NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
627403 | 6br0 | 30376 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 1HT ASP 1 -13.518 5.130 -0.173 2 H2 ASP 1 2HT ASP 1 -13.137 5.636 -1.721 3 H3 ASP 1 3HT ASP 1 -14.090 6.625 -0.725 4 HA ASP 1 HA ASP 1 -11.820 7.439 -0.883 5 HB2 ASP 1 HB3 ASP 1 -12.407 6.192 1.823 6 HB3 ASP 1 HB2 ASP 1 -11.338 7.548 1.513 7 H CYS 2 H CYS 2 -9.625 6.827 0.469 8 HA CYS 2 HA CYS 2 -9.084 4.018 -0.148 9 HB2 CYS 2 HB3 CYS 2 -6.875 4.607 -0.831 10 HB3 CYS 2 HB2 CYS 2 -8.034 5.396 -1.887 11 H LEU 3 H LEU 3 -6.692 3.719 0.757 12 HA LEU 3 HA LEU 3 -6.850 4.187 3.616 13 HB2 LEU 3 HB3 LEU 3 -4.884 2.560 2.057 14 HB3 LEU 3 HB2 LEU 3 -5.354 2.415 3.735 15 HG LEU 3 HG LEU 3 -7.076 1.741 1.384 16 HD11 LEU 3 HD11 LEU 3 -5.532 -0.033 3.298 17 HD12 LEU 3 HD12 LEU 3 -5.211 0.190 1.575 18 HD13 LEU 3 HD13 LEU 3 -6.686 -0.623 2.102 19 HD21 LEU 3 HD21 LEU 3 -8.377 2.384 3.332 20 HD22 LEU 3 HD22 LEU 3 -7.493 1.225 4.330 21 HD23 LEU 3 HD23 LEU 3 -8.546 0.654 3.035 22 H GLY 4 H GLY 4 -5.060 5.247 4.630 23 HA2 GLY 4 2HA GLY 4 -3.172 6.603 2.917 24 HA3 GLY 4 1HA GLY 4 -3.294 6.753 4.676 25 H TRP 5 H TRP 5 -0.687 6.216 3.912 26 HA TRP 5 HA TRP 5 -0.649 3.488 3.588 27 HB2 TRP 5 HB3 TRP 5 1.391 3.680 2.813 28 HB3 TRP 5 HB2 TRP 5 0.754 5.222 2.410 29 HD1 TRP 5 HD TRP 5 3.513 3.556 4.267 30 HE1 TRP 5 1HE TRP 5 5.239 5.200 4.924 31 HE3 TRP 5 3HE TRP 5 0.793 7.760 3.427 32 HZ2 TRP 5 2HZ TRP 5 5.444 8.083 5.192 33 HZ3 TRP 5 3HZ TRP 5 1.808 9.943 3.939 34 HH2 TRP 5 HH TRP 5 4.091 10.098 4.808 35 H PHE 6 H PHE 6 1.220 2.414 4.763 36 HA PHE 6 HA PHE 6 1.767 1.215 6.483 37 HB2 PHE 6 HB3 PHE 6 1.059 3.642 8.109 38 HB3 PHE 6 HB2 PHE 6 1.477 2.108 8.873 39 HD1 PHE 6 1HD PHE 6 3.668 1.003 7.819 40 HD2 PHE 6 2HD PHE 6 2.779 5.158 7.860 41 HE1 PHE 6 1HE PHE 6 6.062 1.506 7.609 42 HE2 PHE 6 2HE PHE 6 5.175 5.669 7.641 43 HZ PHE 6 HZ PHE 6 6.820 3.834 7.513 44 H LYS 7 H LYS 7 -1.338 2.040 5.833 45 HA LYS 7 HA LYS 7 -2.574 0.293 7.704 46 HB2 LYS 7 HB3 LYS 7 -3.598 1.469 5.142 47 HB3 LYS 7 HB2 LYS 7 -4.548 0.757 6.416 48 HG2 LYS 7 2HG LYS 7 -2.890 3.216 6.831 49 HG3 LYS 7 1HG LYS 7 -4.586 3.260 6.373 50 HD2 LYS 7 2HD LYS 7 -5.090 1.919 8.416 51 HD3 LYS 7 1HD LYS 7 -3.391 2.040 8.867 52 HE2 LYS 7 2HE LYS 7 -5.262 4.358 8.452 53 HE3 LYS 7 1HE LYS 7 -4.822 3.687 10.021 54 HZ1 LYS 7 1HZ LYS 7 -2.920 4.938 8.092 55 HZ2 LYS 7 2HZ LYS 7 -2.541 4.359 9.642 56 HZ3 LYS 7 3HZ LYS 7 -3.552 5.671 9.456 57 H SER 8 H SER 8 -3.357 -1.597 7.141 58 HA SER 8 HA SER 8 -1.764 -3.260 5.492 59 HB2 SER 8 HB3 SER 8 -4.357 -3.841 6.899 60 HB3 SER 8 HB2 SER 8 -3.093 -4.980 6.425 61 HG SER 8 HG SER 8 -1.937 -3.092 7.844 62 H CYS 9 H CYS 9 -2.263 -4.096 3.408 63 HA CYS 9 HA CYS 9 -4.923 -3.802 2.478 64 HB2 CYS 9 HB3 CYS 9 -4.020 -2.832 0.334 65 HB3 CYS 9 HB2 CYS 9 -4.183 -1.725 1.695 66 H ASP 10 H ASP 10 -4.965 -4.600 0.177 67 HA ASP 10 HA ASP 10 -3.365 -7.043 -0.080 68 HB2 ASP 10 HB3 ASP 10 -5.844 -7.356 0.119 69 HB3 ASP 10 HB2 ASP 10 -6.052 -6.319 -1.289 70 HA PRO 11 HA PRO 11 -1.620 -4.373 -3.163 71 HB2 PRO 11 HB3 PRO 11 0.025 -6.249 -4.360 72 HB3 PRO 11 HB2 PRO 11 0.440 -5.273 -2.951 73 HG2 PRO 11 2HG PRO 11 -0.440 -8.103 -3.093 74 HG3 PRO 11 1HG PRO 11 0.640 -7.315 -1.940 75 HD2 PRO 11 2HD PRO 11 -1.953 -8.002 -1.400 76 HD3 PRO 11 1HD PRO 11 -1.079 -6.698 -0.576 77 H LYS 12 H LYS 12 -3.267 -7.352 -4.044 78 HA LYS 12 HA LYS 12 -3.215 -6.575 -6.813 79 HB2 LYS 12 HB3 LYS 12 -3.021 -8.976 -5.805 80 HB3 LYS 12 HB2 LYS 12 -4.770 -8.867 -5.695 81 HG2 LYS 12 2HG LYS 12 -4.088 -10.012 -7.721 82 HG3 LYS 12 1HG LYS 12 -4.897 -8.485 -8.103 83 HD2 LYS 12 2HD LYS 12 -2.815 -7.391 -8.445 84 HD3 LYS 12 1HD LYS 12 -1.920 -8.795 -7.881 85 HE2 LYS 12 2HE LYS 12 -3.642 -8.639 -10.367 86 HE3 LYS 12 1HE LYS 12 -1.883 -8.577 -10.341 87 HZ1 LYS 12 1HZ LYS 12 -1.902 -10.823 -9.373 88 HZ2 LYS 12 2HZ LYS 12 -2.610 -10.777 -10.890 89 HZ3 LYS 12 3HZ LYS 12 -3.578 -10.871 -9.530 90 H ASN 13 H ASN 13 -5.136 -6.247 -4.060 91 HA ASN 13 HA ASN 13 -7.435 -5.322 -5.672 92 HB2 ASN 13 HB3 ASN 13 -7.783 -7.495 -4.420 93 HB3 ASN 13 HB2 ASN 13 -7.517 -6.621 -2.925 94 HD21 ASN 13 HD21 ASN 13 -9.705 -7.160 -5.571 95 HD22 ASN 13 HD22 ASN 13 -11.088 -6.456 -4.820 96 H ASP 14 H ASP 14 -5.260 -3.900 -5.002 97 HA ASP 14 HA ASP 14 -4.991 -2.567 -2.656 98 HB2 ASP 14 HB3 ASP 14 -3.271 -2.297 -4.136 99 HB3 ASP 14 HB2 ASP 14 -4.380 -1.780 -5.419 100 H LYS 15 H LYS 15 -5.897 -1.304 -1.616 101 HA LYS 15 HA LYS 15 -8.145 0.377 -2.536 102 HB2 LYS 15 HB3 LYS 15 -7.541 -0.859 0.139 103 HB3 LYS 15 HB2 LYS 15 -8.750 0.386 -0.075 104 HG2 LYS 15 2HG LYS 15 -8.793 -2.247 -1.531 105 HG3 LYS 15 1HG LYS 15 -9.612 -1.967 0.009 106 HD2 LYS 15 2HD LYS 15 -10.918 -0.183 -1.015 107 HD3 LYS 15 1HD LYS 15 -10.098 -0.446 -2.550 108 HE2 LYS 15 2HE LYS 15 -11.785 -2.477 -1.094 109 HE3 LYS 15 1HE LYS 15 -12.321 -1.503 -2.458 110 HZ1 LYS 15 1HZ LYS 15 -11.657 -3.719 -3.114 111 HZ2 LYS 15 2HZ LYS 15 -10.097 -3.495 -2.554 112 HZ3 LYS 15 3HZ LYS 15 -10.683 -2.571 -3.840 113 H CYS 16 H CYS 16 -4.947 0.739 -1.992 114 HA CYS 16 HA CYS 16 -5.170 3.065 -0.275 115 HB2 CYS 16 HB3 CYS 16 -3.270 1.329 -0.054 116 HB3 CYS 16 HB2 CYS 16 -2.699 1.913 -1.611 117 H CYS 17 H CYS 17 -4.239 5.135 -1.160 118 HA CYS 17 HA CYS 17 -5.231 5.512 -3.733 119 HB2 CYS 17 HB3 CYS 17 -4.051 7.231 -1.625 120 HB3 CYS 17 HB2 CYS 17 -4.063 7.849 -3.268 121 H LYS 18 H LYS 18 -3.629 7.113 -5.080 122 HA LYS 18 HA LYS 18 -1.520 5.309 -5.887 123 HB2 LYS 18 HB3 LYS 18 -3.255 6.571 -7.431 124 HB3 LYS 18 HB2 LYS 18 -2.190 7.938 -7.187 125 HG2 LYS 18 2HG LYS 18 -1.696 6.806 -9.280 126 HG3 LYS 18 1HG LYS 18 -0.324 6.699 -8.178 127 HD2 LYS 18 2HD LYS 18 -0.697 4.558 -9.308 128 HD3 LYS 18 1HD LYS 18 -1.006 4.385 -7.587 129 HE2 LYS 18 2HE LYS 18 -3.438 4.630 -8.046 130 HE3 LYS 18 1HE LYS 18 -3.079 4.713 -9.766 131 HZ1 LYS 18 1HZ LYS 18 -3.754 2.498 -9.152 132 HZ2 LYS 18 2HZ LYS 18 -2.591 2.397 -7.966 133 HZ3 LYS 18 3HZ LYS 18 -2.134 2.456 -9.591 134 H ASN 19 H ASN 19 0.465 6.540 -6.561 135 HA ASN 19 HA ASN 19 2.399 7.696 -6.044 136 HB2 ASN 19 HB3 ASN 19 0.925 9.728 -5.534 137 HB3 ASN 19 HB2 ASN 19 0.863 9.178 -3.874 138 HD21 ASN 19 HD21 ASN 19 1.770 11.092 -3.169 139 HD22 ASN 19 HD22 ASN 19 3.436 11.466 -3.368 140 H TYR 20 H TYR 20 0.451 6.450 -3.576 141 HA TYR 20 HA TYR 20 2.680 5.326 -2.107 142 HB2 TYR 20 HB3 TYR 20 -0.296 4.940 -1.672 143 HB3 TYR 20 HB2 TYR 20 1.018 4.644 -0.568 144 HD1 TYR 20 1HD TYR 20 2.403 6.730 0.176 145 HD2 TYR 20 2HD TYR 20 -1.498 6.921 -1.480 146 HE1 TYR 20 1HE TYR 20 2.082 8.938 1.196 147 HE2 TYR 20 2HE TYR 20 -1.830 9.132 -0.474 148 HH TYR 20 HH TYR 20 0.670 10.963 0.748 149 H THR 21 H THR 21 2.617 2.935 -1.964 150 HA THR 21 HA THR 21 0.896 1.698 -3.910 151 HB THR 21 HB THR 21 2.973 2.018 -5.012 152 HG1 THR 21 1HG THR 21 1.859 0.132 -5.507 153 HG21 THR 21 1HG2 THR 21 4.550 2.089 -3.162 154 HG22 THR 21 2HG2 THR 21 5.063 0.847 -4.305 155 HG23 THR 21 3HG2 THR 21 4.250 0.387 -2.809 156 H CYS 22 H CYS 22 0.549 -0.423 -3.519 157 HA CYS 22 HA CYS 22 0.735 -1.027 -0.672 158 HB2 CYS 22 HB3 CYS 22 -1.471 -1.167 -1.682 159 HB3 CYS 22 HB2 CYS 22 -0.879 -2.464 -2.752 160 H SER 23 H SER 23 2.001 -2.307 0.056 161 HA SER 23 HA SER 23 3.998 -3.492 -1.669 162 HB2 SER 23 HB3 SER 23 4.741 -2.119 0.202 163 HB3 SER 23 HB2 SER 23 3.872 -3.142 1.335 164 HG SER 23 HG SER 23 6.214 -3.479 1.095 165 H ARG 24 H ARG 24 4.305 -5.577 -1.979 166 HA ARG 24 HA ARG 24 2.480 -7.501 -0.806 167 HB2 ARG 24 HB3 ARG 24 2.918 -7.641 -3.214 168 HB3 ARG 24 HB2 ARG 24 4.643 -7.742 -2.922 169 HG2 ARG 24 2HG ARG 24 3.808 -9.907 -3.523 170 HG3 ARG 24 1HG ARG 24 4.296 -9.922 -1.832 171 HD2 ARG 24 2HD ARG 24 1.909 -9.621 -1.196 172 HD3 ARG 24 1HD ARG 24 1.474 -9.767 -2.904 173 HE ARG 24 HE ARG 24 3.112 -11.899 -1.976 174 HH11 ARG 24 1HH1 ARG 24 -0.288 -10.923 -2.392 175 HH12 ARG 24 2HH1 ARG 24 -0.881 -12.485 -2.053 176 HH21 ARG 24 1HH2 ARG 24 2.266 -13.974 -1.524 177 HH22 ARG 24 2HH2 ARG 24 0.577 -14.252 -1.526 178 H ARG 25 H ARG 25 5.617 -6.287 -0.441 179 HA ARG 25 HA ARG 25 6.792 -8.517 0.912 180 HB2 ARG 25 HB3 ARG 25 8.034 -6.839 -0.441 181 HB3 ARG 25 HB2 ARG 25 7.633 -5.631 0.762 182 HG2 ARG 25 2HG ARG 25 8.823 -6.893 2.444 183 HG3 ARG 25 1HG ARG 25 9.254 -8.093 1.213 184 HD2 ARG 25 2HD ARG 25 10.431 -6.360 -0.057 185 HD3 ARG 25 1HD ARG 25 10.020 -5.176 1.182 186 HE ARG 25 HE ARG 25 11.461 -7.485 2.141 187 HH11 ARG 25 1HH1 ARG 25 11.765 -4.221 0.833 188 HH12 ARG 25 2HH1 ARG 25 13.318 -3.959 1.457 189 HH21 ARG 25 1HH2 ARG 25 13.576 -7.126 3.007 190 HH22 ARG 25 2HH2 ARG 25 14.369 -5.634 2.755 191 H ASP 26 H ASP 26 5.591 -5.331 1.763 192 HA ASP 26 HA ASP 26 5.861 -5.866 4.630 193 HB2 ASP 26 HB3 ASP 26 4.787 -3.395 3.241 194 HB3 ASP 26 HB2 ASP 26 5.179 -3.541 4.945 195 H ARG 27 H ARG 27 3.529 -6.167 2.185 196 HA ARG 27 HA ARG 27 1.444 -6.404 1.977 197 HB2 ARG 27 HB3 ARG 27 1.563 -7.539 4.768 198 HB3 ARG 27 HB2 ARG 27 0.242 -7.750 3.613 199 HG2 ARG 27 2HG ARG 27 1.371 -9.657 3.174 200 HG3 ARG 27 1HG ARG 27 2.183 -8.588 2.063 201 HD2 ARG 27 2HD ARG 27 3.825 -9.915 3.205 202 HD3 ARG 27 1HD ARG 27 3.962 -8.238 3.727 203 HE ARG 27 HE ARG 27 2.354 -10.025 5.347 204 HH11 ARG 27 1HH1 ARG 27 5.438 -8.373 4.918 205 HH12 ARG 27 2HH1 ARG 27 5.915 -8.504 6.549 206 HH21 ARG 27 1HH2 ARG 27 3.063 -10.295 7.614 207 HH22 ARG 27 2HH2 ARG 27 4.541 -9.604 8.094 208 H TRP 28 H TRP 28 2.353 -3.847 3.329 209 HA TRP 28 HA TRP 28 -0.370 -2.955 3.601 210 HB2 TRP 28 HB3 TRP 28 0.182 -1.396 5.421 211 HB3 TRP 28 HB2 TRP 28 0.507 -3.042 5.912 212 HD1 TRP 28 HD TRP 28 2.484 0.014 4.607 213 HE1 TRP 28 1HE TRP 28 4.747 0.077 5.817 214 HE3 TRP 28 3HE TRP 28 2.058 -4.258 7.337 215 HZ2 TRP 28 2HZ TRP 28 6.158 -1.452 7.678 216 HZ3 TRP 28 3HZ TRP 28 3.905 -4.893 8.816 217 HH2 TRP 28 HH TRP 28 5.921 -3.518 8.987 218 H CYS 29 H CYS 29 -0.380 -0.450 3.363 219 HA CYS 29 HA CYS 29 0.920 -0.021 0.878 220 HB2 CYS 29 HB3 CYS 29 -1.409 0.637 1.158 221 HB3 CYS 29 HB2 CYS 29 -0.955 1.751 2.446 222 H LYS 30 H LYS 30 2.465 1.456 0.426 223 HA LYS 30 HA LYS 30 3.517 3.134 2.548 224 HB2 LYS 30 HB3 LYS 30 5.098 1.051 1.118 225 HB3 LYS 30 HB2 LYS 30 5.821 2.446 1.848 226 HG2 LYS 30 2HG LYS 30 5.246 1.757 4.029 227 HG3 LYS 30 1HG LYS 30 4.082 0.582 3.413 228 HD2 LYS 30 2HD LYS 30 6.182 -0.406 4.271 229 HD3 LYS 30 1HD LYS 30 5.801 -0.832 2.604 230 HE2 LYS 30 2HE LYS 30 7.398 0.922 1.865 231 HE3 LYS 30 1HE LYS 30 7.816 1.201 3.556 232 HZ1 LYS 30 1HZ LYS 30 8.719 -0.942 3.738 233 HZ2 LYS 30 2HZ LYS 30 9.298 -0.399 2.245 234 HZ3 LYS 30 3HZ LYS 30 8.003 -1.475 2.333 235 H TYR 31 H TYR 31 4.968 4.693 1.878 236 HA TYR 31 HA TYR 31 4.416 5.722 -0.780 237 HB2 TYR 31 HB3 TYR 31 4.439 7.177 1.308 238 HB3 TYR 31 HB2 TYR 31 6.160 6.854 1.435 239 HD1 TYR 31 1HD TYR 31 7.743 7.873 -0.189 240 HD2 TYR 31 2HD TYR 31 3.570 8.678 -0.335 241 HE1 TYR 31 1HE TYR 31 8.164 9.797 -1.654 242 HE2 TYR 31 2HE TYR 31 3.970 10.578 -1.778 243 HH TYR 31 HH TYR 31 6.908 11.104 -3.335 244 H ASP 32 H ASP 32 5.726 5.013 -2.380 245 HA ASP 32 HA ASP 32 8.579 4.668 -1.772 246 HB2 ASP 32 HB3 ASP 32 7.396 2.466 -1.472 247 HB3 ASP 32 HB2 ASP 32 7.000 2.513 -3.185 248 H LEU 33 H LEU 33 6.384 6.083 -3.696 249 HA LEU 33 HA LEU 33 7.891 5.684 -6.164 250 HB2 LEU 33 HB3 LEU 33 5.197 6.981 -5.743 251 HB3 LEU 33 HB2 LEU 33 5.967 6.690 -7.289 252 HG LEU 33 HG LEU 33 4.963 4.568 -5.386 253 HD11 LEU 33 HD11 LEU 33 3.170 5.781 -6.478 254 HD12 LEU 33 HD12 LEU 33 3.289 4.135 -7.086 255 HD13 LEU 33 HD13 LEU 33 3.905 5.478 -8.054 256 HD21 LEU 33 HD21 LEU 33 6.920 3.793 -6.629 257 HD22 LEU 33 HD22 LEU 33 6.164 4.301 -8.142 258 HD23 LEU 33 HD23 LEU 33 5.452 2.996 -7.196 259 HN1 NH2 34 HN1 NH2 34 9.623 6.998 -5.643 260 HN2 NH2 34 HN2 NH2 34 9.498 8.718 -5.535 Start of MODEL 2 1 H1 ASP 1 1HT ASP 1 -13.330 6.446 0.669 2 H2 ASP 1 2HT ASP 1 -13.540 6.295 -0.993 3 H3 ASP 1 3HT ASP 1 -13.898 7.764 -0.217 4 HA ASP 1 HA ASP 1 -11.802 7.810 -1.428 5 HB2 ASP 1 HB3 ASP 1 -11.639 8.030 1.592 6 HB3 ASP 1 HB2 ASP 1 -10.443 8.681 0.475 7 H CYS 2 H CYS 2 -9.381 7.351 -0.511 8 HA CYS 2 HA CYS 2 -9.265 4.458 -0.249 9 HB2 CYS 2 HB3 CYS 2 -6.964 4.878 -1.189 10 HB3 CYS 2 HB2 CYS 2 -8.320 4.875 -2.304 11 H LEU 3 H LEU 3 -6.902 3.900 0.561 12 HA LEU 3 HA LEU 3 -6.797 4.940 3.242 13 HB2 LEU 3 HB3 LEU 3 -5.078 2.866 1.961 14 HB3 LEU 3 HB2 LEU 3 -5.507 3.062 3.644 15 HG LEU 3 HG LEU 3 -7.416 2.300 1.488 16 HD11 LEU 3 HD11 LEU 3 -5.962 0.575 3.537 17 HD12 LEU 3 HD12 LEU 3 -5.711 0.559 1.791 18 HD13 LEU 3 HD13 LEU 3 -7.237 -0.005 2.463 19 HD21 LEU 3 HD21 LEU 3 -7.667 2.224 4.502 20 HD22 LEU 3 HD22 LEU 3 -8.865 1.597 3.369 21 HD23 LEU 3 HD23 LEU 3 -8.496 3.323 3.398 22 H GLY 4 H GLY 4 -4.800 5.649 4.163 23 HA2 GLY 4 2HA GLY 4 -2.845 6.747 2.319 24 HA3 GLY 4 1HA GLY 4 -2.911 7.001 4.074 25 H TRP 5 H TRP 5 -0.380 6.216 3.565 26 HA TRP 5 HA TRP 5 -0.483 3.476 3.201 27 HB2 TRP 5 HB3 TRP 5 1.645 3.587 2.634 28 HB3 TRP 5 HB2 TRP 5 1.139 5.169 2.202 29 HD1 TRP 5 HD TRP 5 3.562 3.326 4.369 30 HE1 TRP 5 1HE TRP 5 5.251 4.923 5.334 31 HE3 TRP 5 3HE TRP 5 1.224 7.680 3.169 32 HZ2 TRP 5 2HZ TRP 5 5.549 7.760 5.628 33 HZ3 TRP 5 3HZ TRP 5 2.269 9.796 3.838 34 HH2 TRP 5 HH TRP 5 4.387 9.829 5.045 35 H PHE 6 H PHE 6 1.295 2.370 4.684 36 HA PHE 6 HA PHE 6 1.586 1.242 6.545 37 HB2 PHE 6 HB3 PHE 6 0.561 3.715 7.934 38 HB3 PHE 6 HB2 PHE 6 0.915 2.225 8.798 39 HD1 PHE 6 1HD PHE 6 3.289 1.220 8.345 40 HD2 PHE 6 2HD PHE 6 2.245 5.302 7.742 41 HE1 PHE 6 1HE PHE 6 5.647 1.851 8.566 42 HE2 PHE 6 2HE PHE 6 4.603 5.935 7.951 43 HZ PHE 6 HZ PHE 6 6.313 4.206 8.366 44 H LYS 7 H LYS 7 -1.471 2.181 5.519 45 HA LYS 7 HA LYS 7 -2.937 0.533 7.258 46 HB2 LYS 7 HB3 LYS 7 -3.612 1.767 4.597 47 HB3 LYS 7 HB2 LYS 7 -4.747 1.031 5.709 48 HG2 LYS 7 2HG LYS 7 -3.065 3.405 6.396 49 HG3 LYS 7 1HG LYS 7 -4.718 3.504 5.796 50 HD2 LYS 7 2HD LYS 7 -5.457 2.146 7.732 51 HD3 LYS 7 1HD LYS 7 -3.798 2.099 8.312 52 HE2 LYS 7 2HE LYS 7 -5.436 4.577 7.912 53 HE3 LYS 7 1HE LYS 7 -5.164 3.781 9.462 54 HZ1 LYS 7 1HZ LYS 7 -2.785 4.216 9.210 55 HZ2 LYS 7 2HZ LYS 7 -3.656 5.646 9.152 56 HZ3 LYS 7 3HZ LYS 7 -3.064 4.989 7.735 57 H SER 8 H SER 8 -3.968 -1.237 6.599 58 HA SER 8 HA SER 8 -2.301 -3.148 5.371 59 HB2 SER 8 HB3 SER 8 -5.121 -3.364 6.399 60 HB3 SER 8 HB2 SER 8 -3.953 -4.667 6.156 61 HG SER 8 HG SER 8 -4.270 -3.560 8.346 62 H CYS 9 H CYS 9 -2.710 -4.314 3.454 63 HA CYS 9 HA CYS 9 -4.858 -3.439 1.776 64 HB2 CYS 9 HB3 CYS 9 -3.163 -3.219 -0.057 65 HB3 CYS 9 HB2 CYS 9 -3.160 -1.933 1.141 66 H ASP 10 H ASP 10 -4.424 -4.675 -0.386 67 HA ASP 10 HA ASP 10 -3.599 -7.445 0.145 68 HB2 ASP 10 HB3 ASP 10 -6.080 -7.202 -0.205 69 HB3 ASP 10 HB2 ASP 10 -5.749 -6.467 -1.769 70 HA PRO 11 HA PRO 11 -0.611 -6.217 -2.856 71 HB2 PRO 11 HB3 PRO 11 0.216 -8.655 -3.759 72 HB3 PRO 11 HB2 PRO 11 0.715 -7.956 -2.212 73 HG2 PRO 11 2HG PRO 11 -1.408 -9.984 -2.781 74 HG3 PRO 11 1HG PRO 11 -0.223 -9.950 -1.465 75 HD2 PRO 11 2HD PRO 11 -2.788 -9.195 -1.096 76 HD3 PRO 11 1HD PRO 11 -1.436 -8.422 -0.240 77 H LYS 12 H LYS 12 -3.292 -8.300 -3.864 78 HA LYS 12 HA LYS 12 -2.693 -7.763 -6.620 79 HB2 LYS 12 HB3 LYS 12 -4.461 -9.605 -5.115 80 HB3 LYS 12 HB2 LYS 12 -4.580 -9.361 -6.845 81 HG2 LYS 12 2HG LYS 12 -2.289 -10.165 -7.132 82 HG3 LYS 12 1HG LYS 12 -2.090 -10.264 -5.382 83 HD2 LYS 12 2HD LYS 12 -2.479 -12.467 -6.261 84 HD3 LYS 12 1HD LYS 12 -3.865 -11.946 -5.308 85 HE2 LYS 12 2HE LYS 12 -4.623 -13.059 -7.332 86 HE3 LYS 12 1HE LYS 12 -5.063 -11.359 -7.375 87 HZ1 LYS 12 1HZ LYS 12 -2.720 -12.547 -8.772 88 HZ2 LYS 12 2HZ LYS 12 -3.220 -10.934 -8.884 89 HZ3 LYS 12 3HZ LYS 12 -4.186 -12.154 -9.484 90 H ASN 13 H ASN 13 -4.482 -6.527 -4.095 91 HA ASN 13 HA ASN 13 -6.070 -4.978 -5.946 92 HB2 ASN 13 HB3 ASN 13 -7.444 -7.000 -5.320 93 HB3 ASN 13 HB2 ASN 13 -7.446 -6.412 -3.665 94 HD21 ASN 13 HD21 ASN 13 -9.714 -6.240 -3.727 95 HD22 ASN 13 HD22 ASN 13 -10.520 -4.959 -4.553 96 H ASP 14 H ASP 14 -4.745 -3.385 -5.337 97 HA ASP 14 HA ASP 14 -4.211 -2.534 -2.679 98 HB2 ASP 14 HB3 ASP 14 -2.748 -2.069 -4.607 99 HB3 ASP 14 HB2 ASP 14 -4.018 -1.022 -5.260 100 H LYS 15 H LYS 15 -5.070 -0.897 -1.554 101 HA LYS 15 HA LYS 15 -7.696 0.142 -2.423 102 HB2 LYS 15 HB3 LYS 15 -6.793 -0.609 0.348 103 HB3 LYS 15 HB2 LYS 15 -8.377 -0.028 -0.116 104 HG2 LYS 15 2HG LYS 15 -7.155 -2.647 -0.980 105 HG3 LYS 15 1HG LYS 15 -8.296 -2.450 0.348 106 HD2 LYS 15 2HD LYS 15 -9.982 -1.638 -1.228 107 HD3 LYS 15 1HD LYS 15 -8.832 -1.821 -2.553 108 HE2 LYS 15 2HE LYS 15 -10.366 -3.722 -2.444 109 HE3 LYS 15 1HE LYS 15 -8.703 -4.213 -2.142 110 HZ1 LYS 15 1HZ LYS 15 -10.218 -5.278 -0.621 111 HZ2 LYS 15 2HZ LYS 15 -10.802 -3.800 -0.082 112 HZ3 LYS 15 3HZ LYS 15 -9.209 -4.243 0.245 113 H CYS 16 H CYS 16 -4.672 1.171 -2.172 114 HA CYS 16 HA CYS 16 -5.186 3.291 -0.265 115 HB2 CYS 16 HB3 CYS 16 -2.599 2.180 -1.355 116 HB3 CYS 16 HB2 CYS 16 -2.721 3.533 -0.225 117 H CYS 17 H CYS 17 -4.288 5.457 -0.807 118 HA CYS 17 HA CYS 17 -5.278 6.262 -3.247 119 HB2 CYS 17 HB3 CYS 17 -3.616 7.686 -1.172 120 HB3 CYS 17 HB2 CYS 17 -4.459 8.453 -2.511 121 H LYS 18 H LYS 18 -3.915 7.682 -4.650 122 HA LYS 18 HA LYS 18 -1.988 6.143 -5.900 123 HB2 LYS 18 HB3 LYS 18 -3.480 7.893 -6.946 124 HB3 LYS 18 HB2 LYS 18 -2.426 9.110 -6.254 125 HG2 LYS 18 2HG LYS 18 -1.916 8.732 -8.608 126 HG3 LYS 18 1HG LYS 18 -0.556 8.281 -7.579 127 HD2 LYS 18 2HD LYS 18 -0.898 6.634 -9.342 128 HD3 LYS 18 1HD LYS 18 -1.202 5.910 -7.768 129 HE2 LYS 18 2HE LYS 18 -3.650 6.276 -8.165 130 HE3 LYS 18 1HE LYS 18 -3.249 6.851 -9.781 131 HZ1 LYS 18 1HZ LYS 18 -3.885 4.553 -9.853 132 HZ2 LYS 18 2HZ LYS 18 -2.761 4.141 -8.685 133 HZ3 LYS 18 3HZ LYS 18 -2.237 4.631 -10.205 134 H ASN 19 H ASN 19 0.083 6.478 -6.155 135 HA ASN 19 HA ASN 19 2.268 6.913 -5.747 136 HB2 ASN 19 HB3 ASN 19 1.314 9.090 -3.878 137 HB3 ASN 19 HB2 ASN 19 3.005 8.732 -4.197 138 HD21 ASN 19 HD21 ASN 19 2.612 8.249 -7.078 139 HD22 ASN 19 HD22 ASN 19 2.313 9.801 -7.755 140 H TYR 20 H TYR 20 0.113 6.365 -3.206 141 HA TYR 20 HA TYR 20 2.170 4.951 -1.739 142 HB2 TYR 20 HB3 TYR 20 -0.773 4.944 -1.160 143 HB3 TYR 20 HB2 TYR 20 0.573 4.653 -0.084 144 HD1 TYR 20 1HD TYR 20 -1.713 7.083 -1.211 145 HD2 TYR 20 2HD TYR 20 2.160 6.645 0.444 146 HE1 TYR 20 1HE TYR 20 -1.761 9.438 -0.518 147 HE2 TYR 20 2HE TYR 20 2.140 8.996 1.143 148 HH TYR 20 HH TYR 20 1.052 11.061 0.586 149 H THR 21 H THR 21 2.153 2.740 -1.751 150 HA THR 21 HA THR 21 0.116 1.385 -3.342 151 HB THR 21 HB THR 21 3.014 0.846 -3.888 152 HG1 THR 21 1HG THR 21 1.356 2.892 -4.826 153 HG21 THR 21 1HG2 THR 21 0.502 0.356 -5.508 154 HG22 THR 21 2HG2 THR 21 1.380 -0.851 -4.573 155 HG23 THR 21 3HG2 THR 21 2.135 -0.117 -5.985 156 H CYS 22 H CYS 22 -0.156 -0.651 -2.718 157 HA CYS 22 HA CYS 22 0.611 -1.552 -0.216 158 HB2 CYS 22 HB3 CYS 22 -1.320 -2.283 -1.477 159 HB3 CYS 22 HB2 CYS 22 -0.268 -3.233 -2.553 160 H SER 23 H SER 23 2.217 -2.597 0.490 161 HA SER 23 HA SER 23 4.441 -3.221 -1.292 162 HB2 SER 23 HB3 SER 23 5.007 -1.845 0.640 163 HB3 SER 23 HB2 SER 23 4.277 -3.017 1.731 164 HG SER 23 HG SER 23 6.619 -3.284 0.164 165 H ARG 24 H ARG 24 5.066 -5.261 -1.658 166 HA ARG 24 HA ARG 24 3.428 -7.391 -0.571 167 HB2 ARG 24 HB3 ARG 24 4.054 -7.343 -2.985 168 HB3 ARG 24 HB2 ARG 24 5.739 -7.493 -2.530 169 HG2 ARG 24 2HG ARG 24 4.769 -9.611 -3.337 170 HG3 ARG 24 1HG ARG 24 5.352 -9.727 -1.677 171 HD2 ARG 24 2HD ARG 24 3.134 -9.657 -0.802 172 HD3 ARG 24 1HD ARG 24 2.476 -9.150 -2.347 173 HE ARG 24 HE ARG 24 3.413 -11.442 -3.094 174 HH11 ARG 24 1HH1 ARG 24 2.027 -10.932 0.112 175 HH12 ARG 24 2HH1 ARG 24 1.135 -12.376 0.119 176 HH21 ARG 24 1HH2 ARG 24 2.246 -13.466 -3.074 177 HH22 ARG 24 2HH2 ARG 24 1.275 -13.868 -1.738 178 H ARG 25 H ARG 25 6.286 -5.763 0.094 179 HA ARG 25 HA ARG 25 7.734 -7.856 1.327 180 HB2 ARG 25 HB3 ARG 25 8.703 -5.807 0.277 181 HB3 ARG 25 HB2 ARG 25 8.000 -4.865 1.583 182 HG2 ARG 25 2HG ARG 25 10.249 -5.197 2.107 183 HG3 ARG 25 1HG ARG 25 9.289 -6.265 3.152 184 HD2 ARG 25 2HD ARG 25 11.260 -7.448 2.259 185 HD3 ARG 25 1HD ARG 25 9.756 -8.159 1.674 186 HE ARG 25 HE ARG 25 10.827 -6.151 -0.048 187 HH11 ARG 25 1HH1 ARG 25 10.998 -9.617 0.722 188 HH12 ARG 25 2HH1 ARG 25 11.580 -10.070 -0.811 189 HH21 ARG 25 1HH2 ARG 25 11.599 -6.788 -2.162 190 HH22 ARG 25 2HH2 ARG 25 11.951 -8.433 -2.477 191 H ASP 26 H ASP 26 6.026 -4.941 2.482 192 HA ASP 26 HA ASP 26 6.071 -6.036 5.198 193 HB2 ASP 26 HB3 ASP 26 5.307 -3.289 4.216 194 HB3 ASP 26 HB2 ASP 26 5.325 -3.787 5.903 195 H ARG 27 H ARG 27 3.978 -5.899 2.612 196 HA ARG 27 HA ARG 27 1.929 -6.428 2.209 197 HB2 ARG 27 HB3 ARG 27 1.723 -7.351 5.071 198 HB3 ARG 27 HB2 ARG 27 0.597 -7.674 3.742 199 HG2 ARG 27 2HG ARG 27 2.357 -8.886 2.563 200 HG3 ARG 27 1HG ARG 27 3.432 -8.632 3.939 201 HD2 ARG 27 2HD ARG 27 1.789 -9.812 5.374 202 HD3 ARG 27 1HD ARG 27 0.825 -10.151 3.939 203 HE ARG 27 HE ARG 27 3.605 -10.995 4.033 204 HH11 ARG 27 1HH1 ARG 27 0.187 -11.970 3.933 205 HH12 ARG 27 2HH1 ARG 27 0.560 -13.621 3.654 206 HH21 ARG 27 1HH2 ARG 27 4.043 -13.216 3.664 207 HH22 ARG 27 2HH2 ARG 27 2.768 -14.337 3.486 208 H TRP 28 H TRP 28 2.660 -3.820 3.731 209 HA TRP 28 HA TRP 28 -0.111 -2.926 3.652 210 HB2 TRP 28 HB3 TRP 28 0.252 -1.313 5.452 211 HB3 TRP 28 HB2 TRP 28 0.564 -2.926 6.049 212 HD1 TRP 28 HD TRP 28 2.683 0.073 4.719 213 HE1 TRP 28 1HE TRP 28 4.781 0.260 6.196 214 HE3 TRP 28 3HE TRP 28 1.902 -3.949 7.762 215 HZ2 TRP 28 2HZ TRP 28 5.947 -1.103 8.351 216 HZ3 TRP 28 3HZ TRP 28 3.561 -4.428 9.518 217 HH2 TRP 28 HH TRP 28 5.532 -3.036 9.800 218 H CYS 29 H CYS 29 -0.256 -0.565 3.177 219 HA CYS 29 HA CYS 29 1.237 -0.120 0.861 220 HB2 CYS 29 HB3 CYS 29 -0.733 1.415 2.459 221 HB3 CYS 29 HB2 CYS 29 -0.036 2.037 0.961 222 H LYS 30 H LYS 30 2.856 1.214 0.478 223 HA LYS 30 HA LYS 30 3.648 3.135 2.497 224 HB2 LYS 30 HB3 LYS 30 5.498 1.197 1.123 225 HB3 LYS 30 HB2 LYS 30 6.035 2.696 1.829 226 HG2 LYS 30 2HG LYS 30 5.319 1.922 4.023 227 HG3 LYS 30 1HG LYS 30 4.719 0.423 3.299 228 HD2 LYS 30 2HD LYS 30 6.913 -0.222 2.632 229 HD3 LYS 30 1HD LYS 30 7.574 1.354 3.076 230 HE2 LYS 30 2HE LYS 30 7.074 0.919 5.404 231 HE3 LYS 30 1HE LYS 30 6.348 -0.629 4.980 232 HZ1 LYS 30 1HZ LYS 30 8.692 -0.713 5.814 233 HZ2 LYS 30 2HZ LYS 30 9.182 -0.018 4.343 234 HZ3 LYS 30 3HZ LYS 30 8.377 -1.504 4.377 235 H TYR 31 H TYR 31 5.217 4.708 1.507 236 HA TYR 31 HA TYR 31 3.975 5.692 -0.885 237 HB2 TYR 31 HB3 TYR 31 4.620 7.158 1.009 238 HB3 TYR 31 HB2 TYR 31 6.299 6.726 0.750 239 HD1 TYR 31 1HD TYR 31 7.616 8.183 -0.469 240 HD2 TYR 31 2HD TYR 31 3.409 8.209 -1.096 241 HE1 TYR 31 1HE TYR 31 7.854 10.124 -1.933 242 HE2 TYR 31 2HE TYR 31 3.635 10.147 -2.567 243 HH TYR 31 HH TYR 31 6.675 11.289 -3.682 244 H ASP 32 H ASP 32 4.546 4.892 -2.746 245 HA ASP 32 HA ASP 32 7.323 3.992 -3.189 246 HB2 ASP 32 HB3 ASP 32 5.651 2.189 -3.327 247 HB3 ASP 32 HB2 ASP 32 4.756 3.094 -4.535 248 H LEU 33 H LEU 33 4.891 6.149 -4.044 249 HA LEU 33 HA LEU 33 4.707 7.903 -5.333 250 HB2 LEU 33 HB3 LEU 33 6.977 8.492 -4.724 251 HB3 LEU 33 HB2 LEU 33 7.624 7.470 -5.987 252 HG LEU 33 HG LEU 33 6.610 8.964 -7.689 253 HD11 LEU 33 HD11 LEU 33 5.870 10.676 -5.325 254 HD12 LEU 33 HD12 LEU 33 4.754 9.850 -6.413 255 HD13 LEU 33 HD13 LEU 33 5.767 11.159 -7.017 256 HD21 LEU 33 HD21 LEU 33 8.152 10.832 -7.378 257 HD22 LEU 33 HD22 LEU 33 8.918 9.287 -7.000 258 HD23 LEU 33 HD23 LEU 33 8.386 10.353 -5.697 259 HN1 NH2 34 HN1 NH2 34 6.964 6.417 -7.544 260 HN2 NH2 34 HN2 NH2 34 5.792 6.062 -8.761 Start of MODEL 3 1 H1 ASP 1 1HT ASP 1 -13.466 5.115 -0.324 2 H2 ASP 1 2HT ASP 1 -13.171 5.881 -1.784 3 H3 ASP 1 3HT ASP 1 -14.122 6.646 -0.616 4 HA ASP 1 HA ASP 1 -11.892 7.592 -0.689 5 HB2 ASP 1 HB3 ASP 1 -12.316 5.864 1.761 6 HB3 ASP 1 HB2 ASP 1 -11.265 7.264 1.659 7 H CYS 2 H CYS 2 -9.594 7.053 0.155 8 HA CYS 2 HA CYS 2 -8.974 4.267 -0.344 9 HB2 CYS 2 HB3 CYS 2 -6.799 4.994 -1.189 10 HB3 CYS 2 HB2 CYS 2 -8.128 5.231 -2.305 11 H LEU 3 H LEU 3 -6.689 3.808 0.416 12 HA LEU 3 HA LEU 3 -6.708 4.454 3.234 13 HB2 LEU 3 HB3 LEU 3 -4.964 2.543 1.748 14 HB3 LEU 3 HB2 LEU 3 -5.449 2.528 3.429 15 HG LEU 3 HG LEU 3 -7.294 2.092 1.129 16 HD11 LEU 3 HD11 LEU 3 -5.989 0.082 3.013 17 HD12 LEU 3 HD12 LEU 3 -5.651 0.256 1.289 18 HD13 LEU 3 HD13 LEU 3 -7.229 -0.321 1.826 19 HD21 LEU 3 HD21 LEU 3 -8.819 1.193 2.867 20 HD22 LEU 3 HD22 LEU 3 -8.438 2.900 3.090 21 HD23 LEU 3 HD23 LEU 3 -7.656 1.682 4.098 22 H GLY 4 H GLY 4 -4.921 5.326 4.266 23 HA2 GLY 4 2HA GLY 4 -2.843 6.526 2.667 24 HA3 GLY 4 1HA GLY 4 -3.051 6.662 4.422 25 H TRP 5 H TRP 5 -0.470 6.023 3.884 26 HA TRP 5 HA TRP 5 -0.392 3.297 3.448 27 HB2 TRP 5 HB3 TRP 5 1.738 3.588 2.954 28 HB3 TRP 5 HB2 TRP 5 1.128 5.154 2.589 29 HD1 TRP 5 HD TRP 5 3.803 3.448 4.381 30 HE1 TRP 5 1HE TRP 5 5.279 5.032 5.590 31 HE3 TRP 5 3HE TRP 5 0.732 7.547 4.238 32 HZ2 TRP 5 2HZ TRP 5 5.170 7.765 6.503 33 HZ3 TRP 5 3HZ TRP 5 1.502 9.600 5.333 34 HH2 TRP 5 HH TRP 5 3.675 9.703 6.441 35 H PHE 6 H PHE 6 1.282 2.161 4.865 36 HA PHE 6 HA PHE 6 1.674 1.011 6.684 37 HB2 PHE 6 HB3 PHE 6 0.554 3.374 8.169 38 HB3 PHE 6 HB2 PHE 6 0.886 1.848 8.978 39 HD1 PHE 6 1HD PHE 6 3.286 0.883 8.582 40 HD2 PHE 6 2HD PHE 6 2.222 4.972 8.099 41 HE1 PHE 6 1HE PHE 6 5.627 1.519 8.924 42 HE2 PHE 6 2HE PHE 6 4.575 5.620 8.429 43 HZ PHE 6 HZ PHE 6 6.282 3.891 8.844 44 H LYS 7 H LYS 7 -1.392 1.681 5.563 45 HA LYS 7 HA LYS 7 -2.707 -0.166 7.277 46 HB2 LYS 7 HB3 LYS 7 -3.566 1.056 4.684 47 HB3 LYS 7 HB2 LYS 7 -4.583 0.243 5.844 48 HG2 LYS 7 2HG LYS 7 -3.073 2.749 6.480 49 HG3 LYS 7 1HG LYS 7 -4.747 2.733 5.943 50 HD2 LYS 7 2HD LYS 7 -5.328 1.340 7.909 51 HD3 LYS 7 1HD LYS 7 -3.640 1.375 8.417 52 HE2 LYS 7 2HE LYS 7 -3.760 3.790 8.682 53 HE3 LYS 7 1HE LYS 7 -5.439 3.771 8.135 54 HZ1 LYS 7 1HZ LYS 7 -6.002 2.429 10.058 55 HZ2 LYS 7 2HZ LYS 7 -5.270 3.855 10.559 56 HZ3 LYS 7 3HZ LYS 7 -4.409 2.416 10.563 57 H SER 8 H SER 8 -3.364 -2.046 6.645 58 HA SER 8 HA SER 8 -1.564 -3.624 5.161 59 HB2 SER 8 HB3 SER 8 -4.233 -4.299 6.366 60 HB3 SER 8 HB2 SER 8 -2.921 -5.405 5.952 61 HG SER 8 HG SER 8 -1.611 -4.138 7.443 62 H CYS 9 H CYS 9 -2.057 -4.896 3.244 63 HA CYS 9 HA CYS 9 -4.437 -4.248 1.811 64 HB2 CYS 9 HB3 CYS 9 -3.050 -3.459 -0.076 65 HB3 CYS 9 HB2 CYS 9 -3.162 -2.340 1.285 66 H ASP 10 H ASP 10 -4.051 -5.071 -0.489 67 HA ASP 10 HA ASP 10 -2.470 -7.549 -0.645 68 HB2 ASP 10 HB3 ASP 10 -4.899 -8.051 -0.436 69 HB3 ASP 10 HB2 ASP 10 -5.224 -6.991 -1.799 70 HA PRO 11 HA PRO 11 -0.728 -5.189 -3.976 71 HB2 PRO 11 HB3 PRO 11 0.349 -7.180 -5.490 72 HB3 PRO 11 HB2 PRO 11 1.077 -6.611 -3.982 73 HG2 PRO 11 2HG PRO 11 -0.671 -8.991 -4.465 74 HG3 PRO 11 1HG PRO 11 0.805 -8.871 -3.491 75 HD2 PRO 11 2HD PRO 11 -1.636 -8.830 -2.354 76 HD3 PRO 11 1HD PRO 11 -0.296 -7.850 -1.724 77 H LYS 12 H LYS 12 -3.040 -7.772 -4.696 78 HA LYS 12 HA LYS 12 -3.258 -6.950 -7.416 79 HB2 LYS 12 HB3 LYS 12 -4.579 -9.030 -5.728 80 HB3 LYS 12 HB2 LYS 12 -4.800 -8.816 -7.454 81 HG2 LYS 12 2HG LYS 12 -2.392 -9.274 -7.790 82 HG3 LYS 12 1HG LYS 12 -2.222 -9.492 -6.054 83 HD2 LYS 12 2HD LYS 12 -3.781 -11.346 -6.131 84 HD3 LYS 12 1HD LYS 12 -3.940 -11.141 -7.883 85 HE2 LYS 12 2HE LYS 12 -1.552 -11.576 -8.143 86 HE3 LYS 12 1HE LYS 12 -1.407 -11.764 -6.393 87 HZ1 LYS 12 1HZ LYS 12 -3.021 -13.475 -8.187 88 HZ2 LYS 12 2HZ LYS 12 -2.844 -13.689 -6.515 89 HZ3 LYS 12 3HZ LYS 12 -1.522 -13.871 -7.549 90 H ASN 13 H ASN 13 -4.617 -6.392 -4.366 91 HA ASN 13 HA ASN 13 -6.754 -4.821 -5.621 92 HB2 ASN 13 HB3 ASN 13 -7.812 -6.775 -4.533 93 HB3 ASN 13 HB2 ASN 13 -7.037 -6.353 -3.013 94 HD21 ASN 13 HD21 ASN 13 -8.973 -6.092 -1.915 95 HD22 ASN 13 HD22 ASN 13 -10.065 -4.795 -2.217 96 H ASP 14 H ASP 14 -5.065 -3.256 -5.536 97 HA ASP 14 HA ASP 14 -4.301 -2.275 -2.930 98 HB2 ASP 14 HB3 ASP 14 -2.835 -2.175 -4.955 99 HB3 ASP 14 HB2 ASP 14 -3.913 -0.916 -5.587 100 H LYS 15 H LYS 15 -5.161 -0.663 -1.968 101 HA LYS 15 HA LYS 15 -7.385 0.792 -3.194 102 HB2 LYS 15 HB3 LYS 15 -7.360 -0.705 -0.596 103 HB3 LYS 15 HB2 LYS 15 -8.469 0.619 -0.887 104 HG2 LYS 15 2HG LYS 15 -8.284 -1.901 -2.548 105 HG3 LYS 15 1HG LYS 15 -9.479 -1.613 -1.283 106 HD2 LYS 15 2HD LYS 15 -10.333 0.322 -2.537 107 HD3 LYS 15 1HD LYS 15 -9.140 0.034 -3.800 108 HE2 LYS 15 2HE LYS 15 -10.131 -2.147 -4.247 109 HE3 LYS 15 1HE LYS 15 -11.314 -1.873 -2.971 110 HZ1 LYS 15 1HZ LYS 15 -11.028 -0.200 -5.409 111 HZ2 LYS 15 2HZ LYS 15 -12.203 -0.017 -4.221 112 HZ3 LYS 15 3HZ LYS 15 -12.191 -1.395 -5.191 113 H CYS 16 H CYS 16 -4.497 1.252 -2.362 114 HA CYS 16 HA CYS 16 -4.919 3.255 -0.332 115 HB2 CYS 16 HB3 CYS 16 -2.395 2.100 -1.529 116 HB3 CYS 16 HB2 CYS 16 -2.444 3.318 -0.252 117 H CYS 17 H CYS 17 -4.120 5.403 -0.644 118 HA CYS 17 HA CYS 17 -4.979 6.489 -3.007 119 HB2 CYS 17 HB3 CYS 17 -3.268 7.651 -0.823 120 HB3 CYS 17 HB2 CYS 17 -4.194 8.552 -2.012 121 H LYS 18 H LYS 18 -3.671 7.911 -4.289 122 HA LYS 18 HA LYS 18 -1.763 6.553 -5.737 123 HB2 LYS 18 HB3 LYS 18 -3.301 8.388 -6.525 124 HB3 LYS 18 HB2 LYS 18 -2.247 9.525 -5.713 125 HG2 LYS 18 2HG LYS 18 -1.790 9.499 -8.082 126 HG3 LYS 18 1HG LYS 18 -0.403 8.879 -7.187 127 HD2 LYS 18 2HD LYS 18 -0.848 7.558 -9.212 128 HD3 LYS 18 1HD LYS 18 -1.054 6.585 -7.760 129 HE2 LYS 18 2HE LYS 18 -3.456 6.798 -7.911 130 HE3 LYS 18 1HE LYS 18 -3.311 7.909 -9.272 131 HZ1 LYS 18 1HZ LYS 18 -2.365 6.111 -10.573 132 HZ2 LYS 18 2HZ LYS 18 -3.865 5.666 -10.000 133 HZ3 LYS 18 3HZ LYS 18 -2.475 5.054 -9.271 134 H ASN 19 H ASN 19 0.294 6.961 -6.042 135 HA ASN 19 HA ASN 19 2.451 7.361 -5.694 136 HB2 ASN 19 HB3 ASN 19 1.611 9.291 -3.523 137 HB3 ASN 19 HB2 ASN 19 3.291 8.933 -3.899 138 HD21 ASN 19 HD21 ASN 19 3.758 11.025 -4.494 139 HD22 ASN 19 HD22 ASN 19 3.161 11.736 -5.945 140 H TYR 20 H TYR 20 0.495 6.561 -3.061 141 HA TYR 20 HA TYR 20 2.571 5.004 -1.824 142 HB2 TYR 20 HB3 TYR 20 -0.398 5.036 -1.251 143 HB3 TYR 20 HB2 TYR 20 0.884 4.353 -0.273 144 HD1 TYR 20 1HD TYR 20 2.574 5.865 0.794 145 HD2 TYR 20 2HD TYR 20 -0.991 7.339 -0.975 146 HE1 TYR 20 1HE TYR 20 2.823 7.940 2.054 147 HE2 TYR 20 2HE TYR 20 -0.752 9.434 0.281 148 HH TYR 20 HH TYR 20 2.096 10.300 1.877 149 H THR 21 H THR 21 2.437 2.739 -1.750 150 HA THR 21 HA THR 21 0.626 1.428 -3.618 151 HB THR 21 HB THR 21 3.585 0.940 -3.747 152 HG1 THR 21 1HG THR 21 2.085 2.965 -4.788 153 HG21 THR 21 1HG2 THR 21 3.036 -0.094 -5.926 154 HG22 THR 21 2HG2 THR 21 1.330 0.266 -5.649 155 HG23 THR 21 3HG2 THR 21 2.179 -0.863 -4.592 156 H CYS 22 H CYS 22 0.301 -0.646 -3.072 157 HA CYS 22 HA CYS 22 0.805 -1.486 -0.429 158 HB2 CYS 22 HB3 CYS 22 -1.162 -2.159 -1.650 159 HB3 CYS 22 HB2 CYS 22 -0.156 -3.102 -2.770 160 H SER 23 H SER 23 2.259 -2.722 0.378 161 HA SER 23 HA SER 23 4.359 -3.780 -1.363 162 HB2 SER 23 HB3 SER 23 5.179 -2.311 0.401 163 HB3 SER 23 HB2 SER 23 4.279 -3.208 1.617 164 HG SER 23 HG SER 23 6.592 -3.672 1.442 165 H ARG 24 H ARG 24 4.623 -5.959 -1.481 166 HA ARG 24 HA ARG 24 2.690 -7.549 -0.015 167 HB2 ARG 24 HB3 ARG 24 2.987 -7.963 -2.471 168 HB3 ARG 24 HB2 ARG 24 4.638 -8.471 -2.155 169 HG2 ARG 24 2HG ARG 24 3.073 -10.371 -2.454 170 HG3 ARG 24 1HG ARG 24 3.862 -10.372 -0.872 171 HD2 ARG 24 2HD ARG 24 1.890 -9.405 0.149 172 HD3 ARG 24 1HD ARG 24 1.107 -9.273 -1.423 173 HE ARG 24 HE ARG 24 1.777 -11.925 -1.004 174 HH11 ARG 24 1HH1 ARG 24 -0.322 -9.508 0.492 175 HH12 ARG 24 2HH1 ARG 24 -1.551 -10.618 0.910 176 HH21 ARG 24 1HH2 ARG 24 0.114 -13.459 -0.427 177 HH22 ARG 24 2HH2 ARG 24 -1.274 -12.952 0.408 178 H ARG 25 H ARG 25 5.923 -6.655 -0.027 179 HA ARG 25 HA ARG 25 7.082 -8.723 1.504 180 HB2 ARG 25 HB3 ARG 25 8.310 -7.099 0.131 181 HB3 ARG 25 HB2 ARG 25 7.761 -5.806 1.183 182 HG2 ARG 25 2HG ARG 25 8.930 -6.969 3.043 183 HG3 ARG 25 1HG ARG 25 9.642 -8.035 1.819 184 HD2 ARG 25 2HD ARG 25 9.878 -5.039 1.954 185 HD3 ARG 25 1HD ARG 25 11.162 -6.191 2.317 186 HE ARG 25 HE ARG 25 10.826 -6.895 -0.094 187 HH11 ARG 25 1HH1 ARG 25 10.461 -3.568 1.054 188 HH12 ARG 25 2HH1 ARG 25 10.812 -2.844 -0.441 189 HH21 ARG 25 1HH2 ARG 25 11.353 -5.894 -2.167 190 HH22 ARG 25 2HH2 ARG 25 11.343 -4.199 -2.300 191 H ASP 26 H ASP 26 5.925 -5.458 2.235 192 HA ASP 26 HA ASP 26 6.110 -5.879 5.106 193 HB2 ASP 26 HB3 ASP 26 5.095 -3.476 3.567 194 HB3 ASP 26 HB2 ASP 26 5.401 -3.535 5.295 195 H ARG 27 H ARG 27 3.788 -6.081 2.622 196 HA ARG 27 HA ARG 27 1.705 -6.663 2.485 197 HB2 ARG 27 HB3 ARG 27 1.902 -7.284 5.435 198 HB3 ARG 27 HB2 ARG 27 0.555 -7.681 4.363 199 HG2 ARG 27 2HG ARG 27 1.863 -9.183 3.093 200 HG3 ARG 27 1HG ARG 27 3.354 -8.628 3.851 201 HD2 ARG 27 2HD ARG 27 1.110 -10.080 5.246 202 HD3 ARG 27 1HD ARG 27 2.625 -10.806 4.709 203 HE ARG 27 HE ARG 27 2.570 -8.607 6.669 204 HH11 ARG 27 1HH1 ARG 27 3.637 -11.882 5.765 205 HH12 ARG 27 2HH1 ARG 27 4.621 -12.058 7.140 206 HH21 ARG 27 1HH2 ARG 27 3.910 -8.912 8.549 207 HH22 ARG 27 2HH2 ARG 27 4.784 -10.357 8.745 208 H TRP 28 H TRP 28 2.651 -3.955 3.562 209 HA TRP 28 HA TRP 28 -0.039 -2.900 3.687 210 HB2 TRP 28 HB3 TRP 28 0.511 -1.269 5.424 211 HB3 TRP 28 HB2 TRP 28 0.741 -2.884 6.043 212 HD1 TRP 28 HD TRP 28 2.980 -0.048 4.578 213 HE1 TRP 28 1HE TRP 28 5.160 0.029 5.956 214 HE3 TRP 28 3HE TRP 28 2.098 -3.973 7.718 215 HZ2 TRP 28 2HZ TRP 28 6.329 -1.370 8.097 216 HZ3 TRP 28 3HZ TRP 28 3.797 -4.525 9.417 217 HH2 TRP 28 HH TRP 28 5.861 -3.250 9.594 218 H CYS 29 H CYS 29 -0.124 -0.601 3.065 219 HA CYS 29 HA CYS 29 1.462 -0.193 0.791 220 HB2 CYS 29 HB3 CYS 29 -0.648 1.341 2.227 221 HB3 CYS 29 HB2 CYS 29 0.112 1.909 0.745 222 H LYS 30 H LYS 30 3.059 1.256 0.489 223 HA LYS 30 HA LYS 30 3.686 3.134 2.621 224 HB2 LYS 30 HB3 LYS 30 5.834 1.696 1.083 225 HB3 LYS 30 HB2 LYS 30 5.969 2.733 2.455 226 HG2 LYS 30 2HG LYS 30 5.024 1.109 3.938 227 HG3 LYS 30 1HG LYS 30 4.678 0.029 2.589 228 HD2 LYS 30 2HD LYS 30 7.410 0.884 3.544 229 HD3 LYS 30 1HD LYS 30 6.672 -0.697 3.782 230 HE2 LYS 30 2HE LYS 30 6.578 -0.957 1.305 231 HE3 LYS 30 1HE LYS 30 7.471 0.553 1.154 232 HZ1 LYS 30 1HZ LYS 30 9.300 -0.468 2.391 233 HZ2 LYS 30 2HZ LYS 30 8.909 -1.318 0.988 234 HZ3 LYS 30 3HZ LYS 30 8.397 -1.915 2.478 235 H TYR 31 H TYR 31 5.461 4.667 1.602 236 HA TYR 31 HA TYR 31 4.200 5.721 -0.767 237 HB2 TYR 31 HB3 TYR 31 4.983 7.140 1.187 238 HB3 TYR 31 HB2 TYR 31 6.634 6.751 0.715 239 HD1 TYR 31 1HD TYR 31 3.545 8.441 -0.337 240 HD2 TYR 31 2HD TYR 31 7.687 7.900 -1.098 241 HE1 TYR 31 1HE TYR 31 3.482 10.310 -1.897 242 HE2 TYR 31 2HE TYR 31 7.645 9.778 -2.669 243 HH TYR 31 HH TYR 31 6.025 10.932 -4.053 244 H ASP 32 H ASP 32 4.854 5.163 -2.727 245 HA ASP 32 HA ASP 32 7.545 3.977 -2.984 246 HB2 ASP 32 HB3 ASP 32 5.722 2.340 -3.373 247 HB3 ASP 32 HB2 ASP 32 5.120 3.349 -4.680 248 H LEU 33 H LEU 33 5.150 5.840 -4.639 249 HA LEU 33 HA LEU 33 7.004 6.541 -6.769 250 HB2 LEU 33 HB3 LEU 33 4.225 7.594 -6.308 251 HB3 LEU 33 HB2 LEU 33 5.168 7.756 -7.760 252 HG LEU 33 HG LEU 33 4.059 5.150 -6.706 253 HD11 LEU 33 HD11 LEU 33 3.253 6.833 -9.065 254 HD12 LEU 33 HD12 LEU 33 2.329 6.638 -7.576 255 HD13 LEU 33 HD13 LEU 33 2.585 5.260 -8.641 256 HD21 LEU 33 HD21 LEU 33 5.555 5.773 -9.256 257 HD22 LEU 33 HD22 LEU 33 4.782 4.237 -8.870 258 HD23 LEU 33 HD23 LEU 33 6.146 4.798 -7.907 259 HN1 NH2 34 HN1 NH2 34 8.550 7.711 -5.652 260 HN2 NH2 34 HN2 NH2 34 8.264 9.314 -5.070 Start of MODEL 4 1 H1 ASP 1 1HT ASP 1 -13.339 8.393 -1.658 2 H2 ASP 1 2HT ASP 1 -13.316 6.700 -1.514 3 H3 ASP 1 3HT ASP 1 -12.290 7.451 -2.581 4 HA ASP 1 HA ASP 1 -11.060 8.445 -0.868 5 HB2 ASP 1 HB3 ASP 1 -13.132 7.212 0.920 6 HB3 ASP 1 HB2 ASP 1 -11.512 7.521 1.517 7 H CYS 2 H CYS 2 -9.555 7.201 0.655 8 HA CYS 2 HA CYS 2 -9.248 4.415 -0.173 9 HB2 CYS 2 HB3 CYS 2 -6.971 4.846 -0.823 10 HB3 CYS 2 HB2 CYS 2 -8.044 5.776 -1.861 11 H LEU 3 H LEU 3 -6.869 4.004 0.795 12 HA LEU 3 HA LEU 3 -7.048 4.497 3.650 13 HB2 LEU 3 HB3 LEU 3 -5.189 2.823 2.053 14 HB3 LEU 3 HB2 LEU 3 -5.536 2.704 3.767 15 HG LEU 3 HG LEU 3 -7.378 2.056 1.512 16 HD11 LEU 3 HD11 LEU 3 -7.072 -0.307 2.323 17 HD12 LEU 3 HD12 LEU 3 -5.854 0.282 3.460 18 HD13 LEU 3 HD13 LEU 3 -5.593 0.426 1.720 19 HD21 LEU 3 HD21 LEU 3 -8.850 1.074 3.254 20 HD22 LEU 3 HD22 LEU 3 -8.649 2.817 3.420 21 HD23 LEU 3 HD23 LEU 3 -7.771 1.722 4.494 22 H GLY 4 H GLY 4 -5.091 5.207 4.726 23 HA2 GLY 4 2HA GLY 4 -3.224 6.735 3.124 24 HA3 GLY 4 1HA GLY 4 -3.231 6.571 4.890 25 H TRP 5 H TRP 5 -0.717 6.091 3.954 26 HA TRP 5 HA TRP 5 -0.754 3.413 3.257 27 HB2 TRP 5 HB3 TRP 5 1.348 3.665 2.591 28 HB3 TRP 5 HB2 TRP 5 0.774 5.275 2.391 29 HD1 TRP 5 HD TRP 5 3.301 3.240 4.336 30 HE1 TRP 5 1HE TRP 5 4.989 4.772 5.384 31 HE3 TRP 5 3HE TRP 5 0.928 7.632 3.459 32 HZ2 TRP 5 2HZ TRP 5 5.290 7.589 5.859 33 HZ3 TRP 5 3HZ TRP 5 1.957 9.720 4.247 34 HH2 TRP 5 HH TRP 5 4.103 9.699 5.427 35 H PHE 6 H PHE 6 1.099 2.190 4.430 36 HA PHE 6 HA PHE 6 1.693 0.894 6.158 37 HB2 PHE 6 HB3 PHE 6 1.903 3.265 7.364 38 HB3 PHE 6 HB2 PHE 6 0.475 2.726 8.230 39 HD1 PHE 6 1HD PHE 6 4.023 2.529 7.934 40 HD2 PHE 6 2HD PHE 6 0.643 0.582 9.607 41 HE1 PHE 6 1HE PHE 6 5.499 1.296 9.476 42 HE2 PHE 6 2HE PHE 6 2.108 -0.651 11.154 43 HZ PHE 6 HZ PHE 6 4.546 -0.289 11.080 44 H LYS 7 H LYS 7 -1.325 1.452 5.134 45 HA LYS 7 HA LYS 7 -2.663 -0.234 7.030 46 HB2 LYS 7 HB3 LYS 7 -3.717 1.041 4.536 47 HB3 LYS 7 HB2 LYS 7 -4.614 0.433 5.906 48 HG2 LYS 7 2HG LYS 7 -2.756 2.760 6.080 49 HG3 LYS 7 1HG LYS 7 -4.477 2.919 5.786 50 HD2 LYS 7 2HD LYS 7 -4.897 1.775 7.945 51 HD3 LYS 7 1HD LYS 7 -3.149 1.668 8.190 52 HE2 LYS 7 2HE LYS 7 -4.663 4.221 7.802 53 HE3 LYS 7 1HE LYS 7 -4.237 3.564 9.383 54 HZ1 LYS 7 1HZ LYS 7 -2.188 4.254 7.305 55 HZ2 LYS 7 2HZ LYS 7 -1.930 3.906 8.932 56 HZ3 LYS 7 3HZ LYS 7 -2.722 5.311 8.485 57 H SER 8 H SER 8 -3.501 -2.101 6.375 58 HA SER 8 HA SER 8 -2.078 -3.752 4.671 59 HB2 SER 8 HB3 SER 8 -4.809 -4.071 5.899 60 HB3 SER 8 HB2 SER 8 -3.784 -5.357 5.266 61 HG SER 8 HG SER 8 -2.781 -5.386 7.031 62 H CYS 9 H CYS 9 -2.665 -4.676 2.678 63 HA CYS 9 HA CYS 9 -4.974 -3.682 1.325 64 HB2 CYS 9 HB3 CYS 9 -3.470 -3.143 -0.617 65 HB3 CYS 9 HB2 CYS 9 -3.460 -1.994 0.711 66 H ASP 10 H ASP 10 -4.690 -4.619 -1.049 67 HA ASP 10 HA ASP 10 -3.722 -7.386 -0.843 68 HB2 ASP 10 HB3 ASP 10 -6.223 -7.210 -1.128 69 HB3 ASP 10 HB2 ASP 10 -5.951 -6.322 -2.623 70 HA PRO 11 HA PRO 11 -0.823 -5.784 -3.708 71 HB2 PRO 11 HB3 PRO 11 -0.057 -8.117 -4.938 72 HB3 PRO 11 HB2 PRO 11 0.548 -7.579 -3.366 73 HG2 PRO 11 2HG PRO 11 -1.613 -9.538 -4.006 74 HG3 PRO 11 1HG PRO 11 -0.357 -9.628 -2.759 75 HD2 PRO 11 2HD PRO 11 -2.885 -8.941 -2.179 76 HD3 PRO 11 1HD PRO 11 -1.504 -8.210 -1.330 77 H LYS 12 H LYS 12 -3.448 -7.823 -4.936 78 HA LYS 12 HA LYS 12 -2.927 -7.012 -7.621 79 HB2 LYS 12 HB3 LYS 12 -3.671 -9.291 -6.803 80 HB3 LYS 12 HB2 LYS 12 -5.239 -8.562 -6.517 81 HG2 LYS 12 2HG LYS 12 -5.262 -9.677 -8.621 82 HG3 LYS 12 1HG LYS 12 -5.338 -7.928 -8.899 83 HD2 LYS 12 2HD LYS 12 -2.925 -7.933 -9.245 84 HD3 LYS 12 1HD LYS 12 -2.914 -9.673 -9.035 85 HE2 LYS 12 2HE LYS 12 -4.381 -8.153 -11.210 86 HE3 LYS 12 1HE LYS 12 -2.917 -9.101 -11.427 87 HZ1 LYS 12 1HZ LYS 12 -5.568 -10.181 -10.609 88 HZ2 LYS 12 2HZ LYS 12 -4.160 -11.094 -10.819 89 HZ3 LYS 12 3HZ LYS 12 -4.858 -10.330 -12.127 90 H ASN 13 H ASN 13 -4.718 -6.019 -4.915 91 HA ASN 13 HA ASN 13 -6.226 -4.123 -6.517 92 HB2 ASN 13 HB3 ASN 13 -7.762 -5.983 -6.046 93 HB3 ASN 13 HB2 ASN 13 -7.442 -5.806 -4.329 94 HD21 ASN 13 HD21 ASN 13 -8.283 -4.038 -3.229 95 HD22 ASN 13 HD22 ASN 13 -9.570 -3.069 -3.852 96 H ASP 14 H ASP 14 -4.780 -2.727 -5.865 97 HA ASP 14 HA ASP 14 -4.067 -2.082 -3.208 98 HB2 ASP 14 HB3 ASP 14 -2.949 -1.357 -5.331 99 HB3 ASP 14 HB2 ASP 14 -4.274 -0.179 -5.496 100 H LYS 15 H LYS 15 -4.977 -0.763 -1.840 101 HA LYS 15 HA LYS 15 -7.756 0.089 -2.359 102 HB2 LYS 15 HB3 LYS 15 -6.462 -0.924 0.159 103 HB3 LYS 15 HB2 LYS 15 -8.086 -0.270 0.062 104 HG2 LYS 15 2HG LYS 15 -8.797 -2.112 -1.319 105 HG3 LYS 15 1HG LYS 15 -7.140 -2.700 -1.452 106 HD2 LYS 15 2HD LYS 15 -8.421 -4.021 0.168 107 HD3 LYS 15 1HD LYS 15 -7.100 -3.162 0.949 108 HE2 LYS 15 2HE LYS 15 -9.085 -3.029 2.331 109 HE3 LYS 15 1HE LYS 15 -8.702 -1.435 1.708 110 HZ1 LYS 15 1HZ LYS 15 -11.054 -1.889 1.592 111 HZ2 LYS 15 2HZ LYS 15 -10.824 -3.246 0.672 112 HZ3 LYS 15 3HZ LYS 15 -10.463 -1.725 0.033 113 H CYS 16 H CYS 16 -4.778 1.294 -2.111 114 HA CYS 16 HA CYS 16 -5.439 3.433 -0.267 115 HB2 CYS 16 HB3 CYS 16 -2.781 2.454 -1.340 116 HB3 CYS 16 HB2 CYS 16 -3.012 3.710 -0.123 117 H CYS 17 H CYS 17 -4.410 5.579 -1.052 118 HA CYS 17 HA CYS 17 -5.248 5.991 -3.660 119 HB2 CYS 17 HB3 CYS 17 -4.076 7.693 -1.519 120 HB3 CYS 17 HB2 CYS 17 -4.177 8.326 -3.148 121 H LYS 18 H LYS 18 -3.521 7.527 -4.958 122 HA LYS 18 HA LYS 18 -1.366 5.701 -5.540 123 HB2 LYS 18 HB3 LYS 18 -2.904 6.832 -7.272 124 HB3 LYS 18 HB2 LYS 18 -1.995 8.292 -6.955 125 HG2 LYS 18 2HG LYS 18 -1.232 7.139 -8.979 126 HG3 LYS 18 1HG LYS 18 0.048 7.253 -7.781 127 HD2 LYS 18 2HD LYS 18 0.037 5.048 -8.844 128 HD3 LYS 18 1HD LYS 18 -0.368 4.892 -7.141 129 HE2 LYS 18 2HE LYS 18 -2.754 4.739 -7.744 130 HE3 LYS 18 1HE LYS 18 -2.332 4.898 -9.443 131 HZ1 LYS 18 1HZ LYS 18 -1.118 2.813 -9.310 132 HZ2 LYS 18 2HZ LYS 18 -2.713 2.606 -8.794 133 HZ3 LYS 18 3HZ LYS 18 -1.471 2.679 -7.661 134 H ASN 19 H ASN 19 0.661 6.921 -6.201 135 HA ASN 19 HA ASN 19 2.642 7.786 -5.517 136 HB2 ASN 19 HB3 ASN 19 1.049 9.289 -3.401 137 HB3 ASN 19 HB2 ASN 19 2.800 9.393 -3.576 138 HD21 ASN 19 HD21 ASN 19 -0.268 10.257 -4.944 139 HD22 ASN 19 HD22 ASN 19 0.330 11.444 -6.046 140 H TYR 20 H TYR 20 0.481 6.704 -3.151 141 HA TYR 20 HA TYR 20 2.474 5.168 -1.727 142 HB2 TYR 20 HB3 TYR 20 -0.514 5.019 -1.409 143 HB3 TYR 20 HB2 TYR 20 0.745 4.698 -0.233 144 HD1 TYR 20 1HD TYR 20 -1.514 7.129 -1.535 145 HD2 TYR 20 2HD TYR 20 2.062 6.691 0.711 146 HE1 TYR 20 1HE TYR 20 -1.791 9.397 -0.690 147 HE2 TYR 20 2HE TYR 20 1.799 8.972 1.573 148 HH TYR 20 HH TYR 20 0.699 11.020 1.040 149 H THR 21 H THR 21 2.419 2.889 -1.929 150 HA THR 21 HA THR 21 0.463 1.770 -3.712 151 HB THR 21 HB THR 21 2.254 2.364 -5.105 152 HG1 THR 21 1HG THR 21 2.551 0.395 -6.114 153 HG21 THR 21 1HG2 THR 21 4.042 0.625 -3.401 154 HG22 THR 21 2HG2 THR 21 4.146 2.374 -3.598 155 HG23 THR 21 3HG2 THR 21 4.516 1.311 -4.956 156 H CYS 22 H CYS 22 0.117 -0.243 -3.442 157 HA CYS 22 HA CYS 22 0.528 -1.331 -0.854 158 HB2 CYS 22 HB3 CYS 22 -1.494 -1.789 -2.108 159 HB3 CYS 22 HB2 CYS 22 -0.551 -2.710 -3.302 160 H SER 23 H SER 23 1.906 -2.687 -0.151 161 HA SER 23 HA SER 23 3.811 -3.904 -2.006 162 HB2 SER 23 HB3 SER 23 4.832 -2.188 -0.563 163 HB3 SER 23 HB2 SER 23 4.205 -2.996 0.861 164 HG SER 23 HG SER 23 6.394 -3.540 0.470 165 H ARG 24 H ARG 24 4.029 -6.090 -1.839 166 HA ARG 24 HA ARG 24 2.271 -7.488 0.013 167 HB2 ARG 24 HB3 ARG 24 2.737 -8.083 -2.512 168 HB3 ARG 24 HB2 ARG 24 4.224 -8.771 -1.899 169 HG2 ARG 24 2HG ARG 24 1.431 -9.654 -1.144 170 HG3 ARG 24 1HG ARG 24 2.491 -10.463 -2.283 171 HD2 ARG 24 2HD ARG 24 2.941 -10.132 0.686 172 HD3 ARG 24 1HD ARG 24 2.469 -11.616 -0.131 173 HE ARG 24 HE ARG 24 4.806 -10.931 -1.323 174 HH11 ARG 24 1HH1 ARG 24 3.831 -11.475 2.069 175 HH12 ARG 24 2HH1 ARG 24 5.350 -11.980 2.594 176 HH21 ARG 24 1HH2 ARG 24 6.984 -11.639 -0.541 177 HH22 ARG 24 2HH2 ARG 24 7.168 -12.075 1.093 178 H ARG 25 H ARG 25 5.536 -6.801 -0.683 179 HA ARG 25 HA ARG 25 6.992 -8.504 0.968 180 HB2 ARG 25 HB3 ARG 25 7.917 -7.077 -0.809 181 HB3 ARG 25 HB2 ARG 25 7.540 -5.658 0.146 182 HG2 ARG 25 2HG ARG 25 9.019 -6.508 1.909 183 HG3 ARG 25 1HG ARG 25 9.499 -7.810 0.813 184 HD2 ARG 25 2HD ARG 25 10.311 -6.150 -0.799 185 HD3 ARG 25 1HD ARG 25 9.819 -4.852 0.288 186 HE ARG 25 HE ARG 25 11.737 -6.849 1.212 187 HH11 ARG 25 1HH1 ARG 25 11.128 -3.476 0.320 188 HH12 ARG 25 2HH1 ARG 25 12.569 -2.892 0.977 189 HH21 ARG 25 1HH2 ARG 25 13.703 -6.049 2.105 190 HH22 ARG 25 2HH2 ARG 25 14.079 -4.387 2.006 191 H ASP 26 H ASP 26 5.828 -5.237 1.490 192 HA ASP 26 HA ASP 26 6.590 -5.286 4.287 193 HB2 ASP 26 HB3 ASP 26 5.171 -3.130 2.712 194 HB3 ASP 26 HB2 ASP 26 5.783 -2.970 4.350 195 H ARG 27 H ARG 27 3.883 -6.018 2.371 196 HA ARG 27 HA ARG 27 1.905 -6.883 2.785 197 HB2 ARG 27 HB3 ARG 27 2.546 -6.527 5.700 198 HB3 ARG 27 HB2 ARG 27 1.167 -7.377 5.002 199 HG2 ARG 27 2HG ARG 27 2.525 -9.094 4.138 200 HG3 ARG 27 1HG ARG 27 4.002 -8.166 4.428 201 HD2 ARG 27 2HD ARG 27 3.721 -9.906 6.126 202 HD3 ARG 27 1HD ARG 27 3.628 -8.288 6.808 203 HE ARG 27 HE ARG 27 1.091 -9.392 6.106 204 HH11 ARG 27 1HH1 ARG 27 3.539 -9.161 8.645 205 HH12 ARG 27 2HH1 ARG 27 2.449 -9.459 9.932 206 HH21 ARG 27 1HH2 ARG 27 -0.408 -9.772 7.842 207 HH22 ARG 27 2HH2 ARG 27 0.134 -9.808 9.456 208 H TRP 28 H TRP 28 2.639 -3.846 3.040 209 HA TRP 28 HA TRP 28 -0.111 -3.024 3.175 210 HB2 TRP 28 HB3 TRP 28 0.348 -1.211 4.832 211 HB3 TRP 28 HB2 TRP 28 0.347 -2.824 5.509 212 HD1 TRP 28 HD TRP 28 2.928 -0.153 4.385 213 HE1 TRP 28 1HE TRP 28 4.964 -0.322 6.006 214 HE3 TRP 28 3HE TRP 28 1.468 -4.172 7.117 215 HZ2 TRP 28 2HZ TRP 28 5.799 -1.959 8.130 216 HZ3 TRP 28 3HZ TRP 28 2.914 -4.987 8.920 217 HH2 TRP 28 HH TRP 28 5.046 -3.902 9.413 218 H CYS 29 H CYS 29 -0.285 -0.620 2.776 219 HA CYS 29 HA CYS 29 1.137 -0.023 0.433 220 HB2 CYS 29 HB3 CYS 29 -0.782 1.386 2.202 221 HB3 CYS 29 HB2 CYS 29 -0.182 2.097 0.702 222 H LYS 30 H LYS 30 2.824 1.362 0.208 223 HA LYS 30 HA LYS 30 3.533 3.150 2.406 224 HB2 LYS 30 HB3 LYS 30 5.462 1.332 0.975 225 HB3 LYS 30 HB2 LYS 30 5.896 2.665 2.008 226 HG2 LYS 30 2HG LYS 30 5.031 1.578 3.935 227 HG3 LYS 30 1HG LYS 30 4.248 0.351 2.937 228 HD2 LYS 30 2HD LYS 30 6.225 -0.568 3.935 229 HD3 LYS 30 1HD LYS 30 6.439 -0.432 2.198 230 HE2 LYS 30 2HE LYS 30 7.666 1.733 2.649 231 HE3 LYS 30 1HE LYS 30 7.615 1.299 4.358 232 HZ1 LYS 30 1HZ LYS 30 9.672 0.511 3.508 233 HZ2 LYS 30 2HZ LYS 30 8.917 -0.106 2.152 234 HZ3 LYS 30 3HZ LYS 30 8.679 -0.881 3.619 235 H TYR 31 H TYR 31 5.210 4.751 1.613 236 HA TYR 31 HA TYR 31 4.260 5.752 -0.933 237 HB2 TYR 31 HB3 TYR 31 4.498 7.237 1.068 238 HB3 TYR 31 HB2 TYR 31 6.229 6.938 1.043 239 HD1 TYR 31 1HD TYR 31 7.632 7.927 -0.739 240 HD2 TYR 31 2HD TYR 31 3.461 8.737 -0.496 241 HE1 TYR 31 1HE TYR 31 7.923 9.843 -2.237 242 HE2 TYR 31 2HE TYR 31 3.742 10.649 -1.996 243 HH TYR 31 HH TYR 31 6.478 11.173 -3.836 244 H ASP 32 H ASP 32 5.245 5.020 -2.661 245 HA ASP 32 HA ASP 32 8.175 4.820 -2.637 246 HB2 ASP 32 HB3 ASP 32 7.328 2.555 -2.317 247 HB3 ASP 32 HB2 ASP 32 6.344 2.705 -3.761 248 H LEU 33 H LEU 33 5.292 5.533 -4.290 249 HA LEU 33 HA LEU 33 6.659 5.781 -6.818 250 HB2 LEU 33 HB3 LEU 33 3.781 6.280 -6.078 251 HB3 LEU 33 HB2 LEU 33 4.433 6.274 -7.707 252 HG LEU 33 HG LEU 33 4.296 3.887 -5.865 253 HD11 LEU 33 HD11 LEU 33 2.559 3.091 -7.384 254 HD12 LEU 33 HD12 LEU 33 2.630 4.622 -8.260 255 HD13 LEU 33 HD13 LEU 33 2.095 4.590 -6.581 256 HD21 LEU 33 HD21 LEU 33 5.106 4.106 -8.768 257 HD22 LEU 33 HD22 LEU 33 4.890 2.601 -7.877 258 HD23 LEU 33 HD23 LEU 33 6.171 3.720 -7.415 259 HN1 NH2 34 HN1 NH2 34 8.027 7.451 -6.204 260 HN2 NH2 34 HN2 NH2 34 7.493 9.085 -6.007 Start of MODEL 5 1 H1 ASP 1 1HT ASP 1 -14.368 5.698 0.687 2 H2 ASP 1 2HT ASP 1 -13.259 4.578 1.368 3 H3 ASP 1 3HT ASP 1 -13.699 4.443 -0.215 4 HA ASP 1 HA ASP 1 -12.551 6.376 -0.867 5 HB2 ASP 1 HB3 ASP 1 -11.847 6.586 2.081 6 HB3 ASP 1 HB2 ASP 1 -11.131 7.559 0.805 7 H CYS 2 H CYS 2 -9.923 6.522 -0.455 8 HA CYS 2 HA CYS 2 -9.183 3.747 -0.163 9 HB2 CYS 2 HB3 CYS 2 -7.079 4.423 -1.237 10 HB3 CYS 2 HB2 CYS 2 -8.486 4.377 -2.280 11 H LEU 3 H LEU 3 -6.945 3.464 0.598 12 HA LEU 3 HA LEU 3 -6.884 4.526 3.277 13 HB2 LEU 3 HB3 LEU 3 -5.051 2.548 2.019 14 HB3 LEU 3 HB2 LEU 3 -5.517 2.721 3.696 15 HG LEU 3 HG LEU 3 -7.370 1.897 1.517 16 HD11 LEU 3 HD11 LEU 3 -7.110 -0.413 2.459 17 HD12 LEU 3 HD12 LEU 3 -5.833 0.195 3.520 18 HD13 LEU 3 HD13 LEU 3 -5.619 0.216 1.770 19 HD21 LEU 3 HD21 LEU 3 -7.628 1.782 4.530 20 HD22 LEU 3 HD22 LEU 3 -8.795 1.110 3.395 21 HD23 LEU 3 HD23 LEU 3 -8.511 2.848 3.436 22 H GLY 4 H GLY 4 -5.002 5.395 4.195 23 HA2 GLY 4 2HA GLY 4 -3.059 6.617 2.451 24 HA3 GLY 4 1HA GLY 4 -3.147 6.747 4.222 25 H TRP 5 H TRP 5 -0.624 6.100 3.315 26 HA TRP 5 HA TRP 5 -0.680 3.352 3.045 27 HB2 TRP 5 HB3 TRP 5 1.358 3.501 2.195 28 HB3 TRP 5 HB2 TRP 5 0.716 5.038 1.763 29 HD1 TRP 5 HD TRP 5 3.441 3.420 3.818 30 HE1 TRP 5 1HE TRP 5 5.188 5.091 4.388 31 HE3 TRP 5 3HE TRP 5 0.895 7.585 2.386 32 HZ2 TRP 5 2HZ TRP 5 5.460 7.984 4.336 33 HZ3 TRP 5 3HZ TRP 5 1.963 9.789 2.699 34 HH2 TRP 5 HH TRP 5 4.199 9.975 3.655 35 H PHE 6 H PHE 6 1.362 2.384 4.194 36 HA PHE 6 HA PHE 6 2.175 1.368 5.957 37 HB2 PHE 6 HB3 PHE 6 2.551 3.779 6.823 38 HB3 PHE 6 HB2 PHE 6 1.140 3.503 7.840 39 HD1 PHE 6 1HD PHE 6 1.457 2.552 9.967 40 HD2 PHE 6 2HD PHE 6 4.375 1.971 6.943 41 HE1 PHE 6 1HE PHE 6 2.892 1.364 11.579 42 HE2 PHE 6 2HE PHE 6 5.808 0.795 8.529 43 HZ PHE 6 HZ PHE 6 5.099 0.471 10.823 44 H LYS 7 H LYS 7 -0.963 1.721 5.338 45 HA LYS 7 HA LYS 7 -1.984 0.187 7.544 46 HB2 LYS 7 HB3 LYS 7 -3.344 0.975 4.987 47 HB3 LYS 7 HB2 LYS 7 -4.066 0.516 6.511 48 HG2 LYS 7 2HG LYS 7 -2.436 2.989 6.195 49 HG3 LYS 7 1HG LYS 7 -4.180 2.949 5.982 50 HD2 LYS 7 2HD LYS 7 -4.451 2.187 8.276 51 HD3 LYS 7 1HD LYS 7 -2.698 2.109 8.473 52 HE2 LYS 7 2HE LYS 7 -4.234 4.586 7.791 53 HE3 LYS 7 1HE LYS 7 -3.729 4.156 9.426 54 HZ1 LYS 7 1HZ LYS 7 -1.438 4.239 8.712 55 HZ2 LYS 7 2HZ LYS 7 -2.181 5.697 8.389 56 HZ3 LYS 7 3HZ LYS 7 -1.866 4.632 7.128 57 H SER 8 H SER 8 -2.644 -1.825 7.220 58 HA SER 8 HA SER 8 -1.255 -3.502 5.466 59 HB2 SER 8 HB3 SER 8 -3.698 -4.006 7.162 60 HB3 SER 8 HB2 SER 8 -2.615 -5.217 6.484 61 HG SER 8 HG SER 8 -2.163 -3.381 8.559 62 H CYS 9 H CYS 9 -1.895 -4.319 3.487 63 HA CYS 9 HA CYS 9 -4.599 -4.023 2.687 64 HB2 CYS 9 HB3 CYS 9 -3.763 -3.053 0.499 65 HB3 CYS 9 HB2 CYS 9 -3.833 -1.948 1.867 66 H ASP 10 H ASP 10 -4.564 -4.792 0.285 67 HA ASP 10 HA ASP 10 -2.916 -7.195 0.026 68 HB2 ASP 10 HB3 ASP 10 -5.283 -7.736 0.586 69 HB3 ASP 10 HB2 ASP 10 -5.805 -6.766 -0.781 70 HA PRO 11 HA PRO 11 -1.913 -4.517 -3.390 71 HB2 PRO 11 HB3 PRO 11 0.013 -6.103 -4.499 72 HB3 PRO 11 HB2 PRO 11 0.297 -5.047 -3.111 73 HG2 PRO 11 2HG PRO 11 -0.203 -7.980 -3.192 74 HG3 PRO 11 1HG PRO 11 0.903 -7.041 -2.168 75 HD2 PRO 11 2HD PRO 11 -1.487 -7.984 -1.302 76 HD3 PRO 11 1HD PRO 11 -0.735 -6.503 -0.669 77 H LYS 12 H LYS 12 -2.943 -7.812 -3.630 78 HA LYS 12 HA LYS 12 -3.114 -7.794 -6.421 79 HB2 LYS 12 HB3 LYS 12 -2.851 -9.811 -4.884 80 HB3 LYS 12 HB2 LYS 12 -4.567 -9.652 -4.545 81 HG2 LYS 12 2HG LYS 12 -4.129 -11.338 -6.253 82 HG3 LYS 12 1HG LYS 12 -5.067 -9.985 -6.905 83 HD2 LYS 12 2HD LYS 12 -3.061 -8.996 -7.808 84 HD3 LYS 12 1HD LYS 12 -2.092 -10.292 -7.123 85 HE2 LYS 12 2HE LYS 12 -3.214 -11.893 -8.574 86 HE3 LYS 12 1HE LYS 12 -4.264 -10.617 -9.194 87 HZ1 LYS 12 1HZ LYS 12 -2.421 -11.067 -10.705 88 HZ2 LYS 12 2HZ LYS 12 -1.311 -10.682 -9.487 89 HZ3 LYS 12 3HZ LYS 12 -2.317 -9.504 -10.092 90 H ASN 13 H ASN 13 -5.187 -6.904 -3.795 91 HA ASN 13 HA ASN 13 -6.987 -5.680 -5.743 92 HB2 ASN 13 HB3 ASN 13 -8.149 -7.683 -4.796 93 HB3 ASN 13 HB2 ASN 13 -7.936 -7.005 -3.187 94 HD21 ASN 13 HD21 ASN 13 -10.112 -6.820 -2.766 95 HD22 ASN 13 HD22 ASN 13 -11.146 -5.692 -3.568 96 H ASP 14 H ASP 14 -5.644 -3.982 -5.373 97 HA ASP 14 HA ASP 14 -4.931 -2.863 -2.943 98 HB2 ASP 14 HB3 ASP 14 -3.639 -2.262 -4.731 99 HB3 ASP 14 HB2 ASP 14 -5.047 -1.851 -5.722 100 H LYS 15 H LYS 15 -5.617 -1.312 -1.740 101 HA LYS 15 HA LYS 15 -8.189 -0.062 -2.283 102 HB2 LYS 15 HB3 LYS 15 -7.261 -1.349 0.263 103 HB3 LYS 15 HB2 LYS 15 -8.608 -0.237 0.171 104 HG2 LYS 15 2HG LYS 15 -8.438 -2.840 -1.344 105 HG3 LYS 15 1HG LYS 15 -9.250 -2.654 0.210 106 HD2 LYS 15 2HD LYS 15 -10.752 -0.984 -0.822 107 HD3 LYS 15 1HD LYS 15 -9.955 -1.252 -2.375 108 HE2 LYS 15 2HE LYS 15 -10.634 -3.590 -2.331 109 HE3 LYS 15 1HE LYS 15 -11.392 -3.349 -0.759 110 HZ1 LYS 15 1HZ LYS 15 -13.000 -3.302 -2.548 111 HZ2 LYS 15 2HZ LYS 15 -12.210 -2.015 -3.284 112 HZ3 LYS 15 3HZ LYS 15 -12.944 -1.799 -1.789 113 H CYS 16 H CYS 16 -4.927 0.560 -1.883 114 HA CYS 16 HA CYS 16 -5.531 2.836 -0.205 115 HB2 CYS 16 HB3 CYS 16 -3.091 3.159 0.116 116 HB3 CYS 16 HB2 CYS 16 -3.605 1.572 0.647 117 H CYS 17 H CYS 17 -4.440 4.961 -0.918 118 HA CYS 17 HA CYS 17 -5.513 5.469 -3.421 119 HB2 CYS 17 HB3 CYS 17 -3.707 7.153 -1.697 120 HB3 CYS 17 HB2 CYS 17 -4.762 7.705 -2.990 121 H LYS 18 H LYS 18 -4.249 6.627 -5.064 122 HA LYS 18 HA LYS 18 -2.139 4.989 -5.984 123 HB2 LYS 18 HB3 LYS 18 -3.895 6.001 -7.415 124 HB3 LYS 18 HB2 LYS 18 -3.199 7.578 -7.098 125 HG2 LYS 18 2HG LYS 18 -1.294 7.131 -8.368 126 HG3 LYS 18 1HG LYS 18 -1.543 5.384 -8.295 127 HD2 LYS 18 2HD LYS 18 -2.108 6.195 -10.490 128 HD3 LYS 18 1HD LYS 18 -3.525 5.612 -9.606 129 HE2 LYS 18 2HE LYS 18 -4.064 7.968 -9.013 130 HE3 LYS 18 1HE LYS 18 -2.727 8.497 -10.034 131 HZ1 LYS 18 1HZ LYS 18 -4.818 8.631 -11.219 132 HZ2 LYS 18 2HZ LYS 18 -5.132 7.007 -10.934 133 HZ3 LYS 18 3HZ LYS 18 -3.859 7.444 -11.923 134 H ASN 19 H ASN 19 -0.206 6.075 -6.805 135 HA ASN 19 HA ASN 19 1.810 7.127 -6.519 136 HB2 ASN 19 HB3 ASN 19 0.770 9.317 -6.276 137 HB3 ASN 19 HB2 ASN 19 0.257 8.947 -4.641 138 HD21 ASN 19 HD21 ASN 19 1.653 9.285 -2.987 139 HD22 ASN 19 HD22 ASN 19 3.198 10.033 -3.180 140 H TYR 20 H TYR 20 0.019 5.977 -3.932 141 HA TYR 20 HA TYR 20 2.391 4.994 -2.578 142 HB2 TYR 20 HB3 TYR 20 -0.498 4.568 -1.837 143 HB3 TYR 20 HB2 TYR 20 0.928 4.448 -0.831 144 HD1 TYR 20 1HD TYR 20 2.290 6.952 -1.014 145 HD2 TYR 20 2HD TYR 20 -1.881 6.209 -1.116 146 HE1 TYR 20 1HE TYR 20 1.873 9.225 -0.203 147 HE2 TYR 20 2HE TYR 20 -2.313 8.492 -0.307 148 HH TYR 20 HH TYR 20 -1.026 10.233 1.029 149 H THR 21 H THR 21 2.554 2.671 -2.489 150 HA THR 21 HA THR 21 0.648 1.262 -4.149 151 HB THR 21 HB THR 21 2.572 1.649 -5.501 152 HG1 THR 21 1HG THR 21 1.911 -0.201 -6.209 153 HG21 THR 21 1HG2 THR 21 4.784 0.613 -5.000 154 HG22 THR 21 2HG2 THR 21 4.172 0.162 -3.410 155 HG23 THR 21 3HG2 THR 21 4.337 1.864 -3.839 156 H CYS 22 H CYS 22 0.470 -0.860 -3.674 157 HA CYS 22 HA CYS 22 0.866 -1.291 -0.829 158 HB2 CYS 22 HB3 CYS 22 -1.396 -1.571 -1.660 159 HB3 CYS 22 HB2 CYS 22 -0.848 -2.893 -2.711 160 H SER 23 H SER 23 2.049 -2.762 0.031 161 HA SER 23 HA SER 23 3.891 -4.126 -1.769 162 HB2 SER 23 HB3 SER 23 4.933 -2.617 -0.185 163 HB3 SER 23 HB2 SER 23 4.097 -3.372 1.160 164 HG SER 23 HG SER 23 6.398 -3.965 0.642 165 H ARG 24 H ARG 24 4.248 -6.275 -1.639 166 HA ARG 24 HA ARG 24 2.372 -7.856 -0.026 167 HB2 ARG 24 HB3 ARG 24 2.530 -8.175 -2.580 168 HB3 ARG 24 HB2 ARG 24 4.121 -8.833 -2.287 169 HG2 ARG 24 2HG ARG 24 2.437 -10.595 -2.605 170 HG3 ARG 24 1HG ARG 24 3.176 -10.666 -1.003 171 HD2 ARG 24 2HD ARG 24 1.260 -9.869 0.055 172 HD3 ARG 24 1HD ARG 24 0.627 -9.148 -1.419 173 HE ARG 24 HE ARG 24 0.812 -11.998 -1.555 174 HH11 ARG 24 1HH1 ARG 24 -1.186 -9.466 -0.120 175 HH12 ARG 24 2HH1 ARG 24 -2.684 -10.152 -0.540 176 HH21 ARG 24 1HH2 ARG 24 -1.261 -13.064 -2.025 177 HH22 ARG 24 2HH2 ARG 24 -2.724 -12.288 -1.606 178 H ARG 25 H ARG 25 5.581 -6.887 -0.430 179 HA ARG 25 HA ARG 25 6.873 -9.048 0.931 180 HB2 ARG 25 HB3 ARG 25 7.966 -7.584 -0.760 181 HB3 ARG 25 HB2 ARG 25 7.809 -6.239 0.361 182 HG2 ARG 25 2HG ARG 25 9.067 -7.678 1.997 183 HG3 ARG 25 1HG ARG 25 9.482 -8.687 0.603 184 HD2 ARG 25 2HD ARG 25 11.269 -7.111 0.945 185 HD3 ARG 25 1HD ARG 25 10.380 -6.640 -0.508 186 HE ARG 25 HE ARG 25 9.224 -5.248 1.577 187 HH11 ARG 25 1HH1 ARG 25 12.393 -5.344 0.026 188 HH12 ARG 25 2HH1 ARG 25 12.810 -3.751 0.490 189 HH21 ARG 25 1HH2 ARG 25 9.782 -3.163 2.255 190 HH22 ARG 25 2HH2 ARG 25 11.283 -2.473 1.802 191 H ASP 26 H ASP 26 6.009 -5.704 1.584 192 HA ASP 26 HA ASP 26 6.692 -5.908 4.409 193 HB2 ASP 26 HB3 ASP 26 5.476 -3.587 2.869 194 HB3 ASP 26 HB2 ASP 26 6.132 -3.519 4.499 195 H ARG 27 H ARG 27 4.048 -6.096 2.266 196 HA ARG 27 HA ARG 27 1.991 -6.732 2.396 197 HB2 ARG 27 HB3 ARG 27 2.435 -7.193 5.332 198 HB3 ARG 27 HB2 ARG 27 1.057 -7.722 4.357 199 HG2 ARG 27 2HG ARG 27 2.561 -9.097 2.996 200 HG3 ARG 27 1HG ARG 27 3.908 -8.618 4.031 201 HD2 ARG 27 2HD ARG 27 1.450 -10.142 4.865 202 HD3 ARG 27 1HD ARG 27 3.078 -10.794 4.699 203 HE ARG 27 HE ARG 27 3.273 -8.721 6.475 204 HH11 ARG 27 1HH1 ARG 27 1.512 -11.792 6.340 205 HH12 ARG 27 2HH1 ARG 27 1.441 -11.971 8.032 206 HH21 ARG 27 1HH2 ARG 27 3.162 -8.982 8.799 207 HH22 ARG 27 2HH2 ARG 27 2.380 -10.352 9.446 208 H TRP 28 H TRP 28 2.992 -3.952 3.422 209 HA TRP 28 HA TRP 28 0.263 -3.062 3.687 210 HB2 TRP 28 HB3 TRP 28 0.922 -1.239 5.253 211 HB3 TRP 28 HB2 TRP 28 1.091 -2.836 5.942 212 HD1 TRP 28 HD TRP 28 3.324 -0.039 4.450 213 HE1 TRP 28 1HE TRP 28 5.585 -0.081 5.735 214 HE3 TRP 28 3HE TRP 28 2.559 -4.170 7.337 215 HZ2 TRP 28 2HZ TRP 28 6.859 -1.679 7.663 216 HZ3 TRP 28 3HZ TRP 28 4.346 -4.890 8.869 217 HH2 TRP 28 HH TRP 28 6.447 -3.668 9.018 218 H CYS 29 H CYS 29 0.093 -0.666 3.209 219 HA CYS 29 HA CYS 29 1.281 -0.365 0.648 220 HB2 CYS 29 HB3 CYS 29 -1.125 0.110 1.075 221 HB3 CYS 29 HB2 CYS 29 -0.642 1.445 2.114 222 H LYS 30 H LYS 30 2.682 1.203 0.016 223 HA LYS 30 HA LYS 30 3.724 3.043 2.016 224 HB2 LYS 30 HB3 LYS 30 5.379 1.076 0.465 225 HB3 LYS 30 HB2 LYS 30 6.025 2.502 1.234 226 HG2 LYS 30 2HG LYS 30 5.488 1.689 3.406 227 HG3 LYS 30 1HG LYS 30 4.495 0.398 2.733 228 HD2 LYS 30 2HD LYS 30 6.625 -0.432 3.559 229 HD3 LYS 30 1HD LYS 30 6.475 -0.679 1.818 230 HE2 LYS 30 2HE LYS 30 8.712 0.056 2.325 231 HE3 LYS 30 1HE LYS 30 7.865 1.350 1.485 232 HZ1 LYS 30 1HZ LYS 30 8.279 1.186 4.414 233 HZ2 LYS 30 2HZ LYS 30 7.539 2.465 3.624 234 HZ3 LYS 30 3HZ LYS 30 9.179 2.145 3.377 235 H TYR 31 H TYR 31 5.120 4.674 1.095 236 HA TYR 31 HA TYR 31 3.941 5.885 -1.188 237 HB2 TYR 31 HB3 TYR 31 5.090 6.929 0.922 238 HB3 TYR 31 HB2 TYR 31 6.588 6.626 0.061 239 HD1 TYR 31 1HD TYR 31 3.923 8.889 0.602 240 HD2 TYR 31 2HD TYR 31 6.798 7.734 -2.306 241 HE1 TYR 31 1HE TYR 31 3.648 11.047 -0.511 242 HE2 TYR 31 2HE TYR 31 6.523 9.900 -3.434 243 HH TYR 31 HH TYR 31 4.959 12.506 -2.011 244 H ASP 32 H ASP 32 4.501 5.505 -3.234 245 HA ASP 32 HA ASP 32 6.239 3.440 -3.958 246 HB2 ASP 32 HB3 ASP 32 4.407 4.112 -5.427 247 HB3 ASP 32 HB2 ASP 32 5.204 5.649 -5.740 248 H LEU 33 H LEU 33 6.799 6.839 -4.186 249 HA LEU 33 HA LEU 33 9.547 6.405 -4.968 250 HB2 LEU 33 HB3 LEU 33 8.199 8.407 -5.732 251 HB3 LEU 33 HB2 LEU 33 8.257 9.012 -4.093 252 HG LEU 33 HG LEU 33 9.815 10.140 -5.700 253 HD11 LEU 33 HD11 LEU 33 11.191 8.762 -3.407 254 HD12 LEU 33 HD12 LEU 33 10.303 10.284 -3.333 255 HD13 LEU 33 HD13 LEU 33 11.791 10.177 -4.273 256 HD21 LEU 33 HD21 LEU 33 11.230 7.482 -5.684 257 HD22 LEU 33 HD22 LEU 33 11.869 8.975 -6.359 258 HD23 LEU 33 HD23 LEU 33 10.427 8.238 -7.061 259 HN1 NH2 34 HN1 NH2 34 10.789 5.535 -3.516 260 HN2 NH2 34 HN2 NH2 34 10.887 5.945 -1.842 Start of MODEL 6 1 H1 ASP 1 1HT ASP 1 -13.278 7.425 -0.741 2 H2 ASP 1 2HT ASP 1 -13.695 8.972 -0.160 3 H3 ASP 1 3HT ASP 1 -13.187 7.751 0.902 4 HA ASP 1 HA ASP 1 -11.510 8.842 -1.251 5 HB2 ASP 1 HB3 ASP 1 -11.484 9.430 1.722 6 HB3 ASP 1 HB2 ASP 1 -10.188 9.857 0.617 7 H CYS 2 H CYS 2 -9.343 8.099 -1.098 8 HA CYS 2 HA CYS 2 -9.463 5.363 -0.252 9 HB2 CYS 2 HB3 CYS 2 -7.242 5.210 -1.358 10 HB3 CYS 2 HB2 CYS 2 -8.620 5.482 -2.409 11 H LEU 3 H LEU 3 -7.213 4.484 0.487 12 HA LEU 3 HA LEU 3 -7.096 5.500 3.152 13 HB2 LEU 3 HB3 LEU 3 -5.615 3.217 1.933 14 HB3 LEU 3 HB2 LEU 3 -5.988 3.513 3.614 15 HG LEU 3 HG LEU 3 -7.956 2.898 1.465 16 HD11 LEU 3 HD11 LEU 3 -6.610 0.940 2.058 17 HD12 LEU 3 HD12 LEU 3 -8.223 0.745 2.758 18 HD13 LEU 3 HD13 LEU 3 -6.874 1.243 3.773 19 HD21 LEU 3 HD21 LEU 3 -9.576 2.666 3.317 20 HD22 LEU 3 HD22 LEU 3 -8.956 4.308 3.153 21 HD23 LEU 3 HD23 LEU 3 -8.349 3.258 4.437 22 H GLY 4 H GLY 4 -5.221 5.993 4.251 23 HA2 GLY 4 2HA GLY 4 -3.035 7.054 2.727 24 HA3 GLY 4 1HA GLY 4 -3.252 7.097 4.484 25 H TRP 5 H TRP 5 -0.762 6.200 3.487 26 HA TRP 5 HA TRP 5 -1.050 3.460 3.233 27 HB2 TRP 5 HB3 TRP 5 1.124 3.452 2.593 28 HB3 TRP 5 HB2 TRP 5 0.441 4.878 1.884 29 HD1 TRP 5 HD TRP 5 3.132 3.672 4.162 30 HE1 TRP 5 1HE TRP 5 4.783 5.540 4.636 31 HE3 TRP 5 3HE TRP 5 0.419 7.497 2.296 32 HZ2 TRP 5 2HZ TRP 5 4.883 8.384 4.317 33 HZ3 TRP 5 3HZ TRP 5 1.333 9.796 2.420 34 HH2 TRP 5 HH TRP 5 3.528 10.219 3.416 35 H PHE 6 H PHE 6 1.033 2.399 4.398 36 HA PHE 6 HA PHE 6 1.656 1.253 6.124 37 HB2 PHE 6 HB3 PHE 6 0.809 3.650 7.700 38 HB3 PHE 6 HB2 PHE 6 1.191 2.138 8.520 39 HD1 PHE 6 1HD PHE 6 3.443 1.052 7.976 40 HD2 PHE 6 2HD PHE 6 2.523 5.113 7.139 41 HE1 PHE 6 1HE PHE 6 5.839 1.558 7.876 42 HE2 PHE 6 2HE PHE 6 4.910 5.631 7.031 43 HZ PHE 6 HZ PHE 6 6.585 3.854 7.398 44 H LYS 7 H LYS 7 -1.416 1.580 5.293 45 HA LYS 7 HA LYS 7 -2.526 -0.135 7.295 46 HB2 LYS 7 HB3 LYS 7 -3.620 0.682 4.629 47 HB3 LYS 7 HB2 LYS 7 -4.511 0.061 5.993 48 HG2 LYS 7 2HG LYS 7 -3.083 2.704 5.984 49 HG3 LYS 7 1HG LYS 7 -4.794 2.512 5.651 50 HD2 LYS 7 2HD LYS 7 -3.379 1.759 8.221 51 HD3 LYS 7 1HD LYS 7 -4.340 3.213 7.980 52 HE2 LYS 7 2HE LYS 7 -6.318 1.787 7.535 53 HE3 LYS 7 1HE LYS 7 -5.337 0.361 7.868 54 HZ1 LYS 7 1HZ LYS 7 -5.961 2.543 9.764 55 HZ2 LYS 7 2HZ LYS 7 -4.932 1.245 10.088 56 HZ3 LYS 7 3HZ LYS 7 -6.567 0.960 9.816 57 H SER 8 H SER 8 -3.043 -2.173 6.822 58 HA SER 8 HA SER 8 -1.377 -3.809 5.278 59 HB2 SER 8 HB3 SER 8 -4.151 -4.494 6.222 60 HB3 SER 8 HB2 SER 8 -2.716 -5.518 6.119 61 HG SER 8 HG SER 8 -1.980 -4.781 7.907 62 H CYS 9 H CYS 9 -1.693 -4.604 3.115 63 HA CYS 9 HA CYS 9 -4.173 -3.861 1.881 64 HB2 CYS 9 HB3 CYS 9 -2.892 -2.974 -0.024 65 HB3 CYS 9 HB2 CYS 9 -2.904 -1.972 1.419 66 H ASP 10 H ASP 10 -4.246 -4.574 -0.316 67 HA ASP 10 HA ASP 10 -2.748 -7.067 -0.893 68 HB2 ASP 10 HB3 ASP 10 -5.169 -7.485 -0.695 69 HB3 ASP 10 HB2 ASP 10 -5.473 -6.229 -1.898 70 HA PRO 11 HA PRO 11 -0.994 -4.418 -3.894 71 HB2 PRO 11 HB3 PRO 11 0.523 -6.317 -5.135 72 HB3 PRO 11 HB2 PRO 11 1.038 -5.404 -3.702 73 HG2 PRO 11 2HG PRO 11 0.200 -8.208 -3.967 74 HG3 PRO 11 1HG PRO 11 1.096 -7.420 -2.661 75 HD2 PRO 11 2HD PRO 11 -1.615 -8.204 -2.631 76 HD3 PRO 11 1HD PRO 11 -0.774 -7.208 -1.431 77 H LYS 12 H LYS 12 -2.952 -7.095 -4.699 78 HA LYS 12 HA LYS 12 -2.741 -6.546 -7.466 79 HB2 LYS 12 HB3 LYS 12 -4.231 -8.515 -5.782 80 HB3 LYS 12 HB2 LYS 12 -4.578 -8.310 -7.477 81 HG2 LYS 12 2HG LYS 12 -3.124 -10.213 -7.250 82 HG3 LYS 12 1HG LYS 12 -2.160 -8.915 -7.939 83 HD2 LYS 12 2HD LYS 12 -1.211 -8.447 -5.728 84 HD3 LYS 12 1HD LYS 12 -2.187 -9.726 -5.018 85 HE2 LYS 12 2HE LYS 12 -0.021 -10.052 -7.098 86 HE3 LYS 12 1HE LYS 12 0.093 -10.483 -5.401 87 HZ1 LYS 12 1HZ LYS 12 -1.782 -11.741 -7.348 88 HZ2 LYS 12 2HZ LYS 12 -1.632 -12.170 -5.736 89 HZ3 LYS 12 3HZ LYS 12 -0.365 -12.440 -6.789 90 H ASN 13 H ASN 13 -4.774 -5.858 -4.720 91 HA ASN 13 HA ASN 13 -6.254 -3.896 -6.174 92 HB2 ASN 13 HB3 ASN 13 -7.273 -5.998 -6.894 93 HB3 ASN 13 HB2 ASN 13 -7.675 -6.357 -5.233 94 HD21 ASN 13 HD21 ASN 13 -7.901 -3.158 -6.787 95 HD22 ASN 13 HD22 ASN 13 -9.604 -3.013 -6.578 96 H ASP 14 H ASP 14 -5.688 -2.554 -4.472 97 HA ASP 14 HA ASP 14 -7.228 -3.106 -2.032 98 HB2 ASP 14 HB3 ASP 14 -4.674 -3.273 -1.906 99 HB3 ASP 14 HB2 ASP 14 -4.703 -1.518 -2.029 100 H LYS 15 H LYS 15 -6.938 -0.741 -0.758 101 HA LYS 15 HA LYS 15 -8.572 1.041 -2.420 102 HB2 LYS 15 HB3 LYS 15 -8.562 0.750 0.596 103 HB3 LYS 15 HB2 LYS 15 -9.611 1.756 -0.356 104 HG2 LYS 15 2HG LYS 15 -10.918 -0.090 0.379 105 HG3 LYS 15 1HG LYS 15 -10.604 -0.344 -1.333 106 HD2 LYS 15 2HD LYS 15 -10.360 -2.439 -0.111 107 HD3 LYS 15 1HD LYS 15 -8.799 -1.929 -0.747 108 HE2 LYS 15 2HE LYS 15 -8.269 -0.982 1.511 109 HE3 LYS 15 1HE LYS 15 -9.779 -1.674 2.104 110 HZ1 LYS 15 1HZ LYS 15 -8.885 -3.875 1.400 111 HZ2 LYS 15 2HZ LYS 15 -7.985 -3.133 2.613 112 HZ3 LYS 15 3HZ LYS 15 -7.408 -3.129 1.053 113 H CYS 16 H CYS 16 -5.510 0.714 -1.380 114 HA CYS 16 HA CYS 16 -5.064 3.171 -0.052 115 HB2 CYS 16 HB3 CYS 16 -3.529 1.093 -0.011 116 HB3 CYS 16 HB2 CYS 16 -3.016 1.582 -1.623 117 H CYS 17 H CYS 17 -4.234 5.095 -0.929 118 HA CYS 17 HA CYS 17 -5.308 5.846 -3.348 119 HB2 CYS 17 HB3 CYS 17 -3.304 7.146 -1.537 120 HB3 CYS 17 HB2 CYS 17 -4.014 7.919 -2.942 121 H LYS 18 H LYS 18 -4.026 6.993 -4.948 122 HA LYS 18 HA LYS 18 -2.194 5.207 -6.166 123 HB2 LYS 18 HB3 LYS 18 -3.986 6.585 -7.328 124 HB3 LYS 18 HB2 LYS 18 -3.010 8.000 -7.006 125 HG2 LYS 18 2HG LYS 18 -2.709 7.255 -9.289 126 HG3 LYS 18 1HG LYS 18 -1.209 7.059 -8.385 127 HD2 LYS 18 2HD LYS 18 -1.625 5.117 -9.811 128 HD3 LYS 18 1HD LYS 18 -1.693 4.668 -8.110 129 HE2 LYS 18 2HE LYS 18 -4.138 4.712 -8.190 130 HE3 LYS 18 1HE LYS 18 -4.083 5.188 -9.886 131 HZ1 LYS 18 1HZ LYS 18 -3.007 3.083 -10.395 132 HZ2 LYS 18 2HZ LYS 18 -4.468 2.815 -9.598 133 HZ3 LYS 18 3HZ LYS 18 -3.023 2.656 -8.764 134 H ASN 19 H ASN 19 -0.159 5.940 -6.831 135 HA ASN 19 HA ASN 19 1.954 6.735 -6.594 136 HB2 ASN 19 HB3 ASN 19 0.766 8.873 -4.813 137 HB3 ASN 19 HB2 ASN 19 2.469 8.771 -5.240 138 HD21 ASN 19 HD21 ASN 19 1.978 8.024 -8.043 139 HD22 ASN 19 HD22 ASN 19 1.386 9.467 -8.782 140 H TYR 20 H TYR 20 0.058 6.120 -3.856 141 HA TYR 20 HA TYR 20 2.295 5.176 -2.320 142 HB2 TYR 20 HB3 TYR 20 -0.647 4.530 -1.932 143 HB3 TYR 20 HB2 TYR 20 0.664 4.382 -0.794 144 HD1 TYR 20 1HD TYR 20 -1.840 5.534 -0.048 145 HD2 TYR 20 2HD TYR 20 1.531 7.450 -1.764 146 HE1 TYR 20 1HE TYR 20 -2.534 7.638 0.967 147 HE2 TYR 20 2HE TYR 20 0.847 9.576 -0.730 148 HH TYR 20 HH TYR 20 -1.470 9.724 1.701 149 H THR 21 H THR 21 2.526 2.841 -2.050 150 HA THR 21 HA THR 21 1.104 1.283 -4.026 151 HB THR 21 HB THR 21 4.089 1.195 -3.716 152 HG1 THR 21 1HG THR 21 2.345 2.659 -5.308 153 HG21 THR 21 1HG2 THR 21 3.994 -0.151 -5.790 154 HG22 THR 21 2HG2 THR 21 2.232 -0.051 -5.754 155 HG23 THR 21 3HG2 THR 21 3.093 -0.905 -4.475 156 H CYS 22 H CYS 22 0.979 -0.805 -3.494 157 HA CYS 22 HA CYS 22 1.144 -1.328 -0.674 158 HB2 CYS 22 HB3 CYS 22 -0.841 -1.940 -1.881 159 HB3 CYS 22 HB2 CYS 22 0.108 -3.036 -2.909 160 H SER 23 H SER 23 2.496 -2.619 0.242 161 HA SER 23 HA SER 23 4.636 -3.671 -1.418 162 HB2 SER 23 HB3 SER 23 5.295 -2.145 0.364 163 HB3 SER 23 HB2 SER 23 4.447 -3.128 1.552 164 HG SER 23 HG SER 23 6.788 -3.442 1.410 165 H ARG 24 H ARG 24 4.856 -5.828 -1.622 166 HA ARG 24 HA ARG 24 2.988 -7.558 -0.187 167 HB2 ARG 24 HB3 ARG 24 3.863 -7.620 -2.758 168 HB3 ARG 24 HB2 ARG 24 5.066 -8.667 -2.030 169 HG2 ARG 24 2HG ARG 24 2.070 -9.100 -2.006 170 HG3 ARG 24 1HG ARG 24 3.225 -9.928 -3.036 171 HD2 ARG 24 2HD ARG 24 4.234 -10.953 -1.042 172 HD3 ARG 24 1HD ARG 24 3.071 -10.099 -0.024 173 HE ARG 24 HE ARG 24 1.757 -11.577 -2.042 174 HH11 ARG 24 1HH1 ARG 24 3.378 -12.085 1.046 175 HH12 ARG 24 2HH1 ARG 24 2.519 -13.494 1.443 176 HH21 ARG 24 1HH2 ARG 24 0.550 -13.485 -1.505 177 HH22 ARG 24 2HH2 ARG 24 0.842 -14.315 -0.048 178 H ARG 25 H ARG 25 6.133 -6.351 -0.175 179 HA ARG 25 HA ARG 25 7.503 -8.401 1.206 180 HB2 ARG 25 HB3 ARG 25 8.454 -6.617 -0.285 181 HB3 ARG 25 HB2 ARG 25 8.080 -5.451 0.966 182 HG2 ARG 25 2HG ARG 25 10.346 -5.910 1.147 183 HG3 ARG 25 1HG ARG 25 9.554 -6.782 2.469 184 HD2 ARG 25 2HD ARG 25 10.311 -8.062 -0.168 185 HD3 ARG 25 1HD ARG 25 11.362 -8.077 1.241 186 HE ARG 25 HE ARG 25 9.668 -9.366 2.387 187 HH11 ARG 25 1HH1 ARG 25 9.242 -9.246 -1.193 188 HH12 ARG 25 2HH1 ARG 25 8.507 -10.768 -1.236 189 HH21 ARG 25 1HH2 ARG 25 8.659 -11.429 2.219 190 HH22 ARG 25 2HH2 ARG 25 8.154 -12.042 0.705 191 H ASP 26 H ASP 26 6.204 -5.223 2.070 192 HA ASP 26 HA ASP 26 6.558 -5.664 4.934 193 HB2 ASP 26 HB3 ASP 26 5.284 -3.348 3.453 194 HB3 ASP 26 HB2 ASP 26 5.592 -3.399 5.177 195 H ARG 27 H ARG 27 4.085 -5.838 2.533 196 HA ARG 27 HA ARG 27 2.092 -6.539 2.420 197 HB2 ARG 27 HB3 ARG 27 2.280 -7.217 5.345 198 HB3 ARG 27 HB2 ARG 27 0.917 -7.573 4.272 199 HG2 ARG 27 2HG ARG 27 2.258 -9.018 2.937 200 HG3 ARG 27 1HG ARG 27 3.715 -8.559 3.823 201 HD2 ARG 27 2HD ARG 27 2.810 -9.517 5.841 202 HD3 ARG 27 1HD ARG 27 1.322 -9.959 5.001 203 HE ARG 27 HE ARG 27 3.348 -11.085 3.577 204 HH11 ARG 27 1HH1 ARG 27 2.187 -11.342 6.926 205 HH12 ARG 27 2HH1 ARG 27 2.735 -12.943 7.119 206 HH21 ARG 27 1HH2 ARG 27 4.092 -13.275 3.863 207 HH22 ARG 27 2HH2 ARG 27 3.812 -14.076 5.333 208 H TRP 28 H TRP 28 2.973 -3.875 3.861 209 HA TRP 28 HA TRP 28 0.220 -2.956 3.919 210 HB2 TRP 28 HB3 TRP 28 0.882 -1.113 5.461 211 HB3 TRP 28 HB2 TRP 28 1.060 -2.698 6.180 212 HD1 TRP 28 HD TRP 28 3.374 -0.104 4.422 213 HE1 TRP 28 1HE TRP 28 5.637 -0.101 5.692 214 HE3 TRP 28 3HE TRP 28 2.398 -3.730 7.859 215 HZ2 TRP 28 2HZ TRP 28 6.813 -1.436 7.852 216 HZ3 TRP 28 3HZ TRP 28 4.144 -4.302 9.505 217 HH2 TRP 28 HH TRP 28 6.295 -3.174 9.492 218 H CYS 29 H CYS 29 -0.004 -0.649 3.321 219 HA CYS 29 HA CYS 29 1.319 -0.311 0.838 220 HB2 CYS 29 HB3 CYS 29 -1.124 0.085 1.147 221 HB3 CYS 29 HB2 CYS 29 -0.727 1.441 2.199 222 H LYS 30 H LYS 30 2.721 1.331 0.317 223 HA LYS 30 HA LYS 30 3.540 3.138 2.457 224 HB2 LYS 30 HB3 LYS 30 5.462 1.677 0.674 225 HB3 LYS 30 HB2 LYS 30 5.831 2.835 1.924 226 HG2 LYS 30 2HG LYS 30 4.950 1.290 3.619 227 HG3 LYS 30 1HG LYS 30 4.649 0.104 2.350 228 HD2 LYS 30 2HD LYS 30 7.328 1.221 3.174 229 HD3 LYS 30 1HD LYS 30 6.710 -0.396 3.510 230 HE2 LYS 30 2HE LYS 30 6.632 -0.799 1.059 231 HE3 LYS 30 1HE LYS 30 7.404 0.770 0.822 232 HZ1 LYS 30 1HZ LYS 30 8.506 -1.534 2.301 233 HZ2 LYS 30 2HZ LYS 30 9.281 -0.031 2.165 234 HZ3 LYS 30 3HZ LYS 30 9.040 -0.979 0.804 235 H TYR 31 H TYR 31 4.613 5.017 1.675 236 HA TYR 31 HA TYR 31 3.705 5.809 -0.918 237 HB2 TYR 31 HB3 TYR 31 3.863 7.366 1.067 238 HB3 TYR 31 HB2 TYR 31 5.609 7.216 0.983 239 HD1 TYR 31 1HD TYR 31 5.951 9.577 0.733 240 HD2 TYR 31 2HD TYR 31 3.536 7.479 -2.074 241 HE1 TYR 31 1HE TYR 31 6.018 11.504 -0.768 242 HE2 TYR 31 2HE TYR 31 3.602 9.402 -3.572 243 HH TYR 31 HH TYR 31 5.723 12.042 -3.068 244 H ASP 32 H ASP 32 4.757 5.158 -2.670 245 HA ASP 32 HA ASP 32 7.224 3.744 -2.450 246 HB2 ASP 32 HB3 ASP 32 5.400 3.114 -4.024 247 HB3 ASP 32 HB2 ASP 32 5.763 4.565 -4.950 248 H LEU 33 H LEU 33 6.432 6.939 -3.170 249 HA LEU 33 HA LEU 33 8.939 7.536 -4.486 250 HB2 LEU 33 HB3 LEU 33 6.647 9.335 -3.682 251 HB3 LEU 33 HB2 LEU 33 8.114 9.923 -4.422 252 HG LEU 33 HG LEU 33 6.436 9.858 -6.081 253 HD11 LEU 33 HD11 LEU 33 8.608 9.227 -6.854 254 HD12 LEU 33 HD12 LEU 33 7.359 8.377 -7.760 255 HD13 LEU 33 HD13 LEU 33 8.273 7.527 -6.516 256 HD21 LEU 33 HD21 LEU 33 5.966 6.956 -5.396 257 HD22 LEU 33 HD22 LEU 33 5.214 7.820 -6.735 258 HD23 LEU 33 HD23 LEU 33 4.864 8.293 -5.075 259 HN1 NH2 34 HN1 NH2 34 7.395 9.200 -1.786 260 HN2 NH2 34 HN2 NH2 34 8.814 9.305 -0.815 Start of MODEL 7 1 H1 ASP 1 1HT ASP 1 -13.439 5.682 1.390 2 H2 ASP 1 2HT ASP 1 -13.425 5.928 -0.259 3 H3 ASP 1 3HT ASP 1 -14.165 7.072 0.746 4 HA ASP 1 HA ASP 1 -11.996 7.836 -0.028 5 HB2 ASP 1 HB3 ASP 1 -11.958 7.002 2.887 6 HB3 ASP 1 HB2 ASP 1 -10.909 8.211 2.161 7 H CYS 2 H CYS 2 -9.678 7.429 -0.079 8 HA CYS 2 HA CYS 2 -9.203 4.585 0.001 9 HB2 CYS 2 HB3 CYS 2 -7.043 5.134 -1.005 10 HB3 CYS 2 HB2 CYS 2 -8.433 5.407 -2.039 11 H LEU 3 H LEU 3 -6.928 4.014 0.666 12 HA LEU 3 HA LEU 3 -6.814 4.785 3.446 13 HB2 LEU 3 HB3 LEU 3 -5.341 2.618 2.023 14 HB3 LEU 3 HB2 LEU 3 -5.779 2.744 3.711 15 HG LEU 3 HG LEU 3 -7.712 2.398 1.472 16 HD11 LEU 3 HD11 LEU 3 -6.311 0.396 1.731 17 HD12 LEU 3 HD12 LEU 3 -7.931 0.048 2.345 18 HD13 LEU 3 HD13 LEU 3 -6.612 0.382 3.468 19 HD21 LEU 3 HD21 LEU 3 -8.081 2.261 4.470 20 HD22 LEU 3 HD22 LEU 3 -9.310 1.798 3.295 21 HD23 LEU 3 HD23 LEU 3 -8.746 3.468 3.367 22 H GLY 4 H GLY 4 -4.923 5.525 4.375 23 HA2 GLY 4 2HA GLY 4 -2.823 6.502 2.676 24 HA3 GLY 4 1HA GLY 4 -2.909 6.627 4.441 25 H TRP 5 H TRP 5 -0.452 5.836 3.841 26 HA TRP 5 HA TRP 5 -0.541 3.122 3.343 27 HB2 TRP 5 HB3 TRP 5 1.597 3.312 2.810 28 HB3 TRP 5 HB2 TRP 5 1.044 4.907 2.475 29 HD1 TRP 5 HD TRP 5 3.653 3.057 4.166 30 HE1 TRP 5 1HE TRP 5 5.247 4.547 5.337 31 HE3 TRP 5 3HE TRP 5 0.771 7.276 4.170 32 HZ2 TRP 5 2HZ TRP 5 5.266 7.290 6.322 33 HZ3 TRP 5 3HZ TRP 5 1.641 9.270 5.276 34 HH2 TRP 5 HH TRP 5 3.842 9.283 6.330 35 H PHE 6 H PHE 6 1.197 1.908 4.760 36 HA PHE 6 HA PHE 6 1.534 0.711 6.587 37 HB2 PHE 6 HB3 PHE 6 0.612 3.180 8.002 38 HB3 PHE 6 HB2 PHE 6 0.745 1.659 8.874 39 HD1 PHE 6 1HD PHE 6 2.470 4.536 7.666 40 HD2 PHE 6 2HD PHE 6 2.998 0.496 8.872 41 HE1 PHE 6 1HE PHE 6 4.847 4.971 8.070 42 HE2 PHE 6 2HE PHE 6 5.377 0.911 9.273 43 HZ PHE 6 HZ PHE 6 6.317 3.162 8.877 44 H LYS 7 H LYS 7 -1.485 1.404 5.434 45 HA LYS 7 HA LYS 7 -2.882 -0.290 7.253 46 HB2 LYS 7 HB3 LYS 7 -3.725 0.663 4.534 47 HB3 LYS 7 HB2 LYS 7 -4.737 0.133 5.853 48 HG2 LYS 7 2HG LYS 7 -3.112 2.653 5.878 49 HG3 LYS 7 1HG LYS 7 -4.811 2.580 5.467 50 HD2 LYS 7 2HD LYS 7 -5.226 1.652 7.761 51 HD3 LYS 7 1HD LYS 7 -3.519 1.934 8.120 52 HE2 LYS 7 2HE LYS 7 -3.868 4.340 7.507 53 HE3 LYS 7 1HE LYS 7 -5.584 3.992 7.359 54 HZ1 LYS 7 1HZ LYS 7 -5.084 4.936 9.507 55 HZ2 LYS 7 2HZ LYS 7 -3.943 3.757 9.803 56 HZ3 LYS 7 3HZ LYS 7 -5.570 3.332 9.732 57 H SER 8 H SER 8 -3.520 -2.289 6.628 58 HA SER 8 HA SER 8 -1.776 -3.822 5.077 59 HB2 SER 8 HB3 SER 8 -4.482 -4.431 6.245 60 HB3 SER 8 HB2 SER 8 -3.316 -5.609 5.643 61 HG SER 8 HG SER 8 -2.023 -5.249 7.282 62 H CYS 9 H CYS 9 -2.160 -4.845 3.074 63 HA CYS 9 HA CYS 9 -4.445 -4.015 1.573 64 HB2 CYS 9 HB3 CYS 9 -2.911 -3.283 -0.227 65 HB3 CYS 9 HB2 CYS 9 -2.953 -2.214 1.172 66 H ASP 10 H ASP 10 -3.930 -4.813 -0.742 67 HA ASP 10 HA ASP 10 -2.502 -7.358 -0.801 68 HB2 ASP 10 HB3 ASP 10 -5.004 -7.720 -0.564 69 HB3 ASP 10 HB2 ASP 10 -5.189 -6.792 -2.051 70 HA PRO 11 HA PRO 11 -0.909 -5.021 -4.222 71 HB2 PRO 11 HB3 PRO 11 0.128 -7.013 -5.758 72 HB3 PRO 11 HB2 PRO 11 0.920 -6.406 -4.293 73 HG2 PRO 11 2HG PRO 11 -0.793 -8.834 -4.656 74 HG3 PRO 11 1HG PRO 11 0.719 -8.660 -3.745 75 HD2 PRO 11 2HD PRO 11 -1.686 -8.651 -2.535 76 HD3 PRO 11 1HD PRO 11 -0.339 -7.653 -1.941 77 H LYS 12 H LYS 12 -3.215 -7.676 -4.818 78 HA LYS 12 HA LYS 12 -3.753 -6.623 -7.422 79 HB2 LYS 12 HB3 LYS 12 -4.479 -9.057 -5.878 80 HB3 LYS 12 HB2 LYS 12 -5.191 -8.660 -7.430 81 HG2 LYS 12 2HG LYS 12 -2.949 -8.729 -8.447 82 HG3 LYS 12 1HG LYS 12 -2.248 -9.064 -6.865 83 HD2 LYS 12 2HD LYS 12 -3.499 -11.140 -6.759 84 HD3 LYS 12 1HD LYS 12 -4.181 -10.830 -8.361 85 HE2 LYS 12 2HE LYS 12 -1.885 -10.795 -9.287 86 HE3 LYS 12 1HE LYS 12 -1.256 -11.201 -7.691 87 HZ1 LYS 12 1HZ LYS 12 -2.538 -13.280 -7.809 88 HZ2 LYS 12 2HZ LYS 12 -1.415 -13.158 -9.044 89 HZ3 LYS 12 3HZ LYS 12 -3.046 -12.867 -9.362 90 H ASN 13 H ASN 13 -4.759 -6.352 -4.256 91 HA ASN 13 HA ASN 13 -7.243 -5.037 -5.070 92 HB2 ASN 13 HB3 ASN 13 -7.865 -7.243 -4.094 93 HB3 ASN 13 HB2 ASN 13 -7.016 -6.850 -2.620 94 HD21 ASN 13 HD21 ASN 13 -9.780 -7.567 -2.981 95 HD22 ASN 13 HD22 ASN 13 -10.708 -6.271 -2.325 96 H ASP 14 H ASP 14 -5.965 -3.269 -5.030 97 HA ASP 14 HA ASP 14 -4.871 -2.313 -2.466 98 HB2 ASP 14 HB3 ASP 14 -3.431 -2.295 -4.388 99 HB3 ASP 14 HB2 ASP 14 -4.591 -1.271 -5.264 100 H LYS 15 H LYS 15 -5.825 -0.819 -1.464 101 HA LYS 15 HA LYS 15 -7.918 0.791 -2.756 102 HB2 LYS 15 HB3 LYS 15 -7.920 -0.304 0.045 103 HB3 LYS 15 HB2 LYS 15 -9.096 0.804 -0.622 104 HG2 LYS 15 2HG LYS 15 -8.617 -2.064 -1.431 105 HG3 LYS 15 1HG LYS 15 -10.027 -1.407 -0.598 106 HD2 LYS 15 2HD LYS 15 -10.499 -0.030 -2.629 107 HD3 LYS 15 1HD LYS 15 -9.151 -0.844 -3.421 108 HE2 LYS 15 2HE LYS 15 -11.171 -1.925 -4.101 109 HE3 LYS 15 1HE LYS 15 -10.286 -3.008 -3.032 110 HZ1 LYS 15 1HZ LYS 15 -11.769 -2.344 -1.215 111 HZ2 LYS 15 2HZ LYS 15 -12.631 -2.970 -2.518 112 HZ3 LYS 15 3HZ LYS 15 -12.577 -1.302 -2.269 113 H CYS 16 H CYS 16 -4.988 1.181 -2.027 114 HA CYS 16 HA CYS 16 -5.181 3.245 -0.019 115 HB2 CYS 16 HB3 CYS 16 -2.803 2.017 -1.438 116 HB3 CYS 16 HB2 CYS 16 -2.700 3.239 -0.173 117 H CYS 17 H CYS 17 -4.217 5.375 -0.478 118 HA CYS 17 HA CYS 17 -5.253 6.417 -2.816 119 HB2 CYS 17 HB3 CYS 17 -3.398 7.576 -0.744 120 HB3 CYS 17 HB2 CYS 17 -4.257 8.489 -1.981 121 H LYS 18 H LYS 18 -3.925 7.841 -4.177 122 HA LYS 18 HA LYS 18 -2.172 6.228 -5.599 123 HB2 LYS 18 HB3 LYS 18 -3.799 7.891 -6.498 124 HB3 LYS 18 HB2 LYS 18 -2.703 9.165 -5.997 125 HG2 LYS 18 2HG LYS 18 -1.524 7.097 -7.732 126 HG3 LYS 18 1HG LYS 18 -2.824 8.027 -8.464 127 HD2 LYS 18 2HD LYS 18 -0.362 9.191 -7.169 128 HD3 LYS 18 1HD LYS 18 -0.580 8.972 -8.904 129 HE2 LYS 18 2HE LYS 18 -2.231 10.764 -7.096 130 HE3 LYS 18 1HE LYS 18 -1.034 11.269 -8.278 131 HZ1 LYS 18 1HZ LYS 18 -2.450 10.389 -10.045 132 HZ2 LYS 18 2HZ LYS 18 -3.269 11.524 -9.133 133 HZ3 LYS 18 3HZ LYS 18 -3.605 9.903 -8.918 134 H ASN 19 H ASN 19 -0.147 6.712 -6.203 135 HA ASN 19 HA ASN 19 2.060 7.078 -6.015 136 HB2 ASN 19 HB3 ASN 19 1.459 9.043 -3.798 137 HB3 ASN 19 HB2 ASN 19 3.062 8.727 -4.459 138 HD21 ASN 19 HD21 ASN 19 3.437 9.338 -6.664 139 HD22 ASN 19 HD22 ASN 19 2.536 10.624 -7.372 140 H TYR 20 H TYR 20 0.249 6.438 -3.231 141 HA TYR 20 HA TYR 20 2.353 4.903 -2.048 142 HB2 TYR 20 HB3 TYR 20 -0.613 4.863 -1.405 143 HB3 TYR 20 HB2 TYR 20 0.716 4.222 -0.458 144 HD1 TYR 20 1HD TYR 20 2.303 5.744 0.678 145 HD2 TYR 20 2HD TYR 20 -1.215 7.174 -1.211 146 HE1 TYR 20 1HE TYR 20 2.477 7.828 1.954 147 HE2 TYR 20 2HE TYR 20 -1.051 9.266 0.055 148 HH TYR 20 HH TYR 20 -0.051 10.021 2.189 149 H THR 21 H THR 21 2.250 2.647 -1.966 150 HA THR 21 HA THR 21 0.482 1.319 -3.854 151 HB THR 21 HB THR 21 3.476 0.977 -3.893 152 HG1 THR 21 1HG THR 21 1.832 2.799 -5.100 153 HG21 THR 21 1HG2 THR 21 1.346 0.034 -5.831 154 HG22 THR 21 2HG2 THR 21 2.195 -0.974 -4.663 155 HG23 THR 21 3HG2 THR 21 3.082 -0.242 -5.999 156 H CYS 22 H CYS 22 0.336 -0.874 -3.354 157 HA CYS 22 HA CYS 22 0.829 -1.527 -0.641 158 HB2 CYS 22 HB3 CYS 22 -1.135 -2.342 -1.803 159 HB3 CYS 22 HB2 CYS 22 -0.098 -3.291 -2.895 160 H SER 23 H SER 23 2.388 -2.611 0.148 161 HA SER 23 HA SER 23 4.433 -3.639 -1.669 162 HB2 SER 23 HB3 SER 23 5.193 -1.858 -0.055 163 HB3 SER 23 HB2 SER 23 4.681 -2.898 1.272 164 HG SER 23 HG SER 23 6.791 -3.331 1.073 165 H ARG 24 H ARG 24 4.053 -5.737 -1.952 166 HA ARG 24 HA ARG 24 2.480 -7.255 -0.144 167 HB2 ARG 24 HB3 ARG 24 2.807 -7.580 -2.709 168 HB3 ARG 24 HB2 ARG 24 4.284 -8.415 -2.288 169 HG2 ARG 24 2HG ARG 24 1.542 -9.275 -1.338 170 HG3 ARG 24 1HG ARG 24 2.307 -9.882 -2.797 171 HD2 ARG 24 2HD ARG 24 4.134 -10.785 -1.455 172 HD3 ARG 24 1HD ARG 24 3.370 -10.142 0.006 173 HE ARG 24 HE ARG 24 1.427 -11.650 -0.868 174 HH11 ARG 24 1HH1 ARG 24 4.891 -12.459 -0.870 175 HH12 ARG 24 2HH1 ARG 24 4.629 -14.122 -0.619 176 HH21 ARG 24 1HH2 ARG 24 1.102 -13.958 -0.511 177 HH22 ARG 24 2HH2 ARG 24 2.449 -14.982 -0.421 178 H ARG 25 H ARG 25 5.766 -6.504 -0.456 179 HA ARG 25 HA ARG 25 7.055 -8.523 0.985 180 HB2 ARG 25 HB3 ARG 25 8.130 -6.685 -0.344 181 HB3 ARG 25 HB2 ARG 25 7.713 -5.581 0.957 182 HG2 ARG 25 2HG ARG 25 8.969 -7.116 2.486 183 HG3 ARG 25 1HG ARG 25 9.579 -7.901 1.023 184 HD2 ARG 25 2HD ARG 25 11.212 -6.285 1.707 185 HD3 ARG 25 1HD ARG 25 10.400 -5.659 0.271 186 HE ARG 25 HE ARG 25 8.970 -4.564 2.296 187 HH11 ARG 25 1HH1 ARG 25 12.374 -4.497 1.415 188 HH12 ARG 25 2HH1 ARG 25 12.743 -3.112 2.328 189 HH21 ARG 25 1HH2 ARG 25 9.396 -2.754 3.558 190 HH22 ARG 25 2HH2 ARG 25 10.976 -2.060 3.603 191 H ASP 26 H ASP 26 5.907 -5.330 1.979 192 HA ASP 26 HA ASP 26 6.313 -5.863 4.784 193 HB2 ASP 26 HB3 ASP 26 5.077 -3.489 3.373 194 HB3 ASP 26 HB2 ASP 26 5.493 -3.555 5.080 195 H ARG 27 H ARG 27 3.814 -6.065 2.487 196 HA ARG 27 HA ARG 27 1.801 -6.814 2.419 197 HB2 ARG 27 HB3 ARG 27 2.062 -7.408 5.368 198 HB3 ARG 27 HB2 ARG 27 0.772 -7.931 4.270 199 HG2 ARG 27 2HG ARG 27 2.230 -9.345 3.066 200 HG3 ARG 27 1HG ARG 27 3.652 -8.668 3.866 201 HD2 ARG 27 2HD ARG 27 1.456 -10.247 5.192 202 HD3 ARG 27 1HD ARG 27 3.071 -10.847 4.795 203 HE ARG 27 HE ARG 27 3.762 -8.835 6.259 204 HH11 ARG 27 1HH1 ARG 27 1.178 -11.174 6.905 205 HH12 ARG 27 2HH1 ARG 27 1.155 -10.889 8.589 206 HH21 ARG 27 1HH2 ARG 27 3.722 -8.467 8.585 207 HH22 ARG 27 2HH2 ARG 27 2.630 -9.348 9.546 208 H TRP 28 H TRP 28 2.667 -4.090 3.387 209 HA TRP 28 HA TRP 28 -0.031 -3.099 3.678 210 HB2 TRP 28 HB3 TRP 28 0.563 -1.452 5.394 211 HB3 TRP 28 HB2 TRP 28 0.862 -3.064 6.000 212 HD1 TRP 28 HD TRP 28 2.955 -0.169 4.433 213 HE1 TRP 28 1HE TRP 28 5.207 -0.053 5.671 214 HE3 TRP 28 3HE TRP 28 2.353 -4.134 7.594 215 HZ2 TRP 28 2HZ TRP 28 6.544 -1.442 7.722 216 HZ3 TRP 28 3HZ TRP 28 4.165 -4.663 9.171 217 HH2 TRP 28 HH TRP 28 6.211 -3.345 9.229 218 H CYS 29 H CYS 29 -0.193 -0.787 3.082 219 HA CYS 29 HA CYS 29 1.253 -0.329 0.733 220 HB2 CYS 29 HB3 CYS 29 -0.784 1.145 2.321 221 HB3 CYS 29 HB2 CYS 29 -0.065 1.832 0.871 222 H LYS 30 H LYS 30 2.774 1.151 0.317 223 HA LYS 30 HA LYS 30 3.667 2.966 2.422 224 HB2 LYS 30 HB3 LYS 30 5.501 1.334 0.673 225 HB3 LYS 30 HB2 LYS 30 5.946 2.590 1.776 226 HG2 LYS 30 2HG LYS 30 5.361 1.272 3.672 227 HG3 LYS 30 1HG LYS 30 4.645 0.030 2.644 228 HD2 LYS 30 2HD LYS 30 6.905 -0.588 3.464 229 HD3 LYS 30 1HD LYS 30 6.802 -0.520 1.706 230 HE2 LYS 30 2HE LYS 30 8.870 0.492 2.479 231 HE3 LYS 30 1HE LYS 30 7.843 1.712 1.744 232 HZ1 LYS 30 1HZ LYS 30 8.812 2.550 3.751 233 HZ2 LYS 30 2HZ LYS 30 8.257 1.258 4.650 234 HZ3 LYS 30 3HZ LYS 30 7.163 2.378 4.019 235 H TYR 31 H TYR 31 5.074 4.665 1.474 236 HA TYR 31 HA TYR 31 3.821 5.624 -0.922 237 HB2 TYR 31 HB3 TYR 31 4.531 7.182 0.913 238 HB3 TYR 31 HB2 TYR 31 6.205 6.733 0.605 239 HD1 TYR 31 1HD TYR 31 3.282 8.529 -0.730 240 HD2 TYR 31 2HD TYR 31 7.399 7.628 -1.296 241 HE1 TYR 31 1HE TYR 31 3.424 10.285 -2.429 242 HE2 TYR 31 2HE TYR 31 7.558 9.378 -2.994 243 HH TYR 31 HH TYR 31 5.068 11.700 -3.521 244 H ASP 32 H ASP 32 4.548 5.151 -2.889 245 HA ASP 32 HA ASP 32 7.267 4.095 -3.026 246 HB2 ASP 32 HB3 ASP 32 5.701 2.221 -3.159 247 HB3 ASP 32 HB2 ASP 32 4.887 2.985 -4.516 248 H LEU 33 H LEU 33 4.994 4.571 -5.563 249 HA LEU 33 HA LEU 33 6.609 6.787 -6.588 250 HB2 LEU 33 HB3 LEU 33 5.854 4.358 -8.243 251 HB3 LEU 33 HB2 LEU 33 6.581 5.817 -8.871 252 HG LEU 33 HG LEU 33 7.913 3.931 -6.919 253 HD11 LEU 33 HD11 LEU 33 9.295 3.268 -8.816 254 HD12 LEU 33 HD12 LEU 33 8.327 4.290 -9.878 255 HD13 LEU 33 HD13 LEU 33 7.593 2.892 -9.091 256 HD21 LEU 33 HD21 LEU 33 8.730 6.222 -6.714 257 HD22 LEU 33 HD22 LEU 33 8.993 6.297 -8.455 258 HD23 LEU 33 HD23 LEU 33 9.944 5.189 -7.467 259 HN1 NH2 34 HN1 NH2 34 4.062 4.851 -8.043 260 HN2 NH2 34 HN2 NH2 34 2.888 6.115 -8.102 Start of MODEL 8 1 H1 ASP 1 1HT ASP 1 -13.659 5.899 0.721 2 H2 ASP 1 2HT ASP 1 -13.510 5.912 -0.936 3 H3 ASP 1 3HT ASP 1 -14.185 7.247 -0.162 4 HA ASP 1 HA ASP 1 -11.944 7.699 -0.839 5 HB2 ASP 1 HB3 ASP 1 -12.226 7.276 2.143 6 HB3 ASP 1 HB2 ASP 1 -10.885 8.141 1.413 7 H CYS 2 H CYS 2 -9.640 7.198 -0.483 8 HA CYS 2 HA CYS 2 -9.225 4.333 -0.348 9 HB2 CYS 2 HB3 CYS 2 -6.912 4.980 -0.984 10 HB3 CYS 2 HB2 CYS 2 -8.142 5.211 -2.219 11 H LEU 3 H LEU 3 -6.890 3.874 0.611 12 HA LEU 3 HA LEU 3 -7.218 4.458 3.406 13 HB2 LEU 3 HB3 LEU 3 -5.213 2.721 2.037 14 HB3 LEU 3 HB2 LEU 3 -5.776 2.654 3.691 15 HG LEU 3 HG LEU 3 -7.445 2.075 1.290 16 HD11 LEU 3 HD11 LEU 3 -6.085 0.183 3.257 17 HD12 LEU 3 HD12 LEU 3 -5.686 0.380 1.548 18 HD13 LEU 3 HD13 LEU 3 -7.230 -0.324 2.014 19 HD21 LEU 3 HD21 LEU 3 -8.773 2.803 3.190 20 HD22 LEU 3 HD22 LEU 3 -7.980 1.624 4.236 21 HD23 LEU 3 HD23 LEU 3 -9.026 1.076 2.928 22 H GLY 4 H GLY 4 -5.732 5.559 4.607 23 HA2 GLY 4 2HA GLY 4 -3.624 7.020 3.382 24 HA3 GLY 4 1HA GLY 4 -3.946 6.858 5.118 25 H TRP 5 H TRP 5 -1.353 6.350 3.598 26 HA TRP 5 HA TRP 5 -1.226 3.632 3.551 27 HB2 TRP 5 HB3 TRP 5 0.787 3.899 2.623 28 HB3 TRP 5 HB2 TRP 5 0.072 5.430 2.264 29 HD1 TRP 5 HD TRP 5 2.915 3.850 4.109 30 HE1 TRP 5 1HE TRP 5 4.527 5.585 4.866 31 HE3 TRP 5 3HE TRP 5 0.013 7.937 3.214 32 HZ2 TRP 5 2HZ TRP 5 4.576 8.458 5.148 33 HZ3 TRP 5 3HZ TRP 5 0.904 10.148 3.778 34 HH2 TRP 5 HH TRP 5 3.142 10.402 4.729 35 H PHE 6 H PHE 6 0.733 2.657 4.610 36 HA PHE 6 HA PHE 6 1.610 1.634 6.358 37 HB2 PHE 6 HB3 PHE 6 2.115 3.982 7.246 38 HB3 PHE 6 HB2 PHE 6 0.641 3.857 8.191 39 HD1 PHE 6 1HD PHE 6 3.878 2.161 7.591 40 HD2 PHE 6 2HD PHE 6 0.734 2.933 10.340 41 HE1 PHE 6 1HE PHE 6 5.165 1.050 9.369 42 HE2 PHE 6 2HE PHE 6 2.017 1.824 12.120 43 HZ PHE 6 HZ PHE 6 4.234 0.882 11.629 44 H LYS 7 H LYS 7 -1.567 2.185 5.842 45 HA LYS 7 HA LYS 7 -2.562 0.456 7.878 46 HB2 LYS 7 HB3 LYS 7 -3.850 1.675 5.423 47 HB3 LYS 7 HB2 LYS 7 -4.669 0.814 6.722 48 HG2 LYS 7 2HG LYS 7 -3.099 3.280 7.197 49 HG3 LYS 7 1HG LYS 7 -4.788 3.319 6.716 50 HD2 LYS 7 2HD LYS 7 -5.329 1.933 8.691 51 HD3 LYS 7 1HD LYS 7 -3.624 1.966 9.152 52 HE2 LYS 7 2HE LYS 7 -4.859 3.626 10.395 53 HE3 LYS 7 1HE LYS 7 -3.705 4.366 9.269 54 HZ1 LYS 7 1HZ LYS 7 -6.607 4.080 8.751 55 HZ2 LYS 7 2HZ LYS 7 -5.498 4.896 7.775 56 HZ3 LYS 7 3HZ LYS 7 -5.872 5.490 9.288 57 H SER 8 H SER 8 -3.605 -1.420 7.224 58 HA SER 8 HA SER 8 -2.043 -3.034 5.503 59 HB2 SER 8 HB3 SER 8 -4.473 -3.550 7.182 60 HB3 SER 8 HB2 SER 8 -3.440 -4.780 6.460 61 HG SER 8 HG SER 8 -2.066 -2.898 7.909 62 H CYS 9 H CYS 9 -2.853 -4.173 3.650 63 HA CYS 9 HA CYS 9 -5.469 -3.683 2.684 64 HB2 CYS 9 HB3 CYS 9 -4.535 -2.918 0.522 65 HB3 CYS 9 HB2 CYS 9 -4.474 -1.711 1.796 66 H ASP 10 H ASP 10 -5.330 -4.629 0.274 67 HA ASP 10 HA ASP 10 -4.077 -7.275 0.536 68 HB2 ASP 10 HB3 ASP 10 -6.521 -7.194 -0.032 69 HB3 ASP 10 HB2 ASP 10 -6.116 -6.315 -1.503 70 HA PRO 11 HA PRO 11 -0.958 -5.579 -2.038 71 HB2 PRO 11 HB3 PRO 11 0.318 -7.858 -2.790 72 HB3 PRO 11 HB2 PRO 11 0.528 -7.095 -1.203 73 HG2 PRO 11 2HG PRO 11 -1.109 -9.457 -1.992 74 HG3 PRO 11 1HG PRO 11 -0.211 -9.156 -0.496 75 HD2 PRO 11 2HD PRO 11 -2.931 -8.883 -0.724 76 HD3 PRO 11 1HD PRO 11 -1.948 -7.999 0.452 77 H LYS 12 H LYS 12 -3.190 -7.884 -3.366 78 HA LYS 12 HA LYS 12 -2.262 -7.174 -5.963 79 HB2 LYS 12 HB3 LYS 12 -2.827 -9.544 -5.244 80 HB3 LYS 12 HB2 LYS 12 -4.508 -9.047 -5.272 81 HG2 LYS 12 2HG LYS 12 -3.857 -10.176 -7.335 82 HG3 LYS 12 1HG LYS 12 -4.338 -8.495 -7.632 83 HD2 LYS 12 2HD LYS 12 -2.052 -7.813 -7.640 84 HD3 LYS 12 1HD LYS 12 -1.525 -9.442 -7.244 85 HE2 LYS 12 2HE LYS 12 -2.964 -8.571 -9.763 86 HE3 LYS 12 1HE LYS 12 -1.242 -8.930 -9.656 87 HZ1 LYS 12 1HZ LYS 12 -3.469 -10.864 -9.266 88 HZ2 LYS 12 2HZ LYS 12 -1.845 -11.207 -9.025 89 HZ3 LYS 12 3HZ LYS 12 -2.382 -10.796 -10.560 90 H ASN 13 H ASN 13 -4.650 -6.454 -3.668 91 HA ASN 13 HA ASN 13 -6.095 -4.919 -5.706 92 HB2 ASN 13 HB3 ASN 13 -7.496 -6.817 -4.826 93 HB3 ASN 13 HB2 ASN 13 -7.414 -6.080 -3.231 94 HD21 ASN 13 HD21 ASN 13 -9.619 -5.802 -3.150 95 HD22 ASN 13 HD22 ASN 13 -10.481 -4.643 -4.086 96 H ASP 14 H ASP 14 -4.531 -3.466 -5.245 97 HA ASP 14 HA ASP 14 -4.062 -2.163 -2.821 98 HB2 ASP 14 HB3 ASP 14 -2.508 -1.912 -4.561 99 HB3 ASP 14 HB2 ASP 14 -3.749 -1.255 -5.648 100 H LYS 15 H LYS 15 -4.934 -0.645 -1.820 101 HA LYS 15 HA LYS 15 -7.193 0.854 -2.906 102 HB2 LYS 15 HB3 LYS 15 -7.062 -0.663 -0.335 103 HB3 LYS 15 HB2 LYS 15 -8.171 0.672 -0.574 104 HG2 LYS 15 2HG LYS 15 -9.162 -0.539 -2.478 105 HG3 LYS 15 1HG LYS 15 -8.063 -1.887 -2.164 106 HD2 LYS 15 2HD LYS 15 -9.052 -2.227 0.015 107 HD3 LYS 15 1HD LYS 15 -10.072 -0.801 -0.192 108 HE2 LYS 15 2HE LYS 15 -10.170 -3.310 -1.868 109 HE3 LYS 15 1HE LYS 15 -11.321 -2.860 -0.609 110 HZ1 LYS 15 1HZ LYS 15 -10.846 -1.399 -3.162 111 HZ2 LYS 15 2HZ LYS 15 -11.856 -0.872 -1.930 112 HZ3 LYS 15 3HZ LYS 15 -12.218 -2.278 -2.747 113 H CYS 16 H CYS 16 -4.221 1.237 -2.085 114 HA CYS 16 HA CYS 16 -4.423 3.174 0.026 115 HB2 CYS 16 HB3 CYS 16 -2.067 2.627 -1.768 116 HB3 CYS 16 HB2 CYS 16 -2.063 3.204 -0.105 117 H CYS 17 H CYS 17 -4.048 5.458 -0.395 118 HA CYS 17 HA CYS 17 -5.002 6.365 -2.830 119 HB2 CYS 17 HB3 CYS 17 -3.379 7.830 -0.780 120 HB3 CYS 17 HB2 CYS 17 -4.446 8.510 -1.986 121 H LYS 18 H LYS 18 -3.820 7.583 -4.302 122 HA LYS 18 HA LYS 18 -1.817 6.053 -5.396 123 HB2 LYS 18 HB3 LYS 18 -3.519 7.482 -6.616 124 HB3 LYS 18 HB2 LYS 18 -2.497 8.858 -6.255 125 HG2 LYS 18 2HG LYS 18 -2.174 7.973 -8.544 126 HG3 LYS 18 1HG LYS 18 -0.698 7.956 -7.580 127 HD2 LYS 18 2HD LYS 18 -0.958 5.876 -8.878 128 HD3 LYS 18 1HD LYS 18 -0.980 5.554 -7.155 129 HE2 LYS 18 2HE LYS 18 -3.462 5.470 -7.252 130 HE3 LYS 18 1HE LYS 18 -3.374 5.692 -8.997 131 HZ1 LYS 18 1HZ LYS 18 -2.188 3.431 -7.481 132 HZ2 LYS 18 2HZ LYS 18 -2.150 3.600 -9.153 133 HZ3 LYS 18 3HZ LYS 18 -3.617 3.365 -8.353 134 H ASN 19 H ASN 19 0.169 6.737 -6.121 135 HA ASN 19 HA ASN 19 2.354 7.285 -5.875 136 HB2 ASN 19 HB3 ASN 19 1.461 9.131 -3.633 137 HB3 ASN 19 HB2 ASN 19 3.144 8.882 -4.091 138 HD21 ASN 19 HD21 ASN 19 0.110 10.296 -4.977 139 HD22 ASN 19 HD22 ASN 19 0.709 11.304 -6.237 140 H TYR 20 H TYR 20 0.438 6.603 -3.188 141 HA TYR 20 HA TYR 20 2.462 4.867 -2.070 142 HB2 TYR 20 HB3 TYR 20 -0.303 5.497 -1.041 143 HB3 TYR 20 HB2 TYR 20 1.049 4.800 -0.170 144 HD1 TYR 20 1HD TYR 20 -0.478 7.878 -1.306 145 HD2 TYR 20 2HD TYR 20 2.993 6.238 0.495 146 HE1 TYR 20 1HE TYR 20 0.210 10.120 -0.618 147 HE2 TYR 20 2HE TYR 20 3.693 8.483 1.199 148 HH TYR 20 HH TYR 20 1.600 11.105 1.136 149 H THR 21 H THR 21 1.912 2.668 -1.813 150 HA THR 21 HA THR 21 -0.457 1.551 -3.037 151 HB THR 21 HB THR 21 2.292 0.841 -4.124 152 HG1 THR 21 1HG THR 21 0.608 2.849 -4.793 153 HG21 THR 21 1HG2 THR 21 0.662 -0.984 -4.303 154 HG22 THR 21 2HG2 THR 21 1.052 -0.353 -5.904 155 HG23 THR 21 3HG2 THR 21 -0.467 0.093 -5.127 156 H CYS 22 H CYS 22 -0.560 -0.749 -2.449 157 HA CYS 22 HA CYS 22 0.528 -1.473 -0.005 158 HB2 CYS 22 HB3 CYS 22 -0.362 -3.240 -2.233 159 HB3 CYS 22 HB2 CYS 22 -0.189 -3.690 -0.557 160 H SER 23 H SER 23 2.441 -2.049 0.458 161 HA SER 23 HA SER 23 4.550 -2.467 -1.408 162 HB2 SER 23 HB3 SER 23 5.000 -1.404 0.735 163 HB3 SER 23 HB2 SER 23 4.371 -2.798 1.600 164 HG SER 23 HG SER 23 6.816 -2.301 0.616 165 H ARG 24 H ARG 24 5.622 -4.442 -1.823 166 HA ARG 24 HA ARG 24 4.035 -6.803 -1.183 167 HB2 ARG 24 HB3 ARG 24 4.826 -6.450 -3.544 168 HB3 ARG 24 HB2 ARG 24 6.478 -6.609 -2.971 169 HG2 ARG 24 2HG ARG 24 5.682 -8.675 -4.023 170 HG3 ARG 24 1HG ARG 24 6.049 -8.923 -2.314 171 HD2 ARG 24 2HD ARG 24 3.678 -8.726 -1.767 172 HD3 ARG 24 1HD ARG 24 3.298 -8.440 -3.463 173 HE ARG 24 HE ARG 24 4.478 -10.806 -3.609 174 HH11 ARG 24 1HH1 ARG 24 2.116 -9.674 -1.262 175 HH12 ARG 24 2HH1 ARG 24 1.337 -11.174 -1.089 176 HH21 ARG 24 1HH2 ARG 24 3.407 -12.888 -3.391 177 HH22 ARG 24 2HH2 ARG 24 2.054 -13.029 -2.370 178 H ARG 25 H ARG 25 6.735 -5.078 -0.184 179 HA ARG 25 HA ARG 25 8.173 -7.277 0.959 180 HB2 ARG 25 HB3 ARG 25 9.294 -5.319 -0.019 181 HB3 ARG 25 HB2 ARG 25 8.506 -4.287 1.154 182 HG2 ARG 25 2HG ARG 25 10.774 -4.691 1.789 183 HG3 ARG 25 1HG ARG 25 9.638 -5.423 2.938 184 HD2 ARG 25 2HD ARG 25 9.990 -7.608 1.953 185 HD3 ARG 25 1HD ARG 25 11.025 -6.914 0.707 186 HE ARG 25 HE ARG 25 11.890 -6.473 3.417 187 HH11 ARG 25 1HH1 ARG 25 11.990 -8.707 0.702 188 HH12 ARG 25 2HH1 ARG 25 13.554 -9.300 1.044 189 HH21 ARG 25 1HH2 ARG 25 13.986 -7.300 3.937 190 HH22 ARG 25 2HH2 ARG 25 14.707 -8.492 2.948 191 H ASP 26 H ASP 26 6.577 -4.336 2.127 192 HA ASP 26 HA ASP 26 6.457 -5.370 4.845 193 HB2 ASP 26 HB3 ASP 26 5.539 -2.758 3.642 194 HB3 ASP 26 HB2 ASP 26 5.298 -3.183 5.331 195 H ARG 27 H ARG 27 4.504 -5.231 2.089 196 HA ARG 27 HA ARG 27 2.573 -5.972 1.536 197 HB2 ARG 27 HB3 ARG 27 2.519 -7.286 4.238 198 HB3 ARG 27 HB2 ARG 27 1.318 -7.489 2.960 199 HG2 ARG 27 2HG ARG 27 3.014 -8.345 1.457 200 HG3 ARG 27 1HG ARG 27 4.230 -8.153 2.723 201 HD2 ARG 27 2HD ARG 27 3.085 -9.756 4.112 202 HD3 ARG 27 1HD ARG 27 1.777 -9.877 2.934 203 HE ARG 27 HE ARG 27 4.319 -10.462 1.809 204 HH11 ARG 27 1HH1 ARG 27 1.717 -11.877 3.720 205 HH12 ARG 27 2HH1 ARG 27 2.026 -13.474 3.216 206 HH21 ARG 27 1HH2 ARG 27 4.708 -12.559 1.077 207 HH22 ARG 27 2HH2 ARG 27 3.802 -13.898 1.631 208 H TRP 28 H TRP 28 2.831 -3.487 3.438 209 HA TRP 28 HA TRP 28 -0.062 -2.983 3.230 210 HB2 TRP 28 HB3 TRP 28 0.044 -1.518 5.203 211 HB3 TRP 28 HB2 TRP 28 0.386 -3.185 5.611 212 HD1 TRP 28 HD TRP 28 2.468 0.038 4.868 213 HE1 TRP 28 1HE TRP 28 4.399 0.106 6.609 214 HE3 TRP 28 3HE TRP 28 1.567 -4.358 7.317 215 HZ2 TRP 28 2HZ TRP 28 5.380 -1.463 8.696 216 HZ3 TRP 28 3HZ TRP 28 3.038 -4.987 9.182 217 HH2 TRP 28 HH TRP 28 4.903 -3.566 9.851 218 H CYS 29 H CYS 29 -0.537 -0.588 3.297 219 HA CYS 29 HA CYS 29 0.359 0.488 0.941 220 HB2 CYS 29 HB3 CYS 29 -0.892 1.547 3.402 221 HB3 CYS 29 HB2 CYS 29 -0.713 2.523 1.929 222 H LYS 30 H LYS 30 2.328 1.458 0.520 223 HA LYS 30 HA LYS 30 3.319 3.454 2.368 224 HB2 LYS 30 HB3 LYS 30 4.940 1.141 1.399 225 HB3 LYS 30 HB2 LYS 30 5.675 2.674 1.771 226 HG2 LYS 30 2HG LYS 30 4.841 2.419 4.104 227 HG3 LYS 30 1HG LYS 30 4.229 0.818 3.656 228 HD2 LYS 30 2HD LYS 30 6.446 0.071 3.086 229 HD3 LYS 30 1HD LYS 30 7.062 1.708 3.321 230 HE2 LYS 30 2HE LYS 30 6.532 1.570 5.694 231 HE3 LYS 30 1HE LYS 30 5.904 -0.061 5.458 232 HZ1 LYS 30 1HZ LYS 30 8.725 0.771 4.982 233 HZ2 LYS 30 2HZ LYS 30 8.097 -0.792 4.790 234 HZ3 LYS 30 3HZ LYS 30 8.145 -0.088 6.314 235 H TYR 31 H TYR 31 5.138 4.690 1.296 236 HA TYR 31 HA TYR 31 4.195 5.665 -1.189 237 HB2 TYR 31 HB3 TYR 31 5.453 7.049 0.483 238 HB3 TYR 31 HB2 TYR 31 6.897 6.116 0.124 239 HD1 TYR 31 1HD TYR 31 8.192 6.564 -1.856 240 HD2 TYR 31 2HD TYR 31 4.500 8.579 -1.221 241 HE1 TYR 31 1HE TYR 31 8.730 8.107 -3.676 242 HE2 TYR 31 2HE TYR 31 5.031 10.132 -3.043 243 HH TYR 31 HH TYR 31 7.102 10.978 -4.219 244 H ASP 32 H ASP 32 4.452 4.747 -3.055 245 HA ASP 32 HA ASP 32 6.673 2.852 -3.383 246 HB2 ASP 32 HB3 ASP 32 4.415 1.807 -3.390 247 HB3 ASP 32 HB2 ASP 32 4.004 2.789 -4.792 248 H LEU 33 H LEU 33 4.508 4.619 -5.423 249 HA LEU 33 HA LEU 33 6.824 5.722 -6.873 250 HB2 LEU 33 HB3 LEU 33 4.328 4.599 -8.153 251 HB3 LEU 33 HB2 LEU 33 5.594 5.450 -9.003 252 HG LEU 33 HG LEU 33 5.901 2.788 -7.620 253 HD11 LEU 33 HD11 LEU 33 5.723 3.479 -10.548 254 HD12 LEU 33 HD12 LEU 33 4.493 2.654 -9.596 255 HD13 LEU 33 HD13 LEU 33 6.049 1.878 -9.882 256 HD21 LEU 33 HD21 LEU 33 7.815 4.364 -9.341 257 HD22 LEU 33 HD22 LEU 33 8.080 2.720 -8.762 258 HD23 LEU 33 HD23 LEU 33 7.982 4.051 -7.614 259 HN1 NH2 34 HN1 NH2 34 6.083 7.376 -5.254 260 HN2 NH2 34 HN2 NH2 34 4.917 8.529 -5.804 Start of MODEL 9 1 H1 ASP 1 1HT ASP 1 -13.605 5.391 0.800 2 H2 ASP 1 2HT ASP 1 -13.345 5.272 -0.827 3 H3 ASP 1 3HT ASP 1 -14.166 6.626 -0.239 4 HA ASP 1 HA ASP 1 -11.929 7.200 -0.834 5 HB2 ASP 1 HB3 ASP 1 -12.204 6.913 2.165 6 HB3 ASP 1 HB2 ASP 1 -10.948 7.835 1.368 7 H CYS 2 H CYS 2 -9.701 6.806 -0.665 8 HA CYS 2 HA CYS 2 -9.151 4.004 -0.298 9 HB2 CYS 2 HB3 CYS 2 -6.904 4.651 -1.133 10 HB3 CYS 2 HB2 CYS 2 -8.229 4.768 -2.282 11 H LEU 3 H LEU 3 -6.755 3.669 0.541 12 HA LEU 3 HA LEU 3 -6.911 4.411 3.329 13 HB2 LEU 3 HB3 LEU 3 -5.007 2.575 1.954 14 HB3 LEU 3 HB2 LEU 3 -5.504 2.600 3.629 15 HG LEU 3 HG LEU 3 -7.257 1.892 1.328 16 HD11 LEU 3 HD11 LEU 3 -5.821 0.138 3.355 17 HD12 LEU 3 HD12 LEU 3 -5.513 0.204 1.617 18 HD13 LEU 3 HD13 LEU 3 -7.032 -0.450 2.220 19 HD21 LEU 3 HD21 LEU 3 -8.529 2.744 3.197 20 HD22 LEU 3 HD22 LEU 3 -7.685 1.665 4.308 21 HD23 LEU 3 HD23 LEU 3 -8.765 0.999 3.080 22 H GLY 4 H GLY 4 -5.203 5.423 4.392 23 HA2 GLY 4 2HA GLY 4 -3.128 6.676 2.877 24 HA3 GLY 4 1HA GLY 4 -3.337 6.691 4.641 25 H TRP 5 H TRP 5 -0.767 6.100 3.613 26 HA TRP 5 HA TRP 5 -0.724 3.353 3.289 27 HB2 TRP 5 HB3 TRP 5 1.317 3.641 2.463 28 HB3 TRP 5 HB2 TRP 5 0.651 5.202 2.165 29 HD1 TRP 5 HD TRP 5 3.467 3.483 3.856 30 HE1 TRP 5 1HE TRP 5 5.094 5.130 4.782 31 HE3 TRP 5 3HE TRP 5 0.547 7.651 3.472 32 HZ2 TRP 5 2HZ TRP 5 5.136 7.948 5.391 33 HZ3 TRP 5 3HZ TRP 5 1.454 9.780 4.279 34 HH2 TRP 5 HH TRP 5 3.697 9.921 5.214 35 H PHE 6 H PHE 6 1.244 2.352 4.431 36 HA PHE 6 HA PHE 6 2.062 1.289 6.176 37 HB2 PHE 6 HB3 PHE 6 2.444 3.577 7.248 38 HB3 PHE 6 HB2 PHE 6 0.905 3.369 8.072 39 HD1 PHE 6 1HD PHE 6 4.359 2.158 7.800 40 HD2 PHE 6 2HD PHE 6 0.712 1.887 9.973 41 HE1 PHE 6 1HE PHE 6 5.516 0.930 9.585 42 HE2 PHE 6 2HE PHE 6 1.867 0.658 11.761 43 HZ PHE 6 HZ PHE 6 4.281 0.178 11.562 44 H LYS 7 H LYS 7 -1.224 1.947 5.799 45 HA LYS 7 HA LYS 7 -2.138 0.034 7.680 46 HB2 LYS 7 HB3 LYS 7 -3.517 1.164 5.277 47 HB3 LYS 7 HB2 LYS 7 -4.265 0.395 6.650 48 HG2 LYS 7 2HG LYS 7 -2.730 2.975 6.846 49 HG3 LYS 7 1HG LYS 7 -4.474 2.889 6.671 50 HD2 LYS 7 2HD LYS 7 -2.893 1.659 8.947 51 HD3 LYS 7 1HD LYS 7 -3.708 3.214 9.034 52 HE2 LYS 7 2HE LYS 7 -5.022 0.527 8.598 53 HE3 LYS 7 1HE LYS 7 -5.059 1.486 10.071 54 HZ1 LYS 7 1HZ LYS 7 -7.085 1.776 8.840 55 HZ2 LYS 7 2HZ LYS 7 -6.261 2.212 7.463 56 HZ3 LYS 7 3HZ LYS 7 -6.245 3.239 8.790 57 H SER 8 H SER 8 -2.765 -1.867 7.202 58 HA SER 8 HA SER 8 -1.249 -3.403 5.338 59 HB2 SER 8 HB3 SER 8 -2.020 -4.232 7.595 60 HB3 SER 8 HB2 SER 8 -3.649 -4.337 6.923 61 HG SER 8 HG SER 8 -1.498 -5.994 6.643 62 H CYS 9 H CYS 9 -1.878 -4.500 3.520 63 HA CYS 9 HA CYS 9 -4.431 -4.176 2.355 64 HB2 CYS 9 HB3 CYS 9 -3.665 -1.903 2.109 65 HB3 CYS 9 HB2 CYS 9 -2.144 -2.453 1.377 66 H ASP 10 H ASP 10 -3.964 -4.526 -0.064 67 HA ASP 10 HA ASP 10 -2.003 -6.706 -0.446 68 HB2 ASP 10 HB3 ASP 10 -4.238 -7.707 -0.100 69 HB3 ASP 10 HB2 ASP 10 -4.859 -6.736 -1.426 70 HA PRO 11 HA PRO 11 -0.900 -4.095 -3.838 71 HB2 PRO 11 HB3 PRO 11 0.454 -5.973 -5.324 72 HB3 PRO 11 HB2 PRO 11 1.132 -5.102 -3.944 73 HG2 PRO 11 2HG PRO 11 -0.057 -7.847 -4.040 74 HG3 PRO 11 1HG PRO 11 1.396 -7.283 -3.200 75 HD2 PRO 11 2HD PRO 11 -0.891 -7.684 -1.905 76 HD3 PRO 11 1HD PRO 11 0.184 -6.337 -1.472 77 H LYS 12 H LYS 12 -2.561 -7.208 -4.539 78 HA LYS 12 HA LYS 12 -3.057 -6.394 -7.227 79 HB2 LYS 12 HB3 LYS 12 -3.576 -8.818 -5.562 80 HB3 LYS 12 HB2 LYS 12 -4.320 -8.614 -7.124 81 HG2 LYS 12 2HG LYS 12 -2.397 -10.031 -7.393 82 HG3 LYS 12 1HG LYS 12 -1.992 -8.468 -8.088 83 HD2 LYS 12 2HD LYS 12 -0.748 -7.873 -6.099 84 HD3 LYS 12 1HD LYS 12 -1.201 -9.390 -5.327 85 HE2 LYS 12 2HE LYS 12 0.435 -9.100 -7.841 86 HE3 LYS 12 1HE LYS 12 1.079 -9.454 -6.241 87 HZ1 LYS 12 1HZ LYS 12 -0.209 -11.530 -6.255 88 HZ2 LYS 12 2HZ LYS 12 0.872 -11.466 -7.537 89 HZ3 LYS 12 3HZ LYS 12 -0.752 -11.194 -7.816 90 H ASN 13 H ASN 13 -4.408 -6.198 -4.159 91 HA ASN 13 HA ASN 13 -7.050 -5.463 -5.274 92 HB2 ASN 13 HB3 ASN 13 -7.001 -7.647 -3.939 93 HB3 ASN 13 HB2 ASN 13 -6.525 -6.696 -2.541 94 HD21 ASN 13 HD21 ASN 13 -8.323 -7.221 -1.372 95 HD22 ASN 13 HD22 ASN 13 -9.906 -6.642 -1.736 96 H ASP 14 H ASP 14 -5.028 -3.797 -5.179 97 HA ASP 14 HA ASP 14 -4.352 -2.418 -2.850 98 HB2 ASP 14 HB3 ASP 14 -3.186 -2.353 -4.966 99 HB3 ASP 14 HB2 ASP 14 -4.486 -1.332 -5.628 100 H LYS 15 H LYS 15 -5.285 -1.039 -1.755 101 HA LYS 15 HA LYS 15 -7.697 0.342 -2.714 102 HB2 LYS 15 HB3 LYS 15 -7.135 -0.645 0.073 103 HB3 LYS 15 HB2 LYS 15 -8.562 0.213 -0.463 104 HG2 LYS 15 2HG LYS 15 -7.711 -2.561 -1.273 105 HG3 LYS 15 1HG LYS 15 -9.017 -2.161 -0.163 106 HD2 LYS 15 2HD LYS 15 -10.212 -1.056 -2.010 107 HD3 LYS 15 1HD LYS 15 -8.896 -1.491 -3.104 108 HE2 LYS 15 2HE LYS 15 -9.293 -3.880 -2.528 109 HE3 LYS 15 1HE LYS 15 -10.706 -3.374 -1.606 110 HZ1 LYS 15 1HZ LYS 15 -11.628 -2.450 -3.659 111 HZ2 LYS 15 2HZ LYS 15 -11.353 -4.092 -3.798 112 HZ3 LYS 15 3HZ LYS 15 -10.294 -3.000 -4.519 113 H CYS 16 H CYS 16 -4.661 0.973 -2.357 114 HA CYS 16 HA CYS 16 -4.793 2.934 -0.223 115 HB2 CYS 16 HB3 CYS 16 -2.845 1.303 -0.508 116 HB3 CYS 16 HB2 CYS 16 -2.416 2.226 -1.943 117 H CYS 17 H CYS 17 -3.981 5.132 -0.699 118 HA CYS 17 HA CYS 17 -5.280 6.154 -2.935 119 HB2 CYS 17 HB3 CYS 17 -3.525 7.351 -0.813 120 HB3 CYS 17 HB2 CYS 17 -4.359 8.289 -2.047 121 H LYS 18 H LYS 18 -4.029 7.973 -4.096 122 HA LYS 18 HA LYS 18 -2.297 6.826 -5.932 123 HB2 LYS 18 HB3 LYS 18 -3.895 8.679 -6.290 124 HB3 LYS 18 HB2 LYS 18 -2.809 9.716 -5.372 125 HG2 LYS 18 2HG LYS 18 -1.081 9.468 -6.989 126 HG3 LYS 18 1HG LYS 18 -1.996 8.230 -7.850 127 HD2 LYS 18 2HD LYS 18 -2.208 10.277 -9.026 128 HD3 LYS 18 1HD LYS 18 -3.729 9.819 -8.224 129 HE2 LYS 18 2HE LYS 18 -3.356 11.426 -6.463 130 HE3 LYS 18 1HE LYS 18 -1.758 11.808 -7.095 131 HZ1 LYS 18 1HZ LYS 18 -4.338 12.365 -8.445 132 HZ2 LYS 18 2HZ LYS 18 -2.811 12.765 -9.048 133 HZ3 LYS 18 3HZ LYS 18 -3.382 13.485 -7.637 134 H ASN 19 H ASN 19 -0.219 7.411 -6.305 135 HA ASN 19 HA ASN 19 1.983 7.942 -5.983 136 HB2 ASN 19 HB3 ASN 19 1.432 10.155 -5.164 137 HB3 ASN 19 HB2 ASN 19 0.975 9.513 -3.597 138 HD21 ASN 19 HD21 ASN 19 2.531 9.235 -2.049 139 HD22 ASN 19 HD22 ASN 19 4.170 9.695 -2.265 140 H TYR 20 H TYR 20 0.247 6.600 -3.432 141 HA TYR 20 HA TYR 20 2.567 5.149 -2.482 142 HB2 TYR 20 HB3 TYR 20 -0.240 5.424 -1.414 143 HB3 TYR 20 HB2 TYR 20 1.072 4.550 -0.644 144 HD1 TYR 20 1HD TYR 20 -0.496 7.748 -1.070 145 HD2 TYR 20 2HD TYR 20 3.139 5.864 0.066 146 HE1 TYR 20 1HE TYR 20 0.231 9.816 -0.004 147 HE2 TYR 20 2HE TYR 20 3.880 7.929 1.146 148 HH TYR 20 HH TYR 20 1.772 10.557 1.700 149 H THR 21 H THR 21 1.956 2.761 -1.982 150 HA THR 21 HA THR 21 -0.025 1.600 -3.751 151 HB THR 21 HB THR 21 2.822 0.700 -3.948 152 HG1 THR 21 1HG THR 21 1.513 2.803 -5.206 153 HG21 THR 21 1HG2 THR 21 0.446 0.320 -5.769 154 HG22 THR 21 2HG2 THR 21 1.092 -0.868 -4.639 155 HG23 THR 21 3HG2 THR 21 2.052 -0.366 -6.030 156 H CYS 22 H CYS 22 -0.561 -0.477 -2.983 157 HA CYS 22 HA CYS 22 0.295 -1.152 -0.376 158 HB2 CYS 22 HB3 CYS 22 -1.223 -2.737 -2.381 159 HB3 CYS 22 HB2 CYS 22 -1.142 -3.049 -0.665 160 H SER 23 H SER 23 1.981 -2.271 0.121 161 HA SER 23 HA SER 23 3.669 -3.311 -1.980 162 HB2 SER 23 HB3 SER 23 4.699 -1.826 -0.299 163 HB3 SER 23 HB2 SER 23 4.210 -2.921 0.984 164 HG SER 23 HG SER 23 6.369 -2.981 -0.621 165 H ARG 24 H ARG 24 4.497 -5.409 -1.955 166 HA ARG 24 HA ARG 24 2.720 -7.316 -0.680 167 HB2 ARG 24 HB3 ARG 24 3.281 -7.627 -3.107 168 HB3 ARG 24 HB2 ARG 24 4.954 -7.817 -2.656 169 HG2 ARG 24 2HG ARG 24 3.898 -9.969 -3.107 170 HG3 ARG 24 1HG ARG 24 4.471 -9.846 -1.445 171 HD2 ARG 24 2HD ARG 24 2.182 -9.339 -0.698 172 HD3 ARG 24 1HD ARG 24 1.613 -9.470 -2.362 173 HE ARG 24 HE ARG 24 2.910 -11.822 -1.794 174 HH11 ARG 24 1HH1 ARG 24 0.060 -10.126 -0.484 175 HH12 ARG 24 2HH1 ARG 24 -0.712 -11.543 0.013 176 HH21 ARG 24 1HH2 ARG 24 1.825 -13.740 -1.151 177 HH22 ARG 24 2HH2 ARG 24 0.304 -13.680 -0.392 178 H ARG 25 H ARG 25 5.895 -6.088 -0.462 179 HA ARG 25 HA ARG 25 7.067 -8.213 1.008 180 HB2 ARG 25 HB3 ARG 25 8.305 -6.451 -0.288 181 HB3 ARG 25 HB2 ARG 25 7.884 -5.315 0.990 182 HG2 ARG 25 2HG ARG 25 8.948 -6.950 2.571 183 HG3 ARG 25 1HG ARG 25 9.607 -7.734 1.130 184 HD2 ARG 25 2HD ARG 25 11.287 -6.231 1.926 185 HD3 ARG 25 1HD ARG 25 10.572 -5.499 0.491 186 HE ARG 25 HE ARG 25 9.103 -4.349 2.383 187 HH11 ARG 25 1HH1 ARG 25 12.604 -4.656 2.093 188 HH12 ARG 25 2HH1 ARG 25 12.951 -3.408 3.195 189 HH21 ARG 25 1HH2 ARG 25 9.541 -2.732 3.943 190 HH22 ARG 25 2HH2 ARG 25 11.159 -2.300 4.314 191 H ASP 26 H ASP 26 6.103 -4.948 1.935 192 HA ASP 26 HA ASP 26 6.356 -5.485 4.736 193 HB2 ASP 26 HB3 ASP 26 5.179 -3.113 3.270 194 HB3 ASP 26 HB2 ASP 26 5.531 -3.168 4.992 195 H ARG 27 H ARG 27 3.935 -5.830 2.398 196 HA ARG 27 HA ARG 27 1.874 -6.537 2.333 197 HB2 ARG 27 HB3 ARG 27 2.144 -7.066 5.294 198 HB3 ARG 27 HB2 ARG 27 0.876 -7.649 4.210 199 HG2 ARG 27 2HG ARG 27 2.432 -9.003 2.992 200 HG3 ARG 27 1HG ARG 27 3.789 -8.335 3.902 201 HD2 ARG 27 2HD ARG 27 3.217 -10.533 4.750 202 HD3 ARG 27 1HD ARG 27 2.856 -9.300 5.958 203 HE ARG 27 HE ARG 27 0.743 -10.272 4.205 204 HH11 ARG 27 1HH1 ARG 27 2.110 -10.087 7.463 205 HH12 ARG 27 2HH1 ARG 27 0.692 -10.637 8.224 206 HH21 ARG 27 1HH2 ARG 27 -1.160 -11.003 5.234 207 HH22 ARG 27 2HH2 ARG 27 -1.225 -11.168 6.934 208 H TRP 28 H TRP 28 2.750 -3.784 3.431 209 HA TRP 28 HA TRP 28 0.034 -2.931 3.573 210 HB2 TRP 28 HB3 TRP 28 0.629 -1.137 5.248 211 HB3 TRP 28 HB2 TRP 28 0.512 -2.760 5.866 212 HD1 TRP 28 HD TRP 28 3.375 -0.310 4.820 213 HE1 TRP 28 1HE TRP 28 5.268 -0.630 6.637 214 HE3 TRP 28 3HE TRP 28 1.336 -4.086 7.563 215 HZ2 TRP 28 2HZ TRP 28 5.772 -2.234 8.835 216 HZ3 TRP 28 3HZ TRP 28 2.559 -4.945 9.493 217 HH2 TRP 28 HH TRP 28 4.742 -4.041 10.116 218 H CYS 29 H CYS 29 -0.130 -0.539 3.232 219 HA CYS 29 HA CYS 29 1.190 -0.104 0.767 220 HB2 CYS 29 HB3 CYS 29 -1.127 0.524 0.968 221 HB3 CYS 29 HB2 CYS 29 -0.757 1.602 2.311 222 H LYS 30 H LYS 30 2.673 1.272 0.213 223 HA LYS 30 HA LYS 30 3.680 3.247 2.036 224 HB2 LYS 30 HB3 LYS 30 5.311 0.941 1.040 225 HB3 LYS 30 HB2 LYS 30 6.035 2.475 1.445 226 HG2 LYS 30 2HG LYS 30 5.149 2.193 3.754 227 HG3 LYS 30 1HG LYS 30 4.544 0.603 3.265 228 HD2 LYS 30 2HD LYS 30 6.714 -0.211 2.882 229 HD3 LYS 30 1HD LYS 30 7.420 1.402 2.985 230 HE2 LYS 30 2HE LYS 30 6.736 1.509 5.352 231 HE3 LYS 30 1HE LYS 30 6.106 -0.130 5.204 232 HZ1 LYS 30 1HZ LYS 30 8.368 0.048 6.180 233 HZ2 LYS 30 2HZ LYS 30 8.934 0.538 4.660 234 HZ3 LYS 30 3HZ LYS 30 8.224 -0.982 4.865 235 H TYR 31 H TYR 31 5.573 4.351 0.856 236 HA TYR 31 HA TYR 31 4.529 5.353 -1.572 237 HB2 TYR 31 HB3 TYR 31 5.798 6.780 -0.056 238 HB3 TYR 31 HB2 TYR 31 7.197 5.728 -0.206 239 HD1 TYR 31 1HD TYR 31 4.944 7.815 -2.283 240 HD2 TYR 31 2HD TYR 31 8.858 6.279 -1.745 241 HE1 TYR 31 1HE TYR 31 5.716 9.152 -4.155 242 HE2 TYR 31 2HE TYR 31 9.656 7.618 -3.631 243 HH TYR 31 HH TYR 31 8.651 8.645 -5.672 244 H ASP 32 H ASP 32 4.653 4.329 -3.433 245 HA ASP 32 HA ASP 32 7.169 3.032 -4.148 246 HB2 ASP 32 HB3 ASP 32 5.541 1.235 -3.525 247 HB3 ASP 32 HB2 ASP 32 4.458 1.832 -4.774 248 H LEU 33 H LEU 33 4.152 3.338 -5.825 249 HA LEU 33 HA LEU 33 5.094 5.582 -7.351 250 HB2 LEU 33 HB3 LEU 33 6.243 3.763 -8.519 251 HB3 LEU 33 HB2 LEU 33 4.730 2.928 -8.770 252 HG LEU 33 HG LEU 33 3.975 4.778 -10.229 253 HD11 LEU 33 HD11 LEU 33 5.275 6.593 -9.281 254 HD12 LEU 33 HD12 LEU 33 5.603 6.431 -11.005 255 HD13 LEU 33 HD13 LEU 33 6.768 5.830 -9.827 256 HD21 LEU 33 HD21 LEU 33 5.443 4.253 -12.108 257 HD22 LEU 33 HD22 LEU 33 5.033 2.803 -11.190 258 HD23 LEU 33 HD23 LEU 33 6.619 3.550 -10.999 259 HN1 NH2 34 HN1 NH2 34 2.829 3.107 -8.413 260 HN2 NH2 34 HN2 NH2 34 1.412 4.079 -8.272 Start of MODEL 10 1 H1 ASP 1 1HT ASP 1 -14.094 7.058 -0.531 2 H2 ASP 1 2HT ASP 1 -13.356 5.720 0.242 3 H3 ASP 1 3HT ASP 1 -13.138 5.957 -1.401 4 HA ASP 1 HA ASP 1 -11.851 7.917 -1.035 5 HB2 ASP 1 HB3 ASP 1 -12.259 7.301 1.908 6 HB3 ASP 1 HB2 ASP 1 -11.219 8.556 1.251 7 H CYS 2 H CYS 2 -9.602 7.666 -0.730 8 HA CYS 2 HA CYS 2 -8.951 4.860 -0.542 9 HB2 CYS 2 HB3 CYS 2 -6.755 5.581 -1.199 10 HB3 CYS 2 HB2 CYS 2 -7.996 5.832 -2.422 11 H LEU 3 H LEU 3 -6.700 4.465 0.391 12 HA LEU 3 HA LEU 3 -6.798 5.325 3.165 13 HB2 LEU 3 HB3 LEU 3 -5.248 3.107 1.926 14 HB3 LEU 3 HB2 LEU 3 -5.785 3.310 3.577 15 HG LEU 3 HG LEU 3 -7.590 2.857 1.263 16 HD11 LEU 3 HD11 LEU 3 -6.145 0.882 1.617 17 HD12 LEU 3 HD12 LEU 3 -7.774 0.498 2.158 18 HD13 LEU 3 HD13 LEU 3 -6.523 0.882 3.338 19 HD21 LEU 3 HD21 LEU 3 -8.077 2.730 4.246 20 HD22 LEU 3 HD22 LEU 3 -9.249 2.248 3.020 21 HD23 LEU 3 HD23 LEU 3 -8.714 3.928 3.115 22 H GLY 4 H GLY 4 -4.869 6.040 4.142 23 HA2 GLY 4 2HA GLY 4 -2.656 6.788 2.478 24 HA3 GLY 4 1HA GLY 4 -2.799 6.997 4.234 25 H TRP 5 H TRP 5 -0.381 5.908 3.604 26 HA TRP 5 HA TRP 5 -0.787 3.194 3.278 27 HB2 TRP 5 HB3 TRP 5 1.336 3.105 2.664 28 HB3 TRP 5 HB2 TRP 5 0.948 4.729 2.244 29 HD1 TRP 5 HD TRP 5 3.315 2.685 4.158 30 HE1 TRP 5 1HE TRP 5 5.154 4.102 5.130 31 HE3 TRP 5 3HE TRP 5 1.141 7.249 3.488 32 HZ2 TRP 5 2HZ TRP 5 5.618 6.897 5.645 33 HZ3 TRP 5 3HZ TRP 5 2.336 9.239 4.269 34 HH2 TRP 5 HH TRP 5 4.529 9.062 5.324 35 H PHE 6 H PHE 6 1.012 1.946 4.694 36 HA PHE 6 HA PHE 6 1.378 0.830 6.557 37 HB2 PHE 6 HB3 PHE 6 0.156 3.193 7.985 38 HB3 PHE 6 HB2 PHE 6 0.533 1.685 8.805 39 HD1 PHE 6 1HD PHE 6 1.850 4.775 7.478 40 HD2 PHE 6 2HD PHE 6 2.882 0.925 8.961 41 HE1 PHE 6 1HE PHE 6 4.153 5.544 7.873 42 HE2 PHE 6 2HE PHE 6 5.175 1.676 9.355 43 HZ PHE 6 HZ PHE 6 5.822 4.002 8.813 44 H LYS 7 H LYS 7 -1.677 1.618 5.403 45 HA LYS 7 HA LYS 7 -3.168 -0.035 7.096 46 HB2 LYS 7 HB3 LYS 7 -3.735 1.077 4.362 47 HB3 LYS 7 HB2 LYS 7 -4.908 0.322 5.425 48 HG2 LYS 7 2HG LYS 7 -3.364 2.812 6.074 49 HG3 LYS 7 1HG LYS 7 -5.005 2.792 5.449 50 HD2 LYS 7 2HD LYS 7 -5.689 1.480 7.454 51 HD3 LYS 7 1HD LYS 7 -4.039 1.616 8.065 52 HE2 LYS 7 2HE LYS 7 -4.269 4.066 8.053 53 HE3 LYS 7 1HE LYS 7 -5.935 3.886 7.508 54 HZ1 LYS 7 1HZ LYS 7 -6.391 2.633 9.557 55 HZ2 LYS 7 2HZ LYS 7 -5.908 4.204 9.849 56 HZ3 LYS 7 3HZ LYS 7 -4.818 2.944 10.095 57 H SER 8 H SER 8 -4.170 -1.837 6.430 58 HA SER 8 HA SER 8 -2.481 -3.764 5.207 59 HB2 SER 8 HB3 SER 8 -5.211 -3.966 6.428 60 HB3 SER 8 HB2 SER 8 -4.062 -5.276 6.142 61 HG SER 8 HG SER 8 -4.279 -3.735 8.253 62 H CYS 9 H CYS 9 -2.682 -4.446 3.114 63 HA CYS 9 HA CYS 9 -5.150 -4.752 1.874 64 HB2 CYS 9 HB3 CYS 9 -4.436 -3.405 -0.070 65 HB3 CYS 9 HB2 CYS 9 -4.977 -2.446 1.301 66 H ASP 10 H ASP 10 -4.386 -5.219 -0.578 67 HA ASP 10 HA ASP 10 -2.033 -6.999 -0.407 68 HB2 ASP 10 HB3 ASP 10 -4.213 -8.277 -0.452 69 HB3 ASP 10 HB2 ASP 10 -4.583 -7.503 -1.984 70 HA PRO 11 HA PRO 11 -0.626 -4.520 -3.872 71 HB2 PRO 11 HB3 PRO 11 0.764 -6.537 -5.224 72 HB3 PRO 11 HB2 PRO 11 1.420 -5.540 -3.920 73 HG2 PRO 11 2HG PRO 11 0.233 -8.264 -3.787 74 HG3 PRO 11 1HG PRO 11 1.668 -7.619 -2.966 75 HD2 PRO 11 2HD PRO 11 -0.614 -7.917 -1.664 76 HD3 PRO 11 1HD PRO 11 0.383 -6.471 -1.391 77 H LYS 12 H LYS 12 -2.469 -7.535 -4.442 78 HA LYS 12 HA LYS 12 -3.020 -6.796 -7.138 79 HB2 LYS 12 HB3 LYS 12 -2.920 -9.174 -6.185 80 HB3 LYS 12 HB2 LYS 12 -4.478 -8.830 -5.457 81 HG2 LYS 12 2HG LYS 12 -4.857 -10.003 -7.495 82 HG3 LYS 12 1HG LYS 12 -5.345 -8.317 -7.729 83 HD2 LYS 12 2HD LYS 12 -3.077 -7.880 -8.631 84 HD3 LYS 12 1HD LYS 12 -2.776 -9.598 -8.568 85 HE2 LYS 12 2HE LYS 12 -4.948 -8.248 -10.185 86 HE3 LYS 12 1HE LYS 12 -3.448 -8.906 -10.825 87 HZ1 LYS 12 1HZ LYS 12 -5.632 -10.463 -9.540 88 HZ2 LYS 12 2HZ LYS 12 -4.182 -11.114 -10.117 89 HZ3 LYS 12 3HZ LYS 12 -5.268 -10.395 -11.180 90 H ASN 13 H ASN 13 -4.299 -6.231 -4.019 91 HA ASN 13 HA ASN 13 -6.693 -5.033 -5.175 92 HB2 ASN 13 HB3 ASN 13 -7.239 -7.257 -4.130 93 HB3 ASN 13 HB2 ASN 13 -6.697 -6.604 -2.589 94 HD21 ASN 13 HD21 ASN 13 -9.114 -6.444 -5.065 95 HD22 ASN 13 HD22 ASN 13 -10.297 -5.615 -4.134 96 H ASP 14 H ASP 14 -5.431 -3.221 -5.081 97 HA ASP 14 HA ASP 14 -4.529 -2.142 -2.529 98 HB2 ASP 14 HB3 ASP 14 -3.166 -2.006 -4.586 99 HB3 ASP 14 HB2 ASP 14 -4.417 -0.975 -5.297 100 H LYS 15 H LYS 15 -5.394 -0.382 -1.622 101 HA LYS 15 HA LYS 15 -7.797 0.812 -2.791 102 HB2 LYS 15 HB3 LYS 15 -7.443 -0.241 0.003 103 HB3 LYS 15 HB2 LYS 15 -8.770 0.780 -0.515 104 HG2 LYS 15 2HG LYS 15 -9.501 -0.963 -2.071 105 HG3 LYS 15 1HG LYS 15 -8.129 -1.963 -1.594 106 HD2 LYS 15 2HD LYS 15 -9.000 -2.013 0.709 107 HD3 LYS 15 1HD LYS 15 -10.393 -1.066 0.182 108 HE2 LYS 15 2HE LYS 15 -11.019 -2.833 -1.376 109 HE3 LYS 15 1HE LYS 15 -9.615 -3.772 -0.892 110 HZ1 LYS 15 1HZ LYS 15 -10.554 -3.899 1.351 111 HZ2 LYS 15 2HZ LYS 15 -11.584 -4.569 0.209 112 HZ3 LYS 15 3HZ LYS 15 -11.920 -3.055 0.844 113 H CYS 16 H CYS 16 -4.838 1.498 -2.217 114 HA CYS 16 HA CYS 16 -5.074 3.579 -0.231 115 HB2 CYS 16 HB3 CYS 16 -2.739 2.603 -1.869 116 HB3 CYS 16 HB2 CYS 16 -2.666 3.824 -0.598 117 H CYS 17 H CYS 17 -3.987 5.709 -0.842 118 HA CYS 17 HA CYS 17 -5.210 6.740 -3.140 119 HB2 CYS 17 HB3 CYS 17 -3.183 7.903 -1.219 120 HB3 CYS 17 HB2 CYS 17 -4.138 8.801 -2.388 121 H LYS 18 H LYS 18 -3.493 8.318 -4.372 122 HA LYS 18 HA LYS 18 -2.079 6.545 -6.000 123 HB2 LYS 18 HB3 LYS 18 -3.185 8.635 -6.738 124 HB3 LYS 18 HB2 LYS 18 -1.953 9.560 -5.897 125 HG2 LYS 18 2HG LYS 18 -1.487 9.508 -8.268 126 HG3 LYS 18 1HG LYS 18 -0.249 8.608 -7.396 127 HD2 LYS 18 2HD LYS 18 -0.897 7.420 -9.413 128 HD3 LYS 18 1HD LYS 18 -1.377 6.498 -7.997 129 HE2 LYS 18 2HE LYS 18 -3.115 6.481 -9.730 130 HE3 LYS 18 1HE LYS 18 -3.691 7.275 -8.268 131 HZ1 LYS 18 1HZ LYS 18 -4.287 8.452 -10.334 132 HZ2 LYS 18 2HZ LYS 18 -2.664 8.716 -10.669 133 HZ3 LYS 18 3HZ LYS 18 -3.375 9.409 -9.321 134 H ASN 19 H ASN 19 0.001 6.418 -6.313 135 HA ASN 19 HA ASN 19 2.237 6.336 -6.055 136 HB2 ASN 19 HB3 ASN 19 1.924 8.518 -3.994 137 HB3 ASN 19 HB2 ASN 19 3.470 7.816 -4.462 138 HD21 ASN 19 HD21 ASN 19 0.919 9.936 -5.340 139 HD22 ASN 19 HD22 ASN 19 1.627 10.559 -6.770 140 H TYR 20 H TYR 20 0.251 6.044 -3.346 141 HA TYR 20 HA TYR 20 2.099 4.316 -1.997 142 HB2 TYR 20 HB3 TYR 20 -0.860 4.563 -1.483 143 HB3 TYR 20 HB2 TYR 20 0.411 3.983 -0.423 144 HD1 TYR 20 1HD TYR 20 2.190 5.655 0.338 145 HD2 TYR 20 2HD TYR 20 -1.528 6.779 -1.326 146 HE1 TYR 20 1HE TYR 20 2.414 7.868 1.367 147 HE2 TYR 20 2HE TYR 20 -1.325 9.018 -0.305 148 HH TYR 20 HH TYR 20 1.572 10.145 1.016 149 H THR 21 H THR 21 1.868 2.133 -1.898 150 HA THR 21 HA THR 21 -0.201 0.742 -3.357 151 HB THR 21 HB THR 21 2.677 0.188 -4.005 152 HG1 THR 21 1HG THR 21 0.928 2.052 -5.042 153 HG21 THR 21 1HG2 THR 21 1.731 -1.076 -5.912 154 HG22 THR 21 2HG2 THR 21 0.108 -0.668 -5.360 155 HG23 THR 21 3HG2 THR 21 1.151 -1.675 -4.360 156 H CYS 22 H CYS 22 -0.391 -1.280 -2.568 157 HA CYS 22 HA CYS 22 0.678 -1.969 -0.059 158 HB2 CYS 22 HB3 CYS 22 -0.510 -3.834 -2.038 159 HB3 CYS 22 HB2 CYS 22 -0.565 -3.893 -0.286 160 H SER 23 H SER 23 2.436 -2.821 0.477 161 HA SER 23 HA SER 23 4.417 -3.665 -1.445 162 HB2 SER 23 HB3 SER 23 5.010 -2.152 0.427 163 HB3 SER 23 HB2 SER 23 4.424 -3.332 1.581 164 HG SER 23 HG SER 23 6.706 -3.409 1.401 165 H ARG 24 H ARG 24 4.850 -5.844 -1.797 166 HA ARG 24 HA ARG 24 3.330 -7.762 -0.320 167 HB2 ARG 24 HB3 ARG 24 3.669 -8.278 -2.663 168 HB3 ARG 24 HB2 ARG 24 5.409 -8.113 -2.502 169 HG2 ARG 24 2HG ARG 24 4.689 -10.472 -2.709 170 HG3 ARG 24 1HG ARG 24 5.533 -10.149 -1.198 171 HD2 ARG 24 2HD ARG 24 3.631 -11.579 -0.755 172 HD3 ARG 24 1HD ARG 24 3.335 -9.993 -0.052 173 HE ARG 24 HE ARG 24 2.270 -10.496 -2.694 174 HH11 ARG 24 1HH1 ARG 24 1.570 -10.225 0.796 175 HH12 ARG 24 2HH1 ARG 24 -0.115 -10.215 0.589 176 HH21 ARG 24 1HH2 ARG 24 -0.048 -10.533 -2.933 177 HH22 ARG 24 2HH2 ARG 24 -1.070 -10.380 -1.593 178 H ARG 25 H ARG 25 6.430 -6.413 -0.353 179 HA ARG 25 HA ARG 25 7.970 -8.242 1.103 180 HB2 ARG 25 HB3 ARG 25 8.860 -6.398 -0.219 181 HB3 ARG 25 HB2 ARG 25 8.109 -5.248 0.863 182 HG2 ARG 25 2HG ARG 25 9.501 -6.028 2.675 183 HG3 ARG 25 1HG ARG 25 10.283 -7.170 1.572 184 HD2 ARG 25 2HD ARG 25 11.073 -5.335 0.195 185 HD3 ARG 25 1HD ARG 25 10.239 -4.175 1.227 186 HE ARG 25 HE ARG 25 12.071 -5.829 2.639 187 HH11 ARG 25 1HH1 ARG 25 11.838 -2.913 0.653 188 HH12 ARG 25 2HH1 ARG 25 13.177 -2.128 1.322 189 HH21 ARG 25 1HH2 ARG 25 13.973 -4.777 3.561 190 HH22 ARG 25 2HH2 ARG 25 14.431 -3.221 3.054 191 H ASP 26 H ASP 26 6.317 -5.315 2.098 192 HA ASP 26 HA ASP 26 6.709 -5.926 4.932 193 HB2 ASP 26 HB3 ASP 26 5.379 -3.529 3.665 194 HB3 ASP 26 HB2 ASP 26 5.871 -3.688 5.346 195 H ARG 27 H ARG 27 4.347 -6.213 2.513 196 HA ARG 27 HA ARG 27 2.376 -7.050 2.368 197 HB2 ARG 27 HB3 ARG 27 2.575 -7.715 5.297 198 HB3 ARG 27 HB2 ARG 27 1.329 -8.255 4.168 199 HG2 ARG 27 2HG ARG 27 2.976 -9.449 2.858 200 HG3 ARG 27 1HG ARG 27 4.262 -8.872 3.914 201 HD2 ARG 27 2HD ARG 27 1.969 -10.661 4.710 202 HD3 ARG 27 1HD ARG 27 3.641 -11.160 4.457 203 HE ARG 27 HE ARG 27 3.622 -9.138 6.357 204 HH11 ARG 27 1HH1 ARG 27 2.649 -12.518 6.026 205 HH12 ARG 27 2HH1 ARG 27 2.633 -12.845 7.687 206 HH21 ARG 27 1HH2 ARG 27 3.558 -9.540 8.655 207 HH22 ARG 27 2HH2 ARG 27 3.165 -11.086 9.244 208 H TRP 28 H TRP 28 2.936 -4.252 3.782 209 HA TRP 28 HA TRP 28 0.073 -3.719 3.841 210 HB2 TRP 28 HB3 TRP 28 0.361 -1.972 5.555 211 HB3 TRP 28 HB2 TRP 28 0.878 -3.532 6.158 212 HD1 TRP 28 HD TRP 28 2.489 -0.299 4.732 213 HE1 TRP 28 1HE TRP 28 4.719 0.088 5.944 214 HE3 TRP 28 3HE TRP 28 2.576 -4.504 7.615 215 HZ2 TRP 28 2HZ TRP 28 6.298 -1.204 7.871 216 HZ3 TRP 28 3HZ TRP 28 4.481 -4.851 9.125 217 HH2 TRP 28 HH TRP 28 6.304 -3.234 9.247 218 H CYS 29 H CYS 29 -0.337 -1.290 3.533 219 HA CYS 29 HA CYS 29 0.620 -0.551 0.993 220 HB2 CYS 29 HB3 CYS 29 -1.613 -0.102 1.953 221 HB3 CYS 29 HB2 CYS 29 -0.829 1.053 3.039 222 H LYS 30 H LYS 30 2.185 0.752 0.430 223 HA LYS 30 HA LYS 30 3.403 2.552 2.363 224 HB2 LYS 30 HB3 LYS 30 4.903 0.458 0.853 225 HB3 LYS 30 HB2 LYS 30 5.636 1.894 1.514 226 HG2 LYS 30 2HG LYS 30 5.028 1.187 3.751 227 HG3 LYS 30 1HG LYS 30 4.188 -0.217 3.094 228 HD2 LYS 30 2HD LYS 30 6.374 -0.859 3.917 229 HD3 LYS 30 1HD LYS 30 6.301 -1.038 2.170 230 HE2 LYS 30 2HE LYS 30 8.420 -0.077 2.815 231 HE3 LYS 30 1HE LYS 30 7.493 1.118 1.923 232 HZ1 LYS 30 1HZ LYS 30 8.547 2.091 3.831 233 HZ2 LYS 30 2HZ LYS 30 7.824 0.969 4.863 234 HZ3 LYS 30 3HZ LYS 30 6.877 2.114 4.067 235 H TYR 31 H TYR 31 4.787 4.092 1.478 236 HA TYR 31 HA TYR 31 3.946 4.988 -1.144 237 HB2 TYR 31 HB3 TYR 31 4.153 6.608 0.744 238 HB3 TYR 31 HB2 TYR 31 5.853 6.197 0.887 239 HD1 TYR 31 1HD TYR 31 7.488 7.221 -0.538 240 HD2 TYR 31 2HD TYR 31 3.342 7.803 -1.295 241 HE1 TYR 31 1HE TYR 31 8.033 8.996 -2.140 242 HE2 TYR 31 2HE TYR 31 3.878 9.567 -2.896 243 HH TYR 31 HH TYR 31 5.703 11.151 -3.361 244 H ASP 32 H ASP 32 5.016 4.168 -2.833 245 HA ASP 32 HA ASP 32 7.866 4.051 -2.792 246 HB2 ASP 32 HB3 ASP 32 7.145 1.911 -1.784 247 HB3 ASP 32 HB2 ASP 32 6.245 1.556 -3.246 248 H LEU 33 H LEU 33 7.794 5.450 -4.392 249 HA LEU 33 HA LEU 33 7.094 4.463 -7.018 250 HB2 LEU 33 HB3 LEU 33 5.086 5.737 -5.991 251 HB3 LEU 33 HB2 LEU 33 6.081 7.165 -6.080 252 HG LEU 33 HG LEU 33 4.425 7.064 -7.886 253 HD11 LEU 33 HD11 LEU 33 6.447 8.280 -8.370 254 HD12 LEU 33 HD12 LEU 33 5.849 7.472 -9.819 255 HD13 LEU 33 HD13 LEU 33 7.225 6.804 -8.941 256 HD21 LEU 33 HD21 LEU 33 5.859 4.571 -8.779 257 HD22 LEU 33 HD22 LEU 33 4.586 5.406 -9.669 258 HD23 LEU 33 HD23 LEU 33 4.229 4.662 -8.112 259 HN1 NH2 34 HN1 NH2 34 9.249 4.500 -7.462 260 HN2 NH2 34 HN2 NH2 34 10.248 5.910 -7.435 Start of MODEL 11 1 H1 ASP 1 1HT ASP 1 -13.066 6.815 -1.093 2 H2 ASP 1 2HT ASP 1 -13.792 7.849 0.061 3 H3 ASP 1 3HT ASP 1 -13.447 6.244 0.431 4 HA ASP 1 HA ASP 1 -11.362 8.212 -0.196 5 HB2 ASP 1 HB3 ASP 1 -12.224 7.041 2.462 6 HB3 ASP 1 HB2 ASP 1 -10.797 8.035 2.203 7 H CYS 2 H CYS 2 -9.283 7.326 0.343 8 HA CYS 2 HA CYS 2 -9.282 4.429 0.061 9 HB2 CYS 2 HB3 CYS 2 -6.918 4.900 -0.713 10 HB3 CYS 2 HB2 CYS 2 -8.243 5.165 -1.837 11 H LEU 3 H LEU 3 -6.999 3.609 0.858 12 HA LEU 3 HA LEU 3 -6.948 4.187 3.672 13 HB2 LEU 3 HB3 LEU 3 -5.097 2.412 2.137 14 HB3 LEU 3 HB2 LEU 3 -5.644 2.296 3.791 15 HG LEU 3 HG LEU 3 -7.395 1.880 1.427 16 HD11 LEU 3 HD11 LEU 3 -7.158 -0.571 1.978 17 HD12 LEU 3 HD12 LEU 3 -5.887 -0.147 3.132 18 HD13 LEU 3 HD13 LEU 3 -5.673 0.176 1.409 19 HD21 LEU 3 HD21 LEU 3 -8.889 0.761 3.060 20 HD22 LEU 3 HD22 LEU 3 -8.618 2.461 3.442 21 HD23 LEU 3 HD23 LEU 3 -7.775 1.207 4.354 22 H GLY 4 H GLY 4 -5.103 5.071 4.707 23 HA2 GLY 4 2HA GLY 4 -3.204 6.476 3.086 24 HA3 GLY 4 1HA GLY 4 -3.212 6.349 4.855 25 H TRP 5 H TRP 5 -0.705 5.902 4.013 26 HA TRP 5 HA TRP 5 -0.584 3.237 3.265 27 HB2 TRP 5 HB3 TRP 5 1.526 3.647 2.731 28 HB3 TRP 5 HB2 TRP 5 0.893 5.244 2.600 29 HD1 TRP 5 HD TRP 5 3.537 3.300 4.262 30 HE1 TRP 5 1HE TRP 5 4.971 4.744 5.684 31 HE3 TRP 5 3HE TRP 5 0.551 7.406 4.330 32 HZ2 TRP 5 2HZ TRP 5 4.855 7.388 6.810 33 HZ3 TRP 5 3HZ TRP 5 1.273 9.365 5.633 34 HH2 TRP 5 HH TRP 5 3.387 9.347 6.849 35 H PHE 6 H PHE 6 1.063 1.954 4.548 36 HA PHE 6 HA PHE 6 1.436 0.622 6.251 37 HB2 PHE 6 HB3 PHE 6 0.511 2.919 7.966 38 HB3 PHE 6 HB2 PHE 6 0.825 1.318 8.631 39 HD1 PHE 6 1HD PHE 6 3.145 0.327 7.634 40 HD2 PHE 6 2HD PHE 6 2.233 4.424 8.297 41 HE1 PHE 6 1HE PHE 6 5.529 0.812 7.847 42 HE2 PHE 6 2HE PHE 6 4.630 4.918 8.503 43 HZ PHE 6 HZ PHE 6 6.287 3.089 8.275 44 H LYS 7 H LYS 7 -1.580 1.621 5.320 45 HA LYS 7 HA LYS 7 -2.985 -0.241 6.915 46 HB2 LYS 7 HB3 LYS 7 -3.839 1.237 4.454 47 HB3 LYS 7 HB2 LYS 7 -4.875 0.480 5.649 48 HG2 LYS 7 2HG LYS 7 -3.091 2.845 6.129 49 HG3 LYS 7 1HG LYS 7 -4.832 2.905 5.926 50 HD2 LYS 7 2HD LYS 7 -5.044 1.463 7.949 51 HD3 LYS 7 1HD LYS 7 -3.295 1.530 8.138 52 HE2 LYS 7 2HE LYS 7 -3.455 4.003 8.312 53 HE3 LYS 7 1HE LYS 7 -5.209 3.852 8.261 54 HZ1 LYS 7 1HZ LYS 7 -4.433 4.021 10.536 55 HZ2 LYS 7 2HZ LYS 7 -3.423 2.715 10.327 56 HZ3 LYS 7 3HZ LYS 7 -5.086 2.485 10.284 57 H SER 8 H SER 8 -3.880 -1.974 6.123 58 HA SER 8 HA SER 8 -2.166 -3.552 4.543 59 HB2 SER 8 HB3 SER 8 -4.793 -4.165 5.840 60 HB3 SER 8 HB2 SER 8 -3.525 -5.296 5.362 61 HG SER 8 HG SER 8 -2.167 -4.386 6.876 62 H CYS 9 H CYS 9 -2.360 -3.842 2.392 63 HA CYS 9 HA CYS 9 -4.907 -4.290 1.273 64 HB2 CYS 9 HB3 CYS 9 -4.257 -2.902 -0.705 65 HB3 CYS 9 HB2 CYS 9 -4.812 -1.997 0.693 66 H ASP 10 H ASP 10 -4.453 -4.895 -1.055 67 HA ASP 10 HA ASP 10 -2.256 -6.855 -0.961 68 HB2 ASP 10 HB3 ASP 10 -4.599 -7.691 -1.165 69 HB3 ASP 10 HB2 ASP 10 -4.727 -6.840 -2.700 70 HA PRO 11 HA PRO 11 -0.199 -4.535 -4.152 71 HB2 PRO 11 HB3 PRO 11 1.024 -6.633 -5.491 72 HB3 PRO 11 HB2 PRO 11 1.641 -5.895 -4.006 73 HG2 PRO 11 2HG PRO 11 -0.016 -8.362 -4.329 74 HG3 PRO 11 1HG PRO 11 1.411 -8.098 -3.312 75 HD2 PRO 11 2HD PRO 11 -1.024 -8.039 -2.272 76 HD3 PRO 11 1HD PRO 11 0.202 -6.863 -1.732 77 H LYS 12 H LYS 12 -2.322 -7.290 -5.050 78 HA LYS 12 HA LYS 12 -2.472 -6.377 -7.762 79 HB2 LYS 12 HB3 LYS 12 -3.394 -8.710 -6.186 80 HB3 LYS 12 HB2 LYS 12 -4.134 -8.370 -7.729 81 HG2 LYS 12 2HG LYS 12 -2.438 -10.043 -8.036 82 HG3 LYS 12 1HG LYS 12 -1.841 -8.549 -8.743 83 HD2 LYS 12 2HD LYS 12 -0.512 -8.148 -6.704 84 HD3 LYS 12 1HD LYS 12 -1.096 -9.675 -6.047 85 HE2 LYS 12 2HE LYS 12 1.120 -9.957 -7.021 86 HE3 LYS 12 1HE LYS 12 -0.093 -10.869 -7.917 87 HZ1 LYS 12 1HZ LYS 12 1.048 -8.261 -8.707 88 HZ2 LYS 12 2HZ LYS 12 -0.108 -9.069 -9.598 89 HZ3 LYS 12 3HZ LYS 12 1.433 -9.721 -9.409 90 H ASN 13 H ASN 13 -4.008 -5.800 -4.810 91 HA ASN 13 HA ASN 13 -6.359 -4.767 -6.173 92 HB2 ASN 13 HB3 ASN 13 -7.000 -6.963 -5.189 93 HB3 ASN 13 HB2 ASN 13 -6.497 -6.387 -3.611 94 HD21 ASN 13 HD21 ASN 13 -8.892 -6.104 -6.101 95 HD22 ASN 13 HD22 ASN 13 -10.096 -5.328 -5.153 96 H ASP 14 H ASP 14 -5.334 -2.891 -6.005 97 HA ASP 14 HA ASP 14 -4.362 -1.764 -3.606 98 HB2 ASP 14 HB3 ASP 14 -3.484 -0.919 -5.603 99 HB3 ASP 14 HB2 ASP 14 -5.092 -0.554 -6.250 100 H LYS 15 H LYS 15 -5.188 -0.355 -2.293 101 HA LYS 15 HA LYS 15 -7.880 0.611 -2.662 102 HB2 LYS 15 HB3 LYS 15 -8.059 -1.608 -1.509 103 HB3 LYS 15 HB2 LYS 15 -7.128 -0.952 -0.175 104 HG2 LYS 15 2HG LYS 15 -9.504 -0.965 0.349 105 HG3 LYS 15 1HG LYS 15 -8.907 0.692 0.240 106 HD2 LYS 15 2HD LYS 15 -9.784 0.846 -2.045 107 HD3 LYS 15 1HD LYS 15 -10.380 -0.810 -1.915 108 HE2 LYS 15 2HE LYS 15 -11.857 -0.156 -0.121 109 HE3 LYS 15 1HE LYS 15 -11.206 1.483 -0.154 110 HZ1 LYS 15 1HZ LYS 15 -12.669 0.162 -2.372 111 HZ2 LYS 15 2HZ LYS 15 -12.021 1.732 -2.382 112 HZ3 LYS 15 3HZ LYS 15 -13.283 1.360 -1.340 113 H CYS 16 H CYS 16 -4.735 1.221 -1.964 114 HA CYS 16 HA CYS 16 -5.349 3.072 0.177 115 HB2 CYS 16 HB3 CYS 16 -2.935 3.292 0.522 116 HB3 CYS 16 HB2 CYS 16 -3.401 1.603 0.595 117 H CYS 17 H CYS 17 -4.136 5.242 -0.083 118 HA CYS 17 HA CYS 17 -5.192 6.345 -2.367 119 HB2 CYS 17 HB3 CYS 17 -3.359 7.444 -0.268 120 HB3 CYS 17 HB2 CYS 17 -4.170 8.394 -1.500 121 H LYS 18 H LYS 18 -3.969 7.766 -3.725 122 HA LYS 18 HA LYS 18 -2.256 6.145 -5.247 123 HB2 LYS 18 HB3 LYS 18 -4.079 7.802 -6.014 124 HB3 LYS 18 HB2 LYS 18 -2.891 9.046 -5.694 125 HG2 LYS 18 2HG LYS 18 -2.991 8.479 -8.056 126 HG3 LYS 18 1HG LYS 18 -1.410 8.116 -7.370 127 HD2 LYS 18 2HD LYS 18 -2.120 6.330 -8.846 128 HD3 LYS 18 1HD LYS 18 -2.045 5.736 -7.199 129 HE2 LYS 18 2HE LYS 18 -4.008 4.846 -8.216 130 HE3 LYS 18 1HE LYS 18 -4.539 6.056 -7.059 131 HZ1 LYS 18 1HZ LYS 18 -4.309 6.437 -9.994 132 HZ2 LYS 18 2HZ LYS 18 -4.871 7.602 -8.908 133 HZ3 LYS 18 3HZ LYS 18 -5.737 6.193 -9.161 134 H ASN 19 H ASN 19 -0.271 6.999 -6.064 135 HA ASN 19 HA ASN 19 1.891 7.682 -5.923 136 HB2 ASN 19 HB3 ASN 19 1.030 9.960 -5.368 137 HB3 ASN 19 HB2 ASN 19 0.985 9.525 -3.673 138 HD21 ASN 19 HD21 ASN 19 3.694 8.599 -5.756 139 HD22 ASN 19 HD22 ASN 19 4.811 9.683 -5.030 140 H TYR 20 H TYR 20 0.281 6.515 -3.222 141 HA TYR 20 HA TYR 20 2.650 5.280 -2.097 142 HB2 TYR 20 HB3 TYR 20 -0.291 4.984 -1.473 143 HB3 TYR 20 HB2 TYR 20 1.026 4.281 -0.561 144 HD1 TYR 20 1HD TYR 20 -1.136 7.055 -0.942 145 HD2 TYR 20 2HD TYR 20 2.665 5.930 0.566 146 HE1 TYR 20 1HE TYR 20 -1.132 9.040 0.497 147 HE2 TYR 20 2HE TYR 20 2.695 7.900 2.005 148 HH TYR 20 HH TYR 20 1.653 10.112 2.140 149 H THR 21 H THR 21 2.342 2.730 -1.813 150 HA THR 21 HA THR 21 0.747 1.521 -3.899 151 HB THR 21 HB THR 21 3.650 0.825 -3.768 152 HG1 THR 21 1HG THR 21 2.351 2.958 -4.929 153 HG21 THR 21 1HG2 THR 21 2.179 -0.794 -4.847 154 HG22 THR 21 2HG2 THR 21 3.242 -0.060 -6.048 155 HG23 THR 21 3HG2 THR 21 1.560 0.458 -5.926 156 H CYS 22 H CYS 22 0.251 -0.623 -3.394 157 HA CYS 22 HA CYS 22 0.704 -1.540 -0.734 158 HB2 CYS 22 HB3 CYS 22 -0.598 -2.827 -3.077 159 HB3 CYS 22 HB2 CYS 22 -0.697 -3.375 -1.423 160 H SER 23 H SER 23 2.213 -2.775 -0.141 161 HA SER 23 HA SER 23 4.008 -4.053 -2.080 162 HB2 SER 23 HB3 SER 23 5.076 -2.326 -0.801 163 HB3 SER 23 HB2 SER 23 4.411 -2.937 0.702 164 HG SER 23 HG SER 23 6.598 -3.445 0.391 165 H ARG 24 H ARG 24 4.455 -6.241 -1.864 166 HA ARG 24 HA ARG 24 2.829 -7.730 -0.004 167 HB2 ARG 24 HB3 ARG 24 3.047 -8.624 -2.279 168 HB3 ARG 24 HB2 ARG 24 4.793 -8.665 -2.117 169 HG2 ARG 24 2HG ARG 24 3.884 -10.902 -1.906 170 HG3 ARG 24 1HG ARG 24 4.587 -10.383 -0.376 171 HD2 ARG 24 2HD ARG 24 2.306 -9.778 0.403 172 HD3 ARG 24 1HD ARG 24 1.659 -10.448 -1.096 173 HE ARG 24 HE ARG 24 3.334 -12.226 0.442 174 HH11 ARG 24 1HH1 ARG 24 0.028 -11.200 -0.262 175 HH12 ARG 24 2HH1 ARG 24 -0.695 -12.576 0.411 176 HH21 ARG 24 1HH2 ARG 24 2.321 -14.128 1.393 177 HH22 ARG 24 2HH2 ARG 24 0.623 -14.251 1.409 178 H ARG 25 H ARG 25 6.021 -6.676 -0.458 179 HA ARG 25 HA ARG 25 7.414 -8.404 1.291 180 HB2 ARG 25 HB3 ARG 25 8.423 -7.057 -0.513 181 HB3 ARG 25 HB2 ARG 25 8.038 -5.605 0.381 182 HG2 ARG 25 2HG ARG 25 9.484 -6.284 2.174 183 HG3 ARG 25 1HG ARG 25 9.843 -7.785 1.302 184 HD2 ARG 25 2HD ARG 25 10.864 -6.574 -0.490 185 HD3 ARG 25 1HD ARG 25 10.406 -5.031 0.209 186 HE ARG 25 HE ARG 25 12.148 -6.803 1.746 187 HH11 ARG 25 1HH1 ARG 25 11.779 -3.778 -0.077 188 HH12 ARG 25 2HH1 ARG 25 13.312 -3.176 0.332 189 HH21 ARG 25 1HH2 ARG 25 14.226 -5.980 2.313 190 HH22 ARG 25 2HH2 ARG 25 14.764 -4.467 1.735 191 H ASP 26 H ASP 26 6.104 -5.181 1.557 192 HA ASP 26 HA ASP 26 6.663 -5.026 4.398 193 HB2 ASP 26 HB3 ASP 26 5.104 -3.124 2.639 194 HB3 ASP 26 HB2 ASP 26 5.531 -2.831 4.317 195 H ARG 27 H ARG 27 4.089 -6.064 2.388 196 HA ARG 27 HA ARG 27 2.204 -7.106 2.743 197 HB2 ARG 27 HB3 ARG 27 2.768 -6.749 5.675 198 HB3 ARG 27 HB2 ARG 27 1.366 -7.546 4.972 199 HG2 ARG 27 2HG ARG 27 2.716 -9.275 4.039 200 HG3 ARG 27 1HG ARG 27 4.199 -8.429 4.506 201 HD2 ARG 27 2HD ARG 27 3.581 -10.283 6.041 202 HD3 ARG 27 1HD ARG 27 3.701 -8.709 6.831 203 HE ARG 27 HE ARG 27 1.105 -9.776 5.966 204 HH11 ARG 27 1HH1 ARG 27 3.203 -8.602 8.588 205 HH12 ARG 27 2HH1 ARG 27 1.972 -8.599 9.753 206 HH21 ARG 27 1HH2 ARG 27 -0.597 -9.718 7.578 207 HH22 ARG 27 2HH2 ARG 27 -0.234 -9.248 9.169 208 H TRP 28 H TRP 28 2.619 -4.020 2.965 209 HA TRP 28 HA TRP 28 -0.173 -3.483 2.943 210 HB2 TRP 28 HB3 TRP 28 0.014 -1.630 4.659 211 HB3 TRP 28 HB2 TRP 28 0.059 -3.261 5.307 212 HD1 TRP 28 HD TRP 28 2.632 -0.570 4.258 213 HE1 TRP 28 1HE TRP 28 4.578 -0.657 5.954 214 HE3 TRP 28 3HE TRP 28 0.997 -4.416 7.139 215 HZ2 TRP 28 2HZ TRP 28 5.284 -2.151 8.214 216 HZ3 TRP 28 3HZ TRP 28 2.351 -5.130 9.059 217 HH2 TRP 28 HH TRP 28 4.447 -4.025 9.585 218 H CYS 29 H CYS 29 -0.270 -0.861 2.853 219 HA CYS 29 HA CYS 29 1.230 -0.280 0.493 220 HB2 CYS 29 HB3 CYS 29 -1.187 0.191 0.701 221 HB3 CYS 29 HB2 CYS 29 -0.803 1.352 1.976 222 H LYS 30 H LYS 30 2.824 1.155 0.328 223 HA LYS 30 HA LYS 30 3.361 3.052 2.439 224 HB2 LYS 30 HB3 LYS 30 5.400 1.042 1.472 225 HB3 LYS 30 HB2 LYS 30 5.824 2.561 2.213 226 HG2 LYS 30 2HG LYS 30 4.811 1.873 4.307 227 HG3 LYS 30 1HG LYS 30 4.137 0.444 3.512 228 HD2 LYS 30 2HD LYS 30 6.078 -0.060 4.920 229 HD3 LYS 30 1HD LYS 30 6.324 -0.483 3.234 230 HE2 LYS 30 2HE LYS 30 7.693 1.508 2.924 231 HE3 LYS 30 1HE LYS 30 7.381 2.000 4.591 232 HZ1 LYS 30 1HZ LYS 30 9.557 0.830 4.297 233 HZ2 LYS 30 2HZ LYS 30 8.689 -0.585 3.893 234 HZ3 LYS 30 3HZ LYS 30 8.520 0.112 5.393 235 H TYR 31 H TYR 31 5.300 4.478 1.624 236 HA TYR 31 HA TYR 31 4.349 5.529 -0.846 237 HB2 TYR 31 HB3 TYR 31 5.194 6.923 1.053 238 HB3 TYR 31 HB2 TYR 31 6.807 6.300 0.738 239 HD1 TYR 31 1HD TYR 31 8.168 7.261 -0.941 240 HD2 TYR 31 2HD TYR 31 4.052 8.264 -0.702 241 HE1 TYR 31 1HE TYR 31 8.504 9.044 -2.586 242 HE2 TYR 31 2HE TYR 31 4.382 10.031 -2.337 243 HH TYR 31 HH TYR 31 6.245 11.436 -3.127 244 H ASP 32 H ASP 32 4.853 4.652 -2.728 245 HA ASP 32 HA ASP 32 7.599 3.853 -3.250 246 HB2 ASP 32 HB3 ASP 32 6.447 1.806 -2.640 247 HB3 ASP 32 HB2 ASP 32 5.175 2.153 -3.791 248 H LEU 33 H LEU 33 4.841 3.317 -5.260 249 HA LEU 33 HA LEU 33 6.020 5.190 -7.198 250 HB2 LEU 33 HB3 LEU 33 5.698 2.671 -7.697 251 HB3 LEU 33 HB2 LEU 33 3.995 3.015 -7.784 252 HG LEU 33 HG LEU 33 4.962 2.825 -10.002 253 HD11 LEU 33 HD11 LEU 33 4.253 4.908 -11.037 254 HD12 LEU 33 HD12 LEU 33 4.202 5.676 -9.449 255 HD13 LEU 33 HD13 LEU 33 3.106 4.347 -9.820 256 HD21 LEU 33 HD21 LEU 33 6.747 5.120 -9.235 257 HD22 LEU 33 HD22 LEU 33 6.613 4.412 -10.843 258 HD23 LEU 33 HD23 LEU 33 7.241 3.451 -9.506 259 HN1 NH2 34 HN1 NH2 34 2.791 3.879 -6.740 260 HN2 NH2 34 HN2 NH2 34 1.957 5.393 -6.729 Start of MODEL 12 1 H1 ASP 1 1HT ASP 1 -13.145 6.085 0.978 2 H2 ASP 1 2HT ASP 1 -13.018 6.269 -0.673 3 H3 ASP 1 3HT ASP 1 -13.687 7.519 0.271 4 HA ASP 1 HA ASP 1 -11.401 8.009 -0.411 5 HB2 ASP 1 HB3 ASP 1 -11.639 7.326 2.525 6 HB3 ASP 1 HB2 ASP 1 -10.453 8.402 1.821 7 H CYS 2 H CYS 2 -9.272 7.324 -0.459 8 HA CYS 2 HA CYS 2 -9.043 4.468 -0.273 9 HB2 CYS 2 HB3 CYS 2 -6.722 4.869 -1.102 10 HB3 CYS 2 HB2 CYS 2 -8.024 5.226 -2.221 11 H LEU 3 H LEU 3 -6.714 3.763 0.538 12 HA LEU 3 HA LEU 3 -7.036 4.099 3.346 13 HB2 LEU 3 HB3 LEU 3 -4.959 2.554 1.850 14 HB3 LEU 3 HB2 LEU 3 -5.524 2.319 3.488 15 HG LEU 3 HG LEU 3 -7.132 1.877 1.006 16 HD11 LEU 3 HD11 LEU 3 -6.943 -0.531 1.619 17 HD12 LEU 3 HD12 LEU 3 -5.855 -0.083 2.932 18 HD13 LEU 3 HD13 LEU 3 -5.382 0.201 1.256 19 HD21 LEU 3 HD21 LEU 3 -7.802 1.278 3.893 20 HD22 LEU 3 HD22 LEU 3 -8.773 0.798 2.502 21 HD23 LEU 3 HD23 LEU 3 -8.552 2.509 2.873 22 H GLY 4 H GLY 4 -5.578 4.998 4.750 23 HA2 GLY 4 2HA GLY 4 -3.495 6.664 3.710 24 HA3 GLY 4 1HA GLY 4 -3.899 6.399 5.418 25 H TRP 5 H TRP 5 -1.242 6.149 4.041 26 HA TRP 5 HA TRP 5 -0.940 3.439 3.796 27 HB2 TRP 5 HB3 TRP 5 1.075 3.904 2.962 28 HB3 TRP 5 HB2 TRP 5 0.239 5.381 2.633 29 HD1 TRP 5 HD TRP 5 3.186 4.014 4.472 30 HE1 TRP 5 1HE TRP 5 4.579 5.868 5.369 31 HE3 TRP 5 3HE TRP 5 -0.114 7.781 3.704 32 HZ2 TRP 5 2HZ TRP 5 4.320 8.727 5.771 33 HZ3 TRP 5 3HZ TRP 5 0.516 10.075 4.384 34 HH2 TRP 5 HH TRP 5 2.689 10.525 5.394 35 H PHE 6 H PHE 6 0.876 2.448 4.884 36 HA PHE 6 HA PHE 6 1.582 1.314 6.529 37 HB2 PHE 6 HB3 PHE 6 0.852 3.659 8.210 38 HB3 PHE 6 HB2 PHE 6 1.111 2.102 9.001 39 HD1 PHE 6 1HD PHE 6 2.691 4.985 7.606 40 HD2 PHE 6 2HD PHE 6 3.272 0.887 8.552 41 HE1 PHE 6 1HE PHE 6 5.128 5.308 7.517 42 HE2 PHE 6 2HE PHE 6 5.705 1.198 8.468 43 HZ PHE 6 HZ PHE 6 6.640 3.406 7.947 44 H LYS 7 H LYS 7 -1.671 2.028 6.092 45 HA LYS 7 HA LYS 7 -2.705 0.065 7.826 46 HB2 LYS 7 HB3 LYS 7 -3.859 1.399 5.375 47 HB3 LYS 7 HB2 LYS 7 -4.722 0.355 6.479 48 HG2 LYS 7 2HG LYS 7 -3.415 2.807 7.495 49 HG3 LYS 7 1HG LYS 7 -5.000 2.889 6.738 50 HD2 LYS 7 2HD LYS 7 -5.724 1.080 8.345 51 HD3 LYS 7 1HD LYS 7 -4.169 1.279 9.153 52 HE2 LYS 7 2HE LYS 7 -5.832 2.533 10.324 53 HE3 LYS 7 1HE LYS 7 -4.700 3.627 9.512 54 HZ1 LYS 7 1HZ LYS 7 -6.354 4.033 7.805 55 HZ2 LYS 7 2HZ LYS 7 -7.041 4.341 9.314 56 HZ3 LYS 7 3HZ LYS 7 -7.403 2.922 8.498 57 H SER 8 H SER 8 -3.545 -1.800 7.111 58 HA SER 8 HA SER 8 -1.823 -3.311 5.448 59 HB2 SER 8 HB3 SER 8 -4.305 -4.067 6.965 60 HB3 SER 8 HB2 SER 8 -3.061 -5.147 6.334 61 HG SER 8 HG SER 8 -2.659 -4.752 8.511 62 H CYS 9 H CYS 9 -2.155 -3.677 3.293 63 HA CYS 9 HA CYS 9 -4.768 -4.249 2.408 64 HB2 CYS 9 HB3 CYS 9 -4.356 -2.902 0.348 65 HB3 CYS 9 HB2 CYS 9 -4.833 -1.987 1.767 66 H ASP 10 H ASP 10 -4.508 -4.889 0.026 67 HA ASP 10 HA ASP 10 -2.141 -6.631 -0.060 68 HB2 ASP 10 HB3 ASP 10 -4.359 -7.776 0.196 69 HB3 ASP 10 HB2 ASP 10 -4.854 -7.078 -1.339 70 HA PRO 11 HA PRO 11 -1.121 -4.262 -3.682 71 HB2 PRO 11 HB3 PRO 11 0.510 -6.077 -4.936 72 HB3 PRO 11 HB2 PRO 11 1.022 -5.024 -3.614 73 HG2 PRO 11 2HG PRO 11 0.253 -7.902 -3.551 74 HG3 PRO 11 1HG PRO 11 1.492 -7.017 -2.635 75 HD2 PRO 11 2HD PRO 11 -0.901 -7.751 -1.580 76 HD3 PRO 11 1HD PRO 11 0.017 -6.330 -1.041 77 H LYS 12 H LYS 12 -2.481 -7.554 -4.018 78 HA LYS 12 HA LYS 12 -2.893 -7.223 -6.807 79 HB2 LYS 12 HB3 LYS 12 -3.803 -9.250 -4.801 80 HB3 LYS 12 HB2 LYS 12 -3.930 -9.393 -6.541 81 HG2 LYS 12 2HG LYS 12 -1.363 -9.232 -4.961 82 HG3 LYS 12 1HG LYS 12 -2.044 -10.703 -5.646 83 HD2 LYS 12 2HD LYS 12 -1.144 -8.293 -7.236 84 HD3 LYS 12 1HD LYS 12 -0.209 -9.765 -6.996 85 HE2 LYS 12 2HE LYS 12 -1.944 -11.061 -8.119 86 HE3 LYS 12 1HE LYS 12 -2.903 -9.603 -8.336 87 HZ1 LYS 12 1HZ LYS 12 -1.231 -8.694 -9.748 88 HZ2 LYS 12 2HZ LYS 12 -1.616 -10.247 -10.312 89 HZ3 LYS 12 3HZ LYS 12 -0.196 -9.993 -9.460 90 H ASN 13 H ASN 13 -4.421 -6.625 -3.833 91 HA ASN 13 HA ASN 13 -6.801 -5.729 -5.270 92 HB2 ASN 13 HB3 ASN 13 -7.407 -7.652 -3.838 93 HB3 ASN 13 HB2 ASN 13 -6.710 -6.845 -2.443 94 HD21 ASN 13 HD21 ASN 13 -8.697 -5.204 -4.894 95 HD22 ASN 13 HD22 ASN 13 -10.013 -4.888 -3.834 96 H ASP 14 H ASP 14 -5.209 -3.947 -5.465 97 HA ASP 14 HA ASP 14 -4.558 -2.376 -3.242 98 HB2 ASP 14 HB3 ASP 14 -3.214 -2.039 -5.139 99 HB3 ASP 14 HB2 ASP 14 -4.636 -1.734 -6.156 100 H LYS 15 H LYS 15 -5.484 -1.015 -2.251 101 HA LYS 15 HA LYS 15 -8.029 0.179 -3.061 102 HB2 LYS 15 HB3 LYS 15 -7.333 -1.179 -0.462 103 HB3 LYS 15 HB2 LYS 15 -8.775 -0.216 -0.735 104 HG2 LYS 15 2HG LYS 15 -9.658 -1.807 -2.260 105 HG3 LYS 15 1HG LYS 15 -8.108 -2.630 -2.400 106 HD2 LYS 15 2HD LYS 15 -9.622 -3.942 -1.046 107 HD3 LYS 15 1HD LYS 15 -8.298 -3.341 -0.057 108 HE2 LYS 15 2HE LYS 15 -9.738 -1.575 0.807 109 HE3 LYS 15 1HE LYS 15 -11.062 -2.145 -0.211 110 HZ1 LYS 15 1HZ LYS 15 -11.252 -2.973 2.052 111 HZ2 LYS 15 2HZ LYS 15 -9.735 -3.703 1.929 112 HZ3 LYS 15 3HZ LYS 15 -10.999 -4.252 0.979 113 H CYS 16 H CYS 16 -4.915 0.723 -2.464 114 HA CYS 16 HA CYS 16 -5.215 2.705 -0.371 115 HB2 CYS 16 HB3 CYS 16 -3.220 1.048 -0.454 116 HB3 CYS 16 HB2 CYS 16 -2.670 1.975 -1.850 117 H CYS 17 H CYS 17 -3.766 4.731 -0.992 118 HA CYS 17 HA CYS 17 -5.108 5.941 -3.140 119 HB2 CYS 17 HB3 CYS 17 -2.927 6.811 -1.279 120 HB3 CYS 17 HB2 CYS 17 -3.773 7.882 -2.391 121 H LYS 18 H LYS 18 -3.683 7.344 -4.556 122 HA LYS 18 HA LYS 18 -1.867 5.695 -6.030 123 HB2 LYS 18 HB3 LYS 18 -3.636 7.096 -7.076 124 HB3 LYS 18 HB2 LYS 18 -2.863 8.540 -6.459 125 HG2 LYS 18 2HG LYS 18 -1.439 6.685 -8.360 126 HG3 LYS 18 1HG LYS 18 -2.598 7.860 -8.947 127 HD2 LYS 18 2HD LYS 18 -0.108 8.504 -7.355 128 HD3 LYS 18 1HD LYS 18 -0.280 8.677 -9.103 129 HE2 LYS 18 2HE LYS 18 -2.211 10.241 -8.641 130 HE3 LYS 18 1HE LYS 18 -1.749 10.185 -6.947 131 HZ1 LYS 18 1HZ LYS 18 -0.054 11.147 -9.176 132 HZ2 LYS 18 2HZ LYS 18 0.449 11.058 -7.580 133 HZ3 LYS 18 3HZ LYS 18 -0.795 12.100 -8.013 134 H ASN 19 H ASN 19 0.188 6.447 -6.458 135 HA ASN 19 HA ASN 19 2.318 7.251 -6.016 136 HB2 ASN 19 HB3 ASN 19 1.519 9.546 -5.588 137 HB3 ASN 19 HB2 ASN 19 0.964 9.069 -3.996 138 HD21 ASN 19 HD21 ASN 19 3.724 9.869 -5.926 139 HD22 ASN 19 HD22 ASN 19 4.833 10.051 -4.625 140 H TYR 20 H TYR 20 0.318 6.485 -3.399 141 HA TYR 20 HA TYR 20 2.412 5.128 -1.970 142 HB2 TYR 20 HB3 TYR 20 -0.577 5.261 -1.495 143 HB3 TYR 20 HB2 TYR 20 0.625 4.608 -0.406 144 HD1 TYR 20 1HD TYR 20 2.406 6.156 0.526 145 HD2 TYR 20 2HD TYR 20 -1.078 7.596 -1.430 146 HE1 TYR 20 1HE TYR 20 2.757 8.351 1.534 147 HE2 TYR 20 2HE TYR 20 -0.749 9.796 -0.423 148 HH TYR 20 HH TYR 20 0.421 10.768 1.593 149 H THR 21 H THR 21 2.103 2.790 -1.595 150 HA THR 21 HA THR 21 0.393 1.416 -3.526 151 HB THR 21 HB THR 21 3.262 0.640 -3.339 152 HG1 THR 21 1HG THR 21 2.099 2.764 -4.670 153 HG21 THR 21 1HG2 THR 21 1.712 -0.952 -4.341 154 HG22 THR 21 2HG2 THR 21 2.813 -0.340 -5.574 155 HG23 THR 21 3HG2 THR 21 1.162 0.272 -5.484 156 H CYS 22 H CYS 22 -0.184 -0.592 -2.764 157 HA CYS 22 HA CYS 22 0.497 -1.322 -0.104 158 HB2 CYS 22 HB3 CYS 22 -0.807 -2.783 -2.282 159 HB3 CYS 22 HB2 CYS 22 -0.830 -3.276 -0.607 160 H SER 23 H SER 23 2.434 -1.941 0.184 161 HA SER 23 HA SER 23 4.174 -2.966 -1.681 162 HB2 SER 23 HB3 SER 23 4.142 -2.698 1.303 163 HB3 SER 23 HB2 SER 23 5.551 -2.882 0.255 164 HG SER 23 HG SER 23 4.245 -0.910 -0.760 165 H ARG 24 H ARG 24 4.522 -5.094 -2.112 166 HA ARG 24 HA ARG 24 2.831 -7.120 -0.951 167 HB2 ARG 24 HB3 ARG 24 4.005 -6.875 -3.370 168 HB3 ARG 24 HB2 ARG 24 5.245 -7.805 -2.560 169 HG2 ARG 24 2HG ARG 24 2.383 -8.672 -3.041 170 HG3 ARG 24 1HG ARG 24 3.824 -9.251 -3.844 171 HD2 ARG 24 2HD ARG 24 4.603 -10.241 -1.761 172 HD3 ARG 24 1HD ARG 24 3.195 -9.587 -0.919 173 HE ARG 24 HE ARG 24 2.348 -11.074 -3.126 174 HH11 ARG 24 1HH1 ARG 24 3.866 -11.628 0.009 175 HH12 ARG 24 2HH1 ARG 24 3.123 -13.133 0.261 176 HH21 ARG 24 1HH2 ARG 24 1.328 -13.138 -2.790 177 HH22 ARG 24 2HH2 ARG 24 1.634 -14.025 -1.379 178 H ARG 25 H ARG 25 6.049 -6.024 -0.715 179 HA ARG 25 HA ARG 25 7.288 -8.056 0.747 180 HB2 ARG 25 HB3 ARG 25 8.513 -6.342 -0.424 181 HB3 ARG 25 HB2 ARG 25 7.793 -5.103 0.568 182 HG2 ARG 25 2HG ARG 25 8.919 -5.867 2.501 183 HG3 ARG 25 1HG ARG 25 9.571 -7.257 1.627 184 HD2 ARG 25 2HD ARG 25 11.209 -5.383 1.936 185 HD3 ARG 25 1HD ARG 25 10.937 -5.832 0.258 186 HE ARG 25 HE ARG 25 9.792 -3.844 -0.086 187 HH11 ARG 25 1HH1 ARG 25 10.876 -4.007 3.289 188 HH12 ARG 25 2HH1 ARG 25 10.911 -2.313 3.482 189 HH21 ARG 25 1HH2 ARG 25 9.915 -1.527 0.204 190 HH22 ARG 25 2HH2 ARG 25 10.385 -0.886 1.709 191 H ASP 26 H ASP 26 5.893 -5.048 1.778 192 HA ASP 26 HA ASP 26 6.189 -5.715 4.597 193 HB2 ASP 26 HB3 ASP 26 4.889 -3.299 3.348 194 HB3 ASP 26 HB2 ASP 26 5.343 -3.485 5.039 195 H ARG 27 H ARG 27 3.724 -5.801 2.205 196 HA ARG 27 HA ARG 27 1.676 -6.446 2.073 197 HB2 ARG 27 HB3 ARG 27 1.917 -7.482 4.897 198 HB3 ARG 27 HB2 ARG 27 0.690 -7.893 3.683 199 HG2 ARG 27 2HG ARG 27 2.416 -8.933 2.308 200 HG3 ARG 27 1HG ARG 27 3.611 -8.576 3.560 201 HD2 ARG 27 2HD ARG 27 2.900 -10.853 3.839 202 HD3 ARG 27 1HD ARG 27 2.225 -9.892 5.157 203 HE ARG 27 HE ARG 27 0.608 -10.383 2.791 204 HH11 ARG 27 1HH1 ARG 27 1.129 -10.987 6.254 205 HH12 ARG 27 2HH1 ARG 27 -0.354 -11.761 6.498 206 HH21 ARG 27 1HH2 ARG 27 -1.473 -11.482 3.139 207 HH22 ARG 27 2HH2 ARG 27 -1.863 -12.036 4.700 208 H TRP 28 H TRP 28 2.432 -3.839 3.171 209 HA TRP 28 HA TRP 28 -0.263 -3.033 3.725 210 HB2 TRP 28 HB3 TRP 28 0.313 -1.511 5.562 211 HB3 TRP 28 HB2 TRP 28 0.762 -3.141 6.004 212 HD1 TRP 28 HD TRP 28 2.509 0.043 4.626 213 HE1 TRP 28 1HE TRP 28 4.824 0.222 5.728 214 HE3 TRP 28 3HE TRP 28 2.463 -4.263 7.329 215 HZ2 TRP 28 2HZ TRP 28 6.416 -1.245 7.503 216 HZ3 TRP 28 3HZ TRP 28 4.423 -4.807 8.725 217 HH2 TRP 28 HH TRP 28 6.362 -3.313 8.799 218 H CYS 29 H CYS 29 -0.281 -0.468 3.544 219 HA CYS 29 HA CYS 29 1.041 0.003 1.044 220 HB2 CYS 29 HB3 CYS 29 -1.353 0.462 1.277 221 HB3 CYS 29 HB2 CYS 29 -0.980 1.658 2.525 222 H LYS 30 H LYS 30 2.580 1.493 0.679 223 HA LYS 30 HA LYS 30 3.241 3.437 2.743 224 HB2 LYS 30 HB3 LYS 30 5.502 2.135 1.311 225 HB3 LYS 30 HB2 LYS 30 5.430 3.022 2.792 226 HG2 LYS 30 2HG LYS 30 4.399 1.098 3.928 227 HG3 LYS 30 1HG LYS 30 4.588 0.162 2.442 228 HD2 LYS 30 2HD LYS 30 6.797 1.369 4.121 229 HD3 LYS 30 1HD LYS 30 6.420 -0.340 3.951 230 HE2 LYS 30 2HE LYS 30 7.392 1.469 1.720 231 HE3 LYS 30 1HE LYS 30 8.385 0.343 2.630 232 HZ1 LYS 30 1HZ LYS 30 7.673 -0.529 0.471 233 HZ2 LYS 30 2HZ LYS 30 6.059 -0.500 0.958 234 HZ3 LYS 30 3HZ LYS 30 7.167 -1.473 1.764 235 H TYR 31 H TYR 31 4.919 4.985 1.766 236 HA TYR 31 HA TYR 31 4.177 5.875 -0.835 237 HB2 TYR 31 HB3 TYR 31 5.025 7.489 0.790 238 HB3 TYR 31 HB2 TYR 31 6.475 6.534 1.044 239 HD1 TYR 31 1HD TYR 31 4.790 8.884 -1.236 240 HD2 TYR 31 2HD TYR 31 8.342 6.676 -0.480 241 HE1 TYR 31 1HE TYR 31 5.981 10.227 -2.896 242 HE2 TYR 31 2HE TYR 31 9.537 8.000 -2.135 243 HH TYR 31 HH TYR 31 9.021 9.354 -4.118 244 H ASP 32 H ASP 32 4.810 4.834 -2.636 245 HA ASP 32 HA ASP 32 7.508 3.731 -2.709 246 HB2 ASP 32 HB3 ASP 32 6.016 1.910 -1.915 247 HB3 ASP 32 HB2 ASP 32 5.143 2.019 -3.435 248 H LEU 33 H LEU 33 4.702 3.363 -4.713 249 HA LEU 33 HA LEU 33 6.099 4.839 -6.817 250 HB2 LEU 33 HB3 LEU 33 6.514 2.429 -7.165 251 HB3 LEU 33 HB2 LEU 33 4.791 2.146 -7.222 252 HG LEU 33 HG LEU 33 4.631 3.466 -9.288 253 HD11 LEU 33 HD11 LEU 33 6.464 5.013 -8.910 254 HD12 LEU 33 HD12 LEU 33 6.668 4.168 -10.444 255 HD13 LEU 33 HD13 LEU 33 7.626 3.693 -9.042 256 HD21 LEU 33 HD21 LEU 33 6.750 1.322 -9.381 257 HD22 LEU 33 HD22 LEU 33 5.816 1.906 -10.755 258 HD23 LEU 33 HD23 LEU 33 5.010 1.057 -9.440 259 HN1 NH2 34 HN1 NH2 34 3.091 3.016 -6.592 260 HN2 NH2 34 HN2 NH2 34 2.056 4.316 -7.069 Start of MODEL 13 1 H1 ASP 1 1HT ASP 1 -13.587 5.410 -0.276 2 H2 ASP 1 2HT ASP 1 -14.249 6.581 0.741 3 H3 ASP 1 3HT ASP 1 -13.387 5.270 1.368 4 HA ASP 1 HA ASP 1 -12.154 7.273 -0.418 5 HB2 ASP 1 HB3 ASP 1 -11.935 6.972 2.597 6 HB3 ASP 1 HB2 ASP 1 -10.915 8.018 1.618 7 H CYS 2 H CYS 2 -9.624 7.059 0.244 8 HA CYS 2 HA CYS 2 -9.119 4.202 -0.109 9 HB2 CYS 2 HB3 CYS 2 -6.953 4.782 -0.763 10 HB3 CYS 2 HB2 CYS 2 -8.077 5.695 -1.773 11 H LEU 3 H LEU 3 -6.751 3.809 0.736 12 HA LEU 3 HA LEU 3 -6.927 4.110 3.609 13 HB2 LEU 3 HB3 LEU 3 -5.158 2.475 1.868 14 HB3 LEU 3 HB2 LEU 3 -5.432 2.278 3.591 15 HG LEU 3 HG LEU 3 -7.417 1.840 1.405 16 HD11 LEU 3 HD11 LEU 3 -7.197 -0.581 2.068 17 HD12 LEU 3 HD12 LEU 3 -5.910 -0.119 3.181 18 HD13 LEU 3 HD13 LEU 3 -5.693 0.097 1.444 19 HD21 LEU 3 HD21 LEU 3 -7.665 1.339 4.381 20 HD22 LEU 3 HD22 LEU 3 -8.846 0.830 3.175 21 HD23 LEU 3 HD23 LEU 3 -8.539 2.545 3.435 22 H GLY 4 H GLY 4 -5.171 5.047 4.713 23 HA2 GLY 4 2HA GLY 4 -3.210 6.470 3.189 24 HA3 GLY 4 1HA GLY 4 -3.317 6.352 4.954 25 H TRP 5 H TRP 5 -0.812 5.877 3.741 26 HA TRP 5 HA TRP 5 -0.755 3.141 3.351 27 HB2 TRP 5 HB3 TRP 5 1.253 3.494 2.459 28 HB3 TRP 5 HB2 TRP 5 0.554 5.052 2.220 29 HD1 TRP 5 HD TRP 5 3.466 3.380 3.616 30 HE1 TRP 5 1HE TRP 5 5.060 4.968 4.633 31 HE3 TRP 5 3HE TRP 5 0.370 7.426 3.819 32 HZ2 TRP 5 2HZ TRP 5 5.030 7.713 5.552 33 HZ3 TRP 5 3HZ TRP 5 1.232 9.488 4.811 34 HH2 TRP 5 HH TRP 5 3.514 9.628 5.655 35 H PHE 6 H PHE 6 1.044 2.012 4.525 36 HA PHE 6 HA PHE 6 1.686 0.926 6.295 37 HB2 PHE 6 HB3 PHE 6 1.048 3.441 7.799 38 HB3 PHE 6 HB2 PHE 6 1.321 1.932 8.661 39 HD1 PHE 6 1HD PHE 6 2.863 4.736 7.066 40 HD2 PHE 6 2HD PHE 6 3.503 0.727 8.295 41 HE1 PHE 6 1HE PHE 6 5.298 5.103 6.995 42 HE2 PHE 6 2HE PHE 6 5.934 1.080 8.225 43 HZ PHE 6 HZ PHE 6 6.836 3.277 7.573 44 H LYS 7 H LYS 7 -1.484 1.702 5.660 45 HA LYS 7 HA LYS 7 -2.552 -0.042 7.656 46 HB2 LYS 7 HB3 LYS 7 -3.884 1.127 5.238 47 HB3 LYS 7 HB2 LYS 7 -4.638 0.516 6.690 48 HG2 LYS 7 2HG LYS 7 -2.903 2.961 6.604 49 HG3 LYS 7 1HG LYS 7 -4.654 2.995 6.533 50 HD2 LYS 7 2HD LYS 7 -4.709 1.905 8.766 51 HD3 LYS 7 1HD LYS 7 -2.941 1.953 8.805 52 HE2 LYS 7 2HE LYS 7 -3.015 4.396 8.629 53 HE3 LYS 7 1HE LYS 7 -4.769 4.348 8.611 54 HZ1 LYS 7 1HZ LYS 7 -2.993 3.548 10.830 55 HZ2 LYS 7 2HZ LYS 7 -4.666 3.335 10.846 56 HZ3 LYS 7 3HZ LYS 7 -4.008 4.883 10.775 57 H SER 8 H SER 8 -3.392 -1.962 7.096 58 HA SER 8 HA SER 8 -1.964 -3.451 5.170 59 HB2 SER 8 HB3 SER 8 -4.257 -4.194 6.963 60 HB3 SER 8 HB2 SER 8 -3.197 -5.291 6.080 61 HG SER 8 HG SER 8 -1.636 -3.670 7.427 62 H CYS 9 H CYS 9 -2.654 -4.317 3.235 63 HA CYS 9 HA CYS 9 -5.328 -4.593 2.558 64 HB2 CYS 9 HB3 CYS 9 -4.953 -3.334 0.417 65 HB3 CYS 9 HB2 CYS 9 -5.342 -2.360 1.832 66 H ASP 10 H ASP 10 -5.241 -5.293 0.150 67 HA ASP 10 HA ASP 10 -3.157 -7.363 0.087 68 HB2 ASP 10 HB3 ASP 10 -5.533 -8.087 0.102 69 HB3 ASP 10 HB2 ASP 10 -5.786 -7.213 -1.401 70 HA PRO 11 HA PRO 11 -1.228 -5.202 -3.269 71 HB2 PRO 11 HB3 PRO 11 -0.095 -7.339 -4.577 72 HB3 PRO 11 HB2 PRO 11 0.585 -6.575 -3.136 73 HG2 PRO 11 2HG PRO 11 -1.105 -9.030 -3.351 74 HG3 PRO 11 1HG PRO 11 0.350 -8.760 -2.374 75 HD2 PRO 11 2HD PRO 11 -2.079 -8.656 -1.283 76 HD3 PRO 11 1HD PRO 11 -0.808 -7.516 -0.783 77 H LYS 12 H LYS 12 -3.416 -7.964 -4.016 78 HA LYS 12 HA LYS 12 -3.593 -7.045 -6.720 79 HB2 LYS 12 HB3 LYS 12 -4.411 -9.460 -5.209 80 HB3 LYS 12 HB2 LYS 12 -5.238 -9.052 -6.692 81 HG2 LYS 12 2HG LYS 12 -3.474 -10.681 -7.117 82 HG3 LYS 12 1HG LYS 12 -3.069 -9.159 -7.896 83 HD2 LYS 12 2HD LYS 12 -1.548 -8.616 -6.068 84 HD3 LYS 12 1HD LYS 12 -1.981 -10.106 -5.242 85 HE2 LYS 12 2HE LYS 12 0.130 -10.358 -6.379 86 HE3 LYS 12 1HE LYS 12 -1.082 -11.397 -7.120 87 HZ1 LYS 12 1HZ LYS 12 -0.184 -8.768 -8.176 88 HZ2 LYS 12 2HZ LYS 12 -1.314 -9.774 -8.912 89 HZ3 LYS 12 3HZ LYS 12 0.286 -10.275 -8.747 90 H ASN 13 H ASN 13 -5.038 -6.508 -3.774 91 HA ASN 13 HA ASN 13 -7.365 -5.352 -5.123 92 HB2 ASN 13 HB3 ASN 13 -8.024 -7.382 -3.748 93 HB3 ASN 13 HB2 ASN 13 -7.410 -6.546 -2.333 94 HD21 ASN 13 HD21 ASN 13 -10.051 -7.546 -2.921 95 HD22 ASN 13 HD22 ASN 13 -11.134 -6.224 -2.747 96 H ASP 14 H ASP 14 -5.860 -3.649 -5.266 97 HA ASP 14 HA ASP 14 -4.875 -2.437 -2.860 98 HB2 ASP 14 HB3 ASP 14 -3.638 -2.440 -4.990 99 HB3 ASP 14 HB2 ASP 14 -4.850 -1.325 -5.654 100 H LYS 15 H LYS 15 -5.685 -0.909 -1.842 101 HA LYS 15 HA LYS 15 -8.075 0.534 -2.790 102 HB2 LYS 15 HB3 LYS 15 -7.525 -0.592 -0.060 103 HB3 LYS 15 HB2 LYS 15 -8.861 0.462 -0.464 104 HG2 LYS 15 2HG LYS 15 -9.723 -1.283 -1.986 105 HG3 LYS 15 1HG LYS 15 -8.384 -2.330 -1.501 106 HD2 LYS 15 2HD LYS 15 -9.151 -2.213 0.828 107 HD3 LYS 15 1HD LYS 15 -10.495 -1.191 0.328 108 HE2 LYS 15 2HE LYS 15 -9.996 -4.042 -0.514 109 HE3 LYS 15 1HE LYS 15 -11.226 -3.488 0.617 110 HZ1 LYS 15 1HZ LYS 15 -11.088 -2.918 -2.293 111 HZ2 LYS 15 2HZ LYS 15 -12.198 -2.189 -1.268 112 HZ3 LYS 15 3HZ LYS 15 -12.230 -3.858 -1.488 113 H CYS 16 H CYS 16 -5.068 1.084 -2.503 114 HA CYS 16 HA CYS 16 -5.156 3.142 -0.445 115 HB2 CYS 16 HB3 CYS 16 -3.335 1.294 -0.614 116 HB3 CYS 16 HB2 CYS 16 -2.739 2.208 -1.993 117 H CYS 17 H CYS 17 -4.247 5.302 -1.131 118 HA CYS 17 HA CYS 17 -5.355 5.992 -3.587 119 HB2 CYS 17 HB3 CYS 17 -4.070 7.430 -1.375 120 HB3 CYS 17 HB2 CYS 17 -4.083 8.238 -2.931 121 H LYS 18 H LYS 18 -3.943 7.732 -4.840 122 HA LYS 18 HA LYS 18 -2.429 6.107 -6.509 123 HB2 LYS 18 HB3 LYS 18 -3.836 8.081 -7.127 124 HB3 LYS 18 HB2 LYS 18 -2.531 9.115 -6.566 125 HG2 LYS 18 2HG LYS 18 -2.192 7.082 -8.784 126 HG3 LYS 18 1HG LYS 18 -2.740 8.715 -9.095 127 HD2 LYS 18 2HD LYS 18 -0.109 7.973 -7.826 128 HD3 LYS 18 1HD LYS 18 -0.325 8.372 -9.526 129 HE2 LYS 18 2HE LYS 18 -0.845 10.212 -7.181 130 HE3 LYS 18 1HE LYS 18 0.531 10.282 -8.271 131 HZ1 LYS 18 1HZ LYS 18 -2.306 10.741 -9.018 132 HZ2 LYS 18 2HZ LYS 18 -1.012 10.732 -10.103 133 HZ3 LYS 18 3HZ LYS 18 -1.092 11.902 -8.902 134 H ASN 19 H ASN 19 -0.492 6.008 -6.912 135 HA ASN 19 HA ASN 19 1.785 6.031 -6.907 136 HB2 ASN 19 HB3 ASN 19 1.568 8.566 -6.817 137 HB3 ASN 19 HB2 ASN 19 1.756 8.444 -5.079 138 HD21 ASN 19 HD21 ASN 19 3.553 6.418 -7.358 139 HD22 ASN 19 HD22 ASN 19 5.071 7.169 -7.051 140 H TYR 20 H TYR 20 0.105 6.061 -3.990 141 HA TYR 20 HA TYR 20 2.120 4.490 -2.650 142 HB2 TYR 20 HB3 TYR 20 -0.753 5.150 -1.929 143 HB3 TYR 20 HB2 TYR 20 0.374 4.250 -0.947 144 HD1 TYR 20 1HD TYR 20 2.173 5.327 0.228 145 HD2 TYR 20 2HD TYR 20 -0.585 7.605 -2.062 146 HE1 TYR 20 1HE TYR 20 2.917 7.350 1.373 147 HE2 TYR 20 2HE TYR 20 0.159 9.652 -0.918 148 HH TYR 20 HH TYR 20 1.256 10.247 1.252 149 H THR 21 H THR 21 1.498 2.247 -2.097 150 HA THR 21 HA THR 21 -0.768 1.136 -3.376 151 HB THR 21 HB THR 21 0.787 1.396 -5.163 152 HG1 THR 21 1HG THR 21 -0.756 -0.497 -4.795 153 HG21 THR 21 1HG2 THR 21 2.758 -0.150 -5.402 154 HG22 THR 21 2HG2 THR 21 2.503 -0.632 -3.726 155 HG23 THR 21 3HG2 THR 21 2.931 1.035 -4.107 156 H CYS 22 H CYS 22 -1.048 -0.990 -2.929 157 HA CYS 22 HA CYS 22 -0.218 -1.773 -0.346 158 HB2 CYS 22 HB3 CYS 22 -1.656 -3.209 -2.476 159 HB3 CYS 22 HB2 CYS 22 -1.549 -3.735 -0.812 160 H SER 23 H SER 23 1.553 -2.508 0.002 161 HA SER 23 HA SER 23 3.265 -3.752 -1.944 162 HB2 SER 23 HB3 SER 23 4.203 -2.028 -0.494 163 HB3 SER 23 HB2 SER 23 3.650 -2.884 0.935 164 HG SER 23 HG SER 23 5.876 -3.126 0.482 165 H ARG 24 H ARG 24 3.658 -5.878 -1.993 166 HA ARG 24 HA ARG 24 2.244 -7.609 -0.139 167 HB2 ARG 24 HB3 ARG 24 2.558 -8.017 -2.698 168 HB3 ARG 24 HB2 ARG 24 4.201 -8.469 -2.297 169 HG2 ARG 24 2HG ARG 24 1.737 -9.878 -1.234 170 HG3 ARG 24 1HG ARG 24 2.659 -10.393 -2.641 171 HD2 ARG 24 2HD ARG 24 3.663 -10.193 0.189 172 HD3 ARG 24 1HD ARG 24 3.240 -11.686 -0.654 173 HE ARG 24 HE ARG 24 5.056 -10.810 -2.281 174 HH11 ARG 24 1HH1 ARG 24 5.185 -10.659 1.258 175 HH12 ARG 24 2HH1 ARG 24 6.884 -10.769 1.328 176 HH21 ARG 24 1HH2 ARG 24 7.327 -10.918 -2.173 177 HH22 ARG 24 2HH2 ARG 24 8.149 -10.913 -0.686 178 H ARG 25 H ARG 25 5.321 -6.359 -0.840 179 HA ARG 25 HA ARG 25 7.089 -7.966 0.589 180 HB2 ARG 25 HB3 ARG 25 7.719 -6.284 -1.043 181 HB3 ARG 25 HB2 ARG 25 7.070 -5.024 -0.021 182 HG2 ARG 25 2HG ARG 25 8.750 -5.631 1.677 183 HG3 ARG 25 1HG ARG 25 9.481 -6.716 0.481 184 HD2 ARG 25 2HD ARG 25 10.612 -4.536 0.458 185 HD3 ARG 25 1HD ARG 25 9.749 -4.818 -1.058 186 HE ARG 25 HE ARG 25 8.403 -3.287 1.052 187 HH11 ARG 25 1HH1 ARG 25 9.850 -3.254 -2.201 188 HH12 ARG 25 2HH1 ARG 25 9.243 -1.691 -2.526 189 HH21 ARG 25 1HH2 ARG 25 7.592 -1.290 0.530 190 HH22 ARG 25 2HH2 ARG 25 7.946 -0.537 -0.986 191 H ASP 26 H ASP 26 5.515 -4.938 1.459 192 HA ASP 26 HA ASP 26 6.316 -5.181 4.255 193 HB2 ASP 26 HB3 ASP 26 4.655 -3.050 2.888 194 HB3 ASP 26 HB2 ASP 26 5.268 -2.976 4.533 195 H ARG 27 H ARG 27 3.761 -6.008 2.273 196 HA ARG 27 HA ARG 27 1.830 -6.901 2.433 197 HB2 ARG 27 HB3 ARG 27 2.293 -7.164 5.388 198 HB3 ARG 27 HB2 ARG 27 1.008 -7.919 4.438 199 HG2 ARG 27 2HG ARG 27 2.862 -9.019 3.099 200 HG3 ARG 27 1HG ARG 27 3.946 -8.513 4.399 201 HD2 ARG 27 2HD ARG 27 3.213 -10.761 4.843 202 HD3 ARG 27 1HD ARG 27 2.445 -9.684 6.012 203 HE ARG 27 HE ARG 27 0.970 -10.241 3.596 204 HH11 ARG 27 1HH1 ARG 27 1.421 -11.097 7.013 205 HH12 ARG 27 2HH1 ARG 27 -0.110 -11.855 7.133 206 HH21 ARG 27 1HH2 ARG 27 -1.140 -11.253 3.826 207 HH22 ARG 27 2HH2 ARG 27 -1.576 -11.925 5.325 208 H TRP 28 H TRP 28 2.391 -3.969 3.353 209 HA TRP 28 HA TRP 28 -0.424 -3.407 3.504 210 HB2 TRP 28 HB3 TRP 28 -0.036 -1.609 5.212 211 HB3 TRP 28 HB2 TRP 28 0.179 -3.231 5.831 212 HD1 TRP 28 HD TRP 28 2.515 -0.436 4.437 213 HE1 TRP 28 1HE TRP 28 4.602 -0.364 5.950 214 HE3 TRP 28 3HE TRP 28 1.367 -4.250 7.631 215 HZ2 TRP 28 2HZ TRP 28 5.630 -1.731 8.185 216 HZ3 TRP 28 3HZ TRP 28 2.946 -4.796 9.434 217 HH2 TRP 28 HH TRP 28 5.035 -3.556 9.700 218 H CYS 29 H CYS 29 -0.648 -0.862 3.195 219 HA CYS 29 HA CYS 29 0.619 -0.412 0.716 220 HB2 CYS 29 HB3 CYS 29 -1.644 0.347 0.965 221 HB3 CYS 29 HB2 CYS 29 -1.208 1.362 2.342 222 H LYS 30 H LYS 30 2.197 0.875 0.173 223 HA LYS 30 HA LYS 30 3.156 2.885 1.968 224 HB2 LYS 30 HB3 LYS 30 4.903 0.660 0.988 225 HB3 LYS 30 HB2 LYS 30 5.543 2.252 1.269 226 HG2 LYS 30 2HG LYS 30 4.809 2.009 3.669 227 HG3 LYS 30 1HG LYS 30 4.356 0.340 3.272 228 HD2 LYS 30 2HD LYS 30 6.606 -0.178 2.650 229 HD3 LYS 30 1HD LYS 30 7.087 1.507 2.812 230 HE2 LYS 30 2HE LYS 30 6.683 1.401 5.210 231 HE3 LYS 30 1HE LYS 30 6.138 -0.270 5.047 232 HZ1 LYS 30 1HZ LYS 30 8.442 -0.158 5.768 233 HZ2 LYS 30 2HZ LYS 30 8.858 0.693 4.355 234 HZ3 LYS 30 3HZ LYS 30 8.267 -0.896 4.270 235 H TYR 31 H TYR 31 5.070 4.037 0.808 236 HA TYR 31 HA TYR 31 3.881 5.085 -1.580 237 HB2 TYR 31 HB3 TYR 31 4.947 6.404 0.337 238 HB3 TYR 31 HB2 TYR 31 6.488 5.791 -0.234 239 HD1 TYR 31 1HD TYR 31 3.521 7.714 -1.356 240 HD2 TYR 31 2HD TYR 31 7.684 7.030 -1.817 241 HE1 TYR 31 1HE TYR 31 3.669 9.663 -2.818 242 HE2 TYR 31 2HE TYR 31 7.848 8.978 -3.289 243 HH TYR 31 HH TYR 31 6.281 10.269 -4.786 244 H ASP 32 H ASP 32 4.607 4.608 -3.570 245 HA ASP 32 HA ASP 32 6.093 2.290 -4.006 246 HB2 ASP 32 HB3 ASP 32 4.541 3.116 -5.690 247 HB3 ASP 32 HB2 ASP 32 5.582 4.503 -5.995 248 H LEU 33 H LEU 33 7.134 5.566 -4.196 249 HA LEU 33 HA LEU 33 9.865 4.658 -4.696 250 HB2 LEU 33 HB3 LEU 33 8.799 7.490 -4.618 251 HB3 LEU 33 HB2 LEU 33 10.468 7.080 -4.915 252 HG LEU 33 HG LEU 33 9.582 5.802 -6.972 253 HD11 LEU 33 HD11 LEU 33 7.195 7.549 -6.428 254 HD12 LEU 33 HD12 LEU 33 7.238 5.785 -6.443 255 HD13 LEU 33 HD13 LEU 33 7.514 6.687 -7.933 256 HD21 LEU 33 HD21 LEU 33 10.894 7.832 -7.125 257 HD22 LEU 33 HD22 LEU 33 9.453 8.810 -6.858 258 HD23 LEU 33 HD23 LEU 33 9.603 7.846 -8.326 259 HN1 NH2 34 HN1 NH2 34 10.030 3.690 -2.660 260 HN2 NH2 34 HN2 NH2 34 10.439 4.608 -1.255 Start of MODEL 14 1 H1 ASP 1 1HT ASP 1 -13.601 4.537 -0.527 2 H2 ASP 1 2HT ASP 1 -13.112 5.049 -2.027 3 H3 ASP 1 3HT ASP 1 -14.262 5.954 -1.192 4 HA ASP 1 HA ASP 1 -12.106 7.028 -1.093 5 HB2 ASP 1 HB3 ASP 1 -12.704 5.619 1.524 6 HB3 ASP 1 HB2 ASP 1 -11.716 7.060 1.336 7 H CYS 2 H CYS 2 -9.871 6.802 -0.097 8 HA CYS 2 HA CYS 2 -9.014 4.044 -0.298 9 HB2 CYS 2 HB3 CYS 2 -6.865 4.896 -1.093 10 HB3 CYS 2 HB2 CYS 2 -8.164 4.938 -2.265 11 H LEU 3 H LEU 3 -6.787 3.777 0.590 12 HA LEU 3 HA LEU 3 -6.906 4.595 3.351 13 HB2 LEU 3 HB3 LEU 3 -5.006 2.707 2.050 14 HB3 LEU 3 HB2 LEU 3 -5.582 2.748 3.702 15 HG LEU 3 HG LEU 3 -7.265 2.079 1.331 16 HD11 LEU 3 HD11 LEU 3 -5.932 0.266 3.374 17 HD12 LEU 3 HD12 LEU 3 -5.545 0.371 1.654 18 HD13 LEU 3 HD13 LEU 3 -7.102 -0.272 2.173 19 HD21 LEU 3 HD21 LEU 3 -7.790 1.783 4.292 20 HD22 LEU 3 HD22 LEU 3 -8.849 1.184 3.016 21 HD23 LEU 3 HD23 LEU 3 -8.574 2.918 3.193 22 H GLY 4 H GLY 4 -5.115 5.575 4.382 23 HA2 GLY 4 2HA GLY 4 -3.165 6.931 2.783 24 HA3 GLY 4 1HA GLY 4 -3.263 6.899 4.553 25 H TRP 5 H TRP 5 -0.701 6.469 3.724 26 HA TRP 5 HA TRP 5 -0.537 3.765 3.122 27 HB2 TRP 5 HB3 TRP 5 1.528 4.156 2.448 28 HB3 TRP 5 HB2 TRP 5 0.858 5.724 2.226 29 HD1 TRP 5 HD TRP 5 3.556 3.890 4.080 30 HE1 TRP 5 1HE TRP 5 5.140 5.508 5.148 31 HE3 TRP 5 3HE TRP 5 0.762 8.113 3.500 32 HZ2 TRP 5 2HZ TRP 5 5.189 8.319 5.779 33 HZ3 TRP 5 3HZ TRP 5 1.647 10.237 4.382 34 HH2 TRP 5 HH TRP 5 3.811 10.332 5.492 35 H PHE 6 H PHE 6 1.284 2.666 4.262 36 HA PHE 6 HA PHE 6 2.026 1.471 5.959 37 HB2 PHE 6 HB3 PHE 6 2.404 3.842 6.977 38 HB3 PHE 6 HB2 PHE 6 1.002 3.477 7.968 39 HD1 PHE 6 1HD PHE 6 1.225 2.130 9.910 40 HD2 PHE 6 2HD PHE 6 4.418 2.403 7.116 41 HE1 PHE 6 1HE PHE 6 2.718 1.020 11.511 42 HE2 PHE 6 2HE PHE 6 5.911 1.290 8.705 43 HZ PHE 6 HZ PHE 6 5.082 0.597 10.893 44 H LYS 7 H LYS 7 -1.100 2.016 5.234 45 HA LYS 7 HA LYS 7 -2.221 0.308 7.209 46 HB2 LYS 7 HB3 LYS 7 -3.370 1.431 4.681 47 HB3 LYS 7 HB2 LYS 7 -4.258 0.698 5.994 48 HG2 LYS 7 2HG LYS 7 -2.647 3.214 6.234 49 HG3 LYS 7 1HG LYS 7 -4.381 3.179 5.989 50 HD2 LYS 7 2HD LYS 7 -2.874 2.009 8.351 51 HD3 LYS 7 1HD LYS 7 -3.745 3.536 8.361 52 HE2 LYS 7 2HE LYS 7 -5.002 0.822 7.895 53 HE3 LYS 7 1HE LYS 7 -5.004 1.699 9.417 54 HZ1 LYS 7 1HZ LYS 7 -6.260 2.662 6.902 55 HZ2 LYS 7 2HZ LYS 7 -6.271 3.446 8.394 56 HZ3 LYS 7 3HZ LYS 7 -7.055 1.979 8.219 57 H SER 8 H SER 8 -3.042 -1.579 6.690 58 HA SER 8 HA SER 8 -1.487 -3.390 5.297 59 HB2 SER 8 HB3 SER 8 -4.315 -3.703 6.226 60 HB3 SER 8 HB2 SER 8 -3.062 -4.939 6.074 61 HG SER 8 HG SER 8 -2.168 -4.296 7.895 62 H CYS 9 H CYS 9 -1.714 -4.362 3.281 63 HA CYS 9 HA CYS 9 -4.083 -3.937 1.762 64 HB2 CYS 9 HB3 CYS 9 -2.721 -3.104 -0.106 65 HB3 CYS 9 HB2 CYS 9 -2.887 -1.959 1.225 66 H ASP 10 H ASP 10 -3.520 -4.805 -0.493 67 HA ASP 10 HA ASP 10 -1.666 -7.063 -0.516 68 HB2 ASP 10 HB3 ASP 10 -3.975 -7.947 -0.200 69 HB3 ASP 10 HB2 ASP 10 -4.493 -7.051 -1.623 70 HA PRO 11 HA PRO 11 -0.286 -4.628 -3.934 71 HB2 PRO 11 HB3 PRO 11 1.069 -6.539 -5.343 72 HB3 PRO 11 HB2 PRO 11 1.699 -5.754 -3.889 73 HG2 PRO 11 2HG PRO 11 0.263 -8.361 -4.152 74 HG3 PRO 11 1HG PRO 11 1.758 -8.013 -3.257 75 HD2 PRO 11 2HD PRO 11 -0.561 -8.197 -1.985 76 HD3 PRO 11 1HD PRO 11 0.588 -6.912 -1.544 77 H LYS 12 H LYS 12 -2.206 -7.558 -4.590 78 HA LYS 12 HA LYS 12 -2.567 -6.767 -7.301 79 HB2 LYS 12 HB3 LYS 12 -2.371 -9.139 -6.430 80 HB3 LYS 12 HB2 LYS 12 -3.981 -8.933 -5.770 81 HG2 LYS 12 2HG LYS 12 -4.093 -10.087 -7.890 82 HG3 LYS 12 1HG LYS 12 -4.840 -8.487 -8.028 83 HD2 LYS 12 2HD LYS 12 -2.796 -7.599 -8.936 84 HD3 LYS 12 1HD LYS 12 -2.028 -9.166 -8.768 85 HE2 LYS 12 2HE LYS 12 -3.684 -10.114 -10.367 86 HE3 LYS 12 1HE LYS 12 -4.402 -8.516 -10.532 87 HZ1 LYS 12 1HZ LYS 12 -2.877 -8.989 -12.359 88 HZ2 LYS 12 2HZ LYS 12 -1.614 -9.221 -11.286 89 HZ3 LYS 12 3HZ LYS 12 -2.313 -7.704 -11.435 90 H ASN 13 H ASN 13 -3.976 -6.291 -4.256 91 HA ASN 13 HA ASN 13 -6.331 -5.073 -5.521 92 HB2 ASN 13 HB3 ASN 13 -7.011 -7.185 -4.415 93 HB3 ASN 13 HB2 ASN 13 -6.362 -6.583 -2.893 94 HD21 ASN 13 HD21 ASN 13 -8.262 -6.582 -1.807 95 HD22 ASN 13 HD22 ASN 13 -9.612 -5.586 -2.191 96 H ASP 14 H ASP 14 -4.905 -3.255 -5.421 97 HA ASP 14 HA ASP 14 -4.162 -2.230 -2.840 98 HB2 ASP 14 HB3 ASP 14 -2.830 -1.898 -4.891 99 HB3 ASP 14 HB2 ASP 14 -4.124 -0.852 -5.509 100 H LYS 15 H LYS 15 -5.147 -0.759 -1.761 101 HA LYS 15 HA LYS 15 -7.650 0.392 -2.757 102 HB2 LYS 15 HB3 LYS 15 -7.117 -0.958 -0.123 103 HB3 LYS 15 HB2 LYS 15 -8.488 0.100 -0.407 104 HG2 LYS 15 2HG LYS 15 -9.332 -1.420 -2.123 105 HG3 LYS 15 1HG LYS 15 -7.904 -2.437 -1.947 106 HD2 LYS 15 2HD LYS 15 -9.842 -3.396 -0.784 107 HD3 LYS 15 1HD LYS 15 -8.558 -2.978 0.346 108 HE2 LYS 15 2HE LYS 15 -10.752 -2.350 1.220 109 HE3 LYS 15 1HE LYS 15 -9.752 -0.930 0.955 110 HZ1 LYS 15 1HZ LYS 15 -11.973 -0.546 0.194 111 HZ2 LYS 15 2HZ LYS 15 -11.957 -1.880 -0.816 112 HZ3 LYS 15 3HZ LYS 15 -10.973 -0.555 -1.142 113 H CYS 16 H CYS 16 -4.719 1.206 -2.174 114 HA CYS 16 HA CYS 16 -5.156 3.196 -0.119 115 HB2 CYS 16 HB3 CYS 16 -2.646 2.247 -1.517 116 HB3 CYS 16 HB2 CYS 16 -2.697 3.473 -0.256 117 H CYS 17 H CYS 17 -4.119 5.398 -0.650 118 HA CYS 17 HA CYS 17 -5.234 6.303 -3.045 119 HB2 CYS 17 HB3 CYS 17 -3.536 7.625 -0.937 120 HB3 CYS 17 HB2 CYS 17 -4.444 8.453 -2.192 121 H LYS 18 H LYS 18 -3.683 7.901 -4.356 122 HA LYS 18 HA LYS 18 -1.814 6.281 -5.545 123 HB2 LYS 18 HB3 LYS 18 -2.767 9.075 -5.759 124 HB3 LYS 18 HB2 LYS 18 -1.608 8.335 -6.819 125 HG2 LYS 18 2HG LYS 18 -4.494 7.508 -6.454 126 HG3 LYS 18 1HG LYS 18 -3.841 8.384 -7.833 127 HD2 LYS 18 2HD LYS 18 -3.918 6.239 -8.701 128 HD3 LYS 18 1HD LYS 18 -2.294 6.250 -8.034 129 HE2 LYS 18 2HE LYS 18 -3.160 5.072 -5.991 130 HE3 LYS 18 1HE LYS 18 -4.752 5.093 -6.724 131 HZ1 LYS 18 1HZ LYS 18 -4.003 3.724 -8.473 132 HZ2 LYS 18 2HZ LYS 18 -3.562 2.985 -7.009 133 HZ3 LYS 18 3HZ LYS 18 -2.404 3.792 -7.946 134 H ASN 19 H ASN 19 0.236 7.192 -6.077 135 HA ASN 19 HA ASN 19 2.320 7.794 -5.606 136 HB2 ASN 19 HB3 ASN 19 1.171 9.370 -3.276 137 HB3 ASN 19 HB2 ASN 19 2.881 9.349 -3.699 138 HD21 ASN 19 HD21 ASN 19 0.927 11.549 -3.648 139 HD22 ASN 19 HD22 ASN 19 0.970 12.237 -5.229 140 H TYR 20 H TYR 20 0.416 6.597 -3.088 141 HA TYR 20 HA TYR 20 2.582 5.159 -1.870 142 HB2 TYR 20 HB3 TYR 20 -0.359 4.766 -1.384 143 HB3 TYR 20 HB2 TYR 20 0.996 4.467 -0.309 144 HD1 TYR 20 1HD TYR 20 2.464 6.763 0.101 145 HD2 TYR 20 2HD TYR 20 -1.674 6.521 -0.804 146 HE1 TYR 20 1HE TYR 20 2.125 8.977 1.092 147 HE2 TYR 20 2HE TYR 20 -2.034 8.732 0.181 148 HH TYR 20 HH TYR 20 0.564 10.808 0.971 149 H THR 21 H THR 21 2.740 2.945 -2.035 150 HA THR 21 HA THR 21 0.976 1.560 -3.888 151 HB THR 21 HB THR 21 3.982 1.326 -3.968 152 HG1 THR 21 1HG THR 21 2.267 3.150 -5.037 153 HG21 THR 21 1HG2 THR 21 1.839 0.415 -5.902 154 HG22 THR 21 2HG2 THR 21 2.751 -0.626 -4.809 155 HG23 THR 21 3HG2 THR 21 3.575 0.199 -6.133 156 H CYS 22 H CYS 22 0.913 -0.635 -3.416 157 HA CYS 22 HA CYS 22 1.292 -1.178 -0.633 158 HB2 CYS 22 HB3 CYS 22 -0.730 -1.842 -1.752 159 HB3 CYS 22 HB2 CYS 22 0.206 -2.917 -2.811 160 H SER 23 H SER 23 2.680 -2.424 0.277 161 HA SER 23 HA SER 23 4.730 -3.676 -1.388 162 HB2 SER 23 HB3 SER 23 5.529 -2.099 0.349 163 HB3 SER 23 HB2 SER 23 4.693 -3.041 1.575 164 HG SER 23 HG SER 23 6.803 -3.927 -0.088 165 H ARG 24 H ARG 24 4.875 -5.880 -1.363 166 HA ARG 24 HA ARG 24 2.874 -7.294 0.199 167 HB2 ARG 24 HB3 ARG 24 3.619 -7.711 -2.324 168 HB3 ARG 24 HB2 ARG 24 4.851 -8.699 -1.564 169 HG2 ARG 24 2HG ARG 24 1.889 -9.069 -1.125 170 HG3 ARG 24 1HG ARG 24 2.813 -9.939 -2.336 171 HD2 ARG 24 2HD ARG 24 4.132 -10.988 -0.617 172 HD3 ARG 24 1HD ARG 24 3.343 -10.007 0.626 173 HE ARG 24 HE ARG 24 1.279 -11.218 -0.532 174 HH11 ARG 24 1HH1 ARG 24 4.317 -12.568 0.602 175 HH12 ARG 24 2HH1 ARG 24 3.662 -14.047 1.107 176 HH21 ARG 24 1HH2 ARG 24 0.342 -13.228 0.160 177 HH22 ARG 24 2HH2 ARG 24 1.334 -14.416 0.889 178 H ARG 25 H ARG 25 6.160 -6.475 0.204 179 HA ARG 25 HA ARG 25 7.112 -8.541 1.903 180 HB2 ARG 25 HB3 ARG 25 8.584 -7.267 0.435 181 HB3 ARG 25 HB2 ARG 25 8.148 -5.790 1.258 182 HG2 ARG 25 2HG ARG 25 10.302 -6.446 2.001 183 HG3 ARG 25 1HG ARG 25 9.120 -6.652 3.300 184 HD2 ARG 25 2HD ARG 25 10.046 -8.913 1.534 185 HD3 ARG 25 1HD ARG 25 10.848 -8.527 3.054 186 HE ARG 25 HE ARG 25 8.515 -8.928 4.028 187 HH11 ARG 25 1HH1 ARG 25 9.843 -10.717 1.270 188 HH12 ARG 25 2HH1 ARG 25 8.890 -12.103 1.525 189 HH21 ARG 25 1HH2 ARG 25 7.254 -10.861 4.409 190 HH22 ARG 25 2HH2 ARG 25 7.391 -12.197 3.364 191 H ASP 26 H ASP 26 6.383 -5.115 2.330 192 HA ASP 26 HA ASP 26 6.375 -5.384 5.195 193 HB2 ASP 26 HB3 ASP 26 5.726 -3.040 3.396 194 HB3 ASP 26 HB2 ASP 26 5.609 -2.964 5.147 195 H ARG 27 H ARG 27 4.069 -5.656 2.668 196 HA ARG 27 HA ARG 27 1.978 -6.171 2.545 197 HB2 ARG 27 HB3 ARG 27 2.208 -6.763 5.482 198 HB3 ARG 27 HB2 ARG 27 0.774 -7.030 4.490 199 HG2 ARG 27 2HG ARG 27 2.023 -8.555 3.063 200 HG3 ARG 27 1HG ARG 27 3.455 -8.304 4.062 201 HD2 ARG 27 2HD ARG 27 2.259 -10.363 4.655 202 HD3 ARG 27 1HD ARG 27 2.319 -9.198 5.981 203 HE ARG 27 HE ARG 27 -0.027 -9.066 4.327 204 HH11 ARG 27 1HH1 ARG 27 1.422 -10.565 7.184 205 HH12 ARG 27 2HH1 ARG 27 -0.044 -10.768 8.019 206 HH21 ARG 27 1HH2 ARG 27 -2.079 -9.361 5.483 207 HH22 ARG 27 2HH2 ARG 27 -2.066 -10.062 7.038 208 H TRP 28 H TRP 28 2.915 -3.471 3.494 209 HA TRP 28 HA TRP 28 0.242 -2.407 3.625 210 HB2 TRP 28 HB3 TRP 28 0.943 -0.642 5.245 211 HB3 TRP 28 HB2 TRP 28 0.915 -2.246 5.941 212 HD1 TRP 28 HD TRP 28 3.594 0.149 4.436 213 HE1 TRP 28 1HE TRP 28 5.733 -0.070 5.887 214 HE3 TRP 28 3HE TRP 28 2.007 -3.422 7.714 215 HZ2 TRP 28 2HZ TRP 28 6.609 -1.556 8.111 216 HZ3 TRP 28 3HZ TRP 28 3.547 -4.181 9.478 217 HH2 TRP 28 HH TRP 28 5.801 -3.261 9.665 218 H CYS 29 H CYS 29 0.094 -0.192 2.887 219 HA CYS 29 HA CYS 29 1.643 0.184 0.582 220 HB2 CYS 29 HB3 CYS 29 -0.473 1.749 1.994 221 HB3 CYS 29 HB2 CYS 29 0.243 2.248 0.467 222 H LYS 30 H LYS 30 3.301 1.550 0.250 223 HA LYS 30 HA LYS 30 3.882 3.560 2.285 224 HB2 LYS 30 HB3 LYS 30 6.006 1.980 0.855 225 HB3 LYS 30 HB2 LYS 30 6.196 3.164 2.107 226 HG2 LYS 30 2HG LYS 30 5.215 1.721 3.759 227 HG3 LYS 30 1HG LYS 30 4.847 0.514 2.528 228 HD2 LYS 30 2HD LYS 30 7.601 1.417 3.367 229 HD3 LYS 30 1HD LYS 30 6.823 -0.104 3.810 230 HE2 LYS 30 2HE LYS 30 6.725 -0.702 1.408 231 HE3 LYS 30 1HE LYS 30 7.608 0.774 1.027 232 HZ1 LYS 30 1HZ LYS 30 8.561 -1.528 2.614 233 HZ2 LYS 30 2HZ LYS 30 9.374 -0.063 2.522 234 HZ3 LYS 30 3HZ LYS 30 9.166 -0.981 1.123 235 H TYR 31 H TYR 31 5.614 5.093 1.218 236 HA TYR 31 HA TYR 31 4.296 6.015 -1.161 237 HB2 TYR 31 HB3 TYR 31 5.084 7.525 0.692 238 HB3 TYR 31 HB2 TYR 31 6.735 7.131 0.246 239 HD1 TYR 31 1HD TYR 31 7.632 7.914 -1.965 240 HD2 TYR 31 2HD TYR 31 3.806 9.089 -0.532 241 HE1 TYR 31 1HE TYR 31 7.598 9.757 -3.576 242 HE2 TYR 31 2HE TYR 31 3.763 10.926 -2.136 243 HH TYR 31 HH TYR 31 5.394 12.282 -3.367 244 H ASP 32 H ASP 32 4.885 5.385 -3.106 245 HA ASP 32 HA ASP 32 7.636 4.397 -3.474 246 HB2 ASP 32 HB3 ASP 32 6.065 2.529 -3.623 247 HB3 ASP 32 HB2 ASP 32 5.151 3.382 -4.860 248 H LEU 33 H LEU 33 4.972 5.490 -5.404 249 HA LEU 33 HA LEU 33 6.514 7.635 -6.519 250 HB2 LEU 33 HB3 LEU 33 7.150 5.457 -7.823 251 HB3 LEU 33 HB2 LEU 33 5.544 5.572 -8.494 252 HG LEU 33 HG LEU 33 7.668 7.709 -8.820 253 HD11 LEU 33 HD11 LEU 33 8.375 5.661 -9.893 254 HD12 LEU 33 HD12 LEU 33 7.934 6.877 -11.092 255 HD13 LEU 33 HD13 LEU 33 6.831 5.549 -10.739 256 HD21 LEU 33 HD21 LEU 33 6.232 8.537 -10.637 257 HD22 LEU 33 HD22 LEU 33 5.387 8.569 -9.090 258 HD23 LEU 33 HD23 LEU 33 5.034 7.298 -10.257 259 HN1 NH2 34 HN1 NH2 34 5.042 9.091 -6.254 260 HN2 NH2 34 HN2 NH2 34 3.364 8.972 -6.644 Start of MODEL 15 1 H1 ASP 1 1HT ASP 1 -13.417 5.458 0.267 2 H2 ASP 1 2HT ASP 1 -12.897 6.158 -1.142 3 H3 ASP 1 3HT ASP 1 -13.805 7.076 -0.055 4 HA ASP 1 HA ASP 1 -11.447 7.648 0.054 5 HB2 ASP 1 HB3 ASP 1 -12.381 6.016 2.423 6 HB3 ASP 1 HB2 ASP 1 -10.978 7.064 2.443 7 H CYS 2 H CYS 2 -9.280 6.861 0.674 8 HA CYS 2 HA CYS 2 -8.960 4.055 -0.139 9 HB2 CYS 2 HB3 CYS 2 -6.739 4.641 -0.769 10 HB3 CYS 2 HB2 CYS 2 -7.879 5.616 -1.701 11 H LEU 3 H LEU 3 -6.568 3.530 0.656 12 HA LEU 3 HA LEU 3 -6.639 3.679 3.522 13 HB2 LEU 3 HB3 LEU 3 -4.586 2.411 1.756 14 HB3 LEU 3 HB2 LEU 3 -4.973 2.071 3.424 15 HG LEU 3 HG LEU 3 -6.698 1.490 1.074 16 HD11 LEU 3 HD11 LEU 3 -4.736 0.049 1.124 17 HD12 LEU 3 HD12 LEU 3 -6.127 -0.909 1.648 18 HD13 LEU 3 HD13 LEU 3 -4.985 -0.294 2.834 19 HD21 LEU 3 HD21 LEU 3 -8.026 1.893 3.055 20 HD22 LEU 3 HD22 LEU 3 -7.046 0.757 3.983 21 HD23 LEU 3 HD23 LEU 3 -8.062 0.175 2.663 22 H GLY 4 H GLY 4 -5.029 4.782 4.648 23 HA2 GLY 4 2HA GLY 4 -3.237 6.412 3.103 24 HA3 GLY 4 1HA GLY 4 -3.397 6.429 4.875 25 H TRP 5 H TRP 5 -0.750 6.110 3.968 26 HA TRP 5 HA TRP 5 -0.510 3.404 3.499 27 HB2 TRP 5 HB3 TRP 5 1.549 3.839 2.845 28 HB3 TRP 5 HB2 TRP 5 0.873 5.404 2.643 29 HD1 TRP 5 HD TRP 5 3.668 3.634 4.288 30 HE1 TRP 5 1HE TRP 5 5.145 5.199 5.510 31 HE3 TRP 5 3HE TRP 5 0.574 7.707 4.266 32 HZ2 TRP 5 2HZ TRP 5 5.035 7.914 6.473 33 HZ3 TRP 5 3HZ TRP 5 1.348 9.753 5.386 34 HH2 TRP 5 HH TRP 5 3.528 9.852 6.462 35 H PHE 6 H PHE 6 1.147 2.254 4.720 36 HA PHE 6 HA PHE 6 1.692 1.036 6.463 37 HB2 PHE 6 HB3 PHE 6 0.801 3.387 8.125 38 HB3 PHE 6 HB2 PHE 6 1.203 1.833 8.843 39 HD1 PHE 6 1HD PHE 6 3.520 0.869 7.796 40 HD2 PHE 6 2HD PHE 6 2.485 4.964 8.265 41 HE1 PHE 6 1HE PHE 6 5.902 1.454 7.878 42 HE2 PHE 6 2HE PHE 6 4.870 5.555 8.337 43 HZ PHE 6 HZ PHE 6 6.588 3.775 8.143 44 H LYS 7 H LYS 7 -1.363 1.664 5.477 45 HA LYS 7 HA LYS 7 -2.574 -0.130 7.352 46 HB2 LYS 7 HB3 LYS 7 -3.730 1.132 4.910 47 HB3 LYS 7 HB2 LYS 7 -4.576 0.426 6.263 48 HG2 LYS 7 2HG LYS 7 -2.865 2.857 6.509 49 HG3 LYS 7 1HG LYS 7 -4.597 2.921 6.256 50 HD2 LYS 7 2HD LYS 7 -4.868 1.607 8.371 51 HD3 LYS 7 1HD LYS 7 -3.117 1.688 8.583 52 HE2 LYS 7 2HE LYS 7 -4.962 4.045 8.386 53 HE3 LYS 7 1HE LYS 7 -4.317 3.391 9.893 54 HZ1 LYS 7 1HZ LYS 7 -2.074 3.985 9.124 55 HZ2 LYS 7 2HZ LYS 7 -3.081 5.325 9.116 56 HZ3 LYS 7 3HZ LYS 7 -2.707 4.589 7.679 57 H SER 8 H SER 8 -3.260 -2.026 6.731 58 HA SER 8 HA SER 8 -1.661 -3.477 4.951 59 HB2 SER 8 HB3 SER 8 -4.146 -4.299 6.429 60 HB3 SER 8 HB2 SER 8 -2.855 -5.335 5.817 61 HG SER 8 HG SER 8 -2.663 -4.872 8.064 62 H CYS 9 H CYS 9 -2.241 -4.531 3.025 63 HA CYS 9 HA CYS 9 -4.790 -3.932 1.918 64 HB2 CYS 9 HB3 CYS 9 -3.591 -3.034 -0.123 65 HB3 CYS 9 HB2 CYS 9 -3.745 -1.967 1.274 66 H ASP 10 H ASP 10 -4.632 -4.638 -0.512 67 HA ASP 10 HA ASP 10 -3.301 -7.256 -0.771 68 HB2 ASP 10 HB3 ASP 10 -5.818 -7.288 -0.647 69 HB3 ASP 10 HB2 ASP 10 -5.850 -6.232 -2.049 70 HA PRO 11 HA PRO 11 -1.299 -4.894 -3.998 71 HB2 PRO 11 HB3 PRO 11 0.211 -6.891 -5.020 72 HB3 PRO 11 HB2 PRO 11 0.628 -6.047 -3.518 73 HG2 PRO 11 2HG PRO 11 -0.636 -8.722 -3.926 74 HG3 PRO 11 1HG PRO 11 0.530 -8.210 -2.696 75 HD2 PRO 11 2HD PRO 11 -2.168 -8.483 -2.259 76 HD3 PRO 11 1HD PRO 11 -1.108 -7.413 -1.320 77 H LYS 12 H LYS 12 -3.191 -7.813 -4.600 78 HA LYS 12 HA LYS 12 -2.994 -7.683 -7.413 79 HB2 LYS 12 HB3 LYS 12 -4.806 -9.174 -5.531 80 HB3 LYS 12 HB2 LYS 12 -4.625 -9.474 -7.247 81 HG2 LYS 12 2HG LYS 12 -2.305 -10.160 -6.888 82 HG3 LYS 12 1HG LYS 12 -2.470 -9.810 -5.166 83 HD2 LYS 12 2HD LYS 12 -4.249 -11.501 -5.012 84 HD3 LYS 12 1HD LYS 12 -4.032 -11.869 -6.724 85 HE2 LYS 12 2HE LYS 12 -2.871 -13.518 -5.393 86 HE3 LYS 12 1HE LYS 12 -1.702 -12.520 -6.253 87 HZ1 LYS 12 1HZ LYS 12 -1.084 -12.955 -3.955 88 HZ2 LYS 12 2HZ LYS 12 -2.455 -12.154 -3.394 89 HZ3 LYS 12 3HZ LYS 12 -1.247 -11.312 -4.225 90 H ASN 13 H ASN 13 -4.972 -6.453 -4.854 91 HA ASN 13 HA ASN 13 -6.206 -4.690 -6.754 92 HB2 ASN 13 HB3 ASN 13 -7.787 -6.614 -6.506 93 HB3 ASN 13 HB2 ASN 13 -7.941 -6.220 -4.806 94 HD21 ASN 13 HD21 ASN 13 -9.883 -6.155 -7.092 95 HD22 ASN 13 HD22 ASN 13 -10.583 -4.574 -7.033 96 H ASP 14 H ASP 14 -4.945 -3.250 -5.943 97 HA ASP 14 HA ASP 14 -4.459 -2.620 -3.255 98 HB2 ASP 14 HB3 ASP 14 -2.999 -2.083 -5.177 99 HB3 ASP 14 HB2 ASP 14 -4.188 -0.896 -5.703 100 H LYS 15 H LYS 15 -5.244 -1.046 -2.012 101 HA LYS 15 HA LYS 15 -7.746 0.296 -2.815 102 HB2 LYS 15 HB3 LYS 15 -7.013 -0.943 -0.181 103 HB3 LYS 15 HB2 LYS 15 -8.447 0.017 -0.476 104 HG2 LYS 15 2HG LYS 15 -7.779 -2.620 -1.767 105 HG3 LYS 15 1HG LYS 15 -8.901 -2.393 -0.427 106 HD2 LYS 15 2HD LYS 15 -10.238 -0.893 -1.909 107 HD3 LYS 15 1HD LYS 15 -9.161 -1.341 -3.237 108 HE2 LYS 15 2HE LYS 15 -10.867 -3.224 -1.622 109 HE3 LYS 15 1HE LYS 15 -11.205 -2.675 -3.259 110 HZ1 LYS 15 1HZ LYS 15 -10.211 -4.868 -3.244 111 HZ2 LYS 15 2HZ LYS 15 -8.856 -4.303 -2.429 112 HZ3 LYS 15 3HZ LYS 15 -9.183 -3.764 -4.000 113 H CYS 16 H CYS 16 -4.697 0.991 -2.402 114 HA CYS 16 HA CYS 16 -4.966 2.967 -0.263 115 HB2 CYS 16 HB3 CYS 16 -3.066 1.168 -0.390 116 HB3 CYS 16 HB2 CYS 16 -2.435 2.143 -1.706 117 H CYS 17 H CYS 17 -3.969 5.177 -0.886 118 HA CYS 17 HA CYS 17 -4.958 5.835 -3.410 119 HB2 CYS 17 HB3 CYS 17 -3.770 7.331 -1.146 120 HB3 CYS 17 HB2 CYS 17 -3.766 8.094 -2.723 121 H LYS 18 H LYS 18 -3.449 7.490 -4.634 122 HA LYS 18 HA LYS 18 -1.442 5.808 -5.744 123 HB2 LYS 18 HB3 LYS 18 -3.093 7.083 -7.135 124 HB3 LYS 18 HB2 LYS 18 -2.393 8.574 -6.550 125 HG2 LYS 18 2HG LYS 18 -0.564 6.677 -7.928 126 HG3 LYS 18 1HG LYS 18 -1.765 7.474 -8.927 127 HD2 LYS 18 2HD LYS 18 0.215 8.879 -7.132 128 HD3 LYS 18 1HD LYS 18 0.407 8.650 -8.869 129 HE2 LYS 18 2HE LYS 18 -1.818 10.208 -7.523 130 HE3 LYS 18 1HE LYS 18 -0.419 10.884 -8.337 131 HZ1 LYS 18 1HZ LYS 18 -1.186 9.888 -10.412 132 HZ2 LYS 18 2HZ LYS 18 -2.329 10.929 -9.769 133 HZ3 LYS 18 3HZ LYS 18 -2.560 9.273 -9.649 134 H ASN 19 H ASN 19 0.607 6.813 -6.255 135 HA ASN 19 HA ASN 19 2.633 7.669 -5.725 136 HB2 ASN 19 HB3 ASN 19 1.297 9.184 -3.460 137 HB3 ASN 19 HB2 ASN 19 3.000 9.309 -3.900 138 HD21 ASN 19 HD21 ASN 19 -0.231 10.297 -4.603 139 HD22 ASN 19 HD22 ASN 19 0.160 11.455 -5.815 140 H TYR 20 H TYR 20 0.625 6.620 -3.222 141 HA TYR 20 HA TYR 20 2.724 5.128 -1.933 142 HB2 TYR 20 HB3 TYR 20 -0.247 5.329 -1.419 143 HB3 TYR 20 HB2 TYR 20 0.915 4.488 -0.417 144 HD1 TYR 20 1HD TYR 20 -0.526 7.743 -1.184 145 HD2 TYR 20 2HD TYR 20 2.667 5.755 0.791 146 HE1 TYR 20 1HE TYR 20 -0.036 9.787 0.080 147 HE2 TYR 20 2HE TYR 20 3.158 7.780 2.062 148 HH TYR 20 HH TYR 20 1.078 10.372 2.259 149 H THR 21 H THR 21 2.425 2.823 -1.797 150 HA THR 21 HA THR 21 0.634 1.600 -3.738 151 HB THR 21 HB THR 21 3.577 1.028 -3.818 152 HG1 THR 21 1HG THR 21 2.087 3.042 -4.963 153 HG21 THR 21 1HG2 THR 21 1.328 0.386 -5.727 154 HG22 THR 21 2HG2 THR 21 2.136 -0.736 -4.637 155 HG23 THR 21 3HG2 THR 21 3.026 -0.029 -5.985 156 H CYS 22 H CYS 22 0.262 -0.529 -3.261 157 HA CYS 22 HA CYS 22 0.694 -1.329 -0.580 158 HB2 CYS 22 HB3 CYS 22 -1.291 -1.898 -1.923 159 HB3 CYS 22 HB2 CYS 22 -0.317 -3.062 -2.838 160 H SER 23 H SER 23 2.020 -2.781 0.220 161 HA SER 23 HA SER 23 4.102 -3.802 -1.575 162 HB2 SER 23 HB3 SER 23 4.861 -2.103 0.051 163 HB3 SER 23 HB2 SER 23 4.218 -3.078 1.360 164 HG SER 23 HG SER 23 6.398 -3.411 1.183 165 H ARG 24 H ARG 24 4.095 -5.981 -1.723 166 HA ARG 24 HA ARG 24 2.504 -7.568 0.070 167 HB2 ARG 24 HB3 ARG 24 2.735 -8.224 -2.310 168 HB3 ARG 24 HB2 ARG 24 4.461 -8.436 -2.082 169 HG2 ARG 24 2HG ARG 24 3.316 -10.595 -2.091 170 HG3 ARG 24 1HG ARG 24 4.042 -10.269 -0.522 171 HD2 ARG 24 2HD ARG 24 1.893 -9.553 0.350 172 HD3 ARG 24 1HD ARG 24 1.145 -9.832 -1.222 173 HE ARG 24 HE ARG 24 2.401 -12.176 -0.377 174 HH11 ARG 24 1HH1 ARG 24 -0.319 -10.135 0.589 175 HH12 ARG 24 2HH1 ARG 24 -1.267 -11.426 1.166 176 HH21 ARG 24 1HH2 ARG 24 1.107 -13.954 0.435 177 HH22 ARG 24 2HH2 ARG 24 -0.416 -13.622 1.120 178 H ARG 25 H ARG 25 5.697 -6.530 -0.251 179 HA ARG 25 HA ARG 25 7.171 -8.275 1.347 180 HB2 ARG 25 HB3 ARG 25 8.118 -6.570 -0.125 181 HB3 ARG 25 HB2 ARG 25 7.412 -5.309 0.866 182 HG2 ARG 25 2HG ARG 25 8.776 -6.204 2.758 183 HG3 ARG 25 1HG ARG 25 9.625 -7.187 1.555 184 HD2 ARG 25 2HD ARG 25 9.394 -4.176 1.553 185 HD3 ARG 25 1HD ARG 25 10.830 -5.086 2.007 186 HE ARG 25 HE ARG 25 10.139 -5.877 -0.560 187 HH11 ARG 25 1HH1 ARG 25 11.105 -2.872 1.003 188 HH12 ARG 25 2HH1 ARG 25 11.955 -2.257 -0.336 189 HH21 ARG 25 1HH2 ARG 25 11.265 -5.050 -2.421 190 HH22 ARG 25 2HH2 ARG 25 12.056 -3.543 -2.348 191 H ASP 26 H ASP 26 5.639 -5.191 2.073 192 HA ASP 26 HA ASP 26 6.077 -5.516 4.939 193 HB2 ASP 26 HB3 ASP 26 4.757 -3.246 3.433 194 HB3 ASP 26 HB2 ASP 26 5.190 -3.237 5.131 195 H ARG 27 H ARG 27 3.565 -5.891 2.607 196 HA ARG 27 HA ARG 27 1.578 -6.619 2.576 197 HB2 ARG 27 HB3 ARG 27 1.862 -7.135 5.527 198 HB3 ARG 27 HB2 ARG 27 0.446 -7.521 4.539 199 HG2 ARG 27 2HG ARG 27 1.746 -8.978 3.140 200 HG3 ARG 27 1HG ARG 27 3.211 -8.561 4.028 201 HD2 ARG 27 2HD ARG 27 2.302 -9.549 6.031 202 HD3 ARG 27 1HD ARG 27 0.790 -9.911 5.192 203 HE ARG 27 HE ARG 27 2.585 -11.114 3.647 204 HH11 ARG 27 1HH1 ARG 27 2.125 -11.248 7.146 205 HH12 ARG 27 2HH1 ARG 27 2.692 -12.847 7.290 206 HH21 ARG 27 1HH2 ARG 27 3.345 -13.268 3.832 207 HH22 ARG 27 2HH2 ARG 27 3.413 -14.028 5.356 208 H TRP 28 H TRP 28 2.405 -3.854 3.528 209 HA TRP 28 HA TRP 28 -0.316 -2.939 3.493 210 HB2 TRP 28 HB3 TRP 28 0.129 -1.206 5.206 211 HB3 TRP 28 HB2 TRP 28 0.236 -2.824 5.859 212 HD1 TRP 28 HD TRP 28 2.696 -0.163 4.525 213 HE1 TRP 28 1HE TRP 28 4.744 -0.135 6.104 214 HE3 TRP 28 3HE TRP 28 1.332 -3.904 7.694 215 HZ2 TRP 28 2HZ TRP 28 5.628 -1.477 8.375 216 HZ3 TRP 28 3HZ TRP 28 2.827 -4.469 9.561 217 HH2 TRP 28 HH TRP 28 4.936 -3.276 9.890 218 H CYS 29 H CYS 29 -0.335 -0.436 2.904 219 HA CYS 29 HA CYS 29 1.516 -0.316 0.786 220 HB2 CYS 29 HB3 CYS 29 0.176 1.550 0.064 221 HB3 CYS 29 HB2 CYS 29 -0.801 0.100 0.273 222 H LYS 30 H LYS 30 2.964 1.304 0.410 223 HA LYS 30 HA LYS 30 3.417 3.274 2.499 224 HB2 LYS 30 HB3 LYS 30 5.560 1.444 1.383 225 HB3 LYS 30 HB2 LYS 30 5.803 2.827 2.411 226 HG2 LYS 30 2HG LYS 30 4.908 1.784 4.285 227 HG3 LYS 30 1HG LYS 30 4.041 0.608 3.298 228 HD2 LYS 30 2HD LYS 30 5.881 -0.427 4.447 229 HD3 LYS 30 1HD LYS 30 6.136 -0.459 2.706 230 HE2 LYS 30 2HE LYS 30 7.642 1.486 2.967 231 HE3 LYS 30 1HE LYS 30 7.426 1.377 4.714 232 HZ1 LYS 30 1HZ LYS 30 9.415 0.183 4.185 233 HZ2 LYS 30 2HZ LYS 30 8.682 -0.621 2.917 234 HZ3 LYS 30 3HZ LYS 30 8.249 -1.014 4.477 235 H TYR 31 H TYR 31 5.306 4.742 1.635 236 HA TYR 31 HA TYR 31 4.325 5.781 -0.832 237 HB2 TYR 31 HB3 TYR 31 5.091 7.216 1.064 238 HB3 TYR 31 HB2 TYR 31 6.729 6.641 0.791 239 HD1 TYR 31 1HD TYR 31 8.110 7.694 -0.815 240 HD2 TYR 31 2HD TYR 31 3.927 8.462 -0.807 241 HE1 TYR 31 1HE TYR 31 8.434 9.471 -2.465 242 HE2 TYR 31 2HE TYR 31 4.245 10.239 -2.453 243 HH TYR 31 HH TYR 31 7.092 10.652 -4.197 244 H ASP 32 H ASP 32 5.020 5.266 -2.741 245 HA ASP 32 HA ASP 32 7.662 3.975 -3.007 246 HB2 ASP 32 HB3 ASP 32 5.850 2.333 -3.319 247 HB3 ASP 32 HB2 ASP 32 5.161 3.337 -4.584 248 H LEU 33 H LEU 33 5.190 5.432 -4.929 249 HA LEU 33 HA LEU 33 7.107 6.460 -6.844 250 HB2 LEU 33 HB3 LEU 33 4.105 6.700 -6.672 251 HB3 LEU 33 HB2 LEU 33 5.057 7.359 -7.985 252 HG LEU 33 HG LEU 33 4.874 4.429 -7.293 253 HD11 LEU 33 HD11 LEU 33 3.447 4.263 -9.274 254 HD12 LEU 33 HD12 LEU 33 3.515 6.015 -9.468 255 HD13 LEU 33 HD13 LEU 33 2.725 5.316 -8.057 256 HD21 LEU 33 HD21 LEU 33 6.948 5.054 -8.441 257 HD22 LEU 33 HD22 LEU 33 6.010 5.853 -9.700 258 HD23 LEU 33 HD23 LEU 33 5.896 4.107 -9.492 259 HN1 NH2 34 HN1 NH2 34 4.372 8.380 -5.935 260 HN2 NH2 34 HN2 NH2 34 5.250 9.709 -5.267 Start of MODEL 16 1 H1 ASP 1 1HT ASP 1 -13.763 8.138 -0.115 2 H2 ASP 1 2HT ASP 1 -13.443 6.630 0.603 3 H3 ASP 1 3HT ASP 1 -13.116 6.867 -1.012 4 HA ASP 1 HA ASP 1 -11.383 8.376 -0.556 5 HB2 ASP 1 HB3 ASP 1 -12.144 7.936 2.328 6 HB3 ASP 1 HB2 ASP 1 -10.598 8.605 1.828 7 H CYS 2 H CYS 2 -9.268 7.701 -0.114 8 HA CYS 2 HA CYS 2 -9.147 4.805 -0.031 9 HB2 CYS 2 HB3 CYS 2 -6.828 5.256 -0.850 10 HB3 CYS 2 HB2 CYS 2 -8.155 5.468 -1.983 11 H LEU 3 H LEU 3 -6.960 4.027 0.816 12 HA LEU 3 HA LEU 3 -6.902 4.712 3.599 13 HB2 LEU 3 HB3 LEU 3 -5.149 2.807 2.125 14 HB3 LEU 3 HB2 LEU 3 -5.674 2.765 3.792 15 HG LEU 3 HG LEU 3 -7.462 2.365 1.446 16 HD11 LEU 3 HD11 LEU 3 -5.817 0.563 1.533 17 HD12 LEU 3 HD12 LEU 3 -7.359 -0.072 2.100 18 HD13 LEU 3 HD13 LEU 3 -6.093 0.336 3.260 19 HD21 LEU 3 HD21 LEU 3 -9.013 1.404 3.126 20 HD22 LEU 3 HD22 LEU 3 -8.648 3.102 3.431 21 HD23 LEU 3 HD23 LEU 3 -7.877 1.844 4.401 22 H GLY 4 H GLY 4 -5.002 5.414 4.661 23 HA2 GLY 4 2HA GLY 4 -2.968 6.668 3.072 24 HA3 GLY 4 1HA GLY 4 -3.088 6.632 4.842 25 H TRP 5 H TRP 5 -0.568 5.987 3.968 26 HA TRP 5 HA TRP 5 -0.642 3.279 3.424 27 HB2 TRP 5 HB3 TRP 5 1.443 3.518 2.717 28 HB3 TRP 5 HB2 TRP 5 0.864 5.121 2.478 29 HD1 TRP 5 HD TRP 5 3.568 3.198 4.013 30 HE1 TRP 5 1HE TRP 5 5.236 4.669 5.113 31 HE3 TRP 5 3HE TRP 5 0.780 7.490 4.126 32 HZ2 TRP 5 2HZ TRP 5 5.375 7.393 6.061 33 HZ3 TRP 5 3HZ TRP 5 1.756 9.474 5.181 34 HH2 TRP 5 HH TRP 5 4.006 9.426 6.130 35 H PHE 6 H PHE 6 1.087 2.025 4.673 36 HA PHE 6 HA PHE 6 1.531 0.796 6.416 37 HB2 PHE 6 HB3 PHE 6 0.695 3.168 8.067 38 HB3 PHE 6 HB2 PHE 6 1.042 1.600 8.787 39 HD1 PHE 6 1HD PHE 6 3.308 0.539 8.125 40 HD2 PHE 6 2HD PHE 6 2.412 4.670 7.805 41 HE1 PHE 6 1HE PHE 6 5.699 1.044 8.183 42 HE2 PHE 6 2HE PHE 6 4.824 5.192 7.850 43 HZ PHE 6 HZ PHE 6 6.466 3.375 8.046 44 H LYS 7 H LYS 7 -1.553 1.729 5.602 45 HA LYS 7 HA LYS 7 -2.864 -0.055 7.359 46 HB2 LYS 7 HB3 LYS 7 -3.795 1.271 4.824 47 HB3 LYS 7 HB2 LYS 7 -4.782 0.417 5.994 48 HG2 LYS 7 2HG LYS 7 -3.180 2.790 6.762 49 HG3 LYS 7 1HG LYS 7 -4.827 2.914 6.150 50 HD2 LYS 7 2HD LYS 7 -5.578 1.402 7.943 51 HD3 LYS 7 1HD LYS 7 -3.926 1.295 8.535 52 HE2 LYS 7 2HE LYS 7 -5.205 2.848 9.853 53 HE3 LYS 7 1HE LYS 7 -3.904 3.641 8.953 54 HZ1 LYS 7 1HZ LYS 7 -5.465 4.491 7.393 55 HZ2 LYS 7 2HZ LYS 7 -6.025 4.885 8.921 56 HZ3 LYS 7 3HZ LYS 7 -6.744 3.630 8.076 57 H SER 8 H SER 8 -3.777 -1.858 6.735 58 HA SER 8 HA SER 8 -2.223 -3.513 5.050 59 HB2 SER 8 HB3 SER 8 -4.685 -4.038 6.681 60 HB3 SER 8 HB2 SER 8 -3.632 -5.244 5.952 61 HG SER 8 HG SER 8 -3.274 -4.735 8.212 62 H CYS 9 H CYS 9 -2.712 -4.160 3.050 63 HA CYS 9 HA CYS 9 -5.313 -4.512 2.143 64 HB2 CYS 9 HB3 CYS 9 -4.780 -3.141 0.090 65 HB3 CYS 9 HB2 CYS 9 -5.364 -2.265 1.498 66 H ASP 10 H ASP 10 -5.010 -5.168 -0.237 67 HA ASP 10 HA ASP 10 -2.714 -6.985 -0.193 68 HB2 ASP 10 HB3 ASP 10 -4.977 -8.027 -0.280 69 HB3 ASP 10 HB2 ASP 10 -5.260 -7.201 -1.810 70 HA PRO 11 HA PRO 11 -0.868 -4.553 -3.409 71 HB2 PRO 11 HB3 PRO 11 0.494 -6.614 -4.664 72 HB3 PRO 11 HB2 PRO 11 1.086 -5.679 -3.286 73 HG2 PRO 11 2HG PRO 11 -0.227 -8.359 -3.329 74 HG3 PRO 11 1HG PRO 11 1.114 -7.757 -2.332 75 HD2 PRO 11 2HD PRO 11 -1.339 -8.006 -1.342 76 HD3 PRO 11 1HD PRO 11 -0.289 -6.647 -0.878 77 H LYS 12 H LYS 12 -2.690 -7.535 -4.255 78 HA LYS 12 HA LYS 12 -2.743 -6.770 -6.989 79 HB2 LYS 12 HB3 LYS 12 -3.702 -9.083 -5.367 80 HB3 LYS 12 HB2 LYS 12 -4.276 -8.838 -6.996 81 HG2 LYS 12 2HG LYS 12 -2.441 -10.464 -6.973 82 HG3 LYS 12 1HG LYS 12 -1.932 -9.010 -7.819 83 HD2 LYS 12 2HD LYS 12 -0.732 -8.262 -5.827 84 HD3 LYS 12 1HD LYS 12 -1.279 -9.678 -4.943 85 HE2 LYS 12 2HE LYS 12 0.458 -9.722 -7.409 86 HE3 LYS 12 1HE LYS 12 1.038 -9.886 -5.753 87 HZ1 LYS 12 1HZ LYS 12 -0.325 -11.924 -5.567 88 HZ2 LYS 12 2HZ LYS 12 0.824 -12.039 -6.765 89 HZ3 LYS 12 3HZ LYS 12 -0.770 -11.774 -7.181 90 H ASN 13 H ASN 13 -4.500 -6.173 -4.167 91 HA ASN 13 HA ASN 13 -6.681 -5.030 -5.754 92 HB2 ASN 13 HB3 ASN 13 -7.431 -7.145 -4.565 93 HB3 ASN 13 HB2 ASN 13 -7.034 -6.367 -3.044 94 HD21 ASN 13 HD21 ASN 13 -9.540 -7.406 -3.948 95 HD22 ASN 13 HD22 ASN 13 -10.679 -6.101 -3.910 96 H ASP 14 H ASP 14 -5.193 -3.250 -5.590 97 HA ASP 14 HA ASP 14 -4.300 -2.244 -3.108 98 HB2 ASP 14 HB3 ASP 14 -3.347 -1.856 -5.440 99 HB3 ASP 14 HB2 ASP 14 -4.609 -0.624 -5.600 100 H LYS 15 H LYS 15 -5.029 -0.543 -1.995 101 HA LYS 15 HA LYS 15 -7.699 0.412 -2.660 102 HB2 LYS 15 HB3 LYS 15 -7.677 -1.687 -1.189 103 HB3 LYS 15 HB2 LYS 15 -7.037 -0.659 0.068 104 HG2 LYS 15 2HG LYS 15 -9.429 -0.963 0.324 105 HG3 LYS 15 1HG LYS 15 -9.036 0.725 -0.013 106 HD2 LYS 15 2HD LYS 15 -10.987 0.009 -1.314 107 HD3 LYS 15 1HD LYS 15 -9.612 0.400 -2.349 108 HE2 LYS 15 2HE LYS 15 -9.097 -1.967 -2.612 109 HE3 LYS 15 1HE LYS 15 -10.414 -2.393 -1.520 110 HZ1 LYS 15 1HZ LYS 15 -11.960 -1.432 -3.136 111 HZ2 LYS 15 2HZ LYS 15 -11.034 -2.658 -3.834 112 HZ3 LYS 15 3HZ LYS 15 -10.674 -1.062 -4.156 113 H CYS 16 H CYS 16 -4.631 1.344 -1.975 114 HA CYS 16 HA CYS 16 -5.534 3.397 -0.141 115 HB2 CYS 16 HB3 CYS 16 -3.147 3.796 0.395 116 HB3 CYS 16 HB2 CYS 16 -3.698 2.180 0.792 117 H CYS 17 H CYS 17 -4.146 5.542 -0.443 118 HA CYS 17 HA CYS 17 -5.169 6.599 -2.763 119 HB2 CYS 17 HB3 CYS 17 -3.221 7.673 -0.757 120 HB3 CYS 17 HB2 CYS 17 -4.057 8.625 -1.972 121 H LYS 18 H LYS 18 -3.886 7.942 -4.189 122 HA LYS 18 HA LYS 18 -2.181 6.344 -5.719 123 HB2 LYS 18 HB3 LYS 18 -3.758 8.038 -6.637 124 HB3 LYS 18 HB2 LYS 18 -2.759 9.303 -5.959 125 HG2 LYS 18 2HG LYS 18 -2.419 9.026 -8.379 126 HG3 LYS 18 1HG LYS 18 -0.947 8.746 -7.456 127 HD2 LYS 18 2HD LYS 18 -1.230 7.106 -9.270 128 HD3 LYS 18 1HD LYS 18 -1.217 6.344 -7.689 129 HE2 LYS 18 2HE LYS 18 -3.706 6.263 -7.771 130 HE3 LYS 18 1HE LYS 18 -3.646 6.937 -9.395 131 HZ1 LYS 18 1HZ LYS 18 -3.869 4.514 -9.417 132 HZ2 LYS 18 2HZ LYS 18 -2.439 4.354 -8.558 133 HZ3 LYS 18 3HZ LYS 18 -2.411 4.976 -10.115 134 H ASN 19 H ASN 19 -0.144 6.689 -6.248 135 HA ASN 19 HA ASN 19 2.078 6.948 -6.020 136 HB2 ASN 19 HB3 ASN 19 1.432 9.212 -4.117 137 HB3 ASN 19 HB2 ASN 19 3.069 8.677 -4.454 138 HD21 ASN 19 HD21 ASN 19 3.679 10.627 -5.345 139 HD22 ASN 19 HD22 ASN 19 3.077 11.188 -6.863 140 H TYR 20 H TYR 20 0.127 6.463 -3.346 141 HA TYR 20 HA TYR 20 2.168 4.871 -2.052 142 HB2 TYR 20 HB3 TYR 20 -0.764 5.240 -1.393 143 HB3 TYR 20 HB2 TYR 20 0.466 4.474 -0.407 144 HD1 TYR 20 1HD TYR 20 2.201 5.853 0.704 145 HD2 TYR 20 2HD TYR 20 -1.054 7.595 -1.382 146 HE1 TYR 20 1HE TYR 20 2.599 7.972 1.868 147 HE2 TYR 20 2HE TYR 20 -0.672 9.714 -0.241 148 HH TYR 20 HH TYR 20 0.339 10.488 1.831 149 H THR 21 H THR 21 1.686 2.562 -1.807 150 HA THR 21 HA THR 21 -0.505 1.457 -3.226 151 HB THR 21 HB THR 21 1.023 1.898 -4.939 152 HG1 THR 21 1HG THR 21 -0.249 -0.172 -4.756 153 HG21 THR 21 1HG2 THR 21 3.198 0.710 -5.179 154 HG22 THR 21 2HG2 THR 21 2.972 0.075 -3.547 155 HG23 THR 21 3HG2 THR 21 3.125 1.816 -3.802 156 H CYS 22 H CYS 22 -0.766 -0.643 -2.830 157 HA CYS 22 HA CYS 22 0.084 -1.553 -0.273 158 HB2 CYS 22 HB3 CYS 22 -1.412 -2.936 -2.432 159 HB3 CYS 22 HB2 CYS 22 -1.338 -3.420 -0.750 160 H SER 23 H SER 23 1.745 -2.649 0.115 161 HA SER 23 HA SER 23 3.465 -3.671 -1.996 162 HB2 SER 23 HB3 SER 23 4.500 -2.200 -0.390 163 HB3 SER 23 HB2 SER 23 3.865 -3.135 0.952 164 HG SER 23 HG SER 23 6.107 -3.494 0.440 165 H ARG 24 H ARG 24 4.177 -5.805 -2.060 166 HA ARG 24 HA ARG 24 2.512 -7.737 -0.641 167 HB2 ARG 24 HB3 ARG 24 3.213 -7.726 -3.227 168 HB3 ARG 24 HB2 ARG 24 4.658 -8.495 -2.611 169 HG2 ARG 24 2HG ARG 24 1.824 -9.579 -2.424 170 HG3 ARG 24 1HG ARG 24 3.104 -10.148 -3.474 171 HD2 ARG 24 2HD ARG 24 4.380 -10.833 -1.490 172 HD3 ARG 24 1HD ARG 24 3.063 -10.277 -0.464 173 HE ARG 24 HE ARG 24 2.364 -12.207 -2.497 174 HH11 ARG 24 1HH1 ARG 24 3.251 -11.665 0.893 175 HH12 ARG 24 2HH1 ARG 24 2.708 -13.201 1.403 176 HH21 ARG 24 1HH2 ARG 24 1.580 -14.329 -1.732 177 HH22 ARG 24 2HH2 ARG 24 1.784 -14.713 -0.078 178 H ARG 25 H ARG 25 5.669 -6.483 -0.922 179 HA ARG 25 HA ARG 25 7.118 -8.459 0.528 180 HB2 ARG 25 HB3 ARG 25 7.901 -6.507 -1.074 181 HB3 ARG 25 HB2 ARG 25 7.910 -5.574 0.403 182 HG2 ARG 25 2HG ARG 25 9.477 -8.099 -0.012 183 HG3 ARG 25 1HG ARG 25 10.115 -6.483 -0.277 184 HD2 ARG 25 2HD ARG 25 9.843 -5.943 2.060 185 HD3 ARG 25 1HD ARG 25 9.028 -7.476 2.364 186 HE ARG 25 HE ARG 25 11.615 -7.861 1.272 187 HH11 ARG 25 1HH1 ARG 25 10.013 -7.006 4.321 188 HH12 ARG 25 2HH1 ARG 25 11.215 -7.694 5.304 189 HH21 ARG 25 1HH2 ARG 25 13.284 -8.787 2.655 190 HH22 ARG 25 2HH2 ARG 25 13.118 -8.689 4.346 191 H ASP 26 H ASP 26 5.637 -5.385 1.299 192 HA ASP 26 HA ASP 26 6.319 -5.659 4.128 193 HB2 ASP 26 HB3 ASP 26 4.918 -3.405 2.684 194 HB3 ASP 26 HB2 ASP 26 5.446 -3.385 4.358 195 H ARG 27 H ARG 27 3.651 -6.016 1.959 196 HA ARG 27 HA ARG 27 1.629 -6.735 2.095 197 HB2 ARG 27 HB3 ARG 27 2.204 -7.411 4.985 198 HB3 ARG 27 HB2 ARG 27 0.817 -7.930 4.007 199 HG2 ARG 27 2HG ARG 27 2.232 -9.206 2.564 200 HG3 ARG 27 1HG ARG 27 3.669 -8.606 3.386 201 HD2 ARG 27 2HD ARG 27 1.507 -10.270 4.664 202 HD3 ARG 27 1HD ARG 27 3.047 -10.885 4.066 203 HE ARG 27 HE ARG 27 3.507 -8.783 5.869 204 HH11 ARG 27 1HH1 ARG 27 2.561 -12.185 5.836 205 HH12 ARG 27 2HH1 ARG 27 3.036 -12.480 7.443 206 HH21 ARG 27 1HH2 ARG 27 4.163 -9.174 8.048 207 HH22 ARG 27 2HH2 ARG 27 3.982 -10.717 8.746 208 H TRP 28 H TRP 28 2.522 -3.966 3.201 209 HA TRP 28 HA TRP 28 -0.213 -3.182 3.658 210 HB2 TRP 28 HB3 TRP 28 0.437 -1.518 5.378 211 HB3 TRP 28 HB2 TRP 28 0.786 -3.146 5.916 212 HD1 TRP 28 HD TRP 28 2.700 -0.129 4.403 213 HE1 TRP 28 1HE TRP 28 5.069 -0.073 5.465 214 HE3 TRP 28 3HE TRP 28 2.452 -4.354 7.232 215 HZ2 TRP 28 2HZ TRP 28 6.590 -1.585 7.226 216 HZ3 TRP 28 3HZ TRP 28 4.414 -4.974 8.586 217 HH2 TRP 28 HH TRP 28 6.441 -3.608 8.571 218 H CYS 29 H CYS 29 -0.357 -0.722 3.313 219 HA CYS 29 HA CYS 29 0.859 -0.229 0.802 220 HB2 CYS 29 HB3 CYS 29 -1.449 0.369 1.144 221 HB3 CYS 29 HB2 CYS 29 -1.014 1.418 2.491 222 H LYS 30 H LYS 30 2.358 1.216 0.280 223 HA LYS 30 HA LYS 30 3.472 3.077 2.232 224 HB2 LYS 30 HB3 LYS 30 5.068 0.994 0.775 225 HB3 LYS 30 HB2 LYS 30 5.750 2.433 1.468 226 HG2 LYS 30 2HG LYS 30 5.352 1.687 3.654 227 HG3 LYS 30 1HG LYS 30 4.182 0.488 3.096 228 HD2 LYS 30 2HD LYS 30 6.330 -0.509 3.776 229 HD3 LYS 30 1HD LYS 30 5.891 -0.837 2.110 230 HE2 LYS 30 2HE LYS 30 7.449 0.904 1.360 231 HE3 LYS 30 1HE LYS 30 7.889 1.231 3.037 232 HZ1 LYS 30 1HZ LYS 30 8.793 -0.930 3.250 233 HZ2 LYS 30 2HZ LYS 30 9.444 -0.301 1.831 234 HZ3 LYS 30 3HZ LYS 30 8.170 -1.432 1.793 235 H TYR 31 H TYR 31 5.091 4.524 1.158 236 HA TYR 31 HA TYR 31 3.830 5.524 -1.208 237 HB2 TYR 31 HB3 TYR 31 4.741 6.974 0.661 238 HB3 TYR 31 HB2 TYR 31 6.355 6.531 0.123 239 HD1 TYR 31 1HD TYR 31 7.225 7.389 -2.026 240 HD2 TYR 31 2HD TYR 31 3.377 8.507 -0.605 241 HE1 TYR 31 1HE TYR 31 7.161 9.212 -3.646 242 HE2 TYR 31 2HE TYR 31 3.297 10.333 -2.216 243 HH TYR 31 HH TYR 31 4.883 11.720 -3.497 244 H ASP 32 H ASP 32 4.289 4.785 -3.126 245 HA ASP 32 HA ASP 32 6.953 4.424 -4.055 246 HB2 ASP 32 HB3 ASP 32 6.407 2.259 -2.967 247 HB3 ASP 32 HB2 ASP 32 5.038 2.097 -4.040 248 H LEU 33 H LEU 33 6.464 5.899 -5.517 249 HA LEU 33 HA LEU 33 4.012 5.783 -6.957 250 HB2 LEU 33 HB3 LEU 33 4.666 7.780 -8.163 251 HB3 LEU 33 HB2 LEU 33 4.933 7.987 -6.460 252 HG LEU 33 HG LEU 33 7.113 7.494 -8.505 253 HD11 LEU 33 HD11 LEU 33 6.060 9.630 -8.868 254 HD12 LEU 33 HD12 LEU 33 7.660 9.861 -8.157 255 HD13 LEU 33 HD13 LEU 33 6.217 10.029 -7.157 256 HD21 LEU 33 HD21 LEU 33 8.630 8.227 -6.705 257 HD22 LEU 33 HD22 LEU 33 7.791 6.737 -6.297 258 HD23 LEU 33 HD23 LEU 33 7.268 8.265 -5.585 259 HN1 NH2 34 HN1 NH2 34 7.330 5.646 -8.178 260 HN2 NH2 34 HN2 NH2 34 6.959 4.551 -9.460 Start of MODEL 17 1 H1 ASP 1 1HT ASP 1 -13.387 8.941 -0.667 2 H2 ASP 1 2HT ASP 1 -13.085 7.929 0.668 3 H3 ASP 1 3HT ASP 1 -13.249 7.262 -0.860 4 HA ASP 1 HA ASP 1 -11.289 8.245 -1.618 5 HB2 ASP 1 HB3 ASP 1 -11.246 9.500 1.111 6 HB3 ASP 1 HB2 ASP 1 -9.745 9.201 0.244 7 H CYS 2 H CYS 2 -9.041 7.629 -0.707 8 HA CYS 2 HA CYS 2 -9.269 4.811 -0.056 9 HB2 CYS 2 HB3 CYS 2 -6.960 4.774 -0.588 10 HB3 CYS 2 HB2 CYS 2 -7.844 5.566 -1.897 11 H LEU 3 H LEU 3 -7.014 4.299 1.121 12 HA LEU 3 HA LEU 3 -7.350 5.227 3.828 13 HB2 LEU 3 HB3 LEU 3 -5.516 3.268 2.571 14 HB3 LEU 3 HB2 LEU 3 -5.842 3.437 4.288 15 HG LEU 3 HG LEU 3 -7.708 2.495 2.153 16 HD11 LEU 3 HD11 LEU 3 -6.402 1.061 4.496 17 HD12 LEU 3 HD12 LEU 3 -5.989 0.854 2.794 18 HD13 LEU 3 HD13 LEU 3 -7.564 0.329 3.391 19 HD21 LEU 3 HD21 LEU 3 -9.277 1.975 4.000 20 HD22 LEU 3 HD22 LEU 3 -8.964 3.700 3.839 21 HD23 LEU 3 HD23 LEU 3 -8.186 2.779 5.125 22 H GLY 4 H GLY 4 -5.705 6.297 4.918 23 HA2 GLY 4 2HA GLY 4 -3.511 7.381 3.438 24 HA3 GLY 4 1HA GLY 4 -3.787 7.506 5.193 25 H TRP 5 H TRP 5 -1.412 6.451 3.516 26 HA TRP 5 HA TRP 5 -1.461 3.757 3.540 27 HB2 TRP 5 HB3 TRP 5 0.679 3.905 2.767 28 HB3 TRP 5 HB2 TRP 5 -0.079 5.369 2.220 29 HD1 TRP 5 HD TRP 5 2.816 4.128 4.237 30 HE1 TRP 5 1HE TRP 5 4.238 6.088 5.022 31 HE3 TRP 5 3HE TRP 5 -0.378 7.930 3.079 32 HZ2 TRP 5 2HZ TRP 5 4.027 8.911 5.177 33 HZ3 TRP 5 3HZ TRP 5 0.309 10.238 3.592 34 HH2 TRP 5 HH TRP 5 2.469 10.707 4.622 35 H PHE 6 H PHE 6 0.466 2.651 4.501 36 HA PHE 6 HA PHE 6 1.517 1.604 6.204 37 HB2 PHE 6 HB3 PHE 6 1.823 3.916 7.253 38 HB3 PHE 6 HB2 PHE 6 0.369 3.613 8.175 39 HD1 PHE 6 1HD PHE 6 0.452 2.356 10.195 40 HD2 PHE 6 2HD PHE 6 3.827 2.458 7.611 41 HE1 PHE 6 1HE PHE 6 1.821 1.309 11.946 42 HE2 PHE 6 2HE PHE 6 5.196 1.406 9.348 43 HZ PHE 6 HZ PHE 6 4.205 0.831 11.519 44 H LYS 7 H LYS 7 -1.526 1.767 5.476 45 HA LYS 7 HA LYS 7 -2.633 0.117 7.551 46 HB2 LYS 7 HB3 LYS 7 -3.751 1.129 4.953 47 HB3 LYS 7 HB2 LYS 7 -4.642 0.292 6.202 48 HG2 LYS 7 2HG LYS 7 -3.207 2.831 6.794 49 HG3 LYS 7 1HG LYS 7 -4.798 2.864 6.064 50 HD2 LYS 7 2HD LYS 7 -4.146 1.422 8.635 51 HD3 LYS 7 1HD LYS 7 -4.727 3.086 8.586 52 HE2 LYS 7 2HE LYS 7 -6.750 2.272 7.364 53 HE3 LYS 7 1HE LYS 7 -6.175 0.625 7.589 54 HZ1 LYS 7 1HZ LYS 7 -6.327 0.968 10.005 55 HZ2 LYS 7 2HZ LYS 7 -7.801 1.198 9.251 56 HZ3 LYS 7 3HZ LYS 7 -6.911 2.528 9.756 57 H SER 8 H SER 8 -3.470 -1.832 7.014 58 HA SER 8 HA SER 8 -1.904 -3.525 5.368 59 HB2 SER 8 HB3 SER 8 -4.514 -4.094 6.759 60 HB3 SER 8 HB2 SER 8 -3.207 -5.212 6.361 61 HG SER 8 HG SER 8 -1.948 -3.575 7.742 62 H CYS 9 H CYS 9 -2.355 -3.970 3.247 63 HA CYS 9 HA CYS 9 -4.978 -3.319 2.275 64 HB2 CYS 9 HB3 CYS 9 -3.801 -2.665 0.174 65 HB3 CYS 9 HB2 CYS 9 -3.603 -1.571 1.526 66 H ASP 10 H ASP 10 -5.034 -4.221 -0.055 67 HA ASP 10 HA ASP 10 -4.063 -7.000 0.011 68 HB2 ASP 10 HB3 ASP 10 -6.571 -6.736 -0.148 69 HB3 ASP 10 HB2 ASP 10 -6.339 -5.852 -1.649 70 HA PRO 11 HA PRO 11 -1.282 -5.296 -2.938 71 HB2 PRO 11 HB3 PRO 11 -0.277 -7.648 -3.919 72 HB3 PRO 11 HB2 PRO 11 0.248 -6.923 -2.392 73 HG2 PRO 11 2HG PRO 11 -1.743 -9.101 -2.885 74 HG3 PRO 11 1HG PRO 11 -0.495 -8.990 -1.631 75 HD2 PRO 11 2HD PRO 11 -3.065 -8.463 -1.113 76 HD3 PRO 11 1HD PRO 11 -1.758 -7.542 -0.334 77 H LYS 12 H LYS 12 -3.817 -7.496 -3.931 78 HA LYS 12 HA LYS 12 -3.378 -6.626 -6.662 79 HB2 LYS 12 HB3 LYS 12 -3.512 -9.092 -5.840 80 HB3 LYS 12 HB2 LYS 12 -5.237 -8.808 -5.850 81 HG2 LYS 12 2HG LYS 12 -4.626 -9.812 -7.938 82 HG3 LYS 12 1HG LYS 12 -5.086 -8.127 -8.221 83 HD2 LYS 12 2HD LYS 12 -2.748 -7.477 -8.153 84 HD3 LYS 12 1HD LYS 12 -2.295 -9.144 -7.885 85 HE2 LYS 12 2HE LYS 12 -3.729 -8.099 -10.344 86 HE3 LYS 12 1HE LYS 12 -2.010 -8.469 -10.267 87 HZ1 LYS 12 1HZ LYS 12 -4.226 -10.428 -9.924 88 HZ2 LYS 12 2HZ LYS 12 -2.605 -10.777 -9.775 89 HZ3 LYS 12 3HZ LYS 12 -3.216 -10.294 -11.264 90 H ASN 13 H ASN 13 -5.193 -6.043 -3.981 91 HA ASN 13 HA ASN 13 -7.103 -4.493 -5.530 92 HB2 ASN 13 HB3 ASN 13 -8.136 -6.751 -5.178 93 HB3 ASN 13 HB2 ASN 13 -8.113 -6.443 -3.452 94 HD21 ASN 13 HD21 ASN 13 -9.516 -5.510 -6.479 95 HD22 ASN 13 HD22 ASN 13 -10.879 -4.681 -5.840 96 H ASP 14 H ASP 14 -5.730 -2.958 -4.634 97 HA ASP 14 HA ASP 14 -5.420 -2.693 -1.803 98 HB2 ASP 14 HB3 ASP 14 -3.584 -2.300 -3.344 99 HB3 ASP 14 HB2 ASP 14 -4.470 -0.972 -4.081 100 H LYS 15 H LYS 15 -6.009 -0.999 -0.578 101 HA LYS 15 HA LYS 15 -8.401 0.461 -1.437 102 HB2 LYS 15 HB3 LYS 15 -7.492 -0.334 1.330 103 HB3 LYS 15 HB2 LYS 15 -8.872 0.688 1.000 104 HG2 LYS 15 2HG LYS 15 -9.799 -1.410 1.427 105 HG3 LYS 15 1HG LYS 15 -9.769 -1.322 -0.331 106 HD2 LYS 15 2HD LYS 15 -7.629 -2.597 -0.295 107 HD3 LYS 15 1HD LYS 15 -7.820 -2.784 1.450 108 HE2 LYS 15 2HE LYS 15 -8.636 -4.762 0.329 109 HE3 LYS 15 1HE LYS 15 -9.989 -3.892 1.056 110 HZ1 LYS 15 1HZ LYS 15 -10.536 -4.593 -1.177 111 HZ2 LYS 15 2HZ LYS 15 -9.199 -3.827 -1.804 112 HZ3 LYS 15 3HZ LYS 15 -10.450 -2.919 -1.153 113 H CYS 16 H CYS 16 -5.121 0.728 -0.679 114 HA CYS 16 HA CYS 16 -5.271 3.437 0.244 115 HB2 CYS 16 HB3 CYS 16 -2.905 1.669 -0.506 116 HB3 CYS 16 HB2 CYS 16 -2.797 3.240 0.287 117 H CYS 17 H CYS 17 -4.459 5.192 -1.060 118 HA CYS 17 HA CYS 17 -5.346 5.125 -3.645 119 HB2 CYS 17 HB3 CYS 17 -3.771 7.072 -2.066 120 HB3 CYS 17 HB2 CYS 17 -3.967 7.310 -3.787 121 H LYS 18 H LYS 18 -4.099 6.050 -5.403 122 HA LYS 18 HA LYS 18 -2.046 4.373 -6.321 123 HB2 LYS 18 HB3 LYS 18 -3.763 5.276 -7.804 124 HB3 LYS 18 HB2 LYS 18 -3.366 6.906 -7.335 125 HG2 LYS 18 2HG LYS 18 -1.328 5.230 -8.758 126 HG3 LYS 18 1HG LYS 18 -2.650 5.950 -9.669 127 HD2 LYS 18 2HD LYS 18 -0.685 7.468 -7.937 128 HD3 LYS 18 1HD LYS 18 -0.583 7.330 -9.690 129 HE2 LYS 18 2HE LYS 18 -2.837 8.643 -8.134 130 HE3 LYS 18 1HE LYS 18 -1.568 9.463 -9.027 131 HZ1 LYS 18 1HZ LYS 18 -3.596 7.663 -10.255 132 HZ2 LYS 18 2HZ LYS 18 -2.395 8.516 -11.069 133 HZ3 LYS 18 3HZ LYS 18 -3.626 9.340 -10.288 134 H ASN 19 H ASN 19 -0.035 5.245 -6.991 135 HA ASN 19 HA ASN 19 1.966 6.312 -6.757 136 HB2 ASN 19 HB3 ASN 19 0.955 8.544 -6.688 137 HB3 ASN 19 HB2 ASN 19 0.460 8.305 -5.022 138 HD21 ASN 19 HD21 ASN 19 1.849 8.849 -3.426 139 HD22 ASN 19 HD22 ASN 19 3.431 9.485 -3.689 140 H TYR 20 H TYR 20 0.089 5.614 -4.043 141 HA TYR 20 HA TYR 20 2.370 4.661 -2.543 142 HB2 TYR 20 HB3 TYR 20 -0.601 4.551 -1.978 143 HB3 TYR 20 HB2 TYR 20 0.682 4.097 -0.878 144 HD1 TYR 20 1HD TYR 20 -1.237 6.862 -2.237 145 HD2 TYR 20 2HD TYR 20 2.181 5.830 0.073 146 HE1 TYR 20 1HE TYR 20 -1.143 9.150 -1.360 147 HE2 TYR 20 2HE TYR 20 2.285 8.109 0.951 148 HH TYR 20 HH TYR 20 1.552 10.314 0.405 149 H THR 21 H THR 21 2.335 2.353 -1.965 150 HA THR 21 HA THR 21 0.659 0.641 -3.571 151 HB THR 21 HB THR 21 3.665 0.437 -3.803 152 HG1 THR 21 1HG THR 21 1.859 1.982 -5.117 153 HG21 THR 21 1HG2 THR 21 1.471 -0.935 -5.381 154 HG22 THR 21 2HG2 THR 21 2.472 -1.686 -4.142 155 HG23 THR 21 3HG2 THR 21 3.203 -1.135 -5.648 156 H CYS 22 H CYS 22 0.711 -1.521 -2.785 157 HA CYS 22 HA CYS 22 1.347 -1.872 -0.067 158 HB2 CYS 22 HB3 CYS 22 0.579 -3.828 -2.205 159 HB3 CYS 22 HB2 CYS 22 0.638 -4.156 -0.488 160 H SER 23 H SER 23 3.039 -2.688 0.745 161 HA SER 23 HA SER 23 5.324 -3.376 -0.892 162 HB2 SER 23 HB3 SER 23 5.651 -1.902 1.010 163 HB3 SER 23 HB2 SER 23 4.863 -3.041 2.092 164 HG SER 23 HG SER 23 7.201 -3.016 2.179 165 H ARG 24 H ARG 24 5.828 -5.568 -1.301 166 HA ARG 24 HA ARG 24 4.163 -7.548 -0.114 167 HB2 ARG 24 HB3 ARG 24 6.343 -7.502 -2.121 168 HB3 ARG 24 HB2 ARG 24 6.002 -9.013 -1.317 169 HG2 ARG 24 2HG ARG 24 4.018 -7.376 -2.894 170 HG3 ARG 24 1HG ARG 24 4.847 -8.820 -3.478 171 HD2 ARG 24 2HD ARG 24 3.820 -10.042 -1.496 172 HD3 ARG 24 1HD ARG 24 2.819 -8.619 -1.252 173 HE ARG 24 HE ARG 24 2.574 -9.340 -3.902 174 HH11 ARG 24 1HH1 ARG 24 1.601 -10.589 -0.711 175 HH12 ARG 24 2HH1 ARG 24 0.389 -11.594 -1.330 176 HH21 ARG 24 1HH2 ARG 24 0.898 -10.743 -4.737 177 HH22 ARG 24 2HH2 ARG 24 -0.016 -11.703 -3.661 178 H ARG 25 H ARG 25 7.148 -6.094 0.448 179 HA ARG 25 HA ARG 25 8.395 -8.070 2.037 180 HB2 ARG 25 HB3 ARG 25 9.525 -6.216 0.863 181 HB3 ARG 25 HB2 ARG 25 8.753 -5.085 1.961 182 HG2 ARG 25 2HG ARG 25 9.885 -6.224 3.820 183 HG3 ARG 25 1HG ARG 25 10.767 -7.187 2.625 184 HD2 ARG 25 2HD ARG 25 10.794 -4.191 2.911 185 HD3 ARG 25 1HD ARG 25 12.125 -5.282 3.285 186 HE ARG 25 HE ARG 25 11.726 -5.840 0.731 187 HH11 ARG 25 1HH1 ARG 25 11.894 -2.647 2.293 188 HH12 ARG 25 2HH1 ARG 25 12.546 -1.874 0.925 189 HH21 ARG 25 1HH2 ARG 25 12.552 -4.763 -1.119 190 HH22 ARG 25 2HH2 ARG 25 12.918 -3.092 -1.073 191 H ASP 26 H ASP 26 6.747 -5.016 2.777 192 HA ASP 26 HA ASP 26 6.732 -5.591 5.629 193 HB2 ASP 26 HB3 ASP 26 5.509 -3.242 4.159 194 HB3 ASP 26 HB2 ASP 26 5.742 -3.373 5.894 195 H ARG 27 H ARG 27 4.522 -5.516 2.947 196 HA ARG 27 HA ARG 27 2.612 -6.276 2.526 197 HB2 ARG 27 HB3 ARG 27 2.637 -7.568 5.249 198 HB3 ARG 27 HB2 ARG 27 1.396 -7.773 4.000 199 HG2 ARG 27 2HG ARG 27 3.003 -8.670 2.450 200 HG3 ARG 27 1HG ARG 27 4.306 -8.403 3.600 201 HD2 ARG 27 2HD ARG 27 3.352 -10.036 5.104 202 HD3 ARG 27 1HD ARG 27 1.966 -10.248 4.036 203 HE ARG 27 HE ARG 27 4.378 -10.717 2.656 204 HH11 ARG 27 1HH1 ARG 27 2.212 -12.246 5.007 205 HH12 ARG 27 2HH1 ARG 27 2.652 -13.835 4.568 206 HH21 ARG 27 1HH2 ARG 27 4.920 -12.906 2.029 207 HH22 ARG 27 2HH2 ARG 27 4.193 -14.224 2.819 208 H TRP 28 H TRP 28 3.019 -3.707 3.792 209 HA TRP 28 HA TRP 28 0.184 -3.125 3.814 210 HB2 TRP 28 HB3 TRP 28 0.527 -1.270 5.485 211 HB3 TRP 28 HB2 TRP 28 0.713 -2.877 6.151 212 HD1 TRP 28 HD TRP 28 2.897 0.143 5.068 213 HE1 TRP 28 1HE TRP 28 5.042 0.115 6.563 214 HE3 TRP 28 3HE TRP 28 2.138 -4.238 7.564 215 HZ2 TRP 28 2HZ TRP 28 6.203 -1.518 8.489 216 HZ3 TRP 28 3HZ TRP 28 3.806 -4.960 9.223 217 HH2 TRP 28 HH TRP 28 5.796 -3.618 9.668 218 H CYS 29 H CYS 29 -0.256 -0.682 3.222 219 HA CYS 29 HA CYS 29 1.256 -0.239 0.893 220 HB2 CYS 29 HB3 CYS 29 -0.423 1.477 0.521 221 HB3 CYS 29 HB2 CYS 29 -1.169 -0.083 0.848 222 H LYS 30 H LYS 30 2.753 1.319 0.564 223 HA LYS 30 HA LYS 30 3.014 3.537 2.451 224 HB2 LYS 30 HB3 LYS 30 5.374 2.030 1.372 225 HB3 LYS 30 HB2 LYS 30 5.339 3.295 2.558 226 HG2 LYS 30 2HG LYS 30 4.385 1.803 4.214 227 HG3 LYS 30 1HG LYS 30 4.286 0.510 3.015 228 HD2 LYS 30 2HD LYS 30 6.804 1.796 4.095 229 HD3 LYS 30 1HD LYS 30 6.244 0.153 4.404 230 HE2 LYS 30 2HE LYS 30 6.460 -0.316 1.957 231 HE3 LYS 30 1HE LYS 30 7.148 1.290 1.750 232 HZ1 LYS 30 1HZ LYS 30 8.278 -0.939 3.317 233 HZ2 LYS 30 2HZ LYS 30 8.930 0.629 3.280 234 HZ3 LYS 30 3HZ LYS 30 8.881 -0.297 1.878 235 H TYR 31 H TYR 31 4.725 5.082 1.358 236 HA TYR 31 HA TYR 31 4.059 5.356 -1.408 237 HB2 TYR 31 HB3 TYR 31 4.547 7.413 -0.203 238 HB3 TYR 31 HB2 TYR 31 6.105 6.788 0.327 239 HD1 TYR 31 1HD TYR 31 8.022 7.379 -0.860 240 HD2 TYR 31 2HD TYR 31 4.256 7.601 -2.828 241 HE1 TYR 31 1HE TYR 31 9.118 8.326 -2.829 242 HE2 TYR 31 2HE TYR 31 5.341 8.558 -4.801 243 HH TYR 31 HH TYR 31 7.412 9.775 -5.387 244 H ASP 32 H ASP 32 4.855 4.069 -2.888 245 HA ASP 32 HA ASP 32 7.631 3.354 -2.768 246 HB2 ASP 32 HB3 ASP 32 6.429 1.439 -1.816 247 HB3 ASP 32 HB2 ASP 32 5.397 1.371 -3.234 248 H LEU 33 H LEU 33 7.937 4.773 -4.278 249 HA LEU 33 HA LEU 33 7.250 3.969 -6.980 250 HB2 LEU 33 HB3 LEU 33 5.571 5.675 -6.452 251 HB3 LEU 33 HB2 LEU 33 6.826 6.782 -5.952 252 HG LEU 33 HG LEU 33 7.662 6.883 -8.269 253 HD11 LEU 33 HD11 LEU 33 6.334 5.954 -10.088 254 HD12 LEU 33 HD12 LEU 33 5.271 5.175 -8.917 255 HD13 LEU 33 HD13 LEU 33 6.964 4.686 -9.037 256 HD21 LEU 33 HD21 LEU 33 6.046 8.516 -7.472 257 HD22 LEU 33 HD22 LEU 33 4.727 7.467 -7.989 258 HD23 LEU 33 HD23 LEU 33 5.812 8.173 -9.187 259 HN1 NH2 34 HN1 NH2 34 8.731 6.910 -5.708 260 HN2 NH2 34 HN2 NH2 34 10.318 6.586 -6.301 Start of MODEL 18 1 H1 ASP 1 1HT ASP 1 -13.222 6.486 -0.352 2 H2 ASP 1 2HT ASP 1 -12.707 7.645 -1.441 3 H3 ASP 1 3HT ASP 1 -13.643 8.109 -0.109 4 HA ASP 1 HA ASP 1 -11.323 8.678 0.196 5 HB2 ASP 1 HB3 ASP 1 -12.178 6.338 1.938 6 HB3 ASP 1 HB2 ASP 1 -10.935 7.508 2.341 7 H CYS 2 H CYS 2 -9.243 7.378 1.074 8 HA CYS 2 HA CYS 2 -8.890 4.949 -0.465 9 HB2 CYS 2 HB3 CYS 2 -6.642 5.666 -1.044 10 HB3 CYS 2 HB2 CYS 2 -7.900 6.523 -1.926 11 H LEU 3 H LEU 3 -6.418 4.313 0.179 12 HA LEU 3 HA LEU 3 -6.815 3.957 3.020 13 HB2 LEU 3 HB3 LEU 3 -4.903 2.492 1.325 14 HB3 LEU 3 HB2 LEU 3 -5.669 2.035 2.805 15 HG LEU 3 HG LEU 3 -7.160 2.253 0.220 16 HD11 LEU 3 HD11 LEU 3 -7.193 -0.242 0.258 17 HD12 LEU 3 HD12 LEU 3 -6.193 -0.221 1.706 18 HD13 LEU 3 HD13 LEU 3 -5.537 0.364 0.181 19 HD21 LEU 3 HD21 LEU 3 -8.935 1.025 1.442 20 HD22 LEU 3 HD22 LEU 3 -8.576 2.597 2.154 21 HD23 LEU 3 HD23 LEU 3 -7.964 1.125 2.911 22 H GLY 4 H GLY 4 -5.578 5.163 4.178 23 HA2 GLY 4 2HA GLY 4 -3.251 6.480 3.256 24 HA3 GLY 4 1HA GLY 4 -3.791 6.366 4.942 25 H TRP 5 H TRP 5 -1.111 5.871 3.724 26 HA TRP 5 HA TRP 5 -0.916 3.146 3.645 27 HB2 TRP 5 HB3 TRP 5 1.132 3.489 2.841 28 HB3 TRP 5 HB2 TRP 5 0.378 4.988 2.441 29 HD1 TRP 5 HD TRP 5 3.262 3.550 4.259 30 HE1 TRP 5 1HE TRP 5 4.769 5.358 5.126 31 HE3 TRP 5 3HE TRP 5 0.100 7.511 3.600 32 HZ2 TRP 5 2HZ TRP 5 4.626 8.203 5.568 33 HZ3 TRP 5 3HZ TRP 5 0.859 9.735 4.296 34 HH2 TRP 5 HH TRP 5 3.076 10.074 5.259 35 H PHE 6 H PHE 6 0.989 2.230 4.820 36 HA PHE 6 HA PHE 6 1.864 1.282 6.618 37 HB2 PHE 6 HB3 PHE 6 2.030 3.603 7.657 38 HB3 PHE 6 HB2 PHE 6 0.495 3.279 8.447 39 HD1 PHE 6 1HD PHE 6 3.901 1.862 8.049 40 HD2 PHE 6 2HD PHE 6 0.508 2.317 10.572 41 HE1 PHE 6 1HE PHE 6 5.128 0.786 9.882 42 HE2 PHE 6 2HE PHE 6 1.735 1.239 12.408 43 HZ PHE 6 HZ PHE 6 4.060 0.468 12.049 44 H LYS 7 H LYS 7 -1.442 1.730 6.093 45 HA LYS 7 HA LYS 7 -2.393 -0.272 7.852 46 HB2 LYS 7 HB3 LYS 7 -3.523 0.788 5.267 47 HB3 LYS 7 HB2 LYS 7 -4.386 -0.131 6.475 48 HG2 LYS 7 2HG LYS 7 -3.213 2.581 6.985 49 HG3 LYS 7 1HG LYS 7 -4.873 2.317 6.472 50 HD2 LYS 7 2HD LYS 7 -5.233 0.948 8.503 51 HD3 LYS 7 1HD LYS 7 -3.574 1.291 9.000 52 HE2 LYS 7 2HE LYS 7 -4.074 3.673 9.063 53 HE3 LYS 7 1HE LYS 7 -5.719 3.352 8.527 54 HZ1 LYS 7 1HZ LYS 7 -6.116 2.127 10.541 55 HZ2 LYS 7 2HZ LYS 7 -5.574 3.669 10.937 56 HZ3 LYS 7 3HZ LYS 7 -4.533 2.348 11.054 57 H SER 8 H SER 8 -2.912 -2.249 7.155 58 HA SER 8 HA SER 8 -0.980 -3.422 5.385 59 HB2 SER 8 HB3 SER 8 -1.671 -4.587 7.473 60 HB3 SER 8 HB2 SER 8 -3.279 -4.812 6.781 61 HG SER 8 HG SER 8 -0.929 -5.770 5.486 62 H CYS 9 H CYS 9 -1.336 -4.478 3.471 63 HA CYS 9 HA CYS 9 -3.795 -3.755 2.163 64 HB2 CYS 9 HB3 CYS 9 -2.317 -3.618 0.123 65 HB3 CYS 9 HB2 CYS 9 -2.139 -2.324 1.294 66 H ASP 10 H ASP 10 -3.660 -5.033 -0.021 67 HA ASP 10 HA ASP 10 -2.823 -7.802 0.449 68 HB2 ASP 10 HB3 ASP 10 -5.312 -7.543 0.736 69 HB3 ASP 10 HB2 ASP 10 -5.385 -6.916 -0.908 70 HA PRO 11 HA PRO 11 -0.735 -6.470 -3.185 71 HB2 PRO 11 HB3 PRO 11 0.309 -8.870 -3.984 72 HB3 PRO 11 HB2 PRO 11 0.977 -7.881 -2.677 73 HG2 PRO 11 2HG PRO 11 -0.808 -10.276 -2.512 74 HG3 PRO 11 1HG PRO 11 0.583 -9.845 -1.502 75 HD2 PRO 11 2HD PRO 11 -1.977 -9.463 -0.711 76 HD3 PRO 11 1HD PRO 11 -0.652 -8.393 -0.209 77 H LYS 12 H LYS 12 -3.150 -9.056 -3.358 78 HA LYS 12 HA LYS 12 -3.145 -8.968 -6.177 79 HB2 LYS 12 HB3 LYS 12 -3.631 -11.010 -4.775 80 HB3 LYS 12 HB2 LYS 12 -5.144 -10.249 -4.329 81 HG2 LYS 12 2HG LYS 12 -5.475 -11.848 -6.129 82 HG3 LYS 12 1HG LYS 12 -5.828 -10.201 -6.675 83 HD2 LYS 12 2HD LYS 12 -3.585 -10.040 -7.577 84 HD3 LYS 12 1HD LYS 12 -3.261 -11.689 -7.073 85 HE2 LYS 12 2HE LYS 12 -5.083 -12.475 -8.566 86 HE3 LYS 12 1HE LYS 12 -5.372 -10.809 -9.058 87 HZ1 LYS 12 1HZ LYS 12 -2.852 -12.313 -9.508 88 HZ2 LYS 12 2HZ LYS 12 -3.154 -10.730 -10.012 89 HZ3 LYS 12 3HZ LYS 12 -4.030 -12.004 -10.670 90 H ASN 13 H ASN 13 -4.706 -7.459 -3.545 91 HA ASN 13 HA ASN 13 -6.432 -5.996 -5.397 92 HB2 ASN 13 HB3 ASN 13 -7.740 -7.925 -4.493 93 HB3 ASN 13 HB2 ASN 13 -7.496 -7.288 -2.879 94 HD21 ASN 13 HD21 ASN 13 -9.910 -7.816 -4.336 95 HD22 ASN 13 HD22 ASN 13 -10.825 -6.364 -4.397 96 H ASP 14 H ASP 14 -4.852 -4.404 -4.950 97 HA ASP 14 HA ASP 14 -5.116 -3.213 -2.296 98 HB2 ASP 14 HB3 ASP 14 -2.863 -3.920 -2.964 99 HB3 ASP 14 HB2 ASP 14 -2.953 -2.866 -4.360 100 H LYS 15 H LYS 15 -5.137 -0.879 -2.231 101 HA LYS 15 HA LYS 15 -6.186 0.363 -4.657 102 HB2 LYS 15 HB3 LYS 15 -8.046 -0.169 -3.190 103 HB3 LYS 15 HB2 LYS 15 -7.251 0.653 -1.859 104 HG2 LYS 15 2HG LYS 15 -7.435 2.772 -3.075 105 HG3 LYS 15 1HG LYS 15 -8.267 1.928 -4.386 106 HD2 LYS 15 2HD LYS 15 -9.966 1.199 -2.810 107 HD3 LYS 15 1HD LYS 15 -9.136 2.090 -1.539 108 HE2 LYS 15 2HE LYS 15 -9.541 4.200 -2.659 109 HE3 LYS 15 1HE LYS 15 -10.213 3.379 -4.062 110 HZ1 LYS 15 1HZ LYS 15 -11.416 3.390 -1.339 111 HZ2 LYS 15 2HZ LYS 15 -12.071 2.657 -2.712 112 HZ3 LYS 15 3HZ LYS 15 -11.909 4.330 -2.640 113 H CYS 16 H CYS 16 -5.234 1.167 -1.369 114 HA CYS 16 HA CYS 16 -4.384 3.048 -0.445 115 HB2 CYS 16 HB3 CYS 16 -2.618 2.406 -2.715 116 HB3 CYS 16 HB2 CYS 16 -2.116 3.596 -1.475 117 H CYS 17 H CYS 17 -3.327 5.308 -1.102 118 HA CYS 17 HA CYS 17 -5.126 6.642 -2.897 119 HB2 CYS 17 HB3 CYS 17 -2.769 7.656 -1.283 120 HB3 CYS 17 HB2 CYS 17 -4.064 8.609 -1.996 121 H LYS 18 H LYS 18 -3.637 8.353 -4.295 122 HA LYS 18 HA LYS 18 -2.097 6.701 -5.984 123 HB2 LYS 18 HB3 LYS 18 -3.457 8.488 -6.953 124 HB3 LYS 18 HB2 LYS 18 -2.587 9.685 -6.011 125 HG2 LYS 18 2HG LYS 18 -1.958 9.704 -8.402 126 HG3 LYS 18 1HG LYS 18 -0.598 9.369 -7.342 127 HD2 LYS 18 2HD LYS 18 -0.538 7.962 -9.342 128 HD3 LYS 18 1HD LYS 18 -0.740 6.981 -7.903 129 HE2 LYS 18 2HE LYS 18 -3.161 6.829 -8.392 130 HE3 LYS 18 1HE LYS 18 -2.898 7.776 -9.858 131 HZ1 LYS 18 1HZ LYS 18 -2.941 5.372 -10.327 132 HZ2 LYS 18 2HZ LYS 18 -1.641 5.143 -9.282 133 HZ3 LYS 18 3HZ LYS 18 -1.431 6.026 -10.672 134 H ASN 19 H ASN 19 -0.021 6.876 -6.363 135 HA ASN 19 HA ASN 19 2.197 7.144 -6.116 136 HB2 ASN 19 HB3 ASN 19 1.520 9.257 -4.065 137 HB3 ASN 19 HB2 ASN 19 3.172 8.754 -4.413 138 HD21 ASN 19 HD21 ASN 19 4.136 9.414 -6.291 139 HD22 ASN 19 HD22 ASN 19 3.423 10.585 -7.343 140 H TYR 20 H TYR 20 0.230 6.540 -3.470 141 HA TYR 20 HA TYR 20 2.264 4.912 -2.213 142 HB2 TYR 20 HB3 TYR 20 -0.597 5.439 -1.431 143 HB3 TYR 20 HB2 TYR 20 0.607 4.592 -0.492 144 HD1 TYR 20 1HD TYR 20 2.537 5.786 0.482 145 HD2 TYR 20 2HD TYR 20 -0.608 7.905 -1.437 146 HE1 TYR 20 1HE TYR 20 3.319 7.866 1.507 147 HE2 TYR 20 2HE TYR 20 0.159 9.987 -0.419 148 HH TYR 20 HH TYR 20 1.517 10.643 1.660 149 H THR 21 H THR 21 1.864 2.698 -1.893 150 HA THR 21 HA THR 21 -0.255 1.296 -3.210 151 HB THR 21 HB THR 21 2.553 0.940 -4.327 152 HG1 THR 21 1HG THR 21 0.663 2.691 -4.982 153 HG21 THR 21 1HG2 THR 21 -0.065 -0.279 -5.238 154 HG22 THR 21 2HG2 THR 21 1.232 -1.122 -4.394 155 HG23 THR 21 3HG2 THR 21 1.497 -0.507 -6.025 156 H CYS 22 H CYS 22 -0.162 -0.923 -2.689 157 HA CYS 22 HA CYS 22 0.754 -1.717 -0.231 158 HB2 CYS 22 HB3 CYS 22 -0.941 -2.852 -1.538 159 HB3 CYS 22 HB2 CYS 22 0.301 -3.508 -2.622 160 H SER 23 H SER 23 2.529 -2.454 0.513 161 HA SER 23 HA SER 23 4.785 -2.862 -1.286 162 HB2 SER 23 HB3 SER 23 5.235 -1.375 0.622 163 HB3 SER 23 HB2 SER 23 4.630 -2.581 1.742 164 HG SER 23 HG SER 23 6.891 -2.591 1.668 165 H ARG 24 H ARG 24 5.112 -4.913 -1.883 166 HA ARG 24 HA ARG 24 3.695 -7.064 -0.600 167 HB2 ARG 24 HB3 ARG 24 4.743 -6.677 -3.117 168 HB3 ARG 24 HB2 ARG 24 5.933 -7.748 -2.405 169 HG2 ARG 24 2HG ARG 24 2.987 -8.286 -2.755 170 HG3 ARG 24 1HG ARG 24 4.312 -9.030 -3.636 171 HD2 ARG 24 2HD ARG 24 5.090 -10.068 -1.526 172 HD3 ARG 24 1HD ARG 24 3.720 -9.344 -0.689 173 HE ARG 24 HE ARG 24 2.860 -10.826 -2.931 174 HH11 ARG 24 1HH1 ARG 24 4.068 -11.326 0.361 175 HH12 ARG 24 2HH1 ARG 24 3.247 -12.797 0.577 176 HH21 ARG 24 1HH2 ARG 24 1.730 -12.882 -2.612 177 HH22 ARG 24 2HH2 ARG 24 1.888 -13.698 -1.132 178 H ARG 25 H ARG 25 6.699 -5.551 -0.469 179 HA ARG 25 HA ARG 25 8.363 -7.425 0.794 180 HB2 ARG 25 HB3 ARG 25 9.086 -5.406 -0.358 181 HB3 ARG 25 HB2 ARG 25 8.263 -4.424 0.828 182 HG2 ARG 25 2HG ARG 25 9.765 -5.339 2.549 183 HG3 ARG 25 1HG ARG 25 10.666 -6.146 1.250 184 HD2 ARG 25 2HD ARG 25 11.699 -3.985 1.825 185 HD3 ARG 25 1HD ARG 25 11.069 -3.984 0.177 186 HE ARG 25 HE ARG 25 9.335 -2.950 2.286 187 HH11 ARG 25 1HH1 ARG 25 11.485 -2.134 -0.417 188 HH12 ARG 25 2HH1 ARG 25 10.811 -0.585 -0.624 189 HH21 ARG 25 1HH2 ARG 25 8.452 -0.938 1.986 190 HH22 ARG 25 2HH2 ARG 25 9.023 0.155 0.786 191 H ASP 26 H ASP 26 6.436 -4.738 2.000 192 HA ASP 26 HA ASP 26 6.951 -5.477 4.777 193 HB2 ASP 26 HB3 ASP 26 5.392 -3.155 3.642 194 HB3 ASP 26 HB2 ASP 26 5.707 -3.415 5.348 195 H ARG 27 H ARG 27 4.356 -5.604 2.470 196 HA ARG 27 HA ARG 27 2.441 -6.467 2.359 197 HB2 ARG 27 HB3 ARG 27 2.848 -7.551 5.143 198 HB3 ARG 27 HB2 ARG 27 1.453 -7.858 4.096 199 HG2 ARG 27 2HG ARG 27 2.969 -8.868 2.429 200 HG3 ARG 27 1HG ARG 27 4.305 -8.661 3.562 201 HD2 ARG 27 2HD ARG 27 3.454 -10.935 3.680 202 HD3 ARG 27 1HD ARG 27 3.115 -10.080 5.185 203 HE ARG 27 HE ARG 27 0.931 -9.784 3.474 204 HH11 ARG 27 1HH1 ARG 27 2.489 -12.387 5.353 205 HH12 ARG 27 2HH1 ARG 27 1.042 -13.234 5.600 206 HH21 ARG 27 1HH2 ARG 27 -1.033 -11.001 3.831 207 HH22 ARG 27 2HH2 ARG 27 -0.992 -12.453 4.709 208 H TRP 28 H TRP 28 3.138 -3.872 3.654 209 HA TRP 28 HA TRP 28 0.384 -3.205 3.864 210 HB2 TRP 28 HB3 TRP 28 0.837 -1.471 5.663 211 HB3 TRP 28 HB2 TRP 28 0.842 -3.136 6.186 212 HD1 TRP 28 HD TRP 28 3.255 -0.189 5.609 213 HE1 TRP 28 1HE TRP 28 5.305 -0.590 7.212 214 HE3 TRP 28 3HE TRP 28 2.139 -4.862 7.307 215 HZ2 TRP 28 2HZ TRP 28 6.284 -2.587 8.854 216 HZ3 TRP 28 3HZ TRP 28 3.679 -5.950 8.884 217 HH2 TRP 28 HH TRP 28 5.705 -4.832 9.637 218 H CYS 29 H CYS 29 -0.031 -0.877 3.540 219 HA CYS 29 HA CYS 29 1.160 -0.275 1.060 220 HB2 CYS 29 HB3 CYS 29 -1.222 0.071 1.584 221 HB3 CYS 29 HB2 CYS 29 -0.761 1.319 2.738 222 H LYS 30 H LYS 30 2.570 1.267 0.559 223 HA LYS 30 HA LYS 30 3.379 3.289 2.425 224 HB2 LYS 30 HB3 LYS 30 5.274 1.197 1.377 225 HB3 LYS 30 HB2 LYS 30 5.811 2.776 1.874 226 HG2 LYS 30 2HG LYS 30 4.973 2.272 4.164 227 HG3 LYS 30 1HG LYS 30 4.493 0.671 3.594 228 HD2 LYS 30 2HD LYS 30 6.792 0.092 3.127 229 HD3 LYS 30 1HD LYS 30 7.324 1.731 3.515 230 HE2 LYS 30 2HE LYS 30 6.599 1.441 5.817 231 HE3 LYS 30 1HE LYS 30 5.991 -0.166 5.441 232 HZ1 LYS 30 1HZ LYS 30 8.150 -0.163 6.561 233 HZ2 LYS 30 2HZ LYS 30 8.880 0.595 5.242 234 HZ3 LYS 30 3HZ LYS 30 8.217 -0.945 5.091 235 H TYR 31 H TYR 31 5.228 4.578 1.254 236 HA TYR 31 HA TYR 31 4.047 5.650 -1.107 237 HB2 TYR 31 HB3 TYR 31 5.257 6.984 0.610 238 HB3 TYR 31 HB2 TYR 31 6.734 6.138 0.196 239 HD1 TYR 31 1HD TYR 31 8.187 7.114 -1.314 240 HD2 TYR 31 2HD TYR 31 4.092 8.252 -1.356 241 HE1 TYR 31 1HE TYR 31 8.700 8.856 -2.942 242 HE2 TYR 31 2HE TYR 31 4.587 9.998 -2.990 243 HH TYR 31 HH TYR 31 6.505 11.321 -3.650 244 H ASP 32 H ASP 32 4.293 4.747 -3.047 245 HA ASP 32 HA ASP 32 6.628 3.006 -3.453 246 HB2 ASP 32 HB3 ASP 32 4.476 1.825 -3.557 247 HB3 ASP 32 HB2 ASP 32 3.951 2.879 -4.859 248 H LEU 33 H LEU 33 4.648 5.350 -5.030 249 HA LEU 33 HA LEU 33 6.657 5.641 -7.164 250 HB2 LEU 33 HB3 LEU 33 3.912 6.900 -6.983 251 HB3 LEU 33 HB2 LEU 33 5.033 7.120 -8.293 252 HG LEU 33 HG LEU 33 3.391 5.668 -9.079 253 HD11 LEU 33 HD11 LEU 33 5.753 3.987 -8.347 254 HD12 LEU 33 HD12 LEU 33 5.586 5.035 -9.755 255 HD13 LEU 33 HD13 LEU 33 4.564 3.609 -9.593 256 HD21 LEU 33 HD21 LEU 33 3.764 3.948 -6.632 257 HD22 LEU 33 HD22 LEU 33 2.673 3.606 -7.980 258 HD23 LEU 33 HD23 LEU 33 2.391 5.005 -6.949 259 HN1 NH2 34 HN1 NH2 34 8.216 6.719 -5.998 260 HN2 NH2 34 HN2 NH2 34 8.029 8.356 -5.492 Start of MODEL 19 1 H1 ASP 1 1HT ASP 1 -11.466 9.323 1.016 2 H2 ASP 1 2HT ASP 1 -12.725 9.513 -0.090 3 H3 ASP 1 3HT ASP 1 -11.107 9.690 -0.573 4 HA ASP 1 HA ASP 1 -12.257 7.208 0.468 5 HB2 ASP 1 HB3 ASP 1 -11.810 8.143 -2.352 6 HB3 ASP 1 HB2 ASP 1 -11.808 6.432 -1.952 7 H CYS 2 H CYS 2 -10.857 5.366 -0.288 8 HA CYS 2 HA CYS 2 -9.149 4.204 0.079 9 HB2 CYS 2 HB3 CYS 2 -7.049 4.759 -0.992 10 HB3 CYS 2 HB2 CYS 2 -8.401 4.662 -2.083 11 H LEU 3 H LEU 3 -6.832 3.944 0.787 12 HA LEU 3 HA LEU 3 -6.754 5.024 3.468 13 HB2 LEU 3 HB3 LEU 3 -5.008 2.956 2.218 14 HB3 LEU 3 HB2 LEU 3 -5.434 3.184 3.896 15 HG LEU 3 HG LEU 3 -7.342 2.315 1.774 16 HD11 LEU 3 HD11 LEU 3 -5.793 0.665 3.807 17 HD12 LEU 3 HD12 LEU 3 -5.625 0.621 2.045 18 HD13 LEU 3 HD13 LEU 3 -7.101 0.043 2.797 19 HD21 LEU 3 HD21 LEU 3 -7.560 2.292 4.789 20 HD22 LEU 3 HD22 LEU 3 -8.753 1.624 3.671 21 HD23 LEU 3 HD23 LEU 3 -8.429 3.357 3.681 22 H GLY 4 H GLY 4 -4.744 5.798 4.319 23 HA2 GLY 4 2HA GLY 4 -2.819 6.868 2.438 24 HA3 GLY 4 1HA GLY 4 -2.808 7.066 4.199 25 H TRP 5 H TRP 5 -0.358 6.223 3.417 26 HA TRP 5 HA TRP 5 -0.544 3.482 3.035 27 HB2 TRP 5 HB3 TRP 5 1.560 3.570 2.339 28 HB3 TRP 5 HB2 TRP 5 1.059 5.179 1.976 29 HD1 TRP 5 HD TRP 5 3.404 3.251 4.274 30 HE1 TRP 5 1HE TRP 5 5.165 4.783 5.152 31 HE3 TRP 5 3HE TRP 5 1.412 7.605 2.641 32 HZ2 TRP 5 2HZ TRP 5 5.676 7.624 5.211 33 HZ3 TRP 5 3HZ TRP 5 2.566 9.707 3.148 34 HH2 TRP 5 HH TRP 5 4.674 9.714 4.416 35 H PHE 6 H PHE 6 1.248 2.319 4.278 36 HA PHE 6 HA PHE 6 1.917 1.226 6.008 37 HB2 PHE 6 HB3 PHE 6 2.425 3.534 7.059 38 HB3 PHE 6 HB2 PHE 6 0.940 3.306 7.979 39 HD1 PHE 6 1HD PHE 6 0.872 1.830 9.851 40 HD2 PHE 6 2HD PHE 6 4.279 1.935 7.317 41 HE1 PHE 6 1HE PHE 6 2.096 0.423 11.442 42 HE2 PHE 6 2HE PHE 6 5.506 0.532 8.898 43 HZ PHE 6 HZ PHE 6 4.426 -0.234 10.954 44 H LYS 7 H LYS 7 -1.319 2.173 5.646 45 HA LYS 7 HA LYS 7 -2.432 0.328 7.444 46 HB2 LYS 7 HB3 LYS 7 -3.469 1.456 4.865 47 HB3 LYS 7 HB2 LYS 7 -4.406 0.591 6.049 48 HG2 LYS 7 2HG LYS 7 -3.015 3.167 6.680 49 HG3 LYS 7 1HG LYS 7 -4.687 3.077 6.134 50 HD2 LYS 7 2HD LYS 7 -5.121 1.519 8.068 51 HD3 LYS 7 1HD LYS 7 -3.489 1.866 8.631 52 HE2 LYS 7 2HE LYS 7 -5.692 3.876 8.245 53 HE3 LYS 7 1HE LYS 7 -5.179 3.209 9.786 54 HZ1 LYS 7 1HZ LYS 7 -3.025 4.233 9.490 55 HZ2 LYS 7 2HZ LYS 7 -4.240 5.387 9.395 56 HZ3 LYS 7 3HZ LYS 7 -3.476 4.868 7.992 57 H SER 8 H SER 8 -3.139 -1.577 6.922 58 HA SER 8 HA SER 8 -1.477 -3.042 5.088 59 HB2 SER 8 HB3 SER 8 -2.025 -3.953 7.351 60 HB3 SER 8 HB2 SER 8 -3.693 -4.177 6.818 61 HG SER 8 HG SER 8 -1.452 -5.310 5.493 62 H CYS 9 H CYS 9 -2.302 -4.510 3.464 63 HA CYS 9 HA CYS 9 -4.822 -3.847 2.339 64 HB2 CYS 9 HB3 CYS 9 -3.578 -3.250 0.222 65 HB3 CYS 9 HB2 CYS 9 -3.621 -2.028 1.489 66 H ASP 10 H ASP 10 -4.725 -4.914 0.106 67 HA ASP 10 HA ASP 10 -3.176 -7.407 0.182 68 HB2 ASP 10 HB3 ASP 10 -5.735 -7.603 0.326 69 HB3 ASP 10 HB2 ASP 10 -5.761 -6.945 -1.308 70 HA PRO 11 HA PRO 11 -1.244 -5.146 -3.068 71 HB2 PRO 11 HB3 PRO 11 0.244 -7.220 -4.106 72 HB3 PRO 11 HB2 PRO 11 0.720 -6.223 -2.730 73 HG2 PRO 11 2HG PRO 11 -0.491 -8.944 -2.764 74 HG3 PRO 11 1HG PRO 11 0.717 -8.248 -1.666 75 HD2 PRO 11 2HD PRO 11 -1.882 -8.583 -1.000 76 HD3 PRO 11 1HD PRO 11 -0.870 -7.286 -0.332 77 H LYS 12 H LYS 12 -3.151 -8.015 -3.652 78 HA LYS 12 HA LYS 12 -3.153 -7.782 -6.465 79 HB2 LYS 12 HB3 LYS 12 -3.682 -9.807 -4.856 80 HB3 LYS 12 HB2 LYS 12 -5.297 -9.128 -4.872 81 HG2 LYS 12 2HG LYS 12 -5.179 -10.847 -6.509 82 HG3 LYS 12 1HG LYS 12 -5.284 -9.293 -7.345 83 HD2 LYS 12 2HD LYS 12 -3.557 -10.517 -8.474 84 HD3 LYS 12 1HD LYS 12 -2.797 -9.309 -7.422 85 HE2 LYS 12 2HE LYS 12 -2.332 -10.976 -5.735 86 HE3 LYS 12 1HE LYS 12 -3.112 -12.212 -6.713 87 HZ1 LYS 12 1HZ LYS 12 -0.687 -12.217 -6.895 88 HZ2 LYS 12 2HZ LYS 12 -0.718 -10.663 -7.519 89 HZ3 LYS 12 3HZ LYS 12 -1.411 -11.938 -8.389 90 H ASN 13 H ASN 13 -4.916 -6.407 -3.814 91 HA ASN 13 HA ASN 13 -6.453 -4.823 -5.696 92 HB2 ASN 13 HB3 ASN 13 -7.929 -6.684 -4.973 93 HB3 ASN 13 HB2 ASN 13 -7.691 -6.199 -3.301 94 HD21 ASN 13 HD21 ASN 13 -9.205 -5.373 -6.313 95 HD22 ASN 13 HD22 ASN 13 -10.266 -4.179 -5.682 96 H ASP 14 H ASP 14 -4.946 -3.299 -5.174 97 HA ASP 14 HA ASP 14 -4.225 -2.378 -2.621 98 HB2 ASP 14 HB3 ASP 14 -3.096 -1.916 -4.779 99 HB3 ASP 14 HB2 ASP 14 -4.414 -0.772 -5.128 100 H LYS 15 H LYS 15 -5.034 -0.871 -1.379 101 HA LYS 15 HA LYS 15 -7.684 0.244 -2.025 102 HB2 LYS 15 HB3 LYS 15 -6.637 -0.958 0.507 103 HB3 LYS 15 HB2 LYS 15 -8.016 0.123 0.501 104 HG2 LYS 15 2HG LYS 15 -7.879 -2.402 -1.123 105 HG3 LYS 15 1HG LYS 15 -8.533 -2.340 0.513 106 HD2 LYS 15 2HD LYS 15 -10.166 -0.642 -0.244 107 HD3 LYS 15 1HD LYS 15 -9.537 -0.805 -1.884 108 HE2 LYS 15 2HE LYS 15 -10.200 -3.108 -1.962 109 HE3 LYS 15 1HE LYS 15 -10.709 -3.063 -0.275 110 HZ1 LYS 15 1HZ LYS 15 -12.553 -2.896 -1.815 111 HZ2 LYS 15 2HZ LYS 15 -11.918 -1.462 -2.460 112 HZ3 LYS 15 3HZ LYS 15 -12.433 -1.513 -0.859 113 H CYS 16 H CYS 16 -4.637 1.169 -1.797 114 HA CYS 16 HA CYS 16 -5.109 3.342 0.060 115 HB2 CYS 16 HB3 CYS 16 -2.555 2.274 -1.135 116 HB3 CYS 16 HB2 CYS 16 -2.666 3.611 0.013 117 H CYS 17 H CYS 17 -4.235 5.474 -0.599 118 HA CYS 17 HA CYS 17 -5.361 6.120 -3.030 119 HB2 CYS 17 HB3 CYS 17 -3.766 7.691 -1.029 120 HB3 CYS 17 HB2 CYS 17 -4.622 8.381 -2.404 121 H LYS 18 H LYS 18 -3.972 7.866 -4.309 122 HA LYS 18 HA LYS 18 -2.098 6.471 -5.786 123 HB2 LYS 18 HB3 LYS 18 -3.673 8.282 -6.579 124 HB3 LYS 18 HB2 LYS 18 -2.652 9.441 -5.762 125 HG2 LYS 18 2HG LYS 18 -2.236 9.360 -8.185 126 HG3 LYS 18 1HG LYS 18 -0.808 8.943 -7.242 127 HD2 LYS 18 2HD LYS 18 -1.107 7.460 -9.198 128 HD3 LYS 18 1HD LYS 18 -1.163 6.578 -7.680 129 HE2 LYS 18 2HE LYS 18 -3.652 6.616 -7.812 130 HE3 LYS 18 1HE LYS 18 -3.515 7.413 -9.380 131 HZ1 LYS 18 1HZ LYS 18 -2.397 5.476 -10.239 132 HZ2 LYS 18 2HZ LYS 18 -3.868 5.020 -9.561 133 HZ3 LYS 18 3HZ LYS 18 -2.439 4.727 -8.724 134 H ASN 19 H ASN 19 -0.002 7.105 -6.156 135 HA ASN 19 HA ASN 19 2.160 7.584 -5.739 136 HB2 ASN 19 HB3 ASN 19 1.204 9.229 -3.374 137 HB3 ASN 19 HB2 ASN 19 2.878 9.127 -3.917 138 HD21 ASN 19 HD21 ASN 19 1.271 11.502 -3.678 139 HD22 ASN 19 HD22 ASN 19 1.114 12.180 -5.242 140 H TYR 20 H TYR 20 0.198 6.507 -3.212 141 HA TYR 20 HA TYR 20 2.306 5.016 -1.927 142 HB2 TYR 20 HB3 TYR 20 -0.661 4.765 -1.455 143 HB3 TYR 20 HB2 TYR 20 0.668 4.441 -0.357 144 HD1 TYR 20 1HD TYR 20 2.222 6.934 -0.439 145 HD2 TYR 20 2HD TYR 20 -1.986 6.351 -0.456 146 HE1 TYR 20 1HE TYR 20 1.911 9.164 0.531 147 HE2 TYR 20 2HE TYR 20 -2.302 8.585 0.513 148 HH TYR 20 HH TYR 20 0.168 10.881 0.635 149 H THR 21 H THR 21 2.144 2.675 -1.903 150 HA THR 21 HA THR 21 0.218 1.415 -3.660 151 HB THR 21 HB THR 21 3.160 0.891 -3.992 152 HG1 THR 21 1HG THR 21 1.597 2.842 -4.991 153 HG21 THR 21 1HG2 THR 21 0.790 0.039 -5.675 154 HG22 THR 21 2HG2 THR 21 1.726 -0.994 -4.598 155 HG23 THR 21 3HG2 THR 21 2.477 -0.320 -6.044 156 H CYS 22 H CYS 22 -0.122 -0.613 -3.064 157 HA CYS 22 HA CYS 22 0.559 -1.415 -0.446 158 HB2 CYS 22 HB3 CYS 22 -1.533 -1.951 -1.514 159 HB3 CYS 22 HB2 CYS 22 -0.696 -3.034 -2.646 160 H SER 23 H SER 23 1.998 -2.759 0.266 161 HA SER 23 HA SER 23 3.997 -3.776 -1.612 162 HB2 SER 23 HB3 SER 23 4.904 -2.296 0.100 163 HB3 SER 23 HB2 SER 23 4.113 -3.223 1.367 164 HG SER 23 HG SER 23 6.353 -3.671 1.144 165 H ARG 24 H ARG 24 4.301 -5.946 -1.802 166 HA ARG 24 HA ARG 24 2.479 -7.690 -0.355 167 HB2 ARG 24 HB3 ARG 24 3.126 -7.875 -2.875 168 HB3 ARG 24 HB2 ARG 24 4.644 -8.526 -2.305 169 HG2 ARG 24 2HG ARG 24 1.911 -9.782 -1.859 170 HG3 ARG 24 1HG ARG 24 3.080 -10.282 -3.064 171 HD2 ARG 24 2HD ARG 24 4.646 -10.805 -1.175 172 HD3 ARG 24 1HD ARG 24 3.316 -10.425 -0.079 173 HE ARG 24 HE ARG 24 2.172 -12.245 -1.611 174 HH11 ARG 24 1HH1 ARG 24 5.393 -12.304 -0.084 175 HH12 ARG 24 2HH1 ARG 24 5.404 -14.000 0.082 176 HH21 ARG 24 1HH2 ARG 24 2.260 -14.590 -1.367 177 HH22 ARG 24 2HH2 ARG 24 3.617 -15.301 -0.630 178 H ARG 25 H ARG 25 5.720 -6.673 -0.439 179 HA ARG 25 HA ARG 25 6.992 -8.662 1.075 180 HB2 ARG 25 HB3 ARG 25 8.127 -6.937 -0.296 181 HB3 ARG 25 HB2 ARG 25 7.608 -5.714 0.857 182 HG2 ARG 25 2HG ARG 25 8.820 -6.997 2.596 183 HG3 ARG 25 1HG ARG 25 9.505 -7.976 1.289 184 HD2 ARG 25 2HD ARG 25 11.074 -6.237 1.853 185 HD3 ARG 25 1HD ARG 25 10.380 -5.874 0.271 186 HE ARG 25 HE ARG 25 8.803 -4.540 2.102 187 HH11 ARG 25 1HH1 ARG 25 12.224 -4.374 1.158 188 HH12 ARG 25 2HH1 ARG 25 12.399 -2.768 1.690 189 HH21 ARG 25 1HH2 ARG 25 9.045 -2.473 2.803 190 HH22 ARG 25 2HH2 ARG 25 10.527 -1.606 2.618 191 H ASP 26 H ASP 26 5.807 -5.454 1.941 192 HA ASP 26 HA ASP 26 6.143 -5.942 4.780 193 HB2 ASP 26 HB3 ASP 26 4.962 -3.536 3.362 194 HB3 ASP 26 HB2 ASP 26 5.415 -3.616 5.056 195 H ARG 27 H ARG 27 3.633 -5.999 2.409 196 HA ARG 27 HA ARG 27 1.565 -6.489 2.319 197 HB2 ARG 27 HB3 ARG 27 1.829 -7.564 5.138 198 HB3 ARG 27 HB2 ARG 27 0.459 -7.789 4.023 199 HG2 ARG 27 2HG ARG 27 1.905 -8.914 2.457 200 HG3 ARG 27 1HG ARG 27 3.255 -8.735 3.574 201 HD2 ARG 27 2HD ARG 27 2.041 -10.074 5.232 202 HD3 ARG 27 1HD ARG 27 0.710 -10.265 4.086 203 HE ARG 27 HE ARG 27 3.326 -11.065 3.170 204 HH11 ARG 27 1HH1 ARG 27 0.248 -12.168 4.550 205 HH12 ARG 27 2HH1 ARG 27 0.478 -13.787 4.108 206 HH21 ARG 27 1HH2 ARG 27 3.608 -13.245 2.515 207 HH22 ARG 27 2HH2 ARG 27 2.439 -14.430 2.880 208 H TRP 28 H TRP 28 2.531 -3.965 3.375 209 HA TRP 28 HA TRP 28 -0.105 -2.884 3.687 210 HB2 TRP 28 HB3 TRP 28 0.611 -1.253 5.407 211 HB3 TRP 28 HB2 TRP 28 0.686 -2.888 6.018 212 HD1 TRP 28 HD TRP 28 3.157 -0.227 4.598 213 HE1 TRP 28 1HE TRP 28 5.369 -0.436 5.942 214 HE3 TRP 28 3HE TRP 28 1.969 -4.210 7.570 215 HZ2 TRP 28 2HZ TRP 28 6.440 -2.046 7.953 216 HZ3 TRP 28 3HZ TRP 28 3.641 -5.013 9.186 217 HH2 TRP 28 HH TRP 28 5.837 -3.942 9.363 218 H CYS 29 H CYS 29 -0.084 -0.533 3.169 219 HA CYS 29 HA CYS 29 1.346 -0.229 0.775 220 HB2 CYS 29 HB3 CYS 29 -0.483 1.452 2.393 221 HB3 CYS 29 HB2 CYS 29 0.178 1.967 0.843 222 H LYS 30 H LYS 30 2.956 1.178 0.346 223 HA LYS 30 HA LYS 30 3.807 2.985 2.441 224 HB2 LYS 30 HB3 LYS 30 5.630 1.202 0.831 225 HB3 LYS 30 HB2 LYS 30 6.153 2.601 1.723 226 HG2 LYS 30 2HG LYS 30 5.482 1.561 3.819 227 HG3 LYS 30 1HG LYS 30 4.845 0.172 2.942 228 HD2 LYS 30 2HD LYS 30 7.072 -0.276 3.898 229 HD3 LYS 30 1HD LYS 30 7.059 -0.390 2.143 230 HE2 LYS 30 2HE LYS 30 9.054 0.769 2.910 231 HE3 LYS 30 1HE LYS 30 8.037 1.851 1.979 232 HZ1 LYS 30 1HZ LYS 30 7.259 2.850 4.079 233 HZ2 LYS 30 2HZ LYS 30 8.926 2.923 3.953 234 HZ3 LYS 30 3HZ LYS 30 8.214 1.765 4.946 235 H TYR 31 H TYR 31 5.416 4.587 1.386 236 HA TYR 31 HA TYR 31 4.030 5.663 -0.875 237 HB2 TYR 31 HB3 TYR 31 5.005 7.119 0.943 238 HB3 TYR 31 HB2 TYR 31 6.608 6.609 0.431 239 HD1 TYR 31 1HD TYR 31 3.813 8.809 -0.244 240 HD2 TYR 31 2HD TYR 31 7.460 7.308 -1.830 241 HE1 TYR 31 1HE TYR 31 3.833 10.614 -1.900 242 HE2 TYR 31 2HE TYR 31 7.494 9.110 -3.482 243 HH TYR 31 HH TYR 31 5.777 10.526 -4.592 244 H ASP 32 H ASP 32 4.522 5.177 -2.885 245 HA ASP 32 HA ASP 32 7.035 3.753 -3.354 246 HB2 ASP 32 HB3 ASP 32 5.039 2.491 -3.996 247 HB3 ASP 32 HB2 ASP 32 4.506 3.822 -5.012 248 H LEU 33 H LEU 33 4.964 5.694 -5.309 249 HA LEU 33 HA LEU 33 6.998 7.702 -5.721 250 HB2 LEU 33 HB3 LEU 33 6.049 5.971 -8.017 251 HB3 LEU 33 HB2 LEU 33 6.776 7.542 -8.255 252 HG LEU 33 HG LEU 33 8.155 5.173 -6.980 253 HD11 LEU 33 HD11 LEU 33 8.485 6.389 -9.716 254 HD12 LEU 33 HD12 LEU 33 7.714 4.841 -9.371 255 HD13 LEU 33 HD13 LEU 33 9.435 5.062 -9.047 256 HD21 LEU 33 HD21 LEU 33 10.177 6.558 -7.256 257 HD22 LEU 33 HD22 LEU 33 9.019 7.275 -6.143 258 HD23 LEU 33 HD23 LEU 33 9.162 7.898 -7.788 259 HN1 NH2 34 HN1 NH2 34 4.268 6.794 -7.714 260 HN2 NH2 34 HN2 NH2 34 3.329 8.211 -7.379 Start of MODEL 20 1 H1 ASP 1 1HT ASP 1 -13.888 6.087 -0.505 2 H2 ASP 1 2HT ASP 1 -13.068 4.841 0.304 3 H3 ASP 1 3HT ASP 1 -12.881 5.028 -1.343 4 HA ASP 1 HA ASP 1 -11.766 7.110 -1.089 5 HB2 ASP 1 HB3 ASP 1 -12.097 6.554 1.867 6 HB3 ASP 1 HB2 ASP 1 -11.100 7.831 1.186 7 H CYS 2 H CYS 2 -9.451 7.184 -0.578 8 HA CYS 2 HA CYS 2 -8.488 4.470 -0.478 9 HB2 CYS 2 HB3 CYS 2 -6.355 5.379 -1.053 10 HB3 CYS 2 HB2 CYS 2 -7.569 5.646 -2.293 11 H LEU 3 H LEU 3 -6.269 4.311 0.557 12 HA LEU 3 HA LEU 3 -6.842 4.786 3.349 13 HB2 LEU 3 HB3 LEU 3 -4.799 3.113 2.037 14 HB3 LEU 3 HB2 LEU 3 -5.395 2.994 3.681 15 HG LEU 3 HG LEU 3 -6.961 2.461 1.199 16 HD11 LEU 3 HD11 LEU 3 -5.264 0.722 1.598 17 HD12 LEU 3 HD12 LEU 3 -6.858 0.059 1.966 18 HD13 LEU 3 HD13 LEU 3 -5.790 0.563 3.273 19 HD21 LEU 3 HD21 LEU 3 -8.397 3.245 2.993 20 HD22 LEU 3 HD22 LEU 3 -7.717 2.054 4.103 21 HD23 LEU 3 HD23 LEU 3 -8.682 1.528 2.722 22 H GLY 4 H GLY 4 -5.551 5.951 4.590 23 HA2 GLY 4 2HA GLY 4 -3.092 7.112 3.671 24 HA3 GLY 4 1HA GLY 4 -3.731 7.139 5.337 25 H TRP 5 H TRP 5 -1.097 6.054 3.947 26 HA TRP 5 HA TRP 5 -1.334 3.396 3.916 27 HB2 TRP 5 HB3 TRP 5 0.791 3.402 3.175 28 HB3 TRP 5 HB2 TRP 5 0.236 4.991 2.763 29 HD1 TRP 5 HD TRP 5 2.824 3.182 4.647 30 HE1 TRP 5 1HE TRP 5 4.540 4.774 5.595 31 HE3 TRP 5 3HE TRP 5 0.327 7.543 3.837 32 HZ2 TRP 5 2HZ TRP 5 4.814 7.584 6.006 33 HZ3 TRP 5 3HZ TRP 5 1.383 9.653 4.549 34 HH2 TRP 5 HH TRP 5 3.577 9.671 5.609 35 H PHE 6 H PHE 6 0.592 2.164 5.019 36 HA PHE 6 HA PHE 6 1.125 0.847 6.682 37 HB2 PHE 6 HB3 PHE 6 0.320 3.142 8.435 38 HB3 PHE 6 HB2 PHE 6 0.611 1.545 9.115 39 HD1 PHE 6 1HD PHE 6 2.100 4.589 8.075 40 HD2 PHE 6 2HD PHE 6 2.856 0.443 8.595 41 HE1 PHE 6 1HE PHE 6 4.520 5.037 8.153 42 HE2 PHE 6 2HE PHE 6 5.267 0.877 8.672 43 HZ PHE 6 HZ PHE 6 6.104 3.180 8.453 44 H LYS 7 H LYS 7 -1.923 1.411 5.776 45 HA LYS 7 HA LYS 7 -3.218 -0.332 7.615 46 HB2 LYS 7 HB3 LYS 7 -4.092 0.559 4.873 47 HB3 LYS 7 HB2 LYS 7 -5.086 -0.089 6.160 48 HG2 LYS 7 2HG LYS 7 -3.642 2.514 6.319 49 HG3 LYS 7 1HG LYS 7 -5.312 2.345 5.813 50 HD2 LYS 7 2HD LYS 7 -5.838 1.346 8.004 51 HD3 LYS 7 1HD LYS 7 -4.152 1.552 8.485 52 HE2 LYS 7 2HE LYS 7 -6.034 3.748 7.672 53 HE3 LYS 7 1HE LYS 7 -5.594 3.364 9.339 54 HZ1 LYS 7 1HZ LYS 7 -4.334 5.243 8.424 55 HZ2 LYS 7 2HZ LYS 7 -3.691 4.291 7.222 56 HZ3 LYS 7 3HZ LYS 7 -3.304 3.988 8.837 57 H SER 8 H SER 8 -3.870 -2.331 7.034 58 HA SER 8 HA SER 8 -2.113 -3.909 5.470 59 HB2 SER 8 HB3 SER 8 -4.740 -4.566 6.778 60 HB3 SER 8 HB2 SER 8 -3.494 -5.697 6.263 61 HG SER 8 HG SER 8 -2.321 -3.923 7.829 62 H CYS 9 H CYS 9 -2.536 -4.755 3.402 63 HA CYS 9 HA CYS 9 -5.072 -4.634 2.214 64 HB2 CYS 9 HB3 CYS 9 -4.082 -3.279 0.307 65 HB3 CYS 9 HB2 CYS 9 -4.588 -2.362 1.715 66 H ASP 10 H ASP 10 -4.477 -5.105 -0.261 67 HA ASP 10 HA ASP 10 -2.259 -7.020 -0.253 68 HB2 ASP 10 HB3 ASP 10 -4.449 -8.212 -0.237 69 HB3 ASP 10 HB2 ASP 10 -4.892 -7.358 -1.715 70 HA PRO 11 HA PRO 11 -0.714 -4.535 -3.579 71 HB2 PRO 11 HB3 PRO 11 0.132 -6.790 -5.117 72 HB3 PRO 11 HB2 PRO 11 1.118 -5.704 -4.138 73 HG2 PRO 11 2HG PRO 11 0.111 -8.386 -3.500 74 HG3 PRO 11 1HG PRO 11 1.435 -7.448 -2.782 75 HD2 PRO 11 2HD PRO 11 -0.930 -7.947 -1.529 76 HD3 PRO 11 1HD PRO 11 0.096 -6.539 -1.185 77 H LYS 12 H LYS 12 -2.744 -7.442 -4.438 78 HA LYS 12 HA LYS 12 -3.358 -6.340 -6.987 79 HB2 LYS 12 HB3 LYS 12 -4.228 -8.713 -5.419 80 HB3 LYS 12 HB2 LYS 12 -4.837 -8.317 -7.008 81 HG2 LYS 12 2HG LYS 12 -2.533 -8.505 -7.886 82 HG3 LYS 12 1HG LYS 12 -1.988 -8.959 -6.267 83 HD2 LYS 12 2HD LYS 12 -3.482 -10.874 -6.298 84 HD3 LYS 12 1HD LYS 12 -4.036 -10.424 -7.912 85 HE2 LYS 12 2HE LYS 12 -1.725 -10.687 -8.731 86 HE3 LYS 12 1HE LYS 12 -1.243 -11.235 -7.125 87 HZ1 LYS 12 1HZ LYS 12 -3.226 -12.559 -8.890 88 HZ2 LYS 12 2HZ LYS 12 -2.796 -13.087 -7.354 89 HZ3 LYS 12 3HZ LYS 12 -1.660 -13.089 -8.591 90 H ASN 13 H ASN 13 -4.468 -6.043 -3.839 91 HA ASN 13 HA ASN 13 -7.054 -4.995 -4.773 92 HB2 ASN 13 HB3 ASN 13 -7.149 -7.174 -3.361 93 HB3 ASN 13 HB2 ASN 13 -6.598 -6.176 -2.019 94 HD21 ASN 13 HD21 ASN 13 -8.484 -6.520 -0.866 95 HD22 ASN 13 HD22 ASN 13 -9.983 -5.786 -1.305 96 H ASP 14 H ASP 14 -5.370 -3.289 -5.019 97 HA ASP 14 HA ASP 14 -4.353 -2.019 -2.636 98 HB2 ASP 14 HB3 ASP 14 -3.075 -2.186 -4.703 99 HB3 ASP 14 HB2 ASP 14 -4.253 -1.124 -5.497 100 H LYS 15 H LYS 15 -5.188 -0.478 -1.699 101 HA LYS 15 HA LYS 15 -7.361 1.111 -2.879 102 HB2 LYS 15 HB3 LYS 15 -7.267 -0.230 -0.206 103 HB3 LYS 15 HB2 LYS 15 -8.086 1.310 -0.338 104 HG2 LYS 15 2HG LYS 15 -9.725 -0.432 -0.490 105 HG3 LYS 15 1HG LYS 15 -9.558 0.287 -2.085 106 HD2 LYS 15 2HD LYS 15 -8.147 -1.585 -2.777 107 HD3 LYS 15 1HD LYS 15 -8.302 -2.296 -1.171 108 HE2 LYS 15 2HE LYS 15 -9.849 -3.360 -2.712 109 HE3 LYS 15 1HE LYS 15 -10.730 -2.454 -1.486 110 HZ1 LYS 15 1HZ LYS 15 -11.022 -0.657 -3.115 111 HZ2 LYS 15 2HZ LYS 15 -11.709 -2.076 -3.602 112 HZ3 LYS 15 3HZ LYS 15 -10.255 -1.590 -4.303 113 H CYS 16 H CYS 16 -4.405 1.438 -2.481 114 HA CYS 16 HA CYS 16 -4.181 3.513 -0.516 115 HB2 CYS 16 HB3 CYS 16 -2.250 2.456 -2.581 116 HB3 CYS 16 HB2 CYS 16 -1.857 3.600 -1.302 117 H CYS 17 H CYS 17 -3.575 5.677 -1.073 118 HA CYS 17 HA CYS 17 -4.864 6.768 -3.346 119 HB2 CYS 17 HB3 CYS 17 -2.881 8.107 -1.500 120 HB3 CYS 17 HB2 CYS 17 -4.172 8.818 -2.440 121 H LYS 18 H LYS 18 -3.206 8.651 -4.294 122 HA LYS 18 HA LYS 18 -1.494 7.226 -6.000 123 HB2 LYS 18 HB3 LYS 18 -2.706 9.276 -6.655 124 HB3 LYS 18 HB2 LYS 18 -1.715 10.199 -5.533 125 HG2 LYS 18 2HG LYS 18 -0.977 10.500 -7.846 126 HG3 LYS 18 1HG LYS 18 0.265 9.721 -6.873 127 HD2 LYS 18 2HD LYS 18 0.100 8.683 -9.077 128 HD3 LYS 18 1HD LYS 18 -0.354 7.540 -7.823 129 HE2 LYS 18 2HE LYS 18 -1.862 7.357 -9.718 130 HE3 LYS 18 1HE LYS 18 -2.731 7.976 -8.321 131 HZ1 LYS 18 1HZ LYS 18 -3.297 9.142 -10.343 132 HZ2 LYS 18 2HZ LYS 18 -1.707 9.624 -10.572 133 HZ3 LYS 18 3HZ LYS 18 -2.583 10.203 -9.260 134 H ASN 19 H ASN 19 0.582 7.247 -6.063 135 HA ASN 19 HA ASN 19 2.763 7.166 -5.497 136 HB2 ASN 19 HB3 ASN 19 2.084 9.331 -3.512 137 HB3 ASN 19 HB2 ASN 19 3.693 8.629 -3.640 138 HD21 ASN 19 HD21 ASN 19 4.651 10.522 -4.292 139 HD22 ASN 19 HD22 ASN 19 4.393 11.218 -5.842 140 H TYR 20 H TYR 20 0.493 6.703 -3.034 141 HA TYR 20 HA TYR 20 2.270 4.972 -1.610 142 HB2 TYR 20 HB3 TYR 20 -0.715 5.276 -1.297 143 HB3 TYR 20 HB2 TYR 20 0.420 4.528 -0.186 144 HD1 TYR 20 1HD TYR 20 2.529 6.325 0.266 145 HD2 TYR 20 2HD TYR 20 -1.551 7.235 -0.430 146 HE1 TYR 20 1HE TYR 20 2.815 8.451 1.438 147 HE2 TYR 20 2HE TYR 20 -1.282 9.382 0.735 148 HH TYR 20 HH TYR 20 1.745 10.672 1.499 149 H THR 21 H THR 21 1.970 2.771 -1.516 150 HA THR 21 HA THR 21 0.356 1.513 -3.596 151 HB THR 21 HB THR 21 3.249 0.895 -3.209 152 HG1 THR 21 1HG THR 21 1.996 2.892 -4.674 153 HG21 THR 21 1HG2 THR 21 3.046 -0.129 -5.449 154 HG22 THR 21 2HG2 THR 21 1.343 0.325 -5.488 155 HG23 THR 21 3HG2 THR 21 1.920 -0.835 -4.292 156 H CYS 22 H CYS 22 -0.158 -0.524 -2.958 157 HA CYS 22 HA CYS 22 0.525 -1.224 -0.269 158 HB2 CYS 22 HB3 CYS 22 -1.704 -1.564 -1.182 159 HB3 CYS 22 HB2 CYS 22 -1.064 -2.861 -2.222 160 H SER 23 H SER 23 1.982 -2.425 0.287 161 HA SER 23 HA SER 23 3.893 -3.323 -1.700 162 HB2 SER 23 HB3 SER 23 4.674 -1.893 0.101 163 HB3 SER 23 HB2 SER 23 4.051 -3.016 1.300 164 HG SER 23 HG SER 23 6.330 -3.135 0.916 165 H ARG 24 H ARG 24 4.479 -5.403 -2.008 166 HA ARG 24 HA ARG 24 2.916 -7.547 -0.748 167 HB2 ARG 24 HB3 ARG 24 3.818 -7.237 -3.291 168 HB3 ARG 24 HB2 ARG 24 5.194 -8.077 -2.611 169 HG2 ARG 24 2HG ARG 24 2.353 -9.116 -2.769 170 HG3 ARG 24 1HG ARG 24 3.719 -9.618 -3.741 171 HD2 ARG 24 2HD ARG 24 4.766 -10.597 -1.780 172 HD3 ARG 24 1HD ARG 24 3.448 -9.996 -0.763 173 HE ARG 24 HE ARG 24 2.482 -11.510 -2.942 174 HH11 ARG 24 1HH1 ARG 24 3.995 -11.992 0.239 175 HH12 ARG 24 2HH1 ARG 24 3.212 -13.454 0.539 176 HH21 ARG 24 1HH2 ARG 24 1.425 -13.545 -2.535 177 HH22 ARG 24 2HH2 ARG 24 1.709 -14.372 -1.083 178 H ARG 25 H ARG 25 5.915 -6.014 -0.870 179 HA ARG 25 HA ARG 25 7.679 -7.782 0.403 180 HB2 ARG 25 HB3 ARG 25 8.371 -5.933 -0.965 181 HB3 ARG 25 HB2 ARG 25 7.533 -4.806 0.065 182 HG2 ARG 25 2HG ARG 25 9.106 -5.332 1.864 183 HG3 ARG 25 1HG ARG 25 10.011 -6.351 0.727 184 HD2 ARG 25 2HD ARG 25 10.952 -4.044 0.870 185 HD3 ARG 25 1HD ARG 25 10.368 -4.449 -0.746 186 HE ARG 25 HE ARG 25 8.662 -2.949 1.134 187 HH11 ARG 25 1HH1 ARG 25 10.422 -3.024 -1.967 188 HH12 ARG 25 2HH1 ARG 25 9.555 -1.718 -2.624 189 HH21 ARG 25 1HH2 ARG 25 7.557 -1.100 0.206 190 HH22 ARG 25 2HH2 ARG 25 7.967 -0.578 -1.386 191 H ASP 26 H ASP 26 5.975 -4.936 1.548 192 HA ASP 26 HA ASP 26 6.593 -5.534 4.347 193 HB2 ASP 26 HB3 ASP 26 5.038 -3.212 3.177 194 HB3 ASP 26 HB2 ASP 26 5.578 -3.359 4.841 195 H ARG 27 H ARG 27 4.037 -5.839 2.095 196 HA ARG 27 HA ARG 27 2.088 -6.694 2.054 197 HB2 ARG 27 HB3 ARG 27 2.616 -7.667 4.863 198 HB3 ARG 27 HB2 ARG 27 1.224 -8.072 3.853 199 HG2 ARG 27 2HG ARG 27 2.626 -9.144 2.229 200 HG3 ARG 27 1HG ARG 27 4.074 -8.658 3.110 201 HD2 ARG 27 2HD ARG 27 1.916 -10.480 4.154 202 HD3 ARG 27 1HD ARG 27 3.478 -11.000 3.523 203 HE ARG 27 HE ARG 27 4.160 -9.258 5.447 204 HH11 ARG 27 1HH1 ARG 27 1.984 -12.051 5.497 205 HH12 ARG 27 2HH1 ARG 27 2.292 -12.440 7.119 206 HH21 ARG 27 1HH2 ARG 27 4.587 -9.791 7.666 207 HH22 ARG 27 2HH2 ARG 27 3.821 -11.121 8.390 208 H TRP 28 H TRP 28 2.687 -3.964 3.420 209 HA TRP 28 HA TRP 28 -0.123 -3.474 3.611 210 HB2 TRP 28 HB3 TRP 28 0.178 -1.889 5.511 211 HB3 TRP 28 HB2 TRP 28 0.471 -3.558 5.957 212 HD1 TRP 28 HD TRP 28 2.607 -0.453 4.962 213 HE1 TRP 28 1HE TRP 28 4.729 -0.494 6.433 214 HE3 TRP 28 3HE TRP 28 1.772 -4.797 7.508 215 HZ2 TRP 28 2HZ TRP 28 5.871 -2.130 8.393 216 HZ3 TRP 28 3HZ TRP 28 3.432 -5.520 9.180 217 HH2 TRP 28 HH TRP 28 5.434 -4.211 9.602 218 H CYS 29 H CYS 29 -0.344 -0.959 3.698 219 HA CYS 29 HA CYS 29 0.774 -0.159 1.231 220 HB2 CYS 29 HB3 CYS 29 -1.564 0.233 1.972 221 HB3 CYS 29 HB2 CYS 29 -0.926 1.404 3.127 222 H LYS 30 H LYS 30 2.290 1.267 0.840 223 HA LYS 30 HA LYS 30 3.339 3.118 2.831 224 HB2 LYS 30 HB3 LYS 30 4.928 0.931 1.546 225 HB3 LYS 30 HB2 LYS 30 5.682 2.458 1.931 226 HG2 LYS 30 2HG LYS 30 5.135 2.030 4.335 227 HG3 LYS 30 1HG LYS 30 4.449 0.470 3.833 228 HD2 LYS 30 2HD LYS 30 6.506 -0.374 3.130 229 HD3 LYS 30 1HD LYS 30 7.248 1.219 3.066 230 HE2 LYS 30 2HE LYS 30 6.343 -0.054 5.639 231 HE3 LYS 30 1HE LYS 30 7.951 -0.310 4.970 232 HZ1 LYS 30 1HZ LYS 30 8.310 2.098 5.071 233 HZ2 LYS 30 2HZ LYS 30 8.001 1.484 6.577 234 HZ3 LYS 30 3HZ LYS 30 6.809 2.338 5.772 235 H TYR 31 H TYR 31 4.915 4.607 1.754 236 HA TYR 31 HA TYR 31 4.000 5.424 -0.863 237 HB2 TYR 31 HB3 TYR 31 4.763 7.020 0.948 238 HB3 TYR 31 HB2 TYR 31 6.369 6.334 0.804 239 HD1 TYR 31 1HD TYR 31 4.013 8.708 -0.505 240 HD2 TYR 31 2HD TYR 31 7.687 6.728 -1.300 241 HE1 TYR 31 1HE TYR 31 4.579 10.423 -2.149 242 HE2 TYR 31 2HE TYR 31 8.251 8.436 -2.956 243 HH TYR 31 HH TYR 31 7.095 10.036 -4.362 244 H ASP 32 H ASP 32 4.710 4.362 -2.630 245 HA ASP 32 HA ASP 32 7.472 3.392 -2.628 246 HB2 ASP 32 HB3 ASP 32 5.980 1.502 -1.863 247 HB3 ASP 32 HB2 ASP 32 5.199 1.580 -3.437 248 H LEU 33 H LEU 33 4.638 3.115 -4.616 249 HA LEU 33 HA LEU 33 6.196 4.343 -6.771 250 HB2 LEU 33 HB3 LEU 33 5.949 1.940 -7.153 251 HB3 LEU 33 HB2 LEU 33 4.211 2.078 -7.019 252 HG LEU 33 HG LEU 33 4.158 3.424 -9.079 253 HD11 LEU 33 HD11 LEU 33 7.118 2.887 -9.162 254 HD12 LEU 33 HD12 LEU 33 6.347 4.459 -8.923 255 HD13 LEU 33 HD13 LEU 33 6.160 3.606 -10.455 256 HD21 LEU 33 HD21 LEU 33 3.908 1.007 -9.201 257 HD22 LEU 33 HD22 LEU 33 5.656 0.825 -9.359 258 HD23 LEU 33 HD23 LEU 33 4.733 1.634 -10.626 259 HN1 NH2 34 HN1 NH2 34 2.816 3.364 -6.698 260 HN2 NH2 34 HN2 NH2 34 2.162 4.948 -6.897
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