL 22 -13.691 4.895 -4.648 153 HA VAL 22 HA VAL 22 -13.906 6.779 -2.595 154 HB VAL 22 HB VAL 22 -15.365 4.117 -2.869 155 HG11 VAL 22 HG11 VAL 22 -16.131 6.632 -1.321 156 HG12 VAL 22 HG12 VAL 22 -17.193 5.241 -1.609 157 HG13 VAL 22 HG13 VAL 22 -15.747 5.030 -0.629 158 HG21 VAL 22 HG21 VAL 22 -16.134 6.892 -3.855 159 HG22 VAL 22 HG22 VAL 22 -15.581 5.546 -4.871 160 HG23 VAL 22 HG23 VAL 22 -17.098 5.401 -3.991 161 H CYS 23 H CYS 23 -12.662 6.953 -0.888 162 HA CYS 23 HA CYS 23 -11.675 4.589 0.617 163 HB2 CYS 23 HB2 CYS 23 -10.053 6.126 -0.356 164 HB3 CYS 23 HB3 CYS 23 -10.840 7.496 0.408 165 H ARG 24 H ARG 24 -12.974 4.050 2.245 166 HA ARG 24 HA ARG 24 -13.406 5.849 4.507 167 HB2 ARG 24 HB2 ARG 24 -15.836 4.578 3.161 168 HB3 ARG 24 HB3 ARG 24 -15.803 5.208 4.792 169 HG2 ARG 24 HG2 ARG 24 -16.743 7.008 3.897 170 HG3 ARG 24 HG3 ARG 24 -15.084 7.487 3.502 171 HD2 ARG 24 HD2 ARG 24 -15.367 6.361 1.257 172 HD3 ARG 24 HD3 ARG 24 -16.989 5.847 1.729 173 HE ARG 24 HE ARG 24 -17.749 8.115 1.767 174 HH11 ARG 24 HH11 ARG 24 -14.370 8.072 0.884 175 HH12 ARG 24 HH12 ARG 24 -14.563 9.398 -0.270 176 HH21 ARG 24 HH21 ARG 24 -17.872 9.919 0.421 177 HH22 ARG 24 HH22 ARG 24 -16.384 10.602 -0.191 178 H LEU 25 H LEU 25 -12.129 4.459 5.672 179 HA LEU 25 HA LEU 25 -11.431 2.669 6.888 180 HB2 LEU 25 HB2 LEU 25 -14.077 1.277 6.449 181 HB3 LEU 25 HB3 LEU 25 -12.928 1.028 7.746 182 HG LEU 25 HG LEU 25 -14.598 3.547 7.307 183 HD11 LEU 25 HD11 LEU 25 -15.935 1.631 8.013 184 HD12 LEU 25 HD12 LEU 25 -15.834 2.862 9.276 185 HD13 LEU 25 HD13 LEU 25 -14.859 1.386 9.411 186 HD21 LEU 25 HD21 LEU 25 -12.430 4.047 8.435 187 HD22 LEU 25 HD22 LEU 25 -12.781 2.757 9.619 188 HD23 LEU 25 HD23 LEU 25 -13.789 4.210 9.536 189 H TRP 26 H TRP 26 -12.969 1.722 3.865 190 HA TRP 26 HA TRP 26 -10.523 0.254 3.121 191 HB2 TRP 26 HB2 TRP 26 -12.101 -1.427 1.950 192 HB3 TRP 26 HB3 TRP 26 -11.736 -1.569 3.648 193 HD1 TRP 26 HD1 TRP 26 -13.635 -1.671 5.322 194 HE1 TRP 26 HE1 TRP 26 -16.189 -1.394 5.270 195 HE3 TRP 26 HE3 TRP 26 -14.165 0.261 0.601 196 HZ2 TRP 26 HZ2 TRP 26 -18.171 -0.358 3.491 197 HZ3 TRP 26 HZ3 TRP 26 -16.402 0.938 -0.218 198 HH2 TRP 26 HH2 TRP 26 -18.409 0.642 1.205 199 H CYS 27 H CYS 27 -10.654 -0.284 0.641 200 HA CYS 27 HA CYS 27 -11.964 1.813 -0.937 201 HB2 CYS 27 HB2 CYS 27 -9.843 2.769 0.099 202 HB3 CYS 27 HB3 CYS 27 -8.931 1.627 -0.892 203 H LYS 28 H LYS 28 -12.993 -0.065 -1.865 204 HA LYS 28 HA LYS 28 -11.353 -2.218 -3.018 205 HB2 LYS 28 HB2 LYS 28 -14.363 -1.841 -2.787 206 HB3 LYS 28 HB3 LYS 28 -13.636 -3.107 -3.766 207 HG2 LYS 28 HG2 LYS 28 -14.157 -4.166 -1.817 208 HG3 LYS 28 HG3 LYS 28 -12.410 -3.941 -1.729 209 HD2 LYS 28 HD2 LYS 28 -12.746 -2.052 -0.172 210 HD3 LYS 28 HD3 LYS 28 -14.500 -2.217 -0.305 211 HE2 LYS 28 HE2 LYS 28 -12.643 -4.424 0.679 212 HE3 LYS 28 HE3 LYS 28 -13.446 -3.274 1.760 213 HZ1 LYS 28 HZ1 LYS 28 -14.645 -5.388 1.534 214 HZ2 LYS 28 HZ2 LYS 28 -14.915 -5.112 -0.052 215 HZ3 LYS 28 HZ3 LYS 28 -15.569 -4.115 1.068 216 H LYS 29 H LYS 29 -14.134 -0.843 -4.722 217 HA LYS 29 HA LYS 29 -12.571 0.297 -6.867 218 HB2 LYS 29 HB2 LYS 29 -12.851 -2.433 -7.082 219 HB3 LYS 29 HB3 LYS 29 -14.275 -1.918 -7.949 220 HG2 LYS 29 HG2 LYS 29 -13.051 -0.832 -9.614 221 HG3 LYS 29 HG3 LYS 29 -11.639 -0.548 -8.597 222 HD2 LYS 29 HD2 LYS 29 -12.368 -3.393 -9.301 223 HD3 LYS 29 HD3 LYS 29 -11.596 -2.365 -10.498 224 HE2 LYS 29 HE2 LYS 29 -9.902 -3.652 -9.384 225 HE3 LYS 29 HE3 LYS 29 -9.686 -1.940 -9.009 226 HZ1 LYS 29 HZ1 LYS 29 -10.587 -2.325 -6.814 227 HZ2 LYS 29 HZ2 LYS 29 -9.485 -3.508 -7.049 228 HZ3 LYS 29 HZ3 LYS 29 -11.069 -3.841 -7.188 229 H LYS 30 H LYS 30 -13.736 1.749 -7.979 230 HA LYS 30 HA LYS 30 -16.596 1.700 -8.259 231 HB2 LYS 30 HB2 LYS 30 -16.188 2.403 -5.762 232 HB3 LYS 30 HB3 LYS 30 -15.566 3.899 -6.424 233 HG2 LYS 30 HG2 LYS 30 -17.872 4.214 -5.794 234 HG3 LYS 30 HG3 LYS 30 -17.813 4.245 -7.549 235 HD2 LYS 30 HD2 LYS 30 -18.302 1.548 -6.992 236 HD3 LYS 30 HD3 LYS 30 -19.155 2.366 -5.694 237 HE2 LYS 30 HE2 LYS 30 -20.563 3.562 -7.200 238 HE3 LYS 30 HE3 LYS 30 -19.466 3.302 -8.564 239 HZ1 LYS 30 HZ1 LYS 30 -21.358 1.809 -8.735 240 HZ2 LYS 30 HZ2 LYS 30 -21.013 1.147 -7.250 241 HZ3 LYS 30 HZ3 LYS 30 -19.977 0.967 -8.517 242 H LEU 31 H LEU 31 -14.726 1.832 -10.209 243 HA LEU 31 HA LEU 31 -15.379 4.322 -11.517 244 HB2 LEU 31 HB2 LEU 31 -13.294 4.872 -10.136 245 HB3 LEU 31 HB3 LEU 31 -12.434 3.676 -11.106 246 HG LEU 31 HG LEU 31 -12.843 5.051 -13.148 247 HD11 LEU 31 HD11 LEU 31 -13.669 7.386 -12.827 248 HD12 LEU 31 HD12 LEU 31 -14.147 6.972 -11.167 249 HD13 LEU 31 HD13 LEU 31 -14.932 6.193 -12.562 250 HD21 LEU 31 HD21 LEU 31 -11.338 6.890 -12.577 251 HD22 LEU 31 HD22 LEU 31 -10.793 5.378 -11.861 252 HD23 LEU 31 HD23 LEU 31 -11.599 6.591 -10.841 253 H LEU 32 H LEU 32 -14.801 4.292 -13.832 254 HA LEU 32 HA LEU 32 -14.011 1.640 -14.982 255 HB2 LEU 32 HB2 LEU 32 -16.128 3.659 -15.960 256 HB3 LEU 32 HB3 LEU 32 -15.511 2.278 -16.875 257 HG LEU 32 HG LEU 32 -16.263 0.938 -14.627 258 HD11 LEU 32 HD11 LEU 32 -18.446 1.815 -13.839 259 HD12 LEU 32 HD12 LEU 32 -18.250 3.264 -14.845 260 HD13 LEU 32 HD13 LEU 32 -17.174 2.971 -13.465 261 HD21 LEU 32 HD21 LEU 32 -18.359 0.379 -15.811 262 HD22 LEU 32 HD22 LEU 32 -17.000 0.446 -16.936 263 HD23 LEU 32 HD23 LEU 32 -18.149 1.798 -16.872 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 1.931 1.333 -0.078 2 H2 GLY 1 H2 GLY 1 1.288 0.166 0.906 3 H3 GLY 1 H3 GLY 1 2.854 0.621 1.082 4 HA2 GLY 1 HA2 GLY 1 3.384 -0.166 -1.120 5 HA3 GLY 1 HA3 GLY 1 2.850 -1.454 -0.020 6 HA PRO 2 HA PRO 2 0.337 -1.524 -3.896 7 HB2 PRO 2 HB2 PRO 2 1.116 -3.827 -5.020 8 HB3 PRO 2 HB3 PRO 2 2.247 -2.451 -4.856 9 HG2 PRO 2 HG2 PRO 2 1.981 -4.856 -3.010 10 HG3 PRO 2 HG3 PRO 2 3.471 -4.237 -3.790 11 HD2 PRO 2 HD2 PRO 2 2.676 -3.530 -1.237 12 HD3 PRO 2 HD3 PRO 2 3.623 -2.450 -2.305 13 H TYR 3 H TYR 3 0.085 -3.327 -1.084 14 HA TYR 3 HA TYR 3 -2.390 -4.655 -1.963 15 HB2 TYR 3 HB2 TYR 3 -1.978 -6.174 0.069 16 HB3 TYR 3 HB3 TYR 3 -1.348 -6.477 -1.538 17 HD1 TYR 3 HD1 TYR 3 0.858 -7.145 -1.719 18 HD2 TYR 3 HD2 TYR 3 -0.292 -4.670 1.623 19 HE1 TYR 3 HE1 TYR 3 3.176 -7.245 -0.848 20 HE2 TYR 3 HE2 TYR 3 2.042 -4.754 2.482 21 HH TYR 3 HH TYR 3 4.204 -5.333 1.988 22 H CYS 4 H CYS 4 -3.427 -2.712 -1.810 23 HA CYS 4 HA CYS 4 -4.380 -2.134 0.957 24 HB2 CYS 4 HB2 CYS 4 -4.593 0.257 -0.180 25 HB3 CYS 4 HB3 CYS 4 -3.217 -0.284 0.735 26 H GLN 5 H GLN 5 -5.393 -1.355 -2.396 27 HA GLN 5 HA GLN 5 -8.220 -1.528 -1.882 28 HB2 GLN 5 HB2 GLN 5 -7.604 -0.264 -3.681 29 HB3 GLN 5 HB3 GLN 5 -6.346 -1.356 -4.228 30 HG2 GLN 5 HG2 GLN 5 -9.233 -2.164 -4.490 31 HG3 GLN 5 HG3 GLN 5 -8.537 -0.985 -5.598 32 HE21 GLN 5 HE21 GLN 5 -6.039 -1.888 -6.410 33 HE22 GLN 5 HE22 GLN 5 -6.211 -3.544 -6.971 34 H LYS 6 H LYS 6 -5.766 -3.851 -2.479 35 HA LYS 6 HA LYS 6 -7.459 -6.208 -2.714 36 HB2 LYS 6 HB2 LYS 6 -4.577 -5.462 -2.797 37 HB3 LYS 6 HB3 LYS 6 -4.842 -6.986 -1.985 38 HG2 LYS 6 HG2 LYS 6 -6.176 -6.446 -4.661 39 HG3 LYS 6 HG3 LYS 6 -4.481 -6.934 -4.580 40 HD2 LYS 6 HD2 LYS 6 -4.997 -8.969 -3.414 41 HD3 LYS 6 HD3 LYS 6 -6.693 -8.517 -3.205 42 HE2 LYS 6 HE2 LYS 6 -7.177 -8.751 -5.516 43 HE3 LYS 6 HE3 LYS 6 -5.459 -8.784 -5.970 44 HZ1 LYS 6 HZ1 LYS 6 -5.221 -10.928 -5.178 45 HZ2 LYS 6 HZ2 LYS 6 -6.758 -11.003 -5.795 46 HZ3 LYS 6 HZ3 LYS 6 -6.527 -10.855 -4.183 47 H TRP 7 H TRP 7 -6.719 -4.317 0.094 48 HA TRP 7 HA TRP 7 -7.241 -6.609 1.859 49 HB2 TRP 7 HB2 TRP 7 -4.778 -6.635 1.060 50 HB3 TRP 7 HB3 TRP 7 -4.548 -5.241 2.095 51 HD1 TRP 7 HD1 TRP 7 -4.037 -5.821 4.609 52 HE1 TRP 7 HE1 TRP 7 -4.049 -7.974 6.031 53 HE3 TRP 7 HE3 TRP 7 -6.546 -8.908 1.399 54 HZ2 TRP 7 HZ2 TRP 7 -5.209 -10.606 5.869 55 HZ3 TRP 7 HZ3 TRP 7 -7.249 -11.157 2.127 56 HH2 TRP 7 HH2 TRP 7 -6.548 -12.046 4.341 57 H MET 8 H MET 8 -8.604 -4.120 1.552 58 HA MET 8 HA MET 8 -9.475 -2.444 2.775 59 HB2 MET 8 HB2 MET 8 -9.352 -4.714 4.790 60 HB3 MET 8 HB3 MET 8 -10.411 -3.304 4.932 61 HG2 MET 8 HG2 MET 8 -11.379 -3.858 2.683 62 HG3 MET 8 HG3 MET 8 -10.465 -5.365 2.702 63 HE1 MET 8 HE1 MET 8 -10.964 -7.414 4.206 64 HE2 MET 8 HE2 MET 8 -10.704 -6.456 5.684 65 HE3 MET 8 HE3 MET 8 -12.172 -7.442 5.511 66 H GLN 9 H GLN 9 -7.258 -1.399 2.625 67 HA GLN 9 HA GLN 9 -5.321 -1.423 4.501 68 HB2 GLN 9 HB2 GLN 9 -4.364 0.439 3.307 69 HB3 GLN 9 HB3 GLN 9 -5.255 -0.561 2.169 70 HG2 GLN 9 HG2 GLN 9 -7.162 1.018 2.210 71 HG3 GLN 9 HG3 GLN 9 -6.321 2.028 3.379 72 HE21 GLN 9 HE21 GLN 9 -3.776 2.485 2.414 73 HE22 GLN 9 HE22 GLN 9 -3.937 3.202 0.822 74 H THR 10 H THR 10 -8.032 -0.367 5.845 75 HA THR 10 HA THR 10 -8.816 1.295 7.184 76 HB THR 10 HB THR 10 -5.995 1.900 8.074 77 HG1 THR 10 HG1 THR 10 -6.321 0.347 9.574 78 HG21 THR 10 HG21 THR 10 -8.717 1.984 9.475 79 HG22 THR 10 HG22 THR 10 -7.859 3.411 8.861 80 HG23 THR 10 HG23 THR 10 -7.149 2.455 10.158 81 H CYS 11 H CYS 11 -9.398 2.355 5.144 82 HA CYS 11 HA CYS 11 -7.822 4.728 4.470 83 HB2 CYS 11 HB2 CYS 11 -9.312 3.254 2.876 84 HB3 CYS 11 HB3 CYS 11 -10.530 4.463 3.287 85 H ASP 12 H ASP 12 -7.775 5.363 6.656 86 HA ASP 12 HA ASP 12 -9.780 7.184 7.733 87 HB2 ASP 12 HB2 ASP 12 -6.723 7.186 7.807 88 HB3 ASP 12 HB3 ASP 12 -7.753 8.270 8.724 89 H SER 13 H SER 13 -9.614 9.576 7.449 90 HA SER 13 HA SER 13 -9.421 10.505 4.787 91 HB2 SER 13 HB2 SER 13 -10.671 11.792 6.283 92 HB3 SER 13 HB3 SER 13 -9.389 11.811 7.489 93 HG SER 13 HG SER 13 -9.097 13.179 5.001 94 H GLU 14 H GLU 14 -6.815 10.300 7.198 95 HA GLU 14 HA GLU 14 -4.871 11.700 5.516 96 HB2 GLU 14 HB2 GLU 14 -4.559 9.996 8.002 97 HB3 GLU 14 HB3 GLU 14 -3.267 10.945 7.278 98 HG2 GLU 14 HG2 GLU 14 -4.386 13.033 7.728 99 HG3 GLU 14 HG3 GLU 14 -5.860 12.217 8.249 100 H ARG 15 H ARG 15 -6.211 8.635 5.064 101 HA ARG 15 HA ARG 15 -3.679 7.251 4.490 102 HB2 ARG 15 HB2 ARG 15 -5.836 6.138 5.492 103 HB3 ARG 15 HB3 ARG 15 -6.420 6.225 3.846 104 HG2 ARG 15 HG2 ARG 15 -5.494 4.118 3.788 105 HG3 ARG 15 HG3 ARG 15 -4.121 5.038 3.210 106 HD2 ARG 15 HD2 ARG 15 -4.501 3.539 5.761 107 HD3 ARG 15 HD3 ARG 15 -3.052 3.747 4.772 108 HE ARG 15 HE ARG 15 -2.642 5.909 5.848 109 HH11 ARG 15 HH11 ARG 15 -5.306 4.150 7.316 110 HH12 ARG 15 HH12 ARG 15 -5.365 5.206 8.691 111 HH21 ARG 15 HH21 ARG 15 -2.731 7.164 7.561 112 HH22 ARG 15 HH22 ARG 15 -3.803 6.784 8.917 113 H LYS 16 H LYS 16 -2.718 7.080 2.645 114 HA LYS 16 HA LYS 16 -3.742 8.159 0.134 115 HB2 LYS 16 HB2 LYS 16 -1.296 6.501 0.848 116 HB3 LYS 16 HB3 LYS 16 -1.688 7.032 -0.785 117 HG2 LYS 16 HG2 LYS 16 -1.748 9.402 -0.011 118 HG3 LYS 16 HG3 LYS 16 -1.347 8.887 1.621 119 HD2 LYS 16 HD2 LYS 16 0.599 9.796 0.417 120 HD3 LYS 16 HD3 LYS 16 0.839 8.138 0.960 121 HE2 LYS 16 HE2 LYS 16 1.747 8.588 -1.305 122 HE3 LYS 16 HE3 LYS 16 0.586 7.261 -1.263 123 HZ1 LYS 16 HZ1 LYS 16 -1.070 8.634 -2.242 124 HZ2 LYS 16 HZ2 LYS 16 0.279 8.856 -3.124 125 HZ3 LYS 16 HZ3 LYS 16 -0.211 10.009 -2.036 126 H CYS 17 H CYS 17 -5.657 7.230 -0.346 127 HA CYS 17 HA CYS 17 -6.272 4.473 -0.265 128 HB2 CYS 17 HB2 CYS 17 -7.933 6.268 -0.451 129 HB3 CYS 17 HB3 CYS 17 -7.361 6.648 -2.065 130 H CYS 18 H CYS 18 -5.620 2.833 -1.440 131 HA CYS 18 HA CYS 18 -3.486 2.603 -2.958 132 HB2 CYS 18 HB2 CYS 18 -5.532 0.946 -2.221 133 HB3 CYS 18 HB3 CYS 18 -5.725 0.920 -3.965 134 H GLU 19 H GLU 19 -6.655 2.969 -4.585 135 HA GLU 19 HA GLU 19 -5.303 4.207 -6.947 136 HB2 GLU 19 HB2 GLU 19 -7.845 2.867 -7.509 137 HB3 GLU 19 HB3 GLU 19 -6.384 2.892 -8.443 138 HG2 GLU 19 HG2 GLU 19 -7.025 1.066 -6.065 139 HG3 GLU 19 HG3 GLU 19 -7.227 0.664 -7.764 140 H GLY 20 H GLY 20 -6.760 5.364 -4.458 141 HA2 GLY 20 HA2 GLY 20 -8.295 7.026 -3.959 142 HA3 GLY 20 HA3 GLY 20 -8.414 7.343 -5.680 143 H MET 21 H MET 21 -9.423 4.376 -5.886 144 HA MET 21 HA MET 21 -12.197 4.888 -5.887 145 HB2 MET 21 HB2 MET 21 -12.404 2.426 -6.309 146 HB3 MET 21 HB3 MET 21 -11.389 3.368 -7.395 147 HG2 MET 21 HG2 MET 21 -9.379 2.548 -6.015 148 HG3 MET 21 HG3 MET 21 -10.480 1.446 -5.222 149 HE1 MET 21 HE1 MET 21 -11.009 1.957 -9.294 150 HE2 MET 21 HE2 MET 21 -9.482 2.714 -8.815 151 HE3 MET 21 HE3 MET 21 -9.469 1.216 -9.759 152 H VAL 22 H VAL 22 -13.360 5.381 -4.159 153 HA VAL 22 HA VAL 22 -14.637 5.098 -2.394 154 HB VAL 22 HB VAL 22 -14.167 2.149 -2.127 155 HG11 VAL 22 HG11 VAL 22 -16.688 3.842 -2.153 156 HG12 VAL 22 HG12 VAL 22 -16.527 2.130 -1.652 157 HG13 VAL 22 HG13 VAL 22 -15.830 3.403 -0.665 158 HG21 VAL 22 HG21 VAL 22 -14.305 2.318 -4.514 159 HG22 VAL 22 HG22 VAL 22 -15.878 1.794 -3.918 160 HG23 VAL 22 HG23 VAL 22 -15.644 3.489 -4.395 161 H CYS 23 H CYS 23 -12.417 6.274 -1.418 162 HA CYS 23 HA CYS 23 -11.267 4.818 0.777 163 HB2 CYS 23 HB2 CYS 23 -10.165 6.686 -0.371 164 HB3 CYS 23 HB3 CYS 23 -11.352 7.794 0.309 165 H ARG 24 H ARG 24 -13.077 3.957 1.881 166 HA ARG 24 HA ARG 24 -13.984 5.663 4.160 167 HB2 ARG 24 HB2 ARG 24 -15.872 4.203 2.262 168 HB3 ARG 24 HB3 ARG 24 -16.247 4.384 3.964 169 HG2 ARG 24 HG2 ARG 24 -17.342 6.233 3.268 170 HG3 ARG 24 HG3 ARG 24 -15.767 6.944 3.590 171 HD2 ARG 24 HD2 ARG 24 -16.396 7.743 1.444 172 HD3 ARG 24 HD3 ARG 24 -15.251 6.454 1.059 173 HE ARG 24 HE ARG 24 -17.827 5.297 1.231 174 HH11 ARG 24 HH11 ARG 24 -16.440 7.830 -0.828 175 HH12 ARG 24 HH12 ARG 24 -17.244 7.156 -2.232 176 HH21 ARG 24 HH21 ARG 24 -19.117 4.915 -0.606 177 HH22 ARG 24 HH22 ARG 24 -18.704 5.766 -2.088 178 H LEU 25 H LEU 25 -12.505 4.595 5.401 179 HA LEU 25 HA LEU 25 -11.503 3.022 6.657 180 HB2 LEU 25 HB2 LEU 25 -13.946 1.263 6.341 181 HB3 LEU 25 HB3 LEU 25 -12.691 1.126 7.562 182 HG LEU 25 HG LEU 25 -14.633 3.467 7.298 183 HD11 LEU 25 HD11 LEU 25 -15.734 1.379 7.998 184 HD12 LEU 25 HD12 LEU 25 -15.657 2.535 9.340 185 HD13 LEU 25 HD13 LEU 25 -14.531 1.166 9.286 186 HD21 LEU 25 HD21 LEU 25 -12.590 2.793 9.468 187 HD22 LEU 25 HD22 LEU 25 -13.778 4.112 9.525 188 HD23 LEU 25 HD23 LEU 25 -12.493 4.159 8.331 189 H TRP 26 H TRP 26 -12.557 1.970 3.516 190 HA TRP 26 HA TRP 26 -9.935 0.709 3.139 191 HB2 TRP 26 HB2 TRP 26 -11.209 -1.287 1.995 192 HB3 TRP 26 HB3 TRP 26 -10.876 -1.216 3.716 193 HD1 TRP 26 HD1 TRP 26 -12.723 -1.469 5.366 194 HE1 TRP 26 HE1 TRP 26 -15.255 -1.660 5.301 195 HE3 TRP 26 HE3 TRP 26 -13.462 -0.228 0.455 196 HZ2 TRP 26 HZ2 TRP 26 -17.382 -1.189 3.377 197 HZ3 TRP 26 HZ3 TRP 26 -15.767 -0.025 -0.446 198 HH2 TRP 26 HH2 TRP 26 -17.718 -0.486 1.003 199 H CYS 27 H CYS 27 -10.388 -0.302 0.544 200 HA CYS 27 HA CYS 27 -11.572 1.842 -1.060 201 HB2 CYS 27 HB2 CYS 27 -8.646 1.026 -1.314 202 HB3 CYS 27 HB3 CYS 27 -9.540 1.958 -2.515 203 H LYS 28 H LYS 28 -12.426 0.975 -2.966 204 HA LYS 28 HA LYS 28 -12.209 -2.011 -3.214 205 HB2 LYS 28 HB2 LYS 28 -14.248 -1.088 -1.984 206 HB3 LYS 28 HB3 LYS 28 -14.852 -0.566 -3.541 207 HG2 LYS 28 HG2 LYS 28 -14.216 -3.393 -2.606 208 HG3 LYS 28 HG3 LYS 28 -15.811 -2.709 -2.891 209 HD2 LYS 28 HD2 LYS 28 -15.305 -2.557 -5.332 210 HD3 LYS 28 HD3 LYS 28 -13.739 -3.323 -5.045 211 HE2 LYS 28 HE2 LYS 28 -16.460 -4.594 -4.598 212 HE3 LYS 28 HE3 LYS 28 -15.322 -4.920 -5.909 213 HZ1 LYS 28 HZ1 LYS 28 -15.257 -5.838 -3.176 214 HZ2 LYS 28 HZ2 LYS 28 -13.777 -5.408 -3.795 215 HZ3 LYS 28 HZ3 LYS 28 -14.684 -6.548 -4.558 216 H LYS 29 H LYS 29 -14.307 -0.164 -5.339 217 HA LYS 29 HA LYS 29 -12.436 0.216 -7.470 218 HB2 LYS 29 HB2 LYS 29 -12.923 -2.365 -7.443 219 HB3 LYS 29 HB3 LYS 29 -14.473 -1.923 -8.152 220 HG2 LYS 29 HG2 LYS 29 -13.378 -0.945 -10.085 221 HG3 LYS 29 HG3 LYS 29 -11.805 -0.948 -9.280 222 HD2 LYS 29 HD2 LYS 29 -11.855 -3.443 -9.191 223 HD3 LYS 29 HD3 LYS 29 -13.348 -3.422 -10.133 224 HE2 LYS 29 HE2 LYS 29 -10.646 -2.320 -11.027 225 HE3 LYS 29 HE3 LYS 29 -11.324 -3.888 -11.490 226 HZ1 LYS 29 HZ1 LYS 29 -12.403 -1.226 -12.218 227 HZ2 LYS 29 HZ2 LYS 29 -13.218 -2.636 -12.475 228 HZ3 LYS 29 HZ3 LYS 29 -11.783 -2.355 -13.214 229 H LYS 30 H LYS 30 -13.216 1.804 -8.817 230 HA LYS 30 HA LYS 30 -16.092 2.389 -8.836 231 HB2 LYS 30 HB2 LYS 30 -14.630 3.313 -6.644 232 HB3 LYS 30 HB3 LYS 30 -14.627 4.712 -7.686 233 HG2 LYS 30 HG2 LYS 30 -17.280 3.858 -7.898 234 HG3 LYS 30 HG3 LYS 30 -16.872 3.306 -6.290 235 HD2 LYS 30 HD2 LYS 30 -17.574 5.409 -5.744 236 HD3 LYS 30 HD3 LYS 30 -15.906 5.862 -6.123 237 HE2 LYS 30 HE2 LYS 30 -16.637 6.262 -8.523 238 HE3 LYS 30 HE3 LYS 30 -18.292 5.882 -8.046 239 HZ1 LYS 30 HZ1 LYS 30 -17.918 8.242 -8.079 240 HZ2 LYS 30 HZ2 LYS 30 -16.717 8.135 -6.957 241 HZ3 LYS 30 HZ3 LYS 30 -18.299 7.757 -6.581 242 H LEU 31 H LEU 31 -14.333 1.969 -10.946 243 HA LEU 31 HA LEU 31 -14.877 4.442 -12.509 244 HB2 LEU 31 HB2 LEU 31 -12.507 2.568 -12.605 245 HB3 LEU 31 HB3 LEU 31 -13.118 3.187 -14.115 246 HG LEU 31 HG LEU 31 -11.266 4.477 -13.345 247 HD11 LEU 31 HD11 LEU 31 -13.757 6.209 -13.149 248 HD12 LEU 31 HD12 LEU 31 -13.115 5.548 -14.664 249 HD13 LEU 31 HD13 LEU 31 -12.138 6.664 -13.721 250 HD21 LEU 31 HD21 LEU 31 -12.914 5.484 -11.003 251 HD22 LEU 31 HD22 LEU 31 -11.250 5.906 -11.417 252 HD23 LEU 31 HD23 LEU 31 -11.625 4.265 -10.869 253 H LEU 32 H LEU 32 -15.352 3.850 -14.842 254 HA LEU 32 HA LEU 32 -17.366 1.612 -14.780 255 HB2 LEU 32 HB2 LEU 32 -17.407 4.364 -16.144 256 HB3 LEU 32 HB3 LEU 32 -18.711 3.167 -16.197 257 HG LEU 32 HG LEU 32 -17.712 4.607 -13.672 258 HD11 LEU 32 HD11 LEU 32 -19.909 5.704 -13.738 259 HD12 LEU 32 HD12 LEU 32 -20.321 4.838 -15.233 260 HD13 LEU 32 HD13 LEU 32 -19.005 6.032 -15.222 261 HD21 LEU 32 HD21 LEU 32 -19.758 3.579 -12.610 262 HD22 LEU 32 HD22 LEU 32 -18.513 2.393 -12.997 263 HD23 LEU 32 HD23 LEU 32 -19.943 2.553 -14.044 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 5.503 1.506 -1.756 2 H2 GLY 1 H2 GLY 1 4.549 0.635 -2.769 3 H3 GLY 1 H3 GLY 1 4.149 2.190 -2.398 4 HA2 GLY 1 HA2 GLY 1 4.196 -0.060 -0.482 5 HA3 GLY 1 HA3 GLY 1 3.810 1.622 -0.089 6 HA PRO 2 HA PRO 2 0.081 0.029 -2.495 7 HB2 PRO 2 HB2 PRO 2 0.153 -2.160 -3.999 8 HB3 PRO 2 HB3 PRO 2 1.313 -0.842 -4.316 9 HG2 PRO 2 HG2 PRO 2 1.803 -3.410 -2.790 10 HG3 PRO 2 HG3 PRO 2 2.840 -2.641 -4.010 11 HD2 PRO 2 HD2 PRO 2 3.037 -2.303 -1.202 12 HD3 PRO 2 HD3 PRO 2 3.808 -1.292 -2.446 13 H TYR 3 H TYR 3 -0.425 -3.215 -2.546 14 HA TYR 3 HA TYR 3 -1.707 -4.602 -1.413 15 HB2 TYR 3 HB2 TYR 3 0.269 -3.924 0.748 16 HB3 TYR 3 HB3 TYR 3 -0.845 -5.289 0.814 17 HD1 TYR 3 HD1 TYR 3 2.365 -4.361 -0.183 18 HD2 TYR 3 HD2 TYR 3 -0.978 -6.765 -1.447 19 HE1 TYR 3 HE1 TYR 3 3.835 -5.532 -1.844 20 HE2 TYR 3 HE2 TYR 3 0.458 -7.850 -3.145 21 HH TYR 3 HH TYR 3 2.396 -7.345 -4.400 22 H CYS 4 H CYS 4 -3.060 -2.305 -1.648 23 HA CYS 4 HA CYS 4 -4.604 -2.158 0.877 24 HB2 CYS 4 HB2 CYS 4 -4.805 0.307 0.113 25 HB3 CYS 4 HB3 CYS 4 -3.422 -0.297 0.986 26 H GLN 5 H GLN 5 -5.213 -1.351 -2.620 27 HA GLN 5 HA GLN 5 -8.030 -1.164 -2.259 28 HB2 GLN 5 HB2 GLN 5 -7.437 -0.140 -4.134 29 HB3 GLN 5 HB3 GLN 5 -6.127 -1.241 -4.530 30 HG2 GLN 5 HG2 GLN 5 -9.057 -1.917 -4.979 31 HG3 GLN 5 HG3 GLN 5 -8.104 -1.035 -6.145 32 HE21 GLN 5 HE21 GLN 5 -5.745 -2.175 -6.549 33 HE22 GLN 5 HE22 GLN 5 -5.917 -3.913 -6.823 34 H LYS 6 H LYS 6 -6.038 -3.991 -2.735 35 HA LYS 6 HA LYS 6 -8.271 -5.805 -3.131 36 HB2 LYS 6 HB2 LYS 6 -5.956 -6.130 -4.004 37 HB3 LYS 6 HB3 LYS 6 -5.383 -6.399 -2.352 38 HG2 LYS 6 HG2 LYS 6 -6.727 -8.420 -2.162 39 HG3 LYS 6 HG3 LYS 6 -7.572 -8.057 -3.666 40 HD2 LYS 6 HD2 LYS 6 -5.370 -8.327 -4.899 41 HD3 LYS 6 HD3 LYS 6 -4.649 -8.853 -3.373 42 HE2 LYS 6 HE2 LYS 6 -6.506 -10.569 -3.196 43 HE3 LYS 6 HE3 LYS 6 -7.021 -10.129 -4.824 44 HZ1 LYS 6 HZ1 LYS 6 -5.578 -12.091 -4.744 45 HZ2 LYS 6 HZ2 LYS 6 -4.379 -11.229 -4.062 46 HZ3 LYS 6 HZ3 LYS 6 -4.830 -10.923 -5.628 47 H TRP 7 H TRP 7 -7.126 -4.228 -0.291 48 HA TRP 7 HA TRP 7 -7.751 -6.544 1.500 49 HB2 TRP 7 HB2 TRP 7 -5.436 -6.394 0.232 50 HB3 TRP 7 HB3 TRP 7 -5.058 -5.163 1.402 51 HD1 TRP 7 HD1 TRP 7 -4.583 -6.044 3.894 52 HE1 TRP 7 HE1 TRP 7 -3.986 -8.391 4.827 53 HE3 TRP 7 HE3 TRP 7 -6.340 -8.919 0.054 54 HZ2 TRP 7 HZ2 TRP 7 -4.404 -11.134 4.068 55 HZ3 TRP 7 HZ3 TRP 7 -6.252 -11.398 0.184 56 HH2 TRP 7 HH2 TRP 7 -5.269 -12.513 2.178 57 H MET 8 H MET 8 -9.339 -4.349 1.769 58 HA MET 8 HA MET 8 -10.154 -2.891 3.394 59 HB2 MET 8 HB2 MET 8 -8.934 -5.190 4.923 60 HB3 MET 8 HB3 MET 8 -10.082 -4.040 5.623 61 HG2 MET 8 HG2 MET 8 -11.821 -4.672 4.106 62 HG3 MET 8 HG3 MET 8 -10.725 -5.677 3.158 63 HE1 MET 8 HE1 MET 8 -13.575 -6.695 4.272 64 HE2 MET 8 HE2 MET 8 -12.473 -7.639 3.258 65 HE3 MET 8 HE3 MET 8 -13.112 -8.338 4.760 66 H GLN 9 H GLN 9 -7.994 -1.604 2.608 67 HA GLN 9 HA GLN 9 -5.859 -1.282 4.284 68 HB2 GLN 9 HB2 GLN 9 -5.162 0.380 2.678 69 HB3 GLN 9 HB3 GLN 9 -6.005 -0.928 1.880 70 HG2 GLN 9 HG2 GLN 9 -7.672 0.383 1.099 71 HG3 GLN 9 HG3 GLN 9 -7.862 1.259 2.608 72 HE21 GLN 9 HE21 GLN 9 -5.850 2.768 3.117 73 HE22 GLN 9 HE22 GLN 9 -5.258 3.688 1.711 74 H THR 10 H THR 10 -8.219 -0.353 5.927 75 HA THR 10 HA THR 10 -8.856 1.418 7.310 76 HB THR 10 HB THR 10 -5.863 1.293 7.791 77 HG1 THR 10 HG1 THR 10 -6.294 -0.534 8.890 78 HG21 THR 10 HG21 THR 10 -8.255 1.762 9.626 79 HG22 THR 10 HG22 THR 10 -6.958 2.926 9.270 80 HG23 THR 10 HG23 THR 10 -6.603 1.460 10.191 81 H CYS 11 H CYS 11 -9.182 2.653 5.137 82 HA CYS 11 HA CYS 11 -7.472 4.881 4.607 83 HB2 CYS 11 HB2 CYS 11 -8.910 3.565 2.988 84 HB3 CYS 11 HB3 CYS 11 -10.275 4.541 3.539 85 H ASP 12 H ASP 12 -7.338 5.776 6.678 86 HA ASP 12 HA ASP 12 -9.339 7.555 7.742 87 HB2 ASP 12 HB2 ASP 12 -6.346 7.237 8.044 88 HB3 ASP 12 HB3 ASP 12 -7.207 8.558 8.817 89 H SER 13 H SER 13 -9.167 9.899 7.858 90 HA SER 13 HA SER 13 -9.337 11.189 5.436 91 HB2 SER 13 HB2 SER 13 -10.356 12.076 7.374 92 HB3 SER 13 HB3 SER 13 -8.812 12.269 8.208 93 HG SER 13 HG SER 13 -9.895 14.188 7.052 94 H GLU 14 H GLU 14 -6.307 10.972 7.315 95 HA GLU 14 HA GLU 14 -4.747 12.673 5.502 96 HB2 GLU 14 HB2 GLU 14 -4.182 10.719 7.750 97 HB3 GLU 14 HB3 GLU 14 -2.853 11.257 6.746 98 HG2 GLU 14 HG2 GLU 14 -4.689 13.142 8.258 99 HG3 GLU 14 HG3 GLU 14 -3.142 12.545 8.858 100 H ARG 15 H ARG 15 -5.909 9.426 5.285 101 HA ARG 15 HA ARG 15 -3.316 8.367 4.522 102 HB2 ARG 15 HB2 ARG 15 -4.981 7.508 6.266 103 HB3 ARG 15 HB3 ARG 15 -5.873 6.784 4.937 104 HG2 ARG 15 HG2 ARG 15 -2.886 6.256 5.093 105 HG3 ARG 15 HG3 ARG 15 -3.896 5.577 6.373 106 HD2 ARG 15 HD2 ARG 15 -5.335 4.448 4.727 107 HD3 ARG 15 HD3 ARG 15 -4.401 5.197 3.386 108 HE ARG 15 HE ARG 15 -2.648 3.680 3.775 109 HH11 ARG 15 HH11 ARG 15 -4.920 3.361 6.523 110 HH12 ARG 15 HH12 ARG 15 -3.737 2.336 7.336 111 HH21 ARG 15 HH21 ARG 15 -1.496 2.215 4.812 112 HH22 ARG 15 HH22 ARG 15 -1.955 1.695 6.442 113 H LYS 16 H LYS 16 -2.654 7.623 2.664 114 HA LYS 16 HA LYS 16 -3.965 8.281 0.268 115 HB2 LYS 16 HB2 LYS 16 -2.151 7.192 -0.894 116 HB3 LYS 16 HB3 LYS 16 -1.551 8.120 0.475 117 HG2 LYS 16 HG2 LYS 16 -1.445 5.917 1.783 118 HG3 LYS 16 HG3 LYS 16 -1.755 5.092 0.253 119 HD2 LYS 16 HD2 LYS 16 0.606 6.916 0.884 120 HD3 LYS 16 HD3 LYS 16 0.639 5.152 0.796 121 HE2 LYS 16 HE2 LYS 16 0.000 5.273 -1.618 122 HE3 LYS 16 HE3 LYS 16 0.031 7.043 -1.525 123 HZ1 LYS 16 HZ1 LYS 16 2.379 5.270 -1.041 124 HZ2 LYS 16 HZ2 LYS 16 2.392 6.919 -0.985 125 HZ3 LYS 16 HZ3 LYS 16 2.125 6.135 -2.393 126 H CYS 17 H CYS 17 -5.402 7.385 -0.980 127 HA CYS 17 HA CYS 17 -6.436 4.690 -0.336 128 HB2 CYS 17 HB2 CYS 17 -7.939 6.634 -0.407 129 HB3 CYS 17 HB3 CYS 17 -7.554 6.874 -2.107 130 H CYS 18 H CYS 18 -5.940 2.994 -1.503 131 HA CYS 18 HA CYS 18 -3.681 2.873 -2.783 132 HB2 CYS 18 HB2 CYS 18 -5.555 1.049 -2.116 133 HB3 CYS 18 HB3 CYS 18 -5.642 0.929 -3.870 134 H GLU 19 H GLU 19 -6.629 2.700 -4.865 135 HA GLU 19 HA GLU 19 -5.034 3.811 -7.137 136 HB2 GLU 19 HB2 GLU 19 -7.621 2.519 -7.771 137 HB3 GLU 19 HB3 GLU 19 -6.138 2.560 -8.668 138 HG2 GLU 19 HG2 GLU 19 -6.759 0.807 -6.258 139 HG3 GLU 19 HG3 GLU 19 -6.939 0.327 -7.935 140 H GLY 20 H GLY 20 -6.192 5.473 -4.991 141 HA2 GLY 20 HA2 GLY 20 -7.612 7.223 -4.615 142 HA3 GLY 20 HA3 GLY 20 -7.713 7.411 -6.375 143 H MET 21 H MET 21 -8.784 4.588 -4.561 144 HA MET 21 HA MET 21 -11.387 4.602 -5.897 145 HB2 MET 21 HB2 MET 21 -9.851 2.662 -4.152 146 HB3 MET 21 HB3 MET 21 -11.485 2.312 -4.706 147 HG2 MET 21 HG2 MET 21 -9.269 3.017 -6.608 148 HG3 MET 21 HG3 MET 21 -9.624 1.365 -6.101 149 HE1 MET 21 HE1 MET 21 -9.546 2.227 -9.212 150 HE2 MET 21 HE2 MET 21 -9.774 0.607 -8.516 151 HE3 MET 21 HE3 MET 21 -10.914 1.217 -9.731 152 H VAL 22 H VAL 22 -12.824 3.154 -3.903 153 HA VAL 22 HA VAL 22 -14.185 5.324 -2.668 154 HB VAL 22 HB VAL 22 -14.734 2.396 -2.105 155 HG11 VAL 22 HG11 VAL 22 -16.544 4.808 -2.487 156 HG12 VAL 22 HG12 VAL 22 -17.038 3.180 -1.959 157 HG13 VAL 22 HG13 VAL 22 -16.019 4.193 -0.910 158 HG21 VAL 22 HG21 VAL 22 -15.563 3.931 -4.583 159 HG22 VAL 22 HG22 VAL 22 -14.547 2.477 -4.527 160 HG23 VAL 22 HG23 VAL 22 -16.236 2.374 -4.042 161 H CYS 23 H CYS 23 -12.373 6.164 -1.279 162 HA CYS 23 HA CYS 23 -11.383 4.741 0.959 163 HB2 CYS 23 HB2 CYS 23 -10.394 6.768 -0.073 164 HB3 CYS 23 HB3 CYS 23 -11.732 7.715 0.554 165 H ARG 24 H ARG 24 -13.064 3.701 2.058 166 HA ARG 24 HA ARG 24 -13.875 5.230 4.442 167 HB2 ARG 24 HB2 ARG 24 -16.002 3.558 3.032 168 HB3 ARG 24 HB3 ARG 24 -16.111 4.296 4.604 169 HG2 ARG 24 HG2 ARG 24 -17.346 5.799 3.482 170 HG3 ARG 24 HG3 ARG 24 -15.774 6.581 3.270 171 HD2 ARG 24 HD2 ARG 24 -15.570 5.385 1.050 172 HD3 ARG 24 HD3 ARG 24 -17.128 4.610 1.353 173 HE ARG 24 HE ARG 24 -16.890 7.588 1.368 174 HH11 ARG 24 HH11 ARG 24 -17.970 4.807 -0.437 175 HH12 ARG 24 HH12 ARG 24 -18.779 5.799 -1.616 176 HH21 ARG 24 HH21 ARG 24 -18.169 8.745 -0.027 177 HH22 ARG 24 HH22 ARG 24 -19.114 7.925 -1.245 178 H LEU 25 H LEU 25 -12.268 4.057 5.458 179 HA LEU 25 HA LEU 25 -10.989 2.378 6.259 180 HB2 LEU 25 HB2 LEU 25 -13.452 0.614 6.165 181 HB3 LEU 25 HB3 LEU 25 -11.934 0.219 6.945 182 HG LEU 25 HG LEU 25 -13.688 2.575 7.722 183 HD11 LEU 25 HD11 LEU 25 -14.331 1.222 9.666 184 HD12 LEU 25 HD12 LEU 25 -13.385 -0.149 9.037 185 HD13 LEU 25 HD13 LEU 25 -14.813 0.448 8.152 186 HD21 LEU 25 HD21 LEU 25 -11.366 2.944 8.395 187 HD22 LEU 25 HD22 LEU 25 -11.281 1.312 9.102 188 HD23 LEU 25 HD23 LEU 25 -12.336 2.550 9.811 189 H TRP 26 H TRP 26 -13.008 0.568 3.860 190 HA TRP 26 HA TRP 26 -10.566 -0.476 2.616 191 HB2 TRP 26 HB2 TRP 26 -12.471 -1.161 0.831 192 HB3 TRP 26 HB3 TRP 26 -12.009 -2.094 2.225 193 HD1 TRP 26 HD1 TRP 26 -13.814 -2.670 3.926 194 HE1 TRP 26 HE1 TRP 26 -16.286 -2.090 4.285 195 HE3 TRP 26 HE3 TRP 26 -14.190 1.241 0.662 196 HZ2 TRP 26 HZ2 TRP 26 -18.146 -0.097 3.361 197 HZ3 TRP 26 HZ3 TRP 26 -16.301 2.505 0.474 198 HH2 TRP 26 HH2 TRP 26 -18.302 1.845 1.809 199 H CYS 27 H CYS 27 -10.311 -0.314 0.277 200 HA CYS 27 HA CYS 27 -11.294 2.122 -1.049 201 HB2 CYS 27 HB2 CYS 27 -8.380 1.400 -0.758 202 HB3 CYS 27 HB3 CYS 27 -8.948 2.252 -2.178 203 H LYS 28 H LYS 28 -12.545 -0.091 -1.237 204 HA LYS 28 HA LYS 28 -11.705 -2.114 -3.061 205 HB2 LYS 28 HB2 LYS 28 -14.171 -2.614 -3.216 206 HB3 LYS 28 HB3 LYS 28 -13.507 -2.616 -1.586 207 HG2 LYS 28 HG2 LYS 28 -14.484 -0.473 -1.080 208 HG3 LYS 28 HG3 LYS 28 -14.975 -0.213 -2.758 209 HD2 LYS 28 HD2 LYS 28 -16.626 -1.962 -2.642 210 HD3 LYS 28 HD3 LYS 28 -16.058 -2.498 -1.058 211 HE2 LYS 28 HE2 LYS 28 -16.870 -0.604 0.065 212 HE3 LYS 28 HE3 LYS 28 -16.910 0.371 -1.409 213 HZ1 LYS 28 HZ1 LYS 28 -18.787 -0.886 -2.180 214 HZ2 LYS 28 HZ2 LYS 28 -19.133 -0.228 -0.731 215 HZ3 LYS 28 HZ3 LYS 28 -18.818 -1.847 -0.867 216 H LYS 29 H LYS 29 -12.089 -2.479 -5.207 217 HA LYS 29 HA LYS 29 -11.960 -0.349 -7.045 218 HB2 LYS 29 HB2 LYS 29 -12.701 -3.258 -7.284 219 HB3 LYS 29 HB3 LYS 29 -12.759 -2.194 -8.695 220 HG2 LYS 29 HG2 LYS 29 -10.431 -1.758 -8.647 221 HG3 LYS 29 HG3 LYS 29 -10.255 -2.355 -7.003 222 HD2 LYS 29 HD2 LYS 29 -9.332 -3.954 -8.656 223 HD3 LYS 29 HD3 LYS 29 -10.639 -4.639 -7.684 224 HE2 LYS 29 HE2 LYS 29 -12.227 -4.071 -9.573 225 HE3 LYS 29 HE3 LYS 29 -10.830 -3.659 -10.568 226 HZ1 LYS 29 HZ1 LYS 29 -10.864 -6.294 -9.243 227 HZ2 LYS 29 HZ2 LYS 29 -10.264 -5.885 -10.727 228 HZ3 LYS 29 HZ3 LYS 29 -11.860 -6.079 -10.516 229 H LYS 30 H LYS 30 -13.393 1.209 -7.282 230 HA LYS 30 HA LYS 30 -15.838 0.517 -8.692 231 HB2 LYS 30 HB2 LYS 30 -16.432 0.688 -6.149 232 HB3 LYS 30 HB3 LYS 30 -16.285 2.424 -6.386 233 HG2 LYS 30 HG2 LYS 30 -18.056 0.655 -8.098 234 HG3 LYS 30 HG3 LYS 30 -18.604 1.365 -6.583 235 HD2 LYS 30 HD2 LYS 30 -18.348 3.615 -7.425 236 HD3 LYS 30 HD3 LYS 30 -17.603 3.036 -8.928 237 HE2 LYS 30 HE2 LYS 30 -19.626 1.832 -9.553 238 HE3 LYS 30 HE3 LYS 30 -20.408 2.292 -8.030 239 HZ1 LYS 30 HZ1 LYS 30 -20.259 4.595 -8.685 240 HZ2 LYS 30 HZ2 LYS 30 -21.088 3.755 -9.826 241 HZ3 LYS 30 HZ3 LYS 30 -19.518 4.211 -10.108 242 H LEU 31 H LEU 31 -14.568 1.319 -10.331 243 HA LEU 31 HA LEU 31 -14.811 4.211 -10.710 244 HB2 LEU 31 HB2 LEU 31 -12.586 4.061 -9.810 245 HB3 LEU 31 HB3 LEU 31 -12.150 2.749 -10.893 246 HG LEU 31 HG LEU 31 -13.026 5.328 -12.175 247 HD11 LEU 31 HD11 LEU 31 -10.752 6.277 -11.947 248 HD12 LEU 31 HD12 LEU 31 -10.330 4.971 -10.822 249 HD13 LEU 31 HD13 LEU 31 -11.579 6.146 -10.382 250 HD21 LEU 31 HD21 LEU 31 -12.321 3.386 -13.581 251 HD22 LEU 31 HD22 LEU 31 -10.763 3.356 -12.744 252 HD23 LEU 31 HD23 LEU 31 -11.206 4.740 -13.753 253 H LEU 32 H LEU 32 -15.432 4.719 -12.774 254 HA LEU 32 HA LEU 32 -16.087 2.391 -14.510 255 HB2 LEU 32 HB2 LEU 32 -16.540 5.407 -14.756 256 HB3 LEU 32 HB3 LEU 32 -17.221 4.195 -15.852 257 HG LEU 32 HG LEU 32 -17.793 4.377 -12.836 258 HD11 LEU 32 HD11 LEU 32 -18.813 6.202 -14.146 259 HD12 LEU 32 HD12 LEU 32 -20.049 5.083 -13.566 260 HD13 LEU 32 HD13 LEU 32 -19.526 5.026 -15.263 261 HD21 LEU 32 HD21 LEU 32 -19.610 2.719 -13.332 262 HD22 LEU 32 HD22 LEU 32 -18.006 2.028 -13.541 263 HD23 LEU 32 HD23 LEU 32 -18.952 2.512 -14.967 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 4.796 2.729 0.322 2 H2 GLY 1 H2 GLY 1 3.196 3.015 0.029 3 H3 GLY 1 H3 GLY 1 3.672 1.731 0.966 4 HA2 GLY 1 HA2 GLY 1 4.213 2.027 -1.903 5 HA3 GLY 1 HA3 GLY 1 4.705 0.663 -0.871 6 HA PRO 2 HA PRO 2 0.681 -0.369 -2.820 7 HB2 PRO 2 HB2 PRO 2 1.186 -2.972 -3.478 8 HB3 PRO 2 HB3 PRO 2 1.918 -1.599 -4.342 9 HG2 PRO 2 HG2 PRO 2 3.130 -3.214 -2.077 10 HG3 PRO 2 HG3 PRO 2 3.848 -2.863 -3.683 11 HD2 PRO 2 HD2 PRO 2 4.421 -1.357 -1.488 12 HD3 PRO 2 HD3 PRO 2 4.259 -0.614 -3.109 13 H TYR 3 H TYR 3 -0.514 -2.847 -2.483 14 HA TYR 3 HA TYR 3 -1.950 -3.861 -1.188 15 HB2 TYR 3 HB2 TYR 3 0.457 -4.150 0.491 16 HB3 TYR 3 HB3 TYR 3 -1.089 -4.712 1.098 17 HD1 TYR 3 HD1 TYR 3 1.431 -5.224 -1.580 18 HD2 TYR 3 HD2 TYR 3 -2.325 -6.513 0.104 19 HE1 TYR 3 HE1 TYR 3 1.611 -7.385 -2.804 20 HE2 TYR 3 HE2 TYR 3 -2.159 -8.643 -1.150 21 HH TYR 3 HH TYR 3 0.802 -9.665 -2.666 22 H CYS 4 H CYS 4 -3.101 -1.889 -1.418 23 HA CYS 4 HA CYS 4 -4.200 -1.227 1.249 24 HB2 CYS 4 HB2 CYS 4 -4.795 1.022 -0.168 25 HB3 CYS 4 HB3 CYS 4 -3.523 0.818 1.021 26 H GLN 5 H GLN 5 -5.301 -0.658 -2.144 27 HA GLN 5 HA GLN 5 -8.034 -0.973 -1.544 28 HB2 GLN 5 HB2 GLN 5 -7.413 0.087 -3.549 29 HB3 GLN 5 HB3 GLN 5 -6.425 -1.260 -4.092 30 HG2 GLN 5 HG2 GLN 5 -9.451 -1.502 -3.841 31 HG3 GLN 5 HG3 GLN 5 -8.689 -0.803 -5.256 32 HE21 GLN 5 HE21 GLN 5 -6.887 -2.245 -6.260 33 HE22 GLN 5 HE22 GLN 5 -7.182 -4.000 -6.217 34 H LYS 6 H LYS 6 -5.758 -3.450 -2.694 35 HA LYS 6 HA LYS 6 -7.537 -5.608 -2.816 36 HB2 LYS 6 HB2 LYS 6 -5.271 -5.385 -3.823 37 HB3 LYS 6 HB3 LYS 6 -4.537 -5.641 -2.229 38 HG2 LYS 6 HG2 LYS 6 -5.433 -7.876 -2.105 39 HG3 LYS 6 HG3 LYS 6 -6.484 -7.595 -3.498 40 HD2 LYS 6 HD2 LYS 6 -4.232 -7.239 -4.798 41 HD3 LYS 6 HD3 LYS 6 -3.499 -8.066 -3.419 42 HE2 LYS 6 HE2 LYS 6 -5.719 -9.086 -5.250 43 HE3 LYS 6 HE3 LYS 6 -4.051 -9.653 -5.204 44 HZ1 LYS 6 HZ1 LYS 6 -6.023 -9.967 -2.993 45 HZ2 LYS 6 HZ2 LYS 6 -4.473 -10.507 -2.959 46 HZ3 LYS 6 HZ3 LYS 6 -5.543 -11.132 -4.037 47 H TRP 7 H TRP 7 -6.470 -4.130 0.094 48 HA TRP 7 HA TRP 7 -6.983 -6.601 1.702 49 HB2 TRP 7 HB2 TRP 7 -4.604 -6.217 0.903 50 HB3 TRP 7 HB3 TRP 7 -4.569 -4.784 1.910 51 HD1 TRP 7 HD1 TRP 7 -4.928 -8.605 2.176 52 HE1 TRP 7 HE1 TRP 7 -4.014 -9.404 4.455 53 HE3 TRP 7 HE3 TRP 7 -4.218 -4.059 4.415 54 HZ2 TRP 7 HZ2 TRP 7 -2.908 -8.222 6.821 55 HZ3 TRP 7 HZ3 TRP 7 -3.279 -3.932 6.724 56 HH2 TRP 7 HH2 TRP 7 -2.549 -5.990 7.889 57 H MET 8 H MET 8 -8.053 -3.568 1.349 58 HA MET 8 HA MET 8 -9.473 -2.325 2.495 59 HB2 MET 8 HB2 MET 8 -9.708 -4.747 4.286 60 HB3 MET 8 HB3 MET 8 -10.781 -3.341 4.362 61 HG2 MET 8 HG2 MET 8 -11.399 -3.617 2.013 62 HG3 MET 8 HG3 MET 8 -10.262 -4.953 1.843 63 HE1 MET 8 HE1 MET 8 -14.479 -5.165 3.627 64 HE2 MET 8 HE2 MET 8 -13.295 -4.042 4.336 65 HE3 MET 8 HE3 MET 8 -13.803 -3.866 2.631 66 H GLN 9 H GLN 9 -6.743 -3.125 4.430 67 HA GLN 9 HA GLN 9 -5.184 -1.644 5.075 68 HB2 GLN 9 HB2 GLN 9 -4.780 -0.112 3.343 69 HB3 GLN 9 HB3 GLN 9 -5.662 -1.466 2.683 70 HG2 GLN 9 HG2 GLN 9 -7.320 -0.138 1.895 71 HG3 GLN 9 HG3 GLN 9 -7.601 0.553 3.477 72 HE21 GLN 9 HE21 GLN 9 -4.995 1.923 3.764 73 HE22 GLN 9 HE22 GLN 9 -5.104 3.281 2.639 74 H THR 10 H THR 10 -8.143 -0.372 6.144 75 HA THR 10 HA THR 10 -8.713 1.415 7.443 76 HB THR 10 HB THR 10 -5.902 1.848 8.387 77 HG1 THR 10 HG1 THR 10 -5.660 -0.011 9.115 78 HG21 THR 10 HG21 THR 10 -7.781 3.100 9.386 79 HG22 THR 10 HG22 THR 10 -6.997 2.023 10.555 80 HG23 THR 10 HG23 THR 10 -8.551 1.560 9.830 81 H CYS 11 H CYS 11 -9.079 2.458 5.368 82 HA CYS 11 HA CYS 11 -7.125 4.395 4.298 83 HB2 CYS 11 HB2 CYS 11 -8.729 3.031 2.993 84 HB3 CYS 11 HB3 CYS 11 -10.033 3.810 3.811 85 H ASP 12 H ASP 12 -7.437 5.184 6.871 86 HA ASP 12 HA ASP 12 -9.292 7.303 7.299 87 HB2 ASP 12 HB2 ASP 12 -6.531 6.699 8.386 88 HB3 ASP 12 HB3 ASP 12 -7.456 8.109 8.899 89 H SER 13 H SER 13 -8.808 9.576 7.546 90 HA SER 13 HA SER 13 -8.333 10.836 5.087 91 HB2 SER 13 HB2 SER 13 -9.672 11.647 7.032 92 HB3 SER 13 HB3 SER 13 -8.176 12.044 7.881 93 HG SER 13 HG SER 13 -7.753 13.620 6.410 94 H GLU 14 H GLU 14 -5.906 9.737 7.242 95 HA GLU 14 HA GLU 14 -3.798 11.524 6.070 96 HB2 GLU 14 HB2 GLU 14 -3.894 9.915 8.627 97 HB3 GLU 14 HB3 GLU 14 -2.479 10.810 8.086 98 HG2 GLU 14 HG2 GLU 14 -3.590 12.938 8.289 99 HG3 GLU 14 HG3 GLU 14 -5.164 12.188 8.510 100 H ARG 15 H ARG 15 -5.083 8.670 5.324 101 HA ARG 15 HA ARG 15 -2.550 7.133 4.922 102 HB2 ARG 15 HB2 ARG 15 -5.355 6.447 5.629 103 HB3 ARG 15 HB3 ARG 15 -4.696 5.421 4.385 104 HG2 ARG 15 HG2 ARG 15 -2.923 5.929 6.767 105 HG3 ARG 15 HG3 ARG 15 -4.385 4.986 7.067 106 HD2 ARG 15 HD2 ARG 15 -3.841 3.348 5.395 107 HD3 ARG 15 HD3 ARG 15 -2.507 4.375 4.745 108 HE ARG 15 HE ARG 15 -1.158 3.850 6.549 109 HH11 ARG 15 HH11 ARG 15 -4.204 2.090 6.971 110 HH12 ARG 15 HH12 ARG 15 -3.635 1.404 8.471 111 HH21 ARG 15 HH21 ARG 15 -0.743 3.222 8.613 112 HH22 ARG 15 HH22 ARG 15 -1.814 2.143 9.422 113 H LYS 16 H LYS 16 -1.940 6.307 2.946 114 HA LYS 16 HA LYS 16 -3.031 7.267 0.458 115 HB2 LYS 16 HB2 LYS 16 -1.745 5.462 -0.567 116 HB3 LYS 16 HB3 LYS 16 -0.787 6.263 0.674 117 HG2 LYS 16 HG2 LYS 16 -1.400 4.402 2.274 118 HG3 LYS 16 HG3 LYS 16 -2.235 3.579 0.965 119 HD2 LYS 16 HD2 LYS 16 -0.310 3.016 -0.147 120 HD3 LYS 16 HD3 LYS 16 0.627 4.386 0.462 121 HE2 LYS 16 HE2 LYS 16 -0.316 2.119 2.258 122 HE3 LYS 16 HE3 LYS 16 1.203 2.048 1.379 123 HZ1 LYS 16 HZ1 LYS 16 1.417 2.911 3.658 124 HZ2 LYS 16 HZ2 LYS 16 0.542 4.260 3.266 125 HZ3 LYS 16 HZ3 LYS 16 1.978 3.983 2.531 126 H CYS 17 H CYS 17 -4.253 5.922 -1.147 127 HA CYS 17 HA CYS 17 -5.728 3.705 0.111 128 HB2 CYS 17 HB2 CYS 17 -6.789 6.163 0.114 129 HB3 CYS 17 HB3 CYS 17 -7.282 5.695 -1.479 130 H CYS 18 H CYS 18 -3.697 3.681 -1.828 131 HA CYS 18 HA CYS 18 -3.005 2.667 -3.664 132 HB2 CYS 18 HB2 CYS 18 -5.397 1.056 -3.019 133 HB3 CYS 18 HB3 CYS 18 -4.673 0.832 -4.604 134 H GLU 19 H GLU 19 -6.432 2.805 -4.686 135 HA GLU 19 HA GLU 19 -5.562 4.457 -7.022 136 HB2 GLU 19 HB2 GLU 19 -8.004 3.469 -7.742 137 HB3 GLU 19 HB3 GLU 19 -6.460 2.943 -8.311 138 HG2 GLU 19 HG2 GLU 19 -7.843 1.641 -5.932 139 HG3 GLU 19 HG3 GLU 19 -8.147 1.182 -7.601 140 H GLY 20 H GLY 20 -7.846 5.599 -7.917 141 HA2 GLY 20 HA2 GLY 20 -8.605 7.571 -5.846 142 HA3 GLY 20 HA3 GLY 20 -9.021 7.584 -7.552 143 H MET 21 H MET 21 -9.624 4.524 -6.499 144 HA MET 21 HA MET 21 -12.404 4.483 -6.715 145 HB2 MET 21 HB2 MET 21 -10.563 2.662 -5.103 146 HB3 MET 21 HB3 MET 21 -12.230 2.292 -5.524 147 HG2 MET 21 HG2 MET 21 -10.002 2.703 -7.526 148 HG3 MET 21 HG3 MET 21 -10.597 1.162 -6.949 149 HE1 MET 21 HE1 MET 21 -10.442 3.426 -9.591 150 HE2 MET 21 HE2 MET 21 -11.991 3.524 -10.439 151 HE3 MET 21 HE3 MET 21 -11.724 4.481 -8.957 152 H VAL 22 H VAL 22 -14.074 4.028 -5.231 153 HA VAL 22 HA VAL 22 -14.574 5.868 -3.289 154 HB VAL 22 HB VAL 22 -15.653 3.033 -3.189 155 HG11 VAL 22 HG11 VAL 22 -16.800 5.684 -2.191 156 HG12 VAL 22 HG12 VAL 22 -17.626 4.115 -2.171 157 HG13 VAL 22 HG13 VAL 22 -16.205 4.353 -1.167 158 HG21 VAL 22 HG21 VAL 22 -16.661 5.437 -4.744 159 HG22 VAL 22 HG22 VAL 22 -15.992 3.937 -5.429 160 HG23 VAL 22 HG23 VAL 22 -17.520 3.890 -4.553 161 H CYS 23 H CYS 23 -13.672 6.393 -1.442 162 HA CYS 23 HA CYS 23 -12.578 4.247 0.321 163 HB2 CYS 23 HB2 CYS 23 -11.018 6.167 -0.312 164 HB3 CYS 23 HB3 CYS 23 -12.179 7.286 0.468 165 H ARG 24 H ARG 24 -14.240 3.508 1.551 166 HA ARG 24 HA ARG 24 -14.859 5.339 3.783 167 HB2 ARG 24 HB2 ARG 24 -16.984 3.687 2.344 168 HB3 ARG 24 HB3 ARG 24 -17.068 4.082 4.046 169 HG2 ARG 24 HG2 ARG 24 -18.296 5.818 3.317 170 HG3 ARG 24 HG3 ARG 24 -16.702 6.589 3.254 171 HD2 ARG 24 HD2 ARG 24 -16.582 5.950 0.789 172 HD3 ARG 24 HD3 ARG 24 -18.176 5.208 0.948 173 HE ARG 24 HE ARG 24 -19.168 7.336 1.238 174 HH11 ARG 24 HH11 ARG 24 -15.638 7.841 1.218 175 HH12 ARG 24 HH12 ARG 24 -15.909 9.567 1.004 176 HH21 ARG 24 HH21 ARG 24 -19.263 9.453 1.111 177 HH22 ARG 24 HH22 ARG 24 -17.804 10.418 0.892 178 H LEU 25 H LEU 25 -13.794 4.428 5.419 179 HA LEU 25 HA LEU 25 -12.373 3.070 6.510 180 HB2 LEU 25 HB2 LEU 25 -14.801 1.427 6.168 181 HB3 LEU 25 HB3 LEU 25 -13.347 0.461 6.342 182 HG LEU 25 HG LEU 25 -12.765 1.649 8.417 183 HD11 LEU 25 HD11 LEU 25 -13.928 3.819 8.006 184 HD12 LEU 25 HD12 LEU 25 -14.394 3.089 9.547 185 HD13 LEU 25 HD13 LEU 25 -15.492 2.992 8.155 186 HD21 LEU 25 HD21 LEU 25 -15.582 0.499 8.371 187 HD22 LEU 25 HD22 LEU 25 -14.554 0.669 9.810 188 HD23 LEU 25 HD23 LEU 25 -14.074 -0.426 8.501 189 H TRP 26 H TRP 26 -13.125 1.540 3.382 190 HA TRP 26 HA TRP 26 -10.300 0.628 3.193 191 HB2 TRP 26 HB2 TRP 26 -11.445 -0.963 1.418 192 HB3 TRP 26 HB3 TRP 26 -11.449 -1.246 3.130 193 HD1 TRP 26 HD1 TRP 26 -13.607 -1.679 4.278 194 HE1 TRP 26 HE1 TRP 26 -16.095 -1.475 3.771 195 HE3 TRP 26 HE3 TRP 26 -13.327 0.962 -0.105 196 HZ2 TRP 26 HZ2 TRP 26 -17.749 -0.060 1.899 197 HZ3 TRP 26 HZ3 TRP 26 -15.378 1.942 -1.075 198 HH2 TRP 26 HH2 TRP 26 -17.582 1.522 -0.030 199 H CYS 27 H CYS 27 -10.226 0.065 0.437 200 HA CYS 27 HA CYS 27 -11.635 2.131 -0.915 201 HB2 CYS 27 HB2 CYS 27 -8.618 1.949 -1.236 202 HB3 CYS 27 HB3 CYS 27 -9.651 2.219 -2.699 203 H LYS 28 H LYS 28 -12.718 1.163 -2.626 204 HA LYS 28 HA LYS 28 -11.811 -1.464 -3.640 205 HB2 LYS 28 HB2 LYS 28 -14.391 -1.059 -2.087 206 HB3 LYS 28 HB3 LYS 28 -14.089 -2.394 -3.192 207 HG2 LYS 28 HG2 LYS 28 -12.494 -1.902 -0.660 208 HG3 LYS 28 HG3 LYS 28 -13.811 -3.048 -0.856 209 HD2 LYS 28 HD2 LYS 28 -12.479 -4.148 -2.738 210 HD3 LYS 28 HD3 LYS 28 -11.117 -3.122 -2.276 211 HE2 LYS 28 HE2 LYS 28 -11.397 -4.036 0.088 212 HE3 LYS 28 HE3 LYS 28 -12.552 -5.199 -0.569 213 HZ1 LYS 28 HZ1 LYS 28 -10.698 -5.874 -2.121 214 HZ2 LYS 28 HZ2 LYS 28 -10.408 -6.231 -0.530 215 HZ3 LYS 28 HZ3 LYS 28 -9.703 -4.906 -1.268 216 H LYS 29 H LYS 29 -12.912 -2.225 -5.504 217 HA LYS 29 HA LYS 29 -13.018 0.127 -7.154 218 HB2 LYS 29 HB2 LYS 29 -13.127 -2.767 -8.045 219 HB3 LYS 29 HB3 LYS 29 -12.844 -1.344 -9.055 220 HG2 LYS 29 HG2 LYS 29 -10.917 -0.956 -7.130 221 HG3 LYS 29 HG3 LYS 29 -11.012 -2.713 -7.124 222 HD2 LYS 29 HD2 LYS 29 -10.589 -2.696 -9.595 223 HD3 LYS 29 HD3 LYS 29 -10.465 -0.933 -9.547 224 HE2 LYS 29 HE2 LYS 29 -8.586 -1.112 -7.902 225 HE3 LYS 29 HE3 LYS 29 -8.731 -2.878 -7.965 226 HZ1 LYS 29 HZ1 LYS 29 -7.950 -1.116 -10.216 227 HZ2 LYS 29 HZ2 LYS 29 -8.244 -2.722 -10.355 228 HZ3 LYS 29 HZ3 LYS 29 -6.995 -2.220 -9.416 229 H LYS 30 H LYS 30 -14.721 1.306 -7.172 230 HA LYS 30 HA LYS 30 -16.951 0.379 -8.853 231 HB2 LYS 30 HB2 LYS 30 -17.651 0.165 -6.352 232 HB3 LYS 30 HB3 LYS 30 -17.555 1.921 -6.292 233 HG2 LYS 30 HG2 LYS 30 -19.105 1.688 -8.491 234 HG3 LYS 30 HG3 LYS 30 -19.473 0.122 -7.767 235 HD2 LYS 30 HD2 LYS 30 -20.143 1.381 -5.647 236 HD3 LYS 30 HD3 LYS 30 -19.878 2.891 -6.554 237 HE2 LYS 30 HE2 LYS 30 -21.490 1.845 -8.330 238 HE3 LYS 30 HE3 LYS 30 -21.928 0.696 -7.069 239 HZ1 LYS 30 HZ1 LYS 30 -22.496 2.722 -5.681 240 HZ2 LYS 30 HZ2 LYS 30 -23.452 2.510 -7.005 241 HZ3 LYS 30 HZ3 LYS 30 -22.260 3.627 -7.043 242 H LEU 31 H LEU 31 -16.598 1.734 -10.536 243 HA LEU 31 HA LEU 31 -16.671 4.622 -10.116 244 HB2 LEU 31 HB2 LEU 31 -14.209 3.813 -10.022 245 HB3 LEU 31 HB3 LEU 31 -14.380 3.523 -11.750 246 HG LEU 31 HG LEU 31 -15.211 6.068 -11.793 247 HD11 LEU 31 HD11 LEU 31 -15.341 6.420 -9.407 248 HD12 LEU 31 HD12 LEU 31 -14.041 7.421 -10.061 249 HD13 LEU 31 HD13 LEU 31 -13.647 5.933 -9.190 250 HD21 LEU 31 HD21 LEU 31 -12.995 6.868 -12.188 251 HD22 LEU 31 HD22 LEU 31 -13.108 5.232 -12.842 252 HD23 LEU 31 HD23 LEU 31 -12.266 5.525 -11.301 253 H LEU 32 H LEU 32 -18.632 2.923 -11.241 254 HA LEU 32 HA LEU 32 -18.210 2.916 -14.192 255 HB2 LEU 32 HB2 LEU 32 -20.375 1.657 -14.202 256 HB3 LEU 32 HB3 LEU 32 -19.026 0.831 -13.447 257 HG LEU 32 HG LEU 32 -20.717 2.429 -11.525 258 HD11 LEU 32 HD11 LEU 32 -22.496 0.709 -11.469 259 HD12 LEU 32 HD12 LEU 32 -21.807 -0.044 -12.927 260 HD13 LEU 32 HD13 LEU 32 -22.478 1.597 -12.998 261 HD21 LEU 32 HD21 LEU 32 -19.698 -0.454 -11.526 262 HD22 LEU 32 HD22 LEU 32 -20.465 0.382 -10.166 263 HD23 LEU 32 HD23 LEU 32 -18.881 0.914 -10.763 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 4.541 -6.395 -1.569 2 H2 GLY 1 H2 GLY 1 3.350 -7.428 -2.027 3 H3 GLY 1 H3 GLY 1 2.967 -5.981 -1.336 4 HA2 GLY 1 HA2 GLY 1 4.240 -8.303 -0.036 5 HA3 GLY 1 HA3 GLY 1 4.121 -6.701 0.716 6 HA PRO 2 HA PRO 2 -0.361 -7.532 1.213 7 HB2 PRO 2 HB2 PRO 2 -1.053 -5.088 2.132 8 HB3 PRO 2 HB3 PRO 2 -0.232 -6.281 3.182 9 HG2 PRO 2 HG2 PRO 2 1.050 -4.007 1.618 10 HG3 PRO 2 HG3 PRO 2 1.198 -4.348 3.372 11 HD2 PRO 2 HD2 PRO 2 3.024 -5.240 1.564 12 HD3 PRO 2 HD3 PRO 2 2.588 -6.217 2.984 13 H TYR 3 H TYR 3 -2.086 -6.052 0.285 14 HA TYR 3 HA TYR 3 -1.201 -4.318 -1.935 15 HB2 TYR 3 HB2 TYR 3 -3.606 -6.142 -2.025 16 HB3 TYR 3 HB3 TYR 3 -3.341 -4.791 -3.116 17 HD1 TYR 3 HD1 TYR 3 -2.508 -8.244 -2.471 18 HD2 TYR 3 HD2 TYR 3 -1.290 -4.685 -4.585 19 HE1 TYR 3 HE1 TYR 3 -1.085 -9.621 -3.957 20 HE2 TYR 3 HE2 TYR 3 0.122 -6.064 -6.089 21 HH TYR 3 HH TYR 3 0.105 -9.617 -5.954 22 H CYS 4 H CYS 4 -4.032 -3.199 -2.175 23 HA CYS 4 HA CYS 4 -4.445 -2.218 0.597 24 HB2 CYS 4 HB2 CYS 4 -4.433 0.178 -0.399 25 HB3 CYS 4 HB3 CYS 4 -2.972 -0.612 0.145 26 H GLN 5 H GLN 5 -5.651 -1.733 -2.732 27 HA GLN 5 HA GLN 5 -8.412 -1.357 -1.970 28 HB2 GLN 5 HB2 GLN 5 -8.848 -1.453 -4.278 29 HB3 GLN 5 HB3 GLN 5 -7.315 -0.624 -4.142 30 HG2 GLN 5 HG2 GLN 5 -7.776 -3.512 -5.038 31 HG3 GLN 5 HG3 GLN 5 -7.439 -2.134 -6.048 32 HE21 GLN 5 HE21 GLN 5 -5.464 -2.280 -6.902 33 HE22 GLN 5 HE22 GLN 5 -4.055 -2.979 -6.124 34 H LYS 6 H LYS 6 -6.393 -4.136 -2.685 35 HA LYS 6 HA LYS 6 -8.626 -6.060 -2.272 36 HB2 LYS 6 HB2 LYS 6 -7.018 -6.033 -4.291 37 HB3 LYS 6 HB3 LYS 6 -5.784 -6.637 -3.184 38 HG2 LYS 6 HG2 LYS 6 -7.213 -8.639 -2.736 39 HG3 LYS 6 HG3 LYS 6 -8.464 -7.981 -3.795 40 HD2 LYS 6 HD2 LYS 6 -6.949 -8.146 -5.719 41 HD3 LYS 6 HD3 LYS 6 -5.616 -8.635 -4.666 42 HE2 LYS 6 HE2 LYS 6 -6.938 -10.639 -3.951 43 HE3 LYS 6 HE3 LYS 6 -8.223 -10.173 -5.079 44 HZ1 LYS 6 HZ1 LYS 6 -6.754 -11.805 -6.071 45 HZ2 LYS 6 HZ2 LYS 6 -5.431 -10.837 -5.820 46 HZ3 LYS 6 HZ3 LYS 6 -6.590 -10.367 -6.872 47 H TRP 7 H TRP 7 -6.809 -4.463 -0.192 48 HA TRP 7 HA TRP 7 -6.384 -6.759 1.689 49 HB2 TRP 7 HB2 TRP 7 -4.382 -5.667 0.186 50 HB3 TRP 7 HB3 TRP 7 -4.327 -4.596 1.574 51 HD1 TRP 7 HD1 TRP 7 -3.663 -5.765 3.920 52 HE1 TRP 7 HE1 TRP 7 -2.465 -7.948 4.540 53 HE3 TRP 7 HE3 TRP 7 -3.933 -8.151 -0.604 54 HZ2 TRP 7 HZ2 TRP 7 -1.781 -10.419 3.273 55 HZ3 TRP 7 HZ3 TRP 7 -2.941 -10.416 -0.872 56 HH2 TRP 7 HH2 TRP 7 -1.883 -11.563 1.049 57 H MET 8 H MET 8 -7.932 -3.898 1.270 58 HA MET 8 HA MET 8 -9.035 -2.477 2.564 59 HB2 MET 8 HB2 MET 8 -8.975 -4.815 4.488 60 HB3 MET 8 HB3 MET 8 -10.067 -3.425 4.606 61 HG2 MET 8 HG2 MET 8 -10.930 -3.912 2.318 62 HG3 MET 8 HG3 MET 8 -9.884 -5.330 2.245 63 HE1 MET 8 HE1 MET 8 -13.017 -7.400 2.549 64 HE2 MET 8 HE2 MET 8 -12.817 -5.960 1.537 65 HE3 MET 8 HE3 MET 8 -11.469 -7.104 1.734 66 H GLN 9 H GLN 9 -6.829 -1.422 2.489 67 HA GLN 9 HA GLN 9 -5.237 -1.021 4.733 68 HB2 GLN 9 HB2 GLN 9 -4.241 0.790 3.420 69 HB3 GLN 9 HB3 GLN 9 -4.535 -0.630 2.426 70 HG2 GLN 9 HG2 GLN 9 -6.401 0.335 1.322 71 HG3 GLN 9 HG3 GLN 9 -6.638 1.566 2.543 72 HE21 GLN 9 HE21 GLN 9 -3.409 2.191 2.237 73 HE22 GLN 9 HE22 GLN 9 -3.646 3.317 0.907 74 H THR 10 H THR 10 -7.833 -0.464 5.898 75 HA THR 10 HA THR 10 -8.967 1.107 7.200 76 HB THR 10 HB THR 10 -6.146 1.796 8.009 77 HG1 THR 10 HG1 THR 10 -6.334 -0.001 9.320 78 HG21 THR 10 HG21 THR 10 -8.202 2.952 9.156 79 HG22 THR 10 HG22 THR 10 -7.029 2.131 10.193 80 HG23 THR 10 HG23 THR 10 -8.567 1.351 9.793 81 H CYS 11 H CYS 11 -9.524 2.273 5.096 82 HA CYS 11 HA CYS 11 -7.955 4.633 4.446 83 HB2 CYS 11 HB2 CYS 11 -9.126 2.950 2.882 84 HB3 CYS 11 HB3 CYS 11 -10.544 3.990 3.077 85 H ASP 12 H ASP 12 -8.094 5.843 6.220 86 HA ASP 12 HA ASP 12 -10.605 7.256 6.979 87 HB2 ASP 12 HB2 ASP 12 -7.848 7.295 8.267 88 HB3 ASP 12 HB3 ASP 12 -9.369 7.819 8.981 89 H SER 13 H SER 13 -9.662 9.641 7.942 90 HA SER 13 HA SER 13 -9.298 11.392 5.812 91 HB2 SER 13 HB2 SER 13 -9.909 12.102 8.074 92 HB3 SER 13 HB3 SER 13 -8.305 11.670 8.672 93 HG SER 13 HG SER 13 -8.989 13.961 7.904 94 H GLU 14 H GLU 14 -6.649 9.882 7.701 95 HA GLU 14 HA GLU 14 -4.636 11.385 6.162 96 HB2 GLU 14 HB2 GLU 14 -4.336 9.425 8.466 97 HB3 GLU 14 HB3 GLU 14 -3.034 10.388 7.780 98 HG2 GLU 14 HG2 GLU 14 -5.489 11.415 9.253 99 HG3 GLU 14 HG3 GLU 14 -3.830 11.367 9.844 100 H ARG 15 H ARG 15 -6.183 8.473 5.491 101 HA ARG 15 HA ARG 15 -3.674 7.156 4.614 102 HB2 ARG 15 HB2 ARG 15 -6.320 6.146 5.365 103 HB3 ARG 15 HB3 ARG 15 -5.711 5.394 3.894 104 HG2 ARG 15 HG2 ARG 15 -3.943 5.685 6.367 105 HG3 ARG 15 HG3 ARG 15 -5.050 4.319 6.190 106 HD2 ARG 15 HD2 ARG 15 -4.017 3.546 4.176 107 HD3 ARG 15 HD3 ARG 15 -3.038 5.043 4.022 108 HE ARG 15 HE ARG 15 -1.560 4.286 5.650 109 HH11 ARG 15 HH11 ARG 15 -4.327 2.074 5.703 110 HH12 ARG 15 HH12 ARG 15 -3.518 1.009 6.817 111 HH21 ARG 15 HH21 ARG 15 -0.709 3.012 7.036 112 HH22 ARG 15 HH22 ARG 15 -1.577 1.600 7.667 113 H LYS 16 H LYS 16 -3.265 6.380 2.634 114 HA LYS 16 HA LYS 16 -4.103 8.198 0.439 115 HB2 LYS 16 HB2 LYS 16 -1.690 6.381 0.833 116 HB3 LYS 16 HB3 LYS 16 -1.977 7.377 -0.589 117 HG2 LYS 16 HG2 LYS 16 -1.904 9.418 0.728 118 HG3 LYS 16 HG3 LYS 16 -1.800 8.514 2.243 119 HD2 LYS 16 HD2 LYS 16 0.390 7.637 1.663 120 HD3 LYS 16 HD3 LYS 16 0.278 8.354 0.046 121 HE2 LYS 16 HE2 LYS 16 1.708 9.702 1.458 122 HE3 LYS 16 HE3 LYS 16 0.284 10.606 0.963 123 HZ1 LYS 16 HZ1 LYS 16 0.793 10.952 3.263 124 HZ2 LYS 16 HZ2 LYS 16 0.672 9.367 3.642 125 HZ3 LYS 16 HZ3 LYS 16 -0.664 10.224 3.151 126 H CYS 17 H CYS 17 -5.767 7.457 -0.708 127 HA CYS 17 HA CYS 17 -6.552 4.713 -0.571 128 HB2 CYS 17 HB2 CYS 17 -7.998 6.795 -0.774 129 HB3 CYS 17 HB3 CYS 17 -7.620 6.783 -2.488 130 H CYS 18 H CYS 18 -4.951 3.501 -1.337 131 HA CYS 18 HA CYS 18 -3.458 2.565 -2.958 132 HB2 CYS 18 HB2 CYS 18 -5.441 1.299 -1.929 133 HB3 CYS 18 HB3 CYS 18 -6.233 1.452 -3.478 134 H GLU 19 H GLU 19 -6.513 3.047 -4.745 135 HA GLU 19 HA GLU 19 -5.027 3.556 -7.263 136 HB2 GLU 19 HB2 GLU 19 -7.036 1.325 -6.779 137 HB3 GLU 19 HB3 GLU 19 -6.650 1.936 -8.404 138 HG2 GLU 19 HG2 GLU 19 -4.255 1.547 -8.011 139 HG3 GLU 19 HG3 GLU 19 -4.609 0.838 -6.437 140 H GLY 20 H GLY 20 -6.341 5.387 -5.511 141 HA2 GLY 20 HA2 GLY 20 -7.588 7.255 -5.739 142 HA3 GLY 20 HA3 GLY 20 -7.681 6.936 -7.470 143 H MET 21 H MET 21 -8.989 4.707 -5.066 144 HA MET 21 HA MET 21 -11.671 4.907 -6.286 145 HB2 MET 21 HB2 MET 21 -10.583 2.951 -4.229 146 HB3 MET 21 HB3 MET 21 -12.106 2.813 -5.095 147 HG2 MET 21 HG2 MET 21 -9.413 2.833 -6.500 148 HG3 MET 21 HG3 MET 21 -10.216 1.378 -5.950 149 HE1 MET 21 HE1 MET 21 -9.286 2.508 -9.082 150 HE2 MET 21 HE2 MET 21 -9.605 0.830 -8.607 151 HE3 MET 21 HE3 MET 21 -10.495 1.562 -9.963 152 H VAL 22 H VAL 22 -13.363 4.190 -4.343 153 HA VAL 22 HA VAL 22 -13.864 6.521 -2.708 154 HB VAL 22 HB VAL 22 -15.041 3.717 -2.761 155 HG11 VAL 22 HG11 VAL 22 -16.885 4.656 -1.372 156 HG12 VAL 22 HG12 VAL 22 -15.369 4.559 -0.482 157 HG13 VAL 22 HG13 VAL 22 -15.922 6.129 -1.135 158 HG21 VAL 22 HG21 VAL 22 -16.999 4.951 -3.711 159 HG22 VAL 22 HG22 VAL 22 -16.057 6.451 -3.670 160 HG23 VAL 22 HG23 VAL 22 -15.551 5.117 -4.717 161 H CYS 23 H CYS 23 -13.056 6.995 -0.738 162 HA CYS 23 HA CYS 23 -11.526 4.927 0.766 163 HB2 CYS 23 HB2 CYS 23 -10.399 6.943 -0.172 164 HB3 CYS 23 HB3 CYS 23 -11.394 7.940 0.871 165 H ARG 24 H ARG 24 -13.381 3.995 1.735 166 HA ARG 24 HA ARG 24 -14.218 5.373 4.238 167 HB2 ARG 24 HB2 ARG 24 -16.159 4.122 2.240 168 HB3 ARG 24 HB3 ARG 24 -16.487 4.205 3.959 169 HG2 ARG 24 HG2 ARG 24 -17.560 6.112 3.368 170 HG3 ARG 24 HG3 ARG 24 -15.957 6.790 3.698 171 HD2 ARG 24 HD2 ARG 24 -15.477 6.458 1.185 172 HD3 ARG 24 HD3 ARG 24 -17.188 6.060 0.998 173 HE ARG 24 HE ARG 24 -16.490 8.537 2.464 174 HH11 ARG 24 HH11 ARG 24 -17.779 7.389 -0.688 175 HH12 ARG 24 HH12 ARG 24 -18.220 9.013 -1.067 176 HH21 ARG 24 HH21 ARG 24 -17.081 10.379 1.835 177 HH22 ARG 24 HH22 ARG 24 -17.594 10.712 0.178 178 H LEU 25 H LEU 25 -13.146 4.214 5.647 179 HA LEU 25 HA LEU 25 -12.219 2.533 6.826 180 HB2 LEU 25 HB2 LEU 25 -14.420 0.764 5.671 181 HB3 LEU 25 HB3 LEU 25 -13.266 0.303 6.904 182 HG LEU 25 HG LEU 25 -14.174 2.292 8.285 183 HD11 LEU 25 HD11 LEU 25 -16.516 2.867 7.915 184 HD12 LEU 25 HD12 LEU 25 -16.564 1.852 6.424 185 HD13 LEU 25 HD13 LEU 25 -15.607 3.331 6.509 186 HD21 LEU 25 HD21 LEU 25 -15.922 0.877 9.224 187 HD22 LEU 25 HD22 LEU 25 -14.516 -0.096 8.806 188 HD23 LEU 25 HD23 LEU 25 -15.938 -0.131 7.745 189 H TRP 26 H TRP 26 -12.632 1.812 3.419 190 HA TRP 26 HA TRP 26 -9.889 0.784 3.214 191 HB2 TRP 26 HB2 TRP 26 -11.121 -1.120 1.731 192 HB3 TRP 26 HB3 TRP 26 -10.625 -1.284 3.400 193 HD1 TRP 26 HD1 TRP 26 -12.325 -2.013 5.103 194 HE1 TRP 26 HE1 TRP 26 -14.878 -2.232 5.246 195 HE3 TRP 26 HE3 TRP 26 -13.584 0.435 0.791 196 HZ2 TRP 26 HZ2 TRP 26 -17.160 -1.375 3.733 197 HZ3 TRP 26 HZ3 TRP 26 -15.960 0.753 0.192 198 HH2 TRP 26 HH2 TRP 26 -17.753 -0.191 1.618 199 H CYS 27 H CYS 27 -9.430 0.329 0.774 200 HA CYS 27 HA CYS 27 -10.644 2.534 -0.822 201 HB2 CYS 27 HB2 CYS 27 -8.236 2.730 -0.195 202 HB3 CYS 27 HB3 CYS 27 -7.916 1.301 -1.182 203 H LYS 28 H LYS 28 -12.235 0.368 -0.776 204 HA LYS 28 HA LYS 28 -11.577 -1.790 -2.580 205 HB2 LYS 28 HB2 LYS 28 -14.255 -0.763 -1.562 206 HB3 LYS 28 HB3 LYS 28 -14.104 -2.193 -2.560 207 HG2 LYS 28 HG2 LYS 28 -12.732 -1.870 0.126 208 HG3 LYS 28 HG3 LYS 28 -14.325 -2.585 -0.063 209 HD2 LYS 28 HD2 LYS 28 -11.828 -3.730 -1.376 210 HD3 LYS 28 HD3 LYS 28 -12.370 -4.138 0.236 211 HE2 LYS 28 HE2 LYS 28 -13.240 -5.881 -0.975 212 HE3 LYS 28 HE3 LYS 28 -14.629 -4.813 -0.816 213 HZ1 LYS 28 HZ1 LYS 28 -14.293 -4.115 -3.124 214 HZ2 LYS 28 HZ2 LYS 28 -14.322 -5.717 -3.075 215 HZ3 LYS 28 HZ3 LYS 28 -12.888 -4.905 -3.240 216 H LYS 29 H LYS 29 -12.041 -2.153 -4.709 217 HA LYS 29 HA LYS 29 -11.995 0.136 -6.410 218 HB2 LYS 29 HB2 LYS 29 -12.481 -2.778 -7.102 219 HB3 LYS 29 HB3 LYS 29 -12.226 -1.492 -8.294 220 HG2 LYS 29 HG2 LYS 29 -9.996 -0.994 -7.289 221 HG3 LYS 29 HG3 LYS 29 -10.255 -2.260 -6.096 222 HD2 LYS 29 HD2 LYS 29 -8.798 -3.153 -7.711 223 HD3 LYS 29 HD3 LYS 29 -10.357 -3.949 -7.932 224 HE2 LYS 29 HE2 LYS 29 -10.813 -2.529 -9.906 225 HE3 LYS 29 HE3 LYS 29 -9.326 -1.608 -9.602 226 HZ1 LYS 29 HZ1 LYS 29 -8.917 -3.252 -11.298 227 HZ2 LYS 29 HZ2 LYS 29 -9.455 -4.489 -10.344 228 HZ3 LYS 29 HZ3 LYS 29 -8.077 -3.673 -9.986 229 H LYS 30 H LYS 30 -13.486 1.321 -7.412 230 HA LYS 30 HA LYS 30 -16.361 0.570 -7.284 231 HB2 LYS 30 HB2 LYS 30 -15.263 1.673 -5.065 232 HB3 LYS 30 HB3 LYS 30 -15.501 3.151 -5.964 233 HG2 LYS 30 HG2 LYS 30 -17.492 2.932 -4.711 234 HG3 LYS 30 HG3 LYS 30 -17.958 2.325 -6.289 235 HD2 LYS 30 HD2 LYS 30 -18.827 0.689 -4.821 236 HD3 LYS 30 HD3 LYS 30 -17.312 -0.040 -5.338 237 HE2 LYS 30 HE2 LYS 30 -17.230 -0.357 -3.026 238 HE3 LYS 30 HE3 LYS 30 -16.278 1.122 -3.224 239 HZ1 LYS 30 HZ1 LYS 30 -17.886 1.544 -1.470 240 HZ2 LYS 30 HZ2 LYS 30 -19.102 0.880 -2.337 241 HZ3 LYS 30 HZ3 LYS 30 -18.494 2.317 -2.761 242 H LEU 31 H LEU 31 -14.764 1.030 -9.607 243 HA LEU 31 HA LEU 31 -15.574 3.755 -10.530 244 HB2 LEU 31 HB2 LEU 31 -13.383 3.701 -9.402 245 HB3 LEU 31 HB3 LEU 31 -12.828 2.465 -10.531 246 HG LEU 31 HG LEU 31 -12.920 4.093 -12.389 247 HD11 LEU 31 HD11 LEU 31 -14.679 5.601 -11.779 248 HD12 LEU 31 HD12 LEU 31 -13.203 6.544 -11.721 249 HD13 LEU 31 HD13 LEU 31 -13.953 5.966 -10.209 250 HD21 LEU 31 HD21 LEU 31 -11.078 5.566 -11.499 251 HD22 LEU 31 HD22 LEU 31 -10.864 3.854 -11.129 252 HD23 LEU 31 HD23 LEU 31 -11.418 4.925 -9.861 253 H LEU 32 H LEU 32 -15.918 4.070 -12.655 254 HA LEU 32 HA LEU 32 -15.361 1.825 -14.620 255 HB2 LEU 32 HB2 LEU 32 -17.160 4.311 -14.688 256 HB3 LEU 32 HB3 LEU 32 -16.841 3.310 -16.110 257 HG LEU 32 HG LEU 32 -17.992 2.151 -13.518 258 HD11 LEU 32 HD11 LEU 32 -19.499 3.924 -14.296 259 HD12 LEU 32 HD12 LEU 32 -20.214 2.337 -14.612 260 HD13 LEU 32 HD13 LEU 32 -19.481 3.258 -15.943 261 HD21 LEU 32 HD21 LEU 32 -18.096 1.177 -16.420 262 HD22 LEU 32 HD22 LEU 32 -18.808 0.368 -15.007 263 HD23 LEU 32 HD23 LEU 32 -17.052 0.502 -15.161 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 3.973 -8.812 -2.925 2 H2 GLY 1 H2 GLY 1 3.838 -7.974 -4.340 3 H3 GLY 1 H3 GLY 1 5.181 -7.790 -3.393 4 HA2 GLY 1 HA2 GLY 1 3.919 -6.819 -1.641 5 HA3 GLY 1 HA3 GLY 1 3.798 -5.892 -3.147 6 HA PRO 2 HA PRO 2 -0.584 -7.377 -2.084 7 HB2 PRO 2 HB2 PRO 2 -1.279 -6.663 0.443 8 HB3 PRO 2 HB3 PRO 2 -0.514 -8.239 0.088 9 HG2 PRO 2 HG2 PRO 2 0.826 -5.693 1.053 10 HG3 PRO 2 HG3 PRO 2 0.976 -7.340 1.746 11 HD2 PRO 2 HD2 PRO 2 2.781 -6.303 -0.041 12 HD3 PRO 2 HD3 PRO 2 2.377 -8.047 0.001 13 H TYR 3 H TYR 3 -2.342 -5.648 -1.311 14 HA TYR 3 HA TYR 3 -1.447 -2.960 -2.286 15 HB2 TYR 3 HB2 TYR 3 -3.980 -4.185 -3.332 16 HB3 TYR 3 HB3 TYR 3 -2.865 -3.103 -4.116 17 HD1 TYR 3 HD1 TYR 3 -3.477 -6.657 -3.154 18 HD2 TYR 3 HD2 TYR 3 -1.139 -3.976 -5.595 19 HE1 TYR 3 HE1 TYR 3 -2.536 -8.603 -4.387 20 HE2 TYR 3 HE2 TYR 3 -0.214 -5.935 -6.825 21 HH TYR 3 HH TYR 3 -0.635 -8.198 -7.289 22 H CYS 4 H CYS 4 -2.355 -1.453 -1.120 23 HA CYS 4 HA CYS 4 -3.917 -1.340 1.046 24 HB2 CYS 4 HB2 CYS 4 -4.722 0.788 -0.766 25 HB3 CYS 4 HB3 CYS 4 -3.703 0.825 0.651 26 H GLN 5 H GLN 5 -5.255 -1.291 -2.264 27 HA GLN 5 HA GLN 5 -8.020 -1.117 -1.520 28 HB2 GLN 5 HB2 GLN 5 -7.180 -0.317 -3.627 29 HB3 GLN 5 HB3 GLN 5 -6.568 -1.897 -4.084 30 HG2 GLN 5 HG2 GLN 5 -9.537 -1.611 -3.592 31 HG3 GLN 5 HG3 GLN 5 -8.853 -0.872 -5.027 32 HE21 GLN 5 HE21 GLN 5 -7.530 -2.329 -6.481 33 HE22 GLN 5 HE22 GLN 5 -8.129 -3.994 -6.658 34 H LYS 6 H LYS 6 -6.100 -3.863 -2.719 35 HA LYS 6 HA LYS 6 -8.165 -5.824 -2.271 36 HB2 LYS 6 HB2 LYS 6 -5.619 -5.642 -3.646 37 HB3 LYS 6 HB3 LYS 6 -5.681 -7.138 -2.711 38 HG2 LYS 6 HG2 LYS 6 -7.685 -7.843 -3.795 39 HG3 LYS 6 HG3 LYS 6 -7.981 -6.232 -4.457 40 HD2 LYS 6 HD2 LYS 6 -6.190 -6.395 -6.029 41 HD3 LYS 6 HD3 LYS 6 -5.564 -7.860 -5.267 42 HE2 LYS 6 HE2 LYS 6 -6.796 -8.401 -7.331 43 HE3 LYS 6 HE3 LYS 6 -7.544 -9.126 -5.906 44 HZ1 LYS 6 HZ1 LYS 6 -9.244 -8.137 -7.283 45 HZ2 LYS 6 HZ2 LYS 6 -8.503 -6.670 -7.284 46 HZ3 LYS 6 HZ3 LYS 6 -9.159 -7.277 -5.905 47 H TRP 7 H TRP 7 -6.411 -4.402 0.088 48 HA TRP 7 HA TRP 7 -7.108 -6.677 1.845 49 HB2 TRP 7 HB2 TRP 7 -4.428 -5.443 1.603 50 HB3 TRP 7 HB3 TRP 7 -4.967 -5.807 3.221 51 HD1 TRP 7 HD1 TRP 7 -3.678 -7.538 0.151 52 HE1 TRP 7 HE1 TRP 7 -3.550 -10.084 0.551 53 HE3 TRP 7 HE3 TRP 7 -6.603 -7.842 4.319 54 HZ2 TRP 7 HZ2 TRP 7 -4.513 -11.978 2.487 55 HZ3 TRP 7 HZ3 TRP 7 -7.045 -10.053 5.390 56 HH2 TRP 7 HH2 TRP 7 -5.963 -12.110 4.512 57 H MET 8 H MET 8 -8.346 -3.878 1.290 58 HA MET 8 HA MET 8 -9.620 -2.453 2.533 59 HB2 MET 8 HB2 MET 8 -9.733 -4.824 4.438 60 HB3 MET 8 HB3 MET 8 -10.766 -3.405 4.513 61 HG2 MET 8 HG2 MET 8 -11.400 -3.924 2.070 62 HG3 MET 8 HG3 MET 8 -10.681 -5.510 2.343 63 HE1 MET 8 HE1 MET 8 -13.965 -5.057 1.579 64 HE2 MET 8 HE2 MET 8 -14.900 -4.511 2.986 65 HE3 MET 8 HE3 MET 8 -13.667 -3.457 2.280 66 H GLN 9 H GLN 9 -7.288 -1.517 2.690 67 HA GLN 9 HA GLN 9 -5.697 -1.401 4.879 68 HB2 GLN 9 HB2 GLN 9 -4.781 0.594 3.813 69 HB3 GLN 9 HB3 GLN 9 -5.188 -0.626 2.626 70 HG2 GLN 9 HG2 GLN 9 -7.230 0.553 1.974 71 HG3 GLN 9 HG3 GLN 9 -7.078 1.671 3.329 72 HE21 GLN 9 HE21 GLN 9 -4.146 2.262 2.984 73 HE22 GLN 9 HE22 GLN 9 -4.293 3.391 1.630 74 H THR 10 H THR 10 -8.691 -0.355 5.694 75 HA THR 10 HA THR 10 -9.659 1.458 6.757 76 HB THR 10 HB THR 10 -7.014 1.974 8.122 77 HG1 THR 10 HG1 THR 10 -7.127 0.065 8.826 78 HG21 THR 10 HG21 THR 10 -9.938 2.114 8.981 79 HG22 THR 10 HG22 THR 10 -8.903 3.511 8.618 80 HG23 THR 10 HG23 THR 10 -8.518 2.476 9.991 81 H CYS 11 H CYS 11 -9.808 2.506 4.590 82 HA CYS 11 HA CYS 11 -7.835 4.528 3.911 83 HB2 CYS 11 HB2 CYS 11 -9.164 3.120 2.322 84 HB3 CYS 11 HB3 CYS 11 -10.560 4.142 2.709 85 H ASP 12 H ASP 12 -7.858 5.676 5.913 86 HA ASP 12 HA ASP 12 -10.070 7.379 6.712 87 HB2 ASP 12 HB2 ASP 12 -7.125 7.312 7.448 88 HB3 ASP 12 HB3 ASP 12 -8.283 8.443 8.144 89 H SER 13 H SER 13 -10.003 9.743 6.846 90 HA SER 13 HA SER 13 -9.580 11.024 4.334 91 HB2 SER 13 HB2 SER 13 -11.121 11.694 6.221 92 HB3 SER 13 HB3 SER 13 -9.716 12.332 7.079 93 HG SER 13 HG SER 13 -9.391 13.775 5.350 94 H GLU 14 H GLU 14 -7.276 10.268 6.808 95 HA GLU 14 HA GLU 14 -5.197 11.996 5.522 96 HB2 GLU 14 HB2 GLU 14 -5.005 10.512 8.146 97 HB3 GLU 14 HB3 GLU 14 -3.847 11.643 7.456 98 HG2 GLU 14 HG2 GLU 14 -5.520 13.482 7.709 99 HG3 GLU 14 HG3 GLU 14 -6.624 12.345 8.484 100 H ARG 15 H ARG 15 -6.304 9.241 4.496 101 HA ARG 15 HA ARG 15 -3.704 7.746 4.500 102 HB2 ARG 15 HB2 ARG 15 -5.611 6.726 5.764 103 HB3 ARG 15 HB3 ARG 15 -6.531 6.715 4.275 104 HG2 ARG 15 HG2 ARG 15 -5.711 4.489 4.765 105 HG3 ARG 15 HG3 ARG 15 -5.068 5.087 3.252 106 HD2 ARG 15 HD2 ARG 15 -3.424 3.850 4.741 107 HD3 ARG 15 HD3 ARG 15 -2.892 5.492 4.266 108 HE ARG 15 HE ARG 15 -3.056 6.184 6.474 109 HH11 ARG 15 HH11 ARG 15 -4.893 3.063 6.459 110 HH12 ARG 15 HH12 ARG 15 -5.174 3.335 8.155 111 HH21 ARG 15 HH21 ARG 15 -3.479 6.210 8.468 112 HH22 ARG 15 HH22 ARG 15 -4.438 4.919 9.223 113 H LYS 16 H LYS 16 -2.795 7.151 2.666 114 HA LYS 16 HA LYS 16 -3.705 8.038 0.037 115 HB2 LYS 16 HB2 LYS 16 -1.548 6.004 0.732 116 HB3 LYS 16 HB3 LYS 16 -1.723 6.875 -0.781 117 HG2 LYS 16 HG2 LYS 16 -1.045 8.149 1.878 118 HG3 LYS 16 HG3 LYS 16 0.134 7.626 0.687 119 HD2 LYS 16 HD2 LYS 16 -0.467 9.315 -0.857 120 HD3 LYS 16 HD3 LYS 16 -1.970 9.686 0.011 121 HE2 LYS 16 HE2 LYS 16 -0.736 10.514 1.949 122 HE3 LYS 16 HE3 LYS 16 0.806 10.034 1.225 123 HZ1 LYS 16 HZ1 LYS 16 -1.009 12.050 0.030 124 HZ2 LYS 16 HZ2 LYS 16 0.488 11.647 -0.481 125 HZ3 LYS 16 HZ3 LYS 16 0.334 12.413 0.947 126 H CYS 17 H CYS 17 -4.131 6.575 -1.798 127 HA CYS 17 HA CYS 17 -4.521 3.729 -1.073 128 HB2 CYS 17 HB2 CYS 17 -6.726 4.487 -0.853 129 HB3 CYS 17 HB3 CYS 17 -6.669 5.402 -2.351 130 H CYS 18 H CYS 18 -4.178 2.261 -2.555 131 HA CYS 18 HA CYS 18 -2.121 2.437 -4.360 132 HB2 CYS 18 HB2 CYS 18 -4.489 0.550 -4.094 133 HB3 CYS 18 HB3 CYS 18 -3.234 0.281 -5.285 134 H GLU 19 H GLU 19 -5.557 2.827 -5.138 135 HA GLU 19 HA GLU 19 -4.787 3.998 -7.769 136 HB2 GLU 19 HB2 GLU 19 -7.267 3.266 -8.366 137 HB3 GLU 19 HB3 GLU 19 -5.872 2.332 -8.778 138 HG2 GLU 19 HG2 GLU 19 -7.353 1.760 -6.186 139 HG3 GLU 19 HG3 GLU 19 -8.004 1.220 -7.729 140 H GLY 20 H GLY 20 -6.900 4.270 -4.924 141 HA2 GLY 20 HA2 GLY 20 -7.484 6.400 -4.022 142 HA3 GLY 20 HA3 GLY 20 -7.236 7.148 -5.592 143 H MET 21 H MET 21 -9.319 4.700 -4.019 144 HA MET 21 HA MET 21 -11.592 5.455 -5.812 145 HB2 MET 21 HB2 MET 21 -11.124 2.754 -4.528 146 HB3 MET 21 HB3 MET 21 -12.236 3.185 -5.839 147 HG2 MET 21 HG2 MET 21 -9.217 3.012 -5.946 148 HG3 MET 21 HG3 MET 21 -10.370 1.954 -6.722 149 HE1 MET 21 HE1 MET 21 -11.807 4.439 -9.528 150 HE2 MET 21 HE2 MET 21 -12.041 2.855 -8.766 151 HE3 MET 21 HE3 MET 21 -12.472 4.349 -7.886 152 H VAL 22 H VAL 22 -13.551 3.863 -4.365 153 HA VAL 22 HA VAL 22 -14.397 5.830 -2.472 154 HB VAL 22 HB VAL 22 -15.449 2.995 -2.598 155 HG11 VAL 22 HG11 VAL 22 -16.244 4.399 -0.686 156 HG12 VAL 22 HG12 VAL 22 -16.723 5.663 -1.830 157 HG13 VAL 22 HG13 VAL 22 -17.524 4.066 -1.841 158 HG21 VAL 22 HG21 VAL 22 -15.518 3.850 -4.883 159 HG22 VAL 22 HG22 VAL 22 -17.143 3.901 -4.194 160 HG23 VAL 22 HG23 VAL 22 -16.194 5.397 -4.325 161 H CYS 23 H CYS 23 -14.181 6.016 -0.333 162 HA CYS 23 HA CYS 23 -12.065 4.343 0.936 163 HB2 CYS 23 HB2 CYS 23 -11.193 6.096 -0.513 164 HB3 CYS 23 HB3 CYS 23 -12.196 7.300 0.279 165 H ARG 24 H ARG 24 -13.357 3.589 2.622 166 HA ARG 24 HA ARG 24 -13.203 5.155 5.031 167 HB2 ARG 24 HB2 ARG 24 -15.959 3.910 4.760 168 HB3 ARG 24 HB3 ARG 24 -15.339 5.010 5.947 169 HG2 ARG 24 HG2 ARG 24 -16.957 6.208 4.848 170 HG3 ARG 24 HG3 ARG 24 -15.476 6.843 4.130 171 HD2 ARG 24 HD2 ARG 24 -15.837 5.295 2.153 172 HD3 ARG 24 HD3 ARG 24 -17.181 4.532 3.007 173 HE ARG 24 HE ARG 24 -18.544 6.310 2.484 174 HH11 ARG 24 HH11 ARG 24 -15.225 7.433 2.034 175 HH12 ARG 24 HH12 ARG 24 -15.761 8.856 1.173 176 HH21 ARG 24 HH21 ARG 24 -19.099 8.160 1.569 177 HH22 ARG 24 HH22 ARG 24 -17.914 9.325 0.996 178 H LEU 25 H LEU 25 -12.540 3.566 6.543 179 HA LEU 25 HA LEU 25 -11.880 1.581 7.392 180 HB2 LEU 25 HB2 LEU 25 -14.566 0.585 6.375 181 HB3 LEU 25 HB3 LEU 25 -13.474 -0.305 7.416 182 HG LEU 25 HG LEU 25 -13.646 1.631 9.089 183 HD11 LEU 25 HD11 LEU 25 -15.871 2.836 8.996 184 HD12 LEU 25 HD12 LEU 25 -16.057 2.280 7.321 185 HD13 LEU 25 HD13 LEU 25 -14.736 3.385 7.780 186 HD21 LEU 25 HD21 LEU 25 -14.701 -0.556 9.415 187 HD22 LEU 25 HD22 LEU 25 -16.114 -0.030 8.469 188 HD23 LEU 25 HD23 LEU 25 -15.733 0.742 10.024 189 H TRP 26 H TRP 26 -12.532 1.501 4.025 190 HA TRP 26 HA TRP 26 -10.289 -0.275 3.378 191 HB2 TRP 26 HB2 TRP 26 -11.996 -1.316 1.666 192 HB3 TRP 26 HB3 TRP 26 -11.910 -1.890 3.308 193 HD1 TRP 26 HD1 TRP 26 -13.954 -1.913 4.750 194 HE1 TRP 26 HE1 TRP 26 -16.329 -0.981 4.680 195 HE3 TRP 26 HE3 TRP 26 -13.583 1.019 0.548 196 HZ2 TRP 26 HZ2 TRP 26 -17.887 0.767 3.024 197 HZ3 TRP 26 HZ3 TRP 26 -15.515 2.325 -0.212 198 HH2 TRP 26 HH2 TRP 26 -17.675 2.254 1.029 199 H CYS 27 H CYS 27 -9.926 -0.194 0.937 200 HA CYS 27 HA CYS 27 -11.067 2.227 -0.338 201 HB2 CYS 27 HB2 CYS 27 -8.655 2.572 0.064 202 HB3 CYS 27 HB3 CYS 27 -8.310 1.117 -0.868 203 H LYS 28 H LYS 28 -12.388 1.620 -2.011 204 HA LYS 28 HA LYS 28 -12.064 -1.102 -3.235 205 HB2 LYS 28 HB2 LYS 28 -14.627 0.042 -2.067 206 HB3 LYS 28 HB3 LYS 28 -14.524 -1.441 -3.003 207 HG2 LYS 28 HG2 LYS 28 -13.142 -0.981 -0.333 208 HG3 LYS 28 HG3 LYS 28 -14.693 -1.770 -0.527 209 HD2 LYS 28 HD2 LYS 28 -12.053 -2.798 -1.650 210 HD3 LYS 28 HD3 LYS 28 -12.807 -3.316 -0.142 211 HE2 LYS 28 HE2 LYS 28 -14.843 -4.025 -1.477 212 HE3 LYS 28 HE3 LYS 28 -13.922 -3.673 -2.951 213 HZ1 LYS 28 HZ1 LYS 28 -13.214 -5.703 -0.891 214 HZ2 LYS 28 HZ2 LYS 28 -12.240 -5.278 -2.138 215 HZ3 LYS 28 HZ3 LYS 28 -13.696 -5.983 -2.427 216 H LYS 29 H LYS 29 -12.620 -1.309 -5.331 217 HA LYS 29 HA LYS 29 -12.737 1.149 -6.902 218 HB2 LYS 29 HB2 LYS 29 -12.444 -1.787 -7.526 219 HB3 LYS 29 HB3 LYS 29 -13.014 -0.694 -8.793 220 HG2 LYS 29 HG2 LYS 29 -11.065 0.735 -8.562 221 HG3 LYS 29 HG3 LYS 29 -10.487 -0.190 -7.174 222 HD2 LYS 29 HD2 LYS 29 -9.277 -0.598 -9.344 223 HD3 LYS 29 HD3 LYS 29 -9.849 -2.024 -8.486 224 HE2 LYS 29 HE2 LYS 29 -10.184 -2.248 -10.888 225 HE3 LYS 29 HE3 LYS 29 -11.708 -2.308 -10.007 226 HZ1 LYS 29 HZ1 LYS 29 -12.409 -0.773 -11.410 227 HZ2 LYS 29 HZ2 LYS 29 -10.904 -0.494 -12.037 228 HZ3 LYS 29 HZ3 LYS 29 -11.370 0.346 -10.748 229 H LYS 30 H LYS 30 -14.362 2.087 -7.881 230 HA LYS 30 HA LYS 30 -16.943 0.776 -8.303 231 HB2 LYS 30 HB2 LYS 30 -16.694 1.795 -5.816 232 HB3 LYS 30 HB3 LYS 30 -17.087 3.289 -6.645 233 HG2 LYS 30 HG2 LYS 30 -19.185 2.511 -6.032 234 HG3 LYS 30 HG3 LYS 30 -19.074 1.885 -7.680 235 HD2 LYS 30 HD2 LYS 30 -18.100 -0.260 -6.522 236 HD3 LYS 30 HD3 LYS 30 -18.737 0.419 -5.026 237 HE2 LYS 30 HE2 LYS 30 -20.297 -0.253 -7.554 238 HE3 LYS 30 HE3 LYS 30 -20.267 -1.225 -6.081 239 HZ1 LYS 30 HZ1 LYS 30 -22.245 0.075 -6.171 240 HZ2 LYS 30 HZ2 LYS 30 -21.440 1.482 -6.399 241 HZ3 LYS 30 HZ3 LYS 30 -21.339 0.724 -4.950 242 H LEU 31 H LEU 31 -15.256 1.535 -10.226 243 HA LEU 31 HA LEU 31 -16.391 3.962 -11.447 244 HB2 LEU 31 HB2 LEU 31 -14.429 4.650 -9.994 245 HB3 LEU 31 HB3 LEU 31 -13.419 3.609 -11.001 246 HG LEU 31 HG LEU 31 -14.235 5.057 -13.009 247 HD11 LEU 31 HD11 LEU 31 -14.905 7.345 -12.450 248 HD12 LEU 31 HD12 LEU 31 -14.895 6.957 -10.706 249 HD13 LEU 31 HD13 LEU 31 -16.083 6.213 -11.788 250 HD21 LEU 31 HD21 LEU 31 -12.476 6.316 -10.866 251 HD22 LEU 31 HD22 LEU 31 -12.513 6.737 -12.604 252 HD23 LEU 31 HD23 LEU 31 -11.957 5.147 -12.093 253 H LEU 32 H LEU 32 -16.674 3.729 -13.576 254 HA LEU 32 HA LEU 32 -15.789 1.347 -15.004 255 HB2 LEU 32 HB2 LEU 32 -17.049 2.324 -16.847 256 HB3 LEU 32 HB3 LEU 32 -17.938 2.533 -15.344 257 HG LEU 32 HG LEU 32 -16.704 4.945 -15.308 258 HD11 LEU 32 HD11 LEU 32 -15.324 4.704 -17.351 259 HD12 LEU 32 HD12 LEU 32 -16.590 5.877 -17.615 260 HD13 LEU 32 HD13 LEU 32 -16.762 4.250 -18.290 261 HD21 LEU 32 HD21 LEU 32 -18.664 5.865 -16.499 262 HD22 LEU 32 HD22 LEU 32 -19.132 4.575 -15.388 263 HD23 LEU 32 HD23 LEU 32 -19.048 4.249 -17.130 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 4.508 -8.378 -4.193 2 H2 GLY 1 H2 GLY 1 4.009 -8.060 -2.658 3 H3 GLY 1 H3 GLY 1 2.895 -8.287 -3.871 4 HA2 GLY 1 HA2 GLY 1 4.803 -6.063 -3.717 5 HA3 GLY 1 HA3 GLY 1 3.569 -6.306 -4.974 6 HA PRO 2 HA PRO 2 1.571 -3.551 -1.994 7 HB2 PRO 2 HB2 PRO 2 -0.570 -2.763 -3.551 8 HB3 PRO 2 HB3 PRO 2 1.081 -2.079 -3.634 9 HG2 PRO 2 HG2 PRO 2 -0.146 -4.226 -5.384 10 HG3 PRO 2 HG3 PRO 2 0.819 -2.802 -5.877 11 HD2 PRO 2 HD2 PRO 2 1.912 -5.273 -5.643 12 HD3 PRO 2 HD3 PRO 2 2.832 -3.815 -5.160 13 H TYR 3 H TYR 3 0.450 -4.196 -0.356 14 HA TYR 3 HA TYR 3 -2.131 -5.557 -0.758 15 HB2 TYR 3 HB2 TYR 3 -0.101 -6.290 1.292 16 HB3 TYR 3 HB3 TYR 3 -1.814 -6.560 1.557 17 HD1 TYR 3 HD1 TYR 3 -3.174 -7.824 -0.260 18 HD2 TYR 3 HD2 TYR 3 1.125 -7.952 0.089 19 HE1 TYR 3 HE1 TYR 3 -3.136 -9.976 -1.508 20 HE2 TYR 3 HE2 TYR 3 1.151 -10.119 -1.139 21 HH TYR 3 HH TYR 3 -0.270 -11.950 -1.689 22 H CYS 4 H CYS 4 -2.826 -3.435 -1.100 23 HA CYS 4 HA CYS 4 -3.532 -2.040 1.426 24 HB2 CYS 4 HB2 CYS 4 -3.104 0.084 0.171 25 HB3 CYS 4 HB3 CYS 4 -1.698 -0.863 0.611 26 H GLN 5 H GLN 5 -4.380 -1.446 -2.058 27 HA GLN 5 HA GLN 5 -7.154 -1.023 -1.401 28 HB2 GLN 5 HB2 GLN 5 -7.612 -0.934 -3.703 29 HB3 GLN 5 HB3 GLN 5 -6.090 -0.121 -3.460 30 HG2 GLN 5 HG2 GLN 5 -6.450 -2.925 -4.642 31 HG3 GLN 5 HG3 GLN 5 -6.214 -1.465 -5.544 32 HE21 GLN 5 HE21 GLN 5 -4.132 -0.756 -5.990 33 HE22 GLN 5 HE22 GLN 5 -2.707 -1.508 -5.297 34 H LYS 6 H LYS 6 -5.467 -3.831 -2.808 35 HA LYS 6 HA LYS 6 -7.675 -5.644 -2.642 36 HB2 LYS 6 HB2 LYS 6 -4.759 -5.777 -3.288 37 HB3 LYS 6 HB3 LYS 6 -5.469 -7.281 -2.723 38 HG2 LYS 6 HG2 LYS 6 -7.237 -7.162 -4.416 39 HG3 LYS 6 HG3 LYS 6 -6.658 -5.583 -4.952 40 HD2 LYS 6 HD2 LYS 6 -5.997 -7.348 -6.508 41 HD3 LYS 6 HD3 LYS 6 -4.605 -6.543 -5.800 42 HE2 LYS 6 HE2 LYS 6 -4.203 -8.929 -5.986 43 HE3 LYS 6 HE3 LYS 6 -4.204 -8.440 -4.294 44 HZ1 LYS 6 HZ1 LYS 6 -6.558 -9.689 -5.624 45 HZ2 LYS 6 HZ2 LYS 6 -6.364 -9.418 -4.012 46 HZ3 LYS 6 HZ3 LYS 6 -5.433 -10.512 -4.782 47 H TRP 7 H TRP 7 -6.247 -4.322 -0.005 48 HA TRP 7 HA TRP 7 -7.029 -6.632 1.693 49 HB2 TRP 7 HB2 TRP 7 -4.647 -6.824 1.242 50 HB3 TRP 7 HB3 TRP 7 -4.398 -5.186 1.823 51 HD1 TRP 7 HD1 TRP 7 -5.560 -8.592 3.186 52 HE1 TRP 7 HE1 TRP 7 -4.881 -8.800 5.647 53 HE3 TRP 7 HE3 TRP 7 -3.802 -3.846 3.933 54 HZ2 TRP 7 HZ2 TRP 7 -3.751 -7.117 7.689 55 HZ3 TRP 7 HZ3 TRP 7 -2.962 -3.165 6.164 56 HH2 TRP 7 HH2 TRP 7 -2.956 -4.780 8.050 57 H MET 8 H MET 8 -8.051 -3.793 0.990 58 HA MET 8 HA MET 8 -9.318 -2.256 2.058 59 HB2 MET 8 HB2 MET 8 -9.726 -4.671 3.852 60 HB3 MET 8 HB3 MET 8 -10.675 -3.204 4.012 61 HG2 MET 8 HG2 MET 8 -11.095 -3.403 1.450 62 HG3 MET 8 HG3 MET 8 -10.478 -5.039 1.619 63 HE1 MET 8 HE1 MET 8 -14.227 -5.720 1.008 64 HE2 MET 8 HE2 MET 8 -13.178 -4.501 0.243 65 HE3 MET 8 HE3 MET 8 -12.556 -6.133 0.578 66 H GLN 9 H GLN 9 -7.026 -1.422 2.332 67 HA GLN 9 HA GLN 9 -5.588 -1.239 4.575 68 HB2 GLN 9 HB2 GLN 9 -4.418 0.624 3.495 69 HB3 GLN 9 HB3 GLN 9 -4.842 -0.639 2.378 70 HG2 GLN 9 HG2 GLN 9 -6.825 0.709 1.600 71 HG3 GLN 9 HG3 GLN 9 -6.322 2.009 2.678 72 HE21 GLN 9 HE21 GLN 9 -3.684 2.445 2.271 73 HE22 GLN 9 HE22 GLN 9 -3.360 2.723 0.574 74 H THR 10 H THR 10 -8.329 -0.381 5.638 75 HA THR 10 HA THR 10 -9.216 1.137 7.117 76 HB THR 10 HB THR 10 -6.352 1.503 7.990 77 HG1 THR 10 HG1 THR 10 -6.802 -0.638 7.924 78 HG21 THR 10 HG21 THR 10 -7.491 1.603 10.257 79 HG22 THR 10 HG22 THR 10 -9.037 1.795 9.408 80 HG23 THR 10 HG23 THR 10 -7.771 3.026 9.250 81 H CYS 11 H CYS 11 -9.649 2.315 5.019 82 HA CYS 11 HA CYS 11 -8.173 4.808 4.606 83 HB2 CYS 11 HB2 CYS 11 -9.212 3.138 2.844 84 HB3 CYS 11 HB3 CYS 11 -10.611 4.197 2.983 85 H ASP 12 H ASP 12 -8.711 5.433 6.793 86 HA ASP 12 HA ASP 12 -10.918 7.417 6.723 87 HB2 ASP 12 HB2 ASP 12 -9.137 6.415 8.932 88 HB3 ASP 12 HB3 ASP 12 -9.850 8.016 9.051 89 H SER 13 H SER 13 -9.804 9.617 7.890 90 HA SER 13 HA SER 13 -8.499 10.852 5.670 91 HB2 SER 13 HB2 SER 13 -8.537 12.879 7.123 92 HB3 SER 13 HB3 SER 13 -10.086 12.104 6.809 93 HG SER 13 HG SER 13 -8.592 11.499 9.171 94 H GLU 14 H GLU 14 -6.806 8.829 6.571 95 HA GLU 14 HA GLU 14 -4.289 10.329 6.850 96 HB2 GLU 14 HB2 GLU 14 -5.199 8.184 8.809 97 HB3 GLU 14 HB3 GLU 14 -3.486 8.449 8.531 98 HG2 GLU 14 HG2 GLU 14 -5.389 10.536 9.533 99 HG3 GLU 14 HG3 GLU 14 -4.223 9.626 10.485 100 H ARG 15 H ARG 15 -5.312 9.256 4.471 101 HA ARG 15 HA ARG 15 -3.538 6.870 4.144 102 HB2 ARG 15 HB2 ARG 15 -6.121 6.436 4.616 103 HB3 ARG 15 HB3 ARG 15 -6.290 6.854 2.925 104 HG2 ARG 15 HG2 ARG 15 -5.872 4.618 2.591 105 HG3 ARG 15 HG3 ARG 15 -4.174 5.076 2.736 106 HD2 ARG 15 HD2 ARG 15 -6.011 4.052 4.935 107 HD3 ARG 15 HD3 ARG 15 -4.594 3.219 4.202 108 HE ARG 15 HE ARG 15 -4.019 5.795 5.496 109 HH11 ARG 15 HH11 ARG 15 -4.579 2.426 6.301 110 HH12 ARG 15 HH12 ARG 15 -3.667 2.569 7.776 111 HH21 ARG 15 HH21 ARG 15 -2.873 5.875 7.289 112 HH22 ARG 15 HH22 ARG 15 -2.706 4.429 8.312 113 H LYS 16 H LYS 16 -2.118 7.081 2.768 114 HA LYS 16 HA LYS 16 -2.467 7.781 -0.006 115 HB2 LYS 16 HB2 LYS 16 -0.574 6.239 -0.360 116 HB3 LYS 16 HB3 LYS 16 -0.260 7.486 0.832 117 HG2 LYS 16 HG2 LYS 16 -0.564 5.862 2.675 118 HG3 LYS 16 HG3 LYS 16 -0.941 4.587 1.529 119 HD2 LYS 16 HD2 LYS 16 1.718 6.022 1.821 120 HD3 LYS 16 HD3 LYS 16 1.322 4.363 2.292 121 HE2 LYS 16 HE2 LYS 16 0.720 4.037 -0.241 122 HE3 LYS 16 HE3 LYS 16 1.607 5.549 -0.484 123 HZ1 LYS 16 HZ1 LYS 16 3.135 3.726 -0.747 124 HZ2 LYS 16 HZ2 LYS 16 2.659 3.052 0.682 125 HZ3 LYS 16 HZ3 LYS 16 3.508 4.458 0.662 126 H CYS 17 H CYS 17 -4.803 7.021 -0.023 127 HA CYS 17 HA CYS 17 -5.493 4.248 -0.190 128 HB2 CYS 17 HB2 CYS 17 -7.105 6.147 -0.050 129 HB3 CYS 17 HB3 CYS 17 -6.692 6.593 -1.694 130 H CYS 18 H CYS 18 -4.852 2.713 -1.639 131 HA CYS 18 HA CYS 18 -2.873 3.456 -3.527 132 HB2 CYS 18 HB2 CYS 18 -4.273 0.896 -2.830 133 HB3 CYS 18 HB3 CYS 18 -3.183 0.970 -4.222 134 H GLU 19 H GLU 19 -6.252 3.572 -4.030 135 HA GLU 19 HA GLU 19 -5.882 3.953 -6.950 136 HB2 GLU 19 HB2 GLU 19 -8.120 2.322 -5.721 137 HB3 GLU 19 HB3 GLU 19 -7.854 2.636 -7.440 138 HG2 GLU 19 HG2 GLU 19 -6.172 0.906 -5.587 139 HG3 GLU 19 HG3 GLU 19 -7.280 0.346 -6.831 140 H GLY 20 H GLY 20 -7.962 4.925 -7.895 141 HA2 GLY 20 HA2 GLY 20 -8.577 7.336 -6.387 142 HA3 GLY 20 HA3 GLY 20 -8.981 6.977 -8.062 143 H MET 21 H MET 21 -10.218 4.391 -6.810 144 HA MET 21 HA MET 21 -12.961 4.967 -6.668 145 HB2 MET 21 HB2 MET 21 -13.093 2.640 -5.841 146 HB3 MET 21 HB3 MET 21 -11.965 2.805 -7.167 147 HG2 MET 21 HG2 MET 21 -10.096 2.975 -5.425 148 HG3 MET 21 HG3 MET 21 -11.281 2.558 -4.211 149 HE1 MET 21 HE1 MET 21 -10.043 -0.461 -7.561 150 HE2 MET 21 HE2 MET 21 -11.217 0.836 -7.865 151 HE3 MET 21 HE3 MET 21 -9.515 1.227 -7.572 152 H VAL 22 H VAL 22 -13.872 3.595 -4.333 153 HA VAL 22 HA VAL 22 -14.365 5.729 -2.590 154 HB VAL 22 HB VAL 22 -14.490 2.863 -1.661 155 HG11 VAL 22 HG11 VAL 22 -16.545 3.734 -0.497 156 HG12 VAL 22 HG12 VAL 22 -15.066 4.509 0.049 157 HG13 VAL 22 HG13 VAL 22 -16.156 5.357 -1.082 158 HG21 VAL 22 HG21 VAL 22 -15.563 2.846 -3.855 159 HG22 VAL 22 HG22 VAL 22 -16.782 2.768 -2.586 160 HG23 VAL 22 HG23 VAL 22 -16.494 4.303 -3.430 161 H CYS 23 H CYS 23 -13.523 6.489 -0.695 162 HA CYS 23 HA CYS 23 -11.481 4.863 0.719 163 HB2 CYS 23 HB2 CYS 23 -10.184 6.555 -0.418 164 HB3 CYS 23 HB3 CYS 23 -11.236 7.828 0.208 165 H ARG 24 H ARG 24 -13.300 4.148 1.789 166 HA ARG 24 HA ARG 24 -13.833 5.672 4.232 167 HB2 ARG 24 HB2 ARG 24 -16.137 4.629 2.503 168 HB3 ARG 24 HB3 ARG 24 -16.259 4.914 4.221 169 HG2 ARG 24 HG2 ARG 24 -17.068 6.909 3.618 170 HG3 ARG 24 HG3 ARG 24 -15.356 7.371 3.567 171 HD2 ARG 24 HD2 ARG 24 -15.320 6.835 1.118 172 HD3 ARG 24 HD3 ARG 24 -17.008 6.321 1.198 173 HE ARG 24 HE ARG 24 -15.969 9.102 1.500 174 HH11 ARG 24 HH11 ARG 24 -18.819 7.065 1.868 175 HH12 ARG 24 HH12 ARG 24 -19.869 8.470 1.847 176 HH21 ARG 24 HH21 ARG 24 -17.399 10.696 1.010 177 HH22 ARG 24 HH22 ARG 24 -19.095 10.431 1.334 178 H LEU 25 H LEU 25 -13.118 4.319 5.690 179 HA LEU 25 HA LEU 25 -12.292 2.488 6.722 180 HB2 LEU 25 HB2 LEU 25 -14.467 0.843 5.404 181 HB3 LEU 25 HB3 LEU 25 -13.488 0.419 6.791 182 HG LEU 25 HG LEU 25 -14.625 2.524 7.921 183 HD11 LEU 25 HD11 LEU 25 -15.878 3.426 6.043 184 HD12 LEU 25 HD12 LEU 25 -17.008 2.726 7.168 185 HD13 LEU 25 HD13 LEU 25 -16.585 1.833 5.683 186 HD21 LEU 25 HD21 LEU 25 -16.113 -0.074 7.354 187 HD22 LEU 25 HD22 LEU 25 -16.462 1.055 8.688 188 HD23 LEU 25 HD23 LEU 25 -14.919 0.199 8.644 189 H TRP 26 H TRP 26 -12.798 1.917 3.261 190 HA TRP 26 HA TRP 26 -10.160 0.618 3.018 191 HB2 TRP 26 HB2 TRP 26 -11.629 -1.089 1.504 192 HB3 TRP 26 HB3 TRP 26 -11.159 -1.312 3.171 193 HD1 TRP 26 HD1 TRP 26 -12.936 -1.991 4.789 194 HE1 TRP 26 HE1 TRP 26 -15.489 -1.918 4.934 195 HE3 TRP 26 HE3 TRP 26 -13.888 0.804 0.602 196 HZ2 TRP 26 HZ2 TRP 26 -17.656 -0.674 3.489 197 HZ3 TRP 26 HZ3 TRP 26 -16.211 1.477 0.059 198 HH2 TRP 26 HH2 TRP 26 -18.104 0.732 1.488 199 H CYS 27 H CYS 27 -9.706 0.034 0.697 200 HA CYS 27 HA CYS 27 -10.779 2.042 -1.215 201 HB2 CYS 27 HB2 CYS 27 -8.011 0.837 -1.149 202 HB3 CYS 27 HB3 CYS 27 -8.633 1.927 -2.385 203 H LYS 28 H LYS 28 -12.467 0.814 -1.956 204 HA LYS 28 HA LYS 28 -11.704 -1.389 -3.755 205 HB2 LYS 28 HB2 LYS 28 -13.483 -2.870 -3.160 206 HB3 LYS 28 HB3 LYS 28 -12.409 -2.606 -1.806 207 HG2 LYS 28 HG2 LYS 28 -14.667 -2.802 -1.059 208 HG3 LYS 28 HG3 LYS 28 -14.061 -1.194 -0.701 209 HD2 LYS 28 HD2 LYS 28 -15.447 -0.163 -2.312 210 HD3 LYS 28 HD3 LYS 28 -15.692 -1.657 -3.218 211 HE2 LYS 28 HE2 LYS 28 -16.873 -1.055 -0.474 212 HE3 LYS 28 HE3 LYS 28 -17.705 -0.890 -2.027 213 HZ1 LYS 28 HZ1 LYS 28 -16.947 -3.379 -2.253 214 HZ2 LYS 28 HZ2 LYS 28 -18.338 -2.976 -1.497 215 HZ3 LYS 28 HZ3 LYS 28 -16.986 -3.315 -0.593 216 H LYS 29 H LYS 29 -13.399 -1.917 -5.354 217 HA LYS 29 HA LYS 29 -13.774 0.535 -6.767 218 HB2 LYS 29 HB2 LYS 29 -14.853 -2.218 -7.387 219 HB3 LYS 29 HB3 LYS 29 -14.780 -0.882 -8.527 220 HG2 LYS 29 HG2 LYS 29 -12.425 -0.940 -8.656 221 HG3 LYS 29 HG3 LYS 29 -12.248 -1.954 -7.221 222 HD2 LYS 29 HD2 LYS 29 -13.152 -3.876 -8.310 223 HD3 LYS 29 HD3 LYS 29 -13.664 -2.953 -9.726 224 HE2 LYS 29 HE2 LYS 29 -10.749 -3.005 -8.872 225 HE3 LYS 29 HE3 LYS 29 -11.431 -4.342 -9.817 226 HZ1 LYS 29 HZ1 LYS 29 -11.918 -2.949 -11.578 227 HZ2 LYS 29 HZ2 LYS 29 -10.422 -2.420 -11.128 228 HZ3 LYS 29 HZ3 LYS 29 -11.735 -1.547 -10.727 229 H LYS 30 H LYS 30 -15.373 1.885 -6.872 230 HA LYS 30 HA LYS 30 -18.064 1.039 -7.279 231 HB2 LYS 30 HB2 LYS 30 -17.813 1.246 -4.633 232 HB3 LYS 30 HB3 LYS 30 -17.791 2.965 -4.937 233 HG2 LYS 30 HG2 LYS 30 -20.006 2.331 -4.371 234 HG3 LYS 30 HG3 LYS 30 -19.976 2.834 -6.062 235 HD2 LYS 30 HD2 LYS 30 -21.430 0.894 -5.679 236 HD3 LYS 30 HD3 LYS 30 -20.121 0.487 -6.791 237 HE2 LYS 30 HE2 LYS 30 -18.852 -0.574 -4.941 238 HE3 LYS 30 HE3 LYS 30 -20.123 -0.098 -3.792 239 HZ1 LYS 30 HZ1 LYS 30 -20.426 -1.966 -6.066 240 HZ2 LYS 30 HZ2 LYS 30 -21.665 -1.472 -5.089 241 HZ3 LYS 30 HZ3 LYS 30 -20.435 -2.368 -4.467 242 H LEU 31 H LEU 31 -17.887 2.044 -9.212 243 HA LEU 31 HA LEU 31 -17.932 4.977 -9.300 244 HB2 LEU 31 HB2 LEU 31 -15.505 4.483 -9.208 245 HB3 LEU 31 HB3 LEU 31 -15.672 3.409 -10.596 246 HG LEU 31 HG LEU 31 -16.318 5.368 -12.012 247 HD11 LEU 31 HD11 LEU 31 -15.954 7.651 -11.179 248 HD12 LEU 31 HD12 LEU 31 -15.629 7.021 -9.541 249 HD13 LEU 31 HD13 LEU 31 -17.241 6.870 -10.270 250 HD21 LEU 31 HD21 LEU 31 -13.689 5.735 -10.536 251 HD22 LEU 31 HD22 LEU 31 -14.107 6.315 -12.180 252 HD23 LEU 31 HD23 LEU 31 -13.986 4.588 -11.858 253 H LEU 32 H LEU 32 -18.168 1.884 -11.006 254 HA LEU 32 HA LEU 32 -19.485 3.273 -13.366 255 HB2 LEU 32 HB2 LEU 32 -17.501 0.958 -13.104 256 HB3 LEU 32 HB3 LEU 32 -18.365 1.303 -14.612 257 HG LEU 32 HG LEU 32 -16.702 3.447 -13.194 258 HD11 LEU 32 HD11 LEU 32 -15.246 1.534 -13.690 259 HD12 LEU 32 HD12 LEU 32 -14.889 2.924 -14.723 260 HD13 LEU 32 HD13 LEU 32 -15.804 1.550 -15.381 261 HD21 LEU 32 HD21 LEU 32 -18.305 4.294 -14.912 262 HD22 LEU 32 HD22 LEU 32 -17.633 3.149 -16.093 263 HD23 LEU 32 HD23 LEU 32 -16.634 4.464 -15.452 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 3.822 -6.419 0.920 2 H2 GLY 1 H2 GLY 1 3.891 -6.704 -0.694 3 H3 GLY 1 H3 GLY 1 5.045 -5.770 0.031 4 HA2 GLY 1 HA2 GLY 1 3.402 -4.084 0.567 5 HA3 GLY 1 HA3 GLY 1 3.561 -4.362 -1.172 6 HA PRO 2 HA PRO 2 -0.559 -6.354 0.265 7 HB2 PRO 2 HB2 PRO 2 -1.788 -5.389 2.462 8 HB3 PRO 2 HB3 PRO 2 -0.501 -6.626 2.561 9 HG2 PRO 2 HG2 PRO 2 -0.255 -3.637 3.006 10 HG3 PRO 2 HG3 PRO 2 0.413 -4.968 4.000 11 HD2 PRO 2 HD2 PRO 2 1.862 -3.625 2.076 12 HD3 PRO 2 HD3 PRO 2 2.159 -5.335 2.503 13 H TYR 3 H TYR 3 -1.284 -5.406 -1.577 14 HA TYR 3 HA TYR 3 -1.696 -2.748 -2.048 15 HB2 TYR 3 HB2 TYR 3 -2.805 -5.165 -3.391 16 HB3 TYR 3 HB3 TYR 3 -3.350 -3.570 -3.857 17 HD1 TYR 3 HD1 TYR 3 -2.128 -2.153 -5.261 18 HD2 TYR 3 HD2 TYR 3 -0.261 -5.668 -3.583 19 HE1 TYR 3 HE1 TYR 3 -0.254 -1.933 -6.877 20 HE2 TYR 3 HE2 TYR 3 1.639 -5.398 -5.163 21 HH TYR 3 HH TYR 3 1.498 -3.115 -7.856 22 H CYS 4 H CYS 4 -2.974 -1.161 -1.705 23 HA CYS 4 HA CYS 4 -4.629 -1.075 0.414 24 HB2 CYS 4 HB2 CYS 4 -5.052 0.646 -2.045 25 HB3 CYS 4 HB3 CYS 4 -5.399 1.053 -0.383 26 H GLN 5 H GLN 5 -5.790 -1.614 -2.926 27 HA GLN 5 HA GLN 5 -8.590 -1.445 -2.114 28 HB2 GLN 5 HB2 GLN 5 -9.106 -1.092 -4.283 29 HB3 GLN 5 HB3 GLN 5 -7.535 -0.354 -4.183 30 HG2 GLN 5 HG2 GLN 5 -8.208 -3.024 -5.483 31 HG3 GLN 5 HG3 GLN 5 -7.870 -1.512 -6.286 32 HE21 GLN 5 HE21 GLN 5 -5.939 -1.763 -7.318 33 HE22 GLN 5 HE22 GLN 5 -4.557 -2.688 -6.688 34 H LYS 6 H LYS 6 -6.502 -3.735 -1.722 35 HA LYS 6 HA LYS 6 -8.184 -6.098 -2.392 36 HB2 LYS 6 HB2 LYS 6 -6.588 -5.522 -4.093 37 HB3 LYS 6 HB3 LYS 6 -5.249 -5.545 -2.938 38 HG2 LYS 6 HG2 LYS 6 -5.539 -7.988 -2.691 39 HG3 LYS 6 HG3 LYS 6 -6.895 -7.949 -3.822 40 HD2 LYS 6 HD2 LYS 6 -4.013 -7.136 -4.462 41 HD3 LYS 6 HD3 LYS 6 -4.748 -8.689 -4.835 42 HE2 LYS 6 HE2 LYS 6 -4.888 -7.638 -6.872 43 HE3 LYS 6 HE3 LYS 6 -6.495 -7.371 -6.202 44 HZ1 LYS 6 HZ1 LYS 6 -5.591 -5.080 -5.520 45 HZ2 LYS 6 HZ2 LYS 6 -5.730 -5.331 -7.135 46 HZ3 LYS 6 HZ3 LYS 6 -4.281 -5.386 -6.457 47 H TRP 7 H TRP 7 -6.785 -4.451 0.151 48 HA TRP 7 HA TRP 7 -6.889 -6.859 1.857 49 HB2 TRP 7 HB2 TRP 7 -4.622 -6.834 1.032 50 HB3 TRP 7 HB3 TRP 7 -4.415 -5.169 1.535 51 HD1 TRP 7 HD1 TRP 7 -4.940 -8.644 3.111 52 HE1 TRP 7 HE1 TRP 7 -3.978 -8.656 5.500 53 HE3 TRP 7 HE3 TRP 7 -3.743 -3.691 3.577 54 HZ2 TRP 7 HZ2 TRP 7 -2.465 -6.887 7.177 55 HZ3 TRP 7 HZ3 TRP 7 -2.628 -2.866 5.645 56 HH2 TRP 7 HH2 TRP 7 -1.949 -4.451 7.425 57 H MET 8 H MET 8 -7.979 -3.794 1.577 58 HA MET 8 HA MET 8 -8.845 -2.227 2.943 59 HB2 MET 8 HB2 MET 8 -9.266 -4.576 4.822 60 HB3 MET 8 HB3 MET 8 -10.107 -3.023 4.879 61 HG2 MET 8 HG2 MET 8 -10.934 -3.427 2.555 62 HG3 MET 8 HG3 MET 8 -10.205 -5.030 2.616 63 HE1 MET 8 HE1 MET 8 -10.874 -6.080 5.579 64 HE2 MET 8 HE2 MET 8 -12.408 -6.911 5.255 65 HE3 MET 8 HE3 MET 8 -11.072 -7.038 4.096 66 H GLN 9 H GLN 9 -6.741 -1.220 3.081 67 HA GLN 9 HA GLN 9 -4.902 -1.503 5.138 68 HB2 GLN 9 HB2 GLN 9 -3.899 0.460 4.269 69 HB3 GLN 9 HB3 GLN 9 -4.751 -0.250 2.901 70 HG2 GLN 9 HG2 GLN 9 -6.705 1.372 3.552 71 HG3 GLN 9 HG3 GLN 9 -5.503 2.195 4.547 72 HE21 GLN 9 HE21 GLN 9 -3.289 2.716 3.137 73 HE22 GLN 9 HE22 GLN 9 -3.718 3.338 1.531 74 H THR 10 H THR 10 -7.960 -0.609 6.005 75 HA THR 10 HA THR 10 -9.065 0.919 7.252 76 HB THR 10 HB THR 10 -6.498 1.543 8.700 77 HG1 THR 10 HG1 THR 10 -7.815 -0.667 8.587 78 HG21 THR 10 HG21 THR 10 -9.437 2.024 9.366 79 HG22 THR 10 HG22 THR 10 -8.185 3.260 9.114 80 HG23 THR 10 HG23 THR 10 -8.094 2.186 10.514 81 H CYS 11 H CYS 11 -9.652 2.168 5.570 82 HA CYS 11 HA CYS 11 -7.836 4.300 4.630 83 HB2 CYS 11 HB2 CYS 11 -9.145 2.477 3.217 84 HB3 CYS 11 HB3 CYS 11 -10.389 3.732 3.230 85 H ASP 12 H ASP 12 -8.062 5.513 6.527 86 HA ASP 12 HA ASP 12 -10.450 7.020 7.193 87 HB2 ASP 12 HB2 ASP 12 -7.490 7.412 7.800 88 HB3 ASP 12 HB3 ASP 12 -8.803 8.387 8.467 89 H SER 13 H SER 13 -10.302 9.518 7.182 90 HA SER 13 HA SER 13 -10.428 10.563 4.590 91 HB2 SER 13 HB2 SER 13 -11.492 11.609 6.498 92 HB3 SER 13 HB3 SER 13 -9.922 11.983 7.212 93 HG SER 13 HG SER 13 -9.952 13.720 6.137 94 H GLU 14 H GLU 14 -7.517 10.254 6.545 95 HA GLU 14 HA GLU 14 -5.932 11.966 4.692 96 HB2 GLU 14 HB2 GLU 14 -5.195 10.503 7.242 97 HB3 GLU 14 HB3 GLU 14 -4.125 11.579 6.352 98 HG2 GLU 14 HG2 GLU 14 -5.424 13.509 6.870 99 HG3 GLU 14 HG3 GLU 14 -6.807 12.558 7.412 100 H ARG 15 H ARG 15 -6.817 8.688 4.724 101 HA ARG 15 HA ARG 15 -4.127 7.626 4.173 102 HB2 ARG 15 HB2 ARG 15 -6.833 6.491 4.759 103 HB3 ARG 15 HB3 ARG 15 -5.750 5.474 3.831 104 HG2 ARG 15 HG2 ARG 15 -4.678 6.844 6.331 105 HG3 ARG 15 HG3 ARG 15 -5.699 5.413 6.505 106 HD2 ARG 15 HD2 ARG 15 -4.253 4.085 5.055 107 HD3 ARG 15 HD3 ARG 15 -3.292 5.539 4.626 108 HE ARG 15 HE ARG 15 -2.047 5.188 6.470 109 HH11 ARG 15 HH11 ARG 15 -5.065 3.344 7.067 110 HH12 ARG 15 HH12 ARG 15 -4.196 2.458 8.304 111 HH21 ARG 15 HH21 ARG 15 -1.387 4.282 8.319 112 HH22 ARG 15 HH22 ARG 15 -2.348 2.967 9.021 113 H LYS 16 H LYS 16 -3.230 7.099 2.319 114 HA LYS 16 HA LYS 16 -4.594 7.790 -0.186 115 HB2 LYS 16 HB2 LYS 16 -1.871 6.474 0.098 116 HB3 LYS 16 HB3 LYS 16 -2.491 7.385 -1.268 117 HG2 LYS 16 HG2 LYS 16 -1.670 8.423 1.460 118 HG3 LYS 16 HG3 LYS 16 -0.827 8.680 -0.048 119 HD2 LYS 16 HD2 LYS 16 -3.644 9.796 0.341 120 HD3 LYS 16 HD3 LYS 16 -2.246 10.550 1.058 121 HE2 LYS 16 HE2 LYS 16 -2.496 11.750 -0.876 122 HE3 LYS 16 HE3 LYS 16 -1.174 10.649 -1.257 123 HZ1 LYS 16 HZ1 LYS 16 -2.745 9.307 -2.559 124 HZ2 LYS 16 HZ2 LYS 16 -2.887 10.856 -3.031 125 HZ3 LYS 16 HZ3 LYS 16 -4.013 10.220 -2.031 126 H CYS 17 H CYS 17 -6.161 6.454 -0.781 127 HA CYS 17 HA CYS 17 -5.892 3.538 -0.857 128 HB2 CYS 17 HB2 CYS 17 -8.052 4.622 -0.664 129 HB3 CYS 17 HB3 CYS 17 -7.815 5.488 -2.168 130 H CYS 18 H CYS 18 -4.573 2.555 -2.208 131 HA CYS 18 HA CYS 18 -2.609 3.651 -3.619 132 HB2 CYS 18 HB2 CYS 18 -3.964 0.982 -4.138 133 HB3 CYS 18 HB3 CYS 18 -2.454 1.443 -4.887 134 H GLU 19 H GLU 19 -5.650 2.647 -5.244 135 HA GLU 19 HA GLU 19 -4.687 3.764 -7.819 136 HB2 GLU 19 HB2 GLU 19 -6.949 1.892 -7.117 137 HB3 GLU 19 HB3 GLU 19 -6.689 2.571 -8.741 138 HG2 GLU 19 HG2 GLU 19 -4.361 1.655 -8.724 139 HG3 GLU 19 HG3 GLU 19 -4.716 0.845 -7.198 140 H GLY 20 H GLY 20 -5.777 5.382 -5.410 141 HA2 GLY 20 HA2 GLY 20 -6.644 7.484 -5.257 142 HA3 GLY 20 HA3 GLY 20 -6.951 7.487 -6.998 143 H MET 21 H MET 21 -8.474 4.830 -5.960 144 HA MET 21 HA MET 21 -11.103 5.963 -6.230 145 HB2 MET 21 HB2 MET 21 -11.819 3.588 -6.217 146 HB3 MET 21 HB3 MET 21 -10.517 3.944 -7.348 147 HG2 MET 21 HG2 MET 21 -8.859 3.056 -5.688 148 HG3 MET 21 HG3 MET 21 -10.198 2.672 -4.608 149 HE1 MET 21 HE1 MET 21 -9.548 0.518 -8.674 150 HE2 MET 21 HE2 MET 21 -10.608 1.936 -8.594 151 HE3 MET 21 HE3 MET 21 -8.875 2.110 -8.277 152 H VAL 22 H VAL 22 -12.877 4.793 -4.853 153 HA VAL 22 HA VAL 22 -13.168 6.387 -2.662 154 HB VAL 22 HB VAL 22 -14.719 3.853 -3.089 155 HG11 VAL 22 HG11 VAL 22 -15.355 6.473 -1.654 156 HG12 VAL 22 HG12 VAL 22 -16.511 5.154 -1.938 157 HG13 VAL 22 HG13 VAL 22 -15.135 4.908 -0.857 158 HG21 VAL 22 HG21 VAL 22 -16.295 5.358 -4.284 159 HG22 VAL 22 HG22 VAL 22 -15.149 6.696 -4.117 160 HG23 VAL 22 HG23 VAL 22 -14.726 5.296 -5.111 161 H CYS 23 H CYS 23 -12.767 6.482 -0.649 162 HA CYS 23 HA CYS 23 -11.357 4.293 0.803 163 HB2 CYS 23 HB2 CYS 23 -9.853 5.849 -0.325 164 HB3 CYS 23 HB3 CYS 23 -10.695 7.219 0.369 165 H ARG 24 H ARG 24 -13.105 3.826 2.186 166 HA ARG 24 HA ARG 24 -13.451 5.694 4.442 167 HB2 ARG 24 HB2 ARG 24 -15.843 4.741 2.834 168 HB3 ARG 24 HB3 ARG 24 -15.941 5.210 4.520 169 HG2 ARG 24 HG2 ARG 24 -16.501 7.242 3.745 170 HG3 ARG 24 HG3 ARG 24 -14.755 7.464 3.663 171 HD2 ARG 24 HD2 ARG 24 -15.712 8.153 1.553 172 HD3 ARG 24 HD3 ARG 24 -14.889 6.623 1.229 173 HE ARG 24 HE ARG 24 -17.366 5.753 1.921 174 HH11 ARG 24 HH11 ARG 24 -16.573 8.365 -0.385 175 HH12 ARG 24 HH12 ARG 24 -18.025 7.993 -1.293 176 HH21 ARG 24 HH21 ARG 24 -19.097 5.397 0.633 177 HH22 ARG 24 HH22 ARG 24 -19.369 6.453 -0.736 178 H LEU 25 H LEU 25 -12.327 4.358 5.604 179 HA LEU 25 HA LEU 25 -11.734 2.682 6.980 180 HB2 LEU 25 HB2 LEU 25 -14.416 1.344 6.636 181 HB3 LEU 25 HB3 LEU 25 -13.272 1.165 7.950 182 HG LEU 25 HG LEU 25 -14.893 3.674 7.329 183 HD11 LEU 25 HD11 LEU 25 -16.132 3.127 9.325 184 HD12 LEU 25 HD12 LEU 25 -15.135 1.697 9.619 185 HD13 LEU 25 HD13 LEU 25 -16.207 1.766 8.200 186 HD21 LEU 25 HD21 LEU 25 -13.037 3.092 9.682 187 HD22 LEU 25 HD22 LEU 25 -14.098 4.508 9.512 188 HD23 LEU 25 HD23 LEU 25 -12.746 4.287 8.402 189 H TRP 26 H TRP 26 -13.509 1.320 4.169 190 HA TRP 26 HA TRP 26 -11.181 -0.446 3.613 191 HB2 TRP 26 HB2 TRP 26 -12.726 -1.277 1.731 192 HB3 TRP 26 HB3 TRP 26 -13.054 -1.741 3.380 193 HD1 TRP 26 HD1 TRP 26 -15.289 -1.009 4.457 194 HE1 TRP 26 HE1 TRP 26 -17.328 0.315 3.755 195 HE3 TRP 26 HE3 TRP 26 -13.439 1.028 0.151 196 HZ2 TRP 26 HZ2 TRP 26 -18.055 2.140 1.602 197 HZ3 TRP 26 HZ3 TRP 26 -14.785 2.614 -1.153 198 HH2 TRP 26 HH2 TRP 26 -17.105 3.199 -0.436 199 H CYS 27 H CYS 27 -10.526 -0.603 1.354 200 HA CYS 27 HA CYS 27 -10.954 1.733 -0.390 201 HB2 CYS 27 HB2 CYS 27 -8.788 2.222 0.409 202 HB3 CYS 27 HB3 CYS 27 -8.324 0.542 0.456 203 H LYS 28 H LYS 28 -11.649 0.957 -2.392 204 HA LYS 28 HA LYS 28 -11.825 -2.015 -2.661 205 HB2 LYS 28 HB2 LYS 28 -13.572 -0.898 -1.049 206 HB3 LYS 28 HB3 LYS 28 -14.390 -0.411 -2.509 207 HG2 LYS 28 HG2 LYS 28 -15.399 -2.465 -2.141 208 HG3 LYS 28 HG3 LYS 28 -14.047 -3.029 -3.127 209 HD2 LYS 28 HD2 LYS 28 -12.757 -3.485 -1.003 210 HD3 LYS 28 HD3 LYS 28 -14.148 -2.920 -0.071 211 HE2 LYS 28 HE2 LYS 28 -15.540 -4.711 -1.218 212 HE3 LYS 28 HE3 LYS 28 -14.037 -5.319 -1.931 213 HZ1 LYS 28 HZ1 LYS 28 -14.681 -5.176 0.959 214 HZ2 LYS 28 HZ2 LYS 28 -13.196 -5.568 0.377 215 HZ3 LYS 28 HZ3 LYS 28 -14.456 -6.548 0.030 216 H LYS 29 H LYS 29 -14.247 -0.166 -4.290 217 HA LYS 29 HA LYS 29 -12.795 0.792 -6.498 218 HB2 LYS 29 HB2 LYS 29 -13.497 -2.032 -6.812 219 HB3 LYS 29 HB3 LYS 29 -14.419 -1.063 -7.962 220 HG2 LYS 29 HG2 LYS 29 -12.260 0.073 -8.642 221 HG3 LYS 29 HG3 LYS 29 -11.406 -1.072 -7.601 222 HD2 LYS 29 HD2 LYS 29 -11.212 -1.927 -9.758 223 HD3 LYS 29 HD3 LYS 29 -12.421 -2.949 -8.975 224 HE2 LYS 29 HE2 LYS 29 -14.219 -1.741 -10.157 225 HE3 LYS 29 HE3 LYS 29 -13.038 -0.579 -10.807 226 HZ1 LYS 29 HZ1 LYS 29 -13.044 -3.486 -11.379 227 HZ2 LYS 29 HZ2 LYS 29 -11.968 -2.396 -11.980 228 HZ3 LYS 29 HZ3 LYS 29 -13.539 -2.339 -12.433 229 H LYS 30 H LYS 30 -14.084 2.129 -7.772 230 HA LYS 30 HA LYS 30 -16.969 1.881 -7.881 231 HB2 LYS 30 HB2 LYS 30 -16.261 3.148 -5.606 232 HB3 LYS 30 HB3 LYS 30 -16.107 4.519 -6.691 233 HG2 LYS 30 HG2 LYS 30 -18.277 4.551 -5.697 234 HG3 LYS 30 HG3 LYS 30 -18.496 4.169 -7.399 235 HD2 LYS 30 HD2 LYS 30 -19.315 2.073 -6.980 236 HD3 LYS 30 HD3 LYS 30 -18.196 1.761 -5.660 237 HE2 LYS 30 HE2 LYS 30 -20.694 3.480 -5.438 238 HE3 LYS 30 HE3 LYS 30 -20.555 1.793 -4.935 239 HZ1 LYS 30 HZ1 LYS 30 -19.141 4.115 -3.751 240 HZ2 LYS 30 HZ2 LYS 30 -18.738 2.532 -3.416 241 HZ3 LYS 30 HZ3 LYS 30 -20.214 3.136 -3.030 242 H LEU 31 H LEU 31 -15.162 1.705 -9.838 243 HA LEU 31 HA LEU 31 -15.666 3.931 -11.648 244 HB2 LEU 31 HB2 LEU 31 -13.728 4.643 -10.235 245 HB3 LEU 31 HB3 LEU 31 -12.812 3.253 -10.779 246 HG LEU 31 HG LEU 31 -13.955 5.021 -12.917 247 HD11 LEU 31 HD11 LEU 31 -13.250 6.701 -11.304 248 HD12 LEU 31 HD12 LEU 31 -12.124 6.667 -12.664 249 HD13 LEU 31 HD13 LEU 31 -11.670 5.910 -11.117 250 HD21 LEU 31 HD21 LEU 31 -11.829 4.608 -14.004 251 HD22 LEU 31 HD22 LEU 31 -12.391 3.057 -13.368 252 HD23 LEU 31 HD23 LEU 31 -11.129 3.942 -12.510 253 H LEU 32 H LEU 32 -15.043 3.316 -13.922 254 HA LEU 32 HA LEU 32 -15.026 0.303 -14.226 255 HB2 LEU 32 HB2 LEU 32 -16.184 2.576 -15.961 256 HB3 LEU 32 HB3 LEU 32 -15.977 0.904 -16.486 257 HG LEU 32 HG LEU 32 -17.356 0.245 -14.351 258 HD11 LEU 32 HD11 LEU 32 -18.190 3.165 -14.679 259 HD12 LEU 32 HD12 LEU 32 -17.537 2.398 -13.208 260 HD13 LEU 32 HD13 LEU 32 -19.129 1.937 -13.799 261 HD21 LEU 32 HD21 LEU 32 -19.446 0.478 -15.650 262 HD22 LEU 32 HD22 LEU 32 -18.112 -0.027 -16.694 263 HD23 LEU 32 HD23 LEU 32 -18.662 1.662 -16.719 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 5.987 -7.657 -5.488 2 H2 GLY 1 H2 GLY 1 5.292 -7.623 -4.004 3 H3 GLY 1 H3 GLY 1 4.659 -8.604 -5.151 4 HA2 GLY 1 HA2 GLY 1 4.794 -5.683 -5.459 5 HA3 GLY 1 HA3 GLY 1 3.828 -6.818 -6.422 6 HA PRO 2 HA PRO 2 1.974 -6.347 -1.995 7 HB2 PRO 2 HB2 PRO 2 2.256 -3.955 -0.725 8 HB3 PRO 2 HB3 PRO 2 3.564 -5.174 -0.772 9 HG2 PRO 2 HG2 PRO 2 3.197 -2.778 -2.612 10 HG3 PRO 2 HG3 PRO 2 4.657 -3.237 -1.672 11 HD2 PRO 2 HD2 PRO 2 4.365 -3.948 -4.284 12 HD3 PRO 2 HD3 PRO 2 5.114 -5.062 -3.098 13 H TYR 3 H TYR 3 0.134 -5.070 -0.966 14 HA TYR 3 HA TYR 3 -1.384 -3.495 -2.906 15 HB2 TYR 3 HB2 TYR 3 -3.456 -4.916 -2.251 16 HB3 TYR 3 HB3 TYR 3 -2.385 -5.312 -3.578 17 HD1 TYR 3 HD1 TYR 3 -2.377 -7.625 -3.848 18 HD2 TYR 3 HD2 TYR 3 -2.068 -6.002 0.142 19 HE1 TYR 3 HE1 TYR 3 -2.039 -9.908 -2.947 20 HE2 TYR 3 HE2 TYR 3 -1.701 -8.292 1.033 21 HH TYR 3 HH TYR 3 -1.732 -11.198 -1.076 22 H CYS 4 H CYS 4 -2.914 -2.098 -2.337 23 HA CYS 4 HA CYS 4 -3.281 -1.669 0.599 24 HB2 CYS 4 HB2 CYS 4 -3.921 0.413 -1.440 25 HB3 CYS 4 HB3 CYS 4 -3.608 0.585 0.279 26 H GLN 5 H GLN 5 -5.269 -1.067 -2.392 27 HA GLN 5 HA GLN 5 -7.723 -1.234 -0.953 28 HB2 GLN 5 HB2 GLN 5 -8.498 -0.440 -2.835 29 HB3 GLN 5 HB3 GLN 5 -6.945 -0.577 -3.581 30 HG2 GLN 5 HG2 GLN 5 -9.113 -2.731 -3.610 31 HG3 GLN 5 HG3 GLN 5 -8.855 -1.547 -4.862 32 HE21 GLN 5 HE21 GLN 5 -5.681 -2.017 -4.438 33 HE22 GLN 5 HE22 GLN 5 -5.495 -3.503 -5.350 34 H LYS 6 H LYS 6 -5.948 -3.793 -2.705 35 HA LYS 6 HA LYS 6 -7.848 -5.839 -2.142 36 HB2 LYS 6 HB2 LYS 6 -5.404 -5.580 -3.622 37 HB3 LYS 6 HB3 LYS 6 -5.209 -6.972 -2.540 38 HG2 LYS 6 HG2 LYS 6 -7.256 -7.972 -3.350 39 HG3 LYS 6 HG3 LYS 6 -7.691 -6.498 -4.222 40 HD2 LYS 6 HD2 LYS 6 -5.928 -6.802 -5.837 41 HD3 LYS 6 HD3 LYS 6 -5.248 -8.155 -4.927 42 HE2 LYS 6 HE2 LYS 6 -6.604 -8.905 -6.881 43 HE3 LYS 6 HE3 LYS 6 -7.175 -9.533 -5.333 44 HZ1 LYS 6 HZ1 LYS 6 -9.031 -8.776 -6.629 45 HZ2 LYS 6 HZ2 LYS 6 -8.362 -7.286 -6.854 46 HZ3 LYS 6 HZ3 LYS 6 -8.887 -7.772 -5.348 47 H TRP 7 H TRP 7 -6.023 -4.318 0.147 48 HA TRP 7 HA TRP 7 -6.614 -6.566 2.008 49 HB2 TRP 7 HB2 TRP 7 -4.077 -6.007 1.391 50 HB3 TRP 7 HB3 TRP 7 -4.294 -4.745 2.597 51 HD1 TRP 7 HD1 TRP 7 -4.347 -5.610 5.135 52 HE1 TRP 7 HE1 TRP 7 -4.375 -7.923 6.292 53 HE3 TRP 7 HE3 TRP 7 -4.893 -8.560 1.010 54 HZ2 TRP 7 HZ2 TRP 7 -4.601 -10.677 5.499 55 HZ3 TRP 7 HZ3 TRP 7 -5.168 -11.004 1.241 56 HH2 TRP 7 HH2 TRP 7 -4.988 -12.089 3.472 57 H MET 8 H MET 8 -8.033 -4.001 1.088 58 HA MET 8 HA MET 8 -9.274 -2.325 1.985 59 HB2 MET 8 HB2 MET 8 -9.584 -4.569 3.992 60 HB3 MET 8 HB3 MET 8 -10.549 -3.098 4.073 61 HG2 MET 8 HG2 MET 8 -11.179 -3.444 1.645 62 HG3 MET 8 HG3 MET 8 -10.425 -5.035 1.734 63 HE1 MET 8 HE1 MET 8 -12.693 -6.962 4.234 64 HE2 MET 8 HE2 MET 8 -11.456 -7.114 2.967 65 HE3 MET 8 HE3 MET 8 -11.112 -6.204 4.455 66 H GLN 9 H GLN 9 -7.175 -1.276 2.090 67 HA GLN 9 HA GLN 9 -5.576 -0.863 4.253 68 HB2 GLN 9 HB2 GLN 9 -4.656 1.066 2.923 69 HB3 GLN 9 HB3 GLN 9 -4.796 -0.452 2.100 70 HG2 GLN 9 HG2 GLN 9 -5.458 1.593 0.746 71 HG3 GLN 9 HG3 GLN 9 -6.629 0.280 0.755 72 HE21 GLN 9 HE21 GLN 9 -6.031 3.632 1.843 73 HE22 GLN 9 HE22 GLN 9 -7.694 3.861 2.358 74 H THR 10 H THR 10 -8.174 -0.253 5.461 75 HA THR 10 HA THR 10 -8.897 1.154 7.157 76 HB THR 10 HB THR 10 -5.914 1.574 7.524 77 HG1 THR 10 HG1 THR 10 -5.983 -0.393 8.592 78 HG21 THR 10 HG21 THR 10 -8.208 1.232 9.508 79 HG22 THR 10 HG22 THR 10 -7.345 2.749 9.184 80 HG23 THR 10 HG23 THR 10 -6.489 1.393 9.926 81 H CYS 11 H CYS 11 -9.710 2.580 5.351 82 HA CYS 11 HA CYS 11 -8.083 4.798 4.533 83 HB2 CYS 11 HB2 CYS 11 -9.800 3.422 3.162 84 HB3 CYS 11 HB3 CYS 11 -10.983 4.593 3.750 85 H ASP 12 H ASP 12 -8.031 5.324 6.966 86 HA ASP 12 HA ASP 12 -9.711 7.605 7.696 87 HB2 ASP 12 HB2 ASP 12 -7.066 6.491 8.694 88 HB3 ASP 12 HB3 ASP 12 -7.790 7.988 9.288 89 H SER 13 H SER 13 -8.822 9.819 7.852 90 HA SER 13 HA SER 13 -8.270 10.718 5.259 91 HB2 SER 13 HB2 SER 13 -9.309 12.078 7.008 92 HB3 SER 13 HB3 SER 13 -7.757 12.215 7.838 93 HG SER 13 HG SER 13 -8.469 13.967 6.366 94 H GLU 14 H GLU 14 -5.783 10.176 7.812 95 HA GLU 14 HA GLU 14 -3.659 11.257 6.179 96 HB2 GLU 14 HB2 GLU 14 -2.137 10.358 7.796 97 HB3 GLU 14 HB3 GLU 14 -3.474 11.170 8.598 98 HG2 GLU 14 HG2 GLU 14 -4.496 9.033 9.203 99 HG3 GLU 14 HG3 GLU 14 -3.297 8.144 8.265 100 H ARG 15 H ARG 15 -5.267 8.235 5.774 101 HA ARG 15 HA ARG 15 -2.827 6.808 4.909 102 HB2 ARG 15 HB2 ARG 15 -5.203 6.024 6.184 103 HB3 ARG 15 HB3 ARG 15 -5.387 5.359 4.576 104 HG2 ARG 15 HG2 ARG 15 -2.866 4.956 6.274 105 HG3 ARG 15 HG3 ARG 15 -4.274 3.895 6.384 106 HD2 ARG 15 HD2 ARG 15 -4.111 3.278 4.026 107 HD3 ARG 15 HD3 ARG 15 -2.800 4.467 3.775 108 HE ARG 15 HE ARG 15 -1.265 3.068 4.732 109 HH11 ARG 15 HH11 ARG 15 -4.449 1.735 5.513 110 HH12 ARG 15 HH12 ARG 15 -3.700 0.312 6.249 111 HH21 ARG 15 HH21 ARG 15 -0.514 1.160 5.672 112 HH22 ARG 15 HH22 ARG 15 -1.673 -0.012 6.269 113 H LYS 16 H LYS 16 -2.258 6.342 2.898 114 HA LYS 16 HA LYS 16 -3.326 7.450 0.503 115 HB2 LYS 16 HB2 LYS 16 -1.701 4.915 1.010 116 HB3 LYS 16 HB3 LYS 16 -2.035 5.532 -0.598 117 HG2 LYS 16 HG2 LYS 16 -0.480 7.076 1.521 118 HG3 LYS 16 HG3 LYS 16 0.220 6.055 0.264 119 HD2 LYS 16 HD2 LYS 16 -1.129 7.552 -1.413 120 HD3 LYS 16 HD3 LYS 16 -1.219 8.705 -0.073 121 HE2 LYS 16 HE2 LYS 16 1.336 7.472 -1.224 122 HE3 LYS 16 HE3 LYS 16 0.713 9.072 -1.649 123 HZ1 LYS 16 HZ1 LYS 16 1.064 9.788 0.620 124 HZ2 LYS 16 HZ2 LYS 16 2.446 9.173 0.041 125 HZ3 LYS 16 HZ3 LYS 16 1.550 8.303 1.104 126 H CYS 17 H CYS 17 -4.626 6.647 -1.135 127 HA CYS 17 HA CYS 17 -6.168 4.117 -0.633 128 HB2 CYS 17 HB2 CYS 17 -7.565 6.115 -0.306 129 HB3 CYS 17 HB3 CYS 17 -7.123 6.687 -1.909 130 H CYS 18 H CYS 18 -4.377 3.093 -1.729 131 HA CYS 18 HA CYS 18 -3.300 4.007 -4.120 132 HB2 CYS 18 HB2 CYS 18 -2.986 1.167 -3.268 133 HB3 CYS 18 HB3 CYS 18 -1.813 2.233 -3.978 134 H GLU 19 H GLU 19 -6.151 3.484 -4.567 135 HA GLU 19 HA GLU 19 -5.731 2.497 -7.288 136 HB2 GLU 19 HB2 GLU 19 -7.965 1.502 -5.498 137 HB3 GLU 19 HB3 GLU 19 -8.185 1.602 -7.235 138 HG2 GLU 19 HG2 GLU 19 -5.992 -0.063 -6.010 139 HG3 GLU 19 HG3 GLU 19 -7.618 -0.640 -6.361 140 H GLY 20 H GLY 20 -6.948 4.938 -5.187 141 HA2 GLY 20 HA2 GLY 20 -8.067 6.890 -5.592 142 HA3 GLY 20 HA3 GLY 20 -7.816 6.615 -7.316 143 H MET 21 H MET 21 -9.831 5.329 -4.634 144 HA MET 21 HA MET 21 -12.147 4.977 -6.505 145 HB2 MET 21 HB2 MET 21 -10.967 2.962 -4.549 146 HB3 MET 21 HB3 MET 21 -12.452 2.712 -5.475 147 HG2 MET 21 HG2 MET 21 -9.750 3.205 -6.750 148 HG3 MET 21 HG3 MET 21 -10.417 1.618 -6.437 149 HE1 MET 21 HE1 MET 21 -9.479 3.043 -9.449 150 HE2 MET 21 HE2 MET 21 -9.670 1.332 -8.994 151 HE3 MET 21 HE3 MET 21 -10.586 2.006 -10.359 152 H VAL 22 H VAL 22 -13.864 3.749 -4.657 153 HA VAL 22 HA VAL 22 -14.866 5.619 -2.778 154 HB VAL 22 HB VAL 22 -14.777 2.603 -2.392 155 HG11 VAL 22 HG11 VAL 22 -15.644 3.801 -0.437 156 HG12 VAL 22 HG12 VAL 22 -16.792 4.693 -1.471 157 HG13 VAL 22 HG13 VAL 22 -16.951 2.945 -1.245 158 HG21 VAL 22 HG21 VAL 22 -16.940 2.450 -3.552 159 HG22 VAL 22 HG22 VAL 22 -16.811 4.155 -4.016 160 HG23 VAL 22 HG23 VAL 22 -15.653 2.959 -4.644 161 H CYS 23 H CYS 23 -14.276 6.132 -0.675 162 HA CYS 23 HA CYS 23 -12.172 4.576 0.736 163 HB2 CYS 23 HB2 CYS 23 -10.983 6.420 -0.252 164 HB3 CYS 23 HB3 CYS 23 -12.229 7.554 0.259 165 H ARG 24 H ARG 24 -13.785 3.651 1.993 166 HA ARG 24 HA ARG 24 -14.900 5.326 4.159 167 HB2 ARG 24 HB2 ARG 24 -16.661 3.769 2.216 168 HB3 ARG 24 HB3 ARG 24 -17.092 3.919 3.908 169 HG2 ARG 24 HG2 ARG 24 -18.208 5.756 3.244 170 HG3 ARG 24 HG3 ARG 24 -16.634 6.519 3.510 171 HD2 ARG 24 HD2 ARG 24 -16.193 5.942 0.981 172 HD3 ARG 24 HD3 ARG 24 -17.931 5.634 0.892 173 HE ARG 24 HE ARG 24 -17.545 8.058 2.300 174 HH11 ARG 24 HH11 ARG 24 -17.292 7.051 -1.070 175 HH12 ARG 24 HH12 ARG 24 -17.250 8.698 -1.577 176 HH21 ARG 24 HH21 ARG 24 -17.561 9.976 1.562 177 HH22 ARG 24 HH22 ARG 24 -17.394 10.371 -0.145 178 H LEU 25 H LEU 25 -13.895 4.429 5.774 179 HA LEU 25 HA LEU 25 -12.513 3.099 6.936 180 HB2 LEU 25 HB2 LEU 25 -14.818 1.215 6.419 181 HB3 LEU 25 HB3 LEU 25 -13.405 0.646 7.290 182 HG LEU 25 HG LEU 25 -14.861 3.166 8.158 183 HD11 LEU 25 HD11 LEU 25 -16.515 1.391 8.168 184 HD12 LEU 25 HD12 LEU 25 -16.029 1.749 9.826 185 HD13 LEU 25 HD13 LEU 25 -15.398 0.295 9.017 186 HD21 LEU 25 HD21 LEU 25 -13.854 2.594 10.351 187 HD22 LEU 25 HD22 LEU 25 -12.603 2.807 9.126 188 HD23 LEU 25 HD23 LEU 25 -13.076 1.170 9.636 189 H TRP 26 H TRP 26 -13.091 1.945 3.722 190 HA TRP 26 HA TRP 26 -10.306 1.107 3.406 191 HB2 TRP 26 HB2 TRP 26 -11.332 -1.024 2.232 192 HB3 TRP 26 HB3 TRP 26 -11.002 -0.950 3.948 193 HD1 TRP 26 HD1 TRP 26 -12.870 -1.450 5.569 194 HE1 TRP 26 HE1 TRP 26 -15.436 -1.598 5.514 195 HE3 TRP 26 HE3 TRP 26 -13.706 0.072 0.763 196 HZ2 TRP 26 HZ2 TRP 26 -17.550 -1.250 3.623 197 HZ3 TRP 26 HZ3 TRP 26 -16.020 0.299 -0.087 198 HH2 TRP 26 HH2 TRP 26 -17.951 -0.380 1.319 199 H CYS 27 H CYS 27 -9.875 0.536 1.093 200 HA CYS 27 HA CYS 27 -11.674 1.868 -0.844 201 HB2 CYS 27 HB2 CYS 27 -8.660 1.527 -1.013 202 HB3 CYS 27 HB3 CYS 27 -9.699 2.175 -2.288 203 H LYS 28 H LYS 28 -12.291 0.888 -2.618 204 HA LYS 28 HA LYS 28 -11.505 -1.934 -3.149 205 HB2 LYS 28 HB2 LYS 28 -14.344 -0.953 -2.743 206 HB3 LYS 28 HB3 LYS 28 -13.941 -2.487 -3.507 207 HG2 LYS 28 HG2 LYS 28 -12.746 -3.248 -1.485 208 HG3 LYS 28 HG3 LYS 28 -13.053 -1.699 -0.699 209 HD2 LYS 28 HD2 LYS 28 -15.472 -2.080 -0.817 210 HD3 LYS 28 HD3 LYS 28 -15.222 -3.648 -1.571 211 HE2 LYS 28 HE2 LYS 28 -14.282 -4.612 0.348 212 HE3 LYS 28 HE3 LYS 28 -13.811 -3.046 1.034 213 HZ1 LYS 28 HZ1 LYS 28 -16.641 -3.806 0.675 214 HZ2 LYS 28 HZ2 LYS 28 -16.061 -2.550 1.520 215 HZ3 LYS 28 HZ3 LYS 28 -15.856 -4.072 2.093 216 H LYS 29 H LYS 29 -14.135 -1.086 -5.128 217 HA LYS 29 HA LYS 29 -12.524 0.544 -6.951 218 HB2 LYS 29 HB2 LYS 29 -12.555 -2.250 -7.345 219 HB3 LYS 29 HB3 LYS 29 -13.701 -1.638 -8.532 220 HG2 LYS 29 HG2 LYS 29 -11.967 -0.002 -9.313 221 HG3 LYS 29 HG3 LYS 29 -10.865 -0.610 -8.073 222 HD2 LYS 29 HD2 LYS 29 -10.091 -1.659 -9.953 223 HD3 LYS 29 HD3 LYS 29 -11.115 -2.914 -9.251 224 HE2 LYS 29 HE2 LYS 29 -12.882 -2.457 -10.858 225 HE3 LYS 29 HE3 LYS 29 -12.083 -0.960 -11.373 226 HZ1 LYS 29 HZ1 LYS 29 -11.067 -3.709 -11.902 227 HZ2 LYS 29 HZ2 LYS 29 -10.238 -2.307 -12.184 228 HZ3 LYS 29 HZ3 LYS 29 -11.612 -2.593 -12.988 229 H LYS 30 H LYS 30 -13.618 1.919 -8.161 230 HA LYS 30 HA LYS 30 -16.305 1.507 -9.079 231 HB2 LYS 30 HB2 LYS 30 -16.797 2.227 -6.763 232 HB3 LYS 30 HB3 LYS 30 -15.995 3.761 -7.072 233 HG2 LYS 30 HG2 LYS 30 -17.835 4.620 -8.068 234 HG3 LYS 30 HG3 LYS 30 -18.049 3.233 -9.102 235 HD2 LYS 30 HD2 LYS 30 -20.029 3.447 -7.907 236 HD3 LYS 30 HD3 LYS 30 -19.201 1.988 -7.347 237 HE2 LYS 30 HE2 LYS 30 -18.455 3.129 -5.325 238 HE3 LYS 30 HE3 LYS 30 -19.131 4.662 -5.893 239 HZ1 LYS 30 HZ1 LYS 30 -20.785 2.237 -5.385 240 HZ2 LYS 30 HZ2 LYS 30 -21.340 3.723 -5.750 241 HZ3 LYS 30 HZ3 LYS 30 -20.572 3.514 -4.334 242 H LEU 31 H LEU 31 -13.320 3.153 -9.449 243 HA LEU 31 HA LEU 31 -14.329 4.608 -11.823 244 HB2 LEU 31 HB2 LEU 31 -12.513 5.648 -10.691 245 HB3 LEU 31 HB3 LEU 31 -11.589 4.160 -10.629 246 HG LEU 31 HG LEU 31 -11.191 4.200 -13.032 247 HD11 LEU 31 HD11 LEU 31 -12.796 6.796 -13.012 248 HD12 LEU 31 HD12 LEU 31 -13.206 5.293 -13.870 249 HD13 LEU 31 HD13 LEU 31 -11.791 6.219 -14.357 250 HD21 LEU 31 HD21 LEU 31 -9.763 6.206 -13.069 251 HD22 LEU 31 HD22 LEU 31 -9.648 5.368 -11.514 252 HD23 LEU 31 HD23 LEU 31 -10.611 6.857 -11.651 253 H LEU 32 H LEU 32 -15.303 3.131 -13.073 254 HA LEU 32 HA LEU 32 -14.056 1.170 -14.666 255 HB2 LEU 32 HB2 LEU 32 -14.788 -0.939 -13.674 256 HB3 LEU 32 HB3 LEU 32 -13.734 -0.111 -12.578 257 HG LEU 32 HG LEU 32 -16.169 0.870 -11.685 258 HD11 LEU 32 HD11 LEU 32 -17.764 -1.023 -11.606 259 HD12 LEU 32 HD12 LEU 32 -16.681 -2.014 -12.593 260 HD13 LEU 32 HD13 LEU 32 -17.466 -0.583 -13.278 261 HD21 LEU 32 HD21 LEU 32 -15.974 -0.754 -9.880 262 HD22 LEU 32 HD22 LEU 32 -14.369 -0.167 -10.343 263 HD23 LEU 32 HD23 LEU 32 -14.921 -1.780 -10.869 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 3.825 1.723 -2.042 2 H2 GLY 1 H2 GLY 1 4.177 0.581 -3.168 3 H3 GLY 1 H3 GLY 1 2.759 1.411 -3.255 4 HA2 GLY 1 HA2 GLY 1 3.514 -0.415 -1.070 5 HA3 GLY 1 HA3 GLY 1 1.965 0.423 -1.234 6 HA PRO 2 HA PRO 2 2.409 -3.314 -4.369 7 HB2 PRO 2 HB2 PRO 2 2.877 -5.650 -3.010 8 HB3 PRO 2 HB3 PRO 2 4.190 -4.586 -3.590 9 HG2 PRO 2 HG2 PRO 2 2.958 -4.627 -0.820 10 HG3 PRO 2 HG3 PRO 2 4.691 -4.729 -1.245 11 HD2 PRO 2 HD2 PRO 2 3.548 -2.403 -0.537 12 HD3 PRO 2 HD3 PRO 2 4.729 -2.446 -1.886 13 H TYR 3 H TYR 3 0.931 -3.252 -1.184 14 HA TYR 3 HA TYR 3 -1.567 -4.343 -2.275 15 HB2 TYR 3 HB2 TYR 3 -1.869 -5.693 -0.133 16 HB3 TYR 3 HB3 TYR 3 -0.832 -6.306 -1.410 17 HD1 TYR 3 HD1 TYR 3 1.338 -7.047 -0.911 18 HD2 TYR 3 HD2 TYR 3 -0.646 -4.349 1.819 19 HE1 TYR 3 HE1 TYR 3 3.260 -7.188 0.651 20 HE2 TYR 3 HE2 TYR 3 1.322 -4.423 3.324 21 HH TYR 3 HH TYR 3 3.618 -4.967 3.382 22 H CYS 4 H CYS 4 -3.447 -3.554 -1.557 23 HA CYS 4 HA CYS 4 -3.620 -2.271 0.986 24 HB2 CYS 4 HB2 CYS 4 -4.386 0.011 -0.184 25 HB3 CYS 4 HB3 CYS 4 -2.772 -0.319 0.385 26 H GLN 5 H GLN 5 -5.337 -1.898 -2.155 27 HA GLN 5 HA GLN 5 -7.953 -1.916 -1.043 28 HB2 GLN 5 HB2 GLN 5 -7.622 -0.937 -3.138 29 HB3 GLN 5 HB3 GLN 5 -6.740 -2.303 -3.796 30 HG2 GLN 5 HG2 GLN 5 -9.657 -2.603 -3.055 31 HG3 GLN 5 HG3 GLN 5 -9.183 -1.773 -4.529 32 HE21 GLN 5 HE21 GLN 5 -7.517 -3.159 -5.959 33 HE22 GLN 5 HE22 GLN 5 -7.816 -4.901 -5.959 34 H LYS 6 H LYS 6 -6.154 -4.506 -2.623 35 HA LYS 6 HA LYS 6 -8.100 -6.511 -2.470 36 HB2 LYS 6 HB2 LYS 6 -5.671 -6.132 -3.681 37 HB3 LYS 6 HB3 LYS 6 -5.198 -7.307 -2.457 38 HG2 LYS 6 HG2 LYS 6 -6.874 -8.897 -3.335 39 HG3 LYS 6 HG3 LYS 6 -7.530 -7.644 -4.393 40 HD2 LYS 6 HD2 LYS 6 -5.326 -7.494 -5.578 41 HD3 LYS 6 HD3 LYS 6 -4.705 -8.787 -4.547 42 HE2 LYS 6 HE2 LYS 6 -5.331 -9.638 -6.738 43 HE3 LYS 6 HE3 LYS 6 -6.324 -10.368 -5.475 44 HZ1 LYS 6 HZ1 LYS 6 -7.222 -8.088 -7.162 45 HZ2 LYS 6 HZ2 LYS 6 -8.134 -8.921 -6.081 46 HZ3 LYS 6 HZ3 LYS 6 -7.617 -9.679 -7.425 47 H TRP 7 H TRP 7 -6.445 -5.246 0.142 48 HA TRP 7 HA TRP 7 -7.105 -7.471 1.971 49 HB2 TRP 7 HB2 TRP 7 -4.664 -7.513 0.835 50 HB3 TRP 7 HB3 TRP 7 -4.281 -6.365 2.050 51 HD1 TRP 7 HD1 TRP 7 -3.998 -9.796 1.312 52 HE1 TRP 7 HE1 TRP 7 -3.786 -11.371 3.327 53 HE3 TRP 7 HE3 TRP 7 -5.961 -6.776 5.012 54 HZ2 TRP 7 HZ2 TRP 7 -4.315 -11.324 6.115 55 HZ3 TRP 7 HZ3 TRP 7 -6.190 -7.630 7.289 56 HH2 TRP 7 HH2 TRP 7 -5.356 -9.890 7.878 57 H MET 8 H MET 8 -8.456 -5.161 1.758 58 HA MET 8 HA MET 8 -9.221 -3.331 2.971 59 HB2 MET 8 HB2 MET 8 -8.896 -5.643 4.912 60 HB3 MET 8 HB3 MET 8 -9.937 -4.238 5.186 61 HG2 MET 8 HG2 MET 8 -11.106 -4.738 3.018 62 HG3 MET 8 HG3 MET 8 -10.216 -6.260 2.953 63 HE1 MET 8 HE1 MET 8 -13.783 -7.459 3.854 64 HE2 MET 8 HE2 MET 8 -13.560 -5.913 2.998 65 HE3 MET 8 HE3 MET 8 -12.522 -7.311 2.617 66 H GLN 9 H GLN 9 -6.727 -2.404 2.738 67 HA GLN 9 HA GLN 9 -5.099 -2.101 4.883 68 HB2 GLN 9 HB2 GLN 9 -4.196 -0.143 3.727 69 HB3 GLN 9 HB3 GLN 9 -4.537 -1.457 2.642 70 HG2 GLN 9 HG2 GLN 9 -6.186 -0.301 1.497 71 HG3 GLN 9 HG3 GLN 9 -6.791 0.471 2.926 72 HE21 GLN 9 HE21 GLN 9 -6.848 2.611 2.212 73 HE22 GLN 9 HE22 GLN 9 -5.481 3.437 1.497 74 H THR 10 H THR 10 -8.165 -0.809 5.321 75 HA THR 10 HA THR 10 -9.119 0.938 6.400 76 HB THR 10 HB THR 10 -6.511 1.492 7.785 77 HG1 THR 10 HG1 THR 10 -7.123 -0.418 8.501 78 HG21 THR 10 HG21 THR 10 -9.380 2.372 8.321 79 HG22 THR 10 HG22 THR 10 -7.985 3.418 7.973 80 HG23 THR 10 HG23 THR 10 -8.039 2.509 9.477 81 H CYS 11 H CYS 11 -9.586 3.201 6.076 82 HA CYS 11 HA CYS 11 -7.858 4.737 4.317 83 HB2 CYS 11 HB2 CYS 11 -9.214 2.870 2.991 84 HB3 CYS 11 HB3 CYS 11 -10.502 4.065 3.068 85 H ASP 12 H ASP 12 -8.286 6.884 4.517 86 HA ASP 12 HA ASP 12 -10.627 7.848 6.056 87 HB2 ASP 12 HB2 ASP 12 -7.764 8.214 7.013 88 HB3 ASP 12 HB3 ASP 12 -9.246 8.615 7.865 89 H SER 13 H SER 13 -10.432 10.351 6.146 90 HA SER 13 HA SER 13 -9.778 11.578 3.738 91 HB2 SER 13 HB2 SER 13 -11.199 12.577 5.390 92 HB3 SER 13 HB3 SER 13 -9.856 12.775 6.518 93 HG SER 13 HG SER 13 -10.673 14.534 4.923 94 H GLU 14 H GLU 14 -7.597 11.235 6.528 95 HA GLU 14 HA GLU 14 -5.347 12.700 5.526 96 HB2 GLU 14 HB2 GLU 14 -5.580 12.200 7.845 97 HB3 GLU 14 HB3 GLU 14 -5.777 10.477 7.545 98 HG2 GLU 14 HG2 GLU 14 -3.406 10.287 6.887 99 HG3 GLU 14 HG3 GLU 14 -3.201 12.024 7.115 100 H ARG 15 H ARG 15 -6.444 9.446 4.720 101 HA ARG 15 HA ARG 15 -3.612 8.611 4.331 102 HB2 ARG 15 HB2 ARG 15 -4.745 7.725 6.268 103 HB3 ARG 15 HB3 ARG 15 -6.054 7.076 5.293 104 HG2 ARG 15 HG2 ARG 15 -3.306 6.180 4.482 105 HG3 ARG 15 HG3 ARG 15 -3.791 5.683 6.092 106 HD2 ARG 15 HD2 ARG 15 -5.787 4.604 5.252 107 HD3 ARG 15 HD3 ARG 15 -5.548 5.327 3.620 108 HE ARG 15 HE ARG 15 -3.962 3.730 3.143 109 HH11 ARG 15 HH11 ARG 15 -4.450 3.658 6.656 110 HH12 ARG 15 HH12 ARG 15 -3.599 2.146 6.784 111 HH21 ARG 15 HH21 ARG 15 -2.971 1.794 3.455 112 HH22 ARG 15 HH22 ARG 15 -2.546 1.310 5.105 113 H LYS 16 H LYS 16 -2.885 7.515 2.688 114 HA LYS 16 HA LYS 16 -3.888 8.042 0.173 115 HB2 LYS 16 HB2 LYS 16 -2.158 6.645 -0.716 116 HB3 LYS 16 HB3 LYS 16 -1.551 7.467 0.715 117 HG2 LYS 16 HG2 LYS 16 -2.063 5.279 2.008 118 HG3 LYS 16 HG3 LYS 16 -2.322 4.535 0.428 119 HD2 LYS 16 HD2 LYS 16 0.005 5.239 -0.235 120 HD3 LYS 16 HD3 LYS 16 0.237 5.840 1.422 121 HE2 LYS 16 HE2 LYS 16 -0.301 3.540 2.282 122 HE3 LYS 16 HE3 LYS 16 -0.417 2.965 0.612 123 HZ1 LYS 16 HZ1 LYS 16 2.010 4.058 1.932 124 HZ2 LYS 16 HZ2 LYS 16 1.958 3.653 0.342 125 HZ3 LYS 16 HZ3 LYS 16 1.781 2.494 1.459 126 H CYS 17 H CYS 17 -5.389 7.303 -1.118 127 HA CYS 17 HA CYS 17 -6.740 4.726 -0.566 128 HB2 CYS 17 HB2 CYS 17 -7.942 6.933 -1.126 129 HB3 CYS 17 HB3 CYS 17 -7.399 6.677 -2.771 130 H CYS 18 H CYS 18 -5.855 3.010 -1.402 131 HA CYS 18 HA CYS 18 -3.742 2.485 -2.926 132 HB2 CYS 18 HB2 CYS 18 -5.541 0.980 -1.775 133 HB3 CYS 18 HB3 CYS 18 -6.322 0.944 -3.351 134 H GLU 19 H GLU 19 -6.950 3.041 -4.421 135 HA GLU 19 HA GLU 19 -5.675 3.355 -7.106 136 HB2 GLU 19 HB2 GLU 19 -8.343 2.038 -6.532 137 HB3 GLU 19 HB3 GLU 19 -7.553 2.221 -8.109 138 HG2 GLU 19 HG2 GLU 19 -5.793 0.654 -7.430 139 HG3 GLU 19 HG3 GLU 19 -6.493 0.517 -5.817 140 H GLY 20 H GLY 20 -6.476 5.404 -5.043 141 HA2 GLY 20 HA2 GLY 20 -7.400 7.499 -5.028 142 HA3 GLY 20 HA3 GLY 20 -7.566 7.335 -6.779 143 H MET 21 H MET 21 -9.361 5.071 -4.984 144 HA MET 21 HA MET 21 -11.885 5.956 -6.029 145 HB2 MET 21 HB2 MET 21 -11.256 3.726 -4.060 146 HB3 MET 21 HB3 MET 21 -12.710 3.853 -5.047 147 HG2 MET 21 HG2 MET 21 -9.928 3.567 -6.221 148 HG3 MET 21 HG3 MET 21 -10.966 2.228 -5.824 149 HE1 MET 21 HE1 MET 21 -10.298 1.470 -8.087 150 HE2 MET 21 HE2 MET 21 -10.884 2.107 -9.629 151 HE3 MET 21 HE3 MET 21 -9.601 2.959 -8.759 152 H VAL 22 H VAL 22 -13.831 5.405 -4.312 153 HA VAL 22 HA VAL 22 -14.116 7.118 -2.036 154 HB VAL 22 HB VAL 22 -15.225 4.404 -2.838 155 HG11 VAL 22 HG11 VAL 22 -15.908 5.896 -0.274 156 HG12 VAL 22 HG12 VAL 22 -16.874 4.581 -0.983 157 HG13 VAL 22 HG13 VAL 22 -15.240 4.252 -0.408 158 HG21 VAL 22 HG21 VAL 22 -16.567 7.113 -2.420 159 HG22 VAL 22 HG22 VAL 22 -16.014 6.492 -3.985 160 HG23 VAL 22 HG23 VAL 22 -17.303 5.649 -3.111 161 H CYS 23 H CYS 23 -13.336 7.005 -0.031 162 HA CYS 23 HA CYS 23 -11.473 4.828 0.789 163 HB2 CYS 23 HB2 CYS 23 -10.358 6.725 -0.338 164 HB3 CYS 23 HB3 CYS 23 -11.078 7.833 0.798 165 H ARG 24 H ARG 24 -13.245 4.102 2.085 166 HA ARG 24 HA ARG 24 -13.377 5.299 4.781 167 HB2 ARG 24 HB2 ARG 24 -15.840 4.966 2.998 168 HB3 ARG 24 HB3 ARG 24 -15.927 4.893 4.751 169 HG2 ARG 24 HG2 ARG 24 -16.355 7.112 4.610 170 HG3 ARG 24 HG3 ARG 24 -14.603 7.206 4.583 171 HD2 ARG 24 HD2 ARG 24 -15.212 8.553 2.793 172 HD3 ARG 24 HD3 ARG 24 -14.812 7.035 1.983 173 HE ARG 24 HE ARG 24 -17.587 7.053 2.735 174 HH11 ARG 24 HH11 ARG 24 -15.447 8.719 0.492 175 HH12 ARG 24 HH12 ARG 24 -16.782 9.144 -0.569 176 HH21 ARG 24 HH21 ARG 24 -19.190 7.536 1.301 177 HH22 ARG 24 HH22 ARG 24 -18.846 8.456 -0.137 178 H LEU 25 H LEU 25 -12.827 3.686 6.046 179 HA LEU 25 HA LEU 25 -12.267 1.675 6.847 180 HB2 LEU 25 HB2 LEU 25 -14.554 0.423 5.317 181 HB3 LEU 25 HB3 LEU 25 -13.648 -0.283 6.642 182 HG LEU 25 HG LEU 25 -15.521 2.119 6.844 183 HD11 LEU 25 HD11 LEU 25 -15.722 -0.759 7.813 184 HD12 LEU 25 HD12 LEU 25 -16.656 -0.031 6.471 185 HD13 LEU 25 HD13 LEU 25 -16.907 0.517 8.139 186 HD21 LEU 25 HD21 LEU 25 -13.719 2.275 8.549 187 HD22 LEU 25 HD22 LEU 25 -14.020 0.596 9.031 188 HD23 LEU 25 HD23 LEU 25 -15.257 1.845 9.300 189 H TRP 26 H TRP 26 -12.809 1.637 3.336 190 HA TRP 26 HA TRP 26 -10.065 0.640 3.028 191 HB2 TRP 26 HB2 TRP 26 -11.526 -0.800 1.064 192 HB3 TRP 26 HB3 TRP 26 -10.538 -1.418 2.359 193 HD1 TRP 26 HD1 TRP 26 -11.753 -2.731 4.258 194 HE1 TRP 26 HE1 TRP 26 -14.175 -3.297 4.856 195 HE3 TRP 26 HE3 TRP 26 -14.103 0.427 1.002 196 HZ2 TRP 26 HZ2 TRP 26 -16.792 -2.215 4.262 197 HZ3 TRP 26 HZ3 TRP 26 -16.549 0.748 1.140 198 HH2 TRP 26 HH2 TRP 26 -17.908 -0.534 2.790 199 H CYS 27 H CYS 27 -9.278 0.880 0.889 200 HA CYS 27 HA CYS 27 -10.743 2.714 -0.947 201 HB2 CYS 27 HB2 CYS 27 -8.208 2.997 -0.441 202 HB3 CYS 27 HB3 CYS 27 -7.993 1.488 -1.326 203 H LYS 28 H LYS 28 -12.024 1.579 -2.428 204 HA LYS 28 HA LYS 28 -11.313 -1.276 -2.961 205 HB2 LYS 28 HB2 LYS 28 -13.427 -0.511 -1.363 206 HB3 LYS 28 HB3 LYS 28 -14.226 -0.740 -2.896 207 HG2 LYS 28 HG2 LYS 28 -14.276 -2.863 -1.821 208 HG3 LYS 28 HG3 LYS 28 -12.983 -3.021 -3.015 209 HD2 LYS 28 HD2 LYS 28 -11.330 -2.418 -1.136 210 HD3 LYS 28 HD3 LYS 28 -12.690 -2.506 -0.019 211 HE2 LYS 28 HE2 LYS 28 -11.655 -4.775 -1.769 212 HE3 LYS 28 HE3 LYS 28 -11.274 -4.542 -0.066 213 HZ1 LYS 28 HZ1 LYS 28 -13.738 -4.689 0.359 214 HZ2 LYS 28 HZ2 LYS 28 -13.110 -6.094 -0.242 215 HZ3 LYS 28 HZ3 LYS 28 -13.977 -5.107 -1.182 216 H LYS 29 H LYS 29 -14.063 -0.721 -4.759 217 HA LYS 29 HA LYS 29 -12.605 0.812 -6.837 218 HB2 LYS 29 HB2 LYS 29 -12.526 -1.735 -7.274 219 HB3 LYS 29 HB3 LYS 29 -14.234 -1.602 -7.669 220 HG2 LYS 29 HG2 LYS 29 -13.722 0.100 -9.391 221 HG3 LYS 29 HG3 LYS 29 -12.024 0.092 -8.938 222 HD2 LYS 29 HD2 LYS 29 -13.492 -2.337 -10.020 223 HD3 LYS 29 HD3 LYS 29 -12.585 -1.210 -11.024 224 HE2 LYS 29 HE2 LYS 29 -11.417 -2.913 -8.772 225 HE3 LYS 29 HE3 LYS 29 -11.324 -3.253 -10.504 226 HZ1 LYS 29 HZ1 LYS 29 -10.239 -0.905 -10.585 227 HZ2 LYS 29 HZ2 LYS 29 -9.340 -2.210 -10.131 228 HZ3 LYS 29 HZ3 LYS 29 -9.868 -1.161 -9.013 229 H LYS 30 H LYS 30 -13.693 2.398 -7.555 230 HA LYS 30 HA LYS 30 -16.691 2.408 -7.665 231 HB2 LYS 30 HB2 LYS 30 -15.069 4.155 -6.213 232 HB3 LYS 30 HB3 LYS 30 -15.316 5.034 -7.716 233 HG2 LYS 30 HG2 LYS 30 -17.510 3.891 -5.937 234 HG3 LYS 30 HG3 LYS 30 -16.958 5.565 -5.921 235 HD2 LYS 30 HD2 LYS 30 -17.686 5.882 -8.244 236 HD3 LYS 30 HD3 LYS 30 -18.264 4.218 -8.320 237 HE2 LYS 30 HE2 LYS 30 -19.325 6.312 -6.388 238 HE3 LYS 30 HE3 LYS 30 -20.056 5.885 -7.935 239 HZ1 LYS 30 HZ1 LYS 30 -20.151 3.546 -7.028 240 HZ2 LYS 30 HZ2 LYS 30 -21.176 4.616 -6.336 241 HZ3 LYS 30 HZ3 LYS 30 -19.814 4.161 -5.537 242 H LEU 31 H LEU 31 -13.677 3.108 -9.398 243 HA LEU 31 HA LEU 31 -14.897 4.013 -11.850 244 HB2 LEU 31 HB2 LEU 31 -12.143 3.138 -10.966 245 HB3 LEU 31 HB3 LEU 31 -12.455 3.371 -12.658 246 HG LEU 31 HG LEU 31 -11.368 5.279 -11.487 247 HD11 LEU 31 HD11 LEU 31 -12.401 5.503 -13.682 248 HD12 LEU 31 HD12 LEU 31 -12.613 6.980 -12.737 249 HD13 LEU 31 HD13 LEU 31 -13.974 5.858 -12.933 250 HD21 LEU 31 HD21 LEU 31 -12.711 5.407 -9.424 251 HD22 LEU 31 HD22 LEU 31 -14.140 5.888 -10.385 252 HD23 LEU 31 HD23 LEU 31 -12.708 6.924 -10.324 253 H LEU 32 H LEU 32 -16.359 1.877 -11.200 254 HA LEU 32 HA LEU 32 -15.686 -0.445 -12.973 255 HB2 LEU 32 HB2 LEU 32 -17.880 0.318 -10.964 256 HB3 LEU 32 HB3 LEU 32 -18.067 -1.071 -12.039 257 HG LEU 32 HG LEU 32 -15.557 -0.821 -10.343 258 HD11 LEU 32 HD11 LEU 32 -17.437 -0.577 -8.776 259 HD12 LEU 32 HD12 LEU 32 -16.663 -2.156 -8.590 260 HD13 LEU 32 HD13 LEU 32 -18.211 -2.023 -9.457 261 HD21 LEU 32 HD21 LEU 32 -15.603 -2.572 -12.118 262 HD22 LEU 32 HD22 LEU 32 -17.125 -3.204 -11.459 263 HD23 LEU 32 HD23 LEU 32 -15.636 -3.310 -10.511 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 1.998 -0.953 1.642 2 H2 GLY 1 H2 GLY 1 1.998 -2.519 2.120 3 H3 GLY 1 H3 GLY 1 3.193 -1.511 2.646 4 HA2 GLY 1 HA2 GLY 1 4.104 -1.304 0.482 5 HA3 GLY 1 HA3 GLY 1 3.981 -3.012 0.936 6 HA PRO 2 HA PRO 2 2.170 -2.748 -3.174 7 HB2 PRO 2 HB2 PRO 2 2.389 -5.352 -3.970 8 HB3 PRO 2 HB3 PRO 2 3.798 -4.267 -3.781 9 HG2 PRO 2 HG2 PRO 2 2.702 -6.250 -1.757 10 HG3 PRO 2 HG3 PRO 2 4.382 -6.103 -2.342 11 HD2 PRO 2 HD2 PRO 2 3.593 -4.925 -0.027 12 HD3 PRO 2 HD3 PRO 2 4.719 -4.087 -1.142 13 H TYR 3 H TYR 3 0.543 -3.871 -0.529 14 HA TYR 3 HA TYR 3 -1.899 -4.319 -2.114 15 HB2 TYR 3 HB2 TYR 3 -2.699 -6.006 -0.481 16 HB3 TYR 3 HB3 TYR 3 -1.390 -6.498 -1.534 17 HD1 TYR 3 HD1 TYR 3 0.872 -6.972 -0.680 18 HD2 TYR 3 HD2 TYR 3 -2.291 -5.683 1.932 19 HE1 TYR 3 HE1 TYR 3 2.244 -7.629 1.302 20 HE2 TYR 3 HE2 TYR 3 -0.961 -6.399 3.897 21 HH TYR 3 HH TYR 3 2.219 -7.927 3.653 22 H CYS 4 H CYS 4 -3.633 -3.216 -1.688 23 HA CYS 4 HA CYS 4 -4.055 -2.091 0.982 24 HB2 CYS 4 HB2 CYS 4 -4.281 0.238 -0.371 25 HB3 CYS 4 HB3 CYS 4 -2.898 -0.258 0.554 26 H GLN 5 H GLN 5 -5.320 -1.679 -2.396 27 HA GLN 5 HA GLN 5 -8.076 -1.372 -1.495 28 HB2 GLN 5 HB2 GLN 5 -7.442 -0.457 -3.607 29 HB3 GLN 5 HB3 GLN 5 -6.807 -1.986 -4.199 30 HG2 GLN 5 HG2 GLN 5 -9.755 -1.676 -3.516 31 HG3 GLN 5 HG3 GLN 5 -9.116 -1.088 -5.038 32 HE21 GLN 5 HE21 GLN 5 -7.900 -2.751 -6.418 33 HE22 GLN 5 HE22 GLN 5 -8.410 -4.440 -6.265 34 H LYS 6 H LYS 6 -6.119 -4.010 -2.749 35 HA LYS 6 HA LYS 6 -8.082 -6.092 -2.601 36 HB2 LYS 6 HB2 LYS 6 -6.025 -5.675 -4.082 37 HB3 LYS 6 HB3 LYS 6 -5.046 -6.310 -2.762 38 HG2 LYS 6 HG2 LYS 6 -5.897 -8.491 -3.061 39 HG3 LYS 6 HG3 LYS 6 -7.339 -7.928 -3.913 40 HD2 LYS 6 HD2 LYS 6 -5.928 -7.131 -5.803 41 HD3 LYS 6 HD3 LYS 6 -4.483 -7.749 -4.999 42 HE2 LYS 6 HE2 LYS 6 -6.873 -9.505 -5.689 43 HE3 LYS 6 HE3 LYS 6 -5.595 -9.160 -6.864 44 HZ1 LYS 6 HZ1 LYS 6 -3.994 -10.161 -5.372 45 HZ2 LYS 6 HZ2 LYS 6 -5.214 -11.210 -5.681 46 HZ3 LYS 6 HZ3 LYS 6 -5.190 -10.469 -4.240 47 H TRP 7 H TRP 7 -6.838 -4.561 0.003 48 HA TRP 7 HA TRP 7 -7.072 -6.899 1.799 49 HB2 TRP 7 HB2 TRP 7 -4.682 -6.632 0.796 50 HB3 TRP 7 HB3 TRP 7 -4.552 -5.225 1.836 51 HD1 TRP 7 HD1 TRP 7 -3.827 -5.762 4.309 52 HE1 TRP 7 HE1 TRP 7 -3.332 -7.918 5.655 53 HE3 TRP 7 HE3 TRP 7 -5.996 -9.152 1.185 54 HZ2 TRP 7 HZ2 TRP 7 -3.752 -10.736 5.346 55 HZ3 TRP 7 HZ3 TRP 7 -5.980 -11.597 1.765 56 HH2 TRP 7 HH2 TRP 7 -4.800 -12.376 3.795 57 H MET 8 H MET 8 -8.450 -4.223 1.360 58 HA MET 8 HA MET 8 -9.408 -2.568 2.591 59 HB2 MET 8 HB2 MET 8 -9.221 -4.764 4.677 60 HB3 MET 8 HB3 MET 8 -10.224 -3.322 4.851 61 HG2 MET 8 HG2 MET 8 -11.640 -3.938 3.031 62 HG3 MET 8 HG3 MET 8 -10.522 -5.187 2.489 63 HE1 MET 8 HE1 MET 8 -13.023 -5.675 6.387 64 HE2 MET 8 HE2 MET 8 -11.830 -4.380 6.180 65 HE3 MET 8 HE3 MET 8 -13.359 -4.357 5.256 66 H GLN 9 H GLN 9 -7.262 -1.422 2.362 67 HA GLN 9 HA GLN 9 -5.415 -1.131 4.379 68 HB2 GLN 9 HB2 GLN 9 -4.613 0.763 3.093 69 HB3 GLN 9 HB3 GLN 9 -5.066 -0.570 2.071 70 HG2 GLN 9 HG2 GLN 9 -7.139 0.492 1.369 71 HG3 GLN 9 HG3 GLN 9 -6.962 1.765 2.577 72 HE21 GLN 9 HE21 GLN 9 -4.250 2.477 2.226 73 HE22 GLN 9 HE22 GLN 9 -4.118 3.232 0.648 74 H THR 10 H THR 10 -7.875 -0.620 5.913 75 HA THR 10 HA THR 10 -8.863 0.900 7.346 76 HB THR 10 HB THR 10 -6.008 1.688 8.010 77 HG1 THR 10 HG1 THR 10 -6.009 -0.106 9.323 78 HG21 THR 10 HG21 THR 10 -7.731 2.782 9.356 79 HG22 THR 10 HG22 THR 10 -7.018 1.502 10.338 80 HG23 THR 10 HG23 THR 10 -8.592 1.245 9.571 81 H CYS 11 H CYS 11 -9.541 2.107 5.324 82 HA CYS 11 HA CYS 11 -7.910 4.346 4.515 83 HB2 CYS 11 HB2 CYS 11 -9.343 2.700 3.132 84 HB3 CYS 11 HB3 CYS 11 -10.648 3.867 3.379 85 H ASP 12 H ASP 12 -7.879 5.498 6.441 86 HA ASP 12 HA ASP 12 -10.121 7.133 7.312 87 HB2 ASP 12 HB2 ASP 12 -7.137 7.158 7.916 88 HB3 ASP 12 HB3 ASP 12 -8.291 8.273 8.648 89 H SER 13 H SER 13 -9.957 9.556 7.367 90 HA SER 13 HA SER 13 -10.302 10.663 4.904 91 HB2 SER 13 HB2 SER 13 -11.079 11.892 6.672 92 HB3 SER 13 HB3 SER 13 -9.565 11.794 7.570 93 HG SER 13 HG SER 13 -8.965 13.586 6.758 94 H GLU 14 H GLU 14 -7.120 10.716 6.538 95 HA GLU 14 HA GLU 14 -5.889 12.016 4.182 96 HB2 GLU 14 HB2 GLU 14 -4.680 11.373 6.904 97 HB3 GLU 14 HB3 GLU 14 -4.000 12.384 5.637 98 HG2 GLU 14 HG2 GLU 14 -4.876 13.910 7.175 99 HG3 GLU 14 HG3 GLU 14 -6.011 13.910 5.831 100 H ARG 15 H ARG 15 -6.623 8.917 4.497 101 HA ARG 15 HA ARG 15 -3.944 7.758 4.522 102 HB2 ARG 15 HB2 ARG 15 -6.128 6.850 5.578 103 HB3 ARG 15 HB3 ARG 15 -6.473 6.174 3.985 104 HG2 ARG 15 HG2 ARG 15 -3.786 5.787 5.397 105 HG3 ARG 15 HG3 ARG 15 -5.167 4.767 5.804 106 HD2 ARG 15 HD2 ARG 15 -5.195 3.673 3.790 107 HD3 ARG 15 HD3 ARG 15 -4.534 5.049 2.870 108 HE ARG 15 HE ARG 15 -2.369 4.402 3.375 109 HH11 ARG 15 HH11 ARG 15 -4.484 2.536 5.532 110 HH12 ARG 15 HH12 ARG 15 -3.073 1.967 6.420 111 HH21 ARG 15 HH21 ARG 15 -0.697 3.251 4.440 112 HH22 ARG 15 HH22 ARG 15 -1.155 2.293 5.820 113 H LYS 16 H LYS 16 -2.676 7.465 2.803 114 HA LYS 16 HA LYS 16 -3.317 8.058 0.144 115 HB2 LYS 16 HB2 LYS 16 -1.255 6.894 -0.503 116 HB3 LYS 16 HB3 LYS 16 -1.070 8.118 0.731 117 HG2 LYS 16 HG2 LYS 16 -0.526 6.606 2.412 118 HG3 LYS 16 HG3 LYS 16 -1.311 5.235 1.644 119 HD2 LYS 16 HD2 LYS 16 1.148 6.579 0.466 120 HD3 LYS 16 HD3 LYS 16 1.244 5.244 1.626 121 HE2 LYS 16 HE2 LYS 16 0.066 3.742 0.146 122 HE3 LYS 16 HE3 LYS 16 -0.321 5.047 -0.982 123 HZ1 LYS 16 HZ1 LYS 16 2.463 4.174 -0.400 124 HZ2 LYS 16 HZ2 LYS 16 2.022 5.274 -1.485 125 HZ3 LYS 16 HZ3 LYS 16 1.578 3.734 -1.757 126 H CYS 17 H CYS 17 -5.055 7.224 -0.802 127 HA CYS 17 HA CYS 17 -5.804 4.485 -0.706 128 HB2 CYS 17 HB2 CYS 17 -7.413 6.207 -1.217 129 HB3 CYS 17 HB3 CYS 17 -6.525 6.656 -2.678 130 H CYS 18 H CYS 18 -5.439 2.774 -1.939 131 HA CYS 18 HA CYS 18 -3.076 2.310 -3.313 132 HB2 CYS 18 HB2 CYS 18 -5.132 0.867 -2.266 133 HB3 CYS 18 HB3 CYS 18 -5.537 0.713 -3.955 134 H GLU 19 H GLU 19 -6.124 3.390 -4.673 135 HA GLU 19 HA GLU 19 -5.092 3.200 -7.489 136 HB2 GLU 19 HB2 GLU 19 -7.800 2.408 -6.366 137 HB3 GLU 19 HB3 GLU 19 -7.410 2.489 -8.092 138 HG2 GLU 19 HG2 GLU 19 -5.708 0.709 -7.766 139 HG3 GLU 19 HG3 GLU 19 -6.149 0.601 -6.062 140 H GLY 20 H GLY 20 -6.832 5.141 -5.156 141 HA2 GLY 20 HA2 GLY 20 -7.792 7.287 -5.402 142 HA3 GLY 20 HA3 GLY 20 -7.599 7.181 -7.158 143 H MET 21 H MET 21 -9.456 5.880 -4.417 144 HA MET 21 HA MET 21 -11.874 5.436 -6.059 145 HB2 MET 21 HB2 MET 21 -10.534 3.300 -4.347 146 HB3 MET 21 HB3 MET 21 -12.138 3.186 -5.053 147 HG2 MET 21 HG2 MET 21 -9.642 3.515 -6.701 148 HG3 MET 21 HG3 MET 21 -10.312 1.951 -6.258 149 HE1 MET 21 HE1 MET 21 -9.652 3.827 -8.997 150 HE2 MET 21 HE2 MET 21 -9.769 2.058 -9.063 151 HE3 MET 21 HE3 MET 21 -10.747 3.057 -10.156 152 H VAL 22 H VAL 22 -13.659 4.554 -4.418 153 HA VAL 22 HA VAL 22 -14.164 6.549 -2.420 154 HB VAL 22 HB VAL 22 -15.357 3.786 -2.923 155 HG11 VAL 22 HG11 VAL 22 -16.329 5.978 -1.051 156 HG12 VAL 22 HG12 VAL 22 -17.285 4.562 -1.540 157 HG13 VAL 22 HG13 VAL 22 -15.825 4.330 -0.582 158 HG21 VAL 22 HG21 VAL 22 -16.399 6.596 -3.511 159 HG22 VAL 22 HG22 VAL 22 -15.722 5.485 -4.714 160 HG23 VAL 22 HG23 VAL 22 -17.227 5.068 -3.879 161 H CYS 23 H CYS 23 -13.382 6.734 -0.432 162 HA CYS 23 HA CYS 23 -11.807 4.535 0.817 163 HB2 CYS 23 HB2 CYS 23 -10.500 6.297 -0.205 164 HB3 CYS 23 HB3 CYS 23 -11.411 7.523 0.659 165 H ARG 24 H ARG 24 -13.316 3.728 2.248 166 HA ARG 24 HA ARG 24 -13.884 5.248 4.715 167 HB2 ARG 24 HB2 ARG 24 -16.185 4.030 3.101 168 HB3 ARG 24 HB3 ARG 24 -16.262 4.562 4.763 169 HG2 ARG 24 HG2 ARG 24 -17.205 6.372 3.780 170 HG3 ARG 24 HG3 ARG 24 -15.518 6.926 3.791 171 HD2 ARG 24 HD2 ARG 24 -15.289 6.096 1.420 172 HD3 ARG 24 HD3 ARG 24 -16.927 5.444 1.513 173 HE ARG 24 HE ARG 24 -16.237 8.364 1.802 174 HH11 ARG 24 HH11 ARG 24 -18.380 5.863 0.488 175 HH12 ARG 24 HH12 ARG 24 -19.462 7.050 -0.177 176 HH21 ARG 24 HH21 ARG 24 -17.802 9.751 1.131 177 HH22 ARG 24 HH22 ARG 24 -19.260 9.171 0.368 178 H LEU 25 H LEU 25 -13.042 3.859 6.145 179 HA LEU 25 HA LEU 25 -12.045 2.073 7.071 180 HB2 LEU 25 HB2 LEU 25 -14.449 0.516 6.038 181 HB3 LEU 25 HB3 LEU 25 -13.158 -0.153 7.015 182 HG LEU 25 HG LEU 25 -13.685 1.644 8.772 183 HD11 LEU 25 HD11 LEU 25 -16.057 2.384 8.812 184 HD12 LEU 25 HD12 LEU 25 -16.266 1.767 7.147 185 HD13 LEU 25 HD13 LEU 25 -15.169 3.125 7.489 186 HD21 LEU 25 HD21 LEU 25 -15.738 -0.520 8.130 187 HD22 LEU 25 HD22 LEU 25 -15.477 0.247 9.715 188 HD23 LEU 25 HD23 LEU 25 -14.209 -0.754 9.010 189 H TRP 26 H TRP 26 -12.930 1.453 3.716 190 HA TRP 26 HA TRP 26 -10.199 0.456 3.165 191 HB2 TRP 26 HB2 TRP 26 -11.520 -1.136 1.517 192 HB3 TRP 26 HB3 TRP 26 -11.170 -1.542 3.175 193 HD1 TRP 26 HD1 TRP 26 -12.982 -2.215 4.723 194 HE1 TRP 26 HE1 TRP 26 -15.533 -2.292 4.748 195 HE3 TRP 26 HE3 TRP 26 -13.892 0.668 0.590 196 HZ2 TRP 26 HZ2 TRP 26 -17.696 -1.196 3.194 197 HZ3 TRP 26 HZ3 TRP 26 -16.211 1.251 -0.026 198 HH2 TRP 26 HH2 TRP 26 -18.132 0.294 1.240 199 H CYS 27 H CYS 27 -9.588 0.641 0.853 200 HA CYS 27 HA CYS 27 -11.129 2.774 -0.519 201 HB2 CYS 27 HB2 CYS 27 -8.497 2.954 -0.091 202 HB3 CYS 27 HB3 CYS 27 -8.472 2.018 -1.585 203 H LYS 28 H LYS 28 -12.526 1.957 -2.059 204 HA LYS 28 HA LYS 28 -11.848 -0.713 -3.215 205 HB2 LYS 28 HB2 LYS 28 -14.355 0.022 -1.728 206 HB3 LYS 28 HB3 LYS 28 -14.311 -1.308 -2.869 207 HG2 LYS 28 HG2 LYS 28 -12.560 -1.091 -0.400 208 HG3 LYS 28 HG3 LYS 28 -14.012 -2.077 -0.562 209 HD2 LYS 28 HD2 LYS 28 -12.807 -3.283 -2.494 210 HD3 LYS 28 HD3 LYS 28 -11.335 -2.475 -1.943 211 HE2 LYS 28 HE2 LYS 28 -11.624 -3.465 0.311 212 HE3 LYS 28 HE3 LYS 28 -13.117 -4.260 -0.231 213 HZ1 LYS 28 HZ1 LYS 28 -11.810 -5.491 -1.854 214 HZ2 LYS 28 HZ2 LYS 28 -11.241 -5.795 -0.372 215 HZ3 LYS 28 HZ3 LYS 28 -10.423 -4.760 -1.372 216 H LYS 29 H LYS 29 -12.574 -1.434 -4.936 217 HA LYS 29 HA LYS 29 -12.441 0.461 -7.045 218 HB2 LYS 29 HB2 LYS 29 -11.194 -1.674 -6.679 219 HB3 LYS 29 HB3 LYS 29 -12.652 -2.575 -7.095 220 HG2 LYS 29 HG2 LYS 29 -12.566 -1.557 -9.394 221 HG3 LYS 29 HG3 LYS 29 -11.133 -0.653 -8.895 222 HD2 LYS 29 HD2 LYS 29 -10.253 -3.101 -8.184 223 HD3 LYS 29 HD3 LYS 29 -11.481 -3.639 -9.326 224 HE2 LYS 29 HE2 LYS 29 -9.291 -3.529 -10.379 225 HE3 LYS 29 HE3 LYS 29 -10.357 -2.321 -11.115 226 HZ1 LYS 29 HZ1 LYS 29 -8.085 -1.482 -10.527 227 HZ2 LYS 29 HZ2 LYS 29 -8.456 -1.614 -8.916 228 HZ3 LYS 29 HZ3 LYS 29 -9.292 -0.613 -9.880 229 H LYS 30 H LYS 30 -14.573 1.506 -6.741 230 HA LYS 30 HA LYS 30 -16.850 0.103 -8.028 231 HB2 LYS 30 HB2 LYS 30 -18.181 1.944 -7.482 232 HB3 LYS 30 HB3 LYS 30 -17.183 1.632 -6.077 233 HG2 LYS 30 HG2 LYS 30 -16.081 3.588 -6.176 234 HG3 LYS 30 HG3 LYS 30 -16.040 3.675 -7.929 235 HD2 LYS 30 HD2 LYS 30 -18.685 4.063 -6.499 236 HD3 LYS 30 HD3 LYS 30 -17.494 5.354 -6.546 237 HE2 LYS 30 HE2 LYS 30 -18.973 5.757 -8.337 238 HE3 LYS 30 HE3 LYS 30 -17.425 5.274 -9.010 239 HZ1 LYS 30 HZ1 LYS 30 -19.809 3.506 -8.787 240 HZ2 LYS 30 HZ2 LYS 30 -18.379 3.093 -9.495 241 HZ3 LYS 30 HZ3 LYS 30 -19.306 4.245 -10.160 242 H LEU 31 H LEU 31 -14.175 1.678 -9.331 243 HA LEU 31 HA LEU 31 -15.572 3.136 -11.440 244 HB2 LEU 31 HB2 LEU 31 -13.476 3.904 -10.442 245 HB3 LEU 31 HB3 LEU 31 -12.632 2.483 -11.057 246 HG LEU 31 HG LEU 31 -14.113 4.177 -13.064 247 HD11 LEU 31 HD11 LEU 31 -11.457 5.035 -11.856 248 HD12 LEU 31 HD12 LEU 31 -13.026 5.870 -11.653 249 HD13 LEU 31 HD13 LEU 31 -12.279 5.766 -13.248 250 HD21 LEU 31 HD21 LEU 31 -12.117 3.689 -14.450 251 HD22 LEU 31 HD22 LEU 31 -12.813 2.197 -13.835 252 HD23 LEU 31 HD23 LEU 31 -11.349 2.864 -13.079 253 H LEU 32 H LEU 32 -16.304 2.333 -13.305 254 HA LEU 32 HA LEU 32 -14.916 0.211 -14.737 255 HB2 LEU 32 HB2 LEU 32 -16.557 -1.462 -14.674 256 HB3 LEU 32 HB3 LEU 32 -16.289 -1.043 -12.991 257 HG LEU 32 HG LEU 32 -18.663 -0.079 -14.702 258 HD11 LEU 32 HD11 LEU 32 -18.512 -2.220 -12.542 259 HD12 LEU 32 HD12 LEU 32 -18.699 -2.507 -14.284 260 HD13 LEU 32 HD13 LEU 32 -19.975 -1.681 -13.388 261 HD21 LEU 32 HD21 LEU 32 -18.253 1.500 -12.810 262 HD22 LEU 32 HD22 LEU 32 -18.215 0.124 -11.684 263 HD23 LEU 32 HD23 LEU 32 -19.706 0.554 -12.544 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 2.726 -4.379 3.430 2 H2 GLY 1 H2 GLY 1 1.271 -4.954 3.939 3 H3 GLY 1 H3 GLY 1 2.647 -5.847 4.163 4 HA2 GLY 1 HA2 GLY 1 2.917 -6.224 1.868 5 HA3 GLY 1 HA3 GLY 1 1.264 -6.682 2.330 6 HA PRO 2 HA PRO 2 1.750 -2.954 -0.668 7 HB2 PRO 2 HB2 PRO 2 2.046 -3.965 -3.188 8 HB3 PRO 2 HB3 PRO 2 3.413 -3.774 -2.047 9 HG2 PRO 2 HG2 PRO 2 1.774 -6.269 -2.610 10 HG3 PRO 2 HG3 PRO 2 3.562 -6.101 -2.576 11 HD2 PRO 2 HD2 PRO 2 2.169 -7.015 -0.421 12 HD3 PRO 2 HD3 PRO 2 3.599 -5.956 -0.238 13 H TYR 3 H TYR 3 -0.369 -5.737 -0.850 14 HA TYR 3 HA TYR 3 -2.010 -4.636 -2.945 15 HB2 TYR 3 HB2 TYR 3 -1.991 -7.246 -1.555 16 HB3 TYR 3 HB3 TYR 3 -3.369 -6.773 -2.527 17 HD1 TYR 3 HD1 TYR 3 -0.045 -8.143 -2.622 18 HD2 TYR 3 HD2 TYR 3 -3.121 -6.197 -4.946 19 HE1 TYR 3 HE1 TYR 3 0.908 -9.107 -4.711 20 HE2 TYR 3 HE2 TYR 3 -2.158 -7.182 -7.027 21 HH TYR 3 HH TYR 3 0.628 -9.408 -6.961 22 H CYS 4 H CYS 4 -2.174 -2.732 -1.302 23 HA CYS 4 HA CYS 4 -3.679 -2.413 0.820 24 HB2 CYS 4 HB2 CYS 4 -4.377 -0.115 -0.334 25 HB3 CYS 4 HB3 CYS 4 -2.750 -0.496 0.159 26 H GLN 5 H GLN 5 -5.339 -2.393 -2.354 27 HA GLN 5 HA GLN 5 -7.962 -1.967 -1.285 28 HB2 GLN 5 HB2 GLN 5 -7.447 -1.258 -3.448 29 HB3 GLN 5 HB3 GLN 5 -6.784 -2.803 -3.939 30 HG2 GLN 5 HG2 GLN 5 -9.701 -2.788 -3.216 31 HG3 GLN 5 HG3 GLN 5 -9.230 -1.870 -4.646 32 HE21 GLN 5 HE21 GLN 5 -7.756 -3.058 -6.276 33 HE22 GLN 5 HE22 GLN 5 -8.103 -4.762 -6.501 34 H LYS 6 H LYS 6 -6.237 -4.952 -2.119 35 HA LYS 6 HA LYS 6 -8.445 -6.765 -1.490 36 HB2 LYS 6 HB2 LYS 6 -5.531 -7.063 -2.184 37 HB3 LYS 6 HB3 LYS 6 -6.428 -8.442 -1.549 38 HG2 LYS 6 HG2 LYS 6 -7.922 -8.501 -3.357 39 HG3 LYS 6 HG3 LYS 6 -7.499 -6.881 -3.919 40 HD2 LYS 6 HD2 LYS 6 -5.520 -7.522 -4.904 41 HD3 LYS 6 HD3 LYS 6 -5.275 -8.905 -3.847 42 HE2 LYS 6 HE2 LYS 6 -7.478 -8.782 -5.950 43 HE3 LYS 6 HE3 LYS 6 -5.864 -9.436 -6.263 44 HZ1 LYS 6 HZ1 LYS 6 -7.634 -10.491 -4.134 45 HZ2 LYS 6 HZ2 LYS 6 -6.211 -11.114 -4.599 46 HZ3 LYS 6 HZ3 LYS 6 -7.497 -11.152 -5.633 47 H TRP 7 H TRP 7 -5.620 -5.573 0.237 48 HA TRP 7 HA TRP 7 -6.131 -7.196 2.608 49 HB2 TRP 7 HB2 TRP 7 -3.957 -5.467 1.597 50 HB3 TRP 7 HB3 TRP 7 -4.182 -5.383 3.326 51 HD1 TRP 7 HD1 TRP 7 -3.623 -7.440 4.773 52 HE1 TRP 7 HE1 TRP 7 -2.762 -9.814 4.380 53 HE3 TRP 7 HE3 TRP 7 -4.017 -7.566 -0.289 54 HZ2 TRP 7 HZ2 TRP 7 -2.237 -11.545 2.116 55 HZ3 TRP 7 HZ3 TRP 7 -3.428 -9.624 -1.547 56 HH2 TRP 7 HH2 TRP 7 -2.523 -11.604 -0.365 57 H MET 8 H MET 8 -7.595 -4.432 1.634 58 HA MET 8 HA MET 8 -8.940 -2.898 2.601 59 HB2 MET 8 HB2 MET 8 -8.924 -4.749 5.001 60 HB3 MET 8 HB3 MET 8 -10.010 -3.391 4.791 61 HG2 MET 8 HG2 MET 8 -11.248 -4.425 3.127 62 HG3 MET 8 HG3 MET 8 -9.930 -5.470 2.609 63 HE1 MET 8 HE1 MET 8 -9.300 -7.656 3.433 64 HE2 MET 8 HE2 MET 8 -8.836 -7.052 5.042 65 HE3 MET 8 HE3 MET 8 -9.903 -8.461 4.890 66 H GLN 9 H GLN 9 -6.843 -1.773 2.358 67 HA GLN 9 HA GLN 9 -5.097 -0.986 4.318 68 HB2 GLN 9 HB2 GLN 9 -4.544 0.829 2.757 69 HB3 GLN 9 HB3 GLN 9 -4.809 -0.682 1.935 70 HG2 GLN 9 HG2 GLN 9 -6.615 0.100 0.754 71 HG3 GLN 9 HG3 GLN 9 -7.328 0.877 2.159 72 HE21 GLN 9 HE21 GLN 9 -5.874 2.870 2.949 73 HE22 GLN 9 HE22 GLN 9 -5.432 3.969 1.626 74 H THR 10 H THR 10 -7.693 -0.642 5.589 75 HA THR 10 HA THR 10 -8.893 0.785 6.938 76 HB THR 10 HB THR 10 -6.092 1.502 7.811 77 HG1 THR 10 HG1 THR 10 -6.102 -0.443 8.785 78 HG21 THR 10 HG21 THR 10 -7.681 2.524 9.278 79 HG22 THR 10 HG22 THR 10 -7.371 0.960 10.053 80 HG23 THR 10 HG23 THR 10 -8.831 1.189 9.094 81 H CYS 11 H CYS 11 -9.506 2.092 4.962 82 HA CYS 11 HA CYS 11 -8.128 4.647 4.676 83 HB2 CYS 11 HB2 CYS 11 -9.310 2.978 2.900 84 HB3 CYS 11 HB3 CYS 11 -10.556 4.212 3.058 85 H ASP 12 H ASP 12 -9.149 6.750 4.769 86 HA ASP 12 HA ASP 12 -10.759 7.073 7.231 87 HB2 ASP 12 HB2 ASP 12 -8.607 5.632 7.631 88 HB3 ASP 12 HB3 ASP 12 -7.691 7.077 7.205 89 H SER 13 H SER 13 -9.792 9.334 8.201 90 HA SER 13 HA SER 13 -9.981 11.397 6.211 91 HB2 SER 13 HB2 SER 13 -10.497 11.843 8.528 92 HB3 SER 13 HB3 SER 13 -8.845 11.429 8.990 93 HG SER 13 HG SER 13 -9.838 13.770 7.924 94 H GLU 14 H GLU 14 -7.019 10.148 7.866 95 HA GLU 14 HA GLU 14 -5.394 11.938 6.200 96 HB2 GLU 14 HB2 GLU 14 -5.313 11.603 8.711 97 HB3 GLU 14 HB3 GLU 14 -4.456 10.096 8.413 98 HG2 GLU 14 HG2 GLU 14 -2.572 11.230 7.477 99 HG3 GLU 14 HG3 GLU 14 -3.498 12.703 7.194 100 H ARG 15 H ARG 15 -6.622 9.340 5.041 101 HA ARG 15 HA ARG 15 -4.145 7.794 4.500 102 HB2 ARG 15 HB2 ARG 15 -7.032 7.102 4.684 103 HB3 ARG 15 HB3 ARG 15 -6.053 6.144 3.579 104 HG2 ARG 15 HG2 ARG 15 -4.994 6.709 6.374 105 HG3 ARG 15 HG3 ARG 15 -6.220 5.461 6.137 106 HD2 ARG 15 HD2 ARG 15 -4.889 4.158 4.715 107 HD3 ARG 15 HD3 ARG 15 -3.786 5.520 4.331 108 HE ARG 15 HE ARG 15 -2.951 5.445 6.633 109 HH11 ARG 15 HH11 ARG 15 -4.653 2.463 5.710 110 HH12 ARG 15 HH12 ARG 15 -3.533 1.503 6.664 111 HH21 ARG 15 HH21 ARG 15 -1.697 4.183 7.787 112 HH22 ARG 15 HH22 ARG 15 -2.035 2.472 7.946 113 H LYS 16 H LYS 16 -3.072 7.849 2.815 114 HA LYS 16 HA LYS 16 -3.953 8.528 0.144 115 HB2 LYS 16 HB2 LYS 16 -1.922 7.420 -0.591 116 HB3 LYS 16 HB3 LYS 16 -1.569 8.422 0.812 117 HG2 LYS 16 HG2 LYS 16 -1.678 6.318 2.253 118 HG3 LYS 16 HG3 LYS 16 -1.907 5.392 0.772 119 HD2 LYS 16 HD2 LYS 16 0.307 5.200 0.634 120 HD3 LYS 16 HD3 LYS 16 0.381 6.896 0.180 121 HE2 LYS 16 HE2 LYS 16 0.630 5.747 3.002 122 HE3 LYS 16 HE3 LYS 16 1.950 6.335 1.988 123 HZ1 LYS 16 HZ1 LYS 16 1.368 8.038 3.519 124 HZ2 LYS 16 HZ2 LYS 16 -0.220 8.008 3.146 125 HZ3 LYS 16 HZ3 LYS 16 0.892 8.561 2.059 126 H CYS 17 H CYS 17 -4.350 7.025 -1.593 127 HA CYS 17 HA CYS 17 -5.898 4.627 -0.718 128 HB2 CYS 17 HB2 CYS 17 -7.357 6.535 -0.837 129 HB3 CYS 17 HB3 CYS 17 -6.743 6.943 -2.435 130 H CYS 18 H CYS 18 -5.842 2.920 -1.910 131 HA CYS 18 HA CYS 18 -3.738 2.275 -3.446 132 HB2 CYS 18 HB2 CYS 18 -5.663 0.950 -2.206 133 HB3 CYS 18 HB3 CYS 18 -6.362 0.827 -3.809 134 H GLU 19 H GLU 19 -6.832 3.339 -4.886 135 HA GLU 19 HA GLU 19 -5.569 3.506 -7.556 136 HB2 GLU 19 HB2 GLU 19 -8.198 2.085 -7.298 137 HB3 GLU 19 HB3 GLU 19 -7.182 2.266 -8.705 138 HG2 GLU 19 HG2 GLU 19 -5.569 0.651 -7.774 139 HG3 GLU 19 HG3 GLU 19 -6.530 0.504 -6.303 140 H GLY 20 H GLY 20 -6.558 5.561 -5.671 141 HA2 GLY 20 HA2 GLY 20 -7.600 7.596 -5.805 142 HA3 GLY 20 HA3 GLY 20 -7.857 7.280 -7.517 143 H MET 21 H MET 21 -9.403 4.931 -5.613 144 HA MET 21 HA MET 21 -12.092 5.852 -6.226 145 HB2 MET 21 HB2 MET 21 -12.748 3.753 -5.157 146 HB3 MET 21 HB3 MET 21 -11.459 3.472 -6.321 147 HG2 MET 21 HG2 MET 21 -10.785 3.940 -3.414 148 HG3 MET 21 HG3 MET 21 -11.384 2.394 -3.907 149 HE1 MET 21 HE1 MET 21 -10.019 1.021 -6.183 150 HE2 MET 21 HE2 MET 21 -8.494 0.552 -5.408 151 HE3 MET 21 HE3 MET 21 -9.976 0.502 -4.476 152 H VAL 22 H VAL 22 -13.715 5.392 -4.248 153 HA VAL 22 HA VAL 22 -13.411 7.479 -2.271 154 HB VAL 22 HB VAL 22 -15.367 5.153 -2.479 155 HG11 VAL 22 HG11 VAL 22 -15.460 7.627 -0.696 156 HG12 VAL 22 HG12 VAL 22 -16.820 6.518 -0.976 157 HG13 VAL 22 HG13 VAL 22 -15.373 5.920 -0.175 158 HG21 VAL 22 HG21 VAL 22 -15.542 6.734 -4.379 159 HG22 VAL 22 HG22 VAL 22 -16.940 6.877 -3.313 160 HG23 VAL 22 HG23 VAL 22 -15.651 8.094 -3.243 161 H CYS 23 H CYS 23 -12.943 7.358 -0.136 162 HA CYS 23 HA CYS 23 -11.346 5.008 0.777 163 HB2 CYS 23 HB2 CYS 23 -10.016 6.878 -0.041 164 HB3 CYS 23 HB3 CYS 23 -10.928 8.007 0.941 165 H ARG 24 H ARG 24 -13.176 4.159 1.900 166 HA ARG 24 HA ARG 24 -13.626 5.373 4.588 167 HB2 ARG 24 HB2 ARG 24 -15.821 4.777 2.576 168 HB3 ARG 24 HB3 ARG 24 -16.093 4.559 4.296 169 HG2 ARG 24 HG2 ARG 24 -16.880 6.667 4.091 170 HG3 ARG 24 HG3 ARG 24 -15.210 7.002 4.559 171 HD2 ARG 24 HD2 ARG 24 -14.683 7.241 2.038 172 HD3 ARG 24 HD3 ARG 24 -16.409 7.006 1.748 173 HE ARG 24 HE ARG 24 -16.788 9.162 2.403 174 HH11 ARG 24 HH11 ARG 24 -13.572 8.309 3.557 175 HH12 ARG 24 HH12 ARG 24 -13.327 9.821 4.345 176 HH21 ARG 24 HH21 ARG 24 -16.385 11.115 3.291 177 HH22 ARG 24 HH22 ARG 24 -14.956 11.417 4.248 178 H LEU 25 H LEU 25 -12.847 3.939 5.859 179 HA LEU 25 HA LEU 25 -12.154 2.096 6.875 180 HB2 LEU 25 HB2 LEU 25 -14.590 0.731 5.667 181 HB3 LEU 25 HB3 LEU 25 -13.490 0.027 6.836 182 HG LEU 25 HG LEU 25 -14.045 2.004 8.394 183 HD11 LEU 25 HD11 LEU 25 -15.238 3.523 6.890 184 HD12 LEU 25 HD12 LEU 25 -16.324 2.953 8.128 185 HD13 LEU 25 HD13 LEU 25 -16.411 2.253 6.477 186 HD21 LEU 25 HD21 LEU 25 -14.814 -0.311 8.717 187 HD22 LEU 25 HD22 LEU 25 -16.220 0.004 7.676 188 HD23 LEU 25 HD23 LEU 25 -16.028 0.852 9.238 189 H TRP 26 H TRP 26 -12.783 1.555 3.461 190 HA TRP 26 HA TRP 26 -10.000 0.728 3.089 191 HB2 TRP 26 HB2 TRP 26 -11.082 -1.117 1.454 192 HB3 TRP 26 HB3 TRP 26 -10.575 -1.401 3.092 193 HD1 TRP 26 HD1 TRP 26 -12.202 -2.578 4.600 194 HE1 TRP 26 HE1 TRP 26 -14.704 -2.976 4.721 195 HE3 TRP 26 HE3 TRP 26 -13.715 0.566 0.844 196 HZ2 TRP 26 HZ2 TRP 26 -17.080 -2.068 3.403 197 HZ3 TRP 26 HZ3 TRP 26 -16.125 0.937 0.475 198 HH2 TRP 26 HH2 TRP 26 -17.821 -0.400 1.700 199 H CYS 27 H CYS 27 -9.771 0.317 0.564 200 HA CYS 27 HA CYS 27 -11.277 2.354 -0.995 201 HB2 CYS 27 HB2 CYS 27 -8.338 2.157 -0.530 202 HB3 CYS 27 HB3 CYS 27 -8.811 2.259 -2.205 203 H LYS 28 H LYS 28 -12.549 1.099 -2.246 204 HA LYS 28 HA LYS 28 -11.366 -1.239 -3.701 205 HB2 LYS 28 HB2 LYS 28 -14.092 -0.947 -2.435 206 HB3 LYS 28 HB3 LYS 28 -13.873 -1.943 -3.861 207 HG2 LYS 28 HG2 LYS 28 -13.799 -3.334 -1.945 208 HG3 LYS 28 HG3 LYS 28 -12.220 -3.354 -2.719 209 HD2 LYS 28 HD2 LYS 28 -11.221 -2.146 -0.942 210 HD3 LYS 28 HD3 LYS 28 -12.771 -1.505 -0.388 211 HE2 LYS 28 HE2 LYS 28 -11.929 -3.185 1.178 212 HE3 LYS 28 HE3 LYS 28 -13.453 -3.687 0.451 213 HZ1 LYS 28 HZ1 LYS 28 -12.278 -5.170 -0.982 214 HZ2 LYS 28 HZ2 LYS 28 -11.788 -5.486 0.511 215 HZ3 LYS 28 HZ3 LYS 28 -10.793 -4.642 -0.514 216 H LYS 29 H LYS 29 -11.838 -1.407 -5.917 217 HA LYS 29 HA LYS 29 -12.062 1.112 -7.314 218 HB2 LYS 29 HB2 LYS 29 -10.784 -0.732 -8.261 219 HB3 LYS 29 HB3 LYS 29 -12.214 -1.766 -8.275 220 HG2 LYS 29 HG2 LYS 29 -13.270 -0.094 -9.887 221 HG3 LYS 29 HG3 LYS 29 -11.681 0.643 -10.042 222 HD2 LYS 29 HD2 LYS 29 -11.997 -2.344 -10.527 223 HD3 LYS 29 HD3 LYS 29 -12.634 -1.209 -11.696 224 HE2 LYS 29 HE2 LYS 29 -10.585 -1.704 -12.572 225 HE3 LYS 29 HE3 LYS 29 -10.328 -0.127 -11.820 226 HZ1 LYS 29 HZ1 LYS 29 -9.624 -2.691 -10.508 227 HZ2 LYS 29 HZ2 LYS 29 -9.124 -1.186 -10.051 228 HZ3 LYS 29 HZ3 LYS 29 -8.572 -1.882 -11.448 229 H LYS 30 H LYS 30 -13.817 2.277 -7.615 230 HA LYS 30 HA LYS 30 -16.487 1.080 -7.901 231 HB2 LYS 30 HB2 LYS 30 -15.891 1.193 -5.418 232 HB3 LYS 30 HB3 LYS 30 -15.967 2.944 -5.549 233 HG2 LYS 30 HG2 LYS 30 -18.235 1.002 -6.231 234 HG3 LYS 30 HG3 LYS 30 -18.036 1.807 -4.673 235 HD2 LYS 30 HD2 LYS 30 -18.262 4.019 -5.778 236 HD3 LYS 30 HD3 LYS 30 -18.549 3.200 -7.331 237 HE2 LYS 30 HE2 LYS 30 -20.556 2.163 -6.543 238 HE3 LYS 30 HE3 LYS 30 -20.281 2.740 -4.883 239 HZ1 LYS 30 HZ1 LYS 30 -20.588 4.549 -7.202 240 HZ2 LYS 30 HZ2 LYS 30 -20.558 4.978 -5.623 241 HZ3 LYS 30 HZ3 LYS 30 -21.849 4.153 -6.214 242 H LEU 31 H LEU 31 -16.919 2.013 -9.736 243 HA LEU 31 HA LEU 31 -16.933 4.859 -10.315 244 HB2 LEU 31 HB2 LEU 31 -14.618 4.755 -10.441 245 HB3 LEU 31 HB3 LEU 31 -14.570 3.105 -11.025 246 HG LEU 31 HG LEU 31 -15.763 5.092 -12.914 247 HD11 LEU 31 HD11 LEU 31 -12.808 5.080 -12.232 248 HD12 LEU 31 HD12 LEU 31 -13.947 6.431 -12.075 249 HD13 LEU 31 HD13 LEU 31 -13.522 5.820 -13.676 250 HD21 LEU 31 HD21 LEU 31 -13.724 2.868 -13.246 251 HD22 LEU 31 HD22 LEU 31 -14.464 3.807 -14.554 252 HD23 LEU 31 HD23 LEU 31 -15.461 2.727 -13.573 253 H LEU 32 H LEU 32 -18.095 5.240 -12.228 254 HA LEU 32 HA LEU 32 -19.336 2.769 -13.434 255 HB2 LEU 32 HB2 LEU 32 -21.277 4.100 -13.871 256 HB3 LEU 32 HB3 LEU 32 -20.801 4.327 -12.195 257 HG LEU 32 HG LEU 32 -19.448 6.454 -13.312 258 HD11 LEU 32 HD11 LEU 32 -20.331 6.025 -15.633 259 HD12 LEU 32 HD12 LEU 32 -20.904 7.556 -14.968 260 HD13 LEU 32 HD13 LEU 32 -21.983 6.150 -15.000 261 HD21 LEU 32 HD21 LEU 32 -21.037 6.520 -11.424 262 HD22 LEU 32 HD22 LEU 32 -22.400 6.443 -12.556 263 HD23 LEU 32 HD23 LEU 32 -21.312 7.851 -12.557 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 3.096 -5.768 -2.760 2 H2 GLY 1 H2 GLY 1 3.387 -6.764 -4.042 3 H3 GLY 1 H3 GLY 1 1.925 -6.796 -3.274 4 HA2 GLY 1 HA2 GLY 1 3.341 -8.708 -2.713 5 HA3 GLY 1 HA3 GLY 1 4.467 -7.542 -1.978 6 HA PRO 2 HA PRO 2 1.140 -6.835 1.228 7 HB2 PRO 2 HB2 PRO 2 1.828 -4.258 1.803 8 HB3 PRO 2 HB3 PRO 2 2.698 -5.642 2.537 9 HG2 PRO 2 HG2 PRO 2 3.495 -4.054 0.076 10 HG3 PRO 2 HG3 PRO 2 4.497 -4.432 1.514 11 HD2 PRO 2 HD2 PRO 2 4.646 -5.941 -0.723 12 HD3 PRO 2 HD3 PRO 2 4.705 -6.707 0.885 13 H TYR 3 H TYR 3 -0.641 -5.219 0.984 14 HA TYR 3 HA TYR 3 -0.816 -3.803 -1.573 15 HB2 TYR 3 HB2 TYR 3 -2.652 -6.132 -0.958 16 HB3 TYR 3 HB3 TYR 3 -3.021 -4.902 -2.134 17 HD1 TYR 3 HD1 TYR 3 -1.255 -7.987 -1.592 18 HD2 TYR 3 HD2 TYR 3 -1.452 -4.486 -4.116 19 HE1 TYR 3 HE1 TYR 3 -0.116 -9.229 -3.418 20 HE2 TYR 3 HE2 TYR 3 -0.332 -5.743 -5.938 21 HH TYR 3 HH TYR 3 0.144 -7.933 -6.678 22 H CYS 4 H CYS 4 -3.179 -2.798 -1.778 23 HA CYS 4 HA CYS 4 -4.136 -2.078 0.927 24 HB2 CYS 4 HB2 CYS 4 -4.480 0.313 -0.146 25 HB3 CYS 4 HB3 CYS 4 -3.085 -0.176 0.761 26 H GLN 5 H GLN 5 -5.221 -1.352 -2.454 27 HA GLN 5 HA GLN 5 -7.953 -1.229 -1.704 28 HB2 GLN 5 HB2 GLN 5 -7.571 -0.168 -3.623 29 HB3 GLN 5 HB3 GLN 5 -6.370 -1.306 -4.217 30 HG2 GLN 5 HG2 GLN 5 -9.319 -1.982 -4.206 31 HG3 GLN 5 HG3 GLN 5 -8.605 -1.020 -5.489 32 HE21 GLN 5 HE21 GLN 5 -6.239 -2.203 -6.281 33 HE22 GLN 5 HE22 GLN 5 -6.551 -3.910 -6.587 34 H LYS 6 H LYS 6 -6.092 -4.060 -2.739 35 HA LYS 6 HA LYS 6 -8.345 -5.853 -2.719 36 HB2 LYS 6 HB2 LYS 6 -6.341 -6.284 -3.996 37 HB3 LYS 6 HB3 LYS 6 -5.345 -6.343 -2.533 38 HG2 LYS 6 HG2 LYS 6 -6.352 -8.384 -1.804 39 HG3 LYS 6 HG3 LYS 6 -7.676 -8.243 -2.967 40 HD2 LYS 6 HD2 LYS 6 -6.170 -8.663 -4.835 41 HD3 LYS 6 HD3 LYS 6 -4.763 -8.668 -3.764 42 HE2 LYS 6 HE2 LYS 6 -5.608 -10.607 -2.547 43 HE3 LYS 6 HE3 LYS 6 -7.142 -10.542 -3.418 44 HZ1 LYS 6 HZ1 LYS 6 -5.537 -12.229 -4.186 45 HZ2 LYS 6 HZ2 LYS 6 -4.572 -11.067 -4.809 46 HZ3 LYS 6 HZ3 LYS 6 -6.120 -11.282 -5.385 47 H TRP 7 H TRP 7 -6.687 -4.409 -0.010 48 HA TRP 7 HA TRP 7 -7.376 -6.697 1.763 49 HB2 TRP 7 HB2 TRP 7 -5.065 -6.647 0.377 50 HB3 TRP 7 HB3 TRP 7 -4.543 -5.612 1.668 51 HD1 TRP 7 HD1 TRP 7 -6.660 -8.180 3.268 52 HE1 TRP 7 HE1 TRP 7 -5.299 -10.167 4.109 53 HE3 TRP 7 HE3 TRP 7 -2.226 -7.242 0.863 54 HZ2 TRP 7 HZ2 TRP 7 -2.708 -11.314 3.676 55 HZ3 TRP 7 HZ3 TRP 7 -0.344 -8.861 1.033 56 HH2 TRP 7 HH2 TRP 7 -0.565 -10.895 2.431 57 H MET 8 H MET 8 -8.867 -4.719 2.289 58 HA MET 8 HA MET 8 -9.581 -3.293 3.897 59 HB2 MET 8 HB2 MET 8 -7.977 -5.294 5.478 60 HB3 MET 8 HB3 MET 8 -9.181 -4.190 6.167 61 HG2 MET 8 HG2 MET 8 -10.829 -5.039 4.449 62 HG3 MET 8 HG3 MET 8 -9.683 -6.327 4.080 63 HE1 MET 8 HE1 MET 8 -12.922 -6.049 5.411 64 HE2 MET 8 HE2 MET 8 -12.220 -7.385 4.480 65 HE3 MET 8 HE3 MET 8 -12.885 -7.689 6.100 66 H GLN 9 H GLN 9 -7.424 -1.938 2.732 67 HA GLN 9 HA GLN 9 -5.508 -0.949 4.429 68 HB2 GLN 9 HB2 GLN 9 -4.995 0.589 2.639 69 HB3 GLN 9 HB3 GLN 9 -5.510 -0.949 2.005 70 HG2 GLN 9 HG2 GLN 9 -7.252 -0.034 0.866 71 HG3 GLN 9 HG3 GLN 9 -7.841 0.797 2.296 72 HE21 GLN 9 HE21 GLN 9 -6.308 2.765 2.961 73 HE22 GLN 9 HE22 GLN 9 -5.897 3.817 1.612 74 H THR 10 H THR 10 -8.302 -0.178 5.634 75 HA THR 10 HA THR 10 -9.077 1.585 6.971 76 HB THR 10 HB THR 10 -6.102 1.632 7.535 77 HG1 THR 10 HG1 THR 10 -6.365 -0.289 8.459 78 HG21 THR 10 HG21 THR 10 -8.389 1.523 9.523 79 HG22 THR 10 HG22 THR 10 -7.789 3.065 8.932 80 HG23 THR 10 HG23 THR 10 -6.698 1.977 9.805 81 H CYS 11 H CYS 11 -9.552 2.968 4.948 82 HA CYS 11 HA CYS 11 -7.571 5.018 4.353 83 HB2 CYS 11 HB2 CYS 11 -8.881 3.677 2.669 84 HB3 CYS 11 HB3 CYS 11 -10.273 4.692 3.052 85 H ASP 12 H ASP 12 -7.876 5.772 6.704 86 HA ASP 12 HA ASP 12 -9.973 7.701 7.229 87 HB2 ASP 12 HB2 ASP 12 -7.206 7.291 8.400 88 HB3 ASP 12 HB3 ASP 12 -8.343 8.534 8.935 89 H SER 13 H SER 13 -9.464 10.094 7.549 90 HA SER 13 HA SER 13 -8.947 11.313 5.089 91 HB2 SER 13 HB2 SER 13 -8.539 13.429 6.596 92 HB3 SER 13 HB3 SER 13 -10.119 12.659 6.497 93 HG SER 13 HG SER 13 -8.165 12.369 8.581 94 H GLU 14 H GLU 14 -6.473 10.469 7.440 95 HA GLU 14 HA GLU 14 -4.462 12.006 5.895 96 HB2 GLU 14 HB2 GLU 14 -2.943 11.647 7.740 97 HB3 GLU 14 HB3 GLU 14 -4.464 12.326 8.287 98 HG2 GLU 14 HG2 GLU 14 -5.101 9.776 8.745 99 HG3 GLU 14 HG3 GLU 14 -3.355 9.542 8.700 100 H ARG 15 H ARG 15 -5.740 9.054 5.377 101 HA ARG 15 HA ARG 15 -3.154 7.701 4.734 102 HB2 ARG 15 HB2 ARG 15 -5.682 6.753 5.700 103 HB3 ARG 15 HB3 ARG 15 -5.460 6.077 4.100 104 HG2 ARG 15 HG2 ARG 15 -3.211 5.985 6.170 105 HG3 ARG 15 HG3 ARG 15 -4.543 4.827 6.212 106 HD2 ARG 15 HD2 ARG 15 -4.067 4.053 3.935 107 HD3 ARG 15 HD3 ARG 15 -2.802 5.314 3.742 108 HE ARG 15 HE ARG 15 -1.319 4.021 4.955 109 HH11 ARG 15 HH11 ARG 15 -4.545 2.589 5.480 110 HH12 ARG 15 HH12 ARG 15 -3.906 1.683 6.845 111 HH21 ARG 15 HH21 ARG 15 -0.680 2.493 6.578 112 HH22 ARG 15 HH22 ARG 15 -1.968 1.581 7.342 113 H LYS 16 H LYS 16 -2.747 6.899 2.662 114 HA LYS 16 HA LYS 16 -3.901 8.197 0.318 115 HB2 LYS 16 HB2 LYS 16 -2.391 5.555 0.377 116 HB3 LYS 16 HB3 LYS 16 -2.636 6.642 -0.986 117 HG2 LYS 16 HG2 LYS 16 -1.280 8.373 0.450 118 HG3 LYS 16 HG3 LYS 16 -0.798 6.950 1.379 119 HD2 LYS 16 HD2 LYS 16 -0.117 5.895 -0.891 120 HD3 LYS 16 HD3 LYS 16 -0.373 7.499 -1.592 121 HE2 LYS 16 HE2 LYS 16 1.958 7.306 -1.153 122 HE3 LYS 16 HE3 LYS 16 1.309 8.425 0.045 123 HZ1 LYS 16 HZ1 LYS 16 2.843 6.673 0.943 124 HZ2 LYS 16 HZ2 LYS 16 1.763 5.532 0.549 125 HZ3 LYS 16 HZ3 LYS 16 1.372 6.658 1.688 126 H CYS 17 H CYS 17 -4.992 7.021 -1.355 127 HA CYS 17 HA CYS 17 -6.478 4.564 -0.533 128 HB2 CYS 17 HB2 CYS 17 -7.990 6.507 -0.775 129 HB3 CYS 17 HB3 CYS 17 -7.419 6.744 -2.419 130 H CYS 18 H CYS 18 -5.759 2.858 -1.615 131 HA CYS 18 HA CYS 18 -3.523 2.741 -3.040 132 HB2 CYS 18 HB2 CYS 18 -5.343 0.951 -2.153 133 HB3 CYS 18 HB3 CYS 18 -5.618 0.796 -3.879 134 H GLU 19 H GLU 19 -6.692 2.882 -4.655 135 HA GLU 19 HA GLU 19 -5.403 3.451 -7.303 136 HB2 GLU 19 HB2 GLU 19 -8.198 2.381 -7.011 137 HB3 GLU 19 HB3 GLU 19 -7.111 2.269 -8.394 138 HG2 GLU 19 HG2 GLU 19 -7.023 0.683 -5.803 139 HG3 GLU 19 HG3 GLU 19 -7.596 0.113 -7.360 140 H GLY 20 H GLY 20 -6.496 5.190 -4.934 141 HA2 GLY 20 HA2 GLY 20 -7.523 7.203 -4.671 142 HA3 GLY 20 HA3 GLY 20 -7.850 7.241 -6.405 143 H MET 21 H MET 21 -9.427 4.481 -5.549 144 HA MET 21 HA MET 21 -11.957 6.011 -5.219 145 HB2 MET 21 HB2 MET 21 -13.024 4.378 -6.618 146 HB3 MET 21 HB3 MET 21 -11.626 5.113 -7.394 147 HG2 MET 21 HG2 MET 21 -10.315 3.006 -6.580 148 HG3 MET 21 HG3 MET 21 -11.902 2.314 -6.271 149 HE1 MET 21 HE1 MET 21 -9.174 3.242 -8.821 150 HE2 MET 21 HE2 MET 21 -9.987 3.305 -10.369 151 HE3 MET 21 HE3 MET 21 -10.286 4.581 -9.173 152 H VAL 22 H VAL 22 -13.470 5.632 -3.870 153 HA VAL 22 HA VAL 22 -14.718 4.877 -2.247 154 HB VAL 22 HB VAL 22 -14.018 2.000 -2.543 155 HG11 VAL 22 HG11 VAL 22 -16.617 3.528 -2.061 156 HG12 VAL 22 HG12 VAL 22 -16.466 1.759 -2.162 157 HG13 VAL 22 HG13 VAL 22 -15.699 2.630 -0.837 158 HG21 VAL 22 HG21 VAL 22 -15.698 3.617 -4.487 159 HG22 VAL 22 HG22 VAL 22 -14.228 2.678 -4.857 160 HG23 VAL 22 HG23 VAL 22 -15.709 1.851 -4.373 161 H CYS 23 H CYS 23 -12.470 5.968 -1.405 162 HA CYS 23 HA CYS 23 -11.155 4.669 0.758 163 HB2 CYS 23 HB2 CYS 23 -10.404 6.663 -0.492 164 HB3 CYS 23 HB3 CYS 23 -11.742 7.588 0.172 165 H ARG 24 H ARG 24 -12.892 3.547 1.836 166 HA ARG 24 HA ARG 24 -13.978 4.993 4.176 167 HB2 ARG 24 HB2 ARG 24 -15.855 3.434 2.335 168 HB3 ARG 24 HB3 ARG 24 -16.210 4.061 3.931 169 HG2 ARG 24 HG2 ARG 24 -17.285 5.597 2.701 170 HG3 ARG 24 HG3 ARG 24 -15.727 6.421 2.882 171 HD2 ARG 24 HD2 ARG 24 -15.060 5.520 0.607 172 HD3 ARG 24 HD3 ARG 24 -16.564 4.595 0.549 173 HE ARG 24 HE ARG 24 -17.783 6.511 0.150 174 HH11 ARG 24 HH11 ARG 24 -14.610 7.569 1.313 175 HH12 ARG 24 HH12 ARG 24 -14.873 9.196 0.736 176 HH21 ARG 24 HH21 ARG 24 -17.952 8.553 -0.676 177 HH22 ARG 24 HH22 ARG 24 -16.869 9.788 -0.091 178 H LEU 25 H LEU 25 -12.941 3.733 5.625 179 HA LEU 25 HA LEU 25 -12.134 2.060 6.853 180 HB2 LEU 25 HB2 LEU 25 -14.326 0.286 5.756 181 HB3 LEU 25 HB3 LEU 25 -13.391 0.035 7.224 182 HG LEU 25 HG LEU 25 -15.388 2.298 6.737 183 HD11 LEU 25 HD11 LEU 25 -16.439 0.106 7.039 184 HD12 LEU 25 HD12 LEU 25 -16.705 1.115 8.473 185 HD13 LEU 25 HD13 LEU 25 -15.490 -0.164 8.518 186 HD21 LEU 25 HD21 LEU 25 -15.093 2.760 9.173 187 HD22 LEU 25 HD22 LEU 25 -13.632 3.103 8.246 188 HD23 LEU 25 HD23 LEU 25 -13.742 1.609 9.208 189 H TRP 26 H TRP 26 -12.448 1.377 3.511 190 HA TRP 26 HA TRP 26 -9.749 0.227 3.387 191 HB2 TRP 26 HB2 TRP 26 -11.453 -1.183 1.505 192 HB3 TRP 26 HB3 TRP 26 -10.377 -1.814 2.700 193 HD1 TRP 26 HD1 TRP 26 -11.611 -2.583 5.053 194 HE1 TRP 26 HE1 TRP 26 -14.057 -3.071 5.639 195 HE3 TRP 26 HE3 TRP 26 -13.867 -0.275 1.083 196 HZ2 TRP 26 HZ2 TRP 26 -16.663 -2.408 4.611 197 HZ3 TRP 26 HZ3 TRP 26 -16.338 -0.145 0.960 198 HH2 TRP 26 HH2 TRP 26 -17.747 -1.207 2.707 199 H CYS 27 H CYS 27 -9.804 -0.225 0.640 200 HA CYS 27 HA CYS 27 -11.312 1.882 -0.691 201 HB2 CYS 27 HB2 CYS 27 -8.390 1.387 -1.300 202 HB3 CYS 27 HB3 CYS 27 -9.534 2.076 -2.464 203 H LYS 28 H LYS 28 -11.782 1.209 -2.992 204 HA LYS 28 HA LYS 28 -12.006 -1.750 -3.129 205 HB2 LYS 28 HB2 LYS 28 -13.865 -0.536 -1.688 206 HB3 LYS 28 HB3 LYS 28 -14.558 -0.132 -3.233 207 HG2 LYS 28 HG2 LYS 28 -15.656 -2.068 -2.575 208 HG3 LYS 28 HG3 LYS 28 -14.507 -2.669 -3.768 209 HD2 LYS 28 HD2 LYS 28 -13.878 -2.662 -0.774 210 HD3 LYS 28 HD3 LYS 28 -14.851 -3.930 -1.495 211 HE2 LYS 28 HE2 LYS 28 -13.098 -5.031 -2.264 212 HE3 LYS 28 HE3 LYS 28 -12.496 -3.628 -3.129 213 HZ1 LYS 28 HZ1 LYS 28 -11.958 -4.328 -0.302 214 HZ2 LYS 28 HZ2 LYS 28 -11.449 -2.903 -1.007 215 HZ3 LYS 28 HZ3 LYS 28 -10.869 -4.311 -1.536 216 H LYS 29 H LYS 29 -14.322 -0.097 -5.064 217 HA LYS 29 HA LYS 29 -12.582 0.317 -7.337 218 HB2 LYS 29 HB2 LYS 29 -13.351 -2.339 -6.999 219 HB3 LYS 29 HB3 LYS 29 -14.617 -1.737 -8.062 220 HG2 LYS 29 HG2 LYS 29 -12.863 -0.897 -9.639 221 HG3 LYS 29 HG3 LYS 29 -11.609 -1.451 -8.524 222 HD2 LYS 29 HD2 LYS 29 -12.556 -3.795 -8.729 223 HD3 LYS 29 HD3 LYS 29 -13.636 -3.186 -9.988 224 HE2 LYS 29 HE2 LYS 29 -11.615 -2.428 -11.286 225 HE3 LYS 29 HE3 LYS 29 -10.578 -3.120 -10.036 226 HZ1 LYS 29 HZ1 LYS 29 -12.530 -4.611 -11.696 227 HZ2 LYS 29 HZ2 LYS 29 -11.599 -5.311 -10.525 228 HZ3 LYS 29 HZ3 LYS 29 -10.898 -4.695 -11.856 229 H LYS 30 H LYS 30 -13.587 1.641 -8.817 230 HA LYS 30 HA LYS 30 -16.462 1.926 -8.987 231 HB2 LYS 30 HB2 LYS 30 -15.287 3.450 -6.945 232 HB3 LYS 30 HB3 LYS 30 -15.425 4.605 -8.251 233 HG2 LYS 30 HG2 LYS 30 -17.710 2.892 -7.142 234 HG3 LYS 30 HG3 LYS 30 -17.339 4.542 -6.668 235 HD2 LYS 30 HD2 LYS 30 -18.995 4.977 -8.145 236 HD3 LYS 30 HD3 LYS 30 -17.612 5.092 -9.226 237 HE2 LYS 30 HE2 LYS 30 -18.099 2.637 -9.873 238 HE3 LYS 30 HE3 LYS 30 -19.577 2.783 -8.916 239 HZ1 LYS 30 HZ1 LYS 30 -20.074 3.283 -11.213 240 HZ2 LYS 30 HZ2 LYS 30 -18.871 4.401 -11.311 241 HZ3 LYS 30 HZ3 LYS 30 -20.169 4.695 -10.372 242 H LEU 31 H LEU 31 -13.258 3.002 -10.010 243 HA LEU 31 HA LEU 31 -14.363 4.061 -12.531 244 HB2 LEU 31 HB2 LEU 31 -12.313 4.990 -11.366 245 HB3 LEU 31 HB3 LEU 31 -11.468 3.522 -11.847 246 HG LEU 31 HG LEU 31 -12.914 4.995 -14.028 247 HD11 LEU 31 HD11 LEU 31 -10.356 6.059 -12.763 248 HD12 LEU 31 HD12 LEU 31 -11.955 6.840 -12.731 249 HD13 LEU 31 HD13 LEU 31 -11.111 6.637 -14.264 250 HD21 LEU 31 HD21 LEU 31 -10.116 3.796 -13.821 251 HD22 LEU 31 HD22 LEU 31 -10.868 4.437 -15.294 252 HD23 LEU 31 HD23 LEU 31 -11.524 2.989 -14.519 253 H LEU 32 H LEU 32 -14.192 2.944 -14.484 254 HA LEU 32 HA LEU 32 -14.292 -0.022 -14.104 255 HB2 LEU 32 HB2 LEU 32 -16.598 0.457 -15.378 256 HB3 LEU 32 HB3 LEU 32 -16.422 0.495 -13.632 257 HG LEU 32 HG LEU 32 -16.242 3.005 -13.675 258 HD11 LEU 32 HD11 LEU 32 -16.948 2.674 -16.629 259 HD12 LEU 32 HD12 LEU 32 -15.458 3.402 -16.007 260 HD13 LEU 32 HD13 LEU 32 -17.009 4.200 -15.730 261 HD21 LEU 32 HD21 LEU 32 -18.335 1.853 -13.229 262 HD22 LEU 32 HD22 LEU 32 -18.703 1.816 -14.965 263 HD23 LEU 32 HD23 LEU 32 -18.605 3.368 -14.109 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 -0.116 -10.673 2.451 2 H2 GLY 1 H2 GLY 1 -0.189 -9.352 3.438 3 H3 GLY 1 H3 GLY 1 -0.786 -9.281 1.891 4 HA2 GLY 1 HA2 GLY 1 2.023 -9.515 2.704 5 HA3 GLY 1 HA3 GLY 1 1.440 -9.700 1.040 6 HA PRO 2 HA PRO 2 2.388 -5.300 1.393 7 HB2 PRO 2 HB2 PRO 2 3.222 -4.844 -1.138 8 HB3 PRO 2 HB3 PRO 2 4.167 -5.874 -0.016 9 HG2 PRO 2 HG2 PRO 2 2.154 -6.793 -2.086 10 HG3 PRO 2 HG3 PRO 2 3.843 -7.350 -1.887 11 HD2 PRO 2 HD2 PRO 2 1.751 -8.689 -0.783 12 HD3 PRO 2 HD3 PRO 2 3.313 -8.557 0.047 13 H TYR 3 H TYR 3 -0.232 -6.747 -0.293 14 HA TYR 3 HA TYR 3 -1.304 -4.652 -1.726 15 HB2 TYR 3 HB2 TYR 3 -2.600 -6.828 -0.161 16 HB3 TYR 3 HB3 TYR 3 -3.593 -5.585 -0.888 17 HD1 TYR 3 HD1 TYR 3 -1.822 -5.494 -3.609 18 HD2 TYR 3 HD2 TYR 3 -3.902 -8.467 -1.272 19 HE1 TYR 3 HE1 TYR 3 -2.292 -6.791 -5.667 20 HE2 TYR 3 HE2 TYR 3 -4.407 -9.721 -3.326 21 HH TYR 3 HH TYR 3 -4.148 -9.870 -5.573 22 H CYS 4 H CYS 4 -2.615 -2.937 -1.483 23 HA CYS 4 HA CYS 4 -3.303 -2.148 1.322 24 HB2 CYS 4 HB2 CYS 4 -3.318 0.227 0.298 25 HB3 CYS 4 HB3 CYS 4 -1.876 -0.543 0.901 26 H GLN 5 H GLN 5 -4.542 -1.431 -1.992 27 HA GLN 5 HA GLN 5 -7.224 -1.056 -1.005 28 HB2 GLN 5 HB2 GLN 5 -6.850 0.045 -2.928 29 HB3 GLN 5 HB3 GLN 5 -5.894 -1.218 -3.666 30 HG2 GLN 5 HG2 GLN 5 -8.876 -1.579 -3.255 31 HG3 GLN 5 HG3 GLN 5 -8.261 -0.619 -4.579 32 HE21 GLN 5 HE21 GLN 5 -6.112 -2.060 -5.593 33 HE22 GLN 5 HE22 GLN 5 -6.655 -3.637 -6.088 34 H LYS 6 H LYS 6 -5.828 -3.897 -2.750 35 HA LYS 6 HA LYS 6 -8.159 -5.491 -2.113 36 HB2 LYS 6 HB2 LYS 6 -6.876 -5.599 -4.245 37 HB3 LYS 6 HB3 LYS 6 -5.552 -6.373 -3.396 38 HG2 LYS 6 HG2 LYS 6 -6.667 -8.369 -3.187 39 HG3 LYS 6 HG3 LYS 6 -8.255 -7.633 -3.030 40 HD2 LYS 6 HD2 LYS 6 -6.859 -7.571 -5.729 41 HD3 LYS 6 HD3 LYS 6 -7.613 -9.041 -5.134 42 HE2 LYS 6 HE2 LYS 6 -9.362 -8.169 -6.312 43 HE3 LYS 6 HE3 LYS 6 -9.732 -7.628 -4.679 44 HZ1 LYS 6 HZ1 LYS 6 -8.730 -5.428 -5.352 45 HZ2 LYS 6 HZ2 LYS 6 -10.039 -5.855 -6.248 46 HZ3 LYS 6 HZ3 LYS 6 -8.566 -6.053 -6.890 47 H TRP 7 H TRP 7 -6.381 -4.461 0.129 48 HA TRP 7 HA TRP 7 -6.732 -6.898 1.763 49 HB2 TRP 7 HB2 TRP 7 -4.415 -6.882 1.049 50 HB3 TRP 7 HB3 TRP 7 -4.185 -5.274 1.735 51 HD1 TRP 7 HD1 TRP 7 -3.597 -5.185 4.294 52 HE1 TRP 7 HE1 TRP 7 -3.226 -6.905 6.140 53 HE3 TRP 7 HE3 TRP 7 -5.301 -9.323 1.831 54 HZ2 TRP 7 HZ2 TRP 7 -3.899 -9.710 6.598 55 HZ3 TRP 7 HZ3 TRP 7 -5.500 -11.500 3.019 56 HH2 TRP 7 HH2 TRP 7 -4.839 -11.688 5.407 57 H MET 8 H MET 8 -7.955 -4.106 1.246 58 HA MET 8 HA MET 8 -9.134 -2.598 2.373 59 HB2 MET 8 HB2 MET 8 -9.363 -4.897 4.333 60 HB3 MET 8 HB3 MET 8 -10.368 -3.441 4.374 61 HG2 MET 8 HG2 MET 8 -10.984 -3.868 1.964 62 HG3 MET 8 HG3 MET 8 -10.176 -5.431 2.083 63 HE1 MET 8 HE1 MET 8 -10.929 -7.379 3.576 64 HE2 MET 8 HE2 MET 8 -11.040 -6.442 5.078 65 HE3 MET 8 HE3 MET 8 -12.418 -7.428 4.542 66 H GLN 9 H GLN 9 -6.908 -1.658 2.466 67 HA GLN 9 HA GLN 9 -5.490 -0.960 4.706 68 HB2 GLN 9 HB2 GLN 9 -4.729 0.935 3.303 69 HB3 GLN 9 HB3 GLN 9 -4.774 -0.570 2.424 70 HG2 GLN 9 HG2 GLN 9 -6.873 0.016 1.302 71 HG3 GLN 9 HG3 GLN 9 -7.120 1.404 2.345 72 HE21 GLN 9 HE21 GLN 9 -4.136 2.193 2.008 73 HE22 GLN 9 HE22 GLN 9 -4.200 3.018 0.463 74 H THR 10 H THR 10 -8.029 -0.649 5.885 75 HA THR 10 HA THR 10 -9.036 0.791 7.424 76 HB THR 10 HB THR 10 -6.096 1.449 7.745 77 HG1 THR 10 HG1 THR 10 -6.122 -0.449 9.025 78 HG21 THR 10 HG21 THR 10 -7.911 0.803 10.044 79 HG22 THR 10 HG22 THR 10 -8.034 2.428 9.348 80 HG23 THR 10 HG23 THR 10 -6.485 1.859 9.953 81 H CYS 11 H CYS 11 -9.786 2.182 5.384 82 HA CYS 11 HA CYS 11 -8.004 4.255 4.696 83 HB2 CYS 11 HB2 CYS 11 -9.586 3.100 3.166 84 HB3 CYS 11 HB3 CYS 11 -10.869 4.174 3.745 85 H ASP 12 H ASP 12 -7.801 6.327 5.023 86 HA ASP 12 HA ASP 12 -9.618 7.839 6.801 87 HB2 ASP 12 HB2 ASP 12 -6.595 7.572 7.075 88 HB3 ASP 12 HB3 ASP 12 -7.543 8.836 7.838 89 H SER 13 H SER 13 -9.345 10.187 6.635 90 HA SER 13 HA SER 13 -9.158 11.206 3.996 91 HB2 SER 13 HB2 SER 13 -10.412 12.282 5.745 92 HB3 SER 13 HB3 SER 13 -8.960 12.548 6.710 93 HG SER 13 HG SER 13 -9.368 13.663 4.121 94 H GLU 14 H GLU 14 -6.546 10.511 6.159 95 HA GLU 14 HA GLU 14 -4.538 12.068 4.610 96 HB2 GLU 14 HB2 GLU 14 -3.048 11.496 6.408 97 HB3 GLU 14 HB3 GLU 14 -4.554 12.103 7.086 98 HG2 GLU 14 HG2 GLU 14 -5.261 9.717 7.512 99 HG3 GLU 14 HG3 GLU 14 -3.699 9.166 6.904 100 H ARG 15 H ARG 15 -5.965 9.004 4.309 101 HA ARG 15 HA ARG 15 -3.472 7.467 4.208 102 HB2 ARG 15 HB2 ARG 15 -5.987 6.918 5.052 103 HB3 ARG 15 HB3 ARG 15 -6.102 6.203 3.456 104 HG2 ARG 15 HG2 ARG 15 -3.772 5.623 5.355 105 HG3 ARG 15 HG3 ARG 15 -5.324 4.806 5.558 106 HD2 ARG 15 HD2 ARG 15 -5.201 3.640 3.560 107 HD3 ARG 15 HD3 ARG 15 -4.098 4.832 2.797 108 HE ARG 15 HE ARG 15 -2.262 3.799 3.739 109 HH11 ARG 15 HH11 ARG 15 -5.024 2.555 5.607 110 HH12 ARG 15 HH12 ARG 15 -3.902 1.906 6.798 111 HH21 ARG 15 HH21 ARG 15 -1.086 2.686 5.061 112 HH22 ARG 15 HH22 ARG 15 -1.802 1.761 6.373 113 H LYS 16 H LYS 16 -2.341 6.979 2.414 114 HA LYS 16 HA LYS 16 -3.073 7.773 -0.232 115 HB2 LYS 16 HB2 LYS 16 -1.038 5.703 0.681 116 HB3 LYS 16 HB3 LYS 16 -1.214 6.279 -0.973 117 HG2 LYS 16 HG2 LYS 16 -0.778 8.626 -0.180 118 HG3 LYS 16 HG3 LYS 16 -0.481 7.983 1.438 119 HD2 LYS 16 HD2 LYS 16 1.318 6.505 0.447 120 HD3 LYS 16 HD3 LYS 16 1.135 7.376 -1.083 121 HE2 LYS 16 HE2 LYS 16 1.743 8.714 1.588 122 HE3 LYS 16 HE3 LYS 16 3.011 8.145 0.501 123 HZ1 LYS 16 HZ1 LYS 16 2.455 9.724 -1.085 124 HZ2 LYS 16 HZ2 LYS 16 2.353 10.554 0.337 125 HZ3 LYS 16 HZ3 LYS 16 0.986 10.064 -0.472 126 H CYS 17 H CYS 17 -5.235 7.095 -0.436 127 HA CYS 17 HA CYS 17 -6.163 4.446 -0.445 128 HB2 CYS 17 HB2 CYS 17 -7.603 6.402 -0.405 129 HB3 CYS 17 HB3 CYS 17 -7.059 6.859 -2.011 130 H CYS 18 H CYS 18 -5.997 2.801 -1.786 131 HA CYS 18 HA CYS 18 -3.787 3.032 -3.680 132 HB2 CYS 18 HB2 CYS 18 -3.528 1.933 -1.629 133 HB3 CYS 18 HB3 CYS 18 -4.926 0.910 -1.892 134 H GLU 19 H GLU 19 -7.018 2.770 -4.184 135 HA GLU 19 HA GLU 19 -6.202 2.568 -7.019 136 HB2 GLU 19 HB2 GLU 19 -8.754 1.410 -5.885 137 HB3 GLU 19 HB3 GLU 19 -8.663 1.982 -7.560 138 HG2 GLU 19 HG2 GLU 19 -6.720 0.547 -8.000 139 HG3 GLU 19 HG3 GLU 19 -6.774 -0.077 -6.356 140 H GLY 20 H GLY 20 -7.278 4.492 -4.527 141 HA2 GLY 20 HA2 GLY 20 -7.336 6.776 -4.565 142 HA3 GLY 20 HA3 GLY 20 -7.397 6.766 -6.323 143 H MET 21 H MET 21 -9.892 5.063 -4.402 144 HA MET 21 HA MET 21 -11.761 7.304 -4.622 145 HB2 MET 21 HB2 MET 21 -13.355 6.010 -5.999 146 HB3 MET 21 HB3 MET 21 -11.879 6.465 -6.849 147 HG2 MET 21 HG2 MET 21 -11.054 4.069 -6.375 148 HG3 MET 21 HG3 MET 21 -12.686 3.738 -5.795 149 HE1 MET 21 HE1 MET 21 -10.310 4.229 -8.768 150 HE2 MET 21 HE2 MET 21 -11.371 4.581 -10.148 151 HE3 MET 21 HE3 MET 21 -11.130 5.805 -8.886 152 H VAL 22 H VAL 22 -13.661 7.108 -3.541 153 HA VAL 22 HA VAL 22 -14.984 6.620 -1.835 154 HB VAL 22 HB VAL 22 -15.169 3.789 -2.810 155 HG11 VAL 22 HG11 VAL 22 -17.198 5.839 -1.784 156 HG12 VAL 22 HG12 VAL 22 -17.578 4.200 -2.338 157 HG13 VAL 22 HG13 VAL 22 -16.596 4.422 -0.887 158 HG21 VAL 22 HG21 VAL 22 -16.812 4.702 -4.488 159 HG22 VAL 22 HG22 VAL 22 -16.191 6.323 -4.152 160 HG23 VAL 22 HG23 VAL 22 -15.124 5.076 -4.847 161 H CYS 23 H CYS 23 -13.092 7.043 -0.502 162 HA CYS 23 HA CYS 23 -11.875 4.917 1.034 163 HB2 CYS 23 HB2 CYS 23 -10.818 7.056 0.442 164 HB3 CYS 23 HB3 CYS 23 -12.031 7.925 1.383 165 H ARG 24 H ARG 24 -13.538 3.709 2.056 166 HA ARG 24 HA ARG 24 -14.583 4.900 4.581 167 HB2 ARG 24 HB2 ARG 24 -16.387 3.579 2.516 168 HB3 ARG 24 HB3 ARG 24 -16.757 3.651 4.229 169 HG2 ARG 24 HG2 ARG 24 -17.896 5.498 3.640 170 HG3 ARG 24 HG3 ARG 24 -16.329 6.274 3.945 171 HD2 ARG 24 HD2 ARG 24 -15.826 6.058 1.459 172 HD3 ARG 24 HD3 ARG 24 -17.400 5.285 1.252 173 HE ARG 24 HE ARG 24 -18.505 7.298 1.901 174 HH11 ARG 24 HH11 ARG 24 -15.035 7.880 2.186 175 HH12 ARG 24 HH12 ARG 24 -15.248 9.597 1.992 176 HH21 ARG 24 HH21 ARG 24 -18.666 9.441 1.551 177 HH22 ARG 24 HH22 ARG 24 -17.264 10.451 1.615 178 H LEU 25 H LEU 25 -13.371 3.717 5.894 179 HA LEU 25 HA LEU 25 -12.283 2.028 6.930 180 HB2 LEU 25 HB2 LEU 25 -14.345 0.139 5.774 181 HB3 LEU 25 HB3 LEU 25 -13.293 -0.174 7.141 182 HG LEU 25 HG LEU 25 -15.415 2.033 7.138 183 HD11 LEU 25 HD11 LEU 25 -16.460 -0.183 6.820 184 HD12 LEU 25 HD12 LEU 25 -16.801 0.484 8.431 185 HD13 LEU 25 HD13 LEU 25 -15.570 -0.778 8.239 186 HD21 LEU 25 HD21 LEU 25 -13.611 2.262 8.857 187 HD22 LEU 25 HD22 LEU 25 -13.952 0.611 9.408 188 HD23 LEU 25 HD23 LEU 25 -15.189 1.865 9.575 189 H TRP 26 H TRP 26 -12.875 1.473 3.528 190 HA TRP 26 HA TRP 26 -10.079 0.733 3.079 191 HB2 TRP 26 HB2 TRP 26 -10.989 -1.222 1.601 192 HB3 TRP 26 HB3 TRP 26 -10.779 -1.388 3.323 193 HD1 TRP 26 HD1 TRP 26 -12.764 -2.008 4.796 194 HE1 TRP 26 HE1 TRP 26 -15.248 -2.513 4.443 195 HE3 TRP 26 HE3 TRP 26 -13.252 -0.322 -0.011 196 HZ2 TRP 26 HZ2 TRP 26 -17.211 -2.167 2.378 197 HZ3 TRP 26 HZ3 TRP 26 -15.466 -0.362 -1.126 198 HH2 TRP 26 HH2 TRP 26 -17.454 -1.272 0.054 199 H CYS 27 H CYS 27 -10.169 0.145 0.457 200 HA CYS 27 HA CYS 27 -11.785 2.094 -1.037 201 HB2 CYS 27 HB2 CYS 27 -8.755 1.837 -1.290 202 HB3 CYS 27 HB3 CYS 27 -9.816 2.545 -2.512 203 H LYS 28 H LYS 28 -12.121 1.320 -3.226 204 HA LYS 28 HA LYS 28 -11.069 -1.238 -4.185 205 HB2 LYS 28 HB2 LYS 28 -13.994 -0.900 -3.358 206 HB3 LYS 28 HB3 LYS 28 -13.476 -2.112 -4.505 207 HG2 LYS 28 HG2 LYS 28 -12.740 -2.015 -1.571 208 HG3 LYS 28 HG3 LYS 28 -13.808 -3.144 -2.393 209 HD2 LYS 28 HD2 LYS 28 -11.773 -3.885 -3.771 210 HD3 LYS 28 HD3 LYS 28 -10.784 -2.923 -2.687 211 HE2 LYS 28 HE2 LYS 28 -10.637 -4.996 -1.696 212 HE3 LYS 28 HE3 LYS 28 -11.918 -4.222 -0.752 213 HZ1 LYS 28 HZ1 LYS 28 -13.545 -5.428 -2.179 214 HZ2 LYS 28 HZ2 LYS 28 -12.555 -6.470 -1.409 215 HZ3 LYS 28 HZ3 LYS 28 -12.318 -6.117 -3.009 216 H LYS 29 H LYS 29 -12.068 -1.787 -6.368 217 HA LYS 29 HA LYS 29 -12.186 0.420 -8.182 218 HB2 LYS 29 HB2 LYS 29 -13.187 -2.437 -8.430 219 HB3 LYS 29 HB3 LYS 29 -13.338 -1.249 -9.733 220 HG2 LYS 29 HG2 LYS 29 -10.863 -0.873 -9.596 221 HG3 LYS 29 HG3 LYS 29 -10.763 -2.266 -8.515 222 HD2 LYS 29 HD2 LYS 29 -11.793 -3.712 -10.252 223 HD3 LYS 29 HD3 LYS 29 -11.830 -2.333 -11.356 224 HE2 LYS 29 HE2 LYS 29 -9.362 -3.643 -10.132 225 HE3 LYS 29 HE3 LYS 29 -9.877 -3.725 -11.827 226 HZ1 LYS 29 HZ1 LYS 29 -9.662 -1.208 -11.784 227 HZ2 LYS 29 HZ2 LYS 29 -8.239 -2.024 -11.701 228 HZ3 LYS 29 HZ3 LYS 29 -8.880 -1.402 -10.323 229 H LYS 30 H LYS 30 -13.625 1.909 -8.372 230 HA LYS 30 HA LYS 30 -16.532 1.351 -8.165 231 HB2 LYS 30 HB2 LYS 30 -14.919 2.540 -6.046 232 HB3 LYS 30 HB3 LYS 30 -16.067 3.733 -6.623 233 HG2 LYS 30 HG2 LYS 30 -16.869 0.881 -5.891 234 HG3 LYS 30 HG3 LYS 30 -16.841 2.202 -4.720 235 HD2 LYS 30 HD2 LYS 30 -18.478 3.469 -5.915 236 HD3 LYS 30 HD3 LYS 30 -18.422 2.413 -7.315 237 HE2 LYS 30 HE2 LYS 30 -19.461 1.600 -4.569 238 HE3 LYS 30 HE3 LYS 30 -20.449 2.097 -5.949 239 HZ1 LYS 30 HZ1 LYS 30 -20.410 -0.243 -6.000 240 HZ2 LYS 30 HZ2 LYS 30 -18.803 -0.356 -5.760 241 HZ3 LYS 30 HZ3 LYS 30 -19.388 0.230 -7.187 242 H LEU 31 H LEU 31 -14.366 2.464 -10.138 243 HA LEU 31 HA LEU 31 -15.990 4.735 -11.140 244 HB2 LEU 31 HB2 LEU 31 -13.635 5.132 -10.891 245 HB3 LEU 31 HB3 LEU 31 -13.215 3.731 -11.872 246 HG LEU 31 HG LEU 31 -14.941 5.905 -13.085 247 HD11 LEU 31 HD11 LEU 31 -12.915 7.068 -13.791 248 HD12 LEU 31 HD12 LEU 31 -11.923 6.004 -12.775 249 HD13 LEU 31 HD13 LEU 31 -13.093 7.108 -12.020 250 HD21 LEU 31 HD21 LEU 31 -14.451 3.853 -14.444 251 HD22 LEU 31 HD22 LEU 31 -12.728 4.128 -14.188 252 HD23 LEU 31 HD23 LEU 31 -13.696 5.289 -15.130 253 H LEU 32 H LEU 32 -17.117 4.646 -13.003 254 HA LEU 32 HA LEU 32 -17.467 1.929 -14.269 255 HB2 LEU 32 HB2 LEU 32 -19.277 4.394 -13.945 256 HB3 LEU 32 HB3 LEU 32 -19.739 2.927 -14.818 257 HG LEU 32 HG LEU 32 -18.989 3.012 -11.835 258 HD11 LEU 32 HD11 LEU 32 -21.723 2.820 -13.172 259 HD12 LEU 32 HD12 LEU 32 -21.074 4.241 -12.325 260 HD13 LEU 32 HD13 LEU 32 -21.396 2.754 -11.427 261 HD21 LEU 32 HD21 LEU 32 -20.161 0.774 -13.566 262 HD22 LEU 32 HD22 LEU 32 -20.070 0.746 -11.794 263 HD23 LEU 32 HD23 LEU 32 -18.583 0.765 -12.740 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 1.860 0.237 -3.463 2 H2 GLY 1 H2 GLY 1 2.901 0.956 -2.403 3 H3 GLY 1 H3 GLY 1 3.331 -0.440 -3.159 4 HA2 GLY 1 HA2 GLY 1 2.775 -0.980 -0.941 5 HA3 GLY 1 HA3 GLY 1 1.246 -0.091 -1.118 6 HA PRO 2 HA PRO 2 1.301 -4.132 -3.811 7 HB2 PRO 2 HB2 PRO 2 2.089 -6.388 -2.425 8 HB3 PRO 2 HB3 PRO 2 3.186 -5.347 -3.384 9 HG2 PRO 2 HG2 PRO 2 2.667 -5.255 -0.394 10 HG3 PRO 2 HG3 PRO 2 4.245 -5.278 -1.241 11 HD2 PRO 2 HD2 PRO 2 3.175 -2.955 -0.394 12 HD3 PRO 2 HD3 PRO 2 3.961 -3.042 -2.002 13 H TYR 3 H TYR 3 0.106 -3.802 -0.533 14 HA TYR 3 HA TYR 3 -2.412 -4.932 -1.480 15 HB2 TYR 3 HB2 TYR 3 -2.719 -6.219 0.710 16 HB3 TYR 3 HB3 TYR 3 -1.860 -6.886 -0.659 17 HD1 TYR 3 HD1 TYR 3 0.489 -7.384 -0.618 18 HD2 TYR 3 HD2 TYR 3 -1.433 -5.448 2.725 19 HE1 TYR 3 HE1 TYR 3 2.491 -7.824 0.791 20 HE2 TYR 3 HE2 TYR 3 0.572 -5.889 4.127 21 HH TYR 3 HH TYR 3 3.546 -7.236 2.812 22 H CYS 4 H CYS 4 -2.888 -2.733 -1.652 23 HA CYS 4 HA CYS 4 -4.465 -2.033 0.768 24 HB2 CYS 4 HB2 CYS 4 -4.108 0.365 0.210 25 HB3 CYS 4 HB3 CYS 4 -2.718 -0.500 0.827 26 H GLN 5 H GLN 5 -4.625 -2.622 -2.649 27 HA GLN 5 HA GLN 5 -7.424 -1.618 -2.733 28 HB2 GLN 5 HB2 GLN 5 -5.799 -1.497 -4.709 29 HB3 GLN 5 HB3 GLN 5 -5.911 -3.254 -4.797 30 HG2 GLN 5 HG2 GLN 5 -8.586 -2.569 -4.766 31 HG3 GLN 5 HG3 GLN 5 -7.911 -1.150 -5.539 32 HE21 GLN 5 HE21 GLN 5 -5.979 -2.042 -7.302 33 HE22 GLN 5 HE22 GLN 5 -6.603 -3.326 -8.307 34 H LYS 6 H LYS 6 -5.631 -4.693 -2.815 35 HA LYS 6 HA LYS 6 -8.045 -6.330 -2.613 36 HB2 LYS 6 HB2 LYS 6 -5.778 -6.680 -3.992 37 HB3 LYS 6 HB3 LYS 6 -5.216 -7.384 -2.479 38 HG2 LYS 6 HG2 LYS 6 -7.558 -8.728 -2.692 39 HG3 LYS 6 HG3 LYS 6 -7.397 -8.254 -4.378 40 HD2 LYS 6 HD2 LYS 6 -6.249 -10.197 -4.557 41 HD3 LYS 6 HD3 LYS 6 -4.888 -9.268 -3.957 42 HE2 LYS 6 HE2 LYS 6 -6.815 -11.023 -2.367 43 HE3 LYS 6 HE3 LYS 6 -5.150 -11.420 -2.767 44 HZ1 LYS 6 HZ1 LYS 6 -5.386 -10.667 -0.499 45 HZ2 LYS 6 HZ2 LYS 6 -6.028 -9.233 -0.955 46 HZ3 LYS 6 HZ3 LYS 6 -4.456 -9.568 -1.329 47 H TRP 7 H TRP 7 -7.335 -4.601 -0.287 48 HA TRP 7 HA TRP 7 -7.605 -6.473 1.891 49 HB2 TRP 7 HB2 TRP 7 -5.022 -6.255 1.202 50 HB3 TRP 7 HB3 TRP 7 -5.131 -4.731 2.056 51 HD1 TRP 7 HD1 TRP 7 -6.571 -8.216 3.014 52 HE1 TRP 7 HE1 TRP 7 -5.552 -9.008 5.209 53 HE3 TRP 7 HE3 TRP 7 -3.387 -4.293 3.862 54 HZ2 TRP 7 HZ2 TRP 7 -3.390 -8.199 6.945 55 HZ3 TRP 7 HZ3 TRP 7 -1.753 -4.399 5.740 56 HH2 TRP 7 HH2 TRP 7 -1.712 -6.357 7.256 57 H MET 8 H MET 8 -8.035 -5.256 3.929 58 HA MET 8 HA MET 8 -9.437 -2.790 3.286 59 HB2 MET 8 HB2 MET 8 -9.370 -4.235 5.949 60 HB3 MET 8 HB3 MET 8 -10.489 -2.958 5.433 61 HG2 MET 8 HG2 MET 8 -11.030 -4.519 3.425 62 HG3 MET 8 HG3 MET 8 -10.197 -5.761 4.359 63 HE1 MET 8 HE1 MET 8 -12.677 -6.731 3.448 64 HE2 MET 8 HE2 MET 8 -11.700 -7.479 4.728 65 HE3 MET 8 HE3 MET 8 -13.455 -7.325 4.935 66 H GLN 9 H GLN 9 -7.649 -1.594 2.775 67 HA GLN 9 HA GLN 9 -5.472 -0.905 4.277 68 HB2 GLN 9 HB2 GLN 9 -5.124 0.758 2.547 69 HB3 GLN 9 HB3 GLN 9 -5.824 -0.692 1.859 70 HG2 GLN 9 HG2 GLN 9 -7.683 0.389 1.125 71 HG3 GLN 9 HG3 GLN 9 -7.967 1.169 2.669 72 HE21 GLN 9 HE21 GLN 9 -6.165 2.974 3.167 73 HE22 GLN 9 HE22 GLN 9 -5.852 4.034 1.776 74 H THR 10 H THR 10 -8.191 -0.055 5.712 75 HA THR 10 HA THR 10 -9.018 1.613 6.997 76 HB THR 10 HB THR 10 -6.167 2.102 7.862 77 HG1 THR 10 HG1 THR 10 -6.087 0.013 7.938 78 HG21 THR 10 HG21 THR 10 -8.821 1.775 9.338 79 HG22 THR 10 HG22 THR 10 -8.054 3.332 8.971 80 HG23 THR 10 HG23 THR 10 -7.244 2.189 10.050 81 H CYS 11 H CYS 11 -9.824 3.115 5.563 82 HA CYS 11 HA CYS 11 -8.295 5.181 4.320 83 HB2 CYS 11 HB2 CYS 11 -11.276 4.823 4.673 84 HB3 CYS 11 HB3 CYS 11 -10.529 5.966 3.572 85 H ASP 12 H ASP 12 -7.617 5.552 6.901 86 HA ASP 12 HA ASP 12 -8.994 7.657 8.250 87 HB2 ASP 12 HB2 ASP 12 -6.113 6.693 8.313 88 HB3 ASP 12 HB3 ASP 12 -6.730 8.000 9.331 89 H SER 13 H SER 13 -8.768 9.842 8.321 90 HA SER 13 HA SER 13 -8.488 11.139 5.884 91 HB2 SER 13 HB2 SER 13 -9.750 11.946 7.864 92 HB3 SER 13 HB3 SER 13 -8.228 12.410 8.630 93 HG SER 13 HG SER 13 -7.948 13.614 6.478 94 H GLU 14 H GLU 14 -5.776 10.161 7.672 95 HA GLU 14 HA GLU 14 -3.943 12.190 6.463 96 HB2 GLU 14 HB2 GLU 14 -3.624 10.000 8.504 97 HB3 GLU 14 HB3 GLU 14 -2.236 10.873 7.865 98 HG2 GLU 14 HG2 GLU 14 -2.981 12.972 8.739 99 HG3 GLU 14 HG3 GLU 14 -4.543 12.303 9.208 100 H ARG 15 H ARG 15 -5.384 9.428 5.350 101 HA ARG 15 HA ARG 15 -2.888 8.309 4.174 102 HB2 ARG 15 HB2 ARG 15 -4.726 7.017 5.757 103 HB3 ARG 15 HB3 ARG 15 -5.398 6.693 4.160 104 HG2 ARG 15 HG2 ARG 15 -2.774 6.075 3.654 105 HG3 ARG 15 HG3 ARG 15 -2.781 5.856 5.407 106 HD2 ARG 15 HD2 ARG 15 -5.051 4.495 4.802 107 HD3 ARG 15 HD3 ARG 15 -4.224 4.390 3.212 108 HE ARG 15 HE ARG 15 -2.476 3.104 4.207 109 HH11 ARG 15 HH11 ARG 15 -4.930 3.906 6.608 110 HH12 ARG 15 HH12 ARG 15 -3.972 3.281 7.918 111 HH21 ARG 15 HH21 ARG 15 -1.629 1.910 5.721 112 HH22 ARG 15 HH22 ARG 15 -2.353 1.821 7.339 113 H LYS 16 H LYS 16 -2.774 7.611 2.156 114 HA LYS 16 HA LYS 16 -4.443 8.594 -0.014 115 HB2 LYS 16 HB2 LYS 16 -2.257 6.489 0.216 116 HB3 LYS 16 HB3 LYS 16 -3.018 6.916 -1.311 117 HG2 LYS 16 HG2 LYS 16 -2.205 9.148 -1.253 118 HG3 LYS 16 HG3 LYS 16 -1.725 9.058 0.432 119 HD2 LYS 16 HD2 LYS 16 0.229 7.975 0.038 120 HD3 LYS 16 HD3 LYS 16 -0.401 7.022 -1.304 121 HE2 LYS 16 HE2 LYS 16 0.130 10.007 -1.502 122 HE3 LYS 16 HE3 LYS 16 1.340 8.775 -1.922 123 HZ1 LYS 16 HZ1 LYS 16 -0.238 7.873 -3.515 124 HZ2 LYS 16 HZ2 LYS 16 0.067 9.428 -3.906 125 HZ3 LYS 16 HZ3 LYS 16 -1.346 9.008 -3.189 126 H CYS 17 H CYS 17 -6.011 7.527 -1.195 127 HA CYS 17 HA CYS 17 -6.811 4.766 -0.451 128 HB2 CYS 17 HB2 CYS 17 -8.629 6.072 -1.295 129 HB3 CYS 17 HB3 CYS 17 -7.671 6.625 -2.667 130 H CYS 18 H CYS 18 -5.950 2.997 -1.415 131 HA CYS 18 HA CYS 18 -3.520 2.852 -2.589 132 HB2 CYS 18 HB2 CYS 18 -5.159 1.063 -1.687 133 HB3 CYS 18 HB3 CYS 18 -5.727 0.923 -3.342 134 H GLU 19 H GLU 19 -6.558 2.928 -4.550 135 HA GLU 19 HA GLU 19 -4.906 3.524 -6.995 136 HB2 GLU 19 HB2 GLU 19 -7.608 2.225 -7.003 137 HB3 GLU 19 HB3 GLU 19 -6.479 2.341 -8.336 138 HG2 GLU 19 HG2 GLU 19 -6.081 0.628 -5.845 139 HG3 GLU 19 HG3 GLU 19 -6.867 0.100 -7.318 140 H GLY 20 H GLY 20 -6.498 5.366 -4.923 141 HA2 GLY 20 HA2 GLY 20 -7.660 7.351 -5.082 142 HA3 GLY 20 HA3 GLY 20 -7.482 7.290 -6.835 143 H MET 21 H MET 21 -9.059 4.572 -5.459 144 HA MET 21 HA MET 21 -11.694 5.109 -6.559 145 HB2 MET 21 HB2 MET 21 -10.855 2.979 -4.558 146 HB3 MET 21 HB3 MET 21 -12.301 2.970 -5.549 147 HG2 MET 21 HG2 MET 21 -9.497 2.940 -6.685 148 HG3 MET 21 HG3 MET 21 -10.356 1.473 -6.253 149 HE1 MET 21 HE1 MET 21 -9.275 1.344 -8.999 150 HE2 MET 21 HE2 MET 21 -10.079 2.251 -10.303 151 HE3 MET 21 HE3 MET 21 -9.104 3.113 -9.099 152 H VAL 22 H VAL 22 -13.619 4.678 -4.903 153 HA VAL 22 HA VAL 22 -13.719 6.713 -2.841 154 HB VAL 22 HB VAL 22 -15.554 4.375 -3.495 155 HG11 VAL 22 HG11 VAL 22 -17.264 5.599 -2.183 156 HG12 VAL 22 HG12 VAL 22 -15.949 5.016 -1.165 157 HG13 VAL 22 HG13 VAL 22 -16.017 6.737 -1.626 158 HG21 VAL 22 HG21 VAL 22 -15.428 6.093 -5.288 159 HG22 VAL 22 HG22 VAL 22 -17.001 6.136 -4.481 160 HG23 VAL 22 HG23 VAL 22 -15.778 7.354 -4.096 161 H CYS 23 H CYS 23 -13.219 6.573 -0.709 162 HA CYS 23 HA CYS 23 -12.173 3.972 0.314 163 HB2 CYS 23 HB2 CYS 23 -10.659 5.950 -0.553 164 HB3 CYS 23 HB3 CYS 23 -11.011 6.661 1.000 165 H ARG 24 H ARG 24 -13.407 3.276 1.957 166 HA ARG 24 HA ARG 24 -13.572 4.914 4.411 167 HB2 ARG 24 HB2 ARG 24 -16.059 3.742 3.127 168 HB3 ARG 24 HB3 ARG 24 -15.907 4.070 4.827 169 HG2 ARG 24 HG2 ARG 24 -16.924 6.006 4.358 170 HG3 ARG 24 HG3 ARG 24 -15.260 6.530 4.088 171 HD2 ARG 24 HD2 ARG 24 -16.715 7.242 2.249 172 HD3 ARG 24 HD3 ARG 24 -15.580 6.042 1.621 173 HE ARG 24 HE ARG 24 -17.610 4.432 2.323 174 HH11 ARG 24 HH11 ARG 24 -17.683 7.398 0.355 175 HH12 ARG 24 HH12 ARG 24 -18.989 6.709 -0.602 176 HH21 ARG 24 HH21 ARG 24 -19.129 3.725 0.919 177 HH22 ARG 24 HH22 ARG 24 -19.709 4.818 -0.354 178 H LEU 25 H LEU 25 -12.518 3.615 5.773 179 HA LEU 25 HA LEU 25 -11.384 1.849 6.618 180 HB2 LEU 25 HB2 LEU 25 -13.937 0.290 6.167 181 HB3 LEU 25 HB3 LEU 25 -12.629 -0.142 7.259 182 HG LEU 25 HG LEU 25 -14.385 2.337 7.517 183 HD11 LEU 25 HD11 LEU 25 -15.616 0.253 7.934 184 HD12 LEU 25 HD12 LEU 25 -15.409 1.210 9.409 185 HD13 LEU 25 HD13 LEU 25 -14.395 -0.221 9.137 186 HD21 LEU 25 HD21 LEU 25 -13.404 2.511 9.791 187 HD22 LEU 25 HD22 LEU 25 -12.179 2.723 8.541 188 HD23 LEU 25 HD23 LEU 25 -12.294 1.176 9.413 189 H TRP 26 H TRP 26 -12.765 1.102 3.485 190 HA TRP 26 HA TRP 26 -10.292 -0.243 2.623 191 HB2 TRP 26 HB2 TRP 26 -11.920 -1.868 1.385 192 HB3 TRP 26 HB3 TRP 26 -11.495 -2.144 3.058 193 HD1 TRP 26 HD1 TRP 26 -13.312 -2.083 4.871 194 HE1 TRP 26 HE1 TRP 26 -15.856 -1.731 4.944 195 HE3 TRP 26 HE3 TRP 26 -14.053 -0.519 0.061 196 HZ2 TRP 26 HZ2 TRP 26 -17.945 -1.018 3.115 197 HZ3 TRP 26 HZ3 TRP 26 -16.350 -0.041 -0.768 198 HH2 TRP 26 HH2 TRP 26 -18.307 -0.327 0.738 199 H CYS 27 H CYS 27 -10.088 -0.318 0.242 200 HA CYS 27 HA CYS 27 -11.675 1.807 -1.104 201 HB2 CYS 27 HB2 CYS 27 -9.256 2.409 -0.216 202 HB3 CYS 27 HB3 CYS 27 -8.758 1.636 -1.723 203 H LYS 28 H LYS 28 -12.808 -0.147 -1.631 204 HA LYS 28 HA LYS 28 -11.820 -2.405 -2.887 205 HB2 LYS 28 HB2 LYS 28 -14.012 -2.152 -1.723 206 HB3 LYS 28 HB3 LYS 28 -14.637 -1.255 -3.100 207 HG2 LYS 28 HG2 LYS 28 -14.053 -3.429 -4.481 208 HG3 LYS 28 HG3 LYS 28 -13.887 -4.170 -2.886 209 HD2 LYS 28 HD2 LYS 28 -16.260 -3.289 -2.387 210 HD3 LYS 28 HD3 LYS 28 -16.353 -2.852 -4.092 211 HE2 LYS 28 HE2 LYS 28 -17.473 -4.944 -3.836 212 HE3 LYS 28 HE3 LYS 28 -15.964 -5.276 -4.693 213 HZ1 LYS 28 HZ1 LYS 28 -16.322 -5.629 -1.762 214 HZ2 LYS 28 HZ2 LYS 28 -15.023 -6.124 -2.685 215 HZ3 LYS 28 HZ3 LYS 28 -16.484 -6.848 -2.837 216 H LYS 29 H LYS 29 -14.083 -0.523 -4.797 217 HA LYS 29 HA LYS 29 -12.411 0.541 -6.762 218 HB2 LYS 29 HB2 LYS 29 -13.150 -2.271 -7.289 219 HB3 LYS 29 HB3 LYS 29 -13.709 -1.196 -8.565 220 HG2 LYS 29 HG2 LYS 29 -11.558 -0.497 -9.166 221 HG3 LYS 29 HG3 LYS 29 -10.858 -0.890 -7.598 222 HD2 LYS 29 HD2 LYS 29 -10.063 -2.500 -9.242 223 HD3 LYS 29 HD3 LYS 29 -11.072 -3.277 -8.024 224 HE2 LYS 29 HE2 LYS 29 -11.840 -4.255 -9.991 225 HE3 LYS 29 HE3 LYS 29 -13.037 -3.001 -9.686 226 HZ1 LYS 29 HZ1 LYS 29 -10.863 -3.020 -11.684 227 HZ2 LYS 29 HZ2 LYS 29 -11.630 -1.599 -11.301 228 HZ3 LYS 29 HZ3 LYS 29 -12.496 -2.854 -11.909 229 H LYS 30 H LYS 30 -13.579 2.095 -7.827 230 HA LYS 30 HA LYS 30 -16.415 1.943 -8.330 231 HB2 LYS 30 HB2 LYS 30 -16.424 2.240 -5.830 232 HB3 LYS 30 HB3 LYS 30 -15.630 3.787 -6.026 233 HG2 LYS 30 HG2 LYS 30 -17.551 4.815 -6.864 234 HG3 LYS 30 HG3 LYS 30 -18.200 3.329 -7.543 235 HD2 LYS 30 HD2 LYS 30 -18.102 4.023 -4.576 236 HD3 LYS 30 HD3 LYS 30 -19.499 4.235 -5.623 237 HE2 LYS 30 HE2 LYS 30 -18.197 1.587 -4.859 238 HE3 LYS 30 HE3 LYS 30 -19.741 2.233 -4.278 239 HZ1 LYS 30 HZ1 LYS 30 -20.492 2.155 -6.661 240 HZ2 LYS 30 HZ2 LYS 30 -20.206 0.679 -6.017 241 HZ3 LYS 30 HZ3 LYS 30 -19.139 1.339 -7.058 242 H LEU 31 H LEU 31 -14.313 2.547 -10.092 243 HA LEU 31 HA LEU 31 -14.644 5.454 -10.599 244 HB2 LEU 31 HB2 LEU 31 -12.731 5.054 -9.029 245 HB3 LEU 31 HB3 LEU 31 -11.972 4.082 -10.299 246 HG LEU 31 HG LEU 31 -11.652 6.016 -11.709 247 HD11 LEU 31 HD11 LEU 31 -13.590 7.432 -11.248 248 HD12 LEU 31 HD12 LEU 31 -12.139 8.299 -10.732 249 HD13 LEU 31 HD13 LEU 31 -13.159 7.526 -9.526 250 HD21 LEU 31 HD21 LEU 31 -10.073 7.204 -10.308 251 HD22 LEU 31 HD22 LEU 31 -10.051 5.492 -9.838 252 HD23 LEU 31 HD23 LEU 31 -10.904 6.677 -8.830 253 H LEU 32 H LEU 32 -14.172 6.199 -12.622 254 HA LEU 32 HA LEU 32 -13.631 4.248 -14.796 255 HB2 LEU 32 HB2 LEU 32 -15.507 5.334 -16.041 256 HB3 LEU 32 HB3 LEU 32 -16.006 4.282 -14.725 257 HG LEU 32 HG LEU 32 -15.796 7.256 -14.112 258 HD11 LEU 32 HD11 LEU 32 -16.971 7.210 -16.260 259 HD12 LEU 32 HD12 LEU 32 -18.106 7.572 -14.956 260 HD13 LEU 32 HD13 LEU 32 -18.065 5.943 -15.665 261 HD21 LEU 32 HD21 LEU 32 -17.808 5.119 -13.291 262 HD22 LEU 32 HD22 LEU 32 -17.753 6.800 -12.716 263 HD23 LEU 32 HD23 LEU 32 -16.468 5.678 -12.283 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 3.605 -7.079 -7.347 2 H2 GLY 1 H2 GLY 1 4.197 -7.210 -5.810 3 H3 GLY 1 H3 GLY 1 2.722 -7.831 -6.168 4 HA2 GLY 1 HA2 GLY 1 3.452 -4.988 -6.275 5 HA3 GLY 1 HA3 GLY 1 1.842 -5.639 -6.623 6 HA PRO 2 HA PRO 2 2.433 -4.992 -1.880 7 HB2 PRO 2 HB2 PRO 2 1.979 -2.319 -1.520 8 HB3 PRO 2 HB3 PRO 2 3.616 -3.001 -1.757 9 HG2 PRO 2 HG2 PRO 2 1.803 -1.748 -3.850 10 HG3 PRO 2 HG3 PRO 2 3.533 -1.392 -3.530 11 HD2 PRO 2 HD2 PRO 2 2.768 -3.097 -5.494 12 HD3 PRO 2 HD3 PRO 2 4.238 -3.405 -4.520 13 H TYR 3 H TYR 3 0.529 -4.404 -0.536 14 HA TYR 3 HA TYR 3 -1.953 -4.375 -2.127 15 HB2 TYR 3 HB2 TYR 3 -2.924 -5.894 -0.332 16 HB3 TYR 3 HB3 TYR 3 -1.969 -6.503 -1.658 17 HD1 TYR 3 HD1 TYR 3 -1.331 -5.219 1.855 18 HD2 TYR 3 HD2 TYR 3 -0.447 -8.183 -1.160 19 HE1 TYR 3 HE1 TYR 3 0.158 -6.405 3.451 20 HE2 TYR 3 HE2 TYR 3 1.034 -9.372 0.461 21 HH TYR 3 HH TYR 3 1.565 -8.166 3.790 22 H CYS 4 H CYS 4 -3.599 -3.160 -1.796 23 HA CYS 4 HA CYS 4 -4.278 -2.364 0.893 24 HB2 CYS 4 HB2 CYS 4 -4.474 0.156 0.008 25 HB3 CYS 4 HB3 CYS 4 -3.125 -0.475 0.909 26 H GLN 5 H GLN 5 -5.111 -1.440 -2.517 27 HA GLN 5 HA GLN 5 -7.798 -0.936 -1.923 28 HB2 GLN 5 HB2 GLN 5 -7.479 -0.023 -3.881 29 HB3 GLN 5 HB3 GLN 5 -6.099 -1.018 -4.251 30 HG2 GLN 5 HG2 GLN 5 -8.964 -1.908 -4.758 31 HG3 GLN 5 HG3 GLN 5 -7.973 -1.024 -5.915 32 HE21 GLN 5 HE21 GLN 5 -5.457 -2.192 -5.889 33 HE22 GLN 5 HE22 GLN 5 -5.639 -3.905 -6.248 34 H LYS 6 H LYS 6 -6.415 -4.037 -2.964 35 HA LYS 6 HA LYS 6 -8.913 -5.498 -2.768 36 HB2 LYS 6 HB2 LYS 6 -6.764 -6.027 -4.131 37 HB3 LYS 6 HB3 LYS 6 -6.094 -6.631 -2.607 38 HG2 LYS 6 HG2 LYS 6 -8.121 -8.196 -2.482 39 HG3 LYS 6 HG3 LYS 6 -8.566 -7.622 -4.092 40 HD2 LYS 6 HD2 LYS 6 -6.268 -8.414 -4.893 41 HD3 LYS 6 HD3 LYS 6 -6.027 -9.093 -3.279 42 HE2 LYS 6 HE2 LYS 6 -8.361 -10.226 -3.672 43 HE3 LYS 6 HE3 LYS 6 -8.098 -9.851 -5.377 44 HZ1 LYS 6 HZ1 LYS 6 -6.338 -11.502 -3.640 45 HZ2 LYS 6 HZ2 LYS 6 -5.991 -11.176 -5.201 46 HZ3 LYS 6 HZ3 LYS 6 -7.329 -12.046 -4.841 47 H TRP 7 H TRP 7 -6.782 -4.347 -0.367 48 HA TRP 7 HA TRP 7 -7.527 -6.433 1.620 49 HB2 TRP 7 HB2 TRP 7 -5.408 -7.048 0.678 50 HB3 TRP 7 HB3 TRP 7 -4.785 -5.422 0.899 51 HD1 TRP 7 HD1 TRP 7 -3.780 -4.788 3.210 52 HE1 TRP 7 HE1 TRP 7 -3.466 -5.919 5.477 53 HE3 TRP 7 HE3 TRP 7 -6.409 -9.077 2.318 54 HZ2 TRP 7 HZ2 TRP 7 -4.129 -8.454 6.705 55 HZ3 TRP 7 HZ3 TRP 7 -6.626 -10.790 4.107 56 HH2 TRP 7 HH2 TRP 7 -5.505 -10.499 6.276 57 H MET 8 H MET 8 -9.095 -4.618 1.930 58 HA MET 8 HA MET 8 -9.941 -3.216 3.590 59 HB2 MET 8 HB2 MET 8 -8.296 -5.358 4.952 60 HB3 MET 8 HB3 MET 8 -9.621 -4.453 5.706 61 HG2 MET 8 HG2 MET 8 -11.219 -5.283 4.103 62 HG3 MET 8 HG3 MET 8 -9.963 -6.118 3.188 63 HE1 MET 8 HE1 MET 8 -12.798 -7.283 4.517 64 HE2 MET 8 HE2 MET 8 -11.769 -8.071 3.302 65 HE3 MET 8 HE3 MET 8 -12.203 -8.929 4.802 66 H GLN 9 H GLN 9 -7.854 -1.728 2.682 67 HA GLN 9 HA GLN 9 -5.723 -1.430 4.368 68 HB2 GLN 9 HB2 GLN 9 -4.940 0.194 2.743 69 HB3 GLN 9 HB3 GLN 9 -5.728 -1.149 1.978 70 HG2 GLN 9 HG2 GLN 9 -7.371 0.137 1.042 71 HG3 GLN 9 HG3 GLN 9 -7.646 1.039 2.526 72 HE21 GLN 9 HE21 GLN 9 -5.432 2.470 3.063 73 HE22 GLN 9 HE22 GLN 9 -5.014 3.484 1.668 74 H THR 10 H THR 10 -8.181 -0.344 5.888 75 HA THR 10 HA THR 10 -8.707 1.452 7.232 76 HB THR 10 HB THR 10 -5.733 1.947 7.472 77 HG1 THR 10 HG1 THR 10 -7.300 -0.217 8.342 78 HG21 THR 10 HG21 THR 10 -7.569 3.253 8.837 79 HG22 THR 10 HG22 THR 10 -6.180 2.564 9.659 80 HG23 THR 10 HG23 THR 10 -7.751 1.731 9.731 81 H CYS 11 H CYS 11 -9.123 2.279 4.709 82 HA CYS 11 HA CYS 11 -7.636 4.714 4.107 83 HB2 CYS 11 HB2 CYS 11 -8.895 3.081 2.505 84 HB3 CYS 11 HB3 CYS 11 -10.304 4.082 2.885 85 H ASP 12 H ASP 12 -7.999 6.718 4.905 86 HA ASP 12 HA ASP 12 -10.226 7.288 6.780 87 HB2 ASP 12 HB2 ASP 12 -8.623 5.513 7.732 88 HB3 ASP 12 HB3 ASP 12 -7.336 6.716 7.638 89 H SER 13 H SER 13 -9.575 9.390 7.937 90 HA SER 13 HA SER 13 -9.735 11.437 6.305 91 HB2 SER 13 HB2 SER 13 -9.931 11.696 8.658 92 HB3 SER 13 HB3 SER 13 -8.205 11.426 8.916 93 HG SER 13 HG SER 13 -7.812 13.426 8.482 94 H GLU 14 H GLU 14 -6.404 10.652 7.388 95 HA GLU 14 HA GLU 14 -5.266 12.455 5.312 96 HB2 GLU 14 HB2 GLU 14 -4.524 12.698 7.581 97 HB3 GLU 14 HB3 GLU 14 -4.214 10.974 7.744 98 HG2 GLU 14 HG2 GLU 14 -2.281 11.064 6.361 99 HG3 GLU 14 HG3 GLU 14 -2.678 12.675 5.761 100 H ARG 15 H ARG 15 -5.892 9.054 5.645 101 HA ARG 15 HA ARG 15 -3.209 8.296 4.691 102 HB2 ARG 15 HB2 ARG 15 -4.199 7.256 6.690 103 HB3 ARG 15 HB3 ARG 15 -5.463 6.516 5.708 104 HG2 ARG 15 HG2 ARG 15 -2.572 6.084 4.874 105 HG3 ARG 15 HG3 ARG 15 -3.124 5.297 6.355 106 HD2 ARG 15 HD2 ARG 15 -4.988 4.220 5.168 107 HD3 ARG 15 HD3 ARG 15 -4.537 5.058 3.647 108 HE ARG 15 HE ARG 15 -2.664 3.648 3.416 109 HH11 ARG 15 HH11 ARG 15 -3.860 3.278 6.766 110 HH12 ARG 15 HH12 ARG 15 -2.786 1.910 6.961 111 HH21 ARG 15 HH21 ARG 15 -1.312 2.006 3.982 112 HH22 ARG 15 HH22 ARG 15 -1.481 1.271 5.575 113 H LYS 16 H LYS 16 -2.704 7.811 2.766 114 HA LYS 16 HA LYS 16 -4.155 8.302 0.538 115 HB2 LYS 16 HB2 LYS 16 -1.685 8.100 0.737 116 HB3 LYS 16 HB3 LYS 16 -1.827 6.350 0.834 117 HG2 LYS 16 HG2 LYS 16 -1.062 7.032 -1.346 118 HG3 LYS 16 HG3 LYS 16 -2.665 6.319 -1.507 119 HD2 LYS 16 HD2 LYS 16 -3.676 8.562 -1.699 120 HD3 LYS 16 HD3 LYS 16 -2.131 9.323 -1.286 121 HE2 LYS 16 HE2 LYS 16 -2.436 9.541 -3.641 122 HE3 LYS 16 HE3 LYS 16 -1.128 8.386 -3.361 123 HZ1 LYS 16 HZ1 LYS 16 -2.693 6.591 -3.810 124 HZ2 LYS 16 HZ2 LYS 16 -2.699 7.633 -5.056 125 HZ3 LYS 16 HZ3 LYS 16 -3.943 7.664 -3.999 126 H CYS 17 H CYS 17 -5.698 7.403 -0.667 127 HA CYS 17 HA CYS 17 -6.481 4.594 -0.433 128 HB2 CYS 17 HB2 CYS 17 -8.152 6.272 -1.085 129 HB3 CYS 17 HB3 CYS 17 -7.175 6.708 -2.488 130 H CYS 18 H CYS 18 -5.748 2.944 -1.562 131 HA CYS 18 HA CYS 18 -3.289 2.762 -2.638 132 HB2 CYS 18 HB2 CYS 18 -5.232 1.045 -2.019 133 HB3 CYS 18 HB3 CYS 18 -5.452 1.021 -3.757 134 H GLU 19 H GLU 19 -6.224 3.056 -4.749 135 HA GLU 19 HA GLU 19 -4.453 3.989 -6.966 136 HB2 GLU 19 HB2 GLU 19 -6.741 2.549 -7.978 137 HB3 GLU 19 HB3 GLU 19 -5.074 2.420 -8.421 138 HG2 GLU 19 HG2 GLU 19 -6.262 0.981 -5.994 139 HG3 GLU 19 HG3 GLU 19 -6.373 0.358 -7.624 140 H GLY 20 H GLY 20 -6.976 5.010 -5.059 141 HA2 GLY 20 HA2 GLY 20 -7.655 7.307 -5.456 142 HA3 GLY 20 HA3 GLY 20 -7.939 6.935 -7.146 143 H MET 21 H MET 21 -9.267 4.344 -5.738 144 HA MET 21 HA MET 21 -11.967 5.222 -6.145 145 HB2 MET 21 HB2 MET 21 -12.491 2.842 -5.702 146 HB3 MET 21 HB3 MET 21 -11.283 3.120 -6.925 147 HG2 MET 21 HG2 MET 21 -10.400 2.558 -4.090 148 HG3 MET 21 HG3 MET 21 -10.918 1.243 -5.127 149 HE1 MET 21 HE1 MET 21 -8.425 0.934 -7.949 150 HE2 MET 21 HE2 MET 21 -9.772 0.208 -7.058 151 HE3 MET 21 HE3 MET 21 -10.001 1.716 -7.972 152 H VAL 22 H VAL 22 -13.353 3.558 -4.233 153 HA VAL 22 HA VAL 22 -14.091 5.811 -2.647 154 HB VAL 22 HB VAL 22 -15.202 2.989 -2.618 155 HG11 VAL 22 HG11 VAL 22 -17.279 4.120 -1.825 156 HG12 VAL 22 HG12 VAL 22 -15.955 4.259 -0.669 157 HG13 VAL 22 HG13 VAL 22 -16.389 5.650 -1.697 158 HG21 VAL 22 HG21 VAL 22 -15.277 3.961 -4.894 159 HG22 VAL 22 HG22 VAL 22 -16.884 3.903 -4.186 160 HG23 VAL 22 HG23 VAL 22 -16.004 5.444 -4.241 161 H CYS 23 H CYS 23 -13.013 6.454 -0.959 162 HA CYS 23 HA CYS 23 -11.505 4.618 0.734 163 HB2 CYS 23 HB2 CYS 23 -10.557 6.600 -0.379 164 HB3 CYS 23 HB3 CYS 23 -11.645 7.637 0.534 165 H ARG 24 H ARG 24 -13.031 3.632 2.102 166 HA ARG 24 HA ARG 24 -13.992 5.282 4.389 167 HB2 ARG 24 HB2 ARG 24 -15.876 3.680 2.608 168 HB3 ARG 24 HB3 ARG 24 -16.217 4.014 4.293 169 HG2 ARG 24 HG2 ARG 24 -17.355 5.740 3.455 170 HG3 ARG 24 HG3 ARG 24 -15.782 6.543 3.637 171 HD2 ARG 24 HD2 ARG 24 -15.329 6.028 1.186 172 HD3 ARG 24 HD3 ARG 24 -16.889 5.202 1.123 173 HE ARG 24 HE ARG 24 -17.978 7.215 1.044 174 HH11 ARG 24 HH11 ARG 24 -14.671 7.929 2.175 175 HH12 ARG 24 HH12 ARG 24 -15.041 9.637 2.272 176 HH21 ARG 24 HH21 ARG 24 -18.218 9.365 1.021 177 HH22 ARG 24 HH22 ARG 24 -16.909 10.461 1.399 178 H LEU 25 H LEU 25 -12.255 4.200 5.454 179 HA LEU 25 HA LEU 25 -11.286 2.671 6.770 180 HB2 LEU 25 HB2 LEU 25 -13.780 0.960 6.704 181 HB3 LEU 25 HB3 LEU 25 -12.506 0.927 7.888 182 HG LEU 25 HG LEU 25 -14.524 3.179 7.442 183 HD11 LEU 25 HD11 LEU 25 -15.272 2.571 9.719 184 HD12 LEU 25 HD12 LEU 25 -14.096 1.248 9.755 185 HD13 LEU 25 HD13 LEU 25 -15.425 1.212 8.593 186 HD21 LEU 25 HD21 LEU 25 -13.595 4.306 9.372 187 HD22 LEU 25 HD22 LEU 25 -12.326 4.130 8.169 188 HD23 LEU 25 HD23 LEU 25 -12.372 3.048 9.583 189 H TRP 26 H TRP 26 -12.244 1.915 3.697 190 HA TRP 26 HA TRP 26 -9.919 0.225 3.173 191 HB2 TRP 26 HB2 TRP 26 -11.561 -1.315 1.812 192 HB3 TRP 26 HB3 TRP 26 -11.254 -1.561 3.509 193 HD1 TRP 26 HD1 TRP 26 -13.194 -1.889 5.022 194 HE1 TRP 26 HE1 TRP 26 -15.695 -1.414 5.027 195 HE3 TRP 26 HE3 TRP 26 -13.500 0.922 0.729 196 HZ2 TRP 26 HZ2 TRP 26 -17.599 0.023 3.398 197 HZ3 TRP 26 HZ3 TRP 26 -15.634 1.933 0.069 198 HH2 TRP 26 HH2 TRP 26 -17.704 1.493 1.377 199 H CYS 27 H CYS 27 -10.016 -0.237 0.543 200 HA CYS 27 HA CYS 27 -11.338 2.007 -0.801 201 HB2 CYS 27 HB2 CYS 27 -8.747 2.428 -0.077 202 HB3 CYS 27 HB3 CYS 27 -8.546 1.801 -1.717 203 H LYS 28 H LYS 28 -12.685 0.239 -1.374 204 HA LYS 28 HA LYS 28 -11.789 -1.907 -3.135 205 HB2 LYS 28 HB2 LYS 28 -14.480 -0.895 -2.153 206 HB3 LYS 28 HB3 LYS 28 -14.381 -2.083 -3.428 207 HG2 LYS 28 HG2 LYS 28 -14.807 -3.193 -1.407 208 HG3 LYS 28 HG3 LYS 28 -13.218 -3.675 -1.984 209 HD2 LYS 28 HD2 LYS 28 -12.129 -2.712 -0.179 210 HD3 LYS 28 HD3 LYS 28 -13.323 -1.421 -0.018 211 HE2 LYS 28 HE2 LYS 28 -13.447 -2.903 1.914 212 HE3 LYS 28 HE3 LYS 28 -14.952 -2.901 0.994 213 HZ1 LYS 28 HZ1 LYS 28 -14.365 -5.013 0.067 214 HZ2 LYS 28 HZ2 LYS 28 -14.260 -5.108 1.685 215 HZ3 LYS 28 HZ3 LYS 28 -12.878 -5.016 0.770 216 H LYS 29 H LYS 29 -12.186 -2.197 -5.330 217 HA LYS 29 HA LYS 29 -12.234 0.180 -6.992 218 HB2 LYS 29 HB2 LYS 29 -11.053 -2.044 -7.478 219 HB3 LYS 29 HB3 LYS 29 -12.643 -2.665 -7.950 220 HG2 LYS 29 HG2 LYS 29 -12.750 -0.635 -9.569 221 HG3 LYS 29 HG3 LYS 29 -11.028 -0.435 -9.227 222 HD2 LYS 29 HD2 LYS 29 -10.824 -2.955 -9.891 223 HD3 LYS 29 HD3 LYS 29 -12.454 -2.781 -10.529 224 HE2 LYS 29 HE2 LYS 29 -9.944 -1.272 -11.397 225 HE3 LYS 29 HE3 LYS 29 -10.804 -2.531 -12.302 226 HZ1 LYS 29 HZ1 LYS 29 -11.784 0.201 -11.709 227 HZ2 LYS 29 HZ2 LYS 29 -12.759 -0.973 -12.302 228 HZ3 LYS 29 HZ3 LYS 29 -11.480 -0.438 -13.177 229 H LYS 30 H LYS 30 -13.890 1.284 -7.666 230 HA LYS 30 HA LYS 30 -16.527 0.184 -8.282 231 HB2 LYS 30 HB2 LYS 30 -16.489 0.210 -5.771 232 HB3 LYS 30 HB3 LYS 30 -16.238 1.951 -5.810 233 HG2 LYS 30 HG2 LYS 30 -18.403 2.249 -6.951 234 HG3 LYS 30 HG3 LYS 30 -18.610 0.497 -7.059 235 HD2 LYS 30 HD2 LYS 30 -18.683 0.287 -4.624 236 HD3 LYS 30 HD3 LYS 30 -18.361 2.015 -4.430 237 HE2 LYS 30 HE2 LYS 30 -20.836 0.777 -5.703 238 HE3 LYS 30 HE3 LYS 30 -20.737 1.484 -4.078 239 HZ1 LYS 30 HZ1 LYS 30 -20.435 2.876 -6.656 240 HZ2 LYS 30 HZ2 LYS 30 -20.109 3.608 -5.190 241 HZ3 LYS 30 HZ3 LYS 30 -21.624 3.126 -5.570 242 H LEU 31 H LEU 31 -15.873 1.117 -10.237 243 HA LEU 31 HA LEU 31 -16.706 3.882 -10.681 244 HB2 LEU 31 HB2 LEU 31 -14.374 4.175 -10.103 245 HB3 LEU 31 HB3 LEU 31 -13.869 2.898 -11.202 246 HG LEU 31 HG LEU 31 -15.221 5.382 -12.292 247 HD11 LEU 31 HD11 LEU 31 -12.962 6.371 -12.537 248 HD12 LEU 31 HD12 LEU 31 -12.272 5.042 -11.584 249 HD13 LEU 31 HD13 LEU 31 -13.415 6.188 -10.841 250 HD21 LEU 31 HD21 LEU 31 -14.761 3.542 -13.923 251 HD22 LEU 31 HD22 LEU 31 -13.068 3.506 -13.402 252 HD23 LEU 31 HD23 LEU 31 -13.726 4.926 -14.234 253 H LEU 32 H LEU 32 -17.514 4.097 -12.801 254 HA LEU 32 HA LEU 32 -17.286 1.689 -14.609 255 HB2 LEU 32 HB2 LEU 32 -19.735 1.655 -14.863 256 HB3 LEU 32 HB3 LEU 32 -19.231 1.211 -13.241 257 HG LEU 32 HG LEU 32 -19.760 4.154 -13.522 258 HD11 LEU 32 HD11 LEU 32 -22.054 2.179 -13.873 259 HD12 LEU 32 HD12 LEU 32 -21.471 3.329 -15.097 260 HD13 LEU 32 HD13 LEU 32 -22.208 3.929 -13.603 261 HD21 LEU 32 HD21 LEU 32 -20.867 2.006 -11.645 262 HD22 LEU 32 HD22 LEU 32 -21.024 3.761 -11.445 263 HD23 LEU 32 HD23 LEU 32 -19.431 3.001 -11.331 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 3.870 -4.987 -3.298 2 H2 GLY 1 H2 GLY 1 4.916 -4.669 -4.516 3 H3 GLY 1 H3 GLY 1 4.490 -3.474 -3.455 4 HA2 GLY 1 HA2 GLY 1 3.363 -3.199 -5.578 5 HA3 GLY 1 HA3 GLY 1 2.682 -4.823 -5.364 6 HA PRO 2 HA PRO 2 0.177 -1.370 -3.285 7 HB2 PRO 2 HB2 PRO 2 -1.829 -0.843 -5.040 8 HB3 PRO 2 HB3 PRO 2 -0.179 -0.199 -5.256 9 HG2 PRO 2 HG2 PRO 2 -1.376 -2.676 -6.537 10 HG3 PRO 2 HG3 PRO 2 -0.508 -1.315 -7.317 11 HD2 PRO 2 HD2 PRO 2 0.750 -3.646 -6.630 12 HD3 PRO 2 HD3 PRO 2 1.574 -2.059 -6.558 13 H TYR 3 H TYR 3 0.006 -3.403 -1.967 14 HA TYR 3 HA TYR 3 -2.510 -4.874 -2.311 15 HB2 TYR 3 HB2 TYR 3 -0.183 -5.399 -0.487 16 HB3 TYR 3 HB3 TYR 3 -1.658 -6.366 -0.553 17 HD1 TYR 3 HD1 TYR 3 1.601 -6.049 -1.868 18 HD2 TYR 3 HD2 TYR 3 -2.414 -7.129 -3.029 19 HE1 TYR 3 HE1 TYR 3 2.477 -7.158 -3.918 20 HE2 TYR 3 HE2 TYR 3 -1.524 -8.210 -5.089 21 HH TYR 3 HH TYR 3 0.354 -8.467 -6.431 22 H CYS 4 H CYS 4 -3.628 -2.813 -1.993 23 HA CYS 4 HA CYS 4 -4.292 -2.362 0.883 24 HB2 CYS 4 HB2 CYS 4 -4.047 0.134 0.221 25 HB3 CYS 4 HB3 CYS 4 -2.670 -0.838 0.678 26 H GLN 5 H GLN 5 -5.523 -2.083 -2.456 27 HA GLN 5 HA GLN 5 -8.198 -1.419 -1.356 28 HB2 GLN 5 HB2 GLN 5 -7.704 -0.193 -3.269 29 HB3 GLN 5 HB3 GLN 5 -7.009 -1.558 -4.100 30 HG2 GLN 5 HG2 GLN 5 -9.955 -1.200 -3.535 31 HG3 GLN 5 HG3 GLN 5 -9.157 -0.739 -5.025 32 HE21 GLN 5 HE21 GLN 5 -7.557 -2.965 -5.667 33 HE22 GLN 5 HE22 GLN 5 -8.644 -4.352 -5.833 34 H LYS 6 H LYS 6 -6.551 -4.051 -3.181 35 HA LYS 6 HA LYS 6 -8.643 -5.973 -2.782 36 HB2 LYS 6 HB2 LYS 6 -6.392 -5.971 -4.293 37 HB3 LYS 6 HB3 LYS 6 -5.765 -6.865 -2.901 38 HG2 LYS 6 HG2 LYS 6 -8.162 -8.146 -3.257 39 HG3 LYS 6 HG3 LYS 6 -7.902 -7.579 -4.895 40 HD2 LYS 6 HD2 LYS 6 -6.163 -9.414 -3.213 41 HD3 LYS 6 HD3 LYS 6 -7.125 -9.832 -4.634 42 HE2 LYS 6 HE2 LYS 6 -5.596 -8.428 -6.037 43 HE3 LYS 6 HE3 LYS 6 -4.575 -8.174 -4.607 44 HZ1 LYS 6 HZ1 LYS 6 -5.245 -10.771 -5.875 45 HZ2 LYS 6 HZ2 LYS 6 -4.405 -10.673 -4.471 46 HZ3 LYS 6 HZ3 LYS 6 -3.756 -10.099 -5.853 47 H TRP 7 H TRP 7 -6.591 -4.585 -0.553 48 HA TRP 7 HA TRP 7 -7.080 -6.597 1.555 49 HB2 TRP 7 HB2 TRP 7 -4.480 -5.798 0.397 50 HB3 TRP 7 HB3 TRP 7 -4.521 -5.870 2.139 51 HD1 TRP 7 HD1 TRP 7 -4.922 -8.174 -0.889 52 HE1 TRP 7 HE1 TRP 7 -4.643 -10.613 -0.105 53 HE3 TRP 7 HE3 TRP 7 -5.076 -7.430 4.172 54 HZ2 TRP 7 HZ2 TRP 7 -4.336 -12.017 2.390 55 HZ3 TRP 7 HZ3 TRP 7 -4.795 -9.340 5.733 56 HH2 TRP 7 HH2 TRP 7 -4.383 -11.622 4.859 57 H MET 8 H MET 8 -8.409 -4.099 1.071 58 HA MET 8 HA MET 8 -9.264 -2.414 2.332 59 HB2 MET 8 HB2 MET 8 -9.235 -4.884 4.081 60 HB3 MET 8 HB3 MET 8 -10.245 -3.468 4.413 61 HG2 MET 8 HG2 MET 8 -11.143 -3.666 2.048 62 HG3 MET 8 HG3 MET 8 -10.335 -5.227 1.937 63 HE1 MET 8 HE1 MET 8 -10.993 -7.348 3.237 64 HE2 MET 8 HE2 MET 8 -10.812 -6.565 4.818 65 HE3 MET 8 HE3 MET 8 -12.301 -7.455 4.433 66 H GLN 9 H GLN 9 -7.132 -1.289 2.328 67 HA GLN 9 HA GLN 9 -5.425 -1.073 4.480 68 HB2 GLN 9 HB2 GLN 9 -4.562 0.866 3.281 69 HB3 GLN 9 HB3 GLN 9 -4.997 -0.413 2.168 70 HG2 GLN 9 HG2 GLN 9 -7.121 0.709 1.581 71 HG3 GLN 9 HG3 GLN 9 -6.875 1.920 2.829 72 HE21 GLN 9 HE21 GLN 9 -3.967 2.357 2.185 73 HE22 GLN 9 HE22 GLN 9 -4.210 3.503 0.873 74 H THR 10 H THR 10 -8.211 -0.421 5.668 75 HA THR 10 HA THR 10 -9.021 1.052 7.293 76 HB THR 10 HB THR 10 -6.083 1.469 7.866 77 HG1 THR 10 HG1 THR 10 -7.775 -0.770 8.119 78 HG21 THR 10 HG21 THR 10 -8.451 1.008 9.694 79 HG22 THR 10 HG22 THR 10 -7.767 2.611 9.374 80 HG23 THR 10 HG23 THR 10 -6.793 1.385 10.189 81 H CYS 11 H CYS 11 -9.573 2.438 5.220 82 HA CYS 11 HA CYS 11 -7.809 4.677 4.809 83 HB2 CYS 11 HB2 CYS 11 -9.031 3.159 3.130 84 HB3 CYS 11 HB3 CYS 11 -10.358 4.311 3.286 85 H ASP 12 H ASP 12 -8.011 5.768 6.780 86 HA ASP 12 HA ASP 12 -10.283 7.487 7.382 87 HB2 ASP 12 HB2 ASP 12 -7.421 7.316 8.362 88 HB3 ASP 12 HB3 ASP 12 -8.525 8.577 8.890 89 H SER 13 H SER 13 -9.679 9.991 7.708 90 HA SER 13 HA SER 13 -9.525 11.310 5.202 91 HB2 SER 13 HB2 SER 13 -10.419 12.345 7.207 92 HB3 SER 13 HB3 SER 13 -8.838 12.303 7.980 93 HG SER 13 HG SER 13 -9.490 14.325 7.085 94 H GLU 14 H GLU 14 -6.894 10.695 7.545 95 HA GLU 14 HA GLU 14 -4.784 11.956 6.063 96 HB2 GLU 14 HB2 GLU 14 -4.565 11.641 8.393 97 HB3 GLU 14 HB3 GLU 14 -4.939 9.925 8.294 98 HG2 GLU 14 HG2 GLU 14 -2.794 9.447 7.229 99 HG3 GLU 14 HG3 GLU 14 -2.397 11.166 7.203 100 H ARG 15 H ARG 15 -6.273 8.779 5.594 101 HA ARG 15 HA ARG 15 -3.760 7.596 4.728 102 HB2 ARG 15 HB2 ARG 15 -6.143 6.635 5.824 103 HB3 ARG 15 HB3 ARG 15 -6.205 6.019 4.180 104 HG2 ARG 15 HG2 ARG 15 -3.667 5.737 5.857 105 HG3 ARG 15 HG3 ARG 15 -5.032 4.655 6.140 106 HD2 ARG 15 HD2 ARG 15 -4.951 3.692 4.005 107 HD3 ARG 15 HD3 ARG 15 -4.050 5.077 3.309 108 HE ARG 15 HE ARG 15 -2.091 4.024 3.844 109 HH11 ARG 15 HH11 ARG 15 -4.437 2.473 6.023 110 HH12 ARG 15 HH12 ARG 15 -3.102 1.794 6.949 111 HH21 ARG 15 HH21 ARG 15 -0.652 2.872 4.905 112 HH22 ARG 15 HH22 ARG 15 -1.118 1.934 6.325 113 H LYS 16 H LYS 16 -2.913 7.533 2.757 114 HA LYS 16 HA LYS 16 -4.167 8.569 0.382 115 HB2 LYS 16 HB2 LYS 16 -1.906 6.534 0.577 116 HB3 LYS 16 HB3 LYS 16 -2.363 7.475 -0.836 117 HG2 LYS 16 HG2 LYS 16 -1.119 8.537 1.722 118 HG3 LYS 16 HG3 LYS 16 -0.362 8.342 0.145 119 HD2 LYS 16 HD2 LYS 16 -2.407 9.986 -0.597 120 HD3 LYS 16 HD3 LYS 16 -2.284 10.442 1.108 121 HE2 LYS 16 HE2 LYS 16 -0.749 11.914 0.126 122 HE3 LYS 16 HE3 LYS 16 0.302 10.588 0.625 123 HZ1 LYS 16 HZ1 LYS 16 0.825 11.048 -1.655 124 HZ2 LYS 16 HZ2 LYS 16 -0.752 11.202 -2.058 125 HZ3 LYS 16 HZ3 LYS 16 -0.153 9.715 -1.773 126 H CYS 17 H CYS 17 -5.814 7.660 -0.807 127 HA CYS 17 HA CYS 17 -6.604 4.921 -0.515 128 HB2 CYS 17 HB2 CYS 17 -8.073 6.678 -1.436 129 HB3 CYS 17 HB3 CYS 17 -7.063 6.753 -2.880 130 H CYS 18 H CYS 18 -6.077 3.114 -1.631 131 HA CYS 18 HA CYS 18 -3.489 2.779 -2.656 132 HB2 CYS 18 HB2 CYS 18 -5.055 1.178 -1.498 133 HB3 CYS 18 HB3 CYS 18 -5.941 1.032 -3.003 134 H GLU 19 H GLU 19 -6.543 3.158 -4.453 135 HA GLU 19 HA GLU 19 -5.111 2.951 -7.064 136 HB2 GLU 19 HB2 GLU 19 -7.639 1.400 -6.419 137 HB3 GLU 19 HB3 GLU 19 -6.664 1.341 -7.888 138 HG2 GLU 19 HG2 GLU 19 -4.748 0.532 -6.282 139 HG3 GLU 19 HG3 GLU 19 -6.053 0.219 -5.143 140 H GLY 20 H GLY 20 -6.655 5.239 -5.560 141 HA2 GLY 20 HA2 GLY 20 -7.925 7.045 -6.296 142 HA3 GLY 20 HA3 GLY 20 -7.846 6.398 -7.929 143 H MET 21 H MET 21 -9.395 5.555 -4.806 144 HA MET 21 HA MET 21 -11.941 4.791 -6.140 145 HB2 MET 21 HB2 MET 21 -10.295 2.963 -4.359 146 HB3 MET 21 HB3 MET 21 -11.895 2.632 -5.012 147 HG2 MET 21 HG2 MET 21 -9.400 3.019 -6.680 148 HG3 MET 21 HG3 MET 21 -10.098 1.471 -6.236 149 HE1 MET 21 HE1 MET 21 -10.684 1.751 -10.112 150 HE2 MET 21 HE2 MET 21 -9.463 2.797 -9.371 151 HE3 MET 21 HE3 MET 21 -9.633 1.120 -8.822 152 H VAL 22 H VAL 22 -13.413 3.816 -4.117 153 HA VAL 22 HA VAL 22 -13.921 6.124 -2.467 154 HB VAL 22 HB VAL 22 -15.013 3.302 -2.149 155 HG11 VAL 22 HG11 VAL 22 -15.370 4.644 -0.112 156 HG12 VAL 22 HG12 VAL 22 -16.013 5.986 -1.089 157 HG13 VAL 22 HG13 VAL 22 -16.890 4.442 -0.977 158 HG21 VAL 22 HG21 VAL 22 -16.168 5.678 -3.647 159 HG22 VAL 22 HG22 VAL 22 -15.579 4.155 -4.355 160 HG23 VAL 22 HG23 VAL 22 -17.002 4.143 -3.313 161 H CYS 23 H CYS 23 -12.449 6.739 -0.991 162 HA CYS 23 HA CYS 23 -11.150 4.829 0.819 163 HB2 CYS 23 HB2 CYS 23 -9.989 6.762 -0.161 164 HB3 CYS 23 HB3 CYS 23 -11.101 7.851 0.651 165 H ARG 24 H ARG 24 -12.767 3.889 1.985 166 HA ARG 24 HA ARG 24 -13.646 5.358 4.363 167 HB2 ARG 24 HB2 ARG 24 -15.653 4.302 2.333 168 HB3 ARG 24 HB3 ARG 24 -15.996 4.151 4.042 169 HG2 ARG 24 HG2 ARG 24 -16.893 6.143 4.012 170 HG3 ARG 24 HG3 ARG 24 -15.257 6.819 3.932 171 HD2 ARG 24 HD2 ARG 24 -15.418 6.725 1.409 172 HD3 ARG 24 HD3 ARG 24 -17.067 6.111 1.571 173 HE ARG 24 HE ARG 24 -16.833 8.370 3.236 174 HH11 ARG 24 HH11 ARG 24 -17.690 7.549 -0.047 175 HH12 ARG 24 HH12 ARG 24 -18.089 9.219 -0.411 176 HH21 ARG 24 HH21 ARG 24 -17.276 10.468 2.632 177 HH22 ARG 24 HH22 ARG 24 -18.059 10.723 1.089 178 H LEU 25 H LEU 25 -12.785 4.076 5.880 179 HA LEU 25 HA LEU 25 -11.973 2.280 7.004 180 HB2 LEU 25 HB2 LEU 25 -14.064 0.521 5.745 181 HB3 LEU 25 HB3 LEU 25 -13.314 0.379 7.323 182 HG LEU 25 HG LEU 25 -15.329 2.529 6.502 183 HD11 LEU 25 HD11 LEU 25 -16.843 1.271 7.945 184 HD12 LEU 25 HD12 LEU 25 -15.568 0.079 8.267 185 HD13 LEU 25 HD13 LEU 25 -16.252 0.246 6.629 186 HD21 LEU 25 HD21 LEU 25 -15.422 3.045 8.906 187 HD22 LEU 25 HD22 LEU 25 -13.786 3.306 8.280 188 HD23 LEU 25 HD23 LEU 25 -14.141 1.852 9.235 189 H TRP 26 H TRP 26 -12.232 1.834 3.626 190 HA TRP 26 HA TRP 26 -9.694 0.403 3.358 191 HB2 TRP 26 HB2 TRP 26 -11.043 -1.140 1.670 192 HB3 TRP 26 HB3 TRP 26 -10.929 -1.486 3.380 193 HD1 TRP 26 HD1 TRP 26 -13.003 -2.212 4.513 194 HE1 TRP 26 HE1 TRP 26 -15.525 -1.881 4.250 195 HE3 TRP 26 HE3 TRP 26 -13.008 1.076 0.563 196 HZ2 TRP 26 HZ2 TRP 26 -17.296 -0.335 2.633 197 HZ3 TRP 26 HZ3 TRP 26 -15.108 2.119 -0.155 198 HH2 TRP 26 HH2 TRP 26 -17.265 1.465 0.895 199 H CYS 27 H CYS 27 -9.483 0.104 0.767 200 HA CYS 27 HA CYS 27 -11.191 2.043 -0.614 201 HB2 CYS 27 HB2 CYS 27 -8.273 1.741 -1.129 202 HB3 CYS 27 HB3 CYS 27 -9.369 1.865 -2.509 203 H LYS 28 H LYS 28 -12.296 1.212 -2.330 204 HA LYS 28 HA LYS 28 -11.990 -1.689 -3.005 205 HB2 LYS 28 HB2 LYS 28 -14.462 -0.262 -2.016 206 HB3 LYS 28 HB3 LYS 28 -14.558 -1.750 -2.948 207 HG2 LYS 28 HG2 LYS 28 -13.071 -1.517 -0.296 208 HG3 LYS 28 HG3 LYS 28 -14.752 -2.018 -0.469 209 HD2 LYS 28 HD2 LYS 28 -13.913 -3.893 -1.996 210 HD3 LYS 28 HD3 LYS 28 -12.277 -3.478 -1.472 211 HE2 LYS 28 HE2 LYS 28 -12.981 -3.804 0.910 212 HE3 LYS 28 HE3 LYS 28 -14.616 -4.178 0.363 213 HZ1 LYS 28 HZ1 LYS 28 -12.200 -5.824 -0.167 214 HZ2 LYS 28 HZ2 LYS 28 -13.659 -6.090 -0.869 215 HZ3 LYS 28 HZ3 LYS 28 -13.537 -6.208 0.741 216 H LYS 29 H LYS 29 -12.166 -2.036 -5.176 217 HA LYS 29 HA LYS 29 -11.998 0.103 -6.975 218 HB2 LYS 29 HB2 LYS 29 -12.610 -2.812 -7.367 219 HB3 LYS 29 HB3 LYS 29 -12.793 -1.697 -8.722 220 HG2 LYS 29 HG2 LYS 29 -10.494 -1.015 -8.650 221 HG3 LYS 29 HG3 LYS 29 -10.207 -1.913 -7.157 222 HD2 LYS 29 HD2 LYS 29 -10.731 -4.032 -8.346 223 HD3 LYS 29 HD3 LYS 29 -10.977 -3.136 -9.848 224 HE2 LYS 29 HE2 LYS 29 -8.612 -2.445 -9.864 225 HE3 LYS 29 HE3 LYS 29 -8.357 -3.181 -8.279 226 HZ1 LYS 29 HZ1 LYS 29 -8.903 -5.347 -9.270 227 HZ2 LYS 29 HZ2 LYS 29 -7.609 -4.693 -10.029 228 HZ3 LYS 29 HZ3 LYS 29 -9.097 -4.679 -10.748 229 H LYS 30 H LYS 30 -13.268 1.495 -7.813 230 HA LYS 30 HA LYS 30 -16.048 1.006 -8.576 231 HB2 LYS 30 HB2 LYS 30 -16.082 1.711 -6.107 232 HB3 LYS 30 HB3 LYS 30 -15.455 3.270 -6.629 233 HG2 LYS 30 HG2 LYS 30 -17.498 3.344 -8.249 234 HG3 LYS 30 HG3 LYS 30 -18.110 1.949 -7.356 235 HD2 LYS 30 HD2 LYS 30 -17.984 3.307 -5.246 236 HD3 LYS 30 HD3 LYS 30 -17.448 4.696 -6.208 237 HE2 LYS 30 HE2 LYS 30 -19.636 4.337 -7.576 238 HE3 LYS 30 HE3 LYS 30 -20.134 3.282 -6.239 239 HZ1 LYS 30 HZ1 LYS 30 -19.565 5.332 -4.786 240 HZ2 LYS 30 HZ2 LYS 30 -20.938 5.438 -5.686 241 HZ3 LYS 30 HZ3 LYS 30 -19.594 6.179 -6.198 242 H LEU 31 H LEU 31 -14.544 1.164 -10.450 243 HA LEU 31 HA LEU 31 -14.961 3.632 -11.775 244 HB2 LEU 31 HB2 LEU 31 -12.345 3.371 -10.534 245 HB3 LEU 31 HB3 LEU 31 -12.134 3.304 -12.273 246 HG LEU 31 HG LEU 31 -13.678 5.496 -10.807 247 HD11 LEU 31 HD11 LEU 31 -11.758 6.915 -11.201 248 HD12 LEU 31 HD12 LEU 31 -10.885 5.592 -12.014 249 HD13 LEU 31 HD13 LEU 31 -11.234 5.491 -10.280 250 HD21 LEU 31 HD21 LEU 31 -13.417 6.719 -12.956 251 HD22 LEU 31 HD22 LEU 31 -14.408 5.284 -13.144 252 HD23 LEU 31 HD23 LEU 31 -12.709 5.264 -13.687 253 H LEU 32 H LEU 32 -14.485 3.475 -14.040 254 HA LEU 32 HA LEU 32 -14.241 0.636 -15.059 255 HB2 LEU 32 HB2 LEU 32 -16.271 2.846 -15.805 256 HB3 LEU 32 HB3 LEU 32 -16.025 1.326 -16.663 257 HG LEU 32 HG LEU 32 -16.520 0.164 -14.354 258 HD11 LEU 32 HD11 LEU 32 -18.344 1.428 -13.097 259 HD12 LEU 32 HD12 LEU 32 -17.851 2.895 -13.960 260 HD13 LEU 32 HD13 LEU 32 -16.747 2.093 -12.836 261 HD21 LEU 32 HD21 LEU 32 -18.910 0.095 -14.964 262 HD22 LEU 32 HD22 LEU 32 -17.936 0.075 -16.441 263 HD23 LEU 32 HD23 LEU 32 -18.734 1.570 -15.928 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 5.082 -3.594 -2.707 2 H2 GLY 1 H2 GLY 1 4.907 -4.568 -1.383 3 H3 GLY 1 H3 GLY 1 5.260 -5.217 -2.861 4 HA2 GLY 1 HA2 GLY 1 3.167 -4.462 -3.751 5 HA3 GLY 1 HA3 GLY 1 2.974 -5.616 -2.422 6 HA PRO 2 HA PRO 2 1.583 -1.191 -1.229 7 HB2 PRO 2 HB2 PRO 2 -0.508 -0.320 -2.755 8 HB3 PRO 2 HB3 PRO 2 1.209 -0.148 -3.222 9 HG2 PRO 2 HG2 PRO 2 -0.744 -2.310 -4.085 10 HG3 PRO 2 HG3 PRO 2 0.310 -1.299 -5.125 11 HD2 PRO 2 HD2 PRO 2 1.053 -3.802 -4.331 12 HD3 PRO 2 HD3 PRO 2 2.247 -2.476 -4.474 13 H TYR 3 H TYR 3 -0.543 -3.872 -2.043 14 HA TYR 3 HA TYR 3 -2.323 -4.766 -1.006 15 HB2 TYR 3 HB2 TYR 3 -0.179 -4.542 1.043 16 HB3 TYR 3 HB3 TYR 3 -1.674 -5.395 1.394 17 HD1 TYR 3 HD1 TYR 3 1.538 -5.748 -0.131 18 HD2 TYR 3 HD2 TYR 3 -2.535 -7.171 -0.252 19 HE1 TYR 3 HE1 TYR 3 2.296 -7.864 -1.219 20 HE2 TYR 3 HE2 TYR 3 -1.776 -9.261 -1.355 21 HH TYR 3 HH TYR 3 1.649 -10.048 -1.604 22 H CYS 4 H CYS 4 -3.363 -2.446 -1.438 23 HA CYS 4 HA CYS 4 -4.913 -1.831 1.032 24 HB2 CYS 4 HB2 CYS 4 -4.702 0.551 0.193 25 HB3 CYS 4 HB3 CYS 4 -3.283 -0.187 0.889 26 H GLN 5 H GLN 5 -5.295 -2.648 -2.202 27 HA GLN 5 HA GLN 5 -8.099 -1.613 -2.330 28 HB2 GLN 5 HB2 GLN 5 -6.743 -0.931 -4.156 29 HB3 GLN 5 HB3 GLN 5 -6.037 -2.522 -4.364 30 HG2 GLN 5 HG2 GLN 5 -8.935 -2.637 -4.691 31 HG3 GLN 5 HG3 GLN 5 -8.268 -1.395 -5.720 32 HE21 GLN 5 HE21 GLN 5 -6.110 -2.188 -6.994 33 HE22 GLN 5 HE22 GLN 5 -6.208 -3.857 -7.548 34 H LYS 6 H LYS 6 -6.168 -4.538 -2.912 35 HA LYS 6 HA LYS 6 -8.496 -6.302 -2.704 36 HB2 LYS 6 HB2 LYS 6 -6.186 -6.421 -4.149 37 HB3 LYS 6 HB3 LYS 6 -5.754 -7.471 -2.794 38 HG2 LYS 6 HG2 LYS 6 -7.778 -8.839 -3.190 39 HG3 LYS 6 HG3 LYS 6 -8.319 -7.728 -4.448 40 HD2 LYS 6 HD2 LYS 6 -5.890 -9.552 -4.532 41 HD3 LYS 6 HD3 LYS 6 -7.368 -9.706 -5.473 42 HE2 LYS 6 HE2 LYS 6 -5.243 -7.542 -5.739 43 HE3 LYS 6 HE3 LYS 6 -5.591 -8.842 -6.874 44 HZ1 LYS 6 HZ1 LYS 6 -6.582 -6.756 -7.589 45 HZ2 LYS 6 HZ2 LYS 6 -7.479 -6.614 -6.255 46 HZ3 LYS 6 HZ3 LYS 6 -7.736 -7.860 -7.329 47 H TRP 7 H TRP 7 -6.896 -4.709 -0.357 48 HA TRP 7 HA TRP 7 -7.434 -6.689 1.735 49 HB2 TRP 7 HB2 TRP 7 -5.129 -7.182 0.862 50 HB3 TRP 7 HB3 TRP 7 -4.652 -5.544 1.250 51 HD1 TRP 7 HD1 TRP 7 -4.185 -5.003 3.818 52 HE1 TRP 7 HE1 TRP 7 -3.842 -6.465 5.908 53 HE3 TRP 7 HE3 TRP 7 -6.076 -9.410 2.030 54 HZ2 TRP 7 HZ2 TRP 7 -4.248 -9.232 6.660 55 HZ3 TRP 7 HZ3 TRP 7 -6.009 -11.465 3.428 56 HH2 TRP 7 HH2 TRP 7 -5.117 -11.384 5.742 57 H MET 8 H MET 8 -7.658 -5.623 3.794 58 HA MET 8 HA MET 8 -8.818 -3.028 3.243 59 HB2 MET 8 HB2 MET 8 -8.960 -4.793 5.697 60 HB3 MET 8 HB3 MET 8 -9.905 -3.313 5.450 61 HG2 MET 8 HG2 MET 8 -10.927 -4.295 3.422 62 HG3 MET 8 HG3 MET 8 -9.939 -5.737 3.618 63 HE1 MET 8 HE1 MET 8 -12.642 -7.897 4.694 64 HE2 MET 8 HE2 MET 8 -12.254 -6.995 3.230 65 HE3 MET 8 HE3 MET 8 -10.957 -7.758 4.177 66 H GLN 9 H GLN 9 -7.260 -1.496 3.077 67 HA GLN 9 HA GLN 9 -5.130 -1.130 4.879 68 HB2 GLN 9 HB2 GLN 9 -4.659 0.904 3.680 69 HB3 GLN 9 HB3 GLN 9 -5.061 -0.394 2.579 70 HG2 GLN 9 HG2 GLN 9 -7.281 0.539 2.161 71 HG3 GLN 9 HG3 GLN 9 -7.052 1.755 3.418 72 HE21 GLN 9 HE21 GLN 9 -4.094 2.243 2.357 73 HE22 GLN 9 HE22 GLN 9 -4.513 3.384 1.084 74 H THR 10 H THR 10 -8.290 -0.254 5.810 75 HA THR 10 HA THR 10 -9.174 1.285 7.233 76 HB THR 10 HB THR 10 -6.449 1.702 8.476 77 HG1 THR 10 HG1 THR 10 -7.973 -0.552 8.362 78 HG21 THR 10 HG21 THR 10 -8.355 3.199 9.169 79 HG22 THR 10 HG22 THR 10 -7.751 2.166 10.459 80 HG23 THR 10 HG23 THR 10 -9.280 1.766 9.625 81 H CYS 11 H CYS 11 -9.585 2.585 5.391 82 HA CYS 11 HA CYS 11 -7.732 4.690 4.659 83 HB2 CYS 11 HB2 CYS 11 -9.212 3.284 3.133 84 HB3 CYS 11 HB3 CYS 11 -10.521 4.397 3.546 85 H ASP 12 H ASP 12 -7.786 5.523 6.965 86 HA ASP 12 HA ASP 12 -9.618 7.619 7.675 87 HB2 ASP 12 HB2 ASP 12 -6.603 7.380 8.038 88 HB3 ASP 12 HB3 ASP 12 -7.581 8.687 8.694 89 H SER 13 H SER 13 -9.597 9.896 7.112 90 HA SER 13 HA SER 13 -8.981 10.510 4.427 91 HB2 SER 13 HB2 SER 13 -9.612 12.755 4.912 92 HB3 SER 13 HB3 SER 13 -10.653 11.678 5.841 93 HG SER 13 HG SER 13 -9.391 12.153 7.705 94 H GLU 14 H GLU 14 -6.636 10.212 6.781 95 HA GLU 14 HA GLU 14 -4.731 12.084 5.485 96 HB2 GLU 14 HB2 GLU 14 -3.203 11.408 7.259 97 HB3 GLU 14 HB3 GLU 14 -4.680 12.124 7.883 98 HG2 GLU 14 HG2 GLU 14 -5.534 9.960 8.586 99 HG3 GLU 14 HG3 GLU 14 -4.224 9.115 7.763 100 H ARG 15 H ARG 15 -5.792 8.880 4.963 101 HA ARG 15 HA ARG 15 -3.083 7.879 4.311 102 HB2 ARG 15 HB2 ARG 15 -4.662 6.554 5.745 103 HB3 ARG 15 HB3 ARG 15 -5.700 6.320 4.326 104 HG2 ARG 15 HG2 ARG 15 -3.869 5.136 3.149 105 HG3 ARG 15 HG3 ARG 15 -2.743 5.552 4.446 106 HD2 ARG 15 HD2 ARG 15 -4.359 4.292 6.024 107 HD3 ARG 15 HD3 ARG 15 -5.084 3.613 4.518 108 HE ARG 15 HE ARG 15 -2.589 3.028 3.957 109 HH11 ARG 15 HH11 ARG 15 -4.159 2.293 6.943 110 HH12 ARG 15 HH12 ARG 15 -2.671 1.839 7.760 111 HH21 ARG 15 HH21 ARG 15 -0.727 2.120 4.967 112 HH22 ARG 15 HH22 ARG 15 -0.969 1.427 6.564 113 H LYS 16 H LYS 16 -2.336 7.419 2.392 114 HA LYS 16 HA LYS 16 -3.281 8.020 -0.164 115 HB2 LYS 16 HB2 LYS 16 -1.772 6.171 -0.903 116 HB3 LYS 16 HB3 LYS 16 -1.025 7.360 0.153 117 HG2 LYS 16 HG2 LYS 16 -0.707 5.866 1.902 118 HG3 LYS 16 HG3 LYS 16 -2.129 4.932 1.539 119 HD2 LYS 16 HD2 LYS 16 -0.400 3.484 1.059 120 HD3 LYS 16 HD3 LYS 16 -0.949 4.033 -0.526 121 HE2 LYS 16 HE2 LYS 16 0.961 5.706 -0.528 122 HE3 LYS 16 HE3 LYS 16 1.471 5.055 1.033 123 HZ1 LYS 16 HZ1 LYS 16 2.733 3.786 -0.432 124 HZ2 LYS 16 HZ2 LYS 16 1.636 3.815 -1.615 125 HZ3 LYS 16 HZ3 LYS 16 1.381 2.812 -0.348 126 H CYS 17 H CYS 17 -5.462 7.625 -0.648 127 HA CYS 17 HA CYS 17 -6.712 5.055 -0.236 128 HB2 CYS 17 HB2 CYS 17 -8.052 7.024 -0.498 129 HB3 CYS 17 HB3 CYS 17 -7.375 7.349 -2.095 130 H CYS 18 H CYS 18 -6.305 3.233 -1.217 131 HA CYS 18 HA CYS 18 -4.052 2.814 -2.498 132 HB2 CYS 18 HB2 CYS 18 -5.792 1.161 -1.550 133 HB3 CYS 18 HB3 CYS 18 -6.407 1.037 -3.187 134 H GLU 19 H GLU 19 -7.052 2.891 -4.426 135 HA GLU 19 HA GLU 19 -5.483 3.463 -6.912 136 HB2 GLU 19 HB2 GLU 19 -8.246 2.243 -6.779 137 HB3 GLU 19 HB3 GLU 19 -7.196 2.370 -8.189 138 HG2 GLU 19 HG2 GLU 19 -6.712 0.585 -5.774 139 HG3 GLU 19 HG3 GLU 19 -7.482 0.095 -7.275 140 H GLY 20 H GLY 20 -6.642 5.306 -4.751 141 HA2 GLY 20 HA2 GLY 20 -7.570 7.372 -4.661 142 HA3 GLY 20 HA3 GLY 20 -7.616 7.361 -6.427 143 H MET 21 H MET 21 -9.504 4.839 -4.971 144 HA MET 21 HA MET 21 -11.963 6.411 -5.523 145 HB2 MET 21 HB2 MET 21 -12.924 4.416 -6.614 146 HB3 MET 21 HB3 MET 21 -11.532 5.111 -7.437 147 HG2 MET 21 HG2 MET 21 -10.096 3.322 -6.378 148 HG3 MET 21 HG3 MET 21 -11.578 2.579 -5.780 149 HE1 MET 21 HE1 MET 21 -9.162 3.076 -8.812 150 HE2 MET 21 HE2 MET 21 -10.198 2.754 -10.207 151 HE3 MET 21 HE3 MET 21 -10.421 4.241 -9.257 152 H VAL 22 H VAL 22 -13.277 6.638 -3.996 153 HA VAL 22 HA VAL 22 -14.539 6.398 -2.167 154 HB VAL 22 HB VAL 22 -15.038 3.633 -3.249 155 HG11 VAL 22 HG11 VAL 22 -16.183 4.059 -1.067 156 HG12 VAL 22 HG12 VAL 22 -16.817 5.595 -1.700 157 HG13 VAL 22 HG13 VAL 22 -17.325 4.029 -2.389 158 HG21 VAL 22 HG21 VAL 22 -16.163 6.391 -3.975 159 HG22 VAL 22 HG22 VAL 22 -15.171 5.368 -5.021 160 HG23 VAL 22 HG23 VAL 22 -16.787 4.846 -4.569 161 H CYS 23 H CYS 23 -12.625 6.710 -1.030 162 HA CYS 23 HA CYS 23 -11.440 4.785 0.742 163 HB2 CYS 23 HB2 CYS 23 -10.472 6.926 -0.041 164 HB3 CYS 23 HB3 CYS 23 -11.721 7.805 0.822 165 H ARG 24 H ARG 24 -13.236 3.627 1.536 166 HA ARG 24 HA ARG 24 -14.404 4.800 4.024 167 HB2 ARG 24 HB2 ARG 24 -16.002 3.444 1.831 168 HB3 ARG 24 HB3 ARG 24 -16.466 3.324 3.522 169 HG2 ARG 24 HG2 ARG 24 -17.706 5.139 2.983 170 HG3 ARG 24 HG3 ARG 24 -16.239 5.960 3.557 171 HD2 ARG 24 HD2 ARG 24 -15.477 5.967 1.081 172 HD3 ARG 24 HD3 ARG 24 -17.083 5.341 0.696 173 HE ARG 24 HE ARG 24 -18.043 7.342 1.827 174 HH11 ARG 24 HH11 ARG 24 -14.600 7.776 1.479 175 HH12 ARG 24 HH12 ARG 24 -14.793 9.447 0.978 176 HH21 ARG 24 HH21 ARG 24 -18.185 9.427 1.129 177 HH22 ARG 24 HH22 ARG 24 -16.725 10.387 0.920 178 H LEU 25 H LEU 25 -12.948 3.857 5.227 179 HA LEU 25 HA LEU 25 -11.631 2.399 6.269 180 HB2 LEU 25 HB2 LEU 25 -13.666 0.234 5.738 181 HB3 LEU 25 HB3 LEU 25 -12.459 0.292 7.017 182 HG LEU 25 HG LEU 25 -14.889 2.132 6.746 183 HD11 LEU 25 HD11 LEU 25 -15.623 1.000 8.812 184 HD12 LEU 25 HD12 LEU 25 -14.208 -0.067 8.734 185 HD13 LEU 25 HD13 LEU 25 -15.448 -0.134 7.460 186 HD21 LEU 25 HD21 LEU 25 -12.798 2.011 8.970 187 HD22 LEU 25 HD22 LEU 25 -14.293 2.977 8.981 188 HD23 LEU 25 HD23 LEU 25 -13.022 3.356 7.828 189 H TRP 26 H TRP 26 -12.401 1.529 3.005 190 HA TRP 26 HA TRP 26 -9.590 0.891 2.503 191 HB2 TRP 26 HB2 TRP 26 -10.459 -1.200 1.163 192 HB3 TRP 26 HB3 TRP 26 -10.125 -1.280 2.869 193 HD1 TRP 26 HD1 TRP 26 -11.953 -2.143 4.421 194 HE1 TRP 26 HE1 TRP 26 -14.447 -2.714 4.238 195 HE3 TRP 26 HE3 TRP 26 -12.980 0.063 -0.064 196 HZ2 TRP 26 HZ2 TRP 26 -16.503 -2.590 2.221 197 HZ3 TRP 26 HZ3 TRP 26 -15.233 -0.133 -1.082 198 HH2 TRP 26 HH2 TRP 26 -16.973 -1.521 0.007 199 H CYS 27 H CYS 27 -9.552 0.294 -0.091 200 HA CYS 27 HA CYS 27 -11.456 2.062 -1.556 201 HB2 CYS 27 HB2 CYS 27 -8.433 2.085 -1.828 202 HB3 CYS 27 HB3 CYS 27 -9.568 2.833 -2.959 203 H LYS 28 H LYS 28 -12.424 -0.123 -1.774 204 HA LYS 28 HA LYS 28 -11.092 -2.364 -2.846 205 HB2 LYS 28 HB2 LYS 28 -13.007 -2.602 -1.467 206 HB3 LYS 28 HB3 LYS 28 -14.020 -1.643 -2.536 207 HG2 LYS 28 HG2 LYS 28 -12.910 -4.119 -3.776 208 HG3 LYS 28 HG3 LYS 28 -13.977 -4.375 -2.399 209 HD2 LYS 28 HD2 LYS 28 -15.754 -3.030 -3.470 210 HD3 LYS 28 HD3 LYS 28 -14.726 -2.774 -4.885 211 HE2 LYS 28 HE2 LYS 28 -14.626 -5.218 -5.271 212 HE3 LYS 28 HE3 LYS 28 -15.631 -5.495 -3.847 213 HZ1 LYS 28 HZ1 LYS 28 -17.446 -4.299 -4.950 214 HZ2 LYS 28 HZ2 LYS 28 -16.919 -5.500 -5.927 215 HZ3 LYS 28 HZ3 LYS 28 -16.497 -3.961 -6.253 216 H LYS 29 H LYS 29 -13.465 -0.393 -4.541 217 HA LYS 29 HA LYS 29 -12.180 0.162 -6.878 218 HB2 LYS 29 HB2 LYS 29 -13.272 -2.611 -7.044 219 HB3 LYS 29 HB3 LYS 29 -13.872 -1.536 -8.293 220 HG2 LYS 29 HG2 LYS 29 -11.517 -0.888 -8.884 221 HG3 LYS 29 HG3 LYS 29 -10.935 -2.076 -7.719 222 HD2 LYS 29 HD2 LYS 29 -10.855 -3.239 -9.751 223 HD3 LYS 29 HD3 LYS 29 -12.358 -3.804 -9.016 224 HE2 LYS 29 HE2 LYS 29 -13.538 -1.960 -10.393 225 HE3 LYS 29 HE3 LYS 29 -11.991 -1.737 -11.225 226 HZ1 LYS 29 HZ1 LYS 29 -13.256 -3.279 -12.502 227 HZ2 LYS 29 HZ2 LYS 29 -13.650 -4.190 -11.173 228 HZ3 LYS 29 HZ3 LYS 29 -12.098 -4.148 -11.764 229 H LYS 30 H LYS 30 -13.424 1.719 -7.860 230 HA LYS 30 HA LYS 30 -16.276 1.465 -8.178 231 HB2 LYS 30 HB2 LYS 30 -15.700 2.430 -5.707 232 HB3 LYS 30 HB3 LYS 30 -15.707 3.934 -6.594 233 HG2 LYS 30 HG2 LYS 30 -17.992 1.888 -6.635 234 HG3 LYS 30 HG3 LYS 30 -17.885 3.200 -5.479 235 HD2 LYS 30 HD2 LYS 30 -17.727 4.758 -7.575 236 HD3 LYS 30 HD3 LYS 30 -18.383 3.368 -8.455 237 HE2 LYS 30 HE2 LYS 30 -19.620 4.976 -6.184 238 HE3 LYS 30 HE3 LYS 30 -20.139 4.906 -7.867 239 HZ1 LYS 30 HZ1 LYS 30 -21.576 3.587 -6.563 240 HZ2 LYS 30 HZ2 LYS 30 -20.381 2.762 -5.842 241 HZ3 LYS 30 HZ3 LYS 30 -20.714 2.512 -7.453 242 H LEU 31 H LEU 31 -14.068 1.791 -9.972 243 HA LEU 31 HA LEU 31 -15.111 4.059 -11.456 244 HB2 LEU 31 HB2 LEU 31 -13.337 5.158 -10.213 245 HB3 LEU 31 HB3 LEU 31 -12.179 3.946 -10.771 246 HG LEU 31 HG LEU 31 -12.335 4.714 -13.059 247 HD11 LEU 31 HD11 LEU 31 -14.674 5.456 -13.251 248 HD12 LEU 31 HD12 LEU 31 -13.608 6.803 -13.610 249 HD13 LEU 31 HD13 LEU 31 -14.402 6.716 -12.025 250 HD21 LEU 31 HD21 LEU 31 -11.358 6.913 -12.800 251 HD22 LEU 31 HD22 LEU 31 -10.832 5.908 -11.442 252 HD23 LEU 31 HD23 LEU 31 -12.117 7.124 -11.218 253 H LEU 32 H LEU 32 -15.542 3.443 -13.333 254 HA LEU 32 HA LEU 32 -14.197 1.090 -14.622 255 HB2 LEU 32 HB2 LEU 32 -17.058 2.220 -14.613 256 HB3 LEU 32 HB3 LEU 32 -16.564 0.821 -15.557 257 HG LEU 32 HG LEU 32 -16.444 1.003 -12.501 258 HD11 LEU 32 HD11 LEU 32 -18.282 -0.589 -14.330 259 HD12 LEU 32 HD12 LEU 32 -18.733 0.893 -13.458 260 HD13 LEU 32 HD13 LEU 32 -18.310 -0.569 -12.556 261 HD21 LEU 32 HD21 LEU 32 -16.078 -1.515 -12.705 262 HD22 LEU 32 HD22 LEU 32 -14.700 -0.535 -13.194 263 HD23 LEU 32 HD23 LEU 32 -15.756 -1.268 -14.423
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