NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
643885 | 6klm | 36273 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 H1 CYS 1 -10.146 5.721 -5.695 2 H2 CYS 1 H2 CYS 1 -11.061 4.488 -6.298 3 H3 CYS 1 H3 CYS 1 -11.611 5.375 -5.020 4 HA CYS 1 HA CYS 1 -9.870 4.573 -3.609 5 HB2 CYS 1 HB3 CYS 1 -12.100 3.329 -4.017 6 HB3 CYS 1 HB2 CYS 1 -11.138 2.198 -4.982 7 H VAL 2 H VAL 2 -8.197 2.946 -3.284 8 HA VAL 2 HA VAL 2 -6.684 2.358 -5.792 9 HB VAL 2 HB VAL 2 -5.345 2.889 -3.113 10 HG11 VAL 2 HG11 VAL 2 -4.055 1.641 -4.813 11 HG12 VAL 2 HG12 VAL 2 -4.277 2.988 -5.955 12 HG13 VAL 2 HG13 VAL 2 -3.340 3.232 -4.461 13 HG21 VAL 2 HG21 VAL 2 -6.582 4.928 -3.765 14 HG22 VAL 2 HG22 VAL 2 -5.756 4.911 -5.341 15 HG23 VAL 2 HG23 VAL 2 -4.819 5.155 -3.847 16 H SER 3 H SER 3 -7.813 0.380 -5.832 17 HA SER 3 HA SER 3 -7.798 -1.550 -3.728 18 HB2 SER 3 HB2 SER 3 -8.376 -3.167 -5.549 19 HB3 SER 3 HB3 SER 3 -9.400 -1.716 -5.513 20 HG SER 3 HG SER 3 -8.681 -2.245 -7.642 21 H SER 4 H SER 4 -5.600 -1.101 -6.523 22 HA SER 4 HA SER 4 -3.605 -2.778 -5.090 23 HB2 SER 4 HB3 SER 4 -2.979 -3.890 -7.227 24 HB3 SER 4 HB2 SER 4 -4.614 -4.307 -6.671 25 HG SER 4 HG SER 4 -4.542 -3.806 -8.922 26 H GLY 5 H GLY 5 -1.450 -2.328 -5.522 27 HA2 GLY 5 HA2 GLY 5 0.160 -1.112 -6.992 28 HA3 GLY 5 HA3 GLY 5 -1.005 0.227 -7.017 29 H ILE 6 H ILE 6 0.251 1.795 -6.120 30 HA ILE 6 HA ILE 6 1.456 1.253 -3.452 31 HB ILE 6 HB ILE 6 1.856 3.576 -5.385 32 HG12 ILE 6 HG12 ILE 6 3.010 1.689 -6.236 33 HG13 ILE 6 HG13 ILE 6 4.224 2.735 -5.491 34 HG21 ILE 6 HG21 ILE 6 3.769 4.187 -3.772 35 HG22 ILE 6 HG22 ILE 6 2.925 3.164 -2.585 36 HG23 ILE 6 HG23 ILE 6 2.107 4.587 -3.274 37 HD11 ILE 6 HD11 ILE 6 4.933 0.664 -4.766 38 HD12 ILE 6 HD12 ILE 6 3.282 0.007 -4.677 39 HD13 ILE 6 HD13 ILE 6 3.866 1.118 -3.415 40 H VAL 7 H VAL 7 1.030 2.506 -1.663 41 HA VAL 7 HA VAL 7 -1.085 4.550 -1.873 42 HB VAL 7 HB VAL 7 -2.266 3.619 0.155 43 HG11 VAL 7 HG11 VAL 7 -2.933 3.398 -2.349 44 HG12 VAL 7 HG12 VAL 7 -2.537 1.678 -2.121 45 HG13 VAL 7 HG13 VAL 7 -3.796 2.441 -1.122 46 HG21 VAL 7 HG21 VAL 7 -0.339 1.937 0.636 47 HG22 VAL 7 HG22 VAL 7 -2.023 1.425 0.901 48 HG23 VAL 7 HG23 VAL 7 -1.156 0.911 -0.567 49 H ASP 8 H ASP 8 -0.877 6.188 -0.529 50 HA ASP 8 HA ASP 8 1.444 6.124 1.338 51 HB2 ASP 8 HB3 ASP 8 -0.110 8.402 0.058 52 HB3 ASP 8 HB2 ASP 8 1.104 8.641 1.329 53 H ALA 9 H ALA 9 -1.569 5.241 1.484 54 HA ALA 9 HA ALA 9 -1.979 6.215 4.256 55 HB1 ALA 9 HB1 ALA 9 -3.316 7.478 2.319 56 HB2 ALA 9 HB2 ALA 9 -4.058 7.119 3.896 57 HB3 ALA 9 HB3 ALA 9 -4.395 6.074 2.495 58 H CYS 10 H CYS 10 -4.608 5.026 4.457 59 HA CYS 10 HA CYS 10 -4.350 2.163 3.865 60 HB2 CYS 10 HB3 CYS 10 -2.999 2.339 5.917 61 HB3 CYS 10 HB2 CYS 10 -4.328 3.181 6.730 62 H SER 11 H SER 11 -5.998 4.833 5.517 63 HA SER 11 HA SER 11 -8.588 3.479 5.597 64 HB2 SER 11 HB2 SER 11 -7.841 6.389 6.067 65 HB3 SER 11 HB3 SER 11 -9.421 5.655 6.418 66 HG SER 11 HG SER 11 -8.050 5.744 8.272 67 H GLU 12 H GLU 12 -6.782 5.303 3.311 68 HA GLU 12 HA GLU 12 -9.144 6.136 1.747 69 HB2 GLU 12 HB2 GLU 12 -6.162 6.469 1.325 70 HB3 GLU 12 HB3 GLU 12 -7.375 6.986 0.141 71 HG2 GLU 12 HG2 GLU 12 -8.345 8.517 1.792 72 HG3 GLU 12 HG3 GLU 12 -7.162 7.981 3.000 73 H CYS 13 H CYS 13 -6.688 3.616 1.823 74 HA CYS 13 HA CYS 13 -7.125 2.636 -0.871 75 HB2 CYS 13 HB3 CYS 13 -5.053 2.136 0.341 76 HB3 CYS 13 HB2 CYS 13 -5.968 1.276 1.590 77 H CYS 14 H CYS 14 -8.022 0.461 -1.371 78 HA CYS 14 HA CYS 14 -10.708 0.216 -0.263 79 HB2 CYS 14 HB3 CYS 14 -9.436 -1.786 -2.123 80 HB3 CYS 14 HB2 CYS 14 -11.132 -1.296 -1.992 81 H GLU 15 H GLU 15 -7.882 -0.682 1.038 82 HA GLU 15 HA GLU 15 -8.661 -3.391 1.938 83 HB2 GLU 15 HB2 GLU 15 -6.176 -1.694 2.131 84 HB3 GLU 15 HB3 GLU 15 -6.389 -3.089 3.202 85 HG2 GLU 15 HG3 GLU 15 -6.701 -4.516 1.169 86 HG3 GLU 15 HG2 GLU 15 -6.316 -3.098 0.175 87 HA PRO 16 HA PRO 16 -10.383 -1.122 5.534 88 HB2 PRO 16 HB3 PRO 16 -12.014 -3.513 6.048 89 HB3 PRO 16 HB2 PRO 16 -12.547 -1.875 5.578 90 HG2 PRO 16 HG2 PRO 16 -12.738 -4.050 3.947 91 HG3 PRO 16 HG3 PRO 16 -12.541 -2.379 3.349 92 HD2 PRO 16 HD3 PRO 16 -10.472 -4.547 3.663 93 HD3 PRO 16 HD2 PRO 16 -10.706 -3.389 2.316 94 H ASP 17 H ASP 17 -8.945 -1.065 7.143 95 HA ASP 17 HA ASP 17 -7.669 -1.623 8.963 96 HB2 ASP 17 HB2 ASP 17 -9.770 -3.789 9.214 97 HB3 ASP 17 HB3 ASP 17 -8.516 -3.503 10.436 98 H LYS 18 H LYS 18 -7.315 -3.229 6.233 99 HA LYS 18 HA LYS 18 -5.175 -4.972 7.353 100 HB2 LYS 18 HB2 LYS 18 -7.409 -6.149 6.564 101 HB3 LYS 18 HB3 LYS 18 -6.720 -5.911 4.950 102 HG2 LYS 18 HG3 LYS 18 -4.698 -7.153 5.642 103 HG3 LYS 18 HG2 LYS 18 -5.409 -7.395 7.252 104 HD2 LYS 18 HD2 LYS 18 -7.280 -8.633 6.250 105 HD3 LYS 18 HD3 LYS 18 -6.588 -8.385 4.633 106 HE2 LYS 18 HE2 LYS 18 -4.572 -9.631 5.310 107 HE3 LYS 18 HE3 LYS 18 -5.268 -9.884 6.923 108 HZ1 LYS 18 HZ1 LYS 18 -5.599 -11.783 5.506 109 HZ2 LYS 18 HZ2 LYS 18 -7.055 -11.108 5.886 110 HZ3 LYS 18 HZ3 LYS 18 -6.403 -10.874 4.389 111 H CYS 19 H CYS 19 -3.823 -3.175 6.831 112 HA CYS 19 HA CYS 19 -3.277 -2.897 3.901 113 HB2 CYS 19 HB3 CYS 19 -2.606 -0.961 6.144 114 HB3 CYS 19 HB2 CYS 19 -2.288 -0.726 4.418 115 H ILE 20 H ILE 20 -1.091 -2.797 3.209 116 HA ILE 20 HA ILE 20 0.749 -4.288 5.016 117 HB ILE 20 HB ILE 20 1.228 -3.796 2.053 118 HG12 ILE 20 HG12 ILE 20 0.130 -6.428 2.894 119 HG13 ILE 20 HG13 ILE 20 -1.023 -5.084 2.889 120 HG21 ILE 20 HG21 ILE 20 3.130 -4.600 3.426 121 HG22 ILE 20 HG22 ILE 20 2.156 -5.999 3.939 122 HG23 ILE 20 HG23 ILE 20 2.616 -5.814 2.230 123 HD11 ILE 20 HD11 ILE 20 -0.110 -6.650 0.694 124 HD12 ILE 20 HD12 ILE 20 0.487 -4.991 0.455 125 HD13 ILE 20 HD13 ILE 20 -1.253 -5.286 0.680 126 H ILE 21 H ILE 21 2.967 -3.644 5.170 127 HA ILE 21 HA ILE 21 3.222 -0.696 5.233 128 HB ILE 21 HB ILE 21 5.311 -2.628 6.301 129 HG12 ILE 21 HG12 ILE 21 3.947 -2.068 8.548 130 HG13 ILE 21 HG13 ILE 21 2.591 -2.080 7.408 131 HG21 ILE 21 HG21 ILE 21 5.264 -0.650 8.085 132 HG22 ILE 21 HG22 ILE 21 4.575 0.248 6.711 133 HG23 ILE 21 HG23 ILE 21 6.177 -0.512 6.564 134 HD11 ILE 21 HD11 ILE 21 2.893 -4.271 8.450 135 HD12 ILE 21 HD12 ILE 21 3.213 -4.355 6.702 136 HD13 ILE 21 HD13 ILE 21 4.569 -4.336 7.855 137 H MET 22 H MET 22 5.379 0.246 4.713 138 HA MET 22 HA MET 22 5.994 0.123 1.999 139 HB2 MET 22 HB3 MET 22 7.876 0.880 4.263 140 HB3 MET 22 HB2 MET 22 8.066 1.321 2.559 141 HG2 MET 22 HG2 MET 22 6.205 2.779 2.609 142 HG3 MET 22 HG3 MET 22 5.638 2.137 4.163 143 HE1 MET 22 HE1 MET 22 6.774 5.933 4.681 144 HE2 MET 22 HE2 MET 22 5.691 5.022 3.602 145 HE3 MET 22 HE3 MET 22 5.582 4.802 5.365 146 H LEU 23 H LEU 23 6.938 -1.296 0.701 147 HA LEU 23 HA LEU 23 9.273 -2.823 1.605 148 HB2 LEU 23 HB3 LEU 23 7.887 -4.475 2.383 149 HB3 LEU 23 HB2 LEU 23 6.586 -4.067 1.261 150 HG LEU 23 HG LEU 23 8.206 -5.076 -0.550 151 HD11 LEU 23 HD11 LEU 23 10.115 -5.375 0.983 152 HD12 LEU 23 HD12 LEU 23 9.570 -6.922 0.293 153 HD13 LEU 23 HD13 LEU 23 9.142 -6.495 1.966 154 HD21 LEU 23 HD21 LEU 23 5.980 -5.934 0.067 155 HD22 LEU 23 HD22 LEU 23 7.136 -7.251 -0.247 156 HD23 LEU 23 HD23 LEU 23 6.707 -6.823 1.427 157 HA PRO 24 HA PRO 24 8.717 -3.635 -3.131 158 HB2 PRO 24 HB3 PRO 24 6.588 -1.787 -4.068 159 HB3 PRO 24 HB2 PRO 24 6.794 -3.533 -4.388 160 HG2 PRO 24 HG2 PRO 24 4.844 -2.597 -2.802 161 HG3 PRO 24 HG3 PRO 24 5.675 -4.144 -2.471 162 HD2 PRO 24 HD2 PRO 24 6.119 -1.439 -1.200 163 HD3 PRO 24 HD3 PRO 24 5.994 -3.055 -0.435 164 H THR 25 H THR 25 9.258 -2.407 -5.164 165 HA THR 25 HA THR 25 10.625 -0.912 -6.229 166 HB THR 25 HB THR 25 10.117 1.527 -5.995 167 HG1 THR 25 HG1 THR 25 9.467 1.356 -3.723 168 HG21 THR 25 HG21 THR 25 7.816 1.393 -6.866 169 HG22 THR 25 HG22 THR 25 8.861 0.139 -7.576 170 HG23 THR 25 HG23 THR 25 7.701 -0.290 -6.296 171 H TRP 26 H TRP 26 12.230 0.977 -6.017 172 HA TRP 26 HA TRP 26 14.231 0.264 -4.135 173 HB2 TRP 26 HB2 TRP 26 14.202 3.052 -5.234 174 HB3 TRP 26 HB3 TRP 26 15.553 1.919 -5.053 175 HD1 TRP 26 HD1 TRP 26 12.434 2.457 -7.307 176 HE1 TRP 26 HE1 TRP 26 12.867 1.424 -9.617 177 HE3 TRP 26 HE3 TRP 26 17.054 0.449 -6.397 178 HZ2 TRP 26 HZ2 TRP 26 14.938 0.013 -10.891 179 HZ3 TRP 26 HZ3 TRP 26 18.210 -0.713 -8.235 180 HH2 TRP 26 HH2 TRP 26 17.164 -0.926 -10.451 181 HA PRO 27 HA PRO 27 12.939 3.833 -1.266 182 HB2 PRO 27 HB2 PRO 27 10.487 5.165 -2.030 183 HB3 PRO 27 HB3 PRO 27 12.148 5.815 -2.102 184 HG2 PRO 27 HG3 PRO 27 10.544 5.281 -4.296 185 HG3 PRO 27 HG2 PRO 27 12.323 5.422 -4.331 186 HD2 PRO 27 HD2 PRO 27 10.602 2.948 -4.249 187 HD3 PRO 27 HD3 PRO 27 12.112 3.266 -5.162 188 HA PRO 28 HA PRO 28 9.804 1.597 1.034 189 HB2 PRO 28 HB3 PRO 28 9.302 3.784 2.936 190 HB3 PRO 28 HB2 PRO 28 10.211 2.268 3.190 191 HG2 PRO 28 HG2 PRO 28 11.378 4.726 3.127 192 HG3 PRO 28 HG3 PRO 28 12.210 3.227 2.629 193 HD2 PRO 28 HD2 PRO 28 10.926 5.348 0.914 194 HD3 PRO 28 HD3 PRO 28 12.474 4.475 0.690 195 H ARG 29 H ARG 29 7.839 1.215 0.202 196 HA ARG 29 HA ARG 29 5.750 3.324 0.377 197 HB2 ARG 29 HB2 ARG 29 6.571 1.860 -2.144 198 HB3 ARG 29 HB3 ARG 29 4.977 2.612 -1.957 199 HG2 ARG 29 HG2 ARG 29 5.897 4.787 -1.853 200 HG3 ARG 29 HG3 ARG 29 7.537 4.173 -1.555 201 HD2 ARG 29 HD3 ARG 29 7.675 3.302 -3.812 202 HD3 ARG 29 HD2 ARG 29 5.975 3.713 -4.115 203 HE ARG 29 HE ARG 29 7.526 6.032 -3.357 204 HH11 ARG 29 HH11 ARG 29 6.755 3.920 -6.098 205 HH12 ARG 29 HH12 ARG 29 7.099 5.159 -7.284 206 HH21 ARG 29 HH21 ARG 29 7.958 7.602 -4.919 207 HH22 ARG 29 HH22 ARG 29 7.776 7.232 -6.619 208 H TYR 30 H TYR 30 3.698 2.586 0.717 209 HA TYR 30 HA TYR 30 3.386 -0.092 1.783 210 HB2 TYR 30 HB3 TYR 30 1.311 2.039 1.132 211 HB3 TYR 30 HB2 TYR 30 1.014 0.568 2.069 212 HD1 TYR 30 HD1 TYR 30 1.485 0.487 4.398 213 HD2 TYR 30 HD2 TYR 30 2.871 3.791 2.093 214 HE1 TYR 30 HE1 TYR 30 2.065 1.683 6.463 215 HE2 TYR 30 HE2 TYR 30 3.459 4.984 4.155 216 HH TYR 30 HH TYR 30 3.767 3.567 7.084 217 H VAL 31 H VAL 31 1.377 -1.452 1.097 218 HA VAL 31 HA VAL 31 1.010 -1.404 -1.852 219 HB VAL 31 HB VAL 31 1.158 -4.160 -0.925 220 HG11 VAL 31 HG11 VAL 31 1.079 -3.403 -3.269 221 HG12 VAL 31 HG12 VAL 31 2.690 -2.670 -3.074 222 HG13 VAL 31 HG13 VAL 31 2.492 -4.434 -2.937 223 HG21 VAL 31 HG21 VAL 31 2.899 -3.570 0.581 224 HG22 VAL 31 HG22 VAL 31 3.688 -4.247 -0.863 225 HG23 VAL 31 HG23 VAL 31 3.659 -2.486 -0.608 226 H CYS 32 H CYS 32 -0.880 -2.153 -2.613 227 HA CYS 32 HA CYS 32 -2.883 -3.139 -0.625 228 HB2 CYS 32 HB2 CYS 32 -3.140 -0.987 -2.727 229 HB3 CYS 32 HB3 CYS 32 -4.558 -1.901 -2.191 230 H SER 33 H SER 33 -3.923 -4.963 -1.214 231 HA SER 33 HA SER 33 -3.681 -5.811 -4.074 232 HB2 SER 33 HB2 SER 33 -3.292 -7.476 -1.573 233 HB3 SER 33 HB3 SER 33 -3.481 -8.163 -3.200 234 HG SER 33 HG SER 33 -1.269 -7.873 -2.609 235 H VAL 34 H VAL 34 -5.817 -4.622 -2.194 236 HA VAL 34 HA VAL 34 -7.976 -6.521 -3.003 237 HB VAL 34 HB VAL 34 -8.207 -4.826 -0.498 238 HG11 VAL 34 HG11 VAL 34 -10.269 -5.747 -1.502 239 HG12 VAL 34 HG12 VAL 34 -9.596 -7.387 -1.351 240 HG13 VAL 34 HG13 VAL 34 -9.942 -6.429 0.109 241 HG21 VAL 34 HG21 VAL 34 -6.233 -6.283 -0.194 242 HG22 VAL 34 HG22 VAL 34 -7.234 -7.702 -0.585 243 HG23 VAL 34 HG23 VAL 34 -7.580 -6.743 0.875 Start of MODEL 2 1 H1 CYS 1 H1 CYS 1 -12.242 1.820 -5.579 2 H2 CYS 1 H2 CYS 1 -11.326 1.173 -4.370 3 H3 CYS 1 H3 CYS 1 -12.666 2.062 -4.003 4 HA CYS 1 HA CYS 1 -11.533 3.936 -5.259 5 HB2 CYS 1 HB3 CYS 1 -10.421 4.678 -3.189 6 HB3 CYS 1 HB2 CYS 1 -12.043 4.035 -2.895 7 H VAL 2 H VAL 2 -9.180 1.850 -3.483 8 HA VAL 2 HA VAL 2 -7.381 2.032 -5.851 9 HB VAL 2 HB VAL 2 -6.313 2.202 -3.008 10 HG11 VAL 2 HG11 VAL 2 -5.154 2.096 -5.710 11 HG12 VAL 2 HG12 VAL 2 -4.426 1.715 -4.131 12 HG13 VAL 2 HG13 VAL 2 -4.498 3.402 -4.693 13 HG21 VAL 2 HG21 VAL 2 -7.698 4.206 -3.432 14 HG22 VAL 2 HG22 VAL 2 -6.756 4.530 -4.907 15 HG23 VAL 2 HG23 VAL 2 -5.966 4.599 -3.313 16 H SER 3 H SER 3 -8.125 -0.001 -6.412 17 HA SER 3 HA SER 3 -8.137 -2.288 -4.698 18 HB2 SER 3 HB2 SER 3 -8.243 -3.574 -6.847 19 HB3 SER 3 HB3 SER 3 -9.457 -2.284 -6.705 20 HG SER 3 HG SER 3 -8.406 -2.295 -8.761 21 H SER 4 H SER 4 -5.693 -1.145 -7.075 22 HA SER 4 HA SER 4 -3.629 -2.668 -5.591 23 HB2 SER 4 HB3 SER 4 -3.959 -2.939 -8.603 24 HB3 SER 4 HB2 SER 4 -2.714 -3.704 -7.591 25 HG SER 4 HG SER 4 -4.472 -5.123 -8.060 26 H GLY 5 H GLY 5 -1.475 -1.991 -5.995 27 HA2 GLY 5 HA3 GLY 5 -0.043 -0.465 -7.400 28 HA3 GLY 5 HA2 GLY 5 -1.341 0.732 -7.222 29 H ILE 6 H ILE 6 0.330 2.140 -6.406 30 HA ILE 6 HA ILE 6 1.222 1.484 -3.643 31 HB ILE 6 HB ILE 6 2.180 3.656 -5.558 32 HG12 ILE 6 HG12 ILE 6 3.002 1.566 -6.331 33 HG13 ILE 6 HG13 ILE 6 4.343 2.373 -5.509 34 HG21 ILE 6 HG21 ILE 6 4.070 3.882 -3.815 35 HG22 ILE 6 HG22 ILE 6 2.495 4.621 -3.439 36 HG23 ILE 6 HG23 ILE 6 2.951 3.070 -2.694 37 HD11 ILE 6 HD11 ILE 6 4.592 0.218 -4.725 38 HD12 ILE 6 HD12 ILE 6 2.843 -0.112 -4.752 39 HD13 ILE 6 HD13 ILE 6 3.540 0.889 -3.455 40 H VAL 7 H VAL 7 0.873 2.838 -1.928 41 HA VAL 7 HA VAL 7 -0.949 5.136 -2.338 42 HB VAL 7 HB VAL 7 -2.304 4.412 -0.316 43 HG11 VAL 7 HG11 VAL 7 -3.140 4.315 -2.632 44 HG12 VAL 7 HG12 VAL 7 -2.519 2.653 -2.773 45 HG13 VAL 7 HG13 VAL 7 -3.817 3.022 -1.612 46 HG21 VAL 7 HG21 VAL 7 -0.790 2.643 0.525 47 HG22 VAL 7 HG22 VAL 7 -2.439 2.039 0.240 48 HG23 VAL 7 HG23 VAL 7 -1.143 1.669 -0.922 49 H ASP 8 H ASP 8 -0.731 6.788 -0.928 50 HA ASP 8 HA ASP 8 1.641 6.679 0.839 51 HB2 ASP 8 HB2 ASP 8 -0.159 8.934 -0.101 52 HB3 ASP 8 HB3 ASP 8 1.138 9.162 1.087 53 H ALA 9 H ALA 9 -1.281 5.563 1.190 54 HA ALA 9 HA ALA 9 -1.481 6.279 4.062 55 HB1 ALA 9 HB1 ALA 9 -3.088 7.585 2.366 56 HB2 ALA 9 HB2 ALA 9 -4.046 6.094 2.534 57 HB3 ALA 9 HB3 ALA 9 -3.637 7.057 3.975 58 H CYS 10 H CYS 10 -3.968 4.874 4.429 59 HA CYS 10 HA CYS 10 -3.673 2.122 3.492 60 HB2 CYS 10 HB2 CYS 10 -1.978 2.108 5.253 61 HB3 CYS 10 HB3 CYS 10 -3.128 2.798 6.409 62 H SER 11 H SER 11 -5.108 4.522 5.648 63 HA SER 11 HA SER 11 -7.589 2.995 6.020 64 HB2 SER 11 HB3 SER 11 -6.860 5.847 6.784 65 HB3 SER 11 HB2 SER 11 -8.332 4.984 7.279 66 HG SER 11 HG SER 11 -6.668 4.885 8.873 67 H GLU 12 H GLU 12 -6.285 5.331 3.814 68 HA GLU 12 HA GLU 12 -8.883 6.260 2.812 69 HB2 GLU 12 HB2 GLU 12 -6.025 6.667 1.896 70 HB3 GLU 12 HB3 GLU 12 -7.417 7.296 0.999 71 HG2 GLU 12 HG2 GLU 12 -8.087 8.608 2.969 72 HG3 GLU 12 HG3 GLU 12 -6.691 7.978 3.865 73 H CYS 13 H CYS 13 -6.505 3.782 2.082 74 HA CYS 13 HA CYS 13 -7.549 3.114 -0.558 75 HB2 CYS 13 HB2 CYS 13 -5.211 2.658 0.148 76 HB3 CYS 13 HB3 CYS 13 -5.808 1.490 1.338 77 H CYS 14 H CYS 14 -8.430 0.914 -1.045 78 HA CYS 14 HA CYS 14 -10.679 0.381 0.777 79 HB2 CYS 14 HB3 CYS 14 -9.975 -0.576 -2.009 80 HB3 CYS 14 HB2 CYS 14 -11.381 -1.166 -1.106 81 H GLU 15 H GLU 15 -7.929 -0.354 1.546 82 HA GLU 15 HA GLU 15 -8.327 -3.292 1.916 83 HB2 GLU 15 HB3 GLU 15 -5.830 -1.673 1.402 84 HB3 GLU 15 HB2 GLU 15 -5.743 -3.214 2.272 85 HG2 GLU 15 HG2 GLU 15 -7.141 -3.043 -0.385 86 HG3 GLU 15 HG3 GLU 15 -5.374 -3.173 -0.303 87 HA PRO 16 HA PRO 16 -8.437 -1.400 6.124 88 HB2 PRO 16 HB2 PRO 16 -10.500 -3.353 6.822 89 HB3 PRO 16 HB3 PRO 16 -10.644 -1.579 6.683 90 HG2 PRO 16 HG3 PRO 16 -11.840 -3.361 4.981 91 HG3 PRO 16 HG2 PRO 16 -11.412 -1.685 4.542 92 HD2 PRO 16 HD3 PRO 16 -9.957 -4.253 3.942 93 HD3 PRO 16 HD2 PRO 16 -10.234 -2.832 2.885 94 H ASP 17 H ASP 17 -8.575 -4.873 5.273 95 HA ASP 17 HA ASP 17 -7.011 -5.482 7.743 96 HB2 ASP 17 HB2 ASP 17 -7.774 -7.851 7.384 97 HB3 ASP 17 HB3 ASP 17 -9.059 -6.701 7.793 98 H LYS 18 H LYS 18 -7.182 -6.041 4.232 99 HA LYS 18 HA LYS 18 -4.622 -7.509 4.276 100 HB2 LYS 18 HB2 LYS 18 -6.778 -7.948 2.817 101 HB3 LYS 18 HB3 LYS 18 -6.060 -6.726 1.755 102 HG2 LYS 18 HG2 LYS 18 -4.012 -8.086 1.581 103 HG3 LYS 18 HG3 LYS 18 -4.735 -9.310 2.646 104 HD2 LYS 18 HD2 LYS 18 -6.545 -9.659 1.009 105 HD3 LYS 18 HD3 LYS 18 -5.820 -8.436 -0.056 106 HE2 LYS 18 HE3 LYS 18 -3.776 -9.810 -0.230 107 HE3 LYS 18 HE2 LYS 18 -4.510 -11.029 0.831 108 HZ1 LYS 18 HZ1 LYS 18 -4.733 -11.613 -1.478 109 HZ2 LYS 18 HZ2 LYS 18 -6.220 -11.349 -0.817 110 HZ3 LYS 18 HZ3 LYS 18 -5.543 -10.215 -1.805 111 H CYS 19 H CYS 19 -4.538 -4.781 5.162 112 HA CYS 19 HA CYS 19 -3.243 -3.277 2.961 113 HB2 CYS 19 HB3 CYS 19 -4.838 -2.143 4.493 114 HB3 CYS 19 HB2 CYS 19 -3.773 -2.522 5.855 115 H ILE 20 H ILE 20 -1.106 -3.228 2.654 116 HA ILE 20 HA ILE 20 0.616 -4.347 4.824 117 HB ILE 20 HB ILE 20 1.498 -4.113 1.930 118 HG12 ILE 20 HG13 ILE 20 0.922 -6.747 2.099 119 HG13 ILE 20 HG12 ILE 20 -0.375 -6.101 3.118 120 HG21 ILE 20 HG21 ILE 20 3.204 -4.552 3.669 121 HG22 ILE 20 HG22 ILE 20 2.309 -6.008 4.164 122 HG23 ILE 20 HG23 ILE 20 3.031 -5.917 2.540 123 HD11 ILE 20 HD11 ILE 20 -0.829 -6.431 0.594 124 HD12 ILE 20 HD12 ILE 20 0.140 -4.953 0.382 125 HD13 ILE 20 HD13 ILE 20 -1.346 -4.910 1.361 126 H ILE 21 H ILE 21 2.662 -3.400 5.207 127 HA ILE 21 HA ILE 21 2.586 -0.461 4.953 128 HB ILE 21 HB ILE 21 4.829 -1.927 6.343 129 HG12 ILE 21 HG12 ILE 21 2.922 -3.151 7.178 130 HG13 ILE 21 HG13 ILE 21 3.543 -2.090 8.447 131 HG21 ILE 21 HG21 ILE 21 4.125 0.092 8.003 132 HG22 ILE 21 HG22 ILE 21 3.581 0.762 6.446 133 HG23 ILE 21 HG23 ILE 21 5.278 0.268 6.658 134 HD11 ILE 21 HD11 ILE 21 1.094 -2.150 8.463 135 HD12 ILE 21 HD12 ILE 21 1.053 -1.606 6.769 136 HD13 ILE 21 HD13 ILE 21 1.671 -0.521 8.038 137 H MET 22 H MET 22 4.721 0.668 4.572 138 HA MET 22 HA MET 22 5.603 0.327 1.936 139 HB2 MET 22 HB3 MET 22 6.986 1.634 4.301 140 HB3 MET 22 HB2 MET 22 7.536 1.782 2.624 141 HG2 MET 22 HG2 MET 22 5.362 2.795 2.019 142 HG3 MET 22 HG3 MET 22 4.866 2.710 3.720 143 HE1 MET 22 HE1 MET 22 5.763 6.538 2.573 144 HE2 MET 22 HE2 MET 22 5.376 5.237 1.422 145 HE3 MET 22 HE3 MET 22 4.403 5.437 2.898 146 H LEU 23 H LEU 23 6.610 -1.301 1.013 147 HA LEU 23 HA LEU 23 9.069 -2.363 2.247 148 HB2 LEU 23 HB3 LEU 23 7.792 -4.015 3.182 149 HB3 LEU 23 HB2 LEU 23 6.533 -3.894 1.949 150 HG LEU 23 HG LEU 23 8.341 -5.001 0.390 151 HD11 LEU 23 HD11 LEU 23 10.170 -4.898 2.042 152 HD12 LEU 23 HD12 LEU 23 9.235 -5.950 3.132 153 HD13 LEU 23 HD13 LEU 23 9.801 -6.573 1.564 154 HD21 LEU 23 HD21 LEU 23 6.161 -5.963 1.020 155 HD22 LEU 23 HD22 LEU 23 6.875 -6.576 2.530 156 HD23 LEU 23 HD23 LEU 23 7.440 -7.199 0.962 157 HA PRO 24 HA PRO 24 8.849 -3.955 -2.376 158 HB2 PRO 24 HB2 PRO 24 6.757 -2.160 -3.559 159 HB3 PRO 24 HB3 PRO 24 7.083 -3.891 -3.862 160 HG2 PRO 24 HG3 PRO 24 4.978 -3.130 -2.440 161 HG3 PRO 24 HG2 PRO 24 5.925 -4.575 -1.980 162 HD2 PRO 24 HD2 PRO 24 5.979 -1.795 -0.798 163 HD3 PRO 24 HD3 PRO 24 5.992 -3.386 0.026 164 H THR 25 H THR 25 9.599 -2.949 -4.463 165 HA THR 25 HA THR 25 11.089 -1.579 -5.534 166 HB THR 25 HB THR 25 10.597 0.878 -5.597 167 HG1 THR 25 HG1 THR 25 9.708 0.947 -3.407 168 HG21 THR 25 HG21 THR 25 8.400 0.660 -6.694 169 HG22 THR 25 HG22 THR 25 9.499 -0.660 -7.160 170 HG23 THR 25 HG23 THR 25 8.204 -0.956 -5.975 171 H TRP 26 H TRP 26 12.683 0.339 -5.345 172 HA TRP 26 HA TRP 26 14.473 -0.199 -3.204 173 HB2 TRP 26 HB2 TRP 26 14.607 2.464 -4.570 174 HB3 TRP 26 HB3 TRP 26 15.911 1.341 -4.144 175 HD1 TRP 26 HD1 TRP 26 13.037 1.669 -6.743 176 HE1 TRP 26 HE1 TRP 26 13.687 0.417 -8.889 177 HE3 TRP 26 HE3 TRP 26 17.525 -0.244 -5.189 178 HZ2 TRP 26 HZ2 TRP 26 15.860 -1.108 -9.810 179 HZ3 TRP 26 HZ3 TRP 26 18.847 -1.576 -6.784 180 HH2 TRP 26 HH2 TRP 26 18.024 -2.000 -9.064 181 HA PRO 27 HA PRO 27 12.947 3.638 -0.848 182 HB2 PRO 27 HB2 PRO 27 10.666 4.972 -2.006 183 HB3 PRO 27 HB3 PRO 27 12.358 5.542 -1.985 184 HG2 PRO 27 HG3 PRO 27 10.924 4.810 -4.253 185 HG3 PRO 27 HG2 PRO 27 12.702 4.923 -4.139 186 HD2 PRO 27 HD2 PRO 27 10.925 2.495 -3.969 187 HD3 PRO 27 HD3 PRO 27 12.529 2.693 -4.745 188 HA PRO 28 HA PRO 28 9.475 1.751 1.285 189 HB2 PRO 28 HB3 PRO 28 8.783 4.186 2.797 190 HB3 PRO 28 HB2 PRO 28 9.574 2.693 3.377 191 HG2 PRO 28 HG2 PRO 28 10.857 5.078 3.184 192 HG3 PRO 28 HG3 PRO 28 11.678 3.506 2.979 193 HD2 PRO 28 HD3 PRO 28 10.708 5.436 0.877 194 HD3 PRO 28 HD2 PRO 28 12.253 4.531 0.958 195 H ARG 29 H ARG 29 7.586 1.277 0.334 196 HA ARG 29 HA ARG 29 5.576 3.421 -0.096 197 HB2 ARG 29 HB2 ARG 29 6.673 1.593 -2.245 198 HB3 ARG 29 HB3 ARG 29 5.084 2.363 -2.383 199 HG2 ARG 29 HG2 ARG 29 6.054 4.550 -2.397 200 HG3 ARG 29 HG3 ARG 29 7.648 3.916 -1.937 201 HD2 ARG 29 HD2 ARG 29 7.787 2.711 -4.079 202 HD3 ARG 29 HD3 ARG 29 6.190 3.337 -4.539 203 HE ARG 29 HE ARG 29 7.930 5.510 -3.880 204 HH11 ARG 29 HH11 ARG 29 7.401 3.105 -6.430 205 HH12 ARG 29 HH12 ARG 29 8.092 4.120 -7.676 206 HH21 ARG 29 HH21 ARG 29 8.813 6.788 -5.516 207 HH22 ARG 29 HH22 ARG 29 8.887 6.195 -7.160 208 H TYR 30 H TYR 30 3.545 2.816 0.348 209 HA TYR 30 HA TYR 30 2.992 0.206 1.500 210 HB2 TYR 30 HB2 TYR 30 1.325 2.633 0.817 211 HB3 TYR 30 HB3 TYR 30 0.572 1.141 1.400 212 HD1 TYR 30 HD1 TYR 30 0.862 0.433 3.716 213 HD2 TYR 30 HD2 TYR 30 2.683 4.017 2.308 214 HE1 TYR 30 HE1 TYR 30 1.261 1.137 6.033 215 HE2 TYR 30 HE2 TYR 30 3.089 4.721 4.627 216 HH TYR 30 HH TYR 30 3.366 3.481 6.908 217 H VAL 31 H VAL 31 1.090 -1.169 0.771 218 HA VAL 31 HA VAL 31 0.592 -1.050 -2.148 219 HB VAL 31 HB VAL 31 0.914 -3.824 -1.544 220 HG11 VAL 31 HG11 VAL 31 1.005 -2.739 -3.755 221 HG12 VAL 31 HG12 VAL 31 2.562 -1.998 -3.315 222 HG13 VAL 31 HG13 VAL 31 2.424 -3.768 -3.448 223 HG21 VAL 31 HG21 VAL 31 3.327 -3.987 -1.142 224 HG22 VAL 31 HG22 VAL 31 2.497 -3.198 0.220 225 HG23 VAL 31 HG23 VAL 31 3.420 -2.221 -0.946 226 H CYS 32 H CYS 32 -1.355 -1.722 -2.781 227 HA CYS 32 HA CYS 32 -3.163 -2.807 -0.662 228 HB2 CYS 32 HB3 CYS 32 -3.716 -0.997 -3.033 229 HB3 CYS 32 HB2 CYS 32 -4.994 -1.823 -2.126 230 H SER 33 H SER 33 -3.810 -4.821 -0.918 231 HA SER 33 HA SER 33 -3.507 -6.093 -3.594 232 HB2 SER 33 HB3 SER 33 -3.713 -7.238 -0.795 233 HB3 SER 33 HB2 SER 33 -3.696 -8.226 -2.271 234 HG SER 33 HG SER 33 -1.597 -7.970 -1.351 235 H VAL 34 H VAL 34 -5.783 -4.399 -2.470 236 HA VAL 34 HA VAL 34 -8.052 -4.285 -2.420 237 HB VAL 34 HB VAL 34 -7.563 -4.502 -4.860 238 HG11 VAL 34 HG11 VAL 34 -8.594 -6.639 -5.932 239 HG12 VAL 34 HG12 VAL 34 -6.908 -6.657 -5.362 240 HG13 VAL 34 HG13 VAL 34 -8.190 -7.396 -4.373 241 HG21 VAL 34 HG21 VAL 34 -9.771 -3.845 -3.980 242 HG22 VAL 34 HG22 VAL 34 -10.284 -5.548 -4.045 243 HG23 VAL 34 HG23 VAL 34 -9.871 -4.684 -5.546 Start of MODEL 3 1 H1 CYS 1 H1 CYS 1 -12.684 2.149 -5.184 2 H2 CYS 1 H2 CYS 1 -11.456 1.069 -4.970 3 H3 CYS 1 H3 CYS 1 -12.420 1.484 -3.698 4 HA CYS 1 HA CYS 1 -11.497 3.861 -4.574 5 HB2 CYS 1 HB3 CYS 1 -9.863 3.350 -2.459 6 HB3 CYS 1 HB2 CYS 1 -11.553 3.859 -2.331 7 H VAL 2 H VAL 2 -9.059 1.537 -3.405 8 HA VAL 2 HA VAL 2 -7.489 1.900 -5.899 9 HB VAL 2 HB VAL 2 -6.231 2.213 -3.136 10 HG11 VAL 2 HG11 VAL 2 -5.192 2.032 -5.903 11 HG12 VAL 2 HG12 VAL 2 -4.488 3.328 -4.907 12 HG13 VAL 2 HG13 VAL 2 -4.412 1.638 -4.352 13 HG21 VAL 2 HG21 VAL 2 -7.678 4.158 -3.626 14 HG22 VAL 2 HG22 VAL 2 -5.952 4.590 -3.609 15 HG23 VAL 2 HG23 VAL 2 -6.808 4.404 -5.158 16 H SER 3 H SER 3 -8.053 -0.184 -6.436 17 HA SER 3 HA SER 3 -7.663 -2.425 -4.631 18 HB2 SER 3 HB2 SER 3 -8.145 -2.339 -7.627 19 HB3 SER 3 HB3 SER 3 -8.199 -3.801 -6.618 20 HG SER 3 HG SER 3 -10.286 -2.870 -6.949 21 H SER 4 H SER 4 -5.833 -1.111 -7.424 22 HA SER 4 HA SER 4 -3.506 -2.738 -6.509 23 HB2 SER 4 HB2 SER 4 -2.915 -3.136 -8.915 24 HB3 SER 4 HB3 SER 4 -4.384 -3.978 -8.376 25 HG SER 4 HG SER 4 -4.658 -2.929 -10.414 26 H GLY 5 H GLY 5 -1.665 -1.663 -6.332 27 HA2 GLY 5 HA2 GLY 5 -0.208 -0.019 -7.672 28 HA3 GLY 5 HA3 GLY 5 -1.575 1.095 -7.480 29 H ILE 6 H ILE 6 0.409 2.304 -6.605 30 HA ILE 6 HA ILE 6 1.037 1.603 -3.799 31 HB ILE 6 HB ILE 6 2.110 3.827 -5.590 32 HG12 ILE 6 HG12 ILE 6 2.880 1.673 -6.354 33 HG13 ILE 6 HG13 ILE 6 4.222 2.540 -5.598 34 HG21 ILE 6 HG21 ILE 6 3.929 3.966 -3.765 35 HG22 ILE 6 HG22 ILE 6 2.756 3.131 -2.718 36 HG23 ILE 6 HG23 ILE 6 2.350 4.714 -3.425 37 HD11 ILE 6 HD11 ILE 6 4.291 0.171 -5.016 38 HD12 ILE 6 HD12 ILE 6 3.951 1.141 -3.563 39 HD13 ILE 6 HD13 ILE 6 2.635 0.255 -4.370 40 H VAL 7 H VAL 7 0.604 2.880 -2.050 41 HA VAL 7 HA VAL 7 -1.250 5.165 -2.484 42 HB VAL 7 HB VAL 7 -2.522 4.427 -0.412 43 HG11 VAL 7 HG11 VAL 7 -3.407 4.250 -2.703 44 HG12 VAL 7 HG12 VAL 7 -4.001 2.948 -1.644 45 HG13 VAL 7 HG13 VAL 7 -2.717 2.614 -2.831 46 HG21 VAL 7 HG21 VAL 7 -0.909 2.745 0.424 47 HG22 VAL 7 HG22 VAL 7 -1.252 1.728 -0.997 48 HG23 VAL 7 HG23 VAL 7 -2.536 2.062 0.190 49 H ASP 8 H ASP 8 -1.078 6.859 -1.132 50 HA ASP 8 HA ASP 8 1.293 6.880 0.648 51 HB2 ASP 8 HB2 ASP 8 -0.520 9.062 -0.436 52 HB3 ASP 8 HB3 ASP 8 0.754 9.367 0.761 53 H ALA 9 H ALA 9 -1.587 5.715 1.015 54 HA ALA 9 HA ALA 9 -1.919 6.671 3.812 55 HB1 ALA 9 HB1 ALA 9 -3.559 7.725 2.103 56 HB2 ALA 9 HB2 ALA 9 -4.311 6.113 2.053 57 HB3 ALA 9 HB3 ALA 9 -4.232 7.010 3.588 58 H CYS 10 H CYS 10 -4.202 5.069 4.372 59 HA CYS 10 HA CYS 10 -3.579 2.277 3.718 60 HB2 CYS 10 HB3 CYS 10 -1.974 2.766 5.556 61 HB3 CYS 10 HB2 CYS 10 -3.329 3.263 6.582 62 H SER 11 H SER 11 -5.364 4.630 5.697 63 HA SER 11 HA SER 11 -7.670 2.820 5.995 64 HB2 SER 11 HB3 SER 11 -7.269 5.711 6.851 65 HB3 SER 11 HB2 SER 11 -8.656 4.685 7.276 66 HG SER 11 HG SER 11 -7.038 4.718 8.921 67 H GLU 12 H GLU 12 -6.524 5.166 3.778 68 HA GLU 12 HA GLU 12 -9.190 5.913 2.767 69 HB2 GLU 12 HB2 GLU 12 -6.366 6.623 1.950 70 HB3 GLU 12 HB3 GLU 12 -7.778 7.105 0.995 71 HG2 GLU 12 HG3 GLU 12 -8.668 8.323 2.948 72 HG3 GLU 12 HG2 GLU 12 -7.244 7.839 3.888 73 H CYS 13 H CYS 13 -6.584 3.666 2.051 74 HA CYS 13 HA CYS 13 -7.514 2.993 -0.632 75 HB2 CYS 13 HB3 CYS 13 -5.137 2.730 0.364 76 HB3 CYS 13 HB2 CYS 13 -5.766 1.254 1.116 77 H CYS 14 H CYS 14 -7.984 0.554 -1.106 78 HA CYS 14 HA CYS 14 -10.422 -0.107 0.348 79 HB2 CYS 14 HB2 CYS 14 -9.017 -1.722 -1.791 80 HB3 CYS 14 HB3 CYS 14 -10.711 -1.847 -1.294 81 H GLU 15 H GLU 15 -7.276 -0.653 1.170 82 HA GLU 15 HA GLU 15 -7.855 -3.326 2.365 83 HB2 GLU 15 HB2 GLU 15 -5.317 -1.972 1.482 84 HB3 GLU 15 HB3 GLU 15 -5.258 -3.227 2.731 85 HG2 GLU 15 HG2 GLU 15 -6.674 -3.737 0.127 86 HG3 GLU 15 HG3 GLU 15 -4.906 -3.857 0.221 87 HA PRO 16 HA PRO 16 -7.886 -0.488 6.015 88 HB2 PRO 16 HB2 PRO 16 -10.101 -2.078 7.078 89 HB3 PRO 16 HB3 PRO 16 -10.108 -0.374 6.544 90 HG2 PRO 16 HG2 PRO 16 -11.430 -2.391 5.248 91 HG3 PRO 16 HG3 PRO 16 -10.852 -0.897 4.459 92 HD2 PRO 16 HD3 PRO 16 -9.609 -3.640 4.492 93 HD3 PRO 16 HD2 PRO 16 -9.765 -2.480 3.135 94 H ASP 17 H ASP 17 -6.628 -0.838 7.737 95 HA ASP 17 HA ASP 17 -5.430 -1.841 9.417 96 HB2 ASP 17 HB2 ASP 17 -7.679 -3.869 9.304 97 HB3 ASP 17 HB3 ASP 17 -6.379 -3.918 10.510 98 H LYS 18 H LYS 18 -5.456 -2.993 6.385 99 HA LYS 18 HA LYS 18 -3.249 -4.895 6.963 100 HB2 LYS 18 HB2 LYS 18 -5.662 -5.447 5.218 101 HB3 LYS 18 HB3 LYS 18 -4.134 -6.322 5.023 102 HG2 LYS 18 HG2 LYS 18 -4.295 -7.100 7.361 103 HG3 LYS 18 HG3 LYS 18 -5.839 -6.239 7.534 104 HD2 LYS 18 HD2 LYS 18 -6.810 -7.620 5.742 105 HD3 LYS 18 HD3 LYS 18 -5.265 -8.476 5.558 106 HE2 LYS 18 HE3 LYS 18 -5.435 -9.266 7.892 107 HE3 LYS 18 HE2 LYS 18 -6.985 -8.415 8.060 108 HZ1 LYS 18 HZ1 LYS 18 -7.296 -10.737 7.571 109 HZ2 LYS 18 HZ2 LYS 18 -7.875 -9.817 6.331 110 HZ3 LYS 18 HZ3 LYS 18 -6.437 -10.608 6.169 111 H CYS 19 H CYS 19 -1.882 -3.190 6.409 112 HA CYS 19 HA CYS 19 -1.773 -2.636 3.472 113 HB2 CYS 19 HB2 CYS 19 -1.030 -0.783 5.757 114 HB3 CYS 19 HB3 CYS 19 -0.763 -0.442 4.040 115 H ILE 20 H ILE 20 0.075 -3.067 2.465 116 HA ILE 20 HA ILE 20 2.333 -4.097 4.103 117 HB ILE 20 HB ILE 20 2.183 -4.251 1.071 118 HG12 ILE 20 HG12 ILE 20 1.391 -6.730 1.761 119 HG13 ILE 20 HG13 ILE 20 0.625 -5.824 3.076 120 HG21 ILE 20 HG21 ILE 20 4.324 -4.806 2.184 121 HG22 ILE 20 HG22 ILE 20 3.489 -6.052 3.143 122 HG23 ILE 20 HG23 ILE 20 3.604 -6.219 1.374 123 HD11 ILE 20 HD11 ILE 20 -0.915 -6.140 1.201 124 HD12 ILE 20 HD12 ILE 20 -0.536 -4.415 1.421 125 HD13 ILE 20 HD13 ILE 20 0.235 -5.336 0.106 126 H ILE 21 H ILE 21 4.513 -3.464 3.641 127 HA ILE 21 HA ILE 21 4.660 -0.614 2.794 128 HB ILE 21 HB ILE 21 6.926 -2.038 4.211 129 HG12 ILE 21 HG12 ILE 21 5.758 -0.804 6.296 130 HG13 ILE 21 HG13 ILE 21 4.299 -1.241 5.390 131 HG21 ILE 21 HG21 ILE 21 6.198 0.738 4.904 132 HG22 ILE 21 HG22 ILE 21 7.781 0.032 4.500 133 HG23 ILE 21 HG23 ILE 21 6.656 0.499 3.201 134 HD11 ILE 21 HD11 ILE 21 4.858 -2.949 7.050 135 HD12 ILE 21 HD12 ILE 21 6.466 -3.153 6.316 136 HD13 ILE 21 HD13 ILE 21 5.007 -3.601 5.401 137 H MET 22 H MET 22 5.079 -0.404 0.748 138 HA MET 22 HA MET 22 5.921 -0.632 -1.357 139 HB2 MET 22 HB2 MET 22 8.286 -0.448 -1.622 140 HB3 MET 22 HB3 MET 22 7.795 0.497 -0.211 141 HG2 MET 22 HG3 MET 22 8.778 -2.294 0.245 142 HG3 MET 22 HG2 MET 22 9.959 -1.057 -0.225 143 HE1 MET 22 HE1 MET 22 10.518 -1.408 3.656 144 HE2 MET 22 HE2 MET 22 10.079 -2.707 2.521 145 HE3 MET 22 HE3 MET 22 11.280 -1.480 2.049 146 H LEU 23 H LEU 23 6.568 -1.902 -3.094 147 HA LEU 23 HA LEU 23 7.352 -4.692 -2.556 148 HB2 LEU 23 HB2 LEU 23 5.180 -5.336 -2.622 149 HB3 LEU 23 HB3 LEU 23 4.656 -3.921 -3.542 150 HG LEU 23 HG LEU 23 6.012 -5.176 -5.488 151 HD11 LEU 23 HD11 LEU 23 6.720 -7.034 -4.030 152 HD12 LEU 23 HD12 LEU 23 5.014 -7.440 -3.729 153 HD13 LEU 23 HD13 LEU 23 5.690 -7.597 -5.368 154 HD21 LEU 23 HD21 LEU 23 3.650 -4.479 -5.541 155 HD22 LEU 23 HD22 LEU 23 3.205 -5.935 -4.619 156 HD23 LEU 23 HD23 LEU 23 3.881 -6.091 -6.258 157 HA PRO 24 HA PRO 24 8.305 -3.918 -7.064 158 HB2 PRO 24 HB2 PRO 24 7.060 -1.792 -8.454 159 HB3 PRO 24 HB3 PRO 24 6.501 -3.487 -8.404 160 HG2 PRO 24 HG2 PRO 24 5.215 -1.203 -7.297 161 HG3 PRO 24 HG3 PRO 24 4.741 -2.914 -7.128 162 HD2 PRO 24 HD3 PRO 24 6.254 -1.163 -5.243 163 HD3 PRO 24 HD2 PRO 24 5.184 -2.557 -4.897 164 H THR 25 H THR 25 9.004 -1.944 -4.789 165 HA THR 25 HA THR 25 11.065 -0.459 -6.303 166 HB THR 25 HB THR 25 10.567 1.628 -4.913 167 HG1 THR 25 HG1 THR 25 8.913 1.551 -3.617 168 HG21 THR 25 HG21 THR 25 9.706 0.889 -7.419 169 HG22 THR 25 HG22 THR 25 9.544 2.516 -6.716 170 HG23 THR 25 HG23 THR 25 8.185 1.370 -6.629 171 H TRP 26 H TRP 26 12.677 0.588 -4.832 172 HA TRP 26 HA TRP 26 13.322 -1.310 -2.683 173 HB2 TRP 26 HB2 TRP 26 15.444 0.252 -2.574 174 HB3 TRP 26 HB3 TRP 26 15.252 -0.965 -3.845 175 HD1 TRP 26 HD1 TRP 26 14.046 0.162 -6.219 176 HE1 TRP 26 HE1 TRP 26 14.621 2.379 -7.381 177 HE3 TRP 26 HE3 TRP 26 16.460 2.464 -2.335 178 HZ2 TRP 26 HZ2 TRP 26 15.995 4.746 -6.744 179 HZ3 TRP 26 HZ3 TRP 26 17.406 4.707 -2.707 180 HH2 TRP 26 HH2 TRP 26 17.175 5.831 -4.883 181 HA PRO 27 HA PRO 27 13.180 2.688 0.044 182 HB2 PRO 27 HB2 PRO 27 11.321 4.574 -1.296 183 HB3 PRO 27 HB3 PRO 27 12.972 4.861 -0.676 184 HG2 PRO 27 HG2 PRO 27 12.433 4.832 -3.306 185 HG3 PRO 27 HG3 PRO 27 13.972 4.210 -2.643 186 HD2 PRO 27 HD3 PRO 27 11.500 2.673 -3.457 187 HD3 PRO 27 HD2 PRO 27 13.212 2.359 -3.886 188 HA PRO 28 HA PRO 28 9.324 1.557 1.994 189 HB2 PRO 28 HB2 PRO 28 9.027 4.198 3.344 190 HB3 PRO 28 HB3 PRO 28 9.292 2.580 4.053 191 HG2 PRO 28 HG2 PRO 28 11.215 4.445 4.044 192 HG3 PRO 28 HG3 PRO 28 11.578 2.708 3.834 193 HD2 PRO 28 HD3 PRO 28 11.383 4.878 1.750 194 HD3 PRO 28 HD2 PRO 28 12.610 3.584 1.926 195 H ARG 29 H ARG 29 7.389 1.363 1.127 196 HA ARG 29 HA ARG 29 5.782 3.755 0.444 197 HB2 ARG 29 HB3 ARG 29 6.499 1.562 -1.538 198 HB3 ARG 29 HB2 ARG 29 5.111 2.642 -1.747 199 HG2 ARG 29 HG2 ARG 29 6.624 4.588 -1.745 200 HG3 ARG 29 HG3 ARG 29 8.015 3.498 -1.570 201 HD2 ARG 29 HD3 ARG 29 7.436 2.420 -3.710 202 HD3 ARG 29 HD2 ARG 29 6.041 3.506 -3.877 203 HE ARG 29 HE ARG 29 8.494 4.986 -3.536 204 HH11 ARG 29 HH11 ARG 29 6.599 3.206 -5.947 205 HH12 ARG 29 HH12 ARG 29 7.276 4.098 -7.290 206 HH21 ARG 29 HH21 ARG 29 9.342 6.112 -5.296 207 HH22 ARG 29 HH22 ARG 29 8.821 5.735 -6.923 208 H TYR 30 H TYR 30 3.718 2.199 -0.891 209 HA TYR 30 HA TYR 30 2.872 0.221 1.156 210 HB2 TYR 30 HB2 TYR 30 1.279 2.688 0.392 211 HB3 TYR 30 HB3 TYR 30 0.597 1.293 1.245 212 HD1 TYR 30 HD1 TYR 30 2.753 4.248 1.527 213 HD2 TYR 30 HD2 TYR 30 1.228 0.843 3.584 214 HE1 TYR 30 HE1 TYR 30 3.456 5.227 3.666 215 HE2 TYR 30 HE2 TYR 30 1.929 1.820 5.725 216 HH TYR 30 HH TYR 30 4.078 4.268 6.014 217 H VAL 31 H VAL 31 1.308 -1.246 0.460 218 HA VAL 31 HA VAL 31 0.618 -1.113 -2.444 219 HB VAL 31 HB VAL 31 1.149 -3.793 -1.169 220 HG11 VAL 31 HG11 VAL 31 0.076 -3.637 -3.390 221 HG12 VAL 31 HG12 VAL 31 1.503 -2.769 -4.005 222 HG13 VAL 31 HG13 VAL 31 1.655 -4.456 -3.460 223 HG21 VAL 31 HG21 VAL 31 3.498 -3.639 -2.222 224 HG22 VAL 31 HG22 VAL 31 3.231 -2.851 -0.649 225 HG23 VAL 31 HG23 VAL 31 3.269 -1.876 -2.138 226 H CYS 32 H CYS 32 -1.318 -2.062 -3.060 227 HA CYS 32 HA CYS 32 -3.139 -2.877 -0.837 228 HB2 CYS 32 HB2 CYS 32 -3.624 -0.930 -3.093 229 HB3 CYS 32 HB3 CYS 32 -4.961 -1.761 -2.281 230 H SER 33 H SER 33 -4.221 -4.711 -1.150 231 HA SER 33 HA SER 33 -4.285 -5.844 -3.919 232 HB2 SER 33 HB2 SER 33 -3.671 -7.245 -1.303 233 HB3 SER 33 HB3 SER 33 -4.030 -8.096 -2.820 234 HG SER 33 HG SER 33 -1.768 -7.799 -2.481 235 H VAL 34 H VAL 34 -6.198 -4.384 -2.044 236 HA VAL 34 HA VAL 34 -8.363 -4.401 -1.351 237 HB VAL 34 HB VAL 34 -8.582 -4.341 -3.832 238 HG11 VAL 34 HG11 VAL 34 -9.785 -6.409 -4.836 239 HG12 VAL 34 HG12 VAL 34 -8.009 -6.393 -4.732 240 HG13 VAL 34 HG13 VAL 34 -8.962 -7.306 -3.538 241 HG21 VAL 34 HG21 VAL 34 -10.478 -3.929 -2.307 242 HG22 VAL 34 HG22 VAL 34 -10.982 -4.605 -3.875 243 HG23 VAL 34 HG23 VAL 34 -10.928 -5.647 -2.432 Start of MODEL 4 1 H1 CYS 1 H1 CYS 1 -11.771 4.142 -6.394 2 H2 CYS 1 H2 CYS 1 -12.344 2.597 -6.455 3 H3 CYS 1 H3 CYS 1 -13.011 3.683 -5.408 4 HA CYS 1 HA CYS 1 -11.000 3.827 -4.147 5 HB2 CYS 1 HB3 CYS 1 -12.748 2.095 -3.641 6 HB3 CYS 1 HB2 CYS 1 -11.815 0.942 -4.610 7 H VAL 2 H VAL 2 -8.953 2.625 -3.614 8 HA VAL 2 HA VAL 2 -7.436 2.163 -6.134 9 HB VAL 2 HB VAL 2 -6.215 2.705 -3.399 10 HG11 VAL 2 HG11 VAL 2 -5.210 2.487 -6.198 11 HG12 VAL 2 HG12 VAL 2 -4.445 2.016 -4.662 12 HG13 VAL 2 HG13 VAL 2 -4.464 3.725 -5.159 13 HG21 VAL 2 HG21 VAL 2 -7.706 4.590 -3.975 14 HG22 VAL 2 HG22 VAL 2 -6.861 4.769 -5.531 15 HG23 VAL 2 HG23 VAL 2 -5.989 5.058 -4.006 16 H SER 3 H SER 3 -8.500 0.056 -6.162 17 HA SER 3 HA SER 3 -7.944 -1.967 -4.194 18 HB2 SER 3 HB2 SER 3 -8.732 -2.225 -7.115 19 HB3 SER 3 HB3 SER 3 -8.767 -3.537 -5.918 20 HG SER 3 HG SER 3 -10.819 -2.513 -6.175 21 H SER 4 H SER 4 -6.292 -0.978 -7.189 22 HA SER 4 HA SER 4 -4.036 -2.774 -6.419 23 HB2 SER 4 HB2 SER 4 -3.639 -3.178 -8.866 24 HB3 SER 4 HB3 SER 4 -5.125 -3.917 -8.234 25 HG SER 4 HG SER 4 -5.459 -2.823 -10.238 26 H GLY 5 H GLY 5 -2.077 -1.885 -6.441 27 HA2 GLY 5 HA3 GLY 5 -0.602 -0.306 -7.811 28 HA3 GLY 5 HA2 GLY 5 -1.874 0.894 -7.518 29 H ILE 6 H ILE 6 0.226 1.963 -6.730 30 HA ILE 6 HA ILE 6 0.891 1.163 -3.949 31 HB ILE 6 HB ILE 6 2.175 3.253 -5.763 32 HG12 ILE 6 HG12 ILE 6 2.669 1.036 -6.568 33 HG13 ILE 6 HG13 ILE 6 4.120 1.720 -5.826 34 HG21 ILE 6 HG21 ILE 6 4.040 3.151 -3.979 35 HG22 ILE 6 HG22 ILE 6 2.572 4.083 -3.600 36 HG23 ILE 6 HG23 ILE 6 2.796 2.456 -2.912 37 HD11 ILE 6 HD11 ILE 6 3.870 -0.666 -5.294 38 HD12 ILE 6 HD12 ILE 6 3.754 0.327 -3.822 39 HD13 ILE 6 HD13 ILE 6 2.280 -0.346 -4.561 40 H VAL 7 H VAL 7 0.650 2.463 -2.199 41 HA VAL 7 HA VAL 7 -0.789 5.029 -2.542 42 HB VAL 7 HB VAL 7 -2.319 4.416 -0.609 43 HG11 VAL 7 HG11 VAL 7 -2.717 4.286 -3.252 44 HG12 VAL 7 HG12 VAL 7 -3.035 2.584 -2.837 45 HG13 VAL 7 HG13 VAL 7 -3.976 3.881 -2.061 46 HG21 VAL 7 HG21 VAL 7 -0.941 2.301 -0.032 47 HG22 VAL 7 HG22 VAL 7 -2.717 2.198 0.041 48 HG23 VAL 7 HG23 VAL 7 -1.843 1.528 -1.357 49 H ASP 8 H ASP 8 -0.418 6.546 -0.999 50 HA ASP 8 HA ASP 8 1.857 5.998 0.812 51 HB2 ASP 8 HB3 ASP 8 0.413 8.544 -0.006 52 HB3 ASP 8 HB2 ASP 8 1.696 8.499 1.218 53 H ALA 9 H ALA 9 -1.172 5.228 1.047 54 HA ALA 9 HA ALA 9 -1.366 5.822 3.948 55 HB1 ALA 9 HB1 ALA 9 -2.733 7.461 2.437 56 HB2 ALA 9 HB2 ALA 9 -3.516 6.727 3.857 57 HB3 ALA 9 HB3 ALA 9 -3.833 6.077 2.231 58 H CYS 10 H CYS 10 -3.792 4.674 4.498 59 HA CYS 10 HA CYS 10 -3.849 1.958 3.331 60 HB2 CYS 10 HB2 CYS 10 -2.997 2.601 6.132 61 HB3 CYS 10 HB3 CYS 10 -4.013 1.173 5.874 62 H SER 11 H SER 11 -5.137 4.300 5.687 63 HA SER 11 HA SER 11 -7.743 3.017 5.887 64 HB2 SER 11 HB3 SER 11 -6.835 5.806 6.690 65 HB3 SER 11 HB2 SER 11 -8.377 5.047 7.140 66 HG SER 11 HG SER 11 -6.765 4.819 8.775 67 H GLU 12 H GLU 12 -6.231 5.310 3.764 68 HA GLU 12 HA GLU 12 -8.784 6.287 2.652 69 HB2 GLU 12 HB2 GLU 12 -5.874 6.859 2.048 70 HB3 GLU 12 HB3 GLU 12 -7.192 7.477 1.037 71 HG2 GLU 12 HG2 GLU 12 -8.129 8.652 2.987 72 HG3 GLU 12 HG3 GLU 12 -6.807 8.033 3.996 73 H CYS 13 H CYS 13 -6.303 3.902 2.022 74 HA CYS 13 HA CYS 13 -7.173 3.396 -0.743 75 HB2 CYS 13 HB3 CYS 13 -4.783 3.166 0.128 76 HB3 CYS 13 HB2 CYS 13 -5.330 1.707 0.971 77 H CYS 14 H CYS 14 -7.496 0.912 -1.269 78 HA CYS 14 HA CYS 14 -9.983 0.130 -0.040 79 HB2 CYS 14 HB3 CYS 14 -8.253 -0.785 -2.236 80 HB3 CYS 14 HB2 CYS 14 -9.120 -2.091 -1.413 81 H GLU 15 H GLU 15 -6.715 -0.457 0.836 82 HA GLU 15 HA GLU 15 -7.542 -2.757 2.556 83 HB2 GLU 15 HB2 GLU 15 -4.865 -2.023 1.341 84 HB3 GLU 15 HB3 GLU 15 -5.018 -3.191 2.664 85 HG2 GLU 15 HG2 GLU 15 -6.564 -3.494 0.087 86 HG3 GLU 15 HG3 GLU 15 -4.897 -4.078 0.245 87 HA PRO 16 HA PRO 16 -6.809 0.650 5.567 88 HB2 PRO 16 HB3 PRO 16 -8.763 -0.720 7.288 89 HB3 PRO 16 HB2 PRO 16 -8.867 0.900 6.544 90 HG2 PRO 16 HG2 PRO 16 -10.433 -1.198 5.801 91 HG3 PRO 16 HG3 PRO 16 -9.951 0.114 4.690 92 HD2 PRO 16 HD3 PRO 16 -8.803 -2.656 4.979 93 HD3 PRO 16 HD2 PRO 16 -9.170 -1.730 3.490 94 H ASP 17 H ASP 17 -7.212 -2.826 6.349 95 HA ASP 17 HA ASP 17 -5.044 -2.532 8.393 96 HB2 ASP 17 HB2 ASP 17 -7.497 -4.309 8.403 97 HB3 ASP 17 HB3 ASP 17 -6.113 -4.567 9.482 98 H LYS 18 H LYS 18 -6.318 -4.326 5.664 99 HA LYS 18 HA LYS 18 -4.263 -6.432 5.900 100 HB2 LYS 18 HB2 LYS 18 -6.576 -5.939 4.017 101 HB3 LYS 18 HB3 LYS 18 -5.372 -7.202 3.708 102 HG2 LYS 18 HG2 LYS 18 -5.927 -8.245 5.876 103 HG3 LYS 18 HG3 LYS 18 -7.146 -6.985 6.163 104 HD2 LYS 18 HD3 LYS 18 -8.358 -7.702 4.139 105 HD3 LYS 18 HD2 LYS 18 -7.134 -8.958 3.854 106 HE2 LYS 18 HE2 LYS 18 -7.703 -10.007 6.004 107 HE3 LYS 18 HE3 LYS 18 -8.928 -8.756 6.296 108 HZ1 LYS 18 HZ1 LYS 18 -9.895 -10.757 5.411 109 HZ2 LYS 18 HZ2 LYS 18 -10.079 -9.522 4.333 110 HZ3 LYS 18 HZ3 LYS 18 -8.940 -10.685 4.068 111 H CYS 19 H CYS 19 -3.599 -3.522 5.355 112 HA CYS 19 HA CYS 19 -2.463 -3.650 2.625 113 HB2 CYS 19 HB2 CYS 19 -1.810 -1.325 3.011 114 HB3 CYS 19 HB3 CYS 19 -3.537 -1.570 3.317 115 H ILE 20 H ILE 20 -0.372 -3.900 2.129 116 HA ILE 20 HA ILE 20 1.458 -4.657 4.337 117 HB ILE 20 HB ILE 20 2.173 -4.832 1.394 118 HG12 ILE 20 HG12 ILE 20 1.381 -7.362 1.881 119 HG13 ILE 20 HG13 ILE 20 0.199 -6.502 2.883 120 HG21 ILE 20 HG21 ILE 20 3.928 -5.237 3.092 121 HG22 ILE 20 HG22 ILE 20 2.937 -6.540 3.790 122 HG23 ILE 20 HG23 ILE 20 3.573 -6.695 2.135 123 HD11 ILE 20 HD11 ILE 20 -0.683 -6.934 0.642 124 HD12 ILE 20 HD12 ILE 20 0.689 -6.060 -0.079 125 HD13 ILE 20 HD13 ILE 20 -0.497 -5.186 0.920 126 H ILE 21 H ILE 21 3.611 -3.831 4.473 127 HA ILE 21 HA ILE 21 3.727 -0.973 3.691 128 HB ILE 21 HB ILE 21 5.684 -2.380 5.552 129 HG12 ILE 21 HG13 ILE 21 4.101 -1.051 7.290 130 HG13 ILE 21 HG12 ILE 21 2.888 -1.491 6.076 131 HG21 ILE 21 HG21 ILE 21 6.322 -0.151 4.686 132 HG22 ILE 21 HG22 ILE 21 6.049 -0.134 6.445 133 HG23 ILE 21 HG23 ILE 21 4.813 0.525 5.347 134 HD11 ILE 21 HD11 ILE 21 2.997 -3.159 7.862 135 HD12 ILE 21 HD12 ILE 21 4.723 -3.424 7.520 136 HD13 ILE 21 HD13 ILE 21 3.498 -3.857 6.304 137 H MET 22 H MET 22 4.255 -1.073 1.571 138 HA MET 22 HA MET 22 5.465 -1.331 -0.352 139 HB2 MET 22 HB3 MET 22 7.736 -0.474 -0.307 140 HB3 MET 22 HB2 MET 22 6.655 0.497 0.699 141 HG2 MET 22 HG3 MET 22 8.587 0.400 1.973 142 HG3 MET 22 HG2 MET 22 7.583 -0.880 2.681 143 HE1 MET 22 HE1 MET 22 11.221 -2.338 3.004 144 HE2 MET 22 HE2 MET 22 10.735 -0.633 3.156 145 HE3 MET 22 HE3 MET 22 9.724 -1.912 3.868 146 H LEU 23 H LEU 23 6.251 -2.796 -1.713 147 HA LEU 23 HA LEU 23 7.915 -4.984 -0.584 148 HB2 LEU 23 HB3 LEU 23 6.083 -6.300 -0.646 149 HB3 LEU 23 HB2 LEU 23 5.224 -5.229 -1.758 150 HG LEU 23 HG LEU 23 6.992 -6.262 -3.493 151 HD11 LEU 23 HD11 LEU 23 8.087 -7.667 -1.790 152 HD12 LEU 23 HD12 LEU 23 7.327 -8.647 -3.067 153 HD13 LEU 23 HD13 LEU 23 6.538 -8.488 -1.479 154 HD21 LEU 23 HD21 LEU 23 4.536 -6.252 -3.695 155 HD22 LEU 23 HD22 LEU 23 5.235 -7.812 -4.189 156 HD23 LEU 23 HD23 LEU 23 4.446 -7.654 -2.602 157 HA PRO 24 HA PRO 24 9.088 -4.794 -5.129 158 HB2 PRO 24 HB2 PRO 24 7.454 -3.223 -6.883 159 HB3 PRO 24 HB3 PRO 24 7.456 -5.000 -6.713 160 HG2 PRO 24 HG3 PRO 24 5.367 -3.263 -6.021 161 HG3 PRO 24 HG2 PRO 24 5.524 -4.976 -5.544 162 HD2 PRO 24 HD2 PRO 24 6.165 -2.491 -3.986 163 HD3 PRO 24 HD3 PRO 24 5.526 -4.068 -3.426 164 H THR 25 H THR 25 9.125 -2.452 -3.162 165 HA THR 25 HA THR 25 10.844 -0.680 -4.787 166 HB THR 25 HB THR 25 9.738 1.348 -3.648 167 HG1 THR 25 HG1 THR 25 8.115 0.875 -2.393 168 HG21 THR 25 HG21 THR 25 8.027 1.567 -5.408 169 HG22 THR 25 HG22 THR 25 9.552 0.917 -6.058 170 HG23 THR 25 HG23 THR 25 8.174 -0.171 -5.765 171 H TRP 26 H TRP 26 12.479 0.281 -3.670 172 HA TRP 26 HA TRP 26 13.165 -0.864 -1.099 173 HB2 TRP 26 HB3 TRP 26 14.666 1.519 -2.096 174 HB3 TRP 26 HB2 TRP 26 15.257 0.002 -1.397 175 HD1 TRP 26 HD1 TRP 26 13.741 1.280 -4.744 176 HE1 TRP 26 HE1 TRP 26 14.620 -0.164 -6.672 177 HE3 TRP 26 HE3 TRP 26 16.520 -2.043 -2.013 178 HZ2 TRP 26 HZ2 TRP 26 16.337 -2.368 -6.985 179 HZ3 TRP 26 HZ3 TRP 26 17.778 -3.785 -3.216 180 HH2 TRP 26 HH2 TRP 26 17.687 -3.941 -5.669 181 HA PRO 27 HA PRO 27 12.479 3.589 0.712 182 HB2 PRO 27 HB3 PRO 27 10.630 4.966 -1.166 183 HB3 PRO 27 HB2 PRO 27 12.157 5.556 -0.451 184 HG2 PRO 27 HG2 PRO 27 11.958 4.948 -3.054 185 HG3 PRO 27 HG3 PRO 27 13.446 4.618 -2.120 186 HD2 PRO 27 HD3 PRO 27 11.220 2.722 -2.876 187 HD3 PRO 27 HD2 PRO 27 12.991 2.493 -3.015 188 HA PRO 28 HA PRO 28 8.580 2.610 2.668 189 HB2 PRO 28 HB3 PRO 28 7.923 5.522 2.993 190 HB3 PRO 28 HB2 PRO 28 8.054 4.242 4.233 191 HG2 PRO 28 HG2 PRO 28 9.947 6.091 3.972 192 HG3 PRO 28 HG3 PRO 28 10.366 4.389 4.315 193 HD2 PRO 28 HD3 PRO 28 10.503 5.900 1.714 194 HD3 PRO 28 HD2 PRO 28 11.669 4.733 2.412 195 H ARG 29 H ARG 29 6.926 1.805 1.589 196 HA ARG 29 HA ARG 29 5.036 3.582 0.190 197 HB2 ARG 29 HB3 ARG 29 6.776 1.574 -1.197 198 HB3 ARG 29 HB2 ARG 29 5.088 1.715 -1.721 199 HG2 ARG 29 HG2 ARG 29 5.375 4.069 -2.201 200 HG3 ARG 29 HG3 ARG 29 7.026 4.040 -1.547 201 HD2 ARG 29 HD3 ARG 29 7.757 2.559 -3.318 202 HD3 ARG 29 HD2 ARG 29 6.092 2.386 -3.912 203 HE ARG 29 HE ARG 29 6.191 4.845 -4.450 204 HH11 ARG 29 HH11 ARG 29 9.203 2.984 -4.217 205 HH12 ARG 29 HH12 ARG 29 10.076 4.074 -5.272 206 HH21 ARG 29 HH21 ARG 29 7.354 6.220 -5.803 207 HH22 ARG 29 HH22 ARG 29 9.035 5.893 -6.163 208 H TYR 30 H TYR 30 3.435 1.649 -1.019 209 HA TYR 30 HA TYR 30 2.751 -0.424 0.961 210 HB2 TYR 30 HB3 TYR 30 0.901 1.924 0.393 211 HB3 TYR 30 HB2 TYR 30 0.373 0.400 1.123 212 HD1 TYR 30 HD1 TYR 30 2.030 3.584 1.704 213 HD2 TYR 30 HD2 TYR 30 1.202 -0.239 3.395 214 HE1 TYR 30 HE1 TYR 30 2.605 4.446 3.931 215 HE2 TYR 30 HE2 TYR 30 1.780 0.621 5.622 216 HH TYR 30 HH TYR 30 3.458 3.376 6.156 217 H VAL 31 H VAL 31 1.148 -1.910 0.196 218 HA VAL 31 HA VAL 31 0.497 -1.652 -2.707 219 HB VAL 31 HB VAL 31 1.256 -4.311 -1.438 220 HG11 VAL 31 HG11 VAL 31 -0.160 -4.390 -3.465 221 HG12 VAL 31 HG12 VAL 31 1.455 -5.086 -3.743 222 HG13 VAL 31 HG13 VAL 31 1.072 -3.456 -4.347 223 HG21 VAL 31 HG21 VAL 31 3.227 -2.824 -1.381 224 HG22 VAL 31 HG22 VAL 31 3.431 -4.172 -2.526 225 HG23 VAL 31 HG23 VAL 31 3.049 -2.541 -3.130 226 H CYS 32 H CYS 32 -1.600 -1.688 -3.018 227 HA CYS 32 HA CYS 32 -3.347 -2.949 -0.963 228 HB2 CYS 32 HB2 CYS 32 -3.797 -0.843 -3.078 229 HB3 CYS 32 HB3 CYS 32 -5.153 -1.680 -2.306 230 H SER 33 H SER 33 -4.544 -4.693 -1.368 231 HA SER 33 HA SER 33 -4.787 -5.619 -4.200 232 HB2 SER 33 HB3 SER 33 -2.973 -6.821 -2.894 233 HB3 SER 33 HB2 SER 33 -4.260 -7.456 -1.847 234 HG SER 33 HG SER 33 -3.734 -8.889 -3.577 235 H VAL 34 H VAL 34 -6.449 -4.335 -1.942 236 HA VAL 34 HA VAL 34 -8.523 -4.417 -1.002 237 HB VAL 34 HB VAL 34 -9.008 -3.854 -3.358 238 HG11 VAL 34 HG11 VAL 34 -10.288 -5.622 -4.712 239 HG12 VAL 34 HG12 VAL 34 -8.511 -5.708 -4.686 240 HG13 VAL 34 HG13 VAL 34 -9.470 -6.815 -3.674 241 HG21 VAL 34 HG21 VAL 34 -10.755 -3.790 -1.618 242 HG22 VAL 34 HG22 VAL 34 -11.404 -4.117 -3.243 243 HG23 VAL 34 HG23 VAL 34 -11.237 -5.444 -2.068 Start of MODEL 5 1 H1 CYS 1 H1 CYS 1 -12.278 3.250 -6.417 2 H2 CYS 1 H2 CYS 1 -13.222 3.311 -5.067 3 H3 CYS 1 H3 CYS 1 -12.498 1.895 -5.503 4 HA CYS 1 HA CYS 1 -11.135 4.343 -4.617 5 HB2 CYS 1 HB3 CYS 1 -10.518 3.025 -2.638 6 HB3 CYS 1 HB2 CYS 1 -12.274 3.185 -2.802 7 H VAL 2 H VAL 2 -8.820 3.416 -3.743 8 HA VAL 2 HA VAL 2 -7.447 2.584 -6.197 9 HB VAL 2 HB VAL 2 -6.171 3.067 -3.473 10 HG11 VAL 2 HG11 VAL 2 -4.749 1.994 -5.189 11 HG12 VAL 2 HG12 VAL 2 -5.059 3.362 -6.285 12 HG13 VAL 2 HG13 VAL 2 -4.174 3.623 -4.762 13 HG21 VAL 2 HG21 VAL 2 -7.554 5.024 -4.079 14 HG22 VAL 2 HG22 VAL 2 -5.813 5.394 -4.113 15 HG23 VAL 2 HG23 VAL 2 -6.697 5.133 -5.636 16 H SER 3 H SER 3 -8.816 0.549 -5.995 17 HA SER 3 HA SER 3 -8.318 -1.515 -4.138 18 HB2 SER 3 HB3 SER 3 -9.027 -1.731 -7.084 19 HB3 SER 3 HB2 SER 3 -9.180 -3.033 -5.885 20 HG SER 3 HG SER 3 -11.156 -1.885 -6.205 21 H SER 4 H SER 4 -6.532 -0.694 -7.117 22 HA SER 4 HA SER 4 -4.402 -2.585 -6.232 23 HB2 SER 4 HB2 SER 4 -3.983 -3.129 -8.644 24 HB3 SER 4 HB3 SER 4 -5.528 -3.743 -8.016 25 HG SER 4 HG SER 4 -5.747 -2.724 -10.076 26 H GLY 5 H GLY 5 -2.314 -1.964 -6.561 27 HA2 GLY 5 HA2 GLY 5 -0.791 -0.478 -7.900 28 HA3 GLY 5 HA3 GLY 5 -1.960 0.822 -7.598 29 H ILE 6 H ILE 6 0.087 1.858 -6.831 30 HA ILE 6 HA ILE 6 0.877 0.987 -4.102 31 HB ILE 6 HB ILE 6 2.125 3.027 -5.991 32 HG12 ILE 6 HG12 ILE 6 2.513 0.707 -6.664 33 HG13 ILE 6 HG13 ILE 6 4.012 1.493 -6.154 34 HG21 ILE 6 HG21 ILE 6 4.036 3.018 -4.283 35 HG22 ILE 6 HG22 ILE 6 2.863 2.316 -3.143 36 HG23 ILE 6 HG23 ILE 6 2.566 3.922 -3.851 37 HD11 ILE 6 HD11 ILE 6 4.015 -0.775 -5.338 38 HD12 ILE 6 HD12 ILE 6 2.402 -0.573 -4.615 39 HD13 ILE 6 HD13 ILE 6 3.795 0.306 -3.941 40 H VAL 7 H VAL 7 0.688 2.238 -2.319 41 HA VAL 7 HA VAL 7 -0.653 4.866 -2.567 42 HB VAL 7 HB VAL 7 -2.152 4.276 -0.611 43 HG11 VAL 7 HG11 VAL 7 -2.959 4.473 -2.931 44 HG12 VAL 7 HG12 VAL 7 -2.652 2.736 -3.172 45 HG13 VAL 7 HG13 VAL 7 -3.876 3.268 -1.995 46 HG21 VAL 7 HG21 VAL 7 -0.996 2.216 0.129 47 HG22 VAL 7 HG22 VAL 7 -2.724 1.940 -0.196 48 HG23 VAL 7 HG23 VAL 7 -1.501 1.407 -1.374 49 H ASP 8 H ASP 8 -0.129 6.339 -1.035 50 HA ASP 8 HA ASP 8 2.158 5.628 0.707 51 HB2 ASP 8 HB3 ASP 8 1.932 7.722 -0.862 52 HB3 ASP 8 HB2 ASP 8 0.952 8.383 0.460 53 H ALA 9 H ALA 9 -0.875 5.016 1.050 54 HA ALA 9 HA ALA 9 -0.970 5.697 3.937 55 HB1 ALA 9 HB1 ALA 9 -2.301 7.354 2.441 56 HB2 ALA 9 HB2 ALA 9 -3.450 6.010 2.242 57 HB3 ALA 9 HB3 ALA 9 -3.108 6.656 3.865 58 H CYS 10 H CYS 10 -3.544 4.687 4.433 59 HA CYS 10 HA CYS 10 -3.685 1.926 3.420 60 HB2 CYS 10 HB3 CYS 10 -2.072 1.689 5.256 61 HB3 CYS 10 HB2 CYS 10 -3.173 2.538 6.353 62 H SER 11 H SER 11 -4.838 4.471 5.609 63 HA SER 11 HA SER 11 -7.510 3.331 5.899 64 HB2 SER 11 HB3 SER 11 -6.441 6.098 6.567 65 HB3 SER 11 HB2 SER 11 -8.022 5.449 7.055 66 HG SER 11 HG SER 11 -6.420 5.213 8.697 67 H GLU 12 H GLU 12 -5.864 5.370 3.641 68 HA GLU 12 HA GLU 12 -8.332 6.505 2.498 69 HB2 GLU 12 HB2 GLU 12 -5.401 6.725 1.775 70 HB3 GLU 12 HB3 GLU 12 -6.686 7.415 0.770 71 HG2 GLU 12 HG2 GLU 12 -7.415 8.804 2.668 72 HG3 GLU 12 HG3 GLU 12 -6.123 8.114 3.670 73 H CYS 13 H CYS 13 -6.052 3.882 1.938 74 HA CYS 13 HA CYS 13 -7.094 3.251 -0.733 75 HB2 CYS 13 HB3 CYS 13 -4.704 2.815 0.133 76 HB3 CYS 13 HB2 CYS 13 -5.403 1.448 1.017 77 H CYS 14 H CYS 14 -7.838 0.894 -1.136 78 HA CYS 14 HA CYS 14 -10.248 0.458 0.414 79 HB2 CYS 14 HB2 CYS 14 -9.157 -1.641 -1.421 80 HB3 CYS 14 HB3 CYS 14 -10.828 -1.108 -1.181 81 H GLU 15 H GLU 15 -7.022 -0.466 0.890 82 HA GLU 15 HA GLU 15 -7.793 -2.808 2.572 83 HB2 GLU 15 HB2 GLU 15 -5.915 -2.673 0.607 84 HB3 GLU 15 HB3 GLU 15 -4.929 -2.236 2.013 85 HG2 GLU 15 HG3 GLU 15 -5.459 -4.304 3.112 86 HG3 GLU 15 HG2 GLU 15 -6.672 -4.705 1.881 87 HA PRO 16 HA PRO 16 -6.742 0.509 5.622 88 HB2 PRO 16 HB2 PRO 16 -8.947 -0.424 7.287 89 HB3 PRO 16 HB3 PRO 16 -8.795 1.118 6.401 90 HG2 PRO 16 HG3 PRO 16 -10.597 -0.861 5.784 91 HG3 PRO 16 HG2 PRO 16 -9.994 0.355 4.624 92 HD2 PRO 16 HD3 PRO 16 -9.135 -2.504 5.022 93 HD3 PRO 16 HD2 PRO 16 -9.374 -1.592 3.498 94 H ASP 17 H ASP 17 -7.380 -2.942 6.131 95 HA ASP 17 HA ASP 17 -5.674 -2.823 8.589 96 HB2 ASP 17 HB2 ASP 17 -8.003 -4.633 7.915 97 HB3 ASP 17 HB3 ASP 17 -6.860 -4.982 9.225 98 H LYS 18 H LYS 18 -6.447 -4.672 5.643 99 HA LYS 18 HA LYS 18 -4.243 -6.561 6.148 100 HB2 LYS 18 HB3 LYS 18 -6.316 -6.284 3.958 101 HB3 LYS 18 HB2 LYS 18 -4.981 -7.443 3.857 102 HG2 LYS 18 HG2 LYS 18 -6.746 -7.433 6.289 103 HG3 LYS 18 HG3 LYS 18 -7.319 -8.191 4.789 104 HD2 LYS 18 HD2 LYS 18 -5.324 -9.632 4.750 105 HD3 LYS 18 HD3 LYS 18 -4.730 -8.863 6.237 106 HE2 LYS 18 HE3 LYS 18 -6.762 -9.647 7.424 107 HE3 LYS 18 HE2 LYS 18 -7.299 -10.452 5.936 108 HZ1 LYS 18 HZ1 LYS 18 -6.198 -11.973 7.418 109 HZ2 LYS 18 HZ2 LYS 18 -4.822 -11.064 7.408 110 HZ3 LYS 18 HZ3 LYS 18 -5.327 -11.811 6.027 111 H CYS 19 H CYS 19 -3.873 -3.540 5.505 112 HA CYS 19 HA CYS 19 -2.460 -3.549 2.947 113 HB2 CYS 19 HB2 CYS 19 -1.918 -1.249 3.441 114 HB3 CYS 19 HB3 CYS 19 -3.630 -1.544 3.782 115 H ILE 20 H ILE 20 -0.374 -3.845 2.531 116 HA ILE 20 HA ILE 20 1.439 -4.245 4.868 117 HB ILE 20 HB ILE 20 2.831 -5.667 3.244 118 HG12 ILE 20 HG12 ILE 20 1.060 -6.873 1.622 119 HG13 ILE 20 HG13 ILE 20 0.379 -5.237 1.590 120 HG21 ILE 20 HG21 ILE 20 1.518 -6.553 5.133 121 HG22 ILE 20 HG22 ILE 20 0.101 -6.698 4.065 122 HG23 ILE 20 HG23 ILE 20 1.556 -7.675 3.752 123 HD11 ILE 20 HD11 ILE 20 2.158 -5.968 -0.189 124 HD12 ILE 20 HD12 ILE 20 2.237 -4.343 0.532 125 HD13 ILE 20 HD13 ILE 20 3.320 -5.629 1.117 126 H ILE 21 H ILE 21 3.777 -3.887 4.395 127 HA ILE 21 HA ILE 21 4.142 -1.183 3.454 128 HB ILE 21 HB ILE 21 6.522 -2.983 3.865 129 HG12 ILE 21 HG12 ILE 21 6.095 -2.253 6.426 130 HG13 ILE 21 HG13 ILE 21 4.413 -2.473 5.912 131 HG21 ILE 21 HG21 ILE 21 6.792 -0.730 5.443 132 HG22 ILE 21 HG22 ILE 21 7.416 -0.921 3.788 133 HG23 ILE 21 HG23 ILE 21 5.844 -0.132 4.060 134 HD11 ILE 21 HD11 ILE 21 5.309 -4.517 6.914 135 HD12 ILE 21 HD12 ILE 21 6.625 -4.540 5.716 136 HD13 ILE 21 HD13 ILE 21 4.940 -4.769 5.191 137 H MET 22 H MET 22 6.187 -0.742 1.993 138 HA MET 22 HA MET 22 5.513 -1.328 -0.670 139 HB2 MET 22 HB3 MET 22 7.702 -0.392 -1.265 140 HB3 MET 22 HB2 MET 22 6.882 0.573 -0.031 141 HG2 MET 22 HG2 MET 22 9.075 0.566 0.710 142 HG3 MET 22 HG3 MET 22 8.343 -0.733 1.671 143 HE1 MET 22 HE1 MET 22 12.004 -2.038 1.052 144 HE2 MET 22 HE2 MET 22 11.497 -0.351 1.311 145 HE3 MET 22 HE3 MET 22 10.763 -1.658 2.271 146 H LEU 23 H LEU 23 6.512 -2.551 -2.339 147 HA LEU 23 HA LEU 23 8.255 -4.782 -1.466 148 HB2 LEU 23 HB2 LEU 23 6.495 -6.172 -1.427 149 HB3 LEU 23 HB3 LEU 23 5.460 -5.073 -2.344 150 HG LEU 23 HG LEU 23 7.056 -5.928 -4.344 151 HD11 LEU 23 HD11 LEU 23 8.375 -7.392 -2.863 152 HD12 LEU 23 HD12 LEU 23 6.895 -8.283 -2.435 153 HD13 LEU 23 HD13 LEU 23 7.504 -8.321 -4.107 154 HD21 LEU 23 HD21 LEU 23 4.594 -5.994 -4.272 155 HD22 LEU 23 HD22 LEU 23 5.277 -7.497 -4.937 156 HD23 LEU 23 HD23 LEU 23 4.668 -7.460 -3.265 157 HA PRO 24 HA PRO 24 8.940 -4.332 -6.101 158 HB2 PRO 24 HB3 PRO 24 7.103 -2.674 -7.556 159 HB3 PRO 24 HB2 PRO 24 7.167 -4.458 -7.536 160 HG2 PRO 24 HG2 PRO 24 5.108 -2.869 -6.510 161 HG3 PRO 24 HG3 PRO 24 5.388 -4.594 -6.146 162 HD2 PRO 24 HD3 PRO 24 6.127 -2.161 -4.549 163 HD3 PRO 24 HD2 PRO 24 5.562 -3.767 -3.986 164 H THR 25 H THR 25 9.149 -2.104 -4.011 165 HA THR 25 HA THR 25 10.678 -0.216 -5.697 166 HB THR 25 HB THR 25 9.685 1.729 -4.345 167 HG1 THR 25 HG1 THR 25 8.543 0.380 -2.835 168 HG21 THR 25 HG21 THR 25 7.773 2.009 -5.875 169 HG22 THR 25 HG22 THR 25 9.214 1.414 -6.734 170 HG23 THR 25 HG23 THR 25 7.890 0.293 -6.334 171 H TRP 26 H TRP 26 12.137 1.158 -4.464 172 HA TRP 26 HA TRP 26 13.216 -0.314 -2.165 173 HB2 TRP 26 HB3 TRP 26 14.971 1.679 -2.343 174 HB3 TRP 26 HB2 TRP 26 15.017 0.261 -3.400 175 HD1 TRP 26 HD1 TRP 26 13.520 0.724 -5.849 176 HE1 TRP 26 HE1 TRP 26 13.645 2.778 -7.385 177 HE3 TRP 26 HE3 TRP 26 15.597 4.034 -2.540 178 HZ2 TRP 26 HZ2 TRP 26 14.584 5.423 -7.222 179 HZ3 TRP 26 HZ3 TRP 26 16.109 6.312 -3.326 180 HH2 TRP 26 HH2 TRP 26 15.605 6.994 -5.635 181 HA PRO 27 HA PRO 27 12.353 3.819 0.175 182 HB2 PRO 27 HB2 PRO 27 10.249 5.278 -1.313 183 HB3 PRO 27 HB3 PRO 27 11.842 5.858 -0.749 184 HG2 PRO 27 HG2 PRO 27 11.289 5.500 -3.361 185 HG3 PRO 27 HG3 PRO 27 12.913 5.208 -2.675 186 HD2 PRO 27 HD3 PRO 27 10.735 3.213 -3.307 187 HD3 PRO 27 HD2 PRO 27 12.479 3.144 -3.715 188 HA PRO 28 HA PRO 28 8.758 2.246 2.283 189 HB2 PRO 28 HB2 PRO 28 7.749 4.493 3.613 190 HB3 PRO 28 HB3 PRO 28 9.132 3.508 4.169 191 HG2 PRO 28 HG2 PRO 28 9.119 6.101 2.663 192 HG3 PRO 28 HG3 PRO 28 10.165 5.564 4.007 193 HD2 PRO 28 HD3 PRO 28 11.016 5.548 1.450 194 HD3 PRO 28 HD2 PRO 28 11.521 4.286 2.615 195 H ARG 29 H ARG 29 7.088 1.593 1.111 196 HA ARG 29 HA ARG 29 4.995 3.552 0.348 197 HB2 ARG 29 HB3 ARG 29 6.186 1.523 -1.590 198 HB3 ARG 29 HB2 ARG 29 4.710 2.457 -1.879 199 HG2 ARG 29 HG3 ARG 29 7.337 3.837 -1.316 200 HG3 ARG 29 HG2 ARG 29 6.915 3.274 -2.945 201 HD2 ARG 29 HD2 ARG 29 4.851 4.626 -2.876 202 HD3 ARG 29 HD3 ARG 29 5.290 5.209 -1.258 203 HE ARG 29 HE ARG 29 7.452 5.757 -3.004 204 HH11 ARG 29 HH11 ARG 29 4.095 6.792 -2.525 205 HH12 ARG 29 HH12 ARG 29 4.382 8.383 -3.192 206 HH21 ARG 29 HH21 ARG 29 7.779 7.820 -3.855 207 HH22 ARG 29 HH22 ARG 29 6.456 8.962 -3.940 208 H TYR 30 H TYR 30 3.370 1.637 -1.054 209 HA TYR 30 HA TYR 30 2.883 -0.618 0.785 210 HB2 TYR 30 HB3 TYR 30 0.841 1.616 0.433 211 HB3 TYR 30 HB2 TYR 30 0.508 0.040 1.165 212 HD1 TYR 30 HD1 TYR 30 1.514 -0.543 3.374 213 HD2 TYR 30 HD2 TYR 30 1.934 3.346 1.687 214 HE1 TYR 30 HE1 TYR 30 2.149 0.342 5.574 215 HE2 TYR 30 HE2 TYR 30 2.576 4.232 3.883 216 HH TYR 30 HH TYR 30 2.043 2.690 6.717 217 H VAL 31 H VAL 31 1.200 -2.075 -0.017 218 HA VAL 31 HA VAL 31 0.467 -1.620 -2.872 219 HB VAL 31 HB VAL 31 1.313 -4.379 -1.938 220 HG11 VAL 31 HG11 VAL 31 -0.051 -4.178 -3.992 221 HG12 VAL 31 HG12 VAL 31 1.196 -3.124 -4.701 222 HG13 VAL 31 HG13 VAL 31 1.576 -4.821 -4.320 223 HG21 VAL 31 HG21 VAL 31 3.269 -2.902 -1.618 224 HG22 VAL 31 HG22 VAL 31 3.514 -4.076 -2.933 225 HG23 VAL 31 HG23 VAL 31 3.135 -2.379 -3.315 226 H CYS 32 H CYS 32 -1.645 -1.697 -3.080 227 HA CYS 32 HA CYS 32 -3.257 -3.218 -1.102 228 HB2 CYS 32 HB2 CYS 32 -3.961 -1.097 -3.150 229 HB3 CYS 32 HB3 CYS 32 -5.185 -2.001 -2.246 230 H SER 33 H SER 33 -3.393 -5.302 -1.636 231 HA SER 33 HA SER 33 -3.711 -6.084 -4.481 232 HB2 SER 33 HB2 SER 33 -3.134 -7.655 -1.956 233 HB3 SER 33 HB3 SER 33 -3.391 -8.405 -3.546 234 HG SER 33 HG SER 33 -1.161 -8.022 -3.092 235 H VAL 34 H VAL 34 -5.809 -4.893 -2.611 236 HA VAL 34 HA VAL 34 -7.833 -7.037 -2.555 237 HB VAL 34 HB VAL 34 -9.272 -5.054 -1.622 238 HG11 VAL 34 HG11 VAL 34 -8.501 -7.021 -0.353 239 HG12 VAL 34 HG12 VAL 34 -6.964 -6.190 -0.018 240 HG13 VAL 34 HG13 VAL 34 -8.487 -5.538 0.631 241 HG21 VAL 34 HG21 VAL 34 -8.194 -3.198 -0.706 242 HG22 VAL 34 HG22 VAL 34 -7.375 -3.393 -2.274 243 HG23 VAL 34 HG23 VAL 34 -6.589 -3.963 -0.783 Start of MODEL 6 1 H1 CYS 1 H1 CYS 1 -10.794 5.077 -6.529 2 H2 CYS 1 H2 CYS 1 -12.222 4.601 -5.857 3 H3 CYS 1 H3 CYS 1 -11.484 3.649 -6.984 4 HA CYS 1 HA CYS 1 -10.459 4.269 -4.298 5 HB2 CYS 1 HB2 CYS 1 -12.441 2.680 -4.533 6 HB3 CYS 1 HB3 CYS 1 -11.348 1.588 -5.398 7 H VAL 2 H VAL 2 -8.760 2.411 -3.777 8 HA VAL 2 HA VAL 2 -6.924 2.177 -6.118 9 HB VAL 2 HB VAL 2 -5.939 2.637 -3.276 10 HG11 VAL 2 HG11 VAL 2 -4.366 1.579 -4.865 11 HG12 VAL 2 HG12 VAL 2 -3.823 3.197 -4.360 12 HG13 VAL 2 HG13 VAL 2 -4.560 2.965 -5.964 13 HG21 VAL 2 HG21 VAL 2 -7.245 4.615 -3.980 14 HG22 VAL 2 HG22 VAL 2 -5.507 4.972 -3.843 15 HG23 VAL 2 HG23 VAL 2 -6.244 4.740 -5.447 16 H SER 3 H SER 3 -7.766 0.114 -6.456 17 HA SER 3 HA SER 3 -7.701 -1.964 -4.439 18 HB2 SER 3 HB2 SER 3 -7.890 -2.143 -7.465 19 HB3 SER 3 HB3 SER 3 -8.178 -3.482 -6.332 20 HG SER 3 HG SER 3 -10.126 -2.421 -6.969 21 H SER 4 H SER 4 -5.538 -1.042 -7.136 22 HA SER 4 HA SER 4 -3.396 -2.670 -5.862 23 HB2 SER 4 HB2 SER 4 -2.641 -3.389 -8.149 24 HB3 SER 4 HB3 SER 4 -4.179 -4.107 -7.625 25 HG SER 4 HG SER 4 -4.260 -3.319 -9.792 26 H GLY 5 H GLY 5 -1.483 -1.692 -5.737 27 HA2 GLY 5 HA2 GLY 5 0.070 -0.225 -7.208 28 HA3 GLY 5 HA3 GLY 5 -1.241 0.963 -7.076 29 H ILE 6 H ILE 6 0.317 2.396 -6.140 30 HA ILE 6 HA ILE 6 1.183 1.682 -3.385 31 HB ILE 6 HB ILE 6 2.036 4.007 -5.165 32 HG12 ILE 6 HG12 ILE 6 2.978 2.027 -6.070 33 HG13 ILE 6 HG13 ILE 6 4.267 2.839 -5.173 34 HG21 ILE 6 HG21 ILE 6 3.910 4.194 -3.381 35 HG22 ILE 6 HG22 ILE 6 2.796 3.286 -2.331 36 HG23 ILE 6 HG23 ILE 6 2.304 4.861 -3.000 37 HD11 ILE 6 HD11 ILE 6 4.256 0.355 -4.909 38 HD12 ILE 6 HD12 ILE 6 4.094 1.227 -3.366 39 HD13 ILE 6 HD13 ILE 6 2.665 0.480 -4.119 40 H VAL 7 H VAL 7 0.800 3.013 -1.629 41 HA VAL 7 HA VAL 7 -1.125 5.227 -1.951 42 HB VAL 7 HB VAL 7 -2.508 4.317 -0.002 43 HG11 VAL 7 HG11 VAL 7 -2.848 4.168 -2.695 44 HG12 VAL 7 HG12 VAL 7 -3.022 2.458 -2.233 45 HG13 VAL 7 HG13 VAL 7 -4.070 3.690 -1.492 46 HG21 VAL 7 HG21 VAL 7 -0.986 2.491 0.686 47 HG22 VAL 7 HG22 VAL 7 -2.621 1.898 0.310 48 HG23 VAL 7 HG23 VAL 7 -1.299 1.663 -0.858 49 H ASP 8 H ASP 8 -1.033 6.776 -0.410 50 HA ASP 8 HA ASP 8 1.261 6.607 1.455 51 HB2 ASP 8 HB2 ASP 8 -0.561 8.878 0.591 52 HB3 ASP 8 HB3 ASP 8 0.675 9.052 1.852 53 H ALA 9 H ALA 9 -1.675 5.428 1.555 54 HA ALA 9 HA ALA 9 -1.981 5.774 4.472 55 HB1 ALA 9 HB1 ALA 9 -3.389 7.529 3.164 56 HB2 ALA 9 HB2 ALA 9 -4.182 6.580 4.444 57 HB3 ALA 9 HB3 ALA 9 -4.425 6.146 2.735 58 H CYS 10 H CYS 10 -4.478 4.516 4.727 59 HA CYS 10 HA CYS 10 -4.351 1.926 3.320 60 HB2 CYS 10 HB2 CYS 10 -2.831 1.580 5.220 61 HB3 CYS 10 HB3 CYS 10 -4.083 2.133 6.344 62 H SER 11 H SER 11 -5.844 4.009 5.792 63 HA SER 11 HA SER 11 -8.400 2.641 5.791 64 HB2 SER 11 HB3 SER 11 -9.178 4.689 7.013 65 HB3 SER 11 HB2 SER 11 -7.755 3.908 7.736 66 HG SER 11 HG SER 11 -7.526 6.200 7.578 67 H GLU 12 H GLU 12 -6.882 5.049 3.814 68 HA GLU 12 HA GLU 12 -9.419 5.914 2.566 69 HB2 GLU 12 HB2 GLU 12 -6.522 6.711 2.204 70 HB3 GLU 12 HB3 GLU 12 -7.802 7.274 1.116 71 HG2 GLU 12 HG3 GLU 12 -8.965 8.300 3.038 72 HG3 GLU 12 HG2 GLU 12 -7.665 7.742 4.109 73 H CYS 13 H CYS 13 -6.832 3.641 2.114 74 HA CYS 13 HA CYS 13 -7.244 3.245 -0.753 75 HB2 CYS 13 HB2 CYS 13 -5.090 2.837 0.550 76 HB3 CYS 13 HB3 CYS 13 -5.856 1.373 1.189 77 H CYS 14 H CYS 14 -7.639 0.882 -1.515 78 HA CYS 14 HA CYS 14 -10.332 0.170 -0.739 79 HB2 CYS 14 HB2 CYS 14 -8.397 -0.539 -2.807 80 HB3 CYS 14 HB3 CYS 14 -9.345 -1.933 -2.264 81 H GLU 15 H GLU 15 -7.302 -0.683 0.569 82 HA GLU 15 HA GLU 15 -8.233 -3.314 1.573 83 HB2 GLU 15 HB3 GLU 15 -5.862 -2.750 0.633 84 HB3 GLU 15 HB2 GLU 15 -5.596 -1.992 2.210 85 HG2 GLU 15 HG3 GLU 15 -4.709 -4.132 2.471 86 HG3 GLU 15 HG2 GLU 15 -6.310 -4.239 3.223 87 HA PRO 16 HA PRO 16 -9.483 -1.222 5.358 88 HB2 PRO 16 HB3 PRO 16 -10.046 -3.809 6.607 89 HB3 PRO 16 HB2 PRO 16 -11.200 -2.588 6.003 90 HG2 PRO 16 HG2 PRO 16 -10.824 -5.052 4.863 91 HG3 PRO 16 HG3 PRO 16 -11.409 -3.615 3.980 92 HD2 PRO 16 HD2 PRO 16 -8.646 -4.814 4.048 93 HD3 PRO 16 HD3 PRO 16 -9.561 -4.115 2.675 94 H ASP 17 H ASP 17 -7.851 -4.389 6.057 95 HA ASP 17 HA ASP 17 -5.912 -2.930 7.787 96 HB2 ASP 17 HB3 ASP 17 -7.637 -5.275 8.640 97 HB3 ASP 17 HB2 ASP 17 -6.160 -4.790 9.495 98 H LYS 18 H LYS 18 -6.433 -5.126 5.321 99 HA LYS 18 HA LYS 18 -4.178 -6.916 5.951 100 HB2 LYS 18 HB2 LYS 18 -6.128 -6.703 3.649 101 HB3 LYS 18 HB3 LYS 18 -4.738 -7.799 3.600 102 HG2 LYS 18 HG2 LYS 18 -5.570 -8.935 5.623 103 HG3 LYS 18 HG3 LYS 18 -6.964 -7.835 5.665 104 HD2 LYS 18 HD2 LYS 18 -7.675 -8.656 3.454 105 HD3 LYS 18 HD3 LYS 18 -6.281 -9.756 3.411 106 HE2 LYS 18 HE2 LYS 18 -7.123 -10.897 5.424 107 HE3 LYS 18 HE3 LYS 18 -8.517 -9.799 5.467 108 HZ1 LYS 18 HZ1 LYS 18 -9.060 -11.885 4.426 109 HZ2 LYS 18 HZ2 LYS 18 -7.881 -11.684 3.291 110 HZ3 LYS 18 HZ3 LYS 18 -9.176 -10.664 3.324 111 H CYS 19 H CYS 19 -3.891 -3.903 5.426 112 HA CYS 19 HA CYS 19 -2.245 -3.853 2.977 113 HB2 CYS 19 HB3 CYS 19 -2.095 -1.475 3.337 114 HB3 CYS 19 HB2 CYS 19 -3.778 -1.987 3.539 115 H ILE 20 H ILE 20 -0.072 -3.483 2.868 116 HA ILE 20 HA ILE 20 1.441 -4.058 5.365 117 HB ILE 20 HB ILE 20 2.685 -3.968 2.597 118 HG12 ILE 20 HG12 ILE 20 2.364 -6.621 2.930 119 HG13 ILE 20 HG13 ILE 20 0.879 -6.064 3.719 120 HG21 ILE 20 HG21 ILE 20 4.164 -4.066 4.580 121 HG22 ILE 20 HG22 ILE 20 4.291 -5.532 3.578 122 HG23 ILE 20 HG23 ILE 20 3.358 -5.568 5.093 123 HD11 ILE 20 HD11 ILE 20 0.490 -6.580 1.359 124 HD12 ILE 20 HD12 ILE 20 1.748 -5.414 0.885 125 HD13 ILE 20 HD13 ILE 20 0.256 -4.844 1.671 126 H ILE 21 H ILE 21 3.291 -2.810 5.921 127 HA ILE 21 HA ILE 21 2.999 0.024 5.059 128 HB ILE 21 HB ILE 21 4.440 -1.047 7.529 129 HG12 ILE 21 HG12 ILE 21 2.337 0.279 8.555 130 HG13 ILE 21 HG13 ILE 21 1.593 -0.292 7.052 131 HG21 ILE 21 HG21 ILE 21 5.247 1.160 6.747 132 HG22 ILE 21 HG22 ILE 21 3.583 1.784 6.830 133 HG23 ILE 21 HG23 ILE 21 4.413 1.266 8.316 134 HD11 ILE 21 HD11 ILE 21 1.179 -1.848 8.894 135 HD12 ILE 21 HD12 ILE 21 2.931 -2.024 9.153 136 HD13 ILE 21 HD13 ILE 21 2.192 -2.608 7.643 137 H MET 22 H MET 22 4.153 0.165 3.239 138 HA MET 22 HA MET 22 5.952 0.352 1.826 139 HB2 MET 22 HB2 MET 22 7.520 0.715 4.399 140 HB3 MET 22 HB3 MET 22 8.073 1.159 2.776 141 HG2 MET 22 HG3 MET 22 6.555 2.947 2.621 142 HG3 MET 22 HG2 MET 22 5.538 2.315 3.930 143 HE1 MET 22 HE1 MET 22 6.839 5.666 5.487 144 HE2 MET 22 HE2 MET 22 5.413 4.668 5.116 145 HE3 MET 22 HE3 MET 22 6.380 5.365 3.794 146 H LEU 23 H LEU 23 6.580 -1.308 0.635 147 HA LEU 23 HA LEU 23 8.557 -3.183 1.740 148 HB2 LEU 23 HB3 LEU 23 6.838 -4.546 2.398 149 HB3 LEU 23 HB2 LEU 23 5.736 -3.944 1.156 150 HG LEU 23 HG LEU 23 7.340 -5.260 -0.480 151 HD11 LEU 23 HD11 LEU 23 8.973 -5.877 1.261 152 HD12 LEU 23 HD12 LEU 23 7.704 -6.775 2.126 153 HD13 LEU 23 HD13 LEU 23 8.230 -7.310 0.512 154 HD21 LEU 23 HD21 LEU 23 4.938 -5.677 -0.123 155 HD22 LEU 23 HD22 LEU 23 5.855 -7.192 -0.303 156 HD23 LEU 23 HD23 LEU 23 5.328 -6.658 1.311 157 HA PRO 24 HA PRO 24 8.437 -3.957 -2.972 158 HB2 PRO 24 HB3 PRO 24 6.533 -2.173 -4.308 159 HB3 PRO 24 HB2 PRO 24 6.575 -3.958 -4.298 160 HG2 PRO 24 HG3 PRO 24 4.644 -2.473 -3.075 161 HG3 PRO 24 HG2 PRO 24 5.135 -4.101 -2.530 162 HD2 PRO 24 HD2 PRO 24 5.917 -1.401 -1.436 163 HD3 PRO 24 HD3 PRO 24 5.494 -2.911 -0.567 164 H THR 25 H THR 25 9.337 -2.908 -4.933 165 HA THR 25 HA THR 25 10.746 -1.419 -5.968 166 HB THR 25 HB THR 25 9.574 0.953 -4.520 167 HG1 THR 25 HG1 THR 25 7.797 -0.468 -5.022 168 HG21 THR 25 HG21 THR 25 9.462 1.495 -7.182 169 HG22 THR 25 HG22 THR 25 10.818 0.343 -7.151 170 HG23 THR 25 HG23 THR 25 10.887 1.824 -6.166 171 H TRP 26 H TRP 26 12.483 0.313 -5.612 172 HA TRP 26 HA TRP 26 14.177 -0.520 -3.473 173 HB2 TRP 26 HB2 TRP 26 15.219 1.934 -4.210 174 HB3 TRP 26 HB3 TRP 26 15.645 0.360 -4.896 175 HD1 TRP 26 HD1 TRP 26 13.842 -0.318 -7.103 176 HE1 TRP 26 HE1 TRP 26 13.156 1.203 -9.061 177 HE3 TRP 26 HE3 TRP 26 15.034 4.196 -5.019 178 HZ2 TRP 26 HZ2 TRP 26 13.202 3.953 -9.650 179 HZ3 TRP 26 HZ3 TRP 26 14.708 6.236 -6.360 180 HH2 TRP 26 HH2 TRP 26 13.802 6.113 -8.644 181 HA PRO 27 HA PRO 27 13.057 3.432 -1.020 182 HB2 PRO 27 HB2 PRO 27 10.714 4.770 -2.172 183 HB3 PRO 27 HB3 PRO 27 12.364 5.414 -1.946 184 HG2 PRO 27 HG3 PRO 27 11.253 4.909 -4.386 185 HG3 PRO 27 HG2 PRO 27 13.009 4.859 -4.065 186 HD2 PRO 27 HD3 PRO 27 11.028 2.590 -4.232 187 HD3 PRO 27 HD2 PRO 27 12.679 2.703 -4.921 188 HA PRO 28 HA PRO 28 9.630 1.533 1.158 189 HB2 PRO 28 HB2 PRO 28 9.095 3.831 2.899 190 HB3 PRO 28 HB3 PRO 28 9.960 2.317 3.281 191 HG2 PRO 28 HG2 PRO 28 11.168 4.764 3.139 192 HG3 PRO 28 HG3 PRO 28 12.002 3.216 2.827 193 HD2 PRO 28 HD3 PRO 28 10.892 5.213 0.864 194 HD3 PRO 28 HD2 PRO 28 12.440 4.311 0.813 195 H ARG 29 H ARG 29 7.683 1.188 0.241 196 HA ARG 29 HA ARG 29 5.698 3.394 0.169 197 HB2 ARG 29 HB2 ARG 29 6.622 1.836 -2.257 198 HB3 ARG 29 HB3 ARG 29 5.054 2.658 -2.197 199 HG2 ARG 29 HG3 ARG 29 6.112 4.806 -1.961 200 HG3 ARG 29 HG2 ARG 29 7.705 4.054 -1.737 201 HD2 ARG 29 HD2 ARG 29 7.567 3.135 -4.036 202 HD3 ARG 29 HD3 ARG 29 6.016 3.969 -4.258 203 HE ARG 29 HE ARG 29 7.959 5.874 -3.439 204 HH11 ARG 29 HH11 ARG 29 7.211 3.844 -6.248 205 HH12 ARG 29 HH12 ARG 29 7.960 4.950 -7.378 206 HH21 ARG 29 HH21 ARG 29 8.913 7.273 -4.930 207 HH22 ARG 29 HH22 ARG 29 8.918 6.880 -6.634 208 H TYR 30 H TYR 30 3.629 2.780 0.463 209 HA TYR 30 HA TYR 30 3.076 0.134 1.513 210 HB2 TYR 30 HB2 TYR 30 1.258 2.458 0.793 211 HB3 TYR 30 HB3 TYR 30 0.717 0.995 1.627 212 HD1 TYR 30 HD1 TYR 30 2.939 3.971 1.944 213 HD2 TYR 30 HD2 TYR 30 0.960 0.791 3.976 214 HE1 TYR 30 HE1 TYR 30 3.470 5.019 4.100 215 HE2 TYR 30 HE2 TYR 30 1.496 1.833 6.131 216 HH TYR 30 HH TYR 30 1.995 4.274 6.920 217 H VAL 31 H VAL 31 1.129 -1.148 0.801 218 HA VAL 31 HA VAL 31 0.555 -1.032 -2.098 219 HB VAL 31 HB VAL 31 0.813 -3.788 -1.604 220 HG11 VAL 31 HG11 VAL 31 1.106 -2.591 -3.736 221 HG12 VAL 31 HG12 VAL 31 2.663 -1.957 -3.154 222 HG13 VAL 31 HG13 VAL 31 2.451 -3.707 -3.397 223 HG21 VAL 31 HG21 VAL 31 3.139 -4.134 -1.003 224 HG22 VAL 31 HG22 VAL 31 2.295 -3.279 0.310 225 HG23 VAL 31 HG23 VAL 31 3.373 -2.382 -0.787 226 H CYS 32 H CYS 32 -1.359 -1.966 -2.719 227 HA CYS 32 HA CYS 32 -3.098 -2.991 -0.511 228 HB2 CYS 32 HB2 CYS 32 -3.719 -1.011 -2.708 229 HB3 CYS 32 HB3 CYS 32 -4.994 -1.922 -1.885 230 H SER 33 H SER 33 -4.319 -4.762 -0.939 231 HA SER 33 HA SER 33 -4.161 -5.869 -3.714 232 HB2 SER 33 HB2 SER 33 -3.825 -7.314 -1.072 233 HB3 SER 33 HB3 SER 33 -4.061 -8.138 -2.628 234 HG SER 33 HG SER 33 -1.834 -7.901 -2.076 235 H VAL 34 H VAL 34 -6.198 -4.395 -1.954 236 HA VAL 34 HA VAL 34 -8.412 -4.409 -1.409 237 HB VAL 34 HB VAL 34 -8.462 -4.077 -3.848 238 HG11 VAL 34 HG11 VAL 34 -9.418 -5.979 -5.268 239 HG12 VAL 34 HG12 VAL 34 -7.685 -6.040 -4.864 240 HG13 VAL 34 HG13 VAL 34 -8.841 -7.066 -3.982 241 HG21 VAL 34 HG21 VAL 34 -10.515 -3.919 -2.487 242 HG22 VAL 34 HG22 VAL 34 -10.834 -4.406 -4.169 243 HG23 VAL 34 HG23 VAL 34 -10.876 -5.620 -2.868 Start of MODEL 7 1 H1 CYS 1 H1 CYS 1 -11.013 5.232 -4.848 2 H2 CYS 1 H2 CYS 1 -11.832 4.410 -6.020 3 H3 CYS 1 H3 CYS 1 -12.544 4.690 -4.559 4 HA CYS 1 HA CYS 1 -10.971 3.296 -3.437 5 HB2 CYS 1 HB3 CYS 1 -13.078 2.338 -4.353 6 HB3 CYS 1 HB2 CYS 1 -12.222 1.950 -5.854 7 H VAL 2 H VAL 2 -9.137 2.048 -3.441 8 HA VAL 2 HA VAL 2 -7.544 2.030 -5.962 9 HB VAL 2 HB VAL 2 -6.268 2.424 -3.228 10 HG11 VAL 2 HG11 VAL 2 -4.845 1.513 -5.034 11 HG12 VAL 2 HG12 VAL 2 -5.226 2.934 -6.036 12 HG13 VAL 2 HG13 VAL 2 -4.319 3.133 -4.517 13 HG21 VAL 2 HG21 VAL 2 -7.731 4.366 -3.684 14 HG22 VAL 2 HG22 VAL 2 -6.912 4.601 -5.247 15 HG23 VAL 2 HG23 VAL 2 -6.005 4.800 -3.729 16 H SER 3 H SER 3 -8.344 -0.059 -6.286 17 HA SER 3 HA SER 3 -7.932 -2.182 -4.346 18 HB2 SER 3 HB2 SER 3 -8.607 -2.285 -7.305 19 HB3 SER 3 HB3 SER 3 -8.661 -3.667 -6.189 20 HG SER 3 HG SER 3 -10.721 -2.661 -6.459 21 H SER 4 H SER 4 -6.212 -1.065 -7.268 22 HA SER 4 HA SER 4 -3.916 -2.786 -6.455 23 HB2 SER 4 HB2 SER 4 -4.934 -2.457 -9.300 24 HB3 SER 4 HB3 SER 4 -3.471 -3.339 -8.812 25 HG SER 4 HG SER 4 -5.293 -4.727 -9.093 26 H GLY 5 H GLY 5 -2.035 -1.770 -6.370 27 HA2 GLY 5 HA3 GLY 5 -0.598 -0.173 -7.810 28 HA3 GLY 5 HA2 GLY 5 -1.916 0.979 -7.522 29 H ILE 6 H ILE 6 0.166 2.113 -6.754 30 HA ILE 6 HA ILE 6 0.850 1.372 -3.963 31 HB ILE 6 HB ILE 6 2.071 3.469 -5.811 32 HG12 ILE 6 HG12 ILE 6 2.629 1.253 -6.575 33 HG13 ILE 6 HG13 ILE 6 4.061 1.991 -5.846 34 HG21 ILE 6 HG21 ILE 6 3.940 3.458 -4.030 35 HG22 ILE 6 HG22 ILE 6 2.723 2.741 -2.948 36 HG23 ILE 6 HG23 ILE 6 2.444 4.348 -3.661 37 HD11 ILE 6 HD11 ILE 6 3.873 -0.394 -5.273 38 HD12 ILE 6 HD12 ILE 6 3.740 0.625 -3.819 39 HD13 ILE 6 HD13 ILE 6 2.280 -0.098 -4.536 40 H VAL 7 H VAL 7 0.561 2.686 -2.227 41 HA VAL 7 HA VAL 7 -1.030 5.161 -2.628 42 HB VAL 7 HB VAL 7 -2.409 4.535 -0.583 43 HG11 VAL 7 HG11 VAL 7 -3.284 4.527 -2.885 44 HG12 VAL 7 HG12 VAL 7 -4.045 3.281 -1.867 45 HG13 VAL 7 HG13 VAL 7 -2.798 2.823 -3.051 46 HG21 VAL 7 HG21 VAL 7 -1.025 2.646 0.221 47 HG22 VAL 7 HG22 VAL 7 -1.474 1.716 -1.229 48 HG23 VAL 7 HG23 VAL 7 -2.721 2.174 -0.045 49 H ASP 8 H ASP 8 -0.773 6.760 -1.116 50 HA ASP 8 HA ASP 8 1.642 6.491 0.581 51 HB2 ASP 8 HB2 ASP 8 -0.048 8.860 -0.282 52 HB3 ASP 8 HB3 ASP 8 1.275 8.992 0.892 53 H ALA 9 H ALA 9 -1.275 5.457 0.994 54 HA ALA 9 HA ALA 9 -1.430 6.216 3.862 55 HB1 ALA 9 HB1 ALA 9 -3.028 7.576 2.337 56 HB2 ALA 9 HB2 ALA 9 -3.940 6.055 2.187 57 HB3 ALA 9 HB3 ALA 9 -3.704 6.797 3.787 58 H CYS 10 H CYS 10 -3.836 4.809 4.392 59 HA CYS 10 HA CYS 10 -3.526 2.032 3.488 60 HB2 CYS 10 HB2 CYS 10 -2.915 2.874 6.334 61 HB3 CYS 10 HB3 CYS 10 -3.393 1.223 5.909 62 H SER 11 H SER 11 -5.020 4.409 5.659 63 HA SER 11 HA SER 11 -7.468 2.824 5.995 64 HB2 SER 11 HB3 SER 11 -6.800 5.678 6.808 65 HB3 SER 11 HB2 SER 11 -8.256 4.778 7.284 66 HG SER 11 HG SER 11 -6.594 4.685 8.881 67 H GLU 12 H GLU 12 -6.214 5.206 3.818 68 HA GLU 12 HA GLU 12 -8.846 6.071 2.831 69 HB2 GLU 12 HB2 GLU 12 -5.999 6.649 1.987 70 HB3 GLU 12 HB3 GLU 12 -7.398 7.222 1.065 71 HG2 GLU 12 HG3 GLU 12 -8.193 8.447 3.055 72 HG3 GLU 12 HG2 GLU 12 -6.780 7.872 3.961 73 H CYS 13 H CYS 13 -6.398 3.679 2.097 74 HA CYS 13 HA CYS 13 -7.342 3.091 -0.602 75 HB2 CYS 13 HB2 CYS 13 -5.002 2.672 0.466 76 HB3 CYS 13 HB3 CYS 13 -5.738 1.200 1.123 77 H CYS 14 H CYS 14 -8.104 0.830 -1.177 78 HA CYS 14 HA CYS 14 -10.431 0.216 0.510 79 HB2 CYS 14 HB3 CYS 14 -9.522 -0.677 -2.231 80 HB3 CYS 14 HB2 CYS 14 -10.913 -1.408 -1.410 81 H GLU 15 H GLU 15 -7.644 -0.492 1.400 82 HA GLU 15 HA GLU 15 -8.122 -3.413 1.815 83 HB2 GLU 15 HB3 GLU 15 -5.706 -1.948 0.979 84 HB3 GLU 15 HB2 GLU 15 -5.441 -3.046 2.344 85 HG2 GLU 15 HG2 GLU 15 -6.864 -3.969 -0.146 86 HG3 GLU 15 HG3 GLU 15 -5.094 -3.944 -0.053 87 HA PRO 16 HA PRO 16 -8.295 -1.409 5.982 88 HB2 PRO 16 HB3 PRO 16 -10.487 -3.266 6.590 89 HB3 PRO 16 HB2 PRO 16 -10.527 -1.483 6.504 90 HG2 PRO 16 HG2 PRO 16 -11.786 -3.113 4.717 91 HG3 PRO 16 HG3 PRO 16 -11.183 -1.481 4.315 92 HD2 PRO 16 HD3 PRO 16 -9.934 -4.165 3.755 93 HD3 PRO 16 HD2 PRO 16 -10.062 -2.728 2.691 94 H ASP 17 H ASP 17 -7.140 -2.089 7.681 95 HA ASP 17 HA ASP 17 -5.978 -3.397 9.163 96 HB2 ASP 17 HB2 ASP 17 -8.074 -5.458 8.425 97 HB3 ASP 17 HB3 ASP 17 -6.840 -5.723 9.672 98 H LYS 18 H LYS 18 -5.786 -3.828 5.939 99 HA LYS 18 HA LYS 18 -3.506 -5.722 6.225 100 HB2 LYS 18 HB2 LYS 18 -5.733 -5.860 4.178 101 HB3 LYS 18 HB3 LYS 18 -4.157 -6.627 3.918 102 HG2 LYS 18 HG2 LYS 18 -4.488 -7.987 5.943 103 HG3 LYS 18 HG3 LYS 18 -6.066 -7.214 6.206 104 HD2 LYS 18 HD3 LYS 18 -6.847 -8.090 4.032 105 HD3 LYS 18 HD2 LYS 18 -5.270 -8.867 3.785 106 HE2 LYS 18 HE2 LYS 18 -7.021 -9.443 6.186 107 HE3 LYS 18 HE3 LYS 18 -7.147 -10.353 4.667 108 HZ1 LYS 18 HZ1 LYS 18 -5.708 -11.443 6.239 109 HZ2 LYS 18 HZ2 LYS 18 -4.837 -10.965 4.923 110 HZ3 LYS 18 HZ3 LYS 18 -4.726 -10.121 6.335 111 H CYS 19 H CYS 19 -2.243 -3.814 6.286 112 HA CYS 19 HA CYS 19 -1.684 -2.749 3.561 113 HB2 CYS 19 HB3 CYS 19 -3.089 -1.130 4.947 114 HB3 CYS 19 HB2 CYS 19 -1.698 -0.999 6.035 115 H ILE 20 H ILE 20 0.324 -3.245 3.062 116 HA ILE 20 HA ILE 20 2.316 -3.501 5.262 117 HB ILE 20 HB ILE 20 3.725 -4.704 3.493 118 HG12 ILE 20 HG12 ILE 20 1.988 -5.926 1.851 119 HG13 ILE 20 HG13 ILE 20 1.183 -4.352 1.964 120 HG21 ILE 20 HG21 ILE 20 2.559 -5.817 5.359 121 HG22 ILE 20 HG22 ILE 20 2.625 -6.834 3.900 122 HG23 ILE 20 HG23 ILE 20 1.115 -5.998 4.333 123 HD11 ILE 20 HD11 ILE 20 2.680 -4.446 0.031 124 HD12 ILE 20 HD12 ILE 20 4.051 -4.832 1.097 125 HD13 ILE 20 HD13 ILE 20 3.253 -3.245 1.214 126 H ILE 21 H ILE 21 4.523 -2.809 4.871 127 HA ILE 21 HA ILE 21 4.523 -0.208 3.432 128 HB ILE 21 HB ILE 21 6.716 -1.185 5.303 129 HG12 ILE 21 HG13 ILE 21 5.360 0.543 6.877 130 HG13 ILE 21 HG12 ILE 21 4.003 -0.151 5.974 131 HG21 ILE 21 HG21 ILE 21 7.203 0.772 3.865 132 HG22 ILE 21 HG22 ILE 21 5.787 1.609 4.544 133 HG23 ILE 21 HG23 ILE 21 7.168 1.202 5.592 134 HD11 ILE 21 HD11 ILE 21 4.378 -1.354 8.070 135 HD12 ILE 21 HD12 ILE 21 6.047 -1.718 7.572 136 HD13 ILE 21 HD13 ILE 21 4.678 -2.406 6.667 137 H MET 22 H MET 22 5.104 -0.324 1.419 138 HA MET 22 HA MET 22 6.102 -0.898 -0.553 139 HB2 MET 22 HB2 MET 22 8.533 -0.672 -0.657 140 HB3 MET 22 HB3 MET 22 7.779 0.619 0.284 141 HG2 MET 22 HG2 MET 22 9.715 0.102 1.476 142 HG3 MET 22 HG3 MET 22 8.444 -0.761 2.361 143 HE1 MET 22 HE1 MET 22 11.540 -3.158 2.717 144 HE2 MET 22 HE2 MET 22 10.272 -2.253 3.578 145 HE3 MET 22 HE3 MET 22 11.555 -1.378 2.707 146 H LEU 23 H LEU 23 6.602 -2.494 -1.932 147 HA LEU 23 HA LEU 23 7.721 -5.001 -0.812 148 HB2 LEU 23 HB3 LEU 23 5.634 -5.868 -0.778 149 HB3 LEU 23 HB2 LEU 23 4.998 -4.659 -1.900 150 HG LEU 23 HG LEU 23 6.440 -6.092 -3.649 151 HD11 LEU 23 HD11 LEU 23 7.263 -7.662 -1.937 152 HD12 LEU 23 HD12 LEU 23 6.271 -8.482 -3.166 153 HD13 LEU 23 HD13 LEU 23 5.585 -8.125 -1.563 154 HD21 LEU 23 HD21 LEU 23 4.040 -5.557 -3.785 155 HD22 LEU 23 HD22 LEU 23 4.372 -7.241 -4.256 156 HD23 LEU 23 HD23 LEU 23 3.686 -6.884 -2.653 157 HA PRO 24 HA PRO 24 8.742 -5.100 -5.381 158 HB2 PRO 24 HB2 PRO 24 7.392 -3.343 -7.161 159 HB3 PRO 24 HB3 PRO 24 6.986 -5.052 -6.844 160 HG2 PRO 24 HG2 PRO 24 5.433 -2.778 -6.192 161 HG3 PRO 24 HG3 PRO 24 5.150 -4.464 -5.681 162 HD2 PRO 24 HD3 PRO 24 6.436 -2.211 -4.193 163 HD3 PRO 24 HD2 PRO 24 5.471 -3.587 -3.572 164 H THR 25 H THR 25 9.225 -2.680 -3.518 165 HA THR 25 HA THR 25 11.239 -1.366 -5.239 166 HB THR 25 HB THR 25 10.551 0.903 -4.274 167 HG1 THR 25 HG1 THR 25 8.848 0.950 -3.040 168 HG21 THR 25 HG21 THR 25 9.729 -0.441 -6.596 169 HG22 THR 25 HG22 THR 25 9.678 1.312 -6.295 170 HG23 THR 25 HG23 THR 25 8.250 0.309 -5.948 171 H TRP 26 H TRP 26 12.731 0.044 -3.960 172 HA TRP 26 HA TRP 26 13.421 -1.361 -1.476 173 HB2 TRP 26 HB3 TRP 26 15.418 0.384 -1.621 174 HB3 TRP 26 HB2 TRP 26 15.371 -1.096 -2.590 175 HD1 TRP 26 HD1 TRP 26 14.182 -0.639 -5.187 176 HE1 TRP 26 HE1 TRP 26 14.663 1.286 -6.817 177 HE3 TRP 26 HE3 TRP 26 16.294 2.657 -1.885 178 HZ2 TRP 26 HZ2 TRP 26 15.865 3.825 -6.715 179 HZ3 TRP 26 HZ3 TRP 26 17.113 4.814 -2.745 180 HH2 TRP 26 HH2 TRP 26 16.895 5.390 -5.126 181 HA PRO 27 HA PRO 27 12.891 3.021 0.480 182 HB2 PRO 27 HB2 PRO 27 11.090 4.588 -1.269 183 HB3 PRO 27 HB3 PRO 27 12.702 5.021 -0.633 184 HG2 PRO 27 HG2 PRO 27 12.280 4.513 -3.245 185 HG3 PRO 27 HG3 PRO 27 13.807 4.090 -2.420 186 HD2 PRO 27 HD3 PRO 27 11.440 2.320 -3.053 187 HD3 PRO 27 HD2 PRO 27 13.184 2.012 -3.334 188 HA PRO 28 HA PRO 28 8.950 2.097 2.379 189 HB2 PRO 28 HB3 PRO 28 8.470 4.974 3.048 190 HB3 PRO 28 HB2 PRO 28 8.626 3.566 4.137 191 HG2 PRO 28 HG2 PRO 28 10.562 5.393 3.946 192 HG3 PRO 28 HG3 PRO 28 10.939 3.655 4.121 193 HD2 PRO 28 HD3 PRO 28 10.981 5.373 1.646 194 HD3 PRO 28 HD2 PRO 28 12.164 4.144 2.192 195 H ARG 29 H ARG 29 7.134 1.583 1.387 196 HA ARG 29 HA ARG 29 5.463 3.658 0.104 197 HB2 ARG 29 HB2 ARG 29 6.569 1.237 -1.354 198 HB3 ARG 29 HB3 ARG 29 5.113 2.090 -1.896 199 HG2 ARG 29 HG2 ARG 29 6.475 4.183 -2.057 200 HG3 ARG 29 HG3 ARG 29 7.918 3.226 -1.661 201 HD2 ARG 29 HD2 ARG 29 7.533 1.824 -3.645 202 HD3 ARG 29 HD3 ARG 29 6.083 2.769 -4.039 203 HE ARG 29 HE ARG 29 8.395 4.469 -3.794 204 HH11 ARG 29 HH11 ARG 29 6.841 2.178 -6.009 205 HH12 ARG 29 HH12 ARG 29 7.561 2.903 -7.429 206 HH21 ARG 29 HH21 ARG 29 9.303 5.373 -5.651 207 HH22 ARG 29 HH22 ARG 29 8.947 4.702 -7.226 208 H TYR 30 H TYR 30 3.653 1.783 -1.111 209 HA TYR 30 HA TYR 30 2.726 -0.092 0.951 210 HB2 TYR 30 HB2 TYR 30 1.127 2.407 0.285 211 HB3 TYR 30 HB3 TYR 30 0.449 0.984 1.090 212 HD1 TYR 30 HD1 TYR 30 2.339 4.047 1.500 213 HD2 TYR 30 HD2 TYR 30 1.310 0.372 3.396 214 HE1 TYR 30 HE1 TYR 30 3.012 4.979 3.669 215 HE2 TYR 30 HE2 TYR 30 1.984 1.302 5.566 216 HH TYR 30 HH TYR 30 2.166 3.711 6.561 217 H VAL 31 H VAL 31 1.161 -1.538 0.175 218 HA VAL 31 HA VAL 31 0.363 -1.193 -2.681 219 HB VAL 31 HB VAL 31 1.204 -3.897 -1.574 220 HG11 VAL 31 HG11 VAL 31 -0.318 -3.889 -3.524 221 HG12 VAL 31 HG12 VAL 31 0.864 -2.912 -4.427 222 HG13 VAL 31 HG13 VAL 31 1.280 -4.567 -3.919 223 HG21 VAL 31 HG21 VAL 31 3.175 -2.407 -1.556 224 HG22 VAL 31 HG22 VAL 31 3.318 -3.701 -2.768 225 HG23 VAL 31 HG23 VAL 31 2.903 -2.047 -3.278 226 H CYS 32 H CYS 32 -1.614 -1.999 -3.254 227 HA CYS 32 HA CYS 32 -3.288 -3.095 -1.033 228 HB2 CYS 32 HB2 CYS 32 -3.950 -0.997 -3.107 229 HB3 CYS 32 HB3 CYS 32 -5.205 -1.892 -2.235 230 H SER 33 H SER 33 -4.558 -4.813 -1.478 231 HA SER 33 HA SER 33 -4.671 -5.749 -4.315 232 HB2 SER 33 HB3 SER 33 -3.985 -7.368 -1.844 233 HB3 SER 33 HB2 SER 33 -4.416 -8.086 -3.411 234 HG SER 33 HG SER 33 -2.137 -7.851 -3.138 235 H VAL 34 H VAL 34 -6.501 -4.426 -2.264 236 HA VAL 34 HA VAL 34 -8.638 -4.490 -1.485 237 HB VAL 34 HB VAL 34 -8.959 -4.176 -3.926 238 HG11 VAL 34 HG11 VAL 34 -10.166 -6.116 -5.130 239 HG12 VAL 34 HG12 VAL 34 -8.389 -6.131 -5.041 240 HG13 VAL 34 HG13 VAL 34 -9.343 -7.159 -3.946 241 HG21 VAL 34 HG21 VAL 34 -10.807 -3.950 -2.307 242 HG22 VAL 34 HG22 VAL 34 -11.357 -4.455 -3.922 243 HG23 VAL 34 HG23 VAL 34 -11.251 -5.647 -2.605 Start of MODEL 8 1 H1 CYS 1 H1 CYS 1 -11.390 5.126 -6.087 2 H2 CYS 1 H2 CYS 1 -12.075 3.662 -6.415 3 H3 CYS 1 H3 CYS 1 -12.715 4.628 -5.241 4 HA CYS 1 HA CYS 1 -10.776 4.407 -3.884 5 HB2 CYS 1 HB3 CYS 1 -12.715 2.744 -3.835 6 HB3 CYS 1 HB2 CYS 1 -11.693 1.668 -4.802 7 H VAL 2 H VAL 2 -9.010 2.524 -3.528 8 HA VAL 2 HA VAL 2 -7.404 2.332 -6.034 9 HB VAL 2 HB VAL 2 -6.137 2.799 -3.309 10 HG11 VAL 2 HG11 VAL 2 -4.730 1.797 -5.078 11 HG12 VAL 2 HG12 VAL 2 -4.168 3.420 -4.612 12 HG13 VAL 2 HG13 VAL 2 -5.074 3.193 -6.127 13 HG21 VAL 2 HG21 VAL 2 -7.554 4.756 -3.834 14 HG22 VAL 2 HG22 VAL 2 -6.725 4.923 -5.400 15 HG23 VAL 2 HG23 VAL 2 -5.819 5.150 -3.885 16 H SER 3 H SER 3 -8.200 0.260 -6.305 17 HA SER 3 HA SER 3 -8.010 -1.813 -4.311 18 HB2 SER 3 HB2 SER 3 -8.278 -1.994 -7.330 19 HB3 SER 3 HB3 SER 3 -8.514 -3.338 -6.192 20 HG SER 3 HG SER 3 -10.495 -2.306 -6.772 21 H SER 4 H SER 4 -5.915 -0.871 -7.062 22 HA SER 4 HA SER 4 -3.778 -2.573 -5.862 23 HB2 SER 4 HB2 SER 4 -3.022 -3.137 -8.183 24 HB3 SER 4 HB3 SER 4 -4.587 -3.848 -7.735 25 HG SER 4 HG SER 4 -4.613 -2.894 -9.836 26 H GLY 5 H GLY 5 -1.665 -1.881 -6.109 27 HA2 GLY 5 HA2 GLY 5 -0.088 -0.328 -7.210 28 HA3 GLY 5 HA3 GLY 5 -1.364 0.903 -7.165 29 H ILE 6 H ILE 6 0.713 1.949 -6.216 30 HA ILE 6 HA ILE 6 1.023 1.369 -3.328 31 HB ILE 6 HB ILE 6 2.529 3.298 -5.150 32 HG12 ILE 6 HG13 ILE 6 3.079 0.999 -5.677 33 HG13 ILE 6 HG12 ILE 6 4.443 1.773 -4.861 34 HG21 ILE 6 HG21 ILE 6 4.179 3.376 -3.173 35 HG22 ILE 6 HG22 ILE 6 2.677 4.321 -3.033 36 HG23 ILE 6 HG23 ILE 6 2.830 2.762 -2.187 37 HD11 ILE 6 HD11 ILE 6 4.161 -0.538 -4.103 38 HD12 ILE 6 HD12 ILE 6 3.878 0.605 -2.768 39 HD13 ILE 6 HD13 ILE 6 2.499 -0.177 -3.578 40 H VAL 7 H VAL 7 0.601 2.794 -1.707 41 HA VAL 7 HA VAL 7 -0.769 5.329 -2.390 42 HB VAL 7 HB VAL 7 -2.502 4.825 -0.577 43 HG11 VAL 7 HG11 VAL 7 -2.997 4.909 -2.987 44 HG12 VAL 7 HG12 VAL 7 -2.624 3.174 -3.114 45 HG13 VAL 7 HG13 VAL 7 -4.005 3.718 -2.132 46 HG21 VAL 7 HG21 VAL 7 -1.416 2.821 0.393 47 HG22 VAL 7 HG22 VAL 7 -3.079 2.489 -0.148 48 HG23 VAL 7 HG23 VAL 7 -1.698 1.944 -1.130 49 H ASP 8 H ASP 8 -0.701 6.920 -0.842 50 HA ASP 8 HA ASP 8 1.414 6.562 1.199 51 HB2 ASP 8 HB3 ASP 8 -0.068 8.995 0.139 52 HB3 ASP 8 HB2 ASP 8 1.090 9.065 1.481 53 H ALA 9 H ALA 9 -1.517 5.560 1.213 54 HA ALA 9 HA ALA 9 -2.140 6.482 3.978 55 HB1 ALA 9 HB1 ALA 9 -3.597 7.443 2.024 56 HB2 ALA 9 HB2 ALA 9 -4.344 5.828 2.036 57 HB3 ALA 9 HB3 ALA 9 -4.385 6.839 3.501 58 H CYS 10 H CYS 10 -4.241 4.916 4.612 59 HA CYS 10 HA CYS 10 -3.626 2.099 3.968 60 HB2 CYS 10 HB2 CYS 10 -2.094 2.592 5.821 61 HB3 CYS 10 HB3 CYS 10 -3.437 3.213 6.794 62 H SER 11 H SER 11 -5.511 4.480 5.815 63 HA SER 11 HA SER 11 -7.819 2.653 6.022 64 HB2 SER 11 HB3 SER 11 -7.455 5.533 6.932 65 HB3 SER 11 HB2 SER 11 -8.860 4.504 7.283 66 HG SER 11 HG SER 11 -7.315 4.512 8.996 67 H GLU 12 H GLU 12 -6.588 5.060 3.903 68 HA GLU 12 HA GLU 12 -9.221 5.777 2.779 69 HB2 GLU 12 HB3 GLU 12 -6.383 6.593 2.090 70 HB3 GLU 12 HB2 GLU 12 -7.795 7.092 1.146 71 HG2 GLU 12 HG2 GLU 12 -7.644 7.619 4.108 72 HG3 GLU 12 HG3 GLU 12 -6.864 8.703 2.942 73 H CYS 13 H CYS 13 -6.541 3.599 2.158 74 HA CYS 13 HA CYS 13 -7.230 3.028 -0.613 75 HB2 CYS 13 HB3 CYS 13 -4.967 2.685 0.636 76 HB3 CYS 13 HB2 CYS 13 -5.691 1.169 1.198 77 H CYS 14 H CYS 14 -7.830 0.782 -1.339 78 HA CYS 14 HA CYS 14 -10.310 -0.011 -0.048 79 HB2 CYS 14 HB2 CYS 14 -8.860 -0.600 -2.542 80 HB3 CYS 14 HB3 CYS 14 -9.794 -1.964 -1.908 81 H GLU 15 H GLU 15 -7.172 -0.721 0.763 82 HA GLU 15 HA GLU 15 -7.859 -3.467 1.719 83 HB2 GLU 15 HB2 GLU 15 -5.796 -2.850 0.150 84 HB3 GLU 15 HB3 GLU 15 -5.044 -2.431 1.698 85 HG2 GLU 15 HG3 GLU 15 -5.259 -4.659 2.509 86 HG3 GLU 15 HG2 GLU 15 -6.358 -5.107 1.191 87 HA PRO 16 HA PRO 16 -7.625 -0.901 5.565 88 HB2 PRO 16 HB2 PRO 16 -10.103 -2.073 6.506 89 HB3 PRO 16 HB3 PRO 16 -9.820 -0.404 5.940 90 HG2 PRO 16 HG2 PRO 16 -11.388 -2.281 4.643 91 HG3 PRO 16 HG3 PRO 16 -10.663 -0.838 3.882 92 HD2 PRO 16 HD3 PRO 16 -9.719 -3.693 3.845 93 HD3 PRO 16 HD2 PRO 16 -9.710 -2.474 2.531 94 H ASP 17 H ASP 17 -8.601 -4.324 5.232 95 HA ASP 17 HA ASP 17 -7.666 -4.949 7.964 96 HB2 ASP 17 HB2 ASP 17 -8.995 -6.601 5.801 97 HB3 ASP 17 HB3 ASP 17 -8.409 -7.294 7.326 98 H LYS 18 H LYS 18 -6.849 -5.818 4.584 99 HA LYS 18 HA LYS 18 -4.391 -7.177 5.541 100 HB2 LYS 18 HB3 LYS 18 -6.122 -8.007 3.708 101 HB3 LYS 18 HB2 LYS 18 -5.161 -6.964 2.647 102 HG2 LYS 18 HG3 LYS 18 -3.130 -8.214 3.229 103 HG3 LYS 18 HG2 LYS 18 -4.077 -9.252 4.315 104 HD2 LYS 18 HD2 LYS 18 -5.432 -10.018 2.408 105 HD3 LYS 18 HD3 LYS 18 -4.487 -8.983 1.317 106 HE2 LYS 18 HE2 LYS 18 -3.568 -11.153 1.092 107 HE3 LYS 18 HE3 LYS 18 -2.426 -10.259 2.116 108 HZ1 LYS 18 HZ1 LYS 18 -2.862 -12.451 2.974 109 HZ2 LYS 18 HZ2 LYS 18 -3.423 -11.316 4.030 110 HZ3 LYS 18 HZ3 LYS 18 -4.479 -12.146 3.074 111 H CYS 19 H CYS 19 -4.480 -4.399 5.957 112 HA CYS 19 HA CYS 19 -3.019 -3.040 3.814 113 HB2 CYS 19 HB2 CYS 19 -4.670 -1.891 5.257 114 HB3 CYS 19 HB3 CYS 19 -3.628 -2.171 6.660 115 H ILE 20 H ILE 20 -0.935 -3.206 3.467 116 HA ILE 20 HA ILE 20 0.856 -3.937 5.747 117 HB ILE 20 HB ILE 20 1.690 -4.190 2.844 118 HG12 ILE 20 HG12 ILE 20 1.067 -6.750 3.396 119 HG13 ILE 20 HG13 ILE 20 -0.217 -5.950 4.319 120 HG21 ILE 20 HG21 ILE 20 3.390 -4.391 4.632 121 HG22 ILE 20 HG22 ILE 20 3.190 -5.908 3.724 122 HG23 ILE 20 HG23 ILE 20 2.468 -5.737 5.342 123 HD11 ILE 20 HD11 ILE 20 0.356 -5.626 1.358 124 HD12 ILE 20 HD12 ILE 20 -0.888 -4.730 2.263 125 HD13 ILE 20 HD13 ILE 20 -1.011 -6.498 2.093 126 H ILE 21 H ILE 21 2.902 -2.907 5.910 127 HA ILE 21 HA ILE 21 2.832 -0.126 4.852 128 HB ILE 21 HB ILE 21 4.684 -1.126 7.052 129 HG12 ILE 21 HG12 ILE 21 2.832 0.234 8.456 130 HG13 ILE 21 HG13 ILE 21 1.782 -0.442 7.198 131 HG21 ILE 21 HG21 ILE 21 5.227 1.041 5.987 132 HG22 ILE 21 HG22 ILE 21 4.767 1.231 7.696 133 HG23 ILE 21 HG23 ILE 21 3.607 1.643 6.411 134 HD11 ILE 21 HD11 ILE 21 1.841 -1.884 9.173 135 HD12 ILE 21 HD12 ILE 21 3.611 -2.019 9.036 136 HD13 ILE 21 HD13 ILE 21 2.565 -2.707 7.770 137 H MET 22 H MET 22 3.635 -0.309 2.848 138 HA MET 22 HA MET 22 5.071 -0.628 1.100 139 HB2 MET 22 HB2 MET 22 7.298 0.294 1.346 140 HB3 MET 22 HB3 MET 22 6.091 1.309 2.141 141 HG2 MET 22 HG2 MET 22 7.880 1.348 3.620 142 HG3 MET 22 HG3 MET 22 6.826 0.105 4.319 143 HE1 MET 22 HE1 MET 22 10.437 -1.236 5.122 144 HE2 MET 22 HE2 MET 22 9.905 0.462 5.097 145 HE3 MET 22 HE3 MET 22 8.850 -0.791 5.793 146 H LEU 23 H LEU 23 6.102 -2.120 -0.069 147 HA LEU 23 HA LEU 23 7.653 -4.190 1.395 148 HB2 LEU 23 HB2 LEU 23 5.905 -5.578 1.166 149 HB3 LEU 23 HB3 LEU 23 5.141 -4.598 -0.091 150 HG LEU 23 HG LEU 23 7.163 -5.649 -1.536 151 HD11 LEU 23 HD11 LEU 23 8.059 -6.927 0.371 152 HD12 LEU 23 HD12 LEU 23 6.506 -7.785 0.518 153 HD13 LEU 23 HD13 LEU 23 7.504 -7.995 -0.941 154 HD21 LEU 23 HD21 LEU 23 4.757 -5.732 -2.060 155 HD22 LEU 23 HD22 LEU 23 4.560 -7.080 -0.915 156 HD23 LEU 23 HD23 LEU 23 5.558 -7.290 -2.374 157 HA PRO 24 HA PRO 24 9.421 -4.199 -2.956 158 HB2 PRO 24 HB2 PRO 24 7.996 -2.794 -5.003 159 HB3 PRO 24 HB3 PRO 24 8.019 -4.556 -4.722 160 HG2 PRO 24 HG3 PRO 24 5.814 -2.847 -4.421 161 HG3 PRO 24 HG2 PRO 24 5.946 -4.525 -3.827 162 HD2 PRO 24 HD2 PRO 24 6.314 -1.939 -2.347 163 HD3 PRO 24 HD3 PRO 24 5.645 -3.503 -1.783 164 H THR 25 H THR 25 9.154 -1.762 -1.140 165 HA THR 25 HA THR 25 11.003 -0.016 -2.650 166 HB THR 25 HB THR 25 9.709 2.025 -1.748 167 HG1 THR 25 HG1 THR 25 7.958 1.551 -0.680 168 HG21 THR 25 HG21 THR 25 8.224 2.103 -3.712 169 HG22 THR 25 HG22 THR 25 8.467 0.358 -3.964 170 HG23 THR 25 HG23 THR 25 9.837 1.481 -4.138 171 H TRP 26 H TRP 26 12.426 1.132 -1.401 172 HA TRP 26 HA TRP 26 12.869 0.132 1.287 173 HB2 TRP 26 HB2 TRP 26 14.353 2.542 0.338 174 HB3 TRP 26 HB3 TRP 26 14.944 1.102 1.185 175 HD1 TRP 26 HD1 TRP 26 13.754 2.133 -2.373 176 HE1 TRP 26 HE1 TRP 26 14.924 0.660 -4.117 177 HE3 TRP 26 HE3 TRP 26 16.377 -0.896 0.814 178 HZ2 TRP 26 HZ2 TRP 26 16.783 -1.449 -4.125 179 HZ3 TRP 26 HZ3 TRP 26 17.856 -2.611 -0.151 180 HH2 TRP 26 HH2 TRP 26 18.057 -2.880 -2.588 181 HA PRO 27 HA PRO 27 11.758 4.608 2.775 182 HB2 PRO 27 HB2 PRO 27 10.137 5.866 0.631 183 HB3 PRO 27 HB3 PRO 27 11.569 6.503 1.487 184 HG2 PRO 27 HG2 PRO 27 11.665 5.779 -1.098 185 HG3 PRO 27 HG3 PRO 27 13.048 5.546 0.010 186 HD2 PRO 27 HD3 PRO 27 10.978 3.539 -0.889 187 HD3 PRO 27 HD2 PRO 27 12.760 3.366 -0.819 188 HA PRO 28 HA PRO 28 7.662 3.579 4.241 189 HB2 PRO 28 HB3 PRO 28 6.884 6.480 4.311 190 HB3 PRO 28 HB2 PRO 28 6.869 5.268 5.625 191 HG2 PRO 28 HG2 PRO 28 8.732 7.162 5.537 192 HG3 PRO 28 HG3 PRO 28 9.144 5.492 6.020 193 HD2 PRO 28 HD2 PRO 28 9.623 6.887 3.393 194 HD3 PRO 28 HD3 PRO 28 10.686 5.776 4.311 195 H ARG 29 H ARG 29 6.184 2.666 3.009 196 HA ARG 29 HA ARG 29 4.451 4.292 1.268 197 HB2 ARG 29 HB2 ARG 29 6.414 2.274 0.243 198 HB3 ARG 29 HB3 ARG 29 4.816 2.346 -0.523 199 HG2 ARG 29 HG3 ARG 29 5.139 4.679 -1.089 200 HG3 ARG 29 HG2 ARG 29 6.660 4.729 -0.174 201 HD2 ARG 29 HD2 ARG 29 7.711 3.198 -1.713 202 HD3 ARG 29 HD3 ARG 29 6.178 2.926 -2.565 203 HE ARG 29 HE ARG 29 6.294 5.340 -3.245 204 HH11 ARG 29 HH11 ARG 29 9.282 3.669 -2.311 205 HH12 ARG 29 HH12 ARG 29 10.296 4.746 -3.245 206 HH21 ARG 29 HH21 ARG 29 7.639 6.700 -4.434 207 HH22 ARG 29 HH22 ARG 29 9.371 6.451 -4.439 208 H TYR 30 H TYR 30 3.090 2.236 -0.030 209 HA TYR 30 HA TYR 30 2.217 0.242 1.958 210 HB2 TYR 30 HB3 TYR 30 0.387 2.483 1.013 211 HB3 TYR 30 HB2 TYR 30 -0.190 0.979 1.747 212 HD1 TYR 30 HD1 TYR 30 1.277 4.248 2.374 213 HD2 TYR 30 HD2 TYR 30 0.344 0.485 4.144 214 HE1 TYR 30 HE1 TYR 30 1.517 5.239 4.607 215 HE2 TYR 30 HE2 TYR 30 0.586 1.476 6.378 216 HH TYR 30 HH TYR 30 1.894 3.513 7.358 217 H VAL 31 H VAL 31 0.683 -1.310 1.059 218 HA VAL 31 HA VAL 31 0.495 -1.232 -1.918 219 HB VAL 31 HB VAL 31 1.161 -3.799 -0.426 220 HG11 VAL 31 HG11 VAL 31 0.043 -4.029 -2.621 221 HG12 VAL 31 HG12 VAL 31 1.703 -4.670 -2.638 222 HG13 VAL 31 HG13 VAL 31 1.352 -3.086 -3.372 223 HG21 VAL 31 HG21 VAL 31 3.053 -2.230 -0.179 224 HG22 VAL 31 HG22 VAL 31 3.458 -3.620 -1.213 225 HG23 VAL 31 HG23 VAL 31 3.107 -2.037 -1.947 226 H CYS 32 H CYS 32 -1.314 -2.016 -2.800 227 HA CYS 32 HA CYS 32 -3.336 -3.314 -1.033 228 HB2 CYS 32 HB3 CYS 32 -3.780 -0.966 -2.911 229 HB3 CYS 32 HB2 CYS 32 -5.087 -1.961 -2.249 230 H SER 33 H SER 33 -3.927 -5.205 -1.874 231 HA SER 33 HA SER 33 -3.823 -5.517 -4.850 232 HB2 SER 33 HB2 SER 33 -2.909 -7.440 -2.697 233 HB3 SER 33 HB3 SER 33 -3.155 -7.909 -4.392 234 HG SER 33 HG SER 33 -0.972 -7.311 -3.943 235 H VAL 34 H VAL 34 -5.978 -5.000 -2.768 236 HA VAL 34 HA VAL 34 -7.675 -7.388 -2.991 237 HB VAL 34 HB VAL 34 -9.363 -5.833 -1.791 238 HG11 VAL 34 HG11 VAL 34 -8.129 -7.690 -0.743 239 HG12 VAL 34 HG12 VAL 34 -8.368 -6.324 0.372 240 HG13 VAL 34 HG13 VAL 34 -6.781 -6.582 -0.392 241 HG21 VAL 34 HG21 VAL 34 -8.215 -3.696 -2.268 242 HG22 VAL 34 HG22 VAL 34 -6.830 -4.233 -1.287 243 HG23 VAL 34 HG23 VAL 34 -8.416 -3.975 -0.522 Start of MODEL 9 1 H1 CYS 1 H1 CYS 1 -10.893 5.085 -4.942 2 H2 CYS 1 H2 CYS 1 -11.605 4.253 -6.174 3 H3 CYS 1 H3 CYS 1 -12.414 4.477 -4.755 4 HA CYS 1 HA CYS 1 -10.855 3.128 -3.562 5 HB2 CYS 1 HB2 CYS 1 -12.857 2.104 -4.609 6 HB3 CYS 1 HB3 CYS 1 -11.913 1.777 -6.071 7 H VAL 2 H VAL 2 -8.980 1.929 -3.486 8 HA VAL 2 HA VAL 2 -7.236 2.039 -5.902 9 HB VAL 2 HB VAL 2 -6.146 2.414 -3.085 10 HG11 VAL 2 HG11 VAL 2 -5.022 2.328 -5.826 11 HG12 VAL 2 HG12 VAL 2 -4.387 3.616 -4.775 12 HG13 VAL 2 HG13 VAL 2 -4.277 1.915 -4.263 13 HG21 VAL 2 HG21 VAL 2 -7.651 4.310 -3.587 14 HG22 VAL 2 HG22 VAL 2 -6.748 4.615 -5.091 15 HG23 VAL 2 HG23 VAL 2 -5.944 4.809 -3.515 16 H SER 3 H SER 3 -7.915 -0.071 -6.327 17 HA SER 3 HA SER 3 -7.550 -2.223 -4.410 18 HB2 SER 3 HB3 SER 3 -8.026 -2.278 -7.410 19 HB3 SER 3 HB2 SER 3 -8.088 -3.689 -6.332 20 HG SER 3 HG SER 3 -10.170 -2.768 -6.709 21 H SER 4 H SER 4 -5.679 -0.971 -7.182 22 HA SER 4 HA SER 4 -3.374 -2.615 -6.244 23 HB2 SER 4 HB3 SER 4 -4.244 -2.307 -9.142 24 HB3 SER 4 HB2 SER 4 -2.757 -3.103 -8.583 25 HG SER 4 HG SER 4 -4.472 -4.597 -8.968 26 H GLY 5 H GLY 5 -1.499 -1.563 -6.112 27 HA2 GLY 5 HA2 GLY 5 -0.051 0.097 -7.417 28 HA3 GLY 5 HA3 GLY 5 -1.423 1.206 -7.240 29 H ILE 6 H ILE 6 0.437 2.491 -6.332 30 HA ILE 6 HA ILE 6 1.131 1.784 -3.539 31 HB ILE 6 HB ILE 6 2.075 4.076 -5.318 32 HG12 ILE 6 HG13 ILE 6 2.977 2.018 -6.149 33 HG13 ILE 6 HG12 ILE 6 4.263 2.890 -5.305 34 HG21 ILE 6 HG21 ILE 6 3.916 4.260 -3.506 35 HG22 ILE 6 HG22 ILE 6 2.767 3.394 -2.459 36 HG23 ILE 6 HG23 ILE 6 2.318 4.964 -3.165 37 HD11 ILE 6 HD11 ILE 6 4.321 0.447 -4.889 38 HD12 ILE 6 HD12 ILE 6 2.714 0.557 -4.132 39 HD13 ILE 6 HD13 ILE 6 4.103 1.392 -3.397 40 H VAL 7 H VAL 7 0.779 3.194 -1.780 41 HA VAL 7 HA VAL 7 -1.176 5.374 -2.205 42 HB VAL 7 HB VAL 7 -2.504 4.562 -0.176 43 HG11 VAL 7 HG11 VAL 7 -3.339 4.537 -2.494 44 HG12 VAL 7 HG12 VAL 7 -2.673 2.900 -2.703 45 HG13 VAL 7 HG13 VAL 7 -3.979 3.186 -1.527 46 HG21 VAL 7 HG21 VAL 7 -2.523 1.899 -0.226 47 HG22 VAL 7 HG22 VAL 7 -1.449 2.810 0.861 48 HG23 VAL 7 HG23 VAL 7 -0.814 2.141 -0.660 49 H ASP 8 H ASP 8 -1.082 7.029 -0.794 50 HA ASP 8 HA ASP 8 1.246 7.049 1.035 51 HB2 ASP 8 HB3 ASP 8 -0.635 9.217 0.038 52 HB3 ASP 8 HB2 ASP 8 0.627 9.500 1.252 53 H ALA 9 H ALA 9 -1.634 5.803 1.302 54 HA ALA 9 HA ALA 9 -1.985 6.579 4.151 55 HB1 ALA 9 HB1 ALA 9 -3.622 7.742 2.509 56 HB2 ALA 9 HB2 ALA 9 -4.297 6.929 3.941 57 HB3 ALA 9 HB3 ALA 9 -4.371 6.135 2.350 58 H CYS 10 H CYS 10 -4.259 4.942 4.600 59 HA CYS 10 HA CYS 10 -3.635 2.199 3.760 60 HB2 CYS 10 HB3 CYS 10 -2.037 2.584 5.639 61 HB3 CYS 10 HB2 CYS 10 -3.408 2.980 6.688 62 H SER 11 H SER 11 -5.433 4.455 5.818 63 HA SER 11 HA SER 11 -7.737 2.636 6.058 64 HB2 SER 11 HB3 SER 11 -7.349 5.512 6.969 65 HB3 SER 11 HB2 SER 11 -8.738 4.476 7.364 66 HG SER 11 HG SER 11 -7.135 4.482 9.023 67 H GLU 12 H GLU 12 -6.597 5.131 3.960 68 HA GLU 12 HA GLU 12 -9.253 5.836 2.909 69 HB2 GLU 12 HB2 GLU 12 -6.428 6.618 2.164 70 HB3 GLU 12 HB3 GLU 12 -7.832 7.107 1.201 71 HG2 GLU 12 HG2 GLU 12 -8.776 8.246 3.171 72 HG3 GLU 12 HG3 GLU 12 -7.362 7.761 4.127 73 H CYS 13 H CYS 13 -6.615 3.639 2.194 74 HA CYS 13 HA CYS 13 -7.419 3.035 -0.538 75 HB2 CYS 13 HB3 CYS 13 -5.112 2.693 0.646 76 HB3 CYS 13 HB2 CYS 13 -5.828 1.184 1.238 77 H CYS 14 H CYS 14 -8.074 0.772 -1.193 78 HA CYS 14 HA CYS 14 -10.433 0.003 0.382 79 HB2 CYS 14 HB2 CYS 14 -9.351 -0.811 -2.319 80 HB3 CYS 14 HB3 CYS 14 -10.755 -1.604 -1.584 81 H GLU 15 H GLU 15 -7.711 -0.531 1.428 82 HA GLU 15 HA GLU 15 -7.979 -3.484 1.793 83 HB2 GLU 15 HB2 GLU 15 -5.507 -1.783 1.431 84 HB3 GLU 15 HB3 GLU 15 -5.433 -3.360 2.235 85 HG2 GLU 15 HG2 GLU 15 -6.716 -3.106 -0.472 86 HG3 GLU 15 HG3 GLU 15 -4.948 -3.154 -0.332 87 HA PRO 16 HA PRO 16 -8.368 -1.600 5.970 88 HB2 PRO 16 HB2 PRO 16 -10.210 -3.763 6.656 89 HB3 PRO 16 HB3 PRO 16 -10.556 -2.022 6.466 90 HG2 PRO 16 HG2 PRO 16 -11.483 -3.972 4.776 91 HG3 PRO 16 HG3 PRO 16 -11.242 -2.265 4.313 92 HD2 PRO 16 HD3 PRO 16 -9.474 -4.648 3.802 93 HD3 PRO 16 HD2 PRO 16 -9.890 -3.287 2.713 94 H ASP 17 H ASP 17 -8.088 -5.085 5.196 95 HA ASP 17 HA ASP 17 -6.537 -5.469 7.723 96 HB2 ASP 17 HB3 ASP 17 -8.131 -7.416 6.034 97 HB3 ASP 17 HB2 ASP 17 -7.014 -7.926 7.314 98 H LYS 18 H LYS 18 -6.544 -6.046 4.215 99 HA LYS 18 HA LYS 18 -3.873 -7.296 4.327 100 HB2 LYS 18 HB2 LYS 18 -5.945 -7.867 2.786 101 HB3 LYS 18 HB3 LYS 18 -5.278 -6.579 1.768 102 HG2 LYS 18 HG2 LYS 18 -3.134 -7.788 1.650 103 HG3 LYS 18 HG3 LYS 18 -3.804 -9.076 2.673 104 HD2 LYS 18 HD3 LYS 18 -5.535 -9.517 0.962 105 HD3 LYS 18 HD2 LYS 18 -4.841 -8.240 -0.058 106 HE2 LYS 18 HE2 LYS 18 -3.975 -10.271 -0.905 107 HE3 LYS 18 HE3 LYS 18 -2.652 -9.540 0.025 108 HZ1 LYS 18 HZ1 LYS 18 -2.875 -11.878 0.485 109 HZ2 LYS 18 HZ2 LYS 18 -3.213 -11.006 1.844 110 HZ3 LYS 18 HZ3 LYS 18 -4.439 -11.685 0.974 111 H CYS 19 H CYS 19 -4.091 -4.553 5.229 112 HA CYS 19 HA CYS 19 -2.736 -2.998 3.087 113 HB2 CYS 19 HB3 CYS 19 -4.617 -1.944 4.291 114 HB3 CYS 19 HB2 CYS 19 -3.758 -2.167 5.822 115 H ILE 20 H ILE 20 -0.606 -2.753 3.041 116 HA ILE 20 HA ILE 20 0.933 -3.456 5.508 117 HB ILE 20 HB ILE 20 2.152 -3.451 2.728 118 HG12 ILE 20 HG12 ILE 20 1.816 -6.091 3.139 119 HG13 ILE 20 HG13 ILE 20 0.340 -5.501 3.922 120 HG21 ILE 20 HG21 ILE 20 3.650 -3.508 4.699 121 HG22 ILE 20 HG22 ILE 20 3.755 -4.999 3.734 122 HG23 ILE 20 HG23 ILE 20 2.838 -4.990 5.259 123 HD11 ILE 20 HD11 ILE 20 -0.068 -6.080 1.581 124 HD12 ILE 20 HD12 ILE 20 1.195 -4.937 1.066 125 HD13 ILE 20 HD13 ILE 20 -0.287 -4.333 1.846 126 H ILE 21 H ILE 21 2.796 -2.228 6.012 127 HA ILE 21 HA ILE 21 2.592 0.582 5.033 128 HB ILE 21 HB ILE 21 3.878 -0.399 7.624 129 HG12 ILE 21 HG13 ILE 21 1.740 1.025 8.466 130 HG13 ILE 21 HG12 ILE 21 1.077 0.358 6.964 131 HG21 ILE 21 HG21 ILE 21 4.767 1.750 6.779 132 HG22 ILE 21 HG22 ILE 21 3.862 1.947 8.299 133 HG23 ILE 21 HG23 ILE 21 3.114 2.410 6.751 134 HD11 ILE 21 HD11 ILE 21 0.547 -1.071 8.877 135 HD12 ILE 21 HD12 ILE 21 1.608 -1.914 7.723 136 HD13 ILE 21 HD13 ILE 21 2.282 -1.253 9.232 137 H MET 22 H MET 22 3.838 0.519 3.248 138 HA MET 22 HA MET 22 5.711 0.533 1.923 139 HB2 MET 22 HB3 MET 22 7.224 1.077 4.500 140 HB3 MET 22 HB2 MET 22 7.769 1.425 2.852 141 HG2 MET 22 HG2 MET 22 6.089 3.116 2.568 142 HG3 MET 22 HG3 MET 22 5.316 2.685 4.105 143 HE1 MET 22 HE1 MET 22 6.761 6.203 4.978 144 HE2 MET 22 HE2 MET 22 5.998 5.676 3.459 145 HE3 MET 22 HE3 MET 22 5.335 5.138 5.020 146 H LEU 23 H LEU 23 6.235 -1.311 0.956 147 HA LEU 23 HA LEU 23 8.144 -3.087 2.327 148 HB2 LEU 23 HB2 LEU 23 6.396 -4.333 3.058 149 HB3 LEU 23 HB3 LEU 23 5.317 -3.822 1.756 150 HG LEU 23 HG LEU 23 6.925 -5.352 0.290 151 HD11 LEU 23 HD11 LEU 23 8.480 -5.844 2.141 152 HD12 LEU 23 HD12 LEU 23 7.149 -6.602 3.048 153 HD13 LEU 23 HD13 LEU 23 7.704 -7.319 1.517 154 HD21 LEU 23 HD21 LEU 23 4.499 -5.643 0.605 155 HD22 LEU 23 HD22 LEU 23 4.805 -6.483 2.143 156 HD23 LEU 23 HD23 LEU 23 5.359 -7.200 0.612 157 HA PRO 24 HA PRO 24 8.211 -4.409 -2.267 158 HB2 PRO 24 HB2 PRO 24 6.351 -2.727 -3.834 159 HB3 PRO 24 HB3 PRO 24 6.452 -4.507 -3.727 160 HG2 PRO 24 HG2 PRO 24 4.398 -3.118 -2.680 161 HG3 PRO 24 HG3 PRO 24 5.026 -4.617 -1.937 162 HD2 PRO 24 HD3 PRO 24 5.601 -1.745 -1.191 163 HD3 PRO 24 HD2 PRO 24 5.163 -3.119 -0.127 164 H THR 25 H THR 25 8.885 -3.414 -4.505 165 HA THR 25 HA THR 25 10.419 -2.126 -5.610 166 HB THR 25 HB THR 25 10.115 0.358 -5.586 167 HG1 THR 25 HG1 THR 25 8.450 1.226 -4.333 168 HG21 THR 25 HG21 THR 25 7.847 0.347 -6.552 169 HG22 THR 25 HG22 THR 25 8.806 -1.043 -7.115 170 HG23 THR 25 HG23 THR 25 7.563 -1.268 -5.861 171 H TRP 26 H TRP 26 12.186 -0.395 -5.468 172 HA TRP 26 HA TRP 26 14.005 -1.118 -3.403 173 HB2 TRP 26 HB2 TRP 26 14.351 1.516 -4.787 174 HB3 TRP 26 HB3 TRP 26 15.551 0.267 -4.412 175 HD1 TRP 26 HD1 TRP 26 12.616 0.883 -6.888 176 HE1 TRP 26 HE1 TRP 26 13.046 -0.427 -9.053 177 HE3 TRP 26 HE3 TRP 26 16.951 -1.472 -5.515 178 HZ2 TRP 26 HZ2 TRP 26 15.014 -2.167 -10.057 179 HZ3 TRP 26 HZ3 TRP 26 18.062 -2.934 -7.157 180 HH2 TRP 26 HH2 TRP 26 17.105 -3.272 -9.398 181 HA PRO 27 HA PRO 27 12.998 2.872 -1.014 182 HB2 PRO 27 HB2 PRO 27 10.783 4.398 -2.076 183 HB3 PRO 27 HB3 PRO 27 12.516 4.824 -2.114 184 HG2 PRO 27 HG2 PRO 27 10.968 4.241 -4.338 185 HG3 PRO 27 HG3 PRO 27 12.750 4.152 -4.267 186 HD2 PRO 27 HD3 PRO 27 10.720 1.944 -4.007 187 HD3 PRO 27 HD2 PRO 27 12.285 1.951 -4.881 188 HA PRO 28 HA PRO 28 9.465 1.320 1.275 189 HB2 PRO 28 HB2 PRO 28 9.209 3.672 3.000 190 HB3 PRO 28 HB3 PRO 28 9.949 2.091 3.373 191 HG2 PRO 28 HG3 PRO 28 11.352 4.430 3.149 192 HG3 PRO 28 HG2 PRO 28 12.049 2.811 2.861 193 HD2 PRO 28 HD2 PRO 28 11.084 4.860 0.869 194 HD3 PRO 28 HD3 PRO 28 12.523 3.794 0.812 195 H ARG 29 H ARG 29 7.532 1.177 0.285 196 HA ARG 29 HA ARG 29 5.726 3.532 0.313 197 HB2 ARG 29 HB2 ARG 29 6.541 2.002 -2.171 198 HB3 ARG 29 HB3 ARG 29 5.024 2.912 -2.080 199 HG2 ARG 29 HG2 ARG 29 6.191 4.983 -1.797 200 HG3 ARG 29 HG3 ARG 29 7.742 4.150 -1.563 201 HD2 ARG 29 HD2 ARG 29 7.669 3.333 -3.872 202 HD3 ARG 29 HD3 ARG 29 6.092 4.111 -4.114 203 HE ARG 29 HE ARG 29 8.049 6.029 -3.243 204 HH11 ARG 29 HH11 ARG 29 7.053 4.185 -6.103 205 HH12 ARG 29 HH12 ARG 29 7.698 5.369 -7.218 206 HH21 ARG 29 HH21 ARG 29 8.866 7.530 -4.715 207 HH22 ARG 29 HH22 ARG 29 8.719 7.252 -6.436 208 H TYR 30 H TYR 30 3.569 3.053 0.464 209 HA TYR 30 HA TYR 30 2.836 0.438 1.481 210 HB2 TYR 30 HB2 TYR 30 1.138 2.810 0.629 211 HB3 TYR 30 HB3 TYR 30 0.524 1.387 1.482 212 HD1 TYR 30 HD1 TYR 30 2.947 4.226 1.831 213 HD2 TYR 30 HD2 TYR 30 0.521 1.348 3.833 214 HE1 TYR 30 HE1 TYR 30 3.414 5.325 3.976 215 HE2 TYR 30 HE2 TYR 30 0.991 2.445 5.977 216 HH TYR 30 HH TYR 30 3.434 4.556 6.475 217 H VAL 31 H VAL 31 1.137 -0.973 0.584 218 HA VAL 31 HA VAL 31 0.622 -0.645 -2.301 219 HB VAL 31 HB VAL 31 2.806 -1.902 -2.041 220 HG11 VAL 31 HG11 VAL 31 2.202 -3.282 -0.087 221 HG12 VAL 31 HG12 VAL 31 2.801 -4.249 -1.456 222 HG13 VAL 31 HG13 VAL 31 1.058 -4.191 -1.104 223 HG21 VAL 31 HG21 VAL 31 1.437 -1.965 -4.090 224 HG22 VAL 31 HG22 VAL 31 2.349 -3.470 -3.823 225 HG23 VAL 31 HG23 VAL 31 0.605 -3.412 -3.471 226 H CYS 32 H CYS 32 -1.282 -1.348 -2.956 227 HA CYS 32 HA CYS 32 -2.919 -2.937 -1.021 228 HB2 CYS 32 HB2 CYS 32 -3.685 -0.731 -2.949 229 HB3 CYS 32 HB3 CYS 32 -4.880 -1.828 -2.238 230 H SER 33 H SER 33 -3.757 -4.815 -1.699 231 HA SER 33 HA SER 33 -3.675 -5.395 -4.633 232 HB2 SER 33 HB2 SER 33 -2.847 -7.189 -2.335 233 HB3 SER 33 HB3 SER 33 -3.087 -7.757 -4.001 234 HG SER 33 HG SER 33 -0.889 -7.217 -3.554 235 H VAL 34 H VAL 34 -5.735 -4.650 -2.471 236 HA VAL 34 HA VAL 34 -7.848 -5.163 -1.785 237 HB VAL 34 HB VAL 34 -8.179 -4.418 -4.120 238 HG11 VAL 34 HG11 VAL 34 -9.020 -6.199 -5.769 239 HG12 VAL 34 HG12 VAL 34 -7.264 -6.015 -5.552 240 HG13 VAL 34 HG13 VAL 34 -8.121 -7.360 -4.763 241 HG21 VAL 34 HG21 VAL 34 -10.074 -4.809 -2.590 242 HG22 VAL 34 HG22 VAL 34 -10.503 -5.047 -4.301 243 HG23 VAL 34 HG23 VAL 34 -10.240 -6.456 -3.245 Start of MODEL 10 1 H1 CYS 1 H1 CYS 1 -11.801 2.580 -6.913 2 H2 CYS 1 H2 CYS 1 -12.884 2.490 -5.673 3 H3 CYS 1 H3 CYS 1 -11.946 1.186 -6.045 4 HA CYS 1 HA CYS 1 -11.004 3.759 -4.984 5 HB2 CYS 1 HB2 CYS 1 -10.390 2.413 -2.991 6 HB3 CYS 1 HB3 CYS 1 -12.135 2.489 -3.277 7 H VAL 2 H VAL 2 -8.702 3.006 -3.830 8 HA VAL 2 HA VAL 2 -6.963 2.516 -6.136 9 HB VAL 2 HB VAL 2 -6.103 2.915 -3.239 10 HG11 VAL 2 HG11 VAL 2 -4.363 2.095 -4.793 11 HG12 VAL 2 HG12 VAL 2 -4.018 3.740 -4.208 12 HG13 VAL 2 HG13 VAL 2 -4.661 3.496 -5.850 13 HG21 VAL 2 HG21 VAL 2 -7.584 4.769 -3.928 14 HG22 VAL 2 HG22 VAL 2 -6.545 5.059 -5.344 15 HG23 VAL 2 HG23 VAL 2 -5.902 5.303 -3.702 16 H SER 3 H SER 3 -8.085 0.356 -6.282 17 HA SER 3 HA SER 3 -7.537 -1.797 -4.508 18 HB2 SER 3 HB3 SER 3 -8.086 -1.802 -7.495 19 HB3 SER 3 HB2 SER 3 -8.112 -3.240 -6.451 20 HG SER 3 HG SER 3 -10.206 -2.313 -6.739 21 H SER 4 H SER 4 -5.666 -0.536 -7.270 22 HA SER 4 HA SER 4 -3.410 -2.283 -6.406 23 HB2 SER 4 HB3 SER 4 -4.254 -1.843 -9.295 24 HB3 SER 4 HB2 SER 4 -2.828 -2.748 -8.744 25 HG SER 4 HG SER 4 -4.628 -4.119 -9.197 26 H GLY 5 H GLY 5 -1.612 -1.206 -6.060 27 HA2 GLY 5 HA3 GLY 5 -0.075 0.432 -7.386 28 HA3 GLY 5 HA2 GLY 5 -1.417 1.564 -7.133 29 H ILE 6 H ILE 6 0.246 2.872 -6.103 30 HA ILE 6 HA ILE 6 1.078 1.940 -3.411 31 HB ILE 6 HB ILE 6 1.859 4.427 -4.992 32 HG12 ILE 6 HG12 ILE 6 2.865 2.532 -6.014 33 HG13 ILE 6 HG13 ILE 6 4.123 3.347 -5.077 34 HG21 ILE 6 HG21 ILE 6 3.707 4.573 -3.188 35 HG22 ILE 6 HG22 ILE 6 2.637 3.542 -2.209 36 HG23 ILE 6 HG23 ILE 6 2.072 5.135 -2.766 37 HD11 ILE 6 HD11 ILE 6 4.239 0.864 -4.947 38 HD12 ILE 6 HD12 ILE 6 4.012 1.628 -3.355 39 HD13 ILE 6 HD13 ILE 6 2.635 0.854 -4.175 40 H VAL 7 H VAL 7 0.683 3.138 -1.528 41 HA VAL 7 HA VAL 7 -1.371 5.257 -1.691 42 HB VAL 7 HB VAL 7 -2.648 4.167 0.230 43 HG11 VAL 7 HG11 VAL 7 -2.992 4.065 -2.490 44 HG12 VAL 7 HG12 VAL 7 -3.119 2.351 -2.030 45 HG13 VAL 7 HG13 VAL 7 -4.191 3.556 -1.277 46 HG21 VAL 7 HG21 VAL 7 -0.756 2.365 0.509 47 HG22 VAL 7 HG22 VAL 7 -2.460 1.918 0.758 48 HG23 VAL 7 HG23 VAL 7 -1.649 1.513 -0.773 49 H ASP 8 H ASP 8 -1.298 6.750 -0.125 50 HA ASP 8 HA ASP 8 1.013 6.593 1.731 51 HB2 ASP 8 HB3 ASP 8 0.401 8.598 0.143 52 HB3 ASP 8 HB2 ASP 8 -0.791 8.991 1.396 53 H ALA 9 H ALA 9 -1.888 5.375 1.807 54 HA ALA 9 HA ALA 9 -2.270 5.806 4.710 55 HB1 ALA 9 HB1 ALA 9 -3.722 7.427 3.297 56 HB2 ALA 9 HB2 ALA 9 -4.669 5.979 2.878 57 HB3 ALA 9 HB3 ALA 9 -4.516 6.482 4.579 58 H CYS 10 H CYS 10 -4.755 4.448 4.880 59 HA CYS 10 HA CYS 10 -4.439 1.793 3.646 60 HB2 CYS 10 HB2 CYS 10 -2.972 1.594 5.595 61 HB3 CYS 10 HB3 CYS 10 -4.255 2.193 6.658 62 H SER 11 H SER 11 -6.106 3.978 5.888 63 HA SER 11 HA SER 11 -8.611 2.481 5.859 64 HB2 SER 11 HB3 SER 11 -7.991 5.311 6.785 65 HB3 SER 11 HB2 SER 11 -9.504 4.429 7.084 66 HG SER 11 HG SER 11 -8.028 4.286 8.853 67 H GLU 12 H GLU 12 -7.098 4.926 3.913 68 HA GLU 12 HA GLU 12 -9.606 5.757 2.606 69 HB2 GLU 12 HB3 GLU 12 -6.696 6.502 2.204 70 HB3 GLU 12 HB2 GLU 12 -7.990 7.062 1.132 71 HG2 GLU 12 HG2 GLU 12 -9.106 8.148 3.024 72 HG3 GLU 12 HG3 GLU 12 -7.821 7.588 4.112 73 H CYS 13 H CYS 13 -6.941 3.532 2.139 74 HA CYS 13 HA CYS 13 -7.525 3.014 -0.687 75 HB2 CYS 13 HB2 CYS 13 -5.250 2.800 0.438 76 HB3 CYS 13 HB3 CYS 13 -5.862 1.328 1.213 77 H CYS 14 H CYS 14 -7.815 0.559 -1.305 78 HA CYS 14 HA CYS 14 -10.394 -0.259 -0.301 79 HB2 CYS 14 HB2 CYS 14 -8.544 -2.043 -1.873 80 HB3 CYS 14 HB3 CYS 14 -10.313 -1.985 -1.894 81 H GLU 15 H GLU 15 -7.161 -0.919 0.711 82 HA GLU 15 HA GLU 15 -8.036 -3.291 2.291 83 HB2 GLU 15 HB3 GLU 15 -5.290 -2.253 1.508 84 HB3 GLU 15 HB2 GLU 15 -5.537 -3.542 2.697 85 HG2 GLU 15 HG2 GLU 15 -6.693 -3.753 -0.078 86 HG3 GLU 15 HG3 GLU 15 -5.003 -4.184 0.245 87 HA PRO 16 HA PRO 16 -8.031 0.020 5.508 88 HB2 PRO 16 HB3 PRO 16 -9.995 -1.686 6.905 89 HB3 PRO 16 HB2 PRO 16 -10.186 -0.019 6.295 90 HG2 PRO 16 HG3 PRO 16 -11.443 -2.152 5.198 91 HG3 PRO 16 HG2 PRO 16 -10.948 -0.723 4.247 92 HD2 PRO 16 HD2 PRO 16 -9.613 -3.419 4.484 93 HD3 PRO 16 HD3 PRO 16 -9.869 -2.392 3.039 94 H ASP 17 H ASP 17 -8.003 -3.516 5.991 95 HA ASP 17 HA ASP 17 -6.134 -3.112 8.291 96 HB2 ASP 17 HB2 ASP 17 -8.388 -5.114 8.001 97 HB3 ASP 17 HB3 ASP 17 -7.085 -5.293 9.191 98 H LYS 18 H LYS 18 -6.947 -4.836 5.361 99 HA LYS 18 HA LYS 18 -4.703 -6.737 5.705 100 HB2 LYS 18 HB2 LYS 18 -7.192 -6.994 4.594 101 HB3 LYS 18 HB3 LYS 18 -6.211 -6.690 3.152 102 HG2 LYS 18 HG2 LYS 18 -5.339 -8.771 5.144 103 HG3 LYS 18 HG3 LYS 18 -6.633 -9.144 3.988 104 HD2 LYS 18 HD3 LYS 18 -5.123 -8.549 2.121 105 HD3 LYS 18 HD2 LYS 18 -3.832 -8.195 3.289 106 HE2 LYS 18 HE2 LYS 18 -3.891 -10.524 4.071 107 HE3 LYS 18 HE3 LYS 18 -5.186 -10.887 2.911 108 HZ1 LYS 18 HZ1 LYS 18 -3.040 -11.542 2.080 109 HZ2 LYS 18 HZ2 LYS 18 -2.459 -10.004 2.221 110 HZ3 LYS 18 HZ3 LYS 18 -3.660 -10.337 1.140 111 H CYS 19 H CYS 19 -4.279 -3.791 5.359 112 HA CYS 19 HA CYS 19 -3.071 -3.567 2.676 113 HB2 CYS 19 HB2 CYS 19 -2.603 -1.272 3.272 114 HB3 CYS 19 HB3 CYS 19 -4.288 -1.653 3.658 115 H ILE 20 H ILE 20 -0.877 -3.225 2.258 116 HA ILE 20 HA ILE 20 0.910 -4.416 4.315 117 HB ILE 20 HB ILE 20 1.756 -3.798 1.465 118 HG12 ILE 20 HG12 ILE 20 0.810 -6.553 2.095 119 HG13 ILE 20 HG13 ILE 20 -0.447 -5.326 1.868 120 HG21 ILE 20 HG21 ILE 20 3.485 -4.439 3.123 121 HG22 ILE 20 HG22 ILE 20 3.312 -5.660 1.840 122 HG23 ILE 20 HG23 ILE 20 2.602 -5.951 3.446 123 HD11 ILE 20 HD11 ILE 20 0.020 -6.515 -0.220 124 HD12 ILE 20 HD12 ILE 20 1.732 -6.040 -0.121 125 HD13 ILE 20 HD13 ILE 20 0.477 -4.801 -0.357 126 H ILE 21 H ILE 21 2.940 -3.495 4.804 127 HA ILE 21 HA ILE 21 2.853 -0.537 4.849 128 HB ILE 21 HB ILE 21 5.025 -2.168 6.192 129 HG12 ILE 21 HG13 ILE 21 3.278 -1.875 8.241 130 HG13 ILE 21 HG12 ILE 21 2.136 -2.130 6.910 131 HG21 ILE 21 HG21 ILE 21 5.157 0.305 6.191 132 HG22 ILE 21 HG22 ILE 21 3.577 0.378 7.006 133 HG23 ILE 21 HG23 ILE 21 4.971 -0.356 7.833 134 HD11 ILE 21 HD11 ILE 21 2.682 -4.238 8.024 135 HD12 ILE 21 HD12 ILE 21 4.408 -3.988 7.668 136 HD13 ILE 21 HD13 ILE 21 3.253 -4.238 6.338 137 H MET 22 H MET 22 4.876 0.687 4.492 138 HA MET 22 HA MET 22 5.900 0.377 1.889 139 HB2 MET 22 HB3 MET 22 7.253 1.763 4.234 140 HB3 MET 22 HB2 MET 22 7.615 2.014 2.520 141 HG2 MET 22 HG2 MET 22 5.163 2.724 2.278 142 HG3 MET 22 HG3 MET 22 5.141 2.816 4.049 143 HE1 MET 22 HE1 MET 22 7.375 5.810 4.903 144 HE2 MET 22 HE2 MET 22 7.625 4.063 5.135 145 HE3 MET 22 HE3 MET 22 6.018 4.776 5.411 146 H LEU 23 H LEU 23 6.879 -1.403 1.178 147 HA LEU 23 HA LEU 23 9.457 -2.138 2.381 148 HB2 LEU 23 HB3 LEU 23 8.368 -3.656 3.696 149 HB3 LEU 23 HB2 LEU 23 7.009 -3.816 2.580 150 HG LEU 23 HG LEU 23 8.747 -5.099 1.080 151 HD11 LEU 23 HD11 LEU 23 10.696 -4.617 2.514 152 HD12 LEU 23 HD12 LEU 23 10.394 -6.365 2.372 153 HD13 LEU 23 HD13 LEU 23 9.921 -5.497 3.853 154 HD21 LEU 23 HD21 LEU 23 6.691 -6.035 2.067 155 HD22 LEU 23 HD22 LEU 23 7.564 -6.330 3.590 156 HD23 LEU 23 HD23 LEU 23 8.037 -7.199 2.110 157 HA PRO 24 HA PRO 24 8.952 -4.544 -1.868 158 HB2 PRO 24 HB3 PRO 24 6.666 -3.019 -3.090 159 HB3 PRO 24 HB2 PRO 24 7.068 -4.757 -3.215 160 HG2 PRO 24 HG2 PRO 24 5.055 -3.962 -1.693 161 HG3 PRO 24 HG3 PRO 24 6.172 -5.233 -1.117 162 HD2 PRO 24 HD3 PRO 24 6.100 -2.301 -0.408 163 HD3 PRO 24 HD2 PRO 24 6.288 -3.720 0.669 164 H THR 25 H THR 25 9.614 -3.892 -4.087 165 HA THR 25 HA THR 25 10.968 -2.644 -5.451 166 HB THR 25 HB THR 25 10.303 -0.282 -5.947 167 HG1 THR 25 HG1 THR 25 8.487 0.566 -4.901 168 HG21 THR 25 HG21 THR 25 8.093 -0.831 -6.887 169 HG22 THR 25 HG22 THR 25 9.263 -2.147 -7.148 170 HG23 THR 25 HG23 THR 25 8.028 -2.293 -5.874 171 H TRP 26 H TRP 26 12.334 -0.480 -5.638 172 HA TRP 26 HA TRP 26 14.210 -0.573 -3.468 173 HB2 TRP 26 HB3 TRP 26 14.939 1.711 -4.781 174 HB3 TRP 26 HB2 TRP 26 15.448 0.071 -5.204 175 HD1 TRP 26 HD1 TRP 26 13.628 -1.161 -7.096 176 HE1 TRP 26 HE1 TRP 26 12.657 -0.116 -9.236 177 HE3 TRP 26 HE3 TRP 26 14.414 3.767 -5.970 178 HZ2 TRP 26 HZ2 TRP 26 12.348 2.460 -10.316 179 HZ3 TRP 26 HZ3 TRP 26 13.772 5.470 -7.630 180 HH2 TRP 26 HH2 TRP 26 12.753 4.822 -9.774 181 HA PRO 27 HA PRO 27 12.557 3.616 -1.933 182 HB2 PRO 27 HB3 PRO 27 10.096 4.457 -3.204 183 HB3 PRO 27 HB2 PRO 27 11.712 5.196 -3.367 184 HG2 PRO 27 HG2 PRO 27 10.332 3.904 -5.393 185 HG3 PRO 27 HG3 PRO 27 12.096 4.173 -5.356 186 HD2 PRO 27 HD2 PRO 27 10.532 1.697 -4.659 187 HD3 PRO 27 HD3 PRO 27 12.099 1.865 -5.510 188 HA PRO 28 HA PRO 28 9.664 1.398 0.791 189 HB2 PRO 28 HB3 PRO 28 9.755 3.922 2.412 190 HB3 PRO 28 HB2 PRO 28 10.087 2.239 2.914 191 HG2 PRO 28 HG2 PRO 28 12.060 4.006 2.595 192 HG3 PRO 28 HG3 PRO 28 12.256 2.298 2.113 193 HD2 PRO 28 HD2 PRO 28 11.761 4.718 0.393 194 HD3 PRO 28 HD3 PRO 28 12.815 3.300 0.102 195 H ARG 29 H ARG 29 7.668 1.237 -0.062 196 HA ARG 29 HA ARG 29 5.778 3.489 0.312 197 HB2 ARG 29 HB2 ARG 29 6.408 2.197 -2.355 198 HB3 ARG 29 HB3 ARG 29 4.879 3.038 -2.047 199 HG2 ARG 29 HG2 ARG 29 5.977 5.126 -1.749 200 HG3 ARG 29 HG3 ARG 29 7.574 4.358 -1.636 201 HD2 ARG 29 HD2 ARG 29 7.330 3.613 -4.002 202 HD3 ARG 29 HD3 ARG 29 5.798 4.505 -4.095 203 HE ARG 29 HE ARG 29 7.816 6.286 -3.194 204 HH11 ARG 29 HH11 ARG 29 6.943 4.502 -6.130 205 HH12 ARG 29 HH12 ARG 29 7.691 5.675 -7.191 206 HH21 ARG 29 HH21 ARG 29 8.768 7.773 -4.595 207 HH22 ARG 29 HH22 ARG 29 8.720 7.517 -6.324 208 H TYR 30 H TYR 30 3.618 2.888 0.482 209 HA TYR 30 HA TYR 30 3.103 0.186 1.421 210 HB2 TYR 30 HB2 TYR 30 1.276 2.541 0.845 211 HB3 TYR 30 HB3 TYR 30 0.717 1.014 1.542 212 HD1 TYR 30 HD1 TYR 30 2.696 4.071 2.159 213 HD2 TYR 30 HD2 TYR 30 1.144 0.489 3.864 214 HE1 TYR 30 HE1 TYR 30 3.192 4.927 4.407 215 HE2 TYR 30 HE2 TYR 30 1.644 1.340 6.113 216 HH TYR 30 HH TYR 30 1.912 3.720 7.160 217 H VAL 31 H VAL 31 1.523 -1.303 0.578 218 HA VAL 31 HA VAL 31 0.755 -0.911 -2.267 219 HB VAL 31 HB VAL 31 2.097 -3.459 -1.249 220 HG11 VAL 31 HG11 VAL 31 0.319 -3.894 -2.917 221 HG12 VAL 31 HG12 VAL 31 1.940 -4.274 -3.546 222 HG13 VAL 31 HG13 VAL 31 1.121 -2.774 -4.045 223 HG21 VAL 31 HG21 VAL 31 3.703 -1.618 -1.635 224 HG22 VAL 31 HG22 VAL 31 3.910 -2.949 -2.798 225 HG23 VAL 31 HG23 VAL 31 3.090 -1.449 -3.298 226 H CYS 32 H CYS 32 -1.282 -1.419 -2.648 227 HA CYS 32 HA CYS 32 -2.812 -2.789 -0.497 228 HB2 CYS 32 HB3 CYS 32 -3.573 -0.941 -2.765 229 HB3 CYS 32 HB2 CYS 32 -4.784 -1.930 -1.932 230 H SER 33 H SER 33 -3.530 -4.785 -0.715 231 HA SER 33 HA SER 33 -3.250 -6.105 -3.366 232 HB2 SER 33 HB2 SER 33 -3.517 -7.206 -0.553 233 HB3 SER 33 HB3 SER 33 -3.477 -8.214 -2.016 234 HG SER 33 HG SER 33 -1.397 -7.964 -1.050 235 H VAL 34 H VAL 34 -5.495 -4.354 -2.195 236 HA VAL 34 HA VAL 34 -7.765 -4.215 -2.099 237 HB VAL 34 HB VAL 34 -7.298 -4.220 -4.534 238 HG11 VAL 34 HG11 VAL 34 -8.217 -6.247 -5.834 239 HG12 VAL 34 HG12 VAL 34 -6.569 -6.336 -5.167 240 HG13 VAL 34 HG13 VAL 34 -7.911 -7.160 -4.337 241 HG21 VAL 34 HG21 VAL 34 -9.530 -3.701 -3.619 242 HG22 VAL 34 HG22 VAL 34 -9.595 -4.397 -5.256 243 HG23 VAL 34 HG23 VAL 34 -9.997 -5.404 -3.844 Start of MODEL 11 1 H1 CYS 1 H1 CYS 1 -12.822 3.014 -5.067 2 H2 CYS 1 H2 CYS 1 -12.583 2.236 -3.632 3 H3 CYS 1 H3 CYS 1 -11.679 1.830 -4.951 4 HA CYS 1 HA CYS 1 -11.495 4.586 -4.375 5 HB2 CYS 1 HB3 CYS 1 -9.855 3.808 -2.344 6 HB3 CYS 1 HB2 CYS 1 -11.494 4.441 -2.135 7 H VAL 2 H VAL 2 -9.265 1.943 -3.479 8 HA VAL 2 HA VAL 2 -7.703 2.366 -5.963 9 HB VAL 2 HB VAL 2 -6.376 2.414 -3.213 10 HG11 VAL 2 HG11 VAL 2 -5.392 2.103 -5.938 11 HG12 VAL 2 HG12 VAL 2 -4.650 3.501 -5.123 12 HG13 VAL 2 HG13 VAL 2 -4.547 1.884 -4.387 13 HG21 VAL 2 HG21 VAL 2 -7.647 4.504 -3.576 14 HG22 VAL 2 HG22 VAL 2 -5.888 4.776 -3.566 15 HG23 VAL 2 HG23 VAL 2 -6.777 4.753 -5.108 16 H SER 3 H SER 3 -8.359 0.378 -6.644 17 HA SER 3 HA SER 3 -8.421 -2.007 -5.096 18 HB2 SER 3 HB2 SER 3 -8.099 -1.652 -8.093 19 HB3 SER 3 HB3 SER 3 -8.527 -3.171 -7.277 20 HG SER 3 HG SER 3 -10.376 -2.016 -8.033 21 H SER 4 H SER 4 -5.900 -0.896 -7.434 22 HA SER 4 HA SER 4 -3.925 -2.511 -5.905 23 HB2 SER 4 HB2 SER 4 -4.204 -2.615 -8.930 24 HB3 SER 4 HB3 SER 4 -2.959 -3.432 -7.960 25 HG SER 4 HG SER 4 -4.723 -4.821 -8.495 26 H GLY 5 H GLY 5 -1.719 -1.918 -6.230 27 HA2 GLY 5 HA2 GLY 5 -0.138 -0.396 -7.390 28 HA3 GLY 5 HA3 GLY 5 -1.405 0.845 -7.337 29 H ILE 6 H ILE 6 0.720 1.862 -6.413 30 HA ILE 6 HA ILE 6 1.032 1.296 -3.524 31 HB ILE 6 HB ILE 6 2.555 3.199 -5.356 32 HG12 ILE 6 HG13 ILE 6 3.084 0.905 -5.892 33 HG13 ILE 6 HG12 ILE 6 4.452 1.642 -5.051 34 HG21 ILE 6 HG21 ILE 6 4.215 3.255 -3.387 35 HG22 ILE 6 HG22 ILE 6 2.726 4.219 -3.238 36 HG23 ILE 6 HG23 ILE 6 2.863 2.658 -2.394 37 HD11 ILE 6 HD11 ILE 6 4.067 -0.694 -4.348 38 HD12 ILE 6 HD12 ILE 6 2.446 -0.242 -3.769 39 HD13 ILE 6 HD13 ILE 6 3.892 0.451 -2.996 40 H VAL 7 H VAL 7 0.600 2.707 -1.905 41 HA VAL 7 HA VAL 7 -0.777 5.242 -2.610 42 HB VAL 7 HB VAL 7 -2.461 4.782 -0.761 43 HG11 VAL 7 HG11 VAL 7 -3.006 4.705 -3.162 44 HG12 VAL 7 HG12 VAL 7 -3.970 3.549 -2.212 45 HG13 VAL 7 HG13 VAL 7 -2.597 2.973 -3.188 46 HG21 VAL 7 HG21 VAL 7 -1.311 2.867 0.307 47 HG22 VAL 7 HG22 VAL 7 -1.604 1.892 -1.153 48 HG23 VAL 7 HG23 VAL 7 -2.977 2.467 -0.177 49 H ASP 8 H ASP 8 -0.699 6.870 -1.088 50 HA ASP 8 HA ASP 8 1.488 6.589 0.890 51 HB2 ASP 8 HB2 ASP 8 1.150 8.531 -0.833 52 HB3 ASP 8 HB3 ASP 8 -0.049 9.129 0.329 53 H ALA 9 H ALA 9 -1.426 5.551 1.008 54 HA ALA 9 HA ALA 9 -1.990 6.526 3.766 55 HB1 ALA 9 HB1 ALA 9 -3.495 7.472 1.856 56 HB2 ALA 9 HB2 ALA 9 -4.228 5.850 1.865 57 HB3 ALA 9 HB3 ALA 9 -4.258 6.849 3.338 58 H CYS 10 H CYS 10 -4.155 4.938 4.367 59 HA CYS 10 HA CYS 10 -3.534 2.125 3.766 60 HB2 CYS 10 HB3 CYS 10 -1.938 2.659 5.591 61 HB3 CYS 10 HB2 CYS 10 -3.287 3.209 6.596 62 H SER 11 H SER 11 -5.326 4.502 5.718 63 HA SER 11 HA SER 11 -7.646 2.692 5.967 64 HB2 SER 11 HB3 SER 11 -7.212 5.540 6.943 65 HB3 SER 11 HB2 SER 11 -8.615 4.517 7.320 66 HG SER 11 HG SER 11 -7.004 4.458 8.971 67 H GLU 12 H GLU 12 -6.454 5.053 3.812 68 HA GLU 12 HA GLU 12 -9.098 5.929 2.850 69 HB2 GLU 12 HB2 GLU 12 -6.266 6.531 1.961 70 HB3 GLU 12 HB3 GLU 12 -7.695 7.134 1.107 71 HG2 GLU 12 HG3 GLU 12 -7.272 7.659 4.053 72 HG3 GLU 12 HG2 GLU 12 -6.525 8.678 2.808 73 H CYS 13 H CYS 13 -6.571 3.616 2.020 74 HA CYS 13 HA CYS 13 -7.575 3.059 -0.659 75 HB2 CYS 13 HB2 CYS 13 -5.211 2.672 0.083 76 HB3 CYS 13 HB3 CYS 13 -5.787 1.333 1.090 77 H CYS 14 H CYS 14 -8.291 0.804 -1.291 78 HA CYS 14 HA CYS 14 -10.643 0.109 0.281 79 HB2 CYS 14 HB3 CYS 14 -9.546 -1.437 -2.073 80 HB3 CYS 14 HB2 CYS 14 -11.217 -1.336 -1.500 81 H GLU 15 H GLU 15 -7.472 -0.675 0.750 82 HA GLU 15 HA GLU 15 -8.088 -3.426 1.737 83 HB2 GLU 15 HB3 GLU 15 -6.193 -2.915 0.005 84 HB3 GLU 15 HB2 GLU 15 -5.310 -2.295 1.409 85 HG2 GLU 15 HG2 GLU 15 -5.295 -4.414 2.471 86 HG3 GLU 15 HG3 GLU 15 -6.489 -5.077 1.340 87 HA PRO 16 HA PRO 16 -7.561 -0.952 5.602 88 HB2 PRO 16 HB2 PRO 16 -9.892 -2.219 6.757 89 HB3 PRO 16 HB3 PRO 16 -9.733 -0.541 6.170 90 HG2 PRO 16 HG3 PRO 16 -11.327 -2.503 5.028 91 HG3 PRO 16 HG2 PRO 16 -10.777 -1.012 4.217 92 HD2 PRO 16 HD3 PRO 16 -9.689 -3.808 4.030 93 HD3 PRO 16 HD2 PRO 16 -9.865 -2.567 2.749 94 H ASP 17 H ASP 17 -8.414 -4.407 5.281 95 HA ASP 17 HA ASP 17 -7.214 -5.026 7.914 96 HB2 ASP 17 HB3 ASP 17 -8.703 -6.704 5.875 97 HB3 ASP 17 HB2 ASP 17 -7.949 -7.382 7.331 98 H LYS 18 H LYS 18 -6.684 -5.795 4.456 99 HA LYS 18 HA LYS 18 -4.179 -7.215 5.129 100 HB2 LYS 18 HB2 LYS 18 -6.027 -7.836 3.339 101 HB3 LYS 18 HB3 LYS 18 -5.111 -6.718 2.316 102 HG2 LYS 18 HG2 LYS 18 -3.077 -8.059 2.677 103 HG3 LYS 18 HG3 LYS 18 -3.997 -9.178 3.705 104 HD2 LYS 18 HD2 LYS 18 -5.461 -9.720 1.799 105 HD3 LYS 18 HD3 LYS 18 -4.539 -8.603 0.771 106 HE2 LYS 18 HE3 LYS 18 -2.508 -9.959 1.133 107 HE3 LYS 18 HE2 LYS 18 -3.439 -11.071 2.157 108 HZ1 LYS 18 HZ1 LYS 18 -3.219 -11.897 -0.077 109 HZ2 LYS 18 HZ2 LYS 18 -3.945 -10.552 -0.698 110 HZ3 LYS 18 HZ3 LYS 18 -4.804 -11.586 0.257 111 H CYS 19 H CYS 19 -4.333 -4.378 5.693 112 HA CYS 19 HA CYS 19 -2.706 -3.063 3.612 113 HB2 CYS 19 HB3 CYS 19 -4.552 -1.862 4.761 114 HB3 CYS 19 HB2 CYS 19 -3.686 -2.042 6.294 115 H ILE 20 H ILE 20 -0.588 -3.087 3.575 116 HA ILE 20 HA ILE 20 0.882 -3.498 6.140 117 HB ILE 20 HB ILE 20 2.719 -4.562 4.696 118 HG12 ILE 20 HG12 ILE 20 1.453 -5.904 2.749 119 HG13 ILE 20 HG13 ILE 20 0.505 -4.409 2.692 120 HG21 ILE 20 HG21 ILE 20 1.298 -5.783 6.300 121 HG22 ILE 20 HG22 ILE 20 1.732 -6.778 4.889 122 HG23 ILE 20 HG23 ILE 20 0.105 -6.066 5.009 123 HD11 ILE 20 HD11 ILE 20 2.354 -4.349 1.090 124 HD12 ILE 20 HD12 ILE 20 2.575 -3.116 2.354 125 HD13 ILE 20 HD13 ILE 20 3.519 -4.625 2.408 126 H ILE 21 H ILE 21 3.078 -2.638 6.201 127 HA ILE 21 HA ILE 21 3.157 -0.023 4.792 128 HB ILE 21 HB ILE 21 5.103 -0.773 6.985 129 HG12 ILE 21 HG12 ILE 21 3.262 0.561 8.424 130 HG13 ILE 21 HG13 ILE 21 2.175 -0.274 7.301 131 HG21 ILE 21 HG21 ILE 21 3.889 1.902 6.947 132 HG22 ILE 21 HG22 ILE 21 4.737 1.488 5.438 133 HG23 ILE 21 HG23 ILE 21 5.602 1.421 6.992 134 HD11 ILE 21 HD11 ILE 21 2.475 -1.556 9.363 135 HD12 ILE 21 HD12 ILE 21 3.151 -2.435 7.970 136 HD13 ILE 21 HD13 ILE 21 4.235 -1.588 9.100 137 H MET 22 H MET 22 4.025 -0.234 2.866 138 HA MET 22 HA MET 22 5.418 -0.747 1.133 139 HB2 MET 22 HB3 MET 22 7.702 -0.076 1.341 140 HB3 MET 22 HB2 MET 22 6.694 1.007 2.307 141 HG2 MET 22 HG2 MET 22 7.952 -1.291 3.727 142 HG3 MET 22 HG3 MET 22 9.019 0.020 3.189 143 HE1 MET 22 HE1 MET 22 8.567 0.764 7.024 144 HE2 MET 22 HE2 MET 22 9.730 0.488 5.705 145 HE3 MET 22 HE3 MET 22 8.669 -0.834 6.246 146 H LEU 23 H LEU 23 6.165 -2.404 -0.018 147 HA LEU 23 HA LEU 23 7.373 -4.678 1.473 148 HB2 LEU 23 HB3 LEU 23 5.412 -5.757 1.196 149 HB3 LEU 23 HB2 LEU 23 4.880 -4.677 -0.097 150 HG LEU 23 HG LEU 23 6.736 -6.049 -1.468 151 HD11 LEU 23 HD11 LEU 23 7.364 -7.445 0.464 152 HD12 LEU 23 HD12 LEU 23 6.682 -8.417 -0.862 153 HD13 LEU 23 HD13 LEU 23 5.691 -8.043 0.569 154 HD21 LEU 23 HD21 LEU 23 4.363 -5.752 -2.058 155 HD22 LEU 23 HD22 LEU 23 3.923 -7.045 -0.917 156 HD23 LEU 23 HD23 LEU 23 4.914 -7.420 -2.347 157 HA PRO 24 HA PRO 24 9.231 -4.972 -2.829 158 HB2 PRO 24 HB3 PRO 24 8.095 -3.366 -4.907 159 HB3 PRO 24 HB2 PRO 24 7.836 -5.111 -4.635 160 HG2 PRO 24 HG2 PRO 24 5.915 -3.080 -4.389 161 HG3 PRO 24 HG3 PRO 24 5.774 -4.754 -3.788 162 HD2 PRO 24 HD2 PRO 24 6.500 -2.250 -2.299 163 HD3 PRO 24 HD3 PRO 24 5.579 -3.688 -1.756 164 H THR 25 H THR 25 9.243 -2.482 -1.036 165 HA THR 25 HA THR 25 11.428 -1.075 -2.441 166 HB THR 25 HB THR 25 10.405 1.168 -1.698 167 HG1 THR 25 HG1 THR 25 8.501 1.075 -0.814 168 HG21 THR 25 HG21 THR 25 10.161 -0.311 -4.088 169 HG22 THR 25 HG22 THR 25 10.002 1.449 -3.878 170 HG23 THR 25 HG23 THR 25 8.560 0.409 -3.792 171 H TRP 26 H TRP 26 12.679 0.333 -1.032 172 HA TRP 26 HA TRP 26 12.848 -0.817 1.666 173 HB2 TRP 26 HB2 TRP 26 14.871 0.916 1.720 174 HB3 TRP 26 HB3 TRP 26 14.996 -0.679 0.964 175 HD1 TRP 26 HD1 TRP 26 14.310 -0.525 -1.872 176 HE1 TRP 26 HE1 TRP 26 15.167 1.184 -3.586 177 HE3 TRP 26 HE3 TRP 26 15.896 3.101 1.378 178 HZ2 TRP 26 HZ2 TRP 26 16.427 3.696 -3.545 179 HZ3 TRP 26 HZ3 TRP 26 16.949 5.125 0.452 180 HH2 TRP 26 HH2 TRP 26 17.211 5.416 -1.976 181 HA PRO 27 HA PRO 27 12.068 3.762 3.013 182 HB2 PRO 27 HB2 PRO 27 10.674 5.111 0.771 183 HB3 PRO 27 HB3 PRO 27 12.119 5.635 1.681 184 HG2 PRO 27 HG3 PRO 27 12.251 4.843 -0.885 185 HG3 PRO 27 HG2 PRO 27 13.570 4.524 0.278 186 HD2 PRO 27 HD2 PRO 27 11.371 2.673 -0.668 187 HD3 PRO 27 HD3 PRO 27 13.129 2.363 -0.505 188 HA PRO 28 HA PRO 28 7.830 3.090 4.266 189 HB2 PRO 28 HB2 PRO 28 7.262 6.042 4.235 190 HB3 PRO 28 HB3 PRO 28 7.100 4.861 5.567 191 HG2 PRO 28 HG2 PRO 28 9.096 6.616 5.542 192 HG3 PRO 28 HG3 PRO 28 9.352 4.933 6.084 193 HD2 PRO 28 HD3 PRO 28 10.063 6.219 3.456 194 HD3 PRO 28 HD2 PRO 28 11.010 5.069 4.450 195 H ARG 29 H ARG 29 6.323 2.274 3.002 196 HA ARG 29 HA ARG 29 4.841 3.978 1.106 197 HB2 ARG 29 HB2 ARG 29 6.506 1.601 0.257 198 HB3 ARG 29 HB3 ARG 29 5.060 2.074 -0.653 199 HG2 ARG 29 HG2 ARG 29 6.068 4.373 -0.883 200 HG3 ARG 29 HG3 ARG 29 7.558 3.723 -0.165 201 HD2 ARG 29 HD2 ARG 29 7.711 2.070 -1.981 202 HD3 ARG 29 HD3 ARG 29 6.218 2.709 -2.697 203 HE ARG 29 HE ARG 29 8.197 4.781 -2.348 204 HH11 ARG 29 HH11 ARG 29 7.312 2.074 -4.460 205 HH12 ARG 29 HH12 ARG 29 8.120 2.760 -5.852 206 HH21 ARG 29 HH21 ARG 29 9.226 5.631 -4.166 207 HH22 ARG 29 HH22 ARG 29 9.198 4.764 -5.685 208 H TYR 30 H TYR 30 3.361 1.990 -0.171 209 HA TYR 30 HA TYR 30 2.221 0.149 1.814 210 HB2 TYR 30 HB2 TYR 30 0.695 2.586 0.840 211 HB3 TYR 30 HB3 TYR 30 -0.111 1.142 1.472 212 HD1 TYR 30 HD1 TYR 30 1.653 4.201 2.305 213 HD2 TYR 30 HD2 TYR 30 0.262 0.496 3.885 214 HE1 TYR 30 HE1 TYR 30 1.878 5.090 4.583 215 HE2 TYR 30 HE2 TYR 30 0.488 1.383 6.164 216 HH TYR 30 HH TYR 30 2.236 4.033 6.945 217 H VAL 31 H VAL 31 0.681 -1.319 0.891 218 HA VAL 31 HA VAL 31 0.451 -1.205 -2.081 219 HB VAL 31 HB VAL 31 1.012 -3.834 -0.668 220 HG11 VAL 31 HG11 VAL 31 -0.060 -3.912 -2.896 221 HG12 VAL 31 HG12 VAL 31 1.312 -3.003 -3.573 222 HG13 VAL 31 HG13 VAL 31 1.568 -4.632 -2.903 223 HG21 VAL 31 HG21 VAL 31 2.969 -2.370 -0.304 224 HG22 VAL 31 HG22 VAL 31 3.335 -3.732 -1.390 225 HG23 VAL 31 HG23 VAL 31 3.080 -2.103 -2.061 226 H CYS 32 H CYS 32 -1.377 -2.056 -2.955 227 HA CYS 32 HA CYS 32 -3.419 -3.168 -1.084 228 HB2 CYS 32 HB2 CYS 32 -3.787 -0.980 -3.150 229 HB3 CYS 32 HB3 CYS 32 -5.138 -1.891 -2.458 230 H SER 33 H SER 33 -3.584 -5.217 -1.704 231 HA SER 33 HA SER 33 -3.486 -5.874 -4.609 232 HB2 SER 33 HB3 SER 33 -3.142 -7.551 -2.109 233 HB3 SER 33 HB2 SER 33 -3.223 -8.231 -3.748 234 HG SER 33 HG SER 33 -1.059 -7.841 -3.056 235 H VAL 34 H VAL 34 -5.799 -4.775 -3.002 236 HA VAL 34 HA VAL 34 -7.774 -6.939 -3.058 237 HB VAL 34 HB VAL 34 -9.371 -4.993 -2.461 238 HG11 VAL 34 HG11 VAL 34 -8.542 -6.705 -0.897 239 HG12 VAL 34 HG12 VAL 34 -8.738 -5.117 -0.118 240 HG13 VAL 34 HG13 VAL 34 -7.115 -5.696 -0.565 241 HG21 VAL 34 HG21 VAL 34 -7.893 -3.135 -3.160 242 HG22 VAL 34 HG22 VAL 34 -8.355 -3.017 -1.445 243 HG23 VAL 34 HG23 VAL 34 -6.732 -3.596 -1.892 Start of MODEL 12 1 H1 CYS 1 H1 CYS 1 -11.105 4.912 -5.224 2 H2 CYS 1 H2 CYS 1 -11.731 3.963 -6.418 3 H3 CYS 1 H3 CYS 1 -12.589 4.219 -5.032 4 HA CYS 1 HA CYS 1 -10.980 3.047 -3.725 5 HB2 CYS 1 HB2 CYS 1 -12.882 1.833 -4.744 6 HB3 CYS 1 HB3 CYS 1 -11.889 1.486 -6.169 7 H VAL 2 H VAL 2 -9.073 1.857 -3.575 8 HA VAL 2 HA VAL 2 -7.238 2.058 -5.920 9 HB VAL 2 HB VAL 2 -6.311 2.445 -3.044 10 HG11 VAL 2 HG11 VAL 2 -5.016 2.556 -5.746 11 HG12 VAL 2 HG12 VAL 2 -4.414 3.632 -4.462 12 HG13 VAL 2 HG13 VAL 2 -4.415 1.869 -4.217 13 HG21 VAL 2 HG21 VAL 2 -7.830 4.298 -3.652 14 HG22 VAL 2 HG22 VAL 2 -6.145 4.841 -3.472 15 HG23 VAL 2 HG23 VAL 2 -6.839 4.621 -5.095 16 H SER 3 H SER 3 -7.903 -0.085 -6.367 17 HA SER 3 HA SER 3 -7.347 -2.213 -4.430 18 HB2 SER 3 HB3 SER 3 -8.174 -2.333 -7.351 19 HB3 SER 3 HB2 SER 3 -8.090 -3.718 -6.240 20 HG SER 3 HG SER 3 -10.215 -2.833 -6.399 21 H SER 4 H SER 4 -5.795 -0.823 -7.297 22 HA SER 4 HA SER 4 -3.437 -2.572 -6.755 23 HB2 SER 4 HB3 SER 4 -3.032 -2.652 -9.229 24 HB3 SER 4 HB2 SER 4 -4.485 -3.526 -8.701 25 HG SER 4 HG SER 4 -4.869 -2.203 -10.553 26 H GLY 5 H GLY 5 -1.617 -1.506 -6.443 27 HA2 GLY 5 HA2 GLY 5 -0.159 0.255 -7.607 28 HA3 GLY 5 HA3 GLY 5 -1.521 1.352 -7.310 29 H ILE 6 H ILE 6 0.284 2.567 -6.273 30 HA ILE 6 HA ILE 6 1.015 1.564 -3.577 31 HB ILE 6 HB ILE 6 1.965 4.010 -5.134 32 HG12 ILE 6 HG13 ILE 6 2.857 2.035 -6.148 33 HG13 ILE 6 HG12 ILE 6 4.148 2.813 -5.224 34 HG21 ILE 6 HG21 ILE 6 3.806 4.031 -3.314 35 HG22 ILE 6 HG22 ILE 6 2.208 4.702 -2.910 36 HG23 ILE 6 HG23 ILE 6 2.658 3.075 -2.347 37 HD11 ILE 6 HD11 ILE 6 4.119 0.309 -5.073 38 HD12 ILE 6 HD12 ILE 6 4.045 1.142 -3.502 39 HD13 ILE 6 HD13 ILE 6 2.571 0.432 -4.203 40 H VAL 7 H VAL 7 0.718 2.840 -1.690 41 HA VAL 7 HA VAL 7 -1.297 5.000 -1.893 42 HB VAL 7 HB VAL 7 -2.534 4.024 0.103 43 HG11 VAL 7 HG11 VAL 7 -3.429 4.045 -2.193 44 HG12 VAL 7 HG12 VAL 7 -3.977 2.628 -1.266 45 HG13 VAL 7 HG13 VAL 7 -2.690 2.452 -2.483 46 HG21 VAL 7 HG21 VAL 7 -0.660 2.256 0.504 47 HG22 VAL 7 HG22 VAL 7 -1.506 1.322 -0.753 48 HG23 VAL 7 HG23 VAL 7 -2.361 1.787 0.738 49 H ASP 8 H ASP 8 -1.171 6.561 -0.384 50 HA ASP 8 HA ASP 8 1.218 6.482 1.373 51 HB2 ASP 8 HB2 ASP 8 -0.649 8.709 0.497 52 HB3 ASP 8 HB3 ASP 8 0.624 8.935 1.711 53 H ALA 9 H ALA 9 -1.727 5.313 1.617 54 HA ALA 9 HA ALA 9 -1.911 5.769 4.532 55 HB1 ALA 9 HB1 ALA 9 -3.425 7.384 3.027 56 HB2 ALA 9 HB2 ALA 9 -4.007 6.710 4.567 57 HB3 ALA 9 HB3 ALA 9 -4.493 5.960 3.028 58 H CYS 10 H CYS 10 -4.511 4.537 4.754 59 HA CYS 10 HA CYS 10 -4.378 1.874 3.537 60 HB2 CYS 10 HB2 CYS 10 -3.390 2.381 6.271 61 HB3 CYS 10 HB3 CYS 10 -4.626 1.116 6.177 62 H SER 11 H SER 11 -5.778 4.167 5.830 63 HA SER 11 HA SER 11 -8.348 2.800 6.020 64 HB2 SER 11 HB3 SER 11 -9.056 4.912 7.176 65 HB3 SER 11 HB2 SER 11 -7.625 4.139 7.891 66 HG SER 11 HG SER 11 -7.364 6.416 7.627 67 H GLU 12 H GLU 12 -6.840 5.095 3.898 68 HA GLU 12 HA GLU 12 -9.360 6.038 2.708 69 HB2 GLU 12 HB2 GLU 12 -6.438 6.500 2.058 70 HB3 GLU 12 HB3 GLU 12 -7.753 7.124 1.048 71 HG2 GLU 12 HG3 GLU 12 -8.617 8.395 2.980 72 HG3 GLU 12 HG2 GLU 12 -7.288 7.769 3.974 73 H CYS 13 H CYS 13 -6.908 3.589 2.187 74 HA CYS 13 HA CYS 13 -7.716 2.945 -0.549 75 HB2 CYS 13 HB2 CYS 13 -5.419 2.550 0.277 76 HB3 CYS 13 HB3 CYS 13 -6.040 1.382 1.456 77 H CYS 14 H CYS 14 -8.455 0.671 -1.099 78 HA CYS 14 HA CYS 14 -10.866 0.079 0.453 79 HB2 CYS 14 HB2 CYS 14 -9.689 -1.022 -2.104 80 HB3 CYS 14 HB3 CYS 14 -11.155 -1.692 -1.368 81 H GLU 15 H GLU 15 -8.073 -0.486 1.525 82 HA GLU 15 HA GLU 15 -8.592 -3.314 2.331 83 HB2 GLU 15 HB3 GLU 15 -5.978 -2.015 1.523 84 HB3 GLU 15 HB2 GLU 15 -6.034 -3.462 2.543 85 HG2 GLU 15 HG2 GLU 15 -7.444 -4.523 0.693 86 HG3 GLU 15 HG3 GLU 15 -6.939 -3.158 -0.321 87 HA PRO 16 HA PRO 16 -8.502 -0.814 6.191 88 HB2 PRO 16 HB2 PRO 16 -9.913 -3.136 7.381 89 HB3 PRO 16 HB3 PRO 16 -10.439 -1.434 7.251 90 HG2 PRO 16 HG2 PRO 16 -11.573 -3.413 5.812 91 HG3 PRO 16 HG3 PRO 16 -11.401 -1.746 5.195 92 HD2 PRO 16 HD3 PRO 16 -9.725 -4.179 4.602 93 HD3 PRO 16 HD2 PRO 16 -10.335 -2.921 3.481 94 H ASP 17 H ASP 17 -7.925 -4.343 5.972 95 HA ASP 17 HA ASP 17 -5.611 -4.016 7.828 96 HB2 ASP 17 HB3 ASP 17 -7.770 -6.145 7.954 97 HB3 ASP 17 HB2 ASP 17 -6.194 -6.306 8.752 98 H LYS 18 H LYS 18 -6.704 -4.926 4.821 99 HA LYS 18 HA LYS 18 -4.838 -7.185 4.446 100 HB2 LYS 18 HB3 LYS 18 -6.897 -5.847 2.677 101 HB3 LYS 18 HB2 LYS 18 -5.757 -7.055 2.061 102 HG2 LYS 18 HG2 LYS 18 -6.618 -8.705 3.661 103 HG3 LYS 18 HG3 LYS 18 -7.761 -7.501 4.294 104 HD2 LYS 18 HD2 LYS 18 -8.814 -7.337 2.072 105 HD3 LYS 18 HD3 LYS 18 -7.671 -8.539 1.438 106 HE2 LYS 18 HE2 LYS 18 -9.665 -9.728 1.908 107 HE3 LYS 18 HE3 LYS 18 -8.549 -10.124 3.230 108 HZ1 LYS 18 HZ1 LYS 18 -10.745 -9.629 4.040 109 HZ2 LYS 18 HZ2 LYS 18 -10.718 -8.131 3.351 110 HZ3 LYS 18 HZ3 LYS 18 -9.681 -8.491 4.582 111 H CYS 19 H CYS 19 -4.469 -3.902 4.542 112 HA CYS 19 HA CYS 19 -2.673 -3.675 2.204 113 HB2 CYS 19 HB3 CYS 19 -2.454 -1.325 2.866 114 HB3 CYS 19 HB2 CYS 19 -4.151 -1.804 2.708 115 H ILE 20 H ILE 20 -0.502 -3.632 2.253 116 HA ILE 20 HA ILE 20 0.764 -4.228 4.873 117 HB ILE 20 HB ILE 20 2.790 -4.874 3.505 118 HG12 ILE 20 HG12 ILE 20 1.881 -5.609 1.063 119 HG13 ILE 20 HG13 ILE 20 0.980 -4.097 1.276 120 HG21 ILE 20 HG21 ILE 20 1.187 -6.509 4.422 121 HG22 ILE 20 HG22 ILE 20 1.913 -7.057 2.892 122 HG23 ILE 20 HG23 ILE 20 0.251 -6.420 2.911 123 HD11 ILE 20 HD11 ILE 20 3.094 -3.712 0.102 124 HD12 ILE 20 HD12 ILE 20 3.095 -2.901 1.686 125 HD13 ILE 20 HD13 ILE 20 3.992 -4.422 1.465 126 H ILE 21 H ILE 21 2.842 -3.278 5.396 127 HA ILE 21 HA ILE 21 2.781 -0.381 4.877 128 HB ILE 21 HB ILE 21 4.868 -1.783 6.582 129 HG12 ILE 21 HG13 ILE 21 3.035 -1.037 8.442 130 HG13 ILE 21 HG12 ILE 21 1.958 -1.522 7.121 131 HG21 ILE 21 HG21 ILE 21 5.122 0.642 6.144 132 HG22 ILE 21 HG22 ILE 21 3.513 0.925 6.851 133 HG23 ILE 21 HG23 ILE 21 4.832 0.296 7.866 134 HD11 ILE 21 HD11 ILE 21 2.370 -3.382 8.654 135 HD12 ILE 21 HD12 ILE 21 3.030 -3.727 7.038 136 HD13 ILE 21 HD13 ILE 21 4.120 -3.247 8.360 137 H MET 22 H MET 22 4.758 0.814 4.407 138 HA MET 22 HA MET 22 5.893 0.344 1.943 139 HB2 MET 22 HB2 MET 22 7.249 1.676 4.312 140 HB3 MET 22 HB3 MET 22 7.722 1.872 2.617 141 HG2 MET 22 HG2 MET 22 5.399 2.792 2.199 142 HG3 MET 22 HG3 MET 22 5.171 2.802 3.958 143 HE1 MET 22 HE1 MET 22 7.443 5.612 5.226 144 HE2 MET 22 HE2 MET 22 7.565 3.844 5.395 145 HE3 MET 22 HE3 MET 22 5.978 4.642 5.513 146 H LEU 23 H LEU 23 6.877 -1.422 1.209 147 HA LEU 23 HA LEU 23 9.339 -2.314 2.546 148 HB2 LEU 23 HB2 LEU 23 8.134 -3.846 3.706 149 HB3 LEU 23 HB3 LEU 23 6.815 -3.888 2.532 150 HG LEU 23 HG LEU 23 8.603 -5.176 1.056 151 HD11 LEU 23 HD11 LEU 23 10.460 -4.862 2.649 152 HD12 LEU 23 HD12 LEU 23 9.550 -5.771 3.879 153 HD13 LEU 23 HD13 LEU 23 10.091 -6.584 2.391 154 HD21 LEU 23 HD21 LEU 23 6.439 -6.056 1.840 155 HD22 LEU 23 HD22 LEU 23 7.182 -6.473 3.403 156 HD23 LEU 23 HD23 LEU 23 7.723 -7.287 1.915 157 HA PRO 24 HA PRO 24 9.115 -4.484 -1.824 158 HB2 PRO 24 HB2 PRO 24 6.871 -2.990 -3.155 159 HB3 PRO 24 HB3 PRO 24 7.311 -4.721 -3.256 160 HG2 PRO 24 HG3 PRO 24 5.198 -3.958 -1.859 161 HG3 PRO 24 HG2 PRO 24 6.285 -5.231 -1.231 162 HD2 PRO 24 HD3 PRO 24 6.159 -2.297 -0.514 163 HD3 PRO 24 HD2 PRO 24 6.262 -3.718 0.573 164 H THR 25 H THR 25 9.690 -3.667 -4.106 165 HA THR 25 HA THR 25 11.050 -2.333 -5.379 166 HB THR 25 HB THR 25 10.451 0.085 -5.622 167 HG1 THR 25 HG1 THR 25 8.694 0.884 -4.446 168 HG21 THR 25 HG21 THR 25 8.199 -0.299 -6.545 169 HG22 THR 25 HG22 THR 25 9.316 -1.618 -6.969 170 HG23 THR 25 HG23 THR 25 8.112 -1.852 -5.679 171 H TRP 26 H TRP 26 12.463 -0.167 -5.374 172 HA TRP 26 HA TRP 26 14.391 -0.557 -3.281 173 HB2 TRP 26 HB2 TRP 26 15.143 1.842 -4.365 174 HB3 TRP 26 HB3 TRP 26 15.629 0.248 -4.957 175 HD1 TRP 26 HD1 TRP 26 13.702 -0.750 -6.921 176 HE1 TRP 26 HE1 TRP 26 12.731 0.534 -8.926 177 HE3 TRP 26 HE3 TRP 26 14.706 4.011 -5.341 178 HZ2 TRP 26 HZ2 TRP 26 12.504 3.215 -9.744 179 HZ3 TRP 26 HZ3 TRP 26 14.101 5.891 -6.812 180 HH2 TRP 26 HH2 TRP 26 13.014 5.495 -8.984 181 HA PRO 27 HA PRO 27 12.918 3.455 -1.232 182 HB2 PRO 27 HB2 PRO 27 10.576 4.671 -2.366 183 HB3 PRO 27 HB3 PRO 27 12.263 5.232 -2.519 184 HG2 PRO 27 HG3 PRO 27 10.654 4.259 -4.587 185 HG3 PRO 27 HG2 PRO 27 12.428 4.452 -4.634 186 HD2 PRO 27 HD2 PRO 27 10.786 1.982 -4.148 187 HD3 PRO 27 HD3 PRO 27 12.349 2.175 -5.002 188 HA PRO 28 HA PRO 28 9.564 1.712 1.194 189 HB2 PRO 28 HB3 PRO 28 9.065 4.177 2.707 190 HB3 PRO 28 HB2 PRO 28 9.923 2.702 3.233 191 HG2 PRO 28 HG2 PRO 28 11.146 5.111 2.830 192 HG3 PRO 28 HG3 PRO 28 11.968 3.536 2.648 193 HD2 PRO 28 HD3 PRO 28 10.826 5.345 0.527 194 HD3 PRO 28 HD2 PRO 28 12.370 4.436 0.532 195 H ARG 29 H ARG 29 7.629 1.295 0.288 196 HA ARG 29 HA ARG 29 5.606 3.446 0.133 197 HB2 ARG 29 HB3 ARG 29 6.648 1.929 -2.270 198 HB3 ARG 29 HB2 ARG 29 5.008 2.601 -2.233 199 HG2 ARG 29 HG2 ARG 29 5.834 4.836 -2.014 200 HG3 ARG 29 HG3 ARG 29 7.495 4.263 -1.753 201 HD2 ARG 29 HD2 ARG 29 7.499 3.315 -4.044 202 HD3 ARG 29 HD3 ARG 29 5.865 3.961 -4.299 203 HE ARG 29 HE ARG 29 7.581 6.080 -3.476 204 HH11 ARG 29 HH11 ARG 29 7.045 3.971 -6.276 205 HH12 ARG 29 HH12 ARG 29 7.662 5.149 -7.413 206 HH21 ARG 29 HH21 ARG 29 8.368 7.570 -4.977 207 HH22 ARG 29 HH22 ARG 29 8.406 7.175 -6.680 208 H TYR 30 H TYR 30 3.565 2.775 0.464 209 HA TYR 30 HA TYR 30 3.057 0.034 1.341 210 HB2 TYR 30 HB2 TYR 30 1.254 2.439 0.881 211 HB3 TYR 30 HB3 TYR 30 0.670 0.889 1.501 212 HD1 TYR 30 HD1 TYR 30 2.883 3.783 2.270 213 HD2 TYR 30 HD2 TYR 30 0.882 0.349 3.805 214 HE1 TYR 30 HE1 TYR 30 3.364 4.526 4.562 215 HE2 TYR 30 HE2 TYR 30 1.370 1.085 6.094 216 HH TYR 30 HH TYR 30 1.843 3.394 7.223 217 H VAL 31 H VAL 31 1.419 -1.408 0.379 218 HA VAL 31 HA VAL 31 0.767 -0.786 -2.463 219 HB VAL 31 HB VAL 31 1.792 -3.533 -1.640 220 HG11 VAL 31 HG11 VAL 31 0.254 -3.481 -3.578 221 HG12 VAL 31 HG12 VAL 31 1.335 -2.321 -4.387 222 HG13 VAL 31 HG13 VAL 31 1.903 -3.971 -4.037 223 HG21 VAL 31 HG21 VAL 31 3.626 -1.879 -1.496 224 HG22 VAL 31 HG22 VAL 31 3.297 -1.388 -3.175 225 HG23 VAL 31 HG23 VAL 31 3.865 -3.038 -2.825 226 H CYS 32 H CYS 32 -1.264 -1.086 -2.944 227 HA CYS 32 HA CYS 32 -2.980 -2.648 -1.074 228 HB2 CYS 32 HB2 CYS 32 -3.488 -0.413 -3.032 229 HB3 CYS 32 HB3 CYS 32 -4.815 -1.463 -2.512 230 H SER 33 H SER 33 -3.907 -4.511 -1.676 231 HA SER 33 HA SER 33 -3.911 -5.211 -4.583 232 HB2 SER 33 HB2 SER 33 -2.006 -6.265 -3.276 233 HB3 SER 33 HB3 SER 33 -3.237 -7.170 -2.370 234 HG SER 33 HG SER 33 -2.430 -8.341 -4.186 235 H VAL 34 H VAL 34 -5.856 -4.346 -2.377 236 HA VAL 34 HA VAL 34 -7.948 -4.775 -1.586 237 HB VAL 34 HB VAL 34 -8.368 -4.206 -3.963 238 HG11 VAL 34 HG11 VAL 34 -9.333 -6.112 -5.405 239 HG12 VAL 34 HG12 VAL 34 -8.373 -7.188 -4.362 240 HG13 VAL 34 HG13 VAL 34 -7.566 -5.919 -5.314 241 HG21 VAL 34 HG21 VAL 34 -10.192 -4.430 -2.317 242 HG22 VAL 34 HG22 VAL 34 -10.418 -6.121 -2.826 243 HG23 VAL 34 HG23 VAL 34 -10.708 -4.797 -3.981 Start of MODEL 13 1 H1 CYS 1 H1 CYS 1 -10.819 5.229 -5.164 2 H2 CYS 1 H2 CYS 1 -12.338 4.605 -5.009 3 H3 CYS 1 H3 CYS 1 -11.487 4.367 -6.401 4 HA CYS 1 HA CYS 1 -10.800 3.296 -3.749 5 HB2 CYS 1 HB2 CYS 1 -12.748 2.211 -4.794 6 HB3 CYS 1 HB3 CYS 1 -11.807 1.917 -6.265 7 H VAL 2 H VAL 2 -8.979 1.962 -3.661 8 HA VAL 2 HA VAL 2 -7.108 2.182 -5.974 9 HB VAL 2 HB VAL 2 -6.207 2.375 -3.068 10 HG11 VAL 2 HG11 VAL 2 -4.537 1.528 -4.684 11 HG12 VAL 2 HG12 VAL 2 -4.750 3.001 -5.660 12 HG13 VAL 2 HG13 VAL 2 -4.080 3.113 -4.014 13 HG21 VAL 2 HG21 VAL 2 -7.567 4.358 -3.641 14 HG22 VAL 2 HG22 VAL 2 -5.851 4.766 -3.405 15 HG23 VAL 2 HG23 VAL 2 -6.521 4.655 -5.050 16 H SER 3 H SER 3 -7.857 0.131 -6.567 17 HA SER 3 HA SER 3 -7.620 -2.156 -4.787 18 HB2 SER 3 HB3 SER 3 -8.020 -2.004 -7.796 19 HB3 SER 3 HB2 SER 3 -8.180 -3.469 -6.803 20 HG SER 3 HG SER 3 -10.204 -2.428 -7.184 21 H SER 4 H SER 4 -5.663 -0.793 -7.442 22 HA SER 4 HA SER 4 -3.416 -2.538 -6.562 23 HB2 SER 4 HB2 SER 4 -4.257 -2.119 -9.456 24 HB3 SER 4 HB3 SER 4 -2.791 -2.967 -8.916 25 HG SER 4 HG SER 4 -4.539 -4.407 -9.358 26 H GLY 5 H GLY 5 -1.679 -1.398 -6.120 27 HA2 GLY 5 HA2 GLY 5 -0.144 0.257 -7.470 28 HA3 GLY 5 HA3 GLY 5 -1.495 1.371 -7.183 29 H ILE 6 H ILE 6 0.227 2.644 -6.159 30 HA ILE 6 HA ILE 6 1.041 1.670 -3.475 31 HB ILE 6 HB ILE 6 1.910 4.131 -5.052 32 HG12 ILE 6 HG12 ILE 6 2.824 2.187 -6.081 33 HG13 ILE 6 HG13 ILE 6 4.123 2.965 -5.170 34 HG21 ILE 6 HG21 ILE 6 3.776 4.193 -3.259 35 HG22 ILE 6 HG22 ILE 6 2.666 3.208 -2.276 36 HG23 ILE 6 HG23 ILE 6 2.169 4.826 -2.828 37 HD11 ILE 6 HD11 ILE 6 4.111 0.459 -5.044 38 HD12 ILE 6 HD12 ILE 6 4.027 1.262 -3.458 39 HD13 ILE 6 HD13 ILE 6 2.559 0.556 -4.176 40 H VAL 7 H VAL 7 0.719 2.914 -1.590 41 HA VAL 7 HA VAL 7 -1.333 5.042 -1.762 42 HB VAL 7 HB VAL 7 -2.568 4.027 0.204 43 HG11 VAL 7 HG11 VAL 7 -3.180 3.920 -2.320 44 HG12 VAL 7 HG12 VAL 7 -2.781 2.192 -2.167 45 HG13 VAL 7 HG13 VAL 7 -4.067 2.901 -1.161 46 HG21 VAL 7 HG21 VAL 7 -0.643 2.318 0.635 47 HG22 VAL 7 HG22 VAL 7 -2.332 1.806 0.863 48 HG23 VAL 7 HG23 VAL 7 -1.456 1.349 -0.617 49 H ASP 8 H ASP 8 -1.238 6.582 -0.220 50 HA ASP 8 HA ASP 8 1.160 6.523 1.525 51 HB2 ASP 8 HB2 ASP 8 0.393 8.482 -0.042 52 HB3 ASP 8 HB3 ASP 8 -0.751 8.849 1.263 53 H ALA 9 H ALA 9 -1.767 5.278 1.736 54 HA ALA 9 HA ALA 9 -1.924 5.524 4.663 55 HB1 ALA 9 HB1 ALA 9 -3.371 7.364 3.366 56 HB2 ALA 9 HB2 ALA 9 -4.518 6.009 3.245 57 HB3 ALA 9 HB3 ALA 9 -3.966 6.567 4.842 58 H CYS 10 H CYS 10 -4.595 4.428 4.816 59 HA CYS 10 HA CYS 10 -4.588 1.874 3.361 60 HB2 CYS 10 HB2 CYS 10 -3.091 1.360 5.238 61 HB3 CYS 10 HB3 CYS 10 -4.293 1.965 6.389 62 H SER 11 H SER 11 -5.936 4.038 5.821 63 HA SER 11 HA SER 11 -8.574 2.830 5.871 64 HB2 SER 11 HB2 SER 11 -7.576 4.226 7.715 65 HB3 SER 11 HB3 SER 11 -7.774 5.652 6.674 66 HG SER 11 HG SER 11 -9.550 5.351 8.117 67 H GLU 12 H GLU 12 -6.914 5.122 3.857 68 HA GLU 12 HA GLU 12 -9.367 6.152 2.594 69 HB2 GLU 12 HB3 GLU 12 -6.410 6.605 2.092 70 HB3 GLU 12 HB2 GLU 12 -7.680 7.275 1.054 71 HG2 GLU 12 HG2 GLU 12 -8.616 8.495 2.963 72 HG3 GLU 12 HG3 GLU 12 -7.357 7.824 4.018 73 H CYS 13 H CYS 13 -6.941 3.676 2.131 74 HA CYS 13 HA CYS 13 -7.648 3.133 -0.664 75 HB2 CYS 13 HB2 CYS 13 -5.364 2.754 0.309 76 HB3 CYS 13 HB3 CYS 13 -6.042 1.437 1.282 77 H CYS 14 H CYS 14 -8.275 0.807 -1.268 78 HA CYS 14 HA CYS 14 -10.734 0.159 0.202 79 HB2 CYS 14 HB3 CYS 14 -9.513 -0.768 -2.398 80 HB3 CYS 14 HB2 CYS 14 -10.922 -1.578 -1.690 81 H GLU 15 H GLU 15 -8.028 -0.385 1.387 82 HA GLU 15 HA GLU 15 -8.410 -3.304 1.921 83 HB2 GLU 15 HB2 GLU 15 -5.876 -1.668 1.663 84 HB3 GLU 15 HB3 GLU 15 -5.903 -3.209 2.535 85 HG2 GLU 15 HG3 GLU 15 -6.954 -3.051 -0.281 86 HG3 GLU 15 HG2 GLU 15 -5.206 -3.121 0.016 87 HA PRO 16 HA PRO 16 -9.231 -1.323 5.959 88 HB2 PRO 16 HB2 PRO 16 -10.230 -3.990 6.777 89 HB3 PRO 16 HB3 PRO 16 -11.097 -2.432 6.689 90 HG2 PRO 16 HG3 PRO 16 -11.570 -4.466 4.980 91 HG3 PRO 16 HG2 PRO 16 -11.724 -2.750 4.508 92 HD2 PRO 16 HD2 PRO 16 -9.482 -4.693 3.958 93 HD3 PRO 16 HD3 PRO 16 -10.222 -3.466 2.884 94 H ASP 17 H ASP 17 -8.016 -4.716 5.746 95 HA ASP 17 HA ASP 17 -5.920 -4.001 7.737 96 HB2 ASP 17 HB2 ASP 17 -6.247 -6.235 8.847 97 HB3 ASP 17 HB3 ASP 17 -7.550 -5.065 9.118 98 H LYS 18 H LYS 18 -6.689 -5.307 4.749 99 HA LYS 18 HA LYS 18 -4.482 -7.268 4.692 100 HB2 LYS 18 HB3 LYS 18 -6.593 -6.423 2.696 101 HB3 LYS 18 HB2 LYS 18 -5.243 -7.483 2.255 102 HG2 LYS 18 HG2 LYS 18 -5.947 -9.106 3.961 103 HG3 LYS 18 HG3 LYS 18 -7.305 -8.051 4.406 104 HD2 LYS 18 HD3 LYS 18 -8.206 -8.252 2.118 105 HD3 LYS 18 HD2 LYS 18 -6.846 -9.307 1.679 106 HE2 LYS 18 HE2 LYS 18 -7.557 -10.938 3.376 107 HE3 LYS 18 HE3 LYS 18 -8.918 -9.889 3.822 108 HZ1 LYS 18 HZ1 LYS 18 -9.589 -11.622 2.316 109 HZ2 LYS 18 HZ2 LYS 18 -9.762 -10.151 1.589 110 HZ3 LYS 18 HZ3 LYS 18 -8.498 -11.128 1.181 111 H CYS 19 H CYS 19 -4.266 -4.134 4.855 112 HA CYS 19 HA CYS 19 -2.629 -3.616 2.443 113 HB2 CYS 19 HB2 CYS 19 -2.548 -1.329 3.184 114 HB3 CYS 19 HB3 CYS 19 -4.223 -1.894 3.284 115 H ILE 20 H ILE 20 -0.464 -3.633 2.379 116 HA ILE 20 HA ILE 20 0.940 -4.250 4.922 117 HB ILE 20 HB ILE 20 2.915 -4.813 3.415 118 HG12 ILE 20 HG13 ILE 20 1.014 -5.260 1.153 119 HG13 ILE 20 HG12 ILE 20 1.593 -3.605 1.409 120 HG21 ILE 20 HG21 ILE 20 2.006 -7.043 2.862 121 HG22 ILE 20 HG22 ILE 20 0.361 -6.433 3.159 122 HG23 ILE 20 HG23 ILE 20 1.537 -6.509 4.494 123 HD11 ILE 20 HD11 ILE 20 2.991 -4.791 -0.216 124 HD12 ILE 20 HD12 ILE 20 3.919 -4.380 1.246 125 HD13 ILE 20 HD13 ILE 20 3.347 -6.046 0.995 126 H ILE 21 H ILE 21 3.021 -3.303 5.357 127 HA ILE 21 HA ILE 21 2.915 -0.394 4.922 128 HB ILE 21 HB ILE 21 5.112 -1.787 6.481 129 HG12 ILE 21 HG12 ILE 21 3.349 -1.220 8.455 130 HG13 ILE 21 HG13 ILE 21 2.219 -1.691 7.174 131 HG21 ILE 21 HG21 ILE 21 4.482 0.337 7.963 132 HG22 ILE 21 HG22 ILE 21 3.851 0.925 6.407 133 HG23 ILE 21 HG23 ILE 21 5.564 0.462 6.555 134 HD11 ILE 21 HD11 ILE 21 2.798 -3.599 8.591 135 HD12 ILE 21 HD12 ILE 21 4.524 -3.362 8.224 136 HD13 ILE 21 HD13 ILE 21 3.397 -3.841 6.932 137 H MET 22 H MET 22 4.918 0.820 4.456 138 HA MET 22 HA MET 22 5.949 0.398 1.916 139 HB2 MET 22 HB3 MET 22 7.326 1.760 4.261 140 HB3 MET 22 HB2 MET 22 7.795 1.929 2.563 141 HG2 MET 22 HG2 MET 22 5.474 2.827 2.120 142 HG3 MET 22 HG3 MET 22 5.247 2.883 3.879 143 HE1 MET 22 HE1 MET 22 5.888 6.633 2.483 144 HE2 MET 22 HE2 MET 22 5.242 5.295 1.503 145 HE3 MET 22 HE3 MET 22 4.653 5.547 3.164 146 H LEU 23 H LEU 23 6.894 -1.386 1.170 147 HA LEU 23 HA LEU 23 9.424 -2.242 2.405 148 HB2 LEU 23 HB3 LEU 23 8.252 -3.770 3.633 149 HB3 LEU 23 HB2 LEU 23 6.913 -3.834 2.484 150 HG LEU 23 HG LEU 23 8.644 -5.121 0.972 151 HD11 LEU 23 HD11 LEU 23 10.565 -4.780 2.480 152 HD12 LEU 23 HD12 LEU 23 9.715 -5.682 3.757 153 HD13 LEU 23 HD13 LEU 23 10.198 -6.507 2.255 154 HD21 LEU 23 HD21 LEU 23 6.523 -6.008 1.856 155 HD22 LEU 23 HD22 LEU 23 7.818 -7.229 1.887 156 HD23 LEU 23 HD23 LEU 23 7.335 -6.405 3.389 157 HA PRO 24 HA PRO 24 9.006 -4.456 -1.938 158 HB2 PRO 24 HB2 PRO 24 6.729 -2.931 -3.177 159 HB3 PRO 24 HB3 PRO 24 7.148 -4.665 -3.305 160 HG2 PRO 24 HG2 PRO 24 5.098 -3.906 -1.818 161 HG3 PRO 24 HG3 PRO 24 6.216 -5.174 -1.238 162 HD2 PRO 24 HD3 PRO 24 6.123 -2.246 -0.505 163 HD3 PRO 24 HD2 PRO 24 6.269 -3.673 0.568 164 H THR 25 H THR 25 9.518 -3.659 -4.236 165 HA THR 25 HA THR 25 10.848 -2.349 -5.563 166 HB THR 25 HB THR 25 10.273 0.075 -5.802 167 HG1 THR 25 HG1 THR 25 8.576 0.910 -4.568 168 HG21 THR 25 HG21 THR 25 7.983 -0.283 -6.641 169 HG22 THR 25 HG22 THR 25 9.065 -1.621 -7.094 170 HG23 THR 25 HG23 THR 25 7.905 -1.827 -5.759 171 H TRP 26 H TRP 26 12.281 -0.187 -5.611 172 HA TRP 26 HA TRP 26 14.284 -0.603 -3.592 173 HB2 TRP 26 HB2 TRP 26 15.013 1.794 -4.698 174 HB3 TRP 26 HB3 TRP 26 15.465 0.197 -5.309 175 HD1 TRP 26 HD1 TRP 26 13.461 -0.783 -7.203 176 HE1 TRP 26 HE1 TRP 26 12.427 0.512 -9.169 177 HE3 TRP 26 HE3 TRP 26 14.559 3.967 -5.655 178 HZ2 TRP 26 HZ2 TRP 26 12.191 3.196 -9.975 179 HZ3 TRP 26 HZ3 TRP 26 13.917 5.855 -7.100 180 HH2 TRP 26 HH2 TRP 26 12.747 5.471 -9.232 181 HA PRO 27 HA PRO 27 12.928 3.407 -1.468 182 HB2 PRO 27 HB2 PRO 27 10.577 4.676 -2.512 183 HB3 PRO 27 HB3 PRO 27 12.269 5.200 -2.732 184 HG2 PRO 27 HG3 PRO 27 10.552 4.259 -4.733 185 HG3 PRO 27 HG2 PRO 27 12.324 4.432 -4.856 186 HD2 PRO 27 HD2 PRO 27 10.675 1.980 -4.315 187 HD3 PRO 27 HD3 PRO 27 12.209 2.159 -5.225 188 HA PRO 28 HA PRO 28 9.627 1.711 1.061 189 HB2 PRO 28 HB2 PRO 28 9.207 4.185 2.588 190 HB3 PRO 28 HB3 PRO 28 10.056 2.694 3.084 191 HG2 PRO 28 HG2 PRO 28 11.312 5.077 2.652 192 HG3 PRO 28 HG3 PRO 28 12.094 3.486 2.443 193 HD2 PRO 28 HD3 PRO 28 10.927 5.324 0.361 194 HD3 PRO 28 HD2 PRO 28 12.454 4.386 0.319 195 H ARG 29 H ARG 29 7.672 1.320 0.185 196 HA ARG 29 HA ARG 29 5.666 3.493 0.098 197 HB2 ARG 29 HB3 ARG 29 6.595 1.951 -2.340 198 HB3 ARG 29 HB2 ARG 29 4.990 2.696 -2.248 199 HG2 ARG 29 HG2 ARG 29 5.929 4.892 -2.036 200 HG3 ARG 29 HG3 ARG 29 7.569 4.236 -1.852 201 HD2 ARG 29 HD2 ARG 29 7.357 3.270 -4.160 202 HD3 ARG 29 HD3 ARG 29 5.813 4.131 -4.325 203 HE ARG 29 HE ARG 29 7.798 6.002 -3.544 204 HH11 ARG 29 HH11 ARG 29 6.978 3.994 -6.348 205 HH12 ARG 29 HH12 ARG 29 7.720 5.096 -7.486 206 HH21 ARG 29 HH21 ARG 29 8.744 7.397 -5.043 207 HH22 ARG 29 HH22 ARG 29 8.714 7.013 -6.750 208 H TYR 30 H TYR 30 3.620 2.833 0.483 209 HA TYR 30 HA TYR 30 3.143 0.113 1.421 210 HB2 TYR 30 HB3 TYR 30 1.341 2.522 0.984 211 HB3 TYR 30 HB2 TYR 30 0.745 0.967 1.578 212 HD1 TYR 30 HD1 TYR 30 0.996 0.335 3.852 213 HD2 TYR 30 HD2 TYR 30 2.946 3.839 2.417 214 HE1 TYR 30 HE1 TYR 30 1.479 1.007 6.162 215 HE2 TYR 30 HE2 TYR 30 3.442 4.508 4.728 216 HH TYR 30 HH TYR 30 2.352 4.028 7.055 217 H VAL 31 H VAL 31 1.467 -1.337 0.585 218 HA VAL 31 HA VAL 31 0.669 -0.847 -2.239 219 HB VAL 31 HB VAL 31 1.897 -3.492 -1.343 220 HG11 VAL 31 HG11 VAL 31 0.153 -3.710 -3.087 221 HG12 VAL 31 HG12 VAL 31 1.770 -4.139 -3.693 222 HG13 VAL 31 HG13 VAL 31 1.052 -2.564 -4.111 223 HG21 VAL 31 HG21 VAL 31 3.613 -1.724 -1.553 224 HG22 VAL 31 HG22 VAL 31 3.784 -2.983 -2.799 225 HG23 VAL 31 HG23 VAL 31 3.066 -1.409 -3.217 226 H CYS 32 H CYS 32 -1.371 -1.316 -2.635 227 HA CYS 32 HA CYS 32 -2.956 -2.652 -0.508 228 HB2 CYS 32 HB3 CYS 32 -3.663 -0.895 -2.868 229 HB3 CYS 32 HB2 CYS 32 -4.889 -1.822 -1.988 230 H SER 33 H SER 33 -3.819 -4.610 -0.715 231 HA SER 33 HA SER 33 -3.422 -6.023 -3.311 232 HB2 SER 33 HB2 SER 33 -3.734 -7.026 -0.470 233 HB3 SER 33 HB3 SER 33 -3.702 -8.089 -1.893 234 HG SER 33 HG SER 33 -1.623 -7.834 -0.927 235 H VAL 34 H VAL 34 -5.690 -4.229 -2.354 236 HA VAL 34 HA VAL 34 -7.955 -4.059 -2.391 237 HB VAL 34 HB VAL 34 -7.404 -4.438 -4.796 238 HG11 VAL 34 HG11 VAL 34 -8.457 -6.615 -5.762 239 HG12 VAL 34 HG12 VAL 34 -8.112 -7.282 -4.148 240 HG13 VAL 34 HG13 VAL 34 -6.787 -6.635 -5.145 241 HG21 VAL 34 HG21 VAL 34 -9.622 -3.682 -4.023 242 HG22 VAL 34 HG22 VAL 34 -9.698 -4.616 -5.536 243 HG23 VAL 34 HG23 VAL 34 -10.170 -5.375 -3.997 Start of MODEL 14 1 H1 CYS 1 H1 CYS 1 -12.359 1.048 -5.252 2 H2 CYS 1 H2 CYS 1 -11.370 0.586 -4.016 3 H3 CYS 1 H3 CYS 1 -12.825 1.289 -3.688 4 HA CYS 1 HA CYS 1 -11.984 3.270 -4.978 5 HB2 CYS 1 HB2 CYS 1 -10.886 4.180 -2.960 6 HB3 CYS 1 HB3 CYS 1 -12.420 3.372 -2.604 7 H VAL 2 H VAL 2 -9.352 1.453 -3.307 8 HA VAL 2 HA VAL 2 -7.632 1.899 -5.696 9 HB VAL 2 HB VAL 2 -6.559 2.216 -2.863 10 HG11 VAL 2 HG11 VAL 2 -5.413 2.280 -5.592 11 HG12 VAL 2 HG12 VAL 2 -4.654 1.873 -4.035 12 HG13 VAL 2 HG13 VAL 2 -4.864 3.577 -4.504 13 HG21 VAL 2 HG21 VAL 2 -8.163 4.043 -3.307 14 HG22 VAL 2 HG22 VAL 2 -6.486 4.630 -3.201 15 HG23 VAL 2 HG23 VAL 2 -7.268 4.452 -4.790 16 H SER 3 H SER 3 -8.136 -0.223 -6.238 17 HA SER 3 HA SER 3 -7.531 -2.421 -4.404 18 HB2 SER 3 HB2 SER 3 -8.350 -2.350 -7.326 19 HB3 SER 3 HB3 SER 3 -8.125 -3.840 -6.383 20 HG SER 3 HG SER 3 -10.173 -1.967 -6.300 21 H SER 4 H SER 4 -5.998 -0.904 -7.240 22 HA SER 4 HA SER 4 -3.551 -2.504 -6.650 23 HB2 SER 4 HB2 SER 4 -4.709 -2.006 -9.417 24 HB3 SER 4 HB3 SER 4 -3.138 -2.764 -9.077 25 HG SER 4 HG SER 4 -4.815 -4.312 -9.421 26 H GLY 5 H GLY 5 -1.712 -1.394 -6.604 27 HA2 GLY 5 HA2 GLY 5 -0.431 0.414 -7.866 28 HA3 GLY 5 HA3 GLY 5 -1.824 1.454 -7.511 29 H ILE 6 H ILE 6 0.342 2.569 -6.715 30 HA ILE 6 HA ILE 6 1.056 1.736 -3.974 31 HB ILE 6 HB ILE 6 2.072 4.049 -5.685 32 HG12 ILE 6 HG12 ILE 6 2.792 1.938 -6.600 33 HG13 ILE 6 HG13 ILE 6 4.172 2.753 -5.853 34 HG21 ILE 6 HG21 ILE 6 3.968 4.071 -3.928 35 HG22 ILE 6 HG22 ILE 6 2.412 4.817 -3.490 36 HG23 ILE 6 HG23 ILE 6 2.824 3.195 -2.882 37 HD11 ILE 6 HD11 ILE 6 4.247 0.354 -5.410 38 HD12 ILE 6 HD12 ILE 6 2.619 0.411 -4.692 39 HD13 ILE 6 HD13 ILE 6 3.975 1.242 -3.891 40 H VAL 7 H VAL 7 0.762 2.965 -2.142 41 HA VAL 7 HA VAL 7 -1.063 5.292 -2.372 42 HB VAL 7 HB VAL 7 -2.319 4.455 -0.330 43 HG11 VAL 7 HG11 VAL 7 -3.252 4.476 -2.610 44 HG12 VAL 7 HG12 VAL 7 -3.874 3.122 -1.636 45 HG13 VAL 7 HG13 VAL 7 -2.625 2.830 -2.869 46 HG21 VAL 7 HG21 VAL 7 -0.614 2.613 0.183 47 HG22 VAL 7 HG22 VAL 7 -2.335 2.168 0.279 48 HG23 VAL 7 HG23 VAL 7 -1.372 1.695 -1.141 49 H ASP 8 H ASP 8 -0.788 6.885 -0.941 50 HA ASP 8 HA ASP 8 1.570 6.659 0.857 51 HB2 ASP 8 HB3 ASP 8 0.001 9.034 -0.213 52 HB3 ASP 8 HB2 ASP 8 1.275 9.175 1.014 53 H ALA 9 H ALA 9 -1.363 5.693 1.147 54 HA ALA 9 HA ALA 9 -1.709 6.650 3.940 55 HB1 ALA 9 HB1 ALA 9 -3.196 7.892 2.228 56 HB2 ALA 9 HB2 ALA 9 -4.089 6.357 2.098 57 HB3 ALA 9 HB3 ALA 9 -3.982 7.194 3.665 58 H CYS 10 H CYS 10 -4.201 5.266 4.317 59 HA CYS 10 HA CYS 10 -3.842 2.437 3.685 60 HB2 CYS 10 HB3 CYS 10 -3.091 3.536 6.375 61 HB3 CYS 10 HB2 CYS 10 -3.969 1.999 6.310 62 H SER 11 H SER 11 -5.395 4.968 5.630 63 HA SER 11 HA SER 11 -7.869 3.454 6.000 64 HB2 SER 11 HB3 SER 11 -8.706 5.618 6.953 65 HB3 SER 11 HB2 SER 11 -7.229 5.006 7.728 66 HG SER 11 HG SER 11 -7.110 7.259 7.248 67 H GLU 12 H GLU 12 -6.489 5.427 3.560 68 HA GLU 12 HA GLU 12 -9.058 6.235 2.364 69 HB2 GLU 12 HB2 GLU 12 -6.165 6.604 1.553 70 HB3 GLU 12 HB3 GLU 12 -7.516 7.087 0.514 71 HG2 GLU 12 HG2 GLU 12 -8.321 8.604 2.276 72 HG3 GLU 12 HG3 GLU 12 -6.964 8.121 3.312 73 H CYS 13 H CYS 13 -6.583 3.753 2.018 74 HA CYS 13 HA CYS 13 -7.578 2.780 -0.559 75 HB2 CYS 13 HB2 CYS 13 -5.218 2.517 0.046 76 HB3 CYS 13 HB3 CYS 13 -5.666 1.533 1.450 77 H CYS 14 H CYS 14 -8.389 0.581 -0.868 78 HA CYS 14 HA CYS 14 -10.512 0.001 1.088 79 HB2 CYS 14 HB2 CYS 14 -9.891 -0.953 -1.712 80 HB3 CYS 14 HB3 CYS 14 -11.182 -1.674 -0.735 81 H GLU 15 H GLU 15 -7.653 -0.596 1.698 82 HA GLU 15 HA GLU 15 -7.864 -3.553 2.074 83 HB2 GLU 15 HB3 GLU 15 -5.570 -1.734 1.469 84 HB3 GLU 15 HB2 GLU 15 -5.264 -3.103 2.551 85 HG2 GLU 15 HG2 GLU 15 -6.673 -3.559 -0.058 86 HG3 GLU 15 HG3 GLU 15 -4.912 -3.350 -0.033 87 HA PRO 16 HA PRO 16 -8.219 -1.857 6.347 88 HB2 PRO 16 HB2 PRO 16 -9.902 -4.194 6.937 89 HB3 PRO 16 HB3 PRO 16 -10.342 -2.463 6.949 90 HG2 PRO 16 HG2 PRO 16 -11.292 -4.244 5.119 91 HG3 PRO 16 HG3 PRO 16 -11.084 -2.500 4.794 92 HD2 PRO 16 HD3 PRO 16 -9.305 -4.808 4.029 93 HD3 PRO 16 HD2 PRO 16 -9.794 -3.382 3.060 94 H ASP 17 H ASP 17 -6.753 -2.287 7.869 95 HA ASP 17 HA ASP 17 -5.121 -3.322 9.112 96 HB2 ASP 17 HB2 ASP 17 -7.074 -5.629 8.883 97 HB3 ASP 17 HB3 ASP 17 -5.625 -5.679 9.905 98 H LYS 18 H LYS 18 -4.924 -3.444 6.124 99 HA LYS 18 HA LYS 18 -2.817 -5.545 6.016 100 HB2 LYS 18 HB3 LYS 18 -5.021 -5.089 3.985 101 HB3 LYS 18 HB2 LYS 18 -3.508 -5.918 3.586 102 HG2 LYS 18 HG2 LYS 18 -3.972 -7.615 5.300 103 HG3 LYS 18 HG3 LYS 18 -5.492 -6.792 5.707 104 HD2 LYS 18 HD2 LYS 18 -6.306 -7.162 3.413 105 HD3 LYS 18 HD3 LYS 18 -4.785 -7.981 3.001 106 HE2 LYS 18 HE3 LYS 18 -5.252 -9.692 4.718 107 HE3 LYS 18 HE2 LYS 18 -6.776 -8.870 5.113 108 HZ1 LYS 18 HZ1 LYS 18 -7.120 -10.709 3.622 109 HZ2 LYS 18 HZ2 LYS 18 -7.517 -9.294 2.875 110 HZ3 LYS 18 HZ3 LYS 18 -6.102 -10.055 2.501 111 H CYS 19 H CYS 19 -1.379 -3.831 6.431 112 HA CYS 19 HA CYS 19 -0.784 -2.214 3.995 113 HB2 CYS 19 HB2 CYS 19 -0.863 -1.290 6.874 114 HB3 CYS 19 HB3 CYS 19 0.054 -0.426 5.630 115 H ILE 20 H ILE 20 1.206 -2.417 3.278 116 HA ILE 20 HA ILE 20 3.316 -3.337 5.174 117 HB ILE 20 HB ILE 20 4.373 -4.558 3.190 118 HG12 ILE 20 HG13 ILE 20 2.326 -5.487 1.704 119 HG13 ILE 20 HG12 ILE 20 1.736 -3.842 1.997 120 HG21 ILE 20 HG21 ILE 20 3.311 -5.671 5.118 121 HG22 ILE 20 HG22 ILE 20 3.105 -6.591 3.608 122 HG23 ILE 20 HG23 ILE 20 1.751 -5.639 4.262 123 HD11 ILE 20 HD11 ILE 20 2.979 -3.974 -0.105 124 HD12 ILE 20 HD12 ILE 20 4.411 -4.566 0.770 125 HD13 ILE 20 HD13 ILE 20 3.808 -2.917 1.063 126 H ILE 21 H ILE 21 5.522 -2.816 4.538 127 HA ILE 21 HA ILE 21 5.581 -0.130 3.277 128 HB ILE 21 HB ILE 21 7.900 -1.452 4.737 129 HG12 ILE 21 HG12 ILE 21 6.984 0.274 6.589 130 HG13 ILE 21 HG13 ILE 21 5.438 -0.191 5.859 131 HG21 ILE 21 HG21 ILE 21 8.397 0.546 3.362 132 HG22 ILE 21 HG22 ILE 21 7.188 1.469 4.287 133 HG23 ILE 21 HG23 ILE 21 8.646 0.848 5.099 134 HD11 ILE 21 HD11 ILE 21 5.959 -1.589 7.797 135 HD12 ILE 21 HD12 ILE 21 7.494 -2.082 7.043 136 HD13 ILE 21 HD13 ILE 21 5.946 -2.559 6.305 137 H MET 22 H MET 22 5.715 -0.264 1.166 138 HA MET 22 HA MET 22 6.347 -0.787 -0.963 139 HB2 MET 22 HB3 MET 22 8.703 -0.562 -1.495 140 HB3 MET 22 HB2 MET 22 8.206 0.635 -0.294 141 HG2 MET 22 HG2 MET 22 10.303 -0.030 0.446 142 HG3 MET 22 HG3 MET 22 9.197 -0.973 1.462 143 HE1 MET 22 HE1 MET 22 12.239 -3.416 0.956 144 HE2 MET 22 HE2 MET 22 12.302 -1.645 1.125 145 HE3 MET 22 HE3 MET 22 11.190 -2.597 2.137 146 H LEU 23 H LEU 23 7.197 -2.259 -2.556 147 HA LEU 23 HA LEU 23 8.103 -4.889 -1.620 148 HB2 LEU 23 HB2 LEU 23 6.020 -5.730 -1.520 149 HB3 LEU 23 HB3 LEU 23 5.320 -4.432 -2.494 150 HG LEU 23 HG LEU 23 6.624 -5.774 -4.439 151 HD11 LEU 23 HD11 LEU 23 7.499 -7.473 -2.882 152 HD12 LEU 23 HD12 LEU 23 5.833 -7.914 -2.437 153 HD13 LEU 23 HD13 LEU 23 6.412 -8.185 -4.098 154 HD21 LEU 23 HD21 LEU 23 4.236 -5.170 -4.395 155 HD22 LEU 23 HD22 LEU 23 3.911 -6.557 -3.328 156 HD23 LEU 23 HD23 LEU 23 4.490 -6.829 -4.989 157 HA PRO 24 HA PRO 24 8.855 -4.754 -6.238 158 HB2 PRO 24 HB2 PRO 24 7.442 -2.913 -7.858 159 HB3 PRO 24 HB3 PRO 24 6.995 -4.615 -7.560 160 HG2 PRO 24 HG2 PRO 24 5.592 -2.288 -6.727 161 HG3 PRO 24 HG3 PRO 24 5.245 -3.984 -6.297 162 HD2 PRO 24 HD3 PRO 24 6.696 -1.885 -4.748 163 HD3 PRO 24 HD2 PRO 24 5.730 -3.274 -4.161 164 H THR 25 H THR 25 9.487 -2.428 -4.294 165 HA THR 25 HA THR 25 11.429 -1.075 -6.067 166 HB THR 25 HB THR 25 10.836 1.167 -4.985 167 HG1 THR 25 HG1 THR 25 9.193 1.211 -3.671 168 HG21 THR 25 HG21 THR 25 9.900 -0.047 -7.315 169 HG22 THR 25 HG22 THR 25 9.822 1.686 -6.917 170 HG23 THR 25 HG23 THR 25 8.436 0.628 -6.560 171 H TRP 26 H TRP 26 12.983 0.302 -4.790 172 HA TRP 26 HA TRP 26 13.813 -1.240 -2.435 173 HB2 TRP 26 HB2 TRP 26 15.772 0.549 -2.574 174 HB3 TRP 26 HB3 TRP 26 15.712 -0.877 -3.620 175 HD1 TRP 26 HD1 TRP 26 14.369 -0.273 -6.129 176 HE1 TRP 26 HE1 TRP 26 14.745 1.759 -7.653 177 HE3 TRP 26 HE3 TRP 26 16.618 2.832 -2.735 178 HZ2 TRP 26 HZ2 TRP 26 15.922 4.303 -7.449 179 HZ3 TRP 26 HZ3 TRP 26 17.370 5.052 -3.494 180 HH2 TRP 26 HH2 TRP 26 17.024 5.773 -5.820 181 HA PRO 27 HA PRO 27 13.341 2.996 -0.175 182 HB2 PRO 27 HB2 PRO 27 11.438 4.655 -1.718 183 HB3 PRO 27 HB3 PRO 27 13.080 5.061 -1.144 184 HG2 PRO 27 HG3 PRO 27 12.504 4.714 -3.754 185 HG3 PRO 27 HG2 PRO 27 14.088 4.274 -3.056 186 HD2 PRO 27 HD2 PRO 27 11.721 2.498 -3.684 187 HD3 PRO 27 HD3 PRO 27 13.459 2.249 -4.045 188 HA PRO 28 HA PRO 28 9.507 1.867 1.825 189 HB2 PRO 28 HB3 PRO 28 9.077 4.641 2.843 190 HB3 PRO 28 HB2 PRO 28 9.332 3.125 3.754 191 HG2 PRO 28 HG2 PRO 28 11.226 5.008 3.612 192 HG3 PRO 28 HG3 PRO 28 11.633 3.268 3.591 193 HD2 PRO 28 HD3 PRO 28 11.476 5.216 1.296 194 HD3 PRO 28 HD2 PRO 28 12.713 3.966 1.638 195 H ARG 29 H ARG 29 7.597 1.486 0.951 196 HA ARG 29 HA ARG 29 5.913 3.708 -0.046 197 HB2 ARG 29 HB2 ARG 29 6.798 1.351 -1.743 198 HB3 ARG 29 HB3 ARG 29 5.367 2.324 -2.123 199 HG2 ARG 29 HG2 ARG 29 6.818 4.337 -2.267 200 HG3 ARG 29 HG3 ARG 29 8.235 3.308 -1.971 201 HD2 ARG 29 HD2 ARG 29 7.720 2.016 -4.001 202 HD3 ARG 29 HD3 ARG 29 6.299 3.038 -4.296 203 HE ARG 29 HE ARG 29 8.694 4.624 -4.058 204 HH11 ARG 29 HH11 ARG 29 6.945 2.525 -6.318 205 HH12 ARG 29 HH12 ARG 29 7.642 3.289 -7.730 206 HH21 ARG 29 HH21 ARG 29 9.570 5.581 -5.904 207 HH22 ARG 29 HH22 ARG 29 9.119 5.010 -7.495 208 H TYR 30 H TYR 30 3.962 1.976 -1.262 209 HA TYR 30 HA TYR 30 3.108 0.027 0.777 210 HB2 TYR 30 HB2 TYR 30 1.526 2.561 0.212 211 HB3 TYR 30 HB3 TYR 30 0.851 1.131 1.007 212 HD1 TYR 30 HD1 TYR 30 1.654 0.500 3.286 213 HD2 TYR 30 HD2 TYR 30 2.920 4.107 1.405 214 HE1 TYR 30 HE1 TYR 30 2.399 1.369 5.457 215 HE2 TYR 30 HE2 TYR 30 3.672 4.975 3.573 216 HH TYR 30 HH TYR 30 2.754 3.754 6.463 217 H VAL 31 H VAL 31 1.585 -1.431 -0.007 218 HA VAL 31 HA VAL 31 0.653 -0.983 -2.808 219 HB VAL 31 HB VAL 31 1.558 -3.721 -1.848 220 HG11 VAL 31 HG11 VAL 31 -0.017 -3.636 -3.753 221 HG12 VAL 31 HG12 VAL 31 1.131 -2.605 -4.641 222 HG13 VAL 31 HG13 VAL 31 1.575 -4.277 -4.223 223 HG21 VAL 31 HG21 VAL 31 3.516 -2.212 -1.814 224 HG22 VAL 31 HG22 VAL 31 3.637 -3.447 -3.091 225 HG23 VAL 31 HG23 VAL 31 3.193 -1.775 -3.509 226 H CYS 32 H CYS 32 -1.414 -1.414 -3.172 227 HA CYS 32 HA CYS 32 -3.024 -2.463 -0.910 228 HB2 CYS 32 HB2 CYS 32 -3.679 -0.883 -3.402 229 HB3 CYS 32 HB3 CYS 32 -4.943 -1.649 -2.426 230 H SER 33 H SER 33 -3.826 -4.442 -0.897 231 HA SER 33 HA SER 33 -3.782 -6.001 -3.448 232 HB2 SER 33 HB2 SER 33 -3.504 -6.862 -0.557 233 HB3 SER 33 HB3 SER 33 -3.709 -7.998 -1.908 234 HG SER 33 HG SER 33 -1.492 -7.635 -1.380 235 H VAL 34 H VAL 34 -5.890 -4.222 -2.185 236 HA VAL 34 HA VAL 34 -8.125 -4.115 -1.793 237 HB VAL 34 HB VAL 34 -8.021 -4.630 -4.233 238 HG11 VAL 34 HG11 VAL 34 -9.150 -6.885 -4.866 239 HG12 VAL 34 HG12 VAL 34 -8.492 -7.446 -3.310 240 HG13 VAL 34 HG13 VAL 34 -7.396 -6.826 -4.568 241 HG21 VAL 34 HG21 VAL 34 -10.080 -3.883 -3.099 242 HG22 VAL 34 HG22 VAL 34 -10.555 -5.585 -2.880 243 HG23 VAL 34 HG23 VAL 34 -10.402 -4.907 -4.519 Start of MODEL 15 1 H1 CYS 1 H1 CYS 1 -12.234 1.172 -5.459 2 H2 CYS 1 H2 CYS 1 -11.279 0.685 -4.205 3 H3 CYS 1 H3 CYS 1 -12.703 1.462 -3.904 4 HA CYS 1 HA CYS 1 -11.767 3.382 -5.207 5 HB2 CYS 1 HB3 CYS 1 -10.620 4.263 -3.194 6 HB3 CYS 1 HB2 CYS 1 -12.191 3.528 -2.840 7 H VAL 2 H VAL 2 -9.156 1.614 -3.459 8 HA VAL 2 HA VAL 2 -7.473 1.828 -5.906 9 HB VAL 2 HB VAL 2 -6.341 2.349 -3.126 10 HG11 VAL 2 HG11 VAL 2 -5.264 2.327 -5.914 11 HG12 VAL 2 HG12 VAL 2 -4.605 3.527 -4.776 12 HG13 VAL 2 HG13 VAL 2 -4.516 1.791 -4.390 13 HG21 VAL 2 HG21 VAL 2 -7.934 4.158 -3.676 14 HG22 VAL 2 HG22 VAL 2 -7.065 4.443 -5.203 15 HG23 VAL 2 HG23 VAL 2 -6.248 4.730 -3.648 16 H SER 3 H SER 3 -8.007 -0.323 -6.274 17 HA SER 3 HA SER 3 -7.410 -2.369 -4.267 18 HB2 SER 3 HB2 SER 3 -8.061 -3.944 -6.103 19 HB3 SER 3 HB3 SER 3 -9.304 -2.743 -5.693 20 HG SER 3 HG SER 3 -8.994 -2.960 -7.970 21 H SER 4 H SER 4 -5.881 -1.111 -7.225 22 HA SER 4 HA SER 4 -3.490 -2.768 -6.554 23 HB2 SER 4 HB3 SER 4 -3.085 -3.038 -9.017 24 HB3 SER 4 HB2 SER 4 -4.516 -3.900 -8.410 25 HG SER 4 HG SER 4 -4.936 -2.746 -10.363 26 H GLY 5 H GLY 5 -1.595 -1.757 -6.564 27 HA2 GLY 5 HA2 GLY 5 -0.212 -0.054 -7.826 28 HA3 GLY 5 HA3 GLY 5 -1.568 1.060 -7.572 29 H ILE 6 H ILE 6 0.429 2.257 -6.720 30 HA ILE 6 HA ILE 6 1.116 1.484 -3.944 31 HB ILE 6 HB ILE 6 2.198 3.719 -5.714 32 HG12 ILE 6 HG12 ILE 6 2.927 1.573 -6.529 33 HG13 ILE 6 HG13 ILE 6 4.292 2.397 -5.766 34 HG21 ILE 6 HG21 ILE 6 4.042 3.807 -3.916 35 HG22 ILE 6 HG22 ILE 6 2.878 2.966 -2.865 36 HG23 ILE 6 HG23 ILE 6 2.477 4.565 -3.536 37 HD11 ILE 6 HD11 ILE 6 4.291 -0.003 -5.252 38 HD12 ILE 6 HD12 ILE 6 2.665 0.136 -4.544 39 HD13 ILE 6 HD13 ILE 6 4.044 0.957 -3.773 40 H VAL 7 H VAL 7 0.702 2.701 -2.166 41 HA VAL 7 HA VAL 7 -1.099 5.041 -2.524 42 HB VAL 7 HB VAL 7 -2.339 4.296 -0.436 43 HG11 VAL 7 HG11 VAL 7 -3.125 4.117 -2.854 44 HG12 VAL 7 HG12 VAL 7 -2.723 2.387 -2.741 45 HG13 VAL 7 HG13 VAL 7 -3.948 3.089 -1.656 46 HG21 VAL 7 HG21 VAL 7 -0.609 2.505 0.169 47 HG22 VAL 7 HG22 VAL 7 -1.360 1.508 -1.100 48 HG23 VAL 7 HG23 VAL 7 -2.324 2.046 0.297 49 H ASP 8 H ASP 8 -0.846 6.712 -1.168 50 HA ASP 8 HA ASP 8 1.547 6.632 0.588 51 HB2 ASP 8 HB2 ASP 8 -0.157 8.895 -0.507 52 HB3 ASP 8 HB3 ASP 8 1.133 9.144 0.685 53 H ALA 9 H ALA 9 -1.353 5.576 0.993 54 HA ALA 9 HA ALA 9 -1.637 6.592 3.773 55 HB1 ALA 9 HB1 ALA 9 -3.234 7.709 2.070 56 HB2 ALA 9 HB2 ALA 9 -4.058 6.133 2.021 57 HB3 ALA 9 HB3 ALA 9 -3.939 7.027 3.555 58 H CYS 10 H CYS 10 -4.032 5.107 4.299 59 HA CYS 10 HA CYS 10 -3.562 2.279 3.717 60 HB2 CYS 10 HB3 CYS 10 -1.908 2.678 5.525 61 HB3 CYS 10 HB2 CYS 10 -3.203 3.307 6.555 62 H SER 11 H SER 11 -5.176 4.809 5.595 63 HA SER 11 HA SER 11 -7.582 3.173 6.034 64 HB2 SER 11 HB2 SER 11 -6.997 6.091 6.659 65 HB3 SER 11 HB3 SER 11 -8.443 5.193 7.172 66 HG SER 11 HG SER 11 -6.807 5.250 8.800 67 H GLU 12 H GLU 12 -6.335 5.368 3.682 68 HA GLU 12 HA GLU 12 -8.950 6.175 2.617 69 HB2 GLU 12 HB2 GLU 12 -6.100 6.586 1.685 70 HB3 GLU 12 HB3 GLU 12 -7.501 7.114 0.738 71 HG2 GLU 12 HG2 GLU 12 -8.217 8.546 2.608 72 HG3 GLU 12 HG3 GLU 12 -6.812 8.017 3.552 73 H CYS 13 H CYS 13 -6.498 3.719 2.035 74 HA CYS 13 HA CYS 13 -7.545 2.860 -0.548 75 HB2 CYS 13 HB2 CYS 13 -5.198 2.495 0.097 76 HB3 CYS 13 HB3 CYS 13 -5.713 1.450 1.431 77 H CYS 14 H CYS 14 -8.405 0.650 -0.914 78 HA CYS 14 HA CYS 14 -10.607 0.144 0.968 79 HB2 CYS 14 HB2 CYS 14 -9.905 -0.906 -1.779 80 HB3 CYS 14 HB3 CYS 14 -11.274 -1.527 -0.842 81 H GLU 15 H GLU 15 -7.793 -0.514 1.693 82 HA GLU 15 HA GLU 15 -8.086 -3.455 2.127 83 HB2 GLU 15 HB2 GLU 15 -5.720 -1.671 1.671 84 HB3 GLU 15 HB3 GLU 15 -5.513 -3.092 2.709 85 HG2 GLU 15 HG3 GLU 15 -6.792 -3.390 0.005 86 HG3 GLU 15 HG2 GLU 15 -5.031 -3.228 0.137 87 HA PRO 16 HA PRO 16 -8.680 -1.621 6.323 88 HB2 PRO 16 HB2 PRO 16 -10.382 -3.966 6.868 89 HB3 PRO 16 HB3 PRO 16 -10.820 -2.235 6.856 90 HG2 PRO 16 HG2 PRO 16 -11.699 -4.002 4.992 91 HG3 PRO 16 HG3 PRO 16 -11.434 -2.268 4.657 92 HD2 PRO 16 HD3 PRO 16 -9.664 -4.622 4.021 93 HD3 PRO 16 HD2 PRO 16 -10.077 -3.206 3.004 94 H ASP 17 H ASP 17 -7.137 -1.957 7.778 95 HA ASP 17 HA ASP 17 -5.543 -2.929 9.114 96 HB2 ASP 17 HB3 ASP 17 -7.567 -5.189 9.110 97 HB3 ASP 17 HB2 ASP 17 -6.112 -5.178 10.125 98 H LYS 18 H LYS 18 -5.476 -3.423 6.103 99 HA LYS 18 HA LYS 18 -3.319 -5.464 6.205 100 HB2 LYS 18 HB2 LYS 18 -5.667 -5.462 4.289 101 HB3 LYS 18 HB3 LYS 18 -4.153 -6.310 3.938 102 HG2 LYS 18 HG3 LYS 18 -5.600 -6.852 6.521 103 HG3 LYS 18 HG2 LYS 18 -6.183 -7.582 5.012 104 HD2 LYS 18 HD2 LYS 18 -3.965 -8.583 4.630 105 HD3 LYS 18 HD3 LYS 18 -3.370 -7.851 6.134 106 HE2 LYS 18 HE2 LYS 18 -3.902 -10.096 6.674 107 HE3 LYS 18 HE3 LYS 18 -5.228 -9.116 7.332 108 HZ1 LYS 18 HZ1 LYS 18 -6.039 -11.058 6.192 109 HZ2 LYS 18 HZ2 LYS 18 -6.527 -9.698 5.396 110 HZ3 LYS 18 HZ3 LYS 18 -5.293 -10.610 4.791 111 H CYS 19 H CYS 19 -1.906 -3.706 6.169 112 HA CYS 19 HA CYS 19 -1.623 -2.469 3.466 113 HB2 CYS 19 HB2 CYS 19 -1.292 -1.162 6.176 114 HB3 CYS 19 HB3 CYS 19 -0.623 -0.473 4.688 115 H ILE 20 H ILE 20 0.198 -2.998 2.518 116 HA ILE 20 HA ILE 20 2.442 -4.033 4.179 117 HB ILE 20 HB ILE 20 2.326 -4.180 1.144 118 HG12 ILE 20 HG12 ILE 20 1.566 -6.674 1.824 119 HG13 ILE 20 HG13 ILE 20 0.769 -5.778 3.128 120 HG21 ILE 20 HG21 ILE 20 4.465 -4.709 2.277 121 HG22 ILE 20 HG22 ILE 20 3.639 -5.969 3.224 122 HG23 ILE 20 HG23 ILE 20 3.773 -6.129 1.456 123 HD11 ILE 20 HD11 ILE 20 -0.741 -6.117 1.234 124 HD12 ILE 20 HD12 ILE 20 0.411 -5.297 0.154 125 HD13 ILE 20 HD13 ILE 20 -0.390 -4.387 1.457 126 H ILE 21 H ILE 21 4.619 -3.372 3.732 127 HA ILE 21 HA ILE 21 4.736 -0.529 2.835 128 HB ILE 21 HB ILE 21 6.867 -1.912 4.509 129 HG12 ILE 21 HG13 ILE 21 5.613 -0.381 6.348 130 HG13 ILE 21 HG12 ILE 21 4.219 -0.842 5.357 131 HG21 ILE 21 HG21 ILE 21 7.467 0.215 3.394 132 HG22 ILE 21 HG22 ILE 21 6.102 1.014 4.209 133 HG23 ILE 21 HG23 ILE 21 7.455 0.368 5.167 134 HD11 ILE 21 HD11 ILE 21 4.519 -2.382 7.234 135 HD12 ILE 21 HD12 ILE 21 4.757 -3.214 5.678 136 HD13 ILE 21 HD13 ILE 21 6.164 -2.761 6.670 137 H MET 22 H MET 22 5.297 -0.363 0.823 138 HA MET 22 HA MET 22 6.263 -0.668 -1.223 139 HB2 MET 22 HB2 MET 22 8.702 -0.512 -1.308 140 HB3 MET 22 HB3 MET 22 7.990 0.644 -0.177 141 HG2 MET 22 HG2 MET 22 9.914 -0.119 0.907 142 HG3 MET 22 HG3 MET 22 8.608 -1.050 1.665 143 HE1 MET 22 HE1 MET 22 11.608 -3.593 1.644 144 HE2 MET 22 HE2 MET 22 10.379 -2.772 2.638 145 HE3 MET 22 HE3 MET 22 11.694 -1.832 1.892 146 H LEU 23 H LEU 23 6.729 -2.032 -2.846 147 HA LEU 23 HA LEU 23 7.789 -4.713 -2.172 148 HB2 LEU 23 HB2 LEU 23 5.667 -5.498 -2.171 149 HB3 LEU 23 HB3 LEU 23 5.039 -4.169 -3.151 150 HG LEU 23 HG LEU 23 6.442 -5.438 -5.056 151 HD11 LEU 23 HD11 LEU 23 7.285 -7.171 -3.519 152 HD12 LEU 23 HD12 LEU 23 5.611 -7.664 -3.166 153 HD13 LEU 23 HD13 LEU 23 6.271 -7.864 -4.807 154 HD21 LEU 23 HD21 LEU 23 4.040 -4.888 -5.101 155 HD22 LEU 23 HD22 LEU 23 3.700 -6.318 -4.098 156 HD23 LEU 23 HD23 LEU 23 4.359 -6.518 -5.739 157 HA PRO 24 HA PRO 24 8.628 -4.136 -6.738 158 HB2 PRO 24 HB2 PRO 24 7.265 -2.110 -8.185 159 HB3 PRO 24 HB3 PRO 24 6.815 -3.834 -8.095 160 HG2 PRO 24 HG3 PRO 24 5.377 -1.626 -7.052 161 HG3 PRO 24 HG2 PRO 24 5.037 -3.358 -6.795 162 HD2 PRO 24 HD3 PRO 24 6.456 -1.406 -5.031 163 HD3 PRO 24 HD2 PRO 24 5.472 -2.837 -4.589 164 H THR 25 H THR 25 9.252 -2.030 -4.560 165 HA THR 25 HA THR 25 11.244 -0.532 -6.151 166 HB THR 25 HB THR 25 10.656 1.597 -4.860 167 HG1 THR 25 HG1 THR 25 9.017 1.495 -3.549 168 HG21 THR 25 HG21 THR 25 9.786 0.663 -7.323 169 HG22 THR 25 HG22 THR 25 8.284 1.211 -6.541 170 HG23 THR 25 HG23 THR 25 9.650 2.336 -6.731 171 H TRP 26 H TRP 26 12.805 0.662 -4.729 172 HA TRP 26 HA TRP 26 13.535 -1.103 -2.496 173 HB2 TRP 26 HB2 TRP 26 15.577 0.570 -2.461 174 HB3 TRP 26 HB3 TRP 26 15.451 -0.720 -3.666 175 HD1 TRP 26 HD1 TRP 26 14.193 0.222 -6.097 176 HE1 TRP 26 HE1 TRP 26 14.665 2.400 -7.373 177 HE3 TRP 26 HE3 TRP 26 16.494 2.834 -2.342 178 HZ2 TRP 26 HZ2 TRP 26 15.929 4.857 -6.864 179 HZ3 TRP 26 HZ3 TRP 26 17.333 5.097 -2.831 180 HH2 TRP 26 HH2 TRP 26 17.050 6.094 -5.062 181 HA PRO 27 HA PRO 27 13.196 2.992 0.053 182 HB2 PRO 27 HB3 PRO 27 11.289 4.751 -1.377 183 HB3 PRO 27 HB2 PRO 27 12.925 5.128 -0.765 184 HG2 PRO 27 HG2 PRO 27 12.386 4.962 -3.396 185 HG3 PRO 27 HG3 PRO 27 13.949 4.430 -2.712 186 HD2 PRO 27 HD3 PRO 27 11.538 2.763 -3.449 187 HD3 PRO 27 HD2 PRO 27 13.260 2.495 -3.866 188 HA PRO 28 HA PRO 28 9.365 1.819 2.031 189 HB2 PRO 28 HB2 PRO 28 8.951 4.534 3.201 190 HB3 PRO 28 HB3 PRO 28 9.234 2.970 4.019 191 HG2 PRO 28 HG2 PRO 28 11.116 4.871 3.944 192 HG3 PRO 28 HG3 PRO 28 11.524 3.135 3.836 193 HD2 PRO 28 HD2 PRO 28 11.348 5.188 1.632 194 HD3 PRO 28 HD3 PRO 28 12.573 3.911 1.911 195 H ARG 29 H ARG 29 7.475 1.484 1.108 196 HA ARG 29 HA ARG 29 5.765 3.756 0.284 197 HB2 ARG 29 HB2 ARG 29 6.682 1.546 -1.584 198 HB3 ARG 29 HB3 ARG 29 5.218 2.497 -1.882 199 HG2 ARG 29 HG2 ARG 29 6.592 4.558 -1.907 200 HG3 ARG 29 HG3 ARG 29 8.049 3.572 -1.665 201 HD2 ARG 29 HD2 ARG 29 7.605 2.392 -3.774 202 HD3 ARG 29 HD3 ARG 29 6.136 3.359 -4.015 203 HE ARG 29 HE ARG 29 8.467 5.028 -3.669 204 HH11 ARG 29 HH11 ARG 29 6.763 3.041 -6.059 205 HH12 ARG 29 HH12 ARG 29 7.409 3.934 -7.417 206 HH21 ARG 29 HH21 ARG 29 9.279 6.154 -5.446 207 HH22 ARG 29 HH22 ARG 29 8.826 5.688 -7.070 208 H TYR 30 H TYR 30 3.828 2.039 -1.045 209 HA TYR 30 HA TYR 30 3.031 0.039 0.984 210 HB2 TYR 30 HB3 TYR 30 1.387 2.517 0.363 211 HB3 TYR 30 HB2 TYR 30 0.725 1.061 1.123 212 HD1 TYR 30 HD1 TYR 30 1.432 0.417 3.410 213 HD2 TYR 30 HD2 TYR 30 2.752 4.057 1.631 214 HE1 TYR 30 HE1 TYR 30 2.101 1.253 5.620 215 HE2 TYR 30 HE2 TYR 30 3.424 4.894 3.838 216 HH TYR 30 HH TYR 30 3.838 3.007 6.475 217 H VAL 31 H VAL 31 1.358 -1.366 0.292 218 HA VAL 31 HA VAL 31 0.671 -1.176 -2.610 219 HB VAL 31 HB VAL 31 1.094 -3.895 -1.392 220 HG11 VAL 31 HG11 VAL 31 0.068 -3.635 -3.624 221 HG12 VAL 31 HG12 VAL 31 1.541 -2.814 -4.193 222 HG13 VAL 31 HG13 VAL 31 1.610 -4.520 -3.690 223 HG21 VAL 31 HG21 VAL 31 3.465 -3.822 -2.390 224 HG22 VAL 31 HG22 VAL 31 3.204 -3.045 -0.810 225 HG23 VAL 31 HG23 VAL 31 3.313 -2.052 -2.283 226 H CYS 32 H CYS 32 -1.355 -1.796 -3.179 227 HA CYS 32 HA CYS 32 -3.181 -2.537 -0.930 228 HB2 CYS 32 HB2 CYS 32 -3.572 -0.833 -3.387 229 HB3 CYS 32 HB3 CYS 32 -4.953 -1.565 -2.554 230 H SER 33 H SER 33 -4.552 -4.241 -1.143 231 HA SER 33 HA SER 33 -4.527 -5.728 -3.732 232 HB2 SER 33 HB2 SER 33 -3.986 -6.852 -0.969 233 HB3 SER 33 HB3 SER 33 -4.379 -7.855 -2.382 234 HG SER 33 HG SER 33 -2.106 -7.620 -2.063 235 H VAL 34 H VAL 34 -6.405 -3.997 -2.072 236 HA VAL 34 HA VAL 34 -8.575 -3.850 -1.423 237 HB VAL 34 HB VAL 34 -8.773 -4.123 -3.894 238 HG11 VAL 34 HG11 VAL 34 -10.061 -6.269 -4.604 239 HG12 VAL 34 HG12 VAL 34 -8.284 -6.295 -4.507 240 HG13 VAL 34 HG13 VAL 34 -9.257 -7.002 -3.196 241 HG21 VAL 34 HG21 VAL 34 -10.657 -3.430 -2.462 242 HG22 VAL 34 HG22 VAL 34 -11.174 -5.130 -2.352 243 HG23 VAL 34 HG23 VAL 34 -11.180 -4.298 -3.925 Start of MODEL 16 1 H1 CYS 1 H1 CYS 1 -10.709 5.899 -3.947 2 H2 CYS 1 H2 CYS 1 -11.834 5.005 -4.755 3 H3 CYS 1 H3 CYS 1 -12.102 5.448 -3.189 4 HA CYS 1 HA CYS 1 -10.299 4.103 -2.414 5 HB2 CYS 1 HB3 CYS 1 -12.742 3.249 -2.993 6 HB3 CYS 1 HB2 CYS 1 -11.882 2.305 -4.220 7 H VAL 2 H VAL 2 -8.773 2.379 -2.902 8 HA VAL 2 HA VAL 2 -7.763 2.424 -5.708 9 HB VAL 2 HB VAL 2 -5.906 2.486 -3.293 10 HG11 VAL 2 HG11 VAL 2 -4.997 1.506 -5.375 11 HG12 VAL 2 HG12 VAL 2 -5.376 3.017 -6.237 12 HG13 VAL 2 HG13 VAL 2 -4.172 3.018 -4.926 13 HG21 VAL 2 HG21 VAL 2 -7.163 4.613 -3.390 14 HG22 VAL 2 HG22 VAL 2 -6.641 4.831 -5.077 15 HG23 VAL 2 HG23 VAL 2 -5.438 4.832 -3.766 16 H SER 3 H SER 3 -8.779 0.463 -6.026 17 HA SER 3 HA SER 3 -8.625 -1.842 -4.403 18 HB2 SER 3 HB2 SER 3 -9.164 -3.088 -6.505 19 HB3 SER 3 HB3 SER 3 -10.226 -1.700 -6.188 20 HG SER 3 HG SER 3 -9.501 -1.783 -8.378 21 H SER 4 H SER 4 -6.466 -0.858 -7.103 22 HA SER 4 HA SER 4 -4.403 -2.692 -5.989 23 HB2 SER 4 HB2 SER 4 -5.148 -2.549 -8.933 24 HB3 SER 4 HB3 SER 4 -3.811 -3.490 -8.237 25 HG SER 4 HG SER 4 -5.710 -4.757 -8.572 26 H GLY 5 H GLY 5 -2.257 -2.137 -6.425 27 HA2 GLY 5 HA3 GLY 5 -0.703 -0.674 -7.703 28 HA3 GLY 5 HA2 GLY 5 -1.908 0.617 -7.539 29 H ILE 6 H ILE 6 0.135 1.703 -6.752 30 HA ILE 6 HA ILE 6 0.779 1.036 -3.935 31 HB ILE 6 HB ILE 6 2.062 3.042 -5.840 32 HG12 ILE 6 HG13 ILE 6 2.588 0.784 -6.517 33 HG13 ILE 6 HG12 ILE 6 4.017 1.534 -5.796 34 HG21 ILE 6 HG21 ILE 6 3.911 3.068 -4.044 35 HG22 ILE 6 HG22 ILE 6 2.675 2.407 -2.947 36 HG23 ILE 6 HG23 ILE 6 2.425 3.992 -3.717 37 HD11 ILE 6 HD11 ILE 6 3.804 -0.820 -5.130 38 HD12 ILE 6 HD12 ILE 6 2.211 -0.479 -4.413 39 HD13 ILE 6 HD13 ILE 6 3.674 0.263 -3.723 40 H VAL 7 H VAL 7 0.514 2.403 -2.243 41 HA VAL 7 HA VAL 7 -0.971 4.928 -2.704 42 HB VAL 7 HB VAL 7 -2.454 4.365 -0.709 43 HG11 VAL 7 HG11 VAL 7 -3.246 4.419 -3.041 44 HG12 VAL 7 HG12 VAL 7 -4.105 3.205 -2.063 45 HG13 VAL 7 HG13 VAL 7 -2.841 2.693 -3.206 46 HG21 VAL 7 HG21 VAL 7 -1.197 2.401 0.126 47 HG22 VAL 7 HG22 VAL 7 -2.904 2.018 -0.204 48 HG23 VAL 7 HG23 VAL 7 -1.640 1.506 -1.348 49 H ASP 8 H ASP 8 -0.737 6.495 -1.131 50 HA ASP 8 HA ASP 8 1.619 6.109 0.631 51 HB2 ASP 8 HB3 ASP 8 0.065 8.567 -0.252 52 HB3 ASP 8 HB2 ASP 8 1.361 8.615 0.958 53 H ALA 9 H ALA 9 -1.297 5.134 0.973 54 HA ALA 9 HA ALA 9 -1.535 5.919 3.826 55 HB1 ALA 9 HB1 ALA 9 -3.058 7.295 2.215 56 HB2 ALA 9 HB2 ALA 9 -4.013 5.797 2.111 57 HB3 ALA 9 HB3 ALA 9 -3.768 6.589 3.686 58 H CYS 10 H CYS 10 -3.875 4.593 4.440 59 HA CYS 10 HA CYS 10 -3.665 1.795 3.520 60 HB2 CYS 10 HB2 CYS 10 -3.063 2.691 6.347 61 HB3 CYS 10 HB3 CYS 10 -3.649 1.058 5.990 62 H SER 11 H SER 11 -5.152 4.229 5.638 63 HA SER 11 HA SER 11 -7.649 2.717 5.915 64 HB2 SER 11 HB3 SER 11 -8.424 4.785 7.106 65 HB3 SER 11 HB2 SER 11 -6.952 4.062 7.789 66 HG SER 11 HG SER 11 -6.788 6.352 7.549 67 H GLU 12 H GLU 12 -6.274 5.031 3.747 68 HA GLU 12 HA GLU 12 -8.872 5.899 2.652 69 HB2 GLU 12 HB3 GLU 12 -5.992 6.542 1.967 70 HB3 GLU 12 HB2 GLU 12 -7.357 7.092 0.981 71 HG2 GLU 12 HG2 GLU 12 -8.286 8.289 2.905 72 HG3 GLU 12 HG3 GLU 12 -6.936 7.735 3.913 73 H CYS 13 H CYS 13 -6.351 3.545 2.032 74 HA CYS 13 HA CYS 13 -7.153 2.986 -0.723 75 HB2 CYS 13 HB2 CYS 13 -4.849 2.599 0.398 76 HB3 CYS 13 HB3 CYS 13 -5.572 1.124 1.061 77 H CYS 14 H CYS 14 -7.795 0.678 -1.344 78 HA CYS 14 HA CYS 14 -10.297 0.050 -0.025 79 HB2 CYS 14 HB2 CYS 14 -8.767 -1.472 -2.151 80 HB3 CYS 14 HB3 CYS 14 -10.443 -1.777 -1.674 81 H GLU 15 H GLU 15 -7.114 -0.809 0.731 82 HA GLU 15 HA GLU 15 -8.017 -3.306 2.106 83 HB2 GLU 15 HB2 GLU 15 -6.121 -3.254 0.262 84 HB3 GLU 15 HB3 GLU 15 -5.118 -2.679 1.604 85 HG2 GLU 15 HG2 GLU 15 -5.509 -4.683 2.855 86 HG3 GLU 15 HG3 GLU 15 -6.757 -5.225 1.716 87 HA PRO 16 HA PRO 16 -6.917 -0.311 5.474 88 HB2 PRO 16 HB3 PRO 16 -9.491 -0.637 6.722 89 HB3 PRO 16 HB2 PRO 16 -8.903 0.775 5.802 90 HG2 PRO 16 HG2 PRO 16 -10.970 -0.931 5.032 91 HG3 PRO 16 HG3 PRO 16 -10.081 0.186 3.961 92 HD2 PRO 16 HD3 PRO 16 -9.717 -2.768 4.364 93 HD3 PRO 16 HD2 PRO 16 -9.591 -1.799 2.861 94 H ASP 17 H ASP 17 -8.228 -3.545 5.469 95 HA ASP 17 HA ASP 17 -7.803 -3.988 8.347 96 HB2 ASP 17 HB2 ASP 17 -8.706 -5.776 6.077 97 HB3 ASP 17 HB3 ASP 17 -8.444 -6.370 7.727 98 H LYS 18 H LYS 18 -6.246 -4.892 5.269 99 HA LYS 18 HA LYS 18 -3.881 -5.785 6.851 100 HB2 LYS 18 HB3 LYS 18 -5.184 -7.231 4.525 101 HB3 LYS 18 HB2 LYS 18 -3.513 -7.532 5.033 102 HG2 LYS 18 HG3 LYS 18 -4.301 -8.200 7.264 103 HG3 LYS 18 HG2 LYS 18 -5.977 -7.897 6.761 104 HD2 LYS 18 HD2 LYS 18 -5.763 -9.610 5.006 105 HD3 LYS 18 HD3 LYS 18 -4.088 -9.921 5.509 106 HE2 LYS 18 HE2 LYS 18 -5.387 -11.618 6.525 107 HE3 LYS 18 HE3 LYS 18 -5.027 -10.458 7.819 108 HZ1 LYS 18 HZ1 LYS 18 -7.321 -11.138 7.848 109 HZ2 LYS 18 HZ2 LYS 18 -7.550 -10.612 6.302 110 HZ3 LYS 18 HZ3 LYS 18 -7.220 -9.529 7.501 111 H CYS 19 H CYS 19 -3.100 -3.666 6.457 112 HA CYS 19 HA CYS 19 -2.373 -3.051 3.640 113 HB2 CYS 19 HB3 CYS 19 -3.495 -1.316 5.068 114 HB3 CYS 19 HB2 CYS 19 -2.068 -1.329 6.117 115 H ILE 20 H ILE 20 -0.423 -3.436 2.886 116 HA ILE 20 HA ILE 20 1.740 -4.151 4.802 117 HB ILE 20 HB ILE 20 2.000 -4.439 1.798 118 HG12 ILE 20 HG13 ILE 20 1.062 -6.835 3.273 119 HG13 ILE 20 HG12 ILE 20 -0.151 -5.562 3.056 120 HG21 ILE 20 HG21 ILE 20 3.975 -4.801 3.249 121 HG22 ILE 20 HG22 ILE 20 3.084 -6.064 4.131 122 HG23 ILE 20 HG23 ILE 20 3.483 -6.293 2.412 123 HD11 ILE 20 HD11 ILE 20 -0.261 -7.207 1.248 124 HD12 ILE 20 HD12 ILE 20 0.215 -5.608 0.629 125 HD13 ILE 20 HD13 ILE 20 1.440 -6.882 0.837 126 H ILE 21 H ILE 21 3.846 -3.284 4.601 127 HA ILE 21 HA ILE 21 3.833 -0.519 3.486 128 HB ILE 21 HB ILE 21 5.874 -1.582 5.476 129 HG12 ILE 21 HG12 ILE 21 4.306 -0.070 7.058 130 HG13 ILE 21 HG13 ILE 21 3.062 -0.707 5.969 131 HG21 ILE 21 HG21 ILE 21 6.402 0.517 4.274 132 HG22 ILE 21 HG22 ILE 21 4.889 1.231 4.880 133 HG23 ILE 21 HG23 ILE 21 6.180 0.782 6.020 134 HD11 ILE 21 HD11 ILE 21 3.290 -2.100 7.968 135 HD12 ILE 21 HD12 ILE 21 3.772 -3.003 6.512 136 HD13 ILE 21 HD13 ILE 21 5.015 -2.354 7.608 137 H MET 22 H MET 22 4.532 -0.554 1.490 138 HA MET 22 HA MET 22 5.733 -0.963 -0.409 139 HB2 MET 22 HB2 MET 22 8.111 -0.477 -0.314 140 HB3 MET 22 HB3 MET 22 7.176 0.669 0.652 141 HG2 MET 22 HG2 MET 22 9.045 0.273 1.968 142 HG3 MET 22 HG3 MET 22 7.845 -0.828 2.670 143 HE1 MET 22 HE1 MET 22 11.191 -2.847 3.058 144 HE2 MET 22 HE2 MET 22 9.755 -2.202 3.888 145 HE3 MET 22 HE3 MET 22 10.970 -1.088 3.216 146 H LEU 23 H LEU 23 6.330 -2.512 -1.770 147 HA LEU 23 HA LEU 23 7.669 -4.916 -0.656 148 HB2 LEU 23 HB2 LEU 23 5.700 -5.988 -0.684 149 HB3 LEU 23 HB3 LEU 23 4.938 -4.805 -1.753 150 HG LEU 23 HG LEU 23 6.521 -6.052 -3.549 151 HD11 LEU 23 HD11 LEU 23 7.451 -7.599 -1.872 152 HD12 LEU 23 HD12 LEU 23 5.812 -8.204 -1.529 153 HD13 LEU 23 HD13 LEU 23 6.538 -8.460 -3.134 154 HD21 LEU 23 HD21 LEU 23 4.086 -5.706 -3.697 155 HD22 LEU 23 HD22 LEU 23 4.555 -7.344 -4.210 156 HD23 LEU 23 HD23 LEU 23 3.829 -7.088 -2.605 157 HA PRO 24 HA PRO 24 8.768 -4.883 -5.223 158 HB2 PRO 24 HB2 PRO 24 7.329 -3.095 -6.943 159 HB3 PRO 24 HB3 PRO 24 7.098 -4.858 -6.780 160 HG2 PRO 24 HG2 PRO 24 5.262 -2.874 -6.047 161 HG3 PRO 24 HG3 PRO 24 5.219 -4.591 -5.560 162 HD2 PRO 24 HD2 PRO 24 6.212 -2.202 -4.033 163 HD3 PRO 24 HD3 PRO 24 5.374 -3.675 -3.451 164 H THR 25 H THR 25 9.085 -2.516 -3.268 165 HA THR 25 HA THR 25 11.075 -1.045 -4.881 166 HB THR 25 HB THR 25 10.226 1.160 -3.880 167 HG1 THR 25 HG1 THR 25 8.690 0.599 -2.445 168 HG21 THR 25 HG21 THR 25 8.585 1.526 -5.682 169 HG22 THR 25 HG22 THR 25 8.494 -0.230 -5.955 170 HG23 THR 25 HG23 THR 25 10.014 0.642 -6.270 171 H TRP 26 H TRP 26 12.479 0.353 -3.535 172 HA TRP 26 HA TRP 26 13.075 -1.038 -1.014 173 HB2 TRP 26 HB2 TRP 26 15.069 0.697 -1.084 174 HB3 TRP 26 HB3 TRP 26 15.073 -0.774 -2.068 175 HD1 TRP 26 HD1 TRP 26 13.980 -0.270 -4.709 176 HE1 TRP 26 HE1 TRP 26 14.518 1.686 -6.282 177 HE3 TRP 26 HE3 TRP 26 15.952 2.966 -1.266 178 HZ2 TRP 26 HZ2 TRP 26 15.704 4.227 -6.085 179 HZ3 TRP 26 HZ3 TRP 26 16.795 5.143 -2.052 180 HH2 TRP 26 HH2 TRP 26 16.672 5.762 -4.429 181 HA PRO 27 HA PRO 27 12.448 3.390 0.842 182 HB2 PRO 27 HB2 PRO 27 10.618 4.835 -0.996 183 HB3 PRO 27 HB3 PRO 27 12.181 5.363 -0.309 184 HG2 PRO 27 HG2 PRO 27 11.905 4.789 -2.916 185 HG3 PRO 27 HG3 PRO 27 13.405 4.420 -2.015 186 HD2 PRO 27 HD3 PRO 27 11.114 2.578 -2.715 187 HD3 PRO 27 HD2 PRO 27 12.874 2.314 -2.925 188 HA PRO 28 HA PRO 28 8.506 2.407 2.705 189 HB2 PRO 28 HB2 PRO 28 7.888 5.276 3.284 190 HB3 PRO 28 HB3 PRO 28 8.119 3.908 4.410 191 HG2 PRO 28 HG2 PRO 28 9.957 5.828 4.167 192 HG3 PRO 28 HG3 PRO 28 10.415 4.118 4.410 193 HD2 PRO 28 HD3 PRO 28 10.390 5.741 1.869 194 HD3 PRO 28 HD2 PRO 28 11.632 4.599 2.472 195 H ARG 29 H ARG 29 6.792 1.754 1.631 196 HA ARG 29 HA ARG 29 4.981 3.700 0.345 197 HB2 ARG 29 HB2 ARG 29 6.426 1.496 -1.133 198 HB3 ARG 29 HB3 ARG 29 4.814 2.014 -1.654 199 HG2 ARG 29 HG3 ARG 29 5.979 3.461 -2.947 200 HG3 ARG 29 HG2 ARG 29 6.062 4.422 -1.456 201 HD2 ARG 29 HD2 ARG 29 8.227 3.255 -0.922 202 HD3 ARG 29 HD3 ARG 29 8.163 2.522 -2.538 203 HE ARG 29 HE ARG 29 8.297 5.473 -2.050 204 HH11 ARG 29 HH11 ARG 29 9.191 2.613 -3.948 205 HH12 ARG 29 HH12 ARG 29 10.164 3.536 -5.071 206 HH21 ARG 29 HH21 ARG 29 9.560 6.622 -3.520 207 HH22 ARG 29 HH22 ARG 29 10.371 5.793 -4.830 208 H TYR 30 H TYR 30 3.314 1.750 -0.912 209 HA TYR 30 HA TYR 30 2.534 -0.243 1.109 210 HB2 TYR 30 HB3 TYR 30 0.690 2.086 0.435 211 HB3 TYR 30 HB2 TYR 30 0.212 0.623 1.310 212 HD1 TYR 30 HD1 TYR 30 1.182 0.184 3.597 213 HD2 TYR 30 HD2 TYR 30 1.767 3.887 1.572 214 HE1 TYR 30 HE1 TYR 30 1.818 1.244 5.719 215 HE2 TYR 30 HE2 TYR 30 2.402 4.948 3.692 216 HH TYR 30 HH TYR 30 1.776 3.687 6.642 217 H VAL 31 H VAL 31 0.896 -1.705 0.334 218 HA VAL 31 HA VAL 31 0.264 -1.443 -2.570 219 HB VAL 31 HB VAL 31 1.126 -4.095 -1.347 220 HG11 VAL 31 HG11 VAL 31 -0.347 -4.212 -3.332 221 HG12 VAL 31 HG12 VAL 31 1.280 -4.855 -3.659 222 HG13 VAL 31 HG13 VAL 31 0.828 -3.237 -4.246 223 HG21 VAL 31 HG21 VAL 31 3.051 -2.545 -1.347 224 HG22 VAL 31 HG22 VAL 31 3.260 -3.883 -2.501 225 HG23 VAL 31 HG23 VAL 31 2.808 -2.265 -3.088 226 H CYS 32 H CYS 32 -1.667 -2.215 -3.222 227 HA CYS 32 HA CYS 32 -3.427 -3.474 -1.164 228 HB2 CYS 32 HB2 CYS 32 -4.073 -1.217 -3.083 229 HB3 CYS 32 HB3 CYS 32 -5.320 -2.176 -2.270 230 H SER 33 H SER 33 -3.429 -5.520 -1.868 231 HA SER 33 HA SER 33 -3.707 -6.090 -4.766 232 HB2 SER 33 HB2 SER 33 -3.082 -7.815 -2.358 233 HB3 SER 33 HB3 SER 33 -3.315 -8.465 -3.995 234 HG SER 33 HG SER 33 -1.099 -8.038 -3.515 235 H VAL 34 H VAL 34 -5.886 -5.099 -2.910 236 HA VAL 34 HA VAL 34 -7.806 -7.310 -2.847 237 HB VAL 34 HB VAL 34 -9.396 -5.407 -2.100 238 HG11 VAL 34 HG11 VAL 34 -8.414 -7.114 -0.622 239 HG12 VAL 34 HG12 VAL 34 -6.984 -6.079 -0.394 240 HG13 VAL 34 HG13 VAL 34 -8.578 -5.537 0.186 241 HG21 VAL 34 HG21 VAL 34 -8.016 -3.517 -2.896 242 HG22 VAL 34 HG22 VAL 34 -8.343 -3.421 -1.149 243 HG23 VAL 34 HG23 VAL 34 -6.750 -3.963 -1.728 Start of MODEL 17 1 H1 CYS 1 H1 CYS 1 -10.819 5.026 -5.591 2 H2 CYS 1 H2 CYS 1 -11.574 3.782 -6.367 3 H3 CYS 1 H3 CYS 1 -12.245 4.436 -5.009 4 HA CYS 1 HA CYS 1 -10.448 3.668 -3.651 5 HB2 CYS 1 HB2 CYS 1 -12.526 2.235 -4.434 6 HB3 CYS 1 HB3 CYS 1 -11.294 1.279 -5.272 7 H VAL 2 H VAL 2 -8.643 2.084 -3.514 8 HA VAL 2 HA VAL 2 -6.999 2.074 -6.009 9 HB VAL 2 HB VAL 2 -5.879 2.439 -3.195 10 HG11 VAL 2 HG11 VAL 2 -4.336 1.420 -4.838 11 HG12 VAL 2 HG12 VAL 2 -4.575 2.818 -5.913 12 HG13 VAL 2 HG13 VAL 2 -3.799 3.037 -4.325 13 HG21 VAL 2 HG21 VAL 2 -7.225 4.410 -3.840 14 HG22 VAL 2 HG22 VAL 2 -6.263 4.565 -5.329 15 HG23 VAL 2 HG23 VAL 2 -5.488 4.785 -3.742 16 H SER 3 H SER 3 -7.869 -0.007 -6.384 17 HA SER 3 HA SER 3 -7.799 -2.208 -4.613 18 HB2 SER 3 HB3 SER 3 -7.560 -2.182 -7.641 19 HB3 SER 3 HB2 SER 3 -7.939 -3.606 -6.648 20 HG SER 3 HG SER 3 -9.829 -2.571 -7.474 21 H SER 4 H SER 4 -5.338 -1.224 -7.047 22 HA SER 4 HA SER 4 -3.294 -2.665 -5.445 23 HB2 SER 4 HB3 SER 4 -4.094 -4.204 -7.279 24 HB3 SER 4 HB2 SER 4 -3.509 -3.008 -8.455 25 HG SER 4 HG SER 4 -1.951 -4.649 -8.009 26 H GLY 5 H GLY 5 -1.245 -1.835 -5.561 27 HA2 GLY 5 HA2 GLY 5 0.258 -0.382 -7.047 28 HA3 GLY 5 HA3 GLY 5 -1.058 0.806 -6.944 29 H ILE 6 H ILE 6 0.343 2.334 -6.011 30 HA ILE 6 HA ILE 6 1.315 1.675 -3.275 31 HB ILE 6 HB ILE 6 2.032 4.013 -5.093 32 HG12 ILE 6 HG13 ILE 6 3.081 2.075 -5.978 33 HG13 ILE 6 HG12 ILE 6 4.320 2.959 -5.080 34 HG21 ILE 6 HG21 ILE 6 3.898 4.345 -3.333 35 HG22 ILE 6 HG22 ILE 6 2.864 3.376 -2.256 36 HG23 ILE 6 HG23 ILE 6 2.257 4.907 -2.932 37 HD11 ILE 6 HD11 ILE 6 4.510 0.529 -4.749 38 HD12 ILE 6 HD12 ILE 6 2.864 0.492 -4.073 39 HD13 ILE 6 HD13 ILE 6 4.156 1.373 -3.222 40 H VAL 7 H VAL 7 0.834 2.916 -1.515 41 HA VAL 7 HA VAL 7 -1.188 5.052 -1.832 42 HB VAL 7 HB VAL 7 -2.515 4.116 0.108 43 HG11 VAL 7 HG11 VAL 7 -2.730 3.675 -2.614 44 HG12 VAL 7 HG12 VAL 7 -2.938 2.052 -1.913 45 HG13 VAL 7 HG13 VAL 7 -3.994 3.388 -1.394 46 HG21 VAL 7 HG21 VAL 7 -0.861 2.467 0.928 47 HG22 VAL 7 HG22 VAL 7 -2.440 1.723 0.581 48 HG23 VAL 7 HG23 VAL 7 -1.089 1.516 -0.559 49 H ASP 8 H ASP 8 -1.107 6.643 -0.356 50 HA ASP 8 HA ASP 8 1.207 6.598 1.494 51 HB2 ASP 8 HB2 ASP 8 -0.657 8.798 0.544 52 HB3 ASP 8 HB3 ASP 8 0.577 9.045 1.794 53 H ALA 9 H ALA 9 -1.691 5.358 1.653 54 HA ALA 9 HA ALA 9 -2.006 5.823 4.550 55 HB1 ALA 9 HB1 ALA 9 -3.442 7.503 3.201 56 HB2 ALA 9 HB2 ALA 9 -4.442 6.092 2.778 57 HB3 ALA 9 HB3 ALA 9 -4.240 6.561 4.483 58 H CYS 10 H CYS 10 -4.568 4.551 4.729 59 HA CYS 10 HA CYS 10 -4.338 1.888 3.497 60 HB2 CYS 10 HB3 CYS 10 -2.866 1.634 5.444 61 HB3 CYS 10 HB2 CYS 10 -4.128 2.280 6.505 62 H SER 11 H SER 11 -5.922 4.110 5.771 63 HA SER 11 HA SER 11 -8.471 2.698 5.766 64 HB2 SER 11 HB2 SER 11 -7.759 5.520 6.642 65 HB3 SER 11 HB3 SER 11 -9.298 4.693 6.968 66 HG SER 11 HG SER 11 -7.811 4.532 8.726 67 H GLU 12 H GLU 12 -6.903 5.057 3.766 68 HA GLU 12 HA GLU 12 -9.397 5.944 2.463 69 HB2 GLU 12 HB2 GLU 12 -6.469 6.595 2.054 70 HB3 GLU 12 HB3 GLU 12 -7.733 7.173 0.955 71 HG2 GLU 12 HG2 GLU 12 -8.829 8.328 2.832 72 HG3 GLU 12 HG3 GLU 12 -7.561 7.749 3.930 73 H CYS 13 H CYS 13 -6.812 3.628 2.032 74 HA CYS 13 HA CYS 13 -7.387 3.090 -0.790 75 HB2 CYS 13 HB2 CYS 13 -5.136 2.805 0.347 76 HB3 CYS 13 HB3 CYS 13 -5.809 1.385 1.166 77 H CYS 14 H CYS 14 -7.797 0.677 -1.416 78 HA CYS 14 HA CYS 14 -10.402 -0.058 -0.458 79 HB2 CYS 14 HB2 CYS 14 -8.422 -1.754 -2.002 80 HB3 CYS 14 HB3 CYS 14 -10.162 -2.041 -1.862 81 H GLU 15 H GLU 15 -7.199 -0.868 0.613 82 HA GLU 15 HA GLU 15 -8.237 -3.083 2.315 83 HB2 GLU 15 HB2 GLU 15 -5.438 -2.279 1.467 84 HB3 GLU 15 HB3 GLU 15 -5.748 -3.479 2.733 85 HG2 GLU 15 HG3 GLU 15 -6.929 -3.763 -0.034 86 HG3 GLU 15 HG2 GLU 15 -5.277 -4.295 0.329 87 HA PRO 16 HA PRO 16 -7.981 0.391 5.350 88 HB2 PRO 16 HB3 PRO 16 -10.065 -1.085 6.833 89 HB3 PRO 16 HB2 PRO 16 -10.131 0.556 6.134 90 HG2 PRO 16 HG2 PRO 16 -11.553 -1.526 5.146 91 HG3 PRO 16 HG3 PRO 16 -10.937 -0.197 4.124 92 HD2 PRO 16 HD2 PRO 16 -9.819 -2.971 4.514 93 HD3 PRO 16 HD3 PRO 16 -10.001 -2.009 3.013 94 H ASP 17 H ASP 17 -8.203 -3.105 6.015 95 HA ASP 17 HA ASP 17 -6.308 -2.717 8.297 96 HB2 ASP 17 HB2 ASP 17 -8.705 -4.560 8.114 97 HB3 ASP 17 HB3 ASP 17 -7.417 -4.765 9.317 98 H LYS 18 H LYS 18 -7.244 -4.517 5.456 99 HA LYS 18 HA LYS 18 -5.155 -6.567 5.912 100 HB2 LYS 18 HB2 LYS 18 -7.350 -6.219 3.861 101 HB3 LYS 18 HB3 LYS 18 -6.078 -7.438 3.674 102 HG2 LYS 18 HG2 LYS 18 -6.745 -8.455 5.816 103 HG3 LYS 18 HG3 LYS 18 -8.020 -7.232 5.999 104 HD2 LYS 18 HD3 LYS 18 -9.071 -8.029 3.908 105 HD3 LYS 18 HD2 LYS 18 -7.799 -9.257 3.744 106 HE2 LYS 18 HE2 LYS 18 -9.595 -9.069 6.174 107 HE3 LYS 18 HE3 LYS 18 -10.008 -10.040 4.747 108 HZ1 LYS 18 HZ1 LYS 18 -8.923 -11.352 6.429 109 HZ2 LYS 18 HZ2 LYS 18 -7.596 -10.372 6.410 110 HZ3 LYS 18 HZ3 LYS 18 -7.973 -11.275 5.083 111 H CYS 19 H CYS 19 -4.556 -3.653 5.356 112 HA CYS 19 HA CYS 19 -3.315 -3.698 2.687 113 HB2 CYS 19 HB2 CYS 19 -2.682 -1.417 3.130 114 HB3 CYS 19 HB3 CYS 19 -4.380 -1.641 3.575 115 H ILE 20 H ILE 20 -1.071 -3.427 2.284 116 HA ILE 20 HA ILE 20 0.609 -4.678 4.401 117 HB ILE 20 HB ILE 20 1.488 -4.285 1.521 118 HG12 ILE 20 HG12 ILE 20 0.794 -6.886 1.508 119 HG13 ILE 20 HG13 ILE 20 -0.463 -6.273 2.595 120 HG21 ILE 20 HG21 ILE 20 3.188 -4.922 3.205 121 HG22 ILE 20 HG22 ILE 20 2.227 -6.364 3.612 122 HG23 ILE 20 HG23 ILE 20 2.938 -6.197 1.988 123 HD11 ILE 20 HD11 ILE 20 -0.910 -6.393 0.030 124 HD12 ILE 20 HD12 ILE 20 -1.431 -4.956 0.942 125 HD13 ILE 20 HD13 ILE 20 0.060 -4.902 -0.030 126 H ILE 21 H ILE 21 2.717 -3.871 4.827 127 HA ILE 21 HA ILE 21 2.775 -0.929 4.854 128 HB ILE 21 HB ILE 21 5.047 -2.569 5.969 129 HG12 ILE 21 HG12 ILE 21 3.453 -2.484 8.147 130 HG13 ILE 21 HG13 ILE 21 2.219 -2.725 6.898 131 HG21 ILE 21 HG21 ILE 21 4.327 -0.756 7.875 132 HG22 ILE 21 HG22 ILE 21 5.495 -0.434 6.571 133 HG23 ILE 21 HG23 ILE 21 3.800 0.082 6.396 134 HD11 ILE 21 HD11 ILE 21 2.957 -4.858 7.839 135 HD12 ILE 21 HD12 ILE 21 3.406 -4.738 6.122 136 HD13 ILE 21 HD13 ILE 21 4.637 -4.491 7.383 137 H MET 22 H MET 22 4.952 0.151 4.508 138 HA MET 22 HA MET 22 5.688 0.055 1.795 139 HB2 MET 22 HB2 MET 22 7.205 1.099 4.205 140 HB3 MET 22 HB3 MET 22 7.680 1.411 2.528 141 HG2 MET 22 HG3 MET 22 5.486 2.522 2.153 142 HG3 MET 22 HG2 MET 22 5.092 2.258 3.862 143 HE1 MET 22 HE1 MET 22 6.034 6.176 3.059 144 HE2 MET 22 HE2 MET 22 5.574 5.010 1.796 145 HE3 MET 22 HE3 MET 22 4.655 5.080 3.319 146 H LEU 23 H LEU 23 6.665 -1.472 0.667 147 HA LEU 23 HA LEU 23 9.125 -2.701 1.724 148 HB2 LEU 23 HB2 LEU 23 7.867 -4.414 2.528 149 HB3 LEU 23 HB3 LEU 23 6.551 -4.157 1.380 150 HG LEU 23 HG LEU 23 8.292 -5.137 -0.356 151 HD11 LEU 23 HD11 LEU 23 10.171 -5.220 1.240 152 HD12 LEU 23 HD12 LEU 23 9.757 -6.835 0.618 153 HD13 LEU 23 HD13 LEU 23 9.250 -6.355 2.255 154 HD21 LEU 23 HD21 LEU 23 6.115 -6.119 0.248 155 HD22 LEU 23 HD22 LEU 23 6.862 -6.883 1.671 156 HD23 LEU 23 HD23 LEU 23 7.369 -7.364 0.034 157 HA PRO 24 HA PRO 24 8.745 -3.849 -3.026 158 HB2 PRO 24 HB3 PRO 24 6.666 -1.890 -3.946 159 HB3 PRO 24 HB2 PRO 24 6.942 -3.580 -4.459 160 HG2 PRO 24 HG3 PRO 24 4.897 -2.949 -2.895 161 HG3 PRO 24 HG2 PRO 24 5.830 -4.446 -2.610 162 HD2 PRO 24 HD2 PRO 24 5.968 -1.799 -1.159 163 HD3 PRO 24 HD3 PRO 24 5.975 -3.464 -0.499 164 H THR 25 H THR 25 9.425 -2.642 -5.050 165 HA THR 25 HA THR 25 10.925 -1.211 -6.029 166 HB THR 25 HB THR 25 10.498 1.253 -5.810 167 HG1 THR 25 HG1 THR 25 8.729 1.912 -4.551 168 HG21 THR 25 HG21 THR 25 8.263 1.203 -6.846 169 HG22 THR 25 HG22 THR 25 8.050 -0.477 -6.299 170 HG23 THR 25 HG23 THR 25 9.313 -0.082 -7.489 171 H TRP 26 H TRP 26 12.495 0.782 -5.634 172 HA TRP 26 HA TRP 26 14.341 -0.082 -3.616 173 HB2 TRP 26 HB2 TRP 26 15.242 2.433 -4.238 174 HB3 TRP 26 HB3 TRP 26 15.666 0.943 -5.093 175 HD1 TRP 26 HD1 TRP 26 13.760 0.405 -7.242 176 HE1 TRP 26 HE1 TRP 26 12.900 2.067 -9.004 177 HE3 TRP 26 HE3 TRP 26 14.917 4.758 -4.819 178 HZ2 TRP 26 HZ2 TRP 26 12.811 4.858 -9.336 179 HZ3 TRP 26 HZ3 TRP 26 14.435 6.895 -5.943 180 HH2 TRP 26 HH2 TRP 26 13.393 6.942 -8.172 181 HA PRO 27 HA PRO 27 13.007 3.586 -0.905 182 HB2 PRO 27 HB2 PRO 27 10.699 5.032 -1.859 183 HB3 PRO 27 HB3 PRO 27 12.395 5.589 -1.834 184 HG2 PRO 27 HG3 PRO 27 10.891 5.078 -4.115 185 HG3 PRO 27 HG2 PRO 27 12.672 5.179 -4.043 186 HD2 PRO 27 HD2 PRO 27 10.892 2.752 -4.072 187 HD3 PRO 27 HD3 PRO 27 12.486 3.018 -4.847 188 HA PRO 28 HA PRO 28 9.592 1.536 1.164 189 HB2 PRO 28 HB2 PRO 28 9.014 3.791 2.968 190 HB3 PRO 28 HB3 PRO 28 9.825 2.242 3.331 191 HG2 PRO 28 HG3 PRO 28 11.107 4.639 3.326 192 HG3 PRO 28 HG2 PRO 28 11.911 3.092 2.940 193 HD2 PRO 28 HD3 PRO 28 10.870 5.225 1.080 194 HD3 PRO 28 HD2 PRO 28 12.405 4.303 1.000 195 H ARG 29 H ARG 29 7.687 1.207 0.183 196 HA ARG 29 HA ARG 29 5.684 3.402 0.125 197 HB2 ARG 29 HB2 ARG 29 6.603 1.820 -2.294 198 HB3 ARG 29 HB3 ARG 29 5.076 2.717 -2.245 199 HG2 ARG 29 HG3 ARG 29 6.271 4.814 -1.933 200 HG3 ARG 29 HG2 ARG 29 7.817 3.948 -1.817 201 HD2 ARG 29 HD2 ARG 29 7.432 3.093 -4.144 202 HD3 ARG 29 HD3 ARG 29 6.009 4.151 -4.244 203 HE ARG 29 HE ARG 29 8.278 5.692 -3.456 204 HH11 ARG 29 HH11 ARG 29 6.989 4.017 -6.303 205 HH12 ARG 29 HH12 ARG 29 7.808 5.078 -7.427 206 HH21 ARG 29 HH21 ARG 29 9.315 7.038 -4.940 207 HH22 ARG 29 HH22 ARG 29 9.118 6.779 -6.658 208 H TYR 30 H TYR 30 3.659 2.767 0.553 209 HA TYR 30 HA TYR 30 3.127 0.073 1.480 210 HB2 TYR 30 HB2 TYR 30 1.456 2.552 1.048 211 HB3 TYR 30 HB3 TYR 30 0.705 1.019 1.516 212 HD1 TYR 30 HD1 TYR 30 1.035 0.113 3.754 213 HD2 TYR 30 HD2 TYR 30 2.865 3.787 2.619 214 HE1 TYR 30 HE1 TYR 30 1.484 0.614 6.114 215 HE2 TYR 30 HE2 TYR 30 3.325 4.287 4.980 216 HH TYR 30 HH TYR 30 3.631 2.854 7.142 217 H VAL 31 H VAL 31 1.239 -1.243 0.746 218 HA VAL 31 HA VAL 31 0.537 -0.935 -2.114 219 HB VAL 31 HB VAL 31 0.924 -3.737 -1.728 220 HG11 VAL 31 HG11 VAL 31 0.858 -2.501 -3.859 221 HG12 VAL 31 HG12 VAL 31 2.438 -1.778 -3.474 222 HG13 VAL 31 HG13 VAL 31 2.300 -3.535 -3.720 223 HG21 VAL 31 HG21 VAL 31 3.357 -3.906 -1.499 224 HG22 VAL 31 HG22 VAL 31 3.457 -2.156 -1.190 225 HG23 VAL 31 HG23 VAL 31 2.618 -3.218 -0.033 226 H CYS 32 H CYS 32 -1.365 -1.934 -2.740 227 HA CYS 32 HA CYS 32 -3.015 -3.015 -0.490 228 HB2 CYS 32 HB2 CYS 32 -3.732 -1.125 -2.734 229 HB3 CYS 32 HB3 CYS 32 -4.968 -2.067 -1.885 230 H SER 33 H SER 33 -3.828 -4.975 -0.759 231 HA SER 33 HA SER 33 -3.606 -6.230 -3.456 232 HB2 SER 33 HB2 SER 33 -2.403 -7.224 -1.470 233 HB3 SER 33 HB3 SER 33 -3.995 -7.600 -0.778 234 HG SER 33 HG SER 33 -3.110 -9.360 -1.978 235 H VAL 34 H VAL 34 -5.770 -4.488 -2.170 236 HA VAL 34 HA VAL 34 -8.027 -4.283 -2.039 237 HB VAL 34 HB VAL 34 -7.625 -4.468 -4.508 238 HG11 VAL 34 HG11 VAL 34 -8.859 -6.520 -5.560 239 HG12 VAL 34 HG12 VAL 34 -7.141 -6.634 -5.106 240 HG13 VAL 34 HG13 VAL 34 -8.391 -7.328 -4.045 241 HG21 VAL 34 HG21 VAL 34 -9.748 -3.689 -3.525 242 HG22 VAL 34 HG22 VAL 34 -9.964 -4.483 -5.103 243 HG23 VAL 34 HG23 VAL 34 -10.375 -5.353 -3.605
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