NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11741 | 1ryg | 6067 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 1 1H GLU 1 12.973 1.347 1.808 2 2H GLU 1 2H GLU 1 12.987 2.286 3.222 3 3H GLU 1 3H GLU 1 14.363 2.225 2.229 4 HA GLU 1 HA GLU 1 12.846 4.290 2.084 5 1HB GLU 1 2HB GLU 1 13.461 4.419 -0.314 6 2HB GLU 1 1HB GLU 1 14.770 3.718 0.635 7 1HG GLU 1 2HG GLU 1 13.654 1.429 0.016 8 2HG GLU 1 1HG GLU 1 12.878 2.353 -1.270 9 H CYS 2 H CYS 2 10.796 2.645 2.833 10 HA CYS 2 HA CYS 2 8.765 3.175 0.755 11 1HB CYS 2 2HB CYS 2 8.055 0.748 0.815 12 2HB CYS 2 1HB CYS 2 9.628 1.016 0.067 13 H LEU 3 H LEU 3 6.537 2.467 1.631 14 HA LEU 3 HA LEU 3 6.359 3.288 4.478 15 1HB LEU 3 2HB LEU 3 4.358 2.893 2.231 16 2HB LEU 3 1HB LEU 3 3.914 3.433 3.850 17 HG LEU 3 HG LEU 3 6.036 4.859 2.239 18 1HD1 LEU 3 1HD1 LEU 3 4.257 6.455 1.562 19 2HD1 LEU 3 2HD1 LEU 3 3.047 5.392 2.280 20 3HD1 LEU 3 3HD1 LEU 3 3.984 4.848 0.888 21 1HD2 LEU 3 1HD2 LEU 3 4.153 5.997 4.307 22 2HD2 LEU 3 2HD2 LEU 3 5.732 6.601 3.805 23 3HD2 LEU 3 3HD2 LEU 3 5.618 5.147 4.797 24 H GLY 4 H GLY 4 5.380 1.971 6.075 25 1HA GLY 4 2HA GLY 4 5.571 -0.902 5.662 26 2HA GLY 4 1HA GLY 4 5.041 -0.103 7.142 27 H PHE 5 H PHE 5 3.489 -2.077 6.889 28 HA PHE 5 HA PHE 5 1.335 -1.859 4.939 29 1HB PHE 5 2HB PHE 5 1.930 -4.016 5.787 30 2HB PHE 5 1HB PHE 5 1.844 -3.462 7.458 31 HD1 PHE 5 HD1 PHE 5 0.041 -4.383 8.597 32 HD2 PHE 5 HD2 PHE 5 -0.453 -3.247 4.483 33 HE1 PHE 5 HE1 PHE 5 -2.347 -5.039 8.701 34 HE2 PHE 5 HE2 PHE 5 -2.841 -3.902 4.591 35 HZ PHE 5 HZ PHE 5 -3.788 -4.799 6.698 36 H GLY 6 H GLY 6 -0.585 -0.772 5.161 37 1HA GLY 6 2HA GLY 6 -2.419 0.241 6.285 38 2HA GLY 6 1HA GLY 6 -1.545 0.095 7.807 39 H LYS 7 H LYS 7 0.753 1.381 5.878 40 HA LYS 7 HA LYS 7 0.491 4.045 6.982 41 1HB LYS 7 2HB LYS 7 2.475 2.451 5.899 42 2HB LYS 7 1HB LYS 7 2.243 3.668 4.643 43 1HG LYS 7 2HG LYS 7 3.547 5.029 5.884 44 2HG LYS 7 1HG LYS 7 2.200 5.135 7.018 45 1HD LYS 7 2HD LYS 7 3.298 2.751 7.759 46 2HD LYS 7 1HD LYS 7 4.737 3.625 7.235 47 1HE LYS 7 2HE LYS 7 2.760 5.019 9.027 48 2HE LYS 7 1HE LYS 7 3.927 3.882 9.729 49 1HZ LYS 7 1HZ LYS 7 4.584 6.170 7.945 50 2HZ LYS 7 2HZ LYS 7 5.706 5.053 8.565 51 3HZ LYS 7 3HZ LYS 7 4.877 6.101 9.613 52 H GLY 8 H GLY 8 -0.583 5.781 6.113 53 1HA GLY 8 2HA GLY 8 -2.318 5.558 3.873 54 2HA GLY 8 1HA GLY 8 -1.827 7.080 4.609 55 H CYS 9 H CYS 9 -1.906 5.658 1.719 56 HA CYS 9 HA CYS 9 0.449 7.186 0.724 57 1HB CYS 9 2HB CYS 9 1.025 5.129 -0.673 58 2HB CYS 9 1HB CYS 9 1.324 4.969 1.056 59 H ASN 10 H ASN 10 0.367 6.756 -1.898 60 HA ASN 10 HA ASN 10 -2.399 7.548 -2.695 61 1HB ASN 10 2HB ASN 10 0.320 8.315 -3.342 62 2HB ASN 10 1HB ASN 10 -0.546 7.863 -4.810 63 1HD2 ASN 10 1HD2 ASN 10 -0.158 10.365 -2.462 64 2HD2 ASN 10 2HD2 ASN 10 -1.436 11.352 -2.985 65 HA PRO 11 HA PRO 11 -2.872 3.573 -4.623 66 1HB PRO 11 2HB PRO 11 -5.028 4.186 -6.207 67 2HB PRO 11 1HB PRO 11 -5.155 3.886 -4.462 68 1HG PRO 11 2HG PRO 11 -5.080 6.474 -5.935 69 2HG PRO 11 1HG PRO 11 -6.060 5.998 -4.538 70 1HD PRO 11 2HD PRO 11 -3.840 7.542 -4.321 71 2HD PRO 11 1HD PRO 11 -4.377 6.434 -3.038 72 H SER 12 H SER 12 -2.962 6.533 -6.645 73 HA SER 12 HA SER 12 -2.257 5.210 -9.120 74 1HB SER 12 2HB SER 12 -1.784 7.582 -9.814 75 2HB SER 12 1HB SER 12 -3.359 7.384 -9.055 76 HG SER 12 HG SER 12 -1.156 8.790 -8.229 77 H ASN 13 H ASN 13 -0.391 6.908 -6.614 78 HA ASN 13 HA ASN 13 2.140 5.885 -7.860 79 1HB ASN 13 2HB ASN 13 1.420 8.355 -6.262 80 2HB ASN 13 1HB ASN 13 3.096 7.855 -6.489 81 1HD2 ASN 13 1HD2 ASN 13 3.993 7.961 -8.676 82 2HD2 ASN 13 2HD2 ASN 13 3.207 8.822 -9.910 83 H ASP 14 H ASP 14 1.217 3.902 -6.499 84 HA ASP 14 HA ASP 14 1.371 3.962 -3.629 85 1HB ASP 14 2HB ASP 14 1.281 1.517 -3.874 86 2HB ASP 14 1HB ASP 14 0.169 2.277 -5.008 87 H GLN 15 H GLN 15 3.122 3.820 -2.286 88 HA GLN 15 HA GLN 15 5.760 3.001 -3.444 89 1HB GLN 15 2HB GLN 15 5.076 5.568 -3.008 90 2HB GLN 15 1HB GLN 15 5.623 5.158 -1.382 91 1HG GLN 15 2HG GLN 15 7.800 4.646 -2.107 92 2HG GLN 15 1HG GLN 15 7.293 4.441 -3.783 93 1HE2 GLN 15 1HE2 GLN 15 8.977 6.555 -1.860 94 2HE2 GLN 15 2HE2 GLN 15 8.680 8.001 -2.697 95 H CYS 16 H CYS 16 4.014 1.312 -1.935 96 HA CYS 16 HA CYS 16 4.841 1.308 0.883 97 1HB CYS 16 2HB CYS 16 2.688 0.413 -0.532 98 2HB CYS 16 1HB CYS 16 3.607 -1.083 -0.370 99 H CYS 17 H CYS 17 5.790 -0.829 1.772 100 HA CYS 17 HA CYS 17 8.324 -1.367 0.467 101 1HB CYS 17 2HB CYS 17 6.850 -2.649 2.791 102 2HB CYS 17 1HB CYS 17 8.527 -2.997 2.373 103 H LYS 18 H LYS 18 8.429 -2.613 -1.354 104 HA LYS 18 HA LYS 18 6.416 -4.555 -2.112 105 1HB LYS 18 2HB LYS 18 8.193 -3.101 -3.446 106 2HB LYS 18 1HB LYS 18 9.204 -4.529 -3.220 107 1HG LYS 18 2HG LYS 18 8.123 -5.573 -4.891 108 2HG LYS 18 1HG LYS 18 6.601 -5.407 -4.016 109 1HD LYS 18 2HD LYS 18 5.893 -3.810 -5.436 110 2HD LYS 18 1HD LYS 18 7.358 -2.865 -5.171 111 1HE LYS 18 2HE LYS 18 7.582 -5.297 -6.908 112 2HE LYS 18 1HE LYS 18 6.799 -3.856 -7.586 113 1HZ LYS 18 1HZ LYS 18 9.221 -3.802 -7.885 114 2HZ LYS 18 2HZ LYS 18 9.433 -3.876 -6.201 115 3HZ LYS 18 3HZ LYS 18 8.681 -2.525 -6.909 116 H SER 19 H SER 19 9.242 -4.747 -0.085 117 HA SER 19 HA SER 19 10.050 -7.447 -0.439 118 1HB SER 19 2HB SER 19 10.884 -5.377 1.029 119 2HB SER 19 1HB SER 19 9.961 -6.199 2.283 120 HG SER 19 HG SER 19 12.319 -6.767 1.827 121 H SER 20 H SER 20 7.378 -6.079 1.490 122 HA SER 20 HA SER 20 6.591 -8.840 2.338 123 1HB SER 20 2HB SER 20 5.988 -6.037 3.299 124 2HB SER 20 1HB SER 20 5.067 -7.426 3.867 125 HG SER 20 HG SER 20 6.672 -7.852 5.139 126 H ASN 21 H ASN 21 6.110 -7.515 -0.400 127 HA ASN 21 HA ASN 21 4.363 -7.300 -1.966 128 1HB ASN 21 2HB ASN 21 3.785 -9.540 -0.103 129 2HB ASN 21 1HB ASN 21 2.426 -9.012 -1.096 130 1HD2 ASN 21 1HD2 ASN 21 5.762 -10.282 -1.270 131 2HD2 ASN 21 2HD2 ASN 21 5.651 -10.803 -2.881 132 H LEU 22 H LEU 22 4.215 -5.068 -0.598 133 HA LEU 22 HA LEU 22 1.456 -4.838 0.551 134 1HB LEU 22 2HB LEU 22 3.999 -3.211 0.840 135 2HB LEU 22 1HB LEU 22 2.450 -2.708 1.514 136 HG LEU 22 HG LEU 22 3.735 -5.384 2.120 137 1HD1 LEU 22 1HD1 LEU 22 4.387 -4.383 4.281 138 2HD1 LEU 22 2HD1 LEU 22 3.774 -2.819 3.742 139 3HD1 LEU 22 3HD1 LEU 22 5.165 -3.546 2.938 140 1HD2 LEU 22 1HD2 LEU 22 2.131 -5.154 4.112 141 2HD2 LEU 22 2HD2 LEU 22 1.386 -5.454 2.543 142 3HD2 LEU 22 3HD2 LEU 22 1.385 -3.827 3.222 143 H VAL 23 H VAL 23 -0.027 -3.626 -0.544 144 HA VAL 23 HA VAL 23 0.936 -1.864 -2.780 145 HB VAL 23 HB VAL 23 -1.177 -2.584 -3.941 146 1HG1 VAL 23 1HG1 VAL 23 1.072 -3.715 -4.257 147 2HG1 VAL 23 2HG1 VAL 23 -0.327 -4.716 -4.649 148 3HG1 VAL 23 3HG1 VAL 23 0.525 -4.951 -3.123 149 1HG2 VAL 23 1HG2 VAL 23 -2.465 -4.440 -3.074 150 2HG2 VAL 23 2HG2 VAL 23 -2.363 -3.226 -1.799 151 3HG2 VAL 23 3HG2 VAL 23 -1.340 -4.662 -1.734 152 H CYS 24 H CYS 24 -0.343 0.071 -3.113 153 HA CYS 24 HA CYS 24 -1.609 1.086 -0.657 154 1HB CYS 24 2HB CYS 24 -0.017 2.279 -2.318 155 2HB CYS 24 1HB CYS 24 -1.440 2.453 -3.346 156 H SER 25 H SER 25 -3.808 1.497 -0.394 157 HA SER 25 HA SER 25 -5.648 0.270 -2.384 158 1HB SER 25 2HB SER 25 -5.445 0.091 0.316 159 2HB SER 25 1HB SER 25 -6.604 1.411 0.192 160 HG SER 25 HG SER 25 -6.921 -1.243 -0.292 161 H ARG 26 H ARG 26 -7.654 1.452 -2.936 162 HA ARG 26 HA ARG 26 -7.160 4.386 -3.227 163 1HB ARG 26 2HB ARG 26 -8.777 4.180 -5.082 164 2HB ARG 26 1HB ARG 26 -7.473 3.009 -5.256 165 1HG ARG 26 2HG ARG 26 -8.888 1.254 -5.064 166 2HG ARG 26 1HG ARG 26 -9.711 1.966 -3.678 167 1HD ARG 26 2HD ARG 26 -11.392 2.807 -4.969 168 2HD ARG 26 1HD ARG 26 -10.267 3.344 -6.232 169 HE ARG 26 HE ARG 26 -10.184 0.583 -6.427 170 1HH1 ARG 26 1HH2 ARG 26 -11.342 2.200 -8.627 171 2HH1 ARG 26 2HH2 ARG 26 -12.982 1.646 -8.686 172 1HH2 ARG 26 2HH1 ARG 26 -12.878 0.183 -5.534 173 2HH2 ARG 26 1HH1 ARG 26 -13.854 0.500 -6.930 174 H LYS 27 H LYS 27 -9.230 2.110 -1.591 175 HA LYS 27 HA LYS 27 -11.482 3.942 -1.222 176 1HB LYS 27 2HB LYS 27 -11.226 1.281 -1.200 177 2HB LYS 27 1HB LYS 27 -10.971 1.565 0.521 178 1HG LYS 27 2HG LYS 27 -13.173 1.892 0.840 179 2HG LYS 27 1HG LYS 27 -13.196 3.154 -0.392 180 1HD LYS 27 2HD LYS 27 -12.999 0.854 -1.908 181 2HD LYS 27 1HD LYS 27 -14.041 0.346 -0.579 182 1HE LYS 27 2HE LYS 27 -15.653 1.252 -1.985 183 2HE LYS 27 1HE LYS 27 -15.194 2.727 -1.111 184 1HZ LYS 27 1HZ LYS 27 -13.979 1.768 -3.653 185 2HZ LYS 27 2HZ LYS 27 -13.517 3.165 -2.803 186 3HZ LYS 27 3HZ LYS 27 -15.060 3.067 -3.507 187 H HIS 28 H HIS 28 -8.915 2.638 0.899 188 HA HIS 28 HA HIS 28 -9.567 4.712 2.942 189 1HB HIS 28 2HB HIS 28 -8.265 2.029 2.849 190 2HB HIS 28 1HB HIS 28 -7.699 3.147 4.090 191 HD1 HIS 28 HD1 HIS 28 -9.788 4.323 5.501 192 HD2 HIS 28 HD2 HIS 28 -10.564 0.694 3.600 193 HE1 HIS 28 HE1 HIS 28 -11.877 3.382 6.579 194 H ALA 29 H ALA 29 -7.475 4.386 0.313 195 HA ALA 29 HA ALA 29 -5.499 5.495 -0.325 196 1HB ALA 29 1HB ALA 29 -5.457 7.763 0.370 197 2HB ALA 29 2HB ALA 29 -6.145 7.380 1.948 198 3HB ALA 29 3HB ALA 29 -7.156 7.309 0.504 199 H TRP 30 H TRP 30 -5.079 3.331 1.469 200 HA TRP 30 HA TRP 30 -2.623 4.272 2.874 201 1HB TRP 30 2HB TRP 30 -3.292 3.330 4.927 202 2HB TRP 30 1HB TRP 30 -4.783 4.039 4.325 203 HD1 TRP 30 HD1 TRP 30 -5.269 1.610 2.161 204 HE1 TRP 30 HE1 TRP 30 -6.212 -0.611 3.060 205 HE3 TRP 30 HE3 TRP 30 -4.075 2.091 7.096 206 HZ2 TRP 30 HZ2 TRP 30 -6.431 -2.001 5.549 207 HZ3 TRP 30 HZ3 TRP 30 -4.663 0.306 8.710 208 HH2 TRP 30 HH2 TRP 30 -5.838 -1.738 7.944 209 H CYS 31 H CYS 31 -1.524 2.026 3.771 210 HA CYS 31 HA CYS 31 -1.059 0.450 1.325 211 1HB CYS 31 2HB CYS 31 0.202 0.907 3.981 212 2HB CYS 31 1HB CYS 31 0.510 -0.661 3.234 213 H LYS 32 H LYS 32 -2.472 -1.189 0.904 214 HA LYS 32 HA LYS 32 -3.727 -2.690 3.158 215 1HB LYS 32 2HB LYS 32 -4.735 -1.588 0.879 216 2HB LYS 32 1HB LYS 32 -4.417 -3.229 0.318 217 1HG LYS 32 2HG LYS 32 -5.709 -3.032 2.976 218 2HG LYS 32 1HG LYS 32 -6.695 -2.494 1.617 219 1HD LYS 32 2HD LYS 32 -5.318 -4.939 0.923 220 2HD LYS 32 1HD LYS 32 -6.214 -5.158 2.427 221 1HE LYS 32 2HE LYS 32 -8.054 -3.781 0.932 222 2HE LYS 32 1HE LYS 32 -7.238 -4.741 -0.317 223 1HZ LYS 32 1HZ LYS 32 -7.494 -6.705 1.094 224 2HZ LYS 32 2HZ LYS 32 -9.003 -6.029 0.708 225 3HZ LYS 32 3HZ LYS 32 -8.330 -5.784 2.248 226 H TYR 33 H TYR 33 -3.682 -5.052 3.101 227 HA TYR 33 HA TYR 33 -1.205 -6.133 1.827 228 1HB TYR 33 2HB TYR 33 -2.188 -6.223 4.392 229 2HB TYR 33 1HB TYR 33 -2.757 -7.762 3.749 230 HD1 TYR 33 HD1 TYR 33 -0.794 -8.818 2.050 231 HD2 TYR 33 HD2 TYR 33 -0.189 -6.414 5.559 232 HE1 TYR 33 HE1 TYR 33 1.480 -9.767 2.308 233 HE2 TYR 33 HE2 TYR 33 2.086 -7.364 5.817 234 HH TYR 33 HH TYR 33 3.124 -9.963 4.739 235 H GLU 34 H GLU 34 -1.484 -7.365 0.008 236 HA GLU 34 HA GLU 34 -4.159 -8.273 -0.805 237 1HB GLU 34 2HB GLU 34 -2.268 -7.318 -2.264 238 2HB GLU 34 1HB GLU 34 -1.480 -8.887 -2.081 239 1HG GLU 34 2HG GLU 34 -3.670 -9.926 -2.903 240 2HG GLU 34 1HG GLU 34 -4.158 -8.294 -3.359 241 H ILE 35 H ILE 35 -4.979 -10.213 -0.188 242 HA ILE 35 HA ILE 35 -5.139 -12.446 0.511 243 HB ILE 35 HB ILE 35 -2.368 -12.521 -0.738 244 1HG1 ILE 35 2HG1 ILE 35 -4.900 -13.477 -2.052 245 2HG1 ILE 35 1HG1 ILE 35 -4.521 -11.756 -2.072 246 1HG2 ILE 35 1HG2 ILE 35 -4.291 -14.656 0.175 247 2HG2 ILE 35 2HG2 ILE 35 -2.559 -14.527 0.481 248 3HG2 ILE 35 3HG2 ILE 35 -3.139 -14.975 -1.122 249 1HD1 ILE 35 1HD1 ILE 35 -3.149 -14.012 -3.444 250 2HD1 ILE 35 2HD1 ILE 35 -2.119 -12.725 -2.817 251 3HD1 ILE 35 3HD1 ILE 35 -3.391 -12.350 -3.979 252 1HN NH2 36 1HN NH2 36 -1.692 -12.473 2.818 253 2HN NH2 36 2HN NH2 36 -1.555 -11.684 1.231 Start of MODEL 2 1 1H GLU 1 1H GLU 1 11.348 7.426 -2.012 2 2H GLU 1 2H GLU 1 12.098 5.912 -1.837 3 3H GLU 1 3H GLU 1 12.854 7.310 -1.238 4 HA GLU 1 HA GLU 1 11.863 6.050 0.582 5 1HB GLU 1 2HB GLU 1 11.108 8.779 -0.302 6 2HB GLU 1 1HB GLU 1 10.129 8.122 1.009 7 1HG GLU 1 2HG GLU 1 12.614 7.413 1.860 8 2HG GLU 1 1HG GLU 1 12.989 8.904 0.996 9 H CYS 2 H CYS 2 10.517 4.272 0.519 10 HA CYS 2 HA CYS 2 7.803 4.583 -0.717 11 1HB CYS 2 2HB CYS 2 7.902 2.120 -0.906 12 2HB CYS 2 1HB CYS 2 9.309 2.861 -1.663 13 H LEU 3 H LEU 3 6.032 3.392 0.430 14 HA LEU 3 HA LEU 3 6.189 3.877 3.349 15 1HB LEU 3 2HB LEU 3 3.945 3.094 1.457 16 2HB LEU 3 1HB LEU 3 3.724 3.484 3.161 17 HG LEU 3 HG LEU 3 5.215 5.468 1.510 18 1HD1 LEU 3 1HD1 LEU 3 2.247 4.921 1.266 19 2HD1 LEU 3 2HD1 LEU 3 3.437 5.005 -0.032 20 3HD1 LEU 3 3HD1 LEU 3 2.974 6.469 0.835 21 1HD2 LEU 3 1HD2 LEU 3 3.032 5.702 3.610 22 2HD2 LEU 3 2HD2 LEU 3 4.010 7.026 2.975 23 3HD2 LEU 3 3HD2 LEU 3 4.763 5.760 3.945 24 H GLY 4 H GLY 4 6.449 2.229 4.809 25 1HA GLY 4 2HA GLY 4 6.943 -0.475 3.968 26 2HA GLY 4 1HA GLY 4 6.759 0.057 5.638 27 H PHE 5 H PHE 5 5.650 -2.256 5.430 28 HA PHE 5 HA PHE 5 3.014 -2.425 4.270 29 1HB PHE 5 2HB PHE 5 4.311 -4.402 4.750 30 2HB PHE 5 1HB PHE 5 4.489 -3.942 6.443 31 HD1 PHE 5 HD1 PHE 5 3.240 -5.284 7.867 32 HD2 PHE 5 HD2 PHE 5 1.589 -4.197 4.053 33 HE1 PHE 5 HE1 PHE 5 1.152 -6.497 8.424 34 HE2 PHE 5 HE2 PHE 5 -0.500 -5.412 4.612 35 HZ PHE 5 HZ PHE 5 -0.718 -6.561 6.798 36 H GLY 6 H GLY 6 1.073 -1.737 5.087 37 1HA GLY 6 2HA GLY 6 -0.534 -1.052 6.675 38 2HA GLY 6 1HA GLY 6 0.652 -1.327 7.951 39 H LYS 7 H LYS 7 0.645 0.797 5.072 40 HA LYS 7 HA LYS 7 1.140 3.128 6.898 41 1HB LYS 7 2HB LYS 7 2.425 2.234 4.315 42 2HB LYS 7 1HB LYS 7 2.489 3.925 4.811 43 1HG LYS 7 2HG LYS 7 3.252 1.789 6.779 44 2HG LYS 7 1HG LYS 7 4.409 2.279 5.542 45 1HD LYS 7 2HD LYS 7 4.852 4.222 6.597 46 2HD LYS 7 1HD LYS 7 3.137 4.583 6.790 47 1HE LYS 7 2HE LYS 7 3.086 3.777 8.929 48 2HE LYS 7 1HE LYS 7 4.138 2.404 8.532 49 1HZ LYS 7 1HZ LYS 7 6.024 3.901 8.431 50 2HZ LYS 7 2HZ LYS 7 5.275 4.023 9.951 51 3HZ LYS 7 3HZ LYS 7 5.030 5.230 8.782 52 H GLY 8 H GLY 8 -0.595 4.486 6.753 53 1HA GLY 8 2HA GLY 8 -2.660 4.324 4.826 54 2HA GLY 8 1HA GLY 8 -2.368 5.723 5.854 55 H CYS 9 H CYS 9 -2.579 4.786 2.702 56 HA CYS 9 HA CYS 9 -1.178 7.231 1.770 57 1HB CYS 9 2HB CYS 9 0.473 6.103 0.679 58 2HB CYS 9 1HB CYS 9 0.052 4.753 1.727 59 H ASN 10 H ASN 10 -1.598 7.266 -0.821 60 HA ASN 10 HA ASN 10 -4.532 7.032 -1.118 61 1HB ASN 10 2HB ASN 10 -4.121 8.405 -3.125 62 2HB ASN 10 1HB ASN 10 -3.302 9.092 -1.726 63 1HD2 ASN 10 1HD2 ASN 10 -2.734 8.876 -4.861 64 2HD2 ASN 10 2HD2 ASN 10 -1.077 8.513 -4.891 65 HA PRO 11 HA PRO 11 -4.166 3.210 -3.337 66 1HB PRO 11 2HB PRO 11 -6.728 3.104 -4.295 67 2HB PRO 11 1HB PRO 11 -6.302 2.741 -2.612 68 1HG PRO 11 2HG PRO 11 -7.475 5.212 -3.774 69 2HG PRO 11 1HG PRO 11 -7.805 4.424 -2.224 70 1HD PRO 11 2HD PRO 11 -6.229 6.643 -2.502 71 2HD PRO 11 1HD PRO 11 -6.067 5.471 -1.176 72 H SER 12 H SER 12 -5.475 6.127 -4.926 73 HA SER 12 HA SER 12 -5.483 5.257 -7.623 74 1HB SER 12 2HB SER 12 -5.206 7.708 -8.082 75 2HB SER 12 1HB SER 12 -6.428 7.371 -6.861 76 HG SER 12 HG SER 12 -5.213 8.297 -5.398 77 H ASN 13 H ASN 13 -2.832 6.703 -5.738 78 HA ASN 13 HA ASN 13 -0.873 5.527 -7.676 79 1HB ASN 13 2HB ASN 13 -1.375 8.345 -6.867 80 2HB ASN 13 1HB ASN 13 0.322 7.863 -6.912 81 1HD2 ASN 13 1HD2 ASN 13 1.300 7.605 -8.978 82 2HD2 ASN 13 2HD2 ASN 13 0.456 7.777 -10.441 83 H ASP 14 H ASP 14 -1.178 3.983 -5.661 84 HA ASP 14 HA ASP 14 -0.178 4.648 -3.086 85 1HB ASP 14 2HB ASP 14 -0.205 2.285 -2.740 86 2HB ASP 14 1HB ASP 14 -1.478 2.598 -3.917 87 H GLN 15 H GLN 15 1.872 4.632 -2.192 88 HA GLN 15 HA GLN 15 4.177 4.143 -4.055 89 1HB GLN 15 2HB GLN 15 3.561 6.277 -2.015 90 2HB GLN 15 1HB GLN 15 5.234 5.927 -2.450 91 1HG GLN 15 2HG GLN 15 5.012 6.793 -4.558 92 2HG GLN 15 1HG GLN 15 3.345 6.241 -4.722 93 1HE2 GLN 15 1HE2 GLN 15 1.634 7.644 -3.921 94 2HE2 GLN 15 2HE2 GLN 15 1.937 9.250 -3.460 95 H CYS 16 H CYS 16 2.948 2.158 -2.284 96 HA CYS 16 HA CYS 16 4.455 1.894 0.176 97 1HB CYS 16 2HB CYS 16 3.000 -0.161 -1.523 98 2HB CYS 16 1HB CYS 16 3.431 -0.350 0.175 99 H CYS 17 H CYS 17 6.103 0.205 0.575 100 HA CYS 17 HA CYS 17 8.207 0.160 -1.395 101 1HB CYS 17 2HB CYS 17 7.734 -1.578 1.055 102 2HB CYS 17 1HB CYS 17 9.281 -1.346 0.243 103 H LYS 18 H LYS 18 8.221 -1.094 -3.220 104 HA LYS 18 HA LYS 18 6.354 -3.336 -3.529 105 1HB LYS 18 2HB LYS 18 8.470 -2.021 -5.249 106 2HB LYS 18 1HB LYS 18 7.501 -3.382 -5.812 107 1HG LYS 18 2HG LYS 18 6.374 -0.753 -4.799 108 2HG LYS 18 1HG LYS 18 6.523 -1.201 -6.497 109 1HD LYS 18 2HD LYS 18 5.208 -3.381 -5.545 110 2HD LYS 18 1HD LYS 18 4.583 -2.140 -4.458 111 1HE LYS 18 2HE LYS 18 4.682 -1.515 -7.393 112 2HE LYS 18 1HE LYS 18 3.400 -2.588 -6.799 113 1HZ LYS 18 1HZ LYS 18 4.077 0.081 -5.669 114 2HZ LYS 18 2HZ LYS 18 2.854 -0.956 -5.102 115 3HZ LYS 18 3HZ LYS 18 2.733 -0.257 -6.646 116 H SER 19 H SER 19 9.252 -3.217 -1.931 117 HA SER 19 HA SER 19 10.774 -5.394 -2.994 118 1HB SER 19 2HB SER 19 11.414 -3.635 -1.271 119 2HB SER 19 1HB SER 19 10.481 -4.555 -0.095 120 HG SER 19 HG SER 19 12.052 -5.947 0.007 121 H SER 20 H SER 20 8.094 -5.297 -0.639 122 HA SER 20 HA SER 20 8.023 -8.298 -0.682 123 1HB SER 20 2HB SER 20 8.418 -6.700 1.443 124 2HB SER 20 1HB SER 20 6.657 -6.674 1.423 125 HG SER 20 HG SER 20 8.417 -8.726 1.999 126 H ASN 21 H ASN 21 6.731 -6.382 -2.624 127 HA ASN 21 HA ASN 21 4.665 -6.112 -3.715 128 1HB ASN 21 2HB ASN 21 4.995 -8.664 -3.393 129 2HB ASN 21 1HB ASN 21 3.786 -8.524 -2.117 130 1HD2 ASN 21 1HD2 ASN 21 4.292 -8.119 -5.627 131 2HD2 ASN 21 2HD2 ASN 21 2.643 -8.128 -6.029 132 H LEU 22 H LEU 22 4.140 -4.134 -2.540 133 HA LEU 22 HA LEU 22 1.965 -4.519 -0.504 134 1HB LEU 22 2HB LEU 22 4.331 -2.631 -0.566 135 2HB LEU 22 1HB LEU 22 2.940 -2.354 0.482 136 HG LEU 22 HG LEU 22 4.542 -4.929 0.469 137 1HD1 LEU 22 1HD1 LEU 22 4.662 -2.742 2.553 138 2HD1 LEU 22 2HD1 LEU 22 5.799 -2.815 1.207 139 3HD1 LEU 22 3HD1 LEU 22 5.729 -4.135 2.374 140 1HD2 LEU 22 1HD2 LEU 22 2.366 -3.772 2.230 141 2HD2 LEU 22 2HD2 LEU 22 3.387 -5.114 2.747 142 3HD2 LEU 22 3HD2 LEU 22 2.340 -5.294 1.340 143 H VAL 23 H VAL 23 0.108 -3.434 -1.009 144 HA VAL 23 HA VAL 23 0.240 -1.134 -2.928 145 HB VAL 23 HB VAL 23 -1.863 -2.127 -3.944 146 1HG1 VAL 23 1HG1 VAL 23 0.515 -3.995 -4.080 147 2HG1 VAL 23 2HG1 VAL 23 0.480 -2.420 -4.874 148 3HG1 VAL 23 3HG1 VAL 23 -0.671 -3.671 -5.342 149 1HG2 VAL 23 1HG2 VAL 23 -2.650 -4.225 -3.338 150 2HG2 VAL 23 2HG2 VAL 23 -2.074 -3.653 -1.774 151 3HG2 VAL 23 3HG2 VAL 23 -1.081 -4.754 -2.729 152 H CYS 24 H CYS 24 -1.495 0.425 -2.611 153 HA CYS 24 HA CYS 24 -2.477 0.534 0.150 154 1HB CYS 24 2HB CYS 24 -1.949 2.313 -2.023 155 2HB CYS 24 1HB CYS 24 -3.626 2.541 -1.532 156 H SER 25 H SER 25 -4.557 0.125 0.840 157 HA SER 25 HA SER 25 -6.399 -1.230 -1.028 158 1HB SER 25 2HB SER 25 -5.760 -1.885 1.387 159 2HB SER 25 1HB SER 25 -6.815 -0.570 1.896 160 HG SER 25 HG SER 25 -8.451 -1.813 1.483 161 H ARG 26 H ARG 26 -8.864 -0.598 -0.514 162 HA ARG 26 HA ARG 26 -9.100 2.331 -1.045 163 1HB ARG 26 2HB ARG 26 -10.319 -0.109 -1.998 164 2HB ARG 26 1HB ARG 26 -11.568 0.952 -1.349 165 1HG ARG 26 2HG ARG 26 -11.460 2.181 -3.227 166 2HG ARG 26 1HG ARG 26 -9.794 2.599 -2.828 167 1HD ARG 26 2HD ARG 26 -8.990 0.565 -3.977 168 2HD ARG 26 1HD ARG 26 -10.665 0.126 -4.370 169 HE ARG 26 HE ARG 26 -9.444 2.705 -5.294 170 1HH1 ARG 26 1HH2 ARG 26 -9.309 0.233 -7.076 171 2HH1 ARG 26 2HH2 ARG 26 -10.692 0.473 -8.092 172 1HH2 ARG 26 2HH1 ARG 26 -12.123 2.875 -6.027 173 2HH2 ARG 26 1HH1 ARG 26 -12.289 1.973 -7.496 174 H LYS 27 H LYS 27 -10.682 -0.240 0.903 175 HA LYS 27 HA LYS 27 -12.235 1.616 2.506 176 1HB LYS 27 2HB LYS 27 -11.462 -1.303 2.677 177 2HB LYS 27 1HB LYS 27 -12.458 -0.539 3.917 178 1HG LYS 27 2HG LYS 27 -14.021 0.212 2.083 179 2HG LYS 27 1HG LYS 27 -13.084 -0.777 0.961 180 1HD LYS 27 2HD LYS 27 -13.507 -2.615 2.881 181 2HD LYS 27 1HD LYS 27 -14.939 -1.618 3.136 182 1HE LYS 27 2HE LYS 27 -15.843 -2.882 1.454 183 2HE LYS 27 1HE LYS 27 -14.888 -1.838 0.384 184 1HZ LYS 27 1HZ LYS 27 -13.954 -4.375 1.625 185 2HZ LYS 27 2HZ LYS 27 -13.016 -3.357 0.638 186 3HZ LYS 27 3HZ LYS 27 -14.363 -4.167 -0.007 187 H HIS 28 H HIS 28 -9.147 -0.086 2.958 188 HA HIS 28 HA HIS 28 -8.750 1.123 5.632 189 1HB HIS 28 2HB HIS 28 -7.401 -0.913 3.879 190 2HB HIS 28 1HB HIS 28 -6.491 -0.190 5.205 191 HD1 HIS 28 HD1 HIS 28 -6.489 -2.094 6.874 192 HD2 HIS 28 HD2 HIS 28 -10.314 -1.250 5.446 193 HE1 HIS 28 HE1 HIS 28 -8.093 -3.483 8.257 194 H ALA 29 H ALA 29 -7.711 1.586 2.297 195 HA ALA 29 HA ALA 29 -6.363 3.232 1.286 196 1HB ALA 29 1HB ALA 29 -6.831 4.817 3.812 197 2HB ALA 29 2HB ALA 29 -8.158 4.466 2.705 198 3HB ALA 29 3HB ALA 29 -6.769 5.396 2.148 199 H TRP 30 H TRP 30 -4.860 1.257 2.626 200 HA TRP 30 HA TRP 30 -2.447 2.821 3.325 201 1HB TRP 30 2HB TRP 30 -2.229 1.928 5.506 202 2HB TRP 30 1HB TRP 30 -3.938 2.321 5.384 203 HD1 TRP 30 HD1 TRP 30 -4.583 -0.360 3.556 204 HE1 TRP 30 HE1 TRP 30 -4.768 -2.609 4.795 205 HE3 TRP 30 HE3 TRP 30 -2.095 0.807 7.854 206 HZ2 TRP 30 HZ2 TRP 30 -3.968 -3.761 7.292 207 HZ3 TRP 30 HZ3 TRP 30 -1.824 -0.880 9.646 208 HH2 TRP 30 HH2 TRP 30 -2.756 -3.160 9.372 209 H CYS 31 H CYS 31 -0.487 1.363 3.437 210 HA CYS 31 HA CYS 31 -0.356 -0.412 1.199 211 1HB CYS 31 2HB CYS 31 1.421 -0.157 3.650 212 2HB CYS 31 1HB CYS 31 1.881 -0.951 2.147 213 H LYS 32 H LYS 32 -1.149 -2.457 1.048 214 HA LYS 32 HA LYS 32 -1.235 -4.162 3.510 215 1HB LYS 32 2HB LYS 32 -3.482 -4.905 2.777 216 2HB LYS 32 1HB LYS 32 -3.448 -3.163 3.040 217 1HG LYS 32 2HG LYS 32 -3.763 -2.690 0.830 218 2HG LYS 32 1HG LYS 32 -2.759 -4.037 0.292 219 1HD LYS 32 2HD LYS 32 -4.543 -5.617 0.697 220 2HD LYS 32 1HD LYS 32 -5.534 -4.374 1.462 221 1HE LYS 32 2HE LYS 32 -5.413 -3.105 -0.770 222 2HE LYS 32 1HE LYS 32 -4.784 -4.613 -1.463 223 1HZ LYS 32 1HZ LYS 32 -7.210 -4.527 -1.592 224 2HZ LYS 32 2HZ LYS 32 -7.306 -4.353 0.096 225 3HZ LYS 32 3HZ LYS 32 -6.698 -5.789 -0.581 226 H TYR 33 H TYR 33 -1.842 -6.542 2.680 227 HA TYR 33 HA TYR 33 0.124 -7.174 0.533 228 1HB TYR 33 2HB TYR 33 -0.997 -8.459 2.961 229 2HB TYR 33 1HB TYR 33 -0.661 -9.551 1.616 230 HD1 TYR 33 HD1 TYR 33 1.657 -9.437 0.515 231 HD2 TYR 33 HD2 TYR 33 0.759 -7.633 4.309 232 HE1 TYR 33 HE1 TYR 33 4.077 -9.339 1.043 233 HE2 TYR 33 HE2 TYR 33 3.179 -7.534 4.836 234 HH TYR 33 HH TYR 33 5.396 -9.225 3.618 235 H GLU 34 H GLU 34 -0.718 -7.440 -1.489 236 HA GLU 34 HA GLU 34 -3.283 -8.935 -1.795 237 1HB GLU 34 2HB GLU 34 -3.676 -6.460 -1.789 238 2HB GLU 34 1HB GLU 34 -2.580 -6.318 -3.164 239 1HG GLU 34 2HG GLU 34 -4.030 -7.804 -4.488 240 2HG GLU 34 1HG GLU 34 -5.125 -7.964 -3.114 241 H ILE 35 H ILE 35 -2.868 -10.598 -3.185 242 HA ILE 35 HA ILE 35 -0.502 -10.533 -4.950 243 HB ILE 35 HB ILE 35 -2.657 -12.605 -4.395 244 1HG1 ILE 35 2HG1 ILE 35 -0.098 -13.373 -3.427 245 2HG1 ILE 35 1HG1 ILE 35 -0.353 -11.707 -2.908 246 1HG2 ILE 35 1HG2 ILE 35 -1.661 -13.080 -6.541 247 2HG2 ILE 35 2HG2 ILE 35 -0.942 -14.184 -5.369 248 3HG2 ILE 35 3HG2 ILE 35 -0.041 -12.770 -5.917 249 1HD1 ILE 35 1HD1 ILE 35 -1.913 -14.168 -2.218 250 2HD1 ILE 35 2HD1 ILE 35 -2.771 -12.628 -2.295 251 3HD1 ILE 35 3HD1 ILE 35 -1.418 -12.828 -1.182 252 1HN NH2 36 1HN NH2 36 -4.126 -9.936 -6.807 253 2HN NH2 36 2HN NH2 36 -3.842 -9.831 -5.055 Start of MODEL 3 1 1H GLU 1 1H GLU 1 12.666 6.258 3.845 2 2H GLU 1 2H GLU 1 12.036 6.014 2.286 3 3H GLU 1 3H GLU 1 11.949 4.774 3.444 4 HA GLU 1 HA GLU 1 10.440 6.112 4.801 5 1HB GLU 1 2HB GLU 1 11.501 8.074 2.915 6 2HB GLU 1 1HB GLU 1 9.742 8.156 3.016 7 1HG GLU 1 2HG GLU 1 10.169 8.021 5.610 8 2HG GLU 1 1HG GLU 1 11.781 8.588 5.177 9 H CYS 2 H CYS 2 8.883 4.541 4.446 10 HA CYS 2 HA CYS 2 7.201 4.794 2.014 11 1HB CYS 2 2HB CYS 2 7.444 2.351 1.574 12 2HB CYS 2 1HB CYS 2 8.974 3.209 1.410 13 H LEU 3 H LEU 3 5.199 3.391 2.242 14 HA LEU 3 HA LEU 3 4.212 3.519 5.027 15 1HB LEU 3 2HB LEU 3 2.918 2.830 2.365 16 2HB LEU 3 1HB LEU 3 2.043 3.018 3.883 17 HG LEU 3 HG LEU 3 3.842 5.222 2.898 18 1HD1 LEU 3 1HD1 LEU 3 0.908 5.154 2.235 19 2HD1 LEU 3 2HD1 LEU 3 2.077 4.410 1.144 20 3HD1 LEU 3 3HD1 LEU 3 2.186 6.131 1.512 21 1HD2 LEU 3 1HD2 LEU 3 2.723 6.513 4.453 22 2HD2 LEU 3 2HD2 LEU 3 2.545 4.938 5.226 23 3HD2 LEU 3 3HD2 LEU 3 1.219 5.608 4.277 24 H GLY 4 H GLY 4 4.357 1.745 6.335 25 1HA GLY 4 2HA GLY 4 5.173 -0.849 5.368 26 2HA GLY 4 1HA GLY 4 4.639 -0.488 7.010 27 H PHE 5 H PHE 5 3.771 -2.844 6.167 28 HA PHE 5 HA PHE 5 1.394 -2.936 4.572 29 1HB PHE 5 2HB PHE 5 2.794 -4.877 5.141 30 2HB PHE 5 1HB PHE 5 2.381 -4.693 6.845 31 HD1 PHE 5 HD1 PHE 5 0.696 -6.066 7.669 32 HD2 PHE 5 HD2 PHE 5 0.608 -4.909 3.532 33 HE1 PHE 5 HE1 PHE 5 -1.344 -7.434 7.328 34 HE2 PHE 5 HE2 PHE 5 -1.431 -6.278 3.193 35 HZ PHE 5 HZ PHE 5 -2.407 -7.540 5.090 36 H GLY 6 H GLY 6 -0.746 -2.589 5.091 37 1HA GLY 6 2HA GLY 6 -2.654 -2.113 6.373 38 2HA GLY 6 1HA GLY 6 -1.739 -2.537 7.817 39 H LYS 7 H LYS 7 -0.603 -0.102 5.539 40 HA LYS 7 HA LYS 7 -1.098 1.995 7.629 41 1HB LYS 7 2HB LYS 7 1.271 1.334 7.191 42 2HB LYS 7 1HB LYS 7 1.059 1.784 5.499 43 1HG LYS 7 2HG LYS 7 2.093 3.657 6.593 44 2HG LYS 7 1HG LYS 7 0.412 4.102 6.299 45 1HD LYS 7 2HD LYS 7 0.446 2.794 8.806 46 2HD LYS 7 1HD LYS 7 1.817 3.903 8.815 47 1HE LYS 7 2HE LYS 7 -0.844 4.879 7.795 48 2HE LYS 7 1HE LYS 7 -0.552 4.799 9.543 49 1HZ LYS 7 1HZ LYS 7 0.178 6.927 8.630 50 2HZ LYS 7 2HZ LYS 7 1.222 6.124 7.556 51 3HZ LYS 7 3HZ LYS 7 1.494 6.044 9.232 52 H GLY 8 H GLY 8 -2.428 3.658 6.985 53 1HA GLY 8 2HA GLY 8 -3.948 3.738 4.671 54 2HA GLY 8 1HA GLY 8 -3.532 5.193 5.573 55 H CYS 9 H CYS 9 -3.667 4.388 2.575 56 HA CYS 9 HA CYS 9 -1.229 5.886 1.779 57 1HB CYS 9 2HB CYS 9 -0.317 3.754 1.591 58 2HB CYS 9 1HB CYS 9 -1.879 3.004 1.278 59 H ASN 10 H ASN 10 -1.454 6.825 -0.343 60 HA ASN 10 HA ASN 10 -4.273 7.032 -1.267 61 1HB ASN 10 2HB ASN 10 -3.441 9.028 -2.439 62 2HB ASN 10 1HB ASN 10 -2.937 9.065 -0.753 63 1HD2 ASN 10 1HD2 ASN 10 -0.645 8.827 -0.285 64 2HD2 ASN 10 2HD2 ASN 10 0.528 8.860 -1.512 65 HA PRO 11 HA PRO 11 -3.411 4.283 -4.619 66 1HB PRO 11 2HB PRO 11 -5.586 4.880 -6.174 67 2HB PRO 11 1HB PRO 11 -5.682 3.891 -4.703 68 1HG PRO 11 2HG PRO 11 -6.350 6.767 -5.097 69 2HG PRO 11 1HG PRO 11 -7.183 5.537 -4.133 70 1HD PRO 11 2HD PRO 11 -5.536 7.414 -3.054 71 2HD PRO 11 1HD PRO 11 -5.783 5.805 -2.338 72 H SER 12 H SER 12 -4.062 7.732 -5.229 73 HA SER 12 HA SER 12 -3.340 7.910 -7.966 74 1HB SER 12 2HB SER 12 -3.036 9.780 -5.604 75 2HB SER 12 1HB SER 12 -2.697 10.283 -7.258 76 HG SER 12 HG SER 12 -4.774 10.255 -7.691 77 H ASN 13 H ASN 13 -1.293 7.941 -5.062 78 HA ASN 13 HA ASN 13 1.079 7.337 -6.774 79 1HB ASN 13 2HB ASN 13 0.658 9.840 -6.000 80 2HB ASN 13 1HB ASN 13 1.292 9.251 -4.464 81 1HD2 ASN 13 1HD2 ASN 13 2.244 10.562 -7.436 82 2HD2 ASN 13 2HD2 ASN 13 3.870 10.077 -7.415 83 H ASP 14 H ASP 14 0.623 5.140 -5.856 84 HA ASP 14 HA ASP 14 0.593 4.552 -3.061 85 1HB ASP 14 2HB ASP 14 -0.133 2.927 -4.666 86 2HB ASP 14 1HB ASP 14 1.394 3.011 -5.542 87 H GLN 15 H GLN 15 2.213 4.928 -1.624 88 HA GLN 15 HA GLN 15 5.055 4.721 -2.573 89 1HB GLN 15 2HB GLN 15 3.765 6.941 -1.695 90 2HB GLN 15 1HB GLN 15 4.346 6.308 -0.155 91 1HG GLN 15 2HG GLN 15 6.594 6.008 -1.608 92 2HG GLN 15 1HG GLN 15 5.887 7.376 -2.469 93 1HE2 GLN 15 1HE2 GLN 15 5.887 9.430 -1.415 94 2HE2 GLN 15 2HE2 GLN 15 6.537 9.678 0.133 95 H CYS 16 H CYS 16 3.541 2.466 -1.622 96 HA CYS 16 HA CYS 16 4.010 1.977 1.200 97 1HB CYS 16 2HB CYS 16 3.041 0.542 -1.216 98 2HB CYS 16 1HB CYS 16 3.678 -0.474 0.076 99 H CYS 17 H CYS 17 5.433 0.104 1.920 100 HA CYS 17 HA CYS 17 8.169 0.516 1.042 101 1HB CYS 17 2HB CYS 17 6.865 -1.560 2.836 102 2HB CYS 17 1HB CYS 17 8.601 -1.267 2.731 103 H LYS 18 H LYS 18 9.107 -0.450 -0.700 104 HA LYS 18 HA LYS 18 7.775 -2.610 -2.158 105 1HB LYS 18 2HB LYS 18 9.295 -0.535 -2.876 106 2HB LYS 18 1HB LYS 18 10.583 -1.726 -2.697 107 1HG LYS 18 2HG LYS 18 9.937 -1.965 -4.951 108 2HG LYS 18 1HG LYS 18 9.066 -3.266 -4.139 109 1HD LYS 18 2HD LYS 18 7.297 -2.352 -5.291 110 2HD LYS 18 1HD LYS 18 7.235 -1.316 -3.865 111 1HE LYS 18 2HE LYS 18 8.430 0.449 -4.982 112 2HE LYS 18 1HE LYS 18 8.835 -0.610 -6.347 113 1HZ LYS 18 1HZ LYS 18 6.898 0.769 -6.846 114 2HZ LYS 18 2HZ LYS 18 6.081 0.130 -5.500 115 3HZ LYS 18 3HZ LYS 18 6.482 -0.874 -6.811 116 H SER 19 H SER 19 9.905 -2.575 0.510 117 HA SER 19 HA SER 19 11.664 -4.755 -0.017 118 1HB SER 19 2HB SER 19 10.377 -3.595 2.460 119 2HB SER 19 1HB SER 19 11.537 -4.917 2.556 120 HG SER 19 HG SER 19 12.746 -3.102 2.681 121 H SER 20 H SER 20 8.325 -4.711 1.266 122 HA SER 20 HA SER 20 8.292 -7.703 1.218 123 1HB SER 20 2HB SER 20 6.658 -5.552 2.577 124 2HB SER 20 1HB SER 20 6.140 -7.235 2.552 125 HG SER 20 HG SER 20 8.280 -6.020 3.859 126 H ASN 21 H ASN 21 7.859 -5.584 -1.093 127 HA ASN 21 HA ASN 21 6.471 -5.376 -2.983 128 1HB ASN 21 2HB ASN 21 7.130 -7.936 -2.619 129 2HB ASN 21 1HB ASN 21 5.393 -8.103 -2.371 130 1HD2 ASN 21 1HD2 ASN 21 7.835 -7.009 -4.750 131 2HD2 ASN 21 2HD2 ASN 21 6.812 -7.143 -6.098 132 H LEU 22 H LEU 22 5.222 -3.842 -1.390 133 HA LEU 22 HA LEU 22 2.442 -4.891 -0.951 134 1HB LEU 22 2HB LEU 22 4.156 -2.830 0.451 135 2HB LEU 22 1HB LEU 22 2.420 -2.951 0.732 136 HG LEU 22 HG LEU 22 4.294 -5.310 1.019 137 1HD1 LEU 22 1HD1 LEU 22 4.238 -4.897 3.434 138 2HD1 LEU 22 2HD1 LEU 22 3.245 -3.461 3.184 139 3HD1 LEU 22 3HD1 LEU 22 4.910 -3.494 2.604 140 1HD2 LEU 22 1HD2 LEU 22 2.321 -6.048 2.499 141 2HD2 LEU 22 2HD2 LEU 22 2.038 -6.034 0.759 142 3HD2 LEU 22 3HD2 LEU 22 1.421 -4.722 1.763 143 H VAL 23 H VAL 23 0.691 -3.471 -1.502 144 HA VAL 23 HA VAL 23 1.407 -1.137 -3.247 145 HB VAL 23 HB VAL 23 -0.480 -1.911 -4.722 146 1HG1 VAL 23 1HG1 VAL 23 1.633 -4.046 -4.322 147 2HG1 VAL 23 2HG1 VAL 23 1.947 -2.502 -5.116 148 3HG1 VAL 23 3HG1 VAL 23 0.794 -3.638 -5.819 149 1HG2 VAL 23 1HG2 VAL 23 -1.472 -4.068 -4.410 150 2HG2 VAL 23 2HG2 VAL 23 -1.553 -3.271 -2.840 151 3HG2 VAL 23 3HG2 VAL 23 -0.319 -4.493 -3.145 152 H CYS 24 H CYS 24 -0.844 0.079 -3.726 153 HA CYS 24 HA CYS 24 -1.958 0.753 -1.067 154 1HB CYS 24 2HB CYS 24 -1.137 2.257 -3.123 155 2HB CYS 24 1HB CYS 24 -2.817 2.054 -3.618 156 H SER 25 H SER 25 -4.256 0.781 -0.668 157 HA SER 25 HA SER 25 -5.812 -1.142 -2.365 158 1HB SER 25 2HB SER 25 -5.174 -1.471 0.169 159 2HB SER 25 1HB SER 25 -6.488 -0.333 0.455 160 HG SER 25 HG SER 25 -7.904 -1.741 -0.429 161 H ARG 26 H ARG 26 -7.966 -0.556 -2.943 162 HA ARG 26 HA ARG 26 -8.497 2.364 -2.957 163 1HB ARG 26 2HB ARG 26 -9.655 -0.068 -4.339 164 2HB ARG 26 1HB ARG 26 -10.351 1.541 -4.526 165 1HG ARG 26 2HG ARG 26 -8.800 2.037 -6.076 166 2HG ARG 26 1HG ARG 26 -7.526 1.770 -4.886 167 1HD ARG 26 2HD ARG 26 -8.601 -0.770 -5.818 168 2HD ARG 26 1HD ARG 26 -8.003 0.209 -7.173 169 HE ARG 26 HE ARG 26 -6.346 -0.276 -4.721 170 1HH1 ARG 26 1HH2 ARG 26 -5.851 -2.281 -6.797 171 2HH1 ARG 26 2HH2 ARG 26 -4.614 -1.559 -7.771 172 1HH2 ARG 26 2HH1 ARG 26 -5.156 1.649 -6.549 173 2HH2 ARG 26 1HH1 ARG 26 -4.220 0.672 -7.630 174 H LYS 27 H LYS 27 -10.079 -0.665 -1.881 175 HA LYS 27 HA LYS 27 -12.378 0.726 -0.727 176 1HB LYS 27 2HB LYS 27 -11.899 -1.772 -1.628 177 2HB LYS 27 1HB LYS 27 -11.604 -2.036 0.090 178 1HG LYS 27 2HG LYS 27 -13.990 -0.428 -0.318 179 2HG LYS 27 1HG LYS 27 -14.104 -1.958 -1.187 180 1HD LYS 27 2HD LYS 27 -13.171 -1.873 1.680 181 2HD LYS 27 1HD LYS 27 -14.889 -1.906 1.287 182 1HE LYS 27 2HE LYS 27 -13.093 -3.915 -0.043 183 2HE LYS 27 1HE LYS 27 -13.575 -4.184 1.644 184 1HZ LYS 27 1HZ LYS 27 -15.412 -3.618 -0.627 185 2HZ LYS 27 2HZ LYS 27 -15.886 -3.803 0.994 186 3HZ LYS 27 3HZ LYS 27 -15.222 -5.116 0.146 187 H HIS 28 H HIS 28 -9.306 -0.567 0.466 188 HA HIS 28 HA HIS 28 -9.995 0.131 3.271 189 1HB HIS 28 2HB HIS 28 -7.631 -1.226 1.934 190 2HB HIS 28 1HB HIS 28 -7.781 -1.000 3.676 191 HD1 HIS 28 HD1 HIS 28 -10.460 -1.839 4.442 192 HD2 HIS 28 HD2 HIS 28 -8.495 -3.765 1.310 193 HE1 HIS 28 HE1 HIS 28 -11.593 -4.086 4.159 194 H ALA 29 H ALA 29 -8.201 1.401 0.551 195 HA ALA 29 HA ALA 29 -6.902 3.348 0.294 196 1HB ALA 29 1HB ALA 29 -8.052 4.236 2.935 197 2HB ALA 29 2HB ALA 29 -9.099 4.048 1.529 198 3HB ALA 29 3HB ALA 29 -7.757 5.191 1.482 199 H TRP 30 H TRP 30 -5.573 1.145 1.554 200 HA TRP 30 HA TRP 30 -3.494 2.619 3.061 201 1HB TRP 30 2HB TRP 30 -3.662 1.257 5.007 202 2HB TRP 30 1HB TRP 30 -5.311 1.729 4.622 203 HD1 TRP 30 HD1 TRP 30 -5.129 -0.599 2.101 204 HE1 TRP 30 HE1 TRP 30 -5.716 -3.004 2.812 205 HE3 TRP 30 HE3 TRP 30 -4.558 -0.165 7.138 206 HZ2 TRP 30 HZ2 TRP 30 -5.918 -4.543 5.220 207 HZ3 TRP 30 HZ3 TRP 30 -4.952 -2.109 8.626 208 HH2 TRP 30 HH2 TRP 30 -5.630 -4.297 7.674 209 H CYS 31 H CYS 31 -1.876 0.551 3.816 210 HA CYS 31 HA CYS 31 -0.896 -0.449 1.234 211 1HB CYS 31 2HB CYS 31 0.308 0.411 3.469 212 2HB CYS 31 1HB CYS 31 0.227 -1.304 3.871 213 H LYS 32 H LYS 32 -1.395 -2.439 0.416 214 HA LYS 32 HA LYS 32 -2.328 -4.580 2.296 215 1HB LYS 32 2HB LYS 32 -4.100 -5.094 0.626 216 2HB LYS 32 1HB LYS 32 -4.253 -3.453 1.250 217 1HG LYS 32 2HG LYS 32 -3.654 -2.487 -0.751 218 2HG LYS 32 1HG LYS 32 -2.579 -3.812 -1.191 219 1HD LYS 32 2HD LYS 32 -5.093 -5.006 -1.125 220 2HD LYS 32 1HD LYS 32 -5.402 -3.423 -1.840 221 1HE LYS 32 2HE LYS 32 -3.683 -3.806 -3.540 222 2HE LYS 32 1HE LYS 32 -3.254 -5.356 -2.791 223 1HZ LYS 32 1HZ LYS 32 -5.947 -4.636 -3.832 224 2HZ LYS 32 2HZ LYS 32 -5.516 -6.121 -3.126 225 3HZ LYS 32 3HZ LYS 32 -4.839 -5.655 -4.613 226 H TYR 33 H TYR 33 -2.214 -6.777 1.238 227 HA TYR 33 HA TYR 33 0.201 -6.948 -0.511 228 1HB TYR 33 2HB TYR 33 0.124 -8.093 1.713 229 2HB TYR 33 1HB TYR 33 -1.246 -9.046 1.144 230 HD1 TYR 33 HD1 TYR 33 -0.846 -11.099 0.107 231 HD2 TYR 33 HD2 TYR 33 2.254 -8.124 0.142 232 HE1 TYR 33 HE1 TYR 33 0.707 -12.703 -0.973 233 HE2 TYR 33 HE2 TYR 33 3.807 -9.729 -0.936 234 HH TYR 33 HH TYR 33 3.030 -12.226 -2.566 235 H GLU 34 H GLU 34 0.150 -8.444 -2.336 236 HA GLU 34 HA GLU 34 -2.256 -8.319 -3.921 237 1HB GLU 34 2HB GLU 34 0.447 -8.777 -4.296 238 2HB GLU 34 1HB GLU 34 -0.256 -10.362 -4.623 239 1HG GLU 34 2HG GLU 34 -1.727 -9.447 -6.300 240 2HG GLU 34 1HG GLU 34 -1.280 -7.796 -5.865 241 H ILE 35 H ILE 35 -4.030 -9.601 -3.665 242 HA ILE 35 HA ILE 35 -3.650 -12.456 -2.853 243 HB ILE 35 HB ILE 35 -4.201 -10.978 -0.904 244 1HG1 ILE 35 2HG1 ILE 35 -6.637 -12.651 -1.431 245 2HG1 ILE 35 1HG1 ILE 35 -5.063 -13.440 -1.341 246 1HG2 ILE 35 1HG2 ILE 35 -6.871 -10.585 -2.280 247 2HG2 ILE 35 2HG2 ILE 35 -5.592 -9.372 -2.288 248 3HG2 ILE 35 3HG2 ILE 35 -6.329 -9.865 -0.764 249 1HD1 ILE 35 1HD1 ILE 35 -5.928 -11.501 0.797 250 2HD1 ILE 35 2HD1 ILE 35 -4.720 -12.782 0.892 251 3HD1 ILE 35 3HD1 ILE 35 -6.435 -13.189 0.854 252 1HN NH2 36 1HN NH2 36 -6.725 -13.355 -4.549 253 2HN NH2 36 2HN NH2 36 -6.070 -13.474 -2.901 Start of MODEL 4 1 1H GLU 1 1H GLU 1 12.505 7.582 1.218 2 2H GLU 1 2H GLU 1 10.815 7.748 1.179 3 3H GLU 1 3H GLU 1 11.648 7.189 -0.192 4 HA GLU 1 HA GLU 1 12.182 5.131 0.827 5 1HB GLU 1 2HB GLU 1 11.864 4.803 3.207 6 2HB GLU 1 1HB GLU 1 12.715 6.331 2.990 7 1HG GLU 1 2HG GLU 1 10.548 7.540 3.180 8 2HG GLU 1 1HG GLU 1 9.734 6.002 3.463 9 H CYS 2 H CYS 2 10.617 3.366 1.177 10 HA CYS 2 HA CYS 2 7.927 4.055 0.158 11 1HB CYS 2 2HB CYS 2 7.749 1.581 -0.030 12 2HB CYS 2 1HB CYS 2 9.211 2.192 -0.797 13 H LEU 3 H LEU 3 6.001 2.989 1.221 14 HA LEU 3 HA LEU 3 6.060 3.501 4.134 15 1HB LEU 3 2HB LEU 3 3.868 2.805 2.151 16 2HB LEU 3 1HB LEU 3 3.586 3.228 3.839 17 HG LEU 3 HG LEU 3 5.256 5.104 2.227 18 1HD1 LEU 3 1HD1 LEU 3 3.619 4.999 0.592 19 2HD1 LEU 3 2HD1 LEU 3 2.886 6.183 1.674 20 3HD1 LEU 3 3HD1 LEU 3 2.366 4.498 1.728 21 1HD2 LEU 3 1HD2 LEU 3 3.825 6.723 3.595 22 2HD2 LEU 3 2HD2 LEU 3 4.879 5.663 4.530 23 3HD2 LEU 3 3HD2 LEU 3 3.156 5.306 4.405 24 H GLY 4 H GLY 4 5.488 1.918 5.709 25 1HA GLY 4 2HA GLY 4 6.201 -0.830 5.028 26 2HA GLY 4 1HA GLY 4 5.734 -0.247 6.625 27 H PHE 5 H PHE 5 4.608 -2.539 6.227 28 HA PHE 5 HA PHE 5 2.208 -2.629 4.625 29 1HB PHE 5 2HB PHE 5 3.519 -4.578 5.447 30 2HB PHE 5 1HB PHE 5 3.032 -4.191 7.096 31 HD1 PHE 5 HD1 PHE 5 1.433 -4.663 3.722 32 HD2 PHE 5 HD2 PHE 5 1.208 -5.345 7.959 33 HE1 PHE 5 HE1 PHE 5 -0.667 -5.939 3.407 34 HE2 PHE 5 HE2 PHE 5 -0.893 -6.620 7.641 35 HZ PHE 5 HZ PHE 5 -1.831 -6.917 5.365 36 H GLY 6 H GLY 6 0.194 -1.822 5.088 37 1HA GLY 6 2HA GLY 6 -1.629 -1.014 6.334 38 2HA GLY 6 1HA GLY 6 -0.789 -1.507 7.805 39 H LYS 7 H LYS 7 -0.233 0.876 5.187 40 HA LYS 7 HA LYS 7 0.213 2.961 7.298 41 1HB LYS 7 2HB LYS 7 1.844 2.147 4.892 42 2HB LYS 7 1HB LYS 7 1.951 3.792 5.519 43 1HG LYS 7 2HG LYS 7 2.281 1.388 7.318 44 2HG LYS 7 1HG LYS 7 3.642 2.085 6.443 45 1HD LYS 7 2HD LYS 7 1.843 3.813 8.137 46 2HD LYS 7 1HD LYS 7 3.196 2.935 8.851 47 1HE LYS 7 2HE LYS 7 4.690 4.014 7.092 48 2HE LYS 7 1HE LYS 7 3.313 5.057 6.684 49 1HZ LYS 7 1HZ LYS 7 4.666 6.095 8.390 50 2HZ LYS 7 2HZ LYS 7 4.516 4.727 9.386 51 3HZ LYS 7 3HZ LYS 7 3.153 5.677 9.031 52 H GLY 8 H GLY 8 -1.240 4.601 6.995 53 1HA GLY 8 2HA GLY 8 -3.042 4.800 4.829 54 2HA GLY 8 1HA GLY 8 -2.670 6.124 5.931 55 H CYS 9 H CYS 9 -2.582 5.234 2.736 56 HA CYS 9 HA CYS 9 -0.624 7.396 2.105 57 1HB CYS 9 2HB CYS 9 0.805 5.946 1.087 58 2HB CYS 9 1HB CYS 9 -0.032 4.698 2.002 59 H ASN 10 H ASN 10 -0.756 7.399 -0.624 60 HA ASN 10 HA ASN 10 -3.560 8.194 -1.129 61 1HB ASN 10 2HB ASN 10 -0.868 8.508 -2.428 62 2HB ASN 10 1HB ASN 10 -2.317 8.792 -3.393 63 1HD2 ASN 10 1HD2 ASN 10 -2.475 11.057 -3.489 64 2HD2 ASN 10 2HD2 ASN 10 -2.452 12.076 -2.131 65 HA PRO 11 HA PRO 11 -4.454 4.312 -3.107 66 1HB PRO 11 2HB PRO 11 -6.824 5.050 -4.271 67 2HB PRO 11 1HB PRO 11 -6.666 4.669 -2.545 68 1HG PRO 11 2HG PRO 11 -6.775 7.321 -3.895 69 2HG PRO 11 1HG PRO 11 -7.504 6.800 -2.368 70 1HD PRO 11 2HD PRO 11 -5.230 8.288 -2.502 71 2HD PRO 11 1HD PRO 11 -5.580 7.161 -1.173 72 H SER 12 H SER 12 -4.915 7.343 -4.983 73 HA SER 12 HA SER 12 -4.561 6.074 -7.568 74 1HB SER 12 2HB SER 12 -4.445 8.450 -8.317 75 2HB SER 12 1HB SER 12 -5.800 8.170 -7.228 76 HG SER 12 HG SER 12 -4.900 9.453 -5.820 77 H ASN 13 H ASN 13 -2.421 7.815 -5.332 78 HA ASN 13 HA ASN 13 -0.078 7.121 -7.071 79 1HB ASN 13 2HB ASN 13 -0.757 9.361 -5.168 80 2HB ASN 13 1HB ASN 13 0.929 9.006 -5.542 81 1HD2 ASN 13 1HD2 ASN 13 1.737 9.685 -7.585 82 2HD2 ASN 13 2HD2 ASN 13 0.781 10.450 -8.761 83 H ASP 14 H ASP 14 -0.861 4.982 -5.645 84 HA ASP 14 HA ASP 14 0.107 4.861 -2.920 85 1HB ASP 14 2HB ASP 14 -0.302 2.453 -3.209 86 2HB ASP 14 1HB ASP 14 -1.626 3.379 -3.912 87 H GLN 15 H GLN 15 2.168 4.514 -2.196 88 HA GLN 15 HA GLN 15 4.213 3.441 -4.096 89 1HB GLN 15 2HB GLN 15 3.946 6.071 -3.664 90 2HB GLN 15 1HB GLN 15 4.906 5.680 -2.235 91 1HG GLN 15 2HG GLN 15 6.045 4.304 -4.464 92 2HG GLN 15 1HG GLN 15 5.802 5.987 -4.930 93 1HE2 GLN 15 1HE2 GLN 15 6.998 7.639 -3.761 94 2HE2 GLN 15 2HE2 GLN 15 8.264 7.244 -2.702 95 H CYS 16 H CYS 16 3.181 1.736 -2.277 96 HA CYS 16 HA CYS 16 4.525 1.848 0.321 97 1HB CYS 16 2HB CYS 16 2.263 0.730 -0.550 98 2HB CYS 16 1HB CYS 16 3.331 -0.642 -0.842 99 H CYS 17 H CYS 17 5.873 -0.176 0.979 100 HA CYS 17 HA CYS 17 8.235 -0.331 -0.644 101 1HB CYS 17 2HB CYS 17 7.175 -2.108 1.579 102 2HB CYS 17 1HB CYS 17 8.836 -2.123 0.990 103 H LYS 18 H LYS 18 8.868 -1.849 -2.174 104 HA LYS 18 HA LYS 18 6.761 -3.598 -3.292 105 1HB LYS 18 2HB LYS 18 8.489 -1.965 -4.442 106 2HB LYS 18 1HB LYS 18 9.572 -3.351 -4.321 107 1HG LYS 18 2HG LYS 18 8.224 -4.685 -5.711 108 2HG LYS 18 1HG LYS 18 6.801 -3.672 -5.460 109 1HD LYS 18 2HD LYS 18 7.517 -3.066 -7.622 110 2HD LYS 18 1HD LYS 18 8.198 -1.802 -6.599 111 1HE LYS 18 2HE LYS 18 10.326 -3.227 -6.477 112 2HE LYS 18 1HE LYS 18 9.631 -4.190 -7.796 113 1HZ LYS 18 1HZ LYS 18 9.350 -2.181 -9.093 114 2HZ LYS 18 2HZ LYS 18 10.979 -2.341 -8.639 115 3HZ LYS 18 3HZ LYS 18 9.974 -1.234 -7.831 116 H SER 19 H SER 19 8.696 -4.126 -0.742 117 HA SER 19 HA SER 19 10.160 -6.521 -1.421 118 1HB SER 19 2HB SER 19 10.427 -4.905 0.554 119 2HB SER 19 1HB SER 19 9.048 -5.724 1.282 120 HG SER 19 HG SER 19 11.652 -6.566 0.927 121 H SER 20 H SER 20 6.935 -5.970 0.044 122 HA SER 20 HA SER 20 6.358 -8.895 -0.289 123 1HB SER 20 2HB SER 20 5.772 -6.815 1.719 124 2HB SER 20 1HB SER 20 4.395 -7.840 1.326 125 HG SER 20 HG SER 20 6.813 -8.454 2.551 126 H ASN 21 H ASN 21 6.050 -6.467 -2.264 127 HA ASN 21 HA ASN 21 4.472 -5.713 -3.851 128 1HB ASN 21 2HB ASN 21 3.665 -8.572 -3.246 129 2HB ASN 21 1HB ASN 21 2.951 -7.643 -4.563 130 1HD2 ASN 21 1HD2 ASN 21 5.955 -9.167 -3.436 131 2HD2 ASN 21 2HD2 ASN 21 6.776 -9.040 -4.916 132 H LEU 22 H LEU 22 3.731 -4.306 -1.866 133 HA LEU 22 HA LEU 22 0.922 -5.003 -1.081 134 1HB LEU 22 2HB LEU 22 2.954 -3.099 0.134 135 2HB LEU 22 1HB LEU 22 1.371 -3.477 0.810 136 HG LEU 22 HG LEU 22 3.444 -5.610 0.256 137 1HD1 LEU 22 1HD1 LEU 22 4.499 -4.168 1.842 138 2HD1 LEU 22 2HD1 LEU 22 3.802 -5.487 2.782 139 3HD1 LEU 22 3HD1 LEU 22 2.992 -3.922 2.725 140 1HD2 LEU 22 1HD2 LEU 22 2.023 -6.704 2.126 141 2HD2 LEU 22 2HD2 LEU 22 1.301 -6.585 0.521 142 3HD2 LEU 22 3HD2 LEU 22 0.842 -5.440 1.781 143 H VAL 23 H VAL 23 -0.701 -3.376 -1.292 144 HA VAL 23 HA VAL 23 0.045 -0.930 -2.857 145 HB VAL 23 HB VAL 23 -2.020 -1.379 -4.225 146 1HG1 VAL 23 1HG1 VAL 23 -0.096 -3.716 -4.290 147 2HG1 VAL 23 2HG1 VAL 23 0.320 -2.110 -4.891 148 3HG1 VAL 23 3HG1 VAL 23 -0.992 -3.019 -5.641 149 1HG2 VAL 23 1HG2 VAL 23 -3.091 -3.559 -4.100 150 2HG2 VAL 23 2HG2 VAL 23 -3.117 -2.837 -2.491 151 3HG2 VAL 23 3HG2 VAL 23 -1.943 -4.097 -2.873 152 H CYS 24 H CYS 24 -1.541 0.833 -2.609 153 HA CYS 24 HA CYS 24 -2.659 0.973 0.083 154 1HB CYS 24 2HB CYS 24 -1.837 2.719 -1.979 155 2HB CYS 24 1HB CYS 24 -3.549 3.052 -1.722 156 H SER 25 H SER 25 -4.803 0.780 0.689 157 HA SER 25 HA SER 25 -6.667 -0.473 -1.212 158 1HB SER 25 2HB SER 25 -6.225 -1.022 1.277 159 2HB SER 25 1HB SER 25 -7.193 0.404 1.633 160 HG SER 25 HG SER 25 -8.934 -0.624 1.009 161 H ARG 26 H ARG 26 -8.954 0.387 -1.337 162 HA ARG 26 HA ARG 26 -8.913 3.332 -1.757 163 1HB ARG 26 2HB ARG 26 -10.663 1.015 -2.595 164 2HB ARG 26 1HB ARG 26 -11.171 2.683 -2.854 165 1HG ARG 26 2HG ARG 26 -9.614 3.049 -4.489 166 2HG ARG 26 1HG ARG 26 -8.404 2.031 -3.707 167 1HD ARG 26 2HD ARG 26 -8.899 0.528 -5.357 168 2HD ARG 26 1HD ARG 26 -10.365 0.198 -4.412 169 HE ARG 26 HE ARG 26 -11.431 2.094 -5.761 170 1HH1 ARG 26 2HH1 ARG 26 -9.009 2.944 -7.267 171 2HH1 ARG 26 1HH1 ARG 26 -9.182 2.100 -8.769 172 1HH2 ARG 26 1HH2 ARG 26 -11.536 -0.144 -7.541 173 2HH2 ARG 26 2HH2 ARG 26 -10.617 0.346 -8.925 174 H LYS 27 H LYS 27 -10.728 0.841 0.049 175 HA LYS 27 HA LYS 27 -12.588 2.742 1.248 176 1HB LYS 27 2HB LYS 27 -11.820 -0.126 1.887 177 2HB LYS 27 1HB LYS 27 -13.199 0.717 2.592 178 1HG LYS 27 2HG LYS 27 -12.842 0.452 -0.399 179 2HG LYS 27 1HG LYS 27 -13.686 -0.768 0.554 180 1HD LYS 27 2HD LYS 27 -15.401 0.723 1.175 181 2HD LYS 27 1HD LYS 27 -14.438 2.143 0.768 182 1HE LYS 27 2HE LYS 27 -15.369 2.147 -1.297 183 2HE LYS 27 1HE LYS 27 -14.661 0.549 -1.601 184 1HZ LYS 27 1HZ LYS 27 -17.076 0.451 -1.728 185 2HZ LYS 27 2HZ LYS 27 -17.207 1.076 -0.153 186 3HZ LYS 27 3HZ LYS 27 -16.517 -0.455 -0.407 187 H HIS 28 H HIS 28 -9.625 1.084 2.301 188 HA HIS 28 HA HIS 28 -9.695 2.455 4.932 189 1HB HIS 28 2HB HIS 28 -7.895 0.387 3.635 190 2HB HIS 28 1HB HIS 28 -7.647 1.000 5.269 191 HD1 HIS 28 HD1 HIS 28 -10.313 1.001 6.536 192 HD2 HIS 28 HD2 HIS 28 -9.209 -2.024 3.887 193 HE1 HIS 28 HE1 HIS 28 -11.822 -0.971 7.031 194 H ALA 29 H ALA 29 -8.170 2.782 1.806 195 HA ALA 29 HA ALA 29 -6.612 4.343 0.980 196 1HB ALA 29 1HB ALA 29 -7.076 5.889 3.526 197 2HB ALA 29 2HB ALA 29 -8.375 5.708 2.348 198 3HB ALA 29 3HB ALA 29 -6.870 6.500 1.885 199 H TRP 30 H TRP 30 -5.521 2.140 2.438 200 HA TRP 30 HA TRP 30 -2.989 3.375 3.371 201 1HB TRP 30 2HB TRP 30 -3.082 2.403 5.519 202 2HB TRP 30 1HB TRP 30 -4.727 2.966 5.262 203 HD1 TRP 30 HD1 TRP 30 -5.630 0.524 3.344 204 HE1 TRP 30 HE1 TRP 30 -6.080 -1.774 4.413 205 HE3 TRP 30 HE3 TRP 30 -3.014 1.054 7.691 206 HZ2 TRP 30 HZ2 TRP 30 -5.423 -3.200 6.805 207 HZ3 TRP 30 HZ3 TRP 30 -2.946 -0.784 9.349 208 HH2 TRP 30 HH2 TRP 30 -4.145 -2.910 8.912 209 H CYS 31 H CYS 31 -1.234 1.705 3.546 210 HA CYS 31 HA CYS 31 -1.149 -0.005 1.257 211 1HB CYS 31 2HB CYS 31 0.750 1.054 2.570 212 2HB CYS 31 1HB CYS 31 0.514 -0.207 3.781 213 H LYS 32 H LYS 32 -1.673 -2.142 0.991 214 HA LYS 32 HA LYS 32 -2.213 -3.864 3.353 215 1HB LYS 32 2HB LYS 32 -4.448 -4.445 2.381 216 2HB LYS 32 1HB LYS 32 -4.337 -2.750 2.851 217 1HG LYS 32 2HG LYS 32 -4.439 -2.003 0.690 218 2HG LYS 32 1HG LYS 32 -3.518 -3.371 0.064 219 1HD LYS 32 2HD LYS 32 -5.582 -4.802 0.549 220 2HD LYS 32 1HD LYS 32 -6.453 -3.286 0.786 221 1HE LYS 32 2HE LYS 32 -5.990 -2.578 -1.484 222 2HE LYS 32 1HE LYS 32 -4.895 -3.951 -1.737 223 1HZ LYS 32 1HZ LYS 32 -6.734 -5.461 -1.314 224 2HZ LYS 32 2HZ LYS 32 -7.113 -4.424 -2.605 225 3HZ LYS 32 3HZ LYS 32 -7.787 -4.153 -1.070 226 H TYR 33 H TYR 33 -2.810 -6.178 2.435 227 HA TYR 33 HA TYR 33 -0.715 -6.872 0.479 228 1HB TYR 33 2HB TYR 33 -1.972 -8.048 2.716 229 2HB TYR 33 1HB TYR 33 -2.430 -9.048 1.338 230 HD1 TYR 33 HD1 TYR 33 -0.478 -9.643 -0.339 231 HD2 TYR 33 HD2 TYR 33 0.108 -8.390 3.729 232 HE1 TYR 33 HE1 TYR 33 1.787 -10.650 -0.354 233 HE2 TYR 33 HE2 TYR 33 2.372 -9.397 3.714 234 HH TYR 33 HH TYR 33 4.052 -10.103 1.121 235 H GLU 34 H GLU 34 -1.096 -7.251 -1.656 236 HA GLU 34 HA GLU 34 -3.822 -7.015 -2.735 237 1HB GLU 34 2HB GLU 34 -2.642 -6.986 -4.867 238 2HB GLU 34 1HB GLU 34 -1.754 -5.979 -3.726 239 1HG GLU 34 2HG GLU 34 -0.124 -7.713 -3.345 240 2HG GLU 34 1HG GLU 34 -1.082 -8.889 -4.245 241 H ILE 35 H ILE 35 -4.279 -8.700 -4.634 242 HA ILE 35 HA ILE 35 -4.461 -11.343 -3.393 243 HB ILE 35 HB ILE 35 -5.663 -11.856 -5.534 244 1HG1 ILE 35 2HG1 ILE 35 -5.695 -9.053 -6.414 245 2HG1 ILE 35 1HG1 ILE 35 -4.113 -9.812 -6.578 246 1HG2 ILE 35 1HG2 ILE 35 -7.560 -10.493 -5.052 247 2HG2 ILE 35 2HG2 ILE 35 -6.553 -9.198 -4.404 248 3HG2 ILE 35 3HG2 ILE 35 -6.722 -10.712 -3.515 249 1HD1 ILE 35 1HD1 ILE 35 -4.903 -11.453 -8.048 250 2HD1 ILE 35 2HD1 ILE 35 -5.844 -10.042 -8.532 251 3HD1 ILE 35 3HD1 ILE 35 -6.571 -11.275 -7.503 252 1HN NH2 36 1HN NH2 36 -1.229 -11.292 -5.944 253 2HN NH2 36 2HN NH2 36 -2.383 -9.955 -6.137 Start of MODEL 5 1 1H GLU 1 1H GLU 1 10.202 9.452 -0.830 2 2H GLU 1 2H GLU 1 10.430 10.632 0.370 3 3H GLU 1 3H GLU 1 8.863 10.267 -0.178 4 HA GLU 1 HA GLU 1 10.654 8.422 1.332 5 1HB GLU 1 2HB GLU 1 9.524 10.530 2.382 6 2HB GLU 1 1HB GLU 1 8.022 9.623 2.192 7 1HG GLU 1 2HG GLU 1 8.616 8.039 3.762 8 2HG GLU 1 1HG GLU 1 10.342 8.217 3.445 9 H CYS 2 H CYS 2 9.958 6.294 1.332 10 HA CYS 2 HA CYS 2 7.494 5.658 -0.253 11 1HB CYS 2 2HB CYS 2 9.761 4.876 -1.028 12 2HB CYS 2 1HB CYS 2 9.885 3.926 0.453 13 H LEU 3 H LEU 3 6.034 4.067 0.591 14 HA LEU 3 HA LEU 3 6.133 3.768 3.562 15 1HB LEU 3 2HB LEU 3 3.937 3.423 1.489 16 2HB LEU 3 1HB LEU 3 3.707 3.237 3.227 17 HG LEU 3 HG LEU 3 4.815 5.774 1.999 18 1HD1 LEU 3 1HD1 LEU 3 2.478 5.154 1.176 19 2HD1 LEU 3 2HD1 LEU 3 2.611 6.705 2.006 20 3HD1 LEU 3 3HD1 LEU 3 1.948 5.305 2.851 21 1HD2 LEU 3 1HD2 LEU 3 4.063 6.726 4.170 22 2HD2 LEU 3 2HD2 LEU 3 5.247 5.439 4.397 23 3HD2 LEU 3 3HD2 LEU 3 3.535 5.121 4.675 24 H GLY 4 H GLY 4 6.561 1.761 4.428 25 1HA GLY 4 2HA GLY 4 7.088 -0.506 2.660 26 2HA GLY 4 1HA GLY 4 7.239 -0.507 4.417 27 H PHE 5 H PHE 5 6.142 -2.630 4.330 28 HA PHE 5 HA PHE 5 3.397 -2.833 3.373 29 1HB PHE 5 2HB PHE 5 4.849 -4.770 3.425 30 2HB PHE 5 1HB PHE 5 5.179 -4.539 5.142 31 HD1 PHE 5 HD1 PHE 5 2.226 -4.936 2.843 32 HD2 PHE 5 HD2 PHE 5 3.985 -5.837 6.658 33 HE1 PHE 5 HE1 PHE 5 0.261 -6.332 3.419 34 HE2 PHE 5 HE2 PHE 5 2.018 -7.232 7.233 35 HZ PHE 5 HZ PHE 5 0.156 -7.479 5.613 36 H GLY 6 H GLY 6 1.506 -2.591 4.560 37 1HA GLY 6 2HA GLY 6 0.099 -2.182 6.403 38 2HA GLY 6 1HA GLY 6 1.468 -2.505 7.466 39 H LYS 7 H LYS 7 0.954 -0.054 4.912 40 HA LYS 7 HA LYS 7 1.473 2.071 6.968 41 1HB LYS 7 2HB LYS 7 2.597 1.580 4.210 42 2HB LYS 7 1HB LYS 7 2.594 3.203 4.898 43 1HG LYS 7 2HG LYS 7 3.551 1.227 6.815 44 2HG LYS 7 1HG LYS 7 4.519 1.227 5.341 45 1HD LYS 7 2HD LYS 7 5.319 3.342 5.703 46 2HD LYS 7 1HD LYS 7 3.810 3.898 6.428 47 1HE LYS 7 2HE LYS 7 4.337 2.836 8.534 48 2HE LYS 7 1HE LYS 7 5.737 2.008 7.824 49 1HZ LYS 7 1HZ LYS 7 5.382 4.959 7.963 50 2HZ LYS 7 2HZ LYS 7 6.729 4.142 7.322 51 3HZ LYS 7 3HZ LYS 7 6.388 4.052 8.984 52 H GLY 8 H GLY 8 -0.393 3.264 7.126 53 1HA GLY 8 2HA GLY 8 -2.544 3.220 5.276 54 2HA GLY 8 1HA GLY 8 -2.312 4.459 6.506 55 H CYS 9 H CYS 9 -2.584 4.025 3.247 56 HA CYS 9 HA CYS 9 -1.204 6.617 2.689 57 1HB CYS 9 2HB CYS 9 0.207 5.627 1.205 58 2HB CYS 9 1HB CYS 9 -0.231 4.117 1.996 59 H ASN 10 H ASN 10 -1.910 7.183 0.205 60 HA ASN 10 HA ASN 10 -4.867 7.261 0.272 61 1HB ASN 10 2HB ASN 10 -2.689 8.563 -1.382 62 2HB ASN 10 1HB ASN 10 -4.402 8.815 -1.713 63 1HD2 ASN 10 1HD2 ASN 10 -1.775 9.648 0.452 64 2HD2 ASN 10 2HD2 ASN 10 -2.665 10.707 1.436 65 HA PRO 11 HA PRO 11 -5.263 3.958 -2.653 66 1HB PRO 11 2HB PRO 11 -7.825 4.479 -3.484 67 2HB PRO 11 1HB PRO 11 -7.445 3.732 -1.920 68 1HG PRO 11 2HG PRO 11 -8.147 6.555 -2.546 69 2HG PRO 11 1HG PRO 11 -8.625 5.552 -1.168 70 1HD PRO 11 2HD PRO 11 -6.675 7.443 -1.029 71 2HD PRO 11 1HD PRO 11 -6.694 5.986 -0.010 72 H SER 12 H SER 12 -6.398 7.215 -3.658 73 HA SER 12 HA SER 12 -6.118 6.744 -6.498 74 1HB SER 12 2HB SER 12 -6.344 9.218 -6.583 75 2HB SER 12 1HB SER 12 -7.526 8.508 -5.489 76 HG SER 12 HG SER 12 -6.635 9.589 -3.927 77 H ASN 13 H ASN 13 -3.984 8.053 -3.988 78 HA ASN 13 HA ASN 13 -1.720 8.097 -5.959 79 1HB ASN 13 2HB ASN 13 -2.439 9.749 -3.528 80 2HB ASN 13 1HB ASN 13 -0.796 9.735 -4.167 81 1HD2 ASN 13 1HD2 ASN 13 -0.446 10.656 -6.335 82 2HD2 ASN 13 2HD2 ASN 13 -1.613 11.655 -7.056 83 H ASP 14 H ASP 14 -1.762 5.673 -5.318 84 HA ASP 14 HA ASP 14 -1.065 4.794 -2.683 85 1HB ASP 14 2HB ASP 14 -1.953 3.239 -4.255 86 2HB ASP 14 1HB ASP 14 -0.760 3.678 -5.478 87 H GLN 15 H GLN 15 0.827 5.092 -1.603 88 HA GLN 15 HA GLN 15 3.319 5.639 -3.183 89 1HB GLN 15 2HB GLN 15 2.075 7.313 -1.513 90 2HB GLN 15 1HB GLN 15 2.979 6.398 -0.306 91 1HG GLN 15 2HG GLN 15 5.079 6.897 -1.423 92 2HG GLN 15 1HG GLN 15 4.227 7.686 -2.750 93 1HE2 GLN 15 1HE2 GLN 15 5.335 8.087 0.568 94 2HE2 GLN 15 2HE2 GLN 15 4.876 9.714 0.723 95 H CYS 16 H CYS 16 2.252 2.955 -2.369 96 HA CYS 16 HA CYS 16 3.899 2.040 -0.121 97 1HB CYS 16 2HB CYS 16 2.213 0.646 -2.230 98 2HB CYS 16 1HB CYS 16 2.968 -0.184 -0.870 99 H CYS 17 H CYS 17 5.777 0.726 -0.307 100 HA CYS 17 HA CYS 17 7.516 1.235 -2.549 101 1HB CYS 17 2HB CYS 17 7.513 -0.227 0.021 102 2HB CYS 17 1HB CYS 17 8.609 -0.888 -1.190 103 H LYS 18 H LYS 18 7.943 -0.023 -4.360 104 HA LYS 18 HA LYS 18 6.102 -2.272 -4.924 105 1HB LYS 18 2HB LYS 18 7.161 -0.169 -6.360 106 2HB LYS 18 1HB LYS 18 8.152 -1.524 -6.902 107 1HG LYS 18 2HG LYS 18 5.814 -2.753 -7.070 108 2HG LYS 18 1HG LYS 18 5.198 -1.103 -7.184 109 1HD LYS 18 2HD LYS 18 5.751 -1.110 -9.366 110 2HD LYS 18 1HD LYS 18 7.446 -1.202 -8.890 111 1HE LYS 18 2HE LYS 18 5.806 -3.726 -8.927 112 2HE LYS 18 1HE LYS 18 6.455 -3.083 -10.448 113 1HZ LYS 18 1HZ LYS 18 8.003 -3.662 -7.974 114 2HZ LYS 18 2HZ LYS 18 8.642 -2.921 -9.364 115 3HZ LYS 18 3HZ LYS 18 8.083 -4.524 -9.433 116 H SER 19 H SER 19 8.731 -2.339 -3.113 117 HA SER 19 HA SER 19 10.512 -4.201 -4.446 118 1HB SER 19 2HB SER 19 10.803 -2.587 -2.382 119 2HB SER 19 1HB SER 19 10.180 -3.954 -1.461 120 HG SER 19 HG SER 19 12.191 -4.584 -1.539 121 H SER 20 H SER 20 7.819 -4.560 -2.125 122 HA SER 20 HA SER 20 7.877 -7.522 -2.614 123 1HB SER 20 2HB SER 20 7.084 -5.818 -0.238 124 2HB SER 20 1HB SER 20 6.694 -7.531 -0.343 125 HG SER 20 HG SER 20 8.724 -8.008 0.005 126 H ASN 21 H ASN 21 6.500 -5.488 -4.290 127 HA ASN 21 HA ASN 21 4.396 -5.093 -5.269 128 1HB ASN 21 2HB ASN 21 4.310 -7.906 -4.181 129 2HB ASN 21 1HB ASN 21 2.921 -7.237 -5.038 130 1HD2 ASN 21 1HD2 ASN 21 6.388 -8.044 -5.422 131 2HD2 ASN 21 2HD2 ASN 21 6.352 -8.080 -7.118 132 H LEU 22 H LEU 22 4.263 -3.482 -3.289 133 HA LEU 22 HA LEU 22 2.049 -4.256 -1.431 134 1HB LEU 22 2HB LEU 22 4.105 -2.020 -1.424 135 2HB LEU 22 1HB LEU 22 2.873 -2.236 -0.183 136 HG LEU 22 HG LEU 22 4.786 -4.458 -0.911 137 1HD1 LEU 22 1HD1 LEU 22 6.238 -2.670 -0.247 138 2HD1 LEU 22 2HD1 LEU 22 6.048 -3.702 1.170 139 3HD1 LEU 22 3HD1 LEU 22 5.154 -2.186 1.057 140 1HD2 LEU 22 1HD2 LEU 22 4.202 -5.206 1.386 141 2HD2 LEU 22 2HD2 LEU 22 2.770 -5.059 0.367 142 3HD2 LEU 22 3HD2 LEU 22 3.138 -3.810 1.556 143 H VAL 23 H VAL 23 0.053 -3.340 -1.714 144 HA VAL 23 HA VAL 23 -0.163 -0.853 -3.377 145 HB VAL 23 HB VAL 23 -2.234 -1.941 -4.358 146 1HG1 VAL 23 1HG1 VAL 23 0.302 -3.530 -4.821 147 2HG1 VAL 23 2HG1 VAL 23 0.042 -1.907 -5.462 148 3HG1 VAL 23 3HG1 VAL 23 -1.003 -3.233 -5.970 149 1HG2 VAL 23 1HG2 VAL 23 -2.550 -4.324 -4.100 150 2HG2 VAL 23 2HG2 VAL 23 -2.453 -3.630 -2.482 151 3HG2 VAL 23 3HG2 VAL 23 -1.062 -4.473 -3.164 152 H CYS 24 H CYS 24 -1.839 0.572 -2.726 153 HA CYS 24 HA CYS 24 -2.750 0.285 0.038 154 1HB CYS 24 2HB CYS 24 -2.338 2.342 -1.891 155 2HB CYS 24 1HB CYS 24 -4.024 2.431 -1.385 156 H SER 25 H SER 25 -4.573 -0.820 0.592 157 HA SER 25 HA SER 25 -6.565 -1.573 -1.451 158 1HB SER 25 2HB SER 25 -6.123 -2.126 1.493 159 2HB SER 25 1HB SER 25 -7.548 -2.716 0.641 160 HG SER 25 HG SER 25 -6.285 -4.289 0.056 161 H ARG 26 H ARG 26 -8.976 -1.360 -0.629 162 HA ARG 26 HA ARG 26 -9.424 1.515 0.007 163 1HB ARG 26 2HB ARG 26 -10.550 -0.423 -1.733 164 2HB ARG 26 1HB ARG 26 -11.800 -0.033 -0.550 165 1HG ARG 26 2HG ARG 26 -10.807 2.456 -1.108 166 2HG ARG 26 1HG ARG 26 -10.622 1.655 -2.670 167 1HD ARG 26 2HD ARG 26 -12.879 1.563 -3.023 168 2HD ARG 26 1HD ARG 26 -13.220 1.159 -1.328 169 HE ARG 26 HE ARG 26 -12.495 3.934 -2.204 170 1HH1 ARG 26 2HH1 ARG 26 -12.580 3.135 0.745 171 2HH1 ARG 26 1HH1 ARG 26 -14.161 3.685 1.193 172 1HH2 ARG 26 1HH2 ARG 26 -15.267 4.020 -2.082 173 2HH2 ARG 26 2HH2 ARG 26 -15.683 4.187 -0.409 174 H LYS 27 H LYS 27 -10.288 -1.742 1.187 175 HA LYS 27 HA LYS 27 -12.015 -0.857 3.327 176 1HB LYS 27 2HB LYS 27 -11.860 -3.138 2.222 177 2HB LYS 27 1HB LYS 27 -10.369 -3.395 3.127 178 1HG LYS 27 2HG LYS 27 -11.460 -3.637 5.127 179 2HG LYS 27 1HG LYS 27 -12.716 -2.473 4.703 180 1HD LYS 27 2HD LYS 27 -12.587 -5.092 3.237 181 2HD LYS 27 1HD LYS 27 -13.306 -5.037 4.847 182 1HE LYS 27 2HE LYS 27 -14.768 -3.122 4.018 183 2HE LYS 27 1HE LYS 27 -14.183 -3.494 2.384 184 1HZ LYS 27 1HZ LYS 27 -15.467 -5.427 4.246 185 2HZ LYS 27 2HZ LYS 27 -14.885 -5.790 2.691 186 3HZ LYS 27 3HZ LYS 27 -16.203 -4.737 2.883 187 H HIS 28 H HIS 28 -8.549 -1.635 3.146 188 HA HIS 28 HA HIS 28 -8.189 -0.900 6.011 189 1HB HIS 28 2HB HIS 28 -6.406 -2.153 3.899 190 2HB HIS 28 1HB HIS 28 -5.890 -1.831 5.554 191 HD1 HIS 28 HD1 HIS 28 -7.357 -3.071 7.471 192 HD2 HIS 28 HD2 HIS 28 -7.812 -4.531 3.593 193 HE1 HIS 28 HE1 HIS 28 -8.433 -5.354 7.687 194 H ALA 29 H ALA 29 -7.527 0.284 2.764 195 HA ALA 29 HA ALA 29 -6.586 2.303 2.001 196 1HB ALA 29 1HB ALA 29 -6.866 3.301 4.831 197 2HB ALA 29 2HB ALA 29 -8.301 2.942 3.870 198 3HB ALA 29 3HB ALA 29 -7.155 4.166 3.322 199 H TRP 30 H TRP 30 -4.730 0.273 2.883 200 HA TRP 30 HA TRP 30 -2.409 2.007 3.499 201 1HB TRP 30 2HB TRP 30 -1.829 0.874 5.499 202 2HB TRP 30 1HB TRP 30 -3.561 1.130 5.629 203 HD1 TRP 30 HD1 TRP 30 -4.058 -1.417 3.459 204 HE1 TRP 30 HE1 TRP 30 -3.989 -3.780 4.476 205 HE3 TRP 30 HE3 TRP 30 -1.571 -0.429 7.801 206 HZ2 TRP 30 HZ2 TRP 30 -3.013 -5.084 6.825 207 HZ3 TRP 30 HZ3 TRP 30 -1.089 -2.247 9.414 208 HH2 TRP 30 HH2 TRP 30 -1.805 -4.570 8.934 209 H CYS 31 H CYS 31 -0.317 0.578 3.430 210 HA CYS 31 HA CYS 31 -0.206 -0.768 0.893 211 1HB CYS 31 2HB CYS 31 1.678 -0.760 3.276 212 2HB CYS 31 1HB CYS 31 2.108 -1.324 1.664 213 H LYS 32 H LYS 32 -1.087 -2.745 0.500 214 HA LYS 32 HA LYS 32 -0.912 -4.853 2.634 215 1HB LYS 32 2HB LYS 32 -3.178 -3.682 1.976 216 2HB LYS 32 1HB LYS 32 -3.085 -4.719 0.553 217 1HG LYS 32 2HG LYS 32 -3.031 -6.709 1.914 218 2HG LYS 32 1HG LYS 32 -2.853 -5.759 3.389 219 1HD LYS 32 2HD LYS 32 -5.084 -5.506 3.565 220 2HD LYS 32 1HD LYS 32 -5.187 -4.886 1.917 221 1HE LYS 32 2HE LYS 32 -5.351 -7.120 1.002 222 2HE LYS 32 1HE LYS 32 -4.995 -7.846 2.581 223 1HZ LYS 32 1HZ LYS 32 -7.396 -7.758 2.127 224 2HZ LYS 32 2HZ LYS 32 -7.309 -6.066 2.007 225 3HZ LYS 32 3HZ LYS 32 -6.974 -6.836 3.485 226 H TYR 33 H TYR 33 -0.944 -7.106 1.677 227 HA TYR 33 HA TYR 33 0.985 -7.378 -0.462 228 1HB TYR 33 2HB TYR 33 0.423 -8.897 1.566 229 2HB TYR 33 1HB TYR 33 -0.883 -9.523 0.559 230 HD1 TYR 33 HD1 TYR 33 2.807 -9.013 0.697 231 HD2 TYR 33 HD2 TYR 33 -0.454 -11.074 -1.188 232 HE1 TYR 33 HE1 TYR 33 4.418 -10.485 -0.479 233 HE2 TYR 33 HE2 TYR 33 1.155 -12.548 -2.365 234 HH TYR 33 HH TYR 33 3.962 -13.190 -1.587 235 H GLU 34 H GLU 34 0.635 -8.167 -2.603 236 HA GLU 34 HA GLU 34 -1.827 -7.332 -3.892 237 1HB GLU 34 2HB GLU 34 0.485 -7.306 -4.863 238 2HB GLU 34 1HB GLU 34 0.453 -9.069 -4.897 239 1HG GLU 34 2HG GLU 34 -1.947 -8.012 -6.118 240 2HG GLU 34 1HG GLU 34 -0.518 -7.311 -6.881 241 H ILE 35 H ILE 35 -3.667 -8.533 -4.175 242 HA ILE 35 HA ILE 35 -3.696 -11.372 -3.324 243 HB ILE 35 HB ILE 35 -5.827 -9.374 -4.164 244 1HG1 ILE 35 2HG1 ILE 35 -5.682 -10.562 -1.436 245 2HG1 ILE 35 1HG1 ILE 35 -4.414 -9.411 -1.855 246 1HG2 ILE 35 1HG2 ILE 35 -7.379 -11.124 -3.118 247 2HG2 ILE 35 2HG2 ILE 35 -6.029 -12.252 -3.249 248 3HG2 ILE 35 3HG2 ILE 35 -6.715 -11.526 -4.702 249 1HD1 ILE 35 1HD1 ILE 35 -7.315 -8.779 -2.380 250 2HD1 ILE 35 2HD1 ILE 35 -5.956 -7.664 -2.234 251 3HD1 ILE 35 3HD1 ILE 35 -6.589 -8.474 -0.801 252 1HN NH2 36 1HN NH2 36 -4.251 -13.042 -6.363 253 2HN NH2 36 2HN NH2 36 -4.670 -13.038 -4.636 Start of MODEL 6 1 1H GLU 1 1H GLU 1 13.525 6.916 1.343 2 2H GLU 1 2H GLU 1 12.348 6.727 0.132 3 3H GLU 1 3H GLU 1 13.220 5.381 0.691 4 HA GLU 1 HA GLU 1 12.199 5.622 2.897 5 1HB GLU 1 2HB GLU 1 11.187 8.040 1.441 6 2HB GLU 1 1HB GLU 1 10.153 7.322 2.675 7 1HG GLU 1 2HG GLU 1 11.856 7.578 4.362 8 2HG GLU 1 1HG GLU 1 13.052 8.058 3.157 9 H CYS 2 H CYS 2 11.087 3.706 2.805 10 HA CYS 2 HA CYS 2 9.050 3.329 0.636 11 1HB CYS 2 2HB CYS 2 11.072 1.813 0.799 12 2HB CYS 2 1HB CYS 2 10.462 1.268 2.362 13 H LEU 3 H LEU 3 6.994 2.470 1.217 14 HA LEU 3 HA LEU 3 6.208 2.985 4.045 15 1HB LEU 3 2HB LEU 3 4.705 2.648 1.432 16 2HB LEU 3 1HB LEU 3 3.912 2.922 2.984 17 HG LEU 3 HG LEU 3 6.042 4.767 1.869 18 1HD1 LEU 3 1HD1 LEU 3 4.167 4.803 0.323 19 2HD1 LEU 3 2HD1 LEU 3 4.107 6.267 1.304 20 3HD1 LEU 3 3HD1 LEU 3 3.019 4.925 1.656 21 1HD2 LEU 3 1HD2 LEU 3 5.725 4.923 4.282 22 2HD2 LEU 3 2HD2 LEU 3 3.975 5.012 4.082 23 3HD2 LEU 3 3HD2 LEU 3 4.995 6.339 3.526 24 H GLY 4 H GLY 4 5.868 1.272 5.388 25 1HA GLY 4 2HA GLY 4 5.998 -1.465 4.385 26 2HA GLY 4 1HA GLY 4 5.785 -0.987 6.069 27 H PHE 5 H PHE 5 4.037 -2.394 6.480 28 HA PHE 5 HA PHE 5 1.649 -2.323 4.748 29 1HB PHE 5 2HB PHE 5 2.361 -4.434 5.671 30 2HB PHE 5 1HB PHE 5 2.429 -3.763 7.300 31 HD1 PHE 5 HD1 PHE 5 -0.105 -3.795 4.513 32 HD2 PHE 5 HD2 PHE 5 0.710 -4.499 8.673 33 HE1 PHE 5 HE1 PHE 5 -2.479 -4.405 4.877 34 HE2 PHE 5 HE2 PHE 5 -1.666 -5.110 9.034 35 HZ PHE 5 HZ PHE 5 -3.260 -5.062 7.135 36 H GLY 6 H GLY 6 -0.289 -1.318 5.274 37 1HA GLY 6 2HA GLY 6 -1.822 0.032 6.423 38 2HA GLY 6 1HA GLY 6 -0.923 -0.299 7.903 39 H LYS 7 H LYS 7 0.378 1.156 4.939 40 HA LYS 7 HA LYS 7 0.929 3.661 6.500 41 1HB LYS 7 2HB LYS 7 2.462 2.164 4.355 42 2HB LYS 7 1HB LYS 7 2.893 3.794 4.872 43 1HG LYS 7 2HG LYS 7 2.495 1.760 7.014 44 2HG LYS 7 1HG LYS 7 3.946 1.609 6.026 45 1HD LYS 7 2HD LYS 7 4.263 4.145 6.474 46 2HD LYS 7 1HD LYS 7 3.102 3.910 7.781 47 1HE LYS 7 2HE LYS 7 5.465 2.051 7.542 48 2HE LYS 7 1HE LYS 7 5.653 3.634 8.321 49 1HZ LYS 7 1HZ LYS 7 3.730 3.122 9.718 50 2HZ LYS 7 2HZ LYS 7 4.968 1.980 9.939 51 3HZ LYS 7 3HZ LYS 7 3.604 1.588 9.005 52 H GLY 8 H GLY 8 -0.059 5.466 5.678 53 1HA GLY 8 2HA GLY 8 -1.910 5.544 3.613 54 2HA GLY 8 1HA GLY 8 -1.003 6.964 4.124 55 H CYS 9 H CYS 9 -1.832 5.504 1.432 56 HA CYS 9 HA CYS 9 0.620 6.314 -0.035 57 1HB CYS 9 2HB CYS 9 1.001 3.977 0.479 58 2HB CYS 9 1HB CYS 9 -0.642 3.552 0.003 59 H ASN 10 H ASN 10 0.150 6.668 -2.333 60 HA ASN 10 HA ASN 10 -2.684 7.360 -2.832 61 1HB ASN 10 2HB ASN 10 -0.010 7.867 -4.129 62 2HB ASN 10 1HB ASN 10 -1.498 8.217 -5.009 63 1HD2 ASN 10 1HD2 ASN 10 0.429 9.140 -2.169 64 2HD2 ASN 10 2HD2 ASN 10 -0.411 10.582 -1.856 65 HA PRO 11 HA PRO 11 -3.459 3.661 -5.135 66 1HB PRO 11 2HB PRO 11 -5.596 4.536 -6.614 67 2HB PRO 11 1HB PRO 11 -5.711 4.123 -4.892 68 1HG PRO 11 2HG PRO 11 -5.472 6.798 -6.183 69 2HG PRO 11 1HG PRO 11 -6.466 6.295 -4.806 70 1HD PRO 11 2HD PRO 11 -4.138 7.655 -4.517 71 2HD PRO 11 1HD PRO 11 -4.734 6.494 -3.309 72 H SER 12 H SER 12 -3.448 6.754 -6.954 73 HA SER 12 HA SER 12 -2.840 5.548 -9.519 74 1HB SER 12 2HB SER 12 -2.690 8.327 -8.335 75 2HB SER 12 1HB SER 12 -2.246 8.006 -10.008 76 HG SER 12 HG SER 12 -4.286 7.799 -10.482 77 H ASN 13 H ASN 13 -0.865 7.341 -7.144 78 HA ASN 13 HA ASN 13 1.618 6.376 -8.493 79 1HB ASN 13 2HB ASN 13 0.774 8.675 -6.792 80 2HB ASN 13 1HB ASN 13 2.430 8.111 -6.570 81 1HD2 ASN 13 1HD2 ASN 13 3.959 8.669 -8.178 82 2HD2 ASN 13 2HD2 ASN 13 3.560 9.468 -9.622 83 H ASP 14 H ASP 14 0.411 4.292 -7.249 84 HA ASP 14 HA ASP 14 1.023 3.996 -4.442 85 1HB ASP 14 2HB ASP 14 0.452 1.617 -4.904 86 2HB ASP 14 1HB ASP 14 -0.731 2.725 -5.592 87 H GLN 15 H GLN 15 3.037 3.818 -3.609 88 HA GLN 15 HA GLN 15 5.098 2.250 -5.112 89 1HB GLN 15 2HB GLN 15 5.192 5.058 -4.003 90 2HB GLN 15 1HB GLN 15 6.676 4.129 -4.220 91 1HG GLN 15 2HG GLN 15 6.406 4.005 -6.556 92 2HG GLN 15 1HG GLN 15 4.686 4.386 -6.469 93 1HE2 GLN 15 1HE2 GLN 15 7.817 5.760 -6.907 94 2HE2 GLN 15 2HE2 GLN 15 7.357 7.391 -6.813 95 H CYS 16 H CYS 16 3.674 1.089 -3.065 96 HA CYS 16 HA CYS 16 4.910 1.500 -0.447 97 1HB CYS 16 2HB CYS 16 2.662 0.180 -1.611 98 2HB CYS 16 1HB CYS 16 3.590 -1.040 -0.741 99 H CYS 17 H CYS 17 5.796 -0.664 0.640 100 HA CYS 17 HA CYS 17 8.233 -1.391 -0.747 101 1HB CYS 17 2HB CYS 17 6.871 -1.877 1.829 102 2HB CYS 17 1HB CYS 17 7.929 -3.189 1.313 103 H LYS 18 H LYS 18 8.406 -2.915 -2.330 104 HA LYS 18 HA LYS 18 6.208 -4.755 -2.938 105 1HB LYS 18 2HB LYS 18 8.029 -3.461 -4.412 106 2HB LYS 18 1HB LYS 18 8.925 -4.961 -4.171 107 1HG LYS 18 2HG LYS 18 7.743 -5.693 -5.972 108 2HG LYS 18 1HG LYS 18 6.443 -5.927 -4.803 109 1HD LYS 18 2HD LYS 18 5.859 -3.441 -5.277 110 2HD LYS 18 1HD LYS 18 6.860 -3.634 -6.716 111 1HE LYS 18 2HE LYS 18 5.393 -5.809 -7.082 112 2HE LYS 18 1HE LYS 18 4.239 -4.944 -6.047 113 1HZ LYS 18 1HZ LYS 18 3.925 -4.334 -8.368 114 2HZ LYS 18 2HZ LYS 18 5.549 -3.850 -8.486 115 3HZ LYS 18 3HZ LYS 18 4.476 -3.000 -7.479 116 H SER 19 H SER 19 8.919 -4.905 -0.837 117 HA SER 19 HA SER 19 9.765 -7.618 -1.085 118 1HB SER 19 2HB SER 19 9.659 -5.589 1.149 119 2HB SER 19 1HB SER 19 10.323 -7.198 1.417 120 HG SER 19 HG SER 19 12.001 -6.706 0.219 121 H SER 20 H SER 20 7.101 -6.170 0.811 122 HA SER 20 HA SER 20 6.259 -8.867 1.750 123 1HB SER 20 2HB SER 20 6.474 -6.806 3.222 124 2HB SER 20 1HB SER 20 5.104 -6.128 2.349 125 HG SER 20 HG SER 20 3.811 -7.449 3.372 126 H ASN 21 H ASN 21 5.822 -7.320 -1.075 127 HA ASN 21 HA ASN 21 4.141 -7.272 -2.720 128 1HB ASN 21 2HB ASN 21 3.969 -9.745 -1.145 129 2HB ASN 21 1HB ASN 21 2.457 -9.348 -1.961 130 1HD2 ASN 21 1HD2 ASN 21 5.996 -9.548 -2.667 131 2HD2 ASN 21 2HD2 ASN 21 5.790 -10.084 -4.265 132 H LEU 22 H LEU 22 3.623 -5.252 -1.067 133 HA LEU 22 HA LEU 22 0.815 -5.523 -0.076 134 1HB LEU 22 2HB LEU 22 3.090 -3.580 0.395 135 2HB LEU 22 1HB LEU 22 1.456 -3.276 0.985 136 HG LEU 22 HG LEU 22 2.889 -5.864 1.588 137 1HD1 LEU 22 1HD1 LEU 22 3.549 -4.855 3.750 138 2HD1 LEU 22 2HD1 LEU 22 2.923 -3.298 3.208 139 3HD1 LEU 22 3HD1 LEU 22 4.311 -4.022 2.396 140 1HD2 LEU 22 1HD2 LEU 22 0.514 -4.353 2.690 141 2HD2 LEU 22 2HD2 LEU 22 1.311 -5.621 3.622 142 3HD2 LEU 22 3HD2 LEU 22 0.568 -6.002 2.069 143 H VAL 23 H VAL 23 -0.765 -3.950 -0.738 144 HA VAL 23 HA VAL 23 -0.053 -2.386 -3.203 145 HB VAL 23 HB VAL 23 -2.399 -2.960 -3.948 146 1HG1 VAL 23 1HG1 VAL 23 -1.809 -5.126 -4.760 147 2HG1 VAL 23 2HG1 VAL 23 -0.760 -5.437 -3.377 148 3HG1 VAL 23 3HG1 VAL 23 -0.290 -4.247 -4.591 149 1HG2 VAL 23 1HG2 VAL 23 -2.291 -4.988 -1.694 150 2HG2 VAL 23 2HG2 VAL 23 -3.628 -4.696 -2.806 151 3HG2 VAL 23 3HG2 VAL 23 -3.205 -3.482 -1.600 152 H CYS 24 H CYS 24 -1.036 -0.323 -3.369 153 HA CYS 24 HA CYS 24 -1.917 0.879 -0.841 154 1HB CYS 24 2HB CYS 24 -1.643 1.948 -3.671 155 2HB CYS 24 1HB CYS 24 -1.901 2.941 -2.236 156 H SER 25 H SER 25 -4.016 0.592 -0.213 157 HA SER 25 HA SER 25 -6.173 -0.155 -1.970 158 1HB SER 25 2HB SER 25 -5.912 -0.577 0.515 159 2HB SER 25 1HB SER 25 -6.301 1.120 0.779 160 HG SER 25 HG SER 25 -8.240 0.176 0.857 161 H ARG 26 H ARG 26 -7.849 1.105 -2.831 162 HA ARG 26 HA ARG 26 -7.279 3.980 -3.187 163 1HB ARG 26 2HB ARG 26 -9.164 3.793 -4.811 164 2HB ARG 26 1HB ARG 26 -7.923 2.574 -5.088 165 1HG ARG 26 2HG ARG 26 -9.395 0.904 -4.746 166 2HG ARG 26 1HG ARG 26 -9.897 1.592 -3.204 167 1HD ARG 26 2HD ARG 26 -10.888 3.001 -5.635 168 2HD ARG 26 1HD ARG 26 -11.585 1.402 -5.307 169 HE ARG 26 HE ARG 26 -11.892 2.344 -2.893 170 1HH1 ARG 26 1HH2 ARG 26 -10.888 5.091 -3.720 171 2HH1 ARG 26 2HH2 ARG 26 -12.378 5.931 -3.991 172 1HH2 ARG 26 2HH1 ARG 26 -14.293 3.037 -4.136 173 2HH2 ARG 26 1HH1 ARG 26 -14.310 4.766 -4.227 174 H LYS 27 H LYS 27 -9.498 1.961 -1.345 175 HA LYS 27 HA LYS 27 -11.284 4.227 -0.700 176 1HB LYS 27 2HB LYS 27 -11.515 1.458 -0.908 177 2HB LYS 27 1HB LYS 27 -11.574 1.748 0.830 178 1HG LYS 27 2HG LYS 27 -13.593 2.786 0.714 179 2HG LYS 27 1HG LYS 27 -13.170 3.646 -0.766 180 1HD LYS 27 2HD LYS 27 -14.541 2.214 -1.846 181 2HD LYS 27 1HD LYS 27 -13.312 0.981 -1.569 182 1HE LYS 27 2HE LYS 27 -15.242 1.558 0.655 183 2HE LYS 27 1HE LYS 27 -15.805 0.594 -0.724 184 1HZ LYS 27 1HZ LYS 27 -14.779 -0.834 0.928 185 2HZ LYS 27 2HZ LYS 27 -13.350 0.082 0.876 186 3HZ LYS 27 3HZ LYS 27 -13.839 -0.813 -0.483 187 H HIS 28 H HIS 28 -8.767 2.265 0.849 188 HA HIS 28 HA HIS 28 -9.069 3.701 3.422 189 1HB HIS 28 2HB HIS 28 -7.473 1.383 2.347 190 2HB HIS 28 1HB HIS 28 -7.026 2.121 3.883 191 HD1 HIS 28 HD1 HIS 28 -7.806 0.181 5.369 192 HD2 HIS 28 HD2 HIS 28 -10.818 1.638 2.882 193 HE1 HIS 28 HE1 HIS 28 -9.965 -0.879 6.161 194 H ALA 29 H ALA 29 -7.181 3.921 0.508 195 HA ALA 29 HA ALA 29 -5.442 5.369 -0.134 196 1HB ALA 29 1HB ALA 29 -7.213 6.840 1.121 197 2HB ALA 29 2HB ALA 29 -5.622 7.523 0.782 198 3HB ALA 29 3HB ALA 29 -5.994 6.911 2.394 199 H TRP 30 H TRP 30 -4.727 3.055 1.490 200 HA TRP 30 HA TRP 30 -2.117 4.020 2.498 201 1HB TRP 30 2HB TRP 30 -2.436 3.257 4.712 202 2HB TRP 30 1HB TRP 30 -3.960 4.042 4.321 203 HD1 TRP 30 HD1 TRP 30 -4.846 1.415 2.449 204 HE1 TRP 30 HE1 TRP 30 -5.812 -0.614 3.708 205 HE3 TRP 30 HE3 TRP 30 -3.090 2.388 7.134 206 HZ2 TRP 30 HZ2 TRP 30 -5.838 -1.681 6.364 207 HZ3 TRP 30 HZ3 TRP 30 -3.599 0.854 9.012 208 HH2 TRP 30 HH2 TRP 30 -4.969 -1.178 8.633 209 H CYS 31 H CYS 31 -1.008 1.775 3.475 210 HA CYS 31 HA CYS 31 -0.937 -0.012 1.134 211 1HB CYS 31 2HB CYS 31 0.919 0.953 2.878 212 2HB CYS 31 1HB CYS 31 0.601 -0.624 3.600 213 H LYS 32 H LYS 32 -2.218 -1.790 1.011 214 HA LYS 32 HA LYS 32 -3.267 -2.998 3.550 215 1HB LYS 32 2HB LYS 32 -4.682 -1.825 1.597 216 2HB LYS 32 1HB LYS 32 -4.541 -3.429 0.878 217 1HG LYS 32 2HG LYS 32 -5.335 -4.343 3.141 218 2HG LYS 32 1HG LYS 32 -5.780 -2.682 3.532 219 1HD LYS 32 2HD LYS 32 -6.937 -2.838 1.120 220 2HD LYS 32 1HD LYS 32 -6.985 -4.550 1.542 221 1HE LYS 32 2HE LYS 32 -8.900 -4.021 2.670 222 2HE LYS 32 1HE LYS 32 -7.820 -3.317 3.890 223 1HZ LYS 32 1HZ LYS 32 -9.494 -1.727 2.998 224 2HZ LYS 32 2HZ LYS 32 -8.762 -1.865 1.472 225 3HZ LYS 32 3HZ LYS 32 -7.890 -1.220 2.782 226 H TYR 33 H TYR 33 -3.562 -5.378 3.464 227 HA TYR 33 HA TYR 33 -1.317 -6.698 2.055 228 1HB TYR 33 2HB TYR 33 -2.327 -6.899 4.549 229 2HB TYR 33 1HB TYR 33 -3.262 -8.174 3.768 230 HD1 TYR 33 HD1 TYR 33 -2.196 -10.178 2.903 231 HD2 TYR 33 HD2 TYR 33 0.131 -7.024 4.663 232 HE1 TYR 33 HE1 TYR 33 -0.228 -11.684 3.001 233 HE2 TYR 33 HE2 TYR 33 2.098 -8.530 4.761 234 HH TYR 33 HH TYR 33 2.131 -11.509 4.782 235 H GLU 34 H GLU 34 -1.627 -8.481 0.614 236 HA GLU 34 HA GLU 34 -4.246 -8.475 -0.800 237 1HB GLU 34 2HB GLU 34 -1.768 -8.267 -1.739 238 2HB GLU 34 1HB GLU 34 -1.826 -10.028 -1.655 239 1HG GLU 34 2HG GLU 34 -3.694 -10.139 -3.136 240 2HG GLU 34 1HG GLU 34 -4.001 -8.407 -2.994 241 H ILE 35 H ILE 35 -5.667 -10.153 -0.541 242 HA ILE 35 HA ILE 35 -4.672 -12.668 0.769 243 HB ILE 35 HB ILE 35 -7.343 -11.220 0.847 244 1HG1 ILE 35 2HG1 ILE 35 -6.425 -11.662 3.431 245 2HG1 ILE 35 1HG1 ILE 35 -4.947 -11.292 2.543 246 1HG2 ILE 35 1HG2 ILE 35 -7.870 -13.553 0.885 247 2HG2 ILE 35 2HG2 ILE 35 -7.891 -13.027 2.568 248 3HG2 ILE 35 3HG2 ILE 35 -6.503 -13.915 1.939 249 1HD1 ILE 35 1HD1 ILE 35 -5.795 -9.187 1.811 250 2HD1 ILE 35 2HD1 ILE 35 -6.206 -9.288 3.523 251 3HD1 ILE 35 3HD1 ILE 35 -7.439 -9.597 2.299 252 1HN NH2 36 1HN NH2 36 -5.944 -14.825 -1.665 253 2HN NH2 36 2HN NH2 36 -5.498 -14.656 0.047 Start of MODEL 7 1 1H GLU 1 1H GLU 1 12.454 7.858 -0.806 2 2H GLU 1 2H GLU 1 12.846 6.670 0.343 3 3H GLU 1 3H GLU 1 13.162 8.306 0.670 4 HA GLU 1 HA GLU 1 11.212 7.712 1.895 5 1HB GLU 1 2HB GLU 1 10.966 9.385 -0.599 6 2HB GLU 1 1HB GLU 1 9.585 9.217 0.484 7 1HG GLU 1 2HG GLU 1 11.505 9.770 2.304 8 2HG GLU 1 1HG GLU 1 12.169 10.628 0.913 9 H CYS 2 H CYS 2 10.281 5.670 1.968 10 HA CYS 2 HA CYS 2 8.465 4.924 -0.296 11 1HB CYS 2 2HB CYS 2 10.711 3.761 -0.365 12 2HB CYS 2 1HB CYS 2 10.323 3.044 1.199 13 H LEU 3 H LEU 3 6.658 3.614 0.367 14 HA LEU 3 HA LEU 3 5.942 3.950 3.232 15 1HB LEU 3 2HB LEU 3 4.407 3.150 0.738 16 2HB LEU 3 1HB LEU 3 3.676 3.329 2.333 17 HG LEU 3 HG LEU 3 5.304 5.581 1.179 18 1HD1 LEU 3 1HD1 LEU 3 3.443 4.703 -0.433 19 2HD1 LEU 3 2HD1 LEU 3 3.503 6.427 -0.069 20 3HD1 LEU 3 3HD1 LEU 3 2.329 5.395 0.745 21 1HD2 LEU 3 1HD2 LEU 3 3.691 6.891 2.575 22 2HD2 LEU 3 2HD2 LEU 3 4.609 5.719 3.520 23 3HD2 LEU 3 3HD2 LEU 3 2.938 5.376 3.073 24 H GLY 4 H GLY 4 5.949 2.228 4.626 25 1HA GLY 4 2HA GLY 4 6.687 -0.433 3.589 26 2HA GLY 4 1HA GLY 4 6.610 0.033 5.288 27 H PHE 5 H PHE 5 5.445 -2.127 5.386 28 HA PHE 5 HA PHE 5 2.781 -2.361 4.241 29 1HB PHE 5 2HB PHE 5 4.223 -4.279 4.795 30 2HB PHE 5 1HB PHE 5 4.196 -3.820 6.498 31 HD1 PHE 5 HD1 PHE 5 2.660 -4.902 7.874 32 HD2 PHE 5 HD2 PHE 5 1.765 -4.446 3.697 33 HE1 PHE 5 HE1 PHE 5 0.550 -6.164 8.188 34 HE2 PHE 5 HE2 PHE 5 -0.344 -5.710 4.013 35 HZ PHE 5 HZ PHE 5 -0.953 -6.568 6.257 36 H GLY 6 H GLY 6 0.794 -1.953 5.245 37 1HA GLY 6 2HA GLY 6 -0.729 -1.047 6.777 38 2HA GLY 6 1HA GLY 6 0.451 -1.392 8.041 39 H LYS 7 H LYS 7 1.147 0.649 5.243 40 HA LYS 7 HA LYS 7 1.472 2.976 7.104 41 1HB LYS 7 2HB LYS 7 3.456 1.984 5.879 42 2HB LYS 7 1HB LYS 7 2.689 2.476 4.369 43 1HG LYS 7 2HG LYS 7 4.168 4.256 4.896 44 2HG LYS 7 1HG LYS 7 2.578 4.835 5.390 45 1HD LYS 7 2HD LYS 7 3.217 4.988 7.547 46 2HD LYS 7 1HD LYS 7 3.863 3.346 7.534 47 1HE LYS 7 2HE LYS 7 6.004 4.049 6.896 48 2HE LYS 7 1HE LYS 7 5.402 5.554 6.175 49 1HZ LYS 7 1HZ LYS 7 6.413 5.989 8.328 50 2HZ LYS 7 2HZ LYS 7 5.365 4.878 9.073 51 3HZ LYS 7 3HZ LYS 7 4.747 6.304 8.386 52 H GLY 8 H GLY 8 0.030 4.632 6.821 53 1HA GLY 8 2HA GLY 8 -2.111 4.605 4.992 54 2HA GLY 8 1HA GLY 8 -1.540 6.055 5.815 55 H CYS 9 H CYS 9 -2.170 4.922 2.841 56 HA CYS 9 HA CYS 9 -0.199 6.761 1.549 57 1HB CYS 9 2HB CYS 9 0.235 5.015 -0.142 58 2HB CYS 9 1HB CYS 9 0.622 4.411 1.468 59 H ASN 10 H ASN 10 -0.996 6.466 -1.068 60 HA ASN 10 HA ASN 10 -3.879 7.258 -0.957 61 1HB ASN 10 2HB ASN 10 -3.375 8.651 -2.878 62 2HB ASN 10 1HB ASN 10 -2.133 8.933 -1.663 63 1HD2 ASN 10 1HD2 ASN 10 0.039 7.997 -2.075 64 2HD2 ASN 10 2HD2 ASN 10 0.484 7.515 -3.640 65 HA PRO 11 HA PRO 11 -4.616 3.481 -3.188 66 1HB PRO 11 2HB PRO 11 -7.286 3.901 -3.637 67 2HB PRO 11 1HB PRO 11 -6.636 3.374 -2.072 68 1HG PRO 11 2HG PRO 11 -7.481 6.090 -2.951 69 2HG PRO 11 1HG PRO 11 -7.707 5.287 -1.389 70 1HD PRO 11 2HD PRO 11 -5.791 7.168 -1.840 71 2HD PRO 11 1HD PRO 11 -5.622 5.868 -0.640 72 H SER 12 H SER 12 -5.467 6.704 -4.398 73 HA SER 12 HA SER 12 -6.237 6.094 -7.056 74 1HB SER 12 2HB SER 12 -5.352 8.428 -7.485 75 2HB SER 12 1HB SER 12 -6.438 8.312 -6.104 76 HG SER 12 HG SER 12 -3.744 8.884 -6.219 77 H ASN 13 H ASN 13 -2.990 6.524 -5.674 78 HA ASN 13 HA ASN 13 -1.834 5.119 -8.044 79 1HB ASN 13 2HB ASN 13 -1.120 7.813 -6.866 80 2HB ASN 13 1HB ASN 13 0.049 6.894 -7.813 81 1HD2 ASN 13 1HD2 ASN 13 -2.596 9.077 -8.046 82 2HD2 ASN 13 2HD2 ASN 13 -2.855 8.942 -9.718 83 H ASP 14 H ASP 14 -1.763 3.323 -6.466 84 HA ASP 14 HA ASP 14 -0.541 3.341 -3.927 85 1HB ASP 14 2HB ASP 14 -1.711 1.407 -4.619 86 2HB ASP 14 1HB ASP 14 -0.829 1.310 -6.141 87 H GLN 15 H GLN 15 1.487 3.992 -3.389 88 HA GLN 15 HA GLN 15 3.737 3.408 -5.289 89 1HB GLN 15 2HB GLN 15 2.687 5.864 -4.661 90 2HB GLN 15 1HB GLN 15 3.973 5.723 -3.463 91 1HG GLN 15 2HG GLN 15 5.652 5.580 -5.086 92 2HG GLN 15 1HG GLN 15 4.533 5.036 -6.336 93 1HE2 GLN 15 1HE2 GLN 15 5.445 7.927 -4.415 94 2HE2 GLN 15 2HE2 GLN 15 4.849 9.050 -5.539 95 H CYS 16 H CYS 16 2.931 1.658 -3.150 96 HA CYS 16 HA CYS 16 4.582 2.130 -0.785 97 1HB CYS 16 2HB CYS 16 2.596 0.239 -1.800 98 2HB CYS 16 1HB CYS 16 3.896 -0.581 -0.937 99 H CYS 17 H CYS 17 6.196 0.272 -0.173 100 HA CYS 17 HA CYS 17 8.377 0.264 -2.035 101 1HB CYS 17 2HB CYS 17 7.662 -0.896 0.592 102 2HB CYS 17 1HB CYS 17 8.898 -1.786 -0.297 103 H LYS 18 H LYS 18 8.581 -0.949 -3.855 104 HA LYS 18 HA LYS 18 6.768 -3.120 -4.522 105 1HB LYS 18 2HB LYS 18 7.893 -1.437 -6.060 106 2HB LYS 18 1HB LYS 18 9.394 -2.331 -5.820 107 1HG LYS 18 2HG LYS 18 8.773 -3.839 -7.370 108 2HG LYS 18 1HG LYS 18 7.302 -4.192 -6.463 109 1HD LYS 18 2HD LYS 18 7.223 -1.630 -7.914 110 2HD LYS 18 1HD LYS 18 7.355 -3.043 -8.961 111 1HE LYS 18 2HE LYS 18 5.372 -3.123 -6.705 112 2HE LYS 18 1HE LYS 18 4.964 -2.212 -8.171 113 1HZ LYS 18 1HZ LYS 18 5.888 -5.039 -8.070 114 2HZ LYS 18 2HZ LYS 18 5.576 -4.162 -9.493 115 3HZ LYS 18 3HZ LYS 18 4.311 -4.521 -8.419 116 H SER 19 H SER 19 9.929 -2.950 -2.998 117 HA SER 19 HA SER 19 10.957 -5.543 -3.556 118 1HB SER 19 2HB SER 19 11.159 -3.628 -1.223 119 2HB SER 19 1HB SER 19 12.061 -5.140 -1.254 120 HG SER 19 HG SER 19 13.223 -3.344 -2.138 121 H SER 20 H SER 20 8.743 -4.443 -0.975 122 HA SER 20 HA SER 20 8.452 -7.161 0.124 123 1HB SER 20 2HB SER 20 7.075 -5.998 1.761 124 2HB SER 20 1HB SER 20 8.510 -5.026 1.451 125 HG SER 20 HG SER 20 7.239 -3.511 0.769 126 H ASN 21 H ASN 21 7.065 -5.466 -2.482 127 HA ASN 21 HA ASN 21 5.190 -5.849 -3.836 128 1HB ASN 21 2HB ASN 21 5.694 -8.451 -2.408 129 2HB ASN 21 1HB ASN 21 4.286 -8.298 -3.456 130 1HD2 ASN 21 1HD2 ASN 21 6.852 -9.891 -3.858 131 2HD2 ASN 21 2HD2 ASN 21 7.452 -9.365 -5.356 132 H LEU 22 H LEU 22 3.993 -4.186 -2.629 133 HA LEU 22 HA LEU 22 1.696 -5.351 -1.102 134 1HB LEU 22 2HB LEU 22 3.571 -3.104 -0.330 135 2HB LEU 22 1HB LEU 22 1.982 -3.288 0.410 136 HG LEU 22 HG LEU 22 4.024 -5.523 0.334 137 1HD1 LEU 22 1HD1 LEU 22 4.893 -3.543 1.577 138 2HD1 LEU 22 2HD1 LEU 22 4.590 -4.923 2.633 139 3HD1 LEU 22 3HD1 LEU 22 3.450 -3.578 2.590 140 1HD2 LEU 22 1HD2 LEU 22 1.402 -5.023 1.756 141 2HD2 LEU 22 2HD2 LEU 22 2.556 -6.218 2.347 142 3HD2 LEU 22 3HD2 LEU 22 1.849 -6.394 0.741 143 H VAL 23 H VAL 23 -0.190 -3.881 -1.073 144 HA VAL 23 HA VAL 23 -0.143 -1.817 -3.251 145 HB VAL 23 HB VAL 23 -2.456 -2.661 -3.808 146 1HG1 VAL 23 1HG1 VAL 23 -0.280 -4.767 -3.969 147 2HG1 VAL 23 2HG1 VAL 23 -0.403 -3.375 -5.044 148 3HG1 VAL 23 3HG1 VAL 23 -1.669 -4.603 -5.043 149 1HG2 VAL 23 1HG2 VAL 23 -3.185 -4.800 -2.927 150 2HG2 VAL 23 2HG2 VAL 23 -2.830 -3.742 -1.562 151 3HG2 VAL 23 3HG2 VAL 23 -1.679 -4.994 -2.028 152 H CYS 24 H CYS 24 -1.815 -0.141 -2.990 153 HA CYS 24 HA CYS 24 -2.222 0.580 -0.166 154 1HB CYS 24 2HB CYS 24 -2.559 1.835 -2.873 155 2HB CYS 24 1HB CYS 24 -3.376 2.568 -1.493 156 H SER 25 H SER 25 -4.161 0.430 0.934 157 HA SER 25 HA SER 25 -6.397 -1.003 -0.365 158 1HB SER 25 2HB SER 25 -5.299 -1.305 2.007 159 2HB SER 25 1HB SER 25 -6.344 0.038 2.460 160 HG SER 25 HG SER 25 -8.046 -1.212 2.251 161 H ARG 26 H ARG 26 -8.640 -0.170 -0.100 162 HA ARG 26 HA ARG 26 -8.749 2.792 -0.479 163 1HB ARG 26 2HB ARG 26 -10.473 0.427 -1.223 164 2HB ARG 26 1HB ARG 26 -11.103 2.072 -1.319 165 1HG ARG 26 2HG ARG 26 -9.729 2.647 -3.074 166 2HG ARG 26 1HG ARG 26 -8.436 1.565 -2.555 167 1HD ARG 26 2HD ARG 26 -10.111 -0.349 -3.184 168 2HD ARG 26 1HD ARG 26 -10.917 0.913 -4.137 169 HE ARG 26 HE ARG 26 -8.012 0.832 -4.513 170 1HH1 ARG 26 2HH1 ARG 26 -9.739 1.788 -6.674 171 2HH1 ARG 26 1HH1 ARG 26 -9.823 0.435 -7.753 172 1HH2 ARG 26 1HH2 ARG 26 -8.701 -1.855 -5.392 173 2HH2 ARG 26 2HH2 ARG 26 -9.234 -1.632 -7.025 174 H LYS 27 H LYS 27 -10.097 0.154 1.489 175 HA LYS 27 HA LYS 27 -12.035 1.770 2.905 176 1HB LYS 27 2HB LYS 27 -11.958 -0.751 2.586 177 2HB LYS 27 1HB LYS 27 -10.669 -0.785 3.790 178 1HG LYS 27 2HG LYS 27 -12.086 -0.082 5.519 179 2HG LYS 27 1HG LYS 27 -13.266 0.606 4.403 180 1HD LYS 27 2HD LYS 27 -14.403 -1.328 4.822 181 2HD LYS 27 1HD LYS 27 -13.310 -1.995 3.609 182 1HE LYS 27 2HE LYS 27 -11.942 -3.022 5.214 183 2HE LYS 27 1HE LYS 27 -12.462 -1.920 6.503 184 1HZ LYS 27 1HZ LYS 27 -14.187 -3.928 5.145 185 2HZ LYS 27 2HZ LYS 27 -14.686 -2.859 6.369 186 3HZ LYS 27 3HZ LYS 27 -13.553 -4.077 6.710 187 H HIS 28 H HIS 28 -8.690 0.766 3.609 188 HA HIS 28 HA HIS 28 -8.707 2.483 6.060 189 1HB HIS 28 2HB HIS 28 -6.988 0.200 5.059 190 2HB HIS 28 1HB HIS 28 -6.565 1.148 6.484 191 HD1 HIS 28 HD1 HIS 28 -9.080 1.455 8.008 192 HD2 HIS 28 HD2 HIS 28 -8.229 -2.081 5.968 193 HE1 HIS 28 HE1 HIS 28 -10.496 -0.349 9.081 194 H ALA 29 H ALA 29 -7.679 2.549 2.801 195 HA ALA 29 HA ALA 29 -6.185 3.935 1.617 196 1HB ALA 29 1HB ALA 29 -6.339 5.701 4.066 197 2HB ALA 29 2HB ALA 29 -7.735 5.476 3.013 198 3HB ALA 29 3HB ALA 29 -6.253 6.185 2.372 199 H TRP 30 H TRP 30 -4.845 1.876 2.939 200 HA TRP 30 HA TRP 30 -2.246 3.174 3.537 201 1HB TRP 30 2HB TRP 30 -2.041 2.189 5.691 202 2HB TRP 30 1HB TRP 30 -3.678 2.826 5.646 203 HD1 TRP 30 HD1 TRP 30 -4.718 0.279 3.772 204 HE1 TRP 30 HE1 TRP 30 -5.207 -1.934 4.992 205 HE3 TRP 30 HE3 TRP 30 -2.060 1.041 8.059 206 HZ2 TRP 30 HZ2 TRP 30 -4.560 -3.213 7.467 207 HZ3 TRP 30 HZ3 TRP 30 -2.018 -0.687 9.834 208 HH2 TRP 30 HH2 TRP 30 -3.263 -2.811 9.544 209 H CYS 31 H CYS 31 -0.515 1.331 3.818 210 HA CYS 31 HA CYS 31 -0.617 -0.333 1.454 211 1HB CYS 31 2HB CYS 31 1.319 0.738 3.024 212 2HB CYS 31 1HB CYS 31 1.319 -0.916 3.633 213 H LYS 32 H LYS 32 -1.615 -2.272 1.278 214 HA LYS 32 HA LYS 32 -1.921 -3.983 3.723 215 1HB LYS 32 2HB LYS 32 -3.919 -2.588 2.571 216 2HB LYS 32 1HB LYS 32 -3.961 -4.020 1.542 217 1HG LYS 32 2HG LYS 32 -3.707 -4.693 4.378 218 2HG LYS 32 1HG LYS 32 -5.169 -3.770 4.033 219 1HD LYS 32 2HD LYS 32 -4.984 -5.622 1.933 220 2HD LYS 32 1HD LYS 32 -4.556 -6.535 3.380 221 1HE LYS 32 2HE LYS 32 -6.806 -6.709 3.721 222 2HE LYS 32 1HE LYS 32 -6.729 -5.008 4.219 223 1HZ LYS 32 1HZ LYS 32 -7.006 -4.348 1.910 224 2HZ LYS 32 2HZ LYS 32 -8.312 -5.315 2.406 225 3HZ LYS 32 3HZ LYS 32 -7.089 -5.973 1.428 226 H TYR 33 H TYR 33 -2.319 -6.334 3.080 227 HA TYR 33 HA TYR 33 -0.340 -7.198 1.128 228 1HB TYR 33 2HB TYR 33 -1.774 -8.238 3.342 229 2HB TYR 33 1HB TYR 33 -2.194 -9.257 1.966 230 HD1 TYR 33 HD1 TYR 33 -0.726 -10.953 1.291 231 HD2 TYR 33 HD2 TYR 33 0.772 -7.674 3.626 232 HE1 TYR 33 HE1 TYR 33 1.481 -12.070 1.444 233 HE2 TYR 33 HE2 TYR 33 2.981 -8.792 3.779 234 HH TYR 33 HH TYR 33 3.619 -11.642 3.513 235 H GLU 34 H GLU 34 -0.876 -8.648 -0.719 236 HA GLU 34 HA GLU 34 -3.183 -7.614 -2.247 237 1HB GLU 34 2HB GLU 34 -0.851 -9.462 -2.840 238 2HB GLU 34 1HB GLU 34 -2.066 -9.027 -4.042 239 1HG GLU 34 2HG GLU 34 -1.339 -6.842 -4.196 240 2HG GLU 34 1HG GLU 34 -0.779 -6.800 -2.525 241 H ILE 35 H ILE 35 -4.694 -8.744 -0.614 242 HA ILE 35 HA ILE 35 -5.144 -11.596 -1.448 243 HB ILE 35 HB ILE 35 -5.481 -10.216 1.237 244 1HG1 ILE 35 2HG1 ILE 35 -3.838 -12.673 0.628 245 2HG1 ILE 35 1HG1 ILE 35 -3.178 -11.062 0.344 246 1HG2 ILE 35 1HG2 ILE 35 -6.094 -12.580 1.991 247 2HG2 ILE 35 2HG2 ILE 35 -6.314 -12.967 0.285 248 3HG2 ILE 35 3HG2 ILE 35 -7.320 -11.736 1.046 249 1HD1 ILE 35 1HD1 ILE 35 -3.842 -10.504 2.739 250 2HD1 ILE 35 2HD1 ILE 35 -2.521 -11.659 2.565 251 3HD1 ILE 35 3HD1 ILE 35 -4.142 -12.227 2.963 252 1HN NH2 36 1HN NH2 36 -8.122 -8.738 -1.152 253 2HN NH2 36 2HN NH2 36 -6.382 -8.383 -1.104 Start of MODEL 8 1 1H GLU 1 1H GLU 1 13.662 7.978 1.969 2 2H GLU 1 2H GLU 1 12.475 8.447 0.846 3 3H GLU 1 3H GLU 1 12.912 6.812 0.994 4 HA GLU 1 HA GLU 1 12.030 6.782 3.279 5 1HB GLU 1 2HB GLU 1 11.650 9.659 2.478 6 2HB GLU 1 1HB GLU 1 10.573 8.943 3.676 7 1HG GLU 1 2HG GLU 1 12.149 9.278 5.245 8 2HG GLU 1 1HG GLU 1 13.200 8.152 4.388 9 H CYS 2 H CYS 2 10.520 5.256 2.696 10 HA CYS 2 HA CYS 2 8.186 6.158 1.037 11 1HB CYS 2 2HB CYS 2 8.313 4.082 -0.169 12 2HB CYS 2 1HB CYS 2 9.952 4.729 -0.125 13 H LEU 3 H LEU 3 6.361 4.390 1.283 14 HA LEU 3 HA LEU 3 5.871 4.059 4.185 15 1HB LEU 3 2HB LEU 3 4.199 3.581 1.693 16 2HB LEU 3 1HB LEU 3 3.589 3.469 3.342 17 HG LEU 3 HG LEU 3 5.016 5.977 2.555 18 1HD1 LEU 3 1HD1 LEU 3 2.410 6.598 1.973 19 2HD1 LEU 3 2HD1 LEU 3 2.534 4.968 1.310 20 3HD1 LEU 3 3HD1 LEU 3 3.637 6.229 0.761 21 1HD2 LEU 3 1HD2 LEU 3 2.590 5.324 4.262 22 2HD2 LEU 3 2HD2 LEU 3 3.280 6.935 4.067 23 3HD2 LEU 3 3HD2 LEU 3 4.216 5.664 4.853 24 H GLY 4 H GLY 4 6.382 2.149 5.172 25 1HA GLY 4 2HA GLY 4 7.182 -0.192 3.647 26 2HA GLY 4 1HA GLY 4 7.064 -0.093 5.404 27 H PHE 5 H PHE 5 6.092 -2.302 5.144 28 HA PHE 5 HA PHE 5 3.466 -2.566 3.894 29 1HB PHE 5 2HB PHE 5 4.952 -4.461 4.004 30 2HB PHE 5 1HB PHE 5 5.161 -4.270 5.744 31 HD1 PHE 5 HD1 PHE 5 2.333 -4.626 3.281 32 HD2 PHE 5 HD2 PHE 5 3.961 -5.723 7.104 33 HE1 PHE 5 HE1 PHE 5 0.383 -6.101 3.691 34 HE2 PHE 5 HE2 PHE 5 2.010 -7.199 7.509 35 HZ PHE 5 HZ PHE 5 0.222 -7.387 5.803 36 H GLY 6 H GLY 6 1.476 -2.343 4.882 37 1HA GLY 6 2HA GLY 6 -0.110 -2.130 6.621 38 2HA GLY 6 1HA GLY 6 1.185 -2.368 7.793 39 H LYS 7 H LYS 7 1.252 0.071 5.232 40 HA LYS 7 HA LYS 7 1.282 2.187 7.350 41 1HB LYS 7 2HB LYS 7 3.032 1.512 5.272 42 2HB LYS 7 1HB LYS 7 2.168 2.924 4.664 43 1HG LYS 7 2HG LYS 7 3.976 3.864 5.843 44 2HG LYS 7 1HG LYS 7 2.646 3.955 6.997 45 1HD LYS 7 2HD LYS 7 3.476 2.213 8.303 46 2HD LYS 7 1HD LYS 7 4.384 1.508 6.966 47 1HE LYS 7 2HE LYS 7 6.081 2.504 8.277 48 2HE LYS 7 1HE LYS 7 5.755 3.756 7.062 49 1HZ LYS 7 1HZ LYS 7 4.422 3.579 9.716 50 2HZ LYS 7 2HZ LYS 7 4.205 4.805 8.558 51 3HZ LYS 7 3HZ LYS 7 5.698 4.634 9.349 52 H GLY 8 H GLY 8 -0.642 3.277 7.466 53 1HA GLY 8 2HA GLY 8 -2.780 3.115 5.642 54 2HA GLY 8 1HA GLY 8 -2.568 4.434 6.792 55 H CYS 9 H CYS 9 -3.041 3.927 3.628 56 HA CYS 9 HA CYS 9 -1.727 6.487 2.865 57 1HB CYS 9 2HB CYS 9 -0.833 5.324 0.815 58 2HB CYS 9 1HB CYS 9 -0.116 4.745 2.318 59 H ASN 10 H ASN 10 -2.363 6.596 0.221 60 HA ASN 10 HA ASN 10 -5.320 6.695 0.259 61 1HB ASN 10 2HB ASN 10 -3.185 8.193 -0.828 62 2HB ASN 10 1HB ASN 10 -4.027 7.497 -2.212 63 1HD2 ASN 10 1HD2 ASN 10 -4.181 9.973 0.196 64 2HD2 ASN 10 2HD2 ASN 10 -5.750 10.517 -0.154 65 HA PRO 11 HA PRO 11 -5.503 2.819 -1.934 66 1HB PRO 11 2HB PRO 11 -8.195 2.879 -2.462 67 2HB PRO 11 1HB PRO 11 -7.520 2.438 -0.881 68 1HG PRO 11 2HG PRO 11 -8.695 5.020 -1.780 69 2HG PRO 11 1HG PRO 11 -8.851 4.189 -0.225 70 1HD PRO 11 2HD PRO 11 -7.191 6.307 -0.617 71 2HD PRO 11 1HD PRO 11 -6.872 5.027 0.574 72 H SER 12 H SER 12 -7.181 5.717 -3.238 73 HA SER 12 HA SER 12 -7.174 4.806 -5.988 74 1HB SER 12 2HB SER 12 -7.722 7.225 -6.397 75 2HB SER 12 1HB SER 12 -8.730 6.493 -5.153 76 HG SER 12 HG SER 12 -6.776 8.450 -4.970 77 H ASN 13 H ASN 13 -4.995 6.823 -4.043 78 HA ASN 13 HA ASN 13 -3.021 6.793 -6.299 79 1HB ASN 13 2HB ASN 13 -4.176 8.893 -4.755 80 2HB ASN 13 1HB ASN 13 -2.481 8.778 -4.278 81 1HD2 ASN 13 1HD2 ASN 13 -4.597 9.936 -6.734 82 2HD2 ASN 13 2HD2 ASN 13 -3.411 10.326 -7.883 83 H ASP 14 H ASP 14 -2.544 4.586 -5.303 84 HA ASP 14 HA ASP 14 -1.463 4.293 -2.669 85 1HB ASP 14 2HB ASP 14 -0.739 2.126 -3.507 86 2HB ASP 14 1HB ASP 14 -2.314 2.495 -4.205 87 H GLN 15 H GLN 15 0.562 4.684 -1.859 88 HA GLN 15 HA GLN 15 2.770 5.348 -3.778 89 1HB GLN 15 2HB GLN 15 1.941 6.837 -1.260 90 2HB GLN 15 1HB GLN 15 3.328 7.244 -2.271 91 1HG GLN 15 2HG GLN 15 1.385 7.196 -4.158 92 2HG GLN 15 1HG GLN 15 0.433 7.691 -2.759 93 1HE2 GLN 15 1HE2 GLN 15 1.587 9.209 -5.247 94 2HE2 GLN 15 2HE2 GLN 15 2.302 10.583 -4.555 95 H CYS 16 H CYS 16 2.193 2.884 -2.168 96 HA CYS 16 HA CYS 16 3.970 2.853 0.136 97 1HB CYS 16 2HB CYS 16 2.772 0.647 -1.571 98 2HB CYS 16 1HB CYS 16 3.518 0.412 0.009 99 H CYS 17 H CYS 17 5.891 1.309 0.196 100 HA CYS 17 HA CYS 17 7.851 2.015 -1.779 101 1HB CYS 17 2HB CYS 17 7.735 0.823 0.748 102 2HB CYS 17 1HB CYS 17 8.383 -0.446 -0.291 103 H LYS 18 H LYS 18 8.240 1.114 -3.758 104 HA LYS 18 HA LYS 18 6.642 -1.176 -4.678 105 1HB LYS 18 2HB LYS 18 8.638 0.751 -5.871 106 2HB LYS 18 1HB LYS 18 8.046 -0.629 -6.796 107 1HG LYS 18 2HG LYS 18 5.790 0.131 -6.687 108 2HG LYS 18 1HG LYS 18 6.172 1.315 -5.435 109 1HD LYS 18 2HD LYS 18 7.560 2.575 -7.024 110 2HD LYS 18 1HD LYS 18 7.225 1.381 -8.279 111 1HE LYS 18 2HE LYS 18 5.422 2.645 -8.838 112 2HE LYS 18 1HE LYS 18 4.689 2.127 -7.308 113 1HZ LYS 18 1HZ LYS 18 6.528 4.439 -7.653 114 2HZ LYS 18 2HZ LYS 18 5.848 3.928 -6.181 115 3HZ LYS 18 3HZ LYS 18 4.853 4.542 -7.414 116 H SER 19 H SER 19 9.435 -1.049 -2.878 117 HA SER 19 HA SER 19 11.230 -2.844 -4.205 118 1HB SER 19 2HB SER 19 12.102 -3.124 -1.862 119 2HB SER 19 1HB SER 19 11.867 -1.439 -2.318 120 HG SER 19 HG SER 19 10.542 -2.998 -0.457 121 H SER 20 H SER 20 8.507 -3.433 -1.961 122 HA SER 20 HA SER 20 8.791 -6.374 -2.489 123 1HB SER 20 2HB SER 20 7.646 -6.597 -0.299 124 2HB SER 20 1HB SER 20 9.118 -5.643 -0.160 125 HG SER 20 HG SER 20 7.953 -3.969 0.362 126 H ASN 21 H ASN 21 7.289 -4.229 -4.093 127 HA ASN 21 HA ASN 21 5.223 -4.014 -5.199 128 1HB ASN 21 2HB ASN 21 5.962 -6.720 -4.931 129 2HB ASN 21 1HB ASN 21 4.241 -6.673 -4.549 130 1HD2 ASN 21 1HD2 ASN 21 2.804 -6.491 -6.312 131 2HD2 ASN 21 2HD2 ASN 21 3.286 -6.144 -7.902 132 H LEU 22 H LEU 22 4.832 -2.636 -3.050 133 HA LEU 22 HA LEU 22 2.626 -3.813 -1.415 134 1HB LEU 22 2HB LEU 22 4.538 -1.491 -1.156 135 2HB LEU 22 1HB LEU 22 3.103 -1.588 -0.137 136 HG LEU 22 HG LEU 22 5.096 -3.854 -0.385 137 1HD1 LEU 22 1HD1 LEU 22 5.994 -3.080 1.783 138 2HD1 LEU 22 2HD1 LEU 22 4.927 -1.677 1.723 139 3HD1 LEU 22 3HD1 LEU 22 6.217 -1.856 0.533 140 1HD2 LEU 22 1HD2 LEU 22 3.067 -4.697 0.473 141 2HD2 LEU 22 2HD2 LEU 22 2.727 -3.219 1.373 142 3HD2 LEU 22 3HD2 LEU 22 3.989 -4.320 1.928 143 H VAL 23 H VAL 23 0.541 -3.059 -1.619 144 HA VAL 23 HA VAL 23 0.075 -0.648 -3.348 145 HB VAL 23 HB VAL 23 -1.951 -1.900 -4.161 146 1HG1 VAL 23 1HG1 VAL 23 -0.746 -3.265 -5.713 147 2HG1 VAL 23 2HG1 VAL 23 0.585 -3.498 -4.580 148 3HG1 VAL 23 3HG1 VAL 23 0.320 -1.917 -5.316 149 1HG2 VAL 23 1HG2 VAL 23 -2.205 -4.249 -3.670 150 2HG2 VAL 23 2HG2 VAL 23 -2.055 -3.410 -2.127 151 3HG2 VAL 23 3HG2 VAL 23 -0.677 -4.288 -2.790 152 H CYS 24 H CYS 24 -1.822 0.602 -2.774 153 HA CYS 24 HA CYS 24 -2.464 0.503 0.097 154 1HB CYS 24 2HB CYS 24 -3.115 2.328 -2.224 155 2HB CYS 24 1HB CYS 24 -3.790 2.586 -0.615 156 H SER 25 H SER 25 -4.075 -0.849 0.774 157 HA SER 25 HA SER 25 -6.102 -1.938 -1.003 158 1HB SER 25 2HB SER 25 -4.960 -2.574 1.432 159 2HB SER 25 1HB SER 25 -6.568 -2.035 1.907 160 HG SER 25 HG SER 25 -7.339 -3.806 1.094 161 H ARG 26 H ARG 26 -8.434 -1.587 -0.747 162 HA ARG 26 HA ARG 26 -9.093 1.249 -0.202 163 1HB ARG 26 2HB ARG 26 -9.786 -0.480 -2.156 164 2HB ARG 26 1HB ARG 26 -11.127 -0.763 -1.045 165 1HG ARG 26 2HG ARG 26 -10.925 1.991 -1.039 166 2HG ARG 26 1HG ARG 26 -10.543 1.586 -2.712 167 1HD ARG 26 2HD ARG 26 -12.854 0.119 -1.555 168 2HD ARG 26 1HD ARG 26 -13.095 1.858 -1.817 169 HE ARG 26 HE ARG 26 -12.092 0.032 -3.974 170 1HH1 ARG 26 1HH2 ARG 26 -11.972 3.022 -4.384 171 2HH1 ARG 26 2HH2 ARG 26 -13.446 3.319 -5.243 172 1HH2 ARG 26 2HH1 ARG 26 -14.863 0.259 -4.406 173 2HH2 ARG 26 1HH1 ARG 26 -15.087 1.752 -5.255 174 H LYS 27 H LYS 27 -9.866 -1.998 1.028 175 HA LYS 27 HA LYS 27 -11.875 -1.091 2.935 176 1HB LYS 27 2HB LYS 27 -10.262 -3.628 2.539 177 2HB LYS 27 1HB LYS 27 -11.511 -3.472 3.774 178 1HG LYS 27 2HG LYS 27 -13.230 -3.404 2.228 179 2HG LYS 27 1HG LYS 27 -12.211 -2.710 0.966 180 1HD LYS 27 2HD LYS 27 -11.569 -5.466 1.940 181 2HD LYS 27 1HD LYS 27 -12.957 -5.263 0.871 182 1HE LYS 27 2HE LYS 27 -10.539 -3.799 -0.004 183 2HE LYS 27 1HE LYS 27 -10.382 -5.566 -0.025 184 1HZ LYS 27 1HZ LYS 27 -12.655 -4.038 -1.185 185 2HZ LYS 27 2HZ LYS 27 -12.456 -5.726 -1.230 186 3HZ LYS 27 3HZ LYS 27 -11.385 -4.718 -2.080 187 H HIS 28 H HIS 28 -8.400 -1.788 3.052 188 HA HIS 28 HA HIS 28 -8.313 -1.147 5.963 189 1HB HIS 28 2HB HIS 28 -6.291 -2.259 3.989 190 2HB HIS 28 1HB HIS 28 -5.984 -2.040 5.712 191 HD1 HIS 28 HD1 HIS 28 -6.166 -4.837 4.083 192 HD2 HIS 28 HD2 HIS 28 -9.064 -3.234 6.613 193 HE1 HIS 28 HE1 HIS 28 -7.582 -6.782 4.872 194 H ALA 29 H ALA 29 -7.589 0.260 2.855 195 HA ALA 29 HA ALA 29 -6.607 2.310 2.236 196 1HB ALA 29 1HB ALA 29 -7.164 4.106 3.721 197 2HB ALA 29 2HB ALA 29 -7.139 3.042 5.128 198 3HB ALA 29 3HB ALA 29 -8.430 2.897 3.935 199 H TRP 30 H TRP 30 -4.736 0.308 3.000 200 HA TRP 30 HA TRP 30 -2.495 2.019 3.909 201 1HB TRP 30 2HB TRP 30 -1.963 0.662 5.790 202 2HB TRP 30 1HB TRP 30 -3.699 0.918 5.884 203 HD1 TRP 30 HD1 TRP 30 -4.032 -1.385 3.389 204 HE1 TRP 30 HE1 TRP 30 -4.046 -3.844 4.157 205 HE3 TRP 30 HE3 TRP 30 -1.934 -0.864 8.003 206 HZ2 TRP 30 HZ2 TRP 30 -3.272 -5.388 6.442 207 HZ3 TRP 30 HZ3 TRP 30 -1.586 -2.840 9.460 208 HH2 TRP 30 HH2 TRP 30 -2.252 -5.100 8.685 209 H CYS 31 H CYS 31 -0.376 0.553 3.858 210 HA CYS 31 HA CYS 31 -0.164 -0.529 1.171 211 1HB CYS 31 2HB CYS 31 1.703 -0.592 3.566 212 2HB CYS 31 1HB CYS 31 2.168 -1.003 1.919 213 H LYS 32 H LYS 32 -0.471 -2.621 0.534 214 HA LYS 32 HA LYS 32 -0.568 -4.759 2.637 215 1HB LYS 32 2HB LYS 32 -2.797 -4.034 1.819 216 2HB LYS 32 1HB LYS 32 -2.295 -4.386 0.165 217 1HG LYS 32 2HG LYS 32 -3.559 -6.283 0.969 218 2HG LYS 32 1HG LYS 32 -1.865 -6.764 0.886 219 1HD LYS 32 2HD LYS 32 -2.020 -7.368 3.053 220 2HD LYS 32 1HD LYS 32 -2.174 -5.656 3.448 221 1HE LYS 32 2HE LYS 32 -4.531 -5.756 3.523 222 2HE LYS 32 1HE LYS 32 -4.586 -7.264 2.590 223 1HZ LYS 32 1HZ LYS 32 -3.285 -7.021 5.249 224 2HZ LYS 32 2HZ LYS 32 -3.582 -8.447 4.374 225 3HZ LYS 32 3HZ LYS 32 -4.875 -7.568 5.035 226 H TYR 33 H TYR 33 0.204 -6.829 1.943 227 HA TYR 33 HA TYR 33 2.235 -6.747 -0.177 228 1HB TYR 33 2HB TYR 33 1.892 -8.016 2.253 229 2HB TYR 33 1HB TYR 33 1.557 -9.314 1.107 230 HD1 TYR 33 HD1 TYR 33 3.334 -10.472 0.111 231 HD2 TYR 33 HD2 TYR 33 4.027 -6.579 1.790 232 HE1 TYR 33 HE1 TYR 33 5.763 -10.719 -0.320 233 HE2 TYR 33 HE2 TYR 33 6.456 -6.826 1.359 234 HH TYR 33 HH TYR 33 7.776 -8.745 -0.678 235 H GLU 34 H GLU 34 2.241 -9.047 -1.469 236 HA GLU 34 HA GLU 34 0.036 -8.926 -3.329 237 1HB GLU 34 2HB GLU 34 2.298 -10.878 -2.814 238 2HB GLU 34 1HB GLU 34 1.194 -11.038 -4.179 239 1HG GLU 34 2HG GLU 34 2.689 -8.465 -3.654 240 2HG GLU 34 1HG GLU 34 3.405 -9.773 -4.596 241 H ILE 35 H ILE 35 -1.884 -10.049 -3.300 242 HA ILE 35 HA ILE 35 -2.409 -11.878 -1.014 243 HB ILE 35 HB ILE 35 -4.178 -10.589 -3.125 244 1HG1 ILE 35 2HG1 ILE 35 -4.846 -9.622 -0.599 245 2HG1 ILE 35 1HG1 ILE 35 -3.086 -9.708 -0.553 246 1HG2 ILE 35 1HG2 ILE 35 -4.918 -12.142 -0.623 247 2HG2 ILE 35 2HG2 ILE 35 -5.150 -12.693 -2.282 248 3HG2 ILE 35 3HG2 ILE 35 -6.054 -11.304 -1.680 249 1HD1 ILE 35 1HD1 ILE 35 -4.357 -7.576 -1.549 250 2HD1 ILE 35 2HD1 ILE 35 -4.346 -8.567 -3.008 251 3HD1 ILE 35 3HD1 ILE 35 -2.827 -8.138 -2.222 252 1HN NH2 36 1HN NH2 36 -2.898 -14.911 -2.707 253 2HN NH2 36 2HN NH2 36 -3.437 -13.931 -1.326 Start of MODEL 9 1 1H GLU 1 1H GLU 1 8.997 7.482 3.136 2 2H GLU 1 2H GLU 1 9.451 7.926 1.560 3 3H GLU 1 3H GLU 1 10.519 8.178 2.857 4 HA GLU 1 HA GLU 1 11.214 6.242 1.575 5 1HB GLU 1 2HB GLU 1 10.260 6.217 4.395 6 2HB GLU 1 1HB GLU 1 10.717 4.654 3.717 7 1HG GLU 1 2HG GLU 1 12.933 5.306 3.355 8 2HG GLU 1 1HG GLU 1 12.531 7.023 3.346 9 H CYS 2 H CYS 2 10.641 3.760 1.483 10 HA CYS 2 HA CYS 2 8.269 3.404 -0.082 11 1HB CYS 2 2HB CYS 2 10.418 2.051 -0.061 12 2HB CYS 2 1HB CYS 2 9.846 1.301 1.430 13 H LEU 3 H LEU 3 6.305 2.295 0.443 14 HA LEU 3 HA LEU 3 5.531 2.503 3.311 15 1HB LEU 3 2HB LEU 3 3.977 2.174 0.724 16 2HB LEU 3 1HB LEU 3 3.231 2.320 2.315 17 HG LEU 3 HG LEU 3 5.184 4.390 1.306 18 1HD1 LEU 3 1HD1 LEU 3 3.137 5.712 0.650 19 2HD1 LEU 3 2HD1 LEU 3 2.192 4.235 0.843 20 3HD1 LEU 3 3HD1 LEU 3 3.457 4.318 -0.383 21 1HD2 LEU 3 1HD2 LEU 3 3.931 3.960 3.753 22 2HD2 LEU 3 2HD2 LEU 3 2.919 5.186 2.989 23 3HD2 LEU 3 3HD2 LEU 3 4.643 5.482 3.217 24 H GLY 4 H GLY 4 5.700 0.639 4.477 25 1HA GLY 4 2HA GLY 4 5.895 -1.973 3.211 26 2HA GLY 4 1HA GLY 4 5.854 -1.666 4.947 27 H PHE 5 H PHE 5 4.378 -3.603 4.909 28 HA PHE 5 HA PHE 5 1.735 -3.368 3.703 29 1HB PHE 5 2HB PHE 5 2.761 -5.530 4.068 30 2HB PHE 5 1HB PHE 5 2.990 -5.188 5.781 31 HD1 PHE 5 HD1 PHE 5 0.054 -4.771 3.465 32 HD2 PHE 5 HD2 PHE 5 1.601 -6.558 7.054 33 HE1 PHE 5 HE1 PHE 5 -2.185 -5.709 3.967 34 HE2 PHE 5 HE2 PHE 5 -0.639 -7.495 7.552 35 HZ PHE 5 HZ PHE 5 -2.532 -7.070 6.008 36 H GLY 6 H GLY 6 -0.025 -2.351 4.565 37 1HA GLY 6 2HA GLY 6 -1.502 -1.508 6.203 38 2HA GLY 6 1HA GLY 6 -0.406 -2.094 7.452 39 H LYS 7 H LYS 7 0.160 0.172 4.747 40 HA LYS 7 HA LYS 7 1.047 2.212 6.766 41 1HB LYS 7 2HB LYS 7 2.206 1.064 4.321 42 2HB LYS 7 1HB LYS 7 2.231 2.826 4.331 43 1HG LYS 7 2HG LYS 7 3.160 1.207 6.707 44 2HG LYS 7 1HG LYS 7 4.251 1.643 5.391 45 1HD LYS 7 2HD LYS 7 3.531 4.056 5.746 46 2HD LYS 7 1HD LYS 7 2.735 3.515 7.223 47 1HE LYS 7 2HE LYS 7 5.062 2.436 7.785 48 2HE LYS 7 1HE LYS 7 5.679 3.595 6.590 49 1HZ LYS 7 1HZ LYS 7 4.499 5.364 7.762 50 2HZ LYS 7 2HZ LYS 7 5.619 4.599 8.786 51 3HZ LYS 7 3HZ LYS 7 3.961 4.254 8.928 52 H GLY 8 H GLY 8 -0.422 3.870 6.848 53 1HA GLY 8 2HA GLY 8 -2.546 4.321 5.051 54 2HA GLY 8 1HA GLY 8 -1.906 5.546 6.144 55 H CYS 9 H CYS 9 -2.502 4.956 2.972 56 HA CYS 9 HA CYS 9 -0.638 7.090 2.084 57 1HB CYS 9 2HB CYS 9 0.118 5.615 0.204 58 2HB CYS 9 1HB CYS 9 0.587 4.988 1.783 59 H ASN 10 H ASN 10 -1.133 7.108 -0.585 60 HA ASN 10 HA ASN 10 -4.122 7.306 -0.774 61 1HB ASN 10 2HB ASN 10 -3.568 9.088 -2.498 62 2HB ASN 10 1HB ASN 10 -3.071 9.477 -0.854 63 1HD2 ASN 10 1HD2 ASN 10 -0.843 9.873 -0.498 64 2HD2 ASN 10 2HD2 ASN 10 0.354 9.656 -1.682 65 HA PRO 11 HA PRO 11 -3.910 4.287 -3.970 66 1HB PRO 11 2HB PRO 11 -6.219 4.887 -5.317 67 2HB PRO 11 1HB PRO 11 -6.194 4.061 -3.746 68 1HG PRO 11 2HG PRO 11 -6.720 6.926 -4.368 69 2HG PRO 11 1HG PRO 11 -7.507 5.864 -3.190 70 1HD PRO 11 2HD PRO 11 -5.627 7.704 -2.505 71 2HD PRO 11 1HD PRO 11 -5.880 6.191 -1.608 72 H SER 12 H SER 12 -4.562 7.668 -4.947 73 HA SER 12 HA SER 12 -4.058 7.434 -7.733 74 1HB SER 12 2HB SER 12 -4.998 9.395 -6.473 75 2HB SER 12 1HB SER 12 -3.376 9.734 -5.876 76 HG SER 12 HG SER 12 -4.023 10.893 -7.822 77 H ASN 13 H ASN 13 -1.762 8.480 -5.195 78 HA ASN 13 HA ASN 13 0.491 7.666 -7.001 79 1HB ASN 13 2HB ASN 13 0.029 9.834 -4.973 80 2HB ASN 13 1HB ASN 13 1.679 9.275 -5.249 81 1HD2 ASN 13 1HD2 ASN 13 2.748 10.347 -6.917 82 2HD2 ASN 13 2HD2 ASN 13 1.987 11.134 -8.214 83 H ASP 14 H ASP 14 -0.511 5.509 -5.782 84 HA ASP 14 HA ASP 14 0.276 4.985 -3.081 85 1HB ASP 14 2HB ASP 14 -0.139 2.648 -3.724 86 2HB ASP 14 1HB ASP 14 -1.369 3.692 -4.431 87 H GLN 15 H GLN 15 2.238 4.389 -2.214 88 HA GLN 15 HA GLN 15 4.497 3.818 -4.111 89 1HB GLN 15 2HB GLN 15 4.214 6.112 -2.785 90 2HB GLN 15 1HB GLN 15 4.906 5.169 -1.465 91 1HG GLN 15 2HG GLN 15 6.730 4.469 -3.130 92 2HG GLN 15 1HG GLN 15 6.124 5.760 -4.168 93 1HE2 GLN 15 1HE2 GLN 15 7.981 5.077 -1.275 94 2HE2 GLN 15 2HE2 GLN 15 8.370 6.688 -0.909 95 H CYS 16 H CYS 16 2.978 1.723 -2.991 96 HA CYS 16 HA CYS 16 4.102 0.757 -0.490 97 1HB CYS 16 2HB CYS 16 2.367 -0.296 -2.709 98 2HB CYS 16 1HB CYS 16 2.976 -1.407 -1.482 99 H CYS 17 H CYS 17 5.570 -1.052 -0.253 100 HA CYS 17 HA CYS 17 7.812 -1.057 -2.073 101 1HB CYS 17 2HB CYS 17 6.945 -2.363 0.439 102 2HB CYS 17 1HB CYS 17 8.117 -3.279 -0.507 103 H LYS 18 H LYS 18 8.205 -2.341 -3.831 104 HA LYS 18 HA LYS 18 6.135 -4.138 -4.840 105 1HB LYS 18 2HB LYS 18 7.608 -4.279 -6.764 106 2HB LYS 18 1HB LYS 18 7.604 -2.610 -6.199 107 1HG LYS 18 2HG LYS 18 9.702 -3.116 -4.901 108 2HG LYS 18 1HG LYS 18 9.733 -4.704 -5.668 109 1HD LYS 18 2HD LYS 18 10.209 -3.833 -7.773 110 2HD LYS 18 1HD LYS 18 9.500 -2.264 -7.397 111 1HE LYS 18 2HE LYS 18 11.768 -1.726 -7.285 112 2HE LYS 18 1HE LYS 18 11.488 -2.205 -5.600 113 1HZ LYS 18 1HZ LYS 18 13.383 -3.392 -6.554 114 2HZ LYS 18 2HZ LYS 18 12.390 -4.019 -7.780 115 3HZ LYS 18 3HZ LYS 18 12.129 -4.464 -6.161 116 H SER 19 H SER 19 8.916 -4.566 -2.806 117 HA SER 19 HA SER 19 9.752 -7.203 -3.474 118 1HB SER 19 2HB SER 19 10.782 -5.505 -1.883 119 2HB SER 19 1HB SER 19 9.553 -5.971 -0.710 120 HG SER 19 HG SER 19 11.231 -7.293 -0.287 121 H SER 20 H SER 20 7.183 -6.094 -1.240 122 HA SER 20 HA SER 20 6.297 -8.913 -0.837 123 1HB SER 20 2HB SER 20 4.816 -7.702 0.879 124 2HB SER 20 1HB SER 20 6.551 -7.653 1.170 125 HG SER 20 HG SER 20 6.177 -5.571 1.237 126 H ASN 21 H ASN 21 5.703 -6.579 -3.104 127 HA ASN 21 HA ASN 21 3.933 -6.138 -4.585 128 1HB ASN 21 2HB ASN 21 4.194 -8.861 -4.143 129 2HB ASN 21 1HB ASN 21 2.472 -8.590 -3.876 130 1HD2 ASN 21 1HD2 ASN 21 5.082 -8.166 -6.288 131 2HD2 ASN 21 2HD2 ASN 21 4.042 -8.038 -7.624 132 H LEU 22 H LEU 22 3.321 -4.449 -2.857 133 HA LEU 22 HA LEU 22 0.607 -5.080 -1.725 134 1HB LEU 22 2HB LEU 22 2.779 -3.217 -0.700 135 2HB LEU 22 1HB LEU 22 1.218 -3.490 0.071 136 HG LEU 22 HG LEU 22 3.283 -5.654 -0.432 137 1HD1 LEU 22 1HD1 LEU 22 3.599 -5.549 2.040 138 2HD1 LEU 22 2HD1 LEU 22 2.553 -4.130 2.086 139 3HD1 LEU 22 3HD1 LEU 22 4.095 -4.061 1.234 140 1HD2 LEU 22 1HD2 LEU 22 0.676 -5.598 1.122 141 2HD2 LEU 22 2HD2 LEU 22 1.826 -6.934 1.148 142 3HD2 LEU 22 3HD2 LEU 22 0.996 -6.515 -0.350 143 H VAL 23 H VAL 23 -0.888 -3.221 -1.691 144 HA VAL 23 HA VAL 23 -0.147 -0.938 -3.475 145 HB VAL 23 HB VAL 23 -2.279 -1.278 -4.713 146 1HG1 VAL 23 1HG1 VAL 23 -0.085 -2.327 -5.439 147 2HG1 VAL 23 2HG1 VAL 23 -1.535 -3.116 -6.060 148 3HG1 VAL 23 3HG1 VAL 23 -0.652 -3.830 -4.711 149 1HG2 VAL 23 1HG2 VAL 23 -3.657 -2.405 -3.120 150 2HG2 VAL 23 2HG2 VAL 23 -2.469 -3.686 -2.890 151 3HG2 VAL 23 3HG2 VAL 23 -3.365 -3.577 -4.405 152 H CYS 24 H CYS 24 -1.534 0.938 -3.167 153 HA CYS 24 HA CYS 24 -2.498 1.252 -0.427 154 1HB CYS 24 2HB CYS 24 -2.372 2.949 -2.924 155 2HB CYS 24 1HB CYS 24 -3.147 3.542 -1.456 156 H SER 25 H SER 25 -4.585 0.956 0.266 157 HA SER 25 HA SER 25 -6.655 0.113 -1.664 158 1HB SER 25 2HB SER 25 -6.149 -0.984 0.555 159 2HB SER 25 1HB SER 25 -6.760 0.464 1.349 160 HG SER 25 HG SER 25 -8.541 -0.722 1.194 161 H ARG 26 H ARG 26 -8.859 1.100 -1.543 162 HA ARG 26 HA ARG 26 -8.683 4.064 -1.305 163 1HB ARG 26 2HB ARG 26 -10.618 4.051 -2.750 164 2HB ARG 26 1HB ARG 26 -9.485 2.862 -3.388 165 1HG ARG 26 2HG ARG 26 -10.743 1.045 -2.349 166 2HG ARG 26 1HG ARG 26 -11.826 2.200 -1.574 167 1HD ARG 26 2HD ARG 26 -11.494 2.101 -4.585 168 2HD ARG 26 1HD ARG 26 -12.715 1.136 -3.732 169 HE ARG 26 HE ARG 26 -13.367 3.447 -2.680 170 1HH1 ARG 26 1HH2 ARG 26 -11.297 4.664 -4.686 171 2HH1 ARG 26 2HH2 ARG 26 -12.380 5.308 -5.873 172 1HH2 ARG 26 2HH1 ARG 26 -15.131 3.529 -4.711 173 2HH2 ARG 26 1HH1 ARG 26 -14.557 4.664 -5.888 174 H LYS 27 H LYS 27 -10.391 1.277 0.073 175 HA LYS 27 HA LYS 27 -12.285 2.904 1.606 176 1HB LYS 27 2HB LYS 27 -12.126 0.301 0.719 177 2HB LYS 27 1HB LYS 27 -11.736 0.121 2.430 178 1HG LYS 27 2HG LYS 27 -14.007 1.927 1.868 179 2HG LYS 27 1HG LYS 27 -14.285 0.239 1.440 180 1HD LYS 27 2HD LYS 27 -12.985 0.219 3.958 181 2HD LYS 27 1HD LYS 27 -14.246 1.448 4.056 182 1HE LYS 27 2HE LYS 27 -15.700 -0.443 2.854 183 2HE LYS 27 1HE LYS 27 -14.514 -1.505 3.636 184 1HZ LYS 27 1HZ LYS 27 -16.347 -1.029 5.139 185 2HZ LYS 27 2HZ LYS 27 -16.079 0.640 4.978 186 3HZ LYS 27 3HZ LYS 27 -14.912 -0.343 5.727 187 H HIS 28 H HIS 28 -9.331 1.043 2.316 188 HA HIS 28 HA HIS 28 -9.286 2.027 5.114 189 1HB HIS 28 2HB HIS 28 -7.671 0.082 3.449 190 2HB HIS 28 1HB HIS 28 -7.193 0.524 5.088 191 HD1 HIS 28 HD1 HIS 28 -8.786 -0.196 7.039 192 HD2 HIS 28 HD2 HIS 28 -9.937 -1.607 3.289 193 HE1 HIS 28 HE1 HIS 28 -10.537 -1.979 7.451 194 H ALA 29 H ALA 29 -7.938 2.853 2.022 195 HA ALA 29 HA ALA 29 -6.375 4.481 1.362 196 1HB ALA 29 1HB ALA 29 -6.615 5.608 4.142 197 2HB ALA 29 2HB ALA 29 -8.013 5.620 3.067 198 3HB ALA 29 3HB ALA 29 -6.537 6.464 2.602 199 H TRP 30 H TRP 30 -5.259 2.039 2.414 200 HA TRP 30 HA TRP 30 -2.620 3.074 3.247 201 1HB TRP 30 2HB TRP 30 -2.550 1.912 5.309 202 2HB TRP 30 1HB TRP 30 -4.150 2.637 5.274 203 HD1 TRP 30 HD1 TRP 30 -5.239 0.299 3.153 204 HE1 TRP 30 HE1 TRP 30 -5.884 -1.970 4.183 205 HE3 TRP 30 HE3 TRP 30 -2.720 0.597 7.580 206 HZ2 TRP 30 HZ2 TRP 30 -5.394 -3.467 6.570 207 HZ3 TRP 30 HZ3 TRP 30 -2.826 -1.263 9.213 208 HH2 TRP 30 HH2 TRP 30 -4.159 -3.293 8.715 209 H CYS 31 H CYS 31 -0.985 1.205 3.315 210 HA CYS 31 HA CYS 31 -1.100 -0.282 0.854 211 1HB CYS 31 2HB CYS 31 0.862 0.571 2.405 212 2HB CYS 31 1HB CYS 31 0.675 -1.006 3.171 213 H LYS 32 H LYS 32 -1.681 -2.434 0.483 214 HA LYS 32 HA LYS 32 -2.431 -4.131 2.823 215 1HB LYS 32 2HB LYS 32 -4.200 -2.684 1.120 216 2HB LYS 32 1HB LYS 32 -4.378 -4.393 0.721 217 1HG LYS 32 2HG LYS 32 -4.316 -3.534 3.601 218 2HG LYS 32 1HG LYS 32 -5.806 -3.377 2.672 219 1HD LYS 32 2HD LYS 32 -5.518 -5.818 2.015 220 2HD LYS 32 1HD LYS 32 -4.236 -5.904 3.225 221 1HE LYS 32 2HE LYS 32 -5.794 -5.280 4.997 222 2HE LYS 32 1HE LYS 32 -7.090 -5.036 3.811 223 1HZ LYS 32 1HZ LYS 32 -6.870 -7.338 3.127 224 2HZ LYS 32 2HZ LYS 32 -7.189 -7.259 4.794 225 3HZ LYS 32 3HZ LYS 32 -5.615 -7.584 4.243 226 H TYR 33 H TYR 33 -2.647 -6.421 2.231 227 HA TYR 33 HA TYR 33 -0.746 -7.225 0.125 228 1HB TYR 33 2HB TYR 33 -1.840 -8.226 2.619 229 2HB TYR 33 1HB TYR 33 -1.959 -9.458 1.363 230 HD1 TYR 33 HD1 TYR 33 0.193 -9.766 -0.136 231 HD2 TYR 33 HD2 TYR 33 0.178 -7.968 3.766 232 HE1 TYR 33 HE1 TYR 33 2.619 -10.223 0.084 233 HE2 TYR 33 HE2 TYR 33 2.604 -8.425 3.985 234 HH TYR 33 HH TYR 33 4.224 -10.474 2.570 235 H GLU 34 H GLU 34 -1.349 -8.909 -1.462 236 HA GLU 34 HA GLU 34 -4.157 -8.558 -2.427 237 1HB GLU 34 2HB GLU 34 -1.456 -9.010 -3.608 238 2HB GLU 34 1HB GLU 34 -2.815 -9.747 -4.457 239 1HG GLU 34 2HG GLU 34 -2.458 -7.520 -5.363 240 2HG GLU 34 1HG GLU 34 -3.964 -7.519 -4.447 241 H ILE 35 H ILE 35 -4.787 -10.163 -0.675 242 HA ILE 35 HA ILE 35 -5.454 -12.314 -0.008 243 HB ILE 35 HB ILE 35 -4.939 -12.842 -2.956 244 1HG1 ILE 35 2HG1 ILE 35 -7.689 -12.486 -2.434 245 2HG1 ILE 35 1HG1 ILE 35 -6.876 -11.178 -1.577 246 1HG2 ILE 35 1HG2 ILE 35 -6.995 -14.421 -2.411 247 2HG2 ILE 35 2HG2 ILE 35 -6.349 -14.336 -0.772 248 3HG2 ILE 35 3HG2 ILE 35 -5.348 -14.959 -2.083 249 1HD1 ILE 35 1HD1 ILE 35 -6.305 -10.134 -3.502 250 2HD1 ILE 35 2HD1 ILE 35 -7.480 -11.194 -4.281 251 3HD1 ILE 35 3HD1 ILE 35 -5.774 -11.639 -4.254 252 1HN NH2 36 1HN NH2 36 -2.505 -13.893 0.982 253 2HN NH2 36 2HN NH2 36 -4.154 -13.335 1.340 Start of MODEL 10 1 1H GLU 1 1H GLU 1 13.125 3.808 -0.820 2 2H GLU 1 2H GLU 1 14.052 4.527 0.409 3 3H GLU 1 3H GLU 1 12.583 5.232 -0.074 4 HA GLU 1 HA GLU 1 12.889 2.598 1.286 5 1HB GLU 1 2HB GLU 1 13.368 4.545 2.696 6 2HB GLU 1 1HB GLU 1 11.888 5.333 2.152 7 1HG GLU 1 2HG GLU 1 11.510 4.318 4.344 8 2HG GLU 1 1HG GLU 1 10.566 3.458 3.129 9 H CYS 2 H CYS 2 11.149 1.278 0.950 10 HA CYS 2 HA CYS 2 8.731 2.401 -0.400 11 1HB CYS 2 2HB CYS 2 8.418 0.166 -1.198 12 2HB CYS 2 1HB CYS 2 10.152 0.464 -1.307 13 H LEU 3 H LEU 3 6.605 1.424 0.324 14 HA LEU 3 HA LEU 3 6.486 1.348 3.299 15 1HB LEU 3 2HB LEU 3 4.402 1.612 1.106 16 2HB LEU 3 1HB LEU 3 4.038 1.666 2.828 17 HG LEU 3 HG LEU 3 6.121 3.506 1.676 18 1HD1 LEU 3 1HD1 LEU 3 3.171 4.172 1.839 19 2HD1 LEU 3 2HD1 LEU 3 3.958 3.667 0.344 20 3HD1 LEU 3 3HD1 LEU 3 4.461 5.155 1.145 21 1HD2 LEU 3 1HD2 LEU 3 4.265 3.483 4.067 22 2HD2 LEU 3 2HD2 LEU 3 5.127 4.938 3.566 23 3HD2 LEU 3 3HD2 LEU 3 6.029 3.505 4.060 24 H GLY 4 H GLY 4 6.543 -0.669 4.209 25 1HA GLY 4 2HA GLY 4 6.094 -3.092 2.701 26 2HA GLY 4 1HA GLY 4 6.312 -2.996 4.447 27 H PHE 5 H PHE 5 4.496 -4.793 3.719 28 HA PHE 5 HA PHE 5 1.817 -3.966 3.213 29 1HB PHE 5 2HB PHE 5 2.645 -6.271 3.045 30 2HB PHE 5 1HB PHE 5 2.960 -6.307 4.778 31 HD1 PHE 5 HD1 PHE 5 0.267 -6.044 2.219 32 HD2 PHE 5 HD2 PHE 5 1.219 -6.751 6.348 33 HE1 PHE 5 HE1 PHE 5 -2.065 -6.776 2.633 34 HE2 PHE 5 HE2 PHE 5 -1.114 -7.483 6.760 35 HZ PHE 5 HZ PHE 5 -2.756 -7.496 4.901 36 H GLY 6 H GLY 6 0.496 -2.735 4.484 37 1HA GLY 6 2HA GLY 6 -0.707 -2.411 6.582 38 2HA GLY 6 1HA GLY 6 0.720 -2.976 7.448 39 H LYS 7 H LYS 7 2.501 -1.271 5.687 40 HA LYS 7 HA LYS 7 2.618 1.064 7.348 41 1HB LYS 7 2HB LYS 7 4.322 -0.187 5.725 42 2HB LYS 7 1HB LYS 7 3.741 1.010 4.568 43 1HG LYS 7 2HG LYS 7 5.609 2.045 5.597 44 2HG LYS 7 1HG LYS 7 4.212 2.756 6.405 45 1HD LYS 7 2HD LYS 7 5.070 0.285 7.700 46 2HD LYS 7 1HD LYS 7 6.361 1.486 7.654 47 1HE LYS 7 2HE LYS 7 5.163 3.024 8.944 48 2HE LYS 7 1HE LYS 7 3.593 2.338 8.483 49 1HZ LYS 7 1HZ LYS 7 4.142 0.327 9.699 50 2HZ LYS 7 2HZ LYS 7 4.224 1.671 10.734 51 3HZ LYS 7 3HZ LYS 7 5.651 0.968 10.138 52 H GLY 8 H GLY 8 1.681 3.086 7.094 53 1HA GLY 8 2HA GLY 8 -0.659 3.466 5.580 54 2HA GLY 8 1HA GLY 8 0.320 4.785 6.215 55 H CYS 9 H CYS 9 -1.104 4.430 3.587 56 HA CYS 9 HA CYS 9 1.135 5.315 1.847 57 1HB CYS 9 2HB CYS 9 1.208 3.055 1.280 58 2HB CYS 9 1HB CYS 9 -0.503 2.811 1.617 59 H ASN 10 H ASN 10 0.321 6.464 -0.073 60 HA ASN 10 HA ASN 10 -2.303 7.754 0.404 61 1HB ASN 10 2HB ASN 10 0.036 8.779 -0.268 62 2HB ASN 10 1HB ASN 10 -0.448 8.315 -1.899 63 1HD2 ASN 10 1HD2 ASN 10 -0.991 10.623 0.667 64 2HD2 ASN 10 2HD2 ASN 10 -2.190 11.524 -0.127 65 HA PRO 11 HA PRO 11 -4.242 4.993 -2.511 66 1HB PRO 11 2HB PRO 11 -6.605 6.371 -2.761 67 2HB PRO 11 1HB PRO 11 -6.219 5.345 -1.365 68 1HG PRO 11 2HG PRO 11 -6.039 8.309 -1.639 69 2HG PRO 11 1HG PRO 11 -6.611 7.335 -0.274 70 1HD PRO 11 2HD PRO 11 -4.152 8.462 -0.328 71 2HD PRO 11 1HD PRO 11 -4.483 6.924 0.500 72 H SER 12 H SER 12 -4.339 8.541 -3.044 73 HA SER 12 HA SER 12 -4.781 8.377 -5.901 74 1HB SER 12 2HB SER 12 -5.237 10.340 -4.395 75 2HB SER 12 1HB SER 12 -3.498 10.566 -4.231 76 HG SER 12 HG SER 12 -5.190 11.111 -6.349 77 H ASN 13 H ASN 13 -1.896 8.612 -3.847 78 HA ASN 13 HA ASN 13 -0.193 8.047 -6.255 79 1HB ASN 13 2HB ASN 13 0.294 9.756 -3.791 80 2HB ASN 13 1HB ASN 13 1.545 9.368 -4.972 81 1HD2 ASN 13 1HD2 ASN 13 1.188 10.171 -7.236 82 2HD2 ASN 13 2HD2 ASN 13 0.199 11.525 -7.495 83 H ASP 14 H ASP 14 -0.754 5.745 -5.514 84 HA ASP 14 HA ASP 14 0.064 4.662 -3.011 85 1HB ASP 14 2HB ASP 14 -0.135 2.524 -4.174 86 2HB ASP 14 1HB ASP 14 -1.413 3.602 -4.731 87 H GLN 15 H GLN 15 2.031 4.019 -2.223 88 HA GLN 15 HA GLN 15 4.369 3.876 -4.071 89 1HB GLN 15 2HB GLN 15 3.863 6.122 -2.732 90 2HB GLN 15 1HB GLN 15 4.620 5.233 -1.409 91 1HG GLN 15 2HG GLN 15 6.663 5.032 -2.542 92 2HG GLN 15 1HG GLN 15 5.927 5.333 -4.116 93 1HE2 GLN 15 1HE2 GLN 15 6.956 6.934 -1.094 94 2HE2 GLN 15 2HE2 GLN 15 6.971 8.503 -1.740 95 H CYS 16 H CYS 16 2.868 1.727 -2.790 96 HA CYS 16 HA CYS 16 4.258 0.833 -0.392 97 1HB CYS 16 2HB CYS 16 2.429 -0.465 -2.431 98 2HB CYS 16 1HB CYS 16 3.014 -1.309 -0.999 99 H CYS 17 H CYS 17 5.438 -1.362 -0.444 100 HA CYS 17 HA CYS 17 7.710 -1.214 -2.212 101 1HB CYS 17 2HB CYS 17 7.031 -2.437 0.173 102 2HB CYS 17 1HB CYS 17 7.142 -3.805 -0.935 103 H LYS 18 H LYS 18 7.695 -1.780 -4.334 104 HA LYS 18 HA LYS 18 5.565 -3.336 -5.553 105 1HB LYS 18 2HB LYS 18 8.208 -2.162 -6.421 106 2HB LYS 18 1HB LYS 18 7.238 -3.134 -7.529 107 1HG LYS 18 2HG LYS 18 5.345 -1.622 -7.273 108 2HG LYS 18 1HG LYS 18 6.213 -0.692 -6.050 109 1HD LYS 18 2HD LYS 18 7.966 -0.171 -7.755 110 2HD LYS 18 1HD LYS 18 6.984 -0.994 -8.967 111 1HE LYS 18 2HE LYS 18 5.146 0.596 -8.607 112 2HE LYS 18 1HE LYS 18 6.077 1.404 -7.331 113 1HZ LYS 18 1HZ LYS 18 6.377 2.511 -9.472 114 2HZ LYS 18 2HZ LYS 18 6.953 1.066 -10.154 115 3HZ LYS 18 3HZ LYS 18 7.836 1.842 -8.926 116 H SER 19 H SER 19 8.675 -4.137 -4.153 117 HA SER 19 HA SER 19 9.295 -6.550 -5.536 118 1HB SER 19 2HB SER 19 10.592 -7.022 -3.453 119 2HB SER 19 1HB SER 19 10.818 -5.371 -4.020 120 HG SER 19 HG SER 19 10.242 -5.878 -1.667 121 H SER 20 H SER 20 7.144 -5.949 -2.751 122 HA SER 20 HA SER 20 6.389 -8.838 -2.696 123 1HB SER 20 2HB SER 20 7.098 -7.373 -0.673 124 2HB SER 20 1HB SER 20 5.500 -6.648 -0.815 125 HG SER 20 HG SER 20 4.641 -8.424 -0.066 126 H ASN 21 H ASN 21 5.452 -6.495 -4.632 127 HA ASN 21 HA ASN 21 3.445 -5.821 -5.668 128 1HB ASN 21 2HB ASN 21 3.390 -8.682 -5.000 129 2HB ASN 21 1HB ASN 21 1.783 -8.001 -5.249 130 1HD2 ASN 21 1HD2 ASN 21 1.356 -6.949 -7.373 131 2HD2 ASN 21 2HD2 ASN 21 2.303 -7.352 -8.723 132 H LEU 22 H LEU 22 3.302 -4.276 -3.673 133 HA LEU 22 HA LEU 22 0.932 -4.963 -1.970 134 1HB LEU 22 2HB LEU 22 3.273 -3.062 -1.652 135 2HB LEU 22 1HB LEU 22 1.912 -3.114 -0.531 136 HG LEU 22 HG LEU 22 3.519 -5.581 -1.222 137 1HD1 LEU 22 1HD1 LEU 22 4.122 -4.602 1.397 138 2HD1 LEU 22 2HD1 LEU 22 4.400 -3.294 0.248 139 3HD1 LEU 22 3HD1 LEU 22 5.225 -4.838 0.042 140 1HD2 LEU 22 1HD2 LEU 22 1.635 -4.807 1.027 141 2HD2 LEU 22 2HD2 LEU 22 2.590 -6.290 1.015 142 3HD2 LEU 22 3HD2 LEU 22 1.357 -6.025 -0.218 143 H VAL 23 H VAL 23 -0.916 -3.772 -2.243 144 HA VAL 23 HA VAL 23 -0.825 -1.405 -4.080 145 HB VAL 23 HB VAL 23 -3.211 -3.034 -3.153 146 1HG1 VAL 23 1HG1 VAL 23 -2.689 -1.051 -5.365 147 2HG1 VAL 23 2HG1 VAL 23 -3.962 -1.027 -4.145 148 3HG1 VAL 23 3HG1 VAL 23 -4.026 -2.198 -5.462 149 1HG2 VAL 23 1HG2 VAL 23 -2.928 -4.119 -5.481 150 2HG2 VAL 23 2HG2 VAL 23 -1.827 -4.653 -4.212 151 3HG2 VAL 23 3HG2 VAL 23 -1.275 -3.503 -5.430 152 H CYS 24 H CYS 24 -2.380 0.398 -3.456 153 HA CYS 24 HA CYS 24 -2.143 0.959 -0.558 154 1HB CYS 24 2HB CYS 24 -1.692 2.468 -2.707 155 2HB CYS 24 1HB CYS 24 -3.416 2.807 -2.541 156 H SER 25 H SER 25 -3.999 1.579 0.725 157 HA SER 25 HA SER 25 -6.600 0.476 -0.294 158 1HB SER 25 2HB SER 25 -5.457 0.714 2.508 159 2HB SER 25 1HB SER 25 -7.037 0.042 2.120 160 HG SER 25 HG SER 25 -5.925 -1.743 1.949 161 H ARG 26 H ARG 26 -8.525 1.666 0.260 162 HA ARG 26 HA ARG 26 -8.061 4.581 0.661 163 1HB ARG 26 2HB ARG 26 -10.117 2.797 -0.557 164 2HB ARG 26 1HB ARG 26 -10.696 4.321 0.118 165 1HG ARG 26 2HG ARG 26 -8.271 4.324 -1.656 166 2HG ARG 26 1HG ARG 26 -9.876 4.235 -2.381 167 1HD ARG 26 2HD ARG 26 -10.004 6.255 -0.378 168 2HD ARG 26 1HD ARG 26 -8.536 6.553 -1.329 169 HE ARG 26 HE ARG 26 -11.226 6.147 -2.590 170 1HH1 ARG 26 2HH1 ARG 26 -8.864 6.026 -4.405 171 2HH1 ARG 26 1HH1 ARG 26 -8.721 7.666 -4.942 172 1HH2 ARG 26 1HH2 ARG 26 -10.722 8.949 -2.406 173 2HH2 ARG 26 2HH2 ARG 26 -9.776 9.327 -3.807 174 H LYS 27 H LYS 27 -9.872 1.847 2.066 175 HA LYS 27 HA LYS 27 -11.140 3.425 4.155 176 1HB LYS 27 2HB LYS 27 -11.530 0.993 2.995 177 2HB LYS 27 1HB LYS 27 -10.725 0.504 4.485 178 1HG LYS 27 2HG LYS 27 -12.560 0.948 5.718 179 2HG LYS 27 1HG LYS 27 -12.734 2.547 4.994 180 1HD LYS 27 2HD LYS 27 -14.197 1.812 3.381 181 2HD LYS 27 1HD LYS 27 -13.448 0.218 3.281 182 1HE LYS 27 2HE LYS 27 -14.435 -0.317 5.541 183 2HE LYS 27 1HE LYS 27 -15.322 1.217 5.453 184 1HZ LYS 27 1HZ LYS 27 -16.253 0.519 3.332 185 2HZ LYS 27 2HZ LYS 27 -16.642 -0.604 4.545 186 3HZ LYS 27 3HZ LYS 27 -15.417 -0.955 3.422 187 H HIS 28 H HIS 28 -8.244 1.370 3.963 188 HA HIS 28 HA HIS 28 -7.593 1.939 6.812 189 1HB HIS 28 2HB HIS 28 -6.514 0.081 4.679 190 2HB HIS 28 1HB HIS 28 -5.757 0.246 6.262 191 HD1 HIS 28 HD1 HIS 28 -8.087 0.309 8.157 192 HD2 HIS 28 HD2 HIS 28 -8.005 -2.236 4.855 193 HE1 HIS 28 HE1 HIS 28 -9.708 -1.571 8.660 194 H ALA 29 H ALA 29 -6.705 2.968 3.599 195 HA ALA 29 HA ALA 29 -5.079 4.490 2.829 196 1HB ALA 29 1HB ALA 29 -4.801 6.345 4.260 197 2HB ALA 29 2HB ALA 29 -4.817 5.342 5.711 198 3HB ALA 29 3HB ALA 29 -6.313 5.634 4.825 199 H TRP 30 H TRP 30 -4.047 1.944 3.268 200 HA TRP 30 HA TRP 30 -1.243 2.561 4.006 201 1HB TRP 30 2HB TRP 30 -1.132 0.816 5.658 202 2HB TRP 30 1HB TRP 30 -2.511 1.830 6.055 203 HD1 TRP 30 HD1 TRP 30 -3.869 0.055 3.316 204 HE1 TRP 30 HE1 TRP 30 -5.088 -2.105 4.019 205 HE3 TRP 30 HE3 TRP 30 -2.001 -0.489 8.012 206 HZ2 TRP 30 HZ2 TRP 30 -5.246 -3.838 6.294 207 HZ3 TRP 30 HZ3 TRP 30 -2.696 -2.399 9.438 208 HH2 TRP 30 HH2 TRP 30 -4.316 -4.072 8.584 209 H CYS 31 H CYS 31 -0.141 0.057 3.850 210 HA CYS 31 HA CYS 31 -0.530 -0.608 0.993 211 1HB CYS 31 2HB CYS 31 1.447 -1.355 3.158 212 2HB CYS 31 1HB CYS 31 1.498 -2.086 1.555 213 H LYS 32 H LYS 32 -1.336 -2.582 0.262 214 HA LYS 32 HA LYS 32 -2.078 -4.658 2.282 215 1HB LYS 32 2HB LYS 32 -4.332 -4.756 1.217 216 2HB LYS 32 1HB LYS 32 -4.009 -3.179 1.934 217 1HG LYS 32 2HG LYS 32 -3.735 -2.139 -0.137 218 2HG LYS 32 1HG LYS 32 -3.321 -3.646 -0.953 219 1HD LYS 32 2HD LYS 32 -5.989 -3.775 0.197 220 2HD LYS 32 1HD LYS 32 -5.837 -2.413 -0.911 221 1HE LYS 32 2HE LYS 32 -4.517 -4.659 -2.108 222 2HE LYS 32 1HE LYS 32 -6.131 -5.175 -1.583 223 1HZ LYS 32 1HZ LYS 32 -7.077 -3.224 -2.635 224 2HZ LYS 32 2HZ LYS 32 -6.200 -4.125 -3.777 225 3HZ LYS 32 3HZ LYS 32 -5.539 -2.702 -3.126 226 H TYR 33 H TYR 33 -3.119 -6.599 0.843 227 HA TYR 33 HA TYR 33 -1.140 -7.120 -1.348 228 1HB TYR 33 2HB TYR 33 -1.965 -8.525 0.986 229 2HB TYR 33 1HB TYR 33 -2.543 -9.452 -0.399 230 HD1 TYR 33 HD1 TYR 33 -0.993 -10.434 -2.001 231 HD2 TYR 33 HD2 TYR 33 0.435 -8.099 1.310 232 HE1 TYR 33 HE1 TYR 33 1.309 -11.257 -2.412 233 HE2 TYR 33 HE2 TYR 33 2.736 -8.923 0.898 234 HH TYR 33 HH TYR 33 3.594 -11.377 -0.464 235 H GLU 34 H GLU 34 -2.012 -8.568 -3.121 236 HA GLU 34 HA GLU 34 -4.651 -7.569 -4.017 237 1HB GLU 34 2HB GLU 34 -3.929 -8.552 -6.165 238 2HB GLU 34 1HB GLU 34 -2.650 -7.550 -5.483 239 1HG GLU 34 2HG GLU 34 -2.411 -10.262 -4.497 240 2HG GLU 34 1HG GLU 34 -2.460 -10.261 -6.259 241 H ILE 35 H ILE 35 -5.169 -9.183 -1.895 242 HA ILE 35 HA ILE 35 -6.573 -11.464 -3.139 243 HB ILE 35 HB ILE 35 -4.260 -12.248 -2.639 244 1HG1 ILE 35 2HG1 ILE 35 -5.854 -13.647 -0.564 245 2HG1 ILE 35 1HG1 ILE 35 -6.601 -13.546 -2.158 246 1HG2 ILE 35 1HG2 ILE 35 -4.941 -11.885 0.283 247 2HG2 ILE 35 2HG2 ILE 35 -4.055 -10.659 -0.623 248 3HG2 ILE 35 3HG2 ILE 35 -3.378 -12.276 -0.435 249 1HD1 ILE 35 1HD1 ILE 35 -5.005 -15.556 -1.621 250 2HD1 ILE 35 2HD1 ILE 35 -3.723 -14.380 -1.913 251 3HD1 ILE 35 3HD1 ILE 35 -4.884 -14.754 -3.187 252 1HN NH2 36 1HN NH2 36 -8.702 -11.529 -0.149 253 2HN NH2 36 2HN NH2 36 -7.814 -12.742 -1.096 Start of MODEL 11 1 1H GLU 1 1H GLU 1 11.226 8.769 -0.765 2 2H GLU 1 2H GLU 1 11.079 9.940 0.456 3 3H GLU 1 3H GLU 1 9.704 9.416 -0.394 4 HA GLU 1 HA GLU 1 11.361 7.643 1.330 5 1HB GLU 1 2HB GLU 1 9.720 8.046 3.048 6 2HB GLU 1 1HB GLU 1 10.232 9.624 2.457 7 1HG GLU 1 2HG GLU 1 8.000 10.023 2.246 8 2HG GLU 1 1HG GLU 1 8.143 9.075 0.767 9 H CYS 2 H CYS 2 9.978 5.704 1.942 10 HA CYS 2 HA CYS 2 7.974 4.993 -0.168 11 1HB CYS 2 2HB CYS 2 10.413 4.182 -0.514 12 2HB CYS 2 1HB CYS 2 10.101 3.099 0.843 13 H LEU 3 H LEU 3 6.405 3.441 0.536 14 HA LEU 3 HA LEU 3 6.148 3.239 3.503 15 1HB LEU 3 2HB LEU 3 4.191 2.777 1.227 16 2HB LEU 3 1HB LEU 3 3.780 2.772 2.940 17 HG LEU 3 HG LEU 3 5.254 5.174 2.093 18 1HD1 LEU 3 1HD1 LEU 3 4.053 5.680 0.261 19 2HD1 LEU 3 2HD1 LEU 3 2.606 5.719 1.266 20 3HD1 LEU 3 3HD1 LEU 3 3.073 4.227 0.452 21 1HD2 LEU 3 1HD2 LEU 3 2.977 6.050 3.227 22 2HD2 LEU 3 2HD2 LEU 3 4.320 5.430 4.187 23 3HD2 LEU 3 3HD2 LEU 3 2.945 4.388 3.818 24 H GLY 4 H GLY 4 6.517 1.289 4.479 25 1HA GLY 4 2HA GLY 4 7.170 -1.064 2.868 26 2HA GLY 4 1HA GLY 4 7.208 -0.968 4.629 27 H PHE 5 H PHE 5 6.095 -3.036 4.723 28 HA PHE 5 HA PHE 5 3.400 -3.284 3.580 29 1HB PHE 5 2HB PHE 5 4.991 -5.173 3.781 30 2HB PHE 5 1HB PHE 5 4.973 -4.994 5.535 31 HD1 PHE 5 HD1 PHE 5 3.453 -6.253 6.783 32 HD2 PHE 5 HD2 PHE 5 2.601 -5.422 2.653 33 HE1 PHE 5 HE1 PHE 5 1.426 -7.676 6.914 34 HE2 PHE 5 HE2 PHE 5 0.575 -6.846 2.786 35 HZ PHE 5 HZ PHE 5 -0.012 -7.972 4.916 36 H GLY 6 H GLY 6 1.479 -2.993 4.680 37 1HA GLY 6 2HA GLY 6 -0.003 -2.531 6.441 38 2HA GLY 6 1HA GLY 6 1.294 -2.902 7.574 39 H LYS 7 H LYS 7 1.936 -0.532 5.104 40 HA LYS 7 HA LYS 7 2.168 1.561 7.188 41 1HB LYS 7 2HB LYS 7 3.755 0.839 5.143 42 2HB LYS 7 1HB LYS 7 2.756 2.016 4.291 43 1HG LYS 7 2HG LYS 7 4.480 3.358 5.128 44 2HG LYS 7 1HG LYS 7 3.238 3.539 6.367 45 1HD LYS 7 2HD LYS 7 4.430 1.418 7.414 46 2HD LYS 7 1HD LYS 7 5.801 1.987 6.462 47 1HE LYS 7 2HE LYS 7 5.493 4.266 7.522 48 2HE LYS 7 1HE LYS 7 4.300 3.525 8.606 49 1HZ LYS 7 1HZ LYS 7 6.515 3.455 9.585 50 2HZ LYS 7 2HZ LYS 7 7.107 2.610 8.235 51 3HZ LYS 7 3HZ LYS 7 5.958 1.887 9.258 52 H GLY 8 H GLY 8 0.375 2.799 7.571 53 1HA GLY 8 2HA GLY 8 -1.895 2.897 5.798 54 2HA GLY 8 1HA GLY 8 -1.662 3.915 7.217 55 H CYS 9 H CYS 9 -1.470 3.767 3.785 56 HA CYS 9 HA CYS 9 -0.258 6.510 3.691 57 1HB CYS 9 2HB CYS 9 0.838 5.836 1.766 58 2HB CYS 9 1HB CYS 9 0.692 4.272 2.561 59 H ASN 10 H ASN 10 -1.083 7.253 1.144 60 HA ASN 10 HA ASN 10 -3.964 7.758 1.584 61 1HB ASN 10 2HB ASN 10 -1.859 8.757 -0.356 62 2HB ASN 10 1HB ASN 10 -3.542 9.282 -0.419 63 1HD2 ASN 10 1HD2 ASN 10 -0.512 9.698 1.263 64 2HD2 ASN 10 2HD2 ASN 10 -1.070 10.826 2.402 65 HA PRO 11 HA PRO 11 -5.126 4.527 -1.232 66 1HB PRO 11 2HB PRO 11 -7.729 5.299 -1.616 67 2HB PRO 11 1HB PRO 11 -7.165 4.481 -0.145 68 1HG PRO 11 2HG PRO 11 -7.677 7.378 -0.621 69 2HG PRO 11 1HG PRO 11 -8.038 6.387 0.801 70 1HD PRO 11 2HD PRO 11 -5.911 8.066 0.679 71 2HD PRO 11 1HD PRO 11 -5.908 6.568 1.638 72 H SER 12 H SER 12 -5.971 7.924 -1.974 73 HA SER 12 HA SER 12 -6.281 7.494 -4.833 74 1HB SER 12 2HB SER 12 -7.258 9.338 -3.363 75 2HB SER 12 1HB SER 12 -5.649 10.054 -3.338 76 HG SER 12 HG SER 12 -5.931 10.709 -5.321 77 H ASN 13 H ASN 13 -3.627 8.512 -2.711 78 HA ASN 13 HA ASN 13 -1.775 8.433 -5.071 79 1HB ASN 13 2HB ASN 13 -2.329 10.653 -3.821 80 2HB ASN 13 1HB ASN 13 -1.327 9.999 -2.526 81 1HD2 ASN 13 1HD2 ASN 13 0.986 9.632 -3.001 82 2HD2 ASN 13 2HD2 ASN 13 1.726 10.390 -4.327 83 H ASP 14 H ASP 14 -1.785 6.032 -4.381 84 HA ASP 14 HA ASP 14 -0.492 5.304 -1.867 85 1HB ASP 14 2HB ASP 14 -2.044 3.771 -2.841 86 2HB ASP 14 1HB ASP 14 -1.271 3.879 -4.422 87 H GLN 15 H GLN 15 1.676 5.449 -1.516 88 HA GLN 15 HA GLN 15 3.526 5.301 -3.877 89 1HB GLN 15 2HB GLN 15 3.123 7.473 -2.421 90 2HB GLN 15 1HB GLN 15 4.196 6.663 -1.280 91 1HG GLN 15 2HG GLN 15 6.019 6.764 -2.707 92 2HG GLN 15 1HG GLN 15 5.016 6.782 -4.157 93 1HE2 GLN 15 1HE2 GLN 15 6.147 8.834 -1.450 94 2HE2 GLN 15 2HE2 GLN 15 5.834 10.309 -2.231 95 H CYS 16 H CYS 16 2.638 2.956 -2.464 96 HA CYS 16 HA CYS 16 4.487 2.160 -0.388 97 1HB CYS 16 2HB CYS 16 2.395 0.948 -2.128 98 2HB CYS 16 1HB CYS 16 3.567 -0.166 -1.424 99 H CYS 17 H CYS 17 6.157 0.465 -0.639 100 HA CYS 17 HA CYS 17 8.015 1.011 -2.765 101 1HB CYS 17 2HB CYS 17 7.735 -0.817 -0.437 102 2HB CYS 17 1HB CYS 17 8.866 -1.332 -1.689 103 H LYS 18 H LYS 18 8.132 0.139 -4.787 104 HA LYS 18 HA LYS 18 6.152 -1.832 -5.675 105 1HB LYS 18 2HB LYS 18 8.249 -0.057 -6.834 106 2HB LYS 18 1HB LYS 18 7.778 -1.463 -7.790 107 1HG LYS 18 2HG LYS 18 5.335 -0.689 -7.251 108 2HG LYS 18 1HG LYS 18 6.092 0.865 -6.902 109 1HD LYS 18 2HD LYS 18 6.992 -0.401 -9.413 110 2HD LYS 18 1HD LYS 18 5.293 0.071 -9.397 111 1HE LYS 18 2HE LYS 18 5.869 2.365 -8.832 112 2HE LYS 18 1HE LYS 18 7.577 1.926 -8.634 113 1HZ LYS 18 1HZ LYS 18 7.640 1.206 -10.932 114 2HZ LYS 18 2HZ LYS 18 7.136 2.826 -10.853 115 3HZ LYS 18 3HZ LYS 18 6.001 1.594 -11.135 116 H SER 19 H SER 19 9.293 -2.067 -4.300 117 HA SER 19 HA SER 19 10.446 -4.251 -5.721 118 1HB SER 19 2HB SER 19 10.557 -3.312 -2.844 119 2HB SER 19 1HB SER 19 11.576 -4.615 -3.452 120 HG SER 19 HG SER 19 11.697 -1.895 -3.886 121 H SER 20 H SER 20 8.168 -4.223 -2.958 122 HA SER 20 HA SER 20 7.928 -7.190 -3.114 123 1HB SER 20 2HB SER 20 7.089 -5.043 -1.157 124 2HB SER 20 1HB SER 20 6.549 -6.712 -0.997 125 HG SER 20 HG SER 20 8.479 -7.254 -0.351 126 H ASN 21 H ASN 21 6.517 -4.660 -4.703 127 HA ASN 21 HA ASN 21 4.466 -4.351 -5.807 128 1HB ASN 21 2HB ASN 21 5.318 -6.930 -6.098 129 2HB ASN 21 1HB ASN 21 3.722 -7.195 -5.400 130 1HD2 ASN 21 1HD2 ASN 21 3.838 -8.090 -7.929 131 2HD2 ASN 21 2HD2 ASN 21 3.132 -7.012 -9.034 132 H LEU 22 H LEU 22 4.033 -3.295 -3.493 133 HA LEU 22 HA LEU 22 1.618 -4.631 -2.305 134 1HB LEU 22 2HB LEU 22 3.701 -2.815 -1.040 135 2HB LEU 22 1HB LEU 22 2.316 -3.511 -0.201 136 HG LEU 22 HG LEU 22 4.424 -5.181 -1.597 137 1HD1 LEU 22 1HD1 LEU 22 5.307 -5.621 0.674 138 2HD1 LEU 22 2HD1 LEU 22 4.169 -4.446 1.335 139 3HD1 LEU 22 3HD1 LEU 22 5.450 -3.917 0.244 140 1HD2 LEU 22 1HD2 LEU 22 2.151 -5.775 0.317 141 2HD2 LEU 22 2HD2 LEU 22 3.432 -6.934 -0.040 142 3HD2 LEU 22 3HD2 LEU 22 2.359 -6.382 -1.326 143 H VAL 23 H VAL 23 -0.210 -3.338 -2.022 144 HA VAL 23 HA VAL 23 -0.020 -0.475 -2.917 145 HB VAL 23 HB VAL 23 -2.319 -2.400 -3.382 146 1HG1 VAL 23 1HG1 VAL 23 -1.626 0.376 -4.334 147 2HG1 VAL 23 2HG1 VAL 23 -3.109 -0.180 -3.559 148 3HG1 VAL 23 3HG1 VAL 23 -2.757 -0.644 -5.223 149 1HG2 VAL 23 1HG2 VAL 23 -1.474 -2.483 -5.747 150 2HG2 VAL 23 2HG2 VAL 23 -0.383 -3.254 -4.595 151 3HG2 VAL 23 3HG2 VAL 23 -0.019 -1.642 -5.212 152 H CYS 24 H CYS 24 -1.839 0.861 -2.002 153 HA CYS 24 HA CYS 24 -2.276 0.188 0.835 154 1HB CYS 24 2HB CYS 24 -2.329 2.536 -0.938 155 2HB CYS 24 1HB CYS 24 -3.596 2.555 0.287 156 H SER 25 H SER 25 -4.128 -0.737 1.591 157 HA SER 25 HA SER 25 -6.284 -1.523 -0.176 158 1HB SER 25 2HB SER 25 -5.361 -2.613 1.977 159 2HB SER 25 1HB SER 25 -6.330 -1.429 2.848 160 HG SER 25 HG SER 25 -7.905 -2.780 2.533 161 H ARG 26 H ARG 26 -8.564 -0.867 0.110 162 HA ARG 26 HA ARG 26 -8.817 2.052 0.562 163 1HB ARG 26 2HB ARG 26 -9.885 0.121 -1.189 164 2HB ARG 26 1HB ARG 26 -11.236 0.618 -0.170 165 1HG ARG 26 2HG ARG 26 -10.182 3.043 -0.671 166 2HG ARG 26 1HG ARG 26 -9.658 2.209 -2.134 167 1HD ARG 26 2HD ARG 26 -12.511 1.885 -1.242 168 2HD ARG 26 1HD ARG 26 -12.032 3.372 -2.083 169 HE ARG 26 HE ARG 26 -11.437 2.053 -4.017 170 1HH1 ARG 26 1HH2 ARG 26 -14.069 0.752 -3.082 171 2HH1 ARG 26 2HH2 ARG 26 -13.665 -0.926 -3.227 172 1HH2 ARG 26 2HH1 ARG 26 -10.245 -0.356 -3.456 173 2HH2 ARG 26 1HH1 ARG 26 -11.495 -1.555 -3.439 174 H LYS 27 H LYS 27 -9.368 -0.850 2.332 175 HA LYS 27 HA LYS 27 -11.613 0.202 3.928 176 1HB LYS 27 2HB LYS 27 -10.399 -2.313 3.291 177 2HB LYS 27 1HB LYS 27 -10.391 -2.129 5.044 178 1HG LYS 27 2HG LYS 27 -12.913 -1.216 4.325 179 2HG LYS 27 1HG LYS 27 -12.647 -2.574 3.232 180 1HD LYS 27 2HD LYS 27 -13.551 -3.633 5.113 181 2HD LYS 27 1HD LYS 27 -11.818 -3.812 5.385 182 1HE LYS 27 2HE LYS 27 -12.036 -1.525 6.659 183 2HE LYS 27 1HE LYS 27 -13.756 -1.950 6.747 184 1HZ LYS 27 1HZ LYS 27 -12.538 -2.876 8.627 185 2HZ LYS 27 2HZ LYS 27 -11.496 -3.701 7.569 186 3HZ LYS 27 3HZ LYS 27 -13.143 -4.114 7.638 187 H HIS 28 H HIS 28 -8.226 -0.763 4.561 188 HA HIS 28 HA HIS 28 -8.299 0.822 7.102 189 1HB HIS 28 2HB HIS 28 -6.807 -1.564 6.057 190 2HB HIS 28 1HB HIS 28 -6.074 -0.598 7.337 191 HD1 HIS 28 HD1 HIS 28 -6.619 -1.518 9.579 192 HD2 HIS 28 HD2 HIS 28 -9.779 -2.051 6.912 193 HE1 HIS 28 HE1 HIS 28 -8.465 -2.671 10.875 194 H ALA 29 H ALA 29 -7.175 1.062 3.898 195 HA ALA 29 HA ALA 29 -5.747 2.608 2.847 196 1HB ALA 29 1HB ALA 29 -6.912 3.924 4.854 197 2HB ALA 29 2HB ALA 29 -5.633 4.669 3.895 198 3HB ALA 29 3HB ALA 29 -5.259 3.964 5.468 199 H TRP 30 H TRP 30 -4.699 0.281 4.860 200 HA TRP 30 HA TRP 30 -1.908 1.223 5.173 201 1HB TRP 30 2HB TRP 30 -1.683 -0.628 6.638 202 2HB TRP 30 1HB TRP 30 -3.331 -0.077 6.897 203 HD1 TRP 30 HD1 TRP 30 -4.557 -1.441 4.225 204 HE1 TRP 30 HE1 TRP 30 -4.917 -3.992 4.210 205 HE3 TRP 30 HE3 TRP 30 -1.362 -2.800 7.966 206 HZ2 TRP 30 HZ2 TRP 30 -3.976 -6.305 5.606 207 HZ3 TRP 30 HZ3 TRP 30 -1.115 -5.180 8.604 208 HH2 TRP 30 HH2 TRP 30 -2.417 -6.934 7.431 209 H CYS 31 H CYS 31 -0.122 -0.205 4.368 210 HA CYS 31 HA CYS 31 -0.532 -0.895 1.567 211 1HB CYS 31 2HB CYS 31 1.528 0.068 2.912 212 2HB CYS 31 1HB CYS 31 1.900 -1.637 3.167 213 H LYS 32 H LYS 32 -1.426 -2.804 0.950 214 HA LYS 32 HA LYS 32 -0.910 -5.255 2.608 215 1HB LYS 32 2HB LYS 32 -3.285 -4.022 2.058 216 2HB LYS 32 1HB LYS 32 -3.188 -5.148 0.705 217 1HG LYS 32 2HG LYS 32 -2.646 -6.956 2.440 218 2HG LYS 32 1HG LYS 32 -3.151 -5.787 3.659 219 1HD LYS 32 2HD LYS 32 -5.238 -6.603 3.315 220 2HD LYS 32 1HD LYS 32 -5.212 -5.644 1.836 221 1HE LYS 32 2HE LYS 32 -4.256 -7.612 0.615 222 2HE LYS 32 1HE LYS 32 -4.433 -8.571 2.097 223 1HZ LYS 32 1HZ LYS 32 -6.766 -8.144 2.130 224 2HZ LYS 32 2HZ LYS 32 -6.380 -8.710 0.575 225 3HZ LYS 32 3HZ LYS 32 -6.655 -7.054 0.834 226 H TYR 33 H TYR 33 -1.268 -7.296 1.066 227 HA TYR 33 HA TYR 33 0.780 -7.232 -0.968 228 1HB TYR 33 2HB TYR 33 -0.471 -9.119 0.553 229 2HB TYR 33 1HB TYR 33 -1.265 -9.381 -1.000 230 HD1 TYR 33 HD1 TYR 33 1.934 -9.478 0.821 231 HD2 TYR 33 HD2 TYR 33 0.004 -10.105 -2.967 232 HE1 TYR 33 HE1 TYR 33 3.941 -10.678 -0.003 233 HE2 TYR 33 HE2 TYR 33 2.012 -11.306 -3.790 234 HH TYR 33 HH TYR 33 4.131 -12.665 -2.178 235 H GLU 34 H GLU 34 0.497 -7.488 -3.276 236 HA GLU 34 HA GLU 34 -1.553 -5.878 -4.476 237 1HB GLU 34 2HB GLU 34 0.752 -7.522 -5.244 238 2HB GLU 34 1HB GLU 34 -0.528 -7.546 -6.457 239 1HG GLU 34 2HG GLU 34 -0.011 -4.872 -5.352 240 2HG GLU 34 1HG GLU 34 1.368 -5.561 -6.207 241 H ILE 35 H ILE 35 -3.684 -6.445 -4.683 242 HA ILE 35 HA ILE 35 -4.453 -9.318 -4.674 243 HB ILE 35 HB ILE 35 -6.046 -6.732 -4.539 244 1HG1 ILE 35 2HG1 ILE 35 -6.218 -8.282 -2.160 245 2HG1 ILE 35 1HG1 ILE 35 -4.509 -8.194 -2.586 246 1HG2 ILE 35 1HG2 ILE 35 -7.843 -8.329 -3.670 247 2HG2 ILE 35 2HG2 ILE 35 -6.846 -9.642 -4.298 248 3HG2 ILE 35 3HG2 ILE 35 -7.500 -8.428 -5.398 249 1HD1 ILE 35 1HD1 ILE 35 -4.514 -5.817 -2.561 250 2HD1 ILE 35 2HD1 ILE 35 -5.434 -6.286 -1.132 251 3HD1 ILE 35 3HD1 ILE 35 -6.276 -5.743 -2.583 252 1HN NH2 36 1HN NH2 36 -5.643 -9.684 -7.941 253 2HN NH2 36 2HN NH2 36 -5.852 -10.207 -6.256 Start of MODEL 12 1 1H GLU 1 1H GLU 1 11.593 7.602 2.796 2 2H GLU 1 2H GLU 1 12.111 7.201 1.228 3 3H GLU 1 3H GLU 1 13.226 7.244 2.508 4 HA GLU 1 HA GLU 1 12.688 4.950 1.992 5 1HB GLU 1 2HB GLU 1 13.137 5.812 4.313 6 2HB GLU 1 1HB GLU 1 11.395 5.946 4.552 7 1HG GLU 1 2HG GLU 1 11.296 3.767 5.101 8 2HG GLU 1 1HG GLU 1 11.947 3.333 3.520 9 H CYS 2 H CYS 2 11.132 3.468 1.346 10 HA CYS 2 HA CYS 2 8.505 4.409 0.544 11 1HB CYS 2 2HB CYS 2 8.238 1.997 -0.081 12 2HB CYS 2 1HB CYS 2 9.745 2.688 -0.677 13 H LEU 3 H LEU 3 6.512 3.004 1.229 14 HA LEU 3 HA LEU 3 6.420 2.979 4.212 15 1HB LEU 3 2HB LEU 3 4.338 3.065 2.007 16 2HB LEU 3 1HB LEU 3 3.927 2.969 3.719 17 HG LEU 3 HG LEU 3 5.692 5.139 2.553 18 1HD1 LEU 3 1HD1 LEU 3 3.658 6.587 2.808 19 2HD1 LEU 3 2HD1 LEU 3 2.713 5.133 3.130 20 3HD1 LEU 3 3HD1 LEU 3 3.482 5.354 1.559 21 1HD2 LEU 3 1HD2 LEU 3 4.376 4.631 5.228 22 2HD2 LEU 3 2HD2 LEU 3 4.877 6.251 4.744 23 3HD2 LEU 3 3HD2 LEU 3 6.074 4.964 4.890 24 H GLY 4 H GLY 4 6.337 1.048 5.279 25 1HA GLY 4 2HA GLY 4 6.419 -1.464 3.841 26 2HA GLY 4 1HA GLY 4 6.351 -1.282 5.593 27 H PHE 5 H PHE 5 4.830 -3.158 5.403 28 HA PHE 5 HA PHE 5 2.224 -2.786 4.156 29 1HB PHE 5 2HB PHE 5 3.173 -4.990 4.386 30 2HB PHE 5 1HB PHE 5 3.416 -4.769 6.117 31 HD1 PHE 5 HD1 PHE 5 0.494 -4.171 3.820 32 HD2 PHE 5 HD2 PHE 5 1.987 -6.146 7.332 33 HE1 PHE 5 HE1 PHE 5 -1.765 -5.089 4.266 34 HE2 PHE 5 HE2 PHE 5 -0.273 -7.063 7.775 35 HZ PHE 5 HZ PHE 5 -2.149 -6.535 6.243 36 H GLY 6 H GLY 6 0.412 -1.896 5.061 37 1HA GLY 6 2HA GLY 6 -1.093 -1.172 6.726 38 2HA GLY 6 1HA GLY 6 0.024 -1.756 7.956 39 H LYS 7 H LYS 7 0.705 0.556 5.335 40 HA LYS 7 HA LYS 7 1.263 2.636 7.428 41 1HB LYS 7 2HB LYS 7 2.777 1.562 5.102 42 2HB LYS 7 1HB LYS 7 2.873 3.305 5.348 43 1HG LYS 7 2HG LYS 7 3.246 1.481 7.702 44 2HG LYS 7 1HG LYS 7 4.581 1.705 6.571 45 1HD LYS 7 2HD LYS 7 4.999 3.799 7.316 46 2HD LYS 7 1HD LYS 7 3.290 4.231 7.299 47 1HE LYS 7 2HE LYS 7 4.034 2.313 9.428 48 2HE LYS 7 1HE LYS 7 4.748 3.929 9.597 49 1HZ LYS 7 1HZ LYS 7 1.873 3.316 9.143 50 2HZ LYS 7 2HZ LYS 7 2.536 4.879 9.184 51 3HZ LYS 7 3HZ LYS 7 2.553 3.909 10.578 52 H GLY 8 H GLY 8 -0.032 4.417 7.198 53 1HA GLY 8 2HA GLY 8 -2.017 4.767 5.253 54 2HA GLY 8 1HA GLY 8 -1.339 6.093 6.195 55 H CYS 9 H CYS 9 -1.979 5.325 3.147 56 HA CYS 9 HA CYS 9 0.182 7.037 2.055 57 1HB CYS 9 2HB CYS 9 1.316 5.135 1.492 58 2HB CYS 9 1HB CYS 9 -0.085 4.113 1.790 59 H ASN 10 H ASN 10 -0.375 7.739 -0.194 60 HA ASN 10 HA ASN 10 -3.314 7.963 -0.538 61 1HB ASN 10 2HB ASN 10 -2.660 9.715 -2.185 62 2HB ASN 10 1HB ASN 10 -1.924 9.985 -0.609 63 1HD2 ASN 10 1HD2 ASN 10 0.396 9.842 -0.453 64 2HD2 ASN 10 2HD2 ASN 10 1.391 9.600 -1.807 65 HA PRO 11 HA PRO 11 -3.311 4.781 -3.613 66 1HB PRO 11 2HB PRO 11 -5.755 5.331 -4.725 67 2HB PRO 11 1HB PRO 11 -5.556 4.519 -3.159 68 1HG PRO 11 2HG PRO 11 -6.178 7.375 -3.744 69 2HG PRO 11 1HG PRO 11 -6.842 6.310 -2.495 70 1HD PRO 11 2HD PRO 11 -4.938 8.167 -1.977 71 2HD PRO 11 1HD PRO 11 -5.064 6.639 -1.078 72 H SER 12 H SER 12 -3.973 8.165 -4.493 73 HA SER 12 HA SER 12 -3.863 7.974 -7.323 74 1HB SER 12 2HB SER 12 -4.485 9.949 -5.886 75 2HB SER 12 1HB SER 12 -2.773 10.177 -5.545 76 HG SER 12 HG SER 12 -4.217 10.557 -7.912 77 H ASN 13 H ASN 13 -1.236 8.243 -4.944 78 HA ASN 13 HA ASN 13 0.714 7.525 -7.105 79 1HB ASN 13 2HB ASN 13 0.461 9.969 -5.764 80 2HB ASN 13 1HB ASN 13 1.786 9.162 -4.927 81 1HD2 ASN 13 1HD2 ASN 13 3.810 9.193 -5.962 82 2HD2 ASN 13 2HD2 ASN 13 4.053 9.664 -7.574 83 H ASP 14 H ASP 14 0.244 5.310 -6.161 84 HA ASP 14 HA ASP 14 0.876 4.629 -3.442 85 1HB ASP 14 2HB ASP 14 -0.466 3.151 -4.745 86 2HB ASP 14 1HB ASP 14 0.707 3.123 -6.061 87 H GLN 15 H GLN 15 2.867 4.786 -2.527 88 HA GLN 15 HA GLN 15 5.269 4.073 -4.176 89 1HB GLN 15 2HB GLN 15 4.688 6.581 -3.547 90 2HB GLN 15 1HB GLN 15 5.352 6.122 -1.978 91 1HG GLN 15 2HG GLN 15 7.473 5.608 -2.897 92 2HG GLN 15 1HG GLN 15 6.838 5.544 -4.541 93 1HE2 GLN 15 1HE2 GLN 15 6.927 7.471 -5.755 94 2HE2 GLN 15 2HE2 GLN 15 7.326 8.988 -5.107 95 H CYS 16 H CYS 16 3.980 2.150 -2.646 96 HA CYS 16 HA CYS 16 5.046 1.995 0.072 97 1HB CYS 16 2HB CYS 16 3.343 0.424 -1.789 98 2HB CYS 16 1HB CYS 16 4.176 -0.506 -0.545 99 H CYS 17 H CYS 17 6.232 -0.215 0.607 100 HA CYS 17 HA CYS 17 8.774 -0.206 -0.833 101 1HB CYS 17 2HB CYS 17 7.628 -1.976 1.354 102 2HB CYS 17 1HB CYS 17 9.320 -1.950 0.863 103 H LYS 18 H LYS 18 9.553 -1.813 -2.235 104 HA LYS 18 HA LYS 18 7.523 -3.603 -3.442 105 1HB LYS 18 2HB LYS 18 9.231 -2.051 -4.626 106 2HB LYS 18 1HB LYS 18 10.427 -3.281 -4.218 107 1HG LYS 18 2HG LYS 18 9.755 -4.047 -6.299 108 2HG LYS 18 1HG LYS 18 8.617 -4.915 -5.269 109 1HD LYS 18 2HD LYS 18 6.830 -3.578 -5.876 110 2HD LYS 18 1HD LYS 18 7.851 -2.179 -6.204 111 1HE LYS 18 2HE LYS 18 7.190 -2.889 -8.368 112 2HE LYS 18 1HE LYS 18 8.789 -3.635 -8.176 113 1HZ LYS 18 1HZ LYS 18 7.751 -5.645 -7.377 114 2HZ LYS 18 2HZ LYS 18 7.093 -5.248 -8.892 115 3HZ LYS 18 3HZ LYS 18 6.211 -4.941 -7.473 116 H SER 19 H SER 19 8.819 -4.125 -0.687 117 HA SER 19 HA SER 19 10.587 -6.406 -0.996 118 1HB SER 19 2HB SER 19 10.319 -4.797 0.976 119 2HB SER 19 1HB SER 19 8.840 -5.668 1.368 120 HG SER 19 HG SER 19 10.715 -6.475 2.461 121 H SER 20 H SER 20 7.125 -6.091 -0.086 122 HA SER 20 HA SER 20 6.762 -8.982 -0.813 123 1HB SER 20 2HB SER 20 6.380 -7.802 1.590 124 2HB SER 20 1HB SER 20 4.794 -7.518 0.880 125 HG SER 20 HG SER 20 4.417 -9.518 1.384 126 H ASN 21 H ASN 21 6.585 -6.483 -2.571 127 HA ASN 21 HA ASN 21 5.156 -5.578 -4.216 128 1HB ASN 21 2HB ASN 21 4.276 -8.446 -3.833 129 2HB ASN 21 1HB ASN 21 3.558 -7.427 -5.081 130 1HD2 ASN 21 1HD2 ASN 21 6.612 -8.935 -4.030 131 2HD2 ASN 21 2HD2 ASN 21 7.411 -8.740 -5.515 132 H LEU 22 H LEU 22 4.345 -4.297 -2.128 133 HA LEU 22 HA LEU 22 1.495 -4.934 -1.507 134 1HB LEU 22 2HB LEU 22 3.622 -3.141 -0.313 135 2HB LEU 22 1HB LEU 22 1.944 -3.106 0.231 136 HG LEU 22 HG LEU 22 2.862 -5.841 0.080 137 1HD1 LEU 22 1HD1 LEU 22 4.529 -5.657 1.960 138 2HD1 LEU 22 2HD1 LEU 22 4.548 -3.912 1.702 139 3HD1 LEU 22 3HD1 LEU 22 5.104 -4.999 0.429 140 1HD2 LEU 22 1HD2 LEU 22 2.091 -4.067 2.422 141 2HD2 LEU 22 2HD2 LEU 22 2.130 -5.831 2.432 142 3HD2 LEU 22 3HD2 LEU 22 0.961 -4.981 1.421 143 H VAL 23 H VAL 23 -0.089 -3.159 -1.594 144 HA VAL 23 HA VAL 23 0.645 -0.927 -3.460 145 HB VAL 23 HB VAL 23 -1.586 -1.340 -4.552 146 1HG1 VAL 23 1HG1 VAL 23 0.628 -2.288 -5.376 147 2HG1 VAL 23 2HG1 VAL 23 -0.813 -3.151 -5.915 148 3HG1 VAL 23 3HG1 VAL 23 0.169 -3.806 -4.604 149 1HG2 VAL 23 1HG2 VAL 23 -2.983 -3.057 -3.919 150 2HG2 VAL 23 2HG2 VAL 23 -2.220 -2.773 -2.356 151 3HG2 VAL 23 3HG2 VAL 23 -1.652 -4.085 -3.387 152 H CYS 24 H CYS 24 -1.054 0.851 -3.382 153 HA CYS 24 HA CYS 24 -1.826 1.351 -0.568 154 1HB CYS 24 2HB CYS 24 -0.683 2.901 -2.409 155 2HB CYS 24 1HB CYS 24 -2.361 3.229 -2.841 156 H SER 25 H SER 25 -3.932 1.271 0.153 157 HA SER 25 HA SER 25 -6.043 0.482 -1.801 158 1HB SER 25 2HB SER 25 -5.290 -0.549 0.586 159 2HB SER 25 1HB SER 25 -6.518 0.584 1.137 160 HG SER 25 HG SER 25 -6.834 -1.792 -0.029 161 H ARG 26 H ARG 26 -7.955 1.704 -2.023 162 HA ARG 26 HA ARG 26 -7.786 4.535 -1.230 163 1HB ARG 26 2HB ARG 26 -9.675 4.775 -2.729 164 2HB ARG 26 1HB ARG 26 -8.529 3.670 -3.482 165 1HG ARG 26 2HG ARG 26 -9.858 1.745 -2.645 166 2HG ARG 26 1HG ARG 26 -11.020 2.871 -1.944 167 1HD ARG 26 2HD ARG 26 -11.496 3.796 -4.187 168 2HD ARG 26 1HD ARG 26 -10.332 2.660 -4.897 169 HE ARG 26 HE ARG 26 -12.796 1.794 -3.426 170 1HH1 ARG 26 2HH1 ARG 26 -12.720 1.751 -6.447 171 2HH1 ARG 26 1HH1 ARG 26 -12.283 0.105 -6.765 172 1HH2 ARG 26 1HH2 ARG 26 -11.180 -0.505 -3.526 173 2HH2 ARG 26 2HH2 ARG 26 -11.409 -1.175 -5.107 174 H LYS 27 H LYS 27 -9.615 1.655 -0.284 175 HA LYS 27 HA LYS 27 -11.550 3.119 1.358 176 1HB LYS 27 2HB LYS 27 -11.894 0.902 0.181 177 2HB LYS 27 1HB LYS 27 -10.795 0.181 1.356 178 1HG LYS 27 2HG LYS 27 -12.289 0.416 3.110 179 2HG LYS 27 1HG LYS 27 -13.088 1.810 2.382 180 1HD LYS 27 2HD LYS 27 -14.423 0.500 1.004 181 2HD LYS 27 1HD LYS 27 -13.278 -0.842 0.998 182 1HE LYS 27 2HE LYS 27 -13.864 -1.422 3.296 183 2HE LYS 27 1HE LYS 27 -14.923 -0.004 3.414 184 1HZ LYS 27 1HZ LYS 27 -16.229 -0.851 1.572 185 2HZ LYS 27 2HZ LYS 27 -16.174 -2.005 2.818 186 3HZ LYS 27 3HZ LYS 27 -15.213 -2.203 1.431 187 H HIS 28 H HIS 28 -8.548 1.303 1.897 188 HA HIS 28 HA HIS 28 -8.677 1.735 4.825 189 1HB HIS 28 2HB HIS 28 -6.639 0.412 2.999 190 2HB HIS 28 1HB HIS 28 -6.618 0.344 4.760 191 HD1 HIS 28 HD1 HIS 28 -8.301 -1.099 1.768 192 HD2 HIS 28 HD2 HIS 28 -8.764 -1.219 5.909 193 HE1 HIS 28 HE1 HIS 28 -9.891 -3.008 2.257 194 H ALA 29 H ALA 29 -7.249 3.211 2.008 195 HA ALA 29 HA ALA 29 -5.847 5.081 1.751 196 1HB ALA 29 1HB ALA 29 -6.259 6.777 3.313 197 2HB ALA 29 2HB ALA 29 -6.297 5.652 4.670 198 3HB ALA 29 3HB ALA 29 -7.655 5.725 3.548 199 H TRP 30 H TRP 30 -4.647 2.498 2.644 200 HA TRP 30 HA TRP 30 -2.069 3.598 3.592 201 1HB TRP 30 2HB TRP 30 -1.987 2.295 5.565 202 2HB TRP 30 1HB TRP 30 -3.615 2.956 5.546 203 HD1 TRP 30 HD1 TRP 30 -4.332 0.644 3.136 204 HE1 TRP 30 HE1 TRP 30 -4.989 -1.684 4.022 205 HE3 TRP 30 HE3 TRP 30 -2.457 0.959 7.861 206 HZ2 TRP 30 HZ2 TRP 30 -4.750 -3.212 6.430 207 HZ3 TRP 30 HZ3 TRP 30 -2.683 -0.942 9.436 208 HH2 TRP 30 HH2 TRP 30 -3.826 -3.026 8.727 209 H CYS 31 H CYS 31 -0.624 1.331 3.955 210 HA CYS 31 HA CYS 31 -0.467 0.233 1.242 211 1HB CYS 31 2HB CYS 31 1.369 0.885 3.052 212 2HB CYS 31 1HB CYS 31 1.128 -0.783 3.569 213 H LYS 32 H LYS 32 -2.274 -1.113 0.926 214 HA LYS 32 HA LYS 32 -2.889 -3.241 2.900 215 1HB LYS 32 2HB LYS 32 -4.660 -1.873 1.831 216 2HB LYS 32 1HB LYS 32 -4.134 -2.435 0.246 217 1HG LYS 32 2HG LYS 32 -5.885 -3.907 0.690 218 2HG LYS 32 1HG LYS 32 -4.506 -4.826 1.290 219 1HD LYS 32 2HD LYS 32 -4.981 -3.705 3.566 220 2HD LYS 32 1HD LYS 32 -6.542 -3.261 2.876 221 1HE LYS 32 2HE LYS 32 -6.504 -5.883 2.201 222 2HE LYS 32 1HE LYS 32 -5.533 -5.942 3.685 223 1HZ LYS 32 1HZ LYS 32 -7.818 -6.083 4.310 224 2HZ LYS 32 2HZ LYS 32 -8.231 -4.742 3.354 225 3HZ LYS 32 3HZ LYS 32 -7.273 -4.537 4.743 226 H TYR 33 H TYR 33 -2.531 -5.441 2.479 227 HA TYR 33 HA TYR 33 -0.605 -6.085 0.330 228 1HB TYR 33 2HB TYR 33 -0.335 -6.873 2.670 229 2HB TYR 33 1HB TYR 33 -1.866 -7.740 2.548 230 HD1 TYR 33 HD1 TYR 33 1.533 -7.482 1.007 231 HD2 TYR 33 HD2 TYR 33 -1.951 -9.915 1.635 232 HE1 TYR 33 HE1 TYR 33 2.707 -9.422 0.005 233 HE2 TYR 33 HE2 TYR 33 -0.777 -11.855 0.633 234 HH TYR 33 HH TYR 33 2.057 -12.372 0.412 235 H GLU 34 H GLU 34 -1.615 -6.332 -1.656 236 HA GLU 34 HA GLU 34 -4.192 -7.845 -1.782 237 1HB GLU 34 2HB GLU 34 -2.995 -5.561 -3.109 238 2HB GLU 34 1HB GLU 34 -3.487 -6.769 -4.294 239 1HG GLU 34 2HG GLU 34 -5.326 -5.907 -2.060 240 2HG GLU 34 1HG GLU 34 -5.258 -5.035 -3.591 241 H ILE 35 H ILE 35 -4.355 -9.199 -3.900 242 HA ILE 35 HA ILE 35 -2.185 -11.168 -3.899 243 HB ILE 35 HB ILE 35 -4.729 -10.867 -5.537 244 1HG1 ILE 35 2HG1 ILE 35 -4.751 -13.008 -3.615 245 2HG1 ILE 35 1HG1 ILE 35 -4.301 -11.513 -2.796 246 1HG2 ILE 35 1HG2 ILE 35 -4.452 -13.197 -6.127 247 2HG2 ILE 35 2HG2 ILE 35 -3.034 -13.340 -5.089 248 3HG2 ILE 35 3HG2 ILE 35 -2.961 -12.354 -6.549 249 1HD1 ILE 35 1HD1 ILE 35 -6.277 -10.387 -3.634 250 2HD1 ILE 35 2HD1 ILE 35 -6.783 -11.902 -2.886 251 3HD1 ILE 35 3HD1 ILE 35 -6.690 -11.774 -4.642 252 1HN NH2 36 1HN NH2 36 -0.496 -10.633 -6.936 253 2HN NH2 36 2HN NH2 36 -1.122 -11.903 -5.863 Start of MODEL 13 1 1H GLU 1 1H GLU 1 11.611 6.552 -3.213 2 2H GLU 1 2H GLU 1 12.415 7.863 -2.493 3 3H GLU 1 3H GLU 1 10.723 7.881 -2.646 4 HA GLU 1 HA GLU 1 12.311 6.043 -0.917 5 1HB GLU 1 2HB GLU 1 10.729 8.576 -0.577 6 2HB GLU 1 1HB GLU 1 10.773 7.417 0.752 7 1HG GLU 1 2HG GLU 1 13.318 8.305 -0.603 8 2HG GLU 1 1HG GLU 1 12.593 9.271 0.684 9 H CYS 2 H CYS 2 11.218 4.192 -0.364 10 HA CYS 2 HA CYS 2 8.470 3.792 -1.390 11 1HB CYS 2 2HB CYS 2 8.961 1.502 -1.115 12 2HB CYS 2 1HB CYS 2 10.527 2.201 -1.513 13 H LEU 3 H LEU 3 6.852 2.738 0.092 14 HA LEU 3 HA LEU 3 6.878 4.088 2.757 15 1HB LEU 3 2HB LEU 3 4.708 2.855 1.029 16 2HB LEU 3 1HB LEU 3 4.415 3.612 2.594 17 HG LEU 3 HG LEU 3 5.988 5.230 0.669 18 1HD1 LEU 3 1HD1 LEU 3 4.539 4.870 -1.039 19 2HD1 LEU 3 2HD1 LEU 3 3.425 5.866 -0.101 20 3HD1 LEU 3 3HD1 LEU 3 3.345 4.107 0.013 21 1HD2 LEU 3 1HD2 LEU 3 5.149 5.917 2.984 22 2HD2 LEU 3 2HD2 LEU 3 3.525 5.922 2.295 23 3HD2 LEU 3 3HD2 LEU 3 4.751 7.025 1.671 24 H GLY 4 H GLY 4 6.361 2.875 4.665 25 1HA GLY 4 2HA GLY 4 7.168 0.048 4.556 26 2HA GLY 4 1HA GLY 4 6.849 0.979 6.018 27 H PHE 5 H PHE 5 5.437 -0.557 6.944 28 HA PHE 5 HA PHE 5 3.062 -1.447 5.417 29 1HB PHE 5 2HB PHE 5 4.453 -2.910 6.935 30 2HB PHE 5 1HB PHE 5 3.876 -1.949 8.297 31 HD1 PHE 5 HD1 PHE 5 2.073 -2.834 9.468 32 HD2 PHE 5 HD2 PHE 5 2.409 -3.609 5.255 33 HE1 PHE 5 HE1 PHE 5 0.002 -4.195 9.552 34 HE2 PHE 5 HE2 PHE 5 0.340 -4.968 5.339 35 HZ PHE 5 HZ PHE 5 -0.867 -5.262 7.487 36 H GLY 6 H GLY 6 1.086 -0.473 5.599 37 1HA GLY 6 2HA GLY 6 -0.671 0.815 6.481 38 2HA GLY 6 1HA GLY 6 0.206 0.882 8.010 39 H LYS 7 H LYS 7 1.096 2.006 4.732 40 HA LYS 7 HA LYS 7 1.478 4.753 5.886 41 1HB LYS 7 2HB LYS 7 3.151 2.935 4.238 42 2HB LYS 7 1HB LYS 7 3.160 4.628 3.741 43 1HG LYS 7 2HG LYS 7 3.507 3.918 6.642 44 2HG LYS 7 1HG LYS 7 4.881 3.817 5.543 45 1HD LYS 7 2HD LYS 7 5.126 6.056 5.522 46 2HD LYS 7 1HD LYS 7 3.421 6.292 5.134 47 1HE LYS 7 2HE LYS 7 3.443 7.276 7.233 48 2HE LYS 7 1HE LYS 7 3.172 5.597 7.738 49 1HZ LYS 7 1HZ LYS 7 5.574 5.292 7.875 50 2HZ LYS 7 2HZ LYS 7 5.069 6.546 8.903 51 3HZ LYS 7 3HZ LYS 7 5.825 6.909 7.426 52 H GLY 8 H GLY 8 0.169 6.256 4.938 53 1HA GLY 8 2HA GLY 8 -1.746 5.748 2.959 54 2HA GLY 8 1HA GLY 8 -1.144 7.359 3.335 55 H CYS 9 H CYS 9 -1.630 5.433 0.802 56 HA CYS 9 HA CYS 9 0.555 6.685 -0.786 57 1HB CYS 9 2HB CYS 9 0.911 4.377 -1.840 58 2HB CYS 9 1HB CYS 9 1.495 4.560 -0.188 59 H ASN 10 H ASN 10 0.115 6.078 -3.234 60 HA ASN 10 HA ASN 10 -2.765 6.602 -3.736 61 1HB ASN 10 2HB ASN 10 -1.164 8.108 -4.729 62 2HB ASN 10 1HB ASN 10 -0.211 6.767 -5.359 63 1HD2 ASN 10 1HD2 ASN 10 -0.436 7.234 -7.597 64 2HD2 ASN 10 2HD2 ASN 10 -1.925 7.206 -8.407 65 HA PRO 11 HA PRO 11 -3.188 2.273 -4.784 66 1HB PRO 11 2HB PRO 11 -5.793 2.425 -5.624 67 2HB PRO 11 1HB PRO 11 -5.319 2.390 -3.914 68 1HG PRO 11 2HG PRO 11 -6.074 4.712 -5.621 69 2HG PRO 11 1HG PRO 11 -6.497 4.367 -3.937 70 1HD PRO 11 2HD PRO 11 -4.561 6.131 -4.635 71 2HD PRO 11 1HD PRO 11 -4.508 5.187 -3.128 72 H SER 12 H SER 12 -4.300 4.858 -7.013 73 HA SER 12 HA SER 12 -4.473 3.359 -9.413 74 1HB SER 12 2HB SER 12 -3.675 6.210 -8.779 75 2HB SER 12 1HB SER 12 -3.880 5.641 -10.434 76 HG SER 12 HG SER 12 -5.752 6.140 -8.458 77 H ASN 13 H ASN 13 -1.659 4.757 -7.785 78 HA ASN 13 HA ASN 13 0.128 3.155 -9.567 79 1HB ASN 13 2HB ASN 13 -0.099 5.662 -10.141 80 2HB ASN 13 1HB ASN 13 0.732 5.969 -8.616 81 1HD2 ASN 13 1HD2 ASN 13 3.005 5.427 -8.473 82 2HD2 ASN 13 2HD2 ASN 13 3.907 4.958 -9.831 83 H ASP 14 H ASP 14 0.066 1.703 -7.657 84 HA ASP 14 HA ASP 14 0.675 2.309 -5.000 85 1HB ASP 14 2HB ASP 14 1.314 -0.015 -4.836 86 2HB ASP 14 1HB ASP 14 0.037 0.096 -6.045 87 H GLN 15 H GLN 15 2.465 2.981 -3.915 88 HA GLN 15 HA GLN 15 5.120 2.894 -5.304 89 1HB GLN 15 2HB GLN 15 5.466 5.203 -4.322 90 2HB GLN 15 1HB GLN 15 4.210 5.125 -5.555 91 1HG GLN 15 2HG GLN 15 2.469 5.244 -3.957 92 2HG GLN 15 1HG GLN 15 3.545 4.818 -2.627 93 1HE2 GLN 15 1HE2 GLN 15 5.344 6.505 -2.175 94 2HE2 GLN 15 2HE2 GLN 15 4.943 8.139 -2.391 95 H CYS 16 H CYS 16 3.906 1.178 -3.181 96 HA CYS 16 HA CYS 16 5.315 1.927 -0.694 97 1HB CYS 16 2HB CYS 16 2.962 0.740 -1.185 98 2HB CYS 16 1HB CYS 16 3.970 -0.707 -1.134 99 H CYS 17 H CYS 17 6.723 0.193 0.347 100 HA CYS 17 HA CYS 17 8.849 -0.619 -1.432 101 1HB CYS 17 2HB CYS 17 8.306 -0.405 1.359 102 2HB CYS 17 1HB CYS 17 8.858 -2.053 1.061 103 H LYS 18 H LYS 18 8.812 -2.375 -2.765 104 HA LYS 18 HA LYS 18 6.756 -4.451 -2.501 105 1HB LYS 18 2HB LYS 18 8.610 -3.398 -4.471 106 2HB LYS 18 1HB LYS 18 8.675 -5.160 -4.442 107 1HG LYS 18 2HG LYS 18 6.910 -4.837 -5.911 108 2HG LYS 18 1HG LYS 18 6.037 -4.939 -4.383 109 1HD LYS 18 2HD LYS 18 7.017 -2.234 -5.102 110 2HD LYS 18 1HD LYS 18 5.752 -2.881 -6.146 111 1HE LYS 18 2HE LYS 18 5.409 -3.111 -3.167 112 2HE LYS 18 1HE LYS 18 5.079 -1.558 -3.959 113 1HZ LYS 18 1HZ LYS 18 3.953 -4.191 -4.766 114 2HZ LYS 18 2HZ LYS 18 3.662 -2.711 -5.551 115 3HZ LYS 18 3HZ LYS 18 3.105 -2.960 -3.966 116 H SER 19 H SER 19 9.679 -4.028 -0.919 117 HA SER 19 HA SER 19 10.926 -6.604 -1.090 118 1HB SER 19 2HB SER 19 11.971 -5.846 1.061 119 2HB SER 19 1HB SER 19 12.026 -4.618 -0.200 120 HG SER 19 HG SER 19 10.617 -4.688 2.182 121 H SER 20 H SER 20 8.303 -5.352 0.966 122 HA SER 20 HA SER 20 8.089 -7.992 2.344 123 1HB SER 20 2HB SER 20 7.021 -5.202 2.807 124 2HB SER 20 1HB SER 20 6.416 -6.582 3.717 125 HG SER 20 HG SER 20 8.123 -5.692 4.845 126 H ASN 21 H ASN 21 7.027 -6.946 -0.525 127 HA ASN 21 HA ASN 21 5.168 -7.419 -1.887 128 1HB ASN 21 2HB ASN 21 5.855 -9.624 -0.460 129 2HB ASN 21 1HB ASN 21 4.188 -9.430 0.075 130 1HD2 ASN 21 1HD2 ASN 21 2.480 -9.475 -1.624 131 2HD2 ASN 21 2HD2 ASN 21 2.795 -10.214 -3.120 132 H LEU 22 H LEU 22 4.585 -5.169 -0.639 133 HA LEU 22 HA LEU 22 1.970 -5.535 0.783 134 1HB LEU 22 2HB LEU 22 3.991 -3.272 0.680 135 2HB LEU 22 1HB LEU 22 2.460 -3.188 1.551 136 HG LEU 22 HG LEU 22 4.548 -5.330 2.042 137 1HD1 LEU 22 1HD1 LEU 22 4.003 -2.761 3.565 138 2HD1 LEU 22 2HD1 LEU 22 5.460 -3.127 2.639 139 3HD1 LEU 22 3HD1 LEU 22 5.086 -4.047 4.096 140 1HD2 LEU 22 1HD2 LEU 22 3.188 -5.457 4.224 141 2HD2 LEU 22 2HD2 LEU 22 2.406 -6.080 2.771 142 3HD2 LEU 22 3HD2 LEU 22 1.974 -4.486 3.391 143 H VAL 23 H VAL 23 0.173 -4.214 0.112 144 HA VAL 23 HA VAL 23 0.457 -2.988 -2.618 145 HB VAL 23 HB VAL 23 -1.874 -3.849 -2.999 146 1HG1 VAL 23 1HG1 VAL 23 0.219 -5.101 -3.677 147 2HG1 VAL 23 2HG1 VAL 23 -1.203 -6.116 -3.445 148 3HG1 VAL 23 3HG1 VAL 23 0.046 -6.053 -2.202 149 1HG2 VAL 23 1HG2 VAL 23 -1.402 -5.445 -0.463 150 2HG2 VAL 23 2HG2 VAL 23 -2.855 -5.431 -1.461 151 3HG2 VAL 23 3HG2 VAL 23 -2.414 -4.003 -0.524 152 H CYS 24 H CYS 24 -0.854 -1.116 -3.001 153 HA CYS 24 HA CYS 24 -1.528 0.412 -0.565 154 1HB CYS 24 2HB CYS 24 -0.267 1.240 -2.635 155 2HB CYS 24 1HB CYS 24 -1.816 1.203 -3.476 156 H SER 25 H SER 25 -3.512 -0.121 0.302 157 HA SER 25 HA SER 25 -5.754 -1.172 -1.146 158 1HB SER 25 2HB SER 25 -5.348 0.172 1.528 159 2HB SER 25 1HB SER 25 -6.933 -0.407 1.022 160 HG SER 25 HG SER 25 -5.899 -2.045 2.135 161 H ARG 26 H ARG 26 -7.724 -0.122 -1.771 162 HA ARG 26 HA ARG 26 -7.404 2.709 -2.588 163 1HB ARG 26 2HB ARG 26 -9.228 0.397 -3.195 164 2HB ARG 26 1HB ARG 26 -9.751 2.030 -3.606 165 1HG ARG 26 2HG ARG 26 -7.988 2.355 -5.121 166 2HG ARG 26 1HG ARG 26 -7.010 1.072 -4.405 167 1HD ARG 26 2HD ARG 26 -8.957 -0.506 -5.173 168 2HD ARG 26 1HD ARG 26 -9.367 0.830 -6.267 169 HE ARG 26 HE ARG 26 -6.518 0.195 -6.280 170 1HH1 ARG 26 1HH2 ARG 26 -7.861 -2.396 -6.955 171 2HH1 ARG 26 2HH2 ARG 26 -8.035 -2.280 -8.675 172 1HH2 ARG 26 2HH1 ARG 26 -7.502 1.152 -8.761 173 2HH2 ARG 26 1HH1 ARG 26 -7.831 -0.265 -9.700 174 H LYS 27 H LYS 27 -9.693 0.721 -0.671 175 HA LYS 27 HA LYS 27 -11.391 2.889 0.161 176 1HB LYS 27 2HB LYS 27 -11.177 0.080 0.449 177 2HB LYS 27 1HB LYS 27 -11.209 0.734 2.086 178 1HG LYS 27 2HG LYS 27 -13.197 2.175 1.246 179 2HG LYS 27 1HG LYS 27 -13.269 1.030 -0.095 180 1HD LYS 27 2HD LYS 27 -14.490 -0.313 1.241 181 2HD LYS 27 1HD LYS 27 -13.024 -0.578 2.183 182 1HE LYS 27 2HE LYS 27 -14.085 0.405 3.934 183 2HE LYS 27 1HE LYS 27 -14.014 1.932 3.032 184 1HZ LYS 27 1HZ LYS 27 -16.040 1.289 1.863 185 2HZ LYS 27 2HZ LYS 27 -16.306 1.349 3.540 186 3HZ LYS 27 3HZ LYS 27 -16.123 -0.150 2.760 187 H HIS 28 H HIS 28 -8.466 1.447 1.558 188 HA HIS 28 HA HIS 28 -8.568 3.245 3.914 189 1HB HIS 28 2HB HIS 28 -6.584 1.132 2.999 190 2HB HIS 28 1HB HIS 28 -6.591 1.909 4.581 191 HD1 HIS 28 HD1 HIS 28 -9.317 1.756 5.610 192 HD2 HIS 28 HD2 HIS 28 -7.797 -1.326 3.246 193 HE1 HIS 28 HE1 HIS 28 -10.739 -0.285 6.091 194 H ALA 29 H ALA 29 -7.032 3.059 0.775 195 HA ALA 29 HA ALA 29 -5.539 4.498 -0.333 196 1HB ALA 29 1HB ALA 29 -5.989 6.477 1.888 197 2HB ALA 29 2HB ALA 29 -7.332 6.030 0.835 198 3HB ALA 29 3HB ALA 29 -5.882 6.764 0.152 199 H TRP 30 H TRP 30 -4.448 2.644 1.664 200 HA TRP 30 HA TRP 30 -1.863 4.010 2.129 201 1HB TRP 30 2HB TRP 30 -1.893 3.733 4.477 202 2HB TRP 30 1HB TRP 30 -3.519 4.288 4.104 203 HD1 TRP 30 HD1 TRP 30 -4.487 1.347 3.001 204 HE1 TRP 30 HE1 TRP 30 -5.053 -0.448 4.755 205 HE3 TRP 30 HE3 TRP 30 -1.973 3.231 7.018 206 HZ2 TRP 30 HZ2 TRP 30 -4.509 -1.013 7.511 207 HZ3 TRP 30 HZ3 TRP 30 -2.013 2.049 9.197 208 HH2 TRP 30 HH2 TRP 30 -3.276 -0.069 9.447 209 H CYS 31 H CYS 31 -0.249 2.294 3.082 210 HA CYS 31 HA CYS 31 -0.306 -0.032 1.329 211 1HB CYS 31 2HB CYS 31 1.636 1.464 2.404 212 2HB CYS 31 1HB CYS 31 1.569 0.218 3.648 213 H LYS 32 H LYS 32 -1.121 -2.030 1.812 214 HA LYS 32 HA LYS 32 -1.358 -2.911 4.639 215 1HB LYS 32 2HB LYS 32 -3.410 -1.634 4.093 216 2HB LYS 32 1HB LYS 32 -3.678 -2.668 2.690 217 1HG LYS 32 2HG LYS 32 -4.125 -4.568 4.030 218 2HG LYS 32 1HG LYS 32 -3.411 -3.828 5.463 219 1HD LYS 32 2HD LYS 32 -5.242 -2.350 5.753 220 2HD LYS 32 1HD LYS 32 -5.839 -2.641 4.118 221 1HE LYS 32 2HE LYS 32 -6.515 -4.899 4.691 222 2HE LYS 32 1HE LYS 32 -5.731 -4.776 6.279 223 1HZ LYS 32 1HZ LYS 32 -7.998 -3.131 5.282 224 2HZ LYS 32 2HZ LYS 32 -7.170 -2.836 6.738 225 3HZ LYS 32 3HZ LYS 32 -8.051 -4.275 6.534 226 H TYR 33 H TYR 33 -1.710 -5.240 4.788 227 HA TYR 33 HA TYR 33 -0.583 -6.741 2.526 228 1HB TYR 33 2HB TYR 33 -0.305 -6.971 5.152 229 2HB TYR 33 1HB TYR 33 -1.757 -7.963 5.012 230 HD1 TYR 33 HD1 TYR 33 -1.738 -10.058 3.728 231 HD2 TYR 33 HD2 TYR 33 1.810 -7.677 4.169 232 HE1 TYR 33 HE1 TYR 33 -0.365 -11.959 2.926 233 HE2 TYR 33 HE2 TYR 33 3.185 -9.581 3.368 234 HH TYR 33 HH TYR 33 2.465 -12.511 3.406 235 H GLU 34 H GLU 34 -1.830 -7.686 0.958 236 HA GLU 34 HA GLU 34 -4.700 -7.499 0.927 237 1HB GLU 34 2HB GLU 34 -4.479 -8.723 -1.158 238 2HB GLU 34 1HB GLU 34 -3.120 -7.608 -1.035 239 1HG GLU 34 2HG GLU 34 -1.769 -9.383 -1.376 240 2HG GLU 34 1HG GLU 34 -2.217 -9.935 0.237 241 H ILE 35 H ILE 35 -6.262 -9.232 1.062 242 HA ILE 35 HA ILE 35 -5.343 -11.562 2.719 243 HB ILE 35 HB ILE 35 -7.961 -10.026 2.594 244 1HG1 ILE 35 2HG1 ILE 35 -6.509 -10.384 5.143 245 2HG1 ILE 35 1HG1 ILE 35 -5.646 -9.418 3.946 246 1HG2 ILE 35 1HG2 ILE 35 -7.192 -12.558 4.058 247 2HG2 ILE 35 2HG2 ILE 35 -8.584 -12.288 3.009 248 3HG2 ILE 35 3HG2 ILE 35 -8.518 -11.529 4.599 249 1HD1 ILE 35 1HD1 ILE 35 -7.637 -7.978 3.678 250 2HD1 ILE 35 2HD1 ILE 35 -7.079 -7.987 5.351 251 3HD1 ILE 35 3HD1 ILE 35 -8.490 -8.938 4.887 252 1HN NH2 36 1HN NH2 36 -6.756 -14.007 0.654 253 2HN NH2 36 2HN NH2 36 -6.304 -13.600 2.324 Start of MODEL 14 1 1H GLU 1 1H GLU 1 14.586 1.293 1.883 2 2H GLU 1 2H GLU 1 14.661 -0.402 1.780 3 3H GLU 1 3H GLU 1 15.571 0.420 2.956 4 HA GLU 1 HA GLU 1 13.581 -0.637 3.919 5 1HB GLU 1 2HB GLU 1 14.720 1.847 4.291 6 2HB GLU 1 1HB GLU 1 13.012 2.253 4.121 7 1HG GLU 1 2HG GLU 1 14.003 0.071 5.972 8 2HG GLU 1 1HG GLU 1 13.774 1.740 6.495 9 H CYS 2 H CYS 2 11.394 -1.057 3.699 10 HA CYS 2 HA CYS 2 9.916 0.392 1.517 11 1HB CYS 2 2HB CYS 2 8.782 -1.767 1.152 12 2HB CYS 2 1HB CYS 2 10.530 -1.970 1.045 13 H LEU 3 H LEU 3 7.426 0.105 1.880 14 HA LEU 3 HA LEU 3 6.830 0.975 4.660 15 1HB LEU 3 2HB LEU 3 5.286 0.986 2.046 16 2HB LEU 3 1HB LEU 3 4.649 1.619 3.563 17 HG LEU 3 HG LEU 3 7.284 2.562 2.421 18 1HD1 LEU 3 1HD1 LEU 3 5.315 2.899 0.827 19 2HD1 LEU 3 2HD1 LEU 3 6.160 4.365 1.323 20 3HD1 LEU 3 3HD1 LEU 3 4.615 3.946 2.062 21 1HD2 LEU 3 1HD2 LEU 3 6.682 4.568 3.834 22 2HD2 LEU 3 2HD2 LEU 3 6.940 3.091 4.761 23 3HD2 LEU 3 3HD2 LEU 3 5.300 3.657 4.442 24 H GLY 4 H GLY 4 5.747 -0.342 6.084 25 1HA GLY 4 2HA GLY 4 5.083 -3.077 5.290 26 2HA GLY 4 1HA GLY 4 4.912 -2.396 6.908 27 H PHE 5 H PHE 5 2.808 -3.701 6.663 28 HA PHE 5 HA PHE 5 0.703 -2.758 4.923 29 1HB PHE 5 2HB PHE 5 0.546 -4.961 5.775 30 2HB PHE 5 1HB PHE 5 0.909 -4.445 7.420 31 HD1 PHE 5 HD1 PHE 5 -1.632 -3.758 4.731 32 HD2 PHE 5 HD2 PHE 5 -0.861 -4.321 8.919 33 HE1 PHE 5 HE1 PHE 5 -4.055 -3.533 5.210 34 HE2 PHE 5 HE2 PHE 5 -3.284 -4.097 9.396 35 HZ PHE 5 HZ PHE 5 -4.880 -3.703 7.540 36 H GLY 6 H GLY 6 -0.806 -1.147 5.258 37 1HA GLY 6 2HA GLY 6 -1.967 0.603 6.294 38 2HA GLY 6 1HA GLY 6 -1.442 -0.040 7.850 39 H LYS 7 H LYS 7 0.130 1.466 5.008 40 HA LYS 7 HA LYS 7 1.482 3.382 6.871 41 1HB LYS 7 2HB LYS 7 2.585 1.387 4.948 42 2HB LYS 7 1HB LYS 7 3.382 2.960 4.984 43 1HG LYS 7 2HG LYS 7 2.841 1.269 7.443 44 2HG LYS 7 1HG LYS 7 4.382 1.309 6.586 45 1HD LYS 7 2HD LYS 7 3.656 4.010 7.019 46 2HD LYS 7 1HD LYS 7 3.354 3.170 8.540 47 1HE LYS 7 2HE LYS 7 5.662 2.208 8.432 48 2HE LYS 7 1HE LYS 7 5.960 3.173 6.973 49 1HZ LYS 7 1HZ LYS 7 5.102 4.252 9.609 50 2HZ LYS 7 2HZ LYS 7 5.388 5.168 8.207 51 3HZ LYS 7 3HZ LYS 7 6.670 4.357 8.972 52 H GLY 8 H GLY 8 0.894 5.413 6.230 53 1HA GLY 8 2HA GLY 8 -0.540 6.109 3.936 54 2HA GLY 8 1HA GLY 8 0.467 7.248 4.827 55 H CYS 9 H CYS 9 -0.032 6.164 1.827 56 HA CYS 9 HA CYS 9 2.731 6.821 0.947 57 1HB CYS 9 2HB CYS 9 2.784 4.751 -0.423 58 2HB CYS 9 1HB CYS 9 2.618 4.369 1.290 59 H ASN 10 H ASN 10 2.296 6.122 -1.783 60 HA ASN 10 HA ASN 10 -0.033 7.867 -2.525 61 1HB ASN 10 2HB ASN 10 2.853 7.800 -3.378 62 2HB ASN 10 1HB ASN 10 1.633 8.411 -4.495 63 1HD2 ASN 10 1HD2 ASN 10 3.670 9.337 -1.934 64 2HD2 ASN 10 2HD2 ASN 10 2.892 10.787 -1.517 65 HA PRO 11 HA PRO 11 -1.211 4.448 -5.069 66 1HB PRO 11 2HB PRO 11 -2.812 5.776 -6.857 67 2HB PRO 11 1HB PRO 11 -3.311 5.408 -5.194 68 1HG PRO 11 2HG PRO 11 -2.283 7.958 -6.340 69 2HG PRO 11 1HG PRO 11 -3.564 7.692 -5.147 70 1HD PRO 11 2HD PRO 11 -1.053 8.500 -4.482 71 2HD PRO 11 1HD PRO 11 -2.089 7.545 -3.399 72 H SER 12 H SER 12 -0.255 7.454 -6.785 73 HA SER 12 HA SER 12 0.589 6.098 -9.210 74 1HB SER 12 2HB SER 12 0.979 8.831 -7.980 75 2HB SER 12 1HB SER 12 1.737 8.403 -9.511 76 HG SER 12 HG SER 12 -0.940 8.814 -8.872 77 H ASN 13 H ASN 13 2.240 7.298 -6.301 78 HA ASN 13 HA ASN 13 4.786 6.019 -7.217 79 1HB ASN 13 2HB ASN 13 4.415 8.524 -6.442 80 2HB ASN 13 1HB ASN 13 4.486 7.823 -4.825 81 1HD2 ASN 13 1HD2 ASN 13 6.520 6.653 -4.231 82 2HD2 ASN 13 2HD2 ASN 13 7.965 7.014 -5.045 83 H ASP 14 H ASP 14 3.348 3.988 -6.570 84 HA ASP 14 HA ASP 14 2.874 3.415 -3.786 85 1HB ASP 14 2HB ASP 14 1.711 2.286 -5.605 86 2HB ASP 14 1HB ASP 14 3.235 1.677 -6.250 87 H GLN 15 H GLN 15 4.554 3.357 -2.338 88 HA GLN 15 HA GLN 15 7.100 1.999 -3.155 89 1HB GLN 15 2HB GLN 15 6.733 4.556 -2.354 90 2HB GLN 15 1HB GLN 15 6.942 3.791 -0.778 91 1HG GLN 15 2HG GLN 15 9.164 3.958 -1.166 92 2HG GLN 15 1HG GLN 15 8.941 2.623 -2.296 93 1HE2 GLN 15 1HE2 GLN 15 9.461 6.104 -2.058 94 2HE2 GLN 15 2HE2 GLN 15 9.669 6.370 -3.722 95 H CYS 16 H CYS 16 4.697 0.608 -2.154 96 HA CYS 16 HA CYS 16 5.137 -0.039 0.669 97 1HB CYS 16 2HB CYS 16 3.296 -0.788 -1.560 98 2HB CYS 16 1HB CYS 16 3.441 -1.926 -0.221 99 H CYS 17 H CYS 17 5.588 -2.318 1.354 100 HA CYS 17 HA CYS 17 7.944 -3.384 0.029 101 1HB CYS 17 2HB CYS 17 6.833 -3.425 2.551 102 2HB CYS 17 1HB CYS 17 6.522 -5.068 1.991 103 H LYS 18 H LYS 18 7.816 -4.595 -1.806 104 HA LYS 18 HA LYS 18 5.397 -5.825 -2.781 105 1HB LYS 18 2HB LYS 18 7.419 -4.977 -4.071 106 2HB LYS 18 1HB LYS 18 8.269 -6.429 -3.543 107 1HG LYS 18 2HG LYS 18 7.332 -6.855 -5.739 108 2HG LYS 18 1HG LYS 18 6.427 -7.801 -4.557 109 1HD LYS 18 2HD LYS 18 4.570 -6.345 -4.632 110 2HD LYS 18 1HD LYS 18 5.508 -5.045 -5.367 111 1HE LYS 18 2HE LYS 18 4.299 -5.888 -7.208 112 2HE LYS 18 1HE LYS 18 5.830 -6.775 -7.339 113 1HZ LYS 18 1HZ LYS 18 3.812 -8.217 -7.398 114 2HZ LYS 18 2HZ LYS 18 3.482 -7.752 -5.798 115 3HZ LYS 18 3HZ LYS 18 4.903 -8.612 -6.161 116 H SER 19 H SER 19 8.161 -7.045 -0.912 117 HA SER 19 HA SER 19 7.692 -9.848 -1.168 118 1HB SER 19 2HB SER 19 9.660 -8.538 -0.158 119 2HB SER 19 1HB SER 19 8.684 -8.401 1.301 120 HG SER 19 HG SER 19 9.733 -10.254 1.627 121 H SER 20 H SER 20 6.259 -7.408 0.987 122 HA SER 20 HA SER 20 4.744 -9.368 2.562 123 1HB SER 20 2HB SER 20 4.778 -6.348 2.319 124 2HB SER 20 1HB SER 20 3.749 -7.207 3.462 125 HG SER 20 HG SER 20 6.256 -6.518 3.778 126 H ASN 21 H ASN 21 4.342 -8.142 -0.561 127 HA ASN 21 HA ASN 21 2.536 -8.101 -2.059 128 1HB ASN 21 2HB ASN 21 2.466 -10.413 -0.709 129 2HB ASN 21 1HB ASN 21 0.937 -9.745 -0.134 130 1HD2 ASN 21 1HD2 ASN 21 -0.555 -8.896 -1.982 131 2HD2 ASN 21 2HD2 ASN 21 -0.567 -9.790 -3.425 132 H LEU 22 H LEU 22 2.504 -5.760 -0.981 133 HA LEU 22 HA LEU 22 -0.260 -5.303 0.104 134 1HB LEU 22 2HB LEU 22 2.416 -4.044 0.764 135 2HB LEU 22 1HB LEU 22 0.883 -3.330 1.263 136 HG LEU 22 HG LEU 22 1.568 -6.206 1.887 137 1HD1 LEU 22 1HD1 LEU 22 2.121 -3.745 3.573 138 2HD1 LEU 22 2HD1 LEU 22 3.338 -4.794 2.847 139 3HD1 LEU 22 3HD1 LEU 22 2.287 -5.413 4.121 140 1HD2 LEU 22 1HD2 LEU 22 -0.762 -5.691 2.151 141 2HD2 LEU 22 2HD2 LEU 22 -0.400 -4.158 2.944 142 3HD2 LEU 22 3HD2 LEU 22 -0.068 -5.680 3.772 143 H VAL 23 H VAL 23 -1.271 -3.310 -0.613 144 HA VAL 23 HA VAL 23 0.048 -1.960 -2.946 145 HB VAL 23 HB VAL 23 -2.254 -2.005 -4.009 146 1HG1 VAL 23 1HG1 VAL 23 -1.159 -4.756 -3.366 147 2HG1 VAL 23 2HG1 VAL 23 -0.417 -3.657 -4.528 148 3HG1 VAL 23 3HG1 VAL 23 -2.045 -4.272 -4.811 149 1HG2 VAL 23 1HG2 VAL 23 -3.453 -2.420 -1.815 150 2HG2 VAL 23 2HG2 VAL 23 -2.846 -4.075 -1.872 151 3HG2 VAL 23 3HG2 VAL 23 -3.940 -3.493 -3.127 152 H CYS 24 H CYS 24 -0.382 0.277 -3.093 153 HA CYS 24 HA CYS 24 -1.280 1.624 -0.677 154 1HB CYS 24 2HB CYS 24 -0.369 2.392 -3.441 155 2HB CYS 24 1HB CYS 24 -1.060 3.621 -2.383 156 H SER 25 H SER 25 -3.402 1.915 -0.159 157 HA SER 25 HA SER 25 -5.577 1.444 -2.016 158 1HB SER 25 2HB SER 25 -5.482 1.125 0.521 159 2HB SER 25 1HB SER 25 -5.656 2.873 0.656 160 HG SER 25 HG SER 25 -7.678 2.719 0.036 161 H ARG 26 H ARG 26 -7.255 3.088 -2.530 162 HA ARG 26 HA ARG 26 -6.023 5.698 -3.259 163 1HB ARG 26 2HB ARG 26 -7.226 4.187 -4.890 164 2HB ARG 26 1HB ARG 26 -8.712 4.491 -3.989 165 1HG ARG 26 2HG ARG 26 -7.216 6.927 -4.725 166 2HG ARG 26 1HG ARG 26 -7.841 6.015 -6.098 167 1HD ARG 26 2HD ARG 26 -9.742 6.355 -3.839 168 2HD ARG 26 1HD ARG 26 -9.340 7.831 -4.739 169 HE ARG 26 HE ARG 26 -10.029 6.654 -6.814 170 1HH1 ARG 26 1HH2 ARG 26 -9.910 3.831 -6.062 171 2HH1 ARG 26 2HH2 ARG 26 -11.557 3.438 -5.696 172 1HH2 ARG 26 2HH1 ARG 26 -12.553 6.749 -5.360 173 2HH2 ARG 26 1HH1 ARG 26 -13.056 5.093 -5.298 174 H LYS 27 H LYS 27 -8.796 4.364 -1.445 175 HA LYS 27 HA LYS 27 -9.982 6.892 -0.740 176 1HB LYS 27 2HB LYS 27 -11.036 4.601 -0.717 177 2HB LYS 27 1HB LYS 27 -10.086 4.239 0.723 178 1HG LYS 27 2HG LYS 27 -11.630 5.256 2.003 179 2HG LYS 27 1HG LYS 27 -11.361 6.764 1.129 180 1HD LYS 27 2HD LYS 27 -12.933 5.927 -0.652 181 2HD LYS 27 1HD LYS 27 -13.301 4.556 0.395 182 1HE LYS 27 2HE LYS 27 -14.292 5.945 2.055 183 2HE LYS 27 1HE LYS 27 -13.585 7.415 1.356 184 1HZ LYS 27 1HZ LYS 27 -14.868 7.025 -0.664 185 2HZ LYS 27 2HZ LYS 27 -15.897 7.172 0.680 186 3HZ LYS 27 3HZ LYS 27 -15.567 5.640 0.024 187 H HIS 28 H HIS 28 -7.810 4.702 1.069 188 HA HIS 28 HA HIS 28 -7.448 6.774 3.170 189 1HB HIS 28 2HB HIS 28 -6.937 3.836 2.837 190 2HB HIS 28 1HB HIS 28 -6.032 4.719 4.067 191 HD1 HIS 28 HD1 HIS 28 -7.832 6.458 5.481 192 HD2 HIS 28 HD2 HIS 28 -9.263 2.860 3.933 193 HE1 HIS 28 HE1 HIS 28 -9.958 5.928 6.751 194 H ALA 29 H ALA 29 -5.878 5.732 0.296 195 HA ALA 29 HA ALA 29 -3.762 6.211 -0.626 196 1HB ALA 29 1HB ALA 29 -3.697 8.387 1.476 197 2HB ALA 29 2HB ALA 29 -4.777 8.466 0.084 198 3HB ALA 29 3HB ALA 29 -3.031 8.434 -0.156 199 H TRP 30 H TRP 30 -3.640 4.136 1.241 200 HA TRP 30 HA TRP 30 -0.882 4.470 2.271 201 1HB TRP 30 2HB TRP 30 -1.448 4.030 4.538 202 2HB TRP 30 1HB TRP 30 -2.640 5.206 4.004 203 HD1 TRP 30 HD1 TRP 30 -4.423 2.999 2.377 204 HE1 TRP 30 HE1 TRP 30 -5.945 1.440 3.745 205 HE3 TRP 30 HE3 TRP 30 -2.179 3.384 6.938 206 HZ2 TRP 30 HZ2 TRP 30 -6.182 0.485 6.431 207 HZ3 TRP 30 HZ3 TRP 30 -3.074 2.141 8.887 208 HH2 TRP 30 HH2 TRP 30 -5.071 0.692 8.638 209 H CYS 31 H CYS 31 -0.046 2.296 3.113 210 HA CYS 31 HA CYS 31 -0.406 0.236 1.177 211 1HB CYS 31 2HB CYS 31 1.327 0.842 3.225 212 2HB CYS 31 1HB CYS 31 0.497 -0.574 3.869 213 H LYS 32 H LYS 32 -1.897 -1.407 1.035 214 HA LYS 32 HA LYS 32 -3.587 -2.037 3.423 215 1HB LYS 32 2HB LYS 32 -4.629 -0.388 1.818 216 2HB LYS 32 1HB LYS 32 -4.556 -1.636 0.574 217 1HG LYS 32 2HG LYS 32 -6.624 -2.199 1.332 218 2HG LYS 32 1HG LYS 32 -5.740 -3.000 2.631 219 1HD LYS 32 2HD LYS 32 -5.821 -0.791 3.891 220 2HD LYS 32 1HD LYS 32 -6.960 -0.230 2.666 221 1HE LYS 32 2HE LYS 32 -8.493 -1.104 4.162 222 2HE LYS 32 1HE LYS 32 -8.113 -2.608 3.301 223 1HZ LYS 32 1HZ LYS 32 -6.731 -1.597 5.735 224 2HZ LYS 32 2HZ LYS 32 -6.320 -3.013 4.889 225 3HZ LYS 32 3HZ LYS 32 -7.817 -2.898 5.683 226 H TYR 33 H TYR 33 -4.357 -4.222 3.452 227 HA TYR 33 HA TYR 33 -2.723 -6.134 1.937 228 1HB TYR 33 2HB TYR 33 -3.536 -6.173 4.415 229 2HB TYR 33 1HB TYR 33 -5.055 -6.770 3.746 230 HD1 TYR 33 HD1 TYR 33 -5.300 -9.044 3.168 231 HD2 TYR 33 HD2 TYR 33 -1.369 -7.419 3.770 232 HE1 TYR 33 HE1 TYR 33 -4.331 -11.321 2.996 233 HE2 TYR 33 HE2 TYR 33 -0.401 -9.695 3.597 234 HH TYR 33 HH TYR 33 -1.804 -12.328 4.061 235 H GLU 34 H GLU 34 -3.755 -7.928 0.704 236 HA GLU 34 HA GLU 34 -6.391 -7.172 -0.512 237 1HB GLU 34 2HB GLU 34 -5.289 -8.069 -2.679 238 2HB GLU 34 1HB GLU 34 -4.773 -6.486 -2.106 239 1HG GLU 34 2HG GLU 34 -2.799 -7.752 -2.724 240 2HG GLU 34 1HG GLU 34 -2.824 -7.602 -0.969 241 H ILE 35 H ILE 35 -6.969 -9.227 -2.071 242 HA ILE 35 HA ILE 35 -6.600 -11.697 -0.407 243 HB ILE 35 HB ILE 35 -8.822 -10.509 -0.207 244 1HG1 ILE 35 2HG1 ILE 35 -9.360 -13.115 -1.576 245 2HG1 ILE 35 1HG1 ILE 35 -8.317 -13.128 -0.153 246 1HG2 ILE 35 1HG2 ILE 35 -10.354 -10.513 -2.066 247 2HG2 ILE 35 2HG2 ILE 35 -9.234 -11.445 -3.060 248 3HG2 ILE 35 3HG2 ILE 35 -8.854 -9.777 -2.630 249 1HD1 ILE 35 1HD1 ILE 35 -10.613 -13.470 0.566 250 2HD1 ILE 35 2HD1 ILE 35 -11.139 -12.036 -0.316 251 3HD1 ILE 35 3HD1 ILE 35 -10.090 -11.869 1.092 252 1HN NH2 36 1HN NH2 36 -6.618 -13.754 -3.486 253 2HN NH2 36 2HN NH2 36 -7.689 -13.678 -2.069 Start of MODEL 15 1 1H GLU 1 1H GLU 1 -13.501 0.844 4.319 2 2H GLU 1 2H GLU 1 -14.645 1.998 4.815 3 3H GLU 1 3H GLU 1 -13.443 1.470 5.895 4 HA GLU 1 HA GLU 1 -12.979 3.044 3.408 5 1HB GLU 1 2HB GLU 1 -13.797 3.695 6.077 6 2HB GLU 1 1HB GLU 1 -12.150 4.283 5.852 7 1HG GLU 1 2HG GLU 1 -13.322 6.081 4.992 8 2HG GLU 1 1HG GLU 1 -13.137 5.119 3.526 9 H CYS 2 H CYS 2 -11.068 2.260 2.587 10 HA CYS 2 HA CYS 2 -8.729 2.043 4.421 11 1HB CYS 2 2HB CYS 2 -8.215 -0.187 3.587 12 2HB CYS 2 1HB CYS 2 -9.875 -0.188 4.179 13 H LEU 3 H LEU 3 -6.662 1.793 3.068 14 HA LEU 3 HA LEU 3 -6.790 3.659 0.775 15 1HB LEU 3 2HB LEU 3 -4.506 2.271 2.219 16 2HB LEU 3 1HB LEU 3 -4.306 3.519 0.994 17 HG LEU 3 HG LEU 3 -6.046 4.059 3.385 18 1HD1 LEU 3 1HD1 LEU 3 -4.233 4.634 4.758 19 2HD1 LEU 3 2HD1 LEU 3 -3.105 4.701 3.404 20 3HD1 LEU 3 3HD1 LEU 3 -3.675 3.142 3.999 21 1HD2 LEU 3 1HD2 LEU 3 -4.262 5.760 1.610 22 2HD2 LEU 3 2HD2 LEU 3 -5.243 6.372 2.941 23 3HD2 LEU 3 3HD2 LEU 3 -6.021 5.665 1.525 24 H GLY 4 H GLY 4 -7.353 2.703 -1.156 25 1HA GLY 4 2HA GLY 4 -6.795 -0.089 -1.750 26 2HA GLY 4 1HA GLY 4 -7.479 1.089 -2.869 27 H PHE 5 H PHE 5 -5.866 -0.222 -4.286 28 HA PHE 5 HA PHE 5 -3.037 0.100 -4.041 29 1HB PHE 5 2HB PHE 5 -4.289 -1.508 -5.498 30 2HB PHE 5 1HB PHE 5 -4.746 -0.158 -6.537 31 HD1 PHE 5 HD1 PHE 5 -1.791 -1.958 -5.127 32 HD2 PHE 5 HD2 PHE 5 -3.279 0.637 -8.212 33 HE1 PHE 5 HE1 PHE 5 0.370 -2.142 -6.327 34 HE2 PHE 5 HE2 PHE 5 -1.116 0.451 -9.410 35 HZ PHE 5 HZ PHE 5 0.708 -0.938 -8.467 36 H GLY 6 H GLY 6 -1.773 1.894 -4.349 37 1HA GLY 6 2HA GLY 6 -1.076 3.820 -5.659 38 2HA GLY 6 1HA GLY 6 -2.754 4.062 -6.139 39 H LYS 7 H LYS 7 -3.681 3.661 -3.285 40 HA LYS 7 HA LYS 7 -3.690 6.406 -2.454 41 1HB LYS 7 2HB LYS 7 -4.417 3.742 -1.258 42 2HB LYS 7 1HB LYS 7 -4.475 5.188 -0.253 43 1HG LYS 7 2HG LYS 7 -5.719 5.570 -2.883 44 2HG LYS 7 1HG LYS 7 -6.507 4.322 -1.919 45 1HD LYS 7 2HD LYS 7 -7.359 5.832 -0.468 46 2HD LYS 7 1HD LYS 7 -5.822 6.689 -0.340 47 1HE LYS 7 2HE LYS 7 -6.649 8.336 -1.654 48 2HE LYS 7 1HE LYS 7 -6.874 7.163 -2.967 49 1HZ LYS 7 1HZ LYS 7 -8.991 8.144 -2.283 50 2HZ LYS 7 2HZ LYS 7 -8.751 7.586 -0.697 51 3HZ LYS 7 3HZ LYS 7 -8.960 6.478 -1.969 52 H GLY 8 H GLY 8 -2.246 7.542 -1.203 53 1HA GLY 8 2HA GLY 8 0.342 6.474 -0.583 54 2HA GLY 8 1HA GLY 8 -0.281 8.020 -0.016 55 H CYS 9 H CYS 9 1.199 5.716 1.345 56 HA CYS 9 HA CYS 9 -0.503 5.676 3.788 57 1HB CYS 9 2HB CYS 9 0.045 3.164 3.927 58 2HB CYS 9 1HB CYS 9 -1.147 3.639 2.720 59 H ASN 10 H ASN 10 1.003 4.158 5.444 60 HA ASN 10 HA ASN 10 3.660 5.540 5.443 61 1HB ASN 10 2HB ASN 10 1.906 4.315 7.592 62 2HB ASN 10 1HB ASN 10 3.530 4.923 7.907 63 1HD2 ASN 10 1HD2 ASN 10 0.207 5.874 7.256 64 2HD2 ASN 10 2HD2 ASN 10 0.452 7.544 7.431 65 HA PRO 11 HA PRO 11 5.568 1.624 4.665 66 1HB PRO 11 2HB PRO 11 8.071 2.178 5.643 67 2HB PRO 11 1HB PRO 11 7.476 2.793 4.087 68 1HG PRO 11 2HG PRO 11 7.627 4.167 6.729 69 2HG PRO 11 1HG PRO 11 7.990 4.790 5.112 70 1HD PRO 11 2HD PRO 11 5.672 5.337 6.397 71 2HD PRO 11 1HD PRO 11 5.780 5.206 4.627 72 H SER 12 H SER 12 6.038 3.115 7.886 73 HA SER 12 HA SER 12 6.521 0.512 9.172 74 1HB SER 12 2HB SER 12 6.224 3.379 10.090 75 2HB SER 12 1HB SER 12 6.448 2.052 11.226 76 HG SER 12 HG SER 12 8.207 3.158 9.365 77 H ASN 13 H ASN 13 3.913 2.927 9.010 78 HA ASN 13 HA ASN 13 2.080 0.971 10.363 79 1HB ASN 13 2HB ASN 13 2.689 3.295 11.357 80 2HB ASN 13 1HB ASN 13 1.666 3.953 10.080 81 1HD2 ASN 13 1HD2 ASN 13 -0.646 3.590 10.228 82 2HD2 ASN 13 2HD2 ASN 13 -1.365 2.931 11.617 83 H ASP 14 H ASP 14 2.189 0.201 7.888 84 HA ASP 14 HA ASP 14 0.775 1.732 5.894 85 1HB ASP 14 2HB ASP 14 2.289 -0.022 5.251 86 2HB ASP 14 1HB ASP 14 1.446 -1.203 6.253 87 H GLN 15 H GLN 15 -1.361 2.253 6.053 88 HA GLN 15 HA GLN 15 -3.219 0.355 7.434 89 1HB GLN 15 2HB GLN 15 -2.907 3.286 7.171 90 2HB GLN 15 1HB GLN 15 -4.574 2.717 7.071 91 1HG GLN 15 2HG GLN 15 -2.707 1.792 9.260 92 2HG GLN 15 1HG GLN 15 -3.679 3.256 9.421 93 1HE2 GLN 15 1HE2 GLN 15 -6.110 2.954 9.168 94 2HE2 GLN 15 2HE2 GLN 15 -6.791 1.467 9.623 95 H CYS 16 H CYS 16 -2.371 -0.213 4.745 96 HA CYS 16 HA CYS 16 -4.370 0.734 2.838 97 1HB CYS 16 2HB CYS 16 -1.974 -0.985 2.935 98 2HB CYS 16 1HB CYS 16 -3.183 -1.507 1.764 99 H CYS 17 H CYS 17 -5.657 -1.026 1.591 100 HA CYS 17 HA CYS 17 -7.443 -2.370 3.430 101 1HB CYS 17 2HB CYS 17 -7.383 -1.554 0.742 102 2HB CYS 17 1HB CYS 17 -7.523 -3.310 0.672 103 H LYS 18 H LYS 18 -6.680 -4.115 4.572 104 HA LYS 18 HA LYS 18 -4.586 -5.892 3.688 105 1HB LYS 18 2HB LYS 18 -6.611 -5.746 5.894 106 2HB LYS 18 1HB LYS 18 -5.746 -7.265 5.653 107 1HG LYS 18 2HG LYS 18 -3.611 -5.770 5.594 108 2HG LYS 18 1HG LYS 18 -4.635 -4.559 6.367 109 1HD LYS 18 2HD LYS 18 -4.801 -5.747 8.326 110 2HD LYS 18 1HD LYS 18 -4.722 -7.307 7.509 111 1HE LYS 18 2HE LYS 18 -2.261 -5.620 7.382 112 2HE LYS 18 1HE LYS 18 -2.649 -6.362 8.946 113 1HZ LYS 18 1HZ LYS 18 -1.360 -7.871 7.535 114 2HZ LYS 18 2HZ LYS 18 -2.566 -7.796 6.340 115 3HZ LYS 18 3HZ LYS 18 -2.905 -8.493 7.853 116 H SER 19 H SER 19 -8.073 -5.894 3.230 117 HA SER 19 HA SER 19 -8.520 -8.654 2.669 118 1HB SER 19 2HB SER 19 -10.146 -6.686 2.990 119 2HB SER 19 1HB SER 19 -9.844 -6.303 1.298 120 HG SER 19 HG SER 19 -11.317 -8.323 2.426 121 H SER 20 H SER 20 -7.247 -6.029 0.630 122 HA SER 20 HA SER 20 -7.190 -7.786 -1.762 123 1HB SER 20 2HB SER 20 -6.536 -4.890 -1.176 124 2HB SER 20 1HB SER 20 -6.257 -5.621 -2.755 125 HG SER 20 HG SER 20 -8.344 -5.649 -3.107 126 H ASN 21 H ASN 21 -5.236 -7.529 0.898 127 HA ASN 21 HA ASN 21 -2.990 -8.065 1.330 128 1HB ASN 21 2HB ASN 21 -3.972 -9.591 -0.879 129 2HB ASN 21 1HB ASN 21 -2.294 -9.177 -1.224 130 1HD2 ASN 21 1HD2 ASN 21 -0.730 -9.597 0.712 131 2HD2 ASN 21 2HD2 ASN 21 -1.031 -10.982 1.647 132 H LEU 22 H LEU 22 -3.007 -5.488 0.950 133 HA LEU 22 HA LEU 22 -0.994 -4.871 -1.195 134 1HB LEU 22 2HB LEU 22 -3.209 -3.235 0.080 135 2HB LEU 22 1HB LEU 22 -2.004 -2.554 -1.013 136 HG LEU 22 HG LEU 22 -3.800 -4.885 -1.739 137 1HD1 LEU 22 1HD1 LEU 22 -4.167 -2.211 -2.985 138 2HD1 LEU 22 2HD1 LEU 22 -4.726 -2.377 -1.321 139 3HD1 LEU 22 3HD1 LEU 22 -5.367 -3.437 -2.576 140 1HD2 LEU 22 1HD2 LEU 22 -1.822 -3.151 -3.233 141 2HD2 LEU 22 2HD2 LEU 22 -3.069 -4.070 -4.076 142 3HD2 LEU 22 3HD2 LEU 22 -1.855 -4.910 -3.111 143 H VAL 23 H VAL 23 0.798 -3.578 -0.584 144 HA VAL 23 HA VAL 23 1.082 -3.002 2.351 145 HB VAL 23 HB VAL 23 3.479 -3.694 2.047 146 1HG1 VAL 23 1HG1 VAL 23 3.042 -6.062 2.092 147 2HG1 VAL 23 2HG1 VAL 23 1.543 -5.858 1.186 148 3HG1 VAL 23 3HG1 VAL 23 1.661 -5.260 2.841 149 1HG2 VAL 23 1HG2 VAL 23 2.558 -4.797 -0.622 150 2HG2 VAL 23 2HG2 VAL 23 4.196 -4.783 0.031 151 3HG2 VAL 23 3HG2 VAL 23 3.434 -3.274 -0.469 152 H CYS 24 H CYS 24 2.769 -1.290 2.776 153 HA CYS 24 HA CYS 24 2.509 0.894 0.799 154 1HB CYS 24 2HB CYS 24 2.342 0.830 3.471 155 2HB CYS 24 1HB CYS 24 4.073 1.129 3.335 156 H SER 25 H SER 25 4.208 1.703 -0.414 157 HA SER 25 HA SER 25 6.753 0.149 -0.383 158 1HB SER 25 2HB SER 25 7.007 1.132 -2.628 159 2HB SER 25 1HB SER 25 5.415 0.398 -2.462 160 HG SER 25 HG SER 25 5.610 2.640 -3.359 161 H ARG 26 H ARG 26 8.727 1.625 -1.014 162 HA ARG 26 HA ARG 26 8.775 3.926 0.897 163 1HB ARG 26 2HB ARG 26 10.758 1.966 -0.229 164 2HB ARG 26 1HB ARG 26 11.333 3.500 0.421 165 1HG ARG 26 2HG ARG 26 11.124 2.718 2.520 166 2HG ARG 26 1HG ARG 26 9.411 2.399 2.247 167 1HD ARG 26 2HD ARG 26 10.331 0.265 2.788 168 2HD ARG 26 1HD ARG 26 10.225 0.249 1.017 169 HE ARG 26 HE ARG 26 12.626 0.798 0.932 170 1HH1 ARG 26 1HH2 ARG 26 12.732 -1.729 2.406 171 2HH1 ARG 26 2HH2 ARG 26 13.624 -1.326 3.835 172 1HH2 ARG 26 2HH1 ARG 26 13.161 2.100 3.477 173 2HH2 ARG 26 1HH1 ARG 26 13.867 0.847 4.444 174 H LYS 27 H LYS 27 9.502 3.030 -2.474 175 HA LYS 27 HA LYS 27 10.678 5.534 -3.271 176 1HB LYS 27 2HB LYS 27 9.563 3.076 -4.514 177 2HB LYS 27 1HB LYS 27 9.623 4.501 -5.551 178 1HG LYS 27 2HG LYS 27 11.767 3.839 -5.937 179 2HG LYS 27 1HG LYS 27 12.088 4.618 -4.387 180 1HD LYS 27 2HD LYS 27 12.959 2.565 -3.866 181 2HD LYS 27 1HD LYS 27 11.272 2.191 -3.510 182 1HE LYS 27 2HE LYS 27 11.016 0.895 -5.408 183 2HE LYS 27 1HE LYS 27 12.177 1.856 -6.344 184 1HZ LYS 27 1HZ LYS 27 12.875 0.070 -4.069 185 2HZ LYS 27 2HZ LYS 27 13.970 0.971 -5.006 186 3HZ LYS 27 3HZ LYS 27 13.100 -0.309 -5.706 187 H HIS 28 H HIS 28 7.351 4.268 -3.589 188 HA HIS 28 HA HIS 28 6.412 6.994 -4.369 189 1HB HIS 28 2HB HIS 28 5.272 4.195 -4.536 190 2HB HIS 28 1HB HIS 28 4.320 5.627 -4.924 191 HD1 HIS 28 HD1 HIS 28 6.129 7.345 -6.531 192 HD2 HIS 28 HD2 HIS 28 6.172 3.196 -6.944 193 HE1 HIS 28 HE1 HIS 28 7.121 6.863 -8.809 194 H ALA 29 H ALA 29 6.522 4.904 -1.630 195 HA ALA 29 HA ALA 29 5.487 4.992 0.484 196 1HB ALA 29 1HB ALA 29 5.372 7.186 1.325 197 2HB ALA 29 2HB ALA 29 4.803 7.843 -0.208 198 3HB ALA 29 3HB ALA 29 6.488 7.354 -0.030 199 H TRP 30 H TRP 30 3.804 3.987 -1.570 200 HA TRP 30 HA TRP 30 1.146 4.829 -0.525 201 1HB TRP 30 2HB TRP 30 0.269 5.089 -2.760 202 2HB TRP 30 1HB TRP 30 1.712 6.079 -2.616 203 HD1 TRP 30 HD1 TRP 30 3.202 2.862 -2.929 204 HE1 TRP 30 HE1 TRP 30 3.733 2.253 -5.373 205 HE3 TRP 30 HE3 TRP 30 0.310 6.297 -5.323 206 HZ2 TRP 30 HZ2 TRP 30 3.017 3.111 -8.009 207 HZ3 TRP 30 HZ3 TRP 30 0.245 6.387 -7.803 208 HH2 TRP 30 HH2 TRP 30 1.595 4.798 -9.147 209 H CYS 31 H CYS 31 -0.539 3.212 -1.809 210 HA CYS 31 HA CYS 31 0.079 0.574 -0.789 211 1HB CYS 31 2HB CYS 31 -2.159 2.041 -1.441 212 2HB CYS 31 1HB CYS 31 -2.106 0.856 -2.745 213 H LYS 32 H LYS 32 1.181 -1.018 -1.821 214 HA LYS 32 HA LYS 32 1.347 -0.965 -4.818 215 1HB LYS 32 2HB LYS 32 3.376 -0.854 -2.713 216 2HB LYS 32 1HB LYS 32 3.661 -2.186 -3.833 217 1HG LYS 32 2HG LYS 32 2.906 0.412 -5.060 218 2HG LYS 32 1HG LYS 32 4.502 0.339 -4.313 219 1HD LYS 32 2HD LYS 32 5.130 -0.524 -6.330 220 2HD LYS 32 1HD LYS 32 4.483 -2.024 -5.668 221 1HE LYS 32 2HE LYS 32 3.346 -1.884 -7.723 222 2HE LYS 32 1HE LYS 32 2.189 -1.101 -6.630 223 1HZ LYS 32 1HZ LYS 32 2.642 0.284 -8.575 224 2HZ LYS 32 2HZ LYS 32 4.298 0.298 -8.196 225 3HZ LYS 32 3HZ LYS 32 3.178 1.038 -7.154 226 H TYR 33 H TYR 33 2.034 -3.211 -5.652 227 HA TYR 33 HA TYR 33 0.481 -5.296 -4.179 228 1HB TYR 33 2HB TYR 33 0.724 -4.429 -6.888 229 2HB TYR 33 1HB TYR 33 1.346 -6.078 -6.805 230 HD1 TYR 33 HD1 TYR 33 -1.604 -3.982 -6.699 231 HD2 TYR 33 HD2 TYR 33 -0.081 -7.882 -5.741 232 HE1 TYR 33 HE1 TYR 33 -3.922 -4.850 -6.547 233 HE2 TYR 33 HE2 TYR 33 -2.399 -8.751 -5.590 234 HH TYR 33 HH TYR 33 -4.903 -7.220 -5.070 235 H GLU 34 H GLU 34 1.426 -7.345 -3.771 236 HA GLU 34 HA GLU 34 4.314 -7.343 -3.317 237 1HB GLU 34 2HB GLU 34 3.834 -9.524 -2.304 238 2HB GLU 34 1HB GLU 34 2.602 -8.365 -1.810 239 1HG GLU 34 2HG GLU 34 1.851 -9.680 -4.293 240 2HG GLU 34 1HG GLU 34 2.160 -10.860 -3.021 241 H ILE 35 H ILE 35 5.687 -9.199 -4.125 242 HA ILE 35 HA ILE 35 5.413 -9.476 -7.036 243 HB ILE 35 HB ILE 35 7.406 -10.500 -4.983 244 1HG1 ILE 35 2HG1 ILE 35 8.038 -8.448 -7.063 245 2HG1 ILE 35 1HG1 ILE 35 7.031 -7.941 -5.707 246 1HG2 ILE 35 1HG2 ILE 35 7.543 -11.982 -6.866 247 2HG2 ILE 35 2HG2 ILE 35 8.864 -10.828 -7.046 248 3HG2 ILE 35 3HG2 ILE 35 7.399 -10.646 -8.009 249 1HD1 ILE 35 1HD1 ILE 35 9.767 -9.237 -5.517 250 2HD1 ILE 35 2HD1 ILE 35 8.747 -8.829 -4.137 251 3HD1 ILE 35 3HD1 ILE 35 9.385 -7.551 -5.171 252 1HN NH2 36 1HN NH2 36 4.427 -12.811 -7.505 253 2HN NH2 36 2HN NH2 36 5.477 -11.528 -8.144 Start of MODEL 16 1 1H GLU 1 1H GLU 1 12.530 5.504 -2.216 2 2H GLU 1 2H GLU 1 12.921 4.331 -1.051 3 3H GLU 1 3H GLU 1 13.836 5.759 -1.164 4 HA GLU 1 HA GLU 1 12.332 5.884 0.732 5 1HB GLU 1 2HB GLU 1 12.008 7.600 -1.724 6 2HB GLU 1 1HB GLU 1 11.091 7.977 -0.264 7 1HG GLU 1 2HG GLU 1 12.904 8.933 0.660 8 2HG GLU 1 1HG GLU 1 13.813 7.432 0.474 9 H CYS 2 H CYS 2 10.847 4.161 1.091 10 HA CYS 2 HA CYS 2 8.126 4.605 0.003 11 1HB CYS 2 2HB CYS 2 7.996 2.270 -0.799 12 2HB CYS 2 1HB CYS 2 9.279 3.148 -1.625 13 H LEU 3 H LEU 3 6.521 3.161 1.141 14 HA LEU 3 HA LEU 3 7.307 2.819 3.993 15 1HB LEU 3 2HB LEU 3 4.664 2.899 2.503 16 2HB LEU 3 1HB LEU 3 4.798 2.679 4.247 17 HG LEU 3 HG LEU 3 6.076 5.025 2.831 18 1HD1 LEU 3 1HD1 LEU 3 3.848 5.461 2.313 19 2HD1 LEU 3 2HD1 LEU 3 3.971 6.207 3.907 20 3HD1 LEU 3 3HD1 LEU 3 3.244 4.609 3.735 21 1HD2 LEU 3 1HD2 LEU 3 5.251 4.455 5.697 22 2HD2 LEU 3 2HD2 LEU 3 5.887 6.001 5.133 23 3HD2 LEU 3 3HD2 LEU 3 6.900 4.558 5.080 24 H GLY 4 H GLY 4 6.798 0.834 5.125 25 1HA GLY 4 2HA GLY 4 7.118 -1.568 3.473 26 2HA GLY 4 1HA GLY 4 7.076 -1.519 5.235 27 H PHE 5 H PHE 5 5.657 -3.488 4.769 28 HA PHE 5 HA PHE 5 2.977 -3.069 3.701 29 1HB PHE 5 2HB PHE 5 3.980 -5.237 3.532 30 2HB PHE 5 1HB PHE 5 4.396 -5.255 5.245 31 HD1 PHE 5 HD1 PHE 5 2.890 -6.116 6.854 32 HD2 PHE 5 HD2 PHE 5 1.495 -5.237 2.887 33 HE1 PHE 5 HE1 PHE 5 0.722 -7.199 7.375 34 HE2 PHE 5 HE2 PHE 5 -0.671 -6.320 3.410 35 HZ PHE 5 HZ PHE 5 -1.060 -7.301 5.653 36 H GLY 6 H GLY 6 1.051 -2.809 4.874 37 1HA GLY 6 2HA GLY 6 -0.350 -2.400 6.713 38 2HA GLY 6 1HA GLY 6 0.948 -2.941 7.775 39 H LYS 7 H LYS 7 1.138 -0.323 5.385 40 HA LYS 7 HA LYS 7 1.666 1.591 7.634 41 1HB LYS 7 2HB LYS 7 2.806 1.129 4.897 42 2HB LYS 7 1HB LYS 7 2.812 2.774 5.534 43 1HG LYS 7 2HG LYS 7 3.755 0.583 7.336 44 2HG LYS 7 1HG LYS 7 4.823 1.087 6.026 45 1HD LYS 7 2HD LYS 7 5.432 2.896 7.214 46 2HD LYS 7 1HD LYS 7 3.755 3.445 7.238 47 1HE LYS 7 2HE LYS 7 3.303 2.159 9.259 48 2HE LYS 7 1HE LYS 7 4.922 1.435 9.200 49 1HZ LYS 7 1HZ LYS 7 4.344 4.347 9.398 50 2HZ LYS 7 2HZ LYS 7 5.889 3.641 9.349 51 3HZ LYS 7 3HZ LYS 7 4.867 3.365 10.678 52 H GLY 8 H GLY 8 -0.075 2.933 7.911 53 1HA GLY 8 2HA GLY 8 -2.240 3.226 6.113 54 2HA GLY 8 1HA GLY 8 -1.869 4.359 7.410 55 H CYS 9 H CYS 9 -2.050 4.005 4.070 56 HA CYS 9 HA CYS 9 -0.607 6.594 3.671 57 1HB CYS 9 2HB CYS 9 0.874 5.621 2.244 58 2HB CYS 9 1HB CYS 9 0.371 4.102 2.973 59 H ASN 10 H ASN 10 -1.136 7.171 1.114 60 HA ASN 10 HA ASN 10 -4.084 7.396 1.042 61 1HB ASN 10 2HB ASN 10 -1.728 8.595 -0.412 62 2HB ASN 10 1HB ASN 10 -3.364 8.829 -1.024 63 1HD2 ASN 10 1HD2 ASN 10 -2.607 11.204 -0.405 64 2HD2 ASN 10 2HD2 ASN 10 -3.000 11.710 1.167 65 HA PRO 11 HA PRO 11 -4.438 4.006 -1.816 66 1HB PRO 11 2HB PRO 11 -7.031 4.462 -2.576 67 2HB PRO 11 1HB PRO 11 -6.593 3.728 -1.019 68 1HG PRO 11 2HG PRO 11 -7.366 6.538 -1.635 69 2HG PRO 11 1HG PRO 11 -7.804 5.524 -0.250 70 1HD PRO 11 2HD PRO 11 -5.890 7.447 -0.127 71 2HD PRO 11 1HD PRO 11 -5.853 5.975 0.869 72 H SER 12 H SER 12 -5.562 7.276 -2.728 73 HA SER 12 HA SER 12 -5.485 6.847 -5.584 74 1HB SER 12 2HB SER 12 -6.734 8.632 -4.318 75 2HB SER 12 1HB SER 12 -5.188 9.406 -3.978 76 HG SER 12 HG SER 12 -6.639 9.232 -6.338 77 H ASN 13 H ASN 13 -3.175 8.243 -3.255 78 HA ASN 13 HA ASN 13 -1.053 8.122 -5.374 79 1HB ASN 13 2HB ASN 13 -1.806 10.353 -4.349 80 2HB ASN 13 1HB ASN 13 -1.076 9.793 -2.844 81 1HD2 ASN 13 1HD2 ASN 13 1.074 10.421 -2.603 82 2HD2 ASN 13 2HD2 ASN 13 2.146 10.742 -3.880 83 H ASP 14 H ASP 14 -1.124 5.726 -4.539 84 HA ASP 14 HA ASP 14 0.009 5.194 -1.898 85 1HB ASP 14 2HB ASP 14 -1.493 3.595 -2.856 86 2HB ASP 14 1HB ASP 14 -0.603 3.566 -4.377 87 H GLN 15 H GLN 15 2.146 5.441 -1.443 88 HA GLN 15 HA GLN 15 4.139 5.068 -3.658 89 1HB GLN 15 2HB GLN 15 3.837 7.017 -1.396 90 2HB GLN 15 1HB GLN 15 5.464 6.621 -1.950 91 1HG GLN 15 2HG GLN 15 3.459 7.225 -4.064 92 2HG GLN 15 1HG GLN 15 3.985 8.584 -3.070 93 1HE2 GLN 15 1HE2 GLN 15 5.230 5.983 -5.209 94 2HE2 GLN 15 2HE2 GLN 15 6.682 6.776 -5.583 95 H CYS 16 H CYS 16 3.138 2.893 -2.028 96 HA CYS 16 HA CYS 16 4.902 2.311 0.193 97 1HB CYS 16 2HB CYS 16 2.548 1.358 -0.757 98 2HB CYS 16 1HB CYS 16 3.641 0.124 -1.384 99 H CYS 17 H CYS 17 6.298 0.197 0.061 100 HA CYS 17 HA CYS 17 8.406 0.600 -1.873 101 1HB CYS 17 2HB CYS 17 7.727 -1.667 0.030 102 2HB CYS 17 1HB CYS 17 9.258 -1.527 -0.833 103 H LYS 18 H LYS 18 8.245 0.039 -3.994 104 HA LYS 18 HA LYS 18 6.223 -1.784 -5.009 105 1HB LYS 18 2HB LYS 18 8.661 -0.453 -6.231 106 2HB LYS 18 1HB LYS 18 7.444 -1.325 -7.162 107 1HG LYS 18 2HG LYS 18 6.855 1.050 -5.368 108 2HG LYS 18 1HG LYS 18 7.039 1.141 -7.119 109 1HD LYS 18 2HD LYS 18 5.223 -0.888 -6.900 110 2HD LYS 18 1HD LYS 18 4.780 0.110 -5.514 111 1HE LYS 18 2HE LYS 18 5.129 2.024 -7.455 112 2HE LYS 18 1HE LYS 18 4.471 0.672 -8.397 113 1HZ LYS 18 1HZ LYS 18 2.664 1.923 -7.439 114 2HZ LYS 18 2HZ LYS 18 3.337 1.791 -5.885 115 3HZ LYS 18 3HZ LYS 18 2.748 0.409 -6.680 116 H SER 19 H SER 19 9.433 -2.254 -3.781 117 HA SER 19 HA SER 19 10.363 -4.468 -5.288 118 1HB SER 19 2HB SER 19 11.636 -4.950 -3.177 119 2HB SER 19 1HB SER 19 11.711 -3.259 -3.661 120 HG SER 19 HG SER 19 11.201 -3.714 -1.385 121 H SER 20 H SER 20 8.109 -4.376 -2.517 122 HA SER 20 HA SER 20 7.725 -7.329 -2.735 123 1HB SER 20 2HB SER 20 8.181 -5.816 -0.591 124 2HB SER 20 1HB SER 20 6.437 -5.588 -0.663 125 HG SER 20 HG SER 20 6.139 -7.660 -0.214 126 H ASN 21 H ASN 21 6.488 -4.900 -4.417 127 HA ASN 21 HA ASN 21 4.413 -4.401 -5.417 128 1HB ASN 21 2HB ASN 21 4.103 -7.350 -4.754 129 2HB ASN 21 1HB ASN 21 3.129 -6.470 -5.932 130 1HD2 ASN 21 1HD2 ASN 21 4.413 -5.430 -7.793 131 2HD2 ASN 21 2HD2 ASN 21 5.816 -6.223 -8.325 132 H LEU 22 H LEU 22 3.944 -3.085 -3.378 133 HA LEU 22 HA LEU 22 1.668 -4.285 -1.826 134 1HB LEU 22 2HB LEU 22 3.918 -2.395 -1.126 135 2HB LEU 22 1HB LEU 22 2.473 -2.503 -0.120 136 HG LEU 22 HG LEU 22 4.039 -4.964 -0.909 137 1HD1 LEU 22 1HD1 LEU 22 4.429 -3.191 1.523 138 2HD1 LEU 22 2HD1 LEU 22 5.603 -3.465 0.235 139 3HD1 LEU 22 3HD1 LEU 22 5.151 -4.787 1.312 140 1HD2 LEU 22 1HD2 LEU 22 2.967 -5.789 1.226 141 2HD2 LEU 22 2HD2 LEU 22 1.815 -5.391 -0.048 142 3HD2 LEU 22 3HD2 LEU 22 2.069 -4.273 1.293 143 H VAL 23 H VAL 23 -0.257 -3.187 -1.924 144 HA VAL 23 HA VAL 23 -0.261 -0.442 -3.146 145 HB VAL 23 HB VAL 23 -2.493 -1.150 -4.085 146 1HG1 VAL 23 1HG1 VAL 23 -0.198 -2.982 -4.840 147 2HG1 VAL 23 2HG1 VAL 23 -0.354 -1.308 -5.375 148 3HG1 VAL 23 3HG1 VAL 23 -1.551 -2.506 -5.867 149 1HG2 VAL 23 1HG2 VAL 23 -3.171 -3.456 -3.997 150 2HG2 VAL 23 2HG2 VAL 23 -2.821 -2.977 -2.337 151 3HG2 VAL 23 3HG2 VAL 23 -1.653 -3.939 -3.242 152 H CYS 24 H CYS 24 -1.748 1.060 -2.205 153 HA CYS 24 HA CYS 24 -2.418 0.544 0.594 154 1HB CYS 24 2HB CYS 24 -1.933 2.753 -1.107 155 2HB CYS 24 1HB CYS 24 -3.582 2.946 -0.512 156 H SER 25 H SER 25 -4.367 -0.145 1.363 157 HA SER 25 HA SER 25 -6.522 -0.849 -0.496 158 1HB SER 25 2HB SER 25 -5.591 -2.009 1.678 159 2HB SER 25 1HB SER 25 -6.689 -0.910 2.509 160 HG SER 25 HG SER 25 -7.259 -3.191 1.306 161 H ARG 26 H ARG 26 -8.814 -0.169 0.007 162 HA ARG 26 HA ARG 26 -8.934 2.760 0.463 163 1HB ARG 26 2HB ARG 26 -10.871 0.645 -0.525 164 2HB ARG 26 1HB ARG 26 -11.312 2.343 -0.349 165 1HG ARG 26 2HG ARG 26 -9.248 2.848 -1.811 166 2HG ARG 26 1HG ARG 26 -9.262 1.129 -2.206 167 1HD ARG 26 2HD ARG 26 -11.751 2.830 -2.499 168 2HD ARG 26 1HD ARG 26 -10.565 2.672 -3.809 169 HE ARG 26 HE ARG 26 -10.904 0.165 -3.603 170 1HH1 ARG 26 2HH1 ARG 26 -13.356 1.468 -4.781 171 2HH1 ARG 26 1HH1 ARG 26 -14.623 0.770 -3.829 172 1HH2 ARG 26 1HH2 ARG 26 -12.486 -0.347 -1.327 173 2HH2 ARG 26 2HH2 ARG 26 -14.128 -0.259 -1.869 174 H LYS 27 H LYS 27 -10.589 -0.188 1.683 175 HA LYS 27 HA LYS 27 -11.987 1.197 3.811 176 1HB LYS 27 2HB LYS 27 -11.536 -1.563 2.826 177 2HB LYS 27 1HB LYS 27 -11.919 -1.435 4.542 178 1HG LYS 27 2HG LYS 27 -14.088 -1.245 3.961 179 2HG LYS 27 1HG LYS 27 -13.699 0.330 3.271 180 1HD LYS 27 2HD LYS 27 -12.871 -1.186 1.231 181 2HD LYS 27 1HD LYS 27 -14.058 -2.302 1.905 182 1HE LYS 27 2HE LYS 27 -14.893 0.556 1.579 183 2HE LYS 27 1HE LYS 27 -14.783 -0.447 0.120 184 1HZ LYS 27 1HZ LYS 27 -16.235 -1.190 2.609 185 2HZ LYS 27 2HZ LYS 27 -16.133 -2.130 1.196 186 3HZ LYS 27 3HZ LYS 27 -16.966 -0.650 1.177 187 H HIS 28 H HIS 28 -8.880 -0.492 3.587 188 HA HIS 28 HA HIS 28 -8.396 -0.205 6.503 189 1HB HIS 28 2HB HIS 28 -6.773 -1.395 4.227 190 2HB HIS 28 1HB HIS 28 -6.359 -1.517 5.936 191 HD1 HIS 28 HD1 HIS 28 -8.587 -2.952 3.334 192 HD2 HIS 28 HD2 HIS 28 -8.198 -3.152 7.479 193 HE1 HIS 28 HE1 HIS 28 -10.003 -4.909 4.093 194 H ALA 29 H ALA 29 -7.552 1.341 3.472 195 HA ALA 29 HA ALA 29 -6.238 3.230 2.979 196 1HB ALA 29 1HB ALA 29 -6.376 3.878 5.916 197 2HB ALA 29 2HB ALA 29 -7.850 3.875 4.948 198 3HB ALA 29 3HB ALA 29 -6.527 4.965 4.535 199 H TRP 30 H TRP 30 -4.745 0.829 3.552 200 HA TRP 30 HA TRP 30 -2.193 2.063 4.418 201 1HB TRP 30 2HB TRP 30 -1.843 0.552 6.216 202 2HB TRP 30 1HB TRP 30 -3.511 1.077 6.394 203 HD1 TRP 30 HD1 TRP 30 -4.414 -0.958 3.870 204 HE1 TRP 30 HE1 TRP 30 -4.762 -3.435 4.477 205 HE3 TRP 30 HE3 TRP 30 -1.829 -1.145 8.257 206 HZ2 TRP 30 HZ2 TRP 30 -4.039 -5.259 6.557 207 HZ3 TRP 30 HZ3 TRP 30 -1.675 -3.262 9.536 208 HH2 TRP 30 HH2 TRP 30 -2.776 -5.318 8.693 209 H CYS 31 H CYS 31 -0.345 0.386 4.094 210 HA CYS 31 HA CYS 31 -0.474 -0.634 1.396 211 1HB CYS 31 2HB CYS 31 1.457 -0.833 3.706 212 2HB CYS 31 1HB CYS 31 1.765 -1.683 2.195 213 H LYS 32 H LYS 32 -1.543 -2.465 0.819 214 HA LYS 32 HA LYS 32 -1.484 -4.815 2.680 215 1HB LYS 32 2HB LYS 32 -3.652 -3.338 2.357 216 2HB LYS 32 1HB LYS 32 -3.791 -4.231 0.843 217 1HG LYS 32 2HG LYS 32 -3.336 -6.317 2.428 218 2HG LYS 32 1HG LYS 32 -3.981 -5.230 3.659 219 1HD LYS 32 2HD LYS 32 -6.072 -5.080 2.623 220 2HD LYS 32 1HD LYS 32 -5.436 -5.554 1.049 221 1HE LYS 32 2HE LYS 32 -5.258 -7.530 3.306 222 2HE LYS 32 1HE LYS 32 -6.817 -7.301 2.490 223 1HZ LYS 32 1HZ LYS 32 -4.228 -7.823 1.119 224 2HZ LYS 32 2HZ LYS 32 -5.739 -7.638 0.365 225 3HZ LYS 32 3HZ LYS 32 -5.446 -8.977 1.367 226 H TYR 33 H TYR 33 -1.394 -6.874 1.601 227 HA TYR 33 HA TYR 33 -0.051 -6.838 -0.996 228 1HB TYR 33 2HB TYR 33 -0.357 -8.554 1.263 229 2HB TYR 33 1HB TYR 33 -0.908 -9.453 -0.149 230 HD1 TYR 33 HD1 TYR 33 0.618 -9.447 -2.240 231 HD2 TYR 33 HD2 TYR 33 1.943 -8.283 1.679 232 HE1 TYR 33 HE1 TYR 33 2.973 -9.815 -2.926 233 HE2 TYR 33 HE2 TYR 33 4.297 -8.651 0.992 234 HH TYR 33 HH TYR 33 5.282 -10.402 -1.325 235 H GLU 34 H GLU 34 -0.859 -7.860 -2.928 236 HA GLU 34 HA GLU 34 -3.765 -7.560 -3.314 237 1HB GLU 34 2HB GLU 34 -1.748 -6.900 -4.854 238 2HB GLU 34 1HB GLU 34 -1.767 -8.600 -5.324 239 1HG GLU 34 2HG GLU 34 -3.323 -7.957 -6.848 240 2HG GLU 34 1HG GLU 34 -4.434 -7.941 -5.478 241 H ILE 35 H ILE 35 -4.090 -9.440 -1.693 242 HA ILE 35 HA ILE 35 -4.733 -11.661 -1.277 243 HB ILE 35 HB ILE 35 -4.793 -11.701 -4.316 244 1HG1 ILE 35 2HG1 ILE 35 -7.104 -11.099 -2.458 245 2HG1 ILE 35 1HG1 ILE 35 -6.060 -9.819 -3.074 246 1HG2 ILE 35 1HG2 ILE 35 -5.156 -13.809 -2.583 247 2HG2 ILE 35 2HG2 ILE 35 -5.880 -13.695 -4.187 248 3HG2 ILE 35 3HG2 ILE 35 -6.803 -13.205 -2.767 249 1HD1 ILE 35 1HD1 ILE 35 -7.788 -11.720 -4.670 250 2HD1 ILE 35 2HD1 ILE 35 -6.529 -10.730 -5.409 251 3HD1 ILE 35 3HD1 ILE 35 -7.895 -9.961 -4.601 252 1HN NH2 36 1HN NH2 36 -1.729 -13.433 -1.150 253 2HN NH2 36 2HN NH2 36 -3.261 -12.935 -0.400 Start of MODEL 17 1 1H GLU 1 1H GLU 1 -12.952 7.709 0.899 2 2H GLU 1 2H GLU 1 -12.517 9.266 0.381 3 3H GLU 1 3H GLU 1 -11.559 8.449 1.522 4 HA GLU 1 HA GLU 1 -11.992 7.434 -1.239 5 1HB GLU 1 2HB GLU 1 -9.938 8.569 -1.833 6 2HB GLU 1 1HB GLU 1 -11.004 9.760 -1.091 7 1HG GLU 1 2HG GLU 1 -9.301 10.235 0.316 8 2HG GLU 1 1HG GLU 1 -9.609 8.673 1.072 9 H CYS 2 H CYS 2 -10.112 5.960 -1.780 10 HA CYS 2 HA CYS 2 -8.621 4.799 0.489 11 1HB CYS 2 2HB CYS 2 -10.932 3.804 0.526 12 2HB CYS 2 1HB CYS 2 -10.643 3.178 -1.097 13 H LEU 3 H LEU 3 -6.840 3.531 -0.249 14 HA LEU 3 HA LEU 3 -6.150 3.916 -3.110 15 1HB LEU 3 2HB LEU 3 -4.611 2.863 -0.712 16 2HB LEU 3 1HB LEU 3 -3.910 3.187 -2.296 17 HG LEU 3 HG LEU 3 -5.440 5.363 -0.896 18 1HD1 LEU 3 1HD1 LEU 3 -3.863 4.516 0.792 19 2HD1 LEU 3 2HD1 LEU 3 -3.339 6.089 0.193 20 3HD1 LEU 3 3HD1 LEU 3 -2.545 4.621 -0.374 21 1HD2 LEU 3 1HD2 LEU 3 -4.239 5.223 -3.332 22 2HD2 LEU 3 2HD2 LEU 3 -2.894 5.819 -2.358 23 3HD2 LEU 3 3HD2 LEU 3 -4.406 6.724 -2.421 24 H GLY 4 H GLY 4 -5.634 2.154 -4.503 25 1HA GLY 4 2HA GLY 4 -6.816 -0.452 -3.676 26 2HA GLY 4 1HA GLY 4 -6.567 0.071 -5.341 27 H PHE 5 H PHE 5 -5.325 -1.705 -5.983 28 HA PHE 5 HA PHE 5 -2.923 -2.485 -4.449 29 1HB PHE 5 2HB PHE 5 -4.093 -4.308 -5.344 30 2HB PHE 5 1HB PHE 5 -4.478 -3.455 -6.836 31 HD1 PHE 5 HD1 PHE 5 -1.490 -4.698 -4.916 32 HD2 PHE 5 HD2 PHE 5 -3.262 -3.960 -8.760 33 HE1 PHE 5 HE1 PHE 5 0.479 -5.722 -6.023 34 HE2 PHE 5 HE2 PHE 5 -1.294 -4.985 -9.865 35 HZ PHE 5 HZ PHE 5 0.577 -5.866 -8.496 36 H GLY 6 H GLY 6 -0.884 -1.772 -4.924 37 1HA GLY 6 2HA GLY 6 0.914 -0.845 -6.104 38 2HA GLY 6 1HA GLY 6 -0.027 -1.032 -7.582 39 H LYS 7 H LYS 7 -0.506 0.907 -4.599 40 HA LYS 7 HA LYS 7 -0.726 3.333 -6.354 41 1HB LYS 7 2HB LYS 7 -2.418 2.300 -4.082 42 2HB LYS 7 1HB LYS 7 -2.387 4.025 -4.448 43 1HG LYS 7 2HG LYS 7 -3.033 1.853 -6.466 44 2HG LYS 7 1HG LYS 7 -4.237 2.824 -5.621 45 1HD LYS 7 2HD LYS 7 -2.634 4.794 -6.589 46 2HD LYS 7 1HD LYS 7 -2.431 3.576 -7.849 47 1HE LYS 7 2HE LYS 7 -4.755 3.537 -8.348 48 2HE LYS 7 1HE LYS 7 -5.175 4.357 -6.831 49 1HZ LYS 7 1HZ LYS 7 -5.130 5.854 -8.802 50 2HZ LYS 7 2HZ LYS 7 -3.464 5.560 -8.942 51 3HZ LYS 7 3HZ LYS 7 -4.080 6.329 -7.558 52 H GLY 8 H GLY 8 0.711 4.907 -5.786 53 1HA GLY 8 2HA GLY 8 2.674 4.652 -3.795 54 2HA GLY 8 1HA GLY 8 2.203 6.190 -4.513 55 H CYS 9 H CYS 9 2.664 4.908 -1.623 56 HA CYS 9 HA CYS 9 0.662 6.674 -0.321 57 1HB CYS 9 2HB CYS 9 0.163 4.676 1.246 58 2HB CYS 9 1HB CYS 9 -0.554 4.632 -0.362 59 H ASN 10 H ASN 10 1.110 6.355 2.247 60 HA ASN 10 HA ASN 10 4.042 6.778 2.576 61 1HB ASN 10 2HB ASN 10 1.513 7.679 3.854 62 2HB ASN 10 1HB ASN 10 2.892 7.484 4.935 63 1HD2 ASN 10 1HD2 ASN 10 1.642 9.355 2.208 64 2HD2 ASN 10 2HD2 ASN 10 2.875 10.522 2.213 65 HA PRO 11 HA PRO 11 4.370 2.823 4.543 66 1HB PRO 11 2HB PRO 11 6.782 3.214 5.785 67 2HB PRO 11 1HB PRO 11 6.625 2.897 4.046 68 1HG PRO 11 2HG PRO 11 7.052 5.476 5.470 69 2HG PRO 11 1HG PRO 11 7.738 4.903 3.941 70 1HD PRO 11 2HD PRO 11 5.678 6.678 4.088 71 2HD PRO 11 1HD PRO 11 5.914 5.563 2.723 72 H SER 12 H SER 12 5.060 5.768 6.456 73 HA SER 12 HA SER 12 4.545 4.502 9.031 74 1HB SER 12 2HB SER 12 4.746 6.832 9.827 75 2HB SER 12 1HB SER 12 6.028 6.457 8.678 76 HG SER 12 HG SER 12 5.065 7.692 7.187 77 H ASN 13 H ASN 13 2.635 6.342 6.689 78 HA ASN 13 HA ASN 13 0.189 5.787 8.331 79 1HB ASN 13 2HB ASN 13 1.358 8.303 7.314 80 2HB ASN 13 1HB ASN 13 -0.364 8.121 6.977 81 1HD2 ASN 13 1HD2 ASN 13 -1.842 8.184 8.772 82 2HD2 ASN 13 2HD2 ASN 13 -1.338 8.514 10.359 83 H ASP 14 H ASP 14 0.221 3.875 6.770 84 HA ASP 14 HA ASP 14 -0.434 4.502 3.956 85 1HB ASP 14 2HB ASP 14 -0.269 2.089 3.684 86 2HB ASP 14 1HB ASP 14 1.074 2.626 4.688 87 H GLN 15 H GLN 15 -2.510 4.543 3.158 88 HA GLN 15 HA GLN 15 -4.712 3.587 4.963 89 1HB GLN 15 2HB GLN 15 -4.515 6.008 3.139 90 2HB GLN 15 1HB GLN 15 -6.005 5.504 3.935 91 1HG GLN 15 2HG GLN 15 -5.360 6.694 5.736 92 2HG GLN 15 1HG GLN 15 -4.064 5.523 5.970 93 1HE2 GLN 15 1HE2 GLN 15 -4.050 8.532 6.398 94 2HE2 GLN 15 2HE2 GLN 15 -2.760 9.099 5.452 95 H CYS 16 H CYS 16 -3.741 1.722 3.236 96 HA CYS 16 HA CYS 16 -5.068 1.815 0.619 97 1HB CYS 16 2HB CYS 16 -3.293 -0.012 2.186 98 2HB CYS 16 1HB CYS 16 -4.240 -0.727 0.882 99 H CYS 17 H CYS 17 -6.678 0.134 -0.016 100 HA CYS 17 HA CYS 17 -8.879 -0.054 1.845 101 1HB CYS 17 2HB CYS 17 -8.175 -0.933 -0.908 102 2HB CYS 17 1HB CYS 17 -9.464 -1.840 -0.116 103 H LYS 18 H LYS 18 -9.157 -1.557 3.443 104 HA LYS 18 HA LYS 18 -7.266 -3.705 3.904 105 1HB LYS 18 2HB LYS 18 -9.904 -2.805 5.070 106 2HB LYS 18 1HB LYS 18 -9.115 -4.271 5.653 107 1HG LYS 18 2HG LYS 18 -7.279 -1.994 5.428 108 2HG LYS 18 1HG LYS 18 -8.599 -1.709 6.564 109 1HD LYS 18 2HD LYS 18 -7.997 -4.171 7.359 110 2HD LYS 18 1HD LYS 18 -6.429 -3.769 6.657 111 1HE LYS 18 2HE LYS 18 -5.987 -2.131 8.236 112 2HE LYS 18 1HE LYS 18 -7.704 -1.745 8.466 113 1HZ LYS 18 1HZ LYS 18 -6.247 -4.149 9.422 114 2HZ LYS 18 2HZ LYS 18 -7.943 -4.039 9.413 115 3HZ LYS 18 3HZ LYS 18 -7.024 -2.972 10.363 116 H SER 19 H SER 19 -10.310 -3.506 2.161 117 HA SER 19 HA SER 19 -11.228 -6.176 2.236 118 1HB SER 19 2HB SER 19 -12.266 -4.116 1.179 119 2HB SER 19 1HB SER 19 -11.158 -4.332 -0.171 120 HG SER 19 HG SER 19 -12.415 -5.850 -0.882 121 H SER 20 H SER 20 -8.741 -4.712 0.118 122 HA SER 20 HA SER 20 -8.178 -7.280 -1.216 123 1HB SER 20 2HB SER 20 -7.649 -4.439 -1.560 124 2HB SER 20 1HB SER 20 -6.184 -5.386 -1.799 125 HG SER 20 HG SER 20 -7.059 -6.332 -3.497 126 H ASN 21 H ASN 21 -7.163 -5.732 1.680 127 HA ASN 21 HA ASN 21 -5.487 -6.239 3.245 128 1HB ASN 21 2HB ASN 21 -6.507 -8.551 2.378 129 2HB ASN 21 1HB ASN 21 -4.881 -8.754 1.730 130 1HD2 ASN 21 1HD2 ASN 21 -4.910 -10.595 3.452 131 2HD2 ASN 21 2HD2 ASN 21 -4.426 -10.180 5.025 132 H LEU 22 H LEU 22 -4.381 -4.409 1.941 133 HA LEU 22 HA LEU 22 -1.806 -5.452 0.791 134 1HB LEU 22 2HB LEU 22 -3.538 -3.106 -0.049 135 2HB LEU 22 1HB LEU 22 -1.932 -3.427 -0.702 136 HG LEU 22 HG LEU 22 -4.163 -5.473 -0.775 137 1HD1 LEU 22 1HD1 LEU 22 -4.648 -4.780 -3.028 138 2HD1 LEU 22 2HD1 LEU 22 -3.310 -3.632 -3.022 139 3HD1 LEU 22 3HD1 LEU 22 -4.727 -3.339 -2.015 140 1HD2 LEU 22 1HD2 LEU 22 -1.634 -6.044 -1.040 141 2HD2 LEU 22 2HD2 LEU 22 -1.773 -5.242 -2.604 142 3HD2 LEU 22 3HD2 LEU 22 -2.756 -6.663 -2.252 143 H VAL 23 H VAL 23 0.052 -4.050 1.169 144 HA VAL 23 HA VAL 23 -0.326 -2.015 3.340 145 HB VAL 23 HB VAL 23 1.802 -2.975 4.323 146 1HG1 VAL 23 1HG1 VAL 23 0.670 -4.769 5.449 147 2HG1 VAL 23 2HG1 VAL 23 -0.435 -5.003 4.094 148 3HG1 VAL 23 3HG1 VAL 23 -0.547 -3.547 5.083 149 1HG2 VAL 23 1HG2 VAL 23 1.222 -5.320 2.488 150 2HG2 VAL 23 2HG2 VAL 23 2.581 -5.136 3.596 151 3HG2 VAL 23 3HG2 VAL 23 2.476 -4.125 2.155 152 H CYS 24 H CYS 24 1.200 -0.288 3.304 153 HA CYS 24 HA CYS 24 2.305 0.357 0.683 154 1HB CYS 24 2HB CYS 24 1.294 1.825 2.630 155 2HB CYS 24 1HB CYS 24 2.951 1.816 3.231 156 H SER 25 H SER 25 4.305 -0.255 -0.026 157 HA SER 25 HA SER 25 6.261 -1.422 1.872 158 1HB SER 25 2HB SER 25 5.510 -1.670 -0.903 159 2HB SER 25 1HB SER 25 7.234 -1.327 -0.797 160 HG SER 25 HG SER 25 5.902 -3.590 -0.217 161 H ARG 26 H ARG 26 8.551 -0.712 1.774 162 HA ARG 26 HA ARG 26 8.761 2.246 1.551 163 1HB ARG 26 2HB ARG 26 10.785 1.914 2.890 164 2HB ARG 26 1HB ARG 26 9.456 1.005 3.606 165 1HG ARG 26 2HG ARG 26 10.295 -1.063 2.839 166 2HG ARG 26 1HG ARG 26 11.330 -0.299 1.633 167 1HD ARG 26 2HD ARG 26 12.111 0.757 4.162 168 2HD ARG 26 1HD ARG 26 11.996 -1.005 4.339 169 HE ARG 26 HE ARG 26 13.666 -1.259 2.632 170 1HH1 ARG 26 1HH2 ARG 26 14.839 1.128 4.088 171 2HH1 ARG 26 2HH2 ARG 26 15.200 2.194 2.772 172 1HH2 ARG 26 2HH1 ARG 26 13.199 0.491 0.497 173 2HH2 ARG 26 1HH1 ARG 26 14.269 1.833 0.734 174 H LYS 27 H LYS 27 9.828 -0.656 -0.102 175 HA LYS 27 HA LYS 27 12.134 0.454 -1.444 176 1HB LYS 27 2HB LYS 27 11.415 -1.992 -1.083 177 2HB LYS 27 1HB LYS 27 10.312 -1.748 -2.438 178 1HG LYS 27 2HG LYS 27 12.670 -0.727 -3.429 179 2HG LYS 27 1HG LYS 27 13.239 -2.070 -2.438 180 1HD LYS 27 2HD LYS 27 11.007 -2.334 -4.470 181 2HD LYS 27 1HD LYS 27 12.696 -2.684 -4.835 182 1HE LYS 27 2HE LYS 27 12.754 -4.419 -3.102 183 2HE LYS 27 1HE LYS 27 11.086 -4.033 -2.634 184 1HZ LYS 27 1HZ LYS 27 12.005 -4.990 -5.295 185 2HZ LYS 27 2HZ LYS 27 10.422 -4.472 -4.957 186 3HZ LYS 27 3HZ LYS 27 11.051 -5.850 -4.189 187 H HIS 28 H HIS 28 8.737 0.002 -2.444 188 HA HIS 28 HA HIS 28 9.230 1.772 -4.804 189 1HB HIS 28 2HB HIS 28 7.556 -0.565 -4.156 190 2HB HIS 28 1HB HIS 28 6.700 0.698 -5.041 191 HD1 HIS 28 HD1 HIS 28 8.173 1.642 -7.217 192 HD2 HIS 28 HD2 HIS 28 9.009 -2.203 -5.839 193 HE1 HIS 28 HE1 HIS 28 9.401 0.461 -9.090 194 H ALA 29 H ALA 29 7.968 1.912 -1.651 195 HA ALA 29 HA ALA 29 6.644 3.496 -0.521 196 1HB ALA 29 1HB ALA 29 7.011 5.705 -1.268 197 2HB ALA 29 2HB ALA 29 7.027 5.226 -2.965 198 3HB ALA 29 3HB ALA 29 8.392 4.825 -1.922 199 H TRP 30 H TRP 30 5.172 1.571 -1.999 200 HA TRP 30 HA TRP 30 2.697 3.109 -2.528 201 1HB TRP 30 2HB TRP 30 2.446 2.321 -4.757 202 2HB TRP 30 1HB TRP 30 4.127 2.824 -4.650 203 HD1 TRP 30 HD1 TRP 30 4.980 0.087 -2.989 204 HE1 TRP 30 HE1 TRP 30 5.294 -2.062 -4.363 205 HE3 TRP 30 HE3 TRP 30 2.352 1.336 -7.177 206 HZ2 TRP 30 HZ2 TRP 30 4.528 -3.122 -6.906 207 HZ3 TRP 30 HZ3 TRP 30 2.161 -0.260 -9.062 208 HH2 TRP 30 HH2 TRP 30 3.244 -2.487 -8.933 209 H CYS 31 H CYS 31 0.871 1.377 -3.078 210 HA CYS 31 HA CYS 31 0.761 -0.451 -0.828 211 1HB CYS 31 2HB CYS 31 -1.043 0.898 -2.305 212 2HB CYS 31 1HB CYS 31 -1.136 -0.664 -3.119 213 H LYS 32 H LYS 32 2.021 -2.265 -0.882 214 HA LYS 32 HA LYS 32 2.106 -3.879 -3.412 215 1HB LYS 32 2HB LYS 32 4.256 -2.926 -2.613 216 2HB LYS 32 1HB LYS 32 4.020 -3.716 -1.054 217 1HG LYS 32 2HG LYS 32 4.872 -5.642 -1.848 218 2HG LYS 32 1HG LYS 32 3.705 -5.652 -3.168 219 1HD LYS 32 2HD LYS 32 5.793 -5.584 -4.266 220 2HD LYS 32 1HD LYS 32 5.251 -3.907 -4.290 221 1HE LYS 32 2HE LYS 32 6.904 -3.220 -2.852 222 2HE LYS 32 1HE LYS 32 6.821 -4.711 -1.893 223 1HZ LYS 32 1HZ LYS 32 8.867 -4.491 -3.293 224 2HZ LYS 32 2HZ LYS 32 7.878 -4.609 -4.668 225 3HZ LYS 32 3HZ LYS 32 7.973 -5.905 -3.572 226 H TYR 33 H TYR 33 1.881 -6.208 -3.141 227 HA TYR 33 HA TYR 33 -0.120 -7.105 -1.345 228 1HB TYR 33 2HB TYR 33 1.791 -8.206 -3.283 229 2HB TYR 33 1HB TYR 33 1.403 -9.342 -1.992 230 HD1 TYR 33 HD1 TYR 33 -0.258 -6.942 -4.347 231 HD2 TYR 33 HD2 TYR 33 -0.558 -10.616 -2.141 232 HE1 TYR 33 HE1 TYR 33 -2.446 -7.405 -5.416 233 HE2 TYR 33 HE2 TYR 33 -2.748 -11.079 -3.210 234 HH TYR 33 HH TYR 33 -4.638 -9.081 -4.464 235 H GLU 34 H GLU 34 -0.016 -8.231 0.647 236 HA GLU 34 HA GLU 34 2.034 -7.543 2.509 237 1HB GLU 34 2HB GLU 34 -0.100 -9.694 2.417 238 2HB GLU 34 1HB GLU 34 0.897 -9.412 3.844 239 1HG GLU 34 2HG GLU 34 0.077 -6.863 3.243 240 2HG GLU 34 1HG GLU 34 -1.331 -7.808 2.763 241 H ILE 35 H ILE 35 4.070 -8.375 2.709 242 HA ILE 35 HA ILE 35 4.807 -10.824 1.215 243 HB ILE 35 HB ILE 35 6.366 -8.755 2.803 244 1HG1 ILE 35 2HG1 ILE 35 6.885 -8.974 -0.059 245 2HG1 ILE 35 1HG1 ILE 35 5.185 -8.629 0.259 246 1HG2 ILE 35 1HG2 ILE 35 7.668 -10.755 2.861 247 2HG2 ILE 35 2HG2 ILE 35 8.331 -9.801 1.534 248 3HG2 ILE 35 3HG2 ILE 35 7.256 -11.157 1.193 249 1HD1 ILE 35 1HD1 ILE 35 7.520 -6.899 0.582 250 2HD1 ILE 35 2HD1 ILE 35 6.527 -6.963 2.039 251 3HD1 ILE 35 3HD1 ILE 35 5.811 -6.471 0.504 252 1HN NH2 36 1HN NH2 36 5.454 -13.081 3.819 253 2HN NH2 36 2HN NH2 36 5.995 -12.552 2.211 Start of MODEL 18 1 1H GLU 1 1H GLU 1 12.900 5.730 2.451 2 2H GLU 1 2H GLU 1 13.920 5.536 3.796 3 3H GLU 1 3H GLU 1 12.264 5.852 4.019 4 HA GLU 1 HA GLU 1 13.414 3.376 2.821 5 1HB GLU 1 2HB GLU 1 12.707 4.324 5.527 6 2HB GLU 1 1HB GLU 1 12.036 2.745 5.117 7 1HG GLU 1 2HG GLU 1 14.380 2.109 4.319 8 2HG GLU 1 1HG GLU 1 14.943 3.580 5.113 9 H CYS 2 H CYS 2 11.717 1.720 2.495 10 HA CYS 2 HA CYS 2 9.298 2.824 1.285 11 1HB CYS 2 2HB CYS 2 8.916 0.482 0.680 12 2HB CYS 2 1HB CYS 2 10.617 0.874 0.432 13 H LEU 3 H LEU 3 7.111 1.779 1.874 14 HA LEU 3 HA LEU 3 6.709 2.026 4.804 15 1HB LEU 3 2HB LEU 3 4.835 1.797 2.426 16 2HB LEU 3 1HB LEU 3 4.307 2.063 4.085 17 HG LEU 3 HG LEU 3 6.327 3.897 2.804 18 1HD1 LEU 3 1HD1 LEU 3 3.320 4.276 2.746 19 2HD1 LEU 3 2HD1 LEU 3 4.266 3.734 1.360 20 3HD1 LEU 3 3HD1 LEU 3 4.540 5.337 2.042 21 1HD2 LEU 3 1HD2 LEU 3 5.956 3.983 5.261 22 2HD2 LEU 3 2HD2 LEU 3 4.241 4.278 4.978 23 3HD2 LEU 3 3HD2 LEU 3 5.436 5.471 4.471 24 H GLY 4 H GLY 4 5.989 0.321 6.101 25 1HA GLY 4 2HA GLY 4 6.365 -2.389 5.065 26 2HA GLY 4 1HA GLY 4 5.961 -1.962 6.727 27 H PHE 5 H PHE 5 4.252 -3.471 6.906 28 HA PHE 5 HA PHE 5 2.044 -3.442 4.949 29 1HB PHE 5 2HB PHE 5 2.936 -5.502 6.048 30 2HB PHE 5 1HB PHE 5 2.388 -4.878 7.604 31 HD1 PHE 5 HD1 PHE 5 1.304 -6.155 4.305 32 HD2 PHE 5 HD2 PHE 5 0.036 -4.840 8.193 33 HE1 PHE 5 HE1 PHE 5 -0.962 -7.065 3.874 34 HE2 PHE 5 HE2 PHE 5 -2.229 -5.751 7.762 35 HZ PHE 5 HZ PHE 5 -2.728 -6.863 5.602 36 H GLY 6 H GLY 6 0.087 -2.411 5.256 37 1HA GLY 6 2HA GLY 6 -1.589 -1.128 6.279 38 2HA GLY 6 1HA GLY 6 -0.917 -1.600 7.839 39 H LYS 7 H LYS 7 0.101 0.408 5.052 40 HA LYS 7 HA LYS 7 0.873 2.555 7.002 41 1HB LYS 7 2HB LYS 7 2.345 1.232 4.743 42 2HB LYS 7 1HB LYS 7 2.676 2.931 5.081 43 1HG LYS 7 2HG LYS 7 2.657 0.952 7.342 44 2HG LYS 7 1HG LYS 7 4.077 1.072 6.303 45 1HD LYS 7 2HD LYS 7 4.735 2.961 7.331 46 2HD LYS 7 1HD LYS 7 3.173 3.718 7.018 47 1HE LYS 7 2HE LYS 7 2.294 2.332 9.016 48 2HE LYS 7 1HE LYS 7 4.003 2.070 9.416 49 1HZ LYS 7 1HZ LYS 7 2.702 4.710 8.984 50 2HZ LYS 7 2HZ LYS 7 4.352 4.469 9.316 51 3HZ LYS 7 3HZ LYS 7 3.181 4.078 10.483 52 H GLY 8 H GLY 8 -0.529 4.226 6.610 53 1HA GLY 8 2HA GLY 8 -2.083 4.562 4.252 54 2HA GLY 8 1HA GLY 8 -1.799 5.820 5.452 55 H CYS 9 H CYS 9 -1.437 5.177 2.263 56 HA CYS 9 HA CYS 9 0.751 7.187 1.992 57 1HB CYS 9 2HB CYS 9 2.138 5.709 0.943 58 2HB CYS 9 1HB CYS 9 1.160 4.483 1.737 59 H ASN 10 H ASN 10 0.872 7.325 -0.767 60 HA ASN 10 HA ASN 10 -1.776 8.467 -1.425 61 1HB ASN 10 2HB ASN 10 0.655 9.412 -1.785 62 2HB ASN 10 1HB ASN 10 0.634 8.397 -3.227 63 1HD2 ASN 10 1HD2 ASN 10 -0.745 11.291 -1.755 64 2HD2 ASN 10 2HD2 ASN 10 -1.602 11.801 -3.128 65 HA PRO 11 HA PRO 11 -2.958 4.869 -3.738 66 1HB PRO 11 2HB PRO 11 -5.022 5.988 -5.153 67 2HB PRO 11 1HB PRO 11 -5.147 5.537 -3.441 68 1HG PRO 11 2HG PRO 11 -4.686 8.214 -4.663 69 2HG PRO 11 1HG PRO 11 -5.682 7.767 -3.270 70 1HD PRO 11 2HD PRO 11 -3.220 8.894 -3.034 71 2HD PRO 11 1HD PRO 11 -3.902 7.787 -1.822 72 H SER 12 H SER 12 -2.777 7.976 -5.551 73 HA SER 12 HA SER 12 -2.238 6.688 -8.098 74 1HB SER 12 2HB SER 12 -1.955 8.968 -8.863 75 2HB SER 12 1HB SER 12 -3.269 8.963 -7.691 76 HG SER 12 HG SER 12 -2.022 9.977 -6.268 77 H ASN 13 H ASN 13 -0.233 8.082 -5.528 78 HA ASN 13 HA ASN 13 2.211 7.088 -6.962 79 1HB ASN 13 2HB ASN 13 1.778 9.622 -6.594 80 2HB ASN 13 1HB ASN 13 2.116 9.293 -4.894 81 1HD2 ASN 13 1HD2 ASN 13 3.567 9.565 -8.090 82 2HD2 ASN 13 2HD2 ASN 13 5.174 9.369 -7.580 83 H ASP 14 H ASP 14 1.389 5.037 -5.723 84 HA ASP 14 HA ASP 14 1.580 4.937 -2.849 85 1HB ASP 14 2HB ASP 14 1.341 2.556 -3.193 86 2HB ASP 14 1HB ASP 14 0.355 3.365 -4.408 87 H GLN 15 H GLN 15 3.336 4.581 -1.537 88 HA GLN 15 HA GLN 15 5.989 4.073 -2.852 89 1HB GLN 15 2HB GLN 15 5.203 5.824 -0.497 90 2HB GLN 15 1HB GLN 15 6.870 5.526 -0.989 91 1HG GLN 15 2HG GLN 15 5.047 6.412 -3.154 92 2HG GLN 15 1HG GLN 15 5.385 7.612 -1.908 93 1HE2 GLN 15 1HE2 GLN 15 7.173 8.873 -2.435 94 2HE2 GLN 15 2HE2 GLN 15 8.530 8.331 -3.298 95 H CYS 16 H CYS 16 4.278 1.977 -1.883 96 HA CYS 16 HA CYS 16 5.244 1.213 0.802 97 1HB CYS 16 2HB CYS 16 2.896 0.905 -0.276 98 2HB CYS 16 1HB CYS 16 3.628 -0.457 -1.124 99 H CYS 17 H CYS 17 6.331 -0.889 1.134 100 HA CYS 17 HA CYS 17 8.550 -1.321 -0.672 101 1HB CYS 17 2HB CYS 17 7.791 -1.953 1.966 102 2HB CYS 17 1HB CYS 17 7.996 -3.510 1.164 103 H LYS 18 H LYS 18 8.606 -2.621 -2.459 104 HA LYS 18 HA LYS 18 6.249 -4.156 -3.267 105 1HB LYS 18 2HB LYS 18 8.767 -3.151 -4.383 106 2HB LYS 18 1HB LYS 18 8.351 -4.754 -4.989 107 1HG LYS 18 2HG LYS 18 6.819 -3.836 -6.353 108 2HG LYS 18 1HG LYS 18 5.954 -3.211 -4.949 109 1HD LYS 18 2HD LYS 18 6.438 -1.235 -6.074 110 2HD LYS 18 1HD LYS 18 7.832 -1.354 -5.001 111 1HE LYS 18 2HE LYS 18 9.287 -1.848 -6.724 112 2HE LYS 18 1HE LYS 18 8.051 -2.719 -7.654 113 1HZ LYS 18 1HZ LYS 18 6.955 -0.629 -8.127 114 2HZ LYS 18 2HZ LYS 18 8.571 -0.554 -8.648 115 3HZ LYS 18 3HZ LYS 18 8.101 0.223 -7.212 116 H SER 19 H SER 19 9.002 -4.879 -1.344 117 HA SER 19 HA SER 19 9.550 -7.592 -2.064 118 1HB SER 19 2HB SER 19 10.826 -5.989 -0.539 119 2HB SER 19 1HB SER 19 9.634 -6.359 0.704 120 HG SER 19 HG SER 19 11.365 -7.761 0.921 121 H SER 20 H SER 20 7.109 -6.168 0.115 122 HA SER 20 HA SER 20 6.071 -8.874 0.795 123 1HB SER 20 2HB SER 20 6.508 -6.966 2.444 124 2HB SER 20 1HB SER 20 5.121 -6.154 1.726 125 HG SER 20 HG SER 20 5.257 -8.462 3.296 126 H ASN 21 H ASN 21 5.690 -7.083 -1.860 127 HA ASN 21 HA ASN 21 3.967 -6.727 -3.427 128 1HB ASN 21 2HB ASN 21 4.065 -9.281 -2.810 129 2HB ASN 21 1HB ASN 21 2.519 -8.963 -2.022 130 1HD2 ASN 21 1HD2 ASN 21 0.682 -8.380 -3.389 131 2HD2 ASN 21 2HD2 ASN 21 0.737 -8.579 -5.074 132 H LEU 22 H LEU 22 3.627 -4.745 -1.773 133 HA LEU 22 HA LEU 22 0.757 -4.830 -0.889 134 1HB LEU 22 2HB LEU 22 3.249 -3.663 0.360 135 2HB LEU 22 1HB LEU 22 1.641 -3.113 0.833 136 HG LEU 22 HG LEU 22 2.421 -6.036 0.837 137 1HD1 LEU 22 1HD1 LEU 22 2.940 -5.859 3.173 138 2HD1 LEU 22 2HD1 LEU 22 2.391 -4.184 3.231 139 3HD1 LEU 22 3HD1 LEU 22 3.867 -4.598 2.360 140 1HD2 LEU 22 1HD2 LEU 22 0.003 -5.478 0.811 141 2HD2 LEU 22 2HD2 LEU 22 0.229 -4.473 2.242 142 3HD2 LEU 22 3HD2 LEU 22 0.478 -6.217 2.340 143 H VAL 23 H VAL 23 -0.508 -3.199 -1.704 144 HA VAL 23 HA VAL 23 0.843 -0.845 -2.986 145 HB VAL 23 HB VAL 23 -0.947 -1.035 -4.750 146 1HG1 VAL 23 1HG1 VAL 23 0.128 -2.818 -5.961 147 2HG1 VAL 23 2HG1 VAL 23 0.677 -3.577 -4.467 148 3HG1 VAL 23 3HG1 VAL 23 1.365 -2.036 -4.978 149 1HG2 VAL 23 1HG2 VAL 23 -2.273 -3.066 -4.896 150 2HG2 VAL 23 2HG2 VAL 23 -2.538 -2.347 -3.309 151 3HG2 VAL 23 3HG2 VAL 23 -1.471 -3.741 -3.478 152 H CYS 24 H CYS 24 -0.402 1.132 -2.884 153 HA CYS 24 HA CYS 24 -2.026 1.435 -0.517 154 1HB CYS 24 2HB CYS 24 -0.719 3.045 -2.487 155 2HB CYS 24 1HB CYS 24 -2.387 3.600 -2.353 156 H SER 25 H SER 25 -4.111 0.766 -0.348 157 HA SER 25 HA SER 25 -5.762 0.046 -2.615 158 1HB SER 25 2HB SER 25 -5.770 -0.858 -0.226 159 2HB SER 25 1HB SER 25 -6.606 0.620 0.239 160 HG SER 25 HG SER 25 -7.857 -1.380 -0.431 161 H ARG 26 H ARG 26 -8.044 1.040 -2.825 162 HA ARG 26 HA ARG 26 -7.771 3.984 -3.069 163 1HB ARG 26 2HB ARG 26 -9.307 1.779 -4.286 164 2HB ARG 26 1HB ARG 26 -10.240 3.258 -4.058 165 1HG ARG 26 2HG ARG 26 -7.482 3.353 -5.270 166 2HG ARG 26 1HG ARG 26 -8.892 2.990 -6.266 167 1HD ARG 26 2HD ARG 26 -9.168 5.338 -4.456 168 2HD ARG 26 1HD ARG 26 -8.048 5.527 -5.819 169 HE ARG 26 HE ARG 26 -9.878 5.222 -7.331 170 1HH1 ARG 26 1HH2 ARG 26 -11.341 6.803 -5.186 171 2HH1 ARG 26 2HH2 ARG 26 -12.773 5.852 -4.977 172 1HH2 ARG 26 2HH1 ARG 26 -11.470 3.055 -6.575 173 2HH2 ARG 26 1HH1 ARG 26 -12.846 3.725 -5.765 174 H LYS 27 H LYS 27 -9.616 1.577 -1.240 175 HA LYS 27 HA LYS 27 -11.430 3.589 -0.077 176 1HB LYS 27 2HB LYS 27 -10.948 0.622 0.297 177 2HB LYS 27 1HB LYS 27 -12.159 1.512 1.221 178 1HG LYS 27 2HG LYS 27 -13.265 2.201 -0.867 179 2HG LYS 27 1HG LYS 27 -12.045 1.340 -1.805 180 1HD LYS 27 2HD LYS 27 -13.113 -0.625 -1.524 181 2HD LYS 27 1HD LYS 27 -13.187 -0.394 0.222 182 1HE LYS 27 2HE LYS 27 -15.061 1.199 -1.506 183 2HE LYS 27 1HE LYS 27 -15.434 -0.504 -1.178 184 1HZ LYS 27 1HZ LYS 27 -14.774 1.542 0.879 185 2HZ LYS 27 2HZ LYS 27 -15.137 -0.091 1.182 186 3HZ LYS 27 3HZ LYS 27 -16.329 0.945 0.556 187 H HIS 28 H HIS 28 -8.707 1.560 1.004 188 HA HIS 28 HA HIS 28 -8.697 2.869 3.666 189 1HB HIS 28 2HB HIS 28 -7.596 0.444 2.363 190 2HB HIS 28 1HB HIS 28 -6.574 1.159 3.609 191 HD1 HIS 28 HD1 HIS 28 -7.860 1.636 5.976 192 HD2 HIS 28 HD2 HIS 28 -9.675 -1.079 3.383 193 HE1 HIS 28 HE1 HIS 28 -9.519 0.318 7.364 194 H ALA 29 H ALA 29 -6.924 2.946 0.629 195 HA ALA 29 HA ALA 29 -5.146 4.306 -0.105 196 1HB ALA 29 1HB ALA 29 -6.855 5.901 1.078 197 2HB ALA 29 2HB ALA 29 -5.243 6.510 0.708 198 3HB ALA 29 3HB ALA 29 -5.633 5.989 2.346 199 H TRP 30 H TRP 30 -4.396 2.053 1.448 200 HA TRP 30 HA TRP 30 -1.828 3.030 2.556 201 1HB TRP 30 2HB TRP 30 -2.189 2.147 4.726 202 2HB TRP 30 1HB TRP 30 -3.700 2.950 4.334 203 HD1 TRP 30 HD1 TRP 30 -4.574 0.395 2.340 204 HE1 TRP 30 HE1 TRP 30 -5.560 -1.676 3.508 205 HE3 TRP 30 HE3 TRP 30 -2.879 1.178 7.088 206 HZ2 TRP 30 HZ2 TRP 30 -5.626 -2.846 6.115 207 HZ3 TRP 30 HZ3 TRP 30 -3.421 -0.428 8.896 208 HH2 TRP 30 HH2 TRP 30 -4.790 -2.438 8.416 209 H CYS 31 H CYS 31 -0.438 1.015 3.200 210 HA CYS 31 HA CYS 31 -0.075 -0.678 0.958 211 1HB CYS 31 2HB CYS 31 0.684 -0.931 3.882 212 2HB CYS 31 1HB CYS 31 1.289 -2.024 2.640 213 H LYS 32 H LYS 32 -1.588 -2.110 0.222 214 HA LYS 32 HA LYS 32 -2.892 -3.943 2.205 215 1HB LYS 32 2HB LYS 32 -4.499 -2.249 1.611 216 2HB LYS 32 1HB LYS 32 -4.079 -2.365 -0.098 217 1HG LYS 32 2HG LYS 32 -5.543 -4.049 -0.409 218 2HG LYS 32 1HG LYS 32 -4.853 -4.962 0.933 219 1HD LYS 32 2HD LYS 32 -6.165 -3.393 2.478 220 2HD LYS 32 1HD LYS 32 -7.033 -2.873 1.034 221 1HE LYS 32 2HE LYS 32 -8.397 -4.628 1.814 222 2HE LYS 32 1HE LYS 32 -7.356 -5.474 0.653 223 1HZ LYS 32 1HZ LYS 32 -7.372 -6.612 2.794 224 2HZ LYS 32 2HZ LYS 32 -6.832 -5.201 3.570 225 3HZ LYS 32 3HZ LYS 32 -5.828 -5.998 2.455 226 H TYR 33 H TYR 33 -2.969 -6.087 1.538 227 HA TYR 33 HA TYR 33 -1.419 -6.850 -0.841 228 1HB TYR 33 2HB TYR 33 -1.717 -7.888 1.621 229 2HB TYR 33 1HB TYR 33 -2.984 -8.798 0.799 230 HD1 TYR 33 HD1 TYR 33 -2.356 -9.991 -1.406 231 HD2 TYR 33 HD2 TYR 33 0.537 -8.528 1.411 232 HE1 TYR 33 HE1 TYR 33 -0.644 -11.490 -2.389 233 HE2 TYR 33 HE2 TYR 33 2.251 -10.028 0.429 234 HH TYR 33 HH TYR 33 2.230 -11.258 -2.370 235 H GLU 34 H GLU 34 -2.278 -7.959 -2.660 236 HA GLU 34 HA GLU 34 -4.979 -7.270 -3.456 237 1HB GLU 34 2HB GLU 34 -2.723 -8.958 -4.543 238 2HB GLU 34 1HB GLU 34 -4.275 -8.876 -5.377 239 1HG GLU 34 2HG GLU 34 -3.450 -7.022 -6.382 240 2HG GLU 34 1HG GLU 34 -3.743 -6.215 -4.841 241 H ILE 35 H ILE 35 -6.835 -8.456 -3.185 242 HA ILE 35 HA ILE 35 -6.803 -10.910 -1.606 243 HB ILE 35 HB ILE 35 -8.990 -9.421 -3.104 244 1HG1 ILE 35 2HG1 ILE 35 -7.932 -8.059 -1.357 245 2HG1 ILE 35 1HG1 ILE 35 -9.547 -8.540 -0.842 246 1HG2 ILE 35 1HG2 ILE 35 -9.078 -11.697 -1.116 247 2HG2 ILE 35 2HG2 ILE 35 -9.811 -11.624 -2.719 248 3HG2 ILE 35 3HG2 ILE 35 -10.464 -10.646 -1.404 249 1HD1 ILE 35 1HD1 ILE 35 -8.450 -10.493 0.371 250 2HD1 ILE 35 2HD1 ILE 35 -8.103 -8.899 1.039 251 3HD1 ILE 35 3HD1 ILE 35 -6.901 -9.717 0.042 252 1HN NH2 36 1HN NH2 36 -7.409 -11.606 -5.654 253 2HN NH2 36 2HN NH2 36 -6.952 -10.025 -4.984 Start of MODEL 19 1 1H GLU 1 1H GLU 1 10.641 10.802 0.266 2 2H GLU 1 2H GLU 1 8.944 10.756 0.195 3 3H GLU 1 3H GLU 1 9.869 9.906 -0.949 4 HA GLU 1 HA GLU 1 10.736 8.458 0.826 5 1HB GLU 1 2HB GLU 1 10.360 10.401 2.470 6 2HB GLU 1 1HB GLU 1 8.678 9.875 2.534 7 1HG GLU 1 2HG GLU 1 10.002 7.499 2.889 8 2HG GLU 1 1HG GLU 1 11.084 8.627 3.704 9 H CYS 2 H CYS 2 9.732 6.463 0.705 10 HA CYS 2 HA CYS 2 7.077 6.286 -0.538 11 1HB CYS 2 2HB CYS 2 7.637 3.950 -0.712 12 2HB CYS 2 1HB CYS 2 9.128 4.843 -1.001 13 H LEU 3 H LEU 3 5.418 4.751 0.455 14 HA LEU 3 HA LEU 3 5.009 5.463 3.299 15 1HB LEU 3 2HB LEU 3 3.320 3.980 1.256 16 2HB LEU 3 1HB LEU 3 2.763 4.484 2.850 17 HG LEU 3 HG LEU 3 3.996 6.577 1.117 18 1HD1 LEU 3 1HD1 LEU 3 1.680 4.971 0.329 19 2HD1 LEU 3 2HD1 LEU 3 2.594 6.155 -0.604 20 3HD1 LEU 3 3HD1 LEU 3 1.295 6.687 0.462 21 1HD2 LEU 3 1HD2 LEU 3 1.578 6.494 2.952 22 2HD2 LEU 3 2HD2 LEU 3 2.252 7.944 2.207 23 3HD2 LEU 3 3HD2 LEU 3 3.187 7.054 3.408 24 H GLY 4 H GLY 4 5.044 3.966 4.990 25 1HA GLY 4 2HA GLY 4 6.442 1.450 4.531 26 2HA GLY 4 1HA GLY 4 5.847 2.034 6.085 27 H PHE 5 H PHE 5 5.357 -0.497 5.942 28 HA PHE 5 HA PHE 5 2.961 -1.241 4.446 29 1HB PHE 5 2HB PHE 5 4.689 -2.870 4.953 30 2HB PHE 5 1HB PHE 5 4.567 -2.525 6.679 31 HD1 PHE 5 HD1 PHE 5 2.453 -3.635 3.782 32 HD2 PHE 5 HD2 PHE 5 3.175 -3.847 8.011 33 HE1 PHE 5 HE1 PHE 5 0.666 -5.338 4.003 34 HE2 PHE 5 HE2 PHE 5 1.389 -5.551 8.231 35 HZ PHE 5 HZ PHE 5 0.133 -6.295 6.226 36 H GLY 6 H GLY 6 0.849 -1.307 5.214 37 1HA GLY 6 2HA GLY 6 -0.949 -1.115 6.729 38 2HA GLY 6 1HA GLY 6 0.217 -1.035 8.049 39 H LYS 7 H LYS 7 -0.040 1.054 5.171 40 HA LYS 7 HA LYS 7 -0.440 3.391 7.010 41 1HB LYS 7 2HB LYS 7 1.489 2.745 4.920 42 2HB LYS 7 1HB LYS 7 0.666 4.267 4.583 43 1HG LYS 7 2HG LYS 7 1.863 3.633 7.289 44 2HG LYS 7 1HG LYS 7 2.774 4.442 6.015 45 1HD LYS 7 2HD LYS 7 0.070 5.481 6.842 46 2HD LYS 7 1HD LYS 7 1.511 5.908 7.765 47 1HE LYS 7 2HE LYS 7 2.556 6.619 5.522 48 2HE LYS 7 1HE LYS 7 0.912 6.521 4.860 49 1HZ LYS 7 1HZ LYS 7 1.717 8.087 7.258 50 2HZ LYS 7 2HZ LYS 7 0.143 7.981 6.627 51 3HZ LYS 7 3HZ LYS 7 1.370 8.739 5.731 52 H GLY 8 H GLY 8 -2.436 4.300 6.724 53 1HA GLY 8 2HA GLY 8 -4.273 3.580 4.681 54 2HA GLY 8 1HA GLY 8 -4.419 5.014 5.695 55 H CYS 9 H CYS 9 -4.060 4.002 2.540 56 HA CYS 9 HA CYS 9 -3.256 6.738 1.682 57 1HB CYS 9 2HB CYS 9 -1.288 6.029 0.783 58 2HB CYS 9 1HB CYS 9 -1.494 4.600 1.788 59 H ASN 10 H ASN 10 -3.383 6.596 -0.976 60 HA ASN 10 HA ASN 10 -6.184 5.817 -1.516 61 1HB ASN 10 2HB ASN 10 -4.011 7.371 -2.931 62 2HB ASN 10 1HB ASN 10 -5.525 6.974 -3.744 63 1HD2 ASN 10 1HD2 ASN 10 -4.038 9.189 -1.561 64 2HD2 ASN 10 2HD2 ASN 10 -5.447 10.002 -1.077 65 HA PRO 11 HA PRO 11 -4.934 1.996 -3.395 66 1HB PRO 11 2HB PRO 11 -7.304 1.417 -4.645 67 2HB PRO 11 1HB PRO 11 -7.046 1.205 -2.903 68 1HG PRO 11 2HG PRO 11 -8.414 3.416 -4.354 69 2HG PRO 11 1HG PRO 11 -8.848 2.628 -2.829 70 1HD PRO 11 2HD PRO 11 -7.625 5.052 -2.954 71 2HD PRO 11 1HD PRO 11 -7.413 3.924 -1.597 72 H SER 12 H SER 12 -6.732 4.385 -5.381 73 HA SER 12 HA SER 12 -5.773 3.397 -7.926 74 1HB SER 12 2HB SER 12 -6.980 5.994 -6.946 75 2HB SER 12 1HB SER 12 -6.600 5.714 -8.643 76 HG SER 12 HG SER 12 -8.597 4.654 -7.047 77 H ASN 13 H ASN 13 -4.801 6.151 -5.869 78 HA ASN 13 HA ASN 13 -2.277 6.389 -7.464 79 1HB ASN 13 2HB ASN 13 -3.910 8.326 -7.218 80 2HB ASN 13 1HB ASN 13 -3.515 8.344 -5.500 81 1HD2 ASN 13 1HD2 ASN 13 -1.877 8.485 -8.717 82 2HD2 ASN 13 2HD2 ASN 13 -0.624 9.503 -8.194 83 H ASP 14 H ASP 14 -1.938 4.287 -5.954 84 HA ASP 14 HA ASP 14 -1.129 4.934 -3.198 85 1HB ASP 14 2HB ASP 14 -0.697 2.516 -3.092 86 2HB ASP 14 1HB ASP 14 -2.262 2.813 -3.844 87 H GLN 15 H GLN 15 0.963 5.295 -2.530 88 HA GLN 15 HA GLN 15 3.161 4.928 -4.541 89 1HB GLN 15 2HB GLN 15 2.121 7.305 -3.741 90 2HB GLN 15 1HB GLN 15 3.343 7.079 -2.489 91 1HG GLN 15 2HG GLN 15 4.712 6.370 -4.780 92 2HG GLN 15 1HG GLN 15 3.683 7.686 -5.346 93 1HE2 GLN 15 1HE2 GLN 15 4.368 9.794 -4.847 94 2HE2 GLN 15 2HE2 GLN 15 5.594 10.165 -3.734 95 H CYS 16 H CYS 16 2.397 3.001 -2.529 96 HA CYS 16 HA CYS 16 4.017 3.241 -0.142 97 1HB CYS 16 2HB CYS 16 1.945 1.709 -0.931 98 2HB CYS 16 1HB CYS 16 3.261 0.586 -1.278 99 H CYS 17 H CYS 17 5.924 1.889 0.338 100 HA CYS 17 HA CYS 17 8.012 2.061 -1.583 101 1HB CYS 17 2HB CYS 17 7.596 1.230 1.112 102 2HB CYS 17 1HB CYS 17 8.470 -0.068 0.298 103 H LYS 18 H LYS 18 8.258 0.886 -3.431 104 HA LYS 18 HA LYS 18 6.752 -1.602 -3.868 105 1HB LYS 18 2HB LYS 18 8.706 0.041 -5.506 106 2HB LYS 18 1HB LYS 18 7.880 -1.389 -6.126 107 1HG LYS 18 2HG LYS 18 5.790 0.037 -5.049 108 2HG LYS 18 1HG LYS 18 6.832 1.325 -5.654 109 1HD LYS 18 2HD LYS 18 5.762 0.907 -7.625 110 2HD LYS 18 1HD LYS 18 6.936 -0.402 -7.751 111 1HE LYS 18 2HE LYS 18 5.371 -2.026 -6.960 112 2HE LYS 18 1HE LYS 18 4.250 -0.773 -6.392 113 1HZ LYS 18 1HZ LYS 18 3.970 -0.013 -8.657 114 2HZ LYS 18 2HZ LYS 18 3.587 -1.666 -8.561 115 3HZ LYS 18 3HZ LYS 18 5.072 -1.172 -9.222 116 H SER 19 H SER 19 9.687 -0.939 -2.353 117 HA SER 19 HA SER 19 11.465 -2.925 -3.379 118 1HB SER 19 2HB SER 19 11.867 -0.982 -1.758 119 2HB SER 19 1HB SER 19 11.192 -2.014 -0.501 120 HG SER 19 HG SER 19 13.512 -2.129 -0.720 121 H SER 20 H SER 20 8.899 -3.103 -0.903 122 HA SER 20 HA SER 20 9.415 -6.031 -0.582 123 1HB SER 20 2HB SER 20 7.921 -3.919 0.988 124 2HB SER 20 1HB SER 20 7.800 -5.632 1.374 125 HG SER 20 HG SER 20 9.635 -3.990 2.184 126 H ASN 21 H ASN 21 7.865 -4.521 -2.860 127 HA ASN 21 HA ASN 21 5.910 -4.855 -4.130 128 1HB ASN 21 2HB ASN 21 7.104 -7.191 -3.682 129 2HB ASN 21 1HB ASN 21 5.630 -7.514 -2.768 130 1HD2 ASN 21 1HD2 ASN 21 3.569 -7.527 -3.975 131 2HD2 ASN 21 2HD2 ASN 21 3.555 -7.676 -5.666 132 H LEU 22 H LEU 22 5.155 -3.229 -2.209 133 HA LEU 22 HA LEU 22 2.791 -4.481 -0.845 134 1HB LEU 22 2HB LEU 22 4.642 -2.183 -0.167 135 2HB LEU 22 1HB LEU 22 3.108 -2.423 0.669 136 HG LEU 22 HG LEU 22 5.244 -4.561 0.443 137 1HD1 LEU 22 1HD1 LEU 22 4.621 -2.717 2.771 138 2HD1 LEU 22 2HD1 LEU 22 6.045 -2.595 1.737 139 3HD1 LEU 22 3HD1 LEU 22 5.817 -4.012 2.762 140 1HD2 LEU 22 1HD2 LEU 22 3.807 -5.245 2.586 141 2HD2 LEU 22 2HD2 LEU 22 3.299 -5.711 0.962 142 3HD2 LEU 22 3HD2 LEU 22 2.561 -4.316 1.751 143 H VAL 23 H VAL 23 0.806 -3.735 -1.461 144 HA VAL 23 HA VAL 23 0.655 -1.154 -2.991 145 HB VAL 23 HB VAL 23 -1.115 -2.273 -4.337 146 1HG1 VAL 23 1HG1 VAL 23 1.363 -4.007 -4.283 147 2HG1 VAL 23 2HG1 VAL 23 1.373 -2.363 -4.921 148 3HG1 VAL 23 3HG1 VAL 23 0.358 -3.594 -5.672 149 1HG2 VAL 23 1HG2 VAL 23 -1.853 -3.883 -2.595 150 2HG2 VAL 23 2HG2 VAL 23 -0.321 -4.746 -2.757 151 3HG2 VAL 23 3HG2 VAL 23 -1.456 -4.702 -4.107 152 H CYS 24 H CYS 24 -1.361 0.034 -2.687 153 HA CYS 24 HA CYS 24 -2.441 -0.178 0.011 154 1HB CYS 24 2HB CYS 24 -2.246 1.728 -2.085 155 2HB CYS 24 1HB CYS 24 -3.964 1.534 -1.737 156 H SER 25 H SER 25 -3.965 -1.674 0.530 157 HA SER 25 HA SER 25 -5.633 -3.001 -1.464 158 1HB SER 25 2HB SER 25 -4.679 -3.993 0.651 159 2HB SER 25 1HB SER 25 -5.793 -2.985 1.569 160 HG SER 25 HG SER 25 -7.289 -4.388 1.149 161 H ARG 26 H ARG 26 -8.002 -2.927 -1.454 162 HA ARG 26 HA ARG 26 -9.055 -0.207 -0.961 163 1HB ARG 26 2HB ARG 26 -9.506 -2.399 -2.748 164 2HB ARG 26 1HB ARG 26 -11.019 -2.070 -1.905 165 1HG ARG 26 2HG ARG 26 -9.335 0.002 -3.345 166 2HG ARG 26 1HG ARG 26 -10.822 -0.713 -3.968 167 1HD ARG 26 2HD ARG 26 -11.758 0.126 -1.589 168 2HD ARG 26 1HD ARG 26 -10.463 1.319 -1.811 169 HE ARG 26 HE ARG 26 -11.476 1.790 -4.076 170 1HH1 ARG 26 2HH1 ARG 26 -13.341 2.872 -2.046 171 2HH1 ARG 26 1HH1 ARG 26 -14.856 2.165 -2.499 172 1HH2 ARG 26 1HH2 ARG 26 -13.418 -0.290 -4.492 173 2HH2 ARG 26 2HH2 ARG 26 -14.900 0.371 -3.887 174 H LYS 27 H LYS 27 -9.365 -3.470 0.366 175 HA LYS 27 HA LYS 27 -11.763 -3.197 1.863 176 1HB LYS 27 2HB LYS 27 -10.161 -5.201 1.370 177 2HB LYS 27 1HB LYS 27 -9.329 -4.684 2.836 178 1HG LYS 27 2HG LYS 27 -11.329 -4.966 4.158 179 2HG LYS 27 1HG LYS 27 -12.303 -5.246 2.715 180 1HD LYS 27 2HD LYS 27 -10.725 -7.237 2.258 181 2HD LYS 27 1HD LYS 27 -10.208 -7.046 3.933 182 1HE LYS 27 2HE LYS 27 -13.151 -7.074 3.496 183 2HE LYS 27 1HE LYS 27 -12.307 -8.612 3.231 184 1HZ LYS 27 1HZ LYS 27 -11.985 -6.877 5.626 185 2HZ LYS 27 2HZ LYS 27 -11.223 -8.373 5.365 186 3HZ LYS 27 3HZ LYS 27 -12.907 -8.300 5.576 187 H HIS 28 H HIS 28 -8.401 -2.428 2.788 188 HA HIS 28 HA HIS 28 -9.462 -0.994 5.202 189 1HB HIS 28 2HB HIS 28 -6.981 -2.556 4.554 190 2HB HIS 28 1HB HIS 28 -6.900 -1.311 5.800 191 HD1 HIS 28 HD1 HIS 28 -8.689 -1.572 7.810 192 HD2 HIS 28 HD2 HIS 28 -8.183 -4.927 5.385 193 HE1 HIS 28 HE1 HIS 28 -9.673 -3.530 9.079 194 H ALA 29 H ALA 29 -8.323 -0.368 2.107 195 HA ALA 29 HA ALA 29 -7.413 1.533 1.056 196 1HB ALA 29 1HB ALA 29 -8.267 2.985 3.563 197 2HB ALA 29 2HB ALA 29 -9.456 2.321 2.443 198 3HB ALA 29 3HB ALA 29 -8.322 3.554 1.895 199 H TRP 30 H TRP 30 -5.484 0.008 2.480 200 HA TRP 30 HA TRP 30 -3.518 2.133 3.107 201 1HB TRP 30 2HB TRP 30 -3.075 1.343 5.313 202 2HB TRP 30 1HB TRP 30 -4.826 1.435 5.192 203 HD1 TRP 30 HD1 TRP 30 -4.852 -1.418 3.399 204 HE1 TRP 30 HE1 TRP 30 -4.704 -3.600 4.751 205 HE3 TRP 30 HE3 TRP 30 -2.961 0.391 7.775 206 HZ2 TRP 30 HZ2 TRP 30 -3.894 -4.471 7.353 207 HZ3 TRP 30 HZ3 TRP 30 -2.513 -1.134 9.677 208 HH2 TRP 30 HH2 TRP 30 -2.977 -3.562 9.471 209 H CYS 31 H CYS 31 -1.268 1.084 3.455 210 HA CYS 31 HA CYS 31 -0.605 -0.567 1.222 211 1HB CYS 31 2HB CYS 31 0.779 0.201 3.797 212 2HB CYS 31 1HB CYS 31 1.576 -0.806 2.592 213 H LYS 32 H LYS 32 -0.923 -2.721 0.958 214 HA LYS 32 HA LYS 32 -0.879 -4.516 3.357 215 1HB LYS 32 2HB LYS 32 -3.155 -3.664 2.091 216 2HB LYS 32 1HB LYS 32 -2.803 -5.143 1.196 217 1HG LYS 32 2HG LYS 32 -2.506 -6.260 3.498 218 2HG LYS 32 1HG LYS 32 -3.289 -4.825 4.161 219 1HD LYS 32 2HD LYS 32 -5.272 -5.212 2.817 220 2HD LYS 32 1HD LYS 32 -4.484 -6.540 1.964 221 1HE LYS 32 2HE LYS 32 -5.646 -7.771 3.554 222 2HE LYS 32 1HE LYS 32 -4.182 -7.436 4.498 223 1HZ LYS 32 1HZ LYS 32 -6.564 -5.657 4.430 224 2HZ LYS 32 2HZ LYS 32 -5.199 -5.500 5.430 225 3HZ LYS 32 3HZ LYS 32 -6.273 -6.797 5.651 226 H TYR 33 H TYR 33 -0.666 -6.865 2.629 227 HA TYR 33 HA TYR 33 1.511 -7.144 0.711 228 1HB TYR 33 2HB TYR 33 -0.006 -8.763 2.668 229 2HB TYR 33 1HB TYR 33 0.603 -9.677 1.289 230 HD1 TYR 33 HD1 TYR 33 2.722 -10.595 1.511 231 HD2 TYR 33 HD2 TYR 33 1.807 -6.948 3.581 232 HE1 TYR 33 HE1 TYR 33 4.994 -10.590 2.507 233 HE2 TYR 33 HE2 TYR 33 4.076 -6.942 4.576 234 HH TYR 33 HH TYR 33 6.520 -8.256 3.583 235 H GLU 34 H GLU 34 1.364 -8.702 -1.157 236 HA GLU 34 HA GLU 34 -1.107 -8.221 -2.717 237 1HB GLU 34 2HB GLU 34 1.312 -7.934 -3.517 238 2HB GLU 34 1HB GLU 34 1.415 -9.695 -3.519 239 1HG GLU 34 2HG GLU 34 -0.815 -9.524 -4.921 240 2HG GLU 34 1HG GLU 34 -0.235 -7.893 -5.263 241 H ILE 35 H ILE 35 -2.705 -9.661 -2.064 242 HA ILE 35 HA ILE 35 -3.840 -11.697 -1.763 243 HB ILE 35 HB ILE 35 -1.553 -12.653 -3.528 244 1HG1 ILE 35 2HG1 ILE 35 -4.276 -11.985 -4.567 245 2HG1 ILE 35 1HG1 ILE 35 -3.204 -10.642 -4.174 246 1HG2 ILE 35 1HG2 ILE 35 -4.166 -13.845 -2.656 247 2HG2 ILE 35 2HG2 ILE 35 -2.599 -14.627 -2.869 248 3HG2 ILE 35 3HG2 ILE 35 -3.568 -14.197 -4.279 249 1HD1 ILE 35 1HD1 ILE 35 -2.448 -12.963 -5.971 250 2HD1 ILE 35 2HD1 ILE 35 -1.480 -11.526 -5.650 251 3HD1 ILE 35 3HD1 ILE 35 -2.990 -11.389 -6.549 252 1HN NH2 36 1HN NH2 36 -2.425 -13.036 1.132 253 2HN NH2 36 2HN NH2 36 -3.844 -12.462 0.230 Start of MODEL 20 1 1H GLU 1 1H GLU 1 11.366 8.725 -0.880 2 2H GLU 1 2H GLU 1 12.567 7.598 -0.464 3 3H GLU 1 3H GLU 1 12.678 9.202 0.083 4 HA GLU 1 HA GLU 1 11.934 7.782 1.889 5 1HB GLU 1 2HB GLU 1 10.965 10.183 1.044 6 2HB GLU 1 1HB GLU 1 9.471 9.248 1.106 7 1HG GLU 1 2HG GLU 1 9.502 9.112 3.377 8 2HG GLU 1 1HG GLU 1 11.248 8.871 3.435 9 H CYS 2 H CYS 2 10.587 6.093 2.589 10 HA CYS 2 HA CYS 2 8.655 4.969 0.584 11 1HB CYS 2 2HB CYS 2 10.969 3.852 0.859 12 2HB CYS 2 1HB CYS 2 10.394 3.340 2.445 13 H LEU 3 H LEU 3 6.845 3.824 1.536 14 HA LEU 3 HA LEU 3 6.164 4.766 4.275 15 1HB LEU 3 2HB LEU 3 4.553 3.400 2.091 16 2HB LEU 3 1HB LEU 3 3.886 4.060 3.582 17 HG LEU 3 HG LEU 3 5.433 5.708 1.562 18 1HD1 LEU 3 1HD1 LEU 3 3.252 6.580 0.849 19 2HD1 LEU 3 2HD1 LEU 3 2.435 5.500 1.978 20 3HD1 LEU 3 3HD1 LEU 3 3.315 4.834 0.603 21 1HD2 LEU 3 1HD2 LEU 3 3.943 6.265 4.117 22 2HD2 LEU 3 2HD2 LEU 3 4.061 7.517 2.881 23 3HD2 LEU 3 3HD2 LEU 3 5.525 6.854 3.606 24 H GLY 4 H GLY 4 5.757 3.325 5.979 25 1HA GLY 4 2HA GLY 4 6.883 0.635 5.729 26 2HA GLY 4 1HA GLY 4 6.240 1.357 7.203 27 H PHE 5 H PHE 5 5.161 -0.749 7.536 28 HA PHE 5 HA PHE 5 3.028 -1.541 5.669 29 1HB PHE 5 2HB PHE 5 4.425 -3.163 6.916 30 2HB PHE 5 1HB PHE 5 3.814 -2.514 8.438 31 HD1 PHE 5 HD1 PHE 5 2.743 -4.152 5.256 32 HD2 PHE 5 HD2 PHE 5 1.757 -3.264 9.343 33 HE1 PHE 5 HE1 PHE 5 0.771 -5.649 5.107 34 HE2 PHE 5 HE2 PHE 5 -0.214 -4.761 9.192 35 HZ PHE 5 HZ PHE 5 -0.706 -5.953 7.075 36 H GLY 6 H GLY 6 0.809 -1.303 6.041 37 1HA GLY 6 2HA GLY 6 -1.172 -0.558 7.062 38 2HA GLY 6 1HA GLY 6 -0.261 -0.280 8.543 39 H LYS 7 H LYS 7 1.192 1.254 5.850 40 HA LYS 7 HA LYS 7 0.581 3.900 6.909 41 1HB LYS 7 2HB LYS 7 2.321 2.615 4.917 42 2HB LYS 7 1HB LYS 7 1.743 4.199 4.403 43 1HG LYS 7 2HG LYS 7 2.936 3.717 7.141 44 2HG LYS 7 1HG LYS 7 3.911 4.196 5.752 45 1HD LYS 7 2HD LYS 7 3.094 6.328 5.744 46 2HD LYS 7 1HD LYS 7 1.471 5.816 6.205 47 1HE LYS 7 2HE LYS 7 2.112 6.861 8.180 48 2HE LYS 7 1HE LYS 7 2.744 5.236 8.509 49 1HZ LYS 7 1HZ LYS 7 4.257 7.454 7.225 50 2HZ LYS 7 2HZ LYS 7 4.856 5.892 7.526 51 3HZ LYS 7 3HZ LYS 7 4.464 6.919 8.821 52 H GLY 8 H GLY 8 -1.252 5.030 6.416 53 1HA GLY 8 2HA GLY 8 -3.104 4.110 4.377 54 2HA GLY 8 1HA GLY 8 -3.288 5.562 5.358 55 H CYS 9 H CYS 9 -1.879 4.261 2.407 56 HA CYS 9 HA CYS 9 -1.078 7.001 1.534 57 1HB CYS 9 2HB CYS 9 0.504 5.913 0.255 58 2HB CYS 9 1HB CYS 9 0.248 4.654 1.459 59 H ASN 10 H ASN 10 -1.385 6.874 -1.179 60 HA ASN 10 HA ASN 10 -4.327 6.941 -1.491 61 1HB ASN 10 2HB ASN 10 -1.923 7.806 -3.108 62 2HB ASN 10 1HB ASN 10 -3.555 7.880 -3.773 63 1HD2 ASN 10 1HD2 ASN 10 -5.157 9.259 -2.554 64 2HD2 ASN 10 2HD2 ASN 10 -4.585 10.562 -1.629 65 HA PRO 11 HA PRO 11 -4.509 3.007 -3.496 66 1HB PRO 11 2HB PRO 11 -6.842 3.352 -4.897 67 2HB PRO 11 1HB PRO 11 -6.794 3.067 -3.146 68 1HG PRO 11 2HG PRO 11 -7.136 5.622 -4.637 69 2HG PRO 11 1HG PRO 11 -7.935 5.062 -3.159 70 1HD PRO 11 2HD PRO 11 -5.888 6.850 -3.154 71 2HD PRO 11 1HD PRO 11 -6.201 5.727 -1.812 72 H SER 12 H SER 12 -5.194 5.884 -5.528 73 HA SER 12 HA SER 12 -4.383 4.589 -8.012 74 1HB SER 12 2HB SER 12 -5.346 7.210 -7.040 75 2HB SER 12 1HB SER 12 -4.286 7.299 -8.445 76 HG SER 12 HG SER 12 -6.845 6.352 -8.210 77 H ASN 13 H ASN 13 -2.847 6.702 -5.616 78 HA ASN 13 HA ASN 13 -0.257 6.484 -7.110 79 1HB ASN 13 2HB ASN 13 -1.614 8.552 -5.434 80 2HB ASN 13 1HB ASN 13 0.145 8.465 -5.324 81 1HD2 ASN 13 1HD2 ASN 13 1.362 9.292 -7.086 82 2HD2 ASN 13 2HD2 ASN 13 0.662 9.898 -8.508 83 H ASP 14 H ASP 14 -0.428 4.209 -5.964 84 HA ASP 14 HA ASP 14 0.100 4.142 -3.089 85 1HB ASP 14 2HB ASP 14 -1.098 2.336 -4.161 86 2HB ASP 14 1HB ASP 14 0.188 2.115 -5.346 87 H GLN 15 H GLN 15 2.057 4.922 -2.395 88 HA GLN 15 HA GLN 15 4.515 4.164 -3.945 89 1HB GLN 15 2HB GLN 15 3.601 6.613 -2.473 90 2HB GLN 15 1HB GLN 15 5.330 6.272 -2.534 91 1HG GLN 15 2HG GLN 15 5.465 6.635 -4.798 92 2HG GLN 15 1HG GLN 15 3.833 6.036 -5.097 93 1HE2 GLN 15 1HE2 GLN 15 2.081 7.562 -5.026 94 2HE2 GLN 15 2HE2 GLN 15 2.326 9.228 -4.817 95 H CYS 16 H CYS 16 3.330 2.396 -2.014 96 HA CYS 16 HA CYS 16 4.765 2.710 0.535 97 1HB CYS 16 2HB CYS 16 2.415 1.633 -0.142 98 2HB CYS 16 1HB CYS 16 3.408 0.187 -0.327 99 H CYS 17 H CYS 17 6.154 0.863 1.331 100 HA CYS 17 HA CYS 17 8.347 0.328 -0.444 101 1HB CYS 17 2HB CYS 17 7.447 -0.372 2.295 102 2HB CYS 17 1HB CYS 17 8.596 -1.496 1.571 103 H LYS 18 H LYS 18 8.275 -1.069 -2.152 104 HA LYS 18 HA LYS 18 6.333 -3.304 -2.192 105 1HB LYS 18 2HB LYS 18 7.884 -1.663 -4.069 106 2HB LYS 18 1HB LYS 18 7.857 -3.370 -4.512 107 1HG LYS 18 2HG LYS 18 5.230 -2.847 -3.742 108 2HG LYS 18 1HG LYS 18 5.707 -1.395 -4.622 109 1HD LYS 18 2HD LYS 18 6.538 -3.949 -5.870 110 2HD LYS 18 1HD LYS 18 4.798 -3.665 -5.829 111 1HE LYS 18 2HE LYS 18 4.930 -1.797 -7.211 112 2HE LYS 18 1HE LYS 18 6.591 -1.420 -6.712 113 1HZ LYS 18 1HZ LYS 18 5.787 -3.809 -8.293 114 2HZ LYS 18 2HZ LYS 18 7.373 -3.384 -7.849 115 3HZ LYS 18 3HZ LYS 18 6.506 -2.416 -8.942 116 H SER 19 H SER 19 9.161 -3.107 -0.650 117 HA SER 19 HA SER 19 10.828 -5.183 -1.706 118 1HB SER 19 2HB SER 19 10.377 -4.012 1.050 119 2HB SER 19 1HB SER 19 11.642 -5.194 0.721 120 HG SER 19 HG SER 19 12.752 -3.704 -0.277 121 H SER 20 H SER 20 8.124 -5.258 0.629 122 HA SER 20 HA SER 20 8.261 -8.253 0.629 123 1HB SER 20 2HB SER 20 7.763 -6.158 2.600 124 2HB SER 20 1HB SER 20 6.477 -7.361 2.599 125 HG SER 20 HG SER 20 7.842 -8.820 3.304 126 H ASN 21 H ASN 21 7.021 -6.520 -1.508 127 HA ASN 21 HA ASN 21 5.045 -6.419 -2.785 128 1HB ASN 21 2HB ASN 21 4.870 -9.036 -1.276 129 2HB ASN 21 1HB ASN 21 3.664 -8.581 -2.480 130 1HD2 ASN 21 1HD2 ASN 21 6.671 -10.124 -2.105 131 2HD2 ASN 21 2HD2 ASN 21 7.172 -10.077 -3.726 132 H LEU 22 H LEU 22 4.562 -4.538 -1.167 133 HA LEU 22 HA LEU 22 2.037 -5.164 0.335 134 1HB LEU 22 2HB LEU 22 4.430 -3.429 0.918 135 2HB LEU 22 1HB LEU 22 2.875 -3.063 1.665 136 HG LEU 22 HG LEU 22 4.120 -5.819 1.778 137 1HD1 LEU 22 1HD1 LEU 22 4.806 -5.182 4.103 138 2HD1 LEU 22 2HD1 LEU 22 4.364 -3.515 3.736 139 3HD1 LEU 22 3HD1 LEU 22 5.679 -4.293 2.855 140 1HD2 LEU 22 1HD2 LEU 22 2.591 -5.830 3.865 141 2HD2 LEU 22 2HD2 LEU 22 1.807 -5.918 2.288 142 3HD2 LEU 22 3HD2 LEU 22 1.849 -4.390 3.167 143 H VAL 23 H VAL 23 0.331 -4.285 -0.745 144 HA VAL 23 HA VAL 23 0.730 -1.725 -2.262 145 HB VAL 23 HB VAL 23 -1.495 -3.769 -2.540 146 1HG1 VAL 23 1HG1 VAL 23 -1.450 -2.741 -4.907 147 2HG1 VAL 23 2HG1 VAL 23 -0.467 -1.463 -4.193 148 3HG1 VAL 23 3HG1 VAL 23 -2.106 -1.747 -3.607 149 1HG2 VAL 23 1HG2 VAL 23 -0.117 -4.495 -4.593 150 2HG2 VAL 23 2HG2 VAL 23 0.471 -5.031 -3.020 151 3HG2 VAL 23 3HG2 VAL 23 1.241 -3.666 -3.831 152 H CYS 24 H CYS 24 -1.225 -0.258 -2.208 153 HA CYS 24 HA CYS 24 -2.232 -0.008 0.551 154 1HB CYS 24 2HB CYS 24 -1.875 1.637 -1.854 155 2HB CYS 24 1HB CYS 24 -3.393 1.967 -1.020 156 H SER 25 H SER 25 -4.329 -0.438 1.192 157 HA SER 25 HA SER 25 -6.033 -2.076 -0.495 158 1HB SER 25 2HB SER 25 -5.699 -2.034 2.073 159 2HB SER 25 1HB SER 25 -6.806 -0.665 2.065 160 HG SER 25 HG SER 25 -8.147 -2.344 2.240 161 H ARG 26 H ARG 26 -8.413 -1.464 -0.794 162 HA ARG 26 HA ARG 26 -8.576 1.278 -1.933 163 1HB ARG 26 2HB ARG 26 -9.991 -1.350 -2.233 164 2HB ARG 26 1HB ARG 26 -10.854 0.120 -2.687 165 1HG ARG 26 2HG ARG 26 -9.608 0.400 -4.552 166 2HG ARG 26 1HG ARG 26 -8.104 0.083 -3.688 167 1HD ARG 26 2HD ARG 26 -9.235 -2.425 -3.732 168 2HD ARG 26 1HD ARG 26 -9.760 -1.761 -5.292 169 HE ARG 26 HE ARG 26 -7.005 -2.365 -4.547 170 1HH1 ARG 26 2HH1 ARG 26 -8.339 -2.397 -7.325 171 2HH1 ARG 26 1HH1 ARG 26 -7.480 -1.113 -8.108 172 1HH2 ARG 26 1HH2 ARG 26 -6.205 0.195 -5.150 173 2HH2 ARG 26 2HH2 ARG 26 -6.268 0.358 -6.873 174 H LYS 27 H LYS 27 -10.288 -0.832 0.389 175 HA LYS 27 HA LYS 27 -12.143 1.315 1.179 176 1HB LYS 27 2HB LYS 27 -11.607 -1.546 1.997 177 2HB LYS 27 1HB LYS 27 -12.773 -0.545 2.862 178 1HG LYS 27 2HG LYS 27 -14.237 -1.338 1.304 179 2HG LYS 27 1HG LYS 27 -13.535 -0.080 0.287 180 1HD LYS 27 2HD LYS 27 -12.469 -1.582 -1.040 181 2HD LYS 27 1HD LYS 27 -11.975 -2.577 0.330 182 1HE LYS 27 2HE LYS 27 -14.885 -2.575 -0.363 183 2HE LYS 27 1HE LYS 27 -13.786 -3.460 -1.439 184 1HZ LYS 27 1HZ LYS 27 -13.886 -3.733 1.522 185 2HZ LYS 27 2HZ LYS 27 -12.845 -4.580 0.479 186 3HZ LYS 27 3HZ LYS 27 -14.520 -4.851 0.416 187 H HIS 28 H HIS 28 -9.232 -0.258 2.449 188 HA HIS 28 HA HIS 28 -9.342 1.338 4.953 189 1HB HIS 28 2HB HIS 28 -7.413 -0.766 3.914 190 2HB HIS 28 1HB HIS 28 -7.398 -0.094 5.542 191 HD1 HIS 28 HD1 HIS 28 -8.014 -3.154 4.689 192 HD2 HIS 28 HD2 HIS 28 -10.802 -0.283 5.857 193 HE1 HIS 28 HE1 HIS 28 -10.040 -4.422 5.527 194 H ALA 29 H ALA 29 -7.554 1.151 1.916 195 HA ALA 29 HA ALA 29 -6.049 2.665 0.918 196 1HB ALA 29 1HB ALA 29 -7.799 4.184 2.247 197 2HB ALA 29 2HB ALA 29 -6.376 4.885 1.477 198 3HB ALA 29 3HB ALA 29 -6.369 4.558 3.209 199 H TRP 30 H TRP 30 -5.472 1.051 3.755 200 HA TRP 30 HA TRP 30 -2.867 2.321 4.362 201 1HB TRP 30 2HB TRP 30 -2.970 1.062 6.361 202 2HB TRP 30 1HB TRP 30 -4.652 1.460 6.039 203 HD1 TRP 30 HD1 TRP 30 -5.224 -0.753 3.817 204 HE1 TRP 30 HE1 TRP 30 -5.413 -3.224 4.517 205 HE3 TRP 30 HE3 TRP 30 -2.721 -0.600 8.262 206 HZ2 TRP 30 HZ2 TRP 30 -4.607 -4.916 6.680 207 HZ3 TRP 30 HZ3 TRP 30 -2.446 -2.653 9.621 208 HH2 TRP 30 HH2 TRP 30 -3.385 -4.809 8.838 209 H CYS 31 H CYS 31 -0.921 0.866 4.523 210 HA CYS 31 HA CYS 31 -0.578 -0.664 2.067 211 1HB CYS 31 2HB CYS 31 1.104 -0.049 4.502 212 2HB CYS 31 1HB CYS 31 1.705 -1.058 3.188 213 H LYS 32 H LYS 32 -1.073 -2.790 1.833 214 HA LYS 32 HA LYS 32 -0.740 -4.658 4.123 215 1HB LYS 32 2HB LYS 32 -3.052 -5.500 3.761 216 2HB LYS 32 1HB LYS 32 -3.048 -3.801 4.229 217 1HG LYS 32 2HG LYS 32 -3.578 -3.069 2.061 218 2HG LYS 32 1HG LYS 32 -3.024 -4.569 1.317 219 1HD LYS 32 2HD LYS 32 -5.014 -5.456 3.009 220 2HD LYS 32 1HD LYS 32 -5.651 -3.907 2.458 221 1HE LYS 32 2HE LYS 32 -6.359 -5.109 0.640 222 2HE LYS 32 1HE LYS 32 -4.671 -4.974 0.110 223 1HZ LYS 32 1HZ LYS 32 -5.379 -7.295 0.192 224 2HZ LYS 32 2HZ LYS 32 -5.773 -7.133 1.836 225 3HZ LYS 32 3HZ LYS 32 -4.156 -6.996 1.329 226 H TYR 33 H TYR 33 -1.410 -6.992 3.182 227 HA TYR 33 HA TYR 33 0.240 -7.372 0.762 228 1HB TYR 33 2HB TYR 33 -1.179 -9.241 2.692 229 2HB TYR 33 1HB TYR 33 -0.144 -9.790 1.374 230 HD1 TYR 33 HD1 TYR 33 2.282 -8.960 1.307 231 HD2 TYR 33 HD2 TYR 33 -0.249 -8.542 4.755 232 HE1 TYR 33 HE1 TYR 33 4.280 -8.604 2.732 233 HE2 TYR 33 HE2 TYR 33 1.750 -8.187 6.178 234 HH TYR 33 HH TYR 33 4.497 -9.017 5.731 235 H GLU 34 H GLU 34 -1.223 -6.373 -0.806 236 HA GLU 34 HA GLU 34 -3.886 -7.608 -1.215 237 1HB GLU 34 2HB GLU 34 -2.977 -5.085 -1.424 238 2HB GLU 34 1HB GLU 34 -2.683 -5.609 -3.082 239 1HG GLU 34 2HG GLU 34 -5.241 -6.586 -2.469 240 2HG GLU 34 1HG GLU 34 -5.202 -4.961 -1.783 241 H ILE 35 H ILE 35 -4.455 -8.661 -3.215 242 HA ILE 35 HA ILE 35 -2.411 -10.367 -4.345 243 HB ILE 35 HB ILE 35 -4.305 -11.068 -5.822 244 1HG1 ILE 35 2HG1 ILE 35 -6.390 -9.567 -4.512 245 2HG1 ILE 35 1HG1 ILE 35 -5.243 -8.449 -5.246 246 1HG2 ILE 35 1HG2 ILE 35 -5.712 -11.936 -4.037 247 2HG2 ILE 35 2HG2 ILE 35 -5.120 -10.700 -2.927 248 3HG2 ILE 35 3HG2 ILE 35 -4.030 -11.959 -3.506 249 1HD1 ILE 35 1HD1 ILE 35 -6.961 -9.031 -6.880 250 2HD1 ILE 35 2HD1 ILE 35 -6.645 -10.749 -6.637 251 3HD1 ILE 35 3HD1 ILE 35 -5.419 -9.724 -7.382 252 1HN NH2 36 1HN NH2 36 -2.551 -6.932 -6.476 253 2HN NH2 36 2HN NH2 36 -2.747 -7.174 -4.727
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