NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
590728 | 2mxm | 25419 | 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 -12.046 -3.822 -2.405 2 H2 ASP 1 2HT ASP 1 -10.815 -2.737 -2.830 3 H3 ASP 1 3HT ASP 1 -11.114 -3.077 -1.220 4 HA ASP 1 HA ASP 1 -10.362 -5.302 -1.447 5 HB2 ASP 1 2HB ASP 1 -11.089 -5.314 -3.963 6 HB3 ASP 1 1HB ASP 1 -9.524 -4.571 -4.260 7 H CYS 2 H CYS 2 -7.875 -5.713 -1.799 8 HA CYS 2 HA CYS 2 -6.639 -3.376 -0.669 9 HB2 CYS 2 2HB CYS 2 -4.728 -4.888 -0.268 10 HB3 CYS 2 1HB CYS 2 -6.231 -5.464 0.439 11 H LEU 3 H LEU 3 -4.777 -2.439 -1.408 12 HA LEU 3 HA LEU 3 -4.526 -2.230 -4.240 13 HB2 LEU 3 2HB LEU 3 -2.677 -1.154 -2.103 14 HB3 LEU 3 1HB LEU 3 -2.785 -0.657 -3.776 15 HG LEU 3 HG LEU 3 -4.966 -0.298 -1.766 16 HD11 LEU 3 1HD1 LEU 3 -4.318 2.079 -1.820 17 HD12 LEU 3 2HD1 LEU 3 -2.951 1.662 -2.856 18 HD13 LEU 3 3HD1 LEU 3 -3.025 1.050 -1.201 19 HD21 LEU 3 3HD2 LEU 3 -4.597 0.768 -4.556 20 HD22 LEU 3 1HD2 LEU 3 -5.914 1.200 -3.464 21 HD23 LEU 3 2HD2 LEU 3 -5.755 -0.461 -4.055 22 H LYS 4 H LYS 4 -3.075 -3.154 -5.449 23 HA LYS 4 HA LYS 4 -1.688 -5.393 -4.223 24 HB2 LYS 4 2HB LYS 4 -2.552 -4.914 -7.067 25 HB3 LYS 4 1HB LYS 4 -1.725 -6.372 -6.510 26 HG2 LYS 4 2HG LYS 4 -3.500 -6.884 -4.985 27 HG3 LYS 4 1HG LYS 4 -4.288 -5.356 -5.334 28 HD2 LYS 4 2HD LYS 4 -4.735 -6.112 -7.609 29 HD3 LYS 4 1HD LYS 4 -3.924 -7.646 -7.255 30 HE2 LYS 4 2HE LYS 4 -6.369 -7.830 -7.025 31 HE3 LYS 4 1HE LYS 4 -5.530 -8.133 -5.506 32 HZ1 LYS 4 3HZ LYS 4 -6.036 -5.758 -4.891 33 HZ2 LYS 4 1HZ LYS 4 -7.383 -6.732 -5.046 34 HZ3 LYS 4 2HZ LYS 4 -7.009 -5.662 -6.267 35 H PHE 5 H PHE 5 0.240 -6.079 -5.847 36 HA PHE 5 HA PHE 5 2.267 -4.302 -5.082 37 HB2 PHE 5 2HB PHE 5 2.637 -6.716 -5.364 38 HB3 PHE 5 1HB PHE 5 2.392 -6.548 -7.096 39 HD1 PHE 5 1HD PHE 5 4.573 -5.547 -4.307 40 HD2 PHE 5 2HD PHE 5 4.167 -5.969 -8.506 41 HE1 PHE 5 1HE PHE 5 6.979 -5.109 -4.580 42 HE2 PHE 5 2HE PHE 5 6.565 -5.534 -8.788 43 HZ PHE 5 HZ PHE 5 7.970 -5.108 -6.839 44 H GLY 6 H GLY 6 2.896 -2.491 -5.907 45 HA2 GLY 6 2HA GLY 6 3.696 -1.117 -7.628 46 HA3 GLY 6 1HA GLY 6 2.811 -2.093 -8.794 47 H TRP 7 H TRP 7 0.629 -1.650 -6.384 48 HA TRP 7 HA TRP 7 -0.710 0.271 -8.005 49 HB2 TRP 7 2HB TRP 7 -1.533 -1.196 -5.512 50 HB3 TRP 7 1HB TRP 7 -2.531 0.078 -6.201 51 HD1 TRP 7 HD TRP 7 -0.697 -2.520 -8.347 52 HE1 TRP 7 1HE TRP 7 -2.444 -3.975 -9.560 53 HE3 TRP 7 3HE TRP 7 -4.902 -0.706 -6.126 54 HZ2 TRP 7 2HZ TRP 7 -5.259 -4.293 -9.565 55 HZ3 TRP 7 3HZ TRP 7 -7.075 -1.625 -6.768 56 HH2 TRP 7 HH TRP 7 -7.257 -3.384 -8.460 57 H LYS 8 H LYS 8 -1.323 2.297 -7.408 58 HA LYS 8 HA LYS 8 0.626 3.607 -5.764 59 HB2 LYS 8 2HB LYS 8 -1.724 4.811 -7.244 60 HB3 LYS 8 1HB LYS 8 -0.336 5.675 -6.598 61 HG2 LYS 8 2HG LYS 8 -0.280 3.657 -8.839 62 HG3 LYS 8 1HG LYS 8 -0.115 5.407 -8.998 63 HD2 LYS 8 2HD LYS 8 1.964 5.344 -7.720 64 HD3 LYS 8 1HD LYS 8 1.754 3.612 -7.460 65 HE2 LYS 8 2HE LYS 8 2.099 4.919 -10.154 66 HE3 LYS 8 1HE LYS 8 3.391 4.142 -9.246 67 HZ1 LYS 8 3HZ LYS 8 2.046 2.025 -9.394 68 HZ2 LYS 8 1HZ LYS 8 2.545 2.641 -10.882 69 HZ3 LYS 8 2HZ LYS 8 0.972 2.854 -10.386 70 H CYS 9 H CYS 9 0.390 4.478 -3.833 71 HA CYS 9 HA CYS 9 -2.201 4.272 -2.470 72 HB2 CYS 9 2HB CYS 9 -0.997 3.293 -0.532 73 HB3 CYS 9 1HB CYS 9 -0.968 2.247 -1.949 74 H ASN 10 H ASN 10 -1.746 5.215 -0.127 75 HA ASN 10 HA ASN 10 -0.070 7.604 -0.327 76 HB2 ASN 10 2HB ASN 10 -2.744 7.239 1.055 77 HB3 ASN 10 1HB ASN 10 -1.795 8.671 1.269 78 HD21 ASN 10 1HD2 ASN 10 -3.859 7.025 -0.518 79 HD22 ASN 10 2HD2 ASN 10 -4.187 8.125 -1.838 80 HA PRO 11 HA PRO 11 2.127 5.273 2.703 81 HB2 PRO 11 2HB PRO 11 3.420 7.435 3.917 82 HB3 PRO 11 1HB PRO 11 3.989 6.503 2.529 83 HG2 PRO 11 2HG PRO 11 2.561 9.113 2.596 84 HG3 PRO 11 1HG PRO 11 3.843 8.567 1.503 85 HD2 PRO 11 2HD PRO 11 1.292 8.692 0.730 86 HD3 PRO 11 1HD PRO 11 2.358 7.388 0.165 87 H ARG 12 H ARG 12 0.093 7.922 3.775 88 HA ARG 12 HA ARG 12 0.322 7.181 6.543 89 HB2 ARG 12 2HB ARG 12 -1.503 9.079 5.132 90 HB3 ARG 12 1HB ARG 12 -1.667 8.714 6.841 91 HG2 ARG 12 2HG ARG 12 0.676 9.478 7.154 92 HG3 ARG 12 1HG ARG 12 0.698 9.961 5.456 93 HD2 ARG 12 2HD ARG 12 -1.184 11.467 5.869 94 HD3 ARG 12 1HD ARG 12 -1.202 10.965 7.559 95 HE ARG 12 HE ARG 12 1.339 11.932 6.796 96 HH11 ARG 12 1HH1 ARG 12 -1.902 13.042 7.655 97 HH12 ARG 12 2HH1 ARG 12 -1.402 14.548 8.270 98 HH21 ARG 12 1HH2 ARG 12 2.054 13.972 7.617 99 HH22 ARG 12 2HH2 ARG 12 0.944 15.096 8.268 100 H ASN 13 H ASN 13 -1.777 6.307 3.957 101 HA ASN 13 HA ASN 13 -3.307 4.688 5.866 102 HB2 ASN 13 2HB ASN 13 -4.743 6.506 5.011 103 HB3 ASN 13 1HB ASN 13 -4.405 5.997 3.363 104 HD21 ASN 13 1HD2 ASN 13 -6.587 5.635 2.952 105 HD22 ASN 13 2HD2 ASN 13 -7.435 4.273 3.602 106 H ASP 14 H ASP 14 -2.133 2.902 5.580 107 HA ASP 14 HA ASP 14 -1.398 1.898 3.009 108 HB2 ASP 14 2HB ASP 14 -0.174 1.400 5.167 109 HB3 ASP 14 1HB ASP 14 -1.534 0.372 5.604 110 H LYS 15 H LYS 15 -2.733 0.987 1.685 111 HA LYS 15 HA LYS 15 -4.933 -0.634 2.743 112 HB2 LYS 15 2HB LYS 15 -4.961 1.191 0.333 113 HB3 LYS 15 1HB LYS 15 -6.212 0.008 0.653 114 HG2 LYS 15 2HG LYS 15 -5.493 2.350 2.420 115 HG3 LYS 15 1HG LYS 15 -6.883 2.258 1.339 116 HD2 LYS 15 2HD LYS 15 -6.383 0.430 3.707 117 HD3 LYS 15 1HD LYS 15 -7.471 1.806 3.704 118 HE2 LYS 15 2HE LYS 15 -8.836 0.753 1.968 119 HE3 LYS 15 1HE LYS 15 -7.726 -0.612 1.905 120 HZ1 LYS 15 3HZ LYS 15 -8.304 -1.154 4.174 121 HZ2 LYS 15 1HZ LYS 15 -9.670 -1.119 3.204 122 HZ3 LYS 15 2HZ LYS 15 -9.370 0.151 4.271 123 H CYS 16 H CYS 16 -2.136 -1.174 1.847 124 HA CYS 16 HA CYS 16 -2.435 -2.514 -0.666 125 HB2 CYS 16 2HB CYS 16 -0.122 -2.612 1.280 126 HB3 CYS 16 1HB CYS 16 -0.083 -3.090 -0.407 127 H CYS 17 H CYS 17 -2.022 -4.791 -0.910 128 HA CYS 17 HA CYS 17 -3.602 -6.421 0.700 129 HB2 CYS 17 2HB CYS 17 -1.472 -7.163 -1.294 130 HB3 CYS 17 1HB CYS 17 -2.662 -8.284 -0.642 131 H SER 18 H SER 18 -2.884 -8.506 1.735 132 HA SER 18 HA SER 18 -1.266 -7.862 3.924 133 HB2 SER 18 2HB SER 18 -2.314 -10.543 3.012 134 HB3 SER 18 1HB SER 18 -1.793 -10.122 4.650 135 HG SER 18 HG SER 18 -3.445 -8.560 4.705 136 H GLY 19 H GLY 19 0.863 -7.854 4.056 137 HA2 GLY 19 2HA GLY 19 2.981 -8.930 3.930 138 HA3 GLY 19 1HA GLY 19 2.417 -9.812 2.512 139 H LEU 20 H LEU 20 1.242 -6.866 2.103 140 HA LEU 20 HA LEU 20 3.510 -5.906 0.543 141 HB2 LEU 20 2HB LEU 20 1.382 -6.865 -0.522 142 HB3 LEU 20 1HB LEU 20 0.576 -5.467 0.143 143 HG LEU 20 HG LEU 20 2.108 -4.040 -1.178 144 HD11 LEU 20 1HD1 LEU 20 3.291 -5.107 -2.991 145 HD12 LEU 20 2HD1 LEU 20 2.831 -6.703 -2.345 146 HD13 LEU 20 3HD1 LEU 20 3.892 -5.641 -1.417 147 HD21 LEU 20 3HD2 LEU 20 0.469 -6.063 -2.651 148 HD22 LEU 20 1HD2 LEU 20 1.017 -4.517 -3.281 149 HD23 LEU 20 2HD2 LEU 20 -0.128 -4.562 -1.933 150 H LYS 21 H LYS 21 3.871 -3.637 0.824 151 HA LYS 21 HA LYS 21 2.126 -2.295 2.738 152 HB2 LYS 21 2HB LYS 21 3.941 -3.236 4.057 153 HB3 LYS 21 1HB LYS 21 5.126 -2.501 2.981 154 HG2 LYS 21 2HG LYS 21 4.346 -0.287 3.665 155 HG3 LYS 21 1HG LYS 21 3.194 -1.037 4.762 156 HD2 LYS 21 2HD LYS 21 4.994 -2.005 6.040 157 HD3 LYS 21 1HD LYS 21 6.187 -1.384 4.900 158 HE2 LYS 21 2HE LYS 21 4.346 0.231 6.655 159 HE3 LYS 21 1HE LYS 21 6.085 0.035 6.851 160 HZ1 LYS 21 3HZ LYS 21 4.703 1.445 4.614 161 HZ2 LYS 21 1HZ LYS 21 6.371 1.152 4.671 162 HZ3 LYS 21 2HZ LYS 21 5.640 2.115 5.837 163 H CYS 22 H CYS 22 2.079 -0.136 2.539 164 HA CYS 22 HA CYS 22 2.896 0.983 0.015 165 HB2 CYS 22 2HB CYS 22 0.749 1.586 1.170 166 HB3 CYS 22 1HB CYS 22 1.691 2.348 2.443 167 H GLY 23 H GLY 23 4.843 1.857 -0.332 168 HA2 GLY 23 2HA GLY 23 6.694 2.057 1.854 169 HA3 GLY 23 1HA GLY 23 7.082 2.412 0.187 170 H SER 24 H SER 24 7.537 3.749 2.753 171 HA SER 24 HA SER 24 5.964 6.111 2.858 172 HB2 SER 24 2HB SER 24 7.839 6.843 4.432 173 HB3 SER 24 1HB SER 24 6.911 5.410 4.883 174 HG SER 24 HG SER 24 9.453 5.512 4.760 175 H ASN 25 H ASN 25 9.125 5.336 1.541 176 HA ASN 25 HA ASN 25 9.373 8.051 0.491 177 HB2 ASN 25 2HB ASN 25 11.674 7.477 -0.122 178 HB3 ASN 25 1HB ASN 25 11.392 7.065 1.559 179 HD21 ASN 25 1HD2 ASN 25 13.440 6.104 -0.189 180 HD22 ASN 25 2HD2 ASN 25 13.298 4.385 -0.265 181 H HIS 26 H HIS 26 7.579 5.778 -0.367 182 HA HIS 26 HA HIS 26 8.105 6.007 -3.232 183 HB2 HIS 26 2HB HIS 26 6.967 3.617 -1.746 184 HB3 HIS 26 1HB HIS 26 6.950 3.785 -3.492 185 HD1 HIS 26 1HD HIS 26 9.515 3.972 -4.576 186 HD2 HIS 26 2HD HIS 26 9.100 2.370 -0.775 187 HE1 HIS 26 1HE HIS 26 11.638 2.728 -4.120 188 H ASN 27 H ASN 27 5.793 5.189 -4.232 189 HA ASN 27 HA ASN 27 3.654 6.534 -2.741 190 HB2 ASN 27 2HB ASN 27 4.774 8.021 -4.515 191 HB3 ASN 27 1HB ASN 27 4.126 6.908 -5.711 192 HD21 ASN 27 1HD2 ASN 27 3.371 9.280 -3.302 193 HD22 ASN 27 2HD2 ASN 27 1.763 9.600 -3.808 194 H TRP 28 H TRP 28 4.601 3.823 -3.400 195 HA TRP 28 HA TRP 28 2.114 2.761 -4.404 196 HB2 TRP 28 2HB TRP 28 3.294 1.130 -5.930 197 HB3 TRP 28 1HB TRP 28 3.279 2.796 -6.475 198 HD1 TRP 28 HD TRP 28 5.884 1.744 -3.903 199 HE1 TRP 28 1HE TRP 28 8.197 1.735 -5.002 200 HE3 TRP 28 3HE TRP 28 4.478 2.416 -8.762 201 HZ2 TRP 28 2HZ TRP 28 9.277 1.933 -7.526 202 HZ3 TRP 28 3HZ TRP 28 6.237 2.478 -10.486 203 HH2 TRP 28 HH TRP 28 8.592 2.242 -9.891 204 H CYS 29 H CYS 29 1.890 0.526 -4.157 205 HA CYS 29 HA CYS 29 2.728 -0.477 -1.628 206 HB2 CYS 29 2HB CYS 29 1.153 -1.556 -3.922 207 HB3 CYS 29 1HB CYS 29 1.326 -2.490 -2.474 208 H LYS 30 H LYS 30 4.626 -1.466 -1.289 209 HA LYS 30 HA LYS 30 5.801 -3.148 -3.403 210 HB2 LYS 30 2HB LYS 30 7.232 -1.450 -1.332 211 HB3 LYS 30 1HB LYS 30 8.038 -2.625 -2.356 212 HG2 LYS 30 2HG LYS 30 6.523 -0.225 -3.384 213 HG3 LYS 30 1HG LYS 30 8.266 -0.265 -3.139 214 HD2 LYS 30 2HD LYS 30 6.804 -2.184 -4.955 215 HD3 LYS 30 1HD LYS 30 7.475 -0.648 -5.495 216 HE2 LYS 30 2HE LYS 30 9.683 -1.339 -4.812 217 HE3 LYS 30 1HE LYS 30 9.057 -2.863 -4.191 218 HZ1 LYS 30 3HZ LYS 30 9.047 -1.963 -7.024 219 HZ2 LYS 30 1HZ LYS 30 8.379 -3.403 -6.484 220 HZ3 LYS 30 2HZ LYS 30 10.032 -3.146 -6.375 221 H LEU 31 H LEU 31 7.328 -4.821 -2.340 222 HA LEU 31 HA LEU 31 5.664 -6.359 -0.607 223 HB2 LEU 31 2HB LEU 31 8.503 -6.817 -1.511 224 HB3 LEU 31 1HB LEU 31 7.531 -7.974 -0.631 225 HG LEU 31 HG LEU 31 6.808 -6.922 -3.364 226 HD11 LEU 31 1HD1 LEU 31 7.538 -9.091 -4.188 227 HD12 LEU 31 2HD1 LEU 31 8.072 -9.529 -2.567 228 HD13 LEU 31 3HD1 LEU 31 8.877 -8.220 -3.437 229 HD21 LEU 31 3HD2 LEU 31 5.275 -8.826 -3.363 230 HD22 LEU 31 1HD2 LEU 31 4.897 -7.686 -2.072 231 HD23 LEU 31 2HD2 LEU 31 5.736 -9.192 -1.702 232 H HIS 32 H HIS 32 5.653 -6.543 1.498 233 HA HIS 32 HA HIS 32 7.055 -4.639 3.041 234 HB2 HIS 32 2HB HIS 32 4.773 -5.332 3.607 235 HB3 HIS 32 1HB HIS 32 5.325 -6.975 3.887 236 HD1 HIS 32 1HD HIS 32 5.283 -7.386 6.369 237 HD2 HIS 32 2HD HIS 32 6.584 -3.560 5.415 238 HE1 HIS 32 1HE HIS 32 5.853 -6.273 8.549 239 H LEU 33 H LEU 33 8.973 -4.801 3.904 240 HA LEU 33 HA LEU 33 9.977 -7.337 4.821 241 HB2 LEU 33 2HB LEU 33 10.783 -7.147 2.483 242 HB3 LEU 33 1HB LEU 33 11.488 -5.591 2.857 243 HG LEU 33 HG LEU 33 13.033 -6.707 4.446 244 HD11 LEU 33 1HD1 LEU 33 11.701 -8.655 5.007 245 HD12 LEU 33 2HD1 LEU 33 13.269 -9.144 4.368 246 HD13 LEU 33 3HD1 LEU 33 11.833 -9.245 3.349 247 HD21 LEU 33 3HD2 LEU 33 13.741 -6.235 2.168 248 HD22 LEU 33 1HD2 LEU 33 13.078 -7.778 1.626 249 HD23 LEU 33 2HD2 LEU 33 14.447 -7.747 2.736 Start of MODEL 2 1 H1 ASP 1 1HT ASP 1 -11.418 -4.131 -2.600 2 H2 ASP 1 2HT ASP 1 -11.541 -4.623 -0.999 3 H3 ASP 1 3HT ASP 1 -12.185 -5.597 -2.219 4 HA ASP 1 HA ASP 1 -10.109 -6.419 -1.340 5 HB2 ASP 1 2HB ASP 1 -9.913 -5.351 -4.163 6 HB3 ASP 1 1HB ASP 1 -8.791 -6.512 -3.467 7 H CYS 2 H CYS 2 -7.706 -6.103 -1.609 8 HA CYS 2 HA CYS 2 -6.969 -3.534 -0.507 9 HB2 CYS 2 2HB CYS 2 -4.787 -4.803 -0.232 10 HB3 CYS 2 1HB CYS 2 -6.181 -5.415 0.660 11 H LEU 3 H LEU 3 -4.826 -2.614 -1.261 12 HA LEU 3 HA LEU 3 -4.796 -2.292 -4.110 13 HB2 LEU 3 2HB LEU 3 -2.787 -1.297 -2.075 14 HB3 LEU 3 1HB LEU 3 -2.965 -0.753 -3.721 15 HG LEU 3 HG LEU 3 -4.992 -0.383 -1.555 16 HD11 LEU 3 1HD1 LEU 3 -2.980 0.948 -1.154 17 HD12 LEU 3 2HD1 LEU 3 -4.303 2.000 -1.658 18 HD13 LEU 3 3HD1 LEU 3 -3.038 1.563 -2.806 19 HD21 LEU 3 3HD2 LEU 3 -5.900 -0.526 -3.846 20 HD22 LEU 3 1HD2 LEU 3 -4.860 0.812 -4.310 21 HD23 LEU 3 2HD2 LEU 3 -6.144 1.069 -3.118 22 H LYS 4 H LYS 4 -3.346 -3.168 -5.473 23 HA LYS 4 HA LYS 4 -1.944 -5.526 -4.470 24 HB2 LYS 4 2HB LYS 4 -2.470 -4.614 -7.295 25 HB3 LYS 4 1HB LYS 4 -1.720 -6.138 -6.849 26 HG2 LYS 4 2HG LYS 4 -3.754 -6.852 -5.750 27 HG3 LYS 4 1HG LYS 4 -4.507 -5.293 -6.097 28 HD2 LYS 4 2HD LYS 4 -4.299 -5.716 -8.482 29 HD3 LYS 4 1HD LYS 4 -3.521 -7.261 -8.153 30 HE2 LYS 4 2HE LYS 4 -6.319 -6.479 -7.351 31 HE3 LYS 4 1HE LYS 4 -5.910 -7.518 -8.706 32 HZ1 LYS 4 3HZ LYS 4 -6.563 -8.847 -6.868 33 HZ2 LYS 4 1HZ LYS 4 -5.467 -8.117 -5.819 34 HZ3 LYS 4 2HZ LYS 4 -4.911 -9.080 -7.081 35 H PHE 5 H PHE 5 0.140 -6.022 -5.883 36 HA PHE 5 HA PHE 5 2.124 -4.260 -4.990 37 HB2 PHE 5 2HB PHE 5 2.542 -6.640 -5.406 38 HB3 PHE 5 1HB PHE 5 2.259 -6.392 -7.122 39 HD1 PHE 5 1HD PHE 5 4.495 -5.313 -4.343 40 HD2 PHE 5 2HD PHE 5 4.052 -5.938 -8.524 41 HE1 PHE 5 1HE PHE 5 6.884 -4.897 -4.654 42 HE2 PHE 5 2HE PHE 5 6.453 -5.518 -8.840 43 HZ PHE 5 HZ PHE 5 7.868 -5.002 -6.902 44 H GLY 6 H GLY 6 2.924 -2.486 -5.773 45 HA2 GLY 6 2HA GLY 6 3.699 -1.044 -7.416 46 HA3 GLY 6 1HA GLY 6 2.809 -1.965 -8.623 47 H TRP 7 H TRP 7 0.578 -1.567 -6.277 48 HA TRP 7 HA TRP 7 -0.641 0.515 -7.805 49 HB2 TRP 7 2HB TRP 7 -1.548 -1.037 -5.397 50 HB3 TRP 7 1HB TRP 7 -2.461 0.335 -6.018 51 HD1 TRP 7 HD TRP 7 -0.814 -2.195 -8.398 52 HE1 TRP 7 1HE TRP 7 -2.704 -3.460 -9.656 53 HE3 TRP 7 3HE TRP 7 -4.831 -0.404 -5.856 54 HZ2 TRP 7 2HZ TRP 7 -5.496 -3.660 -9.547 55 HZ3 TRP 7 3HZ TRP 7 -7.070 -1.179 -6.477 56 HH2 TRP 7 HH TRP 7 -7.395 -2.761 -8.270 57 H LYS 8 H LYS 8 -1.044 2.561 -7.206 58 HA LYS 8 HA LYS 8 0.869 3.762 -5.505 59 HB2 LYS 8 2HB LYS 8 -1.620 4.954 -6.735 60 HB3 LYS 8 1HB LYS 8 -0.321 5.868 -5.988 61 HG2 LYS 8 2HG LYS 8 -0.027 4.128 -8.434 62 HG3 LYS 8 1HG LYS 8 -0.189 5.883 -8.451 63 HD2 LYS 8 2HD LYS 8 1.901 6.091 -7.191 64 HD3 LYS 8 1HD LYS 8 2.041 4.337 -7.111 65 HE2 LYS 8 2HE LYS 8 3.488 5.226 -8.854 66 HE3 LYS 8 1HE LYS 8 2.212 4.237 -9.549 67 HZ1 LYS 8 3HZ LYS 8 2.624 6.284 -10.773 68 HZ2 LYS 8 1HZ LYS 8 2.176 7.209 -9.439 69 HZ3 LYS 8 2HZ LYS 8 1.042 6.226 -10.207 70 H CYS 9 H CYS 9 0.829 3.956 -3.444 71 HA CYS 9 HA CYS 9 -1.671 3.501 -2.005 72 HB2 CYS 9 2HB CYS 9 -0.223 3.014 -0.061 73 HB3 CYS 9 1HB CYS 9 0.147 1.967 -1.427 74 H ASN 10 H ASN 10 -1.619 4.725 0.205 75 HA ASN 10 HA ASN 10 -0.996 7.516 -0.386 76 HB2 ASN 10 2HB ASN 10 -3.087 6.304 1.456 77 HB3 ASN 10 1HB ASN 10 -2.818 8.024 1.227 78 HD21 ASN 10 1HD2 ASN 10 -5.162 6.294 0.766 79 HD22 ASN 10 2HD2 ASN 10 -5.605 6.584 -0.886 80 HA PRO 11 HA PRO 11 2.120 6.899 2.752 81 HB2 PRO 11 2HB PRO 11 2.228 9.573 3.569 82 HB3 PRO 11 1HB PRO 11 3.203 8.839 2.295 83 HG2 PRO 11 2HG PRO 11 0.726 10.470 2.084 84 HG3 PRO 11 1HG PRO 11 2.124 10.400 1.004 85 HD2 PRO 11 2HD PRO 11 -0.203 9.215 0.385 86 HD3 PRO 11 1HD PRO 11 1.344 8.493 -0.085 87 H ARG 12 H ARG 12 -0.780 8.776 3.436 88 HA ARG 12 HA ARG 12 -0.459 8.465 6.261 89 HB2 ARG 12 2HB ARG 12 -2.768 9.449 4.621 90 HB3 ARG 12 1HB ARG 12 -2.795 9.337 6.368 91 HG2 ARG 12 2HG ARG 12 -0.944 11.048 4.701 92 HG3 ARG 12 1HG ARG 12 -2.295 11.613 5.685 93 HD2 ARG 12 2HD ARG 12 0.267 10.337 6.655 94 HD3 ARG 12 1HD ARG 12 -0.250 12.002 6.886 95 HE ARG 12 HE ARG 12 -2.246 10.651 8.029 96 HH11 ARG 12 1HH1 ARG 12 1.260 10.439 8.468 97 HH12 ARG 12 2HH1 ARG 12 1.181 9.901 10.080 98 HH21 ARG 12 1HH2 ARG 12 -2.375 9.909 10.218 99 HH22 ARG 12 2HH2 ARG 12 -0.962 9.584 11.110 100 H ASN 13 H ASN 13 -2.137 6.685 3.772 101 HA ASN 13 HA ASN 13 -2.888 4.788 5.823 102 HB2 ASN 13 2HB ASN 13 -5.175 4.502 4.834 103 HB3 ASN 13 1HB ASN 13 -4.894 6.028 5.665 104 HD21 ASN 13 1HD2 ASN 13 -4.895 7.910 4.494 105 HD22 ASN 13 2HD2 ASN 13 -5.460 8.031 2.875 106 H ASP 14 H ASP 14 -2.002 3.014 5.373 107 HA ASP 14 HA ASP 14 -1.386 2.134 2.693 108 HB2 ASP 14 2HB ASP 14 0.166 1.614 4.542 109 HB3 ASP 14 1HB ASP 14 -1.128 0.763 5.376 110 H LYS 15 H LYS 15 -2.757 1.009 1.501 111 HA LYS 15 HA LYS 15 -4.798 -0.613 2.857 112 HB2 LYS 15 2HB LYS 15 -5.117 0.962 0.287 113 HB3 LYS 15 1HB LYS 15 -6.311 -0.150 0.925 114 HG2 LYS 15 2HG LYS 15 -5.412 2.444 2.187 115 HG3 LYS 15 1HG LYS 15 -6.938 2.163 1.360 116 HD2 LYS 15 2HD LYS 15 -6.027 0.877 3.950 117 HD3 LYS 15 1HD LYS 15 -7.241 2.136 3.784 118 HE2 LYS 15 2HE LYS 15 -7.437 -0.681 2.700 119 HE3 LYS 15 1HE LYS 15 -8.262 -0.065 4.125 120 HZ1 LYS 15 3HZ LYS 15 -9.715 -0.135 2.224 121 HZ2 LYS 15 1HZ LYS 15 -8.691 0.844 1.329 122 HZ3 LYS 15 2HZ LYS 15 -9.498 1.466 2.675 123 H CYS 16 H CYS 16 -2.096 -1.207 1.895 124 HA CYS 16 HA CYS 16 -2.394 -2.562 -0.614 125 HB2 CYS 16 2HB CYS 16 -0.092 -2.645 1.342 126 HB3 CYS 16 1HB CYS 16 -0.052 -3.180 -0.324 127 H CYS 17 H CYS 17 -2.014 -4.797 -0.893 128 HA CYS 17 HA CYS 17 -3.610 -6.440 0.693 129 HB2 CYS 17 2HB CYS 17 -1.576 -7.114 -1.404 130 HB3 CYS 17 1HB CYS 17 -2.667 -8.302 -0.693 131 H SER 18 H SER 18 -2.900 -8.625 1.552 132 HA SER 18 HA SER 18 -1.224 -8.254 3.740 133 HB2 SER 18 2HB SER 18 -2.180 -10.812 2.459 134 HB3 SER 18 1HB SER 18 -1.646 -10.605 4.132 135 HG SER 18 HG SER 18 -3.379 -9.104 4.382 136 H GLY 19 H GLY 19 0.924 -8.420 3.888 137 HA2 GLY 19 2HA GLY 19 3.058 -9.273 3.489 138 HA3 GLY 19 1HA GLY 19 2.436 -10.127 2.077 139 H LEU 20 H LEU 20 1.427 -6.932 2.257 140 HA LEU 20 HA LEU 20 3.518 -6.030 0.425 141 HB2 LEU 20 2HB LEU 20 1.121 -6.857 -0.364 142 HB3 LEU 20 1HB LEU 20 0.663 -5.264 0.178 143 HG LEU 20 HG LEU 20 2.334 -4.324 -1.412 144 HD11 LEU 20 1HD1 LEU 20 3.074 -5.880 -3.194 145 HD12 LEU 20 2HD1 LEU 20 2.455 -7.222 -2.218 146 HD13 LEU 20 3HD1 LEU 20 3.783 -6.235 -1.616 147 HD21 LEU 20 3HD2 LEU 20 -0.039 -4.466 -1.929 148 HD22 LEU 20 1HD2 LEU 20 0.191 -6.112 -2.511 149 HD23 LEU 20 2HD2 LEU 20 0.950 -4.770 -3.358 150 H LYS 21 H LYS 21 3.919 -3.760 0.718 151 HA LYS 21 HA LYS 21 2.339 -2.375 2.751 152 HB2 LYS 21 2HB LYS 21 4.275 -3.556 3.883 153 HB3 LYS 21 1HB LYS 21 5.336 -2.536 2.914 154 HG2 LYS 21 2HG LYS 21 5.315 -1.262 4.795 155 HG3 LYS 21 1HG LYS 21 3.856 -0.625 4.049 156 HD2 LYS 21 2HD LYS 21 3.994 -2.769 6.182 157 HD3 LYS 21 1HD LYS 21 3.500 -1.099 6.423 158 HE2 LYS 21 2HE LYS 21 1.576 -1.487 4.930 159 HE3 LYS 21 1HE LYS 21 2.092 -3.163 4.742 160 HZ1 LYS 21 3HZ LYS 21 0.371 -3.048 6.378 161 HZ2 LYS 21 1HZ LYS 21 1.196 -1.865 7.257 162 HZ3 LYS 21 2HZ LYS 21 1.812 -3.424 7.162 163 H CYS 22 H CYS 22 2.292 -0.285 2.433 164 HA CYS 22 HA CYS 22 2.997 0.982 0.045 165 HB2 CYS 22 2HB CYS 22 1.239 1.731 1.639 166 HB3 CYS 22 1HB CYS 22 2.488 2.177 2.786 167 H GLY 23 H GLY 23 4.831 2.013 -0.597 168 HA2 GLY 23 2HA GLY 23 7.226 1.608 0.918 169 HA3 GLY 23 1HA GLY 23 7.100 2.366 -0.661 170 H SER 24 H SER 24 8.763 3.261 1.439 171 HA SER 24 HA SER 24 7.619 5.528 2.699 172 HB2 SER 24 2HB SER 24 10.087 5.991 3.136 173 HB3 SER 24 1HB SER 24 9.481 4.451 3.741 174 HG SER 24 HG SER 24 11.520 4.450 2.548 175 H ASN 25 H ASN 25 10.095 5.136 0.265 176 HA ASN 25 HA ASN 25 9.306 7.641 -1.048 177 HB2 ASN 25 2HB ASN 25 11.416 7.504 -2.280 178 HB3 ASN 25 1HB ASN 25 11.764 7.273 -0.573 179 HD21 ASN 25 1HD2 ASN 25 12.493 5.247 0.139 180 HD22 ASN 25 2HD2 ASN 25 12.981 4.021 -0.974 181 H HIS 26 H HIS 26 8.662 7.569 -3.200 182 HA HIS 26 HA HIS 26 7.338 6.790 -4.847 183 HB2 HIS 26 2HB HIS 26 8.812 4.157 -4.424 184 HB3 HIS 26 1HB HIS 26 7.681 4.450 -5.710 185 HD1 HIS 26 1HD HIS 26 11.182 5.384 -4.612 186 HD2 HIS 26 2HD HIS 26 8.577 5.890 -7.788 187 HE1 HIS 26 1HE HIS 26 12.571 6.310 -6.497 188 H ASN 27 H ASN 27 5.429 7.015 -3.950 189 HA ASN 27 HA ASN 27 4.609 5.156 -1.980 190 HB2 ASN 27 2HB ASN 27 3.375 7.667 -2.995 191 HB3 ASN 27 1HB ASN 27 2.388 6.513 -2.097 192 HD21 ASN 27 1HD2 ASN 27 2.852 6.102 0.028 193 HD22 ASN 27 2HD2 ASN 27 3.865 7.126 0.976 194 H TRP 28 H TRP 28 4.794 3.393 -3.159 195 HA TRP 28 HA TRP 28 2.217 2.649 -4.196 196 HB2 TRP 28 2HB TRP 28 3.346 1.095 -5.846 197 HB3 TRP 28 1HB TRP 28 3.397 2.795 -6.254 198 HD1 TRP 28 HD TRP 28 5.984 1.411 -3.774 199 HE1 TRP 28 1HE TRP 28 8.265 1.343 -4.886 200 HE3 TRP 28 3HE TRP 28 4.602 2.593 -8.553 201 HZ2 TRP 28 2HZ TRP 28 9.345 1.684 -7.339 202 HZ3 TRP 28 3HZ TRP 28 6.374 2.694 -10.263 203 HH2 TRP 28 HH TRP 28 8.704 2.255 -9.686 204 H CYS 29 H CYS 29 1.872 0.416 -4.069 205 HA CYS 29 HA CYS 29 2.689 -0.699 -1.594 206 HB2 CYS 29 2HB CYS 29 1.138 -1.755 -3.926 207 HB3 CYS 29 1HB CYS 29 1.291 -2.671 -2.455 208 H LYS 30 H LYS 30 4.609 -1.584 -1.265 209 HA LYS 30 HA LYS 30 6.023 -2.995 -3.439 210 HB2 LYS 30 2HB LYS 30 7.112 -1.887 -0.842 211 HB3 LYS 30 1HB LYS 30 8.039 -2.586 -2.156 212 HG2 LYS 30 2HG LYS 30 7.470 -0.676 -3.593 213 HG3 LYS 30 1HG LYS 30 6.461 -0.021 -2.302 214 HD2 LYS 30 2HD LYS 30 8.562 1.124 -2.297 215 HD3 LYS 30 1HD LYS 30 8.484 0.099 -0.867 216 HE2 LYS 30 2HE LYS 30 9.831 -1.613 -2.088 217 HE3 LYS 30 1HE LYS 30 9.953 -0.471 -3.430 218 HZ1 LYS 30 3HZ LYS 30 10.963 -0.001 -0.683 219 HZ2 LYS 30 1HZ LYS 30 11.087 1.066 -1.973 220 HZ3 LYS 30 2HZ LYS 30 11.908 -0.392 -2.030 221 H LEU 31 H LEU 31 7.444 -4.822 -2.476 222 HA LEU 31 HA LEU 31 5.803 -6.663 -1.067 223 HB2 LEU 31 2HB LEU 31 8.787 -6.736 -1.555 224 HB3 LEU 31 1HB LEU 31 7.806 -8.085 -1.032 225 HG LEU 31 HG LEU 31 7.611 -6.719 -3.720 226 HD11 LEU 31 1HD1 LEU 31 8.747 -9.398 -2.948 227 HD12 LEU 31 2HD1 LEU 31 9.666 -7.989 -3.477 228 HD13 LEU 31 3HD1 LEU 31 8.560 -8.790 -4.592 229 HD21 LEU 31 3HD2 LEU 31 6.239 -9.187 -2.668 230 HD22 LEU 31 1HD2 LEU 31 6.133 -8.564 -4.313 231 HD23 LEU 31 2HD2 LEU 31 5.465 -7.631 -2.972 232 H HIS 32 H HIS 32 5.565 -6.908 1.062 233 HA HIS 32 HA HIS 32 6.922 -5.114 2.839 234 HB2 HIS 32 2HB HIS 32 4.561 -5.670 3.242 235 HB3 HIS 32 1HB HIS 32 4.975 -7.366 3.419 236 HD1 HIS 32 1HD HIS 32 5.105 -8.086 5.814 237 HD2 HIS 32 2HD HIS 32 6.019 -4.058 5.340 238 HE1 HIS 32 1HE HIS 32 5.505 -7.185 8.124 239 H LEU 33 H LEU 33 8.883 -5.471 3.428 240 HA LEU 33 HA LEU 33 9.853 -8.202 3.755 241 HB2 LEU 33 2HB LEU 33 11.374 -5.598 3.518 242 HB3 LEU 33 1HB LEU 33 12.089 -7.190 3.639 243 HG LEU 33 HG LEU 33 10.441 -6.166 1.325 244 HD11 LEU 33 1HD1 LEU 33 12.626 -5.122 1.441 245 HD12 LEU 33 2HD1 LEU 33 12.546 -6.248 0.087 246 HD13 LEU 33 3HD1 LEU 33 13.394 -6.704 1.565 247 HD21 LEU 33 3HD2 LEU 33 11.127 -8.239 0.193 248 HD22 LEU 33 1HD2 LEU 33 10.145 -8.572 1.619 249 HD23 LEU 33 2HD2 LEU 33 11.893 -8.792 1.682 Start of MODEL 3 1 H1 ASP 1 1HT ASP 1 -11.489 -3.314 -1.100 2 H2 ASP 1 2HT ASP 1 -11.092 -4.647 -0.172 3 H3 ASP 1 3HT ASP 1 -12.234 -4.809 -1.412 4 HA ASP 1 HA ASP 1 -10.139 -5.730 -2.101 5 HB2 ASP 1 2HB ASP 1 -9.730 -4.395 -4.114 6 HB3 ASP 1 1HB ASP 1 -11.454 -4.522 -3.821 7 H CYS 2 H CYS 2 -7.985 -5.770 -1.782 8 HA CYS 2 HA CYS 2 -6.780 -3.469 -0.496 9 HB2 CYS 2 2HB CYS 2 -4.838 -5.018 -0.167 10 HB3 CYS 2 1HB CYS 2 -6.330 -5.551 0.598 11 H LEU 3 H LEU 3 -4.689 -2.650 -1.276 12 HA LEU 3 HA LEU 3 -4.748 -2.320 -4.120 13 HB2 LEU 3 2HB LEU 3 -2.640 -1.403 -2.165 14 HB3 LEU 3 1HB LEU 3 -2.855 -0.851 -3.806 15 HG LEU 3 HG LEU 3 -4.789 -0.422 -1.563 16 HD11 LEU 3 1HD1 LEU 3 -4.073 1.931 -1.731 17 HD12 LEU 3 2HD1 LEU 3 -2.847 1.453 -2.909 18 HD13 LEU 3 3HD1 LEU 3 -2.764 0.851 -1.250 19 HD21 LEU 3 3HD2 LEU 3 -5.895 -0.548 -3.736 20 HD22 LEU 3 1HD2 LEU 3 -4.779 0.664 -4.367 21 HD23 LEU 3 2HD2 LEU 3 -5.921 1.095 -3.094 22 H LYS 4 H LYS 4 -3.282 -3.050 -5.577 23 HA LYS 4 HA LYS 4 -1.999 -5.564 -4.879 24 HB2 LYS 4 2HB LYS 4 -2.459 -4.227 -7.538 25 HB3 LYS 4 1HB LYS 4 -1.834 -5.848 -7.331 26 HG2 LYS 4 2HG LYS 4 -3.974 -6.527 -6.317 27 HG3 LYS 4 1HG LYS 4 -4.580 -4.882 -6.531 28 HD2 LYS 4 2HD LYS 4 -4.239 -5.089 -8.955 29 HD3 LYS 4 1HD LYS 4 -3.679 -6.743 -8.719 30 HE2 LYS 4 2HE LYS 4 -5.862 -7.371 -7.840 31 HE3 LYS 4 1HE LYS 4 -6.419 -5.706 -8.015 32 HZ1 LYS 4 3HZ LYS 4 -6.109 -5.884 -10.406 33 HZ2 LYS 4 1HZ LYS 4 -7.139 -7.107 -9.882 34 HZ3 LYS 4 2HZ LYS 4 -5.528 -7.437 -10.260 35 H PHE 5 H PHE 5 0.068 -5.920 -6.390 36 HA PHE 5 HA PHE 5 2.101 -4.304 -5.288 37 HB2 PHE 5 2HB PHE 5 2.444 -6.668 -5.861 38 HB3 PHE 5 1HB PHE 5 2.218 -6.295 -7.564 39 HD1 PHE 5 2HD PHE 5 4.383 -5.541 -4.656 40 HD2 PHE 5 1HD PHE 5 4.058 -5.737 -8.890 41 HE1 PHE 5 2HE PHE 5 6.791 -5.149 -4.853 42 HE2 PHE 5 1HE PHE 5 6.477 -5.344 -9.098 43 HZ PHE 5 HZ PHE 5 7.850 -5.052 -7.071 44 H GLY 6 H GLY 6 2.935 -2.474 -5.962 45 HA2 GLY 6 2HA GLY 6 3.689 -0.872 -7.448 46 HA3 GLY 6 1HA GLY 6 2.953 -1.775 -8.764 47 H TRP 7 H TRP 7 0.705 -1.381 -6.281 48 HA TRP 7 HA TRP 7 -0.601 0.665 -7.856 49 HB2 TRP 7 2HB TRP 7 -1.508 -1.103 -5.608 50 HB3 TRP 7 1HB TRP 7 -2.449 0.312 -6.066 51 HD1 TRP 7 HD TRP 7 -0.738 -1.931 -8.694 52 HE1 TRP 7 1HE TRP 7 -2.573 -3.045 -10.111 53 HE3 TRP 7 3HE TRP 7 -4.827 -0.431 -6.040 54 HZ2 TRP 7 2HZ TRP 7 -5.393 -3.257 -10.100 55 HZ3 TRP 7 3HZ TRP 7 -7.045 -1.130 -6.793 56 HH2 TRP 7 HH TRP 7 -7.330 -2.516 -8.787 57 H LYS 8 H LYS 8 -1.187 2.649 -7.135 58 HA LYS 8 HA LYS 8 0.695 3.776 -5.297 59 HB2 LYS 8 2HB LYS 8 -1.588 5.057 -6.807 60 HB3 LYS 8 1HB LYS 8 -0.371 5.923 -5.883 61 HG2 LYS 8 2HG LYS 8 0.218 4.181 -8.268 62 HG3 LYS 8 1HG LYS 8 0.054 5.937 -8.315 63 HD2 LYS 8 2HD LYS 8 1.957 6.203 -6.857 64 HD3 LYS 8 1HD LYS 8 2.070 4.461 -6.614 65 HE2 LYS 8 2HE LYS 8 3.740 5.289 -8.200 66 HE3 LYS 8 1HE LYS 8 2.633 4.142 -8.952 67 HZ1 LYS 8 3HZ LYS 8 3.069 6.019 -10.368 68 HZ2 LYS 8 1HZ LYS 8 2.536 7.100 -9.195 69 HZ3 LYS 8 2HZ LYS 8 1.449 6.039 -9.911 70 H CYS 9 H CYS 9 0.442 4.083 -3.283 71 HA CYS 9 HA CYS 9 -2.198 3.677 -2.117 72 HB2 CYS 9 2HB CYS 9 -0.883 3.213 -0.031 73 HB3 CYS 9 1HB CYS 9 -0.584 2.079 -1.344 74 H ASN 10 H ASN 10 -2.108 4.900 0.208 75 HA ASN 10 HA ASN 10 -1.781 7.710 -0.494 76 HB2 ASN 10 2HB ASN 10 -3.206 6.308 1.758 77 HB3 ASN 10 1HB ASN 10 -3.039 8.045 1.667 78 HD21 ASN 10 1HD2 ASN 10 -5.323 6.350 1.736 79 HD22 ASN 10 2HD2 ASN 10 -6.283 6.692 0.336 80 HA PRO 11 HA PRO 11 1.838 7.792 2.171 81 HB2 PRO 11 2HB PRO 11 1.777 10.513 2.684 82 HB3 PRO 11 1HB PRO 11 2.515 9.798 1.248 83 HG2 PRO 11 2HG PRO 11 -0.174 11.057 1.574 84 HG3 PRO 11 1HG PRO 11 0.964 11.180 0.221 85 HD2 PRO 11 2HD PRO 11 -1.202 9.604 0.113 86 HD3 PRO 11 1HD PRO 11 0.322 9.137 -0.662 87 H ARG 12 H ARG 12 -1.312 8.833 2.863 88 HA ARG 12 HA ARG 12 -0.996 9.367 5.634 89 HB2 ARG 12 2HB ARG 12 -3.358 9.062 3.869 90 HB3 ARG 12 1HB ARG 12 -3.512 9.269 5.608 91 HG2 ARG 12 2HG ARG 12 -2.338 11.366 5.501 92 HG3 ARG 12 1HG ARG 12 -2.067 11.152 3.769 93 HD2 ARG 12 2HD ARG 12 -3.917 12.634 4.233 94 HD3 ARG 12 1HD ARG 12 -4.399 11.155 3.370 95 HE ARG 12 HE ARG 12 -4.687 11.256 6.268 96 HH11 ARG 12 1HH1 ARG 12 -6.283 11.161 3.081 97 HH12 ARG 12 2HH1 ARG 12 -7.813 10.786 3.700 98 HH21 ARG 12 1HH2 ARG 12 -6.827 10.706 7.102 99 HH22 ARG 12 2HH2 ARG 12 -8.134 10.522 6.032 100 H ASN 13 H ASN 13 -1.986 6.474 3.693 101 HA ASN 13 HA ASN 13 -1.813 4.882 6.013 102 HB2 ASN 13 2HB ASN 13 -4.045 4.014 5.985 103 HB3 ASN 13 1HB ASN 13 -4.070 5.750 6.277 104 HD21 ASN 13 1HD2 ASN 13 -6.183 3.997 5.384 105 HD22 ASN 13 2HD2 ASN 13 -6.728 4.599 3.859 106 H ASP 14 H ASP 14 -1.276 2.911 5.571 107 HA ASP 14 HA ASP 14 -0.721 1.949 2.927 108 HB2 ASP 14 2HB ASP 14 0.536 1.268 5.036 109 HB3 ASP 14 1HB ASP 14 -0.913 0.389 5.506 110 H LYS 15 H LYS 15 -2.116 0.906 1.618 111 HA LYS 15 HA LYS 15 -4.422 -0.457 2.807 112 HB2 LYS 15 2HB LYS 15 -4.434 1.370 0.412 113 HB3 LYS 15 1HB LYS 15 -5.747 0.258 0.743 114 HG2 LYS 15 2HG LYS 15 -4.839 2.572 2.465 115 HG3 LYS 15 1HG LYS 15 -6.326 2.471 1.518 116 HD2 LYS 15 2HD LYS 15 -5.614 0.735 3.902 117 HD3 LYS 15 1HD LYS 15 -6.760 2.066 3.882 118 HE2 LYS 15 2HE LYS 15 -8.211 0.895 2.376 119 HE3 LYS 15 1HE LYS 15 -7.021 -0.384 2.151 120 HZ1 LYS 15 3HZ LYS 15 -8.801 -1.006 3.661 121 HZ2 LYS 15 1HZ LYS 15 -8.372 0.215 4.729 122 HZ3 LYS 15 2HZ LYS 15 -7.309 -1.058 4.410 123 H CYS 16 H CYS 16 -1.794 -1.299 1.840 124 HA CYS 16 HA CYS 16 -2.257 -2.662 -0.661 125 HB2 CYS 16 2HB CYS 16 0.032 -2.938 1.288 126 HB3 CYS 16 1HB CYS 16 0.026 -3.409 -0.404 127 H CYS 17 H CYS 17 -2.023 -5.031 -0.833 128 HA CYS 17 HA CYS 17 -3.663 -6.449 0.971 129 HB2 CYS 17 2HB CYS 17 -1.710 -7.529 -1.075 130 HB3 CYS 17 1HB CYS 17 -3.011 -8.440 -0.321 131 H SER 18 H SER 18 -2.945 -8.515 2.108 132 HA SER 18 HA SER 18 -0.911 -7.924 3.944 133 HB2 SER 18 2HB SER 18 -2.293 -10.547 3.357 134 HB3 SER 18 1HB SER 18 -1.452 -10.122 4.853 135 HG SER 18 HG SER 18 -3.005 -8.321 4.970 136 H GLY 19 H GLY 19 1.198 -8.466 3.910 137 HA2 GLY 19 2HA GLY 19 3.125 -9.633 3.235 138 HA3 GLY 19 1HA GLY 19 2.194 -10.373 1.933 139 H LEU 20 H LEU 20 1.540 -7.119 2.156 140 HA LEU 20 HA LEU 20 3.572 -6.341 0.195 141 HB2 LEU 20 2HB LEU 20 1.055 -6.996 -0.477 142 HB3 LEU 20 1HB LEU 20 0.750 -5.372 0.080 143 HG LEU 20 HG LEU 20 2.392 -4.558 -1.625 144 HD11 LEU 20 1HD1 LEU 20 2.979 -6.160 -3.407 145 HD12 LEU 20 2HD1 LEU 20 2.245 -7.451 -2.437 146 HD13 LEU 20 3HD1 LEU 20 3.662 -6.601 -1.838 147 HD21 LEU 20 3HD2 LEU 20 0.904 -4.925 -3.514 148 HD22 LEU 20 1HD2 LEU 20 -0.022 -4.545 -2.061 149 HD23 LEU 20 2HD2 LEU 20 0.086 -6.209 -2.627 150 H LYS 21 H LYS 21 4.017 -3.981 0.428 151 HA LYS 21 HA LYS 21 2.772 -2.714 2.765 152 HB2 LYS 21 2HB LYS 21 4.765 -3.789 3.643 153 HB3 LYS 21 1HB LYS 21 5.754 -2.975 2.426 154 HG2 LYS 21 2HG LYS 21 5.046 -0.790 3.441 155 HG3 LYS 21 1HG LYS 21 4.261 -1.717 4.717 156 HD2 LYS 21 2HD LYS 21 7.203 -1.880 4.065 157 HD3 LYS 21 1HD LYS 21 6.522 -0.839 5.310 158 HE2 LYS 21 2HE LYS 21 6.206 -3.837 5.241 159 HE3 LYS 21 1HE LYS 21 7.450 -2.993 6.153 160 HZ1 LYS 21 3HZ LYS 21 5.549 -3.593 7.501 161 HZ2 LYS 21 1HZ LYS 21 4.516 -2.644 6.569 162 HZ3 LYS 21 2HZ LYS 21 5.751 -1.926 7.456 163 H CYS 22 H CYS 22 2.566 -0.652 2.683 164 HA CYS 22 HA CYS 22 3.523 0.888 0.380 165 HB2 CYS 22 2HB CYS 22 1.129 1.026 0.724 166 HB3 CYS 22 1HB CYS 22 1.352 1.352 2.435 167 H GLY 23 H GLY 23 5.512 1.590 0.904 168 HA2 GLY 23 2HA GLY 23 6.007 2.563 3.617 169 HA3 GLY 23 1HA GLY 23 7.229 2.124 2.427 170 H SER 24 H SER 24 8.002 4.317 3.290 171 HA SER 24 HA SER 24 6.676 6.560 2.026 172 HB2 SER 24 2HB SER 24 8.516 7.761 3.330 173 HB3 SER 24 1HB SER 24 7.272 6.942 4.277 174 HG SER 24 HG SER 24 9.406 6.495 4.985 175 H ASN 25 H ASN 25 9.205 4.372 1.559 176 HA ASN 25 HA ASN 25 11.032 5.970 0.101 177 HB2 ASN 25 2HB ASN 25 12.016 3.827 -0.667 178 HB3 ASN 25 1HB ASN 25 11.806 3.886 1.075 179 HD21 ASN 25 1HD2 ASN 25 12.095 1.623 -0.733 180 HD22 ASN 25 2HD2 ASN 25 10.737 0.600 -0.440 181 H HIS 26 H HIS 26 8.287 4.042 -0.801 182 HA HIS 26 HA HIS 26 8.164 5.469 -3.308 183 HB2 HIS 26 2HB HIS 26 8.126 2.419 -3.130 184 HB3 HIS 26 1HB HIS 26 7.439 3.294 -4.468 185 HD1 HIS 26 1HD HIS 26 10.733 2.184 -3.092 186 HD2 HIS 26 2HD HIS 26 9.203 4.639 -6.038 187 HE1 HIS 26 1HE HIS 26 12.667 2.700 -4.611 188 H ASN 27 H ASN 27 6.087 5.828 -3.951 189 HA ASN 27 HA ASN 27 4.164 5.537 -1.798 190 HB2 ASN 27 2HB ASN 27 4.530 7.736 -2.967 191 HB3 ASN 27 1HB ASN 27 3.892 7.012 -4.434 192 HD21 ASN 27 1HD2 ASN 27 2.620 6.525 -1.147 193 HD22 ASN 27 2HD2 ASN 27 1.103 7.260 -1.494 194 H TRP 28 H TRP 28 5.002 3.317 -3.511 195 HA TRP 28 HA TRP 28 2.324 2.530 -4.279 196 HB2 TRP 28 2HB TRP 28 3.157 1.187 -6.181 197 HB3 TRP 28 1HB TRP 28 3.570 2.853 -6.316 198 HD1 TRP 28 HD TRP 28 5.513 -0.151 -4.745 199 HE1 TRP 28 1HE TRP 28 7.849 -0.176 -5.770 200 HE3 TRP 28 3HE TRP 28 5.001 3.804 -7.755 201 HZ2 TRP 28 2HZ TRP 28 9.318 1.327 -7.612 202 HZ3 TRP 28 3HZ TRP 28 6.941 4.526 -9.185 203 HH2 TRP 28 HH TRP 28 9.055 3.292 -9.105 204 H CYS 29 H CYS 29 1.975 0.333 -4.239 205 HA CYS 29 HA CYS 29 2.818 -0.818 -1.761 206 HB2 CYS 29 2HB CYS 29 1.090 -1.808 -3.990 207 HB3 CYS 29 1HB CYS 29 1.355 -2.758 -2.550 208 H LYS 30 H LYS 30 4.759 -1.699 -1.545 209 HA LYS 30 HA LYS 30 5.881 -3.336 -3.723 210 HB2 LYS 30 2HB LYS 30 7.252 -2.249 -1.254 211 HB3 LYS 30 1HB LYS 30 8.008 -3.182 -2.528 212 HG2 LYS 30 2HG LYS 30 7.390 -1.302 -4.100 213 HG3 LYS 30 1HG LYS 30 6.933 -0.382 -2.678 214 HD2 LYS 30 2HD LYS 30 9.205 0.192 -3.335 215 HD3 LYS 30 1HD LYS 30 9.225 -0.652 -1.785 216 HE2 LYS 30 2HE LYS 30 9.845 -2.755 -2.948 217 HE3 LYS 30 1HE LYS 30 9.771 -1.878 -4.481 218 HZ1 LYS 30 3HZ LYS 30 11.646 -1.224 -2.297 219 HZ2 LYS 30 1HZ LYS 30 11.629 -0.601 -3.863 220 HZ3 LYS 30 2HZ LYS 30 12.012 -2.214 -3.593 221 H LEU 31 H LEU 31 7.320 -5.187 -2.676 222 HA LEU 31 HA LEU 31 5.521 -6.922 -1.294 223 HB2 LEU 31 2HB LEU 31 8.475 -7.201 -1.833 224 HB3 LEU 31 1HB LEU 31 7.445 -8.468 -1.208 225 HG LEU 31 HG LEU 31 7.210 -7.211 -3.944 226 HD11 LEU 31 1HD1 LEU 31 7.984 -9.400 -4.735 227 HD12 LEU 31 2HD1 LEU 31 8.263 -9.890 -3.062 228 HD13 LEU 31 3HD1 LEU 31 9.189 -8.562 -3.762 229 HD21 LEU 31 3HD2 LEU 31 5.040 -7.952 -3.119 230 HD22 LEU 31 1HD2 LEU 31 5.722 -9.524 -2.695 231 HD23 LEU 31 2HD2 LEU 31 5.621 -9.031 -4.383 232 H HIS 32 H HIS 32 5.670 -7.730 0.814 233 HA HIS 32 HA HIS 32 6.772 -5.813 2.679 234 HB2 HIS 32 2HB HIS 32 4.518 -7.044 2.928 235 HB3 HIS 32 1HB HIS 32 5.474 -8.451 3.368 236 HD1 HIS 32 1HD HIS 32 6.955 -8.138 5.662 237 HD2 HIS 32 2HD HIS 32 4.019 -5.307 4.899 238 HE1 HIS 32 1HE HIS 32 6.596 -6.903 7.812 239 H LEU 33 H LEU 33 8.582 -6.123 3.841 240 HA LEU 33 HA LEU 33 10.260 -8.368 3.135 241 HB2 LEU 33 2HB LEU 33 10.840 -5.954 4.847 242 HB3 LEU 33 1HB LEU 33 12.008 -7.139 4.308 243 HG LEU 33 HG LEU 33 10.508 -5.211 2.531 244 HD11 LEU 33 1HD1 LEU 33 13.392 -5.313 3.361 245 HD12 LEU 33 2HD1 LEU 33 12.191 -4.136 3.898 246 HD13 LEU 33 3HD1 LEU 33 12.680 -4.189 2.205 247 HD21 LEU 33 3HD2 LEU 33 12.645 -7.230 1.874 248 HD22 LEU 33 1HD2 LEU 33 11.998 -6.019 0.766 249 HD23 LEU 33 2HD2 LEU 33 10.951 -7.297 1.376 Start of MODEL 4 1 H1 ASP 1 1HT ASP 1 -11.967 -3.019 -1.489 2 H2 ASP 1 2HT ASP 1 -10.683 -2.091 -2.105 3 H3 ASP 1 3HT ASP 1 -10.725 -2.468 -0.482 4 HA ASP 1 HA ASP 1 -10.404 -4.792 -0.955 5 HB2 ASP 1 2HB ASP 1 -11.471 -4.501 -3.321 6 HB3 ASP 1 1HB ASP 1 -9.874 -3.906 -3.779 7 H CYS 2 H CYS 2 -8.108 -5.544 -1.414 8 HA CYS 2 HA CYS 2 -6.463 -3.380 -0.515 9 HB2 CYS 2 2HB CYS 2 -4.709 -5.033 -0.183 10 HB3 CYS 2 1HB CYS 2 -6.208 -5.517 0.592 11 H LEU 3 H LEU 3 -4.663 -2.622 -1.409 12 HA LEU 3 HA LEU 3 -4.664 -2.452 -4.275 13 HB2 LEU 3 2HB LEU 3 -2.684 -1.348 -2.284 14 HB3 LEU 3 1HB LEU 3 -2.872 -0.865 -3.952 15 HG LEU 3 HG LEU 3 -4.957 -0.470 -1.826 16 HD11 LEU 3 1HD1 LEU 3 -4.309 1.893 -1.924 17 HD12 LEU 3 2HD1 LEU 3 -2.996 1.481 -3.027 18 HD13 LEU 3 3HD1 LEU 3 -2.981 0.875 -1.371 19 HD21 LEU 3 3HD2 LEU 3 -6.003 0.996 -3.474 20 HD22 LEU 3 1HD2 LEU 3 -5.852 -0.653 -4.090 21 HD23 LEU 3 2HD2 LEU 3 -4.729 0.597 -4.630 22 H LYS 4 H LYS 4 -3.153 -3.269 -5.624 23 HA LYS 4 HA LYS 4 -1.658 -5.547 -4.596 24 HB2 LYS 4 2HB LYS 4 -2.161 -4.639 -7.425 25 HB3 LYS 4 1HB LYS 4 -1.236 -6.061 -6.990 26 HG2 LYS 4 2HG LYS 4 -3.303 -6.948 -5.882 27 HG3 LYS 4 1HG LYS 4 -4.175 -5.573 -6.564 28 HD2 LYS 4 2HD LYS 4 -4.453 -7.507 -8.019 29 HD3 LYS 4 1HD LYS 4 -3.472 -6.290 -8.829 30 HE2 LYS 4 2HE LYS 4 -1.441 -7.513 -8.307 31 HE3 LYS 4 1HE LYS 4 -2.354 -8.672 -7.347 32 HZ1 LYS 4 3HZ LYS 4 -3.442 -9.417 -9.328 33 HZ2 LYS 4 1HZ LYS 4 -1.784 -9.512 -9.525 34 HZ3 LYS 4 2HZ LYS 4 -2.639 -8.277 -10.287 35 H PHE 5 H PHE 5 0.475 -5.898 -5.868 36 HA PHE 5 HA PHE 5 2.290 -3.946 -5.003 37 HB2 PHE 5 2HB PHE 5 2.834 -6.366 -5.342 38 HB3 PHE 5 1HB PHE 5 2.739 -6.107 -7.077 39 HD1 PHE 5 1HD PHE 5 4.484 -4.880 -8.245 40 HD2 PHE 5 2HD PHE 5 4.708 -5.550 -4.056 41 HE1 PHE 5 1HE PHE 5 6.857 -4.259 -8.273 42 HE2 PHE 5 2HE PHE 5 7.069 -4.936 -4.072 43 HZ PHE 5 HZ PHE 5 8.159 -4.288 -6.182 44 H GLY 6 H GLY 6 2.964 -2.169 -5.902 45 HA2 GLY 6 2HA GLY 6 3.649 -0.752 -7.647 46 HA3 GLY 6 1HA GLY 6 2.873 -1.834 -8.790 47 H TRP 7 H TRP 7 0.683 -1.278 -6.330 48 HA TRP 7 HA TRP 7 -0.689 0.657 -8.016 49 HB2 TRP 7 2HB TRP 7 -1.563 -0.995 -5.649 50 HB3 TRP 7 1HB TRP 7 -2.569 0.280 -6.320 51 HD1 TRP 7 HD TRP 7 -0.616 -2.059 -8.643 52 HE1 TRP 7 1HE TRP 7 -2.309 -3.541 -9.925 53 HE3 TRP 7 3HE TRP 7 -4.878 -0.752 -6.176 54 HZ2 TRP 7 2HZ TRP 7 -5.062 -4.077 -9.873 55 HZ3 TRP 7 3HZ TRP 7 -6.998 -1.791 -6.842 56 HH2 TRP 7 HH TRP 7 -7.089 -3.418 -8.654 57 H LYS 8 H LYS 8 -1.312 2.705 -7.262 58 HA LYS 8 HA LYS 8 0.497 3.941 -5.486 59 HB2 LYS 8 2HB LYS 8 -2.123 4.939 -6.596 60 HB3 LYS 8 1HB LYS 8 -1.061 5.907 -5.594 61 HG2 LYS 8 2HG LYS 8 -0.389 4.750 -8.286 62 HG3 LYS 8 1HG LYS 8 -0.794 6.434 -7.942 63 HD2 LYS 8 2HD LYS 8 1.194 6.507 -6.416 64 HD3 LYS 8 1HD LYS 8 1.618 4.894 -6.984 65 HE2 LYS 8 2HE LYS 8 1.425 7.404 -8.640 66 HE3 LYS 8 1HE LYS 8 2.889 6.541 -8.192 67 HZ1 LYS 8 3HZ LYS 8 2.119 4.643 -9.492 68 HZ2 LYS 8 1HZ LYS 8 2.255 6.021 -10.436 69 HZ3 LYS 8 2HZ LYS 8 0.735 5.495 -9.959 70 H CYS 9 H CYS 9 0.492 4.199 -3.451 71 HA CYS 9 HA CYS 9 -1.912 3.570 -1.884 72 HB2 CYS 9 2HB CYS 9 -0.349 2.778 -0.152 73 HB3 CYS 9 1HB CYS 9 -0.143 1.869 -1.647 74 H ASN 10 H ASN 10 -1.498 4.677 0.431 75 HA ASN 10 HA ASN 10 -0.220 7.258 -0.028 76 HB2 ASN 10 2HB ASN 10 -2.754 6.659 1.519 77 HB3 ASN 10 1HB ASN 10 -1.881 8.183 1.621 78 HD21 ASN 10 1HD2 ASN 10 -4.599 7.640 0.735 79 HD22 ASN 10 2HD2 ASN 10 -4.705 8.233 -0.877 80 HA PRO 11 HA PRO 11 2.449 5.924 3.207 81 HB2 PRO 11 2HB PRO 11 2.934 8.423 4.347 82 HB3 PRO 11 1HB PRO 11 3.840 7.715 3.010 83 HG2 PRO 11 2HG PRO 11 1.630 9.709 2.961 84 HG3 PRO 11 1HG PRO 11 3.061 9.596 1.927 85 HD2 PRO 11 2HD PRO 11 0.648 8.853 1.051 86 HD3 PRO 11 1HD PRO 11 2.111 7.965 0.574 87 H ARG 12 H ARG 12 -0.186 8.114 3.987 88 HA ARG 12 HA ARG 12 -0.170 7.247 6.751 89 HB2 ARG 12 2HB ARG 12 -1.880 9.191 5.258 90 HB3 ARG 12 1HB ARG 12 -2.191 8.725 6.918 91 HG2 ARG 12 2HG ARG 12 0.312 10.059 5.888 92 HG3 ARG 12 1HG ARG 12 -0.979 10.846 6.801 93 HD2 ARG 12 2HD ARG 12 0.876 8.667 7.773 94 HD3 ARG 12 1HD ARG 12 0.828 10.345 8.295 95 HE ARG 12 HE ARG 12 -1.672 9.482 8.822 96 HH11 ARG 12 1HH1 ARG 12 1.525 8.269 9.763 97 HH12 ARG 12 2HH1 ARG 12 0.978 7.523 11.183 98 HH21 ARG 12 1HH2 ARG 12 -2.414 8.481 10.755 99 HH22 ARG 12 2HH2 ARG 12 -1.307 7.655 11.778 100 H ASN 13 H ASN 13 -1.916 6.583 3.842 101 HA ASN 13 HA ASN 13 -3.685 4.829 5.395 102 HB2 ASN 13 2HB ASN 13 -4.996 6.682 4.418 103 HB3 ASN 13 1HB ASN 13 -4.406 6.257 2.816 104 HD21 ASN 13 1HD2 ASN 13 -6.466 5.860 2.036 105 HD22 ASN 13 2HD2 ASN 13 -7.386 4.476 2.481 106 H ASP 14 H ASP 14 -2.477 3.081 5.210 107 HA ASP 14 HA ASP 14 -1.525 2.160 2.626 108 HB2 ASP 14 2HB ASP 14 -0.188 1.853 4.746 109 HB3 ASP 14 1HB ASP 14 -1.456 0.774 5.310 110 H LYS 15 H LYS 15 -2.863 1.079 1.381 111 HA LYS 15 HA LYS 15 -4.913 -0.600 2.644 112 HB2 LYS 15 2HB LYS 15 -5.092 0.995 0.089 113 HB3 LYS 15 1HB LYS 15 -6.266 -0.213 0.571 114 HG2 LYS 15 2HG LYS 15 -5.627 2.324 2.077 115 HG3 LYS 15 1HG LYS 15 -7.021 2.070 1.029 116 HD2 LYS 15 2HD LYS 15 -6.418 0.541 3.577 117 HD3 LYS 15 1HD LYS 15 -7.598 1.833 3.413 118 HE2 LYS 15 2HE LYS 15 -7.695 -0.825 1.957 119 HE3 LYS 15 1HE LYS 15 -8.644 -0.388 3.371 120 HZ1 LYS 15 3HZ LYS 15 -8.809 0.966 0.727 121 HZ2 LYS 15 1HZ LYS 15 -9.725 1.336 2.094 122 HZ3 LYS 15 2HZ LYS 15 -9.909 -0.150 1.325 123 H CYS 16 H CYS 16 -2.118 -1.165 1.747 124 HA CYS 16 HA CYS 16 -2.406 -2.614 -0.711 125 HB2 CYS 16 2HB CYS 16 -0.129 -2.697 1.284 126 HB3 CYS 16 1HB CYS 16 -0.068 -3.192 -0.398 127 H CYS 17 H CYS 17 -2.004 -4.951 -0.850 128 HA CYS 17 HA CYS 17 -3.649 -6.451 0.874 129 HB2 CYS 17 2HB CYS 17 -1.596 -7.374 -1.141 130 HB3 CYS 17 1HB CYS 17 -2.804 -8.416 -0.406 131 H SER 18 H SER 18 -2.908 -8.544 1.952 132 HA SER 18 HA SER 18 -1.160 -7.902 4.047 133 HB2 SER 18 2HB SER 18 -3.051 -9.529 4.236 134 HB3 SER 18 1HB SER 18 -2.161 -10.641 3.202 135 HG SER 18 HG SER 18 -1.611 -9.817 5.830 136 H GLY 19 H GLY 19 0.972 -8.212 4.272 137 HA2 GLY 19 2HA GLY 19 3.081 -9.135 3.868 138 HA3 GLY 19 1HA GLY 19 2.405 -10.017 2.498 139 H LEU 20 H LEU 20 1.309 -6.946 2.299 140 HA LEU 20 HA LEU 20 3.514 -6.055 0.584 141 HB2 LEU 20 2HB LEU 20 1.111 -6.895 -0.269 142 HB3 LEU 20 1HB LEU 20 0.666 -5.275 0.195 143 HG LEU 20 HG LEU 20 2.429 -4.431 -1.370 144 HD11 LEU 20 1HD1 LEU 20 2.479 -7.350 -2.088 145 HD12 LEU 20 2HD1 LEU 20 3.834 -6.383 -1.495 146 HD13 LEU 20 3HD1 LEU 20 3.138 -6.070 -3.095 147 HD21 LEU 20 3HD2 LEU 20 0.061 -4.513 -1.981 148 HD22 LEU 20 1HD2 LEU 20 0.272 -6.176 -2.532 149 HD23 LEU 20 2HD2 LEU 20 1.110 -4.860 -3.354 150 H LYS 21 H LYS 21 3.707 -3.653 0.696 151 HA LYS 21 HA LYS 21 2.131 -2.317 2.737 152 HB2 LYS 21 2HB LYS 21 4.023 -3.400 3.975 153 HB3 LYS 21 1HB LYS 21 5.136 -2.472 2.970 154 HG2 LYS 21 2HG LYS 21 4.284 -0.405 3.891 155 HG3 LYS 21 1HG LYS 21 3.095 -1.287 4.839 156 HD2 LYS 21 2HD LYS 21 4.935 -0.653 6.259 157 HD3 LYS 21 1HD LYS 21 4.947 -2.400 6.052 158 HE2 LYS 21 2HE LYS 21 6.740 -2.279 4.474 159 HE3 LYS 21 1HE LYS 21 6.646 -0.522 4.416 160 HZ1 LYS 21 3HZ LYS 21 7.442 -2.105 6.822 161 HZ2 LYS 21 1HZ LYS 21 7.414 -0.427 6.692 162 HZ3 LYS 21 2HZ LYS 21 8.494 -1.346 5.780 163 H CYS 22 H CYS 22 2.206 -0.110 2.547 164 HA CYS 22 HA CYS 22 2.781 0.981 0.016 165 HB2 CYS 22 2HB CYS 22 1.095 1.860 1.646 166 HB3 CYS 22 1HB CYS 22 2.421 2.416 2.659 167 H GLY 23 H GLY 23 4.653 1.824 -0.780 168 HA2 GLY 23 2HA GLY 23 7.044 1.445 0.754 169 HA3 GLY 23 1HA GLY 23 6.934 2.024 -0.899 170 H SER 24 H SER 24 8.758 3.100 0.746 171 HA SER 24 HA SER 24 7.653 5.674 1.556 172 HB2 SER 24 2HB SER 24 9.971 5.923 2.613 173 HB3 SER 24 1HB SER 24 8.895 4.714 3.317 174 HG SER 24 HG SER 24 10.009 3.139 2.435 175 H ASN 25 H ASN 25 10.333 4.326 -0.311 176 HA ASN 25 HA ASN 25 11.039 6.876 -1.430 177 HB2 ASN 25 2HB ASN 25 12.701 5.691 -2.744 178 HB3 ASN 25 1HB ASN 25 12.736 5.094 -1.094 179 HD21 ASN 25 1HD2 ASN 25 13.634 3.895 -3.584 180 HD22 ASN 25 2HD2 ASN 25 12.849 2.372 -3.716 181 H HIS 26 H HIS 26 8.665 4.682 -2.091 182 HA HIS 26 HA HIS 26 8.096 5.982 -4.609 183 HB2 HIS 26 2HB HIS 26 8.220 2.991 -4.193 184 HB3 HIS 26 1HB HIS 26 7.188 3.689 -5.427 185 HD1 HIS 26 1HD HIS 26 10.522 2.324 -5.077 186 HD2 HIS 26 2HD HIS 26 8.741 5.474 -7.070 187 HE1 HIS 26 1HE HIS 26 12.106 2.931 -6.916 188 H ASN 27 H ASN 27 5.815 5.792 -5.164 189 HA ASN 27 HA ASN 27 4.314 5.966 -2.666 190 HB2 ASN 27 2HB ASN 27 4.463 7.987 -4.185 191 HB3 ASN 27 1HB ASN 27 3.559 7.075 -5.384 192 HD21 ASN 27 1HD2 ASN 27 2.974 7.034 -1.894 193 HD22 ASN 27 2HD2 ASN 27 1.404 7.728 -1.992 194 H TRP 28 H TRP 28 4.956 3.550 -4.173 195 HA TRP 28 HA TRP 28 2.224 2.686 -4.682 196 HB2 TRP 28 2HB TRP 28 3.046 1.000 -6.303 197 HB3 TRP 28 1HB TRP 28 3.428 2.625 -6.766 198 HD1 TRP 28 HD TRP 28 5.499 0.185 -4.538 199 HE1 TRP 28 1HE TRP 28 7.833 -0.050 -5.588 200 HE3 TRP 28 3HE TRP 28 4.780 3.017 -8.626 201 HZ2 TRP 28 2HZ TRP 28 9.187 0.845 -7.824 202 HZ3 TRP 28 3HZ TRP 28 6.666 3.307 -10.247 203 HH2 TRP 28 HH TRP 28 8.822 2.234 -9.847 204 H CYS 29 H CYS 29 1.815 0.517 -4.311 205 HA CYS 29 HA CYS 29 2.650 -0.413 -1.763 206 HB2 CYS 29 2HB CYS 29 1.048 -1.610 -3.982 207 HB3 CYS 29 1HB CYS 29 1.312 -2.522 -2.526 208 H LYS 30 H LYS 30 4.467 -1.379 -1.306 209 HA LYS 30 HA LYS 30 5.922 -2.909 -3.359 210 HB2 LYS 30 2HB LYS 30 6.976 -1.562 -0.856 211 HB3 LYS 30 1HB LYS 30 7.926 -2.408 -2.064 212 HG2 LYS 30 2HG LYS 30 7.385 -0.675 -3.704 213 HG3 LYS 30 1HG LYS 30 6.404 0.157 -2.496 214 HD2 LYS 30 2HD LYS 30 8.542 1.244 -2.608 215 HD3 LYS 30 1HD LYS 30 8.451 0.361 -1.084 216 HE2 LYS 30 2HE LYS 30 9.731 -1.489 -2.147 217 HE3 LYS 30 1HE LYS 30 9.880 -0.487 -3.590 218 HZ1 LYS 30 3HZ LYS 30 10.953 0.130 -0.900 219 HZ2 LYS 30 1HZ LYS 30 11.050 1.170 -2.222 220 HZ3 LYS 30 2HZ LYS 30 11.853 -0.308 -2.242 221 H LEU 31 H LEU 31 7.569 -4.345 -1.748 222 HA LEU 31 HA LEU 31 5.851 -6.296 -0.576 223 HB2 LEU 31 2HB LEU 31 8.841 -5.956 -0.296 224 HB3 LEU 31 1HB LEU 31 7.936 -7.413 0.066 225 HG LEU 31 HG LEU 31 8.332 -6.198 -2.671 226 HD11 LEU 31 1HD1 LEU 31 9.489 -8.683 -1.433 227 HD12 LEU 31 2HD1 LEU 31 10.357 -7.192 -1.802 228 HD13 LEU 31 3HD1 LEU 31 9.692 -8.171 -3.109 229 HD21 LEU 31 3HD2 LEU 31 6.166 -7.328 -2.502 230 HD22 LEU 31 1HD2 LEU 31 6.965 -8.772 -1.875 231 HD23 LEU 31 2HD2 LEU 31 7.278 -8.232 -3.526 232 H HIS 32 H HIS 32 5.873 -6.897 1.748 233 HA HIS 32 HA HIS 32 5.827 -4.481 3.324 234 HB2 HIS 32 2HB HIS 32 4.108 -6.396 3.447 235 HB3 HIS 32 1HB HIS 32 5.331 -7.231 4.404 236 HD1 HIS 32 1HD HIS 32 2.465 -5.087 4.804 237 HD2 HIS 32 2HD HIS 32 6.099 -5.555 6.759 238 HE1 HIS 32 1HE HIS 32 2.181 -4.034 7.064 239 H LEU 33 H LEU 33 7.983 -4.050 3.231 240 HA LEU 33 HA LEU 33 9.666 -5.645 5.037 241 HB2 LEU 33 2HB LEU 33 10.543 -3.656 2.932 242 HB3 LEU 33 1HB LEU 33 11.593 -4.654 3.911 243 HG LEU 33 HG LEU 33 9.724 -5.619 1.743 244 HD11 LEU 33 1HD1 LEU 33 11.772 -6.190 0.551 245 HD12 LEU 33 2HD1 LEU 33 12.728 -5.499 1.860 246 HD13 LEU 33 3HD1 LEU 33 11.683 -4.461 0.892 247 HD21 LEU 33 3HD2 LEU 33 11.670 -7.191 3.440 248 HD22 LEU 33 1HD2 LEU 33 10.740 -7.819 2.082 249 HD23 LEU 33 2HD2 LEU 33 9.910 -7.279 3.541 Start of MODEL 5 1 H1 ASP 1 1HT ASP 1 -11.074 -2.691 -2.288 2 H2 ASP 1 2HT ASP 1 -10.974 -3.449 -0.811 3 H3 ASP 1 3HT ASP 1 -12.151 -3.965 -1.937 4 HA ASP 1 HA ASP 1 -10.306 -5.497 -1.944 5 HB2 ASP 1 2HB ASP 1 -9.570 -5.288 -4.282 6 HB3 ASP 1 1HB ASP 1 -11.284 -4.917 -4.161 7 H CYS 2 H CYS 2 -8.011 -5.815 -1.914 8 HA CYS 2 HA CYS 2 -6.706 -3.493 -0.801 9 HB2 CYS 2 2HB CYS 2 -4.842 -5.028 -0.268 10 HB3 CYS 2 1HB CYS 2 -6.367 -5.555 0.419 11 H LEU 3 H LEU 3 -4.762 -2.671 -1.533 12 HA LEU 3 HA LEU 3 -4.641 -2.538 -4.384 13 HB2 LEU 3 2HB LEU 3 -2.743 -1.403 -2.343 14 HB3 LEU 3 1HB LEU 3 -2.892 -0.927 -4.016 15 HG LEU 3 HG LEU 3 -5.025 -0.557 -1.940 16 HD11 LEU 3 1HD1 LEU 3 -3.060 1.407 -3.111 17 HD12 LEU 3 2HD1 LEU 3 -3.080 0.796 -1.452 18 HD13 LEU 3 3HD1 LEU 3 -4.400 1.812 -2.035 19 HD21 LEU 3 3HD2 LEU 3 -5.857 -0.769 -4.238 20 HD22 LEU 3 1HD2 LEU 3 -4.770 0.519 -4.743 21 HD23 LEU 3 2HD2 LEU 3 -6.087 0.872 -3.617 22 H LYS 4 H LYS 4 -3.154 -3.397 -5.682 23 HA LYS 4 HA LYS 4 -1.679 -5.698 -4.649 24 HB2 LYS 4 2HB LYS 4 -2.127 -4.801 -7.495 25 HB3 LYS 4 1HB LYS 4 -1.377 -6.308 -7.007 26 HG2 LYS 4 2HG LYS 4 -3.489 -7.036 -6.015 27 HG3 LYS 4 1HG LYS 4 -4.233 -5.505 -6.497 28 HD2 LYS 4 2HD LYS 4 -3.706 -6.018 -8.851 29 HD3 LYS 4 1HD LYS 4 -3.039 -7.567 -8.346 30 HE2 LYS 4 2HE LYS 4 -5.233 -8.220 -7.474 31 HE3 LYS 4 1HE LYS 4 -5.887 -6.663 -7.975 32 HZ1 LYS 4 3HZ LYS 4 -6.377 -8.396 -9.599 33 HZ2 LYS 4 1HZ LYS 4 -4.737 -8.700 -9.802 34 HZ3 LYS 4 2HZ LYS 4 -5.388 -7.230 -10.276 35 H PHE 5 H PHE 5 0.451 -6.132 -5.901 36 HA PHE 5 HA PHE 5 2.331 -4.226 -5.045 37 HB2 PHE 5 2HB PHE 5 2.851 -6.621 -5.187 38 HB3 PHE 5 1HB PHE 5 2.687 -6.561 -6.934 39 HD1 PHE 5 2HD PHE 5 4.610 -4.932 -4.193 40 HD2 PHE 5 1HD PHE 5 4.601 -6.329 -8.208 41 HE1 PHE 5 2HE PHE 5 6.979 -4.387 -4.379 42 HE2 PHE 5 1HE PHE 5 6.986 -5.778 -8.405 43 HZ PHE 5 HZ PHE 5 8.184 -4.805 -6.491 44 H GLY 6 H GLY 6 2.799 -2.365 -5.914 45 HA2 GLY 6 2HA GLY 6 3.725 -1.121 -7.723 46 HA3 GLY 6 1HA GLY 6 2.824 -2.142 -8.836 47 H TRP 7 H TRP 7 0.596 -1.644 -6.552 48 HA TRP 7 HA TRP 7 -0.645 0.430 -8.138 49 HB2 TRP 7 2HB TRP 7 -1.607 -1.139 -5.744 50 HB3 TRP 7 1HB TRP 7 -2.535 0.148 -6.511 51 HD1 TRP 7 HD TRP 7 -0.629 -2.287 -8.737 52 HE1 TRP 7 1HE TRP 7 -2.310 -3.783 -9.966 53 HE3 TRP 7 3HE TRP 7 -4.877 -0.902 -6.284 54 HZ2 TRP 7 2HZ TRP 7 -5.087 -4.304 -9.902 55 HZ3 TRP 7 3HZ TRP 7 -7.005 -1.951 -6.925 56 HH2 TRP 7 HH TRP 7 -7.107 -3.609 -8.692 57 H LYS 8 H LYS 8 -1.045 2.466 -7.461 58 HA LYS 8 HA LYS 8 0.807 3.412 -5.523 59 HB2 LYS 8 2HB LYS 8 -1.207 4.864 -7.161 60 HB3 LYS 8 1HB LYS 8 -0.211 5.665 -5.957 61 HG2 LYS 8 2HG LYS 8 1.755 4.596 -7.257 62 HG3 LYS 8 1HG LYS 8 0.564 4.444 -8.558 63 HD2 LYS 8 2HD LYS 8 0.061 6.820 -8.371 64 HD3 LYS 8 1HD LYS 8 1.227 6.917 -7.047 65 HE2 LYS 8 2HE LYS 8 3.012 6.208 -8.611 66 HE3 LYS 8 1HE LYS 8 1.830 6.230 -9.918 67 HZ1 LYS 8 3HZ LYS 8 3.114 8.234 -9.897 68 HZ2 LYS 8 1HZ LYS 8 2.684 8.568 -8.310 69 HZ3 LYS 8 2HZ LYS 8 1.520 8.613 -9.533 70 H CYS 9 H CYS 9 0.382 4.813 -3.803 71 HA CYS 9 HA CYS 9 -2.171 4.712 -2.495 72 HB2 CYS 9 2HB CYS 9 -1.329 3.466 -0.516 73 HB3 CYS 9 1HB CYS 9 -1.366 2.467 -1.967 74 H ASN 10 H ASN 10 -1.723 5.527 -0.119 75 HA ASN 10 HA ASN 10 0.272 7.674 -0.243 76 HB2 ASN 10 2HB ASN 10 -2.406 7.589 1.168 77 HB3 ASN 10 1HB ASN 10 -1.223 8.870 1.375 78 HD21 ASN 10 1HD2 ASN 10 -3.955 8.927 0.420 79 HD22 ASN 10 2HD2 ASN 10 -3.920 9.646 -1.143 80 HA PRO 11 HA PRO 11 2.085 5.286 3.028 81 HB2 PRO 11 2HB PRO 11 3.705 7.209 4.107 82 HB3 PRO 11 1HB PRO 11 4.074 6.357 2.603 83 HG2 PRO 11 2HG PRO 11 2.833 9.052 2.994 84 HG3 PRO 11 1HG PRO 11 4.098 8.564 1.850 85 HD2 PRO 11 2HD PRO 11 1.544 8.854 1.080 86 HD3 PRO 11 1HD PRO 11 2.576 7.578 0.399 87 H ARG 12 H ARG 12 0.092 7.882 3.491 88 HA ARG 12 HA ARG 12 0.110 8.067 6.357 89 HB2 ARG 12 2HB ARG 12 -1.707 9.110 4.231 90 HB3 ARG 12 1HB ARG 12 -1.960 9.386 5.945 91 HG2 ARG 12 2HG ARG 12 0.195 10.535 6.075 92 HG3 ARG 12 1HG ARG 12 0.468 10.214 4.360 93 HD2 ARG 12 2HD ARG 12 -1.858 11.727 5.462 94 HD3 ARG 12 1HD ARG 12 -0.382 12.500 4.869 95 HE ARG 12 HE ARG 12 -0.894 11.551 2.677 96 HH11 ARG 12 1HH1 ARG 12 -3.620 11.733 4.950 97 HH12 ARG 12 2HH1 ARG 12 -4.802 11.730 3.731 98 HH21 ARG 12 1HH2 ARG 12 -2.517 11.611 1.034 99 HH22 ARG 12 2HH2 ARG 12 -4.166 11.672 1.442 100 H ASN 13 H ASN 13 -1.556 6.216 3.932 101 HA ASN 13 HA ASN 13 -3.062 4.781 5.983 102 HB2 ASN 13 2HB ASN 13 -4.602 6.539 5.232 103 HB3 ASN 13 1HB ASN 13 -4.351 6.067 3.558 104 HD21 ASN 13 1HD2 ASN 13 -6.491 5.685 3.211 105 HD22 ASN 13 2HD2 ASN 13 -7.367 4.377 3.895 106 H ASP 14 H ASP 14 -2.027 2.897 5.625 107 HA ASP 14 HA ASP 14 -1.256 1.952 3.026 108 HB2 ASP 14 2HB ASP 14 -0.128 1.330 5.240 109 HB3 ASP 14 1HB ASP 14 -1.536 0.322 5.544 110 H LYS 15 H LYS 15 -2.500 0.912 1.644 111 HA LYS 15 HA LYS 15 -4.901 -0.475 2.626 112 HB2 LYS 15 2HB LYS 15 -4.671 1.254 0.158 113 HB3 LYS 15 1HB LYS 15 -6.064 0.264 0.553 114 HG2 LYS 15 2HG LYS 15 -5.040 2.602 2.170 115 HG3 LYS 15 1HG LYS 15 -6.427 2.638 1.087 116 HD2 LYS 15 2HD LYS 15 -6.180 0.911 3.559 117 HD3 LYS 15 1HD LYS 15 -7.057 2.433 3.454 118 HE2 LYS 15 2HE LYS 15 -7.677 -0.039 1.832 119 HE3 LYS 15 1HE LYS 15 -8.523 0.452 3.289 120 HZ1 LYS 15 3HZ LYS 15 -9.721 1.127 1.309 121 HZ2 LYS 15 1HZ LYS 15 -8.427 2.052 0.767 122 HZ3 LYS 15 2HZ LYS 15 -9.243 2.467 2.174 123 H CYS 16 H CYS 16 -2.103 -1.186 1.758 124 HA CYS 16 HA CYS 16 -2.471 -2.636 -0.705 125 HB2 CYS 16 2HB CYS 16 -0.147 -2.661 1.226 126 HB3 CYS 16 1HB CYS 16 -0.136 -3.253 -0.428 127 H CYS 17 H CYS 17 -2.061 -4.975 -0.807 128 HA CYS 17 HA CYS 17 -3.658 -6.442 0.980 129 HB2 CYS 17 2HB CYS 17 -1.585 -7.479 -0.960 130 HB3 CYS 17 1HB CYS 17 -2.894 -8.415 -0.248 131 H SER 18 H SER 18 -2.883 -8.475 2.124 132 HA SER 18 HA SER 18 -1.003 -7.744 4.085 133 HB2 SER 18 2HB SER 18 -2.319 -10.408 3.510 134 HB3 SER 18 1HB SER 18 -1.480 -9.993 5.005 135 HG SER 18 HG SER 18 -3.465 -8.268 4.117 136 H GLY 19 H GLY 19 1.109 -8.084 4.133 137 HA2 GLY 19 2HA GLY 19 3.128 -9.249 3.673 138 HA3 GLY 19 1HA GLY 19 2.340 -10.009 2.291 139 H LEU 20 H LEU 20 1.376 -6.919 2.266 140 HA LEU 20 HA LEU 20 3.538 -6.035 0.498 141 HB2 LEU 20 2HB LEU 20 1.137 -6.870 -0.311 142 HB3 LEU 20 1HB LEU 20 0.678 -5.262 0.183 143 HG LEU 20 HG LEU 20 2.321 -4.347 -1.442 144 HD11 LEU 20 1HD1 LEU 20 3.825 -6.266 -1.503 145 HD12 LEU 20 2HD1 LEU 20 3.213 -5.919 -3.124 146 HD13 LEU 20 3HD1 LEU 20 2.545 -7.259 -2.186 147 HD21 LEU 20 3HD2 LEU 20 0.290 -6.274 -2.532 148 HD22 LEU 20 1HD2 LEU 20 0.997 -4.914 -3.394 149 HD23 LEU 20 2HD2 LEU 20 -0.041 -4.628 -1.997 150 H LYS 21 H LYS 21 3.782 -3.656 0.611 151 HA LYS 21 HA LYS 21 2.426 -2.391 2.896 152 HB2 LYS 21 2HB LYS 21 4.685 -3.229 3.594 153 HB3 LYS 21 1HB LYS 21 5.367 -2.215 2.333 154 HG2 LYS 21 2HG LYS 21 4.403 -0.227 3.411 155 HG3 LYS 21 1HG LYS 21 3.836 -1.242 4.731 156 HD2 LYS 21 2HD LYS 21 6.141 -1.846 5.258 157 HD3 LYS 21 1HD LYS 21 6.713 -0.858 3.910 158 HE2 LYS 21 2HE LYS 21 5.205 0.139 6.331 159 HE3 LYS 21 1HE LYS 21 6.926 0.344 6.027 160 HZ1 LYS 21 3HZ LYS 21 4.760 1.483 4.312 161 HZ2 LYS 21 1HZ LYS 21 6.413 1.684 4.104 162 HZ3 LYS 21 2HZ LYS 21 5.661 2.336 5.447 163 H CYS 22 H CYS 22 2.084 -0.269 2.620 164 HA CYS 22 HA CYS 22 2.447 0.883 0.014 165 HB2 CYS 22 2HB CYS 22 0.498 1.430 1.478 166 HB3 CYS 22 1HB CYS 22 1.601 2.218 2.602 167 H GLY 23 H GLY 23 4.212 1.907 -0.652 168 HA2 GLY 23 2HA GLY 23 6.490 2.022 1.053 169 HA3 GLY 23 1HA GLY 23 6.409 2.506 -0.630 170 H SER 24 H SER 24 7.777 3.759 1.534 171 HA SER 24 HA SER 24 6.370 6.218 2.056 172 HB2 SER 24 2HB SER 24 8.567 6.527 3.391 173 HB3 SER 24 1HB SER 24 7.395 5.329 3.951 174 HG SER 24 HG SER 24 9.870 4.864 3.462 175 H ASN 25 H ASN 25 9.343 5.033 0.550 176 HA ASN 25 HA ASN 25 9.995 7.631 -0.548 177 HB2 ASN 25 2HB ASN 25 11.277 4.916 -0.947 178 HB3 ASN 25 1HB ASN 25 11.859 6.387 -1.708 179 HD21 ASN 25 1HD2 ASN 25 13.081 4.555 0.249 180 HD22 ASN 25 2HD2 ASN 25 13.558 5.538 1.576 181 H HIS 26 H HIS 26 8.655 4.619 -1.597 182 HA HIS 26 HA HIS 26 7.880 5.889 -4.141 183 HB2 HIS 26 2HB HIS 26 8.216 2.924 -3.550 184 HB3 HIS 26 1HB HIS 26 7.699 3.577 -5.073 185 HD1 HIS 26 1HD HIS 26 9.574 4.631 -6.613 186 HD2 HIS 26 2HD HIS 26 10.856 2.984 -3.044 187 HE1 HIS 26 1HE HIS 26 12.069 4.394 -6.832 188 H ASN 27 H ASN 27 5.834 6.555 -3.788 189 HA ASN 27 HA ASN 27 4.315 5.321 -1.701 190 HB2 ASN 27 2HB ASN 27 3.619 7.662 -3.475 191 HB3 ASN 27 1HB ASN 27 2.613 7.081 -2.155 192 HD21 ASN 27 1HD2 ASN 27 4.921 6.473 -0.410 193 HD22 ASN 27 2HD2 ASN 27 5.535 7.999 0.091 194 H TRP 28 H TRP 28 4.437 3.361 -2.927 195 HA TRP 28 HA TRP 28 1.823 2.838 -3.900 196 HB2 TRP 28 2HB TRP 28 2.626 1.529 -5.895 197 HB3 TRP 28 1HB TRP 28 2.926 3.237 -6.016 198 HD1 TRP 28 HD TRP 28 5.208 0.537 -4.378 199 HE1 TRP 28 1HE TRP 28 7.484 0.658 -5.552 200 HE3 TRP 28 3HE TRP 28 4.114 4.043 -7.847 201 HZ2 TRP 28 2HZ TRP 28 8.645 2.002 -7.594 202 HZ3 TRP 28 3HZ TRP 28 5.888 4.722 -9.443 203 HH2 TRP 28 HH TRP 28 8.122 3.721 -9.328 204 H CYS 29 H CYS 29 1.629 0.471 -4.150 205 HA CYS 29 HA CYS 29 2.434 -0.723 -1.722 206 HB2 CYS 29 2HB CYS 29 0.985 -1.719 -4.125 207 HB3 CYS 29 1HB CYS 29 1.183 -2.714 -2.705 208 H LYS 30 H LYS 30 4.352 -1.365 -1.400 209 HA LYS 30 HA LYS 30 5.924 -2.757 -3.459 210 HB2 LYS 30 2HB LYS 30 6.777 -1.471 -0.858 211 HB3 LYS 30 1HB LYS 30 7.853 -2.192 -2.032 212 HG2 LYS 30 2HG LYS 30 7.303 -0.416 -3.634 213 HG3 LYS 30 1HG LYS 30 6.152 0.251 -2.480 214 HD2 LYS 30 2HD LYS 30 8.016 1.583 -2.158 215 HD3 LYS 30 1HD LYS 30 8.155 0.387 -0.889 216 HE2 LYS 30 2HE LYS 30 9.630 0.286 -3.526 217 HE3 LYS 30 1HE LYS 30 10.299 0.888 -2.026 218 HZ1 LYS 30 3HZ LYS 30 10.039 -1.378 -1.085 219 HZ2 LYS 30 1HZ LYS 30 11.046 -1.317 -2.421 220 HZ3 LYS 30 2HZ LYS 30 9.507 -1.932 -2.595 221 H LEU 31 H LEU 31 7.419 -4.408 -2.215 222 HA LEU 31 HA LEU 31 5.725 -6.252 -0.834 223 HB2 LEU 31 2HB LEU 31 8.714 -6.259 -1.251 224 HB3 LEU 31 1HB LEU 31 7.766 -7.612 -0.674 225 HG LEU 31 HG LEU 31 7.509 -6.378 -3.417 226 HD11 LEU 31 1HD1 LEU 31 8.613 -8.408 -4.205 227 HD12 LEU 31 2HD1 LEU 31 8.870 -8.911 -2.533 228 HD13 LEU 31 3HD1 LEU 31 9.654 -7.458 -3.150 229 HD21 LEU 31 3HD2 LEU 31 6.190 -8.381 -3.924 230 HD22 LEU 31 1HD2 LEU 31 5.439 -7.420 -2.650 231 HD23 LEU 31 2HD2 LEU 31 6.322 -8.892 -2.242 232 H HIS 32 H HIS 32 5.724 -6.762 1.331 233 HA HIS 32 HA HIS 32 6.892 -4.770 3.119 234 HB2 HIS 32 2HB HIS 32 4.485 -5.558 3.343 235 HB3 HIS 32 1HB HIS 32 5.109 -7.138 3.785 236 HD1 HIS 32 1HD HIS 32 6.464 -7.196 6.188 237 HD2 HIS 32 2HD HIS 32 4.226 -3.782 5.375 238 HE1 HIS 32 1HE HIS 32 6.194 -5.994 8.367 239 H LEU 33 H LEU 33 8.891 -5.174 3.837 240 HA LEU 33 HA LEU 33 9.701 -7.965 4.282 241 HB2 LEU 33 2HB LEU 33 11.407 -5.624 3.414 242 HB3 LEU 33 1HB LEU 33 12.089 -7.083 4.077 243 HG LEU 33 HG LEU 33 11.088 -8.331 2.126 244 HD11 LEU 33 1HD1 LEU 33 10.633 -5.566 1.039 245 HD12 LEU 33 2HD1 LEU 33 9.381 -6.725 1.482 246 HD13 LEU 33 3HD1 LEU 33 10.476 -7.078 0.146 247 HD21 LEU 33 3HD2 LEU 33 13.062 -6.150 1.536 248 HD22 LEU 33 1HD2 LEU 33 12.823 -7.605 0.572 249 HD23 LEU 33 2HD2 LEU 33 13.424 -7.732 2.225 Start of MODEL 6 1 H1 ASP 1 1HT ASP 1 -12.130 -5.382 -1.739 2 H2 ASP 1 2HT ASP 1 -11.413 -3.889 -2.119 3 H3 ASP 1 3HT ASP 1 -11.135 -4.588 -0.630 4 HA ASP 1 HA ASP 1 -9.936 -6.361 -1.581 5 HB2 ASP 1 2HB ASP 1 -9.360 -6.318 -4.005 6 HB3 ASP 1 1HB ASP 1 -11.085 -6.537 -3.741 7 H CYS 2 H CYS 2 -7.689 -6.153 -1.832 8 HA CYS 2 HA CYS 2 -6.765 -3.598 -0.862 9 HB2 CYS 2 2HB CYS 2 -4.632 -4.890 -0.573 10 HB3 CYS 2 1HB CYS 2 -6.010 -5.479 0.348 11 H LEU 3 H LEU 3 -4.679 -2.743 -1.604 12 HA LEU 3 HA LEU 3 -4.625 -2.531 -4.476 13 HB2 LEU 3 2HB LEU 3 -2.755 -1.354 -2.415 14 HB3 LEU 3 1HB LEU 3 -2.867 -0.913 -4.101 15 HG LEU 3 HG LEU 3 -5.053 -0.500 -2.091 16 HD11 LEU 3 1HD1 LEU 3 -4.410 1.873 -2.216 17 HD12 LEU 3 2HD1 LEU 3 -3.027 1.428 -3.223 18 HD13 LEU 3 3HD1 LEU 3 -3.133 0.852 -1.554 19 HD21 LEU 3 3HD2 LEU 3 -5.852 -0.729 -4.388 20 HD22 LEU 3 1HD2 LEU 3 -4.707 0.502 -4.917 21 HD23 LEU 3 2HD2 LEU 3 -6.029 0.936 -3.829 22 H LYS 4 H LYS 4 -3.093 -3.345 -5.752 23 HA LYS 4 HA LYS 4 -1.605 -5.600 -4.683 24 HB2 LYS 4 2HB LYS 4 -2.197 -4.722 -7.492 25 HB3 LYS 4 1HB LYS 4 -1.235 -6.131 -7.090 26 HG2 LYS 4 2HG LYS 4 -3.144 -7.133 -5.945 27 HG3 LYS 4 1HG LYS 4 -4.115 -5.707 -6.310 28 HD2 LYS 4 2HD LYS 4 -4.580 -7.537 -7.872 29 HD3 LYS 4 1HD LYS 4 -3.883 -6.136 -8.688 30 HE2 LYS 4 2HE LYS 4 -2.932 -8.250 -9.504 31 HE3 LYS 4 1HE LYS 4 -1.714 -7.220 -8.766 32 HZ1 LYS 4 3HZ LYS 4 -1.872 -8.594 -6.752 33 HZ2 LYS 4 1HZ LYS 4 -1.451 -9.501 -8.102 34 HZ3 LYS 4 2HZ LYS 4 -3.010 -9.585 -7.517 35 H PHE 5 H PHE 5 0.469 -5.967 -6.189 36 HA PHE 5 HA PHE 5 2.381 -4.154 -5.180 37 HB2 PHE 5 2HB PHE 5 2.868 -6.540 -5.649 38 HB3 PHE 5 1HB PHE 5 2.724 -6.213 -7.371 39 HD1 PHE 5 1HD PHE 5 4.673 -5.409 -4.357 40 HD2 PHE 5 2HD PHE 5 4.563 -5.377 -8.601 41 HE1 PHE 5 1HE PHE 5 7.044 -4.833 -4.403 42 HE2 PHE 5 2HE PHE 5 6.953 -4.796 -8.659 43 HZ PHE 5 HZ PHE 5 8.201 -4.527 -6.550 44 H GLY 6 H GLY 6 3.095 -2.312 -5.936 45 HA2 GLY 6 2HA GLY 6 3.849 -0.801 -7.546 46 HA3 GLY 6 1HA GLY 6 3.092 -1.788 -8.790 47 H TRP 7 H TRP 7 0.775 -1.541 -6.509 48 HA TRP 7 HA TRP 7 -0.572 0.424 -8.095 49 HB2 TRP 7 2HB TRP 7 -1.469 -1.285 -5.771 50 HB3 TRP 7 1HB TRP 7 -2.501 -0.031 -6.452 51 HD1 TRP 7 HD TRP 7 -0.355 -2.282 -8.717 52 HE1 TRP 7 1HE TRP 7 -1.910 -3.758 -10.144 53 HE3 TRP 7 3HE TRP 7 -4.817 -1.130 -6.506 54 HZ2 TRP 7 2HZ TRP 7 -4.656 -4.358 -10.302 55 HZ3 TRP 7 3HZ TRP 7 -6.855 -2.215 -7.351 56 HH2 TRP 7 HH TRP 7 -6.776 -3.789 -9.206 57 H LYS 8 H LYS 8 -1.340 2.356 -7.363 58 HA LYS 8 HA LYS 8 0.597 3.626 -5.662 59 HB2 LYS 8 2HB LYS 8 -1.726 4.844 -7.134 60 HB3 LYS 8 1HB LYS 8 -0.353 5.696 -6.444 61 HG2 LYS 8 2HG LYS 8 -0.287 3.744 -8.725 62 HG3 LYS 8 1HG LYS 8 -0.094 5.494 -8.844 63 HD2 LYS 8 2HD LYS 8 1.980 5.317 -7.501 64 HD3 LYS 8 1HD LYS 8 1.736 3.573 -7.413 65 HE2 LYS 8 2HE LYS 8 2.103 5.132 -9.956 66 HE3 LYS 8 1HE LYS 8 3.371 4.217 -9.150 67 HZ1 LYS 8 3HZ LYS 8 0.871 3.116 -10.340 68 HZ2 LYS 8 1HZ LYS 8 2.004 2.180 -9.501 69 HZ3 LYS 8 2HZ LYS 8 2.431 2.945 -10.928 70 H CYS 9 H CYS 9 0.315 4.427 -3.718 71 HA CYS 9 HA CYS 9 -2.346 4.356 -2.535 72 HB2 CYS 9 2HB CYS 9 -1.313 3.360 -0.494 73 HB3 CYS 9 1HB CYS 9 -1.281 2.283 -1.888 74 H ASN 10 H ASN 10 -2.125 5.419 -0.268 75 HA ASN 10 HA ASN 10 -0.426 7.787 -0.473 76 HB2 ASN 10 2HB ASN 10 -2.964 7.333 1.160 77 HB3 ASN 10 1HB ASN 10 -1.979 8.789 1.201 78 HD21 ASN 10 1HD2 ASN 10 -4.812 8.418 0.467 79 HD22 ASN 10 2HD2 ASN 10 -4.936 9.052 -1.130 80 HA PRO 11 HA PRO 11 2.004 5.284 2.334 81 HB2 PRO 11 2HB PRO 11 3.722 7.287 3.125 82 HB3 PRO 11 1HB PRO 11 3.868 6.344 1.633 83 HG2 PRO 11 2HG PRO 11 2.601 9.021 2.058 84 HG3 PRO 11 1HG PRO 11 3.730 8.522 0.775 85 HD2 PRO 11 2HD PRO 11 1.159 8.706 0.296 86 HD3 PRO 11 1HD PRO 11 2.060 7.308 -0.338 87 H ARG 12 H ARG 12 0.062 7.794 3.384 88 HA ARG 12 HA ARG 12 0.822 7.709 6.181 89 HB2 ARG 12 2HB ARG 12 -1.563 8.924 4.827 90 HB3 ARG 12 1HB ARG 12 -1.146 9.139 6.512 91 HG2 ARG 12 2HG ARG 12 0.521 10.006 4.151 92 HG3 ARG 12 1HG ARG 12 -0.501 11.071 5.116 93 HD2 ARG 12 2HD ARG 12 0.902 10.673 7.063 94 HD3 ARG 12 1HD ARG 12 1.876 9.514 6.154 95 HE ARG 12 HE ARG 12 1.932 11.836 4.706 96 HH11 ARG 12 1HH1 ARG 12 2.997 10.874 7.926 97 HH12 ARG 12 2HH1 ARG 12 4.253 12.013 8.020 98 HH21 ARG 12 1HH2 ARG 12 3.703 13.332 4.783 99 HH22 ARG 12 2HH2 ARG 12 4.665 13.466 6.168 100 H ASN 13 H ASN 13 -1.535 6.233 4.085 101 HA ASN 13 HA ASN 13 -2.363 4.537 6.281 102 HB2 ASN 13 2HB ASN 13 -4.722 4.589 5.621 103 HB3 ASN 13 1HB ASN 13 -4.184 6.217 5.988 104 HD21 ASN 13 1HD2 ASN 13 -4.135 7.738 4.309 105 HD22 ASN 13 2HD2 ASN 13 -4.894 7.442 2.790 106 H ASP 14 H ASP 14 -2.148 2.537 5.787 107 HA ASP 14 HA ASP 14 -1.293 1.790 3.120 108 HB2 ASP 14 2HB ASP 14 -0.259 0.908 5.254 109 HB3 ASP 14 1HB ASP 14 -1.725 -0.031 5.481 110 H LYS 15 H LYS 15 -2.515 0.852 1.634 111 HA LYS 15 HA LYS 15 -5.032 -0.433 2.432 112 HB2 LYS 15 2HB LYS 15 -4.590 1.417 0.083 113 HB3 LYS 15 1HB LYS 15 -6.011 0.408 0.256 114 HG2 LYS 15 2HG LYS 15 -5.162 2.618 2.132 115 HG3 LYS 15 1HG LYS 15 -6.440 2.726 0.922 116 HD2 LYS 15 2HD LYS 15 -6.402 0.846 3.288 117 HD3 LYS 15 1HD LYS 15 -7.318 2.346 3.193 118 HE2 LYS 15 2HE LYS 15 -8.608 1.446 1.307 119 HE3 LYS 15 1HE LYS 15 -7.667 -0.043 1.376 120 HZ1 LYS 15 3HZ LYS 15 -9.461 0.969 3.511 121 HZ2 LYS 15 1HZ LYS 15 -8.534 -0.433 3.600 122 HZ3 LYS 15 2HZ LYS 15 -9.777 -0.321 2.476 123 H CYS 16 H CYS 16 -2.214 -1.192 1.653 124 HA CYS 16 HA CYS 16 -2.512 -2.599 -0.843 125 HB2 CYS 16 2HB CYS 16 -0.274 -2.718 1.194 126 HB3 CYS 16 1HB CYS 16 -0.188 -3.212 -0.491 127 H CYS 17 H CYS 17 -1.924 -5.020 -0.801 128 HA CYS 17 HA CYS 17 -3.656 -6.401 0.949 129 HB2 CYS 17 2HB CYS 17 -1.437 -7.519 -0.764 130 HB3 CYS 17 1HB CYS 17 -2.815 -8.403 -0.109 131 H SER 18 H SER 18 -3.002 -8.159 2.444 132 HA SER 18 HA SER 18 -1.053 -7.315 4.290 133 HB2 SER 18 2HB SER 18 -3.077 -8.693 4.876 134 HB3 SER 18 1HB SER 18 -2.331 -10.064 4.060 135 HG SER 18 HG SER 18 -1.117 -10.393 5.735 136 H GLY 19 H GLY 19 1.081 -7.712 4.329 137 HA2 GLY 19 2HA GLY 19 3.028 -9.060 3.961 138 HA3 GLY 19 1HA GLY 19 2.187 -9.845 2.622 139 H LEU 20 H LEU 20 1.214 -6.951 2.143 140 HA LEU 20 HA LEU 20 3.483 -6.086 0.524 141 HB2 LEU 20 2HB LEU 20 1.172 -6.919 -0.438 142 HB3 LEU 20 1HB LEU 20 0.604 -5.362 0.112 143 HG LEU 20 HG LEU 20 2.349 -4.308 -1.344 144 HD11 LEU 20 1HD1 LEU 20 3.243 -5.748 -3.124 145 HD12 LEU 20 2HD1 LEU 20 2.593 -7.155 -2.263 146 HD13 LEU 20 3HD1 LEU 20 3.846 -6.166 -1.518 147 HD21 LEU 20 3HD2 LEU 20 0.327 -6.093 -2.667 148 HD22 LEU 20 1HD2 LEU 20 1.128 -4.710 -3.398 149 HD23 LEU 20 2HD2 LEU 20 0.021 -4.474 -2.042 150 H LYS 21 H LYS 21 3.816 -3.753 0.669 151 HA LYS 21 HA LYS 21 2.287 -2.451 2.785 152 HB2 LYS 21 2HB LYS 21 4.232 -3.485 3.801 153 HB3 LYS 21 1HB LYS 21 5.280 -2.602 2.680 154 HG2 LYS 21 2HG LYS 21 4.509 -0.506 3.692 155 HG3 LYS 21 1HG LYS 21 3.510 -1.445 4.808 156 HD2 LYS 21 2HD LYS 21 5.538 -2.560 5.646 157 HD3 LYS 21 1HD LYS 21 6.512 -1.542 4.584 158 HE2 LYS 21 2HE LYS 21 6.485 -0.638 6.840 159 HE3 LYS 21 1HE LYS 21 5.663 0.442 5.721 160 HZ1 LYS 21 3HZ LYS 21 3.540 -0.430 6.501 161 HZ2 LYS 21 1HZ LYS 21 4.438 0.188 7.780 162 HZ3 LYS 21 2HZ LYS 21 4.322 -1.468 7.557 163 H CYS 22 H CYS 22 2.006 -0.431 2.502 164 HA CYS 22 HA CYS 22 2.735 0.881 0.043 165 HB2 CYS 22 2HB CYS 22 0.541 1.243 1.188 166 HB3 CYS 22 1HB CYS 22 1.391 1.972 2.540 167 H GLY 23 H GLY 23 4.682 1.745 -0.205 168 HA2 GLY 23 2HA GLY 23 6.467 2.053 2.014 169 HA3 GLY 23 1HA GLY 23 6.849 2.488 0.364 170 H SER 24 H SER 24 7.269 3.830 2.921 171 HA SER 24 HA SER 24 5.554 6.137 2.844 172 HB2 SER 24 2HB SER 24 7.086 6.899 4.739 173 HB3 SER 24 1HB SER 24 6.128 5.446 5.024 174 HG SER 24 HG SER 24 7.865 4.308 5.132 175 H ASN 25 H ASN 25 8.775 5.272 1.848 176 HA ASN 25 HA ASN 25 9.440 8.001 1.081 177 HB2 ASN 25 2HB ASN 25 11.207 6.397 1.870 178 HB3 ASN 25 1HB ASN 25 10.903 5.413 0.448 179 HD21 ASN 25 1HD2 ASN 25 12.222 8.406 1.622 180 HD22 ASN 25 2HD2 ASN 25 13.146 8.792 0.227 181 H HIS 26 H HIS 26 7.768 5.418 -0.106 182 HA HIS 26 HA HIS 26 7.992 6.240 -2.916 183 HB2 HIS 26 2HB HIS 26 6.922 3.677 -1.704 184 HB3 HIS 26 1HB HIS 26 6.971 4.023 -3.415 185 HD1 HIS 26 1HD HIS 26 9.456 4.055 -4.511 186 HD2 HIS 26 2HD HIS 26 9.117 2.627 -0.637 187 HE1 HIS 26 1HE HIS 26 11.544 2.709 -4.087 188 H ASN 27 H ASN 27 5.653 5.461 -3.913 189 HA ASN 27 HA ASN 27 3.503 6.358 -2.140 190 HB2 ASN 27 2HB ASN 27 4.037 7.434 -4.923 191 HB3 ASN 27 1HB ASN 27 2.497 7.606 -4.086 192 HD21 ASN 27 1HD2 ASN 27 2.351 8.954 -2.344 193 HD22 ASN 27 2HD2 ASN 27 3.574 10.107 -1.951 194 H TRP 28 H TRP 28 4.412 3.795 -3.044 195 HA TRP 28 HA TRP 28 1.982 2.841 -4.257 196 HB2 TRP 28 2HB TRP 28 3.249 1.366 -5.853 197 HB3 TRP 28 1HB TRP 28 3.339 3.077 -6.233 198 HD1 TRP 28 HD TRP 28 5.633 1.635 -3.559 199 HE1 TRP 28 1HE TRP 28 8.033 1.681 -4.395 200 HE3 TRP 28 3HE TRP 28 4.805 2.957 -8.419 201 HZ2 TRP 28 2HZ TRP 28 9.408 2.124 -6.699 202 HZ3 TRP 28 3HZ TRP 28 6.765 3.159 -9.901 203 HH2 TRP 28 HH TRP 28 9.028 2.751 -9.061 204 H CYS 29 H CYS 29 1.918 0.496 -4.235 205 HA CYS 29 HA CYS 29 2.626 -0.567 -1.656 206 HB2 CYS 29 2HB CYS 29 1.109 -1.553 -4.024 207 HB3 CYS 29 1HB CYS 29 1.277 -2.560 -2.622 208 H LYS 30 H LYS 30 4.523 -1.598 -1.292 209 HA LYS 30 HA LYS 30 5.680 -3.242 -3.439 210 HB2 LYS 30 2HB LYS 30 7.118 -1.555 -1.395 211 HB3 LYS 30 1HB LYS 30 7.916 -2.847 -2.277 212 HG2 LYS 30 2HG LYS 30 7.369 -1.742 -4.377 213 HG3 LYS 30 1HG LYS 30 6.577 -0.453 -3.476 214 HD2 LYS 30 2HD LYS 30 8.823 0.213 -4.188 215 HD3 LYS 30 1HD LYS 30 8.719 0.142 -2.430 216 HE2 LYS 30 2HE LYS 30 10.795 -0.723 -3.390 217 HE3 LYS 30 1HE LYS 30 9.945 -1.948 -2.431 218 HZ1 LYS 30 3HZ LYS 30 9.178 -2.919 -4.535 219 HZ2 LYS 30 1HZ LYS 30 10.844 -2.835 -4.505 220 HZ3 LYS 30 2HZ LYS 30 9.976 -1.732 -5.412 221 H LEU 31 H LEU 31 7.303 -4.885 -2.417 222 HA LEU 31 HA LEU 31 5.730 -6.598 -0.758 223 HB2 LEU 31 2HB LEU 31 8.582 -6.794 -1.715 224 HB3 LEU 31 1HB LEU 31 7.725 -8.064 -0.872 225 HG LEU 31 HG LEU 31 6.888 -6.964 -3.556 226 HD11 LEU 31 1HD1 LEU 31 9.058 -8.049 -3.722 227 HD12 LEU 31 2HD1 LEU 31 7.805 -9.037 -4.471 228 HD13 LEU 31 3HD1 LEU 31 8.433 -9.466 -2.878 229 HD21 LEU 31 3HD2 LEU 31 6.036 -9.384 -1.973 230 HD22 LEU 31 1HD2 LEU 31 5.539 -9.017 -3.624 231 HD23 LEU 31 2HD2 LEU 31 5.064 -7.948 -2.308 232 H HIS 32 H HIS 32 5.893 -6.955 1.392 233 HA HIS 32 HA HIS 32 7.912 -5.404 2.814 234 HB2 HIS 32 2HB HIS 32 5.588 -4.944 3.469 235 HB3 HIS 32 1HB HIS 32 5.335 -6.650 3.816 236 HD1 HIS 32 1HD HIS 32 5.661 -7.271 6.219 237 HD2 HIS 32 2HD HIS 32 7.714 -3.818 5.199 238 HE1 HIS 32 1HE HIS 32 6.705 -6.423 8.350 239 H LEU 33 H LEU 33 9.617 -6.498 3.470 240 HA LEU 33 HA LEU 33 9.567 -9.356 3.494 241 HB2 LEU 33 2HB LEU 33 11.549 -8.124 2.694 242 HB3 LEU 33 1HB LEU 33 11.751 -7.413 4.278 243 HG LEU 33 HG LEU 33 12.187 -9.672 5.205 244 HD11 LEU 33 1HD1 LEU 33 12.086 -10.532 2.323 245 HD12 LEU 33 2HD1 LEU 33 10.982 -11.025 3.610 246 HD13 LEU 33 3HD1 LEU 33 12.676 -11.507 3.664 247 HD21 LEU 33 3HD2 LEU 33 14.425 -9.917 4.241 248 HD22 LEU 33 1HD2 LEU 33 14.038 -8.226 4.562 249 HD23 LEU 33 2HD2 LEU 33 13.968 -8.850 2.913 Start of MODEL 7 1 H1 ASP 1 1HT ASP 1 -12.203 -4.819 -2.222 2 H2 ASP 1 2HT ASP 1 -11.222 -3.481 -2.635 3 H3 ASP 1 3HT ASP 1 -11.351 -3.956 -1.043 4 HA ASP 1 HA ASP 1 -10.210 -5.956 -1.433 5 HB2 ASP 1 2HB ASP 1 -10.988 -6.272 -3.809 6 HB3 ASP 1 1HB ASP 1 -9.942 -4.937 -4.278 7 H CYS 2 H CYS 2 -7.825 -5.941 -1.741 8 HA CYS 2 HA CYS 2 -6.853 -3.419 -0.667 9 HB2 CYS 2 2HB CYS 2 -4.808 -4.807 -0.207 10 HB3 CYS 2 1HB CYS 2 -6.279 -5.348 0.599 11 H LEU 3 H LEU 3 -4.752 -2.592 -1.396 12 HA LEU 3 HA LEU 3 -4.676 -2.398 -4.256 13 HB2 LEU 3 2HB LEU 3 -2.732 -1.277 -2.232 14 HB3 LEU 3 1HB LEU 3 -2.904 -0.799 -3.903 15 HG LEU 3 HG LEU 3 -4.982 -0.425 -1.785 16 HD11 LEU 3 1HD1 LEU 3 -3.082 1.552 -3.052 17 HD12 LEU 3 2HD1 LEU 3 -3.037 0.986 -1.382 18 HD13 LEU 3 3HD1 LEU 3 -4.390 1.968 -1.946 19 HD21 LEU 3 3HD2 LEU 3 -6.107 0.987 -3.436 20 HD22 LEU 3 1HD2 LEU 3 -5.916 -0.665 -4.030 21 HD23 LEU 3 2HD2 LEU 3 -4.844 0.611 -4.609 22 H LYS 4 H LYS 4 -3.158 -3.207 -5.577 23 HA LYS 4 HA LYS 4 -1.684 -5.508 -4.570 24 HB2 LYS 4 2HB LYS 4 -2.298 -4.568 -7.357 25 HB3 LYS 4 1HB LYS 4 -1.279 -5.953 -7.015 26 HG2 LYS 4 2HG LYS 4 -3.152 -7.042 -5.896 27 HG3 LYS 4 1HG LYS 4 -4.170 -5.643 -6.257 28 HD2 LYS 4 2HD LYS 4 -3.924 -6.007 -8.617 29 HD3 LYS 4 1HD LYS 4 -2.760 -7.302 -8.340 30 HE2 LYS 4 2HE LYS 4 -4.962 -8.204 -8.878 31 HE3 LYS 4 1HE LYS 4 -4.491 -8.619 -7.235 32 HZ1 LYS 4 3HZ LYS 4 -5.886 -6.812 -6.430 33 HZ2 LYS 4 1HZ LYS 4 -6.762 -7.929 -7.331 34 HZ3 LYS 4 2HZ LYS 4 -6.361 -6.446 -8.009 35 H PHE 5 H PHE 5 0.421 -5.905 -5.881 36 HA PHE 5 HA PHE 5 2.305 -4.051 -4.959 37 HB2 PHE 5 2HB PHE 5 2.757 -6.446 -5.242 38 HB3 PHE 5 1HB PHE 5 2.576 -6.281 -6.981 39 HD1 PHE 5 1HD PHE 5 4.589 -5.018 -4.131 40 HD2 PHE 5 2HD PHE 5 4.445 -5.906 -8.276 41 HE1 PHE 5 1HE PHE 5 6.997 -4.587 -4.299 42 HE2 PHE 5 2HE PHE 5 6.837 -5.475 -8.458 43 HZ PHE 5 HZ PHE 5 8.134 -4.808 -6.471 44 H GLY 6 H GLY 6 3.034 -2.276 -5.832 45 HA2 GLY 6 2HA GLY 6 3.777 -0.874 -7.548 46 HA3 GLY 6 1HA GLY 6 2.944 -1.893 -8.716 47 H TRP 7 H TRP 7 0.703 -1.443 -6.370 48 HA TRP 7 HA TRP 7 -0.581 0.546 -7.992 49 HB2 TRP 7 2HB TRP 7 -1.500 -1.066 -5.620 50 HB3 TRP 7 1HB TRP 7 -2.476 0.246 -6.267 51 HD1 TRP 7 HD TRP 7 -0.578 -2.196 -8.557 52 HE1 TRP 7 1HE TRP 7 -2.334 -3.589 -9.899 53 HE3 TRP 7 3HE TRP 7 -4.840 -0.603 -6.249 54 HZ2 TRP 7 2HZ TRP 7 -5.123 -3.929 -9.946 55 HZ3 TRP 7 3HZ TRP 7 -7.001 -1.501 -6.993 56 HH2 TRP 7 HH TRP 7 -7.136 -3.129 -8.803 57 H LYS 8 H LYS 8 -1.201 2.578 -7.331 58 HA LYS 8 HA LYS 8 0.577 3.994 -5.673 59 HB2 LYS 8 2HB LYS 8 -0.660 4.994 -7.561 60 HB3 LYS 8 1HB LYS 8 -2.162 4.779 -6.672 61 HG2 LYS 8 2HG LYS 8 -1.480 7.083 -6.555 62 HG3 LYS 8 1HG LYS 8 -1.329 6.351 -4.958 63 HD2 LYS 8 2HD LYS 8 1.086 6.064 -5.333 64 HD3 LYS 8 1HD LYS 8 0.923 6.819 -6.919 65 HE2 LYS 8 2HE LYS 8 0.289 8.117 -4.273 66 HE3 LYS 8 1HE LYS 8 1.753 8.385 -5.211 67 HZ1 LYS 8 3HZ LYS 8 0.416 9.321 -6.981 68 HZ2 LYS 8 1HZ LYS 8 0.118 10.143 -5.540 69 HZ3 LYS 8 2HZ LYS 8 -0.999 9.027 -6.133 70 H CYS 9 H CYS 9 0.503 4.427 -3.573 71 HA CYS 9 HA CYS 9 -1.702 3.265 -1.992 72 HB2 CYS 9 2HB CYS 9 -0.153 3.073 -0.221 73 HB3 CYS 9 1HB CYS 9 0.723 2.575 -1.672 74 H ASN 10 H ASN 10 -2.005 4.512 0.166 75 HA ASN 10 HA ASN 10 -1.561 7.365 -0.162 76 HB2 ASN 10 2HB ASN 10 -3.691 5.910 1.455 77 HB3 ASN 10 1HB ASN 10 -3.345 7.623 1.645 78 HD21 ASN 10 1HD2 ASN 10 -5.790 6.398 0.875 79 HD22 ASN 10 2HD2 ASN 10 -6.213 7.014 -0.676 80 HA PRO 11 HA PRO 11 1.768 6.193 2.507 81 HB2 PRO 11 2HB PRO 11 2.333 8.789 3.373 82 HB3 PRO 11 1HB PRO 11 3.010 7.984 1.956 83 HG2 PRO 11 2HG PRO 11 0.726 9.889 2.144 84 HG3 PRO 11 1HG PRO 11 1.967 9.746 0.887 85 HD2 PRO 11 2HD PRO 11 -0.498 8.864 0.504 86 HD3 PRO 11 1HD PRO 11 0.891 7.954 -0.130 87 H ARG 12 H ARG 12 -0.839 8.187 3.809 88 HA ARG 12 HA ARG 12 0.057 7.639 6.514 89 HB2 ARG 12 2HB ARG 12 -2.309 9.166 5.512 90 HB3 ARG 12 1HB ARG 12 -1.901 8.946 7.199 91 HG2 ARG 12 2HG ARG 12 0.314 10.048 6.674 92 HG3 ARG 12 1HG ARG 12 -0.357 10.442 5.091 93 HD2 ARG 12 2HD ARG 12 -1.451 11.271 7.765 94 HD3 ARG 12 1HD ARG 12 -0.634 12.311 6.600 95 HE ARG 12 HE ARG 12 -2.561 11.673 5.078 96 HH11 ARG 12 1HH1 ARG 12 -2.925 11.968 8.606 97 HH12 ARG 12 2HH1 ARG 12 -4.562 12.401 8.529 98 HH21 ARG 12 1HH2 ARG 12 -4.800 12.310 5.007 99 HH22 ARG 12 2HH2 ARG 12 -5.646 12.634 6.453 100 H ASN 13 H ASN 13 -2.334 6.518 4.321 101 HA ASN 13 HA ASN 13 -3.115 4.557 6.348 102 HB2 ASN 13 2HB ASN 13 -4.943 6.271 6.129 103 HB3 ASN 13 1HB ASN 13 -5.100 5.833 4.435 104 HD21 ASN 13 1HD2 ASN 13 -7.083 5.687 6.513 105 HD22 ASN 13 2HD2 ASN 13 -7.572 4.034 6.638 106 H ASP 14 H ASP 14 -1.877 3.078 5.526 107 HA ASP 14 HA ASP 14 -1.546 2.503 2.766 108 HB2 ASP 14 2HB ASP 14 0.107 1.981 4.553 109 HB3 ASP 14 1HB ASP 14 -0.981 0.745 5.158 110 H LYS 15 H LYS 15 -2.652 1.143 1.481 111 HA LYS 15 HA LYS 15 -4.748 -0.519 2.702 112 HB2 LYS 15 2HB LYS 15 -4.969 1.136 0.188 113 HB3 LYS 15 1HB LYS 15 -6.157 -0.058 0.672 114 HG2 LYS 15 2HG LYS 15 -5.427 2.461 2.160 115 HG3 LYS 15 1HG LYS 15 -6.894 2.200 1.216 116 HD2 LYS 15 2HD LYS 15 -6.096 0.745 3.753 117 HD3 LYS 15 1HD LYS 15 -7.339 1.981 3.609 118 HE2 LYS 15 2HE LYS 15 -8.641 0.541 2.144 119 HE3 LYS 15 1HE LYS 15 -7.375 -0.682 2.202 120 HZ1 LYS 15 3HZ LYS 15 -9.026 0.246 4.478 121 HZ2 LYS 15 1HZ LYS 15 -7.762 -0.857 4.601 122 HZ3 LYS 15 2HZ LYS 15 -9.138 -1.251 3.710 123 H CYS 16 H CYS 16 -1.959 -1.006 1.660 124 HA CYS 16 HA CYS 16 -2.334 -2.507 -0.732 125 HB2 CYS 16 2HB CYS 16 -0.011 -2.554 1.204 126 HB3 CYS 16 1HB CYS 16 0.012 -3.073 -0.472 127 H CYS 17 H CYS 17 -1.973 -4.828 -0.839 128 HA CYS 17 HA CYS 17 -3.642 -6.272 0.870 129 HB2 CYS 17 2HB CYS 17 -1.588 -7.253 -1.094 130 HB3 CYS 17 1HB CYS 17 -2.809 -8.266 -0.327 131 H SER 18 H SER 18 -2.918 -8.497 1.828 132 HA SER 18 HA SER 18 -1.352 -7.968 4.083 133 HB2 SER 18 2HB SER 18 -2.238 -10.611 2.926 134 HB3 SER 18 1HB SER 18 -1.873 -10.254 4.620 135 HG SER 18 HG SER 18 -4.024 -10.094 4.502 136 H GLY 19 H GLY 19 0.834 -8.053 4.252 137 HA2 GLY 19 2HA GLY 19 2.980 -8.914 3.922 138 HA3 GLY 19 1HA GLY 19 2.356 -9.900 2.601 139 H LEU 20 H LEU 20 1.268 -6.732 2.454 140 HA LEU 20 HA LEU 20 3.375 -5.913 0.618 141 HB2 LEU 20 2HB LEU 20 1.104 -6.901 -0.271 142 HB3 LEU 20 1HB LEU 20 0.477 -5.340 0.201 143 HG LEU 20 HG LEU 20 2.210 -4.309 -1.291 144 HD11 LEU 20 1HD1 LEU 20 3.152 -5.818 -3.002 145 HD12 LEU 20 2HD1 LEU 20 2.473 -7.188 -2.094 146 HD13 LEU 20 3HD1 LEU 20 3.703 -6.171 -1.360 147 HD21 LEU 20 3HD2 LEU 20 -0.126 -4.544 -1.955 148 HD22 LEU 20 1HD2 LEU 20 0.208 -6.178 -2.529 149 HD23 LEU 20 2HD2 LEU 20 0.970 -4.798 -3.314 150 H LYS 21 H LYS 21 3.807 -3.713 0.840 151 HA LYS 21 HA LYS 21 2.055 -2.004 2.394 152 HB2 LYS 21 2HB LYS 21 3.457 -3.088 4.100 153 HB3 LYS 21 1HB LYS 21 4.896 -2.583 3.221 154 HG2 LYS 21 2HG LYS 21 4.348 -0.242 3.660 155 HG3 LYS 21 1HG LYS 21 2.908 -0.744 4.548 156 HD2 LYS 21 2HD LYS 21 4.294 -1.907 6.176 157 HD3 LYS 21 1HD LYS 21 5.743 -1.497 5.260 158 HE2 LYS 21 2HE LYS 21 5.515 -0.022 7.164 159 HE3 LYS 21 1HE LYS 21 5.312 0.886 5.673 160 HZ1 LYS 21 3HZ LYS 21 3.076 -0.104 7.350 161 HZ2 LYS 21 1HZ LYS 21 2.940 0.903 6.016 162 HZ3 LYS 21 2HZ LYS 21 3.678 1.449 7.443 163 H CYS 22 H CYS 22 2.398 0.092 1.910 164 HA CYS 22 HA CYS 22 3.683 0.680 -0.548 165 HB2 CYS 22 2HB CYS 22 1.732 1.939 0.272 166 HB3 CYS 22 1HB CYS 22 2.709 2.589 1.583 167 H GLY 23 H GLY 23 5.499 1.815 -0.989 168 HA2 GLY 23 2HA GLY 23 7.685 1.281 0.762 169 HA3 GLY 23 1HA GLY 23 7.759 2.120 -0.779 170 H SER 24 H SER 24 9.363 3.021 1.048 171 HA SER 24 HA SER 24 8.131 5.292 2.365 172 HB2 SER 24 2HB SER 24 10.530 5.411 3.291 173 HB3 SER 24 1HB SER 24 9.516 4.052 3.796 174 HG SER 24 HG SER 24 11.789 3.683 2.965 175 H ASN 25 H ASN 25 10.342 4.352 -0.156 176 HA ASN 25 HA ASN 25 10.797 7.169 -0.833 177 HB2 ASN 25 2HB ASN 25 12.297 4.694 -1.714 178 HB3 ASN 25 1HB ASN 25 12.649 6.324 -2.262 179 HD21 ASN 25 1HD2 ASN 25 12.194 7.548 0.360 180 HD22 ASN 25 2HD2 ASN 25 13.523 7.080 1.343 181 H HIS 26 H HIS 26 8.774 4.771 -1.505 182 HA HIS 26 HA HIS 26 8.222 5.812 -4.173 183 HB2 HIS 26 2HB HIS 26 8.158 2.877 -3.396 184 HB3 HIS 26 1HB HIS 26 7.472 3.496 -4.872 185 HD1 HIS 26 1HD HIS 26 9.210 4.346 -6.729 186 HD2 HIS 26 2HD HIS 26 10.802 2.507 -3.379 187 HE1 HIS 26 1HE HIS 26 11.574 3.787 -7.325 188 H ASN 27 H ASN 27 6.058 5.928 -4.623 189 HA ASN 27 HA ASN 27 4.381 5.899 -2.222 190 HB2 ASN 27 2HB ASN 27 3.928 7.199 -4.911 191 HB3 ASN 27 1HB ASN 27 2.832 7.299 -3.546 192 HD21 ASN 27 1HD2 ASN 27 5.078 7.606 -1.594 193 HD22 ASN 27 2HD2 ASN 27 5.634 9.208 -1.818 194 H TRP 28 H TRP 28 5.056 3.516 -3.743 195 HA TRP 28 HA TRP 28 2.325 2.749 -4.366 196 HB2 TRP 28 2HB TRP 28 3.082 1.232 -6.168 197 HB3 TRP 28 1HB TRP 28 3.513 2.881 -6.463 198 HD1 TRP 28 HD TRP 28 5.511 0.118 -4.558 199 HE1 TRP 28 1HE TRP 28 7.825 -0.066 -5.668 200 HE3 TRP 28 3HE TRP 28 4.869 3.502 -8.220 201 HZ2 TRP 28 2HZ TRP 28 9.184 1.055 -7.770 202 HZ3 TRP 28 3HZ TRP 28 6.756 3.924 -9.807 203 HH2 TRP 28 HH TRP 28 8.866 2.715 -9.578 204 H CYS 29 H CYS 29 1.930 0.544 -4.196 205 HA CYS 29 HA CYS 29 2.708 -0.562 -1.702 206 HB2 CYS 29 2HB CYS 29 1.170 -1.642 -4.028 207 HB3 CYS 29 1HB CYS 29 1.326 -2.544 -2.544 208 H LYS 30 H LYS 30 4.553 -1.574 -1.270 209 HA LYS 30 HA LYS 30 5.912 -3.088 -3.382 210 HB2 LYS 30 2HB LYS 30 7.041 -1.771 -0.902 211 HB3 LYS 30 1HB LYS 30 7.965 -2.734 -2.040 212 HG2 LYS 30 2HG LYS 30 7.543 -1.071 -3.790 213 HG3 LYS 30 1HG LYS 30 6.572 -0.139 -2.659 214 HD2 LYS 30 2HD LYS 30 8.678 0.926 -2.732 215 HD3 LYS 30 1HD LYS 30 8.643 0.039 -1.217 216 HE2 LYS 30 2HE LYS 30 10.001 -0.913 -3.745 217 HE3 LYS 30 1HE LYS 30 10.807 -0.061 -2.443 218 HZ1 LYS 30 3HZ LYS 30 9.637 -2.801 -2.352 219 HZ2 LYS 30 1HZ LYS 30 10.162 -1.972 -0.971 220 HZ3 LYS 30 2HZ LYS 30 11.233 -2.340 -2.179 221 H LEU 31 H LEU 31 7.318 -4.878 -2.280 222 HA LEU 31 HA LEU 31 5.539 -6.604 -0.855 223 HB2 LEU 31 2HB LEU 31 8.491 -6.901 -1.395 224 HB3 LEU 31 1HB LEU 31 7.408 -8.168 -0.864 225 HG LEU 31 HG LEU 31 7.304 -6.777 -3.543 226 HD11 LEU 31 1HD1 LEU 31 8.038 -8.911 -4.427 227 HD12 LEU 31 2HD1 LEU 31 8.141 -9.559 -2.790 228 HD13 LEU 31 3HD1 LEU 31 9.222 -8.259 -3.292 229 HD21 LEU 31 3HD2 LEU 31 5.089 -7.479 -2.767 230 HD22 LEU 31 1HD2 LEU 31 5.710 -9.106 -2.489 231 HD23 LEU 31 2HD2 LEU 31 5.642 -8.455 -4.129 232 H HIS 32 H HIS 32 5.309 -6.797 1.277 233 HA HIS 32 HA HIS 32 7.045 -5.190 2.936 234 HB2 HIS 32 2HB HIS 32 4.558 -5.190 3.314 235 HB3 HIS 32 1HB HIS 32 4.681 -6.881 3.795 236 HD1 HIS 32 1HD HIS 32 4.558 -7.035 6.321 237 HD2 HIS 32 2HD HIS 32 6.593 -3.652 5.029 238 HE1 HIS 32 1HE HIS 32 5.284 -5.823 8.393 239 H LEU 33 H LEU 33 8.871 -6.126 2.940 240 HA LEU 33 HA LEU 33 9.270 -8.519 4.468 241 HB2 LEU 33 2HB LEU 33 8.991 -9.347 2.135 242 HB3 LEU 33 1HB LEU 33 10.254 -8.256 1.611 243 HG LEU 33 HG LEU 33 11.875 -9.504 3.011 244 HD11 LEU 33 1HD1 LEU 33 11.248 -11.701 3.892 245 HD12 LEU 33 2HD1 LEU 33 9.565 -11.389 3.464 246 HD13 LEU 33 3HD1 LEU 33 10.365 -10.397 4.684 247 HD21 LEU 33 3HD2 LEU 33 11.989 -11.480 1.565 248 HD22 LEU 33 1HD2 LEU 33 11.635 -10.019 0.643 249 HD23 LEU 33 2HD2 LEU 33 10.346 -11.165 1.008 Start of MODEL 8 1 H1 ASP 1 1HT ASP 1 -11.139 -2.999 -2.983 2 H2 ASP 1 2HT ASP 1 -11.414 -3.436 -1.398 3 H3 ASP 1 3HT ASP 1 -12.241 -4.234 -2.627 4 HA ASP 1 HA ASP 1 -10.448 -5.571 -1.756 5 HB2 ASP 1 2HB ASP 1 -10.059 -4.494 -4.552 6 HB3 ASP 1 1HB ASP 1 -9.041 -5.771 -3.905 7 H CYS 2 H CYS 2 -7.974 -5.819 -2.018 8 HA CYS 2 HA CYS 2 -6.801 -3.478 -0.796 9 HB2 CYS 2 2HB CYS 2 -4.896 -4.984 -0.363 10 HB3 CYS 2 1HB CYS 2 -6.410 -5.597 0.288 11 H LEU 3 H LEU 3 -4.837 -2.604 -1.513 12 HA LEU 3 HA LEU 3 -4.624 -2.467 -4.380 13 HB2 LEU 3 2HB LEU 3 -2.869 -1.206 -2.266 14 HB3 LEU 3 1HB LEU 3 -2.951 -0.779 -3.958 15 HG LEU 3 HG LEU 3 -5.203 -0.459 -2.010 16 HD11 LEU 3 1HD1 LEU 3 -4.694 1.942 -2.150 17 HD12 LEU 3 2HD1 LEU 3 -3.279 1.561 -3.138 18 HD13 LEU 3 3HD1 LEU 3 -3.363 1.006 -1.462 19 HD21 LEU 3 3HD2 LEU 3 -5.931 -0.770 -4.320 20 HD22 LEU 3 1HD2 LEU 3 -4.860 0.527 -4.838 21 HD23 LEU 3 2HD2 LEU 3 -6.234 0.886 -3.786 22 H LYS 4 H LYS 4 -3.085 -3.341 -5.569 23 HA LYS 4 HA LYS 4 -1.572 -5.487 -4.300 24 HB2 LYS 4 2HB LYS 4 -2.194 -4.971 -7.192 25 HB3 LYS 4 1HB LYS 4 -1.257 -6.327 -6.594 26 HG2 LYS 4 2HG LYS 4 -3.195 -7.123 -5.314 27 HG3 LYS 4 1HG LYS 4 -4.144 -5.765 -5.920 28 HD2 LYS 4 2HD LYS 4 -4.632 -7.774 -7.198 29 HD3 LYS 4 1HD LYS 4 -3.819 -6.581 -8.212 30 HE2 LYS 4 2HE LYS 4 -1.684 -7.785 -7.865 31 HE3 LYS 4 1HE LYS 4 -2.544 -8.992 -6.910 32 HZ1 LYS 4 3HZ LYS 4 -3.079 -8.337 -9.737 33 HZ2 LYS 4 1HZ LYS 4 -3.831 -9.560 -8.851 34 HZ3 LYS 4 2HZ LYS 4 -2.173 -9.662 -9.221 35 H PHE 5 H PHE 5 0.460 -6.017 -5.726 36 HA PHE 5 HA PHE 5 2.397 -4.151 -4.999 37 HB2 PHE 5 2HB PHE 5 2.837 -6.554 -5.251 38 HB3 PHE 5 1HB PHE 5 2.591 -6.420 -6.986 39 HD1 PHE 5 1HD PHE 5 4.677 -5.070 -4.239 40 HD2 PHE 5 2HD PHE 5 4.418 -6.053 -8.364 41 HE1 PHE 5 1HE PHE 5 7.053 -4.579 -4.488 42 HE2 PHE 5 2HE PHE 5 6.810 -5.557 -8.637 43 HZ PHE 5 HZ PHE 5 8.138 -4.819 -6.705 44 H GLY 6 H GLY 6 3.051 -2.358 -5.904 45 HA2 GLY 6 2HA GLY 6 3.732 -0.947 -7.612 46 HA3 GLY 6 1HA GLY 6 3.032 -2.054 -8.786 47 H TRP 7 H TRP 7 0.773 -1.477 -6.367 48 HA TRP 7 HA TRP 7 -0.579 0.315 -8.149 49 HB2 TRP 7 2HB TRP 7 -1.518 -1.134 -5.669 50 HB3 TRP 7 1HB TRP 7 -2.517 0.055 -6.492 51 HD1 TRP 7 HD TRP 7 -0.418 -2.481 -8.458 52 HE1 TRP 7 1HE TRP 7 -1.992 -4.107 -9.697 53 HE3 TRP 7 3HE TRP 7 -4.856 -0.976 -6.438 54 HZ2 TRP 7 2HZ TRP 7 -4.760 -4.664 -9.794 55 HZ3 TRP 7 3HZ TRP 7 -6.919 -2.108 -7.149 56 HH2 TRP 7 HH TRP 7 -6.870 -3.912 -8.791 57 H LYS 8 H LYS 8 -1.275 2.347 -7.581 58 HA LYS 8 HA LYS 8 0.441 3.878 -5.910 59 HB2 LYS 8 2HB LYS 8 -0.604 4.767 -7.948 60 HB3 LYS 8 1HB LYS 8 -2.191 4.579 -7.224 61 HG2 LYS 8 2HG LYS 8 -1.569 6.898 -7.150 62 HG3 LYS 8 1HG LYS 8 -1.554 6.254 -5.513 63 HD2 LYS 8 2HD LYS 8 0.864 6.042 -5.582 64 HD3 LYS 8 1HD LYS 8 0.881 6.592 -7.259 65 HE2 LYS 8 2HE LYS 8 -0.093 8.207 -4.907 66 HE3 LYS 8 1HE LYS 8 1.493 8.362 -5.649 67 HZ1 LYS 8 3HZ LYS 8 -0.113 10.023 -6.426 68 HZ2 LYS 8 1HZ LYS 8 -1.074 8.817 -7.092 69 HZ3 LYS 8 2HZ LYS 8 0.491 9.098 -7.680 70 H CYS 9 H CYS 9 0.129 4.622 -3.867 71 HA CYS 9 HA CYS 9 -2.426 4.227 -2.543 72 HB2 CYS 9 2HB CYS 9 -1.238 3.087 -0.652 73 HB3 CYS 9 1HB CYS 9 -1.323 2.136 -2.135 74 H ASN 10 H ASN 10 -2.024 4.967 -0.114 75 HA ASN 10 HA ASN 10 -0.557 7.501 -0.169 76 HB2 ASN 10 2HB ASN 10 -2.883 6.563 1.541 77 HB3 ASN 10 1HB ASN 10 -2.038 8.084 1.798 78 HD21 ASN 10 1HD2 ASN 10 -4.853 7.577 1.171 79 HD22 ASN 10 2HD2 ASN 10 -5.182 8.441 -0.269 80 HA PRO 11 HA PRO 11 2.589 5.417 2.053 81 HB2 PRO 11 2HB PRO 11 3.524 7.557 3.569 82 HB3 PRO 11 1HB PRO 11 4.003 7.169 1.913 83 HG2 PRO 11 2HG PRO 11 1.970 9.128 2.880 84 HG3 PRO 11 1HG PRO 11 3.142 9.287 1.560 85 HD2 PRO 11 2HD PRO 11 0.584 8.777 1.040 86 HD3 PRO 11 1HD PRO 11 1.869 7.981 0.105 87 H ARG 12 H ARG 12 0.532 7.503 4.022 88 HA ARG 12 HA ARG 12 1.173 5.934 6.393 89 HB2 ARG 12 2HB ARG 12 -0.495 8.404 6.045 90 HB3 ARG 12 1HB ARG 12 -0.158 7.608 7.566 91 HG2 ARG 12 2HG ARG 12 1.874 8.904 5.729 92 HG3 ARG 12 1HG ARG 12 1.274 9.583 7.239 93 HD2 ARG 12 2HD ARG 12 2.873 7.025 6.958 94 HD3 ARG 12 1HD ARG 12 3.490 8.579 7.510 95 HE ARG 12 HE ARG 12 1.326 7.917 9.104 96 HH11 ARG 12 1HH1 ARG 12 4.629 6.715 8.549 97 HH12 ARG 12 2HH1 ARG 12 4.798 6.080 10.117 98 HH21 ARG 12 1HH2 ARG 12 1.564 7.039 11.213 99 HH22 ARG 12 2HH2 ARG 12 3.001 6.253 11.677 100 H ASN 13 H ASN 13 -1.289 6.387 4.112 101 HA ASN 13 HA ASN 13 -3.115 4.764 5.734 102 HB2 ASN 13 2HB ASN 13 -4.203 6.833 5.049 103 HB3 ASN 13 1HB ASN 13 -3.786 6.552 3.368 104 HD21 ASN 13 1HD2 ASN 13 -5.767 5.470 6.028 105 HD22 ASN 13 2HD2 ASN 13 -6.957 4.667 5.064 106 H ASP 14 H ASP 14 -2.273 2.871 5.420 107 HA ASP 14 HA ASP 14 -1.420 1.967 2.810 108 HB2 ASP 14 2HB ASP 14 -0.188 1.494 4.960 109 HB3 ASP 14 1HB ASP 14 -1.516 0.430 5.395 110 H LYS 15 H LYS 15 -2.905 1.205 1.486 111 HA LYS 15 HA LYS 15 -4.985 -0.513 2.641 112 HB2 LYS 15 2HB LYS 15 -5.179 1.149 0.123 113 HB3 LYS 15 1HB LYS 15 -6.411 0.045 0.697 114 HG2 LYS 15 2HG LYS 15 -5.516 2.624 1.976 115 HG3 LYS 15 1HG LYS 15 -7.068 2.287 1.221 116 HD2 LYS 15 2HD LYS 15 -5.995 1.113 3.791 117 HD3 LYS 15 1HD LYS 15 -7.297 2.280 3.625 118 HE2 LYS 15 2HE LYS 15 -7.333 -0.575 2.640 119 HE3 LYS 15 1HE LYS 15 -8.132 0.026 4.083 120 HZ1 LYS 15 3HZ LYS 15 -8.766 0.853 1.300 121 HZ2 LYS 15 1HZ LYS 15 -9.551 1.404 2.693 122 HZ3 LYS 15 2HZ LYS 15 -9.656 -0.211 2.234 123 H CYS 16 H CYS 16 -2.218 -1.045 1.639 124 HA CYS 16 HA CYS 16 -2.581 -2.489 -0.794 125 HB2 CYS 16 2HB CYS 16 -0.276 -2.538 1.181 126 HB3 CYS 16 1HB CYS 16 -0.237 -3.179 -0.454 127 H CYS 17 H CYS 17 -2.041 -4.864 -0.871 128 HA CYS 17 HA CYS 17 -3.747 -6.321 0.831 129 HB2 CYS 17 2HB CYS 17 -1.598 -7.345 -1.029 130 HB3 CYS 17 1HB CYS 17 -2.923 -8.294 -0.368 131 H SER 18 H SER 18 -2.973 -8.395 1.936 132 HA SER 18 HA SER 18 -1.331 -7.701 4.090 133 HB2 SER 18 2HB SER 18 -3.219 -9.332 4.201 134 HB3 SER 18 1HB SER 18 -2.276 -10.453 3.224 135 HG SER 18 HG SER 18 -1.948 -9.671 5.889 136 H GLY 19 H GLY 19 0.808 -7.937 4.385 137 HA2 GLY 19 2HA GLY 19 2.967 -8.795 4.110 138 HA3 GLY 19 1HA GLY 19 2.385 -9.781 2.772 139 H LEU 20 H LEU 20 1.296 -6.660 2.477 140 HA LEU 20 HA LEU 20 3.499 -5.881 0.726 141 HB2 LEU 20 2HB LEU 20 1.199 -6.810 -0.176 142 HB3 LEU 20 1HB LEU 20 0.620 -5.226 0.273 143 HG LEU 20 HG LEU 20 2.315 -4.244 -1.267 144 HD11 LEU 20 1HD1 LEU 20 3.350 -5.772 -2.892 145 HD12 LEU 20 2HD1 LEU 20 2.649 -7.142 -2.010 146 HD13 LEU 20 3HD1 LEU 20 3.854 -6.124 -1.236 147 HD21 LEU 20 3HD2 LEU 20 1.102 -4.854 -3.278 148 HD22 LEU 20 1HD2 LEU 20 -0.011 -4.584 -1.936 149 HD23 LEU 20 2HD2 LEU 20 0.385 -6.227 -2.437 150 H LYS 21 H LYS 21 3.878 -3.590 0.862 151 HA LYS 21 HA LYS 21 2.250 -2.134 2.810 152 HB2 LYS 21 2HB LYS 21 4.151 -2.965 4.075 153 HB3 LYS 21 1HB LYS 21 5.264 -2.303 2.872 154 HG2 LYS 21 2HG LYS 21 4.479 -0.050 3.420 155 HG3 LYS 21 1HG LYS 21 3.421 -0.717 4.651 156 HD2 LYS 21 2HD LYS 21 5.394 -1.581 5.835 157 HD3 LYS 21 1HD LYS 21 6.429 -0.856 4.597 158 HE2 LYS 21 2HE LYS 21 4.516 0.626 6.399 159 HE3 LYS 21 1HE LYS 21 6.264 0.562 6.580 160 HZ1 LYS 21 3HZ LYS 21 5.542 2.610 5.510 161 HZ2 LYS 21 1HZ LYS 21 4.829 1.766 4.243 162 HZ3 LYS 21 2HZ LYS 21 6.499 1.737 4.463 163 H CYS 22 H CYS 22 2.068 -0.070 2.414 164 HA CYS 22 HA CYS 22 2.798 0.953 -0.169 165 HB2 CYS 22 2HB CYS 22 0.665 1.532 1.005 166 HB3 CYS 22 1HB CYS 22 1.606 2.424 2.194 167 H GLY 23 H GLY 23 4.529 2.151 -0.660 168 HA2 GLY 23 2HA GLY 23 6.612 2.438 1.289 169 HA3 GLY 23 1HA GLY 23 6.694 2.896 -0.403 170 H SER 24 H SER 24 7.677 4.319 1.881 171 HA SER 24 HA SER 24 5.927 6.586 2.128 172 HB2 SER 24 2HB SER 24 7.840 7.318 3.686 173 HB3 SER 24 1HB SER 24 6.840 5.949 4.186 174 HG SER 24 HG SER 24 9.437 6.030 3.884 175 H ASN 25 H ASN 25 9.016 5.735 0.713 176 HA ASN 25 HA ASN 25 9.531 8.433 -0.178 177 HB2 ASN 25 2HB ASN 25 10.962 5.833 -0.779 178 HB3 ASN 25 1HB ASN 25 11.424 7.362 -1.515 179 HD21 ASN 25 1HD2 ASN 25 11.351 5.491 1.433 180 HD22 ASN 25 2HD2 ASN 25 12.403 6.540 2.316 181 H HIS 26 H HIS 26 8.632 5.421 -1.730 182 HA HIS 26 HA HIS 26 7.399 7.018 -3.857 183 HB2 HIS 26 2HB HIS 26 8.503 4.203 -3.900 184 HB3 HIS 26 1HB HIS 26 7.372 4.753 -5.101 185 HD1 HIS 26 1HD HIS 26 8.253 6.247 -6.968 186 HD2 HIS 26 2HD HIS 26 11.001 5.292 -4.045 187 HE1 HIS 26 1HE HIS 26 10.482 6.964 -7.895 188 H ASN 27 H ASN 27 5.285 7.056 -3.724 189 HA ASN 27 HA ASN 27 4.098 5.429 -1.666 190 HB2 ASN 27 2HB ASN 27 2.782 7.566 -3.354 191 HB3 ASN 27 1HB ASN 27 2.098 6.801 -1.930 192 HD21 ASN 27 1HD2 ASN 27 4.692 6.862 -0.471 193 HD22 ASN 27 2HD2 ASN 27 4.934 8.520 -0.054 194 H TRP 28 H TRP 28 4.537 3.550 -2.895 195 HA TRP 28 HA TRP 28 2.136 2.779 -4.273 196 HB2 TRP 28 2HB TRP 28 3.447 1.411 -5.926 197 HB3 TRP 28 1HB TRP 28 3.541 3.136 -6.188 198 HD1 TRP 28 HD TRP 28 5.804 1.409 -3.619 199 HE1 TRP 28 1HE TRP 28 8.235 1.444 -4.445 200 HE3 TRP 28 3HE TRP 28 5.072 3.296 -8.297 201 HZ2 TRP 28 2HZ TRP 28 9.622 2.127 -6.651 202 HZ3 TRP 28 3HZ TRP 28 7.056 3.619 -9.736 203 HH2 TRP 28 HH TRP 28 9.292 3.052 -8.942 204 H CYS 29 H CYS 29 1.952 0.483 -4.306 205 HA CYS 29 HA CYS 29 2.639 -0.585 -1.746 206 HB2 CYS 29 2HB CYS 29 1.251 -1.816 -4.101 207 HB3 CYS 29 1HB CYS 29 1.414 -2.653 -2.579 208 H LYS 30 H LYS 30 4.450 -1.429 -1.218 209 HA LYS 30 HA LYS 30 6.222 -2.756 -3.165 210 HB2 LYS 30 2HB LYS 30 6.836 -1.525 -0.469 211 HB3 LYS 30 1HB LYS 30 8.002 -2.184 -1.610 212 HG2 LYS 30 2HG LYS 30 7.566 -0.395 -3.159 213 HG3 LYS 30 1HG LYS 30 6.230 0.161 -2.156 214 HD2 LYS 30 2HD LYS 30 8.074 1.639 -1.817 215 HD3 LYS 30 1HD LYS 30 7.878 0.680 -0.360 216 HE2 LYS 30 2HE LYS 30 9.885 0.061 -2.521 217 HE3 LYS 30 1HE LYS 30 10.250 1.087 -1.154 218 HZ1 LYS 30 3HZ LYS 30 9.680 -0.833 0.308 219 HZ2 LYS 30 1HZ LYS 30 11.028 -1.100 -0.650 220 HZ3 LYS 30 2HZ LYS 30 9.580 -1.817 -1.049 221 H LEU 31 H LEU 31 7.550 -4.504 -2.028 222 HA LEU 31 HA LEU 31 5.770 -6.337 -0.712 223 HB2 LEU 31 2HB LEU 31 8.733 -6.526 -1.234 224 HB3 LEU 31 1HB LEU 31 7.693 -7.834 -0.722 225 HG LEU 31 HG LEU 31 7.540 -6.416 -3.377 226 HD11 LEU 31 1HD1 LEU 31 9.537 -7.771 -3.162 227 HD12 LEU 31 2HD1 LEU 31 8.392 -8.514 -4.279 228 HD13 LEU 31 3HD1 LEU 31 8.564 -9.146 -2.640 229 HD21 LEU 31 3HD2 LEU 31 5.984 -8.223 -3.976 230 HD22 LEU 31 1HD2 LEU 31 5.361 -7.225 -2.662 231 HD23 LEU 31 2HD2 LEU 31 6.046 -8.808 -2.311 232 H HIS 32 H HIS 32 5.608 -6.679 1.438 233 HA HIS 32 HA HIS 32 7.228 -5.034 3.153 234 HB2 HIS 32 2HB HIS 32 4.780 -5.318 3.553 235 HB3 HIS 32 1HB HIS 32 5.075 -7.024 3.879 236 HD1 HIS 32 1HD HIS 32 5.544 -7.599 6.293 237 HD2 HIS 32 2HD HIS 32 6.093 -3.570 5.467 238 HE1 HIS 32 1HE HIS 32 5.953 -6.474 8.514 239 H LEU 33 H LEU 33 9.163 -5.846 2.931 240 HA LEU 33 HA LEU 33 9.654 -8.628 3.727 241 HB2 LEU 33 2HB LEU 33 11.473 -6.709 2.256 242 HB3 LEU 33 1HB LEU 33 11.814 -8.390 2.601 243 HG LEU 33 HG LEU 33 9.669 -7.371 0.736 244 HD11 LEU 33 1HD1 LEU 33 12.298 -8.724 0.165 245 HD12 LEU 33 2HD1 LEU 33 11.898 -7.036 -0.155 246 HD13 LEU 33 3HD1 LEU 33 11.066 -8.321 -1.029 247 HD21 LEU 33 3HD2 LEU 33 9.002 -9.472 1.782 248 HD22 LEU 33 1HD2 LEU 33 10.551 -10.194 1.344 249 HD23 LEU 33 2HD2 LEU 33 9.409 -9.725 0.087 Start of MODEL 9 1 H1 ASP 1 1HT ASP 1 -11.288 -3.674 -2.872 2 H2 ASP 1 2HT ASP 1 -11.527 -3.854 -1.242 3 H3 ASP 1 3HT ASP 1 -12.236 -4.959 -2.311 4 HA ASP 1 HA ASP 1 -10.300 -5.896 -1.219 5 HB2 ASP 1 2HB ASP 1 -9.928 -5.276 -4.154 6 HB3 ASP 1 1HB ASP 1 -8.878 -6.370 -3.269 7 H CYS 2 H CYS 2 -7.808 -5.901 -1.552 8 HA CYS 2 HA CYS 2 -6.888 -3.319 -0.653 9 HB2 CYS 2 2HB CYS 2 -4.794 -4.694 -0.220 10 HB3 CYS 2 1HB CYS 2 -6.226 -5.127 0.709 11 H LEU 3 H LEU 3 -4.743 -2.580 -1.418 12 HA LEU 3 HA LEU 3 -4.673 -2.442 -4.283 13 HB2 LEU 3 2HB LEU 3 -2.716 -1.344 -2.271 14 HB3 LEU 3 1HB LEU 3 -2.848 -0.898 -3.952 15 HG LEU 3 HG LEU 3 -4.950 -0.387 -1.876 16 HD11 LEU 3 1HD1 LEU 3 -4.222 1.948 -2.037 17 HD12 LEU 3 2HD1 LEU 3 -2.928 1.467 -3.135 18 HD13 LEU 3 3HD1 LEU 3 -2.925 0.902 -1.462 19 HD21 LEU 3 3HD2 LEU 3 -4.675 0.612 -4.704 20 HD22 LEU 3 1HD2 LEU 3 -5.950 1.057 -3.571 21 HD23 LEU 3 2HD2 LEU 3 -5.827 -0.606 -4.158 22 H LYS 4 H LYS 4 -3.097 -3.248 -5.588 23 HA LYS 4 HA LYS 4 -1.620 -5.530 -4.519 24 HB2 LYS 4 2HB LYS 4 -2.236 -4.743 -7.355 25 HB3 LYS 4 1HB LYS 4 -1.360 -6.186 -6.866 26 HG2 LYS 4 2HG LYS 4 -3.336 -7.013 -5.694 27 HG3 LYS 4 1HG LYS 4 -4.208 -5.548 -6.139 28 HD2 LYS 4 2HD LYS 4 -4.778 -7.405 -7.613 29 HD3 LYS 4 1HD LYS 4 -3.968 -6.099 -8.487 30 HE2 LYS 4 2HE LYS 4 -3.169 -8.296 -9.192 31 HE3 LYS 4 1HE LYS 4 -1.880 -7.357 -8.452 32 HZ1 LYS 4 3HZ LYS 4 -2.260 -8.642 -6.383 33 HZ2 LYS 4 1HZ LYS 4 -1.856 -9.636 -7.694 34 HZ3 LYS 4 2HZ LYS 4 -3.449 -9.521 -7.181 35 H PHE 5 H PHE 5 0.416 -5.937 -6.083 36 HA PHE 5 HA PHE 5 2.339 -4.136 -5.131 37 HB2 PHE 5 2HB PHE 5 2.859 -6.489 -5.548 38 HB3 PHE 5 1HB PHE 5 2.609 -6.252 -7.274 39 HD1 PHE 5 1HD PHE 5 4.632 -4.901 -4.464 40 HD2 PHE 5 2HD PHE 5 4.457 -5.851 -8.604 41 HE1 PHE 5 1HE PHE 5 6.997 -4.306 -4.689 42 HE2 PHE 5 2HE PHE 5 6.832 -5.253 -8.847 43 HZ PHE 5 HZ PHE 5 8.109 -4.478 -6.891 44 H GLY 6 H GLY 6 3.082 -2.332 -5.850 45 HA2 GLY 6 2HA GLY 6 3.812 -0.763 -7.378 46 HA3 GLY 6 1HA GLY 6 3.135 -1.742 -8.671 47 H TRP 7 H TRP 7 0.731 -1.456 -6.380 48 HA TRP 7 HA TRP 7 -0.600 0.469 -8.053 49 HB2 TRP 7 2HB TRP 7 -1.488 -1.084 -5.624 50 HB3 TRP 7 1HB TRP 7 -2.483 0.184 -6.332 51 HD1 TRP 7 HD TRP 7 -0.573 -2.215 -8.643 52 HE1 TRP 7 1HE TRP 7 -2.275 -3.707 -9.870 53 HE3 TRP 7 3HE TRP 7 -4.795 -0.899 -6.103 54 HZ2 TRP 7 2HZ TRP 7 -5.034 -4.266 -9.758 55 HZ3 TRP 7 3HZ TRP 7 -6.915 -1.963 -6.712 56 HH2 TRP 7 HH TRP 7 -7.033 -3.614 -8.503 57 H LYS 8 H LYS 8 -1.212 2.492 -7.510 58 HA LYS 8 HA LYS 8 0.607 3.785 -5.760 59 HB2 LYS 8 2HB LYS 8 -1.713 4.907 -7.327 60 HB3 LYS 8 1HB LYS 8 -0.539 5.874 -6.449 61 HG2 LYS 8 2HG LYS 8 0.110 4.021 -8.739 62 HG3 LYS 8 1HG LYS 8 -0.055 5.772 -8.860 63 HD2 LYS 8 2HD LYS 8 1.837 6.097 -7.381 64 HD3 LYS 8 1HD LYS 8 1.952 4.366 -7.082 65 HE2 LYS 8 2HE LYS 8 3.648 5.071 -8.659 66 HE3 LYS 8 1HE LYS 8 2.487 3.995 -9.430 67 HZ1 LYS 8 3HZ LYS 8 3.007 5.845 -10.859 68 HZ2 LYS 8 1HZ LYS 8 2.553 6.953 -9.676 69 HZ3 LYS 8 2HZ LYS 8 1.402 5.962 -10.374 70 H CYS 9 H CYS 9 0.460 4.058 -3.806 71 HA CYS 9 HA CYS 9 -2.134 3.888 -2.450 72 HB2 CYS 9 2HB CYS 9 -0.862 2.987 -0.551 73 HB3 CYS 9 1HB CYS 9 -0.604 2.004 -1.990 74 H ASN 10 H ASN 10 -1.905 5.019 -0.257 75 HA ASN 10 HA ASN 10 -0.440 7.504 -0.642 76 HB2 ASN 10 2HB ASN 10 -3.112 7.028 0.740 77 HB3 ASN 10 1HB ASN 10 -2.136 8.459 1.050 78 HD21 ASN 10 1HD2 ASN 10 -3.750 9.741 0.303 79 HD22 ASN 10 2HD2 ASN 10 -4.150 9.797 -1.371 80 HA PRO 11 HA PRO 11 2.091 5.673 2.471 81 HB2 PRO 11 2HB PRO 11 3.556 7.900 3.085 82 HB3 PRO 11 1HB PRO 11 3.834 6.889 1.666 83 HG2 PRO 11 2HG PRO 11 2.293 9.443 1.888 84 HG3 PRO 11 1HG PRO 11 3.470 8.958 0.652 85 HD2 PRO 11 2HD PRO 11 0.866 8.826 0.179 86 HD3 PRO 11 1HD PRO 11 1.954 7.549 -0.408 87 H ARG 12 H ARG 12 -0.185 8.034 3.116 88 HA ARG 12 HA ARG 12 0.403 8.339 5.931 89 HB2 ARG 12 2HB ARG 12 -1.979 9.128 4.299 90 HB3 ARG 12 1HB ARG 12 -1.826 9.441 6.015 91 HG2 ARG 12 2HG ARG 12 -0.023 10.470 3.833 92 HG3 ARG 12 1HG ARG 12 -1.266 11.418 4.656 93 HD2 ARG 12 2HD ARG 12 -0.019 11.157 6.765 94 HD3 ARG 12 1HD ARG 12 1.203 10.208 5.915 95 HE ARG 12 HE ARG 12 0.815 12.680 4.651 96 HH11 ARG 12 1HH1 ARG 12 2.373 11.285 7.511 97 HH12 ARG 12 2HH1 ARG 12 3.532 12.521 7.655 98 HH21 ARG 12 1HH2 ARG 12 2.432 14.342 4.832 99 HH22 ARG 12 2HH2 ARG 12 3.577 14.301 6.091 100 H ASN 13 H ASN 13 -1.501 6.252 3.959 101 HA ASN 13 HA ASN 13 -2.164 4.633 6.253 102 HB2 ASN 13 2HB ASN 13 -4.034 6.200 6.299 103 HB3 ASN 13 1HB ASN 13 -4.362 5.899 4.599 104 HD21 ASN 13 1HD2 ASN 13 -5.467 4.088 4.026 105 HD22 ASN 13 2HD2 ASN 13 -6.218 3.023 5.168 106 H ASP 14 H ASP 14 -1.510 2.748 5.605 107 HA ASP 14 HA ASP 14 -1.177 1.911 2.925 108 HB2 ASP 14 2HB ASP 14 0.254 1.019 4.675 109 HB3 ASP 14 1HB ASP 14 -1.160 0.360 5.495 110 H LYS 15 H LYS 15 -2.548 1.056 1.577 111 HA LYS 15 HA LYS 15 -4.869 -0.419 2.599 112 HB2 LYS 15 2HB LYS 15 -4.613 1.317 0.146 113 HB3 LYS 15 1HB LYS 15 -5.958 0.228 0.405 114 HG2 LYS 15 2HG LYS 15 -5.211 2.499 2.234 115 HG3 LYS 15 1HG LYS 15 -6.450 2.589 0.985 116 HD2 LYS 15 2HD LYS 15 -6.424 0.706 3.327 117 HD3 LYS 15 1HD LYS 15 -7.402 2.165 3.215 118 HE2 LYS 15 2HE LYS 15 -7.619 -0.307 1.466 119 HE3 LYS 15 1HE LYS 15 -8.764 0.220 2.685 120 HZ1 LYS 15 3HZ LYS 15 -9.499 0.767 0.454 121 HZ2 LYS 15 1HZ LYS 15 -8.128 1.677 0.174 122 HZ3 LYS 15 2HZ LYS 15 -9.251 2.192 1.320 123 H CYS 16 H CYS 16 -2.038 -1.120 1.721 124 HA CYS 16 HA CYS 16 -2.503 -2.622 -0.696 125 HB2 CYS 16 2HB CYS 16 -0.077 -2.628 1.105 126 HB3 CYS 16 1HB CYS 16 -0.145 -3.211 -0.552 127 H CYS 17 H CYS 17 -2.090 -4.953 -0.799 128 HA CYS 17 HA CYS 17 -3.675 -6.382 1.006 129 HB2 CYS 17 2HB CYS 17 -1.701 -7.374 -1.038 130 HB3 CYS 17 1HB CYS 17 -2.923 -8.363 -0.244 131 H SER 18 H SER 18 -2.969 -8.457 2.125 132 HA SER 18 HA SER 18 -1.104 -7.839 4.122 133 HB2 SER 18 2HB SER 18 -2.355 -10.497 3.397 134 HB3 SER 18 1HB SER 18 -1.633 -10.074 4.953 135 HG SER 18 HG SER 18 -3.326 -8.912 5.463 136 H GLY 19 H GLY 19 1.022 -8.181 4.182 137 HA2 GLY 19 2HA GLY 19 3.019 -9.353 3.740 138 HA3 GLY 19 1HA GLY 19 2.245 -10.108 2.346 139 H LEU 20 H LEU 20 1.209 -7.184 1.993 140 HA LEU 20 HA LEU 20 3.491 -6.220 0.437 141 HB2 LEU 20 2HB LEU 20 1.225 -7.060 -0.582 142 HB3 LEU 20 1HB LEU 20 0.594 -5.558 0.050 143 HG LEU 20 HG LEU 20 2.259 -4.346 -1.346 144 HD11 LEU 20 1HD1 LEU 20 3.310 -5.627 -3.162 145 HD12 LEU 20 2HD1 LEU 20 2.686 -7.119 -2.431 146 HD13 LEU 20 3HD1 LEU 20 3.862 -6.138 -1.566 147 HD21 LEU 20 3HD2 LEU 20 0.376 -6.209 -2.759 148 HD22 LEU 20 1HD2 LEU 20 1.064 -4.729 -3.413 149 HD23 LEU 20 2HD2 LEU 20 -0.051 -4.654 -2.046 150 H LYS 21 H LYS 21 3.761 -3.840 0.656 151 HA LYS 21 HA LYS 21 2.008 -2.575 2.589 152 HB2 LYS 21 2HB LYS 21 3.726 -3.707 3.931 153 HB3 LYS 21 1HB LYS 21 4.949 -2.775 3.061 154 HG2 LYS 21 2HG LYS 21 4.531 -1.874 5.305 155 HG3 LYS 21 1HG LYS 21 4.119 -0.720 4.040 156 HD2 LYS 21 2HD LYS 21 2.450 -0.742 5.832 157 HD3 LYS 21 1HD LYS 21 1.755 -1.252 4.302 158 HE2 LYS 21 2HE LYS 21 1.948 -3.605 5.014 159 HE3 LYS 21 1HE LYS 21 2.617 -3.075 6.558 160 HZ1 LYS 21 3HZ LYS 21 0.546 -1.995 7.071 161 HZ2 LYS 21 1HZ LYS 21 0.219 -3.581 6.638 162 HZ3 LYS 21 2HZ LYS 21 -0.086 -2.343 5.543 163 H CYS 22 H CYS 22 1.718 -0.620 2.173 164 HA CYS 22 HA CYS 22 2.912 0.799 0.023 165 HB2 CYS 22 2HB CYS 22 0.624 1.285 0.867 166 HB3 CYS 22 1HB CYS 22 1.314 1.837 2.388 167 H GLY 23 H GLY 23 4.640 2.157 0.066 168 HA2 GLY 23 2HA GLY 23 6.207 2.040 2.482 169 HA3 GLY 23 1HA GLY 23 6.773 2.754 0.993 170 H SER 24 H SER 24 6.621 3.600 3.808 171 HA SER 24 HA SER 24 4.797 5.742 4.040 172 HB2 SER 24 2HB SER 24 6.368 6.363 5.958 173 HB3 SER 24 1HB SER 24 5.648 4.755 6.021 174 HG SER 24 HG SER 24 8.205 5.416 5.997 175 H ASN 25 H ASN 25 7.902 5.374 2.652 176 HA ASN 25 HA ASN 25 8.058 8.232 1.976 177 HB2 ASN 25 2HB ASN 25 10.213 6.102 2.087 178 HB3 ASN 25 1HB ASN 25 10.467 7.681 1.365 179 HD21 ASN 25 1HD2 ASN 25 10.598 9.466 2.694 180 HD22 ASN 25 2HD2 ASN 25 10.831 9.350 4.408 181 H HIS 26 H HIS 26 6.432 5.999 0.699 182 HA HIS 26 HA HIS 26 7.464 6.296 -2.031 183 HB2 HIS 26 2HB HIS 26 6.451 3.717 -0.788 184 HB3 HIS 26 1HB HIS 26 6.654 3.966 -2.507 185 HD1 HIS 26 1HD HIS 26 8.725 3.588 0.676 186 HD2 HIS 26 2HD HIS 26 9.130 3.673 -3.449 187 HE1 HIS 26 1HE HIS 26 11.056 2.827 0.208 188 H ASN 27 H ASN 27 5.669 5.527 -3.596 189 HA ASN 27 HA ASN 27 3.044 6.323 -2.550 190 HB2 ASN 27 2HB ASN 27 4.264 7.034 -5.215 191 HB3 ASN 27 1HB ASN 27 2.543 7.143 -4.911 192 HD21 ASN 27 1HD2 ASN 27 3.134 8.046 -2.096 193 HD22 ASN 27 2HD2 ASN 27 3.562 9.700 -2.281 194 H TRP 28 H TRP 28 4.473 3.786 -3.130 195 HA TRP 28 HA TRP 28 2.182 2.603 -4.414 196 HB2 TRP 28 2HB TRP 28 3.570 1.133 -5.890 197 HB3 TRP 28 1HB TRP 28 3.555 2.824 -6.329 198 HD1 TRP 28 HD TRP 28 5.907 1.273 -3.679 199 HE1 TRP 28 1HE TRP 28 8.339 1.567 -4.497 200 HE3 TRP 28 3HE TRP 28 4.993 3.225 -8.283 201 HZ2 TRP 28 2HZ TRP 28 9.640 2.433 -6.684 202 HZ3 TRP 28 3HZ TRP 28 6.923 3.773 -9.726 203 HH2 TRP 28 HH TRP 28 9.214 3.395 -8.953 204 H CYS 29 H CYS 29 1.930 0.468 -4.169 205 HA CYS 29 HA CYS 29 2.619 -0.600 -1.632 206 HB2 CYS 29 2HB CYS 29 1.330 -1.756 -4.071 207 HB3 CYS 29 1HB CYS 29 1.435 -2.648 -2.579 208 H LYS 30 H LYS 30 4.621 -1.351 -1.210 209 HA LYS 30 HA LYS 30 6.087 -2.749 -3.338 210 HB2 LYS 30 2HB LYS 30 7.102 -1.687 -0.696 211 HB3 LYS 30 1HB LYS 30 8.063 -2.528 -1.892 212 HG2 LYS 30 2HG LYS 30 7.612 -0.605 -3.472 213 HG3 LYS 30 1HG LYS 30 6.821 0.211 -2.120 214 HD2 LYS 30 2HD LYS 30 9.069 1.005 -2.246 215 HD3 LYS 30 1HD LYS 30 8.947 -0.039 -0.830 216 HE2 LYS 30 2HE LYS 30 9.896 -1.905 -2.187 217 HE3 LYS 30 1HE LYS 30 10.081 -0.763 -3.524 218 HZ1 LYS 30 3HZ LYS 30 12.129 -1.089 -2.312 219 HZ2 LYS 30 1HZ LYS 30 11.418 -0.593 -0.879 220 HZ3 LYS 30 2HZ LYS 30 11.631 0.498 -2.151 221 H LEU 31 H LEU 31 7.452 -4.578 -2.474 222 HA LEU 31 HA LEU 31 5.785 -6.477 -1.128 223 HB2 LEU 31 2HB LEU 31 8.694 -6.592 -1.941 224 HB3 LEU 31 1HB LEU 31 7.747 -7.953 -1.385 225 HG LEU 31 HG LEU 31 7.173 -6.406 -3.913 226 HD11 LEU 31 1HD1 LEU 31 8.088 -8.358 -5.079 227 HD12 LEU 31 2HD1 LEU 31 8.590 -9.038 -3.529 228 HD13 LEU 31 3HD1 LEU 31 9.302 -7.534 -4.103 229 HD21 LEU 31 3HD2 LEU 31 5.731 -8.319 -4.442 230 HD22 LEU 31 1HD2 LEU 31 5.210 -7.506 -2.967 231 HD23 LEU 31 2HD2 LEU 31 6.096 -9.026 -2.868 232 H HIS 32 H HIS 32 5.758 -6.884 1.018 233 HA HIS 32 HA HIS 32 7.659 -5.405 2.649 234 HB2 HIS 32 2HB HIS 32 5.203 -5.274 3.155 235 HB3 HIS 32 1HB HIS 32 5.243 -6.999 3.511 236 HD1 HIS 32 1HD HIS 32 6.252 -7.700 5.798 237 HD2 HIS 32 2HD HIS 32 6.330 -3.612 5.101 238 HE1 HIS 32 1HE HIS 32 6.773 -6.627 8.015 239 H LEU 33 H LEU 33 9.382 -6.595 2.237 240 HA LEU 33 HA LEU 33 9.333 -9.413 2.971 241 HB2 LEU 33 2HB LEU 33 10.182 -8.785 0.716 242 HB3 LEU 33 1HB LEU 33 11.444 -7.847 1.481 243 HG LEU 33 HG LEU 33 12.406 -9.904 2.425 244 HD11 LEU 33 1HD1 LEU 33 11.593 -12.084 1.673 245 HD12 LEU 33 2HD1 LEU 33 10.234 -11.300 0.866 246 HD13 LEU 33 3HD1 LEU 33 10.377 -11.233 2.623 247 HD21 LEU 33 3HD2 LEU 33 13.212 -10.858 0.320 248 HD22 LEU 33 1HD2 LEU 33 13.190 -9.095 0.268 249 HD23 LEU 33 2HD2 LEU 33 11.929 -10.019 -0.549 Start of MODEL 10 1 H1 ASP 1 1HT ASP 1 -11.264 -2.453 -0.444 2 H2 ASP 1 2HT ASP 1 -10.804 -3.320 0.899 3 H3 ASP 1 3HT ASP 1 -12.195 -3.777 0.054 4 HA ASP 1 HA ASP 1 -10.277 -5.218 -0.393 5 HB2 ASP 1 2HB ASP 1 -10.309 -5.096 -2.869 6 HB3 ASP 1 1HB ASP 1 -11.925 -4.961 -2.196 7 H CYS 2 H CYS 2 -8.142 -5.456 -1.168 8 HA CYS 2 HA CYS 2 -6.666 -3.096 -0.409 9 HB2 CYS 2 2HB CYS 2 -4.725 -4.648 -0.165 10 HB3 CYS 2 1HB CYS 2 -6.089 -5.015 0.876 11 H LEU 3 H LEU 3 -4.573 -2.738 -1.411 12 HA LEU 3 HA LEU 3 -4.878 -2.487 -4.285 13 HB2 LEU 3 2HB LEU 3 -2.713 -1.479 -2.448 14 HB3 LEU 3 1HB LEU 3 -2.986 -0.997 -4.107 15 HG LEU 3 HG LEU 3 -4.890 -0.471 -1.844 16 HD11 LEU 3 1HD1 LEU 3 -2.907 1.351 -3.201 17 HD12 LEU 3 2HD1 LEU 3 -2.841 0.774 -1.531 18 HD13 LEU 3 3HD1 LEU 3 -4.134 1.860 -2.040 19 HD21 LEU 3 3HD2 LEU 3 -5.952 -0.633 -4.027 20 HD22 LEU 3 1HD2 LEU 3 -4.812 0.545 -4.666 21 HD23 LEU 3 2HD2 LEU 3 -5.975 1.028 -3.427 22 H LYS 4 H LYS 4 -3.340 -3.254 -5.719 23 HA LYS 4 HA LYS 4 -2.053 -5.708 -4.837 24 HB2 LYS 4 2HB LYS 4 -2.495 -4.611 -7.605 25 HB3 LYS 4 1HB LYS 4 -1.832 -6.191 -7.234 26 HG2 LYS 4 2HG LYS 4 -3.972 -6.777 -6.133 27 HG3 LYS 4 1HG LYS 4 -4.612 -5.210 -6.625 28 HD2 LYS 4 2HD LYS 4 -5.346 -6.866 -8.217 29 HD3 LYS 4 1HD LYS 4 -4.151 -5.816 -8.977 30 HE2 LYS 4 2HE LYS 4 -3.787 -8.167 -9.561 31 HE3 LYS 4 1HE LYS 4 -2.422 -7.505 -8.676 32 HZ1 LYS 4 3HZ LYS 4 -4.570 -9.210 -7.521 33 HZ2 LYS 4 1HZ LYS 4 -3.247 -8.596 -6.672 34 HZ3 LYS 4 2HZ LYS 4 -3.011 -9.713 -7.908 35 H PHE 5 H PHE 5 -0.026 -6.177 -6.259 36 HA PHE 5 HA PHE 5 2.027 -4.486 -5.289 37 HB2 PHE 5 2HB PHE 5 2.362 -6.906 -5.630 38 HB3 PHE 5 1HB PHE 5 2.172 -6.689 -7.365 39 HD1 PHE 5 2HD PHE 5 4.293 -5.863 -4.486 40 HD2 PHE 5 1HD PHE 5 4.007 -6.046 -8.712 41 HE1 PHE 5 2HE PHE 5 6.712 -5.440 -4.660 42 HE2 PHE 5 1HE PHE 5 6.419 -5.626 -8.904 43 HZ PHE 5 HZ PHE 5 7.779 -5.321 -6.873 44 H GLY 6 H GLY 6 2.719 -2.644 -6.102 45 HA2 GLY 6 2HA GLY 6 3.626 -1.321 -7.810 46 HA3 GLY 6 1HA GLY 6 2.776 -2.299 -9.000 47 H TRP 7 H TRP 7 0.638 -1.618 -6.552 48 HA TRP 7 HA TRP 7 -0.585 0.431 -8.200 49 HB2 TRP 7 2HB TRP 7 -1.558 -1.156 -5.827 50 HB3 TRP 7 1HB TRP 7 -2.469 0.203 -6.477 51 HD1 TRP 7 HD TRP 7 -0.708 -2.237 -8.868 52 HE1 TRP 7 1HE TRP 7 -2.504 -3.545 -10.167 53 HE3 TRP 7 3HE TRP 7 -4.849 -0.683 -6.321 54 HZ2 TRP 7 2HZ TRP 7 -5.295 -3.871 -10.118 55 HZ3 TRP 7 3HZ TRP 7 -7.039 -1.542 -7.011 56 HH2 TRP 7 HH TRP 7 -7.256 -3.106 -8.869 57 H LYS 8 H LYS 8 -1.056 2.504 -7.477 58 HA LYS 8 HA LYS 8 0.869 3.469 -5.622 59 HB2 LYS 8 2HB LYS 8 -1.286 4.902 -7.119 60 HB3 LYS 8 1HB LYS 8 -0.221 5.689 -5.969 61 HG2 LYS 8 2HG LYS 8 1.652 4.650 -7.467 62 HG3 LYS 8 1HG LYS 8 0.361 4.623 -8.678 63 HD2 LYS 8 2HD LYS 8 1.223 6.988 -7.060 64 HD3 LYS 8 1HD LYS 8 1.647 6.730 -8.761 65 HE2 LYS 8 2HE LYS 8 -0.723 6.877 -9.360 66 HE3 LYS 8 1HE LYS 8 -1.159 7.045 -7.661 67 HZ1 LYS 8 3HZ LYS 8 0.449 8.974 -9.248 68 HZ2 LYS 8 1HZ LYS 8 0.102 9.103 -7.600 69 HZ3 LYS 8 2HZ LYS 8 -1.143 9.180 -8.717 70 H CYS 9 H CYS 9 0.375 4.897 -3.933 71 HA CYS 9 HA CYS 9 -2.147 4.517 -2.597 72 HB2 CYS 9 2HB CYS 9 -1.087 3.555 -0.589 73 HB3 CYS 9 1HB CYS 9 -0.961 2.485 -1.985 74 H ASN 10 H ASN 10 -2.080 5.674 -0.501 75 HA ASN 10 HA ASN 10 -0.371 8.027 -0.607 76 HB2 ASN 10 2HB ASN 10 -2.892 7.416 0.978 77 HB3 ASN 10 1HB ASN 10 -1.954 8.883 1.170 78 HD21 ASN 10 1HD2 ASN 10 -4.707 8.494 0.398 79 HD22 ASN 10 2HD2 ASN 10 -4.910 9.272 -1.127 80 HA PRO 11 HA PRO 11 2.112 5.637 2.264 81 HB2 PRO 11 2HB PRO 11 3.658 7.716 3.177 82 HB3 PRO 11 1HB PRO 11 3.938 6.846 1.671 83 HG2 PRO 11 2HG PRO 11 2.506 9.439 2.103 84 HG3 PRO 11 1HG PRO 11 3.700 9.016 0.858 85 HD2 PRO 11 2HD PRO 11 1.112 9.056 0.292 86 HD3 PRO 11 1HD PRO 11 2.147 7.770 -0.367 87 H ARG 12 H ARG 12 0.051 8.152 3.175 88 HA ARG 12 HA ARG 12 0.502 7.936 6.029 89 HB2 ARG 12 2HB ARG 12 -1.500 9.374 4.357 90 HB3 ARG 12 1HB ARG 12 -1.634 9.286 6.101 91 HG2 ARG 12 2HG ARG 12 0.663 10.491 4.532 92 HG3 ARG 12 1HG ARG 12 -0.600 11.407 5.355 93 HD2 ARG 12 2HD ARG 12 1.479 9.626 6.628 94 HD3 ARG 12 1HD ARG 12 1.395 11.381 6.704 95 HE ARG 12 HE ARG 12 -0.878 10.886 7.794 96 HH11 ARG 12 1HH1 ARG 12 2.097 9.040 8.305 97 HH12 ARG 12 2HH1 ARG 12 1.695 8.524 9.875 98 HH21 ARG 12 1HH2 ARG 12 -1.441 10.177 9.985 99 HH22 ARG 12 2HH2 ARG 12 -0.342 9.187 10.838 100 H ASN 13 H ASN 13 -1.337 6.324 3.697 101 HA ASN 13 HA ASN 13 -2.756 4.833 5.783 102 HB2 ASN 13 2HB ASN 13 -4.289 6.616 5.018 103 HB3 ASN 13 1HB ASN 13 -4.143 6.012 3.374 104 HD21 ASN 13 1HD2 ASN 13 -6.241 5.506 3.140 105 HD22 ASN 13 2HD2 ASN 13 -7.058 4.263 4.009 106 H ASP 14 H ASP 14 -1.775 2.921 5.402 107 HA ASP 14 HA ASP 14 -1.238 1.882 2.791 108 HB2 ASP 14 2HB ASP 14 0.190 1.118 4.604 109 HB3 ASP 14 1HB ASP 14 -1.243 0.581 5.486 110 H LYS 15 H LYS 15 -2.593 1.010 1.501 111 HA LYS 15 HA LYS 15 -4.875 -0.481 2.572 112 HB2 LYS 15 2HB LYS 15 -4.691 1.212 0.077 113 HB3 LYS 15 1HB LYS 15 -6.008 0.097 0.382 114 HG2 LYS 15 2HG LYS 15 -5.296 2.460 2.113 115 HG3 LYS 15 1HG LYS 15 -6.563 2.442 0.887 116 HD2 LYS 15 2HD LYS 15 -6.439 0.662 3.316 117 HD3 LYS 15 1HD LYS 15 -7.449 2.101 3.174 118 HE2 LYS 15 2HE LYS 15 -8.579 1.019 1.199 119 HE3 LYS 15 1HE LYS 15 -7.656 -0.442 1.535 120 HZ1 LYS 15 3HZ LYS 15 -8.751 -0.533 3.743 121 HZ2 LYS 15 1HZ LYS 15 -9.851 -0.595 2.479 122 HZ3 LYS 15 2HZ LYS 15 -9.646 0.821 3.346 123 H CYS 16 H CYS 16 -2.034 -1.148 1.755 124 HA CYS 16 HA CYS 16 -2.456 -2.684 -0.663 125 HB2 CYS 16 2HB CYS 16 -0.061 -2.682 1.165 126 HB3 CYS 16 1HB CYS 16 -0.104 -3.247 -0.493 127 H CYS 17 H CYS 17 -2.119 -5.003 -0.735 128 HA CYS 17 HA CYS 17 -3.536 -6.400 1.287 129 HB2 CYS 17 2HB CYS 17 -1.783 -7.510 -0.911 130 HB3 CYS 17 1HB CYS 17 -3.046 -8.382 -0.053 131 H SER 18 H SER 18 -2.565 -8.381 2.420 132 HA SER 18 HA SER 18 -0.374 -7.572 3.967 133 HB2 SER 18 2HB SER 18 -1.686 -10.277 3.723 134 HB3 SER 18 1HB SER 18 -0.579 -9.789 5.014 135 HG SER 18 HG SER 18 -2.288 -7.899 4.926 136 H GLY 19 H GLY 19 1.730 -8.265 4.044 137 HA2 GLY 19 2HA GLY 19 3.693 -9.286 3.269 138 HA3 GLY 19 1HA GLY 19 2.800 -9.926 1.888 139 H LEU 20 H LEU 20 1.625 -7.145 1.764 140 HA LEU 20 HA LEU 20 3.689 -5.844 0.157 141 HB2 LEU 20 2HB LEU 20 1.517 -6.930 -0.801 142 HB3 LEU 20 1HB LEU 20 0.705 -5.612 0.008 143 HG LEU 20 HG LEU 20 1.990 -4.032 -1.365 144 HD11 LEU 20 1HD1 LEU 20 3.867 -5.511 -1.821 145 HD12 LEU 20 2HD1 LEU 20 3.127 -4.887 -3.299 146 HD13 LEU 20 3HD1 LEU 20 2.805 -6.554 -2.771 147 HD21 LEU 20 3HD2 LEU 20 0.404 -6.122 -2.818 148 HD22 LEU 20 1HD2 LEU 20 0.755 -4.508 -3.414 149 HD23 LEU 20 2HD2 LEU 20 -0.266 -4.715 -1.984 150 H LYS 21 H LYS 21 3.799 -3.546 0.610 151 HA LYS 21 HA LYS 21 1.944 -2.539 2.608 152 HB2 LYS 21 2HB LYS 21 3.941 -3.613 3.777 153 HB3 LYS 21 1HB LYS 21 4.885 -2.304 3.067 154 HG2 LYS 21 2HG LYS 21 4.375 -1.738 5.340 155 HG3 LYS 21 1HG LYS 21 3.447 -0.682 4.273 156 HD2 LYS 21 2HD LYS 21 1.462 -2.022 4.599 157 HD3 LYS 21 1HD LYS 21 2.373 -3.194 5.548 158 HE2 LYS 21 2HE LYS 21 1.828 -0.318 6.293 159 HE3 LYS 21 1HE LYS 21 1.027 -1.727 6.959 160 HZ1 LYS 21 3HZ LYS 21 2.719 -1.005 8.470 161 HZ2 LYS 21 1HZ LYS 21 3.911 -1.066 7.276 162 HZ3 LYS 21 2HZ LYS 21 3.179 -2.478 7.824 163 H CYS 22 H CYS 22 1.601 -0.495 2.389 164 HA CYS 22 HA CYS 22 3.129 1.049 0.478 165 HB2 CYS 22 2HB CYS 22 0.645 1.261 0.531 166 HB3 CYS 22 1HB CYS 22 0.755 1.817 2.198 167 H GLY 23 H GLY 23 5.033 1.481 1.415 168 HA2 GLY 23 2HA GLY 23 5.416 1.904 4.182 169 HA3 GLY 23 1HA GLY 23 6.582 2.258 2.913 170 H SER 24 H SER 24 6.249 3.847 5.154 171 HA SER 24 HA SER 24 4.518 6.026 4.725 172 HB2 SER 24 2HB SER 24 6.106 7.056 6.518 173 HB3 SER 24 1HB SER 24 5.088 5.680 6.951 174 HG SER 24 HG SER 24 6.748 4.426 7.052 175 H ASN 25 H ASN 25 7.539 5.210 3.432 176 HA ASN 25 HA ASN 25 7.896 7.933 2.350 177 HB2 ASN 25 2HB ASN 25 9.905 5.679 2.518 178 HB3 ASN 25 1HB ASN 25 10.210 7.253 1.807 179 HD21 ASN 25 1HD2 ASN 25 10.449 9.013 3.155 180 HD22 ASN 25 2HD2 ASN 25 10.755 8.853 4.841 181 H HIS 26 H HIS 26 6.251 5.391 1.513 182 HA HIS 26 HA HIS 26 7.361 5.069 -1.186 183 HB2 HIS 26 2HB HIS 26 5.239 3.459 0.265 184 HB3 HIS 26 1HB HIS 26 5.666 3.265 -1.439 185 HD1 HIS 26 1HD HIS 26 6.309 0.836 -1.090 186 HD2 HIS 26 2HD HIS 26 8.373 3.553 1.204 187 HE1 HIS 26 1HE HIS 26 8.192 -0.489 -0.023 188 H ASN 27 H ASN 27 5.695 4.899 -2.902 189 HA ASN 27 HA ASN 27 3.284 6.507 -2.435 190 HB2 ASN 27 2HB ASN 27 4.964 7.890 -3.629 191 HB3 ASN 27 1HB ASN 27 5.182 6.606 -4.802 192 HD21 ASN 27 1HD2 ASN 27 2.029 7.680 -3.613 193 HD22 ASN 27 2HD2 ASN 27 1.505 8.344 -5.101 194 H TRP 28 H TRP 28 4.289 3.710 -2.723 195 HA TRP 28 HA TRP 28 2.213 2.659 -4.394 196 HB2 TRP 28 2HB TRP 28 3.860 1.211 -5.693 197 HB3 TRP 28 1HB TRP 28 3.725 2.895 -6.170 198 HD1 TRP 28 HD TRP 28 5.846 1.939 -3.134 199 HE1 TRP 28 1HE TRP 28 8.302 2.352 -3.645 200 HE3 TRP 28 3HE TRP 28 5.465 2.989 -8.117 201 HZ2 TRP 28 2HZ TRP 28 9.879 2.955 -5.824 202 HZ3 TRP 28 3HZ TRP 28 7.533 3.467 -9.359 203 HH2 TRP 28 HH TRP 28 9.703 3.461 -8.244 204 H CYS 29 H CYS 29 1.914 0.494 -4.232 205 HA CYS 29 HA CYS 29 2.565 -0.710 -1.718 206 HB2 CYS 29 2HB CYS 29 1.067 -1.644 -4.142 207 HB3 CYS 29 1HB CYS 29 1.245 -2.627 -2.709 208 H LYS 30 H LYS 30 4.569 -1.489 -1.486 209 HA LYS 30 HA LYS 30 5.618 -3.252 -3.617 210 HB2 LYS 30 2HB LYS 30 7.204 -1.581 -1.661 211 HB3 LYS 30 1HB LYS 30 7.902 -2.836 -2.664 212 HG2 LYS 30 2HG LYS 30 7.187 -1.546 -4.680 213 HG3 LYS 30 1HG LYS 30 6.630 -0.264 -3.610 214 HD2 LYS 30 2HD LYS 30 8.812 0.285 -4.430 215 HD3 LYS 30 1HD LYS 30 8.911 -0.068 -2.708 216 HE2 LYS 30 2HE LYS 30 10.775 -1.039 -3.958 217 HE3 LYS 30 1HE LYS 30 9.798 -2.282 -3.191 218 HZ1 LYS 30 3HZ LYS 30 10.437 -2.814 -5.486 219 HZ2 LYS 30 1HZ LYS 30 9.578 -1.492 -6.050 220 HZ3 LYS 30 2HZ LYS 30 8.779 -2.777 -5.303 221 H LEU 31 H LEU 31 7.005 -5.031 -2.802 222 HA LEU 31 HA LEU 31 5.641 -6.410 -0.714 223 HB2 LEU 31 2HB LEU 31 8.187 -7.037 -2.205 224 HB3 LEU 31 1HB LEU 31 7.489 -8.100 -1.004 225 HG LEU 31 HG LEU 31 6.137 -7.297 -3.585 226 HD11 LEU 31 1HD1 LEU 31 6.604 -9.601 -4.273 227 HD12 LEU 31 2HD1 LEU 31 7.531 -9.848 -2.794 228 HD13 LEU 31 3HD1 LEU 31 8.084 -8.683 -3.999 229 HD21 LEU 31 3HD2 LEU 31 4.572 -9.099 -3.021 230 HD22 LEU 31 1HD2 LEU 31 4.553 -7.830 -1.798 231 HD23 LEU 31 2HD2 LEU 31 5.404 -9.342 -1.487 232 H HIS 32 H HIS 32 6.041 -6.417 1.362 233 HA HIS 32 HA HIS 32 8.625 -5.485 2.304 234 HB2 HIS 32 2HB HIS 32 6.994 -3.565 2.086 235 HB3 HIS 32 1HB HIS 32 6.025 -4.357 3.311 236 HD1 HIS 32 1HD HIS 32 8.832 -2.053 2.931 237 HD2 HIS 32 2HD HIS 32 7.407 -4.595 5.884 238 HE1 HIS 32 1HE HIS 32 9.843 -1.257 5.092 239 H LEU 33 H LEU 33 9.175 -7.226 3.381 240 HA LEU 33 HA LEU 33 7.237 -8.369 5.230 241 HB2 LEU 33 2HB LEU 33 9.482 -9.755 3.743 242 HB3 LEU 33 1HB LEU 33 8.639 -10.473 5.094 243 HG LEU 33 HG LEU 33 7.751 -11.455 3.166 244 HD11 LEU 33 1HD1 LEU 33 6.094 -10.948 4.800 245 HD12 LEU 33 2HD1 LEU 33 5.411 -10.832 3.177 246 HD13 LEU 33 3HD1 LEU 33 5.808 -9.367 4.070 247 HD21 LEU 33 3HD2 LEU 33 8.498 -9.897 1.458 248 HD22 LEU 33 1HD2 LEU 33 7.321 -8.700 2.002 249 HD23 LEU 33 2HD2 LEU 33 6.772 -10.210 1.275 Start of MODEL 11 1 H1 ASP 1 1HT ASP 1 -11.394 -3.394 -0.938 2 H2 ASP 1 2HT ASP 1 -10.794 -4.617 -0.006 3 H3 ASP 1 3HT ASP 1 -12.089 -4.942 -1.056 4 HA ASP 1 HA ASP 1 -10.045 -5.791 -1.951 5 HB2 ASP 1 2HB ASP 1 -9.922 -4.530 -4.087 6 HB3 ASP 1 1HB ASP 1 -11.582 -4.841 -3.613 7 H CYS 2 H CYS 2 -7.907 -5.745 -1.929 8 HA CYS 2 HA CYS 2 -6.686 -3.492 -0.576 9 HB2 CYS 2 2HB CYS 2 -4.719 -4.997 -0.387 10 HB3 CYS 2 1HB CYS 2 -6.182 -5.654 0.333 11 H LEU 3 H LEU 3 -4.613 -2.679 -1.311 12 HA LEU 3 HA LEU 3 -4.520 -2.302 -4.180 13 HB2 LEU 3 2HB LEU 3 -2.650 -1.298 -2.027 14 HB3 LEU 3 1HB LEU 3 -2.690 -0.785 -3.691 15 HG LEU 3 HG LEU 3 -4.918 -0.345 -1.735 16 HD11 LEU 3 1HD1 LEU 3 -4.124 1.983 -1.712 17 HD12 LEU 3 2HD1 LEU 3 -2.773 1.512 -2.744 18 HD13 LEU 3 3HD1 LEU 3 -2.893 0.870 -1.104 19 HD21 LEU 3 3HD2 LEU 3 -4.380 0.824 -4.455 20 HD22 LEU 3 1HD2 LEU 3 -5.759 1.195 -3.421 21 HD23 LEU 3 2HD2 LEU 3 -5.563 -0.428 -4.109 22 H LYS 4 H LYS 4 -3.083 -3.235 -5.461 23 HA LYS 4 HA LYS 4 -1.595 -5.461 -4.319 24 HB2 LYS 4 2HB LYS 4 -2.239 -4.818 -7.192 25 HB3 LYS 4 1HB LYS 4 -1.332 -6.225 -6.662 26 HG2 LYS 4 2HG LYS 4 -3.307 -6.945 -5.349 27 HG3 LYS 4 1HG LYS 4 -4.203 -5.581 -6.015 28 HD2 LYS 4 2HD LYS 4 -4.712 -7.609 -7.262 29 HD3 LYS 4 1HD LYS 4 -3.831 -6.470 -8.281 30 HE2 LYS 4 2HE LYS 4 -1.777 -7.700 -7.956 31 HE3 LYS 4 1HE LYS 4 -2.566 -8.788 -6.815 32 HZ1 LYS 4 3HZ LYS 4 -3.909 -9.630 -8.578 33 HZ2 LYS 4 1HZ LYS 4 -2.290 -9.726 -9.025 34 HZ3 LYS 4 2HZ LYS 4 -3.256 -8.523 -9.690 35 H PHE 5 H PHE 5 0.463 -5.943 -5.869 36 HA PHE 5 HA PHE 5 2.364 -4.105 -4.935 37 HB2 PHE 5 2HB PHE 5 2.838 -6.515 -5.364 38 HB3 PHE 5 1HB PHE 5 2.712 -6.200 -7.088 39 HD1 PHE 5 2HD PHE 5 4.702 -5.483 -4.062 40 HD2 PHE 5 1HD PHE 5 4.544 -5.313 -8.312 41 HE1 PHE 5 2HE PHE 5 7.094 -4.959 -4.123 42 HE2 PHE 5 1HE PHE 5 6.945 -4.785 -8.375 43 HZ PHE 5 HZ PHE 5 8.222 -4.612 -6.270 44 H GLY 6 H GLY 6 3.049 -2.303 -5.704 45 HA2 GLY 6 2HA GLY 6 3.759 -0.769 -7.275 46 HA3 GLY 6 1HA GLY 6 3.117 -1.809 -8.538 47 H TRP 7 H TRP 7 0.765 -1.372 -6.153 48 HA TRP 7 HA TRP 7 -0.628 0.417 -7.938 49 HB2 TRP 7 2HB TRP 7 -1.467 -1.077 -5.470 50 HB3 TRP 7 1HB TRP 7 -2.490 0.166 -6.178 51 HD1 TRP 7 HD TRP 7 -0.543 -2.318 -8.378 52 HE1 TRP 7 1HE TRP 7 -2.245 -3.832 -9.588 53 HE3 TRP 7 3HE TRP 7 -4.809 -0.785 -6.045 54 HZ2 TRP 7 2HZ TRP 7 -5.005 -4.307 -9.554 55 HZ3 TRP 7 3HZ TRP 7 -6.942 -1.819 -6.686 56 HH2 TRP 7 HH TRP 7 -7.040 -3.545 -8.406 57 H LYS 8 H LYS 8 -1.283 2.391 -7.507 58 HA LYS 8 HA LYS 8 0.361 4.078 -5.983 59 HB2 LYS 8 2HB LYS 8 -0.773 4.877 -7.924 60 HB3 LYS 8 1HB LYS 8 -2.340 4.436 -7.264 61 HG2 LYS 8 2HG LYS 8 -2.131 6.799 -7.168 62 HG3 LYS 8 1HG LYS 8 -1.992 6.179 -5.526 63 HD2 LYS 8 2HD LYS 8 0.440 6.375 -5.664 64 HD3 LYS 8 1HD LYS 8 0.288 7.008 -7.306 65 HE2 LYS 8 2HE LYS 8 -0.820 8.253 -4.798 66 HE3 LYS 8 1HE LYS 8 0.572 8.822 -5.717 67 HZ1 LYS 8 3HZ LYS 8 -1.319 10.127 -6.295 68 HZ2 LYS 8 1HZ LYS 8 -2.256 8.764 -6.620 69 HZ3 LYS 8 2HZ LYS 8 -0.958 9.148 -7.616 70 H CYS 9 H CYS 9 0.228 4.720 -3.953 71 HA CYS 9 HA CYS 9 -2.239 4.269 -2.450 72 HB2 CYS 9 2HB CYS 9 -0.940 3.286 -0.610 73 HB3 CYS 9 1HB CYS 9 -0.837 2.307 -2.072 74 H ASN 10 H ASN 10 -2.242 5.449 -0.425 75 HA ASN 10 HA ASN 10 -0.571 7.833 -0.476 76 HB2 ASN 10 2HB ASN 10 -3.135 7.181 1.028 77 HB3 ASN 10 1HB ASN 10 -2.219 8.661 1.262 78 HD21 ASN 10 1HD2 ASN 10 -4.971 8.239 0.283 79 HD22 ASN 10 2HD2 ASN 10 -5.032 8.964 -1.274 80 HA PRO 11 HA PRO 11 2.051 5.400 2.121 81 HB2 PRO 11 2HB PRO 11 3.469 7.594 3.166 82 HB3 PRO 11 1HB PRO 11 3.904 6.609 1.771 83 HG2 PRO 11 2HG PRO 11 2.562 9.245 1.883 84 HG3 PRO 11 1HG PRO 11 3.631 8.583 0.639 85 HD2 PRO 11 2HD PRO 11 0.979 8.816 0.297 86 HD3 PRO 11 1HD PRO 11 1.899 7.483 -0.430 87 H ARG 12 H ARG 12 0.206 8.023 3.488 88 HA ARG 12 HA ARG 12 0.815 7.406 6.221 89 HB2 ARG 12 2HB ARG 12 -1.457 8.925 5.014 90 HB3 ARG 12 1HB ARG 12 -1.175 8.769 6.739 91 HG2 ARG 12 2HG ARG 12 0.986 9.871 6.465 92 HG3 ARG 12 1HG ARG 12 0.667 10.060 4.740 93 HD2 ARG 12 2HD ARG 12 -0.956 11.139 7.001 94 HD3 ARG 12 1HD ARG 12 0.131 12.083 5.977 95 HE ARG 12 HE ARG 12 -1.754 10.777 4.369 96 HH11 ARG 12 1HH1 ARG 12 -1.612 13.373 6.740 97 HH12 ARG 12 2HH1 ARG 12 -2.959 14.219 6.135 98 HH21 ARG 12 1HH2 ARG 12 -3.654 11.922 3.536 99 HH22 ARG 12 2HH2 ARG 12 -4.142 13.362 4.285 100 H ASN 13 H ASN 13 -1.589 6.314 3.949 101 HA ASN 13 HA ASN 13 -2.772 4.676 6.080 102 HB2 ASN 13 2HB ASN 13 -4.274 6.534 5.439 103 HB3 ASN 13 1HB ASN 13 -4.233 5.980 3.773 104 HD21 ASN 13 1HD2 ASN 13 -6.450 5.717 3.767 105 HD22 ASN 13 2HD2 ASN 13 -7.248 4.419 4.574 106 H ASP 14 H ASP 14 -1.869 2.795 5.660 107 HA ASP 14 HA ASP 14 -1.299 1.867 3.012 108 HB2 ASP 14 2HB ASP 14 0.084 1.220 4.965 109 HB3 ASP 14 1HB ASP 14 -1.291 0.319 5.601 110 H LYS 15 H LYS 15 -2.578 0.793 1.713 111 HA LYS 15 HA LYS 15 -4.907 -0.631 2.815 112 HB2 LYS 15 2HB LYS 15 -4.785 0.941 0.231 113 HB3 LYS 15 1HB LYS 15 -6.180 0.046 0.802 114 HG2 LYS 15 2HG LYS 15 -4.979 2.521 2.052 115 HG3 LYS 15 1HG LYS 15 -6.480 2.441 1.137 116 HD2 LYS 15 2HD LYS 15 -5.932 1.021 3.733 117 HD3 LYS 15 1HD LYS 15 -6.823 2.531 3.582 118 HE2 LYS 15 2HE LYS 15 -8.549 1.424 2.293 119 HE3 LYS 15 1HE LYS 15 -7.632 -0.078 2.284 120 HZ1 LYS 15 3HZ LYS 15 -8.670 1.242 4.733 121 HZ2 LYS 15 1HZ LYS 15 -7.873 -0.238 4.645 122 HZ3 LYS 15 2HZ LYS 15 -9.405 -0.059 3.952 123 H CYS 16 H CYS 16 -2.104 -1.362 1.954 124 HA CYS 16 HA CYS 16 -2.497 -2.654 -0.591 125 HB2 CYS 16 2HB CYS 16 -0.064 -2.762 1.204 126 HB3 CYS 16 1HB CYS 16 -0.133 -3.142 -0.513 127 H CYS 17 H CYS 17 -2.045 -4.948 -0.890 128 HA CYS 17 HA CYS 17 -3.624 -6.572 0.716 129 HB2 CYS 17 2HB CYS 17 -1.487 -7.424 -1.237 130 HB3 CYS 17 1HB CYS 17 -2.803 -8.431 -0.648 131 H SER 18 H SER 18 -2.903 -8.712 1.687 132 HA SER 18 HA SER 18 -1.267 -8.200 3.902 133 HB2 SER 18 2HB SER 18 -2.300 -10.825 2.835 134 HB3 SER 18 1HB SER 18 -1.769 -10.506 4.493 135 HG SER 18 HG SER 18 -4.116 -9.849 3.207 136 H GLY 19 H GLY 19 0.876 -8.234 3.999 137 HA2 GLY 19 2HA GLY 19 3.004 -9.220 3.759 138 HA3 GLY 19 1HA GLY 19 2.402 -10.129 2.373 139 H LEU 20 H LEU 20 1.338 -6.962 2.325 140 HA LEU 20 HA LEU 20 3.482 -6.089 0.539 141 HB2 LEU 20 2HB LEU 20 1.146 -7.058 -0.304 142 HB3 LEU 20 1HB LEU 20 0.614 -5.450 0.114 143 HG LEU 20 HG LEU 20 2.354 -4.567 -1.450 144 HD11 LEU 20 1HD1 LEU 20 3.185 -6.209 -3.112 145 HD12 LEU 20 2HD1 LEU 20 2.522 -7.503 -2.098 146 HD13 LEU 20 3HD1 LEU 20 3.816 -6.481 -1.484 147 HD21 LEU 20 3HD2 LEU 20 0.280 -6.433 -2.554 148 HD22 LEU 20 1HD2 LEU 20 1.054 -5.103 -3.410 149 HD23 LEU 20 2HD2 LEU 20 0.002 -4.768 -2.033 150 H LYS 21 H LYS 21 3.690 -3.713 0.667 151 HA LYS 21 HA LYS 21 1.921 -2.359 2.511 152 HB2 LYS 21 2HB LYS 21 3.813 -3.407 3.854 153 HB3 LYS 21 1HB LYS 21 4.866 -2.248 3.048 154 HG2 LYS 21 2HG LYS 21 3.375 -0.431 3.835 155 HG3 LYS 21 1HG LYS 21 2.513 -1.622 4.796 156 HD2 LYS 21 2HD LYS 21 4.610 -2.108 5.991 157 HD3 LYS 21 1HD LYS 21 5.404 -0.829 5.058 158 HE2 LYS 21 2HE LYS 21 3.089 -0.540 6.960 159 HE3 LYS 21 1HE LYS 21 4.715 0.115 7.151 160 HZ1 LYS 21 3HZ LYS 21 2.745 0.931 5.064 161 HZ2 LYS 21 1HZ LYS 21 4.319 1.532 5.203 162 HZ3 LYS 21 2HZ LYS 21 3.196 1.830 6.412 163 H CYS 22 H CYS 22 1.810 -0.274 2.189 164 HA CYS 22 HA CYS 22 2.854 0.954 -0.168 165 HB2 CYS 22 2HB CYS 22 0.648 1.524 0.781 166 HB3 CYS 22 1HB CYS 22 1.432 2.128 2.235 167 H GLY 23 H GLY 23 4.740 1.910 -0.373 168 HA2 GLY 23 2HA GLY 23 6.537 1.964 1.827 169 HA3 GLY 23 1HA GLY 23 6.913 2.507 0.206 170 H SER 24 H SER 24 7.538 3.651 2.782 171 HA SER 24 HA SER 24 5.960 5.976 3.199 172 HB2 SER 24 2HB SER 24 7.982 6.495 4.687 173 HB3 SER 24 1HB SER 24 7.046 5.044 5.067 174 HG SER 24 HG SER 24 9.185 4.508 5.066 175 H ASN 25 H ASN 25 8.979 5.213 1.627 176 HA ASN 25 HA ASN 25 9.294 7.973 0.683 177 HB2 ASN 25 2HB ASN 25 11.241 5.652 0.648 178 HB3 ASN 25 1HB ASN 25 11.565 7.228 -0.051 179 HD21 ASN 25 1HD2 ASN 25 10.262 8.709 2.138 180 HD22 ASN 25 2HD2 ASN 25 11.311 8.564 3.490 181 H HIS 26 H HIS 26 7.717 5.426 -0.196 182 HA HIS 26 HA HIS 26 8.253 5.751 -3.054 183 HB2 HIS 26 2HB HIS 26 7.061 3.308 -1.644 184 HB3 HIS 26 1HB HIS 26 7.236 3.513 -3.369 185 HD1 HIS 26 1HD HIS 26 9.268 2.650 -0.284 186 HD2 HIS 26 2HD HIS 26 9.719 3.220 -4.367 187 HE1 HIS 26 1HE HIS 26 11.527 1.766 -0.839 188 H ASN 27 H ASN 27 6.036 5.139 -4.225 189 HA ASN 27 HA ASN 27 3.888 6.483 -2.729 190 HB2 ASN 27 2HB ASN 27 5.167 7.968 -4.407 191 HB3 ASN 27 1HB ASN 27 4.460 6.959 -5.656 192 HD21 ASN 27 1HD2 ASN 27 2.805 7.972 -2.720 193 HD22 ASN 27 2HD2 ASN 27 1.667 8.992 -3.513 194 H TRP 28 H TRP 28 4.619 3.736 -3.408 195 HA TRP 28 HA TRP 28 2.065 2.902 -4.381 196 HB2 TRP 28 2HB TRP 28 3.001 1.301 -6.074 197 HB3 TRP 28 1HB TRP 28 3.233 2.976 -6.471 198 HD1 TRP 28 HD TRP 28 5.551 0.718 -4.303 199 HE1 TRP 28 1HE TRP 28 7.894 0.734 -5.417 200 HE3 TRP 28 3HE TRP 28 4.491 3.496 -8.387 201 HZ2 TRP 28 2HZ TRP 28 9.075 1.725 -7.628 202 HZ3 TRP 28 3HZ TRP 28 6.311 3.963 -10.019 203 HH2 TRP 28 HH TRP 28 8.567 3.093 -9.650 204 H CYS 29 H CYS 29 1.850 0.565 -4.196 205 HA CYS 29 HA CYS 29 2.726 -0.386 -1.633 206 HB2 CYS 29 2HB CYS 29 1.146 -1.644 -3.838 207 HB3 CYS 29 1HB CYS 29 1.380 -2.443 -2.311 208 H LYS 30 H LYS 30 4.585 -1.382 -1.251 209 HA LYS 30 HA LYS 30 5.718 -3.109 -3.335 210 HB2 LYS 30 2HB LYS 30 7.191 -1.680 -1.103 211 HB3 LYS 30 1HB LYS 30 7.913 -2.770 -2.273 212 HG2 LYS 30 2HG LYS 30 7.207 -1.127 -4.072 213 HG3 LYS 30 1HG LYS 30 6.767 -0.037 -2.761 214 HD2 LYS 30 2HD LYS 30 8.942 0.537 -3.485 215 HD3 LYS 30 1HD LYS 30 9.099 -0.255 -1.918 216 HE2 LYS 30 2HE LYS 30 9.742 -2.346 -3.019 217 HE3 LYS 30 1HE LYS 30 9.491 -1.581 -4.591 218 HZ1 LYS 30 3HZ LYS 30 11.578 -0.809 -2.607 219 HZ2 LYS 30 1HZ LYS 30 11.269 -0.032 -4.069 220 HZ3 LYS 30 2HZ LYS 30 11.809 -1.587 -4.079 221 H LEU 31 H LEU 31 7.515 -4.420 -1.570 222 HA LEU 31 HA LEU 31 5.664 -6.293 -0.436 223 HB2 LEU 31 2HB LEU 31 8.667 -6.191 -0.328 224 HB3 LEU 31 1HB LEU 31 7.673 -7.566 0.111 225 HG LEU 31 HG LEU 31 7.917 -6.386 -2.655 226 HD11 LEU 31 1HD1 LEU 31 9.002 -8.932 -1.498 227 HD12 LEU 31 2HD1 LEU 31 9.938 -7.508 -1.965 228 HD13 LEU 31 3HD1 LEU 31 9.080 -8.444 -3.189 229 HD21 LEU 31 3HD2 LEU 31 6.448 -8.842 -1.692 230 HD22 LEU 31 1HD2 LEU 31 6.673 -8.365 -3.375 231 HD23 LEU 31 2HD2 LEU 31 5.716 -7.354 -2.300 232 H HIS 32 H HIS 32 5.357 -6.785 1.711 233 HA HIS 32 HA HIS 32 5.886 -4.679 3.608 234 HB2 HIS 32 2HB HIS 32 3.761 -6.016 3.600 235 HB3 HIS 32 1HB HIS 32 4.697 -7.434 4.036 236 HD1 HIS 32 1HD HIS 32 5.164 -7.771 6.561 237 HD2 HIS 32 2HD HIS 32 3.486 -4.072 5.657 238 HE1 HIS 32 1HE HIS 32 4.511 -6.737 8.744 239 H LEU 33 H LEU 33 7.870 -4.531 4.306 240 HA LEU 33 HA LEU 33 9.533 -6.881 4.596 241 HB2 LEU 33 2HB LEU 33 10.202 -3.966 5.048 242 HB3 LEU 33 1HB LEU 33 11.342 -5.290 4.998 243 HG LEU 33 HG LEU 33 9.726 -4.242 2.676 244 HD11 LEU 33 1HD1 LEU 33 11.902 -3.590 1.779 245 HD12 LEU 33 2HD1 LEU 33 12.669 -4.121 3.276 246 HD13 LEU 33 3HD1 LEU 33 11.532 -2.773 3.295 247 HD21 LEU 33 3HD2 LEU 33 11.004 -5.801 1.297 248 HD22 LEU 33 1HD2 LEU 33 10.030 -6.662 2.485 249 HD23 LEU 33 2HD2 LEU 33 11.767 -6.469 2.739 Start of MODEL 12 1 H1 ASP 1 1HT ASP 1 -11.254 -2.931 -1.527 2 H2 ASP 1 2HT ASP 1 -12.094 -3.908 -2.612 3 H3 ASP 1 3HT ASP 1 -10.864 -2.865 -3.162 4 HA ASP 1 HA ASP 1 -10.453 -5.086 -1.283 5 HB2 ASP 1 2HB ASP 1 -9.718 -4.881 -4.229 6 HB3 ASP 1 1HB ASP 1 -9.141 -6.135 -3.146 7 H CYS 2 H CYS 2 -7.908 -5.597 -1.653 8 HA CYS 2 HA CYS 2 -6.657 -3.213 -0.664 9 HB2 CYS 2 2HB CYS 2 -4.752 -4.746 -0.258 10 HB3 CYS 2 1HB CYS 2 -6.251 -5.244 0.518 11 H LEU 3 H LEU 3 -4.670 -2.439 -1.442 12 HA LEU 3 HA LEU 3 -4.534 -2.291 -4.303 13 HB2 LEU 3 2HB LEU 3 -2.627 -1.218 -2.223 14 HB3 LEU 3 1HB LEU 3 -2.704 -0.773 -3.907 15 HG LEU 3 HG LEU 3 -4.919 -0.248 -1.947 16 HD11 LEU 3 1HD1 LEU 3 -4.132 2.058 -1.998 17 HD12 LEU 3 2HD1 LEU 3 -2.761 1.559 -2.995 18 HD13 LEU 3 3HD1 LEU 3 -2.911 0.967 -1.338 19 HD21 LEU 3 3HD2 LEU 3 -4.372 0.732 -4.738 20 HD22 LEU 3 1HD2 LEU 3 -5.687 1.278 -3.696 21 HD23 LEU 3 2HD2 LEU 3 -5.639 -0.398 -4.256 22 H LYS 4 H LYS 4 -3.108 -3.264 -5.571 23 HA LYS 4 HA LYS 4 -1.640 -5.490 -4.420 24 HB2 LYS 4 2HB LYS 4 -2.350 -4.815 -7.257 25 HB3 LYS 4 1HB LYS 4 -1.300 -6.152 -6.836 26 HG2 LYS 4 2HG LYS 4 -3.161 -7.087 -5.469 27 HG3 LYS 4 1HG LYS 4 -4.188 -5.795 -6.100 28 HD2 LYS 4 2HD LYS 4 -3.902 -6.567 -8.341 29 HD3 LYS 4 1HD LYS 4 -2.676 -7.728 -7.837 30 HE2 LYS 4 2HE LYS 4 -4.402 -8.874 -6.474 31 HE3 LYS 4 1HE LYS 4 -5.604 -7.764 -7.128 32 HZ1 LYS 4 3HZ LYS 4 -5.163 -8.592 -9.325 33 HZ2 LYS 4 1HZ LYS 4 -5.541 -9.881 -8.316 34 HZ3 LYS 4 2HZ LYS 4 -3.940 -9.607 -8.752 35 H PHE 5 H PHE 5 0.377 -6.027 -5.954 36 HA PHE 5 HA PHE 5 2.370 -4.272 -5.061 37 HB2 PHE 5 2HB PHE 5 2.698 -6.698 -5.351 38 HB3 PHE 5 1HB PHE 5 2.517 -6.509 -7.088 39 HD1 PHE 5 1HD PHE 5 4.541 -5.027 -4.336 40 HD2 PHE 5 2HD PHE 5 4.455 -6.543 -8.302 41 HE1 PHE 5 1HE PHE 5 6.968 -4.705 -4.505 42 HE2 PHE 5 2HE PHE 5 6.886 -6.215 -8.484 43 HZ PHE 5 HZ PHE 5 8.145 -5.293 -6.573 44 H GLY 6 H GLY 6 2.944 -2.456 -5.867 45 HA2 GLY 6 2HA GLY 6 3.778 -1.060 -7.550 46 HA3 GLY 6 1HA GLY 6 3.003 -2.082 -8.754 47 H TRP 7 H TRP 7 0.749 -1.565 -6.354 48 HA TRP 7 HA TRP 7 -0.545 0.359 -8.072 49 HB2 TRP 7 2HB TRP 7 -1.471 -1.132 -5.626 50 HB3 TRP 7 1HB TRP 7 -2.434 0.154 -6.344 51 HD1 TRP 7 HD TRP 7 -0.556 -2.387 -8.521 52 HE1 TRP 7 1HE TRP 7 -2.267 -3.846 -9.753 53 HE3 TRP 7 3HE TRP 7 -4.813 -0.720 -6.254 54 HZ2 TRP 7 2HZ TRP 7 -5.064 -4.243 -9.763 55 HZ3 TRP 7 3HZ TRP 7 -6.966 -1.692 -6.926 56 HH2 TRP 7 HH TRP 7 -7.090 -3.417 -8.646 57 H LYS 8 H LYS 8 -1.197 2.398 -7.462 58 HA LYS 8 HA LYS 8 0.636 3.738 -5.758 59 HB2 LYS 8 2HB LYS 8 -1.902 4.759 -7.038 60 HB3 LYS 8 1HB LYS 8 -0.698 5.758 -6.241 61 HG2 LYS 8 2HG LYS 8 -0.322 4.145 -8.754 62 HG3 LYS 8 1HG LYS 8 -0.452 5.901 -8.640 63 HD2 LYS 8 2HD LYS 8 1.612 5.894 -7.251 64 HD3 LYS 8 1HD LYS 8 1.744 4.159 -7.531 65 HE2 LYS 8 2HE LYS 8 1.800 4.598 -9.965 66 HE3 LYS 8 1HE LYS 8 1.811 6.325 -9.619 67 HZ1 LYS 8 3HZ LYS 8 3.858 4.362 -8.785 68 HZ2 LYS 8 1HZ LYS 8 3.881 6.005 -8.395 69 HZ3 LYS 8 2HZ LYS 8 4.043 5.496 -10.001 70 H CYS 9 H CYS 9 0.488 4.154 -3.734 71 HA CYS 9 HA CYS 9 -2.049 3.672 -2.351 72 HB2 CYS 9 2HB CYS 9 -0.700 2.914 -0.443 73 HB3 CYS 9 1HB CYS 9 -0.373 1.932 -1.868 74 H ASN 10 H ASN 10 -2.036 4.843 -0.248 75 HA ASN 10 HA ASN 10 -0.822 7.474 -0.559 76 HB2 ASN 10 2HB ASN 10 -3.305 6.592 0.944 77 HB3 ASN 10 1HB ASN 10 -2.575 8.173 1.170 78 HD21 ASN 10 1HD2 ASN 10 -5.226 7.462 0.179 79 HD22 ASN 10 2HD2 ASN 10 -5.345 8.163 -1.393 80 HA PRO 11 HA PRO 11 1.925 5.672 2.475 81 HB2 PRO 11 2HB PRO 11 3.269 8.012 3.051 82 HB3 PRO 11 1HB PRO 11 3.646 6.930 1.708 83 HG2 PRO 11 2HG PRO 11 2.009 9.428 1.727 84 HG3 PRO 11 1HG PRO 11 3.198 8.887 0.527 85 HD2 PRO 11 2HD PRO 11 0.610 8.671 0.064 86 HD3 PRO 11 1HD PRO 11 1.716 7.375 -0.431 87 H ARG 12 H ARG 12 -0.328 8.136 3.122 88 HA ARG 12 HA ARG 12 0.151 8.469 5.915 89 HB2 ARG 12 2HB ARG 12 -2.328 8.900 4.251 90 HB3 ARG 12 1HB ARG 12 -2.252 9.256 5.964 91 HG2 ARG 12 2HG ARG 12 -0.511 10.531 3.862 92 HG3 ARG 12 1HG ARG 12 -1.979 11.243 4.534 93 HD2 ARG 12 2HD ARG 12 -0.924 11.122 6.786 94 HD3 ARG 12 1HD ARG 12 0.565 10.574 6.013 95 HE ARG 12 HE ARG 12 -0.126 12.867 4.720 96 HH11 ARG 12 1HH1 ARG 12 0.667 12.025 8.076 97 HH12 ARG 12 2HH1 ARG 12 1.207 13.592 8.467 98 HH21 ARG 12 1HH2 ARG 12 0.604 15.006 5.291 99 HH22 ARG 12 2HH2 ARG 12 1.200 15.293 6.869 100 H ASN 13 H ASN 13 -1.912 6.274 4.010 101 HA ASN 13 HA ASN 13 -2.110 4.580 6.293 102 HB2 ASN 13 2HB ASN 13 -4.607 4.304 5.943 103 HB3 ASN 13 1HB ASN 13 -4.051 5.796 6.690 104 HD21 ASN 13 1HD2 ASN 13 -5.930 6.860 6.199 105 HD22 ASN 13 2HD2 ASN 13 -6.355 7.361 4.602 106 H ASP 14 H ASP 14 -1.700 2.652 5.793 107 HA ASP 14 HA ASP 14 -1.193 1.854 3.109 108 HB2 ASP 14 2HB ASP 14 0.085 1.109 5.127 109 HB3 ASP 14 1HB ASP 14 -1.306 0.145 5.589 110 H LYS 15 H LYS 15 -2.659 1.173 1.748 111 HA LYS 15 HA LYS 15 -4.956 -0.394 2.733 112 HB2 LYS 15 2HB LYS 15 -4.780 1.415 0.307 113 HB3 LYS 15 1HB LYS 15 -6.163 0.422 0.708 114 HG2 LYS 15 2HG LYS 15 -5.108 2.647 2.458 115 HG3 LYS 15 1HG LYS 15 -6.425 2.833 1.307 116 HD2 LYS 15 2HD LYS 15 -6.418 0.924 3.648 117 HD3 LYS 15 1HD LYS 15 -7.196 2.503 3.630 118 HE2 LYS 15 2HE LYS 15 -7.877 0.188 1.800 119 HE3 LYS 15 1HE LYS 15 -8.792 0.690 3.212 120 HZ1 LYS 15 3HZ LYS 15 -8.380 2.343 0.767 121 HZ2 LYS 15 1HZ LYS 15 -9.236 2.803 2.149 122 HZ3 LYS 15 2HZ LYS 15 -9.781 1.517 1.223 123 H CYS 16 H CYS 16 -2.167 -1.100 1.848 124 HA CYS 16 HA CYS 16 -2.493 -2.431 -0.694 125 HB2 CYS 16 2HB CYS 16 -0.209 -2.575 1.289 126 HB3 CYS 16 1HB CYS 16 -0.161 -3.080 -0.392 127 H CYS 17 H CYS 17 -2.071 -4.751 -0.870 128 HA CYS 17 HA CYS 17 -3.689 -6.276 0.828 129 HB2 CYS 17 2HB CYS 17 -1.604 -7.171 -1.159 130 HB3 CYS 17 1HB CYS 17 -2.819 -8.217 -0.436 131 H SER 18 H SER 18 -2.984 -8.299 1.952 132 HA SER 18 HA SER 18 -1.149 -7.742 3.989 133 HB2 SER 18 2HB SER 18 -2.407 -10.359 3.134 134 HB3 SER 18 1HB SER 18 -1.675 -10.032 4.706 135 HG SER 18 HG SER 18 -4.179 -9.645 4.092 136 H GLY 19 H GLY 19 1.005 -8.221 4.157 137 HA2 GLY 19 2HA GLY 19 3.021 -9.323 3.705 138 HA3 GLY 19 1HA GLY 19 2.256 -10.137 2.343 139 H LEU 20 H LEU 20 1.379 -7.013 2.215 140 HA LEU 20 HA LEU 20 3.546 -6.202 0.423 141 HB2 LEU 20 2HB LEU 20 1.144 -6.978 -0.396 142 HB3 LEU 20 1HB LEU 20 0.682 -5.394 0.177 143 HG LEU 20 HG LEU 20 2.378 -4.432 -1.394 144 HD11 LEU 20 1HD1 LEU 20 3.728 -6.435 -1.610 145 HD12 LEU 20 2HD1 LEU 20 3.132 -5.916 -3.197 146 HD13 LEU 20 3HD1 LEU 20 2.379 -7.278 -2.356 147 HD21 LEU 20 3HD2 LEU 20 0.199 -6.137 -2.552 148 HD22 LEU 20 1HD2 LEU 20 0.978 -4.766 -3.331 149 HD23 LEU 20 2HD2 LEU 20 -0.007 -4.517 -1.888 150 H LYS 21 H LYS 21 3.829 -3.810 0.559 151 HA LYS 21 HA LYS 21 2.337 -2.503 2.672 152 HB2 LYS 21 2HB LYS 21 4.198 -3.567 3.850 153 HB3 LYS 21 1HB LYS 21 5.335 -2.756 2.768 154 HG2 LYS 21 2HG LYS 21 4.553 -0.594 3.612 155 HG3 LYS 21 1HG LYS 21 3.471 -1.434 4.718 156 HD2 LYS 21 2HD LYS 21 5.357 -2.442 5.841 157 HD3 LYS 21 1HD LYS 21 6.477 -1.689 4.697 158 HE2 LYS 21 2HE LYS 21 4.664 -0.294 6.668 159 HE3 LYS 21 1HE LYS 21 6.420 -0.418 6.738 160 HZ1 LYS 21 3HZ LYS 21 5.792 1.721 5.892 161 HZ2 LYS 21 1HZ LYS 21 4.857 1.044 4.666 162 HZ3 LYS 21 2HZ LYS 21 6.518 0.854 4.646 163 H CYS 22 H CYS 22 2.217 -0.425 2.464 164 HA CYS 22 HA CYS 22 3.087 0.883 0.037 165 HB2 CYS 22 2HB CYS 22 0.865 1.343 1.000 166 HB3 CYS 22 1HB CYS 22 1.614 1.912 2.483 167 H GLY 23 H GLY 23 4.851 2.183 -0.129 168 HA2 GLY 23 2HA GLY 23 6.608 2.337 2.146 169 HA3 GLY 23 1HA GLY 23 6.990 3.007 0.581 170 H SER 24 H SER 24 7.056 3.985 3.363 171 HA SER 24 HA SER 24 5.041 5.970 3.655 172 HB2 SER 24 2HB SER 24 6.596 6.784 5.493 173 HB3 SER 24 1HB SER 24 6.003 5.130 5.636 174 HG SER 24 HG SER 24 7.974 4.548 5.681 175 H ASN 25 H ASN 25 8.267 5.937 2.383 176 HA ASN 25 HA ASN 25 8.097 8.798 1.738 177 HB2 ASN 25 2HB ASN 25 10.460 6.898 1.615 178 HB3 ASN 25 1HB ASN 25 10.518 8.584 1.121 179 HD21 ASN 25 1HD2 ASN 25 11.992 7.166 3.201 180 HD22 ASN 25 2HD2 ASN 25 11.663 7.999 4.674 181 H HIS 26 H HIS 26 6.885 6.274 0.487 182 HA HIS 26 HA HIS 26 7.575 6.952 -2.269 183 HB2 HIS 26 2HB HIS 26 7.024 4.177 -1.142 184 HB3 HIS 26 1HB HIS 26 7.123 4.544 -2.853 185 HD1 HIS 26 1HD HIS 26 9.227 3.746 0.109 186 HD2 HIS 26 2HD HIS 26 9.644 5.291 -3.701 187 HE1 HIS 26 1HE HIS 26 11.670 3.615 -0.391 188 H ASN 27 H ASN 27 5.624 5.639 -3.569 189 HA ASN 27 HA ASN 27 3.100 6.297 -2.232 190 HB2 ASN 27 2HB ASN 27 4.040 7.397 -4.865 191 HB3 ASN 27 1HB ASN 27 2.325 7.229 -4.511 192 HD21 ASN 27 1HD2 ASN 27 1.399 8.543 -2.970 193 HD22 ASN 27 2HD2 ASN 27 2.206 9.941 -2.361 194 H TRP 28 H TRP 28 4.511 3.844 -2.944 195 HA TRP 28 HA TRP 28 2.352 2.668 -4.441 196 HB2 TRP 28 2HB TRP 28 3.975 1.263 -5.771 197 HB3 TRP 28 1HB TRP 28 3.835 2.944 -6.237 198 HD1 TRP 28 HD TRP 28 6.063 1.864 -3.297 199 HE1 TRP 28 1HE TRP 28 8.527 2.241 -3.918 200 HE3 TRP 28 3HE TRP 28 5.506 3.194 -8.202 201 HZ2 TRP 28 2HZ TRP 28 10.009 2.967 -6.086 202 HZ3 TRP 28 3HZ TRP 28 7.532 3.728 -9.495 203 HH2 TRP 28 HH TRP 28 9.745 3.626 -8.468 204 H CYS 29 H CYS 29 2.072 0.539 -4.209 205 HA CYS 29 HA CYS 29 2.786 -0.561 -1.637 206 HB2 CYS 29 2HB CYS 29 1.134 -1.567 -3.930 207 HB3 CYS 29 1HB CYS 29 1.299 -2.489 -2.467 208 H LYS 30 H LYS 30 4.688 -1.543 -1.396 209 HA LYS 30 HA LYS 30 5.750 -3.160 -3.612 210 HB2 LYS 30 2HB LYS 30 7.233 -1.836 -1.325 211 HB3 LYS 30 1HB LYS 30 7.983 -2.836 -2.554 212 HG2 LYS 30 2HG LYS 30 6.571 -0.218 -3.076 213 HG3 LYS 30 1HG LYS 30 8.312 -0.406 -2.941 214 HD2 LYS 30 2HD LYS 30 6.618 -1.826 -5.004 215 HD3 LYS 30 1HD LYS 30 7.438 -0.293 -5.282 216 HE2 LYS 30 2HE LYS 30 9.577 -1.327 -4.840 217 HE3 LYS 30 1HE LYS 30 8.793 -2.874 -4.500 218 HZ1 LYS 30 3HZ LYS 30 9.645 -2.877 -6.732 219 HZ2 LYS 30 1HZ LYS 30 8.860 -1.430 -7.085 220 HZ3 LYS 30 2HZ LYS 30 7.958 -2.807 -6.822 221 H LEU 31 H LEU 31 7.332 -4.925 -2.495 222 HA LEU 31 HA LEU 31 5.553 -6.621 -1.020 223 HB2 LEU 31 2HB LEU 31 8.518 -6.926 -1.527 224 HB3 LEU 31 1HB LEU 31 7.447 -8.173 -0.938 225 HG LEU 31 HG LEU 31 7.329 -6.929 -3.689 226 HD11 LEU 31 1HD1 LEU 31 8.295 -9.636 -2.788 227 HD12 LEU 31 2HD1 LEU 31 9.299 -8.317 -3.393 228 HD13 LEU 31 3HD1 LEU 31 8.135 -9.102 -4.461 229 HD21 LEU 31 3HD2 LEU 31 5.126 -7.661 -2.927 230 HD22 LEU 31 1HD2 LEU 31 5.791 -9.240 -2.506 231 HD23 LEU 31 2HD2 LEU 31 5.739 -8.725 -4.190 232 H HIS 32 H HIS 32 5.480 -6.990 1.156 233 HA HIS 32 HA HIS 32 6.882 -5.123 2.805 234 HB2 HIS 32 2HB HIS 32 4.599 -5.859 3.420 235 HB3 HIS 32 1HB HIS 32 5.193 -7.505 3.619 236 HD1 HIS 32 1HD HIS 32 5.352 -8.015 6.087 237 HD2 HIS 32 2HD HIS 32 6.420 -4.102 5.207 238 HE1 HIS 32 1HE HIS 32 5.963 -6.953 8.280 239 H LEU 33 H LEU 33 8.927 -5.398 2.808 240 HA LEU 33 HA LEU 33 10.054 -8.024 3.426 241 HB2 LEU 33 2HB LEU 33 11.397 -5.562 2.290 242 HB3 LEU 33 1HB LEU 33 12.148 -7.121 2.536 243 HG LEU 33 HG LEU 33 9.949 -6.526 0.551 244 HD11 LEU 33 1HD1 LEU 33 12.888 -7.033 0.135 245 HD12 LEU 33 2HD1 LEU 33 12.052 -5.494 -0.076 246 HD13 LEU 33 3HD1 LEU 33 11.681 -6.852 -1.138 247 HD21 LEU 33 3HD2 LEU 33 10.430 -8.778 -0.316 248 HD22 LEU 33 1HD2 LEU 33 9.830 -8.822 1.341 249 HD23 LEU 33 2HD2 LEU 33 11.551 -9.044 1.022 Start of MODEL 13 1 H1 ASP 1 1HT ASP 1 -10.898 -2.259 -1.170 2 H2 ASP 1 2HT ASP 1 -10.953 -3.297 0.158 3 H3 ASP 1 3HT ASP 1 -11.996 -3.532 -1.174 4 HA ASP 1 HA ASP 1 -10.163 -5.095 -1.146 5 HB2 ASP 1 2HB ASP 1 -10.361 -3.117 -3.421 6 HB3 ASP 1 1HB ASP 1 -9.467 -4.629 -3.527 7 H CYS 2 H CYS 2 -7.930 -5.441 -1.405 8 HA CYS 2 HA CYS 2 -6.430 -3.251 -0.311 9 HB2 CYS 2 2HB CYS 2 -4.620 -4.913 -0.050 10 HB3 CYS 2 1HB CYS 2 -6.098 -5.379 0.771 11 H LEU 3 H LEU 3 -4.605 -2.458 -1.200 12 HA LEU 3 HA LEU 3 -4.661 -2.209 -4.037 13 HB2 LEU 3 2HB LEU 3 -2.579 -1.241 -2.079 14 HB3 LEU 3 1HB LEU 3 -2.819 -0.679 -3.717 15 HG LEU 3 HG LEU 3 -4.788 -0.329 -1.478 16 HD11 LEU 3 1HD1 LEU 3 -2.773 0.987 -1.114 17 HD12 LEU 3 2HD1 LEU 3 -4.120 2.038 -1.560 18 HD13 LEU 3 3HD1 LEU 3 -2.884 1.628 -2.753 19 HD21 LEU 3 3HD2 LEU 3 -5.774 -0.440 -3.734 20 HD22 LEU 3 1HD2 LEU 3 -4.726 0.882 -4.231 21 HD23 LEU 3 2HD2 LEU 3 -5.965 1.157 -2.998 22 H LYS 4 H LYS 4 -3.332 -3.120 -5.434 23 HA LYS 4 HA LYS 4 -2.009 -5.543 -4.504 24 HB2 LYS 4 2HB LYS 4 -2.673 -4.633 -7.304 25 HB3 LYS 4 1HB LYS 4 -1.992 -6.195 -6.885 26 HG2 LYS 4 2HG LYS 4 -4.009 -6.727 -5.602 27 HG3 LYS 4 1HG LYS 4 -4.687 -5.156 -6.035 28 HD2 LYS 4 2HD LYS 4 -4.562 -5.774 -8.410 29 HD3 LYS 4 1HD LYS 4 -3.932 -7.359 -7.960 30 HE2 LYS 4 2HE LYS 4 -6.001 -7.801 -6.703 31 HE3 LYS 4 1HE LYS 4 -6.615 -6.222 -7.192 32 HZ1 LYS 4 3HZ LYS 4 -5.965 -8.470 -9.018 33 HZ2 LYS 4 1HZ LYS 4 -6.547 -6.966 -9.507 34 HZ3 LYS 4 2HZ LYS 4 -7.493 -7.992 -8.565 35 H PHE 5 H PHE 5 -0.120 -6.112 -6.261 36 HA PHE 5 HA PHE 5 2.057 -4.595 -5.316 37 HB2 PHE 5 2HB PHE 5 2.217 -6.994 -5.886 38 HB3 PHE 5 1HB PHE 5 1.986 -6.601 -7.585 39 HD1 PHE 5 1HD PHE 5 4.247 -6.215 -4.710 40 HD2 PHE 5 2HD PHE 5 3.829 -5.926 -8.926 41 HE1 PHE 5 1HE PHE 5 6.683 -5.963 -4.927 42 HE2 PHE 5 2HE PHE 5 6.268 -5.676 -9.155 43 HZ PHE 5 HZ PHE 5 7.696 -5.698 -7.144 44 H GLY 6 H GLY 6 2.632 -2.693 -5.941 45 HA2 GLY 6 2HA GLY 6 3.541 -1.200 -7.498 46 HA3 GLY 6 1HA GLY 6 2.787 -2.126 -8.788 47 H TRP 7 H TRP 7 0.640 -1.494 -6.227 48 HA TRP 7 HA TRP 7 -0.648 0.502 -7.867 49 HB2 TRP 7 2HB TRP 7 -1.522 -0.979 -5.394 50 HB3 TRP 7 1HB TRP 7 -2.436 0.390 -6.022 51 HD1 TRP 7 HD TRP 7 -0.878 -2.205 -8.392 52 HE1 TRP 7 1HE TRP 7 -2.764 -3.490 -9.562 53 HE3 TRP 7 3HE TRP 7 -4.868 -0.359 -5.795 54 HZ2 TRP 7 2HZ TRP 7 -5.569 -3.709 -9.406 55 HZ3 TRP 7 3HZ TRP 7 -7.119 -1.164 -6.362 56 HH2 TRP 7 HH TRP 7 -7.461 -2.806 -8.132 57 H LYS 8 H LYS 8 -1.026 2.539 -7.328 58 HA LYS 8 HA LYS 8 0.909 3.812 -5.658 59 HB2 LYS 8 2HB LYS 8 -1.466 4.946 -7.144 60 HB3 LYS 8 1HB LYS 8 -0.153 5.882 -6.449 61 HG2 LYS 8 2HG LYS 8 0.195 3.833 -8.623 62 HG3 LYS 8 1HG LYS 8 0.011 5.561 -8.907 63 HD2 LYS 8 2HD LYS 8 2.059 5.999 -7.675 64 HD3 LYS 8 1HD LYS 8 2.212 4.288 -7.273 65 HE2 LYS 8 2HE LYS 8 3.690 4.909 -9.132 66 HE3 LYS 8 1HE LYS 8 2.471 3.739 -9.633 67 HZ1 LYS 8 3HZ LYS 8 2.455 6.671 -10.223 68 HZ2 LYS 8 1HZ LYS 8 1.197 5.609 -10.601 69 HZ3 LYS 8 2HZ LYS 8 2.675 5.403 -11.300 70 H CYS 9 H CYS 9 0.661 4.471 -3.654 71 HA CYS 9 HA CYS 9 -2.000 4.408 -2.430 72 HB2 CYS 9 2HB CYS 9 -0.771 3.460 -0.427 73 HB3 CYS 9 1HB CYS 9 -0.960 2.374 -1.806 74 H ASN 10 H ASN 10 -1.711 5.408 -0.099 75 HA ASN 10 HA ASN 10 -0.068 7.819 -0.372 76 HB2 ASN 10 2HB ASN 10 -2.791 7.521 0.919 77 HB3 ASN 10 1HB ASN 10 -1.821 8.985 0.953 78 HD21 ASN 10 1HD2 ASN 10 -4.447 8.473 -0.122 79 HD22 ASN 10 2HD2 ASN 10 -4.399 8.942 -1.791 80 HA PRO 11 HA PRO 11 1.937 6.493 3.304 81 HB2 PRO 11 2HB PRO 11 2.688 8.871 4.401 82 HB3 PRO 11 1HB PRO 11 3.465 8.177 2.974 83 HG2 PRO 11 2HG PRO 11 1.344 10.285 3.141 84 HG3 PRO 11 1HG PRO 11 2.801 10.247 2.130 85 HD2 PRO 11 2HD PRO 11 0.374 9.619 1.152 86 HD3 PRO 11 1HD PRO 11 1.847 8.802 0.595 87 H ARG 12 H ARG 12 -0.825 8.448 3.478 88 HA ARG 12 HA ARG 12 -1.029 8.530 6.364 89 HB2 ARG 12 2HB ARG 12 -2.950 9.269 4.188 90 HB3 ARG 12 1HB ARG 12 -3.292 9.442 5.898 91 HG2 ARG 12 2HG ARG 12 -1.068 10.815 4.381 92 HG3 ARG 12 1HG ARG 12 -2.598 11.550 4.861 93 HD2 ARG 12 2HD ARG 12 -0.521 10.449 6.751 94 HD3 ARG 12 1HD ARG 12 -0.749 12.149 6.366 95 HE ARG 12 HE ARG 12 -2.807 10.496 7.668 96 HH11 ARG 12 1HH1 ARG 12 -0.992 13.568 7.444 97 HH12 ARG 12 2HH1 ARG 12 -1.845 14.282 8.731 98 HH21 ARG 12 1HH2 ARG 12 -3.904 11.506 9.436 99 HH22 ARG 12 2HH2 ARG 12 -3.507 13.121 9.873 100 H ASN 13 H ASN 13 -2.115 6.508 3.807 101 HA ASN 13 HA ASN 13 -3.452 4.780 5.725 102 HB2 ASN 13 2HB ASN 13 -5.213 6.279 5.051 103 HB3 ASN 13 1HB ASN 13 -4.817 6.035 3.360 104 HD21 ASN 13 1HD2 ASN 13 -6.880 5.437 2.920 105 HD22 ASN 13 2HD2 ASN 13 -7.560 3.920 3.373 106 H ASP 14 H ASP 14 -2.369 3.003 5.368 107 HA ASP 14 HA ASP 14 -1.601 2.170 2.685 108 HB2 ASP 14 2HB ASP 14 -0.032 1.880 4.605 109 HB3 ASP 14 1HB ASP 14 -1.197 0.792 5.348 110 H LYS 15 H LYS 15 -2.858 0.872 1.563 111 HA LYS 15 HA LYS 15 -4.629 -0.922 3.004 112 HB2 LYS 15 2HB LYS 15 -5.305 0.816 0.646 113 HB3 LYS 15 1HB LYS 15 -6.200 -0.659 0.980 114 HG2 LYS 15 2HG LYS 15 -5.916 1.699 2.834 115 HG3 LYS 15 1HG LYS 15 -7.341 1.269 1.881 116 HD2 LYS 15 2HD LYS 15 -7.516 -0.859 3.096 117 HD3 LYS 15 1HD LYS 15 -6.088 -0.427 4.035 118 HE2 LYS 15 2HE LYS 15 -8.032 -0.009 5.320 119 HE3 LYS 15 1HE LYS 15 -7.225 1.503 4.901 120 HZ1 LYS 15 3HZ LYS 15 -9.673 0.416 3.584 121 HZ2 LYS 15 1HZ LYS 15 -8.885 1.831 3.133 122 HZ3 LYS 15 2HZ LYS 15 -9.612 1.736 4.631 123 H CYS 16 H CYS 16 -1.948 -1.278 1.887 124 HA CYS 16 HA CYS 16 -2.324 -2.680 -0.585 125 HB2 CYS 16 2HB CYS 16 0.066 -2.781 1.261 126 HB3 CYS 16 1HB CYS 16 0.034 -3.168 -0.448 127 H CYS 17 H CYS 17 -1.981 -4.974 -0.805 128 HA CYS 17 HA CYS 17 -3.507 -6.501 0.971 129 HB2 CYS 17 2HB CYS 17 -1.593 -7.427 -1.167 130 HB3 CYS 17 1HB CYS 17 -2.835 -8.423 -0.416 131 H SER 18 H SER 18 -2.799 -8.610 1.986 132 HA SER 18 HA SER 18 -0.995 -8.143 4.055 133 HB2 SER 18 2HB SER 18 -2.059 -10.758 2.991 134 HB3 SER 18 1HB SER 18 -1.393 -10.492 4.609 135 HG SER 18 HG SER 18 -3.087 -8.721 4.564 136 H GLY 19 H GLY 19 1.138 -8.052 3.951 137 HA2 GLY 19 2HA GLY 19 3.273 -9.044 3.623 138 HA3 GLY 19 1HA GLY 19 2.592 -10.017 2.321 139 H LEU 20 H LEU 20 1.473 -6.931 2.103 140 HA LEU 20 HA LEU 20 3.594 -6.045 0.307 141 HB2 LEU 20 2HB LEU 20 1.325 -7.000 -0.568 142 HB3 LEU 20 1HB LEU 20 0.658 -5.507 0.041 143 HG LEU 20 HG LEU 20 2.222 -4.291 -1.480 144 HD11 LEU 20 1HD1 LEU 20 2.603 -7.069 -2.563 145 HD12 LEU 20 2HD1 LEU 20 3.808 -6.140 -1.676 146 HD13 LEU 20 3HD1 LEU 20 3.231 -5.560 -3.251 147 HD21 LEU 20 3HD2 LEU 20 -0.115 -4.671 -2.046 148 HD22 LEU 20 1HD2 LEU 20 0.308 -6.256 -2.700 149 HD23 LEU 20 2HD2 LEU 20 0.927 -4.800 -3.469 150 H LYS 21 H LYS 21 3.954 -3.749 0.550 151 HA LYS 21 HA LYS 21 2.243 -2.314 2.405 152 HB2 LYS 21 2HB LYS 21 3.967 -3.366 3.830 153 HB3 LYS 21 1HB LYS 21 5.215 -2.580 2.868 154 HG2 LYS 21 2HG LYS 21 4.399 -0.399 3.605 155 HG3 LYS 21 1HG LYS 21 3.142 -1.190 4.554 156 HD2 LYS 21 2HD LYS 21 4.875 -2.313 5.886 157 HD3 LYS 21 1HD LYS 21 6.118 -1.494 4.943 158 HE2 LYS 21 2HE LYS 21 5.744 -0.353 7.073 159 HE3 LYS 21 1HE LYS 21 5.293 0.673 5.716 160 HZ1 LYS 21 3HZ LYS 21 2.977 0.092 6.105 161 HZ2 LYS 21 1HZ LYS 21 3.668 0.795 7.463 162 HZ3 LYS 21 2HZ LYS 21 3.409 -0.861 7.432 163 H CYS 22 H CYS 22 2.277 -0.191 2.177 164 HA CYS 22 HA CYS 22 3.094 0.921 -0.300 165 HB2 CYS 22 2HB CYS 22 1.068 1.559 1.034 166 HB3 CYS 22 1HB CYS 22 2.142 2.258 2.234 167 H GLY 23 H GLY 23 4.975 1.904 -0.726 168 HA2 GLY 23 2HA GLY 23 7.117 1.940 1.123 169 HA3 GLY 23 1HA GLY 23 7.093 2.727 -0.451 170 H SER 24 H SER 24 8.360 3.896 1.703 171 HA SER 24 HA SER 24 6.597 5.787 2.927 172 HB2 SER 24 2HB SER 24 8.857 6.495 3.918 173 HB3 SER 24 1HB SER 24 8.230 4.896 4.343 174 HG SER 24 HG SER 24 10.359 4.741 3.755 175 H ASN 25 H ASN 25 9.565 6.002 0.954 176 HA ASN 25 HA ASN 25 8.805 8.726 0.271 177 HB2 ASN 25 2HB ASN 25 10.992 9.045 -0.710 178 HB3 ASN 25 1HB ASN 25 11.206 8.252 0.838 179 HD21 ASN 25 1HD2 ASN 25 11.548 8.014 -2.578 180 HD22 ASN 25 2HD2 ASN 25 12.427 6.540 -2.612 181 H HIS 26 H HIS 26 8.976 5.597 -1.178 182 HA HIS 26 HA HIS 26 7.798 6.698 -3.623 183 HB2 HIS 26 2HB HIS 26 8.954 3.965 -3.040 184 HB3 HIS 26 1HB HIS 26 8.086 4.356 -4.510 185 HD1 HIS 26 1HD HIS 26 9.308 6.523 -5.819 186 HD2 HIS 26 2HD HIS 26 11.560 4.128 -3.306 187 HE1 HIS 26 1HE HIS 26 11.711 6.858 -6.511 188 H ASN 27 H ASN 27 5.687 6.907 -3.195 189 HA ASN 27 HA ASN 27 4.460 5.053 -1.390 190 HB2 ASN 27 2HB ASN 27 3.275 7.399 -2.842 191 HB3 ASN 27 1HB ASN 27 2.385 6.383 -1.721 192 HD21 ASN 27 1HD2 ASN 27 4.679 6.118 0.148 193 HD22 ASN 27 2HD2 ASN 27 4.841 7.654 0.880 194 H TRP 28 H TRP 28 4.851 3.254 -2.663 195 HA TRP 28 HA TRP 28 2.436 2.600 -4.044 196 HB2 TRP 28 2HB TRP 28 3.731 1.249 -5.772 197 HB3 TRP 28 1HB TRP 28 3.669 2.981 -6.004 198 HD1 TRP 28 HD TRP 28 6.209 1.309 -3.626 199 HE1 TRP 28 1HE TRP 28 8.569 1.654 -4.560 200 HE3 TRP 28 3HE TRP 28 4.994 3.430 -8.108 201 HZ2 TRP 28 2HZ TRP 28 9.755 2.650 -6.869 202 HZ3 TRP 28 3HZ TRP 28 6.817 4.057 -9.635 203 HH2 TRP 28 HH TRP 28 9.155 3.679 -9.030 204 H CYS 29 H CYS 29 1.958 0.483 -4.048 205 HA CYS 29 HA CYS 29 2.772 -0.867 -1.660 206 HB2 CYS 29 2HB CYS 29 0.976 -1.700 -3.912 207 HB3 CYS 29 1HB CYS 29 1.162 -2.617 -2.435 208 H LYS 30 H LYS 30 4.684 -1.818 -1.594 209 HA LYS 30 HA LYS 30 5.361 -3.704 -3.736 210 HB2 LYS 30 2HB LYS 30 7.286 -1.984 -2.153 211 HB3 LYS 30 1HB LYS 30 7.779 -3.291 -3.205 212 HG2 LYS 30 2HG LYS 30 6.403 -0.743 -4.020 213 HG3 LYS 30 1HG LYS 30 8.081 -1.172 -4.332 214 HD2 LYS 30 2HD LYS 30 7.226 -3.126 -5.676 215 HD3 LYS 30 1HD LYS 30 5.604 -2.475 -5.451 216 HE2 LYS 30 2HE LYS 30 6.442 -1.786 -7.604 217 HE3 LYS 30 1HE LYS 30 6.322 -0.379 -6.548 218 HZ1 LYS 30 3HZ LYS 30 8.381 -0.443 -7.836 219 HZ2 LYS 30 1HZ LYS 30 8.808 -1.884 -7.100 220 HZ3 LYS 30 2HZ LYS 30 8.701 -0.481 -6.181 221 H LEU 31 H LEU 31 7.257 -5.223 -2.681 222 HA LEU 31 HA LEU 31 5.760 -6.869 -0.962 223 HB2 LEU 31 2HB LEU 31 8.703 -6.945 -1.560 224 HB3 LEU 31 1HB LEU 31 7.804 -8.208 -0.755 225 HG LEU 31 HG LEU 31 7.430 -7.315 -3.608 226 HD11 LEU 31 1HD1 LEU 31 8.309 -9.519 -4.139 227 HD12 LEU 31 2HD1 LEU 31 8.600 -9.814 -2.422 228 HD13 LEU 31 3HD1 LEU 31 9.478 -8.534 -3.262 229 HD21 LEU 31 3HD2 LEU 31 5.935 -9.235 -3.787 230 HD22 LEU 31 1HD2 LEU 31 5.321 -8.048 -2.639 231 HD23 LEU 31 2HD2 LEU 31 6.091 -9.523 -2.053 232 H HIS 32 H HIS 32 5.803 -7.286 1.148 233 HA HIS 32 HA HIS 32 7.524 -5.603 2.810 234 HB2 HIS 32 2HB HIS 32 5.157 -4.965 2.985 235 HB3 HIS 32 1HB HIS 32 4.732 -6.625 3.375 236 HD1 HIS 32 1HD HIS 32 4.352 -6.938 5.843 237 HD2 HIS 32 2HD HIS 32 7.133 -3.959 5.037 238 HE1 HIS 32 1HE HIS 32 5.043 -6.019 8.061 239 H LEU 33 H LEU 33 9.058 -6.848 3.615 240 HA LEU 33 HA LEU 33 8.340 -9.549 4.494 241 HB2 LEU 33 2HB LEU 33 11.054 -8.607 3.504 242 HB3 LEU 33 1HB LEU 33 10.728 -10.186 4.169 243 HG LEU 33 HG LEU 33 9.123 -10.488 2.175 244 HD11 LEU 33 1HD1 LEU 33 9.664 -9.219 0.172 245 HD12 LEU 33 2HD1 LEU 33 10.722 -8.176 1.123 246 HD13 LEU 33 3HD1 LEU 33 8.987 -8.200 1.442 247 HD21 LEU 33 3HD2 LEU 33 12.095 -10.311 1.728 248 HD22 LEU 33 1HD2 LEU 33 10.954 -11.195 0.712 249 HD23 LEU 33 2HD2 LEU 33 11.206 -11.686 2.386 Start of MODEL 14 1 H1 ASP 1 1HT ASP 1 -11.288 -3.491 -1.273 2 H2 ASP 1 2HT ASP 1 -12.073 -4.367 -2.494 3 H3 ASP 1 3HT ASP 1 -10.907 -3.182 -2.873 4 HA ASP 1 HA ASP 1 -10.296 -5.603 -1.342 5 HB2 ASP 1 2HB ASP 1 -10.912 -6.074 -3.745 6 HB3 ASP 1 1HB ASP 1 -9.664 -4.938 -4.235 7 H CYS 2 H CYS 2 -7.783 -5.825 -1.572 8 HA CYS 2 HA CYS 2 -6.753 -3.394 -0.465 9 HB2 CYS 2 2HB CYS 2 -4.696 -4.779 -0.182 10 HB3 CYS 2 1HB CYS 2 -6.144 -5.444 0.571 11 H LEU 3 H LEU 3 -4.672 -2.527 -1.160 12 HA LEU 3 HA LEU 3 -4.624 -2.089 -3.996 13 HB2 LEU 3 2HB LEU 3 -2.639 -1.201 -1.897 14 HB3 LEU 3 1HB LEU 3 -2.769 -0.603 -3.531 15 HG LEU 3 HG LEU 3 -4.821 -0.272 -1.393 16 HD11 LEU 3 1HD1 LEU 3 -4.116 2.106 -1.434 17 HD12 LEU 3 2HD1 LEU 3 -2.847 1.680 -2.586 18 HD13 LEU 3 3HD1 LEU 3 -2.802 1.029 -0.946 19 HD21 LEU 3 3HD2 LEU 3 -5.869 1.310 -2.980 20 HD22 LEU 3 1HD2 LEU 3 -5.804 -0.340 -3.613 21 HD23 LEU 3 2HD2 LEU 3 -4.649 0.864 -4.175 22 H LYS 4 H LYS 4 -3.283 -3.012 -5.359 23 HA LYS 4 HA LYS 4 -1.931 -5.389 -4.379 24 HB2 LYS 4 2HB LYS 4 -2.514 -4.510 -7.198 25 HB3 LYS 4 1HB LYS 4 -1.815 -6.053 -6.729 26 HG2 LYS 4 2HG LYS 4 -3.868 -6.611 -5.516 27 HG3 LYS 4 1HG LYS 4 -4.557 -5.058 -5.983 28 HD2 LYS 4 2HD LYS 4 -5.393 -6.791 -7.446 29 HD3 LYS 4 1HD LYS 4 -4.341 -5.702 -8.353 30 HE2 LYS 4 2HE LYS 4 -3.907 -8.010 -8.963 31 HE3 LYS 4 1HE LYS 4 -2.507 -7.335 -8.148 32 HZ1 LYS 4 3HZ LYS 4 -4.556 -9.106 -6.939 33 HZ2 LYS 4 1HZ LYS 4 -3.237 -8.456 -6.103 34 HZ3 LYS 4 2HZ LYS 4 -2.972 -9.545 -7.353 35 H PHE 5 H PHE 5 0.007 -5.937 -6.010 36 HA PHE 5 HA PHE 5 2.081 -4.286 -5.074 37 HB2 PHE 5 2HB PHE 5 2.376 -6.688 -5.371 38 HB3 PHE 5 1HB PHE 5 2.109 -6.525 -7.100 39 HD1 PHE 5 2HD PHE 5 4.272 -4.920 -4.530 40 HD2 PHE 5 1HD PHE 5 3.986 -6.712 -8.366 41 HE1 PHE 5 2HE PHE 5 6.676 -4.585 -4.864 42 HE2 PHE 5 1HE PHE 5 6.390 -6.378 -8.706 43 HZ PHE 5 HZ PHE 5 7.733 -5.313 -6.955 44 H GLY 6 H GLY 6 2.660 -2.436 -5.816 45 HA2 GLY 6 2HA GLY 6 3.576 -1.044 -7.493 46 HA3 GLY 6 1HA GLY 6 2.692 -1.964 -8.704 47 H TRP 7 H TRP 7 0.610 -1.400 -6.152 48 HA TRP 7 HA TRP 7 -0.681 0.661 -7.720 49 HB2 TRP 7 2HB TRP 7 -1.582 -0.930 -5.331 50 HB3 TRP 7 1HB TRP 7 -2.510 0.425 -5.967 51 HD1 TRP 7 HD TRP 7 -0.777 -2.068 -8.302 52 HE1 TRP 7 1HE TRP 7 -2.587 -3.394 -9.568 53 HE3 TRP 7 3HE TRP 7 -4.900 -0.348 -5.852 54 HZ2 TRP 7 2HZ TRP 7 -5.384 -3.663 -9.530 55 HZ3 TRP 7 3HZ TRP 7 -7.107 -1.189 -6.524 56 HH2 TRP 7 HH TRP 7 -7.338 -2.811 -8.324 57 H LYS 8 H LYS 8 -1.084 2.689 -7.057 58 HA LYS 8 HA LYS 8 0.870 3.927 -5.433 59 HB2 LYS 8 2HB LYS 8 -0.381 4.921 -7.345 60 HB3 LYS 8 1HB LYS 8 -1.794 5.034 -6.299 61 HG2 LYS 8 2HG LYS 8 -0.809 7.186 -6.350 62 HG3 LYS 8 1HG LYS 8 -0.378 6.486 -4.789 63 HD2 LYS 8 2HD LYS 8 1.825 5.896 -5.651 64 HD3 LYS 8 1HD LYS 8 1.389 6.533 -7.237 65 HE2 LYS 8 2HE LYS 8 1.581 8.108 -4.672 66 HE3 LYS 8 1HE LYS 8 2.750 8.124 -5.978 67 HZ1 LYS 8 3HZ LYS 8 1.296 10.038 -6.071 68 HZ2 LYS 8 1HZ LYS 8 -0.067 9.070 -6.184 69 HZ3 LYS 8 2HZ LYS 8 1.065 9.086 -7.430 70 H CYS 9 H CYS 9 0.847 4.330 -3.323 71 HA CYS 9 HA CYS 9 -1.472 3.400 -1.785 72 HB2 CYS 9 2HB CYS 9 -0.036 3.128 0.063 73 HB3 CYS 9 1HB CYS 9 0.939 2.635 -1.322 74 H ASN 10 H ASN 10 -1.806 4.815 0.298 75 HA ASN 10 HA ASN 10 -1.443 7.631 -0.384 76 HB2 ASN 10 2HB ASN 10 -3.557 6.308 1.361 77 HB3 ASN 10 1HB ASN 10 -3.374 8.046 1.169 78 HD21 ASN 10 1HD2 ASN 10 -5.636 6.335 0.560 79 HD22 ASN 10 2HD2 ASN 10 -5.967 6.542 -1.108 80 HA PRO 11 HA PRO 11 1.655 7.470 2.753 81 HB2 PRO 11 2HB PRO 11 1.239 10.070 3.763 82 HB3 PRO 11 1HB PRO 11 2.375 9.604 2.498 83 HG2 PRO 11 2HG PRO 11 -0.341 10.789 2.264 84 HG3 PRO 11 1HG PRO 11 1.070 10.990 1.215 85 HD2 PRO 11 2HD PRO 11 -1.026 9.479 0.499 86 HD3 PRO 11 1HD PRO 11 0.631 9.037 0.043 87 H ARG 12 H ARG 12 -1.462 8.838 3.668 88 HA ARG 12 HA ARG 12 -1.054 8.150 6.470 89 HB2 ARG 12 2HB ARG 12 -3.303 9.501 5.030 90 HB3 ARG 12 1HB ARG 12 -3.276 9.171 6.747 91 HG2 ARG 12 2HG ARG 12 -1.224 10.850 5.287 92 HG3 ARG 12 1HG ARG 12 -2.617 11.518 6.140 93 HD2 ARG 12 2HD ARG 12 -1.813 10.710 8.228 94 HD3 ARG 12 1HD ARG 12 -0.536 9.777 7.458 95 HE ARG 12 HE ARG 12 0.168 12.133 6.659 96 HH11 ARG 12 1HH1 ARG 12 -1.177 11.418 9.871 97 HH12 ARG 12 2HH1 ARG 12 -0.124 12.485 10.677 98 HH21 ARG 12 1HH2 ARG 12 1.578 13.580 7.791 99 HH22 ARG 12 2HH2 ARG 12 1.452 13.744 9.499 100 H ASN 13 H ASN 13 -2.589 6.869 3.748 101 HA ASN 13 HA ASN 13 -3.922 4.866 5.447 102 HB2 ASN 13 2HB ASN 13 -5.649 6.385 4.600 103 HB3 ASN 13 1HB ASN 13 -5.121 6.095 2.952 104 HD21 ASN 13 1HD2 ASN 13 -7.198 5.368 2.381 105 HD22 ASN 13 2HD2 ASN 13 -7.777 3.829 2.845 106 H ASP 14 H ASP 14 -2.431 3.315 5.185 107 HA ASP 14 HA ASP 14 -1.644 2.414 2.530 108 HB2 ASP 14 2HB ASP 14 0.003 2.409 4.444 109 HB3 ASP 14 1HB ASP 14 -1.007 1.204 5.234 110 H LYS 15 H LYS 15 -3.057 1.226 1.512 111 HA LYS 15 HA LYS 15 -4.641 -0.712 3.036 112 HB2 LYS 15 2HB LYS 15 -5.310 0.872 0.591 113 HB3 LYS 15 1HB LYS 15 -6.153 -0.624 0.959 114 HG2 LYS 15 2HG LYS 15 -6.015 1.825 2.695 115 HG3 LYS 15 1HG LYS 15 -7.404 1.255 1.762 116 HD2 LYS 15 2HD LYS 15 -7.346 -0.863 3.093 117 HD3 LYS 15 1HD LYS 15 -6.097 -0.138 4.100 118 HE2 LYS 15 2HE LYS 15 -8.158 0.093 5.171 119 HE3 LYS 15 1HE LYS 15 -7.591 1.673 4.617 120 HZ1 LYS 15 3HZ LYS 15 -9.986 1.354 4.182 121 HZ2 LYS 15 1HZ LYS 15 -9.642 0.001 3.261 122 HZ3 LYS 15 2HZ LYS 15 -9.154 1.514 2.720 123 H CYS 16 H CYS 16 -1.931 -1.085 1.949 124 HA CYS 16 HA CYS 16 -2.225 -2.517 -0.473 125 HB2 CYS 16 2HB CYS 16 0.054 -2.646 1.506 126 HB3 CYS 16 1HB CYS 16 0.109 -3.129 -0.178 127 H CYS 17 H CYS 17 -1.846 -4.811 -0.713 128 HA CYS 17 HA CYS 17 -3.493 -6.393 0.917 129 HB2 CYS 17 2HB CYS 17 -1.435 -7.264 -1.103 130 HB3 CYS 17 1HB CYS 17 -2.743 -8.259 -0.473 131 H SER 18 H SER 18 -2.676 -8.669 1.688 132 HA SER 18 HA SER 18 -1.017 -8.317 3.903 133 HB2 SER 18 2HB SER 18 -1.862 -10.854 2.503 134 HB3 SER 18 1HB SER 18 -1.349 -10.699 4.188 135 HG SER 18 HG SER 18 -3.129 -9.154 4.367 136 H GLY 19 H GLY 19 1.146 -8.443 4.087 137 HA2 GLY 19 2HA GLY 19 3.343 -9.011 3.642 138 HA3 GLY 19 1HA GLY 19 2.777 -10.050 2.335 139 H LEU 20 H LEU 20 1.607 -6.869 2.396 140 HA LEU 20 HA LEU 20 3.517 -5.947 0.399 141 HB2 LEU 20 2HB LEU 20 1.230 -7.004 -0.356 142 HB3 LEU 20 1HB LEU 20 0.578 -5.482 0.206 143 HG LEU 20 HG LEU 20 2.206 -4.365 -1.352 144 HD11 LEU 20 1HD1 LEU 20 3.653 -6.249 -1.607 145 HD12 LEU 20 2HD1 LEU 20 3.004 -5.796 -3.196 146 HD13 LEU 20 3HD1 LEU 20 2.361 -7.200 -2.318 147 HD21 LEU 20 3HD2 LEU 20 0.099 -6.176 -2.499 148 HD22 LEU 20 1HD2 LEU 20 0.786 -4.759 -3.284 149 HD23 LEU 20 2HD2 LEU 20 -0.178 -4.572 -1.817 150 H LYS 21 H LYS 21 3.915 -3.764 0.735 151 HA LYS 21 HA LYS 21 2.147 -2.197 2.439 152 HB2 LYS 21 2HB LYS 21 3.687 -3.384 4.026 153 HB3 LYS 21 1HB LYS 21 5.045 -2.652 3.181 154 HG2 LYS 21 2HG LYS 21 4.202 -0.423 3.848 155 HG3 LYS 21 1HG LYS 21 2.931 -1.215 4.779 156 HD2 LYS 21 2HD LYS 21 4.621 -2.332 6.148 157 HD3 LYS 21 1HD LYS 21 5.901 -1.577 5.202 158 HE2 LYS 21 2HE LYS 21 5.031 0.647 5.907 159 HE3 LYS 21 1HE LYS 21 3.873 -0.183 6.946 160 HZ1 LYS 21 3HZ LYS 21 6.829 -0.324 7.157 161 HZ2 LYS 21 1HZ LYS 21 5.767 -1.165 8.151 162 HZ3 LYS 21 2HZ LYS 21 5.823 0.513 8.195 163 H CYS 22 H CYS 22 2.563 0.045 2.175 164 HA CYS 22 HA CYS 22 3.717 0.725 -0.304 165 HB2 CYS 22 2HB CYS 22 1.924 2.052 0.833 166 HB3 CYS 22 1HB CYS 22 3.121 2.573 2.017 167 H GLY 23 H GLY 23 5.687 1.368 -0.817 168 HA2 GLY 23 2HA GLY 23 7.786 0.682 1.026 169 HA3 GLY 23 1HA GLY 23 7.979 1.208 -0.638 170 H SER 24 H SER 24 9.803 2.127 0.945 171 HA SER 24 HA SER 24 8.955 4.726 1.850 172 HB2 SER 24 2HB SER 24 11.397 4.752 2.672 173 HB3 SER 24 1HB SER 24 10.264 3.657 3.471 174 HG SER 24 HG SER 24 11.869 2.369 3.061 175 H ASN 25 H ASN 25 10.910 3.182 -0.634 176 HA ASN 25 HA ASN 25 11.809 5.773 -1.550 177 HB2 ASN 25 2HB ASN 25 13.181 4.637 -3.197 178 HB3 ASN 25 1HB ASN 25 13.398 3.846 -1.647 179 HD21 ASN 25 1HD2 ASN 25 13.970 2.840 -4.253 180 HD22 ASN 25 2HD2 ASN 25 13.028 1.423 -4.498 181 H HIS 26 H HIS 26 9.270 3.637 -2.168 182 HA HIS 26 HA HIS 26 8.420 5.308 -4.422 183 HB2 HIS 26 2HB HIS 26 8.073 2.318 -4.134 184 HB3 HIS 26 1HB HIS 26 7.147 3.261 -5.275 185 HD1 HIS 26 1HD HIS 26 8.573 4.327 -7.319 186 HD2 HIS 26 2HD HIS 26 10.517 1.615 -4.876 187 HE1 HIS 26 1HE HIS 26 10.614 3.612 -8.579 188 H ASN 27 H ASN 27 6.275 5.813 -4.468 189 HA ASN 27 HA ASN 27 4.945 5.574 -1.875 190 HB2 ASN 27 2HB ASN 27 5.225 7.802 -3.098 191 HB3 ASN 27 1HB ASN 27 4.061 7.205 -4.273 192 HD21 ASN 27 1HD2 ASN 27 3.906 6.654 -0.785 193 HD22 ASN 27 2HD2 ASN 27 2.476 7.571 -0.546 194 H TRP 28 H TRP 28 5.119 3.257 -3.403 195 HA TRP 28 HA TRP 28 2.298 2.802 -3.811 196 HB2 TRP 28 2HB TRP 28 2.624 1.391 -5.785 197 HB3 TRP 28 1HB TRP 28 3.275 2.974 -6.063 198 HD1 TRP 28 HD TRP 28 5.101 -0.085 -4.478 199 HE1 TRP 28 1HE TRP 28 7.146 -0.622 -5.929 200 HE3 TRP 28 3HE TRP 28 4.366 3.325 -8.140 201 HZ2 TRP 28 2HZ TRP 28 8.293 0.263 -8.269 202 HZ3 TRP 28 3HZ TRP 28 5.998 3.424 -10.014 203 HH2 TRP 28 HH TRP 28 7.916 1.919 -10.078 204 H CYS 29 H CYS 29 1.829 0.524 -3.855 205 HA CYS 29 HA CYS 29 2.728 -0.755 -1.486 206 HB2 CYS 29 2HB CYS 29 1.003 -1.606 -3.771 207 HB3 CYS 29 1HB CYS 29 1.181 -2.588 -2.341 208 H LYS 30 H LYS 30 4.635 -1.743 -1.345 209 HA LYS 30 HA LYS 30 5.715 -3.187 -3.671 210 HB2 LYS 30 2HB LYS 30 7.157 -2.196 -1.206 211 HB3 LYS 30 1HB LYS 30 7.882 -2.982 -2.595 212 HG2 LYS 30 2HG LYS 30 7.282 -1.050 -3.982 213 HG3 LYS 30 1HG LYS 30 6.563 -0.273 -2.570 214 HD2 LYS 30 2HD LYS 30 8.776 0.626 -2.855 215 HD3 LYS 30 1HD LYS 30 8.786 -0.435 -1.447 216 HE2 LYS 30 2HE LYS 30 9.707 -2.244 -2.874 217 HE3 LYS 30 1HE LYS 30 9.781 -1.082 -4.203 218 HZ1 LYS 30 3HZ LYS 30 11.240 -0.890 -1.621 219 HZ2 LYS 30 1HZ LYS 30 11.297 0.268 -2.846 220 HZ3 LYS 30 2HZ LYS 30 11.908 -1.272 -3.110 221 H LEU 31 H LEU 31 7.018 -5.156 -2.961 222 HA LEU 31 HA LEU 31 5.445 -6.847 -1.271 223 HB2 LEU 31 2HB LEU 31 8.242 -7.230 -2.347 224 HB3 LEU 31 1HB LEU 31 7.262 -8.460 -1.587 225 HG LEU 31 HG LEU 31 6.633 -7.131 -4.220 226 HD11 LEU 31 1HD1 LEU 31 8.610 -8.549 -4.329 227 HD12 LEU 31 2HD1 LEU 31 7.250 -9.285 -5.177 228 HD13 LEU 31 3HD1 LEU 31 7.711 -9.867 -3.578 229 HD21 LEU 31 3HD2 LEU 31 4.628 -7.873 -3.030 230 HD22 LEU 31 1HD2 LEU 31 5.347 -9.468 -2.806 231 HD23 LEU 31 2HD2 LEU 31 4.951 -8.899 -4.428 232 H HIS 32 H HIS 32 5.591 -7.033 0.864 233 HA HIS 32 HA HIS 32 7.696 -5.519 2.147 234 HB2 HIS 32 2HB HIS 32 5.344 -5.365 2.980 235 HB3 HIS 32 1HB HIS 32 5.450 -7.067 3.439 236 HD1 HIS 32 1HD HIS 32 6.700 -7.607 5.645 237 HD2 HIS 32 2HD HIS 32 6.868 -3.608 4.560 238 HE1 HIS 32 1HE HIS 32 7.670 -6.392 7.620 239 H LEU 33 H LEU 33 9.377 -6.724 1.573 240 HA LEU 33 HA LEU 33 9.587 -9.383 2.802 241 HB2 LEU 33 2HB LEU 33 11.249 -8.272 0.526 242 HB3 LEU 33 1HB LEU 33 11.276 -9.904 1.151 243 HG LEU 33 HG LEU 33 8.987 -8.633 -0.345 244 HD11 LEU 33 1HD1 LEU 33 10.881 -9.082 -1.782 245 HD12 LEU 33 2HD1 LEU 33 9.557 -10.193 -2.127 246 HD13 LEU 33 3HD1 LEU 33 10.950 -10.746 -1.200 247 HD21 LEU 33 3HD2 LEU 33 9.319 -11.451 0.691 248 HD22 LEU 33 1HD2 LEU 33 8.030 -10.900 -0.384 249 HD23 LEU 33 2HD2 LEU 33 8.152 -10.244 1.242 Start of MODEL 15 1 H1 ASP 1 1HT ASP 1 -12.085 -4.153 -2.140 2 H2 ASP 1 2HT ASP 1 -10.903 -3.147 -2.847 3 H3 ASP 1 3HT ASP 1 -11.079 -3.178 -1.194 4 HA ASP 1 HA ASP 1 -10.265 -5.362 -1.020 5 HB2 ASP 1 2HB ASP 1 -9.424 -6.587 -2.948 6 HB3 ASP 1 1HB ASP 1 -11.107 -6.186 -3.250 7 H CYS 2 H CYS 2 -7.967 -5.734 -0.964 8 HA CYS 2 HA CYS 2 -6.623 -3.340 -0.446 9 HB2 CYS 2 2HB CYS 2 -4.707 -4.870 -0.045 10 HB3 CYS 2 1HB CYS 2 -6.186 -5.258 0.833 11 H LEU 3 H LEU 3 -4.773 -2.477 -1.357 12 HA LEU 3 HA LEU 3 -4.712 -2.356 -4.205 13 HB2 LEU 3 2HB LEU 3 -2.675 -1.358 -2.206 14 HB3 LEU 3 1HB LEU 3 -2.820 -0.872 -3.876 15 HG LEU 3 HG LEU 3 -4.920 -0.356 -1.787 16 HD11 LEU 3 1HD1 LEU 3 -2.881 0.837 -1.256 17 HD12 LEU 3 2HD1 LEU 3 -4.109 1.959 -1.852 18 HD13 LEU 3 3HD1 LEU 3 -2.788 1.453 -2.906 19 HD21 LEU 3 3HD2 LEU 3 -4.536 0.765 -4.555 20 HD22 LEU 3 1HD2 LEU 3 -5.823 1.195 -3.434 21 HD23 LEU 3 2HD2 LEU 3 -5.747 -0.439 -4.106 22 H LYS 4 H LYS 4 -3.148 -3.136 -5.563 23 HA LYS 4 HA LYS 4 -1.867 -5.587 -4.633 24 HB2 LYS 4 2HB LYS 4 -2.288 -4.555 -7.426 25 HB3 LYS 4 1HB LYS 4 -1.727 -6.161 -7.000 26 HG2 LYS 4 2HG LYS 4 -3.870 -6.659 -5.975 27 HG3 LYS 4 1HG LYS 4 -4.426 -5.016 -6.316 28 HD2 LYS 4 2HD LYS 4 -4.014 -5.462 -8.723 29 HD3 LYS 4 1HD LYS 4 -3.681 -7.143 -8.303 30 HE2 LYS 4 2HE LYS 4 -5.930 -7.363 -7.396 31 HE3 LYS 4 1HE LYS 4 -6.251 -5.670 -7.768 32 HZ1 LYS 4 3HZ LYS 4 -7.181 -6.981 -9.492 33 HZ2 LYS 4 1HZ LYS 4 -5.755 -7.853 -9.724 34 HZ3 LYS 4 2HZ LYS 4 -5.827 -6.235 -10.133 35 H PHE 5 H PHE 5 0.156 -6.065 -6.113 36 HA PHE 5 HA PHE 5 2.213 -4.378 -5.207 37 HB2 PHE 5 2HB PHE 5 2.515 -6.797 -5.575 38 HB3 PHE 5 1HB PHE 5 2.323 -6.560 -7.305 39 HD1 PHE 5 1HD PHE 5 4.464 -5.910 -4.420 40 HD2 PHE 5 2HD PHE 5 4.148 -5.787 -8.648 41 HE1 PHE 5 1HE PHE 5 6.897 -5.525 -4.588 42 HE2 PHE 5 2HE PHE 5 6.573 -5.409 -8.830 43 HZ PHE 5 HZ PHE 5 7.950 -5.282 -6.789 44 H GLY 6 H GLY 6 2.727 -2.508 -5.949 45 HA2 GLY 6 2HA GLY 6 3.631 -1.083 -7.579 46 HA3 GLY 6 1HA GLY 6 2.950 -2.109 -8.835 47 H TRP 7 H TRP 7 0.862 -1.358 -6.259 48 HA TRP 7 HA TRP 7 -0.513 0.529 -7.964 49 HB2 TRP 7 2HB TRP 7 -1.387 -1.108 -5.603 50 HB3 TRP 7 1HB TRP 7 -2.346 0.254 -6.176 51 HD1 TRP 7 HD TRP 7 -0.559 -2.218 -8.509 52 HE1 TRP 7 1HE TRP 7 -2.340 -3.448 -9.897 53 HE3 TRP 7 3HE TRP 7 -4.706 -0.389 -6.237 54 HZ2 TRP 7 2HZ TRP 7 -5.160 -3.608 -10.002 55 HZ3 TRP 7 3HZ TRP 7 -6.892 -1.111 -6.999 56 HH2 TRP 7 HH TRP 7 -7.133 -2.694 -8.864 57 H LYS 8 H LYS 8 -1.141 2.512 -7.165 58 HA LYS 8 HA LYS 8 0.837 3.735 -5.515 59 HB2 LYS 8 2HB LYS 8 -0.318 4.645 -7.570 60 HB3 LYS 8 1HB LYS 8 -1.726 4.918 -6.552 61 HG2 LYS 8 2HG LYS 8 -0.515 6.957 -6.799 62 HG3 LYS 8 1HG LYS 8 -0.302 6.390 -5.138 63 HD2 LYS 8 2HD LYS 8 1.884 5.548 -5.643 64 HD3 LYS 8 1HD LYS 8 1.670 5.873 -7.362 65 HE2 LYS 8 2HE LYS 8 1.734 7.938 -5.171 66 HE3 LYS 8 1HE LYS 8 3.078 7.547 -6.240 67 HZ1 LYS 8 3HZ LYS 8 0.452 8.638 -7.098 68 HZ2 LYS 8 1HZ LYS 8 1.747 8.279 -8.121 69 HZ3 LYS 8 2HZ LYS 8 1.884 9.499 -6.975 70 H CYS 9 H CYS 9 0.591 4.292 -3.421 71 HA CYS 9 HA CYS 9 -1.936 3.499 -2.159 72 HB2 CYS 9 2HB CYS 9 -0.599 3.128 -0.085 73 HB3 CYS 9 1HB CYS 9 -0.136 2.067 -1.409 74 H ASN 10 H ASN 10 -2.412 4.674 -0.151 75 HA ASN 10 HA ASN 10 -2.088 7.492 -0.545 76 HB2 ASN 10 2HB ASN 10 -3.463 5.951 1.681 77 HB3 ASN 10 1HB ASN 10 -3.469 7.706 1.538 78 HD21 ASN 10 1HD2 ASN 10 -5.709 5.827 1.499 79 HD22 ASN 10 2HD2 ASN 10 -6.497 6.073 -0.008 80 HA PRO 11 HA PRO 11 1.862 7.574 1.264 81 HB2 PRO 11 2HB PRO 11 1.431 10.166 2.405 82 HB3 PRO 11 1HB PRO 11 2.361 9.711 0.976 83 HG2 PRO 11 2HG PRO 11 -0.320 10.835 1.159 84 HG3 PRO 11 1HG PRO 11 0.772 10.748 -0.226 85 HD2 PRO 11 2HD PRO 11 -1.512 9.286 0.050 86 HD3 PRO 11 1HD PRO 11 -0.139 8.796 -0.957 87 H ARG 12 H ARG 12 -0.794 8.657 3.324 88 HA ARG 12 HA ARG 12 0.780 7.995 5.694 89 HB2 ARG 12 2HB ARG 12 -1.850 9.356 5.338 90 HB3 ARG 12 1HB ARG 12 -1.175 8.940 6.902 91 HG2 ARG 12 2HG ARG 12 0.092 10.729 4.840 92 HG3 ARG 12 1HG ARG 12 -0.772 11.297 6.272 93 HD2 ARG 12 2HD ARG 12 0.874 10.165 7.699 94 HD3 ARG 12 1HD ARG 12 1.724 9.598 6.264 95 HE ARG 12 HE ARG 12 1.462 12.388 6.233 96 HH11 ARG 12 1HH1 ARG 12 3.282 9.798 7.837 97 HH12 ARG 12 2HH1 ARG 12 4.663 10.759 8.111 98 HH21 ARG 12 1HH2 ARG 12 3.378 13.695 6.608 99 HH22 ARG 12 2HH2 ARG 12 4.731 12.997 7.373 100 H ASN 13 H ASN 13 -1.839 6.705 3.892 101 HA ASN 13 HA ASN 13 -2.259 4.766 6.050 102 HB2 ASN 13 2HB ASN 13 -4.144 6.261 6.108 103 HB3 ASN 13 1HB ASN 13 -4.405 6.056 4.380 104 HD21 ASN 13 1HD2 ASN 13 -4.622 4.513 7.492 105 HD22 ASN 13 2HD2 ASN 13 -5.741 3.284 7.028 106 H ASP 14 H ASP 14 -1.573 2.954 5.473 107 HA ASP 14 HA ASP 14 -1.216 1.987 2.801 108 HB2 ASP 14 2HB ASP 14 0.250 1.326 4.684 109 HB3 ASP 14 1HB ASP 14 -1.112 0.529 5.452 110 H LYS 15 H LYS 15 -2.672 0.943 1.579 111 HA LYS 15 HA LYS 15 -4.800 -0.602 2.893 112 HB2 LYS 15 2HB LYS 15 -5.044 1.076 0.379 113 HB3 LYS 15 1HB LYS 15 -6.274 -0.040 0.932 114 HG2 LYS 15 2HG LYS 15 -5.353 2.448 2.381 115 HG3 LYS 15 1HG LYS 15 -6.843 2.286 1.461 116 HD2 LYS 15 2HD LYS 15 -6.124 0.755 3.976 117 HD3 LYS 15 1HD LYS 15 -7.231 2.116 3.883 118 HE2 LYS 15 2HE LYS 15 -7.580 -0.559 2.546 119 HE3 LYS 15 1HE LYS 15 -8.425 -0.021 3.992 120 HZ1 LYS 15 3HZ LYS 15 -8.655 1.192 1.290 121 HZ2 LYS 15 1HZ LYS 15 -9.475 1.730 2.659 122 HZ3 LYS 15 2HZ LYS 15 -9.801 0.219 1.995 123 H CYS 16 H CYS 16 -2.130 -1.275 1.909 124 HA CYS 16 HA CYS 16 -2.474 -2.602 -0.623 125 HB2 CYS 16 2HB CYS 16 -0.149 -2.803 1.312 126 HB3 CYS 16 1HB CYS 16 -0.129 -3.166 -0.407 127 H CYS 17 H CYS 17 -2.088 -4.944 -0.849 128 HA CYS 17 HA CYS 17 -3.645 -6.506 0.886 129 HB2 CYS 17 2HB CYS 17 -1.734 -7.321 -1.295 130 HB3 CYS 17 1HB CYS 17 -2.828 -8.429 -0.472 131 H SER 18 H SER 18 -2.971 -8.611 1.870 132 HA SER 18 HA SER 18 -1.152 -8.190 3.946 133 HB2 SER 18 2HB SER 18 -2.338 -10.766 2.910 134 HB3 SER 18 1HB SER 18 -1.676 -10.502 4.525 135 HG SER 18 HG SER 18 -3.974 -10.340 4.388 136 H GLY 19 H GLY 19 0.986 -8.189 3.820 137 HA2 GLY 19 2HA GLY 19 3.050 -9.358 3.466 138 HA3 GLY 19 1HA GLY 19 2.325 -10.134 2.058 139 H LEU 20 H LEU 20 1.239 -7.140 1.867 140 HA LEU 20 HA LEU 20 3.477 -6.176 0.270 141 HB2 LEU 20 2HB LEU 20 1.241 -6.939 -0.752 142 HB3 LEU 20 1HB LEU 20 0.566 -5.520 0.013 143 HG LEU 20 HG LEU 20 2.143 -4.132 -1.289 144 HD11 LEU 20 1HD1 LEU 20 3.832 -5.833 -1.637 145 HD12 LEU 20 2HD1 LEU 20 3.248 -5.164 -3.165 146 HD13 LEU 20 3HD1 LEU 20 2.703 -6.765 -2.623 147 HD21 LEU 20 3HD2 LEU 20 0.385 -5.986 -2.842 148 HD22 LEU 20 1HD2 LEU 20 1.003 -4.437 -3.388 149 HD23 LEU 20 2HD2 LEU 20 -0.135 -4.502 -2.033 150 H LYS 21 H LYS 21 3.760 -3.801 0.471 151 HA LYS 21 HA LYS 21 2.290 -2.573 2.659 152 HB2 LYS 21 2HB LYS 21 4.344 -3.833 3.527 153 HB3 LYS 21 1HB LYS 21 5.277 -2.601 2.682 154 HG2 LYS 21 2HG LYS 21 5.131 -1.978 4.979 155 HG3 LYS 21 1HG LYS 21 4.117 -0.878 4.040 156 HD2 LYS 21 2HD LYS 21 2.133 -2.183 4.644 157 HD3 LYS 21 1HD LYS 21 3.146 -3.293 5.568 158 HE2 LYS 21 2HE LYS 21 3.820 -1.412 6.995 159 HE3 LYS 21 1HE LYS 21 2.723 -0.365 6.096 160 HZ1 LYS 21 3HZ LYS 21 1.703 -1.149 8.128 161 HZ2 LYS 21 1HZ LYS 21 1.964 -2.757 7.673 162 HZ3 LYS 21 2HZ LYS 21 0.887 -1.799 6.799 163 H CYS 22 H CYS 22 2.168 -0.480 2.453 164 HA CYS 22 HA CYS 22 3.099 0.919 0.135 165 HB2 CYS 22 2HB CYS 22 0.944 1.460 1.196 166 HB3 CYS 22 1HB CYS 22 1.754 1.825 2.708 167 H GLY 23 H GLY 23 5.071 1.787 -0.050 168 HA2 GLY 23 2HA GLY 23 6.973 1.509 2.041 169 HA3 GLY 23 1HA GLY 23 7.252 2.256 0.476 170 H SER 24 H SER 24 8.478 3.310 2.590 171 HA SER 24 HA SER 24 6.892 5.585 3.429 172 HB2 SER 24 2HB SER 24 9.004 6.033 4.807 173 HB3 SER 24 1HB SER 24 8.041 4.626 5.258 174 HG SER 24 HG SER 24 9.543 3.313 4.479 175 H ASN 25 H ASN 25 9.845 4.801 1.691 176 HA ASN 25 HA ASN 25 10.097 7.569 0.780 177 HB2 ASN 25 2HB ASN 25 11.944 5.190 0.566 178 HB3 ASN 25 1HB ASN 25 12.217 6.668 -0.345 179 HD21 ASN 25 1HD2 ASN 25 12.878 8.484 0.718 180 HD22 ASN 25 2HD2 ASN 25 13.459 8.484 2.342 181 H HIS 26 H HIS 26 8.346 5.083 -0.054 182 HA HIS 26 HA HIS 26 8.290 5.838 -2.875 183 HB2 HIS 26 2HB HIS 26 8.177 3.009 -1.775 184 HB3 HIS 26 1HB HIS 26 7.787 3.421 -3.432 185 HD1 HIS 26 1HD HIS 26 9.856 4.266 -4.925 186 HD2 HIS 26 2HD HIS 26 10.764 2.668 -1.223 187 HE1 HIS 26 1HE HIS 26 12.319 3.732 -4.998 188 H ASN 27 H ASN 27 6.210 6.278 -3.516 189 HA ASN 27 HA ASN 27 4.216 5.975 -1.425 190 HB2 ASN 27 2HB ASN 27 4.594 8.235 -2.453 191 HB3 ASN 27 1HB ASN 27 4.001 7.598 -3.982 192 HD21 ASN 27 1HD2 ASN 27 2.650 6.744 -0.856 193 HD22 ASN 27 2HD2 ASN 27 1.115 7.473 -1.133 194 H TRP 28 H TRP 28 4.943 3.664 -2.840 195 HA TRP 28 HA TRP 28 2.323 2.994 -3.822 196 HB2 TRP 28 2HB TRP 28 3.363 1.595 -5.685 197 HB3 TRP 28 1HB TRP 28 3.350 3.334 -5.906 198 HD1 TRP 28 HD TRP 28 6.027 1.496 -3.841 199 HE1 TRP 28 1HE TRP 28 8.299 1.798 -5.016 200 HE3 TRP 28 3HE TRP 28 4.459 3.877 -8.058 201 HZ2 TRP 28 2HZ TRP 28 9.278 2.850 -7.359 202 HZ3 TRP 28 3HZ TRP 28 6.146 4.516 -9.745 203 HH2 TRP 28 HH TRP 28 8.513 4.018 -9.405 204 H CYS 29 H CYS 29 1.918 0.724 -3.954 205 HA CYS 29 HA CYS 29 2.747 -0.607 -1.562 206 HB2 CYS 29 2HB CYS 29 0.984 -1.414 -3.848 207 HB3 CYS 29 1HB CYS 29 1.215 -2.414 -2.439 208 H LYS 30 H LYS 30 4.689 -1.503 -1.539 209 HA LYS 30 HA LYS 30 5.330 -3.403 -3.667 210 HB2 LYS 30 2HB LYS 30 7.295 -1.622 -2.185 211 HB3 LYS 30 1HB LYS 30 7.772 -2.961 -3.214 212 HG2 LYS 30 2HG LYS 30 6.280 -0.495 -4.081 213 HG3 LYS 30 1HG LYS 30 7.981 -0.826 -4.399 214 HD2 LYS 30 2HD LYS 30 7.322 -2.793 -5.741 215 HD3 LYS 30 1HD LYS 30 5.628 -2.443 -5.407 216 HE2 LYS 30 2HE LYS 30 6.147 -1.611 -7.591 217 HE3 LYS 30 1HE LYS 30 5.928 -0.237 -6.510 218 HZ1 LYS 30 3HZ LYS 30 8.489 -1.334 -7.492 219 HZ2 LYS 30 1HZ LYS 30 8.378 -0.111 -6.331 220 HZ3 LYS 30 2HZ LYS 30 7.790 0.134 -7.881 221 H LEU 31 H LEU 31 7.330 -4.828 -2.529 222 HA LEU 31 HA LEU 31 5.775 -6.469 -0.864 223 HB2 LEU 31 2HB LEU 31 8.707 -6.512 -1.458 224 HB3 LEU 31 1HB LEU 31 7.891 -7.737 -0.513 225 HG LEU 31 HG LEU 31 7.251 -7.075 -3.384 226 HD11 LEU 31 1HD1 LEU 31 8.780 -9.356 -2.175 227 HD12 LEU 31 2HD1 LEU 31 9.438 -8.057 -3.174 228 HD13 LEU 31 3HD1 LEU 31 8.306 -9.217 -3.869 229 HD21 LEU 31 3HD2 LEU 31 5.313 -7.949 -2.210 230 HD22 LEU 31 1HD2 LEU 31 6.286 -9.271 -1.556 231 HD23 LEU 31 2HD2 LEU 31 5.977 -9.178 -3.281 232 H HIS 32 H HIS 32 5.733 -6.944 1.228 233 HA HIS 32 HA HIS 32 6.750 -5.007 3.080 234 HB2 HIS 32 2HB HIS 32 4.523 -6.070 3.383 235 HB3 HIS 32 1HB HIS 32 5.309 -7.636 3.523 236 HD1 HIS 32 1HD HIS 32 5.816 -8.365 5.874 237 HD2 HIS 32 2HD HIS 32 5.237 -4.270 5.570 238 HE1 HIS 32 1HE HIS 32 5.856 -7.480 8.229 239 H LEU 33 H LEU 33 8.830 -5.114 3.126 240 HA LEU 33 HA LEU 33 10.172 -7.446 4.166 241 HB2 LEU 33 2HB LEU 33 10.334 -7.766 1.737 242 HB3 LEU 33 1HB LEU 33 10.915 -6.134 1.531 243 HG LEU 33 HG LEU 33 12.988 -6.748 2.750 244 HD11 LEU 33 1HD1 LEU 33 12.114 -8.569 4.094 245 HD12 LEU 33 2HD1 LEU 33 13.507 -9.084 3.146 246 HD13 LEU 33 3HD1 LEU 33 11.881 -9.543 2.642 247 HD21 LEU 33 3HD2 LEU 33 12.329 -8.465 0.363 248 HD22 LEU 33 1HD2 LEU 33 13.951 -8.091 0.947 249 HD23 LEU 33 2HD2 LEU 33 12.921 -6.803 0.322 Start of MODEL 16 1 H1 ASP 1 1HT ASP 1 -11.173 -3.131 -1.801 2 H2 ASP 1 2HT ASP 1 -11.943 -3.885 -3.096 3 H3 ASP 1 3HT ASP 1 -10.732 -2.735 -3.370 4 HA ASP 1 HA ASP 1 -10.281 -5.338 -2.059 5 HB2 ASP 1 2HB ASP 1 -8.979 -5.888 -4.068 6 HB3 ASP 1 1HB ASP 1 -10.649 -5.570 -4.504 7 H CYS 2 H CYS 2 -7.953 -5.732 -1.718 8 HA CYS 2 HA CYS 2 -6.780 -3.366 -0.664 9 HB2 CYS 2 2HB CYS 2 -4.871 -4.863 -0.042 10 HB3 CYS 2 1HB CYS 2 -6.422 -5.407 0.575 11 H LEU 3 H LEU 3 -4.837 -2.445 -1.249 12 HA LEU 3 HA LEU 3 -4.550 -2.176 -4.046 13 HB2 LEU 3 2HB LEU 3 -2.702 -1.183 -1.879 14 HB3 LEU 3 1HB LEU 3 -2.783 -0.629 -3.533 15 HG LEU 3 HG LEU 3 -4.954 -0.306 -1.498 16 HD11 LEU 3 1HD1 LEU 3 -2.995 1.656 -2.660 17 HD12 LEU 3 2HD1 LEU 3 -2.995 1.049 -1.002 18 HD13 LEU 3 3HD1 LEU 3 -4.320 2.070 -1.573 19 HD21 LEU 3 3HD2 LEU 3 -4.684 0.815 -4.275 20 HD22 LEU 3 1HD2 LEU 3 -5.981 1.173 -3.138 21 HD23 LEU 3 2HD2 LEU 3 -5.801 -0.462 -3.788 22 H LYS 4 H LYS 4 -3.248 -3.144 -5.299 23 HA LYS 4 HA LYS 4 -1.830 -5.447 -4.257 24 HB2 LYS 4 2HB LYS 4 -2.732 -4.696 -7.027 25 HB3 LYS 4 1HB LYS 4 -1.884 -6.190 -6.636 26 HG2 LYS 4 2HG LYS 4 -3.667 -6.952 -5.270 27 HG3 LYS 4 1HG LYS 4 -4.449 -5.377 -5.308 28 HD2 LYS 4 2HD LYS 4 -4.950 -5.636 -7.650 29 HD3 LYS 4 1HD LYS 4 -4.050 -7.154 -7.706 30 HE2 LYS 4 2HE LYS 4 -6.512 -7.470 -7.552 31 HE3 LYS 4 1HE LYS 4 -5.623 -8.207 -6.226 32 HZ1 LYS 4 3HZ LYS 4 -7.578 -7.089 -5.453 33 HZ2 LYS 4 1HZ LYS 4 -7.102 -5.588 -6.040 34 HZ3 LYS 4 2HZ LYS 4 -6.240 -6.342 -4.811 35 H PHE 5 H PHE 5 0.041 -6.038 -5.981 36 HA PHE 5 HA PHE 5 2.170 -4.430 -5.176 37 HB2 PHE 5 2HB PHE 5 2.370 -6.822 -5.709 38 HB3 PHE 5 1HB PHE 5 2.069 -6.468 -7.404 39 HD1 PHE 5 1HD PHE 5 4.403 -5.811 -4.625 40 HD2 PHE 5 2HD PHE 5 3.836 -5.923 -8.832 41 HE1 PHE 5 1HE PHE 5 6.817 -5.511 -4.952 42 HE2 PHE 5 2HE PHE 5 6.250 -5.618 -9.170 43 HZ PHE 5 HZ PHE 5 7.743 -5.415 -7.221 44 H GLY 6 H GLY 6 2.771 -2.550 -5.855 45 HA2 GLY 6 2HA GLY 6 3.597 -1.055 -7.442 46 HA3 GLY 6 1HA GLY 6 2.797 -1.984 -8.701 47 H TRP 7 H TRP 7 0.595 -1.526 -6.232 48 HA TRP 7 HA TRP 7 -0.724 0.417 -7.867 49 HB2 TRP 7 2HB TRP 7 -1.570 -1.009 -5.354 50 HB3 TRP 7 1HB TRP 7 -2.508 0.314 -6.052 51 HD1 TRP 7 HD TRP 7 -0.835 -2.338 -8.272 52 HE1 TRP 7 1HE TRP 7 -2.676 -3.699 -9.454 53 HE3 TRP 7 3HE TRP 7 -4.913 -0.438 -5.876 54 HZ2 TRP 7 2HZ TRP 7 -5.480 -3.932 -9.374 55 HZ3 TRP 7 3HZ TRP 7 -7.138 -1.283 -6.481 56 HH2 TRP 7 HH TRP 7 -7.416 -2.990 -8.192 57 H LYS 8 H LYS 8 -1.103 2.440 -7.449 58 HA LYS 8 HA LYS 8 0.815 3.780 -5.795 59 HB2 LYS 8 2HB LYS 8 -1.516 4.946 -7.328 60 HB3 LYS 8 1HB LYS 8 -0.141 5.836 -6.691 61 HG2 LYS 8 2HG LYS 8 -0.040 3.744 -8.861 62 HG3 LYS 8 1HG LYS 8 0.071 5.487 -9.088 63 HD2 LYS 8 2HD LYS 8 2.153 5.554 -7.852 64 HD3 LYS 8 1HD LYS 8 2.003 3.841 -7.464 65 HE2 LYS 8 2HE LYS 8 3.588 4.160 -9.280 66 HE3 LYS 8 1HE LYS 8 2.167 3.290 -9.857 67 HZ1 LYS 8 3HZ LYS 8 2.835 6.143 -10.276 68 HZ2 LYS 8 1HZ LYS 8 1.379 5.447 -10.778 69 HZ3 LYS 8 2HZ LYS 8 2.847 4.936 -11.417 70 H CYS 9 H CYS 9 0.576 4.440 -3.811 71 HA CYS 9 HA CYS 9 -2.099 4.374 -2.597 72 HB2 CYS 9 2HB CYS 9 -1.015 3.274 -0.664 73 HB3 CYS 9 1HB CYS 9 -0.977 2.288 -2.126 74 H ASN 10 H ASN 10 -1.896 5.322 -0.324 75 HA ASN 10 HA ASN 10 -0.028 7.571 -0.300 76 HB2 ASN 10 2HB ASN 10 -2.772 7.293 0.980 77 HB3 ASN 10 1HB ASN 10 -1.676 8.635 1.277 78 HD21 ASN 10 1HD2 ASN 10 -4.367 8.577 0.135 79 HD22 ASN 10 2HD2 ASN 10 -4.248 9.323 -1.410 80 HA PRO 11 HA PRO 11 1.889 5.023 2.808 81 HB2 PRO 11 2HB PRO 11 3.368 6.999 4.027 82 HB3 PRO 11 1HB PRO 11 3.834 6.181 2.532 83 HG2 PRO 11 2HG PRO 11 2.441 8.808 2.889 84 HG3 PRO 11 1HG PRO 11 3.780 8.398 1.803 85 HD2 PRO 11 2HD PRO 11 1.311 8.569 0.874 86 HD3 PRO 11 1HD PRO 11 2.379 7.261 0.317 87 H ARG 12 H ARG 12 0.129 7.864 3.586 88 HA ARG 12 HA ARG 12 0.089 7.490 6.419 89 HB2 ARG 12 2HB ARG 12 -1.529 9.191 4.579 90 HB3 ARG 12 1HB ARG 12 -1.780 9.158 6.317 91 HG2 ARG 12 2HG ARG 12 0.563 9.902 6.608 92 HG3 ARG 12 1HG ARG 12 0.719 9.993 4.850 93 HD2 ARG 12 2HD ARG 12 -1.071 11.620 4.760 94 HD3 ARG 12 1HD ARG 12 -1.289 11.475 6.505 95 HE ARG 12 HE ARG 12 1.360 12.211 5.814 96 HH11 ARG 12 1HH1 ARG 12 -1.906 13.484 6.215 97 HH12 ARG 12 2HH1 ARG 12 -1.424 15.077 6.583 98 HH21 ARG 12 1HH2 ARG 12 2.074 14.411 6.354 99 HH22 ARG 12 2HH2 ARG 12 0.922 15.602 6.672 100 H ASN 13 H ASN 13 -1.830 6.392 3.761 101 HA ASN 13 HA ASN 13 -3.576 4.993 5.639 102 HB2 ASN 13 2HB ASN 13 -4.859 6.883 4.651 103 HB3 ASN 13 1HB ASN 13 -4.480 6.282 3.045 104 HD21 ASN 13 1HD2 ASN 13 -6.323 5.728 5.932 105 HD22 ASN 13 2HD2 ASN 13 -7.427 4.584 5.255 106 H ASP 14 H ASP 14 -2.394 3.191 5.444 107 HA ASP 14 HA ASP 14 -1.661 2.123 2.867 108 HB2 ASP 14 2HB ASP 14 -0.244 1.814 4.921 109 HB3 ASP 14 1HB ASP 14 -1.510 0.775 5.560 110 H LYS 15 H LYS 15 -2.904 0.943 1.698 111 HA LYS 15 HA LYS 15 -4.910 -0.767 2.965 112 HB2 LYS 15 2HB LYS 15 -5.270 0.924 0.491 113 HB3 LYS 15 1HB LYS 15 -6.350 -0.385 0.935 114 HG2 LYS 15 2HG LYS 15 -5.867 2.166 2.478 115 HG3 LYS 15 1HG LYS 15 -7.305 1.756 1.548 116 HD2 LYS 15 2HD LYS 15 -6.329 0.325 4.035 117 HD3 LYS 15 1HD LYS 15 -7.660 1.464 3.965 118 HE2 LYS 15 2HE LYS 15 -7.554 -1.172 2.493 119 HE3 LYS 15 1HE LYS 15 -8.391 -0.909 4.016 120 HZ1 LYS 15 3HZ LYS 15 -9.837 0.689 2.868 121 HZ2 LYS 15 1HZ LYS 15 -9.902 -0.831 2.153 122 HZ3 LYS 15 2HZ LYS 15 -9.036 0.382 1.410 123 H CYS 16 H CYS 16 -2.147 -1.203 2.012 124 HA CYS 16 HA CYS 16 -2.469 -2.580 -0.502 125 HB2 CYS 16 2HB CYS 16 -0.090 -2.655 1.366 126 HB3 CYS 16 1HB CYS 16 -0.114 -3.099 -0.330 127 H CYS 17 H CYS 17 -2.088 -4.818 -0.757 128 HA CYS 17 HA CYS 17 -3.552 -6.462 0.939 129 HB2 CYS 17 2HB CYS 17 -1.519 -7.189 -1.162 130 HB3 CYS 17 1HB CYS 17 -2.682 -8.314 -0.474 131 H SER 18 H SER 18 -2.655 -8.623 1.839 132 HA SER 18 HA SER 18 -0.932 -8.016 3.977 133 HB2 SER 18 2HB SER 18 -1.875 -10.689 2.963 134 HB3 SER 18 1HB SER 18 -1.290 -10.330 4.592 135 HG SER 18 HG SER 18 -3.079 -8.736 4.605 136 H GLY 19 H GLY 19 1.258 -8.181 4.080 137 HA2 GLY 19 2HA GLY 19 3.369 -9.104 3.616 138 HA3 GLY 19 1HA GLY 19 2.659 -9.969 2.254 139 H LEU 20 H LEU 20 1.507 -6.936 2.183 140 HA LEU 20 HA LEU 20 3.590 -5.958 0.370 141 HB2 LEU 20 2HB LEU 20 1.220 -6.906 -0.381 142 HB3 LEU 20 1HB LEU 20 0.694 -5.323 0.135 143 HG LEU 20 HG LEU 20 2.318 -4.344 -1.493 144 HD11 LEU 20 1HD1 LEU 20 3.819 -6.216 -1.688 145 HD12 LEU 20 2HD1 LEU 20 3.073 -5.885 -3.264 146 HD13 LEU 20 3HD1 LEU 20 2.513 -7.238 -2.278 147 HD21 LEU 20 3HD2 LEU 20 -0.037 -4.550 -1.999 148 HD22 LEU 20 1HD2 LEU 20 0.222 -6.215 -2.534 149 HD23 LEU 20 2HD2 LEU 20 0.963 -4.889 -3.418 150 H LYS 21 H LYS 21 3.851 -3.626 0.591 151 HA LYS 21 HA LYS 21 2.199 -2.314 2.588 152 HB2 LYS 21 2HB LYS 21 3.964 -3.283 3.909 153 HB3 LYS 21 1HB LYS 21 5.184 -2.567 2.854 154 HG2 LYS 21 2HG LYS 21 4.438 -0.333 3.545 155 HG3 LYS 21 1HG LYS 21 3.267 -1.076 4.629 156 HD2 LYS 21 2HD LYS 21 5.002 -2.020 5.967 157 HD3 LYS 21 1HD LYS 21 6.233 -1.548 4.791 158 HE2 LYS 21 2HE LYS 21 4.497 0.358 6.353 159 HE3 LYS 21 1HE LYS 21 6.168 -0.043 6.744 160 HZ1 LYS 21 3HZ LYS 21 6.818 0.842 4.565 161 HZ2 LYS 21 1HZ LYS 21 6.073 2.015 5.515 162 HZ3 LYS 21 2HZ LYS 21 5.227 1.298 4.252 163 H CYS 22 H CYS 22 2.054 -0.196 2.402 164 HA CYS 22 HA CYS 22 3.050 1.063 0.006 165 HB2 CYS 22 2HB CYS 22 0.734 1.447 0.904 166 HB3 CYS 22 1HB CYS 22 1.456 2.220 2.311 167 H GLY 23 H GLY 23 4.796 2.359 -0.020 168 HA2 GLY 23 2HA GLY 23 6.253 2.541 2.498 169 HA3 GLY 23 1HA GLY 23 6.938 2.660 0.885 170 H SER 24 H SER 24 7.738 4.418 2.616 171 HA SER 24 HA SER 24 6.254 6.868 2.108 172 HB2 SER 24 2HB SER 24 8.000 7.730 3.763 173 HB3 SER 24 1HB SER 24 6.799 6.597 4.400 174 HG SER 24 HG SER 24 9.426 6.383 4.396 175 H ASN 25 H ASN 25 9.131 5.086 1.423 176 HA ASN 25 HA ASN 25 10.543 7.227 0.116 177 HB2 ASN 25 2HB ASN 25 11.686 5.322 1.251 178 HB3 ASN 25 1HB ASN 25 10.976 4.243 0.060 179 HD21 ASN 25 1HD2 ASN 25 12.925 3.544 -0.654 180 HD22 ASN 25 2HD2 ASN 25 13.973 4.521 -1.626 181 H HIS 26 H HIS 26 8.273 4.760 -0.644 182 HA HIS 26 HA HIS 26 8.387 5.499 -3.470 183 HB2 HIS 26 2HB HIS 26 7.920 2.738 -2.316 184 HB3 HIS 26 1HB HIS 26 7.772 3.157 -4.020 185 HD1 HIS 26 1HD HIS 26 10.077 1.671 -1.737 186 HD2 HIS 26 2HD HIS 26 10.299 4.316 -4.885 187 HE1 HIS 26 1HE HIS 26 12.475 1.587 -2.508 188 H ASN 27 H ASN 27 6.381 5.662 -4.467 189 HA ASN 27 HA ASN 27 4.239 6.292 -2.574 190 HB2 ASN 27 2HB ASN 27 4.371 6.872 -5.545 191 HB3 ASN 27 1HB ASN 27 3.246 7.549 -4.385 192 HD21 ASN 27 1HD2 ASN 27 5.453 7.919 -2.397 193 HD22 ASN 27 2HD2 ASN 27 6.321 9.289 -2.945 194 H TRP 28 H TRP 28 4.896 3.566 -3.389 195 HA TRP 28 HA TRP 28 2.267 2.773 -4.279 196 HB2 TRP 28 2HB TRP 28 3.236 1.111 -5.913 197 HB3 TRP 28 1HB TRP 28 3.337 2.794 -6.394 198 HD1 TRP 28 HD TRP 28 5.946 1.392 -3.993 199 HE1 TRP 28 1HE TRP 28 8.215 1.235 -5.215 200 HE3 TRP 28 3HE TRP 28 4.413 2.505 -8.699 201 HZ2 TRP 28 2HZ TRP 28 9.202 1.510 -7.782 202 HZ3 TRP 28 3HZ TRP 28 6.079 2.546 -10.497 203 HH2 TRP 28 HH TRP 28 8.432 2.061 -10.056 204 H CYS 29 H CYS 29 1.888 0.508 -4.096 205 HA CYS 29 HA CYS 29 2.780 -0.599 -1.616 206 HB2 CYS 29 2HB CYS 29 1.044 -1.605 -3.834 207 HB3 CYS 29 1HB CYS 29 1.255 -2.514 -2.370 208 H LYS 30 H LYS 30 4.732 -1.568 -1.491 209 HA LYS 30 HA LYS 30 5.529 -3.407 -3.670 210 HB2 LYS 30 2HB LYS 30 7.348 -1.982 -1.704 211 HB3 LYS 30 1HB LYS 30 7.877 -3.155 -2.886 212 HG2 LYS 30 2HG LYS 30 6.672 -0.470 -3.467 213 HG3 LYS 30 1HG LYS 30 8.382 -0.869 -3.539 214 HD2 LYS 30 2HD LYS 30 6.224 -2.100 -5.274 215 HD3 LYS 30 1HD LYS 30 7.286 -0.788 -5.761 216 HE2 LYS 30 2HE LYS 30 8.051 -3.643 -5.146 217 HE3 LYS 30 1HE LYS 30 8.097 -2.779 -6.683 218 HZ1 LYS 30 3HZ LYS 30 9.863 -1.414 -5.911 219 HZ2 LYS 30 1HZ LYS 30 10.282 -3.009 -5.698 220 HZ3 LYS 30 2HZ LYS 30 9.840 -2.104 -4.370 221 H LEU 31 H LEU 31 7.314 -4.998 -2.476 222 HA LEU 31 HA LEU 31 5.648 -6.639 -0.849 223 HB2 LEU 31 2HB LEU 31 8.592 -6.864 -1.462 224 HB3 LEU 31 1HB LEU 31 7.595 -8.119 -0.769 225 HG LEU 31 HG LEU 31 7.354 -7.008 -3.564 226 HD11 LEU 31 1HD1 LEU 31 8.349 -9.664 -2.562 227 HD12 LEU 31 2HD1 LEU 31 9.322 -8.379 -3.281 228 HD13 LEU 31 3HD1 LEU 31 8.116 -9.222 -4.253 229 HD21 LEU 31 3HD2 LEU 31 5.170 -7.678 -2.725 230 HD22 LEU 31 1HD2 LEU 31 5.828 -9.232 -2.209 231 HD23 LEU 31 2HD2 LEU 31 5.748 -8.832 -3.923 232 H HIS 32 H HIS 32 6.003 -7.247 1.292 233 HA HIS 32 HA HIS 32 7.457 -5.258 2.845 234 HB2 HIS 32 2HB HIS 32 5.057 -5.728 3.412 235 HB3 HIS 32 1HB HIS 32 5.535 -7.379 3.811 236 HD1 HIS 32 1HD HIS 32 6.162 -7.749 6.224 237 HD2 HIS 32 2HD HIS 32 6.375 -3.759 5.108 238 HE1 HIS 32 1HE HIS 32 6.686 -6.463 8.330 239 H LEU 33 H LEU 33 9.452 -5.936 2.575 240 HA LEU 33 HA LEU 33 10.271 -8.359 3.915 241 HB2 LEU 33 2HB LEU 33 9.968 -8.977 1.525 242 HB3 LEU 33 1HB LEU 33 11.051 -7.683 1.064 243 HG LEU 33 HG LEU 33 12.906 -8.849 2.219 244 HD11 LEU 33 1HD1 LEU 33 10.878 -11.033 2.634 245 HD12 LEU 33 2HD1 LEU 33 11.639 -10.055 3.892 246 HD13 LEU 33 3HD1 LEU 33 12.611 -11.166 2.930 247 HD21 LEU 33 3HD2 LEU 33 11.434 -10.519 0.184 248 HD22 LEU 33 1HD2 LEU 33 13.143 -10.662 0.594 249 HD23 LEU 33 2HD2 LEU 33 12.539 -9.191 -0.169 Start of MODEL 17 1 H1 ASP 1 1HT ASP 1 -10.674 -3.096 -3.667 2 H2 ASP 1 2HT ASP 1 -11.144 -2.936 -2.061 3 H3 ASP 1 3HT ASP 1 -11.996 -3.985 -3.075 4 HA ASP 1 HA ASP 1 -10.516 -5.159 -1.555 5 HB2 ASP 1 2HB ASP 1 -10.927 -5.902 -4.022 6 HB3 ASP 1 1HB ASP 1 -9.320 -5.260 -4.340 7 H CYS 2 H CYS 2 -7.902 -5.755 -1.835 8 HA CYS 2 HA CYS 2 -6.744 -3.390 -0.676 9 HB2 CYS 2 2HB CYS 2 -4.795 -4.887 -0.270 10 HB3 CYS 2 1HB CYS 2 -6.296 -5.478 0.424 11 H LEU 3 H LEU 3 -4.774 -2.449 -1.344 12 HA LEU 3 HA LEU 3 -4.510 -2.188 -4.178 13 HB2 LEU 3 2HB LEU 3 -2.653 -1.198 -2.019 14 HB3 LEU 3 1HB LEU 3 -2.704 -0.679 -3.683 15 HG LEU 3 HG LEU 3 -4.878 -0.250 -1.682 16 HD11 LEU 3 1HD1 LEU 3 -2.817 1.618 -2.843 17 HD12 LEU 3 2HD1 LEU 3 -2.847 1.010 -1.189 18 HD13 LEU 3 3HD1 LEU 3 -4.126 2.084 -1.759 19 HD21 LEU 3 3HD2 LEU 3 -5.795 1.265 -3.375 20 HD22 LEU 3 1HD2 LEU 3 -5.695 -0.395 -3.974 21 HD23 LEU 3 2HD2 LEU 3 -4.495 0.800 -4.472 22 H LYS 4 H LYS 4 -3.007 -3.083 -5.414 23 HA LYS 4 HA LYS 4 -1.629 -5.330 -4.177 24 HB2 LYS 4 2HB LYS 4 -2.454 -4.944 -7.050 25 HB3 LYS 4 1HB LYS 4 -1.809 -6.434 -6.352 26 HG2 LYS 4 2HG LYS 4 -3.687 -6.481 -4.769 27 HG3 LYS 4 1HG LYS 4 -4.349 -5.049 -5.529 28 HD2 LYS 4 2HD LYS 4 -4.591 -6.359 -7.623 29 HD3 LYS 4 1HD LYS 4 -4.047 -7.793 -6.738 30 HE2 LYS 4 2HE LYS 4 -6.488 -6.112 -6.153 31 HE3 LYS 4 1HE LYS 4 -6.454 -7.782 -6.717 32 HZ1 LYS 4 3HZ LYS 4 -6.892 -7.505 -4.283 33 HZ2 LYS 4 1HZ LYS 4 -5.348 -6.894 -4.108 34 HZ3 LYS 4 2HZ LYS 4 -5.551 -8.486 -4.608 35 H PHE 5 H PHE 5 0.287 -6.047 -5.761 36 HA PHE 5 HA PHE 5 2.322 -4.275 -5.104 37 HB2 PHE 5 2HB PHE 5 2.584 -6.727 -5.398 38 HB3 PHE 5 1HB PHE 5 2.422 -6.510 -7.133 39 HD1 PHE 5 2HD PHE 5 4.456 -5.098 -4.330 40 HD2 PHE 5 1HD PHE 5 4.386 -6.532 -8.331 41 HE1 PHE 5 2HE PHE 5 6.884 -4.784 -4.480 42 HE2 PHE 5 1HE PHE 5 6.818 -6.219 -8.481 43 HZ PHE 5 HZ PHE 5 8.068 -5.344 -6.553 44 H GLY 6 H GLY 6 2.909 -2.472 -5.939 45 HA2 GLY 6 2HA GLY 6 3.731 -1.131 -7.689 46 HA3 GLY 6 1HA GLY 6 2.822 -2.108 -8.833 47 H TRP 7 H TRP 7 0.645 -1.593 -6.439 48 HA TRP 7 HA TRP 7 -0.637 0.384 -8.050 49 HB2 TRP 7 2HB TRP 7 -1.471 -0.996 -5.496 50 HB3 TRP 7 1HB TRP 7 -2.439 0.278 -6.220 51 HD1 TRP 7 HD TRP 7 -0.746 -2.439 -8.308 52 HE1 TRP 7 1HE TRP 7 -2.590 -3.931 -9.390 53 HE3 TRP 7 3HE TRP 7 -4.829 -0.452 -6.029 54 HZ2 TRP 7 2HZ TRP 7 -5.382 -4.182 -9.278 55 HZ3 TRP 7 3HZ TRP 7 -7.050 -1.358 -6.557 56 HH2 TRP 7 HH TRP 7 -7.319 -3.178 -8.146 57 H LYS 8 H LYS 8 -1.081 2.531 -7.395 58 HA LYS 8 HA LYS 8 0.861 3.553 -5.576 59 HB2 LYS 8 2HB LYS 8 0.142 5.775 -6.189 60 HB3 LYS 8 1HB LYS 8 0.248 4.814 -7.643 61 HG2 LYS 8 2HG LYS 8 -1.681 5.979 -8.025 62 HG3 LYS 8 1HG LYS 8 -2.343 4.542 -7.250 63 HD2 LYS 8 2HD LYS 8 -2.392 5.715 -5.099 64 HD3 LYS 8 1HD LYS 8 -1.706 7.149 -5.859 65 HE2 LYS 8 2HE LYS 8 -4.082 7.418 -5.601 66 HE3 LYS 8 1HE LYS 8 -3.677 7.297 -7.311 67 HZ1 LYS 8 3HZ LYS 8 -5.632 5.967 -6.767 68 HZ2 LYS 8 1HZ LYS 8 -4.754 5.093 -5.635 69 HZ3 LYS 8 2HZ LYS 8 -4.383 4.967 -7.265 70 H CYS 9 H CYS 9 0.594 4.354 -3.603 71 HA CYS 9 HA CYS 9 -1.911 3.541 -2.296 72 HB2 CYS 9 2HB CYS 9 -0.433 3.093 -0.329 73 HB3 CYS 9 1HB CYS 9 -0.111 2.062 -1.724 74 H ASN 10 H ASN 10 -1.563 4.591 0.144 75 HA ASN 10 HA ASN 10 -1.071 7.431 -0.256 76 HB2 ASN 10 2HB ASN 10 -3.248 6.077 1.357 77 HB3 ASN 10 1HB ASN 10 -2.800 7.749 1.635 78 HD21 ASN 10 1HD2 ASN 10 -5.305 6.632 0.773 79 HD22 ASN 10 2HD2 ASN 10 -5.695 7.364 -0.735 80 HA PRO 11 HA PRO 11 2.235 6.463 2.499 81 HB2 PRO 11 2HB PRO 11 2.702 9.046 3.364 82 HB3 PRO 11 1HB PRO 11 3.359 8.336 1.890 83 HG2 PRO 11 2HG PRO 11 0.965 10.079 2.261 84 HG3 PRO 11 1HG PRO 11 2.184 10.111 0.976 85 HD2 PRO 11 2HD PRO 11 -0.217 9.058 0.564 86 HD3 PRO 11 1HD PRO 11 1.228 8.296 -0.134 87 H ARG 12 H ARG 12 -0.569 8.167 3.640 88 HA ARG 12 HA ARG 12 0.262 7.800 6.415 89 HB2 ARG 12 2HB ARG 12 -2.098 9.196 5.237 90 HB3 ARG 12 1HB ARG 12 -1.697 9.130 6.943 91 HG2 ARG 12 2HG ARG 12 0.404 10.295 6.523 92 HG3 ARG 12 1HG ARG 12 0.090 10.269 4.790 93 HD2 ARG 12 2HD ARG 12 -2.002 11.566 5.298 94 HD3 ARG 12 1HD ARG 12 -1.346 11.767 6.930 95 HE ARG 12 HE ARG 12 0.692 12.623 5.583 96 HH11 ARG 12 1HH1 ARG 12 -2.710 13.412 5.131 97 HH12 ARG 12 2HH1 ARG 12 -2.472 14.801 4.208 98 HH21 ARG 12 1HH2 ARG 12 1.100 14.553 4.314 99 HH22 ARG 12 2HH2 ARG 12 -0.186 15.483 3.704 100 H ASN 13 H ASN 13 -1.960 6.558 4.116 101 HA ASN 13 HA ASN 13 -3.007 4.706 6.145 102 HB2 ASN 13 2HB ASN 13 -4.826 6.279 5.691 103 HB3 ASN 13 1HB ASN 13 -4.665 5.997 3.960 104 HD21 ASN 13 1HD2 ASN 13 -5.748 4.643 6.976 105 HD22 ASN 13 2HD2 ASN 13 -6.628 3.322 6.291 106 H ASP 14 H ASP 14 -2.343 2.809 5.692 107 HA ASP 14 HA ASP 14 -1.579 2.092 2.970 108 HB2 ASP 14 2HB ASP 14 -0.088 1.640 4.898 109 HB3 ASP 14 1HB ASP 14 -1.292 0.541 5.533 110 H LYS 15 H LYS 15 -2.948 1.056 1.725 111 HA LYS 15 HA LYS 15 -4.823 -0.820 2.949 112 HB2 LYS 15 2HB LYS 15 -5.275 1.091 0.676 113 HB3 LYS 15 1HB LYS 15 -6.227 -0.379 0.818 114 HG2 LYS 15 2HG LYS 15 -6.040 1.822 2.864 115 HG3 LYS 15 1HG LYS 15 -7.410 1.497 1.793 116 HD2 LYS 15 2HD LYS 15 -7.642 -0.747 2.830 117 HD3 LYS 15 1HD LYS 15 -6.322 -0.347 3.923 118 HE2 LYS 15 2HE LYS 15 -8.357 -0.038 5.059 119 HE3 LYS 15 1HE LYS 15 -7.595 1.525 4.760 120 HZ1 LYS 15 3HZ LYS 15 -9.137 1.893 2.921 121 HZ2 LYS 15 1HZ LYS 15 -9.956 1.607 4.358 122 HZ3 LYS 15 2HZ LYS 15 -9.880 0.398 3.203 123 H CYS 16 H CYS 16 -2.081 -1.167 1.903 124 HA CYS 16 HA CYS 16 -2.402 -2.520 -0.601 125 HB2 CYS 16 2HB CYS 16 -0.044 -2.611 1.301 126 HB3 CYS 16 1HB CYS 16 -0.032 -3.072 -0.385 127 H CYS 17 H CYS 17 -2.001 -4.788 -0.862 128 HA CYS 17 HA CYS 17 -3.595 -6.396 0.767 129 HB2 CYS 17 2HB CYS 17 -1.519 -7.217 -1.258 130 HB3 CYS 17 1HB CYS 17 -2.746 -8.286 -0.588 131 H SER 18 H SER 18 -2.923 -8.512 1.752 132 HA SER 18 HA SER 18 -1.229 -8.095 3.927 133 HB2 SER 18 2HB SER 18 -2.287 -10.672 2.776 134 HB3 SER 18 1HB SER 18 -1.743 -10.413 4.437 135 HG SER 18 HG SER 18 -4.078 -10.282 3.918 136 H GLY 19 H GLY 19 0.916 -8.183 4.006 137 HA2 GLY 19 2HA GLY 19 3.043 -9.166 3.679 138 HA3 GLY 19 1HA GLY 19 2.402 -10.045 2.292 139 H LEU 20 H LEU 20 1.334 -6.929 2.245 140 HA LEU 20 HA LEU 20 3.487 -5.998 0.484 141 HB2 LEU 20 2HB LEU 20 1.116 -6.862 -0.343 142 HB3 LEU 20 1HB LEU 20 0.618 -5.280 0.190 143 HG LEU 20 HG LEU 20 2.321 -4.326 -1.390 144 HD11 LEU 20 1HD1 LEU 20 2.356 -7.204 -2.264 145 HD12 LEU 20 2HD1 LEU 20 3.708 -6.297 -1.587 146 HD13 LEU 20 3HD1 LEU 20 3.050 -5.861 -3.173 147 HD21 LEU 20 3HD2 LEU 20 0.160 -6.079 -2.504 148 HD22 LEU 20 1HD2 LEU 20 0.918 -4.718 -3.319 149 HD23 LEU 20 2HD2 LEU 20 -0.064 -4.447 -1.878 150 H LYS 21 H LYS 21 3.836 -3.701 0.750 151 HA LYS 21 HA LYS 21 2.084 -2.253 2.512 152 HB2 LYS 21 2HB LYS 21 3.607 -3.296 4.080 153 HB3 LYS 21 1HB LYS 21 4.990 -2.647 3.209 154 HG2 LYS 21 2HG LYS 21 4.407 -0.392 3.803 155 HG3 LYS 21 1HG LYS 21 2.888 -0.928 4.509 156 HD2 LYS 21 2HD LYS 21 5.600 -1.745 5.538 157 HD3 LYS 21 1HD LYS 21 4.694 -0.365 6.155 158 HE2 LYS 21 2HE LYS 21 2.830 -1.901 6.725 159 HE3 LYS 21 1HE LYS 21 3.822 -3.257 6.194 160 HZ1 LYS 21 3HZ LYS 21 5.441 -2.675 7.912 161 HZ2 LYS 21 1HZ LYS 21 3.935 -2.990 8.593 162 HZ3 LYS 21 2HZ LYS 21 4.476 -1.404 8.414 163 H CYS 22 H CYS 22 2.107 -0.178 2.252 164 HA CYS 22 HA CYS 22 2.969 0.968 -0.167 165 HB2 CYS 22 2HB CYS 22 0.985 1.729 1.010 166 HB3 CYS 22 1HB CYS 22 1.949 2.184 2.403 167 H GLY 23 H GLY 23 4.713 2.134 -0.664 168 HA2 GLY 23 2HA GLY 23 7.037 2.035 0.938 169 HA3 GLY 23 1HA GLY 23 6.849 2.980 -0.527 170 H SER 24 H SER 24 8.185 3.695 1.922 171 HA SER 24 HA SER 24 6.543 5.725 3.121 172 HB2 SER 24 2HB SER 24 8.804 6.119 4.335 173 HB3 SER 24 1HB SER 24 7.923 4.621 4.659 174 HG SER 24 HG SER 24 9.807 3.828 4.184 175 H ASN 25 H ASN 25 9.531 5.545 1.241 176 HA ASN 25 HA ASN 25 9.520 8.403 0.742 177 HB2 ASN 25 2HB ASN 25 11.693 7.311 1.024 178 HB3 ASN 25 1HB ASN 25 11.340 6.208 -0.299 179 HD21 ASN 25 1HD2 ASN 25 12.314 9.441 0.554 180 HD22 ASN 25 2HD2 ASN 25 12.761 9.931 -1.028 181 H HIS 26 H HIS 26 8.774 5.444 -0.879 182 HA HIS 26 HA HIS 26 8.105 6.825 -3.347 183 HB2 HIS 26 2HB HIS 26 8.154 3.886 -2.618 184 HB3 HIS 26 1HB HIS 26 7.573 4.466 -4.162 185 HD1 HIS 26 1HD HIS 26 9.321 4.575 -5.985 186 HD2 HIS 26 2HD HIS 26 10.856 4.664 -2.161 187 HE1 HIS 26 1HE HIS 26 11.811 4.452 -6.269 188 H ASN 27 H ASN 27 5.948 5.745 -4.340 189 HA ASN 27 HA ASN 27 3.864 6.156 -2.313 190 HB2 ASN 27 2HB ASN 27 4.237 8.175 -3.749 191 HB3 ASN 27 1HB ASN 27 3.816 7.206 -5.151 192 HD21 ASN 27 1HD2 ASN 27 2.237 7.062 -1.979 193 HD22 ASN 27 2HD2 ASN 27 0.700 7.582 -2.550 194 H TRP 28 H TRP 28 4.946 3.694 -3.408 195 HA TRP 28 HA TRP 28 2.427 2.701 -4.466 196 HB2 TRP 28 2HB TRP 28 3.714 1.046 -5.884 197 HB3 TRP 28 1HB TRP 28 3.716 2.714 -6.432 198 HD1 TRP 28 HD TRP 28 6.118 1.660 -3.662 199 HE1 TRP 28 1HE TRP 28 8.512 1.693 -4.575 200 HE3 TRP 28 3HE TRP 28 5.102 2.435 -8.594 201 HZ2 TRP 28 2HZ TRP 28 9.784 1.959 -6.974 202 HZ3 TRP 28 3HZ TRP 28 6.995 2.559 -10.157 203 HH2 TRP 28 HH TRP 28 9.285 2.335 -9.381 204 H CYS 29 H CYS 29 2.020 0.523 -4.199 205 HA CYS 29 HA CYS 29 2.773 -0.549 -1.657 206 HB2 CYS 29 2HB CYS 29 1.109 -1.501 -3.945 207 HB3 CYS 29 1HB CYS 29 1.270 -2.489 -2.531 208 H LYS 30 H LYS 30 4.657 -1.553 -1.374 209 HA LYS 30 HA LYS 30 5.742 -3.255 -3.522 210 HB2 LYS 30 2HB LYS 30 7.184 -1.845 -1.254 211 HB3 LYS 30 1HB LYS 30 7.949 -2.942 -2.385 212 HG2 LYS 30 2HG LYS 30 6.611 -0.360 -3.185 213 HG3 LYS 30 1HG LYS 30 8.329 -0.508 -2.862 214 HD2 LYS 30 2HD LYS 30 6.855 -2.076 -4.980 215 HD3 LYS 30 1HD LYS 30 7.717 -0.568 -5.269 216 HE2 LYS 30 2HE LYS 30 9.775 -1.679 -4.358 217 HE3 LYS 30 1HE LYS 30 8.854 -3.180 -4.323 218 HZ1 LYS 30 3HZ LYS 30 9.545 -1.589 -6.733 219 HZ2 LYS 30 1HZ LYS 30 8.519 -2.929 -6.747 220 HZ3 LYS 30 2HZ LYS 30 10.124 -3.094 -6.302 221 H LEU 31 H LEU 31 7.259 -5.023 -2.309 222 HA LEU 31 HA LEU 31 5.445 -6.593 -0.766 223 HB2 LEU 31 2HB LEU 31 8.414 -6.938 -1.191 224 HB3 LEU 31 1HB LEU 31 7.352 -8.125 -0.474 225 HG LEU 31 HG LEU 31 7.273 -7.182 -3.343 226 HD11 LEU 31 1HD1 LEU 31 8.145 -9.783 -2.107 227 HD12 LEU 31 2HD1 LEU 31 9.188 -8.581 -2.868 228 HD13 LEU 31 3HD1 LEU 31 8.005 -9.465 -3.833 229 HD21 LEU 31 3HD2 LEU 31 5.632 -9.288 -1.929 230 HD22 LEU 31 1HD2 LEU 31 5.636 -8.984 -3.667 231 HD23 LEU 31 2HD2 LEU 31 5.036 -7.752 -2.564 232 H HIS 32 H HIS 32 5.504 -7.107 1.416 233 HA HIS 32 HA HIS 32 6.801 -5.086 3.006 234 HB2 HIS 32 2HB HIS 32 4.462 -5.791 3.537 235 HB3 HIS 32 1HB HIS 32 5.083 -7.392 3.947 236 HD1 HIS 32 1HD HIS 32 4.507 -7.325 6.486 237 HD2 HIS 32 2HD HIS 32 6.757 -4.073 5.194 238 HE1 HIS 32 1HE HIS 32 5.171 -6.079 8.545 239 H LEU 33 H LEU 33 8.815 -5.524 2.669 240 HA LEU 33 HA LEU 33 10.016 -7.588 4.278 241 HB2 LEU 33 2HB LEU 33 9.813 -8.588 2.014 242 HB3 LEU 33 1HB LEU 33 10.620 -7.196 1.332 243 HG LEU 33 HG LEU 33 12.687 -7.816 2.529 244 HD11 LEU 33 1HD1 LEU 33 11.720 -8.964 4.436 245 HD12 LEU 33 2HD1 LEU 33 12.858 -10.015 3.593 246 HD13 LEU 33 3HD1 LEU 33 11.123 -10.247 3.382 247 HD21 LEU 33 3HD2 LEU 33 13.222 -9.777 1.176 248 HD22 LEU 33 1HD2 LEU 33 12.313 -8.589 0.245 249 HD23 LEU 33 2HD2 LEU 33 11.507 -10.032 0.857 Start of MODEL 18 1 H1 ASP 1 1HT ASP 1 -11.221 -2.430 -0.409 2 H2 ASP 1 2HT ASP 1 -10.796 -3.508 0.811 3 H3 ASP 1 3HT ASP 1 -12.107 -3.866 -0.202 4 HA ASP 1 HA ASP 1 -10.188 -5.130 -0.801 5 HB2 ASP 1 2HB ASP 1 -10.004 -4.484 -3.167 6 HB3 ASP 1 1HB ASP 1 -11.678 -4.395 -2.629 7 H CYS 2 H CYS 2 -8.023 -5.247 -1.135 8 HA CYS 2 HA CYS 2 -6.555 -2.962 -0.154 9 HB2 CYS 2 2HB CYS 2 -4.678 -4.590 0.006 10 HB3 CYS 2 1HB CYS 2 -6.103 -5.016 0.947 11 H LEU 3 H LEU 3 -4.468 -2.454 -1.132 12 HA LEU 3 HA LEU 3 -4.684 -2.181 -4.005 13 HB2 LEU 3 2HB LEU 3 -2.529 -1.223 -2.122 14 HB3 LEU 3 1HB LEU 3 -2.758 -0.736 -3.785 15 HG LEU 3 HG LEU 3 -4.672 -0.170 -1.554 16 HD11 LEU 3 1HD1 LEU 3 -2.578 1.039 -1.256 17 HD12 LEU 3 2HD1 LEU 3 -3.851 2.153 -1.760 18 HD13 LEU 3 3HD1 LEU 3 -2.647 1.604 -2.924 19 HD21 LEU 3 3HD2 LEU 3 -5.664 -0.332 -3.805 20 HD22 LEU 3 1HD2 LEU 3 -4.556 0.920 -4.356 21 HD23 LEU 3 2HD2 LEU 3 -5.774 1.286 -3.121 22 H LYS 4 H LYS 4 -3.249 -3.053 -5.405 23 HA LYS 4 HA LYS 4 -1.943 -5.464 -4.465 24 HB2 LYS 4 2HB LYS 4 -2.692 -4.485 -7.205 25 HB3 LYS 4 1HB LYS 4 -1.878 -6.009 -6.896 26 HG2 LYS 4 2HG LYS 4 -3.760 -6.827 -5.646 27 HG3 LYS 4 1HG LYS 4 -4.558 -5.259 -5.761 28 HD2 LYS 4 2HD LYS 4 -4.743 -5.491 -8.154 29 HD3 LYS 4 1HD LYS 4 -3.840 -7.005 -8.103 30 HE2 LYS 4 2HE LYS 4 -5.594 -8.046 -6.809 31 HE3 LYS 4 1HE LYS 4 -6.469 -6.519 -6.723 32 HZ1 LYS 4 3HZ LYS 4 -6.862 -6.586 -9.034 33 HZ2 LYS 4 1HZ LYS 4 -7.332 -8.073 -8.425 34 HZ3 LYS 4 2HZ LYS 4 -5.873 -7.905 -9.282 35 H PHE 5 H PHE 5 0.040 -6.001 -6.031 36 HA PHE 5 HA PHE 5 2.078 -4.299 -5.091 37 HB2 PHE 5 2HB PHE 5 2.403 -6.705 -5.376 38 HB3 PHE 5 1HB PHE 5 2.184 -6.544 -7.111 39 HD1 PHE 5 2HD PHE 5 4.291 -5.009 -4.432 40 HD2 PHE 5 1HD PHE 5 4.092 -6.614 -8.360 41 HE1 PHE 5 2HE PHE 5 6.712 -4.673 -4.690 42 HE2 PHE 5 1HE PHE 5 6.507 -6.274 -8.616 43 HZ PHE 5 HZ PHE 5 7.816 -5.302 -6.776 44 H GLY 6 H GLY 6 2.852 -2.518 -5.904 45 HA2 GLY 6 2HA GLY 6 3.714 -1.170 -7.599 46 HA3 GLY 6 1HA GLY 6 2.798 -2.098 -8.781 47 H TRP 7 H TRP 7 0.646 -1.515 -6.352 48 HA TRP 7 HA TRP 7 -0.528 0.587 -7.923 49 HB2 TRP 7 2HB TRP 7 -1.517 -0.901 -5.491 50 HB3 TRP 7 1HB TRP 7 -2.375 0.469 -6.199 51 HD1 TRP 7 HD TRP 7 -0.748 -2.157 -8.449 52 HE1 TRP 7 1HE TRP 7 -2.591 -3.471 -9.678 53 HE3 TRP 7 3HE TRP 7 -4.810 -0.279 -6.013 54 HZ2 TRP 7 2HZ TRP 7 -5.418 -3.673 -9.609 55 HZ3 TRP 7 3HZ TRP 7 -7.044 -1.075 -6.640 56 HH2 TRP 7 HH TRP 7 -7.344 -2.734 -8.402 57 H LYS 8 H LYS 8 -0.796 2.674 -7.268 58 HA LYS 8 HA LYS 8 1.137 3.688 -5.445 59 HB2 LYS 8 2HB LYS 8 0.273 4.903 -7.490 60 HB3 LYS 8 1HB LYS 8 -1.228 5.179 -6.624 61 HG2 LYS 8 2HG LYS 8 1.433 6.164 -5.602 62 HG3 LYS 8 1HG LYS 8 0.484 7.109 -6.728 63 HD2 LYS 8 2HD LYS 8 -0.453 6.191 -4.000 64 HD3 LYS 8 1HD LYS 8 0.219 7.782 -4.345 65 HE2 LYS 8 2HE LYS 8 -1.622 8.239 -5.875 66 HE3 LYS 8 1HE LYS 8 -2.277 6.630 -5.596 67 HZ1 LYS 8 3HZ LYS 8 -1.956 8.695 -3.484 68 HZ2 LYS 8 1HZ LYS 8 -2.732 7.206 -3.318 69 HZ3 LYS 8 2HZ LYS 8 -3.376 8.387 -4.320 70 H CYS 9 H CYS 9 0.945 4.121 -3.390 71 HA CYS 9 HA CYS 9 -1.638 3.535 -2.124 72 HB2 CYS 9 2HB CYS 9 -0.298 2.927 -0.125 73 HB3 CYS 9 1HB CYS 9 0.020 1.892 -1.515 74 H ASN 10 H ASN 10 -2.198 4.763 -0.300 75 HA ASN 10 HA ASN 10 -1.273 7.498 -0.411 76 HB2 ASN 10 2HB ASN 10 -3.425 6.097 1.194 77 HB3 ASN 10 1HB ASN 10 -3.055 7.801 1.369 78 HD21 ASN 10 1HD2 ASN 10 -5.461 6.372 0.526 79 HD22 ASN 10 2HD2 ASN 10 -5.901 7.035 -1.009 80 HA PRO 11 HA PRO 11 1.721 6.457 2.761 81 HB2 PRO 11 2HB PRO 11 2.263 9.069 3.517 82 HB3 PRO 11 1HB PRO 11 3.043 8.231 2.175 83 HG2 PRO 11 2HG PRO 11 0.759 10.156 2.134 84 HG3 PRO 11 1HG PRO 11 2.120 10.011 1.010 85 HD2 PRO 11 2HD PRO 11 -0.309 9.082 0.391 86 HD3 PRO 11 1HD PRO 11 1.154 8.223 -0.122 87 H ARG 12 H ARG 12 -1.078 8.454 3.231 88 HA ARG 12 HA ARG 12 -0.918 8.456 6.099 89 HB2 ARG 12 2HB ARG 12 -3.103 9.262 4.219 90 HB3 ARG 12 1HB ARG 12 -3.227 9.369 5.966 91 HG2 ARG 12 2HG ARG 12 -1.311 10.868 6.011 92 HG3 ARG 12 1HG ARG 12 -1.195 10.767 4.254 93 HD2 ARG 12 2HD ARG 12 -3.445 11.691 4.067 94 HD3 ARG 12 1HD ARG 12 -3.531 11.796 5.827 95 HE ARG 12 HE ARG 12 -1.299 13.148 5.264 96 HH11 ARG 12 1HH1 ARG 12 -4.593 13.426 4.033 97 HH12 ARG 12 2HH1 ARG 12 -4.517 15.092 3.731 98 HH21 ARG 12 1HH2 ARG 12 -1.168 15.477 4.850 99 HH22 ARG 12 2HH2 ARG 12 -2.518 16.280 4.208 100 H ASN 13 H ASN 13 -2.468 6.521 3.662 101 HA ASN 13 HA ASN 13 -3.362 4.759 5.760 102 HB2 ASN 13 2HB ASN 13 -5.542 4.333 4.565 103 HB3 ASN 13 1HB ASN 13 -5.386 5.913 5.317 104 HD21 ASN 13 1HD2 ASN 13 -5.346 7.712 4.041 105 HD22 ASN 13 2HD2 ASN 13 -5.775 7.722 2.383 106 H ASP 14 H ASP 14 -2.016 3.189 5.462 107 HA ASP 14 HA ASP 14 -1.210 2.244 2.886 108 HB2 ASP 14 2HB ASP 14 0.131 1.910 5.002 109 HB3 ASP 14 1HB ASP 14 -1.083 0.748 5.516 110 H LYS 15 H LYS 15 -2.560 1.299 1.622 111 HA LYS 15 HA LYS 15 -4.690 -0.365 2.768 112 HB2 LYS 15 2HB LYS 15 -4.620 1.292 0.262 113 HB3 LYS 15 1HB LYS 15 -5.873 0.113 0.615 114 HG2 LYS 15 2HG LYS 15 -5.215 2.536 2.290 115 HG3 LYS 15 1HG LYS 15 -6.564 2.406 1.164 116 HD2 LYS 15 2HD LYS 15 -6.221 0.526 3.522 117 HD3 LYS 15 1HD LYS 15 -7.072 2.049 3.630 118 HE2 LYS 15 2HE LYS 15 -8.524 0.095 3.326 119 HE3 LYS 15 1HE LYS 15 -8.752 1.316 2.073 120 HZ1 LYS 15 3HZ LYS 15 -8.811 -0.953 1.241 121 HZ2 LYS 15 1HZ LYS 15 -7.258 -1.254 1.797 122 HZ3 LYS 15 2HZ LYS 15 -7.558 -0.131 0.542 123 H CYS 16 H CYS 16 -1.855 -1.054 1.918 124 HA CYS 16 HA CYS 16 -2.239 -2.507 -0.513 125 HB2 CYS 16 2HB CYS 16 0.062 -2.664 1.438 126 HB3 CYS 16 1HB CYS 16 0.062 -3.240 -0.217 127 H CYS 17 H CYS 17 -1.961 -4.813 -0.691 128 HA CYS 17 HA CYS 17 -3.621 -6.280 1.076 129 HB2 CYS 17 2HB CYS 17 -1.797 -7.246 -1.122 130 HB3 CYS 17 1HB CYS 17 -3.032 -8.212 -0.328 131 H SER 18 H SER 18 -2.846 -8.597 1.831 132 HA SER 18 HA SER 18 -1.011 -8.312 3.867 133 HB2 SER 18 2HB SER 18 -1.276 -10.830 3.947 134 HB3 SER 18 1HB SER 18 -2.768 -9.880 3.993 135 HG SER 18 HG SER 18 -2.610 -11.763 2.539 136 H GLY 19 H GLY 19 1.159 -8.591 3.994 137 HA2 GLY 19 2HA GLY 19 3.288 -9.244 3.421 138 HA3 GLY 19 1HA GLY 19 2.617 -10.175 2.084 139 H LEU 20 H LEU 20 1.584 -6.945 2.277 140 HA LEU 20 HA LEU 20 3.531 -6.038 0.316 141 HB2 LEU 20 2HB LEU 20 1.189 -6.967 -0.428 142 HB3 LEU 20 1HB LEU 20 0.607 -5.454 0.216 143 HG LEU 20 HG LEU 20 2.109 -4.278 -1.368 144 HD11 LEU 20 1HD1 LEU 20 2.907 -5.703 -3.264 145 HD12 LEU 20 2HD1 LEU 20 2.534 -7.112 -2.237 146 HD13 LEU 20 3HD1 LEU 20 3.733 -5.932 -1.723 147 HD21 LEU 20 3HD2 LEU 20 0.133 -6.218 -2.536 148 HD22 LEU 20 1HD2 LEU 20 0.740 -4.761 -3.316 149 HD23 LEU 20 2HD2 LEU 20 -0.247 -4.633 -1.857 150 H LYS 21 H LYS 21 3.902 -3.768 0.631 151 HA LYS 21 HA LYS 21 2.296 -2.427 2.640 152 HB2 LYS 21 2HB LYS 21 4.048 -3.513 3.949 153 HB3 LYS 21 1HB LYS 21 5.287 -2.768 2.945 154 HG2 LYS 21 2HG LYS 21 4.738 -0.594 3.764 155 HG3 LYS 21 1HG LYS 21 3.325 -1.197 4.611 156 HD2 LYS 21 2HD LYS 21 4.843 -2.552 6.048 157 HD3 LYS 21 1HD LYS 21 6.216 -1.809 5.221 158 HE2 LYS 21 2HE LYS 21 5.520 0.386 5.971 159 HE3 LYS 21 1HE LYS 21 4.083 -0.297 6.729 160 HZ1 LYS 21 3HZ LYS 21 5.789 0.132 8.352 161 HZ2 LYS 21 1HZ LYS 21 6.895 -0.830 7.499 162 HZ3 LYS 21 2HZ LYS 21 5.536 -1.535 8.220 163 H CYS 22 H CYS 22 2.393 -0.235 2.580 164 HA CYS 22 HA CYS 22 2.907 0.970 0.082 165 HB2 CYS 22 2HB CYS 22 1.203 1.728 1.755 166 HB3 CYS 22 1HB CYS 22 2.514 2.254 2.799 167 H GLY 23 H GLY 23 4.733 1.928 -0.647 168 HA2 GLY 23 2HA GLY 23 7.097 1.683 0.964 169 HA3 GLY 23 1HA GLY 23 7.040 2.196 -0.713 170 H SER 24 H SER 24 8.489 3.286 1.534 171 HA SER 24 HA SER 24 7.259 5.857 1.968 172 HB2 SER 24 2HB SER 24 9.525 6.156 3.247 173 HB3 SER 24 1HB SER 24 8.285 5.099 3.920 174 HG SER 24 HG SER 24 10.791 4.488 3.056 175 H ASN 25 H ASN 25 9.929 4.421 0.235 176 HA ASN 25 HA ASN 25 11.159 6.796 -0.745 177 HB2 ASN 25 2HB ASN 25 11.076 4.033 -1.996 178 HB3 ASN 25 1HB ASN 25 12.180 5.326 -2.444 179 HD21 ASN 25 1HD2 ASN 25 13.937 5.727 -1.167 180 HD22 ASN 25 2HD2 ASN 25 14.409 4.705 0.143 181 H HIS 26 H HIS 26 8.926 4.513 -2.177 182 HA HIS 26 HA HIS 26 7.862 6.601 -3.918 183 HB2 HIS 26 2HB HIS 26 8.458 3.703 -4.502 184 HB3 HIS 26 1HB HIS 26 7.345 4.603 -5.492 185 HD1 HIS 26 1HD HIS 26 8.387 5.965 -7.363 186 HD2 HIS 26 2HD HIS 26 11.065 4.577 -4.559 187 HE1 HIS 26 1HE HIS 26 10.673 6.499 -8.304 188 H ASN 27 H ASN 27 5.730 6.816 -3.583 189 HA ASN 27 HA ASN 27 4.593 5.110 -1.598 190 HB2 ASN 27 2HB ASN 27 3.433 7.542 -2.966 191 HB3 ASN 27 1HB ASN 27 2.538 6.572 -1.809 192 HD21 ASN 27 1HD2 ASN 27 4.984 6.140 -0.106 193 HD22 ASN 27 2HD2 ASN 27 5.219 7.649 0.674 194 H TRP 28 H TRP 28 4.862 3.316 -2.942 195 HA TRP 28 HA TRP 28 2.277 2.690 -3.987 196 HB2 TRP 28 2HB TRP 28 3.250 1.322 -5.852 197 HB3 TRP 28 1HB TRP 28 3.396 3.049 -6.079 198 HD1 TRP 28 HD TRP 28 5.946 1.165 -3.924 199 HE1 TRP 28 1HE TRP 28 8.212 1.120 -5.148 200 HE3 TRP 28 3HE TRP 28 4.513 3.161 -8.396 201 HZ2 TRP 28 2HZ TRP 28 9.215 1.768 -7.564 202 HZ3 TRP 28 3HZ TRP 28 6.222 3.421 -10.148 203 HH2 TRP 28 HH TRP 28 8.535 2.749 -9.755 204 H CYS 29 H CYS 29 1.936 0.457 -4.064 205 HA CYS 29 HA CYS 29 2.772 -0.767 -1.644 206 HB2 CYS 29 2HB CYS 29 1.130 -1.687 -3.961 207 HB3 CYS 29 1HB CYS 29 1.350 -2.693 -2.555 208 H LYS 30 H LYS 30 4.698 -1.616 -1.408 209 HA LYS 30 HA LYS 30 5.908 -3.135 -3.616 210 HB2 LYS 30 2HB LYS 30 7.247 -2.026 -1.128 211 HB3 LYS 30 1HB LYS 30 8.045 -2.870 -2.440 212 HG2 LYS 30 2HG LYS 30 7.446 -0.965 -3.959 213 HG3 LYS 30 1HG LYS 30 6.756 -0.147 -2.556 214 HD2 LYS 30 2HD LYS 30 8.957 0.707 -2.907 215 HD3 LYS 30 1HD LYS 30 9.000 -0.307 -1.465 216 HE2 LYS 30 2HE LYS 30 9.918 -2.163 -2.801 217 HE3 LYS 30 1HE LYS 30 9.857 -1.143 -4.236 218 HZ1 LYS 30 3HZ LYS 30 11.448 0.369 -3.098 219 HZ2 LYS 30 1HZ LYS 30 12.049 -1.183 -3.366 220 HZ3 LYS 30 2HZ LYS 30 11.548 -0.748 -1.831 221 H LEU 31 H LEU 31 7.240 -5.056 -2.721 222 HA LEU 31 HA LEU 31 5.476 -6.709 -1.196 223 HB2 LEU 31 2HB LEU 31 8.347 -7.159 -2.031 224 HB3 LEU 31 1HB LEU 31 7.297 -8.373 -1.340 225 HG LEU 31 HG LEU 31 6.881 -7.029 -4.016 226 HD11 LEU 31 1HD1 LEU 31 8.803 -8.513 -4.031 227 HD12 LEU 31 2HD1 LEU 31 7.469 -9.203 -4.956 228 HD13 LEU 31 3HD1 LEU 31 7.827 -9.807 -3.339 229 HD21 LEU 31 3HD2 LEU 31 4.765 -7.683 -3.000 230 HD22 LEU 31 1HD2 LEU 31 5.396 -9.301 -2.690 231 HD23 LEU 31 2HD2 LEU 31 5.159 -8.749 -4.346 232 H HIS 32 H HIS 32 5.694 -7.423 0.896 233 HA HIS 32 HA HIS 32 7.232 -5.681 2.618 234 HB2 HIS 32 2HB HIS 32 4.861 -6.494 3.090 235 HB3 HIS 32 1HB HIS 32 5.570 -8.072 3.402 236 HD1 HIS 32 1HD HIS 32 6.390 -8.471 5.798 237 HD2 HIS 32 2HD HIS 32 5.684 -4.467 4.948 238 HE1 HIS 32 1HE HIS 32 6.548 -7.253 7.990 239 H LEU 33 H LEU 33 9.064 -6.564 1.394 240 HA LEU 33 HA LEU 33 10.377 -8.710 2.886 241 HB2 LEU 33 2HB LEU 33 10.469 -8.306 -0.119 242 HB3 LEU 33 1HB LEU 33 11.475 -9.428 0.767 243 HG LEU 33 HG LEU 33 8.465 -9.615 0.536 244 HD11 LEU 33 1HD1 LEU 33 10.637 -11.182 -0.848 245 HD12 LEU 33 2HD1 LEU 33 9.558 -10.008 -1.603 246 HD13 LEU 33 3HD1 LEU 33 8.907 -11.509 -0.945 247 HD21 LEU 33 3HD2 LEU 33 8.779 -11.862 1.474 248 HD22 LEU 33 1HD2 LEU 33 9.317 -10.614 2.597 249 HD23 LEU 33 2HD2 LEU 33 10.501 -11.538 1.672 Start of MODEL 19 1 H1 ASP 1 1HT ASP 1 -11.525 -4.863 -1.286 2 H2 ASP 1 2HT ASP 1 -12.206 -5.999 -2.330 3 H3 ASP 1 3HT ASP 1 -11.476 -4.596 -2.940 4 HA ASP 1 HA ASP 1 -10.077 -6.704 -1.465 5 HB2 ASP 1 2HB ASP 1 -8.983 -7.237 -3.608 6 HB3 ASP 1 1HB ASP 1 -10.724 -7.404 -3.774 7 H CYS 2 H CYS 2 -7.774 -6.358 -1.449 8 HA CYS 2 HA CYS 2 -7.279 -3.604 -0.794 9 HB2 CYS 2 2HB CYS 2 -5.039 -4.674 -0.058 10 HB3 CYS 2 1HB CYS 2 -6.500 -5.070 0.840 11 H LEU 3 H LEU 3 -5.125 -2.630 -1.417 12 HA LEU 3 HA LEU 3 -4.984 -2.464 -4.266 13 HB2 LEU 3 2HB LEU 3 -3.046 -1.409 -2.201 14 HB3 LEU 3 1HB LEU 3 -3.134 -0.931 -3.878 15 HG LEU 3 HG LEU 3 -5.298 -0.433 -1.844 16 HD11 LEU 3 1HD1 LEU 3 -4.548 1.903 -1.946 17 HD12 LEU 3 2HD1 LEU 3 -3.216 1.425 -2.998 18 HD13 LEU 3 3HD1 LEU 3 -3.279 0.841 -1.335 19 HD21 LEU 3 3HD2 LEU 3 -6.073 -0.599 -4.177 20 HD22 LEU 3 1HD2 LEU 3 -4.921 0.661 -4.618 21 HD23 LEU 3 2HD2 LEU 3 -6.248 1.028 -3.515 22 H LYS 4 H LYS 4 -3.346 -3.169 -5.588 23 HA LYS 4 HA LYS 4 -2.193 -5.654 -4.619 24 HB2 LYS 4 2HB LYS 4 -2.571 -4.682 -7.447 25 HB3 LYS 4 1HB LYS 4 -2.166 -6.323 -6.959 26 HG2 LYS 4 2HG LYS 4 -4.322 -6.517 -5.805 27 HG3 LYS 4 1HG LYS 4 -4.727 -4.875 -6.290 28 HD2 LYS 4 2HD LYS 4 -4.496 -5.639 -8.670 29 HD3 LYS 4 1HD LYS 4 -4.371 -7.289 -8.063 30 HE2 LYS 4 2HE LYS 4 -6.693 -5.388 -7.684 31 HE3 LYS 4 1HE LYS 4 -6.651 -6.812 -8.715 32 HZ1 LYS 4 3HZ LYS 4 -7.798 -6.998 -6.498 33 HZ2 LYS 4 1HZ LYS 4 -6.308 -6.970 -5.768 34 HZ3 LYS 4 2HZ LYS 4 -6.699 -8.239 -6.810 35 H PHE 5 H PHE 5 -0.168 -6.219 -6.140 36 HA PHE 5 HA PHE 5 1.926 -4.727 -5.055 37 HB2 PHE 5 2HB PHE 5 2.143 -7.095 -5.548 38 HB3 PHE 5 1HB PHE 5 1.912 -6.788 -7.262 39 HD1 PHE 5 1HD PHE 5 4.122 -5.662 -4.487 40 HD2 PHE 5 2HD PHE 5 3.785 -6.783 -8.569 41 HE1 PHE 5 1HE PHE 5 6.558 -5.425 -4.749 42 HE2 PHE 5 2HE PHE 5 6.210 -6.551 -8.843 43 HZ PHE 5 HZ PHE 5 7.603 -5.876 -6.931 44 H GLY 6 H GLY 6 2.702 -2.839 -5.652 45 HA2 GLY 6 2HA GLY 6 3.733 -1.370 -7.108 46 HA3 GLY 6 1HA GLY 6 3.113 -2.303 -8.465 47 H TRP 7 H TRP 7 0.883 -1.469 -5.992 48 HA TRP 7 HA TRP 7 -0.337 0.375 -7.857 49 HB2 TRP 7 2HB TRP 7 -1.386 -1.135 -5.488 50 HB3 TRP 7 1HB TRP 7 -2.272 0.242 -6.137 51 HD1 TRP 7 HD TRP 7 -0.460 -2.346 -8.368 52 HE1 TRP 7 1HE TRP 7 -2.221 -3.516 -9.826 53 HE3 TRP 7 3HE TRP 7 -4.662 -0.383 -6.269 54 HZ2 TRP 7 2HZ TRP 7 -5.025 -3.593 -10.056 55 HZ3 TRP 7 3HZ TRP 7 -6.833 -1.039 -7.153 56 HH2 TRP 7 HH TRP 7 -7.027 -2.620 -9.009 57 H LYS 8 H LYS 8 -1.294 2.310 -7.105 58 HA LYS 8 HA LYS 8 0.583 3.968 -5.749 59 HB2 LYS 8 2HB LYS 8 -0.814 4.765 -7.622 60 HB3 LYS 8 1HB LYS 8 -2.251 4.484 -6.658 61 HG2 LYS 8 2HG LYS 8 -1.754 6.848 -6.729 62 HG3 LYS 8 1HG LYS 8 -1.536 6.236 -5.092 63 HD2 LYS 8 2HD LYS 8 0.260 7.759 -5.649 64 HD3 LYS 8 1HD LYS 8 0.900 6.127 -5.488 65 HE2 LYS 8 2HE LYS 8 0.907 5.892 -7.925 66 HE3 LYS 8 1HE LYS 8 0.237 7.512 -8.090 67 HZ1 LYS 8 3HZ LYS 8 2.581 7.535 -8.449 68 HZ2 LYS 8 1HZ LYS 8 2.894 6.800 -6.971 69 HZ3 LYS 8 2HZ LYS 8 2.268 8.367 -7.015 70 H CYS 9 H CYS 9 0.564 4.632 -3.681 71 HA CYS 9 HA CYS 9 -1.624 3.650 -1.981 72 HB2 CYS 9 2HB CYS 9 0.112 3.175 -0.292 73 HB3 CYS 9 1HB CYS 9 0.249 2.180 -1.742 74 H ASN 10 H ASN 10 -1.330 4.616 0.278 75 HA ASN 10 HA ASN 10 -0.453 7.403 0.229 76 HB2 ASN 10 2HB ASN 10 -3.033 6.315 1.416 77 HB3 ASN 10 1HB ASN 10 -2.381 7.898 1.800 78 HD21 ASN 10 1HD2 ASN 10 -4.929 7.202 0.607 79 HD22 ASN 10 2HD2 ASN 10 -4.981 7.976 -0.926 80 HA PRO 11 HA PRO 11 1.724 5.517 3.663 81 HB2 PRO 11 2HB PRO 11 2.935 7.826 4.561 82 HB3 PRO 11 1HB PRO 11 3.565 6.810 3.265 83 HG2 PRO 11 2HG PRO 11 2.050 9.365 3.102 84 HG3 PRO 11 1HG PRO 11 3.355 8.760 2.076 85 HD2 PRO 11 2HD PRO 11 0.736 8.726 1.349 86 HD3 PRO 11 1HD PRO 11 1.912 7.546 0.748 87 H ARG 12 H ARG 12 -0.508 8.140 3.826 88 HA ARG 12 HA ARG 12 -0.642 8.260 6.672 89 HB2 ARG 12 2HB ARG 12 -2.476 9.334 4.545 90 HB3 ARG 12 1HB ARG 12 -2.789 9.525 6.257 91 HG2 ARG 12 2HG ARG 12 -1.783 11.556 5.600 92 HG3 ARG 12 1HG ARG 12 -0.492 10.617 6.361 93 HD2 ARG 12 2HD ARG 12 0.244 9.898 4.119 94 HD3 ARG 12 1HD ARG 12 -0.959 10.976 3.415 95 HE ARG 12 HE ARG 12 0.622 12.412 5.208 96 HH11 ARG 12 1HH1 ARG 12 0.733 11.057 1.935 97 HH12 ARG 12 2HH1 ARG 12 2.108 11.926 1.482 98 HH21 ARG 12 1HH2 ARG 12 2.465 13.607 4.579 99 HH22 ARG 12 2HH2 ARG 12 3.136 13.412 3.014 100 H ASN 13 H ASN 13 -2.208 6.426 4.194 101 HA ASN 13 HA ASN 13 -3.370 4.726 6.190 102 HB2 ASN 13 2HB ASN 13 -5.117 6.495 5.872 103 HB3 ASN 13 1HB ASN 13 -5.205 6.044 4.172 104 HD21 ASN 13 1HD2 ASN 13 -6.264 4.152 3.609 105 HD22 ASN 13 2HD2 ASN 13 -7.190 3.244 4.745 106 H ASP 14 H ASP 14 -2.473 2.963 5.493 107 HA ASP 14 HA ASP 14 -1.908 2.454 2.715 108 HB2 ASP 14 2HB ASP 14 -0.407 1.866 4.644 109 HB3 ASP 14 1HB ASP 14 -1.579 0.643 5.105 110 H LYS 15 H LYS 15 -3.061 1.089 1.403 111 HA LYS 15 HA LYS 15 -5.256 -0.464 2.623 112 HB2 LYS 15 2HB LYS 15 -5.332 1.094 0.036 113 HB3 LYS 15 1HB LYS 15 -6.588 -0.017 0.548 114 HG2 LYS 15 2HG LYS 15 -5.760 2.497 1.993 115 HG3 LYS 15 1HG LYS 15 -7.175 2.322 0.959 116 HD2 LYS 15 2HD LYS 15 -6.688 0.719 3.476 117 HD3 LYS 15 1HD LYS 15 -7.662 2.176 3.388 118 HE2 LYS 15 2HE LYS 15 -9.199 1.102 1.854 119 HE3 LYS 15 1HE LYS 15 -8.201 -0.349 1.822 120 HZ1 LYS 15 3HZ LYS 15 -8.620 -0.669 4.146 121 HZ2 LYS 15 1HZ LYS 15 -10.083 -0.575 3.323 122 HZ3 LYS 15 2HZ LYS 15 -9.545 0.736 4.240 123 H CYS 16 H CYS 16 -2.459 -1.089 1.655 124 HA CYS 16 HA CYS 16 -3.061 -2.762 -0.601 125 HB2 CYS 16 2HB CYS 16 -0.474 -2.070 0.753 126 HB3 CYS 16 1HB CYS 16 -0.571 -3.243 -0.545 127 H CYS 17 H CYS 17 -2.304 -4.906 -0.690 128 HA CYS 17 HA CYS 17 -3.661 -6.479 1.205 129 HB2 CYS 17 2HB CYS 17 -1.792 -7.256 -1.001 130 HB3 CYS 17 1HB CYS 17 -2.828 -8.384 -0.119 131 H SER 18 H SER 18 -2.704 -8.549 2.175 132 HA SER 18 HA SER 18 -0.841 -7.830 4.138 133 HB2 SER 18 2HB SER 18 -1.839 -10.566 3.329 134 HB3 SER 18 1HB SER 18 -1.117 -10.132 4.883 135 HG SER 18 HG SER 18 -2.847 -8.902 5.366 136 H GLY 19 H GLY 19 1.300 -7.909 4.102 137 HA2 GLY 19 2HA GLY 19 3.420 -8.822 3.612 138 HA3 GLY 19 1HA GLY 19 2.712 -9.686 2.247 139 H LEU 20 H LEU 20 1.363 -6.772 2.049 140 HA LEU 20 HA LEU 20 3.441 -5.648 0.347 141 HB2 LEU 20 2HB LEU 20 1.392 -6.719 -0.705 142 HB3 LEU 20 1HB LEU 20 0.464 -5.474 0.106 143 HG LEU 20 HG LEU 20 1.702 -3.778 -1.102 144 HD11 LEU 20 1HD1 LEU 20 3.060 -4.492 -3.030 145 HD12 LEU 20 2HD1 LEU 20 2.862 -6.173 -2.472 146 HD13 LEU 20 3HD1 LEU 20 3.720 -5.010 -1.474 147 HD21 LEU 20 3HD2 LEU 20 0.621 -4.154 -3.221 148 HD22 LEU 20 1HD2 LEU 20 -0.450 -4.660 -1.919 149 HD23 LEU 20 2HD2 LEU 20 0.442 -5.862 -2.850 150 H LYS 21 H LYS 21 3.742 -3.430 0.647 151 HA LYS 21 HA LYS 21 1.863 -1.989 2.286 152 HB2 LYS 21 2HB LYS 21 3.418 -3.093 3.902 153 HB3 LYS 21 1HB LYS 21 4.759 -2.275 3.121 154 HG2 LYS 21 2HG LYS 21 3.880 -0.128 3.817 155 HG3 LYS 21 1HG LYS 21 2.481 -0.921 4.544 156 HD2 LYS 21 2HD LYS 21 3.955 -2.116 6.083 157 HD3 LYS 21 1HD LYS 21 5.357 -1.347 5.347 158 HE2 LYS 21 2HE LYS 21 4.741 -0.254 7.431 159 HE3 LYS 21 1HE LYS 21 4.549 0.841 6.064 160 HZ1 LYS 21 3HZ LYS 21 2.201 0.508 6.125 161 HZ2 LYS 21 1HZ LYS 21 2.716 0.947 7.653 162 HZ3 LYS 21 2HZ LYS 21 2.310 -0.658 7.354 163 H CYS 22 H CYS 22 2.138 0.238 2.084 164 HA CYS 22 HA CYS 22 3.139 1.232 -0.340 165 HB2 CYS 22 2HB CYS 22 1.396 2.315 1.120 166 HB3 CYS 22 1HB CYS 22 2.671 2.732 2.251 167 H GLY 23 H GLY 23 5.199 1.563 -0.937 168 HA2 GLY 23 2HA GLY 23 7.320 0.971 0.871 169 HA3 GLY 23 1HA GLY 23 7.511 1.467 -0.793 170 H SER 24 H SER 24 8.869 2.205 1.673 171 HA SER 24 HA SER 24 8.210 4.945 2.157 172 HB2 SER 24 2HB SER 24 10.397 4.757 3.513 173 HB3 SER 24 1HB SER 24 9.017 3.796 4.045 174 HG SER 24 HG SER 24 10.313 2.215 3.905 175 H ASN 25 H ASN 25 9.234 6.713 1.372 176 HA ASN 25 HA ASN 25 10.416 8.063 0.010 177 HB2 ASN 25 2HB ASN 25 12.352 5.734 -0.194 178 HB3 ASN 25 1HB ASN 25 12.636 7.305 -0.930 179 HD21 ASN 25 1HD2 ASN 25 13.142 9.030 0.378 180 HD22 ASN 25 2HD2 ASN 25 13.606 8.845 2.026 181 H HIS 26 H HIS 26 8.427 6.090 -0.815 182 HA HIS 26 HA HIS 26 8.642 6.429 -3.669 183 HB2 HIS 26 2HB HIS 26 8.187 3.722 -2.328 184 HB3 HIS 26 1HB HIS 26 7.887 4.053 -4.026 185 HD1 HIS 26 1HD HIS 26 10.685 3.455 -1.567 186 HD2 HIS 26 2HD HIS 26 10.085 4.230 -5.583 187 HE1 HIS 26 1HE HIS 26 12.887 2.990 -2.676 188 H ASN 27 H ASN 27 6.378 5.710 -4.538 189 HA ASN 27 HA ASN 27 4.377 6.367 -2.488 190 HB2 ASN 27 2HB ASN 27 5.021 8.336 -3.966 191 HB3 ASN 27 1HB ASN 27 4.324 7.452 -5.312 192 HD21 ASN 27 1HD2 ASN 27 3.022 7.523 -2.011 193 HD22 ASN 27 2HD2 ASN 27 1.587 8.358 -2.443 194 H TRP 28 H TRP 28 5.262 3.887 -3.646 195 HA TRP 28 HA TRP 28 2.690 2.959 -4.615 196 HB2 TRP 28 2HB TRP 28 3.884 1.358 -6.171 197 HB3 TRP 28 1HB TRP 28 3.910 3.039 -6.639 198 HD1 TRP 28 HD TRP 28 6.399 1.388 -4.157 199 HE1 TRP 28 1HE TRP 28 8.775 1.584 -5.153 200 HE3 TRP 28 3HE TRP 28 5.217 3.401 -8.669 201 HZ2 TRP 28 2HZ TRP 28 9.953 2.435 -7.478 202 HZ3 TRP 28 3HZ TRP 28 7.048 3.884 -10.261 203 HH2 TRP 28 HH TRP 28 9.371 3.413 -9.677 204 H CYS 29 H CYS 29 2.415 0.714 -4.318 205 HA CYS 29 HA CYS 29 3.574 -0.156 -1.820 206 HB2 CYS 29 2HB CYS 29 1.296 -1.118 -3.457 207 HB3 CYS 29 1HB CYS 29 1.943 -2.139 -2.200 208 H LYS 30 H LYS 30 5.230 -1.294 -1.622 209 HA LYS 30 HA LYS 30 5.832 -3.320 -3.655 210 HB2 LYS 30 2HB LYS 30 7.780 -1.716 -1.980 211 HB3 LYS 30 1HB LYS 30 8.241 -3.143 -2.894 212 HG2 LYS 30 2HG LYS 30 7.195 -0.544 -4.000 213 HG3 LYS 30 1HG LYS 30 8.843 -1.151 -4.136 214 HD2 LYS 30 2HD LYS 30 7.897 -3.131 -5.383 215 HD3 LYS 30 1HD LYS 30 6.346 -2.297 -5.388 216 HE2 LYS 30 2HE LYS 30 7.432 -1.881 -7.484 217 HE3 LYS 30 1HE LYS 30 7.427 -0.393 -6.545 218 HZ1 LYS 30 3HZ LYS 30 9.583 -0.768 -7.584 219 HZ2 LYS 30 1HZ LYS 30 9.734 -2.245 -6.799 220 HZ3 LYS 30 2HZ LYS 30 9.737 -0.846 -5.910 221 H LEU 31 H LEU 31 7.165 -5.156 -2.684 222 HA LEU 31 HA LEU 31 5.531 -6.364 -0.726 223 HB2 LEU 31 2HB LEU 31 8.281 -7.154 -1.681 224 HB3 LEU 31 1HB LEU 31 7.182 -8.179 -0.783 225 HG LEU 31 HG LEU 31 6.706 -7.126 -3.573 226 HD11 LEU 31 1HD1 LEU 31 7.438 -9.868 -2.603 227 HD12 LEU 31 2HD1 LEU 31 8.486 -8.766 -3.495 228 HD13 LEU 31 3HD1 LEU 31 7.043 -9.431 -4.264 229 HD21 LEU 31 3HD2 LEU 31 4.825 -8.691 -3.596 230 HD22 LEU 31 1HD2 LEU 31 4.624 -7.456 -2.354 231 HD23 LEU 31 2HD2 LEU 31 5.138 -9.083 -1.906 232 H HIS 32 H HIS 32 5.750 -6.529 1.438 233 HA HIS 32 HA HIS 32 7.950 -4.999 2.616 234 HB2 HIS 32 2HB HIS 32 5.522 -4.395 3.171 235 HB3 HIS 32 1HB HIS 32 5.413 -5.945 3.991 236 HD1 HIS 32 1HD HIS 32 6.409 -6.060 6.393 237 HD2 HIS 32 2HD HIS 32 7.227 -2.502 4.413 238 HE1 HIS 32 1HE HIS 32 7.392 -4.512 8.112 239 H LEU 33 H LEU 33 9.210 -5.989 4.201 240 HA LEU 33 HA LEU 33 8.979 -8.901 4.218 241 HB2 LEU 33 2HB LEU 33 10.997 -8.008 3.118 242 HB3 LEU 33 1HB LEU 33 11.431 -7.184 4.598 243 HG LEU 33 HG LEU 33 11.762 -9.346 5.717 244 HD11 LEU 33 1HD1 LEU 33 11.757 -11.405 4.390 245 HD12 LEU 33 2HD1 LEU 33 11.081 -10.515 3.025 246 HD13 LEU 33 3HD1 LEU 33 10.153 -10.690 4.514 247 HD21 LEU 33 3HD2 LEU 33 13.630 -8.267 4.581 248 HD22 LEU 33 1HD2 LEU 33 13.210 -9.103 3.089 249 HD23 LEU 33 2HD2 LEU 33 13.758 -10.026 4.488 Start of MODEL 20 1 H1 ASP 1 1HT ASP 1 -11.369 -2.885 -1.435 2 H2 ASP 1 2HT ASP 1 -10.993 -3.573 0.046 3 H3 ASP 1 3HT ASP 1 -12.208 -4.273 -0.908 4 HA ASP 1 HA ASP 1 -10.197 -5.531 -0.993 5 HB2 ASP 1 2HB ASP 1 -9.760 -5.475 -3.445 6 HB3 ASP 1 1HB ASP 1 -11.478 -5.478 -3.076 7 H CYS 2 H CYS 2 -8.039 -5.655 -1.124 8 HA CYS 2 HA CYS 2 -6.679 -3.329 -0.253 9 HB2 CYS 2 2HB CYS 2 -4.742 -4.878 -0.115 10 HB3 CYS 2 1HB CYS 2 -6.168 -5.427 0.757 11 H LEU 3 H LEU 3 -4.835 -2.413 -1.168 12 HA LEU 3 HA LEU 3 -4.923 -2.153 -4.015 13 HB2 LEU 3 2HB LEU 3 -2.874 -1.102 -2.070 14 HB3 LEU 3 1HB LEU 3 -3.103 -0.573 -3.720 15 HG LEU 3 HG LEU 3 -5.085 -0.216 -1.496 16 HD11 LEU 3 1HD1 LEU 3 -4.431 2.162 -1.605 17 HD12 LEU 3 2HD1 LEU 3 -3.191 1.754 -2.792 18 HD13 LEU 3 3HD1 LEU 3 -3.079 1.127 -1.146 19 HD21 LEU 3 3HD2 LEU 3 -5.028 0.933 -4.275 20 HD22 LEU 3 1HD2 LEU 3 -6.247 1.256 -3.048 21 HD23 LEU 3 2HD2 LEU 3 -6.091 -0.366 -3.738 22 H LYS 4 H LYS 4 -3.212 -2.705 -5.400 23 HA LYS 4 HA LYS 4 -2.004 -5.235 -4.585 24 HB2 LYS 4 2HB LYS 4 -2.582 -4.106 -7.308 25 HB3 LYS 4 1HB LYS 4 -1.936 -5.707 -7.007 26 HG2 LYS 4 2HG LYS 4 -3.983 -6.279 -5.771 27 HG3 LYS 4 1HG LYS 4 -4.622 -4.675 -6.131 28 HD2 LYS 4 2HD LYS 4 -4.439 -5.175 -8.534 29 HD3 LYS 4 1HD LYS 4 -3.868 -6.796 -8.120 30 HE2 LYS 4 2HE LYS 4 -5.985 -7.188 -6.909 31 HE3 LYS 4 1HE LYS 4 -6.527 -5.598 -7.429 32 HZ1 LYS 4 3HZ LYS 4 -5.784 -7.757 -9.318 33 HZ2 LYS 4 1HZ LYS 4 -6.497 -6.287 -9.694 34 HZ3 LYS 4 2HZ LYS 4 -7.352 -7.452 -8.825 35 H PHE 5 H PHE 5 -0.051 -5.665 -6.323 36 HA PHE 5 HA PHE 5 2.104 -4.175 -5.292 37 HB2 PHE 5 2HB PHE 5 2.295 -6.534 -6.034 38 HB3 PHE 5 1HB PHE 5 2.057 -6.012 -7.696 39 HD1 PHE 5 1HD PHE 5 4.346 -5.986 -4.847 40 HD2 PHE 5 2HD PHE 5 3.848 -4.986 -8.944 41 HE1 PHE 5 1HE PHE 5 6.758 -5.640 -5.047 42 HE2 PHE 5 2HE PHE 5 6.275 -4.636 -9.161 43 HZ PHE 5 HZ PHE 5 7.738 -4.961 -7.207 44 H GLY 6 H GLY 6 3.021 -2.413 -5.954 45 HA2 GLY 6 2HA GLY 6 3.786 -0.796 -7.421 46 HA3 GLY 6 1HA GLY 6 2.883 -1.575 -8.714 47 H TRP 7 H TRP 7 0.723 -1.322 -6.256 48 HA TRP 7 HA TRP 7 -0.512 0.819 -7.668 49 HB2 TRP 7 2HB TRP 7 -1.459 -0.920 -5.402 50 HB3 TRP 7 1HB TRP 7 -2.374 0.499 -5.900 51 HD1 TRP 7 HD TRP 7 -0.665 -1.840 -8.447 52 HE1 TRP 7 1HE TRP 7 -2.477 -2.968 -9.878 53 HE3 TRP 7 3HE TRP 7 -4.809 -0.197 -5.948 54 HZ2 TRP 7 2HZ TRP 7 -5.295 -3.141 -9.939 55 HZ3 TRP 7 3HZ TRP 7 -7.026 -0.892 -6.755 56 HH2 TRP 7 HH TRP 7 -7.263 -2.333 -8.709 57 H LYS 8 H LYS 8 -1.101 2.759 -6.897 58 HA LYS 8 HA LYS 8 0.918 3.841 -5.175 59 HB2 LYS 8 2HB LYS 8 -1.388 5.278 -6.495 60 HB3 LYS 8 1HB LYS 8 0.070 6.006 -5.827 61 HG2 LYS 8 2HG LYS 8 -0.092 4.194 -8.231 62 HG3 LYS 8 1HG LYS 8 0.234 5.927 -8.247 63 HD2 LYS 8 2HD LYS 8 2.346 5.559 -7.093 64 HD3 LYS 8 1HD LYS 8 1.987 3.844 -6.927 65 HE2 LYS 8 2HE LYS 8 2.388 5.307 -9.543 66 HE3 LYS 8 1HE LYS 8 3.570 4.273 -8.746 67 HZ1 LYS 8 3HZ LYS 8 2.431 3.099 -10.509 68 HZ2 LYS 8 1HZ LYS 8 0.932 3.384 -9.815 69 HZ3 LYS 8 2HZ LYS 8 2.042 2.379 -9.045 70 H CYS 9 H CYS 9 0.764 4.026 -3.171 71 HA CYS 9 HA CYS 9 -1.633 3.175 -1.819 72 HB2 CYS 9 2HB CYS 9 -0.271 3.104 0.127 73 HB3 CYS 9 1HB CYS 9 0.702 2.493 -1.213 74 H ASN 10 H ASN 10 -2.306 4.386 0.153 75 HA ASN 10 HA ASN 10 -2.428 7.245 -0.320 76 HB2 ASN 10 2HB ASN 10 -3.752 5.523 1.818 77 HB3 ASN 10 1HB ASN 10 -4.112 7.212 1.498 78 HD21 ASN 10 1HD2 ASN 10 -5.817 4.846 1.478 79 HD22 ASN 10 2HD2 ASN 10 -6.530 4.776 -0.086 80 HA PRO 11 HA PRO 11 1.303 7.283 2.158 81 HB2 PRO 11 2HB PRO 11 1.179 10.006 2.767 82 HB3 PRO 11 1HB PRO 11 1.990 9.292 1.372 83 HG2 PRO 11 2HG PRO 11 -0.690 10.563 1.563 84 HG3 PRO 11 1HG PRO 11 0.468 10.584 0.224 85 HD2 PRO 11 2HD PRO 11 -1.739 9.066 0.175 86 HD3 PRO 11 1HD PRO 11 -0.227 8.509 -0.563 87 H ARG 12 H ARG 12 -1.691 8.673 3.308 88 HA ARG 12 HA ARG 12 -0.752 8.697 6.049 89 HB2 ARG 12 2HB ARG 12 -3.460 9.264 4.883 90 HB3 ARG 12 1HB ARG 12 -3.048 9.422 6.576 91 HG2 ARG 12 2HG ARG 12 -1.815 10.982 4.297 92 HG3 ARG 12 1HG ARG 12 -3.029 11.594 5.418 93 HD2 ARG 12 2HD ARG 12 -1.473 11.355 7.270 94 HD3 ARG 12 1HD ARG 12 -0.267 10.644 6.195 95 HE ARG 12 HE ARG 12 -1.072 13.152 5.237 96 HH11 ARG 12 1HH1 ARG 12 0.794 11.787 7.902 97 HH12 ARG 12 2HH1 ARG 12 1.895 13.077 8.003 98 HH21 ARG 12 1HH2 ARG 12 0.400 14.910 5.324 99 HH22 ARG 12 2HH2 ARG 12 1.665 14.942 6.472 100 H ASN 13 H ASN 13 -2.691 6.645 4.028 101 HA ASN 13 HA ASN 13 -2.960 4.752 6.265 102 HB2 ASN 13 2HB ASN 13 -5.065 6.025 6.135 103 HB3 ASN 13 1HB ASN 13 -5.223 5.591 4.441 104 HD21 ASN 13 1HD2 ASN 13 -7.171 4.612 4.764 105 HD22 ASN 13 2HD2 ASN 13 -7.378 3.109 5.583 106 H ASP 14 H ASP 14 -1.796 3.076 5.535 107 HA ASP 14 HA ASP 14 -1.481 2.462 2.747 108 HB2 ASP 14 2HB ASP 14 0.217 1.989 4.596 109 HB3 ASP 14 1HB ASP 14 -0.838 0.680 5.106 110 H LYS 15 H LYS 15 -2.654 1.029 1.564 111 HA LYS 15 HA LYS 15 -4.732 -0.489 2.977 112 HB2 LYS 15 2HB LYS 15 -5.036 1.095 0.428 113 HB3 LYS 15 1HB LYS 15 -6.238 -0.038 1.013 114 HG2 LYS 15 2HG LYS 15 -5.328 2.485 2.402 115 HG3 LYS 15 1HG LYS 15 -6.850 2.260 1.542 116 HD2 LYS 15 2HD LYS 15 -5.985 0.767 4.031 117 HD3 LYS 15 1HD LYS 15 -7.139 2.089 3.969 118 HE2 LYS 15 2HE LYS 15 -8.636 0.770 2.601 119 HE3 LYS 15 1HE LYS 15 -7.476 -0.561 2.560 120 HZ1 LYS 15 3HZ LYS 15 -7.699 -0.709 4.970 121 HZ2 LYS 15 1HZ LYS 15 -9.160 -0.984 4.184 122 HZ3 LYS 15 2HZ LYS 15 -8.894 0.489 4.937 123 H CYS 16 H CYS 16 -2.042 -1.188 1.777 124 HA CYS 16 HA CYS 16 -2.911 -2.762 -0.436 125 HB2 CYS 16 2HB CYS 16 -0.178 -2.310 0.702 126 HB3 CYS 16 1HB CYS 16 -0.475 -3.439 -0.615 127 H CYS 17 H CYS 17 -2.251 -4.958 -0.728 128 HA CYS 17 HA CYS 17 -3.691 -6.601 1.000 129 HB2 CYS 17 2HB CYS 17 -1.678 -7.385 -1.107 130 HB3 CYS 17 1HB CYS 17 -2.922 -8.427 -0.431 131 H SER 18 H SER 18 -2.938 -8.588 2.092 132 HA SER 18 HA SER 18 -1.133 -8.074 4.114 133 HB2 SER 18 2HB SER 18 -2.107 -10.720 3.063 134 HB3 SER 18 1HB SER 18 -1.475 -10.412 4.690 135 HG SER 18 HG SER 18 -3.195 -8.886 4.918 136 H GLY 19 H GLY 19 0.992 -8.085 4.193 137 HA2 GLY 19 2HA GLY 19 3.141 -9.001 3.903 138 HA3 GLY 19 1HA GLY 19 2.542 -9.905 2.514 139 H LEU 20 H LEU 20 1.228 -7.099 1.921 140 HA LEU 20 HA LEU 20 3.487 -6.095 0.373 141 HB2 LEU 20 2HB LEU 20 1.392 -7.123 -0.705 142 HB3 LEU 20 1HB LEU 20 0.550 -5.716 -0.090 143 HG LEU 20 HG LEU 20 2.104 -4.296 -1.401 144 HD11 LEU 20 1HD1 LEU 20 3.351 -5.387 -3.190 145 HD12 LEU 20 2HD1 LEU 20 2.853 -6.965 -2.542 146 HD13 LEU 20 3HD1 LEU 20 3.892 -5.913 -1.590 147 HD21 LEU 20 3HD2 LEU 20 -0.148 -4.845 -2.171 148 HD22 LEU 20 1HD2 LEU 20 0.470 -6.326 -2.902 149 HD23 LEU 20 2HD2 LEU 20 0.990 -4.761 -3.517 150 H LYS 21 H LYS 21 3.894 -3.870 0.626 151 HA LYS 21 HA LYS 21 1.929 -2.254 1.995 152 HB2 LYS 21 2HB LYS 21 4.024 -3.396 3.444 153 HB3 LYS 21 1HB LYS 21 4.513 -1.732 3.142 154 HG2 LYS 21 2HG LYS 21 2.137 -1.157 4.010 155 HG3 LYS 21 1HG LYS 21 2.154 -2.800 4.650 156 HD2 LYS 21 2HD LYS 21 2.893 -1.386 6.400 157 HD3 LYS 21 1HD LYS 21 4.325 -2.208 5.783 158 HE2 LYS 21 2HE LYS 21 4.790 0.161 6.154 159 HE3 LYS 21 1HE LYS 21 4.895 -0.219 4.440 160 HZ1 LYS 21 3HZ LYS 21 3.698 1.857 4.815 161 HZ2 LYS 21 1HZ LYS 21 2.603 1.074 5.814 162 HZ3 LYS 21 2HZ LYS 21 2.624 0.731 4.166 163 H CYS 22 H CYS 22 2.447 -0.022 1.841 164 HA CYS 22 HA CYS 22 3.726 0.679 -0.585 165 HB2 CYS 22 2HB CYS 22 1.793 1.864 0.490 166 HB3 CYS 22 1HB CYS 22 2.911 2.438 1.716 167 H GLY 23 H GLY 23 5.750 1.247 -0.897 168 HA2 GLY 23 2HA GLY 23 7.656 0.732 1.147 169 HA3 GLY 23 1HA GLY 23 8.041 1.339 -0.453 170 H SER 24 H SER 24 9.025 2.084 2.175 171 HA SER 24 HA SER 24 7.984 4.658 2.772 172 HB2 SER 24 2HB SER 24 10.063 4.799 4.201 173 HB3 SER 24 1HB SER 24 9.010 3.428 4.560 174 HG SER 24 HG SER 24 10.707 2.291 4.268 175 H ASN 25 H ASN 25 8.764 6.625 2.207 176 HA ASN 25 HA ASN 25 9.704 8.263 1.013 177 HB2 ASN 25 2HB ASN 25 11.895 7.277 1.872 178 HB3 ASN 25 1HB ASN 25 11.994 6.362 0.374 179 HD21 ASN 25 1HD2 ASN 25 13.937 7.382 -0.192 180 HD22 ASN 25 2HD2 ASN 25 13.950 9.025 -0.748 181 H HIS 26 H HIS 26 8.156 5.940 -0.094 182 HA HIS 26 HA HIS 26 8.350 6.664 -2.923 183 HB2 HIS 26 2HB HIS 26 8.023 3.864 -1.775 184 HB3 HIS 26 1HB HIS 26 7.688 4.276 -3.446 185 HD1 HIS 26 1HD HIS 26 10.602 4.079 -1.009 186 HD2 HIS 26 2HD HIS 26 9.802 4.291 -5.065 187 HE1 HIS 26 1HE HIS 26 12.792 3.674 -2.160 188 H ASN 27 H ASN 27 6.150 5.448 -3.870 189 HA ASN 27 HA ASN 27 4.015 5.883 -1.955 190 HB2 ASN 27 2HB ASN 27 4.379 8.002 -3.262 191 HB3 ASN 27 1HB ASN 27 4.046 7.106 -4.732 192 HD21 ASN 27 1HD2 ASN 27 2.318 6.737 -1.670 193 HD22 ASN 27 2HD2 ASN 27 0.808 7.309 -2.268 194 H TRP 28 H TRP 28 5.378 3.703 -3.475 195 HA TRP 28 HA TRP 28 2.913 2.552 -4.548 196 HB2 TRP 28 2HB TRP 28 4.198 1.104 -6.082 197 HB3 TRP 28 1HB TRP 28 4.345 2.806 -6.455 198 HD1 TRP 28 HD TRP 28 6.598 1.251 -3.741 199 HE1 TRP 28 1HE TRP 28 9.016 1.150 -4.631 200 HE3 TRP 28 3HE TRP 28 5.777 2.660 -8.590 201 HZ2 TRP 28 2HZ TRP 28 10.348 1.534 -6.967 202 HZ3 TRP 28 3HZ TRP 28 7.712 2.759 -10.111 203 HH2 TRP 28 HH TRP 28 9.961 2.216 -9.325 204 H CYS 29 H CYS 29 2.728 0.293 -4.477 205 HA CYS 29 HA CYS 29 3.697 -0.691 -1.937 206 HB2 CYS 29 2HB CYS 29 1.370 -1.213 -3.625 207 HB3 CYS 29 1HB CYS 29 1.798 -2.479 -2.510 208 H LYS 30 H LYS 30 5.262 -1.924 -1.739 209 HA LYS 30 HA LYS 30 5.837 -3.981 -3.754 210 HB2 LYS 30 2HB LYS 30 7.779 -2.279 -2.183 211 HB3 LYS 30 1HB LYS 30 8.259 -3.738 -3.023 212 HG2 LYS 30 2HG LYS 30 7.565 -2.703 -5.163 213 HG3 LYS 30 1HG LYS 30 7.110 -1.248 -4.280 214 HD2 LYS 30 2HD LYS 30 9.283 -0.955 -5.282 215 HD3 LYS 30 1HD LYS 30 9.419 -0.990 -3.530 216 HE2 LYS 30 2HE LYS 30 11.218 -2.226 -4.616 217 HE3 LYS 30 1HE LYS 30 10.233 -3.298 -3.625 218 HZ1 LYS 30 3HZ LYS 30 9.162 -4.088 -5.639 219 HZ2 LYS 30 1HZ LYS 30 10.829 -4.246 -5.766 220 HZ3 LYS 30 2HZ LYS 30 10.057 -3.006 -6.586 221 H LEU 31 H LEU 31 7.353 -5.705 -2.616 222 HA LEU 31 HA LEU 31 5.795 -6.833 -0.570 223 HB2 LEU 31 2HB LEU 31 8.507 -7.560 -1.631 224 HB3 LEU 31 1HB LEU 31 7.818 -8.419 -0.272 225 HG LEU 31 HG LEU 31 7.455 -9.735 -2.203 226 HD11 LEU 31 1HD1 LEU 31 5.606 -9.715 -0.677 227 HD12 LEU 31 2HD1 LEU 31 5.048 -9.922 -2.335 228 HD13 LEU 31 3HD1 LEU 31 4.870 -8.364 -1.541 229 HD21 LEU 31 3HD2 LEU 31 6.248 -8.951 -4.194 230 HD22 LEU 31 1HD2 LEU 31 7.757 -8.073 -3.949 231 HD23 LEU 31 2HD2 LEU 31 6.219 -7.320 -3.523 232 H HIS 32 H HIS 32 5.998 -7.064 1.562 233 HA HIS 32 HA HIS 32 7.873 -5.211 2.836 234 HB2 HIS 32 2HB HIS 32 5.470 -4.607 2.944 235 HB3 HIS 32 1HB HIS 32 5.145 -6.112 3.787 236 HD1 HIS 32 1HD HIS 32 4.965 -5.771 6.272 237 HD2 HIS 32 2HD HIS 32 7.547 -3.052 4.490 238 HE1 HIS 32 1HE HIS 32 5.723 -4.218 8.106 239 H LEU 33 H LEU 33 8.978 -5.938 4.593 240 HA LEU 33 HA LEU 33 8.662 -8.741 5.360 241 HB2 LEU 33 2HB LEU 33 11.253 -7.205 5.022 242 HB3 LEU 33 1HB LEU 33 11.119 -8.832 5.648 243 HG LEU 33 HG LEU 33 10.440 -7.996 2.823 244 HD11 LEU 33 1HD1 LEU 33 12.469 -9.212 2.206 245 HD12 LEU 33 2HD1 LEU 33 12.824 -9.484 3.912 246 HD13 LEU 33 3HD1 LEU 33 12.825 -7.845 3.260 247 HD21 LEU 33 3HD2 LEU 33 9.127 -9.921 3.561 248 HD22 LEU 33 1HD2 LEU 33 10.599 -10.733 4.097 249 HD23 LEU 33 2HD2 LEU 33 10.343 -10.410 2.383
Contact the webmaster for help, if required. Wednesday, May 29, 2024 8:37:16 AM GMT (wattos1)