NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11733 | 1ry3 | 6069 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET -18 1H MET -18 -4.636 -13.323 -16.714 2 2H MET -18 2H MET -18 -5.549 -12.295 -15.687 3 3H MET -18 3H MET -18 -6.328 -13.551 -16.559 4 HA MET -18 HA MET -18 -4.987 -15.160 -15.338 5 1HB MET -18 1HB MET -18 -3.444 -13.018 -14.744 6 2HB MET -18 2HB MET -18 -4.416 -13.106 -13.281 7 1HG MET -18 1HG MET -18 -3.749 -15.487 -13.054 8 2HG MET -18 2HG MET -18 -2.667 -15.267 -14.428 9 1HE MET -18 1HE MET -18 -1.016 -16.262 -13.202 10 2HE MET -18 2HE MET -18 -0.868 -16.059 -11.456 11 3HE MET -18 3HE MET -18 0.258 -15.239 -12.538 12 H ASN -17 H ASN -17 -6.958 -16.033 -14.917 13 HA ASN -17 HA ASN -17 -8.846 -14.632 -13.209 14 1HB ASN -17 1HB ASN -17 -9.351 -16.109 -15.331 15 2HB ASN -17 2HB ASN -17 -9.280 -17.434 -14.172 16 1HD2 ASN -17 1HD2 ASN -17 -11.442 -15.915 -15.769 17 2HD2 ASN -17 2HD2 ASN -17 -12.690 -15.676 -14.598 18 H SER -16 H SER -16 -6.738 -14.992 -11.681 19 HA SER -16 HA SER -16 -6.912 -17.511 -10.246 20 1HB SER -16 1HB SER -16 -4.806 -15.887 -10.758 21 2HB SER -16 2HB SER -16 -5.248 -15.324 -9.146 22 HG SER -16 HG SER -16 -3.752 -17.298 -9.551 23 H VAL -15 H VAL -15 -7.317 -17.638 -7.970 24 HA VAL -15 HA VAL -15 -9.322 -15.693 -7.115 25 HB VAL -15 HB VAL -15 -8.603 -18.318 -5.808 26 1HG1 VAL -15 1HG1 VAL -15 -10.648 -16.224 -5.316 27 2HG1 VAL -15 2HG1 VAL -15 -9.768 -17.240 -4.174 28 3HG1 VAL -15 3HG1 VAL -15 -11.122 -17.907 -5.086 29 1HG2 VAL -15 1HG2 VAL -15 -9.975 -19.444 -7.190 30 2HG2 VAL -15 2HG2 VAL -15 -9.669 -18.102 -8.293 31 3HG2 VAL -15 3HG2 VAL -15 -11.126 -18.112 -7.300 32 H LYS -14 H LYS -14 -6.113 -16.727 -6.430 33 HA LYS -14 HA LYS -14 -6.023 -15.485 -3.817 34 1HB LYS -14 1HB LYS -14 -4.631 -17.447 -4.208 35 2HB LYS -14 2HB LYS -14 -3.844 -16.653 -5.565 36 1HG LYS -14 1HG LYS -14 -2.429 -15.532 -4.245 37 2HG LYS -14 2HG LYS -14 -3.677 -15.161 -3.055 38 1HD LYS -14 1HD LYS -14 -2.802 -17.981 -3.219 39 2HD LYS -14 2HD LYS -14 -1.631 -16.829 -2.574 40 1HE LYS -14 1HE LYS -14 -3.827 -16.064 -1.224 41 2HE LYS -14 2HE LYS -14 -4.191 -17.775 -1.446 42 1HZ LYS -14 1HZ LYS -14 -3.000 -17.376 0.618 43 2HZ LYS -14 2HZ LYS -14 -1.711 -16.685 -0.230 44 3HZ LYS -14 3HZ LYS -14 -2.072 -18.325 -0.431 45 H GLU -13 H GLU -13 -5.229 -14.757 -7.131 46 HA GLU -13 HA GLU -13 -3.800 -12.358 -6.543 47 1HB GLU -13 1HB GLU -13 -3.333 -13.620 -8.591 48 2HB GLU -13 2HB GLU -13 -4.982 -13.350 -9.137 49 1HG GLU -13 1HG GLU -13 -4.082 -11.644 -10.264 50 2HG GLU -13 2HG GLU -13 -4.172 -10.807 -8.715 51 H LEU -12 H LEU -12 -7.039 -13.227 -7.555 52 HA LEU -12 HA LEU -12 -7.950 -10.522 -7.775 53 1HB LEU -12 1HB LEU -12 -9.183 -13.216 -7.937 54 2HB LEU -12 2HB LEU -12 -10.245 -11.876 -7.556 55 HG LEU -12 HG LEU -12 -10.157 -12.452 -9.978 56 1HD1 LEU -12 1HD1 LEU -12 -10.863 -10.246 -9.273 57 2HD1 LEU -12 2HD1 LEU -12 -9.918 -10.136 -10.759 58 3HD1 LEU -12 3HD1 LEU -12 -9.185 -9.704 -9.213 59 1HD2 LEU -12 1HD2 LEU -12 -7.288 -11.667 -9.598 60 2HD2 LEU -12 2HD2 LEU -12 -8.085 -11.515 -11.164 61 3HD2 LEU -12 3HD2 LEU -12 -7.953 -13.095 -10.392 62 H ASN -11 H ASN -11 -7.557 -12.747 -5.185 63 HA ASN -11 HA ASN -11 -9.528 -11.766 -3.428 64 1HB ASN -11 1HB ASN -11 -7.429 -13.698 -3.339 65 2HB ASN -11 2HB ASN -11 -7.301 -12.675 -1.913 66 1HD2 ASN -11 1HD2 ASN -11 -8.932 -15.241 -3.387 67 2HD2 ASN -11 2HD2 ASN -11 -10.164 -15.462 -2.197 68 H VAL -10 H VAL -10 -6.240 -10.813 -4.081 69 HA VAL -10 HA VAL -10 -6.026 -8.969 -1.914 70 HB VAL -10 HB VAL -10 -4.412 -8.991 -4.467 71 1HG1 VAL -10 1HG1 VAL -10 -2.732 -8.166 -2.529 72 2HG1 VAL -10 2HG1 VAL -10 -4.254 -7.521 -1.917 73 3HG1 VAL -10 3HG1 VAL -10 -3.690 -7.071 -3.526 74 1HG2 VAL -10 1HG2 VAL -10 -3.181 -10.724 -3.732 75 2HG2 VAL -10 2HG2 VAL -10 -4.607 -11.099 -2.765 76 3HG2 VAL -10 3HG2 VAL -10 -3.267 -10.204 -2.049 77 H LYS -9 H LYS -9 -6.608 -8.595 -5.403 78 HA LYS -9 HA LYS -9 -6.839 -5.803 -5.422 79 1HB LYS -9 1HB LYS -9 -7.869 -7.979 -7.215 80 2HB LYS -9 2HB LYS -9 -8.324 -6.305 -7.500 81 1HG LYS -9 1HG LYS -9 -6.295 -5.748 -8.286 82 2HG LYS -9 2HG LYS -9 -5.447 -6.774 -7.127 83 1HD LYS -9 1HD LYS -9 -6.026 -8.748 -8.450 84 2HD LYS -9 2HD LYS -9 -6.887 -7.727 -9.603 85 1HE LYS -9 1HE LYS -9 -4.421 -6.534 -9.472 86 2HE LYS -9 2HE LYS -9 -4.025 -8.245 -9.319 87 1HZ LYS -9 1HZ LYS -9 -4.204 -7.186 -11.650 88 2HZ LYS -9 2HZ LYS -9 -5.872 -7.352 -11.429 89 3HZ LYS -9 3HZ LYS -9 -4.875 -8.717 -11.390 90 H GLU -8 H GLU -8 -9.218 -8.339 -4.834 91 HA GLU -8 HA GLU -8 -11.524 -6.769 -4.837 92 1HB GLU -8 1HB GLU -8 -10.801 -9.443 -4.096 93 2HB GLU -8 2HB GLU -8 -11.862 -8.765 -2.870 94 1HG GLU -8 1HG GLU -8 -12.872 -8.145 -5.477 95 2HG GLU -8 2HG GLU -8 -12.569 -9.876 -5.343 96 H MET -7 H MET -7 -9.864 -7.989 -1.976 97 HA MET -7 HA MET -7 -11.132 -6.454 -0.072 98 1HB MET -7 1HB MET -7 -9.208 -6.862 1.374 99 2HB MET -7 2HB MET -7 -9.630 -8.312 0.474 100 1HG MET -7 1HG MET -7 -7.719 -8.275 -0.759 101 2HG MET -7 2HG MET -7 -7.564 -6.522 -0.674 102 1HE MET -7 1HE MET -7 -7.112 -5.601 2.434 103 2HE MET -7 2HE MET -7 -6.483 -5.243 0.825 104 3HE MET -7 3HE MET -7 -5.384 -5.743 2.110 105 H LYS -6 H LYS -6 -8.544 -5.564 -2.240 106 HA LYS -6 HA LYS -6 -7.563 -3.277 -1.023 107 1HB LYS -6 1HB LYS -6 -7.315 -4.524 -3.532 108 2HB LYS -6 2HB LYS -6 -7.801 -2.868 -3.871 109 1HG LYS -6 1HG LYS -6 -5.924 -2.004 -2.659 110 2HG LYS -6 2HG LYS -6 -5.485 -3.620 -2.103 111 1HD LYS -6 1HD LYS -6 -5.492 -4.037 -4.758 112 2HD LYS -6 2HD LYS -6 -5.057 -2.327 -4.726 113 1HE LYS -6 1HE LYS -6 -3.104 -2.725 -3.511 114 2HE LYS -6 2HE LYS -6 -3.650 -4.314 -2.977 115 1HZ LYS -6 1HZ LYS -6 -1.906 -4.329 -4.740 116 2HZ LYS -6 2HZ LYS -6 -3.040 -3.668 -5.807 117 3HZ LYS -6 3HZ LYS -6 -3.304 -5.197 -5.133 118 H GLN -5 H GLN -5 -9.993 -3.274 -3.645 119 HA GLN -5 HA GLN -5 -10.848 -0.628 -2.889 120 1HB GLN -5 1HB GLN -5 -11.521 -2.534 -5.080 121 2HB GLN -5 2HB GLN -5 -12.531 -1.127 -4.794 122 1HG GLN -5 1HG GLN -5 -10.919 -0.665 -6.535 123 2HG GLN -5 2HG GLN -5 -10.589 0.329 -5.117 124 1HE2 GLN -5 1HE2 GLN -5 -9.765 -2.966 -6.162 125 2HE2 GLN -5 2HE2 GLN -5 -8.070 -2.820 -5.861 126 H LEU -4 H LEU -4 -11.379 -3.192 -1.279 127 HA LEU -4 HA LEU -4 -14.274 -3.246 -1.203 128 1HB LEU -4 1HB LEU -4 -12.382 -5.165 -0.761 129 2HB LEU -4 2HB LEU -4 -12.815 -4.710 0.875 130 HG LEU -4 HG LEU -4 -14.990 -5.345 -1.073 131 1HD1 LEU -4 1HD1 LEU -4 -13.158 -7.315 0.256 132 2HD1 LEU -4 2HD1 LEU -4 -13.663 -7.240 -1.432 133 3HD1 LEU -4 3HD1 LEU -4 -14.814 -7.730 -0.188 134 1HD2 LEU -4 1HD2 LEU -4 -14.615 -5.161 1.852 135 2HD2 LEU -4 2HD2 LEU -4 -15.701 -6.424 1.272 136 3HD2 LEU -4 3HD2 LEU -4 -16.007 -4.738 0.854 137 H HIS -3 H HIS -3 -11.644 -2.676 1.064 138 HA HIS -3 HA HIS -3 -13.220 -1.731 3.182 139 1HB HIS -3 1HB HIS -3 -10.457 -2.105 2.664 140 2HB HIS -3 2HB HIS -3 -10.657 -0.450 3.229 141 HD1 HIS -3 HD1 HIS -3 -9.290 -2.829 4.840 142 HD2 HIS -3 HD2 HIS -3 -13.140 -1.368 5.395 143 HE1 HIS -3 HE1 HIS -3 -9.908 -3.444 7.199 144 HE2 HIS -3 HE2 HIS -3 -12.208 -2.474 7.540 145 H GLY -2 H GLY -2 -12.270 -0.235 0.247 146 1HA GLY -2 1HA GLY -2 -13.614 1.741 -0.360 147 2HA GLY -2 2HA GLY -2 -13.290 2.348 1.257 148 H GLY -1 H GLY -1 -12.256 4.221 0.716 149 1HA GLY -1 1HA GLY -1 -9.498 4.006 -0.012 150 2HA GLY -1 2HA GLY -1 -10.461 4.689 -1.313 151 H VAL 1 H VAL 1 -8.357 6.017 0.076 152 HA VAL 1 HA VAL 1 -9.854 8.097 1.532 153 HB VAL 1 HB VAL 1 -7.613 8.762 2.462 154 1HG1 VAL 1 1HG1 VAL 1 -8.297 5.929 3.185 155 2HG1 VAL 1 2HG1 VAL 1 -9.353 7.280 3.594 156 3HG1 VAL 1 3HG1 VAL 1 -7.709 7.222 4.229 157 1HG2 VAL 1 1HG2 VAL 1 -5.707 7.554 2.114 158 2HG2 VAL 1 2HG2 VAL 1 -6.494 7.309 0.555 159 3HG2 VAL 1 3HG2 VAL 1 -6.581 6.057 1.794 160 H ASN 2 H ASN 2 -8.996 10.318 1.284 161 HA ASN 2 HA ASN 2 -7.652 10.810 -1.270 162 1HB ASN 2 1HB ASN 2 -10.329 10.948 -1.232 163 2HB ASN 2 2HB ASN 2 -9.967 12.568 -0.645 164 1HD2 ASN 2 1HD2 ASN 2 -10.555 10.793 -3.330 165 2HD2 ASN 2 2HD2 ASN 2 -9.805 11.798 -4.518 166 H TYR 3 H TYR 3 -5.910 11.299 0.237 167 HA TYR 3 HA TYR 3 -4.544 12.767 1.305 168 1HB TYR 3 1HB TYR 3 -6.053 14.314 -0.493 169 2HB TYR 3 2HB TYR 3 -6.062 15.212 1.020 170 HD1 TYR 3 HD1 TYR 3 -4.234 16.542 1.591 171 HD2 TYR 3 HD2 TYR 3 -3.754 13.516 -1.362 172 HE1 TYR 3 HE1 TYR 3 -1.974 17.381 1.107 173 HE2 TYR 3 HE2 TYR 3 -1.492 14.346 -1.853 174 HH TYR 3 HH TYR 3 -0.377 17.049 -1.362 175 H GLY 4 H GLY 4 -5.533 11.514 3.175 176 1HA GLY 4 1HA GLY 4 -7.300 13.110 4.865 177 2HA GLY 4 2HA GLY 4 -6.785 11.457 5.167 178 H ASN 5 H ASN 5 -5.071 14.542 4.656 179 HA ASN 5 HA ASN 5 -3.296 13.876 6.868 180 1HB ASN 5 1HB ASN 5 -3.224 16.068 4.792 181 2HB ASN 5 2HB ASN 5 -2.057 15.937 6.103 182 1HD2 ASN 5 1HD2 ASN 5 -2.972 14.857 3.015 183 2HD2 ASN 5 2HD2 ASN 5 -1.719 13.689 2.792 184 H GLY 6 H GLY 6 -6.051 15.802 6.245 185 1HA GLY 6 1HA GLY 6 -5.500 17.602 8.484 186 2HA GLY 6 2HA GLY 6 -6.836 17.739 7.351 187 H VAL 7 H VAL 7 -5.672 15.196 9.567 188 HA VAL 7 HA VAL 7 -8.398 14.555 10.300 189 HB VAL 7 HB VAL 7 -5.923 13.402 11.570 190 1HG1 VAL 7 1HG1 VAL 7 -8.801 12.733 11.468 191 2HG1 VAL 7 2HG1 VAL 7 -7.624 12.500 12.761 192 3HG1 VAL 7 3HG1 VAL 7 -7.669 11.382 11.398 193 1HG2 VAL 7 1HG2 VAL 7 -6.957 13.028 8.832 194 2HG2 VAL 7 2HG2 VAL 7 -6.546 11.557 9.713 195 3HG2 VAL 7 3HG2 VAL 7 -5.328 12.809 9.471 196 H SER 8 H SER 8 -9.024 14.361 12.603 197 HA SER 8 HA SER 8 -7.693 16.331 14.329 198 1HB SER 8 1HB SER 8 -10.650 16.159 13.726 199 2HB SER 8 2HB SER 8 -9.990 17.061 15.091 200 HG SER 8 HG SER 8 -10.155 18.509 13.452 201 H CYS 9 H CYS 9 -8.872 16.203 16.608 202 HA CYS 9 HA CYS 9 -8.418 13.515 17.528 203 1HB CYS 9 1HB CYS 9 -9.567 15.599 19.333 204 2HB CYS 9 2HB CYS 9 -8.341 14.384 19.666 205 H SER 10 H SER 10 -9.922 11.983 17.513 206 HA SER 10 HA SER 10 -12.561 12.475 18.525 207 1HB SER 10 1HB SER 10 -13.613 11.482 16.376 208 2HB SER 10 2HB SER 10 -13.176 13.190 16.385 209 HG SER 10 HG SER 10 -12.485 11.924 14.503 210 H LYS 11 H LYS 11 -12.735 10.814 19.849 211 HA LYS 11 HA LYS 11 -12.847 8.707 20.665 212 1HB LYS 11 1HB LYS 11 -13.994 8.497 18.347 213 2HB LYS 11 2HB LYS 11 -12.551 7.591 17.913 214 1HG LYS 11 1HG LYS 11 -13.412 6.551 20.375 215 2HG LYS 11 2HG LYS 11 -14.859 6.739 19.382 216 1HD LYS 11 1HD LYS 11 -14.238 5.114 17.951 217 2HD LYS 11 2HD LYS 11 -12.541 5.597 17.983 218 1HE LYS 11 1HE LYS 11 -13.558 4.421 20.479 219 2HE LYS 11 2HE LYS 11 -13.515 3.325 19.099 220 1HZ LYS 11 1HZ LYS 11 -11.117 4.448 18.903 221 2HZ LYS 11 2HZ LYS 11 -11.406 3.036 19.787 222 3HZ LYS 11 3HZ LYS 11 -11.325 4.527 20.581 223 H THR 12 H THR 12 -10.178 9.692 18.802 224 HA THR 12 HA THR 12 -8.460 7.940 20.291 225 HB THR 12 HB THR 12 -9.096 7.538 17.467 226 HG1 THR 12 HG1 THR 12 -9.200 5.675 18.396 227 1HG2 THR 12 1HG2 THR 12 -6.199 7.433 18.274 228 2HG2 THR 12 2HG2 THR 12 -6.905 8.576 17.131 229 3HG2 THR 12 3HG2 THR 12 -6.884 6.853 16.757 230 H LYS 13 H LYS 13 -6.128 8.516 19.936 231 HA LYS 13 HA LYS 13 -5.682 11.218 20.336 232 1HB LYS 13 1HB LYS 13 -3.286 10.711 19.856 233 2HB LYS 13 2HB LYS 13 -4.032 9.603 20.999 234 1HG LYS 13 1HG LYS 13 -4.460 8.312 18.646 235 2HG LYS 13 2HG LYS 13 -2.912 9.102 18.342 236 1HD LYS 13 1HD LYS 13 -3.269 7.705 20.939 237 2HD LYS 13 2HD LYS 13 -3.078 6.714 19.492 238 1HE LYS 13 1HE LYS 13 -1.160 8.872 19.537 239 2HE LYS 13 2HE LYS 13 -1.057 7.903 21.007 240 1HZ LYS 13 1HZ LYS 13 -1.254 6.420 18.516 241 2HZ LYS 13 2HZ LYS 13 -0.305 6.121 19.884 242 3HZ LYS 13 3HZ LYS 13 0.188 7.274 18.750 243 H CYS 14 H CYS 14 -4.872 12.892 19.054 244 HA CYS 14 HA CYS 14 -5.425 12.572 16.187 245 1HB CYS 14 1HB CYS 14 -5.292 15.201 16.343 246 2HB CYS 14 2HB CYS 14 -6.754 14.340 16.799 247 H SER 15 H SER 15 -3.079 11.491 16.830 248 HA SER 15 HA SER 15 -1.136 13.431 15.779 249 1HB SER 15 1HB SER 15 -0.364 11.320 17.788 250 2HB SER 15 2HB SER 15 0.558 12.733 17.276 251 HG SER 15 HG SER 15 -0.976 12.571 19.359 252 H VAL 16 H VAL 16 0.442 12.593 14.395 253 HA VAL 16 HA VAL 16 -0.054 9.833 13.482 254 HB VAL 16 HB VAL 16 0.894 12.128 11.763 255 1HG1 VAL 16 1HG1 VAL 16 0.034 9.313 11.113 256 2HG1 VAL 16 2HG1 VAL 16 1.647 10.001 10.934 257 3HG1 VAL 16 3HG1 VAL 16 0.328 10.571 9.912 258 1HG2 VAL 16 1HG2 VAL 16 -1.758 10.981 11.251 259 2HG2 VAL 16 2HG2 VAL 16 -1.220 12.660 11.218 260 3HG2 VAL 16 3HG2 VAL 16 -1.628 11.894 12.753 261 H ASN 17 H ASN 17 1.761 8.685 12.611 262 HA ASN 17 HA ASN 17 4.307 9.551 13.799 263 1HB ASN 17 1HB ASN 17 3.138 7.300 14.414 264 2HB ASN 17 2HB ASN 17 3.765 6.749 12.863 265 1HD2 ASN 17 1HD2 ASN 17 4.845 5.231 14.397 266 2HD2 ASN 17 2HD2 ASN 17 6.384 5.702 15.025 267 H TRP 18 H TRP 18 4.158 10.929 11.692 268 HA TRP 18 HA TRP 18 4.824 9.590 9.261 269 1HB TRP 18 1HB TRP 18 3.850 12.103 9.929 270 2HB TRP 18 2HB TRP 18 5.464 12.426 9.302 271 HD1 TRP 18 HD1 TRP 18 2.602 10.064 8.119 272 HE1 TRP 18 HE1 TRP 18 2.287 10.424 5.590 273 HE3 TRP 18 HE3 TRP 18 6.149 13.667 7.362 274 HZ2 TRP 18 HZ2 TRP 18 3.396 12.023 3.544 275 HZ3 TRP 18 HZ3 TRP 18 6.459 14.559 5.089 276 HH2 TRP 18 HH2 TRP 18 5.110 13.752 3.221 277 H GLY 19 H GLY 19 6.658 9.721 11.858 278 1HA GLY 19 1HA GLY 19 9.124 10.407 10.391 279 2HA GLY 19 2HA GLY 19 8.950 10.506 12.138 280 H GLN 20 H GLN 20 8.269 8.324 13.155 281 HA GLN 20 HA GLN 20 10.340 6.502 12.812 282 1HB GLN 20 1HB GLN 20 8.026 6.738 14.462 283 2HB GLN 20 2HB GLN 20 8.061 5.103 13.818 284 1HG GLN 20 1HG GLN 20 9.226 5.000 15.843 285 2HG GLN 20 2HG GLN 20 10.468 4.998 14.592 286 1HE2 GLN 20 1HE2 GLN 20 8.859 6.937 17.021 287 2HE2 GLN 20 2HE2 GLN 20 10.108 8.120 17.182 288 H ALA 21 H ALA 21 6.908 5.883 11.934 289 HA ALA 21 HA ALA 21 7.616 3.692 10.337 290 1HB ALA 21 1HB ALA 21 5.414 3.344 9.921 291 2HB ALA 21 2HB ALA 21 5.063 5.068 9.781 292 3HB ALA 21 3HB ALA 21 5.299 4.341 11.372 293 H PHE 22 H PHE 22 8.243 6.748 9.804 294 HA PHE 22 HA PHE 22 7.750 6.971 7.003 295 1HB PHE 22 1HB PHE 22 8.343 8.823 8.862 296 2HB PHE 22 2HB PHE 22 9.966 8.521 8.254 297 HD1 PHE 22 HD1 PHE 22 6.526 9.235 7.004 298 HD2 PHE 22 HD2 PHE 22 10.716 9.746 6.462 299 HE1 PHE 22 HE1 PHE 22 6.093 10.740 5.106 300 HE2 PHE 22 HE2 PHE 22 10.291 11.253 4.564 301 HZ PHE 22 HZ PHE 22 7.977 11.752 3.884 302 H GLN 23 H GLN 23 10.344 6.044 9.137 303 HA GLN 23 HA GLN 23 12.228 5.434 7.058 304 1HB GLN 23 1HB GLN 23 12.146 5.420 9.988 305 2HB GLN 23 2HB GLN 23 13.026 4.046 9.324 306 1HG GLN 23 1HG GLN 23 14.530 5.485 8.154 307 2HG GLN 23 2HG GLN 23 13.573 6.905 8.569 308 1HE2 GLN 23 1HE2 GLN 23 14.624 8.093 9.982 309 2HE2 GLN 23 2HE2 GLN 23 15.502 7.513 11.352 310 H GLU 24 H GLU 24 9.574 3.883 8.603 311 HA GLU 24 HA GLU 24 10.271 1.182 8.221 312 1HB GLU 24 1HB GLU 24 7.734 2.656 8.732 313 2HB GLU 24 2HB GLU 24 7.640 0.983 8.207 314 1HG GLU 24 1HG GLU 24 9.342 0.570 10.130 315 2HG GLU 24 2HG GLU 24 8.743 2.114 10.734 316 H ARG 25 H ARG 25 8.181 3.349 6.334 317 HA ARG 25 HA ARG 25 7.654 1.551 4.248 318 1HB ARG 25 1HB ARG 25 7.456 4.506 4.592 319 2HB ARG 25 2HB ARG 25 7.328 3.849 2.966 320 1HG ARG 25 1HG ARG 25 5.533 2.307 3.906 321 2HG ARG 25 2HG ARG 25 5.540 3.358 5.323 322 1HD ARG 25 1HD ARG 25 4.455 5.006 4.253 323 2HD ARG 25 2HD ARG 25 5.388 4.789 2.773 324 HE ARG 25 HE ARG 25 3.729 3.430 1.959 325 1HH1 ARG 25 1HH1 ARG 25 3.236 3.907 5.382 326 2HH1 ARG 25 2HH1 ARG 25 1.672 3.164 5.387 327 1HH2 ARG 25 1HH2 ARG 25 1.673 2.452 1.965 328 2HH2 ARG 25 2HH2 ARG 25 0.785 2.337 3.448 329 H TYR 26 H TYR 26 10.348 3.627 4.886 330 HA TYR 26 HA TYR 26 11.446 3.679 2.283 331 1HB TYR 26 1HB TYR 26 12.045 4.884 4.693 332 2HB TYR 26 2HB TYR 26 13.407 3.795 4.452 333 HD1 TYR 26 HD1 TYR 26 15.164 4.419 3.049 334 HD2 TYR 26 HD2 TYR 26 11.441 6.454 2.740 335 HE1 TYR 26 HE1 TYR 26 16.181 6.031 1.495 336 HE2 TYR 26 HE2 TYR 26 12.447 8.071 1.184 337 HH TYR 26 HH TYR 26 14.838 7.737 -0.526 338 H THR 27 H THR 27 11.725 1.454 4.981 339 HA THR 27 HA THR 27 13.831 -0.090 3.777 340 HB THR 27 HB THR 27 12.005 -0.810 6.079 341 HG1 THR 27 HG1 THR 27 14.459 0.585 5.981 342 1HG2 THR 27 1HG2 THR 27 13.555 -2.420 6.739 343 2HG2 THR 27 2HG2 THR 27 14.789 -1.816 5.633 344 3HG2 THR 27 3HG2 THR 27 13.376 -2.662 5.001 345 H ALA 28 H ALA 28 10.343 -0.531 4.294 346 HA ALA 28 HA ALA 28 10.162 -3.052 3.053 347 1HB ALA 28 1HB ALA 28 7.839 -1.207 2.946 348 2HB ALA 28 2HB ALA 28 8.461 -1.662 4.533 349 3HB ALA 28 3HB ALA 28 7.915 -2.907 3.409 350 H GLY 29 H GLY 29 10.145 0.211 1.803 351 1HA GLY 29 1HA GLY 29 9.101 -0.397 -0.770 352 2HA GLY 29 2HA GLY 29 10.008 1.044 -0.337 353 H ILE 30 H ILE 30 12.449 0.275 0.267 354 HA ILE 30 HA ILE 30 13.653 -0.304 -2.189 355 HB ILE 30 HB ILE 30 14.848 -0.614 0.569 356 1HG1 ILE 30 1HG1 ILE 30 14.891 1.735 -1.339 357 2HG1 ILE 30 2HG1 ILE 30 13.933 1.638 0.135 358 1HG2 ILE 30 1HG2 ILE 30 16.138 -1.757 -1.178 359 2HG2 ILE 30 2HG2 ILE 30 17.003 -0.363 -0.529 360 3HG2 ILE 30 3HG2 ILE 30 16.207 -0.255 -2.100 361 1HD1 ILE 30 1HD1 ILE 30 16.290 1.207 1.226 362 2HD1 ILE 30 2HD1 ILE 30 15.709 2.838 0.887 363 3HD1 ILE 30 3HD1 ILE 30 16.845 2.060 -0.215 364 H ASN 31 H ASN 31 12.691 -2.399 0.459 365 HA ASN 31 HA ASN 31 14.105 -4.706 -0.184 366 1HB ASN 31 1HB ASN 31 12.682 -4.335 1.862 367 2HB ASN 31 2HB ASN 31 11.267 -4.637 0.857 368 1HD2 ASN 31 1HD2 ASN 31 14.348 -6.074 1.830 369 2HD2 ASN 31 2HD2 ASN 31 13.789 -7.709 1.817 370 H SER 32 H SER 32 10.789 -3.848 -1.185 371 HA SER 32 HA SER 32 10.457 -6.012 -2.946 372 1HB SER 32 1HB SER 32 8.657 -4.450 -2.010 373 2HB SER 32 2HB SER 32 9.125 -3.324 -3.283 374 HG SER 32 HG SER 32 7.454 -4.577 -4.053 375 H PHE 33 H PHE 33 11.895 -2.850 -3.333 376 HA PHE 33 HA PHE 33 12.013 -2.799 -6.148 377 1HB PHE 33 1HB PHE 33 13.272 -1.314 -3.920 378 2HB PHE 33 2HB PHE 33 14.162 -1.306 -5.440 379 HD1 PHE 33 HD1 PHE 33 12.414 -0.979 -7.541 380 HD2 PHE 33 HD2 PHE 33 11.972 0.532 -3.588 381 HE1 PHE 33 HE1 PHE 33 10.950 0.807 -8.392 382 HE2 PHE 33 HE2 PHE 33 10.506 2.320 -4.430 383 HZ PHE 33 HZ PHE 33 9.994 2.458 -6.835 384 H VAL 34 H VAL 34 14.239 -4.014 -3.685 385 HA VAL 34 HA VAL 34 16.433 -4.593 -5.284 386 HB VAL 34 HB VAL 34 15.450 -6.221 -2.930 387 1HG1 VAL 34 1HG1 VAL 34 17.531 -6.768 -4.671 388 2HG1 VAL 34 2HG1 VAL 34 17.325 -7.424 -3.048 389 3HG1 VAL 34 3HG1 VAL 34 18.320 -5.990 -3.299 390 1HG2 VAL 34 1HG2 VAL 34 15.775 -4.335 -1.777 391 2HG2 VAL 34 2HG2 VAL 34 16.600 -3.550 -3.124 392 3HG2 VAL 34 3HG2 VAL 34 17.496 -4.616 -2.042 393 H SER 35 H SER 35 14.285 -7.203 -4.124 394 HA SER 35 HA SER 35 15.013 -9.054 -5.922 395 1HB SER 35 1HB SER 35 13.144 -10.324 -5.266 396 2HB SER 35 2HB SER 35 13.396 -9.239 -3.900 397 HG SER 35 HG SER 35 11.567 -8.291 -4.325 398 H GLY 36 H GLY 36 12.209 -6.937 -6.348 399 1HA GLY 36 1HA GLY 36 11.229 -7.711 -8.734 400 2HA GLY 36 2HA GLY 36 11.518 -6.003 -8.397 401 H VAL 37 H VAL 37 14.243 -5.977 -8.227 402 HA VAL 37 HA VAL 37 15.024 -6.279 -10.986 403 HB VAL 37 HB VAL 37 16.473 -4.933 -8.703 404 1HG1 VAL 37 1HG1 VAL 37 17.742 -3.843 -10.583 405 2HG1 VAL 37 2HG1 VAL 37 17.017 -5.031 -11.666 406 3HG1 VAL 37 3HG1 VAL 37 18.068 -5.561 -10.353 407 1HG2 VAL 37 1HG2 VAL 37 15.592 -2.895 -9.393 408 2HG2 VAL 37 2HG2 VAL 37 14.214 -3.989 -9.517 409 3HG2 VAL 37 3HG2 VAL 37 15.104 -3.524 -10.967 410 H ALA 38 H ALA 38 16.799 -6.697 -7.944 411 HA ALA 38 HA ALA 38 18.488 -8.684 -9.091 412 1HB ALA 38 1HB ALA 38 18.911 -6.751 -7.273 413 2HB ALA 38 2HB ALA 38 19.951 -8.161 -7.473 414 3HB ALA 38 3HB ALA 38 18.713 -8.149 -6.209 415 H SER 39 H SER 39 17.034 -8.687 -5.925 416 HA SER 39 HA SER 39 17.163 -11.413 -5.528 417 1HB SER 39 1HB SER 39 16.795 -9.257 -4.001 418 2HB SER 39 2HB SER 39 15.169 -9.945 -3.973 419 HG SER 39 HG SER 39 17.228 -10.711 -2.552 420 H GLY 40 H GLY 40 15.202 -10.139 -7.767 421 1HA GLY 40 1HA GLY 40 13.074 -12.115 -7.225 422 2HA GLY 40 2HA GLY 40 12.778 -10.573 -8.013 423 H ALA 41 H ALA 41 14.709 -10.388 -9.881 424 HA ALA 41 HA ALA 41 15.145 -10.985 -12.037 425 1HB ALA 41 1HB ALA 41 15.211 -13.871 -11.434 426 2HB ALA 41 2HB ALA 41 16.272 -12.852 -10.462 427 3HB ALA 41 3HB ALA 41 16.411 -12.845 -12.220 428 H GLY 42 H GLY 42 12.404 -10.733 -11.406 429 1HA GLY 42 1HA GLY 42 11.292 -12.507 -13.462 430 2HA GLY 42 2HA GLY 42 10.503 -12.456 -11.893 431 H SER 43 H SER 43 11.970 -9.660 -13.419 432 HA SER 43 HA SER 43 9.314 -8.425 -13.540 433 1HB SER 43 1HB SER 43 10.529 -6.274 -13.614 434 2HB SER 43 2HB SER 43 10.964 -7.226 -12.194 435 HG SER 43 HG SER 43 12.560 -6.280 -14.099 436 H ILE 44 H ILE 44 11.893 -9.544 -15.509 437 HA ILE 44 HA ILE 44 12.376 -9.378 -17.739 438 HB ILE 44 HB ILE 44 10.457 -10.919 -17.699 439 1HG1 ILE 44 1HG1 ILE 44 9.661 -9.928 -20.175 440 2HG1 ILE 44 2HG1 ILE 44 11.281 -9.273 -19.957 441 1HG2 ILE 44 1HG2 ILE 44 8.251 -9.918 -18.557 442 2HG2 ILE 44 2HG2 ILE 44 8.893 -8.380 -17.983 443 3HG2 ILE 44 3HG2 ILE 44 8.658 -9.714 -16.854 444 1HD1 ILE 44 1HD1 ILE 44 10.708 -12.176 -19.521 445 2HD1 ILE 44 2HD1 ILE 44 12.248 -11.385 -19.855 446 3HD1 ILE 44 3HD1 ILE 44 11.035 -11.527 -21.127 447 H GLY 45 H GLY 45 12.485 -6.864 -16.685 448 1HA GLY 45 1HA GLY 45 11.115 -5.194 -18.700 449 2HA GLY 45 2HA GLY 45 11.585 -4.629 -17.104 450 H ARG 46 H ARG 46 13.665 -6.638 -19.061 451 HA ARG 46 HA ARG 46 15.836 -6.302 -19.701 452 1HB ARG 46 1HB ARG 46 16.052 -4.368 -21.340 453 2HB ARG 46 2HB ARG 46 14.834 -5.580 -21.707 454 1HG ARG 46 1HG ARG 46 13.089 -4.124 -20.870 455 2HG ARG 46 2HG ARG 46 14.292 -2.920 -20.405 456 1HD ARG 46 1HD ARG 46 14.810 -2.413 -22.630 457 2HD ARG 46 2HD ARG 46 14.066 -3.893 -23.233 458 HE ARG 46 HE ARG 46 12.031 -2.837 -23.236 459 1HH1 ARG 46 1HH1 ARG 46 14.310 -0.918 -21.417 460 2HH1 ARG 46 2HH1 ARG 46 13.245 0.440 -21.278 461 1HH2 ARG 46 1HH2 ARG 46 10.629 -1.051 -23.053 462 2HH2 ARG 46 2HH2 ARG 46 11.156 0.365 -22.205 Start of MODEL 2 1 1H MET -18 1H MET -18 -21.000 -11.522 -23.025 2 2H MET -18 2H MET -18 -20.258 -13.062 -22.877 3 3H MET -18 3H MET -18 -20.095 -12.164 -24.331 4 HA MET -18 HA MET -18 -18.897 -11.677 -21.705 5 1HB MET -18 1HB MET -18 -18.091 -12.799 -24.195 6 2HB MET -18 2HB MET -18 -17.207 -11.294 -23.980 7 1HG MET -18 1HG MET -18 -15.829 -12.886 -23.018 8 2HG MET -18 2HG MET -18 -16.660 -12.170 -21.639 9 1HE MET -18 1HE MET -18 -15.206 -15.411 -21.874 10 2HE MET -18 2HE MET -18 -16.219 -15.827 -20.491 11 3HE MET -18 3HE MET -18 -15.472 -14.232 -20.590 12 H ASN -17 H ASN -17 -20.191 -10.166 -24.559 13 HA ASN -17 HA ASN -17 -18.908 -7.621 -23.998 14 1HB ASN -17 1HB ASN -17 -20.274 -8.836 -26.260 15 2HB ASN -17 2HB ASN -17 -20.842 -7.196 -25.961 16 1HD2 ASN -17 1HD2 ASN -17 -19.054 -8.566 -28.019 17 2HD2 ASN -17 2HD2 ASN -17 -17.679 -7.526 -28.118 18 H SER -16 H SER -16 -19.812 -7.215 -21.926 19 HA SER -16 HA SER -16 -22.677 -6.930 -21.662 20 1HB SER -16 1HB SER -16 -22.104 -6.151 -19.349 21 2HB SER -16 2HB SER -16 -21.468 -7.749 -19.740 22 HG SER -16 HG SER -16 -19.771 -6.702 -18.872 23 H VAL -15 H VAL -15 -23.834 -5.092 -21.792 24 HA VAL -15 HA VAL -15 -22.408 -2.669 -22.583 25 HB VAL -15 HB VAL -15 -25.391 -3.126 -22.602 26 1HG1 VAL -15 1HG1 VAL -15 -25.262 -0.891 -22.903 27 2HG1 VAL -15 2HG1 VAL -15 -24.902 -1.358 -24.565 28 3HG1 VAL -15 3HG1 VAL -15 -23.589 -0.952 -23.459 29 1HG2 VAL -15 1HG2 VAL -15 -25.267 -3.821 -24.856 30 2HG2 VAL -15 2HG2 VAL -15 -24.057 -4.772 -23.994 31 3HG2 VAL -15 3HG2 VAL -15 -23.559 -3.393 -24.973 32 H LYS -14 H LYS -14 -24.266 -4.001 -20.002 33 HA LYS -14 HA LYS -14 -24.775 -1.468 -18.718 34 1HB LYS -14 1HB LYS -14 -25.597 -2.834 -16.844 35 2HB LYS -14 2HB LYS -14 -26.320 -3.340 -18.364 36 1HG LYS -14 1HG LYS -14 -25.800 -5.388 -17.598 37 2HG LYS -14 2HG LYS -14 -24.220 -5.008 -18.289 38 1HD LYS -14 1HD LYS -14 -23.239 -4.835 -16.266 39 2HD LYS -14 2HD LYS -14 -24.644 -4.054 -15.539 40 1HE LYS -14 1HE LYS -14 -25.719 -6.419 -15.767 41 2HE LYS -14 2HE LYS -14 -24.045 -6.963 -15.869 42 1HZ LYS -14 1HZ LYS -14 -25.420 -5.638 -13.620 43 2HZ LYS -14 2HZ LYS -14 -23.734 -5.587 -13.749 44 3HZ LYS -14 3HZ LYS -14 -24.527 -7.076 -13.621 45 H GLU -13 H GLU -13 -22.475 -4.093 -18.551 46 HA GLU -13 HA GLU -13 -21.096 -3.110 -16.264 47 1HB GLU -13 1HB GLU -13 -21.095 -5.486 -17.701 48 2HB GLU -13 2HB GLU -13 -19.510 -4.799 -18.025 49 1HG GLU -13 1HG GLU -13 -20.377 -4.774 -15.211 50 2HG GLU -13 2HG GLU -13 -20.062 -6.359 -15.916 51 H LEU -12 H LEU -12 -20.735 -2.877 -19.733 52 HA LEU -12 HA LEU -12 -18.243 -1.534 -19.725 53 1HB LEU -12 1HB LEU -12 -20.363 -2.102 -21.697 54 2HB LEU -12 2HB LEU -12 -19.379 -0.692 -22.035 55 HG LEU -12 HG LEU -12 -18.179 -3.399 -21.486 56 1HD1 LEU -12 1HD1 LEU -12 -18.531 -2.270 -24.234 57 2HD1 LEU -12 2HD1 LEU -12 -19.799 -3.249 -23.494 58 3HD1 LEU -12 3HD1 LEU -12 -18.189 -3.928 -23.741 59 1HD2 LEU -12 1HD2 LEU -12 -17.093 -0.962 -22.892 60 2HD2 LEU -12 2HD2 LEU -12 -16.226 -2.460 -22.554 61 3HD2 LEU -12 3HD2 LEU -12 -16.733 -1.417 -21.226 62 H ASN -11 H ASN -11 -21.518 -0.500 -19.271 63 HA ASN -11 HA ASN -11 -21.027 2.272 -19.733 64 1HB ASN -11 1HB ASN -11 -23.291 0.722 -19.514 65 2HB ASN -11 2HB ASN -11 -23.311 1.644 -18.015 66 1HD2 ASN -11 1HD2 ASN -11 -23.819 1.697 -21.380 67 2HD2 ASN -11 2HD2 ASN -11 -24.241 3.366 -21.526 68 H VAL -10 H VAL -10 -20.760 0.129 -17.042 69 HA VAL -10 HA VAL -10 -20.739 2.134 -15.004 70 HB VAL -10 HB VAL -10 -19.580 -0.649 -14.835 71 1HG1 VAL -10 1HG1 VAL -10 -20.862 0.653 -12.520 72 2HG1 VAL -10 2HG1 VAL -10 -19.328 1.345 -13.049 73 3HG1 VAL -10 3HG1 VAL -10 -19.420 -0.359 -12.602 74 1HG2 VAL -10 1HG2 VAL -10 -22.216 -0.308 -13.680 75 2HG2 VAL -10 2HG2 VAL -10 -21.621 -1.544 -14.787 76 3HG2 VAL -10 3HG2 VAL -10 -22.216 -0.009 -15.418 77 H LYS -9 H LYS -9 -18.314 0.548 -16.984 78 HA LYS -9 HA LYS -9 -16.020 1.299 -15.563 79 1HB LYS -9 1HB LYS -9 -16.590 0.523 -18.388 80 2HB LYS -9 2HB LYS -9 -15.023 1.228 -18.018 81 1HG LYS -9 1HG LYS -9 -14.311 -0.598 -16.907 82 2HG LYS -9 2HG LYS -9 -15.904 -0.941 -16.232 83 1HD LYS -9 1HD LYS -9 -15.549 -2.712 -17.701 84 2HD LYS -9 2HD LYS -9 -16.541 -1.598 -18.643 85 1HE LYS -9 1HE LYS -9 -14.472 -0.699 -19.670 86 2HE LYS -9 2HE LYS -9 -13.547 -1.921 -18.798 87 1HZ LYS -9 1HZ LYS -9 -14.514 -2.252 -21.266 88 2HZ LYS -9 2HZ LYS -9 -15.766 -2.937 -20.358 89 3HZ LYS -9 3HZ LYS -9 -14.189 -3.529 -20.204 90 H GLU -8 H GLU -8 -18.060 3.078 -17.766 91 HA GLU -8 HA GLU -8 -16.335 5.175 -18.422 92 1HB GLU -8 1HB GLU -8 -19.260 4.760 -18.413 93 2HB GLU -8 2HB GLU -8 -18.718 6.433 -18.411 94 1HG GLU -8 1HG GLU -8 -18.033 4.318 -20.438 95 2HG GLU -8 2HG GLU -8 -19.099 5.703 -20.668 96 H MET -7 H MET -7 -18.987 5.383 -16.113 97 HA MET -7 HA MET -7 -18.182 7.726 -14.859 98 1HB MET -7 1HB MET -7 -19.619 6.986 -12.961 99 2HB MET -7 2HB MET -7 -20.407 6.873 -14.529 100 1HG MET -7 1HG MET -7 -21.013 4.884 -13.574 101 2HG MET -7 2HG MET -7 -19.568 4.412 -14.466 102 1HE MET -7 1HE MET -7 -21.129 5.404 -11.155 103 2HE MET -7 2HE MET -7 -19.681 6.372 -10.882 104 3HE MET -7 3HE MET -7 -19.964 4.920 -9.923 105 H LYS -6 H LYS -6 -17.138 4.433 -14.365 106 HA LYS -6 HA LYS -6 -15.976 4.583 -11.855 107 1HB LYS -6 1HB LYS -6 -16.142 2.656 -13.734 108 2HB LYS -6 2HB LYS -6 -14.453 3.107 -13.927 109 1HG LYS -6 1HG LYS -6 -14.520 1.307 -12.396 110 2HG LYS -6 2HG LYS -6 -14.178 2.762 -11.458 111 1HD LYS -6 1HD LYS -6 -16.149 2.670 -10.353 112 2HD LYS -6 2HD LYS -6 -17.029 2.077 -11.764 113 1HE LYS -6 1HE LYS -6 -15.064 0.235 -10.536 114 2HE LYS -6 2HE LYS -6 -16.529 0.568 -9.611 115 1HZ LYS -6 1HZ LYS -6 -17.557 0.094 -12.018 116 2HZ LYS -6 2HZ LYS -6 -17.332 -1.109 -10.850 117 3HZ LYS -6 3HZ LYS -6 -16.196 -0.909 -12.086 118 H GLN -5 H GLN -5 -14.236 4.995 -14.957 119 HA GLN -5 HA GLN -5 -12.048 6.279 -13.588 120 1HB GLN -5 1HB GLN -5 -12.606 5.410 -16.379 121 2HB GLN -5 2HB GLN -5 -11.297 6.540 -16.073 122 1HG GLN -5 1HG GLN -5 -10.443 4.284 -16.172 123 2HG GLN -5 2HG GLN -5 -10.271 4.926 -14.539 124 1HE2 GLN -5 1HE2 GLN -5 -12.875 3.345 -16.365 125 2HE2 GLN -5 2HE2 GLN -5 -13.210 2.140 -15.174 126 H LEU -4 H LEU -4 -14.853 7.463 -14.007 127 HA LEU -4 HA LEU -4 -14.250 9.886 -15.478 128 1HB LEU -4 1HB LEU -4 -16.497 8.575 -15.473 129 2HB LEU -4 2HB LEU -4 -16.784 9.406 -13.956 130 HG LEU -4 HG LEU -4 -17.874 10.605 -15.739 131 1HD1 LEU -4 1HD1 LEU -4 -17.204 12.714 -15.158 132 2HD1 LEU -4 2HD1 LEU -4 -15.488 12.311 -15.237 133 3HD1 LEU -4 3HD1 LEU -4 -16.458 11.776 -13.865 134 1HD2 LEU -4 1HD2 LEU -4 -16.797 11.404 -17.679 135 2HD2 LEU -4 2HD2 LEU -4 -16.298 9.721 -17.514 136 3HD2 LEU -4 3HD2 LEU -4 -15.198 11.016 -17.045 137 H HIS -3 H HIS -3 -15.100 8.881 -12.236 138 HA HIS -3 HA HIS -3 -14.245 11.479 -11.217 139 1HB HIS -3 1HB HIS -3 -16.389 9.614 -10.439 140 2HB HIS -3 2HB HIS -3 -15.502 10.332 -9.098 141 HD1 HIS -3 HD1 HIS -3 -15.679 12.921 -8.813 142 HD2 HIS -3 HD2 HIS -3 -18.082 11.338 -11.810 143 HE1 HIS -3 HE1 HIS -3 -17.309 14.744 -9.400 144 HE2 HIS -3 HE2 HIS -3 -18.693 13.795 -11.278 145 H GLY -2 H GLY -2 -12.518 9.182 -11.925 146 1HA GLY -2 1HA GLY -2 -11.653 7.761 -9.680 147 2HA GLY -2 2HA GLY -2 -10.661 8.132 -11.082 148 H GLY -1 H GLY -1 -10.746 8.388 -7.848 149 1HA GLY -1 1HA GLY -1 -8.507 9.889 -7.487 150 2HA GLY -1 2HA GLY -1 -9.791 11.087 -7.524 151 H VAL 1 H VAL 1 -8.529 8.287 -5.816 152 HA VAL 1 HA VAL 1 -10.299 8.873 -3.549 153 HB VAL 1 HB VAL 1 -10.267 6.539 -4.321 154 1HG1 VAL 1 1HG1 VAL 1 -7.369 6.533 -3.486 155 2HG1 VAL 1 2HG1 VAL 1 -7.947 6.509 -5.151 156 3HG1 VAL 1 3HG1 VAL 1 -8.295 5.155 -4.078 157 1HG2 VAL 1 1HG2 VAL 1 -9.646 5.501 -2.091 158 2HG2 VAL 1 2HG2 VAL 1 -10.823 6.813 -2.045 159 3HG2 VAL 1 3HG2 VAL 1 -9.147 7.118 -1.591 160 H ASN 2 H ASN 2 -9.546 9.836 -1.776 161 HA ASN 2 HA ASN 2 -6.849 9.507 -0.869 162 1HB ASN 2 1HB ASN 2 -7.670 11.992 -2.303 163 2HB ASN 2 2HB ASN 2 -6.622 12.156 -0.897 164 1HD2 ASN 2 1HD2 ASN 2 -6.705 11.714 -4.172 165 2HD2 ASN 2 2HD2 ASN 2 -5.102 11.115 -4.412 166 H TYR 3 H TYR 3 -9.407 9.017 0.207 167 HA TYR 3 HA TYR 3 -9.126 10.078 2.781 168 1HB TYR 3 1HB TYR 3 -11.028 11.589 2.928 169 2HB TYR 3 2HB TYR 3 -9.903 12.170 1.706 170 HD1 TYR 3 HD1 TYR 3 -13.275 11.574 2.409 171 HD2 TYR 3 HD2 TYR 3 -10.441 11.302 -0.754 172 HE1 TYR 3 HE1 TYR 3 -15.106 11.647 0.771 173 HE2 TYR 3 HE2 TYR 3 -12.265 11.376 -2.401 174 HH TYR 3 HH TYR 3 -15.556 11.027 -1.517 175 H GLY 4 H GLY 4 -9.544 7.567 1.611 176 1HA GLY 4 1HA GLY 4 -11.800 6.677 3.176 177 2HA GLY 4 2HA GLY 4 -12.020 6.484 1.443 178 H ASN 5 H ASN 5 -9.166 6.047 3.523 179 HA ASN 5 HA ASN 5 -8.911 3.335 2.420 180 1HB ASN 5 1HB ASN 5 -7.037 5.447 2.677 181 2HB ASN 5 2HB ASN 5 -6.536 4.176 3.789 182 1HD2 ASN 5 1HD2 ASN 5 -5.792 2.256 2.998 183 2HD2 ASN 5 2HD2 ASN 5 -5.479 1.978 1.322 184 H GLY 6 H GLY 6 -9.419 5.126 5.302 185 1HA GLY 6 1HA GLY 6 -10.367 3.259 6.936 186 2HA GLY 6 2HA GLY 6 -8.647 2.917 7.038 187 H VAL 7 H VAL 7 -10.678 5.851 7.058 188 HA VAL 7 HA VAL 7 -8.949 7.178 8.910 189 HB VAL 7 HB VAL 7 -11.774 8.007 8.280 190 1HG1 VAL 7 1HG1 VAL 7 -10.393 10.277 8.404 191 2HG1 VAL 7 2HG1 VAL 7 -9.363 9.284 9.436 192 3HG1 VAL 7 3HG1 VAL 7 -11.066 9.501 9.838 193 1HG2 VAL 7 1HG2 VAL 7 -10.562 9.425 6.474 194 2HG2 VAL 7 2HG2 VAL 7 -10.976 7.747 6.122 195 3HG2 VAL 7 3HG2 VAL 7 -9.324 8.172 6.571 196 H SER 8 H SER 8 -9.716 8.061 10.993 197 HA SER 8 HA SER 8 -10.341 7.682 13.147 198 1HB SER 8 1HB SER 8 -12.546 8.163 11.814 199 2HB SER 8 2HB SER 8 -12.895 6.469 12.159 200 HG SER 8 HG SER 8 -12.628 8.633 13.925 201 H CYS 9 H CYS 9 -11.508 5.899 14.619 202 HA CYS 9 HA CYS 9 -9.868 3.565 14.351 203 1HB CYS 9 1HB CYS 9 -11.494 4.802 16.414 204 2HB CYS 9 2HB CYS 9 -11.747 3.061 16.362 205 H SER 10 H SER 10 -10.363 1.694 13.413 206 HA SER 10 HA SER 10 -12.967 0.566 13.398 207 1HB SER 10 1HB SER 10 -13.081 0.531 10.815 208 2HB SER 10 2HB SER 10 -13.602 1.990 11.656 209 HG SER 10 HG SER 10 -11.106 1.536 10.386 210 H LYS 11 H LYS 11 -12.349 -1.418 13.851 211 HA LYS 11 HA LYS 11 -11.399 -3.467 13.718 212 1HB LYS 11 1HB LYS 11 -12.202 -3.132 11.340 213 2HB LYS 11 2HB LYS 11 -10.538 -2.734 10.936 214 1HG LYS 11 1HG LYS 11 -10.878 -5.022 10.398 215 2HG LYS 11 2HG LYS 11 -9.868 -4.966 11.844 216 1HD LYS 11 1HD LYS 11 -12.325 -5.057 12.964 217 2HD LYS 11 2HD LYS 11 -12.615 -5.972 11.484 218 1HE LYS 11 1HE LYS 11 -10.191 -6.592 13.100 219 2HE LYS 11 2HE LYS 11 -11.760 -7.150 13.682 220 1HZ LYS 11 1HZ LYS 11 -10.567 -7.755 11.029 221 2HZ LYS 11 2HZ LYS 11 -12.098 -8.258 11.545 222 3HZ LYS 11 3HZ LYS 11 -10.712 -8.831 12.327 223 H THR 12 H THR 12 -9.557 -0.679 13.471 224 HA THR 12 HA THR 12 -7.229 -2.063 14.421 225 HB THR 12 HB THR 12 -7.455 -1.003 11.709 226 HG1 THR 12 HG1 THR 12 -6.747 -3.023 11.831 227 1HG2 THR 12 1HG2 THR 12 -6.144 0.846 12.625 228 2HG2 THR 12 2HG2 THR 12 -5.190 -0.155 11.530 229 3HG2 THR 12 3HG2 THR 12 -4.981 -0.309 13.275 230 H LYS 13 H LYS 13 -5.538 -0.486 15.164 231 HA LYS 13 HA LYS 13 -6.675 1.455 16.835 232 1HB LYS 13 1HB LYS 13 -4.310 2.235 17.153 233 2HB LYS 13 2HB LYS 13 -4.555 0.515 17.420 234 1HG LYS 13 1HG LYS 13 -3.889 0.878 14.689 235 2HG LYS 13 2HG LYS 13 -2.741 1.804 15.658 236 1HD LYS 13 1HD LYS 13 -3.003 -0.618 17.006 237 2HD LYS 13 2HD LYS 13 -2.975 -1.062 15.298 238 1HE LYS 13 1HE LYS 13 -0.744 -0.978 15.553 239 2HE LYS 13 2HE LYS 13 -0.973 0.763 15.388 240 1HZ LYS 13 1HZ LYS 13 0.389 -0.019 17.344 241 2HZ LYS 13 2HZ LYS 13 -1.052 -0.596 18.017 242 3HZ LYS 13 3HZ LYS 13 -0.869 1.055 17.698 243 H CYS 14 H CYS 14 -6.884 3.660 16.694 244 HA CYS 14 HA CYS 14 -6.672 4.766 13.991 245 1HB CYS 14 1HB CYS 14 -7.993 6.708 15.156 246 2HB CYS 14 2HB CYS 14 -8.818 5.229 14.690 247 H SER 15 H SER 15 -4.233 4.520 15.005 248 HA SER 15 HA SER 15 -3.494 7.286 15.674 249 1HB SER 15 1HB SER 15 -1.612 6.304 17.064 250 2HB SER 15 2HB SER 15 -3.230 6.118 17.739 251 HG SER 15 HG SER 15 -3.174 4.006 17.344 252 H VAL 16 H VAL 16 -2.934 7.708 13.543 253 HA VAL 16 HA VAL 16 -1.389 6.088 11.877 254 HB VAL 16 HB VAL 16 -2.650 8.036 11.070 255 1HG1 VAL 16 1HG1 VAL 16 -1.774 10.295 11.350 256 2HG1 VAL 16 2HG1 VAL 16 -0.484 9.676 12.380 257 3HG1 VAL 16 3HG1 VAL 16 -2.163 9.569 12.909 258 1HG2 VAL 16 1HG2 VAL 16 -0.713 7.057 9.802 259 2HG2 VAL 16 2HG2 VAL 16 0.270 8.380 10.427 260 3HG2 VAL 16 3HG2 VAL 16 -1.115 8.724 9.391 261 H ASN 17 H ASN 17 0.831 6.430 11.150 262 HA ASN 17 HA ASN 17 2.614 7.604 13.159 263 1HB ASN 17 1HB ASN 17 2.513 4.757 12.282 264 2HB ASN 17 2HB ASN 17 4.099 5.474 12.546 265 1HD2 ASN 17 1HD2 ASN 17 4.767 5.931 14.592 266 2HD2 ASN 17 2HD2 ASN 17 3.889 5.471 16.007 267 H TRP 18 H TRP 18 2.687 9.272 11.489 268 HA TRP 18 HA TRP 18 3.826 8.668 8.943 269 1HB TRP 18 1HB TRP 18 2.758 11.034 10.302 270 2HB TRP 18 2HB TRP 18 4.102 11.382 9.219 271 HD1 TRP 18 HD1 TRP 18 1.195 8.863 8.704 272 HE1 TRP 18 HE1 TRP 18 0.028 9.447 6.487 273 HE3 TRP 18 HE3 TRP 18 3.858 13.048 7.461 274 HZ2 TRP 18 HZ2 TRP 18 0.211 11.419 4.476 275 HZ3 TRP 18 HZ3 TRP 18 3.299 14.223 5.374 276 HH2 TRP 18 HH2 TRP 18 1.513 13.425 3.912 277 H GLY 19 H GLY 19 5.267 8.544 11.838 278 1HA GLY 19 1HA GLY 19 7.793 9.702 10.838 279 2HA GLY 19 2HA GLY 19 7.374 9.581 12.541 280 H GLN 20 H GLN 20 6.716 7.164 13.102 281 HA GLN 20 HA GLN 20 9.057 5.655 13.004 282 1HB GLN 20 1HB GLN 20 6.794 5.479 14.443 283 2HB GLN 20 2HB GLN 20 6.486 4.191 13.286 284 1HG GLN 20 1HG GLN 20 8.459 3.028 13.943 285 2HG GLN 20 2HG GLN 20 8.989 4.383 14.939 286 1HE2 GLN 20 1HE2 GLN 20 8.729 4.044 17.013 287 2HE2 GLN 20 2HE2 GLN 20 7.464 3.129 17.753 288 H ALA 21 H ALA 21 5.978 4.822 11.344 289 HA ALA 21 HA ALA 21 7.269 2.965 9.692 290 1HB ALA 21 1HB ALA 21 4.733 3.201 10.272 291 2HB ALA 21 2HB ALA 21 5.263 2.456 8.762 292 3HB ALA 21 3HB ALA 21 4.716 4.135 8.774 293 H PHE 22 H PHE 22 7.567 6.126 9.646 294 HA PHE 22 HA PHE 22 7.623 6.664 6.845 295 1HB PHE 22 1HB PHE 22 7.465 8.415 8.727 296 2HB PHE 22 2HB PHE 22 9.196 8.174 8.935 297 HD1 PHE 22 HD1 PHE 22 10.770 9.052 7.386 298 HD2 PHE 22 HD2 PHE 22 6.593 9.397 6.647 299 HE1 PHE 22 HE1 PHE 22 11.226 10.673 5.592 300 HE2 PHE 22 HE2 PHE 22 7.041 11.019 4.851 301 HZ PHE 22 HZ PHE 22 9.360 11.658 4.321 302 H GLN 23 H GLN 23 9.865 5.786 9.373 303 HA GLN 23 HA GLN 23 12.173 5.618 7.684 304 1HB GLN 23 1HB GLN 23 11.502 5.159 10.513 305 2HB GLN 23 2HB GLN 23 12.705 4.038 9.882 306 1HG GLN 23 1HG GLN 23 14.261 5.678 9.534 307 2HG GLN 23 2HG GLN 23 13.047 6.944 9.353 308 1HE2 GLN 23 1HE2 GLN 23 12.379 8.067 11.110 309 2HE2 GLN 23 2HE2 GLN 23 13.028 7.855 12.696 310 H GLU 24 H GLU 24 9.484 3.618 8.470 311 HA GLU 24 HA GLU 24 10.608 1.090 7.869 312 1HB GLU 24 1HB GLU 24 7.789 2.099 8.072 313 2HB GLU 24 2HB GLU 24 8.145 0.445 7.598 314 1HG GLU 24 1HG GLU 24 8.948 1.754 10.186 315 2HG GLU 24 2HG GLU 24 7.638 0.594 9.968 316 H ARG 25 H ARG 25 8.577 3.343 6.027 317 HA ARG 25 HA ARG 25 8.309 1.866 3.699 318 1HB ARG 25 1HB ARG 25 8.211 4.766 4.353 319 2HB ARG 25 2HB ARG 25 8.305 4.317 2.656 320 1HG ARG 25 1HG ARG 25 6.268 3.009 4.393 321 2HG ARG 25 2HG ARG 25 5.995 4.655 3.820 322 1HD ARG 25 1HD ARG 25 6.359 3.867 1.504 323 2HD ARG 25 2HD ARG 25 6.520 2.222 2.117 324 HE ARG 25 HE ARG 25 4.242 2.116 2.343 325 1HH1 ARG 25 1HH1 ARG 25 5.183 5.444 1.872 326 2HH1 ARG 25 2HH1 ARG 25 3.557 6.009 1.687 327 1HH2 ARG 25 1HH2 ARG 25 2.101 2.858 2.100 328 2HH2 ARG 25 2HH2 ARG 25 1.807 4.541 1.817 329 H TYR 26 H TYR 26 11.022 3.664 4.875 330 HA TYR 26 HA TYR 26 12.445 3.932 2.459 331 1HB TYR 26 1HB TYR 26 13.038 4.194 5.335 332 2HB TYR 26 2HB TYR 26 14.422 3.767 4.332 333 HD1 TYR 26 HD1 TYR 26 14.987 5.267 2.365 334 HD2 TYR 26 HD2 TYR 26 12.236 6.402 5.405 335 HE1 TYR 26 HE1 TYR 26 15.242 7.623 1.707 336 HE2 TYR 26 HE2 TYR 26 12.482 8.760 4.755 337 HH TYR 26 HH TYR 26 14.934 9.827 2.601 338 H THR 27 H THR 27 12.587 1.478 5.022 339 HA THR 27 HA THR 27 14.454 -0.155 3.568 340 HB THR 27 HB THR 27 12.801 -0.759 6.031 341 HG1 THR 27 HG1 THR 27 14.394 0.955 6.179 342 1HG2 THR 27 1HG2 THR 27 14.440 -2.507 6.495 343 2HG2 THR 27 2HG2 THR 27 15.193 -2.213 4.928 344 3HG2 THR 27 3HG2 THR 27 13.541 -2.826 5.012 345 H ALA 28 H ALA 28 10.980 -0.187 4.212 346 HA ALA 28 HA ALA 28 10.468 -2.689 2.990 347 1HB ALA 28 1HB ALA 28 8.126 -2.057 3.094 348 2HB ALA 28 2HB ALA 28 8.574 -0.386 3.436 349 3HB ALA 28 3HB ALA 28 8.939 -1.654 4.606 350 H GLY 29 H GLY 29 10.557 0.624 1.814 351 1HA GLY 29 1HA GLY 29 9.371 0.147 -0.710 352 2HA GLY 29 2HA GLY 29 10.409 1.505 -0.303 353 H ILE 30 H ILE 30 12.814 0.569 0.128 354 HA ILE 30 HA ILE 30 13.814 -0.080 -2.405 355 HB ILE 30 HB ILE 30 15.183 -0.482 0.259 356 1HG1 ILE 30 1HG1 ILE 30 15.107 1.915 -1.588 357 2HG1 ILE 30 2HG1 ILE 30 14.375 1.810 0.009 358 1HG2 ILE 30 1HG2 ILE 30 16.458 0.019 -2.421 359 2HG2 ILE 30 2HG2 ILE 30 16.200 -1.598 -1.765 360 3HG2 ILE 30 3HG2 ILE 30 17.240 -0.457 -0.914 361 1HD1 ILE 30 1HD1 ILE 30 17.326 1.553 -0.494 362 2HD1 ILE 30 2HD1 ILE 30 16.507 1.726 1.058 363 3HD1 ILE 30 3HD1 ILE 30 16.520 3.068 -0.086 364 H ASN 31 H ASN 31 12.720 -2.088 0.214 365 HA ASN 31 HA ASN 31 13.995 -4.491 -0.356 366 1HB ASN 31 1HB ASN 31 12.113 -3.690 1.453 367 2HB ASN 31 2HB ASN 31 11.159 -4.739 0.410 368 1HD2 ASN 31 1HD2 ASN 31 13.785 -4.552 2.662 369 2HD2 ASN 31 2HD2 ASN 31 13.963 -6.252 2.914 370 H SER 32 H SER 32 10.646 -3.700 -1.318 371 HA SER 32 HA SER 32 10.357 -5.771 -3.157 372 1HB SER 32 1HB SER 32 8.995 -3.167 -3.695 373 2HB SER 32 2HB SER 32 8.338 -4.804 -3.720 374 HG SER 32 HG SER 32 8.068 -4.751 -1.582 375 H PHE 33 H PHE 33 11.823 -2.623 -3.472 376 HA PHE 33 HA PHE 33 11.955 -2.480 -6.277 377 1HB PHE 33 1HB PHE 33 12.463 -0.437 -5.384 378 2HB PHE 33 2HB PHE 33 13.275 -1.131 -3.987 379 HD1 PHE 33 HD1 PHE 33 13.719 -0.622 -7.650 380 HD2 PHE 33 HD2 PHE 33 15.570 -1.034 -3.840 381 HE1 PHE 33 HE1 PHE 33 15.900 -0.090 -8.658 382 HE2 PHE 33 HE2 PHE 33 17.755 -0.501 -4.841 383 HZ PHE 33 HZ PHE 33 17.921 -0.029 -7.253 384 H VAL 34 H VAL 34 14.511 -3.389 -3.951 385 HA VAL 34 HA VAL 34 16.395 -4.254 -5.800 386 HB VAL 34 HB VAL 34 15.933 -5.359 -3.020 387 1HG1 VAL 34 1HG1 VAL 34 18.293 -6.002 -3.101 388 2HG1 VAL 34 2HG1 VAL 34 18.393 -5.433 -4.768 389 3HG1 VAL 34 3HG1 VAL 34 17.365 -6.809 -4.365 390 1HG2 VAL 34 1HG2 VAL 34 16.321 -2.821 -3.391 391 2HG2 VAL 34 2HG2 VAL 34 17.982 -3.301 -3.738 392 3HG2 VAL 34 3HG2 VAL 34 17.266 -3.669 -2.168 393 H SER 35 H SER 35 14.608 -6.590 -3.768 394 HA SER 35 HA SER 35 15.069 -8.754 -5.278 395 1HB SER 35 1HB SER 35 12.556 -9.319 -4.333 396 2HB SER 35 2HB SER 35 14.038 -9.515 -3.405 397 HG SER 35 HG SER 35 13.073 -8.153 -2.115 398 H GLY 36 H GLY 36 12.187 -6.726 -5.581 399 1HA GLY 36 1HA GLY 36 10.785 -7.964 -7.527 400 2HA GLY 36 2HA GLY 36 11.091 -6.228 -7.604 401 H VAL 37 H VAL 37 13.800 -6.216 -7.946 402 HA VAL 37 HA VAL 37 14.067 -7.082 -10.681 403 HB VAL 37 HB VAL 37 15.863 -5.311 -9.023 404 1HG1 VAL 37 1HG1 VAL 37 17.331 -5.901 -10.642 405 2HG1 VAL 37 2HG1 VAL 37 16.448 -4.692 -11.574 406 3HG1 VAL 37 3HG1 VAL 37 16.064 -6.403 -11.761 407 1HG2 VAL 37 1HG2 VAL 37 14.117 -3.904 -9.293 408 2HG2 VAL 37 2HG2 VAL 37 13.469 -4.795 -10.671 409 3HG2 VAL 37 3HG2 VAL 37 14.823 -3.686 -10.894 410 H ALA 38 H ALA 38 16.405 -6.890 -8.021 411 HA ALA 38 HA ALA 38 17.866 -9.117 -9.035 412 1HB ALA 38 1HB ALA 38 18.680 -8.033 -6.436 413 2HB ALA 38 2HB ALA 38 18.591 -6.852 -7.749 414 3HB ALA 38 3HB ALA 38 19.614 -8.279 -7.918 415 H SER 39 H SER 39 17.074 -8.416 -5.716 416 HA SER 39 HA SER 39 17.324 -11.002 -4.790 417 1HB SER 39 1HB SER 39 17.458 -8.729 -3.624 418 2HB SER 39 2HB SER 39 15.731 -8.947 -3.349 419 HG SER 39 HG SER 39 16.742 -9.838 -1.606 420 H GLY 40 H GLY 40 14.950 -10.218 -6.826 421 1HA GLY 40 1HA GLY 40 13.155 -12.214 -5.633 422 2HA GLY 40 2HA GLY 40 12.492 -10.669 -6.144 423 H ALA 41 H ALA 41 13.101 -10.077 -8.484 424 HA ALA 41 HA ALA 41 12.786 -10.512 -10.694 425 1HB ALA 41 1HB ALA 41 14.038 -13.201 -10.339 426 2HB ALA 41 2HB ALA 41 14.998 -11.741 -10.109 427 3HB ALA 41 3HB ALA 41 14.216 -12.046 -11.660 428 H GLY 42 H GLY 42 10.496 -10.863 -9.464 429 1HA GLY 42 1HA GLY 42 8.432 -11.773 -10.052 430 2HA GLY 42 2HA GLY 42 9.269 -13.030 -10.949 431 H SER 43 H SER 43 8.603 -11.942 -7.632 432 HA SER 43 HA SER 43 8.720 -14.755 -6.774 433 1HB SER 43 1HB SER 43 10.108 -12.703 -5.710 434 2HB SER 43 2HB SER 43 8.643 -12.599 -4.735 435 HG SER 43 HG SER 43 8.983 -14.952 -4.417 436 H ILE 44 H ILE 44 6.479 -14.468 -7.984 437 HA ILE 44 HA ILE 44 4.200 -14.316 -7.896 438 HB ILE 44 HB ILE 44 4.719 -16.330 -6.529 439 1HG1 ILE 44 1HG1 ILE 44 2.498 -16.604 -5.643 440 2HG1 ILE 44 2HG1 ILE 44 2.274 -14.864 -5.518 441 1HG2 ILE 44 1HG2 ILE 44 4.319 -16.105 -4.044 442 2HG2 ILE 44 2HG2 ILE 44 4.525 -14.369 -4.261 443 3HG2 ILE 44 3HG2 ILE 44 5.847 -15.469 -4.651 444 1HD1 ILE 44 1HD1 ILE 44 2.211 -14.643 -7.897 445 2HD1 ILE 44 2HD1 ILE 44 1.087 -15.915 -7.421 446 3HD1 ILE 44 3HD1 ILE 44 2.654 -16.337 -8.111 447 H GLY 45 H GLY 45 5.397 -11.838 -7.348 448 1HA GLY 45 1HA GLY 45 3.846 -10.720 -5.125 449 2HA GLY 45 2HA GLY 45 5.152 -9.913 -5.979 450 H ARG 46 H ARG 46 4.418 -8.189 -7.013 451 HA ARG 46 HA ARG 46 3.138 -6.816 -8.297 452 1HB ARG 46 1HB ARG 46 3.354 -9.073 -9.724 453 2HB ARG 46 2HB ARG 46 1.611 -9.071 -9.485 454 1HG ARG 46 1HG ARG 46 1.304 -7.160 -10.725 455 2HG ARG 46 2HG ARG 46 2.957 -6.598 -10.464 456 1HD ARG 46 1HD ARG 46 3.753 -8.474 -11.889 457 2HD ARG 46 2HD ARG 46 2.070 -8.875 -12.232 458 HE ARG 46 HE ARG 46 2.736 -6.147 -12.825 459 1HH1 ARG 46 1HH1 ARG 46 2.758 -9.415 -14.048 460 2HH1 ARG 46 2HH1 ARG 46 2.754 -8.926 -15.709 461 1HH2 ARG 46 1HH2 ARG 46 2.729 -5.502 -15.009 462 2HH2 ARG 46 2HH2 ARG 46 2.735 -6.705 -16.255 Start of MODEL 3 1 1H MET -18 1H MET -18 2.278 -30.021 10.916 2 2H MET -18 2H MET -18 2.556 -31.250 9.750 3 3H MET -18 3H MET -18 2.263 -29.636 9.245 4 HA MET -18 HA MET -18 4.625 -30.780 10.540 5 1HB MET -18 1HB MET -18 4.110 -29.106 8.073 6 2HB MET -18 2HB MET -18 5.706 -29.586 8.631 7 1HG MET -18 1HG MET -18 3.711 -31.732 8.212 8 2HG MET -18 2HG MET -18 4.361 -30.933 6.782 9 1HE MET -18 1HE MET -18 5.092 -33.451 9.711 10 2HE MET -18 2HE MET -18 6.125 -34.440 8.679 11 3HE MET -18 3HE MET -18 4.505 -33.997 8.140 12 H ASN -17 H ASN -17 6.390 -28.936 10.559 13 HA ASN -17 HA ASN -17 5.369 -26.917 12.383 14 1HB ASN -17 1HB ASN -17 8.048 -28.043 11.732 15 2HB ASN -17 2HB ASN -17 7.987 -26.403 12.369 16 1HD2 ASN -17 1HD2 ASN -17 6.070 -26.428 14.197 17 2HD2 ASN -17 2HD2 ASN -17 6.409 -27.565 15.454 18 H SER -16 H SER -16 4.305 -26.259 10.087 19 HA SER -16 HA SER -16 5.958 -24.605 8.436 20 1HB SER -16 1HB SER -16 4.070 -25.606 7.382 21 2HB SER -16 2HB SER -16 2.970 -25.001 8.621 22 HG SER -16 HG SER -16 3.317 -23.864 6.409 23 H VAL -15 H VAL -15 6.330 -22.462 8.541 24 HA VAL -15 HA VAL -15 5.314 -21.051 10.890 25 HB VAL -15 HB VAL -15 7.421 -20.091 8.955 26 1HG1 VAL -15 1HG1 VAL -15 6.818 -19.300 11.803 27 2HG1 VAL -15 2HG1 VAL -15 6.385 -18.372 10.368 28 3HG1 VAL -15 3HG1 VAL -15 8.082 -18.623 10.776 29 1HG2 VAL -15 1HG2 VAL -15 7.572 -22.063 11.144 30 2HG2 VAL -15 2HG2 VAL -15 8.834 -20.831 11.124 31 3HG2 VAL -15 3HG2 VAL -15 8.591 -21.866 9.718 32 H LYS -14 H LYS -14 5.035 -21.133 7.459 33 HA LYS -14 HA LYS -14 3.808 -18.519 7.268 34 1HB LYS -14 1HB LYS -14 5.138 -19.421 5.386 35 2HB LYS -14 2HB LYS -14 3.992 -20.744 5.222 36 1HG LYS -14 1HG LYS -14 3.438 -19.185 3.550 37 2HG LYS -14 2HG LYS -14 2.219 -18.998 4.812 38 1HD LYS -14 1HD LYS -14 4.596 -17.293 5.108 39 2HD LYS -14 2HD LYS -14 3.601 -16.947 3.693 40 1HE LYS -14 1HE LYS -14 2.101 -15.911 4.961 41 2HE LYS -14 2HE LYS -14 1.904 -17.351 5.957 42 1HZ LYS -14 1HZ LYS -14 4.259 -15.681 6.423 43 2HZ LYS -14 2HZ LYS -14 3.339 -16.581 7.520 44 3HZ LYS -14 3HZ LYS -14 2.763 -15.095 6.954 45 H GLU -13 H GLU -13 2.903 -21.856 7.608 46 HA GLU -13 HA GLU -13 0.131 -21.449 7.055 47 1HB GLU -13 1HB GLU -13 1.354 -23.635 6.746 48 2HB GLU -13 2HB GLU -13 1.392 -23.775 8.498 49 1HG GLU -13 1HG GLU -13 -0.976 -23.920 8.619 50 2HG GLU -13 2HG GLU -13 -1.149 -23.493 6.917 51 H LEU -12 H LEU -12 2.163 -21.753 9.893 52 HA LEU -12 HA LEU -12 0.009 -21.587 11.762 53 1HB LEU -12 1HB LEU -12 2.564 -22.389 11.970 54 2HB LEU -12 2HB LEU -12 2.726 -20.761 12.596 55 HG LEU -12 HG LEU -12 2.409 -22.235 14.449 56 1HD1 LEU -12 1HD1 LEU -12 1.116 -20.017 14.293 57 2HD1 LEU -12 2HD1 LEU -12 0.658 -21.171 15.545 58 3HD1 LEU -12 3HD1 LEU -12 -0.308 -21.034 14.076 59 1HD2 LEU -12 1HD2 LEU -12 1.070 -23.857 12.766 60 2HD2 LEU -12 2HD2 LEU -12 -0.277 -23.153 13.661 61 3HD2 LEU -12 3HD2 LEU -12 1.008 -23.999 14.523 62 H ASN -11 H ASN -11 1.876 -19.283 10.002 63 HA ASN -11 HA ASN -11 1.355 -17.073 11.729 64 1HB ASN -11 1HB ASN -11 2.743 -17.511 9.179 65 2HB ASN -11 2HB ASN -11 1.978 -15.932 9.325 66 1HD2 ASN -11 1HD2 ASN -11 3.555 -18.018 11.714 67 2HD2 ASN -11 2HD2 ASN -11 4.734 -16.854 12.206 68 H VAL -10 H VAL -10 -0.105 -18.423 8.870 69 HA VAL -10 HA VAL -10 -1.934 -16.267 8.439 70 HB VAL -10 HB VAL -10 -1.261 -17.737 6.600 71 1HG1 VAL -10 1HG1 VAL -10 -2.580 -19.842 8.275 72 2HG1 VAL -10 2HG1 VAL -10 -0.985 -19.856 7.523 73 3HG1 VAL -10 3HG1 VAL -10 -2.432 -20.023 6.527 74 1HG2 VAL -10 1HG2 VAL -10 -3.873 -18.483 6.165 75 2HG2 VAL -10 2HG2 VAL -10 -3.171 -16.910 5.789 76 3HG2 VAL -10 3HG2 VAL -10 -4.024 -17.151 7.311 77 H LYS -9 H LYS -9 -1.967 -19.227 10.287 78 HA LYS -9 HA LYS -9 -4.742 -19.449 10.689 79 1HB LYS -9 1HB LYS -9 -2.313 -20.496 12.066 80 2HB LYS -9 2HB LYS -9 -3.859 -20.620 12.895 81 1HG LYS -9 1HG LYS -9 -3.852 -21.521 10.096 82 2HG LYS -9 2HG LYS -9 -2.888 -22.486 11.214 83 1HD LYS -9 1HD LYS -9 -4.704 -23.271 12.300 84 2HD LYS -9 2HD LYS -9 -5.564 -21.735 12.184 85 1HE LYS -9 1HE LYS -9 -6.558 -22.284 10.225 86 2HE LYS -9 2HE LYS -9 -5.165 -23.202 9.654 87 1HZ LYS -9 1HZ LYS -9 -6.657 -24.869 10.030 88 2HZ LYS -9 2HZ LYS -9 -7.415 -24.077 11.318 89 3HZ LYS -9 3HZ LYS -9 -5.912 -24.819 11.548 90 H GLU -8 H GLU -8 -2.227 -17.721 12.472 91 HA GLU -8 HA GLU -8 -3.763 -16.949 14.673 92 1HB GLU -8 1HB GLU -8 -1.503 -15.405 13.402 93 2HB GLU -8 2HB GLU -8 -2.087 -15.227 15.051 94 1HG GLU -8 1HG GLU -8 -1.103 -17.880 14.116 95 2HG GLU -8 2HG GLU -8 0.049 -16.620 14.555 96 H MET -7 H MET -7 -3.238 -15.373 11.586 97 HA MET -7 HA MET -7 -4.833 -13.094 12.196 98 1HB MET -7 1HB MET -7 -4.594 -12.541 9.820 99 2HB MET -7 2HB MET -7 -3.047 -12.969 10.539 100 1HG MET -7 1HG MET -7 -3.098 -15.129 9.521 101 2HG MET -7 2HG MET -7 -4.746 -14.874 8.949 102 1HE MET -7 1HE MET -7 -5.236 -12.953 6.729 103 2HE MET -7 2HE MET -7 -5.146 -14.713 6.807 104 3HE MET -7 3HE MET -7 -4.286 -13.842 5.537 105 H LYS -6 H LYS -6 -5.417 -16.228 10.798 106 HA LYS -6 HA LYS -6 -7.806 -15.810 9.456 107 1HB LYS -6 1HB LYS -6 -6.380 -17.937 9.614 108 2HB LYS -6 2HB LYS -6 -7.269 -18.280 11.092 109 1HG LYS -6 1HG LYS -6 -8.396 -19.473 9.438 110 2HG LYS -6 2HG LYS -6 -9.377 -18.026 9.679 111 1HD LYS -6 1HD LYS -6 -9.279 -17.913 7.425 112 2HD LYS -6 2HD LYS -6 -7.717 -17.157 7.743 113 1HE LYS -6 1HE LYS -6 -7.688 -20.096 7.645 114 2HE LYS -6 2HE LYS -6 -8.089 -19.301 6.122 115 1HZ LYS -6 1HZ LYS -6 -5.758 -18.402 7.682 116 2HZ LYS -6 2HZ LYS -6 -6.043 -18.275 6.020 117 3HZ LYS -6 3HZ LYS -6 -5.634 -19.771 6.695 118 H GLN -5 H GLN -5 -7.484 -16.969 12.835 119 HA GLN -5 HA GLN -5 -10.274 -16.407 13.301 120 1HB GLN -5 1HB GLN -5 -8.044 -17.591 14.885 121 2HB GLN -5 2HB GLN -5 -9.517 -17.088 15.697 122 1HG GLN -5 1HG GLN -5 -10.243 -19.150 15.263 123 2HG GLN -5 2HG GLN -5 -10.496 -18.561 13.621 124 1HE2 GLN -5 1HE2 GLN -5 -9.524 -19.616 12.040 125 2HE2 GLN -5 2HE2 GLN -5 -8.206 -20.719 12.218 126 H LEU -4 H LEU -4 -8.058 -14.312 12.874 127 HA LEU -4 HA LEU -4 -8.267 -12.763 15.318 128 1HB LEU -4 1HB LEU -4 -6.288 -13.007 13.417 129 2HB LEU -4 2HB LEU -4 -7.012 -11.459 13.029 130 HG LEU -4 HG LEU -4 -6.125 -12.116 15.825 131 1HD1 LEU -4 1HD1 LEU -4 -3.992 -11.169 15.404 132 2HD1 LEU -4 2HD1 LEU -4 -4.447 -10.712 13.763 133 3HD1 LEU -4 3HD1 LEU -4 -4.252 -12.414 14.183 134 1HD2 LEU -4 1HD2 LEU -4 -5.952 -9.647 15.954 135 2HD2 LEU -4 2HD2 LEU -4 -7.589 -10.218 15.630 136 3HD2 LEU -4 3HD2 LEU -4 -6.613 -9.550 14.322 137 H HIS -3 H HIS -3 -8.551 -11.872 11.935 138 HA HIS -3 HA HIS -3 -9.867 -10.331 10.874 139 1HB HIS -3 1HB HIS -3 -11.300 -12.454 11.304 140 2HB HIS -3 2HB HIS -3 -12.152 -11.446 12.473 141 HD1 HIS -3 HD1 HIS -3 -11.987 -12.240 8.914 142 HD2 HIS -3 HD2 HIS -3 -13.408 -9.114 11.254 143 HE1 HIS -3 HE1 HIS -3 -13.532 -10.934 7.423 144 HE2 HIS -3 HE2 HIS -3 -14.320 -9.003 8.836 145 H GLY -2 H GLY -2 -8.697 -9.433 13.377 146 1HA GLY -2 1HA GLY -2 -10.476 -7.156 13.821 147 2HA GLY -2 2HA GLY -2 -10.044 -8.114 15.229 148 H GLY -1 H GLY -1 -9.288 -5.788 15.734 149 1HA GLY -1 1HA GLY -1 -6.555 -5.393 14.695 150 2HA GLY -1 2HA GLY -1 -7.563 -4.124 15.377 151 H VAL 1 H VAL 1 -4.943 -4.568 16.204 152 HA VAL 1 HA VAL 1 -3.615 -5.012 18.010 153 HB VAL 1 HB VAL 1 -4.459 -4.187 20.128 154 1HG1 VAL 1 1HG1 VAL 1 -3.900 -2.620 18.243 155 2HG1 VAL 1 2HG1 VAL 1 -4.957 -1.960 19.489 156 3HG1 VAL 1 3HG1 VAL 1 -5.633 -2.481 17.945 157 1HG2 VAL 1 1HG2 VAL 1 -6.749 -3.645 20.532 158 2HG2 VAL 1 2HG2 VAL 1 -6.695 -5.310 19.956 159 3HG2 VAL 1 3HG2 VAL 1 -7.191 -4.016 18.865 160 H ASN 2 H ASN 2 -4.005 -5.982 20.529 161 HA ASN 2 HA ASN 2 -5.235 -8.624 20.151 162 1HB ASN 2 1HB ASN 2 -2.422 -7.966 20.858 163 2HB ASN 2 2HB ASN 2 -3.168 -9.316 21.709 164 1HD2 ASN 2 1HD2 ASN 2 -1.937 -10.886 20.768 165 2HD2 ASN 2 2HD2 ASN 2 -2.056 -11.311 19.097 166 H TYR 3 H TYR 3 -6.950 -7.469 21.362 167 HA TYR 3 HA TYR 3 -8.166 -7.195 23.263 168 1HB TYR 3 1HB TYR 3 -6.111 -9.157 24.014 169 2HB TYR 3 2HB TYR 3 -6.777 -8.265 25.377 170 HD1 TYR 3 HD1 TYR 3 -8.950 -8.729 26.195 171 HD2 TYR 3 HD2 TYR 3 -7.661 -10.453 22.525 172 HE1 TYR 3 HE1 TYR 3 -10.921 -10.199 26.201 173 HE2 TYR 3 HE2 TYR 3 -9.629 -11.928 22.521 174 HH TYR 3 HH TYR 3 -11.943 -11.915 23.514 175 H GLY 4 H GLY 4 -6.496 -5.109 22.448 176 1HA GLY 4 1HA GLY 4 -6.422 -2.997 23.644 177 2HA GLY 4 2HA GLY 4 -5.877 -3.882 25.060 178 H ASN 5 H ASN 5 -3.867 -5.436 24.037 179 HA ASN 5 HA ASN 5 -1.666 -5.437 23.491 180 1HB ASN 5 1HB ASN 5 -2.812 -4.491 21.360 181 2HB ASN 5 2HB ASN 5 -2.060 -2.976 21.848 182 1HD2 ASN 5 1HD2 ASN 5 -1.666 -5.730 20.066 183 2HD2 ASN 5 2HD2 ASN 5 0.052 -5.712 19.893 184 H GLY 6 H GLY 6 -2.997 -3.205 25.403 185 1HA GLY 6 1HA GLY 6 -2.180 -1.672 26.899 186 2HA GLY 6 2HA GLY 6 -0.626 -2.459 26.671 187 H VAL 7 H VAL 7 -2.586 -0.678 24.314 188 HA VAL 7 HA VAL 7 -0.279 1.076 23.852 189 HB VAL 7 HB VAL 7 -1.514 -0.313 22.003 190 1HG1 VAL 7 1HG1 VAL 7 -3.682 1.068 22.747 191 2HG1 VAL 7 2HG1 VAL 7 -3.445 0.435 21.119 192 3HG1 VAL 7 3HG1 VAL 7 -3.076 2.124 21.470 193 1HG2 VAL 7 1HG2 VAL 7 -0.049 2.156 22.006 194 2HG2 VAL 7 2HG2 VAL 7 -1.155 2.086 20.634 195 3HG2 VAL 7 3HG2 VAL 7 0.031 0.804 20.877 196 H SER 8 H SER 8 -1.708 3.135 22.543 197 HA SER 8 HA SER 8 -3.610 4.217 24.441 198 1HB SER 8 1HB SER 8 -0.797 5.176 24.233 199 2HB SER 8 2HB SER 8 -2.061 6.394 24.401 200 HG SER 8 HG SER 8 -2.545 5.652 26.364 201 H CYS 9 H CYS 9 -5.085 5.431 23.426 202 HA CYS 9 HA CYS 9 -4.434 6.420 20.726 203 1HB CYS 9 1HB CYS 9 -7.224 5.706 21.588 204 2HB CYS 9 2HB CYS 9 -6.581 5.859 19.958 205 H SER 10 H SER 10 -4.308 8.558 20.693 206 HA SER 10 HA SER 10 -6.424 10.171 21.807 207 1HB SER 10 1HB SER 10 -3.614 10.306 22.905 208 2HB SER 10 2HB SER 10 -4.773 11.625 23.078 209 HG SER 10 HG SER 10 -6.176 10.066 24.103 210 H LYS 11 H LYS 11 -6.873 11.539 20.221 211 HA LYS 11 HA LYS 11 -6.673 13.023 18.521 212 1HB LYS 11 1HB LYS 11 -5.119 14.018 20.282 213 2HB LYS 11 2HB LYS 11 -3.804 13.381 19.305 214 1HG LYS 11 1HG LYS 11 -4.795 14.677 17.368 215 2HG LYS 11 2HG LYS 11 -5.818 15.480 18.562 216 1HD LYS 11 1HD LYS 11 -4.143 16.785 19.265 217 2HD LYS 11 2HD LYS 11 -3.014 15.432 19.340 218 1HE LYS 11 1HE LYS 11 -3.811 16.642 16.717 219 2HE LYS 11 2HE LYS 11 -2.530 17.356 17.695 220 1HZ LYS 11 1HZ LYS 11 -1.187 15.514 17.432 221 2HZ LYS 11 2HZ LYS 11 -1.922 15.627 15.913 222 3HZ LYS 11 3HZ LYS 11 -2.470 14.486 17.034 223 H THR 12 H THR 12 -5.219 10.141 18.497 224 HA THR 12 HA THR 12 -4.663 10.290 15.682 225 HB THR 12 HB THR 12 -2.578 10.144 17.730 226 HG1 THR 12 HG1 THR 12 -2.445 10.577 14.934 227 1HG2 THR 12 1HG2 THR 12 -2.530 7.785 17.053 228 2HG2 THR 12 2HG2 THR 12 -1.089 8.661 16.538 229 3HG2 THR 12 3HG2 THR 12 -2.357 8.286 15.372 230 H LYS 13 H LYS 13 -4.214 8.058 14.787 231 HA LYS 13 HA LYS 13 -6.223 6.285 15.465 232 1HB LYS 13 1HB LYS 13 -3.726 6.112 13.872 233 2HB LYS 13 2HB LYS 13 -4.448 4.585 14.360 234 1HG LYS 13 1HG LYS 13 -5.626 4.800 12.471 235 2HG LYS 13 2HG LYS 13 -6.622 5.903 13.423 236 1HD LYS 13 1HD LYS 13 -5.594 7.799 12.517 237 2HD LYS 13 2HD LYS 13 -4.206 6.879 11.935 238 1HE LYS 13 1HE LYS 13 -6.240 5.670 10.602 239 2HE LYS 13 2HE LYS 13 -6.835 7.326 10.703 240 1HZ LYS 13 1HZ LYS 13 -5.229 8.082 9.335 241 2HZ LYS 13 2HZ LYS 13 -5.225 6.484 8.781 242 3HZ LYS 13 3HZ LYS 13 -4.059 6.996 9.895 243 H CYS 14 H CYS 14 -5.587 3.837 16.011 244 HA CYS 14 HA CYS 14 -4.411 3.975 18.682 245 1HB CYS 14 1HB CYS 14 -6.217 2.020 17.292 246 2HB CYS 14 2HB CYS 14 -5.350 1.552 18.752 247 H SER 15 H SER 15 -2.682 4.077 16.380 248 HA SER 15 HA SER 15 -0.829 2.031 17.145 249 1HB SER 15 1HB SER 15 -2.056 0.657 15.616 250 2HB SER 15 2HB SER 15 -2.115 1.941 14.411 251 HG SER 15 HG SER 15 -0.056 1.579 13.891 252 H VAL 16 H VAL 16 0.207 4.092 17.654 253 HA VAL 16 HA VAL 16 0.850 6.090 15.851 254 HB VAL 16 HB VAL 16 1.297 6.257 18.265 255 1HG1 VAL 16 1HG1 VAL 16 3.453 5.254 19.104 256 2HG1 VAL 16 2HG1 VAL 16 3.462 4.259 17.648 257 3HG1 VAL 16 3HG1 VAL 16 2.143 4.111 18.810 258 1HG2 VAL 16 1HG2 VAL 16 3.599 6.728 16.384 259 2HG2 VAL 16 2HG2 VAL 16 3.600 7.291 18.056 260 3HG2 VAL 16 3HG2 VAL 16 2.379 7.881 16.929 261 H ASN 17 H ASN 17 2.483 6.457 14.403 262 HA ASN 17 HA ASN 17 4.788 4.932 14.052 263 1HB ASN 17 1HB ASN 17 4.238 3.575 12.102 264 2HB ASN 17 2HB ASN 17 3.216 3.119 13.458 265 1HD2 ASN 17 1HD2 ASN 17 2.107 2.207 11.447 266 2HD2 ASN 17 2HD2 ASN 17 0.879 3.203 10.751 267 H TRP 18 H TRP 18 4.047 7.639 13.976 268 HA TRP 18 HA TRP 18 3.916 8.541 11.271 269 1HB TRP 18 1HB TRP 18 3.197 9.696 13.573 270 2HB TRP 18 2HB TRP 18 4.805 10.393 13.416 271 HD1 TRP 18 HD1 TRP 18 4.304 10.368 10.034 272 HE1 TRP 18 HE1 TRP 18 3.027 12.401 9.107 273 HE3 TRP 18 HE3 TRP 18 2.149 12.019 14.367 274 HZ2 TRP 18 HZ2 TRP 18 1.331 14.435 10.083 275 HZ3 TRP 18 HZ3 TRP 18 0.713 14.016 14.283 276 HH2 TRP 18 HH2 TRP 18 0.315 15.198 12.185 277 H GLY 19 H GLY 19 6.456 8.209 13.689 278 1HA GLY 19 1HA GLY 19 8.423 9.199 11.736 279 2HA GLY 19 2HA GLY 19 8.695 9.036 13.466 280 H GLN 20 H GLN 20 7.951 6.501 14.006 281 HA GLN 20 HA GLN 20 10.155 4.982 13.256 282 1HB GLN 20 1HB GLN 20 8.465 4.602 15.173 283 2HB GLN 20 2HB GLN 20 7.510 3.736 13.978 284 1HG GLN 20 1HG GLN 20 9.389 2.215 13.587 285 2HG GLN 20 2HG GLN 20 10.325 3.073 14.810 286 1HE2 GLN 20 1HE2 GLN 20 10.525 1.645 16.404 287 2HE2 GLN 20 2HE2 GLN 20 9.217 0.836 17.191 288 H ALA 21 H ALA 21 6.778 4.480 12.125 289 HA ALA 21 HA ALA 21 7.622 2.783 10.061 290 1HB ALA 21 1HB ALA 21 5.010 4.214 10.336 291 2HB ALA 21 2HB ALA 21 5.381 2.578 10.884 292 3HB ALA 21 3HB ALA 21 5.353 2.944 9.159 293 H PHE 22 H PHE 22 8.093 5.914 10.345 294 HA PHE 22 HA PHE 22 7.697 6.818 7.672 295 1HB PHE 22 1HB PHE 22 8.108 8.191 9.917 296 2HB PHE 22 2HB PHE 22 9.791 8.042 9.426 297 HD1 PHE 22 HD1 PHE 22 6.469 9.182 8.223 298 HD2 PHE 22 HD2 PHE 22 10.697 9.504 7.868 299 HE1 PHE 22 HE1 PHE 22 6.191 11.097 6.702 300 HE2 PHE 22 HE2 PHE 22 10.428 11.419 6.345 301 HZ PHE 22 HZ PHE 22 8.172 12.217 5.761 302 H GLN 23 H GLN 23 10.270 5.475 9.602 303 HA GLN 23 HA GLN 23 12.218 5.458 7.485 304 1HB GLN 23 1HB GLN 23 12.094 4.739 10.331 305 2HB GLN 23 2HB GLN 23 13.073 3.631 9.375 306 1HG GLN 23 1HG GLN 23 14.751 5.062 9.469 307 2HG GLN 23 2HG GLN 23 13.786 6.233 8.574 308 1HE2 GLN 23 1HE2 GLN 23 14.766 5.152 11.745 309 2HE2 GLN 23 2HE2 GLN 23 14.344 6.601 12.586 310 H GLU 24 H GLU 24 9.622 3.478 8.567 311 HA GLU 24 HA GLU 24 10.459 0.974 7.582 312 1HB GLU 24 1HB GLU 24 7.796 2.142 8.291 313 2HB GLU 24 2HB GLU 24 7.905 0.556 7.544 314 1HG GLU 24 1HG GLU 24 9.155 1.396 10.150 315 2HG GLU 24 2HG GLU 24 7.754 0.346 9.942 316 H ARG 25 H ARG 25 8.276 3.427 6.223 317 HA ARG 25 HA ARG 25 7.707 2.171 3.819 318 1HB ARG 25 1HB ARG 25 7.738 5.017 4.719 319 2HB ARG 25 2HB ARG 25 7.529 4.679 3.006 320 1HG ARG 25 1HG ARG 25 5.532 3.460 3.404 321 2HG ARG 25 2HG ARG 25 5.804 3.462 5.147 322 1HD ARG 25 1HD ARG 25 5.839 6.125 4.589 323 2HD ARG 25 2HD ARG 25 4.672 5.536 3.405 324 HE ARG 25 HE ARG 25 4.299 5.745 6.230 325 1HH1 ARG 25 1HH1 ARG 25 3.367 3.936 3.394 326 2HH1 ARG 25 2HH1 ARG 25 1.848 3.436 4.060 327 1HH2 ARG 25 1HH2 ARG 25 2.304 5.086 7.107 328 2HH2 ARG 25 2HH2 ARG 25 1.245 4.086 6.168 329 H TYR 26 H TYR 26 10.547 3.883 4.808 330 HA TYR 26 HA TYR 26 11.630 4.314 2.223 331 1HB TYR 26 1HB TYR 26 12.521 4.634 5.001 332 2HB TYR 26 2HB TYR 26 13.816 4.219 3.883 333 HD1 TYR 26 HD1 TYR 26 11.542 6.799 5.003 334 HD2 TYR 26 HD2 TYR 26 14.275 5.706 1.932 335 HE1 TYR 26 HE1 TYR 26 11.658 9.146 4.279 336 HE2 TYR 26 HE2 TYR 26 14.401 8.050 1.201 337 HH TYR 26 HH TYR 26 12.271 10.307 1.884 338 H THR 27 H THR 27 12.108 1.807 4.682 339 HA THR 27 HA THR 27 13.941 0.318 3.045 340 HB THR 27 HB THR 27 12.480 -0.536 5.551 341 HG1 THR 27 HG1 THR 27 15.038 0.642 5.219 342 1HG2 THR 27 1HG2 THR 27 14.276 -2.124 5.860 343 2HG2 THR 27 2HG2 THR 27 15.013 -1.614 4.340 344 3HG2 THR 27 3HG2 THR 27 13.445 -2.422 4.333 345 H ALA 28 H ALA 28 10.508 0.221 3.778 346 HA ALA 28 HA ALA 28 9.952 -2.311 2.673 347 1HB ALA 28 1HB ALA 28 8.428 -1.055 4.177 348 2HB ALA 28 2HB ALA 28 7.640 -1.654 2.716 349 3HB ALA 28 3HB ALA 28 8.084 0.049 2.844 350 H GLY 29 H GLY 29 10.250 0.890 1.275 351 1HA GLY 29 1HA GLY 29 9.139 0.193 -1.268 352 2HA GLY 29 2HA GLY 29 10.067 1.640 -0.898 353 H ILE 30 H ILE 30 12.493 0.807 -0.211 354 HA ILE 30 HA ILE 30 13.675 0.081 -2.659 355 HB ILE 30 HB ILE 30 14.948 -0.095 0.074 356 1HG1 ILE 30 1HG1 ILE 30 14.749 2.244 -1.837 357 2HG1 ILE 30 2HG1 ILE 30 13.968 2.119 -0.264 358 1HG2 ILE 30 1HG2 ILE 30 16.320 -1.183 -1.523 359 2HG2 ILE 30 2HG2 ILE 30 17.022 0.415 -1.265 360 3HG2 ILE 30 3HG2 ILE 30 16.067 0.094 -2.712 361 1HD1 ILE 30 1HD1 ILE 30 16.299 1.923 0.710 362 2HD1 ILE 30 2HD1 ILE 30 15.833 3.496 0.060 363 3HD1 ILE 30 3HD1 ILE 30 16.884 2.431 -0.874 364 H ASN 31 H ASN 31 12.618 -1.798 0.086 365 HA ASN 31 HA ASN 31 14.057 -4.153 -0.325 366 1HB ASN 31 1HB ASN 31 11.622 -3.366 1.109 367 2HB ASN 31 2HB ASN 31 11.609 -5.044 0.574 368 1HD2 ASN 31 1HD2 ASN 31 14.343 -3.050 1.576 369 2HD2 ASN 31 2HD2 ASN 31 14.791 -4.030 2.927 370 H SER 32 H SER 32 10.766 -3.372 -1.467 371 HA SER 32 HA SER 32 10.453 -5.664 -3.052 372 1HB SER 32 1HB SER 32 8.530 -4.325 -2.430 373 2HB SER 32 2HB SER 32 9.177 -2.930 -3.295 374 HG SER 32 HG SER 32 8.568 -5.394 -4.554 375 H PHE 33 H PHE 33 11.954 -2.570 -3.679 376 HA PHE 33 HA PHE 33 12.132 -2.752 -6.481 377 1HB PHE 33 1HB PHE 33 13.372 -1.124 -4.354 378 2HB PHE 33 2HB PHE 33 14.331 -1.287 -5.822 379 HD1 PHE 33 HD1 PHE 33 11.937 0.654 -4.235 380 HD2 PHE 33 HD2 PHE 33 12.894 -0.959 -8.054 381 HE1 PHE 33 HE1 PHE 33 10.584 2.406 -5.310 382 HE2 PHE 33 HE2 PHE 33 11.543 0.790 -9.136 383 HZ PHE 33 HZ PHE 33 10.387 2.476 -7.763 384 H VAL 34 H VAL 34 14.556 -3.500 -3.976 385 HA VAL 34 HA VAL 34 16.553 -4.469 -5.644 386 HB VAL 34 HB VAL 34 15.906 -5.471 -2.864 387 1HG1 VAL 34 1HG1 VAL 34 18.193 -6.153 -2.728 388 2HG1 VAL 34 2HG1 VAL 34 18.560 -5.422 -4.291 389 3HG1 VAL 34 3HG1 VAL 34 17.515 -6.840 -4.204 390 1HG2 VAL 34 1HG2 VAL 34 18.038 -3.486 -3.229 391 2HG2 VAL 34 2HG2 VAL 34 16.806 -3.615 -1.972 392 3HG2 VAL 34 3HG2 VAL 34 16.406 -2.888 -3.528 393 H SER 35 H SER 35 14.602 -6.682 -3.629 394 HA SER 35 HA SER 35 15.150 -8.941 -4.961 395 1HB SER 35 1HB SER 35 13.926 -8.923 -2.830 396 2HB SER 35 2HB SER 35 12.528 -8.233 -3.648 397 HG SER 35 HG SER 35 11.964 -10.170 -4.179 398 H GLY 36 H GLY 36 12.266 -6.991 -5.599 399 1HA GLY 36 1HA GLY 36 11.071 -8.342 -7.597 400 2HA GLY 36 2HA GLY 36 11.336 -6.603 -7.727 401 H VAL 37 H VAL 37 14.057 -6.508 -7.881 402 HA VAL 37 HA VAL 37 14.547 -7.489 -10.547 403 HB VAL 37 HB VAL 37 16.207 -5.609 -8.868 404 1HG1 VAL 37 1HG1 VAL 37 16.416 -5.453 -11.776 405 2HG1 VAL 37 2HG1 VAL 37 16.954 -6.998 -11.119 406 3HG1 VAL 37 3HG1 VAL 37 17.681 -5.497 -10.549 407 1HG2 VAL 37 1HG2 VAL 37 15.150 -3.801 -9.906 408 2HG2 VAL 37 2HG2 VAL 37 13.826 -4.894 -9.502 409 3HG2 VAL 37 3HG2 VAL 37 14.432 -4.816 -11.156 410 H ALA 38 H ALA 38 16.639 -7.118 -7.704 411 HA ALA 38 HA ALA 38 18.295 -9.288 -8.523 412 1HB ALA 38 1HB ALA 38 18.796 -6.963 -7.250 413 2HB ALA 38 2HB ALA 38 19.886 -8.349 -7.260 414 3HB ALA 38 3HB ALA 38 18.797 -8.094 -5.890 415 H SER 39 H SER 39 17.159 -8.552 -5.311 416 HA SER 39 HA SER 39 17.429 -11.116 -4.318 417 1HB SER 39 1HB SER 39 17.235 -8.704 -3.261 418 2HB SER 39 2HB SER 39 15.596 -9.274 -2.951 419 HG SER 39 HG SER 39 16.509 -11.094 -1.901 420 H GLY 40 H GLY 40 15.276 -10.511 -6.592 421 1HA GLY 40 1HA GLY 40 13.431 -12.529 -5.546 422 2HA GLY 40 2HA GLY 40 12.758 -11.006 -6.108 423 H ALA 41 H ALA 41 13.596 -10.381 -8.386 424 HA ALA 41 HA ALA 41 13.495 -10.811 -10.617 425 1HB ALA 41 1HB ALA 41 15.626 -12.128 -9.721 426 2HB ALA 41 2HB ALA 41 15.113 -12.198 -11.407 427 3HB ALA 41 3HB ALA 41 14.689 -13.504 -10.301 428 H GLY 42 H GLY 42 11.266 -11.672 -8.929 429 1HA GLY 42 1HA GLY 42 9.278 -12.793 -9.163 430 2HA GLY 42 2HA GLY 42 9.708 -12.985 -10.855 431 H SER 43 H SER 43 10.864 -14.294 -7.742 432 HA SER 43 HA SER 43 11.456 -16.836 -8.910 433 1HB SER 43 1HB SER 43 11.741 -17.474 -6.414 434 2HB SER 43 2HB SER 43 12.853 -16.294 -7.108 435 HG SER 43 HG SER 43 10.705 -15.894 -5.338 436 H ILE 44 H ILE 44 8.729 -15.431 -7.330 437 HA ILE 44 HA ILE 44 7.074 -17.660 -8.007 438 HB ILE 44 HB ILE 44 8.109 -18.478 -5.911 439 1HG1 ILE 44 1HG1 ILE 44 5.690 -18.561 -4.689 440 2HG1 ILE 44 2HG1 ILE 44 5.209 -18.058 -6.307 441 1HG2 ILE 44 1HG2 ILE 44 7.516 -15.825 -5.025 442 2HG2 ILE 44 2HG2 ILE 44 8.457 -17.083 -4.224 443 3HG2 ILE 44 3HG2 ILE 44 6.715 -16.990 -3.971 444 1HD1 ILE 44 1HD1 ILE 44 5.076 -20.348 -6.435 445 2HD1 ILE 44 2HD1 ILE 44 6.497 -20.595 -5.421 446 3HD1 ILE 44 3HD1 ILE 44 6.686 -20.037 -7.083 447 H GLY 45 H GLY 45 6.811 -15.170 -8.909 448 1HA GLY 45 1HA GLY 45 4.522 -14.185 -9.077 449 2HA GLY 45 2HA GLY 45 4.587 -14.032 -7.327 450 H ARG 46 H ARG 46 6.273 -12.612 -6.433 451 HA ARG 46 HA ARG 46 6.817 -10.365 -8.259 452 1HB ARG 46 1HB ARG 46 6.749 -8.906 -6.286 453 2HB ARG 46 2HB ARG 46 5.235 -9.776 -6.495 454 1HG ARG 46 1HG ARG 46 5.956 -11.388 -4.776 455 2HG ARG 46 2HG ARG 46 7.422 -10.436 -4.533 456 1HD ARG 46 1HD ARG 46 6.138 -8.545 -3.797 457 2HD ARG 46 2HD ARG 46 4.627 -9.353 -4.211 458 HE ARG 46 HE ARG 46 5.797 -11.022 -2.408 459 1HH1 ARG 46 1HH1 ARG 46 4.952 -7.637 -2.395 460 2HH1 ARG 46 2HH1 ARG 46 4.683 -7.582 -0.686 461 1HH2 ARG 46 1HH2 ARG 46 5.442 -10.952 -0.159 462 2HH2 ARG 46 2HH2 ARG 46 4.961 -9.463 0.584 Start of MODEL 4 1 1H MET -18 1H MET -18 -13.468 10.881 -8.655 2 2H MET -18 2H MET -18 -12.810 9.910 -7.402 3 3H MET -18 3H MET -18 -14.335 10.668 -7.192 4 HA MET -18 HA MET -18 -15.034 9.365 -9.218 5 1HB MET -18 1HB MET -18 -13.787 7.294 -9.551 6 2HB MET -18 2HB MET -18 -12.745 8.686 -9.811 7 1HG MET -18 1HG MET -18 -12.479 8.020 -7.102 8 2HG MET -18 2HG MET -18 -12.447 6.497 -7.986 9 1HE MET -18 1HE MET -18 -10.294 5.945 -9.893 10 2HE MET -18 2HE MET -18 -10.482 5.521 -8.192 11 3HE MET -18 3HE MET -18 -8.947 6.162 -8.776 12 H ASN -17 H ASN -17 -16.859 9.050 -8.067 13 HA ASN -17 HA ASN -17 -16.772 7.657 -5.517 14 1HB ASN -17 1HB ASN -17 -18.899 9.114 -7.054 15 2HB ASN -17 2HB ASN -17 -19.344 8.034 -5.737 16 1HD2 ASN -17 1HD2 ASN -17 -16.873 10.514 -6.337 17 2HD2 ASN -17 2HD2 ASN -17 -17.110 11.351 -4.844 18 H SER -16 H SER -16 -16.032 5.620 -6.378 19 HA SER -16 HA SER -16 -17.862 4.155 -8.098 20 1HB SER -16 1HB SER -16 -16.058 2.306 -7.638 21 2HB SER -16 2HB SER -16 -15.676 3.658 -8.704 22 HG SER -16 HG SER -16 -15.053 3.544 -5.937 23 H VAL -15 H VAL -15 -19.072 2.397 -7.497 24 HA VAL -15 HA VAL -15 -19.507 2.102 -4.623 25 HB VAL -15 HB VAL -15 -21.152 0.887 -6.840 26 1HG1 VAL -15 1HG1 VAL -15 -22.572 0.173 -5.252 27 2HG1 VAL -15 2HG1 VAL -15 -22.386 1.635 -4.284 28 3HG1 VAL -15 3HG1 VAL -15 -21.184 0.349 -4.178 29 1HG2 VAL -15 1HG2 VAL -15 -21.595 3.036 -7.380 30 2HG2 VAL -15 2HG2 VAL -15 -21.063 3.652 -5.815 31 3HG2 VAL -15 3HG2 VAL -15 -22.669 2.940 -5.984 32 H LYS -14 H LYS -14 -18.184 0.445 -7.328 33 HA LYS -14 HA LYS -14 -18.234 -2.152 -6.038 34 1HB LYS -14 1HB LYS -14 -18.447 -2.041 -8.479 35 2HB LYS -14 2HB LYS -14 -16.896 -1.222 -8.590 36 1HG LYS -14 1HG LYS -14 -16.269 -3.507 -7.209 37 2HG LYS -14 2HG LYS -14 -17.504 -4.057 -8.343 38 1HD LYS -14 1HD LYS -14 -15.663 -4.295 -9.668 39 2HD LYS -14 2HD LYS -14 -16.055 -2.614 -10.035 40 1HE LYS -14 1HE LYS -14 -14.422 -1.840 -8.436 41 2HE LYS -14 2HE LYS -14 -14.093 -3.495 -7.922 42 1HZ LYS -14 1HZ LYS -14 -13.181 -2.071 -10.281 43 2HZ LYS -14 2HZ LYS -14 -13.617 -3.686 -10.529 44 3HZ LYS -14 3HZ LYS -14 -12.424 -3.299 -9.395 45 H GLU -13 H GLU -13 -16.037 0.499 -6.643 46 HA GLU -13 HA GLU -13 -13.756 -0.851 -5.565 47 1HB GLU -13 1HB GLU -13 -14.046 1.289 -7.226 48 2HB GLU -13 2HB GLU -13 -13.700 2.090 -5.700 49 1HG GLU -13 1HG GLU -13 -11.588 1.157 -5.539 50 2HG GLU -13 2HG GLU -13 -11.973 -0.153 -6.653 51 H LEU -12 H LEU -12 -16.185 1.396 -4.483 52 HA LEU -12 HA LEU -12 -14.959 1.889 -1.936 53 1HB LEU -12 1HB LEU -12 -16.426 3.546 -2.974 54 2HB LEU -12 2HB LEU -12 -17.765 2.416 -2.911 55 HG LEU -12 HG LEU -12 -17.073 2.508 -0.287 56 1HD1 LEU -12 1HD1 LEU -12 -16.642 4.798 0.342 57 2HD1 LEU -12 2HD1 LEU -12 -16.629 5.292 -1.352 58 3HD1 LEU -12 3HD1 LEU -12 -15.365 4.228 -0.734 59 1HD2 LEU -12 1HD2 LEU -12 -18.928 4.290 -0.162 60 2HD2 LEU -12 2HD2 LEU -12 -19.317 2.720 -0.866 61 3HD2 LEU -12 3HD2 LEU -12 -19.016 4.106 -1.913 62 H ASN -11 H ASN -11 -17.061 -0.505 -3.255 63 HA ASN -11 HA ASN -11 -18.176 -1.373 -0.782 64 1HB ASN -11 1HB ASN -11 -18.223 -2.293 -3.593 65 2HB ASN -11 2HB ASN -11 -18.488 -3.532 -2.370 66 1HD2 ASN -11 1HD2 ASN -11 -20.614 -3.759 -3.185 67 2HD2 ASN -11 2HD2 ASN -11 -21.851 -2.632 -2.754 68 H VAL -10 H VAL -10 -15.242 -1.969 -2.476 69 HA VAL -10 HA VAL -10 -14.597 -4.452 -1.218 70 HB VAL -10 HB VAL -10 -12.658 -2.515 -2.476 71 1HG1 VAL -10 1HG1 VAL -10 -11.133 -4.202 -2.499 72 2HG1 VAL -10 2HG1 VAL -10 -12.361 -5.460 -2.630 73 3HG1 VAL -10 3HG1 VAL -10 -12.049 -4.691 -1.074 74 1HG2 VAL -10 1HG2 VAL -10 -13.832 -2.795 -4.362 75 2HG2 VAL -10 2HG2 VAL -10 -14.769 -4.128 -3.688 76 3HG2 VAL -10 3HG2 VAL -10 -13.171 -4.430 -4.370 77 H LYS -9 H LYS -9 -13.560 -1.086 -0.716 78 HA LYS -9 HA LYS -9 -11.712 -1.456 1.292 79 1HB LYS -9 1HB LYS -9 -11.949 0.822 1.801 80 2HB LYS -9 2HB LYS -9 -12.403 0.702 0.109 81 1HG LYS -9 1HG LYS -9 -14.820 0.440 1.201 82 2HG LYS -9 2HG LYS -9 -14.039 1.384 2.471 83 1HD LYS -9 1HD LYS -9 -13.757 2.227 -0.381 84 2HD LYS -9 2HD LYS -9 -15.250 2.585 0.488 85 1HE LYS -9 1HE LYS -9 -14.136 4.457 1.078 86 2HE LYS -9 2HE LYS -9 -13.448 3.399 2.310 87 1HZ LYS -9 1HZ LYS -9 -11.440 3.551 1.394 88 2HZ LYS -9 2HZ LYS -9 -12.044 4.839 0.479 89 3HZ LYS -9 3HZ LYS -9 -12.021 3.277 -0.172 90 H GLU -8 H GLU -8 -15.213 -1.400 1.526 91 HA GLU -8 HA GLU -8 -15.528 -1.252 4.279 92 1HB GLU -8 1HB GLU -8 -17.139 -2.274 2.024 93 2HB GLU -8 2HB GLU -8 -17.574 -2.884 3.615 94 1HG GLU -8 1HG GLU -8 -18.890 -1.064 3.628 95 2HG GLU -8 2HG GLU -8 -17.414 -0.278 4.185 96 H MET -7 H MET -7 -15.981 -4.260 2.518 97 HA MET -7 HA MET -7 -15.658 -5.964 4.684 98 1HB MET -7 1HB MET -7 -15.180 -7.729 2.960 99 2HB MET -7 2HB MET -7 -16.651 -6.805 2.686 100 1HG MET -7 1HG MET -7 -15.549 -5.478 0.998 101 2HG MET -7 2HG MET -7 -14.021 -6.293 1.318 102 1HE MET -7 1HE MET -7 -13.323 -8.467 -0.388 103 2HE MET -7 2HE MET -7 -14.428 -9.790 -0.011 104 3HE MET -7 3HE MET -7 -13.784 -8.783 1.285 105 H LYS -6 H LYS -6 -13.268 -4.324 2.792 106 HA LYS -6 HA LYS -6 -11.039 -5.938 3.123 107 1HB LYS -6 1HB LYS -6 -11.496 -3.457 2.063 108 2HB LYS -6 2HB LYS -6 -10.516 -3.064 3.467 109 1HG LYS -6 1HG LYS -6 -8.753 -4.516 2.702 110 2HG LYS -6 2HG LYS -6 -9.749 -5.062 1.351 111 1HD LYS -6 1HD LYS -6 -9.533 -2.173 1.430 112 2HD LYS -6 2HD LYS -6 -7.949 -2.943 1.346 113 1HE LYS -6 1HE LYS -6 -10.087 -3.945 -0.458 114 2HE LYS -6 2HE LYS -6 -9.359 -2.382 -0.828 115 1HZ LYS -6 1HZ LYS -6 -8.055 -3.900 -1.975 116 2HZ LYS -6 2HZ LYS -6 -8.069 -5.035 -0.721 117 3HZ LYS -6 3HZ LYS -6 -7.155 -3.620 -0.569 118 H GLN -5 H GLN -5 -12.021 -3.225 5.246 119 HA GLN -5 HA GLN -5 -10.175 -4.120 7.274 120 1HB GLN -5 1HB GLN -5 -12.076 -1.833 7.000 121 2HB GLN -5 2HB GLN -5 -11.334 -2.195 8.551 122 1HG GLN -5 1HG GLN -5 -9.429 -1.224 7.963 123 2HG GLN -5 2HG GLN -5 -9.363 -2.118 6.446 124 1HE2 GLN -5 1HE2 GLN -5 -9.529 -0.984 4.652 125 2HE2 GLN -5 2HE2 GLN -5 -10.176 0.612 4.514 126 H LEU -4 H LEU -4 -12.746 -5.564 6.396 127 HA LEU -4 HA LEU -4 -14.204 -5.709 8.897 128 1HB LEU -4 1HB LEU -4 -15.352 -5.704 6.653 129 2HB LEU -4 2HB LEU -4 -14.682 -7.301 6.386 130 HG LEU -4 HG LEU -4 -15.892 -8.071 8.448 131 1HD1 LEU -4 1HD1 LEU -4 -17.923 -6.485 8.915 132 2HD1 LEU -4 2HD1 LEU -4 -16.810 -5.240 8.349 133 3HD1 LEU -4 3HD1 LEU -4 -16.381 -6.240 9.737 134 1HD2 LEU -4 1HD2 LEU -4 -17.152 -7.185 5.921 135 2HD2 LEU -4 2HD2 LEU -4 -18.232 -7.660 7.233 136 3HD2 LEU -4 3HD2 LEU -4 -17.028 -8.797 6.625 137 H HIS -3 H HIS -3 -13.072 -8.198 6.692 138 HA HIS -3 HA HIS -3 -12.295 -10.316 7.064 139 1HB HIS -3 1HB HIS -3 -10.312 -8.786 7.412 140 2HB HIS -3 2HB HIS -3 -10.590 -8.945 9.145 141 HD1 HIS -3 HD1 HIS -3 -9.989 -11.205 10.240 142 HD2 HIS -3 HD2 HIS -3 -9.204 -11.035 6.164 143 HE1 HIS -3 HE1 HIS -3 -8.554 -13.210 9.747 144 HE2 HIS -3 HE2 HIS -3 -7.994 -13.018 7.298 145 H GLY -2 H GLY -2 -14.608 -9.562 8.652 146 1HA GLY -2 1HA GLY -2 -15.484 -11.529 10.018 147 2HA GLY -2 2HA GLY -2 -14.143 -11.157 11.092 148 H GLY -1 H GLY -1 -16.051 -11.046 12.611 149 1HA GLY -1 1HA GLY -1 -17.637 -8.615 12.403 150 2HA GLY -1 2HA GLY -1 -17.791 -9.858 13.635 151 H VAL 1 H VAL 1 -16.577 -6.789 12.891 152 HA VAL 1 HA VAL 1 -15.421 -6.587 15.568 153 HB VAL 1 HB VAL 1 -13.512 -7.031 14.090 154 1HG1 VAL 1 1HG1 VAL 1 -13.689 -4.436 12.716 155 2HG1 VAL 1 2HG1 VAL 1 -14.851 -5.654 12.188 156 3HG1 VAL 1 3HG1 VAL 1 -13.122 -5.998 12.128 157 1HG2 VAL 1 1HG2 VAL 1 -13.330 -5.512 16.067 158 2HG2 VAL 1 2HG2 VAL 1 -13.511 -4.148 14.965 159 3HG2 VAL 1 3HG2 VAL 1 -12.124 -5.225 14.814 160 H ASN 2 H ASN 2 -15.600 -4.568 16.500 161 HA ASN 2 HA ASN 2 -16.525 -2.315 14.930 162 1HB ASN 2 1HB ASN 2 -18.522 -3.832 15.729 163 2HB ASN 2 2HB ASN 2 -18.241 -3.037 17.275 164 1HD2 ASN 2 1HD2 ASN 2 -20.167 -1.938 17.267 165 2HD2 ASN 2 2HD2 ASN 2 -20.500 -0.633 16.186 166 H TYR 3 H TYR 3 -14.186 -2.189 15.973 167 HA TYR 3 HA TYR 3 -12.800 -1.059 17.377 168 1HB TYR 3 1HB TYR 3 -14.952 0.581 16.986 169 2HB TYR 3 2HB TYR 3 -14.921 0.464 18.742 170 HD1 TYR 3 HD1 TYR 3 -12.005 0.286 19.240 171 HD2 TYR 3 HD2 TYR 3 -14.200 2.748 16.553 172 HE1 TYR 3 HE1 TYR 3 -10.211 1.965 19.322 173 HE2 TYR 3 HE2 TYR 3 -12.411 4.433 16.626 174 HH TYR 3 HH TYR 3 -9.889 4.339 18.925 175 H GLY 4 H GLY 4 -12.471 -3.076 18.519 176 1HA GLY 4 1HA GLY 4 -13.922 -3.365 21.045 177 2HA GLY 4 2HA GLY 4 -12.839 -4.551 20.332 178 H ASN 5 H ASN 5 -10.744 -4.602 20.950 179 HA ASN 5 HA ASN 5 -9.938 -2.638 22.977 180 1HB ASN 5 1HB ASN 5 -10.000 -5.237 23.355 181 2HB ASN 5 2HB ASN 5 -8.455 -5.196 22.511 182 1HD2 ASN 5 1HD2 ASN 5 -6.793 -5.141 23.818 183 2HD2 ASN 5 2HD2 ASN 5 -6.727 -4.371 25.362 184 H GLY 6 H GLY 6 -9.234 -3.770 19.816 185 1HA GLY 6 1HA GLY 6 -7.792 -1.839 18.778 186 2HA GLY 6 2HA GLY 6 -6.571 -2.554 19.820 187 H VAL 7 H VAL 7 -9.091 -4.085 17.846 188 HA VAL 7 HA VAL 7 -8.957 -5.899 16.459 189 HB VAL 7 HB VAL 7 -8.286 -3.708 15.167 190 1HG1 VAL 7 1HG1 VAL 7 -5.772 -4.411 15.779 191 2HG1 VAL 7 2HG1 VAL 7 -6.204 -3.484 14.344 192 3HG1 VAL 7 3HG1 VAL 7 -5.948 -5.225 14.225 193 1HG2 VAL 7 1HG2 VAL 7 -7.683 -5.908 13.399 194 2HG2 VAL 7 2HG2 VAL 7 -9.083 -4.836 13.433 195 3HG2 VAL 7 3HG2 VAL 7 -9.047 -6.271 14.458 196 H SER 8 H SER 8 -6.815 -6.874 14.912 197 HA SER 8 HA SER 8 -4.833 -7.764 16.873 198 1HB SER 8 1HB SER 8 -6.758 -9.510 15.369 199 2HB SER 8 2HB SER 8 -5.166 -10.128 15.810 200 HG SER 8 HG SER 8 -5.854 -10.354 17.774 201 H CYS 9 H CYS 9 -2.885 -7.451 16.045 202 HA CYS 9 HA CYS 9 -2.277 -6.608 13.508 203 1HB CYS 9 1HB CYS 9 0.054 -7.696 14.020 204 2HB CYS 9 2HB CYS 9 -0.515 -6.326 14.959 205 H SER 10 H SER 10 -0.698 -7.840 11.998 206 HA SER 10 HA SER 10 -1.052 -10.644 11.680 207 1HB SER 10 1HB SER 10 -2.203 -10.384 9.396 208 2HB SER 10 2HB SER 10 -3.210 -10.236 10.834 209 HG SER 10 HG SER 10 -3.549 -8.196 10.393 210 H LYS 11 H LYS 11 0.943 -11.117 11.085 211 HA LYS 11 HA LYS 11 2.920 -11.153 9.972 212 1HB LYS 11 1HB LYS 11 1.077 -11.126 8.096 213 2HB LYS 11 2HB LYS 11 1.772 -9.549 7.752 214 1HG LYS 11 1HG LYS 11 3.214 -10.648 6.455 215 2HG LYS 11 2HG LYS 11 3.991 -11.150 7.958 216 1HD LYS 11 1HD LYS 11 2.352 -13.106 7.954 217 2HD LYS 11 2HD LYS 11 2.007 -12.663 6.280 218 1HE LYS 11 1HE LYS 11 3.666 -14.236 6.005 219 2HE LYS 11 2HE LYS 11 4.600 -12.741 6.022 220 1HZ LYS 11 1HZ LYS 11 4.417 -14.841 8.059 221 2HZ LYS 11 2HZ LYS 11 4.700 -13.253 8.567 222 3HZ LYS 11 3HZ LYS 11 5.774 -14.001 7.497 223 H THR 12 H THR 12 1.750 -8.479 11.287 224 HA THR 12 HA THR 12 4.215 -7.042 10.954 225 HB THR 12 HB THR 12 1.697 -6.244 9.692 226 HG1 THR 12 HG1 THR 12 4.435 -5.633 9.391 227 1HG2 THR 12 1HG2 THR 12 1.975 -3.858 9.969 228 2HG2 THR 12 2HG2 THR 12 3.297 -4.122 11.105 229 3HG2 THR 12 3HG2 THR 12 1.659 -4.620 11.527 230 H LYS 13 H LYS 13 4.302 -5.122 12.458 231 HA LYS 13 HA LYS 13 3.759 -5.874 15.065 232 1HB LYS 13 1HB LYS 13 5.016 -3.727 13.807 233 2HB LYS 13 2HB LYS 13 3.748 -2.983 14.772 234 1HG LYS 13 1HG LYS 13 5.794 -3.089 16.038 235 2HG LYS 13 2HG LYS 13 4.591 -4.162 16.757 236 1HD LYS 13 1HD LYS 13 5.753 -5.929 15.163 237 2HD LYS 13 2HD LYS 13 7.112 -4.814 15.319 238 1HE LYS 13 1HE LYS 13 5.610 -6.048 17.625 239 2HE LYS 13 2HE LYS 13 7.148 -6.633 16.995 240 1HZ LYS 13 1HZ LYS 13 6.824 -3.848 17.928 241 2HZ LYS 13 2HZ LYS 13 8.252 -4.732 17.726 242 3HZ LYS 13 3HZ LYS 13 7.205 -5.098 19.003 243 H CYS 14 H CYS 14 2.264 -5.087 16.637 244 HA CYS 14 HA CYS 14 -0.374 -4.523 15.481 245 1HB CYS 14 1HB CYS 14 -0.213 -5.078 18.373 246 2HB CYS 14 2HB CYS 14 -1.300 -5.737 17.158 247 H SER 15 H SER 15 1.510 -2.404 15.635 248 HA SER 15 HA SER 15 0.029 -0.603 17.400 249 1HB SER 15 1HB SER 15 2.834 -1.372 17.725 250 2HB SER 15 2HB SER 15 2.604 0.373 17.624 251 HG SER 15 HG SER 15 1.995 0.243 19.620 252 H VAL 16 H VAL 16 0.005 1.563 16.746 253 HA VAL 16 HA VAL 16 0.629 1.943 13.917 254 HB VAL 16 HB VAL 16 -1.644 2.490 14.677 255 1HG1 VAL 16 1HG1 VAL 16 -0.173 3.978 16.712 256 2HG1 VAL 16 2HG1 VAL 16 -1.817 3.343 16.736 257 3HG1 VAL 16 3HG1 VAL 16 -1.484 4.897 15.972 258 1HG2 VAL 16 1HG2 VAL 16 -0.532 3.695 12.777 259 2HG2 VAL 16 2HG2 VAL 16 -0.187 5.009 13.902 260 3HG2 VAL 16 3HG2 VAL 16 -1.857 4.572 13.542 261 H ASN 17 H ASN 17 1.562 4.012 13.208 262 HA ASN 17 HA ASN 17 2.826 5.833 14.903 263 1HB ASN 17 1HB ASN 17 4.179 3.376 14.860 264 2HB ASN 17 2HB ASN 17 5.115 4.435 13.810 265 1HD2 ASN 17 1HD2 ASN 17 6.154 3.471 16.152 266 2HD2 ASN 17 2HD2 ASN 17 6.344 4.767 17.278 267 H TRP 18 H TRP 18 2.241 7.359 13.436 268 HA TRP 18 HA TRP 18 2.716 7.099 10.645 269 1HB TRP 18 1HB TRP 18 1.017 8.613 12.064 270 2HB TRP 18 2HB TRP 18 2.290 9.799 11.795 271 HD1 TRP 18 HD1 TRP 18 3.005 8.666 8.792 272 HE1 TRP 18 HE1 TRP 18 1.412 9.305 6.876 273 HE3 TRP 18 HE3 TRP 18 -1.137 9.857 11.542 274 HZ2 TRP 18 HZ2 TRP 18 -1.248 10.197 6.569 275 HZ3 TRP 18 HZ3 TRP 18 -3.165 10.595 10.360 276 HH2 TRP 18 HH2 TRP 18 -3.218 10.761 7.925 277 H GLY 19 H GLY 19 4.863 7.630 13.097 278 1HA GLY 19 1HA GLY 19 6.606 9.287 11.382 279 2HA GLY 19 2HA GLY 19 6.688 9.270 13.138 280 H GLN 20 H GLN 20 6.717 6.679 13.803 281 HA GLN 20 HA GLN 20 9.353 5.887 13.296 282 1HB GLN 20 1HB GLN 20 7.692 5.193 15.191 283 2HB GLN 20 2HB GLN 20 7.237 3.907 14.082 284 1HG GLN 20 1HG GLN 20 9.352 2.927 14.161 285 2HG GLN 20 2HG GLN 20 10.097 4.376 14.832 286 1HE2 GLN 20 1HE2 GLN 20 9.431 1.368 15.604 287 2HE2 GLN 20 2HE2 GLN 20 9.071 1.517 17.287 288 H ALA 21 H ALA 21 6.408 4.114 12.252 289 HA ALA 21 HA ALA 21 7.855 2.654 10.350 290 1HB ALA 21 1HB ALA 21 4.944 2.944 9.964 291 2HB ALA 21 2HB ALA 21 5.521 2.166 11.438 292 3HB ALA 21 3HB ALA 21 5.964 1.508 9.861 293 H PHE 22 H PHE 22 7.185 5.754 10.270 294 HA PHE 22 HA PHE 22 6.530 6.109 7.511 295 1HB PHE 22 1HB PHE 22 6.055 7.876 9.209 296 2HB PHE 22 2HB PHE 22 7.786 8.098 9.422 297 HD1 PHE 22 HD1 PHE 22 5.088 8.286 6.879 298 HD2 PHE 22 HD2 PHE 22 8.965 9.573 8.074 299 HE1 PHE 22 HE1 PHE 22 5.107 9.922 5.041 300 HE2 PHE 22 HE2 PHE 22 8.990 11.211 6.239 301 HZ PHE 22 HZ PHE 22 7.060 11.387 4.720 302 H GLN 23 H GLN 23 9.353 6.104 9.560 303 HA GLN 23 HA GLN 23 11.246 6.568 7.458 304 1HB GLN 23 1HB GLN 23 11.284 6.096 10.360 305 2HB GLN 23 2HB GLN 23 12.634 5.346 9.512 306 1HG GLN 23 1HG GLN 23 11.981 8.182 8.909 307 2HG GLN 23 2HG GLN 23 12.783 7.800 10.432 308 1HE2 GLN 23 1HE2 GLN 23 13.015 7.332 6.940 309 2HE2 GLN 23 2HE2 GLN 23 14.741 7.278 6.882 310 H GLU 24 H GLU 24 9.504 3.887 8.732 311 HA GLU 24 HA GLU 24 11.218 1.780 7.961 312 1HB GLU 24 1HB GLU 24 8.300 1.957 8.613 313 2HB GLU 24 2HB GLU 24 8.993 0.459 8.011 314 1HG GLU 24 1HG GLU 24 9.840 1.931 10.496 315 2HG GLU 24 2HG GLU 24 8.875 0.458 10.432 316 H ARG 25 H ARG 25 8.676 3.566 6.333 317 HA ARG 25 HA ARG 25 8.228 1.948 4.134 318 1HB ARG 25 1HB ARG 25 8.020 4.876 4.639 319 2HB ARG 25 2HB ARG 25 7.897 4.315 2.977 320 1HG ARG 25 1HG ARG 25 6.032 2.882 3.573 321 2HG ARG 25 2HG ARG 25 6.177 3.372 5.262 322 1HD ARG 25 1HD ARG 25 5.940 5.590 3.355 323 2HD ARG 25 2HD ARG 25 4.528 4.538 3.439 324 HE ARG 25 HE ARG 25 5.440 6.375 5.444 325 1HH1 ARG 25 1HH1 ARG 25 3.639 3.440 4.880 326 2HH1 ARG 25 2HH1 ARG 25 2.691 3.597 6.322 327 1HH2 ARG 25 1HH2 ARG 25 4.195 6.582 7.341 328 2HH2 ARG 25 2HH2 ARG 25 3.007 5.380 7.719 329 H TYR 26 H TYR 26 10.938 3.970 4.863 330 HA TYR 26 HA TYR 26 12.026 4.198 2.274 331 1HB TYR 26 1HB TYR 26 12.665 5.425 4.484 332 2HB TYR 26 2HB TYR 26 13.741 4.055 4.735 333 HD1 TYR 26 HD1 TYR 26 12.842 6.211 1.807 334 HD2 TYR 26 HD2 TYR 26 15.926 4.548 4.219 335 HE1 TYR 26 HE1 TYR 26 14.530 7.286 0.379 336 HE2 TYR 26 HE2 TYR 26 17.624 5.619 2.798 337 HH TYR 26 HH TYR 26 16.874 8.029 0.539 338 H THR 27 H THR 27 12.660 1.907 4.911 339 HA THR 27 HA THR 27 14.513 0.336 3.433 340 HB THR 27 HB THR 27 12.879 -0.355 5.885 341 HG1 THR 27 HG1 THR 27 14.189 1.146 6.610 342 1HG2 THR 27 1HG2 THR 27 13.659 -2.419 5.622 343 2HG2 THR 27 2HG2 THR 27 15.233 -1.748 6.048 344 3HG2 THR 27 3HG2 THR 27 14.781 -1.929 4.353 345 H ALA 28 H ALA 28 11.044 0.134 4.039 346 HA ALA 28 HA ALA 28 10.618 -2.398 2.881 347 1HB ALA 28 1HB ALA 28 8.779 -1.831 4.071 348 2HB ALA 28 2HB ALA 28 8.238 -1.222 2.506 349 3HB ALA 28 3HB ALA 28 8.930 -0.115 3.692 350 H GLY 29 H GLY 29 10.833 0.831 1.534 351 1HA GLY 29 1HA GLY 29 9.749 0.257 -1.016 352 2HA GLY 29 2HA GLY 29 10.818 1.599 -0.632 353 H ILE 30 H ILE 30 13.127 0.412 0.099 354 HA ILE 30 HA ILE 30 14.310 -0.268 -2.346 355 HB ILE 30 HB ILE 30 15.379 -0.929 0.400 356 1HG1 ILE 30 1HG1 ILE 30 15.625 1.595 -1.250 357 2HG1 ILE 30 2HG1 ILE 30 14.804 1.431 0.297 358 1HG2 ILE 30 1HG2 ILE 30 17.545 -0.929 -0.625 359 2HG2 ILE 30 2HG2 ILE 30 16.869 -0.405 -2.167 360 3HG2 ILE 30 3HG2 ILE 30 16.500 -2.012 -1.543 361 1HD1 ILE 30 1HD1 ILE 30 16.894 1.034 1.415 362 2HD1 ILE 30 2HD1 ILE 30 17.006 2.516 0.465 363 3HD1 ILE 30 3HD1 ILE 30 17.755 1.032 -0.125 364 H ASN 31 H ASN 31 12.841 -2.234 0.141 365 HA ASN 31 HA ASN 31 13.900 -4.734 -0.484 366 1HB ASN 31 1HB ASN 31 11.459 -3.740 0.859 367 2HB ASN 31 2HB ASN 31 11.369 -5.386 0.239 368 1HD2 ASN 31 1HD2 ASN 31 14.049 -3.551 1.648 369 2HD2 ASN 31 2HD2 ASN 31 14.358 -4.659 2.937 370 H SER 32 H SER 32 10.929 -3.204 -1.721 371 HA SER 32 HA SER 32 10.253 -5.237 -3.534 372 1HB SER 32 1HB SER 32 8.672 -3.473 -2.872 373 2HB SER 32 2HB SER 32 9.657 -2.271 -3.705 374 HG SER 32 HG SER 32 8.183 -4.409 -4.827 375 H PHE 33 H PHE 33 12.442 -2.521 -3.747 376 HA PHE 33 HA PHE 33 12.858 -2.511 -6.524 377 1HB PHE 33 1HB PHE 33 13.849 -0.642 -5.722 378 2HB PHE 33 2HB PHE 33 14.146 -1.365 -4.148 379 HD1 PHE 33 HD1 PHE 33 16.295 -1.990 -3.527 380 HD2 PHE 33 HD2 PHE 33 15.432 -1.266 -7.632 381 HE1 PHE 33 HE1 PHE 33 18.691 -2.163 -4.057 382 HE2 PHE 33 HE2 PHE 33 17.827 -1.437 -8.169 383 HZ PHE 33 HZ PHE 33 19.460 -1.887 -6.379 384 H VAL 34 H VAL 34 14.819 -4.002 -3.941 385 HA VAL 34 HA VAL 34 16.643 -5.325 -5.567 386 HB VAL 34 HB VAL 34 15.576 -6.391 -2.946 387 1HG1 VAL 34 1HG1 VAL 34 16.973 -8.059 -3.514 388 2HG1 VAL 34 2HG1 VAL 34 18.233 -6.934 -3.008 389 3HG1 VAL 34 3HG1 VAL 34 17.815 -7.081 -4.715 390 1HG2 VAL 34 1HG2 VAL 34 17.409 -4.124 -3.557 391 2HG2 VAL 34 2HG2 VAL 34 17.737 -5.125 -2.142 392 3HG2 VAL 34 3HG2 VAL 34 16.194 -4.284 -2.289 393 H SER 35 H SER 35 13.980 -7.030 -3.885 394 HA SER 35 HA SER 35 14.061 -9.300 -5.315 395 1HB SER 35 1HB SER 35 11.934 -9.845 -4.442 396 2HB SER 35 2HB SER 35 12.589 -8.694 -3.278 397 HG SER 35 HG SER 35 11.269 -7.143 -4.047 398 H GLY 36 H GLY 36 11.961 -6.563 -6.095 399 1HA GLY 36 1HA GLY 36 10.646 -7.420 -8.288 400 2HA GLY 36 2HA GLY 36 11.432 -5.840 -8.273 401 H VAL 37 H VAL 37 14.051 -6.560 -8.143 402 HA VAL 37 HA VAL 37 14.540 -7.571 -10.799 403 HB VAL 37 HB VAL 37 16.476 -6.323 -8.848 404 1HG1 VAL 37 1HG1 VAL 37 16.783 -6.597 -11.829 405 2HG1 VAL 37 2HG1 VAL 37 17.379 -7.813 -10.700 406 3HG1 VAL 37 3HG1 VAL 37 18.007 -6.166 -10.636 407 1HG2 VAL 37 1HG2 VAL 37 14.641 -4.801 -9.503 408 2HG2 VAL 37 2HG2 VAL 37 15.071 -5.049 -11.195 409 3HG2 VAL 37 3HG2 VAL 37 16.214 -4.273 -10.100 410 H ALA 38 H ALA 38 16.306 -7.919 -7.738 411 HA ALA 38 HA ALA 38 17.319 -10.467 -8.508 412 1HB ALA 38 1HB ALA 38 17.840 -9.523 -5.773 413 2HB ALA 38 2HB ALA 38 18.357 -8.445 -7.077 414 3HB ALA 38 3HB ALA 38 18.955 -10.103 -7.017 415 H SER 39 H SER 39 16.094 -9.515 -5.387 416 HA SER 39 HA SER 39 15.489 -12.063 -4.513 417 1HB SER 39 1HB SER 39 15.836 -9.680 -3.381 418 2HB SER 39 2HB SER 39 14.084 -9.839 -3.229 419 HG SER 39 HG SER 39 14.335 -11.634 -2.006 420 H GLY 40 H GLY 40 13.846 -10.730 -6.942 421 1HA GLY 40 1HA GLY 40 11.255 -11.792 -6.004 422 2HA GLY 40 2HA GLY 40 11.413 -10.489 -7.172 423 H ALA 41 H ALA 41 13.280 -13.482 -7.087 424 HA ALA 41 HA ALA 41 11.756 -14.755 -9.126 425 1HB ALA 41 1HB ALA 41 14.072 -13.110 -9.878 426 2HB ALA 41 2HB ALA 41 12.665 -13.590 -10.826 427 3HB ALA 41 3HB ALA 41 14.003 -14.717 -10.600 428 H GLY 42 H GLY 42 15.241 -14.847 -8.781 429 1HA GLY 42 1HA GLY 42 16.317 -16.395 -7.206 430 2HA GLY 42 2HA GLY 42 14.981 -17.497 -7.502 431 H SER 43 H SER 43 14.872 -17.191 -10.328 432 HA SER 43 HA SER 43 17.203 -18.803 -11.030 433 1HB SER 43 1HB SER 43 14.577 -19.186 -11.583 434 2HB SER 43 2HB SER 43 15.088 -18.348 -13.050 435 HG SER 43 HG SER 43 16.207 -20.041 -13.626 436 H ILE 44 H ILE 44 17.878 -16.185 -10.666 437 HA ILE 44 HA ILE 44 18.722 -14.295 -11.639 438 HB ILE 44 HB ILE 44 20.409 -15.999 -12.191 439 1HG1 ILE 44 1HG1 ILE 44 20.947 -14.656 -14.561 440 2HG1 ILE 44 2HG1 ILE 44 19.933 -13.529 -13.666 441 1HG2 ILE 44 1HG2 ILE 44 20.441 -16.749 -14.640 442 2HG2 ILE 44 2HG2 ILE 44 18.727 -16.335 -14.649 443 3HG2 ILE 44 3HG2 ILE 44 19.331 -17.564 -13.539 444 1HD1 ILE 44 1HD1 ILE 44 21.468 -13.287 -11.974 445 2HD1 ILE 44 2HD1 ILE 44 22.506 -13.463 -13.389 446 3HD1 ILE 44 3HD1 ILE 44 22.244 -14.835 -12.311 447 H GLY 45 H GLY 45 16.046 -14.408 -12.195 448 1HA GLY 45 1HA GLY 45 14.593 -13.193 -13.528 449 2HA GLY 45 2HA GLY 45 15.926 -12.866 -14.625 450 H ARG 46 H ARG 46 16.327 -14.255 -16.344 451 HA ARG 46 HA ARG 46 14.521 -16.527 -16.704 452 1HB ARG 46 1HB ARG 46 14.710 -14.127 -18.504 453 2HB ARG 46 2HB ARG 46 14.223 -15.694 -19.136 454 1HG ARG 46 1HG ARG 46 12.193 -15.607 -18.164 455 2HG ARG 46 2HG ARG 46 12.799 -14.788 -16.722 456 1HD ARG 46 1HD ARG 46 12.391 -12.741 -17.561 457 2HD ARG 46 2HD ARG 46 12.910 -13.193 -19.184 458 HE ARG 46 HE ARG 46 10.544 -14.469 -18.922 459 1HH1 ARG 46 1HH1 ARG 46 11.528 -11.158 -18.425 460 2HH1 ARG 46 2HH1 ARG 46 9.980 -10.504 -18.845 461 1HH2 ARG 46 1HH2 ARG 46 8.508 -13.611 -19.474 462 2HH2 ARG 46 2HH2 ARG 46 8.265 -11.897 -19.440 Start of MODEL 5 1 1H MET -18 1H MET -18 34.121 26.458 11.628 2 2H MET -18 2H MET -18 33.641 25.258 10.499 3 3H MET -18 3H MET -18 35.304 25.627 10.708 4 HA MET -18 HA MET -18 34.999 23.669 11.831 5 1HB MET -18 1HB MET -18 35.776 25.999 13.068 6 2HB MET -18 2HB MET -18 34.594 25.358 14.200 7 1HG MET -18 1HG MET -18 35.882 23.584 14.763 8 2HG MET -18 2HG MET -18 36.625 23.474 13.169 9 1HE MET -18 1HE MET -18 39.546 23.471 15.018 10 2HE MET -18 2HE MET -18 37.973 22.801 15.452 11 3HE MET -18 3HE MET -18 38.745 23.990 16.502 12 H ASN -17 H ASN -17 32.542 23.681 10.823 13 HA ASN -17 HA ASN -17 30.580 23.749 12.968 14 1HB ASN -17 1HB ASN -17 30.498 23.631 10.010 15 2HB ASN -17 2HB ASN -17 29.193 22.799 10.851 16 1HD2 ASN -17 1HD2 ASN -17 27.766 24.347 9.930 17 2HD2 ASN -17 2HD2 ASN -17 27.614 25.921 10.625 18 H SER -16 H SER -16 31.073 22.046 14.309 19 HA SER -16 HA SER -16 31.319 19.373 13.168 20 1HB SER -16 1HB SER -16 31.331 19.796 16.115 21 2HB SER -16 2HB SER -16 32.337 18.740 15.123 22 HG SER -16 HG SER -16 32.583 21.530 15.519 23 H VAL -15 H VAL -15 29.422 18.476 12.644 24 HA VAL -15 HA VAL -15 27.104 18.897 14.373 25 HB VAL -15 HB VAL -15 27.186 17.416 11.746 26 1HG1 VAL -15 1HG1 VAL -15 25.233 16.846 12.957 27 2HG1 VAL -15 2HG1 VAL -15 24.743 18.047 11.761 28 3HG1 VAL -15 3HG1 VAL -15 24.962 18.520 13.445 29 1HG2 VAL -15 1HG2 VAL -15 27.954 19.830 11.633 30 2HG2 VAL -15 2HG2 VAL -15 26.320 20.270 12.129 31 3HG2 VAL -15 3HG2 VAL -15 26.577 19.400 10.618 32 H LYS -14 H LYS -14 29.450 16.518 13.558 33 HA LYS -14 HA LYS -14 27.911 14.311 14.632 34 1HB LYS -14 1HB LYS -14 29.775 14.273 12.762 35 2HB LYS -14 2HB LYS -14 30.862 14.163 14.140 36 1HG LYS -14 1HG LYS -14 28.922 12.267 14.679 37 2HG LYS -14 2HG LYS -14 29.177 12.139 12.937 38 1HD LYS -14 1HD LYS -14 30.776 10.688 13.762 39 2HD LYS -14 2HD LYS -14 31.701 12.179 13.576 40 1HE LYS -14 1HE LYS -14 30.917 12.583 16.054 41 2HE LYS -14 2HE LYS -14 30.740 10.829 16.053 42 1HZ LYS -14 1HZ LYS -14 32.900 11.169 16.777 43 2HZ LYS -14 2HZ LYS -14 33.190 12.434 15.692 44 3HZ LYS -14 3HZ LYS -14 33.113 10.840 15.131 45 H GLU -13 H GLU -13 30.501 16.470 15.572 46 HA GLU -13 HA GLU -13 30.988 15.176 18.072 47 1HB GLU -13 1HB GLU -13 31.935 17.699 16.773 48 2HB GLU -13 2HB GLU -13 32.194 17.465 18.496 49 1HG GLU -13 1HG GLU -13 33.073 15.460 16.443 50 2HG GLU -13 2HG GLU -13 34.086 16.809 16.956 51 H LEU -12 H LEU -12 29.120 17.863 16.880 52 HA LEU -12 HA LEU -12 28.327 18.830 19.446 53 1HB LEU -12 1HB LEU -12 28.322 20.286 17.491 54 2HB LEU -12 2HB LEU -12 27.125 19.267 16.713 55 HG LEU -12 HG LEU -12 25.568 19.839 18.633 56 1HD1 LEU -12 1HD1 LEU -12 27.266 20.626 20.200 57 2HD1 LEU -12 2HD1 LEU -12 26.065 21.877 19.878 58 3HD1 LEU -12 3HD1 LEU -12 27.653 21.962 19.117 59 1HD2 LEU -12 1HD2 LEU -12 26.476 22.159 16.935 60 2HD2 LEU -12 2HD2 LEU -12 24.874 21.902 17.627 61 3HD2 LEU -12 3HD2 LEU -12 25.467 20.835 16.353 62 H ASN -11 H ASN -11 27.213 16.362 17.299 63 HA ASN -11 HA ASN -11 24.574 16.124 18.281 64 1HB ASN -11 1HB ASN -11 26.261 14.747 16.394 65 2HB ASN -11 2HB ASN -11 25.402 13.581 17.396 66 1HD2 ASN -11 1HD2 ASN -11 23.626 12.910 16.461 67 2HD2 ASN -11 2HD2 ASN -11 22.543 13.866 15.514 68 H VAL -10 H VAL -10 27.638 15.039 19.436 69 HA VAL -10 HA VAL -10 26.666 12.985 21.163 70 HB VAL -10 HB VAL -10 29.254 14.519 21.428 71 1HG1 VAL -10 1HG1 VAL -10 29.066 11.673 22.164 72 2HG1 VAL -10 2HG1 VAL -10 28.173 12.792 23.195 73 3HG1 VAL -10 3HG1 VAL -10 29.909 13.001 22.961 74 1HG2 VAL -10 1HG2 VAL -10 28.994 11.885 20.030 75 2HG2 VAL -10 2HG2 VAL -10 30.285 13.082 19.924 76 3HG2 VAL -10 3HG2 VAL -10 28.728 13.393 19.157 77 H LYS -9 H LYS -9 27.743 16.333 21.711 78 HA LYS -9 HA LYS -9 27.256 16.415 24.464 79 1HB LYS -9 1HB LYS -9 27.059 18.697 22.490 80 2HB LYS -9 2HB LYS -9 27.271 18.847 24.229 81 1HG LYS -9 1HG LYS -9 29.241 17.489 22.404 82 2HG LYS -9 2HG LYS -9 29.348 19.178 22.905 83 1HD LYS -9 1HD LYS -9 30.090 18.646 24.961 84 2HD LYS -9 2HD LYS -9 28.989 17.275 25.109 85 1HE LYS -9 1HE LYS -9 31.572 17.320 23.549 86 2HE LYS -9 2HE LYS -9 31.322 16.549 25.116 87 1HZ LYS -9 1HZ LYS -9 30.926 14.755 23.847 88 2HZ LYS -9 2HZ LYS -9 30.538 15.659 22.470 89 3HZ LYS -9 3HZ LYS -9 29.379 15.423 23.680 90 H GLU -8 H GLU -8 25.141 17.049 21.714 91 HA GLU -8 HA GLU -8 22.951 18.085 23.116 92 1HB GLU -8 1HB GLU -8 23.510 17.163 20.443 93 2HB GLU -8 2HB GLU -8 21.916 16.624 20.954 94 1HG GLU -8 1HG GLU -8 21.054 18.688 20.876 95 2HG GLU -8 2HG GLU -8 22.500 19.429 21.560 96 H MET -7 H MET -7 23.080 14.871 21.686 97 HA MET -7 HA MET -7 20.978 13.743 23.077 98 1HB MET -7 1HB MET -7 21.902 11.573 22.489 99 2HB MET -7 2HB MET -7 22.070 12.686 21.140 100 1HG MET -7 1HG MET -7 24.247 12.329 21.071 101 2HG MET -7 2HG MET -7 24.414 12.844 22.748 102 1HE MET -7 1HE MET -7 26.365 11.007 23.617 103 2HE MET -7 2HE MET -7 25.416 9.869 24.573 104 3HE MET -7 3HE MET -7 24.983 11.579 24.553 105 H LYS -6 H LYS -6 24.252 14.309 24.112 106 HA LYS -6 HA LYS -6 24.499 12.548 26.234 107 1HB LYS -6 1HB LYS -6 25.734 15.069 25.418 108 2HB LYS -6 2HB LYS -6 25.723 14.847 27.162 109 1HG LYS -6 1HG LYS -6 26.865 12.724 26.929 110 2HG LYS -6 2HG LYS -6 26.819 12.871 25.170 111 1HD LYS -6 1HD LYS -6 28.540 14.326 25.122 112 2HD LYS -6 2HD LYS -6 28.000 15.166 26.577 113 1HE LYS -6 1HE LYS -6 29.725 14.186 27.603 114 2HE LYS -6 2HE LYS -6 28.774 12.704 27.532 115 1HZ LYS -6 1HZ LYS -6 29.891 12.670 25.127 116 2HZ LYS -6 2HZ LYS -6 30.604 11.955 26.484 117 3HZ LYS -6 3HZ LYS -6 31.100 13.491 25.979 118 H GLN -5 H GLN -5 23.573 15.982 26.590 119 HA GLN -5 HA GLN -5 22.383 15.423 29.155 120 1HB GLN -5 1HB GLN -5 22.685 17.921 27.523 121 2HB GLN -5 2HB GLN -5 21.889 17.888 29.089 122 1HG GLN -5 1HG GLN -5 23.929 18.432 29.848 123 2HG GLN -5 2HG GLN -5 24.220 16.699 29.719 124 1HE2 GLN -5 1HE2 GLN -5 26.037 16.190 28.750 125 2HE2 GLN -5 2HE2 GLN -5 26.836 17.108 27.525 126 H LEU -4 H LEU -4 21.239 14.550 26.439 127 HA LEU -4 HA LEU -4 18.650 15.847 26.446 128 1HB LEU -4 1HB LEU -4 20.140 14.885 24.421 129 2HB LEU -4 2HB LEU -4 19.123 13.491 24.729 130 HG LEU -4 HG LEU -4 18.120 14.797 22.986 131 1HD1 LEU -4 1HD1 LEU -4 16.730 14.983 25.641 132 2HD1 LEU -4 2HD1 LEU -4 16.480 13.810 24.348 133 3HD1 LEU -4 3HD1 LEU -4 15.960 15.482 24.135 134 1HD2 LEU -4 1HD2 LEU -4 17.284 17.172 23.823 135 2HD2 LEU -4 2HD2 LEU -4 18.857 16.949 23.055 136 3HD2 LEU -4 3HD2 LEU -4 18.739 17.051 24.812 137 H HIS -3 H HIS -3 19.911 12.577 26.736 138 HA HIS -3 HA HIS -3 17.469 11.389 27.497 139 1HB HIS -3 1HB HIS -3 20.317 10.472 27.913 140 2HB HIS -3 2HB HIS -3 18.901 9.478 28.242 141 HD1 HIS -3 HD1 HIS -3 18.811 7.785 26.442 142 HD2 HIS -3 HD2 HIS -3 19.743 11.558 24.971 143 HE1 HIS -3 HE1 HIS -3 18.911 7.526 23.943 144 HE2 HIS -3 HE2 HIS -3 19.426 9.833 23.070 145 H GLY -2 H GLY -2 19.797 13.214 29.242 146 1HA GLY -2 1HA GLY -2 19.116 12.185 31.842 147 2HA GLY -2 2HA GLY -2 20.109 13.595 31.505 148 H GLY -1 H GLY -1 17.212 12.558 32.764 149 1HA GLY -1 1HA GLY -1 15.608 13.887 33.816 150 2HA GLY -1 2HA GLY -1 16.265 15.292 32.988 151 H VAL 1 H VAL 1 15.071 12.231 31.647 152 HA VAL 1 HA VAL 1 13.711 13.409 29.513 153 HB VAL 1 HB VAL 1 12.483 11.239 29.335 154 1HG1 VAL 1 1HG1 VAL 1 14.343 10.037 28.577 155 2HG1 VAL 1 2HG1 VAL 1 15.404 10.732 29.803 156 3HG1 VAL 1 3HG1 VAL 1 14.839 11.726 28.459 157 1HG2 VAL 1 1HG2 VAL 1 13.721 9.517 31.009 158 2HG2 VAL 1 2HG2 VAL 1 12.145 10.240 31.328 159 3HG2 VAL 1 3HG2 VAL 1 13.597 10.939 32.043 160 H ASN 2 H ASN 2 12.273 15.001 29.943 161 HA ASN 2 HA ASN 2 9.722 14.239 31.019 162 1HB ASN 2 1HB ASN 2 11.590 15.354 32.806 163 2HB ASN 2 2HB ASN 2 10.453 16.645 32.437 164 1HD2 ASN 2 1HD2 ASN 2 8.489 16.614 33.339 165 2HD2 ASN 2 2HD2 ASN 2 7.886 15.346 34.345 166 H TYR 3 H TYR 3 10.610 15.107 28.497 167 HA TYR 3 HA TYR 3 8.702 17.069 27.895 168 1HB TYR 3 1HB TYR 3 10.411 18.836 27.110 169 2HB TYR 3 2HB TYR 3 10.027 18.761 28.827 170 HD1 TYR 3 HD1 TYR 3 11.774 18.770 30.336 171 HD2 TYR 3 HD2 TYR 3 12.486 17.354 26.389 172 HE1 TYR 3 HE1 TYR 3 14.162 18.516 30.865 173 HE2 TYR 3 HE2 TYR 3 14.876 17.094 26.905 174 HH TYR 3 HH TYR 3 16.099 17.313 30.104 175 H GLY 4 H GLY 4 9.484 14.548 26.923 176 1HA GLY 4 1HA GLY 4 10.467 15.233 24.220 177 2HA GLY 4 2HA GLY 4 10.736 13.677 24.992 178 H ASN 5 H ASN 5 9.146 12.127 24.946 179 HA ASN 5 HA ASN 5 7.384 12.093 22.813 180 1HB ASN 5 1HB ASN 5 6.196 10.256 24.310 181 2HB ASN 5 2HB ASN 5 7.762 9.962 23.563 182 1HD2 ASN 5 1HD2 ASN 5 9.574 9.810 24.831 183 2HD2 ASN 5 2HD2 ASN 5 9.512 9.711 26.554 184 H GLY 6 H GLY 6 5.933 11.702 25.977 185 1HA GLY 6 1HA GLY 6 3.987 12.545 26.860 186 2HA GLY 6 2HA GLY 6 4.542 14.083 26.217 187 H VAL 7 H VAL 7 3.092 11.049 25.024 188 HA VAL 7 HA VAL 7 1.640 12.558 22.993 189 HB VAL 7 HB VAL 7 1.483 9.582 23.419 190 1HG1 VAL 7 1HG1 VAL 7 -0.160 10.317 21.906 191 2HG1 VAL 7 2HG1 VAL 7 1.151 9.697 20.903 192 3HG1 VAL 7 3HG1 VAL 7 0.951 11.436 21.116 193 1HG2 VAL 7 1HG2 VAL 7 3.850 10.195 23.274 194 2HG2 VAL 7 2HG2 VAL 7 3.530 11.066 21.774 195 3HG2 VAL 7 3HG2 VAL 7 3.320 9.317 21.838 196 H SER 8 H SER 8 -0.671 12.113 22.649 197 HA SER 8 HA SER 8 -2.235 11.079 24.821 198 1HB SER 8 1HB SER 8 -1.501 13.794 24.953 199 2HB SER 8 2HB SER 8 -3.184 13.778 24.428 200 HG SER 8 HG SER 8 -2.065 12.640 26.764 201 H CYS 9 H CYS 9 -4.562 11.160 24.357 202 HA CYS 9 HA CYS 9 -5.139 11.557 21.500 203 1HB CYS 9 1HB CYS 9 -4.840 9.119 22.226 204 2HB CYS 9 2HB CYS 9 -6.336 9.319 23.129 205 H SER 10 H SER 10 -7.512 11.733 21.055 206 HA SER 10 HA SER 10 -9.531 12.758 21.371 207 1HB SER 10 1HB SER 10 -8.907 11.612 24.025 208 2HB SER 10 2HB SER 10 -10.157 12.850 23.979 209 HG SER 10 HG SER 10 -10.215 10.264 23.069 210 H LYS 11 H LYS 11 -6.854 14.102 21.782 211 HA LYS 11 HA LYS 11 -7.865 16.718 22.356 212 1HB LYS 11 1HB LYS 11 -6.979 15.360 24.545 213 2HB LYS 11 2HB LYS 11 -5.511 16.178 24.031 214 1HG LYS 11 1HG LYS 11 -6.219 18.127 24.823 215 2HG LYS 11 2HG LYS 11 -7.775 17.972 24.006 216 1HD LYS 11 1HD LYS 11 -8.228 16.237 25.943 217 2HD LYS 11 2HD LYS 11 -6.984 17.180 26.766 218 1HE LYS 11 1HE LYS 11 -9.467 18.343 25.512 219 2HE LYS 11 2HE LYS 11 -9.301 17.957 27.224 220 1HZ LYS 11 1HZ LYS 11 -7.607 19.888 25.731 221 2HZ LYS 11 2HZ LYS 11 -7.494 19.539 27.382 222 3HZ LYS 11 3HZ LYS 11 -8.876 20.300 26.771 223 H THR 12 H THR 12 -5.169 14.640 21.657 224 HA THR 12 HA THR 12 -4.192 16.513 19.704 225 HB THR 12 HB THR 12 -2.869 15.987 22.277 226 HG1 THR 12 HG1 THR 12 -2.832 18.053 22.085 227 1HG2 THR 12 1HG2 THR 12 -0.605 16.142 21.479 228 2HG2 THR 12 2HG2 THR 12 -1.158 16.126 19.805 229 3HG2 THR 12 3HG2 THR 12 -1.364 14.695 20.815 230 H LYS 13 H LYS 13 -2.357 15.489 18.421 231 HA LYS 13 HA LYS 13 -2.995 13.346 17.024 232 1HB LYS 13 1HB LYS 13 -0.220 13.972 18.032 233 2HB LYS 13 2HB LYS 13 -0.552 12.806 16.758 234 1HG LYS 13 1HG LYS 13 -0.747 14.399 15.223 235 2HG LYS 13 2HG LYS 13 -1.824 15.356 16.242 236 1HD LYS 13 1HD LYS 13 0.970 15.354 17.123 237 2HD LYS 13 2HD LYS 13 0.719 16.065 15.528 238 1HE LYS 13 1HE LYS 13 -1.246 16.901 17.528 239 2HE LYS 13 2HE LYS 13 0.410 17.370 17.912 240 1HZ LYS 13 1HZ LYS 13 -0.815 19.035 16.586 241 2HZ LYS 13 2HZ LYS 13 -0.920 17.923 15.316 242 3HZ LYS 13 3HZ LYS 13 0.592 18.488 15.823 243 H CYS 14 H CYS 14 -3.564 11.315 17.370 244 HA CYS 14 HA CYS 14 -2.924 10.044 19.909 245 1HB CYS 14 1HB CYS 14 -4.698 9.094 17.650 246 2HB CYS 14 2HB CYS 14 -4.564 8.349 19.240 247 H SER 15 H SER 15 -0.710 10.363 18.187 248 HA SER 15 HA SER 15 -0.066 7.545 17.679 249 1HB SER 15 1HB SER 15 -0.584 9.115 15.585 250 2HB SER 15 2HB SER 15 1.097 9.581 15.838 251 HG SER 15 HG SER 15 0.812 7.775 14.402 252 H VAL 16 H VAL 16 2.184 7.031 17.811 253 HA VAL 16 HA VAL 16 3.599 8.789 19.662 254 HB VAL 16 HB VAL 16 3.371 6.418 20.262 255 1HG1 VAL 16 1HG1 VAL 16 5.204 5.047 18.755 256 2HG1 VAL 16 2HG1 VAL 16 4.391 6.049 17.552 257 3HG1 VAL 16 3HG1 VAL 16 3.452 4.959 18.571 258 1HG2 VAL 16 1HG2 VAL 16 5.206 6.961 21.413 259 2HG2 VAL 16 2HG2 VAL 16 5.890 7.858 20.059 260 3HG2 VAL 16 3HG2 VAL 16 6.111 6.111 20.161 261 H ASN 17 H ASN 17 3.576 9.937 17.229 262 HA ASN 17 HA ASN 17 4.975 10.978 15.768 263 1HB ASN 17 1HB ASN 17 6.727 10.016 17.806 264 2HB ASN 17 2HB ASN 17 7.506 9.755 16.248 265 1HD2 ASN 17 1HD2 ASN 17 8.952 11.324 16.076 266 2HD2 ASN 17 2HD2 ASN 17 8.634 13.011 16.267 267 H TRP 18 H TRP 18 4.229 10.145 13.888 268 HA TRP 18 HA TRP 18 4.761 7.498 13.014 269 1HB TRP 18 1HB TRP 18 3.053 9.575 12.242 270 2HB TRP 18 2HB TRP 18 4.095 9.302 10.849 271 HD1 TRP 18 HD1 TRP 18 2.590 6.671 13.273 272 HE1 TRP 18 HE1 TRP 18 1.259 4.974 11.870 273 HE3 TRP 18 HE3 TRP 18 3.120 8.831 8.670 274 HZ2 TRP 18 HZ2 TRP 18 0.531 4.599 9.168 275 HZ3 TRP 18 HZ3 TRP 18 2.076 7.740 6.728 276 HH2 TRP 18 HH2 TRP 18 0.809 5.667 6.973 277 H GLY 19 H GLY 19 6.736 10.188 13.152 278 1HA GLY 19 1HA GLY 19 8.145 10.242 10.771 279 2HA GLY 19 2HA GLY 19 8.847 10.598 12.342 280 H GLN 20 H GLN 20 8.870 8.262 13.646 281 HA GLN 20 HA GLN 20 11.062 6.901 12.600 282 1HB GLN 20 1HB GLN 20 10.133 6.840 14.991 283 2HB GLN 20 2HB GLN 20 9.016 5.614 14.407 284 1HG GLN 20 1HG GLN 20 10.738 4.371 15.314 285 2HG GLN 20 2HG GLN 20 11.120 4.385 13.593 286 1HE2 GLN 20 1HE2 GLN 20 13.223 4.510 13.325 287 2HE2 GLN 20 2HE2 GLN 20 14.308 5.522 14.211 288 H ALA 21 H ALA 21 7.643 5.872 12.661 289 HA ALA 21 HA ALA 21 8.079 3.679 10.973 290 1HB ALA 21 1HB ALA 21 5.566 3.730 10.670 291 2HB ALA 21 2HB ALA 21 5.589 5.087 11.804 292 3HB ALA 21 3HB ALA 21 6.182 3.500 12.305 293 H PHE 22 H PHE 22 8.239 6.790 10.266 294 HA PHE 22 HA PHE 22 7.067 6.821 7.662 295 1HB PHE 22 1HB PHE 22 7.705 8.863 9.191 296 2HB PHE 22 2HB PHE 22 9.298 8.670 8.467 297 HD1 PHE 22 HD1 PHE 22 5.806 9.577 7.858 298 HD2 PHE 22 HD2 PHE 22 9.685 9.192 6.150 299 HE1 PHE 22 HE1 PHE 22 5.071 10.884 5.907 300 HE2 PHE 22 HE2 PHE 22 8.958 10.499 4.196 301 HZ PHE 22 HZ PHE 22 6.649 11.348 4.073 302 H GLN 23 H GLN 23 10.208 6.338 9.107 303 HA GLN 23 HA GLN 23 11.560 5.815 6.625 304 1HB GLN 23 1HB GLN 23 12.256 6.026 9.444 305 2HB GLN 23 2HB GLN 23 13.035 4.638 8.694 306 1HG GLN 23 1HG GLN 23 14.613 6.104 8.117 307 2HG GLN 23 2HG GLN 23 13.489 6.564 6.839 308 1HE2 GLN 23 1HE2 GLN 23 13.324 8.670 6.645 309 2HE2 GLN 23 2HE2 GLN 23 13.357 9.823 7.931 310 H GLU 24 H GLU 24 9.612 4.073 8.876 311 HA GLU 24 HA GLU 24 10.477 1.448 8.455 312 1HB GLU 24 1HB GLU 24 7.932 2.689 9.368 313 2HB GLU 24 2HB GLU 24 7.918 0.989 8.932 314 1HG GLU 24 1HG GLU 24 9.891 2.124 10.883 315 2HG GLU 24 2HG GLU 24 8.296 1.555 11.371 316 H ARG 25 H ARG 25 8.128 3.444 6.750 317 HA ARG 25 HA ARG 25 7.309 1.444 4.923 318 1HB ARG 25 1HB ARG 25 6.960 4.393 5.165 319 2HB ARG 25 2HB ARG 25 6.624 3.647 3.607 320 1HG ARG 25 1HG ARG 25 5.395 2.223 5.825 321 2HG ARG 25 2HG ARG 25 4.865 3.901 5.703 322 1HD ARG 25 1HD ARG 25 4.717 1.763 3.588 323 2HD ARG 25 2HD ARG 25 3.376 2.564 4.401 324 HE ARG 25 HE ARG 25 3.862 4.544 3.164 325 1HH1 ARG 25 1HH1 ARG 25 5.706 1.752 2.138 326 2HH1 ARG 25 2HH1 ARG 25 6.067 2.417 0.582 327 1HH2 ARG 25 1HH2 ARG 25 4.348 5.409 1.121 328 2HH2 ARG 25 2HH2 ARG 25 5.303 4.488 0.007 329 H TYR 26 H TYR 26 9.880 3.764 4.992 330 HA TYR 26 HA TYR 26 10.571 3.722 2.260 331 1HB TYR 26 1HB TYR 26 11.846 4.614 4.778 332 2HB TYR 26 2HB TYR 26 12.944 4.249 3.450 333 HD1 TYR 26 HD1 TYR 26 13.541 6.027 2.115 334 HD2 TYR 26 HD2 TYR 26 9.705 6.055 3.956 335 HE1 TYR 26 HE1 TYR 26 13.094 8.238 1.136 336 HE2 TYR 26 HE2 TYR 26 9.247 8.266 2.981 337 HH TYR 26 HH TYR 26 10.648 10.238 2.150 338 H THR 27 H THR 27 11.644 1.797 5.026 339 HA THR 27 HA THR 27 13.637 0.323 3.723 340 HB THR 27 HB THR 27 11.861 -0.500 6.030 341 HG1 THR 27 HG1 THR 27 13.147 1.427 6.313 342 1HG2 THR 27 1HG2 THR 27 13.459 -2.110 6.643 343 2HG2 THR 27 2HG2 THR 27 14.613 -1.537 5.438 344 3HG2 THR 27 3HG2 THR 27 13.144 -2.370 4.928 345 H ALA 28 H ALA 28 10.158 -0.163 3.969 346 HA ALA 28 HA ALA 28 10.057 -2.755 2.882 347 1HB ALA 28 1HB ALA 28 7.958 -0.592 2.764 348 2HB ALA 28 2HB ALA 28 8.188 -1.732 4.090 349 3HB ALA 28 3HB ALA 28 7.693 -2.317 2.502 350 H GLY 29 H GLY 29 10.086 0.439 1.398 351 1HA GLY 29 1HA GLY 29 9.435 -0.391 -1.231 352 2HA GLY 29 2HA GLY 29 10.244 1.108 -0.796 353 H ILE 30 H ILE 30 12.522 -0.035 0.453 354 HA ILE 30 HA ILE 30 14.208 -0.380 -1.761 355 HB ILE 30 HB ILE 30 14.781 -1.253 1.072 356 1HG1 ILE 30 1HG1 ILE 30 14.033 1.058 1.083 357 2HG1 ILE 30 2HG1 ILE 30 15.774 1.005 1.344 358 1HG2 ILE 30 1HG2 ILE 30 17.080 -1.061 0.520 359 2HG2 ILE 30 2HG2 ILE 30 16.713 -0.307 -1.032 360 3HG2 ILE 30 3HG2 ILE 30 16.329 -2.007 -0.766 361 1HD1 ILE 30 1HD1 ILE 30 16.001 2.460 -0.301 362 2HD1 ILE 30 2HD1 ILE 30 14.282 2.359 -0.682 363 3HD1 ILE 30 3HD1 ILE 30 15.417 1.230 -1.422 364 H ASN 31 H ASN 31 12.684 -2.721 0.397 365 HA ASN 31 HA ASN 31 14.027 -5.019 -0.463 366 1HB ASN 31 1HB ASN 31 12.095 -4.495 1.396 367 2HB ASN 31 2HB ASN 31 11.175 -5.384 0.185 368 1HD2 ASN 31 1HD2 ASN 31 14.192 -5.519 2.031 369 2HD2 ASN 31 2HD2 ASN 31 14.201 -7.236 2.222 370 H SER 32 H SER 32 11.019 -3.545 -1.642 371 HA SER 32 HA SER 32 10.416 -5.470 -3.587 372 1HB SER 32 1HB SER 32 9.583 -2.703 -2.991 373 2HB SER 32 2HB SER 32 9.394 -3.190 -4.675 374 HG SER 32 HG SER 32 7.536 -3.744 -3.572 375 H PHE 33 H PHE 33 12.573 -2.714 -3.622 376 HA PHE 33 HA PHE 33 13.011 -2.565 -6.396 377 1HB PHE 33 1HB PHE 33 14.356 -1.560 -3.959 378 2HB PHE 33 2HB PHE 33 15.366 -1.683 -5.395 379 HD1 PHE 33 HD1 PHE 33 12.993 0.283 -3.646 380 HD2 PHE 33 HD2 PHE 33 14.477 -0.582 -7.539 381 HE1 PHE 33 HE1 PHE 33 12.082 2.419 -4.464 382 HE2 PHE 33 HE2 PHE 33 13.571 1.551 -8.364 383 HZ PHE 33 HZ PHE 33 12.372 3.055 -6.826 384 H VAL 34 H VAL 34 14.808 -4.256 -3.836 385 HA VAL 34 HA VAL 34 16.841 -5.332 -5.387 386 HB VAL 34 HB VAL 34 15.512 -6.691 -3.036 387 1HG1 VAL 34 1HG1 VAL 34 18.402 -6.956 -3.443 388 2HG1 VAL 34 2HG1 VAL 34 17.416 -7.708 -4.697 389 3HG1 VAL 34 3HG1 VAL 34 17.199 -8.171 -3.009 390 1HG2 VAL 34 1HG2 VAL 34 16.072 -4.610 -2.183 391 2HG2 VAL 34 2HG2 VAL 34 17.503 -4.465 -3.203 392 3HG2 VAL 34 3HG2 VAL 34 17.509 -5.570 -1.829 393 H SER 35 H SER 35 14.157 -7.381 -4.216 394 HA SER 35 HA SER 35 14.496 -9.397 -5.946 395 1HB SER 35 1HB SER 35 12.950 -9.644 -4.110 396 2HB SER 35 2HB SER 35 11.924 -8.372 -4.764 397 HG SER 35 HG SER 35 10.915 -9.957 -5.689 398 H GLY 36 H GLY 36 12.192 -6.766 -6.499 399 1HA GLY 36 1HA GLY 36 11.141 -7.383 -8.895 400 2HA GLY 36 2HA GLY 36 11.765 -5.763 -8.588 401 H VAL 37 H VAL 37 14.433 -6.277 -8.351 402 HA VAL 37 HA VAL 37 15.192 -6.818 -11.077 403 HB VAL 37 HB VAL 37 16.847 -5.722 -8.804 404 1HG1 VAL 37 1HG1 VAL 37 17.434 -6.404 -11.618 405 2HG1 VAL 37 2HG1 VAL 37 18.499 -6.356 -10.213 406 3HG1 VAL 37 3HG1 VAL 37 18.064 -4.860 -11.041 407 1HG2 VAL 37 1HG2 VAL 37 14.989 -4.464 -10.720 408 2HG2 VAL 37 2HG2 VAL 37 16.535 -3.648 -10.489 409 3HG2 VAL 37 3HG2 VAL 37 15.481 -3.949 -9.108 410 H ALA 38 H ALA 38 16.780 -7.491 -7.978 411 HA ALA 38 HA ALA 38 18.071 -9.798 -9.041 412 1HB ALA 38 1HB ALA 38 18.345 -9.298 -6.167 413 2HB ALA 38 2HB ALA 38 18.793 -7.941 -7.210 414 3HB ALA 38 3HB ALA 38 19.580 -9.505 -7.416 415 H SER 39 H SER 39 16.556 -9.432 -5.924 416 HA SER 39 HA SER 39 16.103 -12.135 -5.521 417 1HB SER 39 1HB SER 39 16.315 -10.076 -3.935 418 2HB SER 39 2HB SER 39 14.555 -10.127 -4.007 419 HG SER 39 HG SER 39 14.643 -12.283 -3.287 420 H GLY 40 H GLY 40 14.590 -10.674 -7.873 421 1HA GLY 40 1HA GLY 40 11.989 -11.938 -7.272 422 2HA GLY 40 2HA GLY 40 12.149 -10.480 -8.237 423 H ALA 41 H ALA 41 14.139 -13.398 -8.378 424 HA ALA 41 HA ALA 41 12.870 -14.413 -10.714 425 1HB ALA 41 1HB ALA 41 15.310 -12.738 -10.990 426 2HB ALA 41 2HB ALA 41 13.894 -12.848 -12.037 427 3HB ALA 41 3HB ALA 41 15.103 -14.132 -12.051 428 H GLY 42 H GLY 42 16.312 -14.464 -10.057 429 1HA GLY 42 1HA GLY 42 16.291 -16.874 -8.543 430 2HA GLY 42 2HA GLY 42 16.629 -17.206 -10.234 431 H SER 43 H SER 43 18.608 -16.687 -11.088 432 HA SER 43 HA SER 43 20.495 -15.090 -9.630 433 1HB SER 43 1HB SER 43 20.574 -18.042 -9.503 434 2HB SER 43 2HB SER 43 22.113 -17.245 -9.830 435 HG SER 43 HG SER 43 20.379 -16.750 -7.638 436 H ILE 44 H ILE 44 19.889 -17.318 -12.254 437 HA ILE 44 HA ILE 44 20.664 -17.458 -14.390 438 HB ILE 44 HB ILE 44 20.863 -14.481 -13.971 439 1HG1 ILE 44 1HG1 ILE 44 18.733 -14.688 -15.479 440 2HG1 ILE 44 2HG1 ILE 44 18.706 -16.345 -14.887 441 1HG2 ILE 44 1HG2 ILE 44 20.488 -14.723 -16.619 442 2HG2 ILE 44 2HG2 ILE 44 21.457 -16.166 -16.321 443 3HG2 ILE 44 3HG2 ILE 44 22.081 -14.577 -15.876 444 1HD1 ILE 44 1HD1 ILE 44 19.075 -14.582 -12.681 445 2HD1 ILE 44 2HD1 ILE 44 17.737 -15.682 -13.017 446 3HD1 ILE 44 3HD1 ILE 44 17.703 -14.033 -13.644 447 H GLY 45 H GLY 45 22.561 -18.610 -13.479 448 1HA GLY 45 1HA GLY 45 25.027 -17.110 -14.095 449 2HA GLY 45 2HA GLY 45 24.926 -18.123 -12.663 450 H ARG 46 H ARG 46 24.216 -18.414 -16.149 451 HA ARG 46 HA ARG 46 24.713 -20.033 -17.666 452 1HB ARG 46 1HB ARG 46 26.966 -20.562 -15.723 453 2HB ARG 46 2HB ARG 46 26.836 -21.308 -17.311 454 1HG ARG 46 1HG ARG 46 27.713 -19.530 -18.305 455 2HG ARG 46 2HG ARG 46 26.595 -18.438 -17.488 456 1HD ARG 46 1HD ARG 46 28.026 -18.399 -15.529 457 2HD ARG 46 2HD ARG 46 29.120 -19.559 -16.279 458 HE ARG 46 HE ARG 46 29.085 -17.525 -18.054 459 1HH1 ARG 46 1HH1 ARG 46 29.636 -17.661 -14.611 460 2HH1 ARG 46 2HH1 ARG 46 30.701 -16.295 -14.601 461 1HH2 ARG 46 1HH2 ARG 46 30.487 -15.729 -18.044 462 2HH2 ARG 46 2HH2 ARG 46 31.185 -15.199 -16.550 Start of MODEL 6 1 1H MET -18 1H MET -18 6.964 -20.916 35.683 2 2H MET -18 2H MET -18 6.488 -19.581 36.649 3 3H MET -18 3H MET -18 5.395 -20.248 35.506 4 HA MET -18 HA MET -18 5.618 -22.373 36.783 5 1HB MET -18 1HB MET -18 6.761 -20.355 38.723 6 2HB MET -18 2HB MET -18 6.199 -21.953 39.192 7 1HG MET -18 1HG MET -18 8.014 -22.987 38.359 8 2HG MET -18 2HG MET -18 8.150 -21.884 36.991 9 1HE MET -18 1HE MET -18 9.977 -23.271 39.573 10 2HE MET -18 2HE MET -18 11.271 -22.102 39.831 11 3HE MET -18 3HE MET -18 10.937 -22.705 38.208 12 H ASN -17 H ASN -17 4.143 -22.602 38.823 13 HA ASN -17 HA ASN -17 1.789 -20.985 38.285 14 1HB ASN -17 1HB ASN -17 0.615 -22.616 39.714 15 2HB ASN -17 2HB ASN -17 1.521 -23.410 38.429 16 1HD2 ASN -17 1HD2 ASN -17 0.862 -23.375 41.683 17 2HD2 ASN -17 2HD2 ASN -17 2.170 -24.358 42.236 18 H SER -16 H SER -16 3.109 -19.123 39.251 19 HA SER -16 HA SER -16 3.402 -19.043 42.096 20 1HB SER -16 1HB SER -16 3.562 -16.925 39.949 21 2HB SER -16 2HB SER -16 3.789 -16.564 41.661 22 HG SER -16 HG SER -16 5.275 -18.560 40.314 23 H VAL -15 H VAL -15 1.938 -18.528 43.588 24 HA VAL -15 HA VAL -15 -0.702 -17.654 42.692 25 HB VAL -15 HB VAL -15 0.119 -18.548 45.457 26 1HG1 VAL -15 1HG1 VAL -15 -2.600 -18.306 44.173 27 2HG1 VAL -15 2HG1 VAL -15 -1.925 -17.203 45.371 28 3HG1 VAL -15 3HG1 VAL -15 -2.270 -18.875 45.809 29 1HG2 VAL -15 1HG2 VAL -15 -1.496 -20.361 43.804 30 2HG2 VAL -15 2HG2 VAL -15 -0.158 -20.710 44.899 31 3HG2 VAL -15 3HG2 VAL -15 0.168 -20.147 43.261 32 H LYS -14 H LYS -14 2.083 -16.518 44.357 33 HA LYS -14 HA LYS -14 0.737 -14.286 45.601 34 1HB LYS -14 1HB LYS -14 3.056 -13.535 46.152 35 2HB LYS -14 2HB LYS -14 2.684 -15.151 46.732 36 1HG LYS -14 1HG LYS -14 4.559 -15.827 45.767 37 2HG LYS -14 2HG LYS -14 3.775 -15.556 44.211 38 1HD LYS -14 1HD LYS -14 5.782 -14.346 44.089 39 2HD LYS -14 2HD LYS -14 4.548 -13.134 44.437 40 1HE LYS -14 1HE LYS -14 6.238 -12.572 45.917 41 2HE LYS -14 2HE LYS -14 5.170 -13.562 46.912 42 1HZ LYS -14 1HZ LYS -14 7.299 -14.953 45.490 43 2HZ LYS -14 2HZ LYS -14 6.680 -15.219 47.041 44 3HZ LYS -14 3HZ LYS -14 7.775 -13.959 46.774 45 H GLU -13 H GLU -13 2.620 -14.974 42.742 46 HA GLU -13 HA GLU -13 2.793 -12.264 41.881 47 1HB GLU -13 1HB GLU -13 3.393 -14.910 40.605 48 2HB GLU -13 2HB GLU -13 3.397 -13.437 39.646 49 1HG GLU -13 1HG GLU -13 4.943 -13.185 42.092 50 2HG GLU -13 2HG GLU -13 5.522 -14.479 41.044 51 H LEU -12 H LEU -12 0.743 -15.021 41.229 52 HA LEU -12 HA LEU -12 -0.777 -13.788 39.166 53 1HB LEU -12 1HB LEU -12 -0.995 -16.246 40.807 54 2HB LEU -12 2HB LEU -12 -2.474 -15.654 40.078 55 HG LEU -12 HG LEU -12 -1.563 -15.872 37.869 56 1HD1 LEU -12 1HD1 LEU -12 0.975 -15.910 39.300 57 2HD1 LEU -12 2HD1 LEU -12 0.617 -15.460 37.634 58 3HD1 LEU -12 3HD1 LEU -12 0.857 -17.154 38.055 59 1HD2 LEU -12 1HD2 LEU -12 -1.783 -18.114 37.735 60 2HD2 LEU -12 2HD2 LEU -12 -2.218 -17.954 39.437 61 3HD2 LEU -12 3HD2 LEU -12 -0.576 -18.416 38.986 62 H ASN -11 H ASN -11 -0.881 -13.684 42.620 63 HA ASN -11 HA ASN -11 -3.565 -12.825 42.897 64 1HB ASN -11 1HB ASN -11 -1.413 -13.437 44.628 65 2HB ASN -11 2HB ASN -11 -1.924 -11.797 45.014 66 1HD2 ASN -11 1HD2 ASN -11 -2.940 -15.133 44.779 67 2HD2 ASN -11 2HD2 ASN -11 -4.329 -14.982 45.796 68 H VAL -10 H VAL -10 -0.543 -11.201 42.344 69 HA VAL -10 HA VAL -10 -1.534 -8.557 42.805 70 HB VAL -10 HB VAL -10 0.908 -9.327 41.207 71 1HG1 VAL -10 1HG1 VAL -10 -0.206 -6.893 41.430 72 2HG1 VAL -10 2HG1 VAL -10 1.532 -7.156 41.276 73 3HG1 VAL -10 3HG1 VAL -10 0.818 -6.888 42.867 74 1HG2 VAL -10 1HG2 VAL -10 1.888 -8.653 43.626 75 2HG2 VAL -10 2HG2 VAL -10 1.552 -10.313 43.133 76 3HG2 VAL -10 3HG2 VAL -10 0.377 -9.425 44.105 77 H LYS -9 H LYS -9 -0.596 -10.305 39.840 78 HA LYS -9 HA LYS -9 -1.431 -8.366 38.016 79 1HB LYS -9 1HB LYS -9 -0.876 -11.282 37.899 80 2HB LYS -9 2HB LYS -9 -1.793 -10.592 36.566 81 1HG LYS -9 1HG LYS -9 0.397 -10.465 35.831 82 2HG LYS -9 2HG LYS -9 0.089 -8.843 36.455 83 1HD LYS -9 1HD LYS -9 2.013 -9.158 37.577 84 2HD LYS -9 2HD LYS -9 1.009 -10.099 38.681 85 1HE LYS -9 1HE LYS -9 2.747 -11.101 36.440 86 2HE LYS -9 2HE LYS -9 2.898 -11.437 38.164 87 1HZ LYS -9 1HZ LYS -9 0.756 -12.386 36.342 88 2HZ LYS -9 2HZ LYS -9 0.721 -12.584 38.021 89 3HZ LYS -9 3HZ LYS -9 1.936 -13.325 37.108 90 H GLU -8 H GLU -8 -3.242 -10.787 39.757 91 HA GLU -8 HA GLU -8 -5.563 -10.868 38.219 92 1HB GLU -8 1HB GLU -8 -4.742 -11.719 40.845 93 2HB GLU -8 2HB GLU -8 -6.380 -11.081 40.894 94 1HG GLU -8 1HG GLU -8 -6.308 -12.708 38.635 95 2HG GLU -8 2HG GLU -8 -5.413 -13.591 39.870 96 H MET -7 H MET -7 -5.592 -9.316 41.364 97 HA MET -7 HA MET -7 -7.724 -7.618 40.849 98 1HB MET -7 1HB MET -7 -7.073 -6.406 42.852 99 2HB MET -7 2HB MET -7 -6.885 -8.135 43.107 100 1HG MET -7 1HG MET -7 -4.884 -7.591 43.919 101 2HG MET -7 2HG MET -7 -4.409 -7.458 42.228 102 1HE MET -7 1HE MET -7 -2.645 -6.267 42.407 103 2HE MET -7 2HE MET -7 -2.337 -4.833 43.386 104 3HE MET -7 3HE MET -7 -2.941 -4.662 41.738 105 H LYS -6 H LYS -6 -4.386 -7.295 39.988 106 HA LYS -6 HA LYS -6 -4.099 -4.554 39.711 107 1HB LYS -6 1HB LYS -6 -2.827 -6.942 38.568 108 2HB LYS -6 2HB LYS -6 -2.713 -5.515 37.547 109 1HG LYS -6 1HG LYS -6 -1.743 -4.270 39.436 110 2HG LYS -6 2HG LYS -6 -1.800 -5.743 40.407 111 1HD LYS -6 1HD LYS -6 0.074 -6.526 39.481 112 2HD LYS -6 2HD LYS -6 -0.509 -6.189 37.849 113 1HE LYS -6 1HE LYS -6 1.160 -4.686 37.813 114 2HE LYS -6 2HE LYS -6 0.034 -3.685 38.729 115 1HZ LYS -6 1HZ LYS -6 1.062 -4.756 40.768 116 2HZ LYS -6 2HZ LYS -6 2.017 -3.637 39.934 117 3HZ LYS -6 3HZ LYS -6 2.298 -5.294 39.745 118 H GLN -5 H GLN -5 -4.825 -6.746 36.984 119 HA GLN -5 HA GLN -5 -5.940 -4.553 35.483 120 1HB GLN -5 1HB GLN -5 -5.412 -7.441 34.932 121 2HB GLN -5 2HB GLN -5 -6.359 -6.470 33.817 122 1HG GLN -5 1HG GLN -5 -4.560 -5.387 33.025 123 2HG GLN -5 2HG GLN -5 -3.801 -5.279 34.613 124 1HE2 GLN -5 1HE2 GLN -5 -1.979 -6.350 34.785 125 2HE2 GLN -5 2HE2 GLN -5 -1.544 -7.778 33.917 126 H LEU -4 H LEU -4 -7.236 -5.864 37.937 127 HA LEU -4 HA LEU -4 -9.741 -6.824 36.849 128 1HB LEU -4 1HB LEU -4 -8.516 -7.741 38.933 129 2HB LEU -4 2HB LEU -4 -9.197 -6.350 39.754 130 HG LEU -4 HG LEU -4 -11.120 -7.991 38.226 131 1HD1 LEU -4 1HD1 LEU -4 -11.274 -9.673 40.014 132 2HD1 LEU -4 2HD1 LEU -4 -9.809 -9.012 40.741 133 3HD1 LEU -4 3HD1 LEU -4 -9.743 -9.755 39.143 134 1HD2 LEU -4 1HD2 LEU -4 -11.316 -7.127 41.084 135 2HD2 LEU -4 2HD2 LEU -4 -12.596 -7.344 39.891 136 3HD2 LEU -4 3HD2 LEU -4 -11.514 -5.957 39.780 137 H HIS -3 H HIS -3 -8.893 -4.434 39.292 138 HA HIS -3 HA HIS -3 -11.352 -3.043 39.070 139 1HB HIS -3 1HB HIS -3 -8.759 -2.506 40.472 140 2HB HIS -3 2HB HIS -3 -9.994 -1.254 40.392 141 HD1 HIS -3 HD1 HIS -3 -9.773 -4.902 41.463 142 HD2 HIS -3 HD2 HIS -3 -11.740 -1.378 42.450 143 HE1 HIS -3 HE1 HIS -3 -11.148 -5.448 43.496 144 HE2 HIS -3 HE2 HIS -3 -12.391 -3.321 44.029 145 H GLY -2 H GLY -2 -8.386 -2.886 37.348 146 1HA GLY -2 1HA GLY -2 -9.451 -0.645 35.782 147 2HA GLY -2 2HA GLY -2 -7.830 -0.502 36.446 148 H GLY -1 H GLY -1 -9.433 -1.154 33.703 149 1HA GLY -1 1HA GLY -1 -7.588 -3.249 32.788 150 2HA GLY -1 2HA GLY -1 -9.056 -2.745 31.965 151 H VAL 1 H VAL 1 -6.717 -0.469 33.224 152 HA VAL 1 HA VAL 1 -5.957 0.192 30.452 153 HB VAL 1 HB VAL 1 -6.120 2.133 32.761 154 1HG1 VAL 1 1HG1 VAL 1 -5.855 3.843 31.057 155 2HG1 VAL 1 2HG1 VAL 1 -5.785 2.607 29.801 156 3HG1 VAL 1 3HG1 VAL 1 -4.501 2.713 31.006 157 1HG2 VAL 1 1HG2 VAL 1 -8.280 1.013 31.548 158 2HG2 VAL 1 2HG2 VAL 1 -8.005 2.428 30.531 159 3HG2 VAL 1 3HG2 VAL 1 -8.256 2.623 32.266 160 H ASN 2 H ASN 2 -3.957 -0.570 30.155 161 HA ASN 2 HA ASN 2 -1.892 0.216 32.084 162 1HB ASN 2 1HB ASN 2 -2.624 -2.527 31.246 163 2HB ASN 2 2HB ASN 2 -0.900 -2.169 31.268 164 1HD2 ASN 2 1HD2 ASN 2 -3.691 -2.817 33.119 165 2HD2 ASN 2 2HD2 ASN 2 -2.956 -2.729 34.681 166 H TYR 3 H TYR 3 -1.880 1.863 30.240 167 HA TYR 3 HA TYR 3 -0.790 2.796 28.476 168 1HB TYR 3 1HB TYR 3 1.039 0.548 29.237 169 2HB TYR 3 2HB TYR 3 1.377 1.487 27.786 170 HD1 TYR 3 HD1 TYR 3 1.446 4.077 28.100 171 HD2 TYR 3 HD2 TYR 3 1.835 1.286 31.286 172 HE1 TYR 3 HE1 TYR 3 2.539 5.803 29.468 173 HE2 TYR 3 HE2 TYR 3 2.929 3.003 32.665 174 HH TYR 3 HH TYR 3 2.888 6.274 31.902 175 H GLY 4 H GLY 4 -2.980 1.154 27.872 176 1HA GLY 4 1HA GLY 4 -2.135 0.029 25.272 177 2HA GLY 4 2HA GLY 4 -3.395 -0.702 26.252 178 H ASN 5 H ASN 5 -3.243 2.743 26.140 179 HA ASN 5 HA ASN 5 -5.605 2.753 24.383 180 1HB ASN 5 1HB ASN 5 -4.935 4.237 26.864 181 2HB ASN 5 2HB ASN 5 -5.811 5.127 25.623 182 1HD2 ASN 5 1HD2 ASN 5 -5.868 2.171 27.544 183 2HD2 ASN 5 2HD2 ASN 5 -7.587 2.019 27.588 184 H GLY 6 H GLY 6 -2.403 3.901 24.798 185 1HA GLY 6 1HA GLY 6 -1.723 4.687 22.384 186 2HA GLY 6 2HA GLY 6 -2.751 6.040 22.833 187 H VAL 7 H VAL 7 -0.263 4.139 24.530 188 HA VAL 7 HA VAL 7 1.373 4.815 25.976 189 HB VAL 7 HB VAL 7 2.158 5.153 23.487 190 1HG1 VAL 7 1HG1 VAL 7 2.968 7.852 24.345 191 2HG1 VAL 7 2HG1 VAL 7 1.301 7.664 23.804 192 3HG1 VAL 7 3HG1 VAL 7 2.628 7.224 22.733 193 1HG2 VAL 7 1HG2 VAL 7 3.399 5.022 25.953 194 2HG2 VAL 7 2HG2 VAL 7 4.162 6.396 25.153 195 3HG2 VAL 7 3HG2 VAL 7 4.161 4.813 24.377 196 H SER 8 H SER 8 2.720 7.270 26.221 197 HA SER 8 HA SER 8 0.685 9.202 27.026 198 1HB SER 8 1HB SER 8 2.644 7.875 28.895 199 2HB SER 8 2HB SER 8 1.938 9.450 29.255 200 HG SER 8 HG SER 8 -0.148 8.325 28.873 201 H CYS 9 H CYS 9 1.436 11.332 27.205 202 HA CYS 9 HA CYS 9 3.569 12.016 25.501 203 1HB CYS 9 1HB CYS 9 1.783 13.517 27.358 204 2HB CYS 9 2HB CYS 9 3.234 14.321 26.769 205 H SER 10 H SER 10 5.666 11.947 25.859 206 HA SER 10 HA SER 10 6.963 13.048 28.073 207 1HB SER 10 1HB SER 10 7.898 10.816 28.975 208 2HB SER 10 2HB SER 10 6.276 11.291 29.477 209 HG SER 10 HG SER 10 7.077 9.280 27.694 210 H LYS 11 H LYS 11 8.706 13.763 27.054 211 HA LYS 11 HA LYS 11 10.574 13.863 25.764 212 1HB LYS 11 1HB LYS 11 10.690 11.533 27.156 213 2HB LYS 11 2HB LYS 11 10.882 10.965 25.504 214 1HG LYS 11 1HG LYS 11 12.582 13.048 26.868 215 2HG LYS 11 2HG LYS 11 13.040 11.373 26.556 216 1HD LYS 11 1HD LYS 11 12.965 11.736 24.181 217 2HD LYS 11 2HD LYS 11 12.309 13.358 24.407 218 1HE LYS 11 1HE LYS 11 14.823 12.883 25.826 219 2HE LYS 11 2HE LYS 11 14.956 12.750 24.073 220 1HZ LYS 11 1HZ LYS 11 14.264 14.938 23.780 221 2HZ LYS 11 2HZ LYS 11 15.299 15.029 25.114 222 3HZ LYS 11 3HZ LYS 11 13.624 15.061 25.343 223 H THR 12 H THR 12 7.778 13.002 24.615 224 HA THR 12 HA THR 12 8.724 12.867 21.896 225 HB THR 12 HB THR 12 7.550 10.615 23.337 226 HG1 THR 12 HG1 THR 12 9.573 10.628 22.221 227 1HG2 THR 12 1HG2 THR 12 5.557 11.072 22.088 228 2HG2 THR 12 2HG2 THR 12 6.386 9.696 21.361 229 3HG2 THR 12 3HG2 THR 12 6.487 11.287 20.605 230 H LYS 13 H LYS 13 6.526 14.012 24.150 231 HA LYS 13 HA LYS 13 4.625 15.251 24.026 232 1HB LYS 13 1HB LYS 13 6.375 16.239 22.251 233 2HB LYS 13 2HB LYS 13 5.042 15.848 21.177 234 1HG LYS 13 1HG LYS 13 4.684 18.080 21.769 235 2HG LYS 13 2HG LYS 13 3.573 17.169 22.793 236 1HD LYS 13 1HD LYS 13 4.584 18.759 24.211 237 2HD LYS 13 2HD LYS 13 5.387 17.229 24.567 238 1HE LYS 13 1HE LYS 13 7.049 18.082 22.694 239 2HE LYS 13 2HE LYS 13 6.428 19.654 23.193 240 1HZ LYS 13 1HZ LYS 13 7.029 19.033 25.505 241 2HZ LYS 13 2HZ LYS 13 8.360 19.172 24.471 242 3HZ LYS 13 3HZ LYS 13 7.782 17.642 24.903 243 H CYS 14 H CYS 14 4.580 12.474 23.156 244 HA CYS 14 HA CYS 14 3.036 10.937 22.481 245 1HB CYS 14 1HB CYS 14 1.299 13.395 22.206 246 2HB CYS 14 2HB CYS 14 0.716 11.759 21.934 247 H SER 15 H SER 15 4.067 10.186 20.688 248 HA SER 15 HA SER 15 3.025 11.135 18.127 249 1HB SER 15 1HB SER 15 5.124 11.428 17.112 250 2HB SER 15 2HB SER 15 5.321 12.181 18.695 251 HG SER 15 HG SER 15 6.385 9.789 17.707 252 H VAL 16 H VAL 16 2.866 9.558 16.553 253 HA VAL 16 HA VAL 16 3.190 6.820 17.526 254 HB VAL 16 HB VAL 16 0.987 7.482 16.631 255 1HG1 VAL 16 1HG1 VAL 16 2.406 7.738 13.982 256 2HG1 VAL 16 2HG1 VAL 16 1.793 9.082 14.945 257 3HG1 VAL 16 3HG1 VAL 16 0.673 7.901 14.267 258 1HG2 VAL 16 1HG2 VAL 16 0.869 5.288 16.280 259 2HG2 VAL 16 2HG2 VAL 16 2.563 5.209 15.799 260 3HG2 VAL 16 3HG2 VAL 16 1.325 5.598 14.605 261 H ASN 17 H ASN 17 5.567 8.119 16.853 262 HA ASN 17 HA ASN 17 7.505 7.745 15.730 263 1HB ASN 17 1HB ASN 17 6.115 5.434 14.373 264 2HB ASN 17 2HB ASN 17 7.843 5.646 14.635 265 1HD2 ASN 17 1HD2 ASN 17 8.597 4.357 16.131 266 2HD2 ASN 17 2HD2 ASN 17 7.774 3.860 17.567 267 H TRP 18 H TRP 18 6.059 9.734 14.731 268 HA TRP 18 HA TRP 18 5.268 9.552 12.050 269 1HB TRP 18 1HB TRP 18 4.835 11.435 13.750 270 2HB TRP 18 2HB TRP 18 6.414 12.052 13.275 271 HD1 TRP 18 HD1 TRP 18 2.875 11.512 11.898 272 HE1 TRP 18 HE1 TRP 18 2.581 12.982 9.805 273 HE3 TRP 18 HE3 TRP 18 7.678 13.193 11.403 274 HZ2 TRP 18 HZ2 TRP 18 4.174 14.634 8.162 275 HZ3 TRP 18 HZ3 TRP 18 8.210 14.713 9.543 276 HH2 TRP 18 HH2 TRP 18 6.493 15.418 7.956 277 H GLY 19 H GLY 19 8.400 9.694 13.479 278 1HA GLY 19 1HA GLY 19 9.610 10.287 10.854 279 2HA GLY 19 2HA GLY 19 10.411 10.512 12.403 280 H GLN 20 H GLN 20 10.012 8.166 13.684 281 HA GLN 20 HA GLN 20 11.961 6.488 12.629 282 1HB GLN 20 1HB GLN 20 9.877 6.226 14.738 283 2HB GLN 20 2HB GLN 20 10.624 4.743 14.161 284 1HG GLN 20 1HG GLN 20 12.814 6.257 14.570 285 2HG GLN 20 2HG GLN 20 11.737 6.911 15.802 286 1HE2 GLN 20 1HE2 GLN 20 10.733 5.346 17.266 287 2HE2 GLN 20 2HE2 GLN 20 11.631 3.942 17.721 288 H ALA 21 H ALA 21 8.453 5.754 12.781 289 HA ALA 21 HA ALA 21 8.697 3.655 10.942 290 1HB ALA 21 1HB ALA 21 6.491 3.237 11.213 291 2HB ALA 21 2HB ALA 21 6.065 4.950 11.226 292 3HB ALA 21 3HB ALA 21 6.784 4.208 12.656 293 H PHE 22 H PHE 22 9.042 6.764 10.403 294 HA PHE 22 HA PHE 22 7.734 7.059 7.883 295 1HB PHE 22 1HB PHE 22 8.682 8.910 9.532 296 2HB PHE 22 2HB PHE 22 10.159 8.667 8.605 297 HD1 PHE 22 HD1 PHE 22 10.500 10.216 6.964 298 HD2 PHE 22 HD2 PHE 22 6.516 9.007 7.842 299 HE1 PHE 22 HE1 PHE 22 9.660 11.736 5.221 300 HE2 PHE 22 HE2 PHE 22 5.668 10.524 6.100 301 HZ PHE 22 HZ PHE 22 7.240 11.891 4.787 302 H GLN 23 H GLN 23 10.870 6.175 9.113 303 HA GLN 23 HA GLN 23 12.060 5.730 6.531 304 1HB GLN 23 1HB GLN 23 12.892 5.655 9.342 305 2HB GLN 23 2HB GLN 23 13.592 4.356 8.383 306 1HG GLN 23 1HG GLN 23 14.160 6.283 6.717 307 2HG GLN 23 2HG GLN 23 13.964 7.300 8.144 308 1HE2 GLN 23 1HE2 GLN 23 16.073 5.400 6.386 309 2HE2 GLN 23 2HE2 GLN 23 17.334 5.249 7.558 310 H GLU 24 H GLU 24 10.088 4.013 8.761 311 HA GLU 24 HA GLU 24 10.765 1.360 8.125 312 1HB GLU 24 1HB GLU 24 8.361 2.671 9.321 313 2HB GLU 24 2HB GLU 24 8.303 0.969 8.891 314 1HG GLU 24 1HG GLU 24 10.187 0.513 10.351 315 2HG GLU 24 2HG GLU 24 10.303 2.225 10.756 316 H ARG 25 H ARG 25 8.378 3.597 6.801 317 HA ARG 25 HA ARG 25 7.187 1.782 5.008 318 1HB ARG 25 1HB ARG 25 7.193 4.729 5.374 319 2HB ARG 25 2HB ARG 25 6.669 4.115 3.811 320 1HG ARG 25 1HG ARG 25 5.426 2.664 5.975 321 2HG ARG 25 2HG ARG 25 5.132 4.398 6.106 322 1HD ARG 25 1HD ARG 25 4.794 3.053 3.464 323 2HD ARG 25 2HD ARG 25 3.539 2.872 4.690 324 HE ARG 25 HE ARG 25 4.164 5.590 4.452 325 1HH1 ARG 25 1HH1 ARG 25 2.684 3.036 2.591 326 2HH1 ARG 25 2HH1 ARG 25 1.655 4.108 1.702 327 1HH2 ARG 25 1HH2 ARG 25 2.811 7.002 3.284 328 2HH2 ARG 25 2HH2 ARG 25 1.728 6.360 2.096 329 H TYR 26 H TYR 26 9.996 3.809 4.804 330 HA TYR 26 HA TYR 26 10.348 3.714 2.007 331 1HB TYR 26 1HB TYR 26 12.250 4.219 4.289 332 2HB TYR 26 2HB TYR 26 12.789 4.219 2.613 333 HD1 TYR 26 HD1 TYR 26 12.672 6.488 4.817 334 HD2 TYR 26 HD2 TYR 26 10.292 5.521 1.423 335 HE1 TYR 26 HE1 TYR 26 12.008 8.847 4.616 336 HE2 TYR 26 HE2 TYR 26 9.623 7.876 1.214 337 HH TYR 26 HH TYR 26 11.161 10.386 2.952 338 H THR 27 H THR 27 11.685 1.742 4.638 339 HA THR 27 HA THR 27 13.262 0.060 3.034 340 HB THR 27 HB THR 27 11.920 -0.606 5.662 341 HG1 THR 27 HG1 THR 27 14.505 0.459 5.206 342 1HG2 THR 27 1HG2 THR 27 13.939 -2.037 5.989 343 2HG2 THR 27 2HG2 THR 27 14.298 -1.807 4.278 344 3HG2 THR 27 3HG2 THR 27 12.806 -2.610 4.764 345 H ALA 28 H ALA 28 9.862 -0.010 3.880 346 HA ALA 28 HA ALA 28 9.290 -2.639 3.059 347 1HB ALA 28 1HB ALA 28 7.721 -0.198 3.621 348 2HB ALA 28 2HB ALA 28 7.534 -1.837 4.243 349 3HB ALA 28 3HB ALA 28 6.942 -1.432 2.632 350 H GLY 29 H GLY 29 9.391 0.422 1.305 351 1HA GLY 29 1HA GLY 29 8.325 -0.637 -1.125 352 2HA GLY 29 2HA GLY 29 9.143 0.905 -0.935 353 H ILE 30 H ILE 30 11.628 0.173 -0.076 354 HA ILE 30 HA ILE 30 12.937 -0.507 -2.442 355 HB ILE 30 HB ILE 30 14.025 -0.798 0.361 356 1HG1 ILE 30 1HG1 ILE 30 14.032 1.573 -1.522 357 2HG1 ILE 30 2HG1 ILE 30 13.138 1.449 -0.011 358 1HG2 ILE 30 1HG2 ILE 30 15.319 -1.894 -1.482 359 2HG2 ILE 30 2HG2 ILE 30 16.197 -0.640 -0.608 360 3HG2 ILE 30 3HG2 ILE 30 15.525 -0.298 -2.202 361 1HD1 ILE 30 1HD1 ILE 30 16.123 1.236 -0.097 362 2HD1 ILE 30 2HD1 ILE 30 15.079 1.598 1.277 363 3HD1 ILE 30 3HD1 ILE 30 15.296 2.790 -0.004 364 H ASN 31 H ASN 31 11.716 -2.509 0.141 365 HA ASN 31 HA ASN 31 13.127 -4.852 -0.177 366 1HB ASN 31 1HB ASN 31 10.516 -4.097 0.881 367 2HB ASN 31 2HB ASN 31 10.520 -5.728 0.217 368 1HD2 ASN 31 1HD2 ASN 31 11.510 -3.701 2.774 369 2HD2 ASN 31 2HD2 ASN 31 12.325 -4.900 3.714 370 H SER 32 H SER 32 9.959 -4.245 -1.717 371 HA SER 32 HA SER 32 10.079 -6.398 -3.491 372 1HB SER 32 1HB SER 32 8.561 -3.801 -3.509 373 2HB SER 32 2HB SER 32 8.436 -4.923 -4.864 374 HG SER 32 HG SER 32 6.833 -5.208 -3.179 375 H PHE 33 H PHE 33 11.379 -3.163 -3.699 376 HA PHE 33 HA PHE 33 12.000 -3.181 -6.456 377 1HB PHE 33 1HB PHE 33 12.097 -1.032 -5.691 378 2HB PHE 33 2HB PHE 33 12.674 -1.512 -4.101 379 HD1 PHE 33 HD1 PHE 33 15.003 -1.619 -3.605 380 HD2 PHE 33 HD2 PHE 33 13.672 -0.721 -7.547 381 HE1 PHE 33 HE1 PHE 33 17.277 -0.892 -4.204 382 HE2 PHE 33 HE2 PHE 33 15.943 0.007 -8.153 383 HZ PHE 33 HZ PHE 33 17.749 -0.079 -6.480 384 H VAL 34 H VAL 34 13.688 -4.289 -3.581 385 HA VAL 34 HA VAL 34 16.250 -4.637 -4.593 386 HB VAL 34 HB VAL 34 14.841 -6.469 -2.641 387 1HG1 VAL 34 1HG1 VAL 34 17.696 -6.001 -2.290 388 2HG1 VAL 34 2HG1 VAL 34 17.307 -6.794 -3.816 389 3HG1 VAL 34 3HG1 VAL 34 16.786 -7.512 -2.293 390 1HG2 VAL 34 1HG2 VAL 34 14.703 -4.632 -1.373 391 2HG2 VAL 34 2HG2 VAL 34 15.800 -3.721 -2.409 392 3HG2 VAL 34 3HG2 VAL 34 16.446 -4.802 -1.175 393 H SER 35 H SER 35 14.001 -7.389 -4.168 394 HA SER 35 HA SER 35 15.301 -9.118 -5.758 395 1HB SER 35 1HB SER 35 13.618 -10.278 -4.741 396 2HB SER 35 2HB SER 35 12.534 -8.892 -4.794 397 HG SER 35 HG SER 35 12.617 -11.024 -6.411 398 H GLY 36 H GLY 36 12.682 -7.013 -6.858 399 1HA GLY 36 1HA GLY 36 12.419 -7.685 -9.458 400 2HA GLY 36 2HA GLY 36 12.569 -5.994 -8.976 401 H VAL 37 H VAL 37 15.127 -5.954 -8.039 402 HA VAL 37 HA VAL 37 16.666 -6.131 -10.468 403 HB VAL 37 HB VAL 37 17.390 -4.867 -7.824 404 1HG1 VAL 37 1HG1 VAL 37 19.060 -5.589 -9.906 405 2HG1 VAL 37 2HG1 VAL 37 19.406 -4.389 -8.661 406 3HG1 VAL 37 3HG1 VAL 37 18.733 -3.883 -10.210 407 1HG2 VAL 37 1HG2 VAL 37 15.755 -3.441 -8.485 408 2HG2 VAL 37 2HG2 VAL 37 15.898 -3.884 -10.186 409 3HG2 VAL 37 3HG2 VAL 37 17.068 -2.782 -9.460 410 H ALA 38 H ALA 38 17.533 -6.648 -7.068 411 HA ALA 38 HA ALA 38 19.506 -8.577 -7.779 412 1HB ALA 38 1HB ALA 38 18.966 -8.209 -4.926 413 2HB ALA 38 2HB ALA 38 19.331 -6.722 -5.811 414 3HB ALA 38 3HB ALA 38 20.476 -8.062 -5.834 415 H SER 39 H SER 39 17.248 -8.714 -5.132 416 HA SER 39 HA SER 39 17.309 -11.455 -4.825 417 1HB SER 39 1HB SER 39 16.689 -9.554 -3.232 418 2HB SER 39 2HB SER 39 15.050 -9.798 -3.832 419 HG SER 39 HG SER 39 15.420 -12.090 -3.265 420 H GLY 40 H GLY 40 16.043 -10.153 -7.480 421 1HA GLY 40 1HA GLY 40 13.863 -12.144 -7.594 422 2HA GLY 40 2HA GLY 40 13.766 -10.577 -8.382 423 H ALA 41 H ALA 41 16.491 -10.585 -9.342 424 HA ALA 41 HA ALA 41 16.970 -12.900 -10.905 425 1HB ALA 41 1HB ALA 41 15.158 -12.301 -12.264 426 2HB ALA 41 2HB ALA 41 16.575 -11.702 -13.127 427 3HB ALA 41 3HB ALA 41 15.568 -10.587 -12.202 428 H GLY 42 H GLY 42 18.718 -11.761 -9.321 429 1HA GLY 42 1HA GLY 42 20.933 -11.195 -10.883 430 2HA GLY 42 2HA GLY 42 20.237 -9.639 -10.455 431 H SER 43 H SER 43 20.911 -12.725 -8.794 432 HA SER 43 HA SER 43 21.899 -11.176 -6.504 433 1HB SER 43 1HB SER 43 21.360 -14.135 -6.452 434 2HB SER 43 2HB SER 43 21.351 -12.985 -5.115 435 HG SER 43 HG SER 43 19.466 -13.090 -7.236 436 H ILE 44 H ILE 44 23.765 -10.962 -8.228 437 HA ILE 44 HA ILE 44 25.885 -11.473 -8.905 438 HB ILE 44 HB ILE 44 25.950 -12.560 -6.093 439 1HG1 ILE 44 1HG1 ILE 44 27.150 -10.281 -5.769 440 2HG1 ILE 44 2HG1 ILE 44 26.387 -9.842 -7.295 441 1HG2 ILE 44 1HG2 ILE 44 28.036 -12.304 -8.163 442 2HG2 ILE 44 2HG2 ILE 44 27.932 -13.400 -6.786 443 3HG2 ILE 44 3HG2 ILE 44 28.473 -11.738 -6.551 444 1HD1 ILE 44 1HD1 ILE 44 25.227 -9.254 -5.062 445 2HD1 ILE 44 2HD1 ILE 44 24.741 -10.949 -5.068 446 3HD1 ILE 44 3HD1 ILE 44 24.266 -9.892 -6.397 447 H GLY 45 H GLY 45 24.769 -13.113 -10.364 448 1HA GLY 45 1HA GLY 45 25.644 -15.846 -9.662 449 2HA GLY 45 2HA GLY 45 24.277 -15.489 -10.706 450 H ARG 46 H ARG 46 25.747 -13.330 -12.085 451 HA ARG 46 HA ARG 46 26.999 -13.059 -13.963 452 1HB ARG 46 1HB ARG 46 28.619 -15.062 -12.428 453 2HB ARG 46 2HB ARG 46 29.103 -14.601 -14.054 454 1HG ARG 46 1HG ARG 46 28.601 -12.568 -11.906 455 2HG ARG 46 2HG ARG 46 30.170 -13.347 -12.123 456 1HD ARG 46 1HD ARG 46 30.100 -12.580 -14.516 457 2HD ARG 46 2HD ARG 46 28.679 -11.626 -14.094 458 HE ARG 46 HE ARG 46 30.937 -11.122 -12.395 459 1HH1 ARG 46 1HH1 ARG 46 29.399 -10.288 -15.414 460 2HH1 ARG 46 2HH1 ARG 46 30.142 -8.726 -15.505 461 1HH2 ARG 46 1HH2 ARG 46 31.915 -9.068 -12.512 462 2HH2 ARG 46 2HH2 ARG 46 31.571 -8.035 -13.859 Start of MODEL 7 1 1H MET -18 1H MET -18 -9.833 41.215 -8.276 2 2H MET -18 2H MET -18 -11.111 41.106 -9.417 3 3H MET -18 3H MET -18 -9.896 42.305 -9.598 4 HA MET -18 HA MET -18 -9.691 39.402 -9.951 5 1HB MET -18 1HB MET -18 -9.760 41.821 -11.618 6 2HB MET -18 2HB MET -18 -8.465 40.707 -12.035 7 1HG MET -18 1HG MET -18 -10.446 40.276 -13.359 8 2HG MET -18 2HG MET -18 -10.080 38.909 -12.307 9 1HE MET -18 1HE MET -18 -12.387 42.372 -11.598 10 2HE MET -18 2HE MET -18 -13.713 41.565 -12.434 11 3HE MET -18 3HE MET -18 -12.162 41.782 -13.245 12 H ASN -17 H ASN -17 -7.793 42.415 -9.797 13 HA ASN -17 HA ASN -17 -5.334 40.892 -9.510 14 1HB ASN -17 1HB ASN -17 -6.005 43.777 -9.941 15 2HB ASN -17 2HB ASN -17 -4.424 43.354 -9.290 16 1HD2 ASN -17 1HD2 ASN -17 -3.052 41.996 -10.548 17 2HD2 ASN -17 2HD2 ASN -17 -3.209 41.950 -12.268 18 H SER -16 H SER -16 -6.655 40.144 -7.419 19 HA SER -16 HA SER -16 -6.165 41.933 -5.170 20 1HB SER -16 1HB SER -16 -7.177 39.195 -4.669 21 2HB SER -16 2HB SER -16 -7.736 40.741 -4.028 22 HG SER -16 HG SER -16 -8.903 41.082 -5.862 23 H VAL -15 H VAL -15 -4.069 41.970 -4.589 24 HA VAL -15 HA VAL -15 -2.561 39.469 -4.501 25 HB VAL -15 HB VAL -15 -1.535 42.252 -3.947 26 1HG1 VAL -15 1HG1 VAL -15 -0.158 40.420 -3.079 27 2HG1 VAL -15 2HG1 VAL -15 0.650 41.277 -4.391 28 3HG1 VAL -15 3HG1 VAL -15 -0.097 39.707 -4.692 29 1HG2 VAL -15 1HG2 VAL -15 -0.841 42.420 -6.210 30 2HG2 VAL -15 2HG2 VAL -15 -2.543 41.960 -6.239 31 3HG2 VAL -15 3HG2 VAL -15 -1.297 40.750 -6.545 32 H LYS -14 H LYS -14 -4.121 41.742 -2.446 33 HA LYS -14 HA LYS -14 -2.745 40.833 -0.057 34 1HB LYS -14 1HB LYS -14 -3.402 43.180 -0.168 35 2HB LYS -14 2HB LYS -14 -5.080 42.726 -0.433 36 1HG LYS -14 1HG LYS -14 -4.820 43.409 1.840 37 2HG LYS -14 2HG LYS -14 -5.093 41.667 1.809 38 1HD LYS -14 1HD LYS -14 -3.323 41.677 3.226 39 2HD LYS -14 2HD LYS -14 -2.416 41.691 1.712 40 1HE LYS -14 1HE LYS -14 -2.006 44.001 1.857 41 2HE LYS -14 2HE LYS -14 -3.243 44.226 3.093 42 1HZ LYS -14 1HZ LYS -14 -0.494 43.327 3.363 43 2HZ LYS -14 2HZ LYS -14 -1.625 42.517 4.327 44 3HZ LYS -14 3HZ LYS -14 -1.462 44.197 4.445 45 H GLU -13 H GLU -13 -5.754 40.377 -1.766 46 HA GLU -13 HA GLU -13 -6.935 38.787 0.303 47 1HB GLU -13 1HB GLU -13 -7.790 39.968 -2.200 48 2HB GLU -13 2HB GLU -13 -8.331 38.300 -2.066 49 1HG GLU -13 1HG GLU -13 -9.232 38.913 0.213 50 2HG GLU -13 2HG GLU -13 -8.921 40.594 -0.220 51 H LEU -12 H LEU -12 -5.157 38.312 -2.649 52 HA LEU -12 HA LEU -12 -5.554 35.464 -2.702 53 1HB LEU -12 1HB LEU -12 -5.199 36.750 -4.766 54 2HB LEU -12 2HB LEU -12 -3.595 37.189 -4.213 55 HG LEU -12 HG LEU -12 -3.403 34.496 -4.094 56 1HD1 LEU -12 1HD1 LEU -12 -4.707 33.369 -5.545 57 2HD1 LEU -12 2HD1 LEU -12 -4.800 34.716 -6.679 58 3HD1 LEU -12 3HD1 LEU -12 -5.825 34.698 -5.243 59 1HD2 LEU -12 1HD2 LEU -12 -2.942 36.257 -6.498 60 2HD2 LEU -12 2HD2 LEU -12 -2.258 34.647 -6.276 61 3HD2 LEU -12 3HD2 LEU -12 -1.812 35.954 -5.179 62 H ASN -11 H ASN -11 -3.334 37.659 -1.241 63 HA ASN -11 HA ASN -11 -1.175 35.858 -0.895 64 1HB ASN -11 1HB ASN -11 -1.880 38.559 0.024 65 2HB ASN -11 2HB ASN -11 -0.877 37.648 1.148 66 1HD2 ASN -11 1HD2 ASN -11 -0.886 37.452 -2.369 67 2HD2 ASN -11 2HD2 ASN -11 0.732 38.015 -2.584 68 H VAL -10 H VAL -10 -4.057 36.573 0.900 69 HA VAL -10 HA VAL -10 -3.295 35.180 3.279 70 HB VAL -10 HB VAL -10 -6.091 35.873 2.372 71 1HG1 VAL -10 1HG1 VAL -10 -5.341 35.860 5.224 72 2HG1 VAL -10 2HG1 VAL -10 -5.387 34.286 4.430 73 3HG1 VAL -10 3HG1 VAL -10 -6.820 35.314 4.434 74 1HG2 VAL -10 1HG2 VAL -10 -4.476 37.554 4.247 75 2HG2 VAL -10 2HG2 VAL -10 -5.886 37.992 3.282 76 3HG2 VAL -10 3HG2 VAL -10 -4.320 37.766 2.504 77 H LYS -9 H LYS -9 -5.480 34.422 0.571 78 HA LYS -9 HA LYS -9 -6.306 31.904 1.411 79 1HB LYS -9 1HB LYS -9 -6.086 33.266 -1.231 80 2HB LYS -9 2HB LYS -9 -6.372 31.531 -1.224 81 1HG LYS -9 1HG LYS -9 -8.518 31.826 -0.766 82 2HG LYS -9 2HG LYS -9 -8.133 32.825 0.637 83 1HD LYS -9 1HD LYS -9 -7.622 34.593 -1.312 84 2HD LYS -9 2HD LYS -9 -8.845 33.614 -2.126 85 1HE LYS -9 1HE LYS -9 -9.501 34.332 0.641 86 2HE LYS -9 2HE LYS -9 -9.367 35.706 -0.456 87 1HZ LYS -9 1HZ LYS -9 -11.338 33.572 -0.388 88 2HZ LYS -9 2HZ LYS -9 -10.831 34.052 -1.928 89 3HZ LYS -9 3HZ LYS -9 -11.504 35.186 -0.868 90 H GLU -8 H GLU -8 -3.450 32.835 -0.460 91 HA GLU -8 HA GLU -8 -2.498 30.322 -1.135 92 1HB GLU -8 1HB GLU -8 -1.401 33.016 -0.929 93 2HB GLU -8 2HB GLU -8 -0.203 31.765 -0.623 94 1HG GLU -8 1HG GLU -8 -1.974 31.836 -3.052 95 2HG GLU -8 2HG GLU -8 -0.350 32.520 -2.990 96 H MET -7 H MET -7 -1.065 32.249 1.435 97 HA MET -7 HA MET -7 0.255 30.181 2.726 98 1HB MET -7 1HB MET -7 0.427 31.673 4.650 99 2HB MET -7 2HB MET -7 0.714 32.552 3.154 100 1HG MET -7 1HG MET -7 -1.062 33.878 3.441 101 2HG MET -7 2HG MET -7 -2.073 32.566 4.045 102 1HE MET -7 1HE MET -7 -1.810 31.515 6.272 103 2HE MET -7 2HE MET -7 -1.425 32.395 7.751 104 3HE MET -7 3HE MET -7 -0.136 31.652 6.805 105 H LYS -6 H LYS -6 -3.093 31.050 2.815 106 HA LYS -6 HA LYS -6 -3.916 30.037 5.257 107 1HB LYS -6 1HB LYS -6 -5.150 30.876 2.841 108 2HB LYS -6 2HB LYS -6 -5.850 29.322 3.270 109 1HG LYS -6 1HG LYS -6 -5.662 31.665 5.149 110 2HG LYS -6 2HG LYS -6 -7.079 31.282 4.168 111 1HD LYS -6 1HD LYS -6 -7.426 29.234 5.310 112 2HD LYS -6 2HD LYS -6 -5.845 29.321 6.089 113 1HE LYS -6 1HE LYS -6 -6.967 31.645 6.925 114 2HE LYS -6 2HE LYS -6 -8.388 30.607 6.811 115 1HZ LYS -6 1HZ LYS -6 -7.440 29.073 8.318 116 2HZ LYS -6 2HZ LYS -6 -7.231 30.601 9.010 117 3HZ LYS -6 3HZ LYS -6 -5.925 29.826 8.265 118 H GLN -5 H GLN -5 -4.236 28.249 2.179 119 HA GLN -5 HA GLN -5 -4.326 25.750 3.614 120 1HB GLN -5 1HB GLN -5 -4.564 26.531 0.737 121 2HB GLN -5 2HB GLN -5 -4.484 24.846 1.227 122 1HG GLN -5 1HG GLN -5 -6.772 25.362 0.970 123 2HG GLN -5 2HG GLN -5 -6.467 25.291 2.705 124 1HE2 GLN -5 1HE2 GLN -5 -8.214 26.580 3.217 125 2HE2 GLN -5 2HE2 GLN -5 -8.252 28.275 2.885 126 H LEU -4 H LEU -4 -1.831 27.501 3.263 127 HA LEU -4 HA LEU -4 -0.031 25.705 1.878 128 1HB LEU -4 1HB LEU -4 -0.017 28.360 2.006 129 2HB LEU -4 2HB LEU -4 0.967 28.037 3.420 130 HG LEU -4 HG LEU -4 2.329 28.452 1.419 131 1HD1 LEU -4 1HD1 LEU -4 2.783 25.572 1.900 132 2HD1 LEU -4 2HD1 LEU -4 2.775 26.623 3.316 133 3HD1 LEU -4 3HD1 LEU -4 3.902 26.932 1.995 134 1HD2 LEU -4 1HD2 LEU -4 2.089 27.375 -0.551 135 2HD2 LEU -4 2HD2 LEU -4 0.441 27.136 0.029 136 3HD2 LEU -4 3HD2 LEU -4 1.636 25.852 0.213 137 H HIS -3 H HIS -3 -0.012 27.257 5.040 138 HA HIS -3 HA HIS -3 1.835 25.463 6.189 139 1HB HIS -3 1HB HIS -3 0.818 27.874 6.925 140 2HB HIS -3 2HB HIS -3 -0.036 26.805 8.032 141 HD1 HIS -3 HD1 HIS -3 2.776 24.933 7.885 142 HD2 HIS -3 HD2 HIS -3 2.158 28.782 9.327 143 HE1 HIS -3 HE1 HIS -3 4.652 25.353 9.504 144 HE2 HIS -3 HE2 HIS -3 4.308 27.720 10.295 145 H GLY -2 H GLY -2 -1.528 25.218 5.600 146 1HA GLY -2 1HA GLY -2 -2.397 23.577 7.675 147 2HA GLY -2 2HA GLY -2 -3.049 23.560 6.044 148 H GLY -1 H GLY -1 -1.605 21.708 8.362 149 1HA GLY -1 1HA GLY -1 -0.940 19.500 8.303 150 2HA GLY -1 2HA GLY -1 -1.279 19.496 6.578 151 H VAL 1 H VAL 1 0.910 18.172 7.701 152 HA VAL 1 HA VAL 1 3.268 19.795 7.391 153 HB VAL 1 HB VAL 1 4.504 17.664 7.681 154 1HG1 VAL 1 1HG1 VAL 1 3.767 17.241 10.004 155 2HG1 VAL 1 2HG1 VAL 1 2.332 18.220 9.697 156 3HG1 VAL 1 3HG1 VAL 1 3.933 18.957 9.635 157 1HG2 VAL 1 1HG2 VAL 1 3.495 15.599 7.851 158 2HG2 VAL 1 2HG2 VAL 1 2.510 16.364 6.605 159 3HG2 VAL 1 3HG2 VAL 1 1.923 16.281 8.266 160 H ASN 2 H ASN 2 5.080 18.566 5.995 161 HA ASN 2 HA ASN 2 3.935 17.952 3.358 162 1HB ASN 2 1HB ASN 2 4.960 20.368 3.781 163 2HB ASN 2 2HB ASN 2 6.473 19.515 3.484 164 1HD2 ASN 2 1HD2 ASN 2 3.214 19.320 2.092 165 2HD2 ASN 2 2HD2 ASN 2 3.719 19.520 0.452 166 H TYR 3 H TYR 3 4.642 15.942 4.981 167 HA TYR 3 HA TYR 3 5.899 14.053 5.108 168 1HB TYR 3 1HB TYR 3 6.816 15.130 2.448 169 2HB TYR 3 2HB TYR 3 7.434 13.617 3.100 170 HD1 TYR 3 HD1 TYR 3 4.044 15.185 2.837 171 HD2 TYR 3 HD2 TYR 3 6.483 11.778 2.098 172 HE1 TYR 3 HE1 TYR 3 2.098 14.000 1.915 173 HE2 TYR 3 HE2 TYR 3 4.543 10.583 1.172 174 HH TYR 3 HH TYR 3 1.346 11.721 1.520 175 H GLY 4 H GLY 4 6.923 15.016 6.992 176 1HA GLY 4 1HA GLY 4 9.798 15.454 6.513 177 2HA GLY 4 2HA GLY 4 8.904 16.529 7.577 178 H ASN 5 H ASN 5 8.775 16.022 9.672 179 HA ASN 5 HA ASN 5 9.549 13.295 10.468 180 1HB ASN 5 1HB ASN 5 10.432 15.949 11.459 181 2HB ASN 5 2HB ASN 5 10.203 14.686 12.665 182 1HD2 ASN 5 1HD2 ASN 5 12.203 15.924 10.213 183 2HD2 ASN 5 2HD2 ASN 5 13.417 14.696 10.256 184 H GLY 6 H GLY 6 7.258 15.841 10.778 185 1HA GLY 6 1HA GLY 6 5.247 15.980 11.873 186 2HA GLY 6 2HA GLY 6 5.295 14.225 11.944 187 H VAL 7 H VAL 7 7.302 16.749 13.461 188 HA VAL 7 HA VAL 7 7.055 15.362 16.011 189 HB VAL 7 HB VAL 7 8.644 17.862 15.739 190 1HG1 VAL 7 1HG1 VAL 7 9.589 17.115 17.616 191 2HG1 VAL 7 2HG1 VAL 7 9.972 15.562 16.874 192 3HG1 VAL 7 3HG1 VAL 7 8.395 15.817 17.621 193 1HG2 VAL 7 1HG2 VAL 7 10.560 16.482 14.831 194 2HG2 VAL 7 2HG2 VAL 7 9.280 16.881 13.686 195 3HG2 VAL 7 3HG2 VAL 7 9.357 15.269 14.395 196 H SER 8 H SER 8 7.395 17.527 17.760 197 HA SER 8 HA SER 8 6.162 18.956 19.016 198 1HB SER 8 1HB SER 8 6.698 20.245 16.800 199 2HB SER 8 2HB SER 8 4.963 20.096 16.522 200 HG SER 8 HG SER 8 4.559 21.352 18.234 201 H CYS 9 H CYS 9 3.847 19.855 19.352 202 HA CYS 9 HA CYS 9 1.980 17.640 18.845 203 1HB CYS 9 1HB CYS 9 1.621 19.743 20.968 204 2HB CYS 9 2HB CYS 9 0.898 18.142 20.878 205 H SER 10 H SER 10 0.554 18.025 17.296 206 HA SER 10 HA SER 10 -1.039 20.411 17.315 207 1HB SER 10 1HB SER 10 -0.461 20.790 14.791 208 2HB SER 10 2HB SER 10 0.579 21.479 16.037 209 HG SER 10 HG SER 10 1.641 20.284 14.273 210 H LYS 11 H LYS 11 -2.983 19.554 17.115 211 HA LYS 11 HA LYS 11 -4.757 18.362 16.363 212 1HB LYS 11 1HB LYS 11 -3.812 19.420 14.218 213 2HB LYS 11 2HB LYS 11 -3.233 17.801 13.847 214 1HG LYS 11 1HG LYS 11 -5.711 17.123 14.315 215 2HG LYS 11 2HG LYS 11 -6.026 18.828 13.989 216 1HD LYS 11 1HD LYS 11 -6.170 18.114 11.852 217 2HD LYS 11 2HD LYS 11 -4.411 18.237 11.913 218 1HE LYS 11 1HE LYS 11 -4.119 15.989 11.930 219 2HE LYS 11 2HE LYS 11 -5.587 15.698 12.860 220 1HZ LYS 11 1HZ LYS 11 -5.905 16.673 10.127 221 2HZ LYS 11 2HZ LYS 11 -6.853 15.578 11.001 222 3HZ LYS 11 3HZ LYS 11 -5.390 15.072 10.318 223 H THR 12 H THR 12 -1.910 16.948 17.104 224 HA THR 12 HA THR 12 -3.089 14.341 17.176 225 HB THR 12 HB THR 12 -1.985 14.420 14.979 226 HG1 THR 12 HG1 THR 12 -2.060 12.405 15.841 227 1HG2 THR 12 1HG2 THR 12 0.683 14.108 15.760 228 2HG2 THR 12 2HG2 THR 12 0.082 15.588 16.503 229 3HG2 THR 12 3HG2 THR 12 -0.026 15.374 14.758 230 H LYS 13 H LYS 13 -1.275 12.754 18.126 231 HA LYS 13 HA LYS 13 -0.703 13.767 20.710 232 1HB LYS 13 1HB LYS 13 0.499 11.580 21.005 233 2HB LYS 13 2HB LYS 13 -1.179 11.439 20.501 234 1HG LYS 13 1HG LYS 13 0.360 11.542 18.147 235 2HG LYS 13 2HG LYS 13 1.177 10.426 19.243 236 1HD LYS 13 1HD LYS 13 -1.783 10.250 18.811 237 2HD LYS 13 2HD LYS 13 -0.663 9.521 17.659 238 1HE LYS 13 1HE LYS 13 -0.489 8.969 20.606 239 2HE LYS 13 2HE LYS 13 -1.559 8.047 19.550 240 1HZ LYS 13 1HZ LYS 13 0.571 6.948 19.833 241 2HZ LYS 13 2HZ LYS 13 1.383 8.303 19.229 242 3HZ LYS 13 3HZ LYS 13 0.356 7.414 18.221 243 H CYS 14 H CYS 14 1.573 13.457 21.667 244 HA CYS 14 HA CYS 14 3.437 14.904 19.932 245 1HB CYS 14 1HB CYS 14 3.721 14.418 22.898 246 2HB CYS 14 2HB CYS 14 4.559 15.615 21.915 247 H SER 15 H SER 15 2.970 12.044 19.644 248 HA SER 15 HA SER 15 5.726 11.193 19.697 249 1HB SER 15 1HB SER 15 4.846 10.569 21.964 250 2HB SER 15 2HB SER 15 3.668 9.530 21.165 251 HG SER 15 HG SER 15 6.484 9.312 20.875 252 H VAL 16 H VAL 16 3.927 11.762 17.614 253 HA VAL 16 HA VAL 16 2.704 9.425 16.571 254 HB VAL 16 HB VAL 16 2.038 11.679 15.854 255 1HG1 VAL 16 1HG1 VAL 16 4.690 11.761 14.419 256 2HG1 VAL 16 2HG1 VAL 16 4.274 12.698 15.853 257 3HG1 VAL 16 3HG1 VAL 16 3.417 12.979 14.338 258 1HG2 VAL 16 1HG2 VAL 16 3.110 10.105 13.518 259 2HG2 VAL 16 2HG2 VAL 16 1.722 11.193 13.534 260 3HG2 VAL 16 3HG2 VAL 16 1.658 9.669 14.419 261 H ASN 17 H ASN 17 3.346 8.284 14.612 262 HA ASN 17 HA ASN 17 6.229 7.792 14.602 263 1HB ASN 17 1HB ASN 17 3.837 6.196 13.744 264 2HB ASN 17 2HB ASN 17 5.436 5.794 13.126 265 1HD2 ASN 17 1HD2 ASN 17 6.568 4.401 14.263 266 2HD2 ASN 17 2HD2 ASN 17 6.337 4.025 15.933 267 H TRP 18 H TRP 18 5.344 10.159 13.363 268 HA TRP 18 HA TRP 18 5.061 9.844 10.561 269 1HB TRP 18 1HB TRP 18 5.021 11.990 12.421 270 2HB TRP 18 2HB TRP 18 6.200 12.393 11.175 271 HD1 TRP 18 HD1 TRP 18 2.557 12.438 11.843 272 HE1 TRP 18 HE1 TRP 18 1.262 13.025 9.701 273 HE3 TRP 18 HE3 TRP 18 6.331 11.904 8.435 274 HZ2 TRP 18 HZ2 TRP 18 1.768 13.239 6.931 275 HZ3 TRP 18 HZ3 TRP 18 5.841 12.318 6.060 276 HH2 TRP 18 HH2 TRP 18 3.607 12.971 5.324 277 H GLY 19 H GLY 19 7.759 9.738 12.678 278 1HA GLY 19 1HA GLY 19 9.622 10.082 10.417 279 2HA GLY 19 2HA GLY 19 10.052 10.268 12.112 280 H GLN 20 H GLN 20 8.998 8.015 13.243 281 HA GLN 20 HA GLN 20 10.937 6.083 12.751 282 1HB GLN 20 1HB GLN 20 9.443 6.284 14.793 283 2HB GLN 20 2HB GLN 20 8.182 5.502 13.850 284 1HG GLN 20 1HG GLN 20 9.086 3.476 14.095 285 2HG GLN 20 2HG GLN 20 10.726 4.070 13.835 286 1HE2 GLN 20 1HE2 GLN 20 11.822 3.237 15.490 287 2HE2 GLN 20 2HE2 GLN 20 11.432 3.460 17.158 288 H ALA 21 H ALA 21 7.460 5.829 11.905 289 HA ALA 21 HA ALA 21 7.920 3.676 10.178 290 1HB ALA 21 1HB ALA 21 5.695 4.544 11.282 291 2HB ALA 21 2HB ALA 21 5.700 3.558 9.818 292 3HB ALA 21 3HB ALA 21 5.525 5.311 9.702 293 H PHE 22 H PHE 22 8.747 6.741 9.810 294 HA PHE 22 HA PHE 22 8.288 7.142 7.032 295 1HB PHE 22 1HB PHE 22 9.014 8.877 8.893 296 2HB PHE 22 2HB PHE 22 10.638 8.375 8.432 297 HD1 PHE 22 HD1 PHE 22 7.513 9.096 6.519 298 HD2 PHE 22 HD2 PHE 22 11.642 9.946 7.108 299 HE1 PHE 22 HE1 PHE 22 7.458 10.659 4.621 300 HE2 PHE 22 HE2 PHE 22 11.593 11.513 5.211 301 HZ PHE 22 HZ PHE 22 9.500 11.872 3.965 302 H GLN 23 H GLN 23 10.762 5.794 9.068 303 HA GLN 23 HA GLN 23 12.523 5.086 6.895 304 1HB GLN 23 1HB GLN 23 12.581 5.041 9.827 305 2HB GLN 23 2HB GLN 23 13.313 3.614 9.101 306 1HG GLN 23 1HG GLN 23 14.054 6.379 8.216 307 2HG GLN 23 2HG GLN 23 14.818 5.612 9.607 308 1HE2 GLN 23 1HE2 GLN 23 16.828 5.589 8.607 309 2HE2 GLN 23 2HE2 GLN 23 17.204 4.498 7.321 310 H GLU 24 H GLU 24 9.871 3.687 8.659 311 HA GLU 24 HA GLU 24 10.406 0.981 8.043 312 1HB GLU 24 1HB GLU 24 8.562 0.472 9.236 313 2HB GLU 24 2HB GLU 24 8.746 2.124 9.790 314 1HG GLU 24 1HG GLU 24 6.978 2.885 8.470 315 2HG GLU 24 2HG GLU 24 7.016 1.463 7.433 316 H ARG 25 H ARG 25 8.319 3.422 6.561 317 HA ARG 25 HA ARG 25 7.288 1.749 4.543 318 1HB ARG 25 1HB ARG 25 7.413 4.684 5.010 319 2HB ARG 25 2HB ARG 25 7.043 4.133 3.381 320 1HG ARG 25 1HG ARG 25 5.454 2.677 5.261 321 2HG ARG 25 2HG ARG 25 5.291 4.408 5.559 322 1HD ARG 25 1HD ARG 25 5.161 3.469 2.746 323 2HD ARG 25 2HD ARG 25 3.782 3.122 3.789 324 HE ARG 25 HE ARG 25 4.252 5.766 4.193 325 1HH1 ARG 25 1HH1 ARG 25 3.714 3.811 1.353 326 2HH1 ARG 25 2HH1 ARG 25 2.974 5.095 0.456 327 1HH2 ARG 25 1HH2 ARG 25 3.279 7.455 3.015 328 2HH2 ARG 25 2HH2 ARG 25 2.727 7.163 1.400 329 H TYR 26 H TYR 26 10.202 3.602 4.828 330 HA TYR 26 HA TYR 26 10.947 3.576 2.099 331 1HB TYR 26 1HB TYR 26 12.271 4.207 4.675 332 2HB TYR 26 2HB TYR 26 13.332 3.766 3.342 333 HD1 TYR 26 HD1 TYR 26 10.248 5.859 3.712 334 HD2 TYR 26 HD2 TYR 26 14.245 5.590 2.279 335 HE1 TYR 26 HE1 TYR 26 10.080 8.149 2.832 336 HE2 TYR 26 HE2 TYR 26 14.088 7.879 1.395 337 HH TYR 26 HH TYR 26 12.306 10.055 2.222 338 H THR 27 H THR 27 11.706 1.464 4.838 339 HA THR 27 HA THR 27 13.462 -0.247 3.429 340 HB THR 27 HB THR 27 11.772 -0.901 5.849 341 HG1 THR 27 HG1 THR 27 13.032 0.928 6.238 342 1HG2 THR 27 1HG2 THR 27 13.434 -2.574 4.414 343 2HG2 THR 27 2HG2 THR 27 12.880 -2.804 6.072 344 3HG2 THR 27 3HG2 THR 27 14.431 -2.023 5.760 345 H ALA 28 H ALA 28 9.981 -0.252 3.942 346 HA ALA 28 HA ALA 28 9.486 -2.828 2.887 347 1HB ALA 28 1HB ALA 28 7.152 -2.126 2.773 348 2HB ALA 28 2HB ALA 28 7.634 -0.453 3.049 349 3HB ALA 28 3HB ALA 28 7.878 -1.660 4.310 350 H GLY 29 H GLY 29 9.709 0.375 1.448 351 1HA GLY 29 1HA GLY 29 8.732 -0.422 -1.122 352 2HA GLY 29 2HA GLY 29 9.559 1.081 -0.743 353 H ILE 30 H ILE 30 12.003 0.418 0.033 354 HA ILE 30 HA ILE 30 13.339 -0.229 -2.336 355 HB ILE 30 HB ILE 30 14.424 -0.376 0.479 356 1HG1 ILE 30 1HG1 ILE 30 14.344 1.895 -1.519 357 2HG1 ILE 30 2HG1 ILE 30 13.477 1.818 0.010 358 1HG2 ILE 30 1HG2 ILE 30 15.908 0.004 -2.118 359 2HG2 ILE 30 2HG2 ILE 30 15.796 -1.524 -1.244 360 3HG2 ILE 30 3HG2 ILE 30 16.605 -0.143 -0.504 361 1HD1 ILE 30 1HD1 ILE 30 15.969 2.945 -0.459 362 2HD1 ILE 30 2HD1 ILE 30 16.302 1.448 0.412 363 3HD1 ILE 30 3HD1 ILE 30 15.211 2.647 1.106 364 H ASN 31 H ASN 31 12.341 -2.226 0.374 365 HA ASN 31 HA ASN 31 13.850 -4.507 -0.050 366 1HB ASN 31 1HB ASN 31 11.308 -3.870 1.265 367 2HB ASN 31 2HB ASN 31 11.399 -5.531 0.687 368 1HD2 ASN 31 1HD2 ASN 31 11.531 -4.138 3.398 369 2HD2 ASN 31 2HD2 ASN 31 12.899 -4.868 4.160 370 H SER 32 H SER 32 10.482 -4.125 -1.178 371 HA SER 32 HA SER 32 10.536 -6.287 -2.951 372 1HB SER 32 1HB SER 32 8.857 -3.786 -3.251 373 2HB SER 32 2HB SER 32 8.494 -5.393 -3.882 374 HG SER 32 HG SER 32 8.213 -6.122 -1.785 375 H PHE 33 H PHE 33 11.593 -2.987 -3.294 376 HA PHE 33 HA PHE 33 11.799 -2.906 -6.105 377 1HB PHE 33 1HB PHE 33 11.927 -0.785 -5.246 378 2HB PHE 33 2HB PHE 33 12.818 -1.301 -3.822 379 HD1 PHE 33 HD1 PHE 33 13.192 -0.685 -7.464 380 HD2 PHE 33 HD2 PHE 33 15.107 -0.961 -3.673 381 HE1 PHE 33 HE1 PHE 33 15.274 0.173 -8.458 382 HE2 PHE 33 HE2 PHE 33 17.192 -0.103 -4.660 383 HZ PHE 33 HZ PHE 33 17.277 0.466 -7.055 384 H VAL 34 H VAL 34 14.115 -3.758 -3.554 385 HA VAL 34 HA VAL 34 16.381 -4.122 -5.119 386 HB VAL 34 HB VAL 34 15.599 -5.759 -2.697 387 1HG1 VAL 34 1HG1 VAL 34 17.743 -6.108 -4.408 388 2HG1 VAL 34 2HG1 VAL 34 17.615 -6.713 -2.757 389 3HG1 VAL 34 3HG1 VAL 34 18.418 -5.175 -3.073 390 1HG2 VAL 34 1HG2 VAL 34 17.464 -3.798 -1.988 391 2HG2 VAL 34 2HG2 VAL 34 15.760 -3.871 -1.538 392 3HG2 VAL 34 3HG2 VAL 34 16.256 -2.972 -2.972 393 H SER 35 H SER 35 14.567 -6.925 -3.845 394 HA SER 35 HA SER 35 15.538 -8.746 -5.556 395 1HB SER 35 1HB SER 35 14.289 -9.979 -4.127 396 2HB SER 35 2HB SER 35 13.265 -8.595 -3.767 397 HG SER 35 HG SER 35 12.694 -10.725 -5.245 398 H GLY 36 H GLY 36 12.511 -6.990 -6.087 399 1HA GLY 36 1HA GLY 36 11.645 -7.996 -8.436 400 2HA GLY 36 2HA GLY 36 11.728 -6.252 -8.181 401 H VAL 37 H VAL 37 14.429 -5.900 -7.999 402 HA VAL 37 HA VAL 37 15.268 -6.238 -10.733 403 HB VAL 37 HB VAL 37 16.518 -4.612 -8.517 404 1HG1 VAL 37 1HG1 VAL 37 17.620 -3.461 -10.497 405 2HG1 VAL 37 2HG1 VAL 37 17.120 -4.854 -11.455 406 3HG1 VAL 37 3HG1 VAL 37 18.214 -5.070 -10.090 407 1HG2 VAL 37 1HG2 VAL 37 15.571 -2.778 -10.211 408 2HG2 VAL 37 2HG2 VAL 37 14.628 -3.406 -8.861 409 3HG2 VAL 37 3HG2 VAL 37 14.378 -4.048 -10.485 410 H ALA 38 H ALA 38 17.060 -6.285 -7.673 411 HA ALA 38 HA ALA 38 18.975 -8.115 -8.723 412 1HB ALA 38 1HB ALA 38 20.363 -7.300 -7.172 413 2HB ALA 38 2HB ALA 38 19.169 -7.458 -5.877 414 3HB ALA 38 3HB ALA 38 19.124 -6.062 -6.960 415 H SER 39 H SER 39 17.525 -8.127 -5.557 416 HA SER 39 HA SER 39 17.952 -10.808 -5.047 417 1HB SER 39 1HB SER 39 17.535 -8.741 -3.538 418 2HB SER 39 2HB SER 39 15.866 -9.305 -3.579 419 HG SER 39 HG SER 39 16.711 -11.383 -2.890 420 H GLY 40 H GLY 40 15.935 -9.944 -7.369 421 1HA GLY 40 1HA GLY 40 14.297 -12.321 -6.990 422 2HA GLY 40 2HA GLY 40 13.435 -10.795 -7.116 423 H ALA 41 H ALA 41 16.157 -12.340 -8.826 424 HA ALA 41 HA ALA 41 14.663 -12.206 -11.299 425 1HB ALA 41 1HB ALA 41 17.414 -11.145 -11.506 426 2HB ALA 41 2HB ALA 41 16.197 -10.087 -10.793 427 3HB ALA 41 3HB ALA 41 15.966 -10.726 -12.421 428 H GLY 42 H GLY 42 14.840 -14.546 -10.627 429 1HA GLY 42 1HA GLY 42 15.669 -16.637 -11.079 430 2HA GLY 42 2HA GLY 42 16.675 -15.871 -12.300 431 H SER 43 H SER 43 16.508 -17.036 -9.029 432 HA SER 43 HA SER 43 19.138 -16.178 -8.293 433 1HB SER 43 1HB SER 43 17.150 -16.721 -6.732 434 2HB SER 43 2HB SER 43 17.642 -18.402 -6.939 435 HG SER 43 HG SER 43 19.447 -16.378 -6.131 436 H ILE 44 H ILE 44 17.803 -19.420 -8.630 437 HA ILE 44 HA ILE 44 20.454 -20.367 -9.481 438 HB ILE 44 HB ILE 44 18.177 -22.067 -8.470 439 1HG1 ILE 44 1HG1 ILE 44 18.919 -20.456 -6.742 440 2HG1 ILE 44 2HG1 ILE 44 19.309 -22.120 -6.315 441 1HG2 ILE 44 1HG2 ILE 44 19.503 -23.613 -9.433 442 2HG2 ILE 44 2HG2 ILE 44 20.434 -23.437 -7.945 443 3HG2 ILE 44 3HG2 ILE 44 20.925 -22.570 -9.401 444 1HD1 ILE 44 1HD1 ILE 44 21.320 -20.357 -7.655 445 2HD1 ILE 44 2HD1 ILE 44 21.581 -21.807 -6.684 446 3HD1 ILE 44 3HD1 ILE 44 21.069 -20.308 -5.910 447 H GLY 45 H GLY 45 18.831 -19.072 -11.364 448 1HA GLY 45 1HA GLY 45 18.169 -21.336 -13.138 449 2HA GLY 45 2HA GLY 45 17.132 -19.922 -13.040 450 H ARG 46 H ARG 46 17.722 -18.035 -14.077 451 HA ARG 46 HA ARG 46 20.219 -18.095 -15.623 452 1HB ARG 46 1HB ARG 46 17.937 -18.686 -16.856 453 2HB ARG 46 2HB ARG 46 17.791 -16.935 -16.903 454 1HG ARG 46 1HG ARG 46 20.328 -18.204 -17.811 455 2HG ARG 46 2HG ARG 46 18.915 -18.237 -18.867 456 1HD ARG 46 1HD ARG 46 19.367 -16.160 -19.507 457 2HD ARG 46 2HD ARG 46 19.137 -15.609 -17.847 458 HE ARG 46 HE ARG 46 21.409 -15.437 -17.624 459 1HH1 ARG 46 1HH1 ARG 46 20.693 -17.327 -20.469 460 2HH1 ARG 46 2HH1 ARG 46 22.337 -17.362 -21.012 461 1HH2 ARG 46 1HH2 ARG 46 23.571 -15.482 -18.336 462 2HH2 ARG 46 2HH2 ARG 46 23.972 -16.316 -19.800 Start of MODEL 8 1 1H MET -18 1H MET -18 -11.589 -19.937 20.876 2 2H MET -18 2H MET -18 -13.116 -20.720 20.870 3 3H MET -18 3H MET -18 -12.957 -19.153 21.549 4 HA MET -18 HA MET -18 -12.322 -18.315 19.375 5 1HB MET -18 1HB MET -18 -12.343 -21.165 18.866 6 2HB MET -18 2HB MET -18 -13.393 -20.326 17.731 7 1HG MET -18 1HG MET -18 -10.602 -19.381 18.245 8 2HG MET -18 2HG MET -18 -10.934 -20.682 17.104 9 1HE MET -18 1HE MET -18 -13.903 -19.093 15.459 10 2HE MET -18 2HE MET -18 -12.912 -20.541 15.627 11 3HE MET -18 3HE MET -18 -12.639 -19.437 14.279 12 H ASN -17 H ASN -17 -14.942 -20.628 20.056 13 HA ASN -17 HA ASN -17 -16.897 -18.805 18.907 14 1HB ASN -17 1HB ASN -17 -16.915 -21.338 18.571 15 2HB ASN -17 2HB ASN -17 -17.474 -21.449 20.238 16 1HD2 ASN -17 1HD2 ASN -17 -18.316 -20.797 16.999 17 2HD2 ASN -17 2HD2 ASN -17 -19.991 -20.464 17.259 18 H SER -16 H SER -16 -15.710 -17.655 21.092 19 HA SER -16 HA SER -16 -17.484 -18.065 23.369 20 1HB SER -16 1HB SER -16 -14.861 -16.723 22.944 21 2HB SER -16 2HB SER -16 -15.899 -16.086 24.220 22 HG SER -16 HG SER -16 -15.883 -18.080 25.207 23 H VAL -15 H VAL -15 -19.261 -16.898 23.644 24 HA VAL -15 HA VAL -15 -19.628 -14.479 22.047 25 HB VAL -15 HB VAL -15 -21.679 -15.891 23.752 26 1HG1 VAL -15 1HG1 VAL -15 -23.111 -14.305 23.132 27 2HG1 VAL -15 2HG1 VAL -15 -22.645 -14.453 21.439 28 3HG1 VAL -15 3HG1 VAL -15 -21.729 -13.400 22.516 29 1HG2 VAL -15 1HG2 VAL -15 -22.386 -16.504 21.225 30 2HG2 VAL -15 2HG2 VAL -15 -21.411 -17.555 22.251 31 3HG2 VAL -15 3HG2 VAL -15 -20.630 -16.506 21.068 32 H LYS -14 H LYS -14 -19.052 -15.500 25.273 33 HA LYS -14 HA LYS -14 -19.921 -12.983 26.433 34 1HB LYS -14 1HB LYS -14 -20.244 -15.079 27.700 35 2HB LYS -14 2HB LYS -14 -18.505 -15.344 27.698 36 1HG LYS -14 1HG LYS -14 -18.283 -13.159 28.927 37 2HG LYS -14 2HG LYS -14 -20.039 -13.178 29.107 38 1HD LYS -14 1HD LYS -14 -19.421 -14.193 31.066 39 2HD LYS -14 2HD LYS -14 -19.578 -15.607 30.021 40 1HE LYS -14 1HE LYS -14 -17.324 -15.956 29.923 41 2HE LYS -14 2HE LYS -14 -16.941 -14.247 30.125 42 1HZ LYS -14 1HZ LYS -14 -18.024 -14.795 32.491 43 2HZ LYS -14 2HZ LYS -14 -16.368 -14.928 32.175 44 3HZ LYS -14 3HZ LYS -14 -17.350 -16.304 32.130 45 H GLU -13 H GLU -13 -17.021 -14.612 25.403 46 HA GLU -13 HA GLU -13 -15.261 -12.656 26.542 47 1HB GLU -13 1HB GLU -13 -14.525 -14.684 24.449 48 2HB GLU -13 2HB GLU -13 -13.475 -13.923 25.635 49 1HG GLU -13 1HG GLU -13 -14.665 -15.131 27.421 50 2HG GLU -13 2HG GLU -13 -15.638 -15.940 26.193 51 H LEU -12 H LEU -12 -16.737 -13.370 23.471 52 HA LEU -12 HA LEU -12 -15.241 -11.365 22.047 53 1HB LEU -12 1HB LEU -12 -16.182 -13.489 21.042 54 2HB LEU -12 2HB LEU -12 -17.762 -12.733 21.138 55 HG LEU -12 HG LEU -12 -15.619 -11.225 19.738 56 1HD1 LEU -12 1HD1 LEU -12 -15.752 -12.455 17.739 57 2HD1 LEU -12 2HD1 LEU -12 -17.086 -13.440 18.338 58 3HD1 LEU -12 3HD1 LEU -12 -15.467 -13.650 19.004 59 1HD2 LEU -12 1HD2 LEU -12 -17.366 -10.244 18.624 60 2HD2 LEU -12 2HD2 LEU -12 -18.146 -10.641 20.155 61 3HD2 LEU -12 3HD2 LEU -12 -18.391 -11.673 18.745 62 H ASN -11 H ASN -11 -18.185 -11.491 23.852 63 HA ASN -11 HA ASN -11 -19.189 -9.036 22.721 64 1HB ASN -11 1HB ASN -11 -20.737 -10.860 23.385 65 2HB ASN -11 2HB ASN -11 -20.256 -10.615 25.061 66 1HD2 ASN -11 1HD2 ASN -11 -20.664 -8.486 25.984 67 2HD2 ASN -11 2HD2 ASN -11 -22.051 -7.601 25.456 68 H VAL -10 H VAL -10 -17.475 -10.114 25.529 69 HA VAL -10 HA VAL -10 -17.822 -7.714 27.048 70 HB VAL -10 HB VAL -10 -17.313 -9.860 28.138 71 1HG1 VAL -10 1HG1 VAL -10 -15.100 -10.835 28.032 72 2HG1 VAL -10 2HG1 VAL -10 -14.570 -9.573 26.920 73 3HG1 VAL -10 3HG1 VAL -10 -15.792 -10.738 26.413 74 1HG2 VAL -10 1HG2 VAL -10 -16.650 -7.545 29.058 75 2HG2 VAL -10 2HG2 VAL -10 -14.998 -8.038 28.686 76 3HG2 VAL -10 3HG2 VAL -10 -15.965 -8.980 29.820 77 H LYS -9 H LYS -9 -15.298 -8.999 24.931 78 HA LYS -9 HA LYS -9 -13.341 -7.061 25.365 79 1HB LYS -9 1HB LYS -9 -13.860 -9.160 23.448 80 2HB LYS -9 2HB LYS -9 -13.184 -7.750 22.646 81 1HG LYS -9 1HG LYS -9 -11.191 -8.511 23.251 82 2HG LYS -9 2HG LYS -9 -11.609 -8.036 24.898 83 1HD LYS -9 1HD LYS -9 -12.619 -10.294 25.217 84 2HD LYS -9 2HD LYS -9 -11.999 -10.744 23.627 85 1HE LYS -9 1HE LYS -9 -9.868 -10.911 24.360 86 2HE LYS -9 2HE LYS -9 -10.038 -9.561 25.482 87 1HZ LYS -9 1HZ LYS -9 -9.799 -11.401 26.850 88 2HZ LYS -9 2HZ LYS -9 -10.769 -12.392 25.881 89 3HZ LYS -9 3HZ LYS -9 -11.476 -11.177 26.820 90 H GLU -8 H GLU -8 -16.110 -7.073 23.176 91 HA GLU -8 HA GLU -8 -15.512 -4.774 21.716 92 1HB GLU -8 1HB GLU -8 -18.074 -6.154 22.421 93 2HB GLU -8 2HB GLU -8 -18.101 -4.630 21.544 94 1HG GLU -8 1HG GLU -8 -16.524 -7.009 20.613 95 2HG GLU -8 2HG GLU -8 -18.206 -6.735 20.159 96 H MET -7 H MET -7 -17.987 -4.932 24.212 97 HA MET -7 HA MET -7 -18.270 -2.216 24.638 98 1HB MET -7 1HB MET -7 -19.284 -2.793 26.788 99 2HB MET -7 2HB MET -7 -19.828 -3.886 25.521 100 1HG MET -7 1HG MET -7 -18.309 -5.598 26.300 101 2HG MET -7 2HG MET -7 -17.662 -4.499 27.518 102 1HE MET -7 1HE MET -7 -18.264 -4.108 29.460 103 2HE MET -7 2HE MET -7 -19.034 -5.412 30.364 104 3HE MET -7 3HE MET -7 -19.917 -3.919 30.045 105 H LYS -6 H LYS -6 -15.978 -4.468 26.086 106 HA LYS -6 HA LYS -6 -14.948 -2.859 28.110 107 1HB LYS -6 1HB LYS -6 -14.405 -5.253 27.819 108 2HB LYS -6 2HB LYS -6 -13.438 -4.851 26.406 109 1HG LYS -6 1HG LYS -6 -11.812 -4.995 27.998 110 2HG LYS -6 2HG LYS -6 -12.197 -3.276 28.096 111 1HD LYS -6 1HD LYS -6 -12.654 -3.538 30.256 112 2HD LYS -6 2HD LYS -6 -13.989 -4.604 29.820 113 1HE LYS -6 1HE LYS -6 -12.699 -5.901 31.261 114 2HE LYS -6 2HE LYS -6 -12.200 -6.441 29.658 115 1HZ LYS -6 1HZ LYS -6 -10.487 -5.753 31.556 116 2HZ LYS -6 2HZ LYS -6 -10.676 -4.248 30.809 117 3HZ LYS -6 3HZ LYS -6 -10.148 -5.578 29.907 118 H GLN -5 H GLN -5 -13.567 -3.296 24.834 119 HA GLN -5 HA GLN -5 -11.928 -0.951 25.194 120 1HB GLN -5 1HB GLN -5 -12.298 -2.913 22.959 121 2HB GLN -5 2HB GLN -5 -11.275 -1.495 22.797 122 1HG GLN -5 1HG GLN -5 -9.631 -2.794 23.545 123 2HG GLN -5 2HG GLN -5 -10.376 -2.607 25.131 124 1HE2 GLN -5 1HE2 GLN -5 -11.273 -4.332 26.105 125 2HE2 GLN -5 2HE2 GLN -5 -11.336 -5.918 25.422 126 H LEU -4 H LEU -4 -14.989 -0.996 24.874 127 HA LEU -4 HA LEU -4 -15.345 0.683 22.537 128 1HB LEU -4 1HB LEU -4 -17.028 -1.031 23.020 129 2HB LEU -4 2HB LEU -4 -17.341 -0.289 24.576 130 HG LEU -4 HG LEU -4 -17.762 1.800 22.838 131 1HD1 LEU -4 1HD1 LEU -4 -17.619 0.452 20.871 132 2HD1 LEU -4 2HD1 LEU -4 -19.316 0.853 21.136 133 3HD1 LEU -4 3HD1 LEU -4 -18.714 -0.751 21.553 134 1HD2 LEU -4 1HD2 LEU -4 -19.740 -0.190 23.942 135 2HD2 LEU -4 2HD2 LEU -4 -20.153 1.397 23.294 136 3HD2 LEU -4 3HD2 LEU -4 -19.152 1.268 24.741 137 H HIS -3 H HIS -3 -16.584 0.955 25.809 138 HA HIS -3 HA HIS -3 -16.994 2.773 27.131 139 1HB HIS -3 1HB HIS -3 -14.550 2.284 27.440 140 2HB HIS -3 2HB HIS -3 -14.205 3.547 26.261 141 HD1 HIS -3 HD1 HIS -3 -13.119 5.248 27.750 142 HD2 HIS -3 HD2 HIS -3 -16.775 3.937 29.228 143 HE1 HIS -3 HE1 HIS -3 -13.628 6.742 29.707 144 HE2 HIS -3 HE2 HIS -3 -15.882 5.980 30.538 145 H GLY -2 H GLY -2 -17.814 3.063 24.369 146 1HA GLY -2 1HA GLY -2 -19.098 5.066 23.755 147 2HA GLY -2 2HA GLY -2 -17.675 6.009 24.169 148 H GLY -1 H GLY -1 -16.390 6.605 22.550 149 1HA GLY -1 1HA GLY -1 -16.739 5.235 19.962 150 2HA GLY -1 2HA GLY -1 -16.255 6.914 20.152 151 H VAL 1 H VAL 1 -14.847 5.149 18.539 152 HA VAL 1 HA VAL 1 -12.556 4.160 19.991 153 HB VAL 1 HB VAL 1 -11.655 3.690 17.677 154 1HG1 VAL 1 1HG1 VAL 1 -12.674 1.680 17.707 155 2HG1 VAL 1 2HG1 VAL 1 -14.292 2.382 17.743 156 3HG1 VAL 1 3HG1 VAL 1 -13.344 2.273 19.227 157 1HG2 VAL 1 1HG2 VAL 1 -13.514 5.500 16.848 158 2HG2 VAL 1 2HG2 VAL 1 -14.319 3.974 16.485 159 3HG2 VAL 1 3HG2 VAL 1 -12.727 4.316 15.806 160 H ASN 2 H ASN 2 -10.887 5.369 20.572 161 HA ASN 2 HA ASN 2 -9.726 7.298 18.798 162 1HB ASN 2 1HB ASN 2 -11.732 8.239 20.520 163 2HB ASN 2 2HB ASN 2 -10.214 8.728 21.268 164 1HD2 ASN 2 1HD2 ASN 2 -9.146 10.419 20.459 165 2HD2 ASN 2 2HD2 ASN 2 -9.581 11.270 19.021 166 H TYR 3 H TYR 3 -8.789 4.945 19.995 167 HA TYR 3 HA TYR 3 -6.309 5.771 20.993 168 1HB TYR 3 1HB TYR 3 -8.135 6.064 22.969 169 2HB TYR 3 2HB TYR 3 -7.658 4.390 23.238 170 HD1 TYR 3 HD1 TYR 3 -6.449 7.872 23.125 171 HD2 TYR 3 HD2 TYR 3 -5.513 3.848 24.134 172 HE1 TYR 3 HE1 TYR 3 -4.444 8.646 24.321 173 HE2 TYR 3 HE2 TYR 3 -3.505 4.608 25.333 174 HH TYR 3 HH TYR 3 -2.630 6.599 26.382 175 H GLY 4 H GLY 4 -7.280 3.966 19.072 176 1HA GLY 4 1HA GLY 4 -6.279 1.415 20.177 177 2HA GLY 4 2HA GLY 4 -7.608 1.479 19.029 178 H ASN 5 H ASN 5 -4.358 2.946 19.218 179 HA ASN 5 HA ASN 5 -3.984 2.578 16.387 180 1HB ASN 5 1HB ASN 5 -1.710 3.556 16.862 181 2HB ASN 5 2HB ASN 5 -3.069 4.579 17.316 182 1HD2 ASN 5 1HD2 ASN 5 -3.477 4.981 19.464 183 2HD2 ASN 5 2HD2 ASN 5 -2.358 4.586 20.718 184 H GLY 6 H GLY 6 -2.916 1.081 19.335 185 1HA GLY 6 1HA GLY 6 -1.881 -0.931 19.734 186 2HA GLY 6 2HA GLY 6 -2.272 -1.366 18.076 187 H VAL 7 H VAL 7 -0.239 1.286 19.253 188 HA VAL 7 HA VAL 7 1.990 0.133 17.713 189 HB VAL 7 HB VAL 7 1.802 3.000 18.618 190 1HG1 VAL 7 1HG1 VAL 7 3.533 1.440 16.758 191 2HG1 VAL 7 2HG1 VAL 7 3.976 2.643 17.970 192 3HG1 VAL 7 3HG1 VAL 7 3.251 3.153 16.446 193 1HG2 VAL 7 1HG2 VAL 7 0.963 1.971 15.913 194 2HG2 VAL 7 2HG2 VAL 7 0.839 3.620 16.528 195 3HG2 VAL 7 3HG2 VAL 7 -0.172 2.345 17.210 196 H SER 8 H SER 8 4.177 0.549 18.578 197 HA SER 8 HA SER 8 4.178 0.395 21.519 198 1HB SER 8 1HB SER 8 5.052 -1.525 19.809 199 2HB SER 8 2HB SER 8 6.542 -0.615 20.063 200 HG SER 8 HG SER 8 6.639 -1.341 22.037 201 H CYS 9 H CYS 9 6.057 1.265 22.620 202 HA CYS 9 HA CYS 9 6.929 3.754 21.381 203 1HB CYS 9 1HB CYS 9 6.582 2.764 24.130 204 2HB CYS 9 2HB CYS 9 8.010 3.767 23.896 205 H SER 10 H SER 10 8.954 4.166 20.724 206 HA SER 10 HA SER 10 11.226 2.724 21.701 207 1HB SER 10 1HB SER 10 11.805 2.024 19.235 208 2HB SER 10 2HB SER 10 10.801 0.984 20.244 209 HG SER 10 HG SER 10 8.990 1.740 19.198 210 H LYS 11 H LYS 11 12.538 4.376 21.970 211 HA LYS 11 HA LYS 11 13.813 6.214 21.601 212 1HB LYS 11 1HB LYS 11 14.295 4.648 19.570 213 2HB LYS 11 2HB LYS 11 13.446 5.888 18.659 214 1HG LYS 11 1HG LYS 11 15.082 7.468 19.019 215 2HG LYS 11 2HG LYS 11 15.668 6.679 20.485 216 1HD LYS 11 1HD LYS 11 17.338 5.994 19.130 217 2HD LYS 11 2HD LYS 11 16.174 4.753 18.663 218 1HE LYS 11 1HE LYS 11 15.854 5.640 16.614 219 2HE LYS 11 2HE LYS 11 15.959 7.298 17.203 220 1HZ LYS 11 1HZ LYS 11 17.901 7.241 16.094 221 2HZ LYS 11 2HZ LYS 11 18.046 5.558 16.178 222 3HZ LYS 11 3HZ LYS 11 18.478 6.510 17.507 223 H THR 12 H THR 12 10.620 6.207 20.938 224 HA THR 12 HA THR 12 10.545 9.059 20.692 225 HB THR 12 HB THR 12 10.584 8.266 18.360 226 HG1 THR 12 HG1 THR 12 9.172 9.754 17.817 227 1HG2 THR 12 1HG2 THR 12 7.931 7.390 18.123 228 2HG2 THR 12 2HG2 THR 12 8.714 6.422 19.370 229 3HG2 THR 12 3HG2 THR 12 9.417 6.515 17.758 230 H LYS 13 H LYS 13 7.904 9.498 20.272 231 HA LYS 13 HA LYS 13 6.784 8.765 22.783 232 1HB LYS 13 1HB LYS 13 5.808 10.344 20.425 233 2HB LYS 13 2HB LYS 13 4.712 9.928 21.735 234 1HG LYS 13 1HG LYS 13 5.747 11.310 23.231 235 2HG LYS 13 2HG LYS 13 7.309 11.205 22.415 236 1HD LYS 13 1HD LYS 13 6.824 12.893 20.986 237 2HD LYS 13 2HD LYS 13 5.118 12.456 20.879 238 1HE LYS 13 1HE LYS 13 5.064 14.485 22.002 239 2HE LYS 13 2HE LYS 13 4.985 13.307 23.312 240 1HZ LYS 13 1HZ LYS 13 6.599 15.240 23.556 241 2HZ LYS 13 2HZ LYS 13 7.562 14.443 22.417 242 3HZ LYS 13 3HZ LYS 13 7.195 13.691 23.888 243 H CYS 14 H CYS 14 4.225 8.197 22.546 244 HA CYS 14 HA CYS 14 4.184 5.646 21.078 245 1HB CYS 14 1HB CYS 14 3.191 6.488 23.731 246 2HB CYS 14 2HB CYS 14 2.111 5.436 22.823 247 H SER 15 H SER 15 3.590 8.079 19.745 248 HA SER 15 HA SER 15 0.876 7.475 18.887 249 1HB SER 15 1HB SER 15 1.136 9.463 20.704 250 2HB SER 15 2HB SER 15 1.375 10.375 19.213 251 HG SER 15 HG SER 15 -0.820 8.651 19.735 252 H VAL 16 H VAL 16 0.545 7.795 16.767 253 HA VAL 16 HA VAL 16 1.356 7.722 14.590 254 HB VAL 16 HB VAL 16 0.020 9.757 14.831 255 1HG1 VAL 16 1HG1 VAL 16 2.163 11.683 14.823 256 2HG1 VAL 16 2HG1 VAL 16 2.198 10.710 16.291 257 3HG1 VAL 16 3HG1 VAL 16 0.737 11.593 15.855 258 1HG2 VAL 16 1HG2 VAL 16 1.676 9.086 12.763 259 2HG2 VAL 16 2HG2 VAL 16 2.101 10.775 13.045 260 3HG2 VAL 16 3HG2 VAL 16 0.429 10.334 12.706 261 H ASN 17 H ASN 17 3.271 6.750 14.247 262 HA ASN 17 HA ASN 17 5.754 8.119 14.883 263 1HB ASN 17 1HB ASN 17 5.152 5.375 13.772 264 2HB ASN 17 2HB ASN 17 6.788 5.994 13.975 265 1HD2 ASN 17 1HD2 ASN 17 7.319 6.767 16.195 266 2HD2 ASN 17 2HD2 ASN 17 6.706 5.848 17.524 267 H TRP 18 H TRP 18 4.608 9.700 13.162 268 HA TRP 18 HA TRP 18 4.739 9.224 10.442 269 1HB TRP 18 1HB TRP 18 4.224 11.422 12.073 270 2HB TRP 18 2HB TRP 18 5.592 11.928 11.087 271 HD1 TRP 18 HD1 TRP 18 4.870 10.637 8.330 272 HE1 TRP 18 HE1 TRP 18 2.841 11.472 6.985 273 HE3 TRP 18 HE3 TRP 18 2.217 12.806 12.124 274 HZ2 TRP 18 HZ2 TRP 18 0.435 12.866 7.468 275 HZ3 TRP 18 HZ3 TRP 18 0.061 13.869 11.598 276 HH2 TRP 18 HH2 TRP 18 -0.810 13.898 9.317 277 H GLY 19 H GLY 19 7.337 9.665 12.677 278 1HA GLY 19 1HA GLY 19 9.249 10.088 10.482 279 2HA GLY 19 2HA GLY 19 9.586 10.322 12.192 280 H GLN 20 H GLN 20 8.809 8.006 13.340 281 HA GLN 20 HA GLN 20 10.938 6.280 12.872 282 1HB GLN 20 1HB GLN 20 8.878 6.431 14.717 283 2HB GLN 20 2HB GLN 20 8.557 4.916 13.888 284 1HG GLN 20 1HG GLN 20 10.940 4.279 14.337 285 2HG GLN 20 2HG GLN 20 11.051 5.710 15.363 286 1HE2 GLN 20 1HE2 GLN 20 11.220 2.792 15.937 287 2HE2 GLN 20 2HE2 GLN 20 10.070 2.519 17.198 288 H ALA 21 H ALA 21 7.504 5.685 12.010 289 HA ALA 21 HA ALA 21 8.175 3.529 10.352 290 1HB ALA 21 1HB ALA 21 5.643 5.070 10.052 291 2HB ALA 21 2HB ALA 21 5.914 3.946 11.385 292 3HB ALA 21 3HB ALA 21 5.940 3.362 9.719 293 H PHE 22 H PHE 22 8.761 6.638 9.904 294 HA PHE 22 HA PHE 22 8.300 6.919 7.110 295 1HB PHE 22 1HB PHE 22 8.862 8.770 8.913 296 2HB PHE 22 2HB PHE 22 10.526 8.378 8.497 297 HD1 PHE 22 HD1 PHE 22 11.332 10.172 7.293 298 HD2 PHE 22 HD2 PHE 22 7.498 8.587 6.346 299 HE1 PHE 22 HE1 PHE 22 11.204 11.663 5.340 300 HE2 PHE 22 HE2 PHE 22 7.362 10.075 4.391 301 HZ PHE 22 HZ PHE 22 9.217 11.614 3.885 302 H GLN 23 H GLN 23 10.870 5.874 9.211 303 HA GLN 23 HA GLN 23 12.717 5.248 7.091 304 1HB GLN 23 1HB GLN 23 12.723 5.303 10.001 305 2HB GLN 23 2HB GLN 23 13.464 3.829 9.389 306 1HG GLN 23 1HG GLN 23 15.219 5.357 9.626 307 2HG GLN 23 2HG GLN 23 14.869 5.314 7.898 308 1HE2 GLN 23 1HE2 GLN 23 13.689 7.064 6.977 309 2HE2 GLN 23 2HE2 GLN 23 13.720 8.626 7.715 310 H GLU 24 H GLU 24 10.131 3.699 8.811 311 HA GLU 24 HA GLU 24 10.837 1.035 8.089 312 1HB GLU 24 1HB GLU 24 9.248 0.393 9.526 313 2HB GLU 24 2HB GLU 24 9.231 2.079 10.008 314 1HG GLU 24 1HG GLU 24 7.330 2.513 8.596 315 2HG GLU 24 2HG GLU 24 7.403 0.881 7.937 316 H ARG 25 H ARG 25 8.845 3.557 6.750 317 HA ARG 25 HA ARG 25 7.494 1.906 4.873 318 1HB ARG 25 1HB ARG 25 6.597 3.910 3.963 319 2HB ARG 25 2HB ARG 25 6.678 4.134 5.702 320 1HG ARG 25 1HG ARG 25 8.273 5.747 5.561 321 2HG ARG 25 2HG ARG 25 8.969 5.096 4.079 322 1HD ARG 25 1HD ARG 25 6.228 6.307 4.109 323 2HD ARG 25 2HD ARG 25 7.669 7.311 3.952 324 HE ARG 25 HE ARG 25 7.718 5.188 2.077 325 1HH1 ARG 25 1HH1 ARG 25 6.192 8.262 2.705 326 2HH1 ARG 25 2HH1 ARG 25 5.902 8.602 1.032 327 1HH2 ARG 25 1HH2 ARG 25 7.336 5.632 -0.123 328 2HH2 ARG 25 2HH2 ARG 25 6.550 7.109 -0.573 329 H TYR 26 H TYR 26 10.411 3.776 4.861 330 HA TYR 26 HA TYR 26 10.930 3.722 2.090 331 1HB TYR 26 1HB TYR 26 12.085 4.951 4.230 332 2HB TYR 26 2HB TYR 26 13.277 3.705 3.873 333 HD1 TYR 26 HD1 TYR 26 15.016 4.398 2.541 334 HD2 TYR 26 HD2 TYR 26 11.169 6.103 1.912 335 HE1 TYR 26 HE1 TYR 26 15.936 5.795 0.740 336 HE2 TYR 26 HE2 TYR 26 12.079 7.504 0.107 337 HH TYR 26 HH TYR 26 15.450 7.826 -0.448 338 H THR 27 H THR 27 11.555 1.455 4.676 339 HA THR 27 HA THR 27 13.328 -0.201 3.146 340 HB THR 27 HB THR 27 11.798 -0.873 5.667 341 HG1 THR 27 HG1 THR 27 13.622 -0.171 6.745 342 1HG2 THR 27 1HG2 THR 27 13.091 -2.702 5.962 343 2HG2 THR 27 2HG2 THR 27 14.460 -2.018 5.084 344 3HG2 THR 27 3HG2 THR 27 13.081 -2.672 4.199 345 H ALA 28 H ALA 28 9.888 -0.177 3.878 346 HA ALA 28 HA ALA 28 9.270 -2.735 2.875 347 1HB ALA 28 1HB ALA 28 7.262 -0.559 2.661 348 2HB ALA 28 2HB ALA 28 7.865 -0.975 4.265 349 3HB ALA 28 3HB ALA 28 7.088 -2.206 3.268 350 H GLY 29 H GLY 29 9.166 0.477 1.348 351 1HA GLY 29 1HA GLY 29 8.210 -0.421 -1.157 352 2HA GLY 29 2HA GLY 29 9.033 1.103 -0.859 353 H ILE 30 H ILE 30 11.509 0.606 -0.267 354 HA ILE 30 HA ILE 30 12.738 -0.143 -2.649 355 HB ILE 30 HB ILE 30 13.974 -0.138 0.108 356 1HG1 ILE 30 1HG1 ILE 30 13.777 2.049 -1.975 357 2HG1 ILE 30 2HG1 ILE 30 12.912 2.005 -0.443 358 1HG2 ILE 30 1HG2 ILE 30 15.325 0.206 -2.563 359 2HG2 ILE 30 2HG2 ILE 30 15.274 -1.315 -1.671 360 3HG2 ILE 30 3HG2 ILE 30 16.091 0.087 -0.980 361 1HD1 ILE 30 1HD1 ILE 30 15.485 1.760 0.385 362 2HD1 ILE 30 2HD1 ILE 30 14.592 3.278 0.284 363 3HD1 ILE 30 3HD1 ILE 30 15.661 2.793 -1.033 364 H ASN 31 H ASN 31 11.733 -2.075 0.062 365 HA ASN 31 HA ASN 31 13.330 -4.316 -0.158 366 1HB ASN 31 1HB ASN 31 10.825 -3.653 1.066 367 2HB ASN 31 2HB ASN 31 10.686 -5.239 0.315 368 1HD2 ASN 31 1HD2 ASN 31 13.193 -3.460 2.095 369 2HD2 ASN 31 2HD2 ASN 31 13.549 -4.737 3.203 370 H SER 32 H SER 32 10.069 -4.086 -1.596 371 HA SER 32 HA SER 32 10.324 -6.308 -3.264 372 1HB SER 32 1HB SER 32 8.540 -3.910 -3.228 373 2HB SER 32 2HB SER 32 8.533 -4.939 -4.660 374 HG SER 32 HG SER 32 7.572 -6.472 -3.564 375 H PHE 33 H PHE 33 11.301 -2.979 -3.702 376 HA PHE 33 HA PHE 33 11.786 -3.059 -6.474 377 1HB PHE 33 1HB PHE 33 11.801 -0.886 -5.786 378 2HB PHE 33 2HB PHE 33 12.482 -1.280 -4.214 379 HD1 PHE 33 HD1 PHE 33 14.838 -1.234 -3.837 380 HD2 PHE 33 HD2 PHE 33 13.258 -0.534 -7.726 381 HE1 PHE 33 HE1 PHE 33 17.029 -0.388 -4.570 382 HE2 PHE 33 HE2 PHE 33 15.445 0.313 -8.466 383 HZ PHE 33 HZ PHE 33 17.335 0.386 -6.888 384 H VAL 34 H VAL 34 13.876 -3.697 -3.679 385 HA VAL 34 HA VAL 34 16.292 -4.056 -4.999 386 HB VAL 34 HB VAL 34 15.333 -5.613 -2.590 387 1HG1 VAL 34 1HG1 VAL 34 17.639 -5.960 -4.063 388 2HG1 VAL 34 2HG1 VAL 34 17.386 -6.469 -2.394 389 3HG1 VAL 34 3HG1 VAL 34 18.153 -4.919 -2.736 390 1HG2 VAL 34 1HG2 VAL 34 15.420 -3.734 -1.412 391 2HG2 VAL 34 2HG2 VAL 34 15.750 -2.831 -2.891 392 3HG2 VAL 34 3HG2 VAL 34 17.085 -3.465 -1.927 393 H SER 35 H SER 35 14.413 -6.851 -3.789 394 HA SER 35 HA SER 35 15.610 -8.729 -5.268 395 1HB SER 35 1HB SER 35 12.802 -9.346 -5.076 396 2HB SER 35 2HB SER 35 14.144 -10.068 -4.199 397 HG SER 35 HG SER 35 13.985 -8.450 -2.669 398 H GLY 36 H GLY 36 12.594 -7.145 -6.233 399 1HA GLY 36 1HA GLY 36 12.049 -8.276 -8.611 400 2HA GLY 36 2HA GLY 36 12.040 -6.521 -8.437 401 H VAL 37 H VAL 37 14.689 -6.041 -7.984 402 HA VAL 37 HA VAL 37 15.837 -6.475 -10.593 403 HB VAL 37 HB VAL 37 16.779 -4.705 -8.335 404 1HG1 VAL 37 1HG1 VAL 37 18.684 -4.946 -9.587 405 2HG1 VAL 37 2HG1 VAL 37 17.919 -3.609 -10.447 406 3HG1 VAL 37 3HG1 VAL 37 17.798 -5.250 -11.081 407 1HG2 VAL 37 1HG2 VAL 37 14.530 -4.178 -9.398 408 2HG2 VAL 37 2HG2 VAL 37 15.430 -3.827 -10.874 409 3HG2 VAL 37 3HG2 VAL 37 15.736 -2.891 -9.411 410 H ALA 38 H ALA 38 17.267 -6.316 -7.349 411 HA ALA 38 HA ALA 38 19.360 -8.106 -8.080 412 1HB ALA 38 1HB ALA 38 20.522 -7.213 -6.382 413 2HB ALA 38 2HB ALA 38 19.148 -7.269 -5.270 414 3HB ALA 38 3HB ALA 38 19.274 -5.968 -6.460 415 H SER 39 H SER 39 17.539 -8.041 -5.109 416 HA SER 39 HA SER 39 18.030 -10.655 -4.388 417 1HB SER 39 1HB SER 39 17.189 -8.472 -3.148 418 2HB SER 39 2HB SER 39 15.657 -9.344 -3.257 419 HG SER 39 HG SER 39 16.576 -11.058 -2.153 420 H GLY 40 H GLY 40 16.155 -9.905 -6.938 421 1HA GLY 40 1HA GLY 40 14.158 -11.989 -6.378 422 2HA GLY 40 2HA GLY 40 14.029 -10.765 -7.632 423 H ALA 41 H ALA 41 16.864 -11.216 -8.419 424 HA ALA 41 HA ALA 41 17.144 -13.899 -9.271 425 1HB ALA 41 1HB ALA 41 15.861 -11.968 -11.130 426 2HB ALA 41 2HB ALA 41 15.531 -13.683 -10.884 427 3HB ALA 41 3HB ALA 41 16.964 -13.180 -11.782 428 H GLY 42 H GLY 42 17.855 -11.035 -11.165 429 1HA GLY 42 1HA GLY 42 19.837 -9.893 -11.518 430 2HA GLY 42 2HA GLY 42 20.542 -10.791 -10.182 431 H SER 43 H SER 43 19.669 -10.998 -13.600 432 HA SER 43 HA SER 43 22.078 -12.507 -14.128 433 1HB SER 43 1HB SER 43 19.913 -14.030 -13.571 434 2HB SER 43 2HB SER 43 19.686 -13.799 -15.305 435 HG SER 43 HG SER 43 20.971 -15.556 -15.140 436 H ILE 44 H ILE 44 20.985 -9.907 -14.835 437 HA ILE 44 HA ILE 44 20.840 -10.233 -17.763 438 HB ILE 44 HB ILE 44 19.654 -7.931 -16.217 439 1HG1 ILE 44 1HG1 ILE 44 18.482 -10.004 -15.623 440 2HG1 ILE 44 2HG1 ILE 44 17.462 -8.969 -16.618 441 1HG2 ILE 44 1HG2 ILE 44 19.789 -7.065 -18.292 442 2HG2 ILE 44 2HG2 ILE 44 18.337 -8.028 -18.563 443 3HG2 ILE 44 3HG2 ILE 44 19.911 -8.647 -19.061 444 1HD1 ILE 44 1HD1 ILE 44 18.950 -11.431 -17.489 445 2HD1 ILE 44 2HD1 ILE 44 18.094 -10.345 -18.584 446 3HD1 ILE 44 3HD1 ILE 44 17.205 -11.227 -17.341 447 H GLY 45 H GLY 45 23.279 -10.072 -16.391 448 1HA GLY 45 1HA GLY 45 24.227 -7.434 -17.318 449 2HA GLY 45 2HA GLY 45 24.775 -8.109 -15.790 450 H ARG 46 H ARG 46 26.444 -9.524 -15.774 451 HA ARG 46 HA ARG 46 27.578 -10.245 -18.397 452 1HB ARG 46 1HB ARG 46 28.914 -8.659 -16.973 453 2HB ARG 46 2HB ARG 46 29.079 -9.952 -15.792 454 1HG ARG 46 1HG ARG 46 29.942 -11.229 -17.990 455 2HG ARG 46 2HG ARG 46 30.410 -9.575 -18.392 456 1HD ARG 46 1HD ARG 46 31.808 -9.393 -16.530 457 2HD ARG 46 2HD ARG 46 31.051 -10.761 -15.714 458 HE ARG 46 HE ARG 46 32.357 -11.462 -18.176 459 1HH1 ARG 46 1HH1 ARG 46 32.786 -10.974 -14.748 460 2HH1 ARG 46 2HH1 ARG 46 34.182 -11.995 -14.651 461 1HH2 ARG 46 1HH2 ARG 46 34.190 -12.805 -18.051 462 2HH2 ARG 46 2HH2 ARG 46 34.979 -13.034 -16.527 Start of MODEL 9 1 1H MET -18 1H MET -18 -15.009 -34.573 60.315 2 2H MET -18 2H MET -18 -15.461 -32.918 60.254 3 3H MET -18 3H MET -18 -13.805 -33.355 60.360 4 HA MET -18 HA MET -18 -14.141 -34.554 58.214 5 1HB MET -18 1HB MET -18 -16.776 -33.749 58.757 6 2HB MET -18 2HB MET -18 -16.253 -32.741 57.416 7 1HG MET -18 1HG MET -18 -15.706 -35.651 57.261 8 2HG MET -18 2HG MET -18 -17.369 -35.105 57.051 9 1HE MET -18 1HE MET -18 -18.218 -35.043 54.849 10 2HE MET -18 2HE MET -18 -17.576 -34.047 53.542 11 3HE MET -18 3HE MET -18 -18.079 -33.298 55.058 12 H ASN -17 H ASN -17 -13.036 -33.574 56.562 13 HA ASN -17 HA ASN -17 -12.056 -30.893 57.110 14 1HB ASN -17 1HB ASN -17 -10.508 -31.392 55.180 15 2HB ASN -17 2HB ASN -17 -10.363 -32.485 56.553 16 1HD2 ASN -17 1HD2 ASN -17 -10.753 -32.254 53.245 17 2HD2 ASN -17 2HD2 ASN -17 -11.199 -33.891 52.918 18 H SER -16 H SER -16 -13.213 -29.238 56.377 19 HA SER -16 HA SER -16 -14.856 -29.512 54.000 20 1HB SER -16 1HB SER -16 -15.184 -26.924 54.712 21 2HB SER -16 2HB SER -16 -16.093 -28.250 55.438 22 HG SER -16 HG SER -16 -13.768 -26.983 56.450 23 H VAL -15 H VAL -15 -12.777 -29.851 52.750 24 HA VAL -15 HA VAL -15 -11.394 -27.355 52.121 25 HB VAL -15 HB VAL -15 -10.822 -30.133 51.085 26 1HG1 VAL -15 1HG1 VAL -15 -10.003 -28.226 49.706 27 2HG1 VAL -15 2HG1 VAL -15 -8.719 -29.250 50.348 28 3HG1 VAL -15 3HG1 VAL -15 -9.058 -27.689 51.096 29 1HG2 VAL -15 1HG2 VAL -15 -8.851 -29.929 52.707 30 2HG2 VAL -15 2HG2 VAL -15 -10.438 -30.288 53.388 31 3HG2 VAL -15 3HG2 VAL -15 -9.788 -28.652 53.481 32 H LYS -14 H LYS -14 -13.737 -29.544 50.857 33 HA LYS -14 HA LYS -14 -13.578 -28.490 48.163 34 1HB LYS -14 1HB LYS -14 -14.219 -30.895 48.758 35 2HB LYS -14 2HB LYS -14 -15.763 -30.242 49.289 36 1HG LYS -14 1HG LYS -14 -16.399 -30.674 47.187 37 2HG LYS -14 2HG LYS -14 -15.579 -29.155 46.819 38 1HD LYS -14 1HD LYS -14 -14.088 -31.756 46.812 39 2HD LYS -14 2HD LYS -14 -15.018 -31.240 45.405 40 1HE LYS -14 1HE LYS -14 -13.727 -29.178 45.291 41 2HE LYS -14 2HE LYS -14 -12.821 -29.652 46.728 42 1HZ LYS -14 1HZ LYS -14 -12.413 -31.769 45.177 43 2HZ LYS -14 2HZ LYS -14 -11.389 -30.423 45.193 44 3HZ LYS -14 3HZ LYS -14 -12.564 -30.575 43.987 45 H GLU -13 H GLU -13 -15.478 -28.124 51.067 46 HA GLU -13 HA GLU -13 -17.453 -26.452 49.848 47 1HB GLU -13 1HB GLU -13 -16.941 -27.558 52.530 48 2HB GLU -13 2HB GLU -13 -17.724 -25.984 52.514 49 1HG GLU -13 1HG GLU -13 -19.631 -27.095 52.298 50 2HG GLU -13 2HG GLU -13 -19.142 -27.394 50.631 51 H LEU -12 H LEU -12 -14.529 -26.067 51.707 52 HA LEU -12 HA LEU -12 -14.789 -23.228 51.998 53 1HB LEU -12 1HB LEU -12 -13.501 -24.676 53.565 54 2HB LEU -12 2HB LEU -12 -12.321 -24.936 52.294 55 HG LEU -12 HG LEU -12 -12.903 -22.115 52.993 56 1HD1 LEU -12 1HD1 LEU -12 -12.789 -23.433 55.169 57 2HD1 LEU -12 2HD1 LEU -12 -11.669 -22.082 54.986 58 3HD1 LEU -12 3HD1 LEU -12 -11.100 -23.737 54.763 59 1HD2 LEU -12 1HD2 LEU -12 -11.258 -22.868 51.264 60 2HD2 LEU -12 2HD2 LEU -12 -10.301 -23.571 52.567 61 3HD2 LEU -12 3HD2 LEU -12 -10.583 -21.831 52.520 62 H ASN -11 H ASN -11 -13.559 -25.363 49.586 63 HA ASN -11 HA ASN -11 -11.828 -23.511 48.303 64 1HB ASN -11 1HB ASN -11 -12.802 -26.231 47.806 65 2HB ASN -11 2HB ASN -11 -12.522 -25.299 46.339 66 1HD2 ASN -11 1HD2 ASN -11 -10.383 -23.810 46.875 67 2HD2 ASN -11 2HD2 ASN -11 -9.010 -24.794 47.237 68 H VAL -10 H VAL -10 -15.219 -24.102 48.232 69 HA VAL -10 HA VAL -10 -15.768 -22.886 45.714 70 HB VAL -10 HB VAL -10 -17.673 -23.169 48.038 71 1HG1 VAL -10 1HG1 VAL -10 -18.047 -22.823 45.072 72 2HG1 VAL -10 2HG1 VAL -10 -18.597 -21.763 46.368 73 3HG1 VAL -10 3HG1 VAL -10 -19.337 -23.349 46.153 74 1HG2 VAL -10 1HG2 VAL -10 -17.174 -25.366 47.835 75 2HG2 VAL -10 2HG2 VAL -10 -16.536 -25.181 46.201 76 3HG2 VAL -10 3HG2 VAL -10 -18.278 -25.259 46.464 77 H LYS -9 H LYS -9 -15.912 -21.755 49.074 78 HA LYS -9 HA LYS -9 -16.899 -19.185 48.546 79 1HB LYS -9 1HB LYS -9 -15.465 -20.486 50.802 80 2HB LYS -9 2HB LYS -9 -15.490 -18.728 50.772 81 1HG LYS -9 1HG LYS -9 -17.837 -18.655 50.911 82 2HG LYS -9 2HG LYS -9 -17.990 -20.372 50.531 83 1HD LYS -9 1HD LYS -9 -17.140 -21.012 52.645 84 2HD LYS -9 2HD LYS -9 -16.575 -19.377 52.994 85 1HE LYS -9 1HE LYS -9 -19.218 -18.935 52.594 86 2HE LYS -9 2HE LYS -9 -19.255 -20.562 53.273 87 1HZ LYS -9 1HZ LYS -9 -18.305 -18.061 54.502 88 2HZ LYS -9 2HZ LYS -9 -17.688 -19.543 55.033 89 3HZ LYS -9 3HZ LYS -9 -19.348 -19.235 55.134 90 H GLU -8 H GLU -8 -13.700 -20.532 48.274 91 HA GLU -8 HA GLU -8 -12.184 -18.187 48.320 92 1HB GLU -8 1HB GLU -8 -11.377 -20.615 48.317 93 2HB GLU -8 2HB GLU -8 -11.551 -20.547 46.570 94 1HG GLU -8 1HG GLU -8 -10.001 -18.592 46.571 95 2HG GLU -8 2HG GLU -8 -9.730 -18.884 48.288 96 H MET -7 H MET -7 -13.727 -19.851 45.643 97 HA MET -7 HA MET -7 -12.890 -17.938 43.699 98 1HB MET -7 1HB MET -7 -14.283 -19.172 42.140 99 2HB MET -7 2HB MET -7 -13.323 -20.285 43.104 100 1HG MET -7 1HG MET -7 -15.123 -21.196 44.097 101 2HG MET -7 2HG MET -7 -16.002 -19.670 44.152 102 1HE MET -7 1HE MET -7 -18.327 -19.678 42.851 103 2HE MET -7 2HE MET -7 -18.119 -19.558 41.104 104 3HE MET -7 3HE MET -7 -17.125 -18.575 42.180 105 H LYS -6 H LYS -6 -15.630 -18.342 45.789 106 HA LYS -6 HA LYS -6 -17.569 -16.830 44.513 107 1HB LYS -6 1HB LYS -6 -16.950 -17.330 47.409 108 2HB LYS -6 2HB LYS -6 -18.266 -16.256 46.951 109 1HG LYS -6 1HG LYS -6 -18.620 -18.559 45.410 110 2HG LYS -6 2HG LYS -6 -18.186 -19.128 47.023 111 1HD LYS -6 1HD LYS -6 -20.424 -18.907 47.343 112 2HD LYS -6 2HD LYS -6 -19.950 -17.248 47.711 113 1HE LYS -6 1HE LYS -6 -20.781 -16.428 45.741 114 2HE LYS -6 2HE LYS -6 -20.543 -17.950 44.883 115 1HZ LYS -6 1HZ LYS -6 -22.492 -17.992 47.038 116 2HZ LYS -6 2HZ LYS -6 -22.549 -18.718 45.511 117 3HZ LYS -6 3HZ LYS -6 -22.918 -17.077 45.680 118 H GLN -5 H GLN -5 -15.155 -15.660 46.889 119 HA GLN -5 HA GLN -5 -15.865 -12.927 46.304 120 1HB GLN -5 1HB GLN -5 -13.807 -14.193 48.082 121 2HB GLN -5 2HB GLN -5 -13.969 -12.452 47.905 122 1HG GLN -5 1HG GLN -5 -16.155 -14.286 48.864 123 2HG GLN -5 2HG GLN -5 -15.090 -13.354 49.916 124 1HE2 GLN -5 1HE2 GLN -5 -17.749 -13.245 47.699 125 2HE2 GLN -5 2HE2 GLN -5 -18.223 -11.615 48.021 126 H LEU -4 H LEU -4 -14.447 -14.883 44.393 127 HA LEU -4 HA LEU -4 -12.007 -13.430 43.801 128 1HB LEU -4 1HB LEU -4 -12.642 -16.063 43.571 129 2HB LEU -4 2HB LEU -4 -12.912 -15.511 41.930 130 HG LEU -4 HG LEU -4 -10.684 -16.336 42.042 131 1HD1 LEU -4 1HD1 LEU -4 -9.743 -14.640 40.924 132 2HD1 LEU -4 2HD1 LEU -4 -9.917 -13.522 42.276 133 3HD1 LEU -4 3HD1 LEU -4 -11.278 -13.816 41.194 134 1HD2 LEU -4 1HD2 LEU -4 -10.185 -14.467 44.352 135 2HD2 LEU -4 2HD2 LEU -4 -9.054 -15.627 43.656 136 3HD2 LEU -4 3HD2 LEU -4 -10.486 -16.198 44.513 137 H HIS -3 H HIS -3 -14.677 -14.609 41.851 138 HA HIS -3 HA HIS -3 -15.651 -13.811 39.946 139 1HB HIS -3 1HB HIS -3 -16.719 -11.663 40.215 140 2HB HIS -3 2HB HIS -3 -16.741 -12.505 41.762 141 HD1 HIS -3 HD1 HIS -3 -14.844 -9.739 39.994 142 HD2 HIS -3 HD2 HIS -3 -15.637 -11.114 43.835 143 HE1 HIS -3 HE1 HIS -3 -13.905 -7.992 41.540 144 HE2 HIS -3 HE2 HIS -3 -14.422 -8.830 43.859 145 H GLY -2 H GLY -2 -12.778 -13.816 39.896 146 1HA GLY -2 1HA GLY -2 -12.124 -11.400 38.362 147 2HA GLY -2 2HA GLY -2 -10.968 -12.571 38.980 148 H GLY -1 H GLY -1 -13.154 -11.773 36.396 149 1HA GLY -1 1HA GLY -1 -12.678 -14.243 34.960 150 2HA GLY -1 2HA GLY -1 -13.608 -12.865 34.392 151 H VAL 1 H VAL 1 -10.549 -14.435 34.407 152 HA VAL 1 HA VAL 1 -9.639 -12.727 32.253 153 HB VAL 1 HB VAL 1 -7.395 -12.378 33.344 154 1HG1 VAL 1 1HG1 VAL 1 -9.024 -10.572 33.115 155 2HG1 VAL 1 2HG1 VAL 1 -8.109 -10.418 34.614 156 3HG1 VAL 1 3HG1 VAL 1 -9.760 -11.036 34.648 157 1HG2 VAL 1 1HG2 VAL 1 -8.908 -13.518 35.650 158 2HG2 VAL 1 2HG2 VAL 1 -7.665 -12.302 35.943 159 3HG2 VAL 1 3HG2 VAL 1 -7.246 -13.814 35.138 160 H ASN 2 H ASN 2 -9.614 -14.508 30.922 161 HA ASN 2 HA ASN 2 -7.502 -16.467 31.487 162 1HB ASN 2 1HB ASN 2 -9.765 -17.438 31.979 163 2HB ASN 2 2HB ASN 2 -10.179 -17.198 30.284 164 1HD2 ASN 2 1HD2 ASN 2 -8.772 -18.261 28.697 165 2HD2 ASN 2 2HD2 ASN 2 -8.106 -19.804 29.094 166 H TYR 3 H TYR 3 -6.356 -14.942 30.050 167 HA TYR 3 HA TYR 3 -5.423 -14.411 28.045 168 1HB TYR 3 1HB TYR 3 -5.875 -17.109 27.961 169 2HB TYR 3 2HB TYR 3 -6.721 -16.568 26.517 170 HD1 TYR 3 HD1 TYR 3 -3.799 -17.963 27.461 171 HD2 TYR 3 HD2 TYR 3 -5.164 -14.541 25.333 172 HE1 TYR 3 HE1 TYR 3 -1.659 -17.868 26.253 173 HE2 TYR 3 HE2 TYR 3 -3.028 -14.437 24.118 174 HH TYR 3 HH TYR 3 -1.187 -16.041 23.491 175 H GLY 4 H GLY 4 -6.844 -12.534 28.041 176 1HA GLY 4 1HA GLY 4 -8.122 -12.152 25.570 177 2HA GLY 4 2HA GLY 4 -9.354 -12.474 26.779 178 H ASN 5 H ASN 5 -6.312 -10.728 27.222 179 HA ASN 5 HA ASN 5 -7.623 -8.575 28.540 180 1HB ASN 5 1HB ASN 5 -4.851 -9.325 27.883 181 2HB ASN 5 2HB ASN 5 -5.141 -7.592 27.990 182 1HD2 ASN 5 1HD2 ASN 5 -4.095 -7.187 29.859 183 2HD2 ASN 5 2HD2 ASN 5 -4.554 -7.841 31.390 184 H GLY 6 H GLY 6 -6.901 -9.244 25.257 185 1HA GLY 6 1HA GLY 6 -7.641 -8.080 23.388 186 2HA GLY 6 2HA GLY 6 -8.156 -6.772 24.442 187 H VAL 7 H VAL 7 -5.357 -8.234 22.866 188 HA VAL 7 HA VAL 7 -3.459 -6.295 23.544 189 HB VAL 7 HB VAL 7 -3.218 -8.601 22.318 190 1HG1 VAL 7 1HG1 VAL 7 -3.268 -8.698 20.064 191 2HG1 VAL 7 2HG1 VAL 7 -2.749 -7.023 19.872 192 3HG1 VAL 7 3HG1 VAL 7 -4.428 -7.385 20.272 193 1HG2 VAL 7 1HG2 VAL 7 -1.161 -6.959 21.172 194 2HG2 VAL 7 2HG2 VAL 7 -1.064 -8.120 22.496 195 3HG2 VAL 7 3HG2 VAL 7 -1.522 -6.448 22.821 196 H SER 8 H SER 8 -2.444 -5.428 21.065 197 HA SER 8 HA SER 8 -3.894 -3.017 20.728 198 1HB SER 8 1HB SER 8 -1.839 -4.041 18.777 199 2HB SER 8 2HB SER 8 -2.195 -2.372 19.222 200 HG SER 8 HG SER 8 -0.355 -2.927 20.301 201 H CYS 9 H CYS 9 -3.829 -2.538 17.990 202 HA CYS 9 HA CYS 9 -5.243 -2.620 16.208 203 1HB CYS 9 1HB CYS 9 -3.738 -4.865 16.231 204 2HB CYS 9 2HB CYS 9 -5.348 -5.578 16.238 205 H SER 10 H SER 10 -7.118 -4.805 15.585 206 HA SER 10 HA SER 10 -9.238 -5.547 16.063 207 1HB SER 10 1HB SER 10 -8.151 -5.621 18.494 208 2HB SER 10 2HB SER 10 -9.286 -4.300 18.753 209 HG SER 10 HG SER 10 -10.884 -5.823 17.795 210 H LYS 11 H LYS 11 -8.362 -2.732 15.341 211 HA LYS 11 HA LYS 11 -11.023 -1.589 15.313 212 1HB LYS 11 1HB LYS 11 -8.664 -0.233 16.602 213 2HB LYS 11 2HB LYS 11 -10.054 0.667 16.014 214 1HG LYS 11 1HG LYS 11 -10.929 0.374 18.033 215 2HG LYS 11 2HG LYS 11 -11.192 -1.306 17.562 216 1HD LYS 11 1HD LYS 11 -9.029 -1.922 18.503 217 2HD LYS 11 2HD LYS 11 -8.723 -0.239 18.933 218 1HE LYS 11 1HE LYS 11 -11.006 -1.909 19.980 219 2HE LYS 11 2HE LYS 11 -9.501 -1.599 20.844 220 1HZ LYS 11 1HZ LYS 11 -11.777 0.146 20.399 221 2HZ LYS 11 2HZ LYS 11 -10.260 0.882 20.266 222 3HZ LYS 11 3HZ LYS 11 -10.690 0.089 21.696 223 H THR 12 H THR 12 -7.667 -1.327 14.400 224 HA THR 12 HA THR 12 -8.390 -0.685 11.702 225 HB THR 12 HB THR 12 -8.238 1.519 12.741 226 HG1 THR 12 HG1 THR 12 -6.622 2.351 11.330 227 1HG2 THR 12 1HG2 THR 12 -6.062 0.350 14.059 228 2HG2 THR 12 2HG2 THR 12 -6.743 1.961 14.276 229 3HG2 THR 12 3HG2 THR 12 -5.450 1.697 13.106 230 H LYS 13 H LYS 13 -5.645 0.117 11.023 231 HA LYS 13 HA LYS 13 -4.547 -2.384 10.474 232 1HB LYS 13 1HB LYS 13 -3.329 0.370 10.583 233 2HB LYS 13 2HB LYS 13 -2.386 -1.044 10.129 234 1HG LYS 13 1HG LYS 13 -3.065 -0.120 8.102 235 2HG LYS 13 2HG LYS 13 -4.183 -1.461 8.365 236 1HD LYS 13 1HD LYS 13 -5.921 0.000 9.038 237 2HD LYS 13 2HD LYS 13 -4.813 1.368 9.177 238 1HE LYS 13 1HE LYS 13 -5.125 -0.001 6.544 239 2HE LYS 13 2HE LYS 13 -6.377 1.115 7.087 240 1HZ LYS 13 1HZ LYS 13 -4.993 2.896 6.924 241 2HZ LYS 13 2HZ LYS 13 -4.323 1.936 5.703 242 3HZ LYS 13 3HZ LYS 13 -3.590 1.999 7.225 243 H CYS 14 H CYS 14 -2.790 -3.533 11.373 244 HA CYS 14 HA CYS 14 -2.552 -3.193 14.256 245 1HB CYS 14 1HB CYS 14 -1.519 -5.396 12.457 246 2HB CYS 14 2HB CYS 14 -1.454 -5.398 14.215 247 H SER 15 H SER 15 -1.155 -1.458 12.174 248 HA SER 15 HA SER 15 1.335 -1.267 13.574 249 1HB SER 15 1HB SER 15 2.582 -1.396 11.247 250 2HB SER 15 2HB SER 15 2.277 -2.858 12.184 251 HG SER 15 HG SER 15 0.542 -3.320 10.867 252 H VAL 16 H VAL 16 0.047 0.745 13.878 253 HA VAL 16 HA VAL 16 0.206 2.574 11.587 254 HB VAL 16 HB VAL 16 -1.193 3.055 14.217 255 1HG1 VAL 16 1HG1 VAL 16 -2.490 4.599 12.502 256 2HG1 VAL 16 2HG1 VAL 16 -0.946 4.532 11.652 257 3HG1 VAL 16 3HG1 VAL 16 -1.017 5.139 13.307 258 1HG2 VAL 16 1HG2 VAL 16 -3.207 2.669 12.478 259 2HG2 VAL 16 2HG2 VAL 16 -2.549 1.394 13.503 260 3HG2 VAL 16 3HG2 VAL 16 -2.021 1.538 11.825 261 H ASN 17 H ASN 17 1.589 4.231 11.541 262 HA ASN 17 HA ASN 17 2.579 5.622 13.766 263 1HB ASN 17 1HB ASN 17 4.096 3.223 12.959 264 2HB ASN 17 2HB ASN 17 5.060 4.684 13.147 265 1HD2 ASN 17 1HD2 ASN 17 4.606 5.916 15.199 266 2HD2 ASN 17 2HD2 ASN 17 4.420 4.979 16.639 267 H TRP 18 H TRP 18 2.220 7.423 12.538 268 HA TRP 18 HA TRP 18 2.974 7.771 9.864 269 1HB TRP 18 1HB TRP 18 2.378 9.719 12.081 270 2HB TRP 18 2HB TRP 18 2.810 10.263 10.463 271 HD1 TRP 18 HD1 TRP 18 1.031 9.822 8.502 272 HE1 TRP 18 HE1 TRP 18 -1.498 9.349 8.561 273 HE3 TRP 18 HE3 TRP 18 0.558 8.550 13.431 274 HZ2 TRP 18 HZ2 TRP 18 -3.436 8.543 10.448 275 HZ3 TRP 18 HZ3 TRP 18 -1.668 7.941 14.283 276 HH2 TRP 18 HH2 TRP 18 -3.623 7.939 12.822 277 H GLY 19 H GLY 19 4.878 7.784 12.711 278 1HA GLY 19 1HA GLY 19 7.072 9.155 11.294 279 2HA GLY 19 2HA GLY 19 6.950 8.998 13.040 280 H GLN 20 H GLN 20 6.518 6.406 13.493 281 HA GLN 20 HA GLN 20 9.020 5.224 13.231 282 1HB GLN 20 1HB GLN 20 6.645 4.595 14.521 283 2HB GLN 20 2HB GLN 20 6.854 3.267 13.388 284 1HG GLN 20 1HG GLN 20 9.222 4.054 14.970 285 2HG GLN 20 2HG GLN 20 7.900 3.274 15.837 286 1HE2 GLN 20 1HE2 GLN 20 6.987 1.342 14.456 287 2HE2 GLN 20 2HE2 GLN 20 8.194 0.228 13.920 288 H ALA 21 H ALA 21 6.044 4.166 11.510 289 HA ALA 21 HA ALA 21 7.530 2.632 9.701 290 1HB ALA 21 1HB ALA 21 4.992 2.509 10.290 291 2HB ALA 21 2HB ALA 21 5.593 1.978 8.718 292 3HB ALA 21 3HB ALA 21 4.852 3.571 8.888 293 H PHE 22 H PHE 22 7.371 5.808 9.943 294 HA PHE 22 HA PHE 22 7.362 6.622 7.218 295 1HB PHE 22 1HB PHE 22 7.122 8.059 9.437 296 2HB PHE 22 2HB PHE 22 8.874 8.161 9.300 297 HD1 PHE 22 HD1 PHE 22 9.336 10.333 8.662 298 HD2 PHE 22 HD2 PHE 22 6.257 8.188 6.655 299 HE1 PHE 22 HE1 PHE 22 9.107 12.177 7.050 300 HE2 PHE 22 HE2 PHE 22 6.022 10.029 5.039 301 HZ PHE 22 HZ PHE 22 7.449 12.027 5.236 302 H GLN 23 H GLN 23 9.711 5.699 9.619 303 HA GLN 23 HA GLN 23 11.996 5.983 7.891 304 1HB GLN 23 1HB GLN 23 11.463 5.273 10.693 305 2HB GLN 23 2HB GLN 23 12.762 4.331 9.969 306 1HG GLN 23 1HG GLN 23 12.627 7.337 9.984 307 2HG GLN 23 2HG GLN 23 13.546 6.360 11.128 308 1HE2 GLN 23 1HE2 GLN 23 14.466 8.368 9.224 309 2HE2 GLN 23 2HE2 GLN 23 15.616 7.574 8.208 310 H GLU 24 H GLU 24 9.617 3.594 8.646 311 HA GLU 24 HA GLU 24 11.069 1.325 7.723 312 1HB GLU 24 1HB GLU 24 8.119 1.688 8.200 313 2HB GLU 24 2HB GLU 24 8.910 0.152 7.881 314 1HG GLU 24 1HG GLU 24 9.676 1.889 10.203 315 2HG GLU 24 2HG GLU 24 8.379 0.699 10.298 316 H ARG 25 H ARG 25 8.655 3.496 6.355 317 HA ARG 25 HA ARG 25 8.063 2.151 4.014 318 1HB ARG 25 1HB ARG 25 8.141 5.061 4.724 319 2HB ARG 25 2HB ARG 25 7.772 4.564 3.078 320 1HG ARG 25 1HG ARG 25 6.127 2.977 4.639 321 2HG ARG 25 2HG ARG 25 6.100 4.548 5.441 322 1HD ARG 25 1HD ARG 25 4.345 4.615 3.875 323 2HD ARG 25 2HD ARG 25 5.657 5.545 3.150 324 HE ARG 25 HE ARG 25 6.026 3.046 2.162 325 1HH1 ARG 25 1HH1 ARG 25 3.298 5.222 2.249 326 2HH1 ARG 25 2HH1 ARG 25 2.618 4.627 0.773 327 1HH2 ARG 25 1HH2 ARG 25 5.132 2.264 0.219 328 2HH2 ARG 25 2HH2 ARG 25 3.658 2.948 -0.380 329 H TYR 26 H TYR 26 10.894 3.967 4.850 330 HA TYR 26 HA TYR 26 11.927 4.292 2.236 331 1HB TYR 26 1HB TYR 26 12.941 4.613 4.996 332 2HB TYR 26 2HB TYR 26 14.163 4.303 3.766 333 HD1 TYR 26 HD1 TYR 26 11.239 6.519 4.452 334 HD2 TYR 26 HD2 TYR 26 15.016 6.081 2.542 335 HE1 TYR 26 HE1 TYR 26 11.182 8.892 3.808 336 HE2 TYR 26 HE2 TYR 26 14.970 8.453 1.894 337 HH TYR 26 HH TYR 26 13.103 10.216 1.494 338 H THR 27 H THR 27 12.610 1.928 4.801 339 HA THR 27 HA THR 27 14.369 0.366 3.192 340 HB THR 27 HB THR 27 12.879 -0.539 5.659 341 HG1 THR 27 HG1 THR 27 13.916 1.353 6.198 342 1HG2 THR 27 1HG2 THR 27 14.143 -2.347 5.619 343 2HG2 THR 27 2HG2 THR 27 15.606 -1.368 5.510 344 3HG2 THR 27 3HG2 THR 27 14.754 -1.849 4.041 345 H ALA 28 H ALA 28 10.933 0.325 3.867 346 HA ALA 28 HA ALA 28 10.347 -2.236 2.858 347 1HB ALA 28 1HB ALA 28 8.805 0.195 3.521 348 2HB ALA 28 2HB ALA 28 8.547 -1.482 4.003 349 3HB ALA 28 3HB ALA 28 8.047 -0.938 2.402 350 H GLY 29 H GLY 29 10.723 0.898 1.322 351 1HA GLY 29 1HA GLY 29 9.663 0.137 -1.210 352 2HA GLY 29 2HA GLY 29 10.666 1.544 -0.887 353 H ILE 30 H ILE 30 13.002 0.479 -0.020 354 HA ILE 30 HA ILE 30 14.260 -0.299 -2.403 355 HB ILE 30 HB ILE 30 15.318 -0.712 0.393 356 1HG1 ILE 30 1HG1 ILE 30 15.395 1.709 -1.419 357 2HG1 ILE 30 2HG1 ILE 30 14.637 1.593 0.165 358 1HG2 ILE 30 1HG2 ILE 30 16.393 -1.648 -1.881 359 2HG2 ILE 30 2HG2 ILE 30 17.356 -1.114 -0.503 360 3HG2 ILE 30 3HG2 ILE 30 17.091 -0.028 -1.867 361 1HD1 ILE 30 1HD1 ILE 30 17.509 1.846 -0.549 362 2HD1 ILE 30 2HD1 ILE 30 17.063 1.033 0.951 363 3HD1 ILE 30 3HD1 ILE 30 16.567 2.702 0.672 364 H ASN 31 H ASN 31 12.976 -2.163 0.283 365 HA ASN 31 HA ASN 31 14.134 -4.641 -0.238 366 1HB ASN 31 1HB ASN 31 12.651 -3.936 1.736 367 2HB ASN 31 2HB ASN 31 11.285 -4.323 0.695 368 1HD2 ASN 31 1HD2 ASN 31 11.567 -5.641 3.030 369 2HD2 ASN 31 2HD2 ASN 31 12.035 -7.280 2.746 370 H SER 32 H SER 32 10.879 -3.567 -1.245 371 HA SER 32 HA SER 32 10.405 -5.709 -2.994 372 1HB SER 32 1HB SER 32 8.726 -4.074 -4.049 373 2HB SER 32 2HB SER 32 8.514 -4.443 -2.337 374 HG SER 32 HG SER 32 9.419 -2.092 -3.560 375 H PHE 33 H PHE 33 12.021 -2.641 -3.409 376 HA PHE 33 HA PHE 33 12.172 -2.566 -6.205 377 1HB PHE 33 1HB PHE 33 12.841 -0.556 -5.346 378 2HB PHE 33 2HB PHE 33 13.597 -1.290 -3.938 379 HD1 PHE 33 HD1 PHE 33 15.883 -1.273 -3.773 380 HD2 PHE 33 HD2 PHE 33 14.091 -0.957 -7.619 381 HE1 PHE 33 HE1 PHE 33 18.103 -0.914 -4.773 382 HE2 PHE 33 HE2 PHE 33 16.307 -0.600 -8.627 383 HZ PHE 33 HZ PHE 33 18.317 -0.578 -7.205 384 H VAL 34 H VAL 34 14.588 -3.719 -3.848 385 HA VAL 34 HA VAL 34 16.454 -4.701 -5.655 386 HB VAL 34 HB VAL 34 15.805 -5.875 -2.943 387 1HG1 VAL 34 1HG1 VAL 34 18.370 -5.939 -4.530 388 2HG1 VAL 34 2HG1 VAL 34 17.250 -7.289 -4.350 389 3HG1 VAL 34 3HG1 VAL 34 18.101 -6.655 -2.941 390 1HG2 VAL 34 1HG2 VAL 34 18.071 -4.024 -3.227 391 2HG2 VAL 34 2HG2 VAL 34 16.881 -4.176 -1.935 392 3HG2 VAL 34 3HG2 VAL 34 16.477 -3.291 -3.405 393 H SER 35 H SER 35 14.322 -6.864 -3.773 394 HA SER 35 HA SER 35 14.649 -9.079 -5.247 395 1HB SER 35 1HB SER 35 13.371 -8.862 -3.073 396 2HB SER 35 2HB SER 35 12.005 -8.306 -4.035 397 HG SER 35 HG SER 35 11.657 -10.428 -3.888 398 H GLY 36 H GLY 36 11.946 -6.844 -5.745 399 1HA GLY 36 1HA GLY 36 10.652 -7.945 -7.832 400 2HA GLY 36 2HA GLY 36 11.064 -6.229 -7.841 401 H VAL 37 H VAL 37 13.775 -6.334 -8.008 402 HA VAL 37 HA VAL 37 14.191 -7.179 -10.734 403 HB VAL 37 HB VAL 37 16.001 -5.551 -8.951 404 1HG1 VAL 37 1HG1 VAL 37 17.450 -5.403 -10.656 405 2HG1 VAL 37 2HG1 VAL 37 16.169 -5.227 -11.855 406 3HG1 VAL 37 3HG1 VAL 37 16.630 -6.832 -11.286 407 1HG2 VAL 37 1HG2 VAL 37 14.203 -4.503 -11.124 408 2HG2 VAL 37 2HG2 VAL 37 15.102 -3.590 -9.914 409 3HG2 VAL 37 3HG2 VAL 37 13.716 -4.567 -9.430 410 H ALA 38 H ALA 38 16.271 -7.165 -7.856 411 HA ALA 38 HA ALA 38 17.804 -9.362 -8.823 412 1HB ALA 38 1HB ALA 38 19.423 -8.653 -7.436 413 2HB ALA 38 2HB ALA 38 18.303 -8.374 -6.095 414 3HB ALA 38 3HB ALA 38 18.445 -7.186 -7.396 415 H SER 39 H SER 39 16.656 -8.820 -5.577 416 HA SER 39 HA SER 39 16.789 -11.450 -4.768 417 1HB SER 39 1HB SER 39 16.540 -9.046 -3.591 418 2HB SER 39 2HB SER 39 14.960 -9.764 -3.259 419 HG SER 39 HG SER 39 16.157 -11.630 -2.474 420 H GLY 40 H GLY 40 14.647 -10.482 -6.989 421 1HA GLY 40 1HA GLY 40 12.133 -11.295 -6.150 422 2HA GLY 40 2HA GLY 40 12.712 -11.394 -7.805 423 H ALA 41 H ALA 41 14.810 -13.257 -7.358 424 HA ALA 41 HA ALA 41 15.156 -15.506 -7.416 425 1HB ALA 41 1HB ALA 41 14.753 -16.616 -5.466 426 2HB ALA 41 2HB ALA 41 13.115 -15.981 -5.310 427 3HB ALA 41 3HB ALA 41 14.499 -14.960 -4.915 428 H GLY 42 H GLY 42 13.163 -14.452 -9.190 429 1HA GLY 42 1HA GLY 42 11.949 -15.608 -10.844 430 2HA GLY 42 2HA GLY 42 11.730 -16.942 -9.720 431 H SER 43 H SER 43 10.633 -15.701 -7.541 432 HA SER 43 HA SER 43 8.567 -15.204 -6.716 433 1HB SER 43 1HB SER 43 9.584 -12.969 -7.617 434 2HB SER 43 2HB SER 43 8.311 -13.096 -8.832 435 HG SER 43 HG SER 43 7.790 -13.291 -6.058 436 H ILE 44 H ILE 44 8.212 -17.368 -8.119 437 HA ILE 44 HA ILE 44 6.831 -18.620 -9.438 438 HB ILE 44 HB ILE 44 4.878 -16.551 -8.439 439 1HG1 ILE 44 1HG1 ILE 44 4.378 -18.697 -6.939 440 2HG1 ILE 44 2HG1 ILE 44 6.071 -19.027 -7.295 441 1HG2 ILE 44 1HG2 ILE 44 3.626 -17.552 -10.077 442 2HG2 ILE 44 2HG2 ILE 44 3.317 -18.652 -8.733 443 3HG2 ILE 44 3HG2 ILE 44 4.504 -19.078 -9.966 444 1HD1 ILE 44 1HD1 ILE 44 6.312 -16.492 -6.546 445 2HD1 ILE 44 2HD1 ILE 44 6.338 -17.831 -5.398 446 3HD1 ILE 44 3HD1 ILE 44 4.857 -16.904 -5.639 447 H GLY 45 H GLY 45 8.080 -17.736 -11.332 448 1HA GLY 45 1HA GLY 45 7.087 -15.644 -12.933 449 2HA GLY 45 2HA GLY 45 8.131 -16.944 -13.485 450 H ARG 46 H ARG 46 6.179 -19.011 -12.696 451 HA ARG 46 HA ARG 46 4.474 -18.785 -15.059 452 1HB ARG 46 1HB ARG 46 4.052 -21.227 -14.640 453 2HB ARG 46 2HB ARG 46 5.728 -20.815 -14.981 454 1HG ARG 46 1HG ARG 46 6.406 -21.657 -13.048 455 2HG ARG 46 2HG ARG 46 5.210 -20.722 -12.149 456 1HD ARG 46 1HD ARG 46 4.480 -23.223 -13.644 457 2HD ARG 46 2HD ARG 46 5.086 -23.271 -11.990 458 HE ARG 46 HE ARG 46 3.034 -21.469 -11.923 459 1HH1 ARG 46 1HH1 ARG 46 3.356 -24.806 -12.892 460 2HH1 ARG 46 2HH1 ARG 46 1.723 -25.211 -12.482 461 1HH2 ARG 46 1HH2 ARG 46 0.886 -22.002 -11.382 462 2HH2 ARG 46 2HH2 ARG 46 0.321 -23.621 -11.624 Start of MODEL 10 1 1H MET -18 1H MET -18 -7.170 -14.206 55.241 2 2H MET -18 2H MET -18 -8.201 -15.577 55.274 3 3H MET -18 3H MET -18 -8.379 -14.396 54.041 4 HA MET -18 HA MET -18 -5.881 -15.877 54.414 5 1HB MET -18 1HB MET -18 -6.710 -17.480 52.743 6 2HB MET -18 2HB MET -18 -7.686 -17.514 54.204 7 1HG MET -18 1HG MET -18 -9.457 -17.324 52.892 8 2HG MET -18 2HG MET -18 -8.961 -15.656 52.609 9 1HE MET -18 1HE MET -18 -10.374 -18.166 49.961 10 2HE MET -18 2HE MET -18 -9.865 -18.797 51.527 11 3HE MET -18 3HE MET -18 -8.999 -19.264 50.063 12 H ASN -17 H ASN -17 -4.853 -16.100 52.205 13 HA ASN -17 HA ASN -17 -4.927 -13.499 50.909 14 1HB ASN -17 1HB ASN -17 -3.090 -15.828 50.326 15 2HB ASN -17 2HB ASN -17 -2.859 -14.147 49.854 16 1HD2 ASN -17 1HD2 ASN -17 -2.337 -16.498 52.233 17 2HD2 ASN -17 2HD2 ASN -17 -1.628 -15.476 53.431 18 H SER -16 H SER -16 -6.615 -13.349 49.532 19 HA SER -16 HA SER -16 -7.486 -15.522 47.890 20 1HB SER -16 1HB SER -16 -8.177 -12.579 47.910 21 2HB SER -16 2HB SER -16 -8.926 -13.743 46.816 22 HG SER -16 HG SER -16 -8.907 -14.065 49.628 23 H VAL -15 H VAL -15 -7.095 -15.935 45.767 24 HA VAL -15 HA VAL -15 -4.852 -14.497 44.567 25 HB VAL -15 HB VAL -15 -6.165 -17.021 43.559 26 1HG1 VAL -15 1HG1 VAL -15 -4.780 -15.716 41.959 27 2HG1 VAL -15 2HG1 VAL -15 -4.149 -17.328 42.291 28 3HG1 VAL -15 3HG1 VAL -15 -3.406 -15.918 43.046 29 1HG2 VAL -15 1HG2 VAL -15 -5.413 -17.762 45.600 30 2HG2 VAL -15 2HG2 VAL -15 -4.089 -16.597 45.658 31 3HG2 VAL -15 3HG2 VAL -15 -3.976 -18.010 44.608 32 H LYS -14 H LYS -14 -8.248 -14.921 44.263 33 HA LYS -14 HA LYS -14 -8.385 -13.954 41.543 34 1HB LYS -14 1HB LYS -14 -10.076 -15.485 42.968 35 2HB LYS -14 2HB LYS -14 -10.785 -13.911 43.300 36 1HG LYS -14 1HG LYS -14 -10.175 -14.705 40.488 37 2HG LYS -14 2HG LYS -14 -11.627 -15.310 41.288 38 1HD LYS -14 1HD LYS -14 -10.930 -12.385 41.190 39 2HD LYS -14 2HD LYS -14 -11.879 -13.178 39.929 40 1HE LYS -14 1HE LYS -14 -12.622 -13.289 42.843 41 2HE LYS -14 2HE LYS -14 -13.184 -12.012 41.764 42 1HZ LYS -14 1HZ LYS -14 -14.864 -13.622 41.767 43 2HZ LYS -14 2HZ LYS -14 -13.774 -14.908 41.627 44 3HZ LYS -14 3HZ LYS -14 -14.038 -13.878 40.312 45 H GLU -13 H GLU -13 -8.606 -12.735 44.798 46 HA GLU -13 HA GLU -13 -9.560 -10.151 44.061 47 1HB GLU -13 1HB GLU -13 -9.840 -11.291 46.335 48 2HB GLU -13 2HB GLU -13 -8.165 -10.846 46.633 49 1HG GLU -13 1HG GLU -13 -9.920 -8.666 45.726 50 2HG GLU -13 2HG GLU -13 -10.277 -9.331 47.319 51 H LEU -12 H LEU -12 -6.471 -11.594 44.883 52 HA LEU -12 HA LEU -12 -4.980 -9.176 44.670 53 1HB LEU -12 1HB LEU -12 -4.443 -11.963 45.228 54 2HB LEU -12 2HB LEU -12 -3.229 -11.295 44.156 55 HG LEU -12 HG LEU -12 -2.571 -11.145 46.520 56 1HD1 LEU -12 1HD1 LEU -12 -1.517 -9.179 46.213 57 2HD1 LEU -12 2HD1 LEU -12 -3.010 -8.312 45.852 58 3HD1 LEU -12 3HD1 LEU -12 -2.232 -9.285 44.604 59 1HD2 LEU -12 1HD2 LEU -12 -3.809 -10.174 48.150 60 2HD2 LEU -12 2HD2 LEU -12 -5.135 -10.657 47.091 61 3HD2 LEU -12 3HD2 LEU -12 -4.536 -8.999 47.053 62 H ASN -11 H ASN -11 -6.147 -11.497 42.402 63 HA ASN -11 HA ASN -11 -4.321 -10.913 40.309 64 1HB ASN -11 1HB ASN -11 -6.717 -12.555 40.664 65 2HB ASN -11 2HB ASN -11 -6.572 -11.868 39.048 66 1HD2 ASN -11 1HD2 ASN -11 -6.323 -14.059 38.338 67 2HD2 ASN -11 2HD2 ASN -11 -4.780 -14.830 38.445 68 H VAL -10 H VAL -10 -7.294 -9.533 41.414 69 HA VAL -10 HA VAL -10 -7.845 -8.011 39.056 70 HB VAL -10 HB VAL -10 -8.860 -7.499 41.854 71 1HG1 VAL -10 1HG1 VAL -10 -10.853 -6.763 40.211 72 2HG1 VAL -10 2HG1 VAL -10 -9.467 -6.400 39.183 73 3HG1 VAL -10 3HG1 VAL -10 -9.602 -5.657 40.777 74 1HG2 VAL -10 1HG2 VAL -10 -10.608 -8.895 39.957 75 2HG2 VAL -10 2HG2 VAL -10 -10.342 -9.177 41.677 76 3HG2 VAL -10 3HG2 VAL -10 -9.211 -9.829 40.493 77 H LYS -9 H LYS -9 -6.340 -7.312 42.187 78 HA LYS -9 HA LYS -9 -5.978 -4.563 41.851 79 1HB LYS -9 1HB LYS -9 -4.233 -6.520 43.358 80 2HB LYS -9 2HB LYS -9 -4.197 -4.772 43.547 81 1HG LYS -9 1HG LYS -9 -6.490 -6.606 44.209 82 2HG LYS -9 2HG LYS -9 -5.445 -5.755 45.349 83 1HD LYS -9 1HD LYS -9 -6.267 -3.614 44.524 84 2HD LYS -9 2HD LYS -9 -7.285 -4.446 43.347 85 1HE LYS -9 1HE LYS -9 -7.628 -5.294 46.145 86 2HE LYS -9 2HE LYS -9 -8.124 -3.640 45.789 87 1HZ LYS -9 1HZ LYS -9 -9.378 -4.685 43.846 88 2HZ LYS -9 2HZ LYS -9 -10.016 -4.902 45.397 89 3HZ LYS -9 3HZ LYS -9 -9.164 -6.158 44.651 90 H GLU -8 H GLU -8 -4.120 -7.291 40.675 91 HA GLU -8 HA GLU -8 -1.784 -5.958 39.921 92 1HB GLU -8 1HB GLU -8 -2.527 -8.525 39.880 93 2HB GLU -8 2HB GLU -8 -2.773 -8.148 38.182 94 1HG GLU -8 1HG GLU -8 -0.608 -8.947 38.235 95 2HG GLU -8 2HG GLU -8 -0.387 -7.198 38.264 96 H MET -7 H MET -7 -4.308 -7.035 37.713 97 HA MET -7 HA MET -7 -3.517 -5.436 35.557 98 1HB MET -7 1HB MET -7 -5.790 -5.901 34.647 99 2HB MET -7 2HB MET -7 -4.936 -7.340 35.186 100 1HG MET -7 1HG MET -7 -6.374 -7.731 36.891 101 2HG MET -7 2HG MET -7 -6.718 -6.021 37.142 102 1HE MET -7 1HE MET -7 -9.016 -5.087 36.630 103 2HE MET -7 2HE MET -7 -9.687 -5.233 35.006 104 3HE MET -7 3HE MET -7 -8.055 -4.602 35.232 105 H LYS -6 H LYS -6 -5.458 -4.731 38.345 106 HA LYS -6 HA LYS -6 -6.956 -2.566 37.496 107 1HB LYS -6 1HB LYS -6 -5.997 -3.607 40.051 108 2HB LYS -6 2HB LYS -6 -6.194 -1.860 40.062 109 1HG LYS -6 1HG LYS -6 -8.478 -2.973 38.810 110 2HG LYS -6 2HG LYS -6 -8.176 -3.880 40.293 111 1HD LYS -6 1HD LYS -6 -7.883 -0.993 40.623 112 2HD LYS -6 2HD LYS -6 -9.502 -1.476 40.114 113 1HE LYS -6 1HE LYS -6 -9.977 -2.344 42.116 114 2HE LYS -6 2HE LYS -6 -8.436 -3.196 42.200 115 1HZ LYS -6 1HZ LYS -6 -8.305 -0.321 42.574 116 2HZ LYS -6 2HZ LYS -6 -7.500 -1.559 43.399 117 3HZ LYS -6 3HZ LYS -6 -9.098 -1.176 43.800 118 H GLN -5 H GLN -5 -3.850 -2.287 39.249 119 HA GLN -5 HA GLN -5 -3.521 0.409 38.286 120 1HB GLN -5 1HB GLN -5 -2.519 -1.203 40.429 121 2HB GLN -5 2HB GLN -5 -1.182 -0.459 39.571 122 1HG GLN -5 1HG GLN -5 -1.712 1.054 41.267 123 2HG GLN -5 2HG GLN -5 -2.447 1.734 39.816 124 1HE2 GLN -5 1HE2 GLN -5 -3.400 -0.743 42.177 125 2HE2 GLN -5 2HE2 GLN -5 -4.950 -0.062 42.522 126 H LEU -4 H LEU -4 -3.278 -2.123 36.573 127 HA LEU -4 HA LEU -4 -0.558 -1.923 35.602 128 1HB LEU -4 1HB LEU -4 -2.175 -4.044 35.800 129 2HB LEU -4 2HB LEU -4 -2.566 -3.553 34.163 130 HG LEU -4 HG LEU -4 0.089 -3.539 33.936 131 1HD1 LEU -4 1HD1 LEU -4 0.283 -4.179 36.375 132 2HD1 LEU -4 2HD1 LEU -4 1.175 -5.181 35.231 133 3HD1 LEU -4 3HD1 LEU -4 -0.345 -5.761 35.913 134 1HD2 LEU -4 1HD2 LEU -4 -1.912 -5.732 33.654 135 2HD2 LEU -4 2HD2 LEU -4 -0.207 -6.073 33.356 136 3HD2 LEU -4 3HD2 LEU -4 -1.038 -4.837 32.412 137 H HIS -3 H HIS -3 -3.752 -1.800 34.123 138 HA HIS -3 HA HIS -3 -2.848 -0.535 31.757 139 1HB HIS -3 1HB HIS -3 -5.614 -0.882 32.913 140 2HB HIS -3 2HB HIS -3 -5.306 -0.168 31.333 141 HD1 HIS -3 HD1 HIS -3 -4.365 -3.406 33.114 142 HD2 HIS -3 HD2 HIS -3 -5.485 -2.003 29.367 143 HE1 HIS -3 HE1 HIS -3 -4.493 -5.443 31.646 144 HE2 HIS -3 HE2 HIS -3 -5.266 -4.580 29.408 145 H GLY -2 H GLY -2 -3.744 0.636 34.858 146 1HA GLY -2 1HA GLY -2 -3.172 2.835 35.566 147 2HA GLY -2 2HA GLY -2 -3.335 3.380 33.903 148 H GLY -1 H GLY -1 -5.609 3.229 32.999 149 1HA GLY -1 1HA GLY -1 -7.996 3.071 33.676 150 2HA GLY -1 2HA GLY -1 -7.536 3.958 35.122 151 H VAL 1 H VAL 1 -6.610 4.519 31.743 152 HA VAL 1 HA VAL 1 -8.264 6.912 31.642 153 HB VAL 1 HB VAL 1 -6.279 8.271 30.840 154 1HG1 VAL 1 1HG1 VAL 1 -7.252 8.772 32.954 155 2HG1 VAL 1 2HG1 VAL 1 -5.503 8.748 33.179 156 3HG1 VAL 1 3HG1 VAL 1 -6.480 7.378 33.710 157 1HG2 VAL 1 1HG2 VAL 1 -4.629 6.276 32.365 158 2HG2 VAL 1 2HG2 VAL 1 -4.085 7.601 31.336 159 3HG2 VAL 1 3HG2 VAL 1 -4.836 6.176 30.616 160 H ASN 2 H ASN 2 -8.295 7.897 29.485 161 HA ASN 2 HA ASN 2 -7.131 6.494 27.273 162 1HB ASN 2 1HB ASN 2 -9.756 5.711 28.209 163 2HB ASN 2 2HB ASN 2 -9.849 6.355 26.572 164 1HD2 ASN 2 1HD2 ASN 2 -9.441 5.009 24.976 165 2HD2 ASN 2 2HD2 ASN 2 -8.610 3.500 25.107 166 H TYR 3 H TYR 3 -6.357 8.578 26.811 167 HA TYR 3 HA TYR 3 -6.379 10.623 25.780 168 1HB TYR 3 1HB TYR 3 -7.906 9.058 24.252 169 2HB TYR 3 2HB TYR 3 -9.136 10.213 24.751 170 HD1 TYR 3 HD1 TYR 3 -5.539 10.516 23.758 171 HD2 TYR 3 HD2 TYR 3 -9.555 11.744 23.080 172 HE1 TYR 3 HE1 TYR 3 -4.763 12.072 22.018 173 HE2 TYR 3 HE2 TYR 3 -8.792 13.303 21.338 174 HH TYR 3 HH TYR 3 -6.582 13.337 19.737 175 H GLY 4 H GLY 4 -9.011 12.014 25.283 176 1HA GLY 4 1HA GLY 4 -10.584 13.276 26.457 177 2HA GLY 4 2HA GLY 4 -9.978 12.582 27.952 178 H ASN 5 H ASN 5 -7.230 13.500 26.570 179 HA ASN 5 HA ASN 5 -7.370 16.343 26.971 180 1HB ASN 5 1HB ASN 5 -6.996 14.928 29.247 181 2HB ASN 5 2HB ASN 5 -5.328 15.128 28.720 182 1HD2 ASN 5 1HD2 ASN 5 -7.423 16.361 30.752 183 2HD2 ASN 5 2HD2 ASN 5 -6.993 18.035 30.718 184 H GLY 6 H GLY 6 -5.308 13.527 26.627 185 1HA GLY 6 1HA GLY 6 -4.119 14.132 24.254 186 2HA GLY 6 2HA GLY 6 -3.152 15.009 25.431 187 H VAL 7 H VAL 7 -4.626 11.770 25.217 188 HA VAL 7 HA VAL 7 -3.849 9.743 25.936 189 HB VAL 7 HB VAL 7 -2.781 10.360 23.613 190 1HG1 VAL 7 1HG1 VAL 7 -0.206 9.626 24.828 191 2HG1 VAL 7 2HG1 VAL 7 -0.737 11.287 25.081 192 3HG1 VAL 7 3HG1 VAL 7 -0.558 10.659 23.444 193 1HG2 VAL 7 1HG2 VAL 7 -2.731 8.155 23.383 194 2HG2 VAL 7 2HG2 VAL 7 -3.065 8.051 25.112 195 3HG2 VAL 7 3HG2 VAL 7 -1.401 8.000 24.532 196 H SER 8 H SER 8 -1.217 8.822 26.342 197 HA SER 8 HA SER 8 -0.153 10.433 28.531 198 1HB SER 8 1HB SER 8 -1.313 7.672 28.824 199 2HB SER 8 2HB SER 8 -0.049 8.244 29.914 200 HG SER 8 HG SER 8 -2.178 8.656 30.699 201 H CYS 9 H CYS 9 2.014 10.181 28.869 202 HA CYS 9 HA CYS 9 3.511 8.907 26.782 203 1HB CYS 9 1HB CYS 9 4.030 10.790 28.955 204 2HB CYS 9 2HB CYS 9 5.338 9.632 28.739 205 H SER 10 H SER 10 4.316 6.908 26.754 206 HA SER 10 HA SER 10 5.079 5.570 29.201 207 1HB SER 10 1HB SER 10 2.906 4.397 27.453 208 2HB SER 10 2HB SER 10 3.668 3.598 28.827 209 HG SER 10 HG SER 10 2.084 5.951 28.874 210 H LYS 11 H LYS 11 7.033 4.897 28.698 211 HA LYS 11 HA LYS 11 8.784 3.925 27.643 212 1HB LYS 11 1HB LYS 11 6.936 2.108 27.609 213 2HB LYS 11 2HB LYS 11 6.879 2.442 25.885 214 1HG LYS 11 1HG LYS 11 8.535 0.990 25.631 215 2HG LYS 11 2HG LYS 11 9.586 2.141 26.459 216 1HD LYS 11 1HD LYS 11 8.901 1.115 28.621 217 2HD LYS 11 2HD LYS 11 8.004 -0.102 27.711 218 1HE LYS 11 1HE LYS 11 9.975 -1.217 28.021 219 2HE LYS 11 2HE LYS 11 10.322 -0.406 26.494 220 1HZ LYS 11 1HZ LYS 11 11.163 1.445 28.166 221 2HZ LYS 11 2HZ LYS 11 12.163 0.186 27.641 222 3HZ LYS 11 3HZ LYS 11 11.412 0.093 29.153 223 H THR 12 H THR 12 6.845 6.049 26.099 224 HA THR 12 HA THR 12 8.758 6.420 23.991 225 HB THR 12 HB THR 12 6.110 5.266 23.553 226 HG1 THR 12 HG1 THR 12 8.516 5.493 22.097 227 1HG2 THR 12 1HG2 THR 12 5.710 6.374 21.403 228 2HG2 THR 12 2HG2 THR 12 6.976 7.542 21.785 229 3HG2 THR 12 3HG2 THR 12 5.514 7.473 22.769 230 H LYS 13 H LYS 13 8.369 8.484 22.808 231 HA LYS 13 HA LYS 13 7.977 10.608 24.580 232 1HB LYS 13 1HB LYS 13 8.353 10.309 21.667 233 2HB LYS 13 2HB LYS 13 7.558 11.794 22.170 234 1HG LYS 13 1HG LYS 13 9.730 12.470 22.216 235 2HG LYS 13 2HG LYS 13 9.558 11.895 23.876 236 1HD LYS 13 1HD LYS 13 10.914 10.111 23.540 237 2HD LYS 13 2HD LYS 13 10.380 9.884 21.874 238 1HE LYS 13 1HE LYS 13 11.670 12.215 21.605 239 2HE LYS 13 2HE LYS 13 12.573 11.546 22.964 240 1HZ LYS 13 1HZ LYS 13 13.748 10.596 21.314 241 2HZ LYS 13 2HZ LYS 13 12.485 10.682 20.192 242 3HZ LYS 13 3HZ LYS 13 12.508 9.444 21.344 243 H CYS 14 H CYS 14 6.343 12.422 24.156 244 HA CYS 14 HA CYS 14 3.697 11.234 24.303 245 1HB CYS 14 1HB CYS 14 4.868 13.901 24.993 246 2HB CYS 14 2HB CYS 14 3.130 13.767 24.747 247 H SER 15 H SER 15 4.446 10.848 21.808 248 HA SER 15 HA SER 15 2.580 12.414 20.298 249 1HB SER 15 1HB SER 15 4.081 13.389 18.711 250 2HB SER 15 2HB SER 15 4.679 13.828 20.310 251 HG SER 15 HG SER 15 6.321 12.407 20.103 252 H VAL 16 H VAL 16 2.574 11.695 17.948 253 HA VAL 16 HA VAL 16 2.592 8.820 17.899 254 HB VAL 16 HB VAL 16 2.063 10.657 15.564 255 1HG1 VAL 16 1HG1 VAL 16 1.487 7.786 16.180 256 2HG1 VAL 16 2HG1 VAL 16 2.209 8.496 14.737 257 3HG1 VAL 16 3HG1 VAL 16 0.481 8.679 15.040 258 1HG2 VAL 16 1HG2 VAL 16 0.189 9.756 17.746 259 2HG2 VAL 16 2HG2 VAL 16 -0.342 10.447 16.212 260 3HG2 VAL 16 3HG2 VAL 16 0.629 11.410 17.324 261 H ASN 17 H ASN 17 3.602 7.580 16.139 262 HA ASN 17 HA ASN 17 6.359 8.415 15.780 263 1HB ASN 17 1HB ASN 17 6.649 6.111 14.850 264 2HB ASN 17 2HB ASN 17 6.010 6.138 16.491 265 1HD2 ASN 17 1HD2 ASN 17 5.824 4.054 14.487 266 2HD2 ASN 17 2HD2 ASN 17 4.138 3.776 14.228 267 H TRP 18 H TRP 18 4.975 10.146 14.363 268 HA TRP 18 HA TRP 18 4.379 9.348 11.705 269 1HB TRP 18 1HB TRP 18 3.904 11.597 13.255 270 2HB TRP 18 2HB TRP 18 5.014 12.176 12.016 271 HD1 TRP 18 HD1 TRP 18 3.919 10.438 9.570 272 HE1 TRP 18 HE1 TRP 18 1.632 11.021 8.542 273 HE3 TRP 18 HE3 TRP 18 1.889 13.001 13.500 274 HZ2 TRP 18 HZ2 TRP 18 -0.720 12.388 9.296 275 HZ3 TRP 18 HZ3 TRP 18 -0.383 13.914 13.267 276 HH2 TRP 18 HH2 TRP 18 -1.660 13.614 11.206 277 H GLY 19 H GLY 19 7.316 9.742 13.267 278 1HA GLY 19 1HA GLY 19 8.685 10.408 10.736 279 2HA GLY 19 2HA GLY 19 9.342 10.740 12.332 280 H GLN 20 H GLN 20 9.028 8.411 13.665 281 HA GLN 20 HA GLN 20 11.175 6.863 12.818 282 1HB GLN 20 1HB GLN 20 8.844 6.118 14.597 283 2HB GLN 20 2HB GLN 20 10.281 5.125 14.396 284 1HG GLN 20 1HG GLN 20 10.399 7.969 15.347 285 2HG GLN 20 2HG GLN 20 10.201 6.600 16.441 286 1HE2 GLN 20 1HE2 GLN 20 12.346 8.314 16.637 287 2HE2 GLN 20 2HE2 GLN 20 13.792 7.475 16.199 288 H ALA 21 H ALA 21 7.744 5.801 12.754 289 HA ALA 21 HA ALA 21 8.330 3.711 10.990 290 1HB ALA 21 1HB ALA 21 6.259 3.004 11.324 291 2HB ALA 21 2HB ALA 21 5.568 4.562 10.867 292 3HB ALA 21 3HB ALA 21 6.161 4.307 12.509 293 H PHE 22 H PHE 22 8.321 6.846 10.412 294 HA PHE 22 HA PHE 22 7.210 6.951 7.791 295 1HB PHE 22 1HB PHE 22 7.828 8.921 9.454 296 2HB PHE 22 2HB PHE 22 9.396 8.813 8.660 297 HD1 PHE 22 HD1 PHE 22 5.872 9.685 8.252 298 HD2 PHE 22 HD2 PHE 22 9.669 9.439 6.347 299 HE1 PHE 22 HE1 PHE 22 5.031 11.076 6.405 300 HE2 PHE 22 HE2 PHE 22 8.836 10.831 4.497 301 HZ PHE 22 HZ PHE 22 6.514 11.652 4.525 302 H GLN 23 H GLN 23 10.271 6.301 9.284 303 HA GLN 23 HA GLN 23 11.724 6.000 6.812 304 1HB GLN 23 1HB GLN 23 12.992 6.759 8.683 305 2HB GLN 23 2HB GLN 23 12.371 5.482 9.719 306 1HG GLN 23 1HG GLN 23 13.766 3.889 8.817 307 2HG GLN 23 2HG GLN 23 13.967 4.768 7.302 308 1HE2 GLN 23 1HE2 GLN 23 15.258 4.111 10.353 309 2HE2 GLN 23 2HE2 GLN 23 16.564 5.242 10.318 310 H GLU 24 H GLU 24 9.732 4.072 8.866 311 HA GLU 24 HA GLU 24 10.762 1.525 8.243 312 1HB GLU 24 1HB GLU 24 9.088 0.676 9.514 313 2HB GLU 24 2HB GLU 24 9.024 2.336 10.069 314 1HG GLU 24 1HG GLU 24 6.830 2.094 9.671 315 2HG GLU 24 2HG GLU 24 7.296 2.475 8.017 316 H ARG 25 H ARG 25 8.422 3.613 6.707 317 HA ARG 25 HA ARG 25 7.445 1.699 4.861 318 1HB ARG 25 1HB ARG 25 7.235 4.652 5.187 319 2HB ARG 25 2HB ARG 25 6.817 3.961 3.624 320 1HG ARG 25 1HG ARG 25 5.394 2.329 5.164 321 2HG ARG 25 2HG ARG 25 5.440 3.732 6.233 322 1HD ARG 25 1HD ARG 25 4.645 5.111 4.288 323 2HD ARG 25 2HD ARG 25 4.397 3.601 3.410 324 HE ARG 25 HE ARG 25 3.088 3.688 5.970 325 1HH1 ARG 25 1HH1 ARG 25 2.808 4.478 2.582 326 2HH1 ARG 25 2HH1 ARG 25 1.077 4.463 2.594 327 1HH2 ARG 25 1HH2 ARG 25 0.812 3.669 5.988 328 2HH2 ARG 25 2HH2 ARG 25 -0.057 4.005 4.527 329 H TYR 26 H TYR 26 10.133 3.882 4.893 330 HA TYR 26 HA TYR 26 10.706 3.865 2.129 331 1HB TYR 26 1HB TYR 26 11.806 5.039 4.452 332 2HB TYR 26 2HB TYR 26 13.107 4.130 3.691 333 HD1 TYR 26 HD1 TYR 26 10.304 6.334 2.543 334 HD2 TYR 26 HD2 TYR 26 14.441 5.375 2.294 335 HE1 TYR 26 HE1 TYR 26 10.624 8.160 0.928 336 HE2 TYR 26 HE2 TYR 26 14.773 7.199 0.679 337 HH TYR 26 HH TYR 26 12.358 9.562 0.052 338 H THR 27 H THR 27 11.984 1.948 4.832 339 HA THR 27 HA THR 27 13.725 0.367 3.268 340 HB THR 27 HB THR 27 12.439 -0.309 5.920 341 HG1 THR 27 HG1 THR 27 13.752 1.079 6.747 342 1HG2 THR 27 1HG2 THR 27 13.490 -2.255 4.925 343 2HG2 THR 27 2HG2 THR 27 14.410 -1.682 6.317 344 3HG2 THR 27 3HG2 THR 27 14.977 -1.341 4.682 345 H ALA 28 H ALA 28 10.343 0.058 4.145 346 HA ALA 28 HA ALA 28 9.981 -2.626 3.376 347 1HB ALA 28 1HB ALA 28 8.222 -0.321 3.945 348 2HB ALA 28 2HB ALA 28 8.185 -1.965 4.583 349 3HB ALA 28 3HB ALA 28 7.531 -1.626 2.980 350 H GLY 29 H GLY 29 10.033 0.368 1.567 351 1HA GLY 29 1HA GLY 29 8.882 -0.730 -0.818 352 2HA GLY 29 2HA GLY 29 9.701 0.817 -0.674 353 H ILE 30 H ILE 30 12.178 -0.182 0.332 354 HA ILE 30 HA ILE 30 13.532 -0.694 -2.060 355 HB ILE 30 HB ILE 30 14.483 -1.328 0.737 356 1HG1 ILE 30 1HG1 ILE 30 14.821 1.191 -0.908 357 2HG1 ILE 30 2HG1 ILE 30 13.747 1.018 0.476 358 1HG2 ILE 30 1HG2 ILE 30 16.720 -0.712 -0.511 359 2HG2 ILE 30 2HG2 ILE 30 15.811 -1.253 -1.923 360 3HG2 ILE 30 3HG2 ILE 30 16.062 -2.347 -0.563 361 1HD1 ILE 30 1HD1 ILE 30 15.922 0.354 1.731 362 2HD1 ILE 30 2HD1 ILE 30 15.570 2.051 1.407 363 3HD1 ILE 30 3HD1 ILE 30 16.719 1.178 0.392 364 H ASN 31 H ASN 31 12.072 -2.859 0.254 365 HA ASN 31 HA ASN 31 13.368 -5.243 -0.335 366 1HB ASN 31 1HB ASN 31 11.553 -4.734 1.436 367 2HB ASN 31 2HB ASN 31 10.403 -5.129 0.163 368 1HD2 ASN 31 1HD2 ASN 31 12.056 -6.344 2.714 369 2HD2 ASN 31 2HD2 ASN 31 12.042 -8.021 2.301 370 H SER 32 H SER 32 10.342 -4.027 -1.784 371 HA SER 32 HA SER 32 10.106 -6.045 -3.716 372 1HB SER 32 1HB SER 32 8.801 -3.525 -3.098 373 2HB SER 32 2HB SER 32 8.938 -3.766 -4.840 374 HG SER 32 HG SER 32 7.596 -5.324 -2.925 375 H PHE 33 H PHE 33 11.868 -3.018 -3.691 376 HA PHE 33 HA PHE 33 12.461 -2.878 -6.439 377 1HB PHE 33 1HB PHE 33 13.454 -1.603 -3.964 378 2HB PHE 33 2HB PHE 33 14.586 -1.626 -5.313 379 HD1 PHE 33 HD1 PHE 33 11.937 0.119 -3.807 380 HD2 PHE 33 HD2 PHE 33 13.605 -0.832 -7.605 381 HE1 PHE 33 HE1 PHE 33 10.796 2.065 -4.790 382 HE2 PHE 33 HE2 PHE 33 12.469 1.112 -8.596 383 HZ PHE 33 HZ PHE 33 11.062 2.564 -7.188 384 H VAL 34 H VAL 34 14.105 -4.428 -3.725 385 HA VAL 34 HA VAL 34 16.490 -5.134 -4.954 386 HB VAL 34 HB VAL 34 14.955 -6.783 -2.933 387 1HG1 VAL 34 1HG1 VAL 34 17.259 -7.443 -4.324 388 2HG1 VAL 34 2HG1 VAL 34 16.698 -8.171 -2.819 389 3HG1 VAL 34 3HG1 VAL 34 17.853 -6.838 -2.776 390 1HG2 VAL 34 1HG2 VAL 34 15.919 -4.195 -2.653 391 2HG2 VAL 34 2HG2 VAL 34 17.158 -5.206 -1.910 392 3HG2 VAL 34 3HG2 VAL 34 15.487 -5.306 -1.354 393 H SER 35 H SER 35 13.923 -7.552 -4.396 394 HA SER 35 HA SER 35 14.787 -9.395 -6.137 395 1HB SER 35 1HB SER 35 12.890 -9.667 -4.515 396 2HB SER 35 2HB SER 35 11.875 -8.792 -5.654 397 HG SER 35 HG SER 35 12.522 -11.387 -5.638 398 H GLY 36 H GLY 36 12.311 -7.005 -6.975 399 1HA GLY 36 1HA GLY 36 11.794 -7.574 -9.554 400 2HA GLY 36 2HA GLY 36 12.130 -5.915 -9.056 401 H VAL 37 H VAL 37 14.754 -6.097 -8.361 402 HA VAL 37 HA VAL 37 16.052 -6.338 -10.925 403 HB VAL 37 HB VAL 37 17.109 -5.206 -8.333 404 1HG1 VAL 37 1HG1 VAL 37 18.556 -4.019 -10.259 405 2HG1 VAL 37 2HG1 VAL 37 18.260 -5.577 -11.030 406 3HG1 VAL 37 3HG1 VAL 37 19.052 -5.508 -9.455 407 1HG2 VAL 37 1HG2 VAL 37 16.265 -3.180 -8.864 408 2HG2 VAL 37 2HG2 VAL 37 15.083 -4.143 -9.750 409 3HG2 VAL 37 3HG2 VAL 37 16.456 -3.432 -10.599 410 H ALA 38 H ALA 38 17.104 -7.037 -7.606 411 HA ALA 38 HA ALA 38 18.925 -9.040 -8.494 412 1HB ALA 38 1HB ALA 38 20.000 -8.718 -6.548 413 2HB ALA 38 2HB ALA 38 18.506 -8.682 -5.602 414 3HB ALA 38 3HB ALA 38 19.023 -7.251 -6.503 415 H SER 39 H SER 39 16.791 -9.157 -5.739 416 HA SER 39 HA SER 39 16.733 -11.903 -5.519 417 1HB SER 39 1HB SER 39 16.063 -9.799 -3.988 418 2HB SER 39 2HB SER 39 14.477 -10.491 -4.341 419 HG SER 39 HG SER 39 16.213 -11.333 -2.568 420 H GLY 40 H GLY 40 15.362 -10.367 -8.025 421 1HA GLY 40 1HA GLY 40 13.536 -12.572 -8.502 422 2HA GLY 40 2HA GLY 40 12.788 -10.986 -8.393 423 H ALA 41 H ALA 41 15.868 -12.000 -9.848 424 HA ALA 41 HA ALA 41 15.582 -10.361 -12.105 425 1HB ALA 41 1HB ALA 41 17.382 -11.990 -13.043 426 2HB ALA 41 2HB ALA 41 17.378 -12.633 -11.401 427 3HB ALA 41 3HB ALA 41 17.771 -10.936 -11.682 428 H GLY 42 H GLY 42 16.019 -13.794 -12.602 429 1HA GLY 42 1HA GLY 42 13.619 -14.700 -13.461 430 2HA GLY 42 2HA GLY 42 14.175 -13.739 -14.823 431 H SER 43 H SER 43 15.712 -16.040 -12.572 432 HA SER 43 HA SER 43 17.182 -17.741 -12.938 433 1HB SER 43 1HB SER 43 16.296 -19.497 -14.175 434 2HB SER 43 2HB SER 43 14.863 -18.528 -13.838 435 HG SER 43 HG SER 43 15.356 -17.511 -15.956 436 H ILE 44 H ILE 44 17.786 -15.166 -14.268 437 HA ILE 44 HA ILE 44 19.271 -16.078 -16.614 438 HB ILE 44 HB ILE 44 19.669 -13.498 -16.770 439 1HG1 ILE 44 1HG1 ILE 44 16.957 -13.286 -15.581 440 2HG1 ILE 44 2HG1 ILE 44 18.324 -13.376 -14.474 441 1HG2 ILE 44 1HG2 ILE 44 18.111 -15.237 -18.091 442 2HG2 ILE 44 2HG2 ILE 44 18.199 -13.518 -18.479 443 3HG2 ILE 44 3HG2 ILE 44 16.884 -14.130 -17.474 444 1HD1 ILE 44 1HD1 ILE 44 19.192 -11.366 -15.171 445 2HD1 ILE 44 2HD1 ILE 44 17.455 -11.074 -15.250 446 3HD1 ILE 44 3HD1 ILE 44 18.359 -11.423 -16.724 447 H GLY 45 H GLY 45 20.171 -16.784 -14.022 448 1HA GLY 45 1HA GLY 45 22.806 -15.514 -14.104 449 2HA GLY 45 2HA GLY 45 21.928 -15.453 -12.584 450 H ARG 46 H ARG 46 21.967 -18.132 -14.881 451 HA ARG 46 HA ARG 46 22.986 -19.855 -12.747 452 1HB ARG 46 1HB ARG 46 22.178 -21.715 -14.093 453 2HB ARG 46 2HB ARG 46 20.902 -20.528 -13.869 454 1HG ARG 46 1HG ARG 46 20.633 -20.901 -16.083 455 2HG ARG 46 2HG ARG 46 21.862 -19.638 -16.182 456 1HD ARG 46 1HD ARG 46 23.588 -21.216 -16.536 457 2HD ARG 46 2HD ARG 46 22.545 -22.564 -16.085 458 HE ARG 46 HE ARG 46 21.290 -21.518 -18.235 459 1HH1 ARG 46 1HH1 ARG 46 24.581 -22.533 -17.664 460 2HH1 ARG 46 2HH1 ARG 46 24.859 -22.986 -19.313 461 1HH2 ARG 46 1HH2 ARG 46 21.655 -22.114 -20.404 462 2HH2 ARG 46 2HH2 ARG 46 23.199 -22.747 -20.868 Start of MODEL 11 1 1H MET -18 1H MET -18 5.179 27.363 -10.243 2 2H MET -18 2H MET -18 4.158 26.168 -9.552 3 3H MET -18 3H MET -18 4.866 27.376 -8.557 4 HA MET -18 HA MET -18 2.703 28.038 -8.825 5 1HB MET -18 1HB MET -18 4.790 29.564 -9.600 6 2HB MET -18 2HB MET -18 3.839 29.596 -11.079 7 1HG MET -18 1HG MET -18 2.677 30.271 -8.396 8 2HG MET -18 2HG MET -18 3.450 31.470 -9.431 9 1HE MET -18 1HE MET -18 1.873 30.724 -12.651 10 2HE MET -18 2HE MET -18 3.009 31.721 -11.744 11 3HE MET -18 3HE MET -18 1.393 32.329 -12.101 12 H ASN -17 H ASN -17 4.076 27.369 -12.041 13 HA ASN -17 HA ASN -17 1.412 27.164 -13.184 14 1HB ASN -17 1HB ASN -17 3.708 28.100 -14.236 15 2HB ASN -17 2HB ASN -17 3.795 26.433 -14.795 16 1HD2 ASN -17 1HD2 ASN -17 1.332 28.974 -14.484 17 2HD2 ASN -17 2HD2 ASN -17 0.668 28.758 -16.063 18 H SER -16 H SER -16 1.404 25.281 -11.392 19 HA SER -16 HA SER -16 2.372 22.776 -12.520 20 1HB SER -16 1HB SER -16 1.392 23.672 -9.865 21 2HB SER -16 2HB SER -16 1.058 21.995 -10.300 22 HG SER -16 HG SER -16 3.052 22.086 -9.294 23 H VAL -15 H VAL -15 0.883 23.098 -14.391 24 HA VAL -15 HA VAL -15 -1.915 22.499 -13.803 25 HB VAL -15 HB VAL -15 -0.657 23.038 -16.493 26 1HG1 VAL -15 1HG1 VAL -15 -3.541 23.325 -15.694 27 2HG1 VAL -15 2HG1 VAL -15 -2.881 21.834 -16.367 28 3HG1 VAL -15 3HG1 VAL -15 -2.851 23.319 -17.317 29 1HG2 VAL -15 1HG2 VAL -15 -0.326 24.959 -15.043 30 2HG2 VAL -15 2HG2 VAL -15 -2.039 24.955 -14.620 31 3HG2 VAL -15 3HG2 VAL -15 -1.539 25.318 -16.272 32 H LYS -14 H LYS -14 0.972 21.041 -14.991 33 HA LYS -14 HA LYS -14 -0.410 18.740 -16.091 34 1HB LYS -14 1HB LYS -14 1.822 19.764 -16.944 35 2HB LYS -14 2HB LYS -14 2.553 18.897 -15.600 36 1HG LYS -14 1HG LYS -14 2.774 17.248 -17.097 37 2HG LYS -14 2HG LYS -14 1.080 16.927 -16.720 38 1HD LYS -14 1HD LYS -14 1.907 18.822 -18.903 39 2HD LYS -14 2HD LYS -14 1.708 17.091 -19.185 40 1HE LYS -14 1HE LYS -14 -0.406 17.721 -19.687 41 2HE LYS -14 2HE LYS -14 -0.608 17.601 -17.940 42 1HZ LYS -14 1HZ LYS -14 0.060 20.050 -17.932 43 2HZ LYS -14 2HZ LYS -14 -1.493 19.664 -18.478 44 3HZ LYS -14 3HZ LYS -14 -0.273 20.026 -19.591 45 H GLU -13 H GLU -13 1.219 19.747 -13.190 46 HA GLU -13 HA GLU -13 1.350 17.125 -12.054 47 1HB GLU -13 1HB GLU -13 2.131 19.853 -11.242 48 2HB GLU -13 2HB GLU -13 1.686 18.770 -9.930 49 1HG GLU -13 1HG GLU -13 3.670 17.955 -12.019 50 2HG GLU -13 2HG GLU -13 4.145 18.905 -10.613 51 H LEU -12 H LEU -12 -0.711 19.941 -11.833 52 HA LEU -12 HA LEU -12 -2.363 18.851 -9.760 53 1HB LEU -12 1HB LEU -12 -1.975 21.330 -10.379 54 2HB LEU -12 2HB LEU -12 -3.191 21.061 -11.612 55 HG LEU -12 HG LEU -12 -4.066 22.090 -9.517 56 1HD1 LEU -12 1HD1 LEU -12 -5.410 19.468 -9.632 57 2HD1 LEU -12 2HD1 LEU -12 -5.257 20.338 -11.159 58 3HD1 LEU -12 3HD1 LEU -12 -6.073 21.094 -9.790 59 1HD2 LEU -12 1HD2 LEU -12 -4.187 20.903 -7.496 60 2HD2 LEU -12 2HD2 LEU -12 -2.526 20.689 -8.049 61 3HD2 LEU -12 3HD2 LEU -12 -3.700 19.389 -8.257 62 H ASN -11 H ASN -11 -2.291 18.686 -13.214 63 HA ASN -11 HA ASN -11 -5.002 17.917 -13.578 64 1HB ASN -11 1HB ASN -11 -3.714 18.870 -15.422 65 2HB ASN -11 2HB ASN -11 -2.605 17.502 -15.371 66 1HD2 ASN -11 1HD2 ASN -11 -4.931 18.742 -17.152 67 2HD2 ASN -11 2HD2 ASN -11 -5.686 17.315 -17.766 68 H VAL -10 H VAL -10 -2.047 16.243 -12.888 69 HA VAL -10 HA VAL -10 -3.032 13.618 -13.453 70 HB VAL -10 HB VAL -10 -0.699 14.342 -11.680 71 1HG1 VAL -10 1HG1 VAL -10 -1.771 11.846 -12.813 72 2HG1 VAL -10 2HG1 VAL -10 -0.808 12.114 -11.360 73 3HG1 VAL -10 3HG1 VAL -10 -0.024 12.052 -12.939 74 1HG2 VAL -10 1HG2 VAL -10 -0.981 15.041 -14.343 75 2HG2 VAL -10 2HG2 VAL -10 -0.043 13.549 -14.395 76 3HG2 VAL -10 3HG2 VAL -10 0.534 14.920 -13.448 77 H LYS -9 H LYS -9 -2.636 15.562 -10.520 78 HA LYS -9 HA LYS -9 -3.292 13.656 -8.613 79 1HB LYS -9 1HB LYS -9 -3.367 16.611 -8.758 80 2HB LYS -9 2HB LYS -9 -4.353 15.877 -7.502 81 1HG LYS -9 1HG LYS -9 -2.500 15.925 -6.268 82 2HG LYS -9 2HG LYS -9 -1.989 14.535 -7.228 83 1HD LYS -9 1HD LYS -9 -0.434 15.721 -8.344 84 2HD LYS -9 2HD LYS -9 -1.465 17.148 -8.466 85 1HE LYS -9 1HE LYS -9 -0.928 17.080 -5.795 86 2HE LYS -9 2HE LYS -9 0.573 16.450 -6.473 87 1HZ LYS -9 1HZ LYS -9 -0.602 18.872 -7.642 88 2HZ LYS -9 2HZ LYS -9 1.020 18.406 -7.539 89 3HZ LYS -9 3HZ LYS -9 0.223 18.998 -6.171 90 H GLU -8 H GLU -8 -5.335 15.333 -10.867 91 HA GLU -8 HA GLU -8 -7.813 15.118 -9.638 92 1HB GLU -8 1HB GLU -8 -7.041 15.005 -12.545 93 2HB GLU -8 2HB GLU -8 -8.715 15.032 -12.006 94 1HG GLU -8 1HG GLU -8 -6.817 17.146 -11.091 95 2HG GLU -8 2HG GLU -8 -7.540 17.234 -12.697 96 H MET -7 H MET -7 -6.964 13.029 -12.331 97 HA MET -7 HA MET -7 -8.760 10.992 -11.642 98 1HB MET -7 1HB MET -7 -7.682 9.665 -13.350 99 2HB MET -7 2HB MET -7 -7.812 11.327 -13.909 100 1HG MET -7 1HG MET -7 -5.388 11.505 -12.909 101 2HG MET -7 2HG MET -7 -5.404 9.760 -13.156 102 1HE MET -7 1HE MET -7 -4.489 12.948 -16.070 103 2HE MET -7 2HE MET -7 -3.390 12.106 -14.976 104 3HE MET -7 3HE MET -7 -4.743 13.032 -14.326 105 H LYS -6 H LYS -6 -5.381 11.500 -10.833 106 HA LYS -6 HA LYS -6 -4.694 8.994 -9.873 107 1HB LYS -6 1HB LYS -6 -3.804 11.772 -9.250 108 2HB LYS -6 2HB LYS -6 -3.278 10.475 -8.188 109 1HG LYS -6 1HG LYS -6 -2.707 9.389 -10.587 110 2HG LYS -6 2HG LYS -6 -2.485 11.103 -10.947 111 1HD LYS -6 1HD LYS -6 -1.174 9.592 -8.687 112 2HD LYS -6 2HD LYS -6 -0.397 10.056 -10.202 113 1HE LYS -6 1HE LYS -6 -1.289 12.452 -9.450 114 2HE LYS -6 2HE LYS -6 -1.144 11.710 -7.857 115 1HZ LYS -6 1HZ LYS -6 0.961 12.299 -9.825 116 2HZ LYS -6 2HZ LYS -6 1.188 11.042 -8.717 117 3HZ LYS -6 3HZ LYS -6 0.928 12.619 -8.164 118 H GLN -5 H GLN -5 -6.086 11.712 -8.002 119 HA GLN -5 HA GLN -5 -6.503 9.978 -5.734 120 1HB GLN -5 1HB GLN -5 -7.139 12.856 -6.291 121 2HB GLN -5 2HB GLN -5 -7.602 12.059 -4.796 122 1HG GLN -5 1HG GLN -5 -4.780 12.346 -5.805 123 2HG GLN -5 2HG GLN -5 -5.533 13.368 -4.580 124 1HE2 GLN -5 1HE2 GLN -5 -3.712 10.627 -5.135 125 2HE2 GLN -5 2HE2 GLN -5 -3.831 9.906 -3.569 126 H LEU -4 H LEU -4 -7.966 9.828 -8.443 127 HA LEU -4 HA LEU -4 -10.731 10.100 -7.607 128 1HB LEU -4 1HB LEU -4 -9.905 10.771 -9.909 129 2HB LEU -4 2HB LEU -4 -9.705 9.061 -10.239 130 HG LEU -4 HG LEU -4 -12.131 8.729 -9.845 131 1HD1 LEU -4 1HD1 LEU -4 -12.016 11.687 -9.393 132 2HD1 LEU -4 2HD1 LEU -4 -12.797 10.441 -8.419 133 3HD1 LEU -4 3HD1 LEU -4 -13.489 10.910 -9.972 134 1HD2 LEU -4 1HD2 LEU -4 -10.896 9.569 -12.084 135 2HD2 LEU -4 2HD2 LEU -4 -12.083 10.857 -11.883 136 3HD2 LEU -4 3HD2 LEU -4 -12.614 9.179 -12.001 137 H HIS -3 H HIS -3 -8.533 7.649 -8.792 138 HA HIS -3 HA HIS -3 -10.327 5.489 -8.226 139 1HB HIS -3 1HB HIS -3 -8.655 4.064 -9.150 140 2HB HIS -3 2HB HIS -3 -8.658 5.530 -10.122 141 HD1 HIS -3 HD1 HIS -3 -6.468 3.372 -8.165 142 HD2 HIS -3 HD2 HIS -3 -6.429 7.306 -9.499 143 HE1 HIS -3 HE1 HIS -3 -4.079 4.127 -7.957 144 HE2 HIS -3 HE2 HIS -3 -4.065 6.485 -8.847 145 H GLY -2 H GLY -2 -8.011 7.251 -6.450 146 1HA GLY -2 1HA GLY -2 -6.860 5.431 -4.740 147 2HA GLY -2 2HA GLY -2 -7.305 7.064 -4.272 148 H GLY -1 H GLY -1 -9.076 7.394 -2.981 149 1HA GLY -1 1HA GLY -1 -11.200 5.632 -2.578 150 2HA GLY -1 2HA GLY -1 -9.960 5.219 -1.405 151 H VAL 1 H VAL 1 -10.904 5.884 0.446 152 HA VAL 1 HA VAL 1 -12.572 7.985 0.935 153 HB VAL 1 HB VAL 1 -10.364 7.173 2.828 154 1HG1 VAL 1 1HG1 VAL 1 -11.395 8.974 3.826 155 2HG1 VAL 1 2HG1 VAL 1 -12.356 7.635 4.453 156 3HG1 VAL 1 3HG1 VAL 1 -12.967 8.607 3.114 157 1HG2 VAL 1 1HG2 VAL 1 -12.503 5.726 3.622 158 2HG2 VAL 1 2HG2 VAL 1 -11.231 5.108 2.568 159 3HG2 VAL 1 3HG2 VAL 1 -12.736 5.711 1.874 160 H ASN 2 H ASN 2 -12.216 10.075 1.980 161 HA ASN 2 HA ASN 2 -9.663 11.339 1.266 162 1HB ASN 2 1HB ASN 2 -11.779 11.760 -0.290 163 2HB ASN 2 2HB ASN 2 -12.170 12.928 0.969 164 1HD2 ASN 2 1HD2 ASN 2 -9.461 11.894 -1.067 165 2HD2 ASN 2 2HD2 ASN 2 -8.836 13.482 -1.337 166 H TYR 3 H TYR 3 -9.317 10.931 3.579 167 HA TYR 3 HA TYR 3 -9.084 11.684 5.711 168 1HB TYR 3 1HB TYR 3 -10.167 14.170 4.401 169 2HB TYR 3 2HB TYR 3 -9.811 14.120 6.123 170 HD1 TYR 3 HD1 TYR 3 -8.248 13.531 2.793 171 HD2 TYR 3 HD2 TYR 3 -7.652 14.565 6.877 172 HE1 TYR 3 HE1 TYR 3 -5.892 14.047 2.314 173 HE2 TYR 3 HE2 TYR 3 -5.294 15.083 6.409 174 HH TYR 3 HH TYR 3 -4.076 15.421 3.272 175 H GLY 4 H GLY 4 -10.771 9.992 6.053 176 1HA GLY 4 1HA GLY 4 -12.814 11.035 7.765 177 2HA GLY 4 2HA GLY 4 -13.479 10.389 6.272 178 H ASN 5 H ASN 5 -10.623 9.078 7.811 179 HA ASN 5 HA ASN 5 -12.018 6.539 8.140 180 1HB ASN 5 1HB ASN 5 -9.583 7.036 7.116 181 2HB ASN 5 2HB ASN 5 -9.133 6.769 8.798 182 1HD2 ASN 5 1HD2 ASN 5 -8.636 5.196 6.347 183 2HD2 ASN 5 2HD2 ASN 5 -9.227 3.611 6.694 184 H GLY 6 H GLY 6 -10.840 9.163 10.013 185 1HA GLY 6 1HA GLY 6 -11.648 9.425 12.268 186 2HA GLY 6 2HA GLY 6 -11.549 7.681 12.458 187 H VAL 7 H VAL 7 -9.904 10.673 12.755 188 HA VAL 7 HA VAL 7 -7.344 9.358 13.313 189 HB VAL 7 HB VAL 7 -7.955 12.273 13.295 190 1HG1 VAL 7 1HG1 VAL 7 -5.652 10.830 14.011 191 2HG1 VAL 7 2HG1 VAL 7 -5.813 12.577 13.835 192 3HG1 VAL 7 3HG1 VAL 7 -5.288 11.597 12.465 193 1HG2 VAL 7 1HG2 VAL 7 -8.387 12.008 11.102 194 2HG2 VAL 7 2HG2 VAL 7 -7.602 10.430 11.039 195 3HG2 VAL 7 3HG2 VAL 7 -6.633 11.900 10.952 196 H SER 8 H SER 8 -9.824 9.549 14.961 197 HA SER 8 HA SER 8 -9.037 11.016 17.317 198 1HB SER 8 1HB SER 8 -11.471 10.428 16.339 199 2HB SER 8 2HB SER 8 -11.285 9.078 17.459 200 HG SER 8 HG SER 8 -10.699 10.772 19.041 201 H CYS 9 H CYS 9 -8.684 10.078 19.390 202 HA CYS 9 HA CYS 9 -6.917 7.910 19.407 203 1HB CYS 9 1HB CYS 9 -8.207 9.629 21.409 204 2HB CYS 9 2HB CYS 9 -7.813 8.017 21.999 205 H SER 10 H SER 10 -7.245 5.795 19.314 206 HA SER 10 HA SER 10 -9.579 4.595 20.542 207 1HB SER 10 1HB SER 10 -9.068 3.972 17.640 208 2HB SER 10 2HB SER 10 -10.476 3.566 18.620 209 HG SER 10 HG SER 10 -11.002 5.308 17.330 210 H LYS 11 H LYS 11 -8.661 3.112 21.760 211 HA LYS 11 HA LYS 11 -7.407 1.363 22.468 212 1HB LYS 11 1HB LYS 11 -8.571 0.397 20.445 213 2HB LYS 11 2HB LYS 11 -7.071 0.661 19.568 214 1HG LYS 11 1HG LYS 11 -6.041 -1.086 20.535 215 2HG LYS 11 2HG LYS 11 -6.787 -0.790 22.106 216 1HD LYS 11 1HD LYS 11 -8.733 -1.636 20.129 217 2HD LYS 11 2HD LYS 11 -7.432 -2.813 20.315 218 1HE LYS 11 1HE LYS 11 -8.841 -3.531 21.962 219 2HE LYS 11 2HE LYS 11 -7.871 -2.377 22.878 220 1HZ LYS 11 1HZ LYS 11 -10.349 -2.220 23.165 221 2HZ LYS 11 2HZ LYS 11 -10.426 -1.630 21.581 222 3HZ LYS 11 3HZ LYS 11 -9.568 -0.775 22.761 223 H THR 12 H THR 12 -6.071 3.863 20.862 224 HA THR 12 HA THR 12 -3.420 3.112 21.670 225 HB THR 12 HB THR 12 -4.295 3.133 18.879 226 HG1 THR 12 HG1 THR 12 -1.945 2.210 20.166 227 1HG2 THR 12 1HG2 THR 12 -1.725 4.541 19.570 228 2HG2 THR 12 2HG2 THR 12 -3.131 5.261 18.787 229 3HG2 THR 12 3HG2 THR 12 -2.208 4.007 17.960 230 H LYS 13 H LYS 13 -1.891 4.985 21.473 231 HA LYS 13 HA LYS 13 -2.978 7.283 22.627 232 1HB LYS 13 1HB LYS 13 -0.352 6.530 21.474 233 2HB LYS 13 2HB LYS 13 -0.673 8.252 21.624 234 1HG LYS 13 1HG LYS 13 0.238 7.934 23.658 235 2HG LYS 13 2HG LYS 13 -1.414 7.468 24.068 236 1HD LYS 13 1HD LYS 13 -0.409 5.609 24.864 237 2HD LYS 13 2HD LYS 13 -0.455 5.110 23.172 238 1HE LYS 13 1HE LYS 13 1.851 6.441 24.590 239 2HE LYS 13 2HE LYS 13 1.757 4.748 24.107 240 1HZ LYS 13 1HZ LYS 13 1.569 6.969 22.157 241 2HZ LYS 13 2HZ LYS 13 1.857 5.332 21.846 242 3HZ LYS 13 3HZ LYS 13 3.047 6.271 22.596 243 H CYS 14 H CYS 14 -2.478 9.554 21.577 244 HA CYS 14 HA CYS 14 -3.964 9.579 19.057 245 1HB CYS 14 1HB CYS 14 -3.506 11.555 21.248 246 2HB CYS 14 2HB CYS 14 -3.849 12.166 19.634 247 H SER 15 H SER 15 -1.060 8.907 19.289 248 HA SER 15 HA SER 15 -0.087 10.913 17.374 249 1HB SER 15 1HB SER 15 2.203 10.623 18.366 250 2HB SER 15 2HB SER 15 1.050 11.413 19.440 251 HG SER 15 HG SER 15 1.665 9.912 20.783 252 H VAL 16 H VAL 16 -0.022 9.858 15.503 253 HA VAL 16 HA VAL 16 0.315 7.053 15.253 254 HB VAL 16 HB VAL 16 0.777 9.053 13.045 255 1HG1 VAL 16 1HG1 VAL 16 -0.426 7.116 11.798 256 2HG1 VAL 16 2HG1 VAL 16 0.061 6.156 13.194 257 3HG1 VAL 16 3HG1 VAL 16 1.282 6.960 12.208 258 1HG2 VAL 16 1HG2 VAL 16 -1.273 9.834 13.601 259 2HG2 VAL 16 2HG2 VAL 16 -1.713 8.369 14.479 260 3HG2 VAL 16 3HG2 VAL 16 -1.807 8.403 12.718 261 H ASN 17 H ASN 17 2.056 6.035 13.941 262 HA ASN 17 HA ASN 17 4.640 6.869 14.948 263 1HB ASN 17 1HB ASN 17 3.704 4.441 13.415 264 2HB ASN 17 2HB ASN 17 5.400 4.729 13.793 265 1HD2 ASN 17 1HD2 ASN 17 5.619 2.970 15.113 266 2HD2 ASN 17 2HD2 ASN 17 4.856 2.845 16.658 267 H TRP 18 H TRP 18 3.973 8.835 13.382 268 HA TRP 18 HA TRP 18 4.518 8.553 10.630 269 1HB TRP 18 1HB TRP 18 3.891 10.702 12.466 270 2HB TRP 18 2HB TRP 18 5.107 11.202 11.295 271 HD1 TRP 18 HD1 TRP 18 1.574 9.608 11.315 272 HE1 TRP 18 HE1 TRP 18 0.344 10.380 9.189 273 HE3 TRP 18 HE3 TRP 18 5.356 12.239 9.101 274 HZ2 TRP 18 HZ2 TRP 18 0.905 11.904 6.880 275 HZ3 TRP 18 HZ3 TRP 18 4.927 13.324 6.934 276 HH2 TRP 18 HH2 TRP 18 2.747 13.158 5.847 277 H GLY 19 H GLY 19 6.625 8.338 13.233 278 1HA GLY 19 1HA GLY 19 8.902 9.323 11.640 279 2HA GLY 19 2HA GLY 19 8.905 9.115 13.385 280 H GLN 20 H GLN 20 8.248 6.686 13.959 281 HA GLN 20 HA GLN 20 10.411 5.091 13.251 282 1HB GLN 20 1HB GLN 20 8.388 4.890 15.074 283 2HB GLN 20 2HB GLN 20 7.948 3.620 13.940 284 1HG GLN 20 1HG GLN 20 10.631 3.197 14.293 285 2HG GLN 20 2HG GLN 20 10.109 3.731 15.889 286 1HE2 GLN 20 1HE2 GLN 20 10.220 1.172 13.680 287 2HE2 GLN 20 2HE2 GLN 20 9.261 0.041 14.567 288 H ALA 21 H ALA 21 7.014 4.583 12.192 289 HA ALA 21 HA ALA 21 7.799 2.777 10.199 290 1HB ALA 21 1HB ALA 21 5.612 2.506 9.642 291 2HB ALA 21 2HB ALA 21 5.236 4.215 9.883 292 3HB ALA 21 3HB ALA 21 5.451 3.153 11.276 293 H PHE 22 H PHE 22 8.386 5.893 10.310 294 HA PHE 22 HA PHE 22 7.956 6.666 7.596 295 1HB PHE 22 1HB PHE 22 8.412 8.188 9.696 296 2HB PHE 22 2HB PHE 22 10.101 7.888 9.308 297 HD1 PHE 22 HD1 PHE 22 11.129 8.857 7.380 298 HD2 PHE 22 HD2 PHE 22 6.987 9.449 8.158 299 HE1 PHE 22 HE1 PHE 22 11.076 10.656 5.703 300 HE2 PHE 22 HE2 PHE 22 6.926 11.249 6.481 301 HZ PHE 22 HZ PHE 22 8.972 11.855 5.252 302 H GLN 23 H GLN 23 10.551 5.422 9.573 303 HA GLN 23 HA GLN 23 12.475 5.204 7.466 304 1HB GLN 23 1HB GLN 23 12.315 4.624 10.324 305 2HB GLN 23 2HB GLN 23 13.167 3.362 9.442 306 1HG GLN 23 1HG GLN 23 13.997 6.038 8.665 307 2HG GLN 23 2HG GLN 23 14.251 5.702 10.377 308 1HE2 GLN 23 1HE2 GLN 23 14.378 3.468 7.651 309 2HE2 GLN 23 2HE2 GLN 23 16.040 3.040 7.846 310 H GLU 24 H GLU 24 9.800 3.359 8.614 311 HA GLU 24 HA GLU 24 10.532 0.816 7.620 312 1HB GLU 24 1HB GLU 24 7.918 2.047 8.424 313 2HB GLU 24 2HB GLU 24 7.997 0.428 7.747 314 1HG GLU 24 1HG GLU 24 9.546 -0.214 9.560 315 2HG GLU 24 2HG GLU 24 9.340 1.390 10.261 316 H ARG 25 H ARG 25 8.300 3.293 6.379 317 HA ARG 25 HA ARG 25 7.633 2.037 3.992 318 1HB ARG 25 1HB ARG 25 7.734 4.930 4.797 319 2HB ARG 25 2HB ARG 25 7.239 4.452 3.178 320 1HG ARG 25 1HG ARG 25 5.926 3.384 5.660 321 2HG ARG 25 2HG ARG 25 5.391 4.854 4.845 322 1HD ARG 25 1HD ARG 25 5.602 2.136 3.553 323 2HD ARG 25 2HD ARG 25 4.112 2.845 4.172 324 HE ARG 25 HE ARG 25 5.464 4.506 2.256 325 1HH1 ARG 25 1HH1 ARG 25 3.208 1.874 2.667 326 2HH1 ARG 25 2HH1 ARG 25 2.431 2.137 1.143 327 1HH2 ARG 25 1HH2 ARG 25 4.443 4.852 0.251 328 2HH2 ARG 25 2HH2 ARG 25 3.134 3.826 -0.231 329 H TYR 26 H TYR 26 10.455 3.851 4.861 330 HA TYR 26 HA TYR 26 11.440 4.372 2.273 331 1HB TYR 26 1HB TYR 26 12.209 5.281 4.603 332 2HB TYR 26 2HB TYR 26 13.274 3.879 4.594 333 HD1 TYR 26 HD1 TYR 26 15.384 4.115 3.681 334 HD2 TYR 26 HD2 TYR 26 12.291 6.737 2.392 335 HE1 TYR 26 HE1 TYR 26 17.011 5.356 2.317 336 HE2 TYR 26 HE2 TYR 26 13.909 7.984 1.025 337 HH TYR 26 HH TYR 26 16.775 6.885 0.106 338 H THR 27 H THR 27 12.185 1.773 4.583 339 HA THR 27 HA THR 27 13.849 0.356 2.742 340 HB THR 27 HB THR 27 12.537 -0.638 5.280 341 HG1 THR 27 HG1 THR 27 14.272 0.115 6.334 342 1HG2 THR 27 1HG2 THR 27 13.350 -2.548 4.238 343 2HG2 THR 27 2HG2 THR 27 14.652 -2.069 5.327 344 3HG2 THR 27 3HG2 THR 27 14.767 -1.714 3.603 345 H ALA 28 H ALA 28 10.466 0.289 3.611 346 HA ALA 28 HA ALA 28 9.757 -2.194 2.525 347 1HB ALA 28 1HB ALA 28 7.634 -1.609 3.020 348 2HB ALA 28 2HB ALA 28 7.782 -0.020 2.269 349 3HB ALA 28 3HB ALA 28 8.424 -0.294 3.889 350 H GLY 29 H GLY 29 9.832 1.039 1.051 351 1HA GLY 29 1HA GLY 29 8.844 0.242 -1.475 352 2HA GLY 29 2HA GLY 29 9.759 1.706 -1.146 353 H ILE 30 H ILE 30 12.178 0.886 -0.404 354 HA ILE 30 HA ILE 30 13.406 0.129 -2.816 355 HB ILE 30 HB ILE 30 14.604 -0.007 -0.047 356 1HG1 ILE 30 1HG1 ILE 30 14.412 2.292 -2.002 357 2HG1 ILE 30 2HG1 ILE 30 13.668 2.199 -0.411 358 1HG2 ILE 30 1HG2 ILE 30 16.095 0.589 -2.572 359 2HG2 ILE 30 2HG2 ILE 30 15.765 -1.078 -2.101 360 3HG2 ILE 30 3HG2 ILE 30 16.700 -0.031 -1.036 361 1HD1 ILE 30 1HD1 ILE 30 15.450 3.194 0.427 362 2HD1 ILE 30 2HD1 ILE 30 16.255 3.145 -1.142 363 3HD1 ILE 30 3HD1 ILE 30 16.416 1.789 -0.025 364 H ASN 31 H ASN 31 12.270 -1.708 -0.084 365 HA ASN 31 HA ASN 31 13.692 -4.075 -0.361 366 1HB ASN 31 1HB ASN 31 11.229 -3.223 0.928 367 2HB ASN 31 2HB ASN 31 11.106 -4.874 0.327 368 1HD2 ASN 31 1HD2 ASN 31 11.704 -6.366 1.702 369 2HD2 ASN 31 2HD2 ASN 31 12.858 -6.184 2.975 370 H SER 32 H SER 32 10.376 -3.560 -1.592 371 HA SER 32 HA SER 32 10.307 -5.800 -3.244 372 1HB SER 32 1HB SER 32 8.404 -4.167 -2.553 373 2HB SER 32 2HB SER 32 8.880 -3.258 -3.987 374 HG SER 32 HG SER 32 7.199 -4.851 -4.332 375 H PHE 33 H PHE 33 11.641 -2.621 -3.762 376 HA PHE 33 HA PHE 33 11.971 -2.748 -6.554 377 1HB PHE 33 1HB PHE 33 12.278 -0.596 -5.833 378 2HB PHE 33 2HB PHE 33 13.040 -1.094 -4.329 379 HD1 PHE 33 HD1 PHE 33 15.285 -0.737 -4.052 380 HD2 PHE 33 HD2 PHE 33 13.709 -0.997 -7.997 381 HE1 PHE 33 HE1 PHE 33 17.493 -0.150 -4.968 382 HE2 PHE 33 HE2 PHE 33 15.915 -0.413 -8.921 383 HZ PHE 33 HZ PHE 33 17.810 0.011 -7.406 384 H VAL 34 H VAL 34 14.399 -3.222 -3.976 385 HA VAL 34 HA VAL 34 16.459 -4.163 -5.583 386 HB VAL 34 HB VAL 34 15.897 -5.081 -2.757 387 1HG1 VAL 34 1HG1 VAL 34 17.806 -5.986 -4.462 388 2HG1 VAL 34 2HG1 VAL 34 17.965 -5.962 -2.706 389 3HG1 VAL 34 3HG1 VAL 34 18.656 -4.658 -3.671 390 1HG2 VAL 34 1HG2 VAL 34 16.260 -3.009 -2.051 391 2HG2 VAL 34 2HG2 VAL 34 16.407 -2.457 -3.719 392 3HG2 VAL 34 3HG2 VAL 34 17.835 -3.009 -2.843 393 H SER 35 H SER 35 14.499 -6.288 -3.478 394 HA SER 35 HA SER 35 15.217 -8.638 -4.548 395 1HB SER 35 1HB SER 35 13.835 -8.475 -2.525 396 2HB SER 35 2HB SER 35 12.487 -7.902 -3.501 397 HG SER 35 HG SER 35 13.008 -10.366 -2.894 398 H GLY 36 H GLY 36 12.335 -6.861 -5.569 399 1HA GLY 36 1HA GLY 36 11.333 -8.419 -7.522 400 2HA GLY 36 2HA GLY 36 11.566 -6.691 -7.789 401 H VAL 37 H VAL 37 14.270 -6.493 -7.770 402 HA VAL 37 HA VAL 37 14.994 -7.727 -10.274 403 HB VAL 37 HB VAL 37 16.444 -5.599 -8.702 404 1HG1 VAL 37 1HG1 VAL 37 17.318 -5.222 -11.166 405 2HG1 VAL 37 2HG1 VAL 37 16.939 -6.938 -11.314 406 3HG1 VAL 37 3HG1 VAL 37 18.083 -6.390 -10.089 407 1HG2 VAL 37 1HG2 VAL 37 14.588 -5.331 -11.066 408 2HG2 VAL 37 2HG2 VAL 37 15.507 -4.022 -10.322 409 3HG2 VAL 37 3HG2 VAL 37 14.237 -4.839 -9.409 410 H ALA 38 H ALA 38 16.826 -6.978 -7.329 411 HA ALA 38 HA ALA 38 18.654 -9.109 -7.810 412 1HB ALA 38 1HB ALA 38 20.077 -7.991 -6.482 413 2HB ALA 38 2HB ALA 38 18.840 -7.640 -5.268 414 3HB ALA 38 3HB ALA 38 18.942 -6.666 -6.740 415 H SER 39 H SER 39 17.198 -8.178 -4.782 416 HA SER 39 HA SER 39 17.516 -10.641 -3.558 417 1HB SER 39 1HB SER 39 17.068 -8.132 -2.754 418 2HB SER 39 2HB SER 39 15.491 -8.859 -2.438 419 HG SER 39 HG SER 39 16.325 -9.903 -0.819 420 H GLY 40 H GLY 40 15.586 -10.418 -6.046 421 1HA GLY 40 1HA GLY 40 13.227 -11.669 -4.855 422 2HA GLY 40 2HA GLY 40 13.385 -11.129 -6.520 423 H ALA 41 H ALA 41 15.881 -13.023 -5.028 424 HA ALA 41 HA ALA 41 14.929 -15.577 -5.792 425 1HB ALA 41 1HB ALA 41 16.501 -14.040 -7.766 426 2HB ALA 41 2HB ALA 41 15.300 -15.308 -8.009 427 3HB ALA 41 3HB ALA 41 16.948 -15.731 -7.543 428 H GLY 42 H GLY 42 16.182 -14.303 -3.533 429 1HA GLY 42 1HA GLY 42 18.917 -15.195 -3.405 430 2HA GLY 42 2HA GLY 42 17.977 -14.519 -2.085 431 H SER 43 H SER 43 16.093 -16.905 -3.310 432 HA SER 43 HA SER 43 17.090 -18.822 -1.324 433 1HB SER 43 1HB SER 43 14.870 -19.664 -1.142 434 2HB SER 43 2HB SER 43 14.719 -17.907 -1.161 435 HG SER 43 HG SER 43 14.227 -19.725 -3.277 436 H ILE 44 H ILE 44 18.015 -18.447 -4.171 437 HA ILE 44 HA ILE 44 17.324 -21.097 -5.237 438 HB ILE 44 HB ILE 44 16.929 -19.140 -6.725 439 1HG1 ILE 44 1HG1 ILE 44 18.676 -20.199 -8.546 440 2HG1 ILE 44 2HG1 ILE 44 18.583 -21.491 -7.354 441 1HG2 ILE 44 1HG2 ILE 44 19.808 -18.853 -7.299 442 2HG2 ILE 44 2HG2 ILE 44 19.233 -18.134 -5.794 443 3HG2 ILE 44 3HG2 ILE 44 18.515 -17.653 -7.331 444 1HD1 ILE 44 1HD1 ILE 44 15.952 -20.557 -7.882 445 2HD1 ILE 44 2HD1 ILE 44 16.652 -22.145 -8.192 446 3HD1 ILE 44 3HD1 ILE 44 16.766 -20.878 -9.413 447 H GLY 45 H GLY 45 19.104 -20.914 -3.073 448 1HA GLY 45 1HA GLY 45 21.823 -20.880 -3.856 449 2HA GLY 45 2HA GLY 45 21.185 -21.609 -2.390 450 H ARG 46 H ARG 46 20.398 -23.796 -2.494 451 HA ARG 46 HA ARG 46 20.645 -25.421 -4.784 452 1HB ARG 46 1HB ARG 46 22.630 -26.720 -4.188 453 2HB ARG 46 2HB ARG 46 23.042 -25.036 -4.477 454 1HG ARG 46 1HG ARG 46 23.760 -24.724 -2.381 455 2HG ARG 46 2HG ARG 46 22.439 -25.662 -1.682 456 1HD ARG 46 1HD ARG 46 23.607 -27.612 -1.746 457 2HD ARG 46 2HD ARG 46 24.502 -27.156 -3.193 458 HE ARG 46 HE ARG 46 25.238 -25.602 -0.907 459 1HH1 ARG 46 1HH1 ARG 46 25.760 -28.642 -2.540 460 2HH1 ARG 46 2HH1 ARG 46 27.337 -28.877 -1.865 461 1HH2 ARG 46 1HH2 ARG 46 27.312 -25.909 -0.019 462 2HH2 ARG 46 2HH2 ARG 46 28.218 -27.325 -0.432 Start of MODEL 12 1 1H MET -18 1H MET -18 -3.452 -42.791 29.222 2 2H MET -18 2H MET -18 -4.216 -43.028 27.703 3 3H MET -18 3H MET -18 -4.317 -44.239 28.916 4 HA MET -18 HA MET -18 -6.348 -43.022 28.741 5 1HB MET -18 1HB MET -18 -4.607 -43.007 31.148 6 2HB MET -18 2HB MET -18 -6.083 -42.056 31.238 7 1HG MET -18 1HG MET -18 -6.402 -44.781 30.188 8 2HG MET -18 2HG MET -18 -5.912 -44.667 31.877 9 1HE MET -18 1HE MET -18 -8.558 -45.987 30.724 10 2HE MET -18 2HE MET -18 -9.840 -45.399 31.784 11 3HE MET -18 3HE MET -18 -8.320 -45.971 32.471 12 H ASN -17 H ASN -17 -7.358 -41.157 28.293 13 HA ASN -17 HA ASN -17 -5.745 -38.759 27.990 14 1HB ASN -17 1HB ASN -17 -7.408 -39.615 26.250 15 2HB ASN -17 2HB ASN -17 -8.675 -39.049 27.334 16 1HD2 ASN -17 1HD2 ASN -17 -6.851 -38.248 24.733 17 2HD2 ASN -17 2HD2 ASN -17 -6.966 -36.527 24.813 18 H SER -16 H SER -16 -5.714 -37.133 29.393 19 HA SER -16 HA SER -16 -7.067 -37.246 31.860 20 1HB SER -16 1HB SER -16 -6.277 -34.781 31.998 21 2HB SER -16 2HB SER -16 -5.054 -36.047 31.900 22 HG SER -16 HG SER -16 -6.046 -34.731 29.603 23 H VAL -15 H VAL -15 -9.083 -36.724 32.371 24 HA VAL -15 HA VAL -15 -10.678 -35.211 30.447 25 HB VAL -15 HB VAL -15 -11.653 -36.609 32.937 26 1HG1 VAL -15 1HG1 VAL -15 -13.819 -36.572 31.765 27 2HG1 VAL -15 2HG1 VAL -15 -13.075 -35.655 30.454 28 3HG1 VAL -15 3HG1 VAL -15 -13.190 -34.952 32.067 29 1HG2 VAL -15 1HG2 VAL -15 -10.988 -38.480 31.870 30 2HG2 VAL -15 2HG2 VAL -15 -10.887 -37.677 30.302 31 3HG2 VAL -15 3HG2 VAL -15 -12.449 -38.216 30.918 32 H LYS -14 H LYS -14 -9.219 -34.925 33.550 33 HA LYS -14 HA LYS -14 -10.805 -32.622 34.317 34 1HB LYS -14 1HB LYS -14 -9.414 -34.485 35.770 35 2HB LYS -14 2HB LYS -14 -8.290 -33.133 35.767 36 1HG LYS -14 1HG LYS -14 -11.173 -32.882 36.583 37 2HG LYS -14 2HG LYS -14 -9.863 -33.229 37.713 38 1HD LYS -14 1HD LYS -14 -9.876 -30.830 35.894 39 2HD LYS -14 2HD LYS -14 -10.545 -30.805 37.526 40 1HE LYS -14 1HE LYS -14 -8.501 -30.906 38.515 41 2HE LYS -14 2HE LYS -14 -7.800 -31.869 37.215 42 1HZ LYS -14 1HZ LYS -14 -8.511 -29.030 36.808 43 2HZ LYS -14 2HZ LYS -14 -7.438 -29.988 35.918 44 3HZ LYS -14 3HZ LYS -14 -7.020 -29.474 37.474 45 H GLU -13 H GLU -13 -7.739 -33.394 32.862 46 HA GLU -13 HA GLU -13 -6.732 -30.720 32.977 47 1HB GLU -13 1HB GLU -13 -5.278 -32.771 32.960 48 2HB GLU -13 2HB GLU -13 -5.735 -33.001 31.277 49 1HG GLU -13 1HG GLU -13 -4.561 -31.139 30.566 50 2HG GLU -13 2HG GLU -13 -4.537 -30.416 32.173 51 H LEU -12 H LEU -12 -8.395 -32.761 30.693 52 HA LEU -12 HA LEU -12 -8.158 -30.869 28.530 53 1HB LEU -12 1HB LEU -12 -8.350 -33.421 28.345 54 2HB LEU -12 2HB LEU -12 -10.064 -33.188 28.629 55 HG LEU -12 HG LEU -12 -8.785 -31.625 26.439 56 1HD1 LEU -12 1HD1 LEU -12 -9.530 -33.730 25.019 57 2HD1 LEU -12 2HD1 LEU -12 -9.090 -34.575 26.503 58 3HD1 LEU -12 3HD1 LEU -12 -7.899 -33.575 25.672 59 1HD2 LEU -12 1HD2 LEU -12 -11.319 -31.808 27.373 60 2HD2 LEU -12 2HD2 LEU -12 -11.348 -33.021 26.092 61 3HD2 LEU -12 3HD2 LEU -12 -10.899 -31.356 25.721 62 H ASN -11 H ASN -11 -10.325 -31.391 31.151 63 HA ASN -11 HA ASN -11 -12.498 -29.968 29.899 64 1HB ASN -11 1HB ASN -11 -12.139 -31.331 32.539 65 2HB ASN -11 2HB ASN -11 -13.475 -30.209 32.302 66 1HD2 ASN -11 1HD2 ASN -11 -15.181 -31.527 32.244 67 2HD2 ASN -11 2HD2 ASN -11 -15.391 -32.828 31.127 68 H VAL -10 H VAL -10 -9.907 -29.350 32.105 69 HA VAL -10 HA VAL -10 -10.917 -26.943 33.217 70 HB VAL -10 HB VAL -10 -9.093 -28.246 34.261 71 1HG1 VAL -10 1HG1 VAL -10 -7.271 -28.844 33.148 72 2HG1 VAL -10 2HG1 VAL -10 -6.880 -27.159 32.808 73 3HG1 VAL -10 3HG1 VAL -10 -7.923 -28.062 31.710 74 1HG2 VAL -10 1HG2 VAL -10 -9.075 -25.361 33.801 75 2HG2 VAL -10 2HG2 VAL -10 -7.520 -26.009 34.324 76 3HG2 VAL -10 3HG2 VAL -10 -8.961 -26.272 35.306 77 H LYS -9 H LYS -9 -9.229 -27.703 30.268 78 HA LYS -9 HA LYS -9 -8.364 -25.072 29.662 79 1HB LYS -9 1HB LYS -9 -8.027 -27.618 28.557 80 2HB LYS -9 2HB LYS -9 -8.858 -26.695 27.313 81 1HG LYS -9 1HG LYS -9 -6.957 -24.924 28.051 82 2HG LYS -9 2HG LYS -9 -6.118 -26.451 28.340 83 1HD LYS -9 1HD LYS -9 -5.599 -26.016 26.126 84 2HD LYS -9 2HD LYS -9 -6.996 -27.083 25.979 85 1HE LYS -9 1HE LYS -9 -7.811 -25.493 24.625 86 2HE LYS -9 2HE LYS -9 -8.187 -24.638 26.120 87 1HZ LYS -9 1HZ LYS -9 -5.803 -23.731 25.864 88 2HZ LYS -9 2HZ LYS -9 -7.034 -23.072 24.909 89 3HZ LYS -9 3HZ LYS -9 -5.960 -24.196 24.245 90 H GLU -8 H GLU -8 -11.185 -26.993 28.698 91 HA GLU -8 HA GLU -8 -12.331 -25.157 26.944 92 1HB GLU -8 1HB GLU -8 -13.301 -27.477 28.506 93 2HB GLU -8 2HB GLU -8 -14.526 -26.359 27.920 94 1HG GLU -8 1HG GLU -8 -13.321 -26.632 25.642 95 2HG GLU -8 2HG GLU -8 -12.653 -28.090 26.373 96 H MET -7 H MET -7 -13.110 -25.705 30.337 97 HA MET -7 HA MET -7 -14.904 -23.580 30.632 98 1HB MET -7 1HB MET -7 -14.507 -23.814 33.056 99 2HB MET -7 2HB MET -7 -14.774 -25.364 32.271 100 1HG MET -7 1HG MET -7 -12.690 -26.100 32.706 101 2HG MET -7 2HG MET -7 -11.967 -24.505 32.508 102 1HE MET -7 1HE MET -7 -11.357 -23.068 33.964 103 2HE MET -7 2HE MET -7 -10.496 -24.074 35.129 104 3HE MET -7 3HE MET -7 -11.711 -22.923 35.686 105 H LYS -6 H LYS -6 -11.416 -23.689 30.745 106 HA LYS -6 HA LYS -6 -10.828 -21.319 32.053 107 1HB LYS -6 1HB LYS -6 -9.172 -23.027 31.281 108 2HB LYS -6 2HB LYS -6 -9.361 -22.408 29.647 109 1HG LYS -6 1HG LYS -6 -8.343 -20.374 30.170 110 2HG LYS -6 2HG LYS -6 -8.544 -20.620 31.906 111 1HD LYS -6 1HD LYS -6 -6.939 -22.635 30.447 112 2HD LYS -6 2HD LYS -6 -6.225 -21.032 30.637 113 1HE LYS -6 1HE LYS -6 -6.772 -21.221 33.097 114 2HE LYS -6 2HE LYS -6 -7.155 -22.916 32.794 115 1HZ LYS -6 1HZ LYS -6 -4.621 -21.687 33.139 116 2HZ LYS -6 2HZ LYS -6 -4.683 -22.486 31.649 117 3HZ LYS -6 3HZ LYS -6 -5.011 -23.333 33.076 118 H GLN -5 H GLN -5 -11.021 -21.716 28.502 119 HA GLN -5 HA GLN -5 -11.260 -18.862 28.169 120 1HB GLN -5 1HB GLN -5 -11.034 -21.213 26.358 121 2HB GLN -5 2HB GLN -5 -11.575 -19.673 25.709 122 1HG GLN -5 1HG GLN -5 -9.489 -18.950 25.575 123 2HG GLN -5 2HG GLN -5 -9.244 -19.242 27.296 124 1HE2 GLN -5 1HE2 GLN -5 -8.772 -21.531 27.885 125 2HE2 GLN -5 2HE2 GLN -5 -7.739 -22.428 26.830 126 H LEU -4 H LEU -4 -13.414 -20.702 29.362 127 HA LEU -4 HA LEU -4 -15.634 -20.249 27.558 128 1HB LEU -4 1HB LEU -4 -15.154 -22.302 29.180 129 2HB LEU -4 2HB LEU -4 -16.047 -21.295 30.304 130 HG LEU -4 HG LEU -4 -17.269 -21.740 27.635 131 1HD1 LEU -4 1HD1 LEU -4 -16.328 -23.960 28.401 132 2HD1 LEU -4 2HD1 LEU -4 -18.068 -23.905 28.115 133 3HD1 LEU -4 3HD1 LEU -4 -17.443 -23.855 29.764 134 1HD2 LEU -4 1HD2 LEU -4 -18.266 -21.553 30.472 135 2HD2 LEU -4 2HD2 LEU -4 -19.302 -21.893 29.086 136 3HD2 LEU -4 3HD2 LEU -4 -18.441 -20.357 29.187 137 H HIS -3 H HIS -3 -14.901 -19.540 30.925 138 HA HIS -3 HA HIS -3 -16.892 -17.461 31.013 139 1HB HIS -3 1HB HIS -3 -16.238 -19.144 32.898 140 2HB HIS -3 2HB HIS -3 -14.948 -17.992 33.228 141 HD1 HIS -3 HD1 HIS -3 -18.398 -16.906 32.199 142 HD2 HIS -3 HD2 HIS -3 -16.032 -17.081 35.610 143 HE1 HIS -3 HE1 HIS -3 -19.635 -15.585 33.943 144 HE2 HIS -3 HE2 HIS -3 -18.141 -15.629 35.972 145 H GLY -2 H GLY -2 -13.954 -17.483 29.691 146 1HA GLY -2 1HA GLY -2 -12.514 -15.383 30.828 147 2HA GLY -2 2HA GLY -2 -12.439 -15.853 29.137 148 H GLY -1 H GLY -1 -14.657 -15.172 27.976 149 1HA GLY -1 1HA GLY -1 -16.196 -13.467 27.514 150 2HA GLY -1 2HA GLY -1 -15.555 -12.550 28.868 151 H VAL 1 H VAL 1 -15.719 -10.765 27.287 152 HA VAL 1 HA VAL 1 -13.476 -10.743 25.382 153 HB VAL 1 HB VAL 1 -14.657 -8.701 24.439 154 1HG1 VAL 1 1HG1 VAL 1 -16.175 -10.021 23.105 155 2HG1 VAL 1 2HG1 VAL 1 -16.166 -11.308 24.310 156 3HG1 VAL 1 3HG1 VAL 1 -14.701 -10.942 23.401 157 1HG2 VAL 1 1HG2 VAL 1 -16.673 -8.017 25.185 158 2HG2 VAL 1 2HG2 VAL 1 -16.156 -8.795 26.681 159 3HG2 VAL 1 3HG2 VAL 1 -17.210 -9.656 25.558 160 H ASN 2 H ASN 2 -11.835 -9.337 25.614 161 HA ASN 2 HA ASN 2 -12.098 -6.994 27.297 162 1HB ASN 2 1HB ASN 2 -10.687 -9.439 28.159 163 2HB ASN 2 2HB ASN 2 -9.778 -7.945 28.361 164 1HD2 ASN 2 1HD2 ASN 2 -10.053 -6.951 30.212 165 2HD2 ASN 2 2HD2 ASN 2 -11.436 -7.069 31.241 166 H TYR 3 H TYR 3 -11.800 -6.511 24.853 167 HA TYR 3 HA TYR 3 -10.529 -5.586 23.211 168 1HB TYR 3 1HB TYR 3 -9.008 -5.088 25.701 169 2HB TYR 3 2HB TYR 3 -8.102 -4.908 24.204 170 HD1 TYR 3 HD1 TYR 3 -9.582 -3.015 26.528 171 HD2 TYR 3 HD2 TYR 3 -9.900 -3.709 22.343 172 HE1 TYR 3 HE1 TYR 3 -10.532 -0.766 26.233 173 HE2 TYR 3 HE2 TYR 3 -10.851 -1.462 22.036 174 HH TYR 3 HH TYR 3 -10.925 0.674 23.149 175 H GLY 4 H GLY 4 -10.532 -8.384 23.335 176 1HA GLY 4 1HA GLY 4 -9.358 -9.767 21.747 177 2HA GLY 4 2HA GLY 4 -7.873 -8.941 22.194 178 H ASN 5 H ASN 5 -8.653 -9.133 25.088 179 HA ASN 5 HA ASN 5 -8.304 -10.497 26.867 180 1HB ASN 5 1HB ASN 5 -10.167 -11.719 25.524 181 2HB ASN 5 2HB ASN 5 -8.894 -12.884 25.175 182 1HD2 ASN 5 1HD2 ASN 5 -10.121 -14.440 26.335 183 2HD2 ASN 5 2HD2 ASN 5 -10.102 -14.468 28.062 184 H GLY 6 H GLY 6 -6.325 -10.376 24.330 185 1HA GLY 6 1HA GLY 6 -4.395 -12.220 25.580 186 2HA GLY 6 2HA GLY 6 -4.585 -12.163 23.833 187 H VAL 7 H VAL 7 -4.119 -9.855 26.507 188 HA VAL 7 HA VAL 7 -2.970 -7.882 26.585 189 HB VAL 7 HB VAL 7 -1.314 -9.916 26.835 190 1HG1 VAL 7 1HG1 VAL 7 0.286 -8.538 24.771 191 2HG1 VAL 7 2HG1 VAL 7 -0.948 -9.665 24.211 192 3HG1 VAL 7 3HG1 VAL 7 0.321 -10.219 25.301 193 1HG2 VAL 7 1HG2 VAL 7 -1.217 -7.207 27.370 194 2HG2 VAL 7 2HG2 VAL 7 0.321 -7.548 26.576 195 3HG2 VAL 7 3HG2 VAL 7 -0.145 -8.447 28.019 196 H SER 8 H SER 8 -0.815 -6.939 25.063 197 HA SER 8 HA SER 8 -2.192 -6.222 22.567 198 1HB SER 8 1HB SER 8 -1.090 -4.616 24.591 199 2HB SER 8 2HB SER 8 0.019 -4.482 23.229 200 HG SER 8 HG SER 8 -2.715 -3.821 23.367 201 H CYS 9 H CYS 9 0.096 -5.014 21.374 202 HA CYS 9 HA CYS 9 1.473 -5.665 19.690 203 1HB CYS 9 1HB CYS 9 3.566 -6.811 20.869 204 2HB CYS 9 2HB CYS 9 3.187 -5.105 20.992 205 H SER 10 H SER 10 0.979 -7.064 18.231 206 HA SER 10 HA SER 10 1.403 -9.920 18.790 207 1HB SER 10 1HB SER 10 -0.773 -8.938 16.944 208 2HB SER 10 2HB SER 10 -0.536 -10.564 17.585 209 HG SER 10 HG SER 10 -2.202 -9.419 18.677 210 H LYS 11 H LYS 11 3.113 -10.480 17.631 211 HA LYS 11 HA LYS 11 4.572 -10.743 15.909 212 1HB LYS 11 1HB LYS 11 2.251 -11.251 14.846 213 2HB LYS 11 2HB LYS 11 2.511 -9.727 14.010 214 1HG LYS 11 1HG LYS 11 4.784 -11.576 13.908 215 2HG LYS 11 2HG LYS 11 3.323 -12.153 13.103 216 1HD LYS 11 1HD LYS 11 3.981 -9.352 12.542 217 2HD LYS 11 2HD LYS 11 5.191 -10.507 11.979 218 1HE LYS 11 1HE LYS 11 2.668 -11.573 11.309 219 2HE LYS 11 2HE LYS 11 2.636 -9.870 10.858 220 1HZ LYS 11 1HZ LYS 11 3.601 -10.659 9.002 221 2HZ LYS 11 2HZ LYS 11 4.201 -12.052 9.753 222 3HZ LYS 11 3HZ LYS 11 5.019 -10.582 9.923 223 H THR 12 H THR 12 3.650 -7.892 17.000 224 HA THR 12 HA THR 12 5.662 -6.472 15.522 225 HB THR 12 HB THR 12 2.788 -6.065 15.143 226 HG1 THR 12 HG1 THR 12 3.464 -5.694 13.180 227 1HG2 THR 12 1HG2 THR 12 4.520 -3.621 15.432 228 2HG2 THR 12 2HG2 THR 12 3.220 -4.083 16.530 229 3HG2 THR 12 3HG2 THR 12 2.854 -3.670 14.855 230 H LYS 13 H LYS 13 6.024 -4.253 16.499 231 HA LYS 13 HA LYS 13 6.636 -4.394 19.160 232 1HB LYS 13 1HB LYS 13 6.258 -2.180 17.235 233 2HB LYS 13 2HB LYS 13 6.228 -1.731 18.935 234 1HG LYS 13 1HG LYS 13 8.456 -1.475 18.179 235 2HG LYS 13 2HG LYS 13 8.418 -2.917 19.195 236 1HD LYS 13 1HD LYS 13 7.976 -4.105 16.875 237 2HD LYS 13 2HD LYS 13 8.789 -2.668 16.252 238 1HE LYS 13 1HE LYS 13 10.165 -3.807 18.542 239 2HE LYS 13 2HE LYS 13 10.000 -4.964 17.222 240 1HZ LYS 13 1HZ LYS 13 11.971 -3.200 17.371 241 2HZ LYS 13 2HZ LYS 13 10.859 -2.287 16.482 242 3HZ LYS 13 3HZ LYS 13 11.374 -3.789 15.901 243 H CYS 14 H CYS 14 5.747 -2.903 20.926 244 HA CYS 14 HA CYS 14 2.843 -3.345 21.096 245 1HB CYS 14 1HB CYS 14 4.817 -4.134 22.823 246 2HB CYS 14 2HB CYS 14 4.292 -2.626 23.561 247 H SER 15 H SER 15 3.845 -1.114 19.674 248 HA SER 15 HA SER 15 2.422 0.980 21.019 249 1HB SER 15 1HB SER 15 4.978 0.897 21.813 250 2HB SER 15 2HB SER 15 5.191 1.825 20.328 251 HG SER 15 HG SER 15 4.739 3.356 21.779 252 H VAL 16 H VAL 16 2.076 2.841 19.659 253 HA VAL 16 HA VAL 16 1.592 2.210 16.983 254 HB VAL 16 HB VAL 16 0.404 4.005 18.157 255 1HG1 VAL 16 1HG1 VAL 16 1.694 5.310 19.450 256 2HG1 VAL 16 2HG1 VAL 16 1.912 6.262 17.981 257 3HG1 VAL 16 3HG1 VAL 16 3.123 5.066 18.446 258 1HG2 VAL 16 1HG2 VAL 16 1.798 5.322 15.859 259 2HG2 VAL 16 2HG2 VAL 16 0.093 5.367 16.307 260 3HG2 VAL 16 3HG2 VAL 16 0.780 3.907 15.595 261 H ASN 17 H ASN 17 2.570 2.903 15.046 262 HA ASN 17 HA ASN 17 5.391 3.714 15.312 263 1HB ASN 17 1HB ASN 17 5.849 2.332 13.288 264 2HB ASN 17 2HB ASN 17 5.332 1.384 14.677 265 1HD2 ASN 17 1HD2 ASN 17 4.129 -0.239 14.032 266 2HD2 ASN 17 2HD2 ASN 17 2.893 -0.179 12.827 267 H TRP 18 H TRP 18 3.600 5.687 15.074 268 HA TRP 18 HA TRP 18 2.932 6.372 12.406 269 1HB TRP 18 1HB TRP 18 1.830 7.242 14.525 270 2HB TRP 18 2HB TRP 18 3.227 8.298 14.710 271 HD1 TRP 18 HD1 TRP 18 0.927 7.527 11.664 272 HE1 TRP 18 HE1 TRP 18 0.205 9.776 10.641 273 HE3 TRP 18 HE3 TRP 18 3.294 10.691 14.908 274 HZ2 TRP 18 HZ2 TRP 18 0.589 12.528 11.144 275 HZ3 TRP 18 HZ3 TRP 18 3.066 13.116 14.568 276 HH2 TRP 18 HH2 TRP 18 1.741 14.015 12.724 277 H GLY 19 H GLY 19 5.709 6.943 14.444 278 1HA GLY 19 1HA GLY 19 6.907 8.625 12.340 279 2HA GLY 19 2HA GLY 19 7.423 8.592 14.020 280 H GLN 20 H GLN 20 7.676 5.921 14.517 281 HA GLN 20 HA GLN 20 10.199 5.318 13.519 282 1HB GLN 20 1HB GLN 20 8.395 4.161 15.339 283 2HB GLN 20 2HB GLN 20 8.737 2.902 14.160 284 1HG GLN 20 1HG GLN 20 11.226 3.692 14.591 285 2HG GLN 20 2HG GLN 20 10.529 4.204 16.127 286 1HE2 GLN 20 1HE2 GLN 20 10.216 1.400 13.966 287 2HE2 GLN 20 2HE2 GLN 20 10.415 0.211 15.204 288 H ALA 21 H ALA 21 7.140 3.657 12.639 289 HA ALA 21 HA ALA 21 8.321 2.413 10.426 290 1HB ALA 21 1HB ALA 21 5.386 2.850 10.800 291 2HB ALA 21 2HB ALA 21 6.301 1.538 11.544 292 3HB ALA 21 3HB ALA 21 6.166 1.632 9.788 293 H PHE 22 H PHE 22 7.627 5.505 10.837 294 HA PHE 22 HA PHE 22 6.711 6.244 8.243 295 1HB PHE 22 1HB PHE 22 6.722 7.653 10.473 296 2HB PHE 22 2HB PHE 22 8.345 8.097 9.952 297 HD1 PHE 22 HD1 PHE 22 4.798 8.563 9.428 298 HD2 PHE 22 HD2 PHE 22 8.670 9.316 7.828 299 HE1 PHE 22 HE1 PHE 22 3.853 10.302 7.966 300 HE2 PHE 22 HE2 PHE 22 7.731 11.056 6.364 301 HZ PHE 22 HZ PHE 22 5.319 11.552 6.432 302 H GLN 23 H GLN 23 9.757 5.873 9.895 303 HA GLN 23 HA GLN 23 11.377 6.627 7.636 304 1HB GLN 23 1HB GLN 23 11.795 5.804 10.433 305 2HB GLN 23 2HB GLN 23 13.019 5.199 9.323 306 1HG GLN 23 1HG GLN 23 13.968 7.199 9.107 307 2HG GLN 23 2HG GLN 23 12.416 8.011 8.903 308 1HE2 GLN 23 1HE2 GLN 23 14.691 8.924 10.396 309 2HE2 GLN 23 2HE2 GLN 23 14.182 9.093 12.038 310 H GLU 24 H GLU 24 9.797 3.809 8.829 311 HA GLU 24 HA GLU 24 11.368 1.814 7.604 312 1HB GLU 24 1HB GLU 24 8.556 1.886 8.637 313 2HB GLU 24 2HB GLU 24 9.189 0.463 7.823 314 1HG GLU 24 1HG GLU 24 10.947 0.265 9.480 315 2HG GLU 24 2HG GLU 24 10.377 1.727 10.282 316 H ARG 25 H ARG 25 8.842 3.907 6.463 317 HA ARG 25 HA ARG 25 7.887 2.545 4.267 318 1HB ARG 25 1HB ARG 25 7.195 4.651 3.385 319 2HB ARG 25 2HB ARG 25 7.067 4.745 5.135 320 1HG ARG 25 1HG ARG 25 8.116 6.701 4.869 321 2HG ARG 25 2HG ARG 25 9.567 5.706 4.764 322 1HD ARG 25 1HD ARG 25 9.871 6.196 2.602 323 2HD ARG 25 2HD ARG 25 8.167 5.951 2.221 324 HE ARG 25 HE ARG 25 8.727 8.406 3.623 325 1HH1 ARG 25 1HH1 ARG 25 8.483 6.868 0.497 326 2HH1 ARG 25 2HH1 ARG 25 8.185 8.349 -0.347 327 1HH2 ARG 25 1HH2 ARG 25 8.335 10.355 2.513 328 2HH2 ARG 25 2HH2 ARG 25 8.102 10.329 0.797 329 H TYR 26 H TYR 26 10.857 4.318 4.619 330 HA TYR 26 HA TYR 26 11.627 4.360 1.910 331 1HB TYR 26 1HB TYR 26 12.690 5.785 3.603 332 2HB TYR 26 2HB TYR 26 13.356 4.361 4.394 333 HD1 TYR 26 HD1 TYR 26 15.248 3.177 3.441 334 HD2 TYR 26 HD2 TYR 26 13.616 6.595 1.503 335 HE1 TYR 26 HE1 TYR 26 17.254 3.325 2.026 336 HE2 TYR 26 HE2 TYR 26 15.616 6.753 0.082 337 HH TYR 26 HH TYR 26 17.601 4.515 -0.555 338 H THR 27 H THR 27 12.001 2.002 4.476 339 HA THR 27 HA THR 27 13.806 0.290 3.115 340 HB THR 27 HB THR 27 11.822 -0.508 5.248 341 HG1 THR 27 HG1 THR 27 12.973 0.541 6.645 342 1HG2 THR 27 1HG2 THR 27 14.479 -1.611 5.442 343 2HG2 THR 27 2HG2 THR 27 13.709 -2.028 3.912 344 3HG2 THR 27 3HG2 THR 27 12.914 -2.423 5.435 345 H ALA 28 H ALA 28 10.274 0.236 3.520 346 HA ALA 28 HA ALA 28 9.724 -2.116 2.149 347 1HB ALA 28 1HB ALA 28 7.769 0.002 1.669 348 2HB ALA 28 2HB ALA 28 8.226 -0.175 3.363 349 3HB ALA 28 3HB ALA 28 7.582 -1.555 2.474 350 H GLY 29 H GLY 29 10.492 1.075 0.934 351 1HA GLY 29 1HA GLY 29 9.642 0.678 -1.740 352 2HA GLY 29 2HA GLY 29 10.806 1.877 -1.196 353 H ILE 30 H ILE 30 12.945 0.634 -0.384 354 HA ILE 30 HA ILE 30 14.138 -0.364 -2.737 355 HB ILE 30 HB ILE 30 15.100 -0.395 0.126 356 1HG1 ILE 30 1HG1 ILE 30 16.715 1.324 -1.130 357 2HG1 ILE 30 2HG1 ILE 30 15.305 1.484 -2.173 358 1HG2 ILE 30 1HG2 ILE 30 17.324 -0.899 -0.736 359 2HG2 ILE 30 2HG2 ILE 30 16.672 -1.033 -2.368 360 3HG2 ILE 30 3HG2 ILE 30 16.192 -2.193 -1.130 361 1HD1 ILE 30 1HD1 ILE 30 15.552 3.102 -0.217 362 2HD1 ILE 30 2HD1 ILE 30 15.079 1.741 0.800 363 3HD1 ILE 30 3HD1 ILE 30 13.985 2.329 -0.454 364 H ASN 31 H ASN 31 12.655 -1.927 0.017 365 HA ASN 31 HA ASN 31 13.668 -4.494 -0.185 366 1HB ASN 31 1HB ASN 31 11.827 -3.344 1.403 367 2HB ASN 31 2HB ASN 31 10.757 -4.260 0.347 368 1HD2 ASN 31 1HD2 ASN 31 10.299 -5.300 2.458 369 2HD2 ASN 31 2HD2 ASN 31 11.277 -6.647 2.918 370 H SER 32 H SER 32 10.510 -3.504 -1.522 371 HA SER 32 HA SER 32 10.176 -5.757 -3.143 372 1HB SER 32 1HB SER 32 8.917 -3.094 -2.910 373 2HB SER 32 2HB SER 32 8.738 -3.875 -4.481 374 HG SER 32 HG SER 32 7.653 -5.520 -3.558 375 H PHE 33 H PHE 33 11.913 -2.778 -3.676 376 HA PHE 33 HA PHE 33 12.188 -2.999 -6.480 377 1HB PHE 33 1HB PHE 33 12.698 -0.867 -5.859 378 2HB PHE 33 2HB PHE 33 13.379 -1.367 -4.317 379 HD1 PHE 33 HD1 PHE 33 14.148 -1.583 -7.964 380 HD2 PHE 33 HD2 PHE 33 15.628 -1.109 -4.004 381 HE1 PHE 33 HE1 PHE 33 16.415 -1.243 -8.857 382 HE2 PHE 33 HE2 PHE 33 17.900 -0.766 -4.888 383 HZ PHE 33 HZ PHE 33 18.294 -0.833 -7.319 384 H VAL 34 H VAL 34 14.309 -3.943 -3.785 385 HA VAL 34 HA VAL 34 16.468 -4.885 -5.253 386 HB VAL 34 HB VAL 34 15.414 -6.039 -2.662 387 1HG1 VAL 34 1HG1 VAL 34 17.631 -6.776 -4.323 388 2HG1 VAL 34 2HG1 VAL 34 17.081 -7.499 -2.812 389 3HG1 VAL 34 3HG1 VAL 34 18.222 -6.156 -2.781 390 1HG2 VAL 34 1HG2 VAL 34 16.325 -3.456 -3.173 391 2HG2 VAL 34 2HG2 VAL 34 17.697 -4.284 -2.438 392 3HG2 VAL 34 3HG2 VAL 34 16.148 -4.228 -1.597 393 H SER 35 H SER 35 14.160 -7.136 -3.699 394 HA SER 35 HA SER 35 14.805 -9.307 -5.136 395 1HB SER 35 1HB SER 35 12.139 -9.760 -4.773 396 2HB SER 35 2HB SER 35 13.355 -9.998 -3.521 397 HG SER 35 HG SER 35 11.850 -8.674 -2.636 398 H GLY 36 H GLY 36 12.183 -7.093 -5.993 399 1HA GLY 36 1HA GLY 36 11.161 -8.209 -8.227 400 2HA GLY 36 2HA GLY 36 11.584 -6.497 -8.190 401 H VAL 37 H VAL 37 14.297 -6.652 -7.947 402 HA VAL 37 HA VAL 37 15.090 -7.507 -10.583 403 HB VAL 37 HB VAL 37 16.596 -5.870 -8.542 404 1HG1 VAL 37 1HG1 VAL 37 18.336 -6.524 -9.827 405 2HG1 VAL 37 2HG1 VAL 37 17.733 -5.268 -10.910 406 3HG1 VAL 37 3HG1 VAL 37 17.307 -6.955 -11.193 407 1HG2 VAL 37 1HG2 VAL 37 16.094 -4.106 -10.439 408 2HG2 VAL 37 2HG2 VAL 37 14.931 -4.428 -9.153 409 3HG2 VAL 37 3HG2 VAL 37 14.717 -5.167 -10.739 410 H ALA 38 H ALA 38 16.805 -7.492 -7.479 411 HA ALA 38 HA ALA 38 18.320 -9.792 -8.211 412 1HB ALA 38 1HB ALA 38 18.607 -8.789 -5.471 413 2HB ALA 38 2HB ALA 38 18.882 -7.595 -6.745 414 3HB ALA 38 3HB ALA 38 19.827 -9.084 -6.717 415 H SER 39 H SER 39 16.864 -9.087 -5.126 416 HA SER 39 HA SER 39 16.760 -11.700 -4.243 417 1HB SER 39 1HB SER 39 16.779 -9.463 -3.005 418 2HB SER 39 2HB SER 39 15.024 -9.567 -3.112 419 HG SER 39 HG SER 39 16.646 -10.802 -1.402 420 H GLY 40 H GLY 40 14.938 -10.757 -6.721 421 1HA GLY 40 1HA GLY 40 12.604 -12.327 -5.819 422 2HA GLY 40 2HA GLY 40 12.502 -11.014 -6.983 423 H ALA 41 H ALA 41 13.521 -11.323 -9.074 424 HA ALA 41 HA ALA 41 12.972 -13.900 -10.133 425 1HB ALA 41 1HB ALA 41 13.143 -12.936 -12.182 426 2HB ALA 41 2HB ALA 41 14.545 -11.965 -11.731 427 3HB ALA 41 3HB ALA 41 12.930 -11.474 -11.218 428 H GLY 42 H GLY 42 14.487 -15.062 -8.668 429 1HA GLY 42 1HA GLY 42 16.894 -15.702 -10.095 430 2HA GLY 42 2HA GLY 42 17.212 -14.866 -8.583 431 H SER 43 H SER 43 16.436 -15.849 -6.601 432 HA SER 43 HA SER 43 17.075 -18.556 -6.404 433 1HB SER 43 1HB SER 43 15.604 -16.708 -4.535 434 2HB SER 43 2HB SER 43 15.984 -18.376 -4.109 435 HG SER 43 HG SER 43 17.724 -16.211 -4.554 436 H ILE 44 H ILE 44 13.926 -17.414 -5.364 437 HA ILE 44 HA ILE 44 12.672 -19.589 -6.900 438 HB ILE 44 HB ILE 44 12.799 -20.202 -4.520 439 1HG1 ILE 44 1HG1 ILE 44 10.060 -20.083 -4.304 440 2HG1 ILE 44 2HG1 ILE 44 10.305 -19.890 -6.036 441 1HG2 ILE 44 1HG2 ILE 44 11.947 -18.944 -2.787 442 2HG2 ILE 44 2HG2 ILE 44 10.873 -18.025 -3.842 443 3HG2 ILE 44 3HG2 ILE 44 12.605 -17.696 -3.845 444 1HD1 ILE 44 1HD1 ILE 44 10.663 -22.057 -6.257 445 2HD1 ILE 44 2HD1 ILE 44 10.298 -22.259 -4.544 446 3HD1 ILE 44 3HD1 ILE 44 11.963 -22.005 -5.067 447 H GLY 45 H GLY 45 12.717 -17.276 -8.143 448 1HA GLY 45 1HA GLY 45 10.338 -15.726 -7.447 449 2HA GLY 45 2HA GLY 45 11.532 -15.304 -8.664 450 H ARG 46 H ARG 46 9.669 -18.295 -8.218 451 HA ARG 46 HA ARG 46 9.021 -18.372 -11.014 452 1HB ARG 46 1HB ARG 46 8.296 -20.115 -8.666 453 2HB ARG 46 2HB ARG 46 7.638 -20.393 -10.273 454 1HG ARG 46 1HG ARG 46 10.376 -20.158 -10.676 455 2HG ARG 46 2HG ARG 46 10.220 -21.091 -9.187 456 1HD ARG 46 1HD ARG 46 8.889 -22.739 -10.259 457 2HD ARG 46 2HD ARG 46 8.689 -21.737 -11.696 458 HE ARG 46 HE ARG 46 11.425 -22.406 -11.117 459 1HH1 ARG 46 1HH1 ARG 46 8.500 -23.444 -12.711 460 2HH1 ARG 46 2HH1 ARG 46 9.327 -24.469 -13.835 461 1HH2 ARG 46 1HH2 ARG 46 12.515 -23.754 -12.595 462 2HH2 ARG 46 2HH2 ARG 46 11.606 -24.645 -13.770 Start of MODEL 13 1 1H MET -18 1H MET -18 20.436 22.164 9.493 2 2H MET -18 2H MET -18 21.117 23.545 8.733 3 3H MET -18 3H MET -18 20.454 22.278 7.783 4 HA MET -18 HA MET -18 18.870 23.814 9.715 5 1HB MET -18 1HB MET -18 19.901 24.542 7.054 6 2HB MET -18 2HB MET -18 18.166 24.755 7.243 7 1HG MET -18 1HG MET -18 18.733 26.766 8.032 8 2HG MET -18 2HG MET -18 19.062 25.890 9.525 9 1HE MET -18 1HE MET -18 22.178 26.514 10.523 10 2HE MET -18 2HE MET -18 22.459 25.023 9.624 11 3HE MET -18 3HE MET -18 20.917 25.285 10.439 12 H ASN -17 H ASN -17 17.851 21.767 10.131 13 HA ASN -17 HA ASN -17 16.499 20.454 7.918 14 1HB ASN -17 1HB ASN -17 15.689 18.901 9.743 15 2HB ASN -17 2HB ASN -17 17.435 18.963 9.527 16 1HD2 ASN -17 1HD2 ASN -17 17.362 18.039 11.713 17 2HD2 ASN -17 2HD2 ASN -17 17.289 19.122 13.058 18 H SER -16 H SER -16 15.021 22.056 7.284 19 HA SER -16 HA SER -16 13.087 23.041 9.205 20 1HB SER -16 1HB SER -16 12.280 24.447 7.445 21 2HB SER -16 2HB SER -16 14.039 24.446 7.327 22 HG SER -16 HG SER -16 13.432 24.051 5.295 23 H VAL -15 H VAL -15 11.306 21.966 9.714 24 HA VAL -15 HA VAL -15 10.357 19.850 7.937 25 HB VAL -15 HB VAL -15 9.356 20.483 10.710 26 1HG1 VAL -15 1HG1 VAL -15 8.236 18.896 8.832 27 2HG1 VAL -15 2HG1 VAL -15 8.084 18.631 10.569 28 3HG1 VAL -15 3HG1 VAL -15 9.295 17.742 9.644 29 1HG2 VAL -15 1HG2 VAL -15 11.454 19.917 11.335 30 2HG2 VAL -15 2HG2 VAL -15 11.799 19.089 9.817 31 3HG2 VAL -15 3HG2 VAL -15 10.857 18.279 11.069 32 H LYS -14 H LYS -14 9.523 22.984 9.105 33 HA LYS -14 HA LYS -14 6.768 22.815 8.230 34 1HB LYS -14 1HB LYS -14 7.747 24.262 10.179 35 2HB LYS -14 2HB LYS -14 8.176 25.385 8.896 36 1HG LYS -14 1HG LYS -14 5.667 25.116 8.222 37 2HG LYS -14 2HG LYS -14 5.487 24.586 9.896 38 1HD LYS -14 1HD LYS -14 5.083 26.899 9.950 39 2HD LYS -14 2HD LYS -14 6.741 26.717 10.527 40 1HE LYS -14 1HE LYS -14 7.330 27.041 7.995 41 2HE LYS -14 2HE LYS -14 5.737 27.794 7.932 42 1HZ LYS -14 1HZ LYS -14 7.096 29.566 8.409 43 2HZ LYS -14 2HZ LYS -14 8.142 28.663 9.385 44 3HZ LYS -14 3HZ LYS -14 6.616 29.105 9.965 45 H GLU -13 H GLU -13 9.848 24.028 7.118 46 HA GLU -13 HA GLU -13 8.762 25.360 4.832 47 1HB GLU -13 1HB GLU -13 11.147 25.528 6.186 48 2HB GLU -13 2HB GLU -13 11.603 24.651 4.732 49 1HG GLU -13 1HG GLU -13 11.917 26.764 3.987 50 2HG GLU -13 2HG GLU -13 10.213 26.580 3.574 51 H LEU -12 H LEU -12 10.233 22.291 5.584 52 HA LEU -12 HA LEU -12 10.400 21.388 2.880 53 1HB LEU -12 1HB LEU -12 11.839 20.486 4.656 54 2HB LEU -12 2HB LEU -12 10.430 19.817 5.457 55 HG LEU -12 HG LEU -12 10.923 18.988 2.645 56 1HD1 LEU -12 1HD1 LEU -12 13.131 18.947 3.959 57 2HD1 LEU -12 2HD1 LEU -12 12.623 17.476 3.131 58 3HD1 LEU -12 3HD1 LEU -12 12.395 17.630 4.872 59 1HD2 LEU -12 1HD2 LEU -12 9.093 18.305 4.516 60 2HD2 LEU -12 2HD2 LEU -12 10.313 17.059 4.778 61 3HD2 LEU -12 3HD2 LEU -12 9.586 17.261 3.184 62 H ASN -11 H ASN -11 7.939 21.444 5.301 63 HA ASN -11 HA ASN -11 6.310 19.378 4.251 64 1HB ASN -11 1HB ASN -11 6.174 21.295 6.404 65 2HB ASN -11 2HB ASN -11 4.631 21.207 5.563 66 1HD2 ASN -11 1HD2 ASN -11 7.166 19.035 6.768 67 2HD2 ASN -11 2HD2 ASN -11 6.083 17.855 7.414 68 H VAL -10 H VAL -10 6.821 22.674 3.403 69 HA VAL -10 HA VAL -10 4.368 23.067 1.990 70 HB VAL -10 HB VAL -10 6.951 24.579 1.602 71 1HG1 VAL -10 1HG1 VAL -10 5.776 26.116 0.431 72 2HG1 VAL -10 2HG1 VAL -10 4.312 25.884 1.384 73 3HG1 VAL -10 3HG1 VAL -10 4.725 24.737 0.110 74 1HG2 VAL -10 1HG2 VAL -10 5.511 26.171 3.220 75 2HG2 VAL -10 2HG2 VAL -10 6.715 25.024 3.806 76 3HG2 VAL -10 3HG2 VAL -10 5.006 24.592 3.821 77 H LYS -9 H LYS -9 7.701 22.313 1.009 78 HA LYS -9 HA LYS -9 7.326 22.289 -1.747 79 1HB LYS -9 1HB LYS -9 9.270 21.067 0.131 80 2HB LYS -9 2HB LYS -9 9.198 20.373 -1.483 81 1HG LYS -9 1HG LYS -9 10.685 21.958 -1.994 82 2HG LYS -9 2HG LYS -9 9.282 23.026 -2.052 83 1HD LYS -9 1HD LYS -9 10.524 22.592 0.600 84 2HD LYS -9 2HD LYS -9 11.451 23.539 -0.566 85 1HE LYS -9 1HE LYS -9 9.115 24.743 -0.888 86 2HE LYS -9 2HE LYS -9 8.853 24.145 0.750 87 1HZ LYS -9 1HZ LYS -9 9.784 26.256 1.006 88 2HZ LYS -9 2HZ LYS -9 10.938 26.011 -0.205 89 3HZ LYS -9 3HZ LYS -9 11.081 25.202 1.273 90 H GLU -8 H GLU -8 6.707 19.786 0.654 91 HA GLU -8 HA GLU -8 6.302 17.582 -0.939 92 1HB GLU -8 1HB GLU -8 6.248 17.473 1.493 93 2HB GLU -8 2HB GLU -8 4.752 18.395 1.518 94 1HG GLU -8 1HG GLU -8 3.565 16.598 0.454 95 2HG GLU -8 2HG GLU -8 5.060 15.690 0.238 96 H MET -7 H MET -7 3.563 19.385 0.340 97 HA MET -7 HA MET -7 1.775 18.466 -1.639 98 1HB MET -7 1HB MET -7 0.252 20.248 -0.757 99 2HB MET -7 2HB MET -7 0.902 19.184 0.483 100 1HG MET -7 1HG MET -7 1.449 21.026 1.587 101 2HG MET -7 2HG MET -7 2.732 21.235 0.397 102 1HE MET -7 1HE MET -7 2.724 23.541 -1.299 103 2HE MET -7 2HE MET -7 3.129 23.452 0.416 104 3HE MET -7 3HE MET -7 2.107 24.758 -0.182 105 H LYS -6 H LYS -6 4.035 21.115 -1.594 106 HA LYS -6 HA LYS -6 2.890 22.855 -3.448 107 1HB LYS -6 1HB LYS -6 5.003 23.376 -2.319 108 2HB LYS -6 2HB LYS -6 5.801 22.054 -3.159 109 1HG LYS -6 1HG LYS -6 5.092 23.314 -5.306 110 2HG LYS -6 2HG LYS -6 4.893 24.693 -4.222 111 1HD LYS -6 1HD LYS -6 7.114 24.709 -5.204 112 2HD LYS -6 2HD LYS -6 7.217 24.414 -3.468 113 1HE LYS -6 1HE LYS -6 8.303 22.512 -3.827 114 2HE LYS -6 2HE LYS -6 6.974 21.912 -4.819 115 1HZ LYS -6 1HZ LYS -6 8.148 23.552 -6.539 116 2HZ LYS -6 2HZ LYS -6 8.567 21.920 -6.392 117 3HZ LYS -6 3HZ LYS -6 9.500 23.104 -5.624 118 H GLN -5 H GLN -5 4.388 19.768 -3.753 119 HA GLN -5 HA GLN -5 4.565 19.631 -6.574 120 1HB GLN -5 1HB GLN -5 4.269 17.335 -4.624 121 2HB GLN -5 2HB GLN -5 4.964 17.273 -6.238 122 1HG GLN -5 1HG GLN -5 6.578 19.101 -5.133 123 2HG GLN -5 2HG GLN -5 6.146 18.177 -3.695 124 1HE2 GLN -5 1HE2 GLN -5 7.179 16.334 -3.313 125 2HE2 GLN -5 2HE2 GLN -5 8.235 15.530 -4.418 126 H LEU -4 H LEU -4 2.998 16.903 -6.247 127 HA LEU -4 HA LEU -4 0.692 17.646 -7.602 128 1HB LEU -4 1HB LEU -4 1.633 15.368 -7.498 129 2HB LEU -4 2HB LEU -4 1.123 15.255 -5.821 130 HG LEU -4 HG LEU -4 -0.975 15.862 -7.837 131 1HD1 LEU -4 1HD1 LEU -4 0.651 13.397 -7.816 132 2HD1 LEU -4 2HD1 LEU -4 -0.263 14.146 -9.125 133 3HD1 LEU -4 3HD1 LEU -4 -1.099 13.191 -7.901 134 1HD2 LEU -4 1HD2 LEU -4 -2.357 15.144 -6.224 135 2HD2 LEU -4 2HD2 LEU -4 -0.964 15.354 -5.163 136 3HD2 LEU -4 3HD2 LEU -4 -1.336 13.762 -5.826 137 H HIS -3 H HIS -3 1.373 18.149 -4.296 138 HA HIS -3 HA HIS -3 0.115 18.947 -2.578 139 1HB HIS -3 1HB HIS -3 -0.882 20.305 -4.528 140 2HB HIS -3 2HB HIS -3 -2.229 19.174 -4.454 141 HD1 HIS -3 HD1 HIS -3 -3.994 19.623 -2.739 142 HD2 HIS -3 HD2 HIS -3 -0.543 21.845 -2.086 143 HE1 HIS -3 HE1 HIS -3 -4.566 21.224 -0.885 144 HE2 HIS -3 HE2 HIS -3 -2.481 22.598 -0.547 145 H GLY -2 H GLY -2 0.388 16.410 -2.325 146 1HA GLY -2 1HA GLY -2 -2.300 15.421 -1.629 147 2HA GLY -2 2HA GLY -2 -1.168 14.379 -2.477 148 H GLY -1 H GLY -1 -1.878 13.171 -0.380 149 1HA GLY -1 1HA GLY -1 -1.072 12.159 1.521 150 2HA GLY -1 2HA GLY -1 0.410 13.076 1.305 151 H VAL 1 H VAL 1 -2.526 14.866 1.475 152 HA VAL 1 HA VAL 1 -2.857 15.162 4.226 153 HB VAL 1 HB VAL 1 -0.577 16.069 4.224 154 1HG1 VAL 1 1HG1 VAL 1 -1.144 17.099 1.794 155 2HG1 VAL 1 2HG1 VAL 1 0.198 17.634 2.805 156 3HG1 VAL 1 3HG1 VAL 1 -1.318 18.535 2.804 157 1HG2 VAL 1 1HG2 VAL 1 -1.471 18.550 4.930 158 2HG2 VAL 1 2HG2 VAL 1 -1.501 17.127 5.970 159 3HG2 VAL 1 3HG2 VAL 1 -2.940 17.581 5.057 160 H ASN 2 H ASN 2 -4.947 15.677 4.148 161 HA ASN 2 HA ASN 2 -5.789 18.165 2.997 162 1HB ASN 2 1HB ASN 2 -7.561 17.071 1.549 163 2HB ASN 2 2HB ASN 2 -5.908 16.955 0.954 164 1HD2 ASN 2 1HD2 ASN 2 -8.667 15.255 2.044 165 2HD2 ASN 2 2HD2 ASN 2 -8.044 13.657 1.837 166 H TYR 3 H TYR 3 -6.316 18.437 5.238 167 HA TYR 3 HA TYR 3 -7.738 18.494 7.011 168 1HB TYR 3 1HB TYR 3 -9.303 18.668 4.770 169 2HB TYR 3 2HB TYR 3 -10.037 17.308 5.612 170 HD1 TYR 3 HD1 TYR 3 -10.035 20.796 5.279 171 HD2 TYR 3 HD2 TYR 3 -10.462 17.730 8.197 172 HE1 TYR 3 HE1 TYR 3 -11.233 22.365 6.745 173 HE2 TYR 3 HE2 TYR 3 -11.663 19.289 9.670 174 HH TYR 3 HH TYR 3 -11.568 22.418 9.503 175 H GLY 4 H GLY 4 -6.494 16.779 8.001 176 1HA GLY 4 1HA GLY 4 -7.575 14.078 7.803 177 2HA GLY 4 2HA GLY 4 -6.140 14.564 8.692 178 H ASN 5 H ASN 5 -9.394 15.937 8.926 179 HA ASN 5 HA ASN 5 -10.866 16.110 10.639 180 1HB ASN 5 1HB ASN 5 -10.450 13.543 10.425 181 2HB ASN 5 2HB ASN 5 -9.639 13.742 11.975 182 1HD2 ASN 5 1HD2 ASN 5 -11.132 12.564 13.122 183 2HD2 ASN 5 2HD2 ASN 5 -12.742 13.119 13.420 184 H GLY 6 H GLY 6 -7.702 16.710 10.999 185 1HA GLY 6 1HA GLY 6 -6.421 17.754 12.588 186 2HA GLY 6 2HA GLY 6 -7.946 18.363 13.213 187 H VAL 7 H VAL 7 -5.522 15.861 13.481 188 HA VAL 7 HA VAL 7 -6.711 14.272 15.446 189 HB VAL 7 HB VAL 7 -4.484 13.979 14.088 190 1HG1 VAL 7 1HG1 VAL 7 -3.122 14.613 16.631 191 2HG1 VAL 7 2HG1 VAL 7 -3.548 15.964 15.581 192 3HG1 VAL 7 3HG1 VAL 7 -2.520 14.666 14.974 193 1HG2 VAL 7 1HG2 VAL 7 -4.479 12.007 15.099 194 2HG2 VAL 7 2HG2 VAL 7 -5.687 12.648 16.212 195 3HG2 VAL 7 3HG2 VAL 7 -3.975 12.727 16.627 196 H SER 8 H SER 8 -4.854 14.253 17.561 197 HA SER 8 HA SER 8 -5.192 16.872 18.834 198 1HB SER 8 1HB SER 8 -6.147 14.220 19.904 199 2HB SER 8 2HB SER 8 -5.831 15.593 20.964 200 HG SER 8 HG SER 8 -7.441 16.725 19.984 201 H CYS 9 H CYS 9 -3.607 17.441 20.273 202 HA CYS 9 HA CYS 9 -1.214 15.775 20.234 203 1HB CYS 9 1HB CYS 9 -1.785 18.633 20.457 204 2HB CYS 9 2HB CYS 9 -0.578 18.088 21.618 205 H SER 10 H SER 10 -0.592 14.574 21.909 206 HA SER 10 HA SER 10 -1.230 15.364 24.622 207 1HB SER 10 1HB SER 10 -2.081 12.941 25.041 208 2HB SER 10 2HB SER 10 -3.191 14.134 24.368 209 HG SER 10 HG SER 10 -2.469 11.812 23.326 210 H LYS 11 H LYS 11 0.688 15.265 25.540 211 HA LYS 11 HA LYS 11 2.709 14.538 26.266 212 1HB LYS 11 1HB LYS 11 1.109 12.569 26.782 213 2HB LYS 11 2HB LYS 11 1.956 11.757 25.473 214 1HG LYS 11 1HG LYS 11 4.087 12.491 26.815 215 2HG LYS 11 2HG LYS 11 2.946 12.562 28.160 216 1HD LYS 11 1HD LYS 11 3.421 10.172 26.380 217 2HD LYS 11 2HD LYS 11 4.052 10.376 28.014 218 1HE LYS 11 1HE LYS 11 1.111 10.520 27.441 219 2HE LYS 11 2HE LYS 11 1.921 8.975 27.697 220 1HZ LYS 11 1HZ LYS 11 0.858 10.260 29.680 221 2HZ LYS 11 2HZ LYS 11 2.314 11.120 29.661 222 3HZ LYS 11 3HZ LYS 11 2.325 9.443 29.883 223 H THR 12 H THR 12 1.925 14.498 23.097 224 HA THR 12 HA THR 12 4.651 14.116 22.311 225 HB THR 12 HB THR 12 3.676 11.864 22.137 226 HG1 THR 12 HG1 THR 12 5.026 11.713 20.553 227 1HG2 THR 12 1HG2 THR 12 1.558 13.303 20.960 228 2HG2 THR 12 2HG2 THR 12 1.650 11.589 21.359 229 3HG2 THR 12 3HG2 THR 12 2.193 12.160 19.781 230 H LYS 13 H LYS 13 4.677 14.350 19.716 231 HA LYS 13 HA LYS 13 3.832 17.005 19.233 232 1HB LYS 13 1HB LYS 13 4.639 16.611 16.926 233 2HB LYS 13 2HB LYS 13 5.810 16.129 18.146 234 1HG LYS 13 1HG LYS 13 4.556 13.790 17.796 235 2HG LYS 13 2HG LYS 13 4.318 14.496 16.197 236 1HD LYS 13 1HD LYS 13 6.713 14.846 15.972 237 2HD LYS 13 2HD LYS 13 6.976 14.219 17.600 238 1HE LYS 13 1HE LYS 13 6.693 12.063 16.962 239 2HE LYS 13 2HE LYS 13 5.486 12.470 15.744 240 1HZ LYS 13 1HZ LYS 13 8.383 13.023 15.431 241 2HZ LYS 13 2HZ LYS 13 7.183 13.150 14.247 242 3HZ LYS 13 3HZ LYS 13 7.626 11.630 14.841 243 H CYS 14 H CYS 14 2.690 17.387 16.949 244 HA CYS 14 HA CYS 14 0.090 16.060 17.192 245 1HB CYS 14 1HB CYS 14 1.002 18.709 16.165 246 2HB CYS 14 2HB CYS 14 -0.464 18.013 15.481 247 H SER 15 H SER 15 1.751 14.331 16.107 248 HA SER 15 HA SER 15 0.779 14.094 13.388 249 1HB SER 15 1HB SER 15 3.049 15.349 13.397 250 2HB SER 15 2HB SER 15 3.743 13.779 13.801 251 HG SER 15 HG SER 15 3.763 13.757 11.646 252 H VAL 16 H VAL 16 1.571 11.945 12.427 253 HA VAL 16 HA VAL 16 1.242 9.902 14.496 254 HB VAL 16 HB VAL 16 1.133 9.560 11.498 255 1HG1 VAL 16 1HG1 VAL 16 1.344 7.417 12.189 256 2HG1 VAL 16 2HG1 VAL 16 -0.386 7.589 12.485 257 3HG1 VAL 16 3HG1 VAL 16 0.758 7.767 13.816 258 1HG2 VAL 16 1HG2 VAL 16 -0.716 10.843 11.708 259 2HG2 VAL 16 2HG2 VAL 16 -0.874 10.524 13.436 260 3HG2 VAL 16 3HG2 VAL 16 -1.429 9.328 12.263 261 H ASN 17 H ASN 17 3.772 11.100 14.413 262 HA ASN 17 HA ASN 17 5.986 10.573 14.397 263 1HB ASN 17 1HB ASN 17 4.682 7.880 14.328 264 2HB ASN 17 2HB ASN 17 6.420 7.985 14.072 265 1HD2 ASN 17 1HD2 ASN 17 6.548 6.730 16.034 266 2HD2 ASN 17 2HD2 ASN 17 6.469 7.531 17.563 267 H TRP 18 H TRP 18 5.768 11.802 12.317 268 HA TRP 18 HA TRP 18 5.829 10.338 9.878 269 1HB TRP 18 1HB TRP 18 5.816 13.156 10.684 270 2HB TRP 18 2HB TRP 18 6.742 12.836 9.220 271 HD1 TRP 18 HD1 TRP 18 3.181 12.152 10.602 272 HE1 TRP 18 HE1 TRP 18 1.543 12.196 8.617 273 HE3 TRP 18 HE3 TRP 18 6.531 12.813 6.798 274 HZ2 TRP 18 HZ2 TRP 18 1.656 12.473 5.810 275 HZ3 TRP 18 HZ3 TRP 18 5.685 12.956 4.492 276 HH2 TRP 18 HH2 TRP 18 3.297 12.789 4.010 277 H GLY 19 H GLY 19 8.067 10.190 12.097 278 1HA GLY 19 1HA GLY 19 10.319 10.498 10.211 279 2HA GLY 19 2HA GLY 19 10.467 10.702 11.952 280 H GLN 20 H GLN 20 9.370 8.602 13.078 281 HA GLN 20 HA GLN 20 11.206 6.530 12.695 282 1HB GLN 20 1HB GLN 20 8.730 6.918 14.266 283 2HB GLN 20 2HB GLN 20 9.158 5.245 13.933 284 1HG GLN 20 1HG GLN 20 11.514 5.989 14.779 285 2HG GLN 20 2HG GLN 20 10.602 7.289 15.546 286 1HE2 GLN 20 1HE2 GLN 20 8.435 6.291 16.527 287 2HE2 GLN 20 2HE2 GLN 20 8.719 4.965 17.597 288 H ALA 21 H ALA 21 7.675 6.236 12.103 289 HA ALA 21 HA ALA 21 8.057 3.984 10.483 290 1HB ALA 21 1HB ALA 21 5.905 4.841 11.716 291 2HB ALA 21 2HB ALA 21 5.810 3.797 10.295 292 3HB ALA 21 3HB ALA 21 5.575 5.539 10.128 293 H PHE 22 H PHE 22 8.882 6.965 9.818 294 HA PHE 22 HA PHE 22 8.137 7.157 7.065 295 1HB PHE 22 1HB PHE 22 8.785 9.134 8.535 296 2HB PHE 22 2HB PHE 22 10.446 8.573 8.411 297 HD1 PHE 22 HD1 PHE 22 11.644 9.977 7.056 298 HD2 PHE 22 HD2 PHE 22 7.687 8.900 5.923 299 HE1 PHE 22 HE1 PHE 22 11.914 11.219 4.950 300 HE2 PHE 22 HE2 PHE 22 7.948 10.140 3.814 301 HZ PHE 22 HZ PHE 22 10.065 11.301 3.325 302 H GLN 23 H GLN 23 10.849 6.114 8.990 303 HA GLN 23 HA GLN 23 12.483 5.304 6.771 304 1HB GLN 23 1HB GLN 23 12.658 5.338 9.711 305 2HB GLN 23 2HB GLN 23 13.430 3.940 8.969 306 1HG GLN 23 1HG GLN 23 15.172 5.147 8.332 307 2HG GLN 23 2HG GLN 23 14.134 6.343 7.557 308 1HE2 GLN 23 1HE2 GLN 23 14.783 5.327 10.899 309 2HE2 GLN 23 2HE2 GLN 23 15.076 6.917 11.506 310 H GLU 24 H GLU 24 9.875 4.010 8.596 311 HA GLU 24 HA GLU 24 10.345 1.250 8.247 312 1HB GLU 24 1HB GLU 24 7.932 2.893 8.904 313 2HB GLU 24 2HB GLU 24 7.768 1.176 8.577 314 1HG GLU 24 1HG GLU 24 9.376 0.701 10.378 315 2HG GLU 24 2HG GLU 24 9.456 2.427 10.731 316 H ARG 25 H ARG 25 8.130 3.467 6.563 317 HA ARG 25 HA ARG 25 7.276 1.675 4.604 318 1HB ARG 25 1HB ARG 25 7.369 4.660 4.795 319 2HB ARG 25 2HB ARG 25 6.906 3.905 3.275 320 1HG ARG 25 1HG ARG 25 5.559 3.332 5.902 321 2HG ARG 25 2HG ARG 25 5.005 4.550 4.752 322 1HD ARG 25 1HD ARG 25 5.049 2.603 3.046 323 2HD ARG 25 2HD ARG 25 5.056 1.569 4.475 324 HE ARG 25 HE ARG 25 2.840 3.015 3.419 325 1HH1 ARG 25 1HH1 ARG 25 4.257 1.852 6.390 326 2HH1 ARG 25 2HH1 ARG 25 2.743 1.779 7.229 327 1HH2 ARG 25 1HH2 ARG 25 0.849 2.921 4.522 328 2HH2 ARG 25 2HH2 ARG 25 0.809 2.386 6.169 329 H TYR 26 H TYR 26 10.167 3.556 4.854 330 HA TYR 26 HA TYR 26 10.965 3.477 2.150 331 1HB TYR 26 1HB TYR 26 12.249 4.098 4.745 332 2HB TYR 26 2HB TYR 26 13.333 3.614 3.445 333 HD1 TYR 26 HD1 TYR 26 12.429 6.389 5.018 334 HD2 TYR 26 HD2 TYR 26 12.183 4.801 1.078 335 HE1 TYR 26 HE1 TYR 26 12.347 8.672 4.110 336 HE2 TYR 26 HE2 TYR 26 12.101 7.080 0.159 337 HH TYR 26 HH TYR 26 12.872 9.819 1.959 338 H THR 27 H THR 27 11.781 1.412 4.922 339 HA THR 27 HA THR 27 13.434 -0.361 3.457 340 HB THR 27 HB THR 27 11.943 -0.809 6.052 341 HG1 THR 27 HG1 THR 27 14.551 0.143 5.493 342 1HG2 THR 27 1HG2 THR 27 13.021 -2.741 6.388 343 2HG2 THR 27 2HG2 THR 27 14.491 -2.182 5.592 344 3HG2 THR 27 3HG2 THR 27 13.136 -2.768 4.628 345 H ALA 28 H ALA 28 9.999 -0.333 4.227 346 HA ALA 28 HA ALA 28 9.431 -2.949 3.321 347 1HB ALA 28 1HB ALA 28 8.021 -1.313 4.779 348 2HB ALA 28 2HB ALA 28 7.214 -2.463 3.713 349 3HB ALA 28 3HB ALA 28 7.387 -0.778 3.223 350 H GLY 29 H GLY 29 9.821 0.100 1.696 351 1HA GLY 29 1HA GLY 29 8.552 -0.811 -0.746 352 2HA GLY 29 2HA GLY 29 9.350 0.734 -0.497 353 H ILE 30 H ILE 30 11.868 0.062 0.226 354 HA ILE 30 HA ILE 30 13.110 -0.518 -2.201 355 HB ILE 30 HB ILE 30 14.273 -0.793 0.574 356 1HG1 ILE 30 1HG1 ILE 30 14.457 1.538 -1.341 357 2HG1 ILE 30 2HG1 ILE 30 13.283 1.446 -0.032 358 1HG2 ILE 30 1HG2 ILE 30 15.394 -1.194 -2.090 359 2HG2 ILE 30 2HG2 ILE 30 16.014 -1.681 -0.514 360 3HG2 ILE 30 3HG2 ILE 30 16.308 -0.048 -1.109 361 1HD1 ILE 30 1HD1 ILE 30 14.773 2.160 1.440 362 2HD1 ILE 30 2HD1 ILE 30 15.853 2.483 0.083 363 3HD1 ILE 30 3HD1 ILE 30 15.946 0.943 0.936 364 H ASN 31 H ASN 31 12.128 -2.634 0.418 365 HA ASN 31 HA ASN 31 13.594 -4.908 -0.087 366 1HB ASN 31 1HB ASN 31 11.727 -4.399 1.687 367 2HB ASN 31 2HB ASN 31 10.668 -5.164 0.505 368 1HD2 ASN 31 1HD2 ASN 31 13.871 -5.729 1.935 369 2HD2 ASN 31 2HD2 ASN 31 13.628 -7.413 2.230 370 H SER 32 H SER 32 10.306 -4.346 -1.363 371 HA SER 32 HA SER 32 10.372 -6.459 -3.204 372 1HB SER 32 1HB SER 32 8.667 -4.063 -2.776 373 2HB SER 32 2HB SER 32 8.586 -4.823 -4.366 374 HG SER 32 HG SER 32 8.249 -6.839 -3.144 375 H PHE 33 H PHE 33 11.475 -3.150 -3.407 376 HA PHE 33 HA PHE 33 11.799 -3.027 -6.209 377 1HB PHE 33 1HB PHE 33 12.679 -1.427 -3.877 378 2HB PHE 33 2HB PHE 33 13.640 -1.257 -5.342 379 HD1 PHE 33 HD1 PHE 33 12.116 -1.006 -7.543 380 HD2 PHE 33 HD2 PHE 33 10.974 0.068 -3.586 381 HE1 PHE 33 HE1 PHE 33 10.455 0.563 -8.453 382 HE2 PHE 33 HE2 PHE 33 9.310 1.640 -4.489 383 HZ PHE 33 HZ PHE 33 9.049 1.889 -6.926 384 H VAL 34 H VAL 34 13.924 -4.035 -3.577 385 HA VAL 34 HA VAL 34 16.325 -4.240 -4.956 386 HB VAL 34 HB VAL 34 15.334 -6.085 -2.771 387 1HG1 VAL 34 1HG1 VAL 34 17.637 -6.586 -2.332 388 2HG1 VAL 34 2HG1 VAL 34 18.171 -5.425 -3.546 389 3HG1 VAL 34 3HG1 VAL 34 17.325 -6.890 -4.041 390 1HG2 VAL 34 1HG2 VAL 34 17.193 -4.142 -1.846 391 2HG2 VAL 34 2HG2 VAL 34 15.512 -4.376 -1.368 392 3HG2 VAL 34 3HG2 VAL 34 15.905 -3.308 -2.716 393 H SER 35 H SER 35 14.471 -7.177 -4.121 394 HA SER 35 HA SER 35 15.618 -8.811 -5.910 395 1HB SER 35 1HB SER 35 13.921 -10.367 -5.468 396 2HB SER 35 2HB SER 35 13.843 -9.302 -4.065 397 HG SER 35 HG SER 35 11.902 -8.783 -4.641 398 H GLY 36 H GLY 36 12.592 -7.085 -6.527 399 1HA GLY 36 1HA GLY 36 11.957 -7.865 -9.026 400 2HA GLY 36 2HA GLY 36 11.964 -6.154 -8.598 401 H VAL 37 H VAL 37 14.625 -5.752 -8.158 402 HA VAL 37 HA VAL 37 15.697 -5.796 -10.833 403 HB VAL 37 HB VAL 37 16.724 -4.382 -8.371 404 1HG1 VAL 37 1HG1 VAL 37 18.069 -4.935 -10.715 405 2HG1 VAL 37 2HG1 VAL 37 18.459 -3.648 -9.575 406 3HG1 VAL 37 3HG1 VAL 37 17.450 -3.305 -10.980 407 1HG2 VAL 37 1HG2 VAL 37 15.516 -2.854 -10.587 408 2HG2 VAL 37 2HG2 VAL 37 15.427 -2.595 -8.845 409 3HG2 VAL 37 3HG2 VAL 37 14.402 -3.810 -9.610 410 H ALA 38 H ALA 38 17.219 -6.115 -7.645 411 HA ALA 38 HA ALA 38 19.284 -7.773 -8.691 412 1HB ALA 38 1HB ALA 38 19.146 -7.364 -5.782 413 2HB ALA 38 2HB ALA 38 19.246 -5.900 -6.771 414 3HB ALA 38 3HB ALA 38 20.491 -7.141 -6.908 415 H SER 39 H SER 39 17.543 -8.158 -5.696 416 HA SER 39 HA SER 39 18.050 -10.851 -5.390 417 1HB SER 39 1HB SER 39 17.214 -8.865 -3.828 418 2HB SER 39 2HB SER 39 15.708 -9.771 -4.004 419 HG SER 39 HG SER 39 16.490 -11.248 -2.736 420 H GLY 40 H GLY 40 16.131 -9.759 -7.767 421 1HA GLY 40 1HA GLY 40 14.154 -11.921 -7.458 422 2HA GLY 40 2HA GLY 40 13.955 -10.510 -8.485 423 H ALA 41 H ALA 41 16.116 -10.392 -10.014 424 HA ALA 41 HA ALA 41 17.071 -12.847 -11.017 425 1HB ALA 41 1HB ALA 41 15.776 -12.361 -13.311 426 2HB ALA 41 2HB ALA 41 14.561 -11.808 -12.157 427 3HB ALA 41 3HB ALA 41 15.169 -13.462 -12.072 428 H GLY 42 H GLY 42 16.265 -9.518 -11.732 429 1HA GLY 42 1HA GLY 42 17.429 -7.840 -12.783 430 2HA GLY 42 2HA GLY 42 18.869 -8.683 -12.234 431 H SER 43 H SER 43 16.655 -10.317 -14.343 432 HA SER 43 HA SER 43 18.622 -10.066 -16.512 433 1HB SER 43 1HB SER 43 16.637 -12.289 -15.993 434 2HB SER 43 2HB SER 43 17.783 -12.233 -17.332 435 HG SER 43 HG SER 43 19.232 -12.996 -16.032 436 H ILE 44 H ILE 44 15.268 -9.802 -15.668 437 HA ILE 44 HA ILE 44 14.709 -8.117 -17.883 438 HB ILE 44 HB ILE 44 14.676 -10.342 -19.000 439 1HG1 ILE 44 1HG1 ILE 44 12.058 -9.942 -19.667 440 2HG1 ILE 44 2HG1 ILE 44 12.469 -8.392 -18.939 441 1HG2 ILE 44 1HG2 ILE 44 13.142 -11.060 -16.728 442 2HG2 ILE 44 2HG2 ILE 44 13.677 -12.082 -18.061 443 3HG2 ILE 44 3HG2 ILE 44 12.123 -11.254 -18.154 444 1HD1 ILE 44 1HD1 ILE 44 14.181 -9.631 -21.059 445 2HD1 ILE 44 2HD1 ILE 44 14.106 -7.948 -20.539 446 3HD1 ILE 44 3HD1 ILE 44 12.771 -8.648 -21.453 447 H GLY 45 H GLY 45 14.433 -7.756 -15.166 448 1HA GLY 45 1HA GLY 45 11.812 -8.327 -14.216 449 2HA GLY 45 2HA GLY 45 12.933 -7.164 -13.524 450 H ARG 46 H ARG 46 11.995 -5.244 -13.378 451 HA ARG 46 HA ARG 46 10.410 -4.292 -15.673 452 1HB ARG 46 1HB ARG 46 9.888 -3.961 -12.722 453 2HB ARG 46 2HB ARG 46 9.144 -2.920 -13.928 454 1HG ARG 46 1HG ARG 46 8.869 -5.917 -13.829 455 2HG ARG 46 2HG ARG 46 7.683 -4.764 -13.214 456 1HD ARG 46 1HD ARG 46 8.210 -3.924 -15.816 457 2HD ARG 46 2HD ARG 46 8.139 -5.683 -15.918 458 HE ARG 46 HE ARG 46 5.890 -5.584 -15.508 459 1HH1 ARG 46 1HH1 ARG 46 7.325 -2.512 -14.682 460 2HH1 ARG 46 2HH1 ARG 46 5.801 -1.727 -14.430 461 1HH2 ARG 46 1HH2 ARG 46 3.886 -4.553 -15.177 462 2HH2 ARG 46 2HH2 ARG 46 3.849 -2.887 -14.707 Start of MODEL 14 1 1H MET -18 1H MET -18 -19.254 53.955 39.107 2 2H MET -18 2H MET -18 -17.949 52.887 38.788 3 3H MET -18 3H MET -18 -17.899 53.924 40.155 4 HA MET -18 HA MET -18 -19.599 52.780 41.218 5 1HB MET -18 1HB MET -18 -19.904 51.490 38.515 6 2HB MET -18 2HB MET -18 -20.549 50.729 39.963 7 1HG MET -18 1HG MET -18 -21.234 53.548 39.209 8 2HG MET -18 2HG MET -18 -22.127 52.163 38.584 9 1HE MET -18 1HE MET -18 -24.895 52.320 41.018 10 2HE MET -18 2HE MET -18 -24.249 51.529 39.581 11 3HE MET -18 3HE MET -18 -24.375 53.288 39.639 12 H ASN -17 H ASN -17 -17.737 52.307 42.437 13 HA ASN -17 HA ASN -17 -16.078 50.057 41.646 14 1HB ASN -17 1HB ASN -17 -15.232 52.212 42.767 15 2HB ASN -17 2HB ASN -17 -15.895 51.548 44.257 16 1HD2 ASN -17 1HD2 ASN -17 -13.107 52.061 43.020 17 2HD2 ASN -17 2HD2 ASN -17 -12.248 50.610 43.398 18 H SER -16 H SER -16 -17.664 48.396 41.748 19 HA SER -16 HA SER -16 -18.989 47.822 44.240 20 1HB SER -16 1HB SER -16 -19.550 47.216 41.638 21 2HB SER -16 2HB SER -16 -18.883 45.687 42.210 22 HG SER -16 HG SER -16 -20.405 45.902 44.000 23 H VAL -15 H VAL -15 -18.074 46.818 45.899 24 HA VAL -15 HA VAL -15 -15.638 45.265 45.457 25 HB VAL -15 HB VAL -15 -16.875 46.016 48.105 26 1HG1 VAL -15 1HG1 VAL -15 -14.412 44.639 47.250 27 2HG1 VAL -15 2HG1 VAL -15 -15.353 44.471 48.732 28 3HG1 VAL -15 3HG1 VAL -15 -14.230 45.818 48.548 29 1HG2 VAL -15 1HG2 VAL -15 -14.763 47.667 47.901 30 2HG2 VAL -15 2HG2 VAL -15 -16.403 48.125 47.440 31 3HG2 VAL -15 3HG2 VAL -15 -15.257 47.595 46.209 32 H LYS -14 H LYS -14 -18.966 44.895 46.249 33 HA LYS -14 HA LYS -14 -18.671 42.212 47.286 34 1HB LYS -14 1HB LYS -14 -20.504 43.669 48.081 35 2HB LYS -14 2HB LYS -14 -21.157 43.730 46.449 36 1HG LYS -14 1HG LYS -14 -22.026 41.637 46.567 37 2HG LYS -14 2HG LYS -14 -20.761 41.053 47.651 38 1HD LYS -14 1HD LYS -14 -22.793 43.058 48.572 39 2HD LYS -14 2HD LYS -14 -23.147 41.330 48.584 40 1HE LYS -14 1HE LYS -14 -20.748 41.308 49.788 41 2HE LYS -14 2HE LYS -14 -21.305 42.909 50.273 42 1HZ LYS -14 1HZ LYS -14 -21.892 40.703 51.612 43 2HZ LYS -14 2HZ LYS -14 -23.218 40.738 50.564 44 3HZ LYS -14 3HZ LYS -14 -22.910 42.053 51.581 45 H GLU -13 H GLU -13 -19.380 43.829 44.283 46 HA GLU -13 HA GLU -13 -20.172 41.470 42.887 47 1HB GLU -13 1HB GLU -13 -20.313 44.220 42.404 48 2HB GLU -13 2HB GLU -13 -19.224 43.600 41.171 49 1HG GLU -13 1HG GLU -13 -20.851 42.440 40.115 50 2HG GLU -13 2HG GLU -13 -21.726 42.093 41.606 51 H LEU -12 H LEU -12 -17.266 43.398 43.215 52 HA LEU -12 HA LEU -12 -15.723 41.903 41.348 53 1HB LEU -12 1HB LEU -12 -15.254 44.072 43.267 54 2HB LEU -12 2HB LEU -12 -13.876 43.015 43.032 55 HG LEU -12 HG LEU -12 -15.220 44.021 40.586 56 1HD1 LEU -12 1HD1 LEU -12 -13.654 46.069 40.811 57 2HD1 LEU -12 2HD1 LEU -12 -13.758 45.748 42.542 58 3HD1 LEU -12 3HD1 LEU -12 -15.221 46.092 41.619 59 1HD2 LEU -12 1HD2 LEU -12 -13.361 42.584 40.280 60 2HD2 LEU -12 2HD2 LEU -12 -12.393 43.470 41.457 61 3HD2 LEU -12 3HD2 LEU -12 -12.800 44.214 39.911 62 H ASN -11 H ASN -11 -16.571 41.476 44.667 63 HA ASN -11 HA ASN -11 -14.455 39.756 45.408 64 1HB ASN -11 1HB ASN -11 -16.776 40.843 46.640 65 2HB ASN -11 2HB ASN -11 -16.814 39.099 46.874 66 1HD2 ASN -11 1HD2 ASN -11 -14.730 38.136 47.640 67 2HD2 ASN -11 2HD2 ASN -11 -13.851 39.017 48.839 68 H VAL -10 H VAL -10 -17.526 39.270 43.860 69 HA VAL -10 HA VAL -10 -17.515 36.416 44.055 70 HB VAL -10 HB VAL -10 -19.072 38.110 42.100 71 1HG1 VAL -10 1HG1 VAL -10 -19.304 35.280 43.070 72 2HG1 VAL -10 2HG1 VAL -10 -19.244 35.883 41.414 73 3HG1 VAL -10 3HG1 VAL -10 -20.687 36.140 42.394 74 1HG2 VAL -10 1HG2 VAL -10 -19.298 38.703 44.584 75 2HG2 VAL -10 2HG2 VAL -10 -20.099 37.141 44.748 76 3HG2 VAL -10 3HG2 VAL -10 -20.776 38.371 43.681 77 H LYS -9 H LYS -9 -16.278 38.763 41.791 78 HA LYS -9 HA LYS -9 -15.970 37.196 39.515 79 1HB LYS -9 1HB LYS -9 -14.523 39.572 40.611 80 2HB LYS -9 2HB LYS -9 -13.864 38.746 39.206 81 1HG LYS -9 1HG LYS -9 -16.691 39.758 39.341 82 2HG LYS -9 2HG LYS -9 -15.342 40.713 38.720 83 1HD LYS -9 1HD LYS -9 -14.949 39.153 36.960 84 2HD LYS -9 2HD LYS -9 -16.075 37.988 37.662 85 1HE LYS -9 1HE LYS -9 -17.940 39.241 37.054 86 2HE LYS -9 2HE LYS -9 -17.002 40.721 36.860 87 1HZ LYS -9 1HZ LYS -9 -17.806 39.341 34.801 88 2HZ LYS -9 2HZ LYS -9 -16.395 38.458 35.102 89 3HZ LYS -9 3HZ LYS -9 -16.302 40.118 34.794 90 H GLU -8 H GLU -8 -14.162 37.205 42.490 91 HA GLU -8 HA GLU -8 -11.803 35.985 41.653 92 1HB GLU -8 1HB GLU -8 -12.906 36.760 44.083 93 2HB GLU -8 2HB GLU -8 -12.677 35.025 44.249 94 1HG GLU -8 1HG GLU -8 -10.477 35.235 44.452 95 2HG GLU -8 2HG GLU -8 -10.371 36.318 43.066 96 H MET -7 H MET -7 -14.304 34.284 43.451 97 HA MET -7 HA MET -7 -13.522 31.711 42.781 98 1HB MET -7 1HB MET -7 -15.846 31.041 43.405 99 2HB MET -7 2HB MET -7 -15.056 32.070 44.591 100 1HG MET -7 1HG MET -7 -17.120 33.031 44.506 101 2HG MET -7 2HG MET -7 -16.270 33.988 43.294 102 1HE MET -7 1HE MET -7 -19.774 32.914 43.686 103 2HE MET -7 2HE MET -7 -18.852 31.508 44.217 104 3HE MET -7 3HE MET -7 -19.902 31.392 42.804 105 H LYS -6 H LYS -6 -15.528 33.973 41.022 106 HA LYS -6 HA LYS -6 -16.795 32.297 39.217 107 1HB LYS -6 1HB LYS -6 -16.755 34.957 39.564 108 2HB LYS -6 2HB LYS -6 -15.707 34.850 38.156 109 1HG LYS -6 1HG LYS -6 -17.743 35.112 37.157 110 2HG LYS -6 2HG LYS -6 -17.635 33.352 37.213 111 1HD LYS -6 1HD LYS -6 -19.037 33.265 39.156 112 2HD LYS -6 2HD LYS -6 -19.006 35.022 39.314 113 1HE LYS -6 1HE LYS -6 -20.933 34.975 38.176 114 2HE LYS -6 2HE LYS -6 -19.925 34.687 36.759 115 1HZ LYS -6 1HZ LYS -6 -21.701 33.072 36.895 116 2HZ LYS -6 2HZ LYS -6 -21.201 32.597 38.438 117 3HZ LYS -6 3HZ LYS -6 -20.208 32.303 37.102 118 H GLN -5 H GLN -5 -13.770 34.091 38.567 119 HA GLN -5 HA GLN -5 -13.161 32.332 36.367 120 1HB GLN -5 1HB GLN -5 -11.952 34.789 37.534 121 2HB GLN -5 2HB GLN -5 -11.016 33.808 36.419 122 1HG GLN -5 1HG GLN -5 -11.948 34.982 34.784 123 2HG GLN -5 2HG GLN -5 -13.441 34.114 35.137 124 1HE2 GLN -5 1HE2 GLN -5 -15.147 35.226 35.844 125 2HE2 GLN -5 2HE2 GLN -5 -15.135 36.898 36.278 126 H LEU -4 H LEU -4 -13.079 31.558 39.337 127 HA LEU -4 HA LEU -4 -10.313 30.767 39.668 128 1HB LEU -4 1HB LEU -4 -12.028 31.567 41.502 129 2HB LEU -4 2HB LEU -4 -12.479 29.873 41.506 130 HG LEU -4 HG LEU -4 -9.961 29.419 41.869 131 1HD1 LEU -4 1HD1 LEU -4 -9.662 32.047 41.454 132 2HD1 LEU -4 2HD1 LEU -4 -8.564 31.095 42.454 133 3HD1 LEU -4 3HD1 LEU -4 -9.843 32.047 43.208 134 1HD2 LEU -4 1HD2 LEU -4 -10.306 29.311 44.159 135 2HD2 LEU -4 2HD2 LEU -4 -11.949 29.291 43.518 136 3HD2 LEU -4 3HD2 LEU -4 -11.280 30.780 44.183 137 H HIS -3 H HIS -3 -13.426 29.125 39.772 138 HA HIS -3 HA HIS -3 -12.359 26.529 39.496 139 1HB HIS -3 1HB HIS -3 -14.655 27.190 40.399 140 2HB HIS -3 2HB HIS -3 -15.159 27.318 38.716 141 HD1 HIS -3 HD1 HIS -3 -12.850 24.611 38.850 142 HD2 HIS -3 HD2 HIS -3 -16.849 25.092 39.872 143 HE1 HIS -3 HE1 HIS -3 -13.806 22.287 38.936 144 HE2 HIS -3 HE2 HIS -3 -16.247 22.609 39.471 145 H GLY -2 H GLY -2 -13.038 29.001 37.216 146 1HA GLY -2 1HA GLY -2 -12.188 27.213 35.061 147 2HA GLY -2 2HA GLY -2 -13.724 28.044 34.869 148 H GLY -1 H GLY -1 -10.664 28.149 33.884 149 1HA GLY -1 1HA GLY -1 -10.852 30.852 32.987 150 2HA GLY -1 2HA GLY -1 -9.667 30.689 34.275 151 H VAL 1 H VAL 1 -10.388 28.268 31.819 152 HA VAL 1 HA VAL 1 -7.754 28.781 30.608 153 HB VAL 1 HB VAL 1 -8.900 26.025 31.059 154 1HG1 VAL 1 1HG1 VAL 1 -6.517 27.110 29.702 155 2HG1 VAL 1 2HG1 VAL 1 -7.435 25.640 29.385 156 3HG1 VAL 1 3HG1 VAL 1 -6.260 25.678 30.698 157 1HG2 VAL 1 1HG2 VAL 1 -8.350 26.436 33.212 158 2HG2 VAL 1 2HG2 VAL 1 -7.256 27.754 32.797 159 3HG2 VAL 1 3HG2 VAL 1 -6.723 26.081 32.635 160 H ASN 2 H ASN 2 -8.101 29.423 28.589 161 HA ASN 2 HA ASN 2 -10.012 27.910 26.950 162 1HB ASN 2 1HB ASN 2 -10.639 30.385 27.817 163 2HB ASN 2 2HB ASN 2 -9.750 30.803 26.355 164 1HD2 ASN 2 1HD2 ASN 2 -10.411 29.473 24.399 165 2HD2 ASN 2 2HD2 ASN 2 -12.108 29.246 24.170 166 H TYR 3 H TYR 3 -7.329 27.368 26.991 167 HA TYR 3 HA TYR 3 -5.542 27.054 25.621 168 1HB TYR 3 1HB TYR 3 -7.365 28.169 23.479 169 2HB TYR 3 2HB TYR 3 -5.886 27.255 23.207 170 HD1 TYR 3 HD1 TYR 3 -9.406 27.059 23.590 171 HD2 TYR 3 HD2 TYR 3 -5.816 24.856 24.192 172 HE1 TYR 3 HE1 TYR 3 -10.701 24.969 23.619 173 HE2 TYR 3 HE2 TYR 3 -7.102 22.759 24.222 174 HH TYR 3 HH TYR 3 -9.213 21.882 23.476 175 H GLY 4 H GLY 4 -5.376 29.291 27.134 176 1HA GLY 4 1HA GLY 4 -4.952 31.703 25.734 177 2HA GLY 4 2HA GLY 4 -4.307 31.313 27.321 178 H ASN 5 H ASN 5 -2.898 28.930 26.275 179 HA ASN 5 HA ASN 5 -0.549 30.333 25.306 180 1HB ASN 5 1HB ASN 5 -0.397 28.709 27.196 181 2HB ASN 5 2HB ASN 5 -0.822 27.426 26.067 182 1HD2 ASN 5 1HD2 ASN 5 1.631 28.121 27.695 183 2HD2 ASN 5 2HD2 ASN 5 2.928 28.026 26.558 184 H GLY 6 H GLY 6 -1.939 27.200 24.486 185 1HA GLY 6 1HA GLY 6 -2.599 26.412 22.381 186 2HA GLY 6 2HA GLY 6 -1.974 27.888 21.662 187 H VAL 7 H VAL 7 -1.371 24.606 22.356 188 HA VAL 7 HA VAL 7 1.429 24.513 22.266 189 HB VAL 7 HB VAL 7 -0.336 22.367 21.104 190 1HG1 VAL 7 1HG1 VAL 7 1.445 20.940 22.240 191 2HG1 VAL 7 2HG1 VAL 7 2.371 22.432 22.400 192 3HG1 VAL 7 3HG1 VAL 7 1.928 21.836 20.801 193 1HG2 VAL 7 1HG2 VAL 7 -0.132 23.308 23.899 194 2HG2 VAL 7 2HG2 VAL 7 -0.071 21.564 23.648 195 3HG2 VAL 7 3HG2 VAL 7 -1.456 22.490 23.070 196 H SER 8 H SER 8 2.763 23.652 20.480 197 HA SER 8 HA SER 8 1.805 23.932 17.788 198 1HB SER 8 1HB SER 8 2.760 26.253 19.038 199 2HB SER 8 2HB SER 8 4.078 25.713 17.998 200 HG SER 8 HG SER 8 2.521 25.620 16.281 201 H CYS 9 H CYS 9 3.882 23.943 16.270 202 HA CYS 9 HA CYS 9 5.142 21.474 16.617 203 1HB CYS 9 1HB CYS 9 6.407 23.633 14.959 204 2HB CYS 9 2HB CYS 9 6.305 21.907 14.638 205 H SER 10 H SER 10 6.575 20.930 18.105 206 HA SER 10 HA SER 10 8.992 22.426 18.455 207 1HB SER 10 1HB SER 10 7.478 22.088 21.013 208 2HB SER 10 2HB SER 10 8.746 23.244 20.604 209 HG SER 10 HG SER 10 6.091 23.553 20.471 210 H LYS 11 H LYS 11 10.436 20.848 18.430 211 HA LYS 11 HA LYS 11 11.534 18.906 18.861 212 1HB LYS 11 1HB LYS 11 10.765 19.854 21.226 213 2HB LYS 11 2HB LYS 11 9.878 18.336 21.240 214 1HG LYS 11 1HG LYS 11 11.838 17.713 22.256 215 2HG LYS 11 2HG LYS 11 12.191 17.317 20.572 216 1HD LYS 11 1HD LYS 11 13.024 19.869 20.618 217 2HD LYS 11 2HD LYS 11 13.311 19.435 22.304 218 1HE LYS 11 1HE LYS 11 15.270 18.644 21.555 219 2HE LYS 11 2HE LYS 11 14.318 17.267 21.001 220 1HZ LYS 11 1HZ LYS 11 14.535 17.869 18.861 221 2HZ LYS 11 2HZ LYS 11 15.893 18.712 19.414 222 3HZ LYS 11 3HZ LYS 11 14.428 19.526 19.185 223 H THR 12 H THR 12 8.574 18.956 17.765 224 HA THR 12 HA THR 12 8.478 16.107 17.375 225 HB THR 12 HB THR 12 6.668 17.568 19.147 226 HG1 THR 12 HG1 THR 12 6.753 15.716 20.183 227 1HG2 THR 12 1HG2 THR 12 5.079 17.310 17.330 228 2HG2 THR 12 2HG2 THR 12 4.692 16.222 18.662 229 3HG2 THR 12 3HG2 THR 12 5.475 15.596 17.211 230 H LYS 13 H LYS 13 8.356 19.078 16.060 231 HA LYS 13 HA LYS 13 7.615 19.964 14.100 232 1HB LYS 13 1HB LYS 13 8.629 17.480 13.629 233 2HB LYS 13 2HB LYS 13 7.047 17.378 12.877 234 1HG LYS 13 1HG LYS 13 8.587 18.065 11.201 235 2HG LYS 13 2HG LYS 13 7.602 19.468 11.616 236 1HD LYS 13 1HD LYS 13 9.711 19.655 13.374 237 2HD LYS 13 2HD LYS 13 10.475 19.043 11.905 238 1HE LYS 13 1HE LYS 13 10.592 21.304 11.537 239 2HE LYS 13 2HE LYS 13 9.058 20.926 10.756 240 1HZ LYS 13 1HZ LYS 13 9.364 22.861 12.559 241 2HZ LYS 13 2HZ LYS 13 8.899 21.592 13.575 242 3HZ LYS 13 3HZ LYS 13 7.899 22.059 12.293 243 H CYS 14 H CYS 14 5.675 19.238 16.117 244 HA CYS 14 HA CYS 14 3.426 18.938 16.479 245 1HB CYS 14 1HB CYS 14 2.029 20.477 15.061 246 2HB CYS 14 2HB CYS 14 3.398 21.237 15.858 247 H SER 15 H SER 15 4.405 16.748 15.093 248 HA SER 15 HA SER 15 1.999 15.911 13.701 249 1HB SER 15 1HB SER 15 4.720 15.937 12.388 250 2HB SER 15 2HB SER 15 3.382 14.944 11.809 251 HG SER 15 HG SER 15 3.345 17.770 12.090 252 H VAL 16 H VAL 16 2.005 13.562 13.250 253 HA VAL 16 HA VAL 16 2.715 12.094 15.531 254 HB VAL 16 HB VAL 16 0.946 11.655 13.618 255 1HG1 VAL 16 1HG1 VAL 16 3.047 11.146 12.080 256 2HG1 VAL 16 2HG1 VAL 16 1.507 10.313 11.878 257 3HG1 VAL 16 3HG1 VAL 16 2.824 9.531 12.752 258 1HG2 VAL 16 1HG2 VAL 16 1.995 10.156 15.772 259 2HG2 VAL 16 2HG2 VAL 16 1.694 9.034 14.444 260 3HG2 VAL 16 3HG2 VAL 16 0.391 10.058 15.045 261 H ASN 17 H ASN 17 3.785 9.687 14.561 262 HA ASN 17 HA ASN 17 6.577 10.359 14.481 263 1HB ASN 17 1HB ASN 17 4.969 7.892 14.864 264 2HB ASN 17 2HB ASN 17 6.586 7.682 14.202 265 1HD2 ASN 17 1HD2 ASN 17 7.932 7.110 15.735 266 2HD2 ASN 17 2HD2 ASN 17 7.993 7.756 17.336 267 H TRP 18 H TRP 18 5.734 11.457 12.294 268 HA TRP 18 HA TRP 18 5.653 9.761 10.012 269 1HB TRP 18 1HB TRP 18 5.024 12.418 10.548 270 2HB TRP 18 2HB TRP 18 6.376 12.510 9.425 271 HD1 TRP 18 HD1 TRP 18 2.975 10.634 9.630 272 HE1 TRP 18 HE1 TRP 18 1.992 10.528 7.253 273 HE3 TRP 18 HE3 TRP 18 6.781 12.898 7.075 274 HZ2 TRP 18 HZ2 TRP 18 2.732 11.301 4.642 275 HZ3 TRP 18 HZ3 TRP 18 6.565 13.176 4.640 276 HH2 TRP 18 HH2 TRP 18 4.582 12.393 3.450 277 H GLY 19 H GLY 19 8.192 10.252 11.953 278 1HA GLY 19 1HA GLY 19 10.132 10.487 9.746 279 2HA GLY 19 2HA GLY 19 10.477 10.863 11.427 280 H GLN 20 H GLN 20 9.807 8.789 12.872 281 HA GLN 20 HA GLN 20 11.787 6.887 12.434 282 1HB GLN 20 1HB GLN 20 9.475 7.167 14.238 283 2HB GLN 20 2HB GLN 20 9.973 5.506 13.950 284 1HG GLN 20 1HG GLN 20 11.819 7.694 14.872 285 2HG GLN 20 2HG GLN 20 11.012 6.548 15.942 286 1HE2 GLN 20 1HE2 GLN 20 13.890 7.157 14.903 287 2HE2 GLN 20 2HE2 GLN 20 14.524 5.575 14.619 288 H ALA 21 H ALA 21 8.262 6.226 12.156 289 HA ALA 21 HA ALA 21 8.734 3.876 10.707 290 1HB ALA 21 1HB ALA 21 6.481 3.527 10.605 291 2HB ALA 21 2HB ALA 21 6.122 5.248 10.438 292 3HB ALA 21 3HB ALA 21 6.602 4.593 12.006 293 H PHE 22 H PHE 22 9.226 6.868 9.775 294 HA PHE 22 HA PHE 22 8.341 6.804 7.065 295 1HB PHE 22 1HB PHE 22 9.228 8.820 8.631 296 2HB PHE 22 2HB PHE 22 10.722 8.435 7.788 297 HD1 PHE 22 HD1 PHE 22 7.176 8.482 6.642 298 HD2 PHE 22 HD2 PHE 22 11.100 10.076 6.223 299 HE1 PHE 22 HE1 PHE 22 6.427 9.811 4.711 300 HE2 PHE 22 HE2 PHE 22 10.358 11.406 4.292 301 HZ PHE 22 HZ PHE 22 8.019 11.276 3.533 302 H GLN 23 H GLN 23 11.210 6.045 8.889 303 HA GLN 23 HA GLN 23 12.789 5.204 6.649 304 1HB GLN 23 1HB GLN 23 14.018 5.921 8.542 305 2HB GLN 23 2HB GLN 23 13.036 4.972 9.650 306 1HG GLN 23 1HG GLN 23 14.416 3.335 7.680 307 2HG GLN 23 2HG GLN 23 15.515 4.295 8.669 308 1HE2 GLN 23 1HE2 GLN 23 15.199 1.437 8.648 309 2HE2 GLN 23 2HE2 GLN 23 14.716 0.974 10.240 310 H GLU 24 H GLU 24 10.366 3.871 8.701 311 HA GLU 24 HA GLU 24 10.934 1.119 8.245 312 1HB GLU 24 1HB GLU 24 8.502 2.526 9.327 313 2HB GLU 24 2HB GLU 24 8.655 0.777 9.232 314 1HG GLU 24 1HG GLU 24 10.697 0.962 10.661 315 2HG GLU 24 2HG GLU 24 10.317 2.670 10.874 316 H ARG 25 H ARG 25 8.533 3.419 7.020 317 HA ARG 25 HA ARG 25 7.200 1.652 5.303 318 1HB ARG 25 1HB ARG 25 6.106 3.532 4.428 319 2HB ARG 25 2HB ARG 25 6.496 3.990 6.077 320 1HG ARG 25 1HG ARG 25 7.282 5.863 5.168 321 2HG ARG 25 2HG ARG 25 8.680 4.889 4.720 322 1HD ARG 25 1HD ARG 25 7.494 4.351 2.575 323 2HD ARG 25 2HD ARG 25 6.281 5.548 3.027 324 HE ARG 25 HE ARG 25 8.988 6.536 3.045 325 1HH1 ARG 25 1HH1 ARG 25 6.124 6.025 1.116 326 2HH1 ARG 25 2HH1 ARG 25 6.526 7.257 -0.032 327 1HH2 ARG 25 1HH2 ARG 25 9.518 8.157 1.535 328 2HH2 ARG 25 2HH2 ARG 25 8.452 8.469 0.206 329 H TYR 26 H TYR 26 10.074 3.549 4.909 330 HA TYR 26 HA TYR 26 10.348 3.355 2.116 331 1HB TYR 26 1HB TYR 26 11.719 4.633 4.107 332 2HB TYR 26 2HB TYR 26 12.856 3.368 3.656 333 HD1 TYR 26 HD1 TYR 26 10.520 5.593 1.757 334 HD2 TYR 26 HD2 TYR 26 14.494 4.153 2.243 335 HE1 TYR 26 HE1 TYR 26 11.237 6.937 -0.173 336 HE2 TYR 26 HE2 TYR 26 15.222 5.494 0.314 337 HH TYR 26 HH TYR 26 14.244 6.517 -1.691 338 H THR 27 H THR 27 11.161 1.176 4.724 339 HA THR 27 HA THR 27 12.851 -0.549 3.239 340 HB THR 27 HB THR 27 11.192 -1.127 5.702 341 HG1 THR 27 HG1 THR 27 12.668 0.526 6.067 342 1HG2 THR 27 1HG2 THR 27 13.731 -2.537 5.274 343 2HG2 THR 27 2HG2 THR 27 12.399 -3.022 4.225 344 3HG2 THR 27 3HG2 THR 27 12.216 -3.100 5.979 345 H ALA 28 H ALA 28 9.382 -0.583 3.957 346 HA ALA 28 HA ALA 28 8.770 -3.067 2.824 347 1HB ALA 28 1HB ALA 28 6.969 -0.653 2.879 348 2HB ALA 28 2HB ALA 28 7.257 -1.708 4.262 349 3HB ALA 28 3HB ALA 28 6.486 -2.348 2.810 350 H GLY 29 H GLY 29 8.870 0.167 1.366 351 1HA GLY 29 1HA GLY 29 7.966 -0.686 -1.197 352 2HA GLY 29 2HA GLY 29 8.748 0.844 -0.831 353 H ILE 30 H ILE 30 11.209 0.256 -0.052 354 HA ILE 30 HA ILE 30 12.575 -0.333 -2.411 355 HB ILE 30 HB ILE 30 13.638 -0.520 0.411 356 1HG1 ILE 30 1HG1 ILE 30 13.886 1.810 -1.487 357 2HG1 ILE 30 2HG1 ILE 30 12.549 1.673 -0.350 358 1HG2 ILE 30 1HG2 ILE 30 15.385 -1.426 -0.696 359 2HG2 ILE 30 2HG2 ILE 30 15.735 0.260 -1.081 360 3HG2 ILE 30 3HG2 ILE 30 14.888 -0.754 -2.249 361 1HD1 ILE 30 1HD1 ILE 30 15.295 1.406 0.723 362 2HD1 ILE 30 2HD1 ILE 30 13.856 2.121 1.449 363 3HD1 ILE 30 3HD1 ILE 30 14.755 3.007 0.218 364 H ASN 31 H ASN 31 11.354 -2.436 0.063 365 HA ASN 31 HA ASN 31 12.961 -4.670 -0.181 366 1HB ASN 31 1HB ASN 31 11.001 -4.313 1.403 367 2HB ASN 31 2HB ASN 31 9.957 -4.817 0.076 368 1HD2 ASN 31 1HD2 ASN 31 11.661 -5.835 2.725 369 2HD2 ASN 31 2HD2 ASN 31 11.722 -7.527 2.382 370 H SER 32 H SER 32 9.829 -4.312 -1.855 371 HA SER 32 HA SER 32 10.255 -6.418 -3.654 372 1HB SER 32 1HB SER 32 8.474 -5.099 -5.039 373 2HB SER 32 2HB SER 32 8.022 -5.772 -3.474 374 HG SER 32 HG SER 32 7.439 -3.789 -3.073 375 H PHE 33 H PHE 33 11.152 -3.043 -3.771 376 HA PHE 33 HA PHE 33 11.775 -2.883 -6.513 377 1HB PHE 33 1HB PHE 33 12.241 -1.258 -4.109 378 2HB PHE 33 2HB PHE 33 13.480 -1.082 -5.347 379 HD1 PHE 33 HD1 PHE 33 10.327 0.016 -4.234 380 HD2 PHE 33 HD2 PHE 33 12.601 -0.668 -7.766 381 HE1 PHE 33 HE1 PHE 33 8.862 1.557 -5.472 382 HE2 PHE 33 HE2 PHE 33 11.142 0.872 -9.010 383 HZ PHE 33 HZ PHE 33 9.269 1.987 -7.863 384 H VAL 34 H VAL 34 13.785 -3.606 -3.674 385 HA VAL 34 HA VAL 34 16.237 -3.840 -4.991 386 HB VAL 34 HB VAL 34 15.308 -5.365 -2.547 387 1HG1 VAL 34 1HG1 VAL 34 18.049 -4.864 -3.686 388 2HG1 VAL 34 2HG1 VAL 34 17.272 -6.415 -3.372 389 3HG1 VAL 34 3HG1 VAL 34 17.770 -5.391 -2.026 390 1HG2 VAL 34 1HG2 VAL 34 17.092 -3.094 -2.155 391 2HG2 VAL 34 2HG2 VAL 34 15.601 -3.523 -1.316 392 3HG2 VAL 34 3HG2 VAL 34 15.532 -2.640 -2.841 393 H SER 35 H SER 35 14.519 -6.710 -3.726 394 HA SER 35 HA SER 35 15.807 -8.549 -5.206 395 1HB SER 35 1HB SER 35 12.889 -8.977 -4.799 396 2HB SER 35 2HB SER 35 14.227 -10.082 -4.491 397 HG SER 35 HG SER 35 12.989 -8.794 -2.690 398 H GLY 36 H GLY 36 13.184 -6.537 -6.326 399 1HA GLY 36 1HA GLY 36 12.534 -7.941 -8.653 400 2HA GLY 36 2HA GLY 36 12.538 -6.177 -8.532 401 H VAL 37 H VAL 37 15.060 -5.585 -8.017 402 HA VAL 37 HA VAL 37 16.440 -6.185 -10.475 403 HB VAL 37 HB VAL 37 17.100 -4.171 -8.328 404 1HG1 VAL 37 1HG1 VAL 37 18.584 -3.177 -9.957 405 2HG1 VAL 37 2HG1 VAL 37 18.118 -4.373 -11.165 406 3HG1 VAL 37 3HG1 VAL 37 19.018 -4.872 -9.732 407 1HG2 VAL 37 1HG2 VAL 37 16.289 -2.696 -10.426 408 2HG2 VAL 37 2HG2 VAL 37 15.215 -3.213 -9.126 409 3HG2 VAL 37 3HG2 VAL 37 15.263 -4.116 -10.640 410 H ALA 38 H ALA 38 17.357 -5.874 -7.052 411 HA ALA 38 HA ALA 38 19.823 -7.233 -7.431 412 1HB ALA 38 1HB ALA 38 20.449 -6.345 -5.453 413 2HB ALA 38 2HB ALA 38 18.863 -6.592 -4.709 414 3HB ALA 38 3HB ALA 38 19.118 -5.252 -5.835 415 H SER 39 H SER 39 17.507 -7.721 -4.869 416 HA SER 39 HA SER 39 18.461 -10.177 -4.103 417 1HB SER 39 1HB SER 39 16.658 -8.315 -3.194 418 2HB SER 39 2HB SER 39 15.723 -9.814 -3.332 419 HG SER 39 HG SER 39 16.710 -9.728 -1.311 420 H GLY 40 H GLY 40 16.442 -9.563 -6.772 421 1HA GLY 40 1HA GLY 40 15.402 -10.975 -8.251 422 2HA GLY 40 2HA GLY 40 16.428 -12.240 -7.591 423 H ALA 41 H ALA 41 13.659 -10.324 -6.493 424 HA ALA 41 HA ALA 41 11.985 -12.616 -6.241 425 1HB ALA 41 1HB ALA 41 12.259 -11.415 -3.583 426 2HB ALA 41 2HB ALA 41 13.673 -12.314 -4.132 427 3HB ALA 41 3HB ALA 41 12.100 -13.107 -4.055 428 H GLY 42 H GLY 42 11.699 -10.230 -7.623 429 1HA GLY 42 1HA GLY 42 9.662 -8.784 -6.048 430 2HA GLY 42 2HA GLY 42 10.572 -8.082 -7.376 431 H SER 43 H SER 43 10.255 -10.564 -8.984 432 HA SER 43 HA SER 43 7.397 -10.727 -9.455 433 1HB SER 43 1HB SER 43 9.261 -9.217 -11.207 434 2HB SER 43 2HB SER 43 8.086 -10.257 -12.013 435 HG SER 43 HG SER 43 6.465 -9.166 -10.724 436 H ILE 44 H ILE 44 9.514 -12.555 -8.657 437 HA ILE 44 HA ILE 44 9.428 -14.421 -10.938 438 HB ILE 44 HB ILE 44 11.721 -13.708 -10.433 439 1HG1 ILE 44 1HG1 ILE 44 12.324 -16.277 -9.550 440 2HG1 ILE 44 2HG1 ILE 44 10.760 -16.460 -10.337 441 1HG2 ILE 44 1HG2 ILE 44 12.539 -14.852 -8.146 442 2HG2 ILE 44 2HG2 ILE 44 10.897 -14.403 -7.687 443 3HG2 ILE 44 3HG2 ILE 44 12.019 -13.171 -8.261 444 1HD1 ILE 44 1HD1 ILE 44 12.435 -14.844 -11.977 445 2HD1 ILE 44 2HD1 ILE 44 11.731 -16.425 -12.317 446 3HD1 ILE 44 3HD1 ILE 44 13.302 -16.311 -11.524 447 H GLY 45 H GLY 45 7.231 -14.454 -9.452 448 1HA GLY 45 1HA GLY 45 7.570 -16.837 -7.737 449 2HA GLY 45 2HA GLY 45 6.475 -15.530 -7.309 450 H ARG 46 H ARG 46 5.396 -15.056 -9.886 451 HA ARG 46 HA ARG 46 3.691 -15.736 -11.228 452 1HB ARG 46 1HB ARG 46 5.501 -18.029 -11.080 453 2HB ARG 46 2HB ARG 46 3.842 -18.487 -11.438 454 1HG ARG 46 1HG ARG 46 5.236 -16.318 -12.964 455 2HG ARG 46 2HG ARG 46 5.400 -18.020 -13.400 456 1HD ARG 46 1HD ARG 46 3.576 -17.663 -14.655 457 2HD ARG 46 2HD ARG 46 2.700 -17.780 -13.128 458 HE ARG 46 HE ARG 46 3.440 -15.146 -13.339 459 1HH1 ARG 46 1HH1 ARG 46 1.570 -17.380 -15.259 460 2HH1 ARG 46 2HH1 ARG 46 0.543 -16.151 -15.916 461 1HH2 ARG 46 1HH2 ARG 46 2.088 -13.528 -14.199 462 2HH2 ARG 46 2HH2 ARG 46 0.835 -13.964 -15.312 Start of MODEL 15 1 1H MET -18 1H MET -18 -3.416 13.953 39.867 2 2H MET -18 2H MET -18 -4.097 12.462 39.357 3 3H MET -18 3H MET -18 -3.631 12.680 40.995 4 HA MET -18 HA MET -18 -5.904 12.884 40.988 5 1HB MET -18 1HB MET -18 -4.827 15.698 40.775 6 2HB MET -18 2HB MET -18 -6.198 15.154 41.732 7 1HG MET -18 1HG MET -18 -4.725 15.153 43.411 8 2HG MET -18 2HG MET -18 -4.235 13.598 42.743 9 1HE MET -18 1HE MET -18 -2.270 13.161 43.245 10 2HE MET -18 2HE MET -18 -0.857 14.205 43.404 11 3HE MET -18 3HE MET -18 -1.218 13.440 41.856 12 H ASN -17 H ASN -17 -7.738 14.510 40.264 13 HA ASN -17 HA ASN -17 -7.892 14.247 37.370 14 1HB ASN -17 1HB ASN -17 -10.294 14.912 37.734 15 2HB ASN -17 2HB ASN -17 -9.805 13.433 38.557 16 1HD2 ASN -17 1HD2 ASN -17 -10.748 13.295 40.449 17 2HD2 ASN -17 2HD2 ASN -17 -10.988 14.588 41.569 18 H SER -16 H SER -16 -6.069 16.182 38.079 19 HA SER -16 HA SER -16 -7.412 18.760 37.854 20 1HB SER -16 1HB SER -16 -5.022 19.636 38.030 21 2HB SER -16 2HB SER -16 -5.650 18.787 39.443 22 HG SER -16 HG SER -16 -3.726 17.852 39.133 23 H VAL -15 H VAL -15 -7.758 19.698 35.958 24 HA VAL -15 HA VAL -15 -6.382 18.666 33.596 25 HB VAL -15 HB VAL -15 -8.668 20.634 33.674 26 1HG1 VAL -15 1HG1 VAL -15 -7.669 18.837 31.467 27 2HG1 VAL -15 2HG1 VAL -15 -7.364 20.569 31.591 28 3HG1 VAL -15 3HG1 VAL -15 -9.009 19.978 31.362 29 1HG2 VAL -15 1HG2 VAL -15 -9.638 18.785 34.674 30 2HG2 VAL -15 2HG2 VAL -15 -8.650 17.644 33.761 31 3HG2 VAL -15 3HG2 VAL -15 -9.970 18.500 32.964 32 H LYS -14 H LYS -14 -6.506 21.423 35.646 33 HA LYS -14 HA LYS -14 -5.212 23.183 33.747 34 1HB LYS -14 1HB LYS -14 -6.835 23.882 35.638 35 2HB LYS -14 2HB LYS -14 -5.455 23.680 36.708 36 1HG LYS -14 1HG LYS -14 -4.904 25.314 34.345 37 2HG LYS -14 2HG LYS -14 -6.127 25.983 35.426 38 1HD LYS -14 1HD LYS -14 -3.466 24.985 36.412 39 2HD LYS -14 2HD LYS -14 -3.716 26.649 35.879 40 1HE LYS -14 1HE LYS -14 -5.253 25.261 38.073 41 2HE LYS -14 2HE LYS -14 -3.934 26.403 38.317 42 1HZ LYS -14 1HZ LYS -14 -6.640 26.964 37.990 43 2HZ LYS -14 2HZ LYS -14 -5.854 27.560 36.616 44 3HZ LYS -14 3HZ LYS -14 -5.366 28.065 38.156 45 H GLU -13 H GLU -13 -4.395 21.095 36.416 46 HA GLU -13 HA GLU -13 -1.675 21.965 36.577 47 1HB GLU -13 1HB GLU -13 -3.052 19.545 37.743 48 2HB GLU -13 2HB GLU -13 -1.398 20.022 38.100 49 1HG GLU -13 1HG GLU -13 -2.233 22.138 39.033 50 2HG GLU -13 2HG GLU -13 -3.883 21.599 38.727 51 H LEU -12 H LEU -12 -3.482 19.360 35.116 52 HA LEU -12 HA LEU -12 -1.207 17.920 34.176 53 1HB LEU -12 1HB LEU -12 -4.144 17.816 33.678 54 2HB LEU -12 2HB LEU -12 -3.076 16.994 32.557 55 HG LEU -12 HG LEU -12 -2.952 16.472 35.515 56 1HD1 LEU -12 1HD1 LEU -12 -4.689 15.047 35.478 57 2HD1 LEU -12 2HD1 LEU -12 -4.372 14.535 33.821 58 3HD1 LEU -12 3HD1 LEU -12 -5.230 16.045 34.128 59 1HD2 LEU -12 1HD2 LEU -12 -1.236 15.772 33.569 60 2HD2 LEU -12 2HD2 LEU -12 -2.361 14.415 33.487 61 3HD2 LEU -12 3HD2 LEU -12 -1.539 14.788 35.002 62 H ASN -11 H ASN -11 -3.020 20.627 33.029 63 HA ASN -11 HA ASN -11 -2.313 20.461 30.296 64 1HB ASN -11 1HB ASN -11 -3.794 22.244 31.978 65 2HB ASN -11 2HB ASN -11 -2.677 23.184 30.994 66 1HD2 ASN -11 1HD2 ASN -11 -4.826 20.386 30.594 67 2HD2 ASN -11 2HD2 ASN -11 -5.516 20.918 29.102 68 H VAL -10 H VAL -10 -0.679 21.608 33.109 69 HA VAL -10 HA VAL -10 1.251 23.222 31.753 70 HB VAL -10 HB VAL -10 1.489 21.990 34.500 71 1HG1 VAL -10 1HG1 VAL -10 3.050 23.965 32.956 72 2HG1 VAL -10 2HG1 VAL -10 3.567 22.832 34.204 73 3HG1 VAL -10 3HG1 VAL -10 2.771 24.338 34.657 74 1HG2 VAL -10 1HG2 VAL -10 0.683 24.803 34.276 75 2HG2 VAL -10 2HG2 VAL -10 0.117 23.543 35.372 76 3HG2 VAL -10 3HG2 VAL -10 -0.529 23.641 33.733 77 H LYS -9 H LYS -9 1.724 20.207 33.604 78 HA LYS -9 HA LYS -9 4.255 19.593 32.727 79 1HB LYS -9 1HB LYS -9 1.999 18.063 33.853 80 2HB LYS -9 2HB LYS -9 3.191 17.105 32.984 81 1HG LYS -9 1HG LYS -9 4.600 17.203 34.688 82 2HG LYS -9 2HG LYS -9 4.506 18.965 34.729 83 1HD LYS -9 1HD LYS -9 2.147 18.376 35.854 84 2HD LYS -9 2HD LYS -9 3.058 16.942 36.332 85 1HE LYS -9 1HE LYS -9 3.870 19.804 36.832 86 2HE LYS -9 2HE LYS -9 3.192 18.700 38.028 87 1HZ LYS -9 1HZ LYS -9 5.797 18.425 36.631 88 2HZ LYS -9 2HZ LYS -9 5.133 17.244 37.645 89 3HZ LYS -9 3HZ LYS -9 5.554 18.757 38.273 90 H GLU -8 H GLU -8 1.247 19.252 31.020 91 HA GLU -8 HA GLU -8 2.004 17.389 29.076 92 1HB GLU -8 1HB GLU -8 -0.198 19.162 29.545 93 2HB GLU -8 2HB GLU -8 0.271 19.256 27.853 94 1HG GLU -8 1HG GLU -8 0.007 16.562 29.051 95 2HG GLU -8 2HG GLU -8 -1.470 17.477 28.755 96 H MET -7 H MET -7 1.491 20.768 28.275 97 HA MET -7 HA MET -7 3.113 20.790 26.016 98 1HB MET -7 1HB MET -7 3.090 23.287 26.285 99 2HB MET -7 2HB MET -7 1.504 22.530 26.316 100 1HG MET -7 1HG MET -7 1.181 22.968 28.538 101 2HG MET -7 2HG MET -7 2.907 23.019 28.891 102 1HE MET -7 1HE MET -7 3.685 26.601 29.048 103 2HE MET -7 2HE MET -7 4.395 25.017 28.738 104 3HE MET -7 3HE MET -7 3.319 25.247 30.115 105 H LYS -6 H LYS -6 3.913 21.335 29.384 106 HA LYS -6 HA LYS -6 6.387 22.560 29.158 107 1HB LYS -6 1HB LYS -6 5.062 21.999 31.273 108 2HB LYS -6 2HB LYS -6 5.805 20.408 31.184 109 1HG LYS -6 1HG LYS -6 8.027 21.480 31.279 110 2HG LYS -6 2HG LYS -6 7.232 23.044 31.472 111 1HD LYS -6 1HD LYS -6 6.028 21.874 33.465 112 2HD LYS -6 2HD LYS -6 7.374 20.738 33.373 113 1HE LYS -6 1HE LYS -6 8.625 23.182 33.246 114 2HE LYS -6 2HE LYS -6 7.297 23.480 34.367 115 1HZ LYS -6 1HZ LYS -6 8.069 21.856 35.826 116 2HZ LYS -6 2HZ LYS -6 9.481 22.641 35.325 117 3HZ LYS -6 3HZ LYS -6 9.072 21.137 34.669 118 H GLN -5 H GLN -5 5.875 19.047 29.596 119 HA GLN -5 HA GLN -5 8.545 18.510 28.650 120 1HB GLN -5 1HB GLN -5 6.342 16.969 29.882 121 2HB GLN -5 2HB GLN -5 7.497 16.077 28.906 122 1HG GLN -5 1HG GLN -5 8.924 16.036 30.595 123 2HG GLN -5 2HG GLN -5 8.948 17.798 30.636 124 1HE2 GLN -5 1HE2 GLN -5 8.780 18.353 32.693 125 2HE2 GLN -5 2HE2 GLN -5 7.595 17.767 33.805 126 H LEU -4 H LEU -4 6.215 19.518 26.929 127 HA LEU -4 HA LEU -4 5.964 17.407 24.962 128 1HB LEU -4 1HB LEU -4 4.023 18.829 25.554 129 2HB LEU -4 2HB LEU -4 4.877 20.217 24.911 130 HG LEU -4 HG LEU -4 4.388 17.853 23.146 131 1HD1 LEU -4 1HD1 LEU -4 2.279 18.891 24.454 132 2HD1 LEU -4 2HD1 LEU -4 2.200 18.268 22.805 133 3HD1 LEU -4 3HD1 LEU -4 2.373 20.001 23.087 134 1HD2 LEU -4 1HD2 LEU -4 5.758 19.440 22.130 135 2HD2 LEU -4 2HD2 LEU -4 4.850 20.795 22.803 136 3HD2 LEU -4 3HD2 LEU -4 4.151 19.820 21.511 137 H HIS -3 H HIS -3 6.776 20.827 24.766 138 HA HIS -3 HA HIS -3 8.221 20.505 22.333 139 1HB HIS -3 1HB HIS -3 7.359 22.717 24.026 140 2HB HIS -3 2HB HIS -3 8.959 22.976 23.340 141 HD1 HIS -3 HD1 HIS -3 6.631 21.017 21.251 142 HD2 HIS -3 HD2 HIS -3 7.746 24.993 21.711 143 HE1 HIS -3 HE1 HIS -3 5.761 22.199 19.210 144 HE2 HIS -3 HE2 HIS -3 6.523 24.586 19.469 145 H GLY -2 H GLY -2 9.030 20.310 25.665 146 1HA GLY -2 1HA GLY -2 11.872 20.049 24.920 147 2HA GLY -2 2HA GLY -2 11.396 20.957 26.346 148 H GLY -1 H GLY -1 12.946 19.342 27.300 149 1HA GLY -1 1HA GLY -1 13.297 17.525 28.657 150 2HA GLY -1 2HA GLY -1 11.550 17.462 28.831 151 H VAL 1 H VAL 1 14.284 16.344 26.929 152 HA VAL 1 HA VAL 1 12.696 14.538 25.347 153 HB VAL 1 HB VAL 1 14.763 15.508 24.442 154 1HG1 VAL 1 1HG1 VAL 1 16.534 13.719 25.962 155 2HG1 VAL 1 2HG1 VAL 1 15.857 15.068 26.876 156 3HG1 VAL 1 3HG1 VAL 1 16.789 15.375 25.410 157 1HG2 VAL 1 1HG2 VAL 1 15.313 13.667 23.210 158 2HG2 VAL 1 2HG2 VAL 1 13.828 13.077 23.958 159 3HG2 VAL 1 3HG2 VAL 1 15.396 12.610 24.620 160 H ASN 2 H ASN 2 11.837 12.767 26.201 161 HA ASN 2 HA ASN 2 13.476 10.841 27.548 162 1HB ASN 2 1HB ASN 2 11.676 12.606 29.088 163 2HB ASN 2 2HB ASN 2 11.536 10.888 29.451 164 1HD2 ASN 2 1HD2 ASN 2 12.930 13.574 30.490 165 2HD2 ASN 2 2HD2 ASN 2 14.396 12.947 31.156 166 H TYR 3 H TYR 3 12.609 10.010 25.425 167 HA TYR 3 HA TYR 3 11.288 8.559 24.276 168 1HB TYR 3 1HB TYR 3 10.334 7.951 27.078 169 2HB TYR 3 2HB TYR 3 9.841 7.028 25.662 170 HD1 TYR 3 HD1 TYR 3 11.158 5.257 24.890 171 HD2 TYR 3 HD2 TYR 3 12.843 8.078 27.592 172 HE1 TYR 3 HE1 TYR 3 13.159 3.844 25.108 173 HE2 TYR 3 HE2 TYR 3 14.848 6.675 27.817 174 HH TYR 3 HH TYR 3 14.986 3.464 26.649 175 H GLY 4 H GLY 4 10.427 11.217 24.354 176 1HA GLY 4 1HA GLY 4 7.495 10.854 24.281 177 2HA GLY 4 2HA GLY 4 8.241 12.338 24.856 178 H ASN 5 H ASN 5 8.745 13.902 23.421 179 HA ASN 5 HA ASN 5 8.871 15.056 21.472 180 1HB ASN 5 1HB ASN 5 10.484 13.048 21.103 181 2HB ASN 5 2HB ASN 5 9.251 12.507 19.970 182 1HD2 ASN 5 1HD2 ASN 5 10.994 15.481 20.820 183 2HD2 ASN 5 2HD2 ASN 5 11.275 15.985 19.192 184 H GLY 6 H GLY 6 6.388 13.159 22.218 185 1HA GLY 6 1HA GLY 6 4.686 14.279 20.213 186 2HA GLY 6 2HA GLY 6 4.931 12.555 19.977 187 H VAL 7 H VAL 7 4.203 14.795 22.652 188 HA VAL 7 HA VAL 7 2.934 14.501 24.534 189 HB VAL 7 HB VAL 7 1.399 15.021 22.461 190 1HG1 VAL 7 1HG1 VAL 7 1.154 12.357 22.288 191 2HG1 VAL 7 2HG1 VAL 7 -0.086 13.488 21.751 192 3HG1 VAL 7 3HG1 VAL 7 -0.217 12.726 23.334 193 1HG2 VAL 7 1HG2 VAL 7 1.098 15.077 25.208 194 2HG2 VAL 7 2HG2 VAL 7 -0.371 14.297 24.624 195 3HG2 VAL 7 3HG2 VAL 7 0.082 15.891 24.019 196 H SER 8 H SER 8 0.792 12.740 25.043 197 HA SER 8 HA SER 8 1.876 10.048 24.897 198 1HB SER 8 1HB SER 8 1.516 11.549 27.492 199 2HB SER 8 2HB SER 8 1.580 9.789 27.413 200 HG SER 8 HG SER 8 3.651 10.252 27.664 201 H CYS 9 H CYS 9 0.318 8.519 24.853 202 HA CYS 9 HA CYS 9 -2.367 9.266 24.468 203 1HB CYS 9 1HB CYS 9 -1.341 6.509 25.166 204 2HB CYS 9 2HB CYS 9 -2.845 6.901 24.338 205 H SER 10 H SER 10 -3.743 9.952 25.965 206 HA SER 10 HA SER 10 -4.305 8.432 28.301 207 1HB SER 10 1HB SER 10 -3.760 10.308 29.924 208 2HB SER 10 2HB SER 10 -2.379 9.419 29.282 209 HG SER 10 HG SER 10 -3.020 12.047 29.023 210 H LYS 11 H LYS 11 -6.431 8.535 28.222 211 HA LYS 11 HA LYS 11 -8.561 9.304 28.125 212 1HB LYS 11 1HB LYS 11 -7.446 10.714 29.994 213 2HB LYS 11 2HB LYS 11 -7.580 12.032 28.838 214 1HG LYS 11 1HG LYS 11 -10.092 11.018 28.756 215 2HG LYS 11 2HG LYS 11 -9.649 10.702 30.435 216 1HD LYS 11 1HD LYS 11 -8.759 13.263 30.079 217 2HD LYS 11 2HD LYS 11 -10.211 13.235 29.075 218 1HE LYS 11 1HE LYS 11 -10.140 12.292 31.935 219 2HE LYS 11 2HE LYS 11 -10.563 13.938 31.464 220 1HZ LYS 11 1HZ LYS 11 -11.999 11.793 30.118 221 2HZ LYS 11 2HZ LYS 11 -12.558 13.292 30.668 222 3HZ LYS 11 3HZ LYS 11 -12.354 12.015 31.758 223 H THR 12 H THR 12 -6.346 10.214 25.943 224 HA THR 12 HA THR 12 -8.338 11.278 24.170 225 HB THR 12 HB THR 12 -6.256 12.914 25.417 226 HG1 THR 12 HG1 THR 12 -7.724 14.526 24.882 227 1HG2 THR 12 1HG2 THR 12 -6.712 13.251 22.462 228 2HG2 THR 12 2HG2 THR 12 -5.215 12.686 23.202 229 3HG2 THR 12 3HG2 THR 12 -5.790 14.323 23.517 230 H LYS 13 H LYS 13 -7.404 11.519 21.908 231 HA LYS 13 HA LYS 13 -6.258 9.140 21.067 232 1HB LYS 13 1HB LYS 13 -6.677 11.814 19.837 233 2HB LYS 13 2HB LYS 13 -5.558 10.726 19.027 234 1HG LYS 13 1HG LYS 13 -7.226 9.572 18.144 235 2HG LYS 13 2HG LYS 13 -7.955 9.316 19.731 236 1HD LYS 13 1HD LYS 13 -9.606 10.460 18.549 237 2HD LYS 13 2HD LYS 13 -8.818 11.730 19.487 238 1HE LYS 13 1HE LYS 13 -7.446 12.290 17.515 239 2HE LYS 13 2HE LYS 13 -8.309 11.064 16.588 240 1HZ LYS 13 1HZ LYS 13 -10.123 12.360 16.397 241 2HZ LYS 13 2HZ LYS 13 -9.021 13.617 16.650 242 3HZ LYS 13 3HZ LYS 13 -9.957 13.042 17.936 243 H CYS 14 H CYS 14 -4.117 9.423 19.500 244 HA CYS 14 HA CYS 14 -2.014 10.384 21.267 245 1HB CYS 14 1HB CYS 14 -1.850 8.062 19.327 246 2HB CYS 14 2HB CYS 14 -0.644 8.541 20.518 247 H SER 15 H SER 15 -0.393 9.428 18.809 248 HA SER 15 HA SER 15 -0.920 11.640 16.982 249 1HB SER 15 1HB SER 15 0.994 11.945 18.897 250 2HB SER 15 2HB SER 15 1.945 11.255 17.582 251 HG SER 15 HG SER 15 0.886 12.941 16.252 252 H VAL 16 H VAL 16 0.448 11.470 14.978 253 HA VAL 16 HA VAL 16 0.447 8.699 14.100 254 HB VAL 16 HB VAL 16 1.045 11.156 12.451 255 1HG1 VAL 16 1HG1 VAL 16 0.637 8.274 11.875 256 2HG1 VAL 16 2HG1 VAL 16 1.702 9.446 11.100 257 3HG1 VAL 16 3HG1 VAL 16 -0.021 9.439 10.726 258 1HG2 VAL 16 1HG2 VAL 16 -1.186 11.236 13.594 259 2HG2 VAL 16 2HG2 VAL 16 -1.615 9.767 12.718 260 3HG2 VAL 16 3HG2 VAL 16 -1.255 11.249 11.833 261 H ASN 17 H ASN 17 2.224 7.732 12.997 262 HA ASN 17 HA ASN 17 4.805 8.612 14.052 263 1HB ASN 17 1HB ASN 17 4.018 6.011 12.717 264 2HB ASN 17 2HB ASN 17 5.596 6.364 13.416 265 1HD2 ASN 17 1HD2 ASN 17 5.312 7.306 15.761 266 2HD2 ASN 17 2HD2 ASN 17 4.316 6.340 16.790 267 H TRP 18 H TRP 18 4.251 10.373 12.256 268 HA TRP 18 HA TRP 18 4.749 9.733 9.560 269 1HB TRP 18 1HB TRP 18 4.023 12.019 10.999 270 2HB TRP 18 2HB TRP 18 5.548 12.437 10.223 271 HD1 TRP 18 HD1 TRP 18 2.573 10.366 8.825 272 HE1 TRP 18 HE1 TRP 18 1.849 11.433 6.597 273 HE3 TRP 18 HE3 TRP 18 5.770 14.355 8.757 274 HZ2 TRP 18 HZ2 TRP 18 2.542 13.669 5.021 275 HZ3 TRP 18 HZ3 TRP 18 5.676 15.910 6.854 276 HH2 TRP 18 HH2 TRP 18 4.094 15.573 5.023 277 H GLY 19 H GLY 19 6.868 9.856 12.203 278 1HA GLY 19 1HA GLY 19 9.185 10.356 10.455 279 2HA GLY 19 2HA GLY 19 9.195 10.472 12.209 280 H GLN 20 H GLN 20 8.378 8.248 13.220 281 HA GLN 20 HA GLN 20 10.419 6.397 12.822 282 1HB GLN 20 1HB GLN 20 8.569 6.691 14.725 283 2HB GLN 20 2HB GLN 20 7.790 5.404 13.813 284 1HG GLN 20 1HG GLN 20 9.008 4.008 15.035 285 2HG GLN 20 2HG GLN 20 10.373 4.510 14.039 286 1HE2 GLN 20 1HE2 GLN 20 12.026 5.541 14.970 287 2HE2 GLN 20 2HE2 GLN 20 12.068 6.063 16.617 288 H ALA 21 H ALA 21 6.970 5.903 11.924 289 HA ALA 21 HA ALA 21 7.611 3.712 10.301 290 1HB ALA 21 1HB ALA 21 5.117 5.178 9.729 291 2HB ALA 21 2HB ALA 21 5.308 4.443 11.322 292 3HB ALA 21 3HB ALA 21 5.404 3.443 9.870 293 H PHE 22 H PHE 22 8.316 6.768 9.817 294 HA PHE 22 HA PHE 22 7.884 7.032 7.010 295 1HB PHE 22 1HB PHE 22 8.636 8.785 9.005 296 2HB PHE 22 2HB PHE 22 10.146 8.538 8.137 297 HD1 PHE 22 HD1 PHE 22 6.596 8.822 7.028 298 HD2 PHE 22 HD2 PHE 22 10.565 10.338 6.780 299 HE1 PHE 22 HE1 PHE 22 5.869 10.433 5.317 300 HE2 PHE 22 HE2 PHE 22 9.845 11.952 5.069 301 HZ PHE 22 HZ PHE 22 7.495 12.003 4.335 302 H GLN 23 H GLN 23 10.418 6.019 9.177 303 HA GLN 23 HA GLN 23 12.313 5.365 7.118 304 1HB GLN 23 1HB GLN 23 13.221 5.947 9.243 305 2HB GLN 23 2HB GLN 23 12.152 4.838 10.091 306 1HG GLN 23 1HG GLN 23 13.491 3.064 9.729 307 2HG GLN 23 2HG GLN 23 13.967 3.610 8.121 308 1HE2 GLN 23 1HE2 GLN 23 14.851 3.354 11.373 309 2HE2 GLN 23 2HE2 GLN 23 16.322 4.256 11.301 310 H GLU 24 H GLU 24 9.604 3.886 8.638 311 HA GLU 24 HA GLU 24 10.249 1.167 8.238 312 1HB GLU 24 1HB GLU 24 7.683 2.643 8.703 313 2HB GLU 24 2HB GLU 24 7.684 0.918 8.368 314 1HG GLU 24 1HG GLU 24 9.162 0.570 10.307 315 2HG GLU 24 2HG GLU 24 9.065 2.295 10.661 316 H ARG 25 H ARG 25 8.029 3.307 6.460 317 HA ARG 25 HA ARG 25 7.469 1.551 4.369 318 1HB ARG 25 1HB ARG 25 7.320 4.518 4.696 319 2HB ARG 25 2HB ARG 25 7.067 3.820 3.101 320 1HG ARG 25 1HG ARG 25 5.253 2.439 4.009 321 2HG ARG 25 2HG ARG 25 5.493 3.187 5.589 322 1HD ARG 25 1HD ARG 25 5.139 5.414 4.347 323 2HD ARG 25 2HD ARG 25 4.467 4.420 3.056 324 HE ARG 25 HE ARG 25 3.236 5.062 5.561 325 1HH1 ARG 25 1HH1 ARG 25 3.385 2.694 3.001 326 2HH1 ARG 25 2HH1 ARG 25 1.793 2.084 3.303 327 1HH2 ARG 25 1HH2 ARG 25 1.142 4.259 5.960 328 2HH2 ARG 25 2HH2 ARG 25 0.520 2.973 4.982 329 H TYR 26 H TYR 26 10.195 3.607 4.924 330 HA TYR 26 HA TYR 26 11.196 3.685 2.285 331 1HB TYR 26 1HB TYR 26 11.957 4.715 4.801 332 2HB TYR 26 2HB TYR 26 13.325 3.771 4.220 333 HD1 TYR 26 HD1 TYR 26 14.316 4.320 1.974 334 HD2 TYR 26 HD2 TYR 26 11.446 6.825 3.870 335 HE1 TYR 26 HE1 TYR 26 14.978 6.180 0.508 336 HE2 TYR 26 HE2 TYR 26 12.101 8.691 2.408 337 HH TYR 26 HH TYR 26 13.257 8.748 -0.098 338 H THR 27 H THR 27 11.761 1.503 5.008 339 HA THR 27 HA THR 27 13.753 -0.054 3.713 340 HB THR 27 HB THR 27 11.926 -0.786 6.011 341 HG1 THR 27 HG1 THR 27 14.455 0.465 5.896 342 1HG2 THR 27 1HG2 THR 27 14.137 -2.140 6.549 343 2HG2 THR 27 2HG2 THR 27 14.238 -2.165 4.788 344 3HG2 THR 27 3HG2 THR 27 12.818 -2.824 5.599 345 H ALA 28 H ALA 28 10.250 -0.398 4.090 346 HA ALA 28 HA ALA 28 10.023 -2.931 2.881 347 1HB ALA 28 1HB ALA 28 7.766 -1.068 2.541 348 2HB ALA 28 2HB ALA 28 8.308 -1.329 4.199 349 3HB ALA 28 3HB ALA 28 7.804 -2.699 3.209 350 H GLY 29 H GLY 29 10.229 0.304 1.573 351 1HA GLY 29 1HA GLY 29 9.305 -0.312 -1.045 352 2HA GLY 29 2HA GLY 29 10.251 1.096 -0.587 353 H ILE 30 H ILE 30 12.604 0.125 0.237 354 HA ILE 30 HA ILE 30 13.946 -0.486 -2.143 355 HB ILE 30 HB ILE 30 14.946 -0.979 0.664 356 1HG1 ILE 30 1HG1 ILE 30 14.174 1.319 0.443 357 2HG1 ILE 30 2HG1 ILE 30 15.934 1.285 0.480 358 1HG2 ILE 30 1HG2 ILE 30 16.420 -0.532 -1.928 359 2HG2 ILE 30 2HG2 ILE 30 16.317 -2.046 -1.030 360 3HG2 ILE 30 3HG2 ILE 30 17.168 -0.667 -0.336 361 1HD1 ILE 30 1HD1 ILE 30 15.399 1.146 -2.197 362 2HD1 ILE 30 2HD1 ILE 30 15.809 2.609 -1.302 363 3HD1 ILE 30 3HD1 ILE 30 14.119 2.202 -1.601 364 H ASN 31 H ASN 31 12.814 -2.557 0.481 365 HA ASN 31 HA ASN 31 14.067 -4.936 -0.170 366 1HB ASN 31 1HB ASN 31 12.273 -4.224 1.710 367 2HB ASN 31 2HB ASN 31 11.216 -5.130 0.631 368 1HD2 ASN 31 1HD2 ASN 31 12.184 -5.703 3.354 369 2HD2 ASN 31 2HD2 ASN 31 12.924 -7.262 3.261 370 H SER 32 H SER 32 10.741 -4.069 -1.138 371 HA SER 32 HA SER 32 10.465 -6.137 -3.013 372 1HB SER 32 1HB SER 32 9.051 -3.470 -3.155 373 2HB SER 32 2HB SER 32 8.471 -5.033 -3.731 374 HG SER 32 HG SER 32 8.003 -3.968 -1.407 375 H PHE 33 H PHE 33 11.848 -2.942 -3.239 376 HA PHE 33 HA PHE 33 11.916 -2.741 -6.053 377 1HB PHE 33 1HB PHE 33 12.296 -0.679 -5.154 378 2HB PHE 33 2HB PHE 33 13.141 -1.329 -3.755 379 HD1 PHE 33 HD1 PHE 33 15.413 -1.030 -3.580 380 HD2 PHE 33 HD2 PHE 33 13.590 -0.816 -7.419 381 HE1 PHE 33 HE1 PHE 33 17.564 -0.344 -4.560 382 HE2 PHE 33 HE2 PHE 33 15.738 -0.131 -8.406 383 HZ PHE 33 HZ PHE 33 17.729 0.106 -6.976 384 H VAL 34 H VAL 34 14.336 -3.827 -3.683 385 HA VAL 34 HA VAL 34 16.432 -4.347 -5.424 386 HB VAL 34 HB VAL 34 15.728 -5.958 -2.963 387 1HG1 VAL 34 1HG1 VAL 34 17.703 -6.997 -3.143 388 2HG1 VAL 34 2HG1 VAL 34 18.542 -5.516 -3.603 389 3HG1 VAL 34 3HG1 VAL 34 17.685 -6.458 -4.822 390 1HG2 VAL 34 1HG2 VAL 34 17.793 -3.983 -2.595 391 2HG2 VAL 34 2HG2 VAL 34 16.298 -4.225 -1.692 392 3HG2 VAL 34 3HG2 VAL 34 16.298 -3.227 -3.146 393 H SER 35 H SER 35 14.452 -6.987 -4.042 394 HA SER 35 HA SER 35 15.168 -8.895 -5.788 395 1HB SER 35 1HB SER 35 13.369 -10.192 -5.001 396 2HB SER 35 2HB SER 35 13.637 -9.039 -3.695 397 HG SER 35 HG SER 35 11.401 -9.441 -4.855 398 H GLY 36 H GLY 36 12.294 -6.871 -6.189 399 1HA GLY 36 1HA GLY 36 11.238 -7.781 -8.495 400 2HA GLY 36 2HA GLY 36 11.493 -6.053 -8.246 401 H VAL 37 H VAL 37 14.210 -5.929 -8.196 402 HA VAL 37 HA VAL 37 14.894 -6.353 -10.965 403 HB VAL 37 HB VAL 37 16.387 -4.839 -8.823 404 1HG1 VAL 37 1HG1 VAL 37 17.545 -3.809 -10.785 405 2HG1 VAL 37 2HG1 VAL 37 16.779 -5.022 -11.808 406 3HG1 VAL 37 3HG1 VAL 37 17.904 -5.518 -10.544 407 1HG2 VAL 37 1HG2 VAL 37 14.635 -3.435 -9.063 408 2HG2 VAL 37 2HG2 VAL 37 14.169 -4.109 -10.625 409 3HG2 VAL 37 3HG2 VAL 37 15.494 -2.949 -10.524 410 H ALA 38 H ALA 38 16.788 -6.554 -7.972 411 HA ALA 38 HA ALA 38 18.520 -8.522 -9.085 412 1HB ALA 38 1HB ALA 38 18.938 -6.496 -7.387 413 2HB ALA 38 2HB ALA 38 20.009 -7.890 -7.525 414 3HB ALA 38 3HB ALA 38 18.798 -7.831 -6.236 415 H SER 39 H SER 39 17.162 -8.444 -5.876 416 HA SER 39 HA SER 39 17.425 -11.141 -5.367 417 1HB SER 39 1HB SER 39 16.994 -8.932 -3.926 418 2HB SER 39 2HB SER 39 15.412 -9.709 -3.808 419 HG SER 39 HG SER 39 16.687 -11.660 -3.227 420 H GLY 40 H GLY 40 15.350 -10.054 -7.596 421 1HA GLY 40 1HA GLY 40 13.625 -12.379 -7.253 422 2HA GLY 40 2HA GLY 40 12.833 -10.810 -7.290 423 H ALA 41 H ALA 41 15.511 -12.240 -9.154 424 HA ALA 41 HA ALA 41 14.845 -11.003 -11.566 425 1HB ALA 41 1HB ALA 41 16.154 -13.632 -11.771 426 2HB ALA 41 2HB ALA 41 16.945 -12.459 -10.718 427 3HB ALA 41 3HB ALA 41 16.645 -12.064 -12.410 428 H GLY 42 H GLY 42 13.454 -13.735 -10.017 429 1HA GLY 42 1HA GLY 42 11.149 -14.034 -11.225 430 2HA GLY 42 2HA GLY 42 12.192 -14.658 -12.495 431 H SER 43 H SER 43 12.125 -15.050 -8.951 432 HA SER 43 HA SER 43 12.325 -17.949 -9.366 433 1HB SER 43 1HB SER 43 14.110 -16.852 -8.013 434 2HB SER 43 2HB SER 43 12.879 -16.374 -6.843 435 HG SER 43 HG SER 43 14.158 -18.471 -6.588 436 H ILE 44 H ILE 44 10.245 -15.477 -8.228 437 HA ILE 44 HA ILE 44 8.236 -17.476 -7.545 438 HB ILE 44 HB ILE 44 9.277 -16.953 -5.398 439 1HG1 ILE 44 1HG1 ILE 44 7.213 -16.064 -4.226 440 2HG1 ILE 44 2HG1 ILE 44 6.504 -15.831 -5.821 441 1HG2 ILE 44 1HG2 ILE 44 9.774 -14.889 -4.650 442 2HG2 ILE 44 2HG2 ILE 44 8.325 -14.167 -5.350 443 3HG2 ILE 44 3HG2 ILE 44 9.731 -14.485 -6.367 444 1HD1 ILE 44 1HD1 ILE 44 7.563 -18.499 -4.990 445 2HD1 ILE 44 2HD1 ILE 44 6.369 -18.109 -6.227 446 3HD1 ILE 44 3HD1 ILE 44 5.948 -17.969 -4.520 447 H GLY 45 H GLY 45 7.569 -16.600 -9.684 448 1HA GLY 45 1HA GLY 45 6.047 -14.088 -9.337 449 2HA GLY 45 2HA GLY 45 6.821 -14.528 -10.852 450 H ARG 46 H ARG 46 6.124 -17.222 -10.999 451 HA ARG 46 HA ARG 46 3.551 -17.061 -12.121 452 1HB ARG 46 1HB ARG 46 3.720 -19.470 -12.433 453 2HB ARG 46 2HB ARG 46 5.245 -18.696 -12.840 454 1HG ARG 46 1HG ARG 46 5.880 -19.270 -10.383 455 2HG ARG 46 2HG ARG 46 4.567 -20.441 -10.519 456 1HD ARG 46 1HD ARG 46 5.816 -21.013 -12.786 457 2HD ARG 46 2HD ARG 46 7.193 -20.351 -11.906 458 HE ARG 46 HE ARG 46 5.707 -22.316 -10.424 459 1HH1 ARG 46 1HH1 ARG 46 8.265 -21.815 -12.745 460 2HH1 ARG 46 2HH1 ARG 46 9.056 -23.312 -12.383 461 1HH2 ARG 46 1HH2 ARG 46 6.746 -24.285 -9.946 462 2HH2 ARG 46 2HH2 ARG 46 8.193 -24.715 -10.795 Start of MODEL 16 1 1H MET -18 1H MET -18 14.492 40.986 17.838 2 2H MET -18 2H MET -18 13.761 39.620 18.578 3 3H MET -18 3H MET -18 14.216 40.974 19.529 4 HA MET -18 HA MET -18 12.576 42.304 18.640 5 1HB MET -18 1HB MET -18 12.494 40.142 16.564 6 2HB MET -18 2HB MET -18 11.084 41.161 16.814 7 1HG MET -18 1HG MET -18 13.634 42.591 16.522 8 2HG MET -18 2HG MET -18 13.084 41.716 15.094 9 1HE MET -18 1HE MET -18 11.849 45.771 16.365 10 2HE MET -18 2HE MET -18 13.347 45.154 15.668 11 3HE MET -18 3HE MET -18 12.873 44.681 17.300 12 H ASN -17 H ASN -17 10.333 42.220 19.205 13 HA ASN -17 HA ASN -17 9.753 40.078 21.079 14 1HB ASN -17 1HB ASN -17 9.411 42.611 21.493 15 2HB ASN -17 2HB ASN -17 7.952 42.421 20.525 16 1HD2 ASN -17 1HD2 ASN -17 6.222 41.300 21.348 17 2HD2 ASN -17 2HD2 ASN -17 6.114 40.824 23.004 18 H SER -16 H SER -16 9.256 38.326 19.763 19 HA SER -16 HA SER -16 7.218 38.556 17.731 20 1HB SER -16 1HB SER -16 8.697 36.152 18.826 21 2HB SER -16 2HB SER -16 7.563 36.098 17.475 22 HG SER -16 HG SER -16 9.043 36.906 16.215 23 H VAL -15 H VAL -15 5.166 38.762 18.351 24 HA VAL -15 HA VAL -15 4.246 37.407 20.771 25 HB VAL -15 HB VAL -15 2.690 39.320 19.030 26 1HG1 VAL -15 1HG1 VAL -15 1.331 39.613 21.069 27 2HG1 VAL -15 2HG1 VAL -15 2.288 38.360 21.861 28 3HG1 VAL -15 3HG1 VAL -15 1.295 37.959 20.460 29 1HG2 VAL -15 1HG2 VAL -15 4.238 40.812 19.722 30 2HG2 VAL -15 2HG2 VAL -15 4.765 39.803 21.069 31 3HG2 VAL -15 3HG2 VAL -15 3.299 40.773 21.215 32 H LYS -14 H LYS -14 4.096 37.176 17.350 33 HA LYS -14 HA LYS -14 1.756 35.472 17.330 34 1HB LYS -14 1HB LYS -14 2.947 37.061 15.424 35 2HB LYS -14 2HB LYS -14 3.474 35.453 14.945 36 1HG LYS -14 1HG LYS -14 0.611 36.274 15.386 37 2HG LYS -14 2HG LYS -14 1.411 36.161 13.818 38 1HD LYS -14 1HD LYS -14 0.859 34.008 13.730 39 2HD LYS -14 2HD LYS -14 1.879 33.715 15.140 40 1HE LYS -14 1HE LYS -14 0.107 33.775 16.604 41 2HE LYS -14 2HE LYS -14 -0.868 34.795 15.547 42 1HZ LYS -14 1HZ LYS -14 -1.647 33.023 14.405 43 2HZ LYS -14 2HZ LYS -14 -1.324 32.218 15.857 44 3HZ LYS -14 3HZ LYS -14 -0.225 32.121 14.576 45 H GLU -13 H GLU -13 5.231 35.220 17.330 46 HA GLU -13 HA GLU -13 5.282 32.412 16.805 47 1HB GLU -13 1HB GLU -13 7.466 34.157 17.940 48 2HB GLU -13 2HB GLU -13 7.666 32.555 17.245 49 1HG GLU -13 1HG GLU -13 6.382 34.450 15.441 50 2HG GLU -13 2HG GLU -13 8.007 34.926 15.929 51 H LEU -12 H LEU -12 5.477 34.516 19.591 52 HA LEU -12 HA LEU -12 5.953 32.428 21.476 53 1HB LEU -12 1HB LEU -12 5.355 35.323 21.591 54 2HB LEU -12 2HB LEU -12 4.920 34.387 23.007 55 HG LEU -12 HG LEU -12 7.229 33.633 23.253 56 1HD1 LEU -12 1HD1 LEU -12 8.157 35.527 21.156 57 2HD1 LEU -12 2HD1 LEU -12 7.577 33.936 20.663 58 3HD1 LEU -12 3HD1 LEU -12 8.926 34.072 21.789 59 1HD2 LEU -12 1HD2 LEU -12 7.363 36.601 22.881 60 2HD2 LEU -12 2HD2 LEU -12 8.074 35.602 24.148 61 3HD2 LEU -12 3HD2 LEU -12 6.334 35.892 24.126 62 H ASN -11 H ASN -11 3.142 33.747 19.965 63 HA ASN -11 HA ASN -11 1.250 32.857 21.887 64 1HB ASN -11 1HB ASN -11 0.735 34.661 20.301 65 2HB ASN -11 2HB ASN -11 0.862 33.521 18.963 66 1HD2 ASN -11 1HD2 ASN -11 -1.191 33.617 18.234 67 2HD2 ASN -11 2HD2 ASN -11 -2.570 33.125 19.150 68 H VAL -10 H VAL -10 2.919 31.367 19.267 69 HA VAL -10 HA VAL -10 1.114 29.180 18.898 70 HB VAL -10 HB VAL -10 4.042 29.263 18.168 71 1HG1 VAL -10 1HG1 VAL -10 3.357 27.077 17.859 72 2HG1 VAL -10 2HG1 VAL -10 3.058 27.784 16.271 73 3HG1 VAL -10 3HG1 VAL -10 1.721 27.545 17.396 74 1HG2 VAL -10 1HG2 VAL -10 3.457 31.034 16.913 75 2HG2 VAL -10 2HG2 VAL -10 1.734 30.683 17.034 76 3HG2 VAL -10 3HG2 VAL -10 2.729 29.821 15.861 77 H LYS -9 H LYS -9 4.160 29.632 20.658 78 HA LYS -9 HA LYS -9 4.556 27.022 21.525 79 1HB LYS -9 1HB LYS -9 5.311 29.699 22.647 80 2HB LYS -9 2HB LYS -9 5.659 28.234 23.557 81 1HG LYS -9 1HG LYS -9 7.579 28.215 22.427 82 2HG LYS -9 2HG LYS -9 6.616 27.596 21.085 83 1HD LYS -9 1HD LYS -9 7.196 29.384 19.897 84 2HD LYS -9 2HD LYS -9 6.321 30.395 21.049 85 1HE LYS -9 1HE LYS -9 9.215 29.566 21.243 86 2HE LYS -9 2HE LYS -9 8.619 31.161 20.787 87 1HZ LYS -9 1HZ LYS -9 8.201 29.847 23.419 88 2HZ LYS -9 2HZ LYS -9 7.633 31.381 22.982 89 3HZ LYS -9 3HZ LYS -9 9.297 31.099 23.103 90 H GLU -8 H GLU -8 2.338 29.458 22.668 91 HA GLU -8 HA GLU -8 1.734 28.405 25.186 92 1HB GLU -8 1HB GLU -8 0.587 30.359 23.368 93 2HB GLU -8 2HB GLU -8 -0.651 29.485 24.261 94 1HG GLU -8 1HG GLU -8 -0.288 30.769 26.018 95 2HG GLU -8 2HG GLU -8 1.375 30.190 26.101 96 H MET -7 H MET -7 -0.581 28.278 22.552 97 HA MET -7 HA MET -7 -2.070 26.151 23.479 98 1HB MET -7 1HB MET -7 -1.997 27.739 21.148 99 2HB MET -7 2HB MET -7 -1.991 26.068 20.603 100 1HG MET -7 1HG MET -7 -3.950 26.975 22.666 101 2HG MET -7 2HG MET -7 -4.238 27.293 20.956 102 1HE MET -7 1HE MET -7 -4.457 23.733 19.427 103 2HE MET -7 2HE MET -7 -2.946 24.627 19.594 104 3HE MET -7 3HE MET -7 -4.424 25.471 19.133 105 H LYS -6 H LYS -6 0.970 26.116 21.788 106 HA LYS -6 HA LYS -6 1.031 23.551 20.749 107 1HB LYS -6 1HB LYS -6 2.779 25.328 20.456 108 2HB LYS -6 2HB LYS -6 3.361 24.948 22.071 109 1HG LYS -6 1HG LYS -6 4.771 23.797 20.588 110 2HG LYS -6 2HG LYS -6 3.686 22.579 21.259 111 1HD LYS -6 1HD LYS -6 3.957 22.275 18.854 112 2HD LYS -6 2HD LYS -6 2.293 22.713 19.250 113 1HE LYS -6 1HE LYS -6 2.416 24.670 18.147 114 2HE LYS -6 2HE LYS -6 4.064 24.985 18.685 115 1HZ LYS -6 1HZ LYS -6 4.487 22.976 17.008 116 2HZ LYS -6 2HZ LYS -6 4.505 24.598 16.525 117 3HZ LYS -6 3HZ LYS -6 3.121 23.658 16.278 118 H GLN -5 H GLN -5 2.585 24.445 23.841 119 HA GLN -5 HA GLN -5 2.475 21.700 24.711 120 1HB GLN -5 1HB GLN -5 3.553 24.222 25.914 121 2HB GLN -5 2HB GLN -5 3.572 22.689 26.772 122 1HG GLN -5 1HG GLN -5 5.605 22.462 25.865 123 2HG GLN -5 2HG GLN -5 4.715 21.977 24.421 124 1HE2 GLN -5 1HE2 GLN -5 5.476 22.892 22.667 125 2HE2 GLN -5 2HE2 GLN -5 6.106 24.495 22.538 126 H LEU -4 H LEU -4 0.058 23.584 24.474 127 HA LEU -4 HA LEU -4 -0.929 23.612 27.196 128 1HB LEU -4 1HB LEU -4 -1.350 25.258 25.042 129 2HB LEU -4 2HB LEU -4 -2.817 24.301 25.073 130 HG LEU -4 HG LEU -4 -1.949 25.467 27.656 131 1HD1 LEU -4 1HD1 LEU -4 -1.505 27.361 26.290 132 2HD1 LEU -4 2HD1 LEU -4 -3.077 27.621 27.047 133 3HD1 LEU -4 3HD1 LEU -4 -2.983 27.115 25.360 134 1HD2 LEU -4 1HD2 LEU -4 -3.992 24.087 27.358 135 2HD2 LEU -4 2HD2 LEU -4 -4.632 25.335 26.288 136 3HD2 LEU -4 3HD2 LEU -4 -4.317 25.703 27.983 137 H HIS -3 H HIS -3 -1.782 22.200 24.099 138 HA HIS -3 HA HIS -3 -3.962 20.670 24.976 139 1HB HIS -3 1HB HIS -3 -3.164 21.212 22.566 140 2HB HIS -3 2HB HIS -3 -2.166 19.773 22.742 141 HD1 HIS -3 HD1 HIS -3 -3.293 18.004 21.430 142 HD2 HIS -3 HD2 HIS -3 -5.996 20.228 23.669 143 HE1 HIS -3 HE1 HIS -3 -5.525 16.902 21.076 144 HE2 HIS -3 HE2 HIS -3 -7.159 18.319 22.368 145 H GLY -2 H GLY -2 -0.584 20.227 25.382 146 1HA GLY -2 1HA GLY -2 -0.103 18.622 27.251 147 2HA GLY -2 2HA GLY -2 -1.051 17.467 26.328 148 H GLY -1 H GLY -1 -0.226 16.835 24.201 149 1HA GLY -1 1HA GLY -1 2.276 17.472 23.185 150 2HA GLY -1 2HA GLY -1 2.532 16.169 24.336 151 H VAL 1 H VAL 1 0.683 17.070 21.452 152 HA VAL 1 HA VAL 1 1.067 14.397 20.390 153 HB VAL 1 HB VAL 1 -1.034 14.173 21.642 154 1HG1 VAL 1 1HG1 VAL 1 -2.961 15.467 21.203 155 2HG1 VAL 1 2HG1 VAL 1 -2.228 16.217 19.786 156 3HG1 VAL 1 3HG1 VAL 1 -1.639 16.618 21.400 157 1HG2 VAL 1 1HG2 VAL 1 -0.722 12.883 19.593 158 2HG2 VAL 1 2HG2 VAL 1 -1.430 14.195 18.650 159 3HG2 VAL 1 3HG2 VAL 1 -2.418 13.315 19.817 160 H ASN 2 H ASN 2 1.305 14.416 18.226 161 HA ASN 2 HA ASN 2 0.294 16.693 16.693 162 1HB ASN 2 1HB ASN 2 3.144 16.003 17.145 163 2HB ASN 2 2HB ASN 2 2.696 16.427 15.496 164 1HD2 ASN 2 1HD2 ASN 2 1.438 18.462 15.264 165 2HD2 ASN 2 2HD2 ASN 2 1.878 19.792 16.275 166 H TYR 3 H TYR 3 -0.737 14.113 16.775 167 HA TYR 3 HA TYR 3 -1.229 12.256 15.534 168 1HB TYR 3 1HB TYR 3 -1.634 12.807 13.099 169 2HB TYR 3 2HB TYR 3 -2.459 13.843 14.259 170 HD1 TYR 3 HD1 TYR 3 -1.927 16.178 14.430 171 HD2 TYR 3 HD2 TYR 3 0.288 13.657 11.815 172 HE1 TYR 3 HE1 TYR 3 -0.945 18.162 13.360 173 HE2 TYR 3 HE2 TYR 3 1.276 15.635 10.737 174 HH TYR 3 HH TYR 3 0.649 18.073 10.433 175 H GLY 4 H GLY 4 1.506 12.345 16.177 176 1HA GLY 4 1HA GLY 4 2.524 10.620 14.080 177 2HA GLY 4 2HA GLY 4 3.435 12.101 14.322 178 H ASN 5 H ASN 5 1.896 10.645 17.058 179 HA ASN 5 HA ASN 5 4.510 9.627 17.955 180 1HB ASN 5 1HB ASN 5 3.620 11.743 19.089 181 2HB ASN 5 2HB ASN 5 2.396 10.702 19.811 182 1HD2 ASN 5 1HD2 ASN 5 4.186 12.140 21.334 183 2HD2 ASN 5 2HD2 ASN 5 5.261 11.046 22.131 184 H GLY 6 H GLY 6 1.183 8.955 17.479 185 1HA GLY 6 1HA GLY 6 0.323 6.755 17.407 186 2HA GLY 6 2HA GLY 6 1.613 6.242 18.485 187 H VAL 7 H VAL 7 -1.502 7.838 18.289 188 HA VAL 7 HA VAL 7 -1.779 8.184 21.117 189 HB VAL 7 HB VAL 7 -2.977 9.429 19.150 190 1HG1 VAL 7 1HG1 VAL 7 -4.873 8.596 18.259 191 2HG1 VAL 7 2HG1 VAL 7 -5.297 7.703 19.719 192 3HG1 VAL 7 3HG1 VAL 7 -4.082 7.061 18.614 193 1HG2 VAL 7 1HG2 VAL 7 -3.961 10.508 20.816 194 2HG2 VAL 7 2HG2 VAL 7 -3.403 9.226 21.890 195 3HG2 VAL 7 3HG2 VAL 7 -5.008 9.132 21.166 196 H SER 8 H SER 8 -4.421 7.273 21.498 197 HA SER 8 HA SER 8 -3.934 4.382 21.688 198 1HB SER 8 1HB SER 8 -4.536 6.120 23.691 199 2HB SER 8 2HB SER 8 -6.148 5.553 23.256 200 HG SER 8 HG SER 8 -3.973 4.131 24.301 201 H CYS 9 H CYS 9 -5.474 2.902 21.047 202 HA CYS 9 HA CYS 9 -7.542 3.967 19.256 203 1HB CYS 9 1HB CYS 9 -6.673 1.088 19.394 204 2HB CYS 9 2HB CYS 9 -7.461 1.930 18.066 205 H SER 10 H SER 10 -9.518 4.092 20.076 206 HA SER 10 HA SER 10 -10.640 1.825 21.492 207 1HB SER 10 1HB SER 10 -10.877 4.512 22.823 208 2HB SER 10 2HB SER 10 -11.201 2.913 23.493 209 HG SER 10 HG SER 10 -9.084 4.161 23.942 210 H LYS 11 H LYS 11 -12.424 1.466 20.385 211 HA LYS 11 HA LYS 11 -14.416 1.737 19.333 212 1HB LYS 11 1HB LYS 11 -14.722 2.985 21.581 213 2HB LYS 11 2HB LYS 11 -14.675 4.436 20.592 214 1HG LYS 11 1HG LYS 11 -16.562 3.568 19.269 215 2HG LYS 11 2HG LYS 11 -16.629 2.158 20.330 216 1HD LYS 11 1HD LYS 11 -16.686 4.801 21.651 217 2HD LYS 11 2HD LYS 11 -18.113 4.367 20.707 218 1HE LYS 11 1HE LYS 11 -17.013 2.317 22.546 219 2HE LYS 11 2HE LYS 11 -17.825 3.702 23.273 220 1HZ LYS 11 1HZ LYS 11 -19.707 2.616 22.889 221 2HZ LYS 11 2HZ LYS 11 -18.947 1.458 21.920 222 3HZ LYS 11 3HZ LYS 11 -19.479 2.911 21.238 223 H THR 12 H THR 12 -11.808 3.511 18.542 224 HA THR 12 HA THR 12 -13.018 4.430 16.114 225 HB THR 12 HB THR 12 -13.286 6.326 17.657 226 HG1 THR 12 HG1 THR 12 -13.057 6.868 15.515 227 1HG2 THR 12 1HG2 THR 12 -10.669 7.318 17.671 228 2HG2 THR 12 2HG2 THR 12 -10.619 5.671 18.296 229 3HG2 THR 12 3HG2 THR 12 -11.679 6.864 19.043 230 H LYS 13 H LYS 13 -11.019 5.866 15.004 231 HA LYS 13 HA LYS 13 -9.146 3.867 14.302 232 1HB LYS 13 1HB LYS 13 -9.921 6.431 13.345 233 2HB LYS 13 2HB LYS 13 -8.178 6.450 13.560 234 1HG LYS 13 1HG LYS 13 -8.095 5.549 11.526 235 2HG LYS 13 2HG LYS 13 -8.577 4.047 12.318 236 1HD LYS 13 1HD LYS 13 -10.756 5.904 11.585 237 2HD LYS 13 2HD LYS 13 -9.909 5.124 10.248 238 1HE LYS 13 1HE LYS 13 -10.623 3.335 12.462 239 2HE LYS 13 2HE LYS 13 -11.999 4.038 11.613 240 1HZ LYS 13 1HZ LYS 13 -11.635 2.228 10.319 241 2HZ LYS 13 2HZ LYS 13 -9.977 2.163 10.646 242 3HZ LYS 13 3HZ LYS 13 -10.576 3.294 9.541 243 H CYS 14 H CYS 14 -6.703 5.222 14.122 244 HA CYS 14 HA CYS 14 -5.974 5.655 16.902 245 1HB CYS 14 1HB CYS 14 -4.293 4.229 14.822 246 2HB CYS 14 2HB CYS 14 -3.936 4.407 16.537 247 H SER 15 H SER 15 -3.234 5.880 15.475 248 HA SER 15 HA SER 15 -3.565 8.580 14.382 249 1HB SER 15 1HB SER 15 -2.757 8.506 16.832 250 2HB SER 15 2HB SER 15 -1.242 7.890 16.171 251 HG SER 15 HG SER 15 -0.832 9.792 15.282 252 H VAL 16 H VAL 16 -1.782 9.299 13.031 253 HA VAL 16 HA VAL 16 -0.688 7.078 11.498 254 HB VAL 16 HB VAL 16 -0.479 10.023 10.873 255 1HG1 VAL 16 1HG1 VAL 16 -0.399 8.938 8.502 256 2HG1 VAL 16 2HG1 VAL 16 0.100 7.497 9.389 257 3HG1 VAL 16 3HG1 VAL 16 1.053 8.978 9.504 258 1HG2 VAL 16 1HG2 VAL 16 -2.605 8.042 10.067 259 2HG2 VAL 16 2HG2 VAL 16 -2.404 9.644 9.358 260 3HG2 VAL 16 3HG2 VAL 16 -2.819 9.480 11.065 261 H ASN 17 H ASN 17 1.549 7.120 10.763 262 HA ASN 17 HA ASN 17 3.371 8.437 12.663 263 1HB ASN 17 1HB ASN 17 3.502 5.601 11.622 264 2HB ASN 17 2HB ASN 17 4.828 6.393 12.468 265 1HD2 ASN 17 1HD2 ASN 17 1.934 4.667 12.768 266 2HD2 ASN 17 2HD2 ASN 17 1.778 4.750 14.485 267 H TRP 18 H TRP 18 3.335 10.023 10.844 268 HA TRP 18 HA TRP 18 4.427 9.387 8.324 269 1HB TRP 18 1HB TRP 18 3.448 11.727 9.667 270 2HB TRP 18 2HB TRP 18 4.972 12.109 8.872 271 HD1 TRP 18 HD1 TRP 18 2.124 9.807 7.588 272 HE1 TRP 18 HE1 TRP 18 1.376 10.685 5.286 273 HE3 TRP 18 HE3 TRP 18 5.074 13.975 7.308 274 HZ2 TRP 18 HZ2 TRP 18 1.958 12.856 3.580 275 HZ3 TRP 18 HZ3 TRP 18 4.918 15.398 5.307 276 HH2 TRP 18 HH2 TRP 18 3.392 14.849 3.482 277 H GLY 19 H GLY 19 5.918 9.620 11.353 278 1HA GLY 19 1HA GLY 19 8.531 10.229 10.132 279 2HA GLY 19 2HA GLY 19 8.157 10.375 11.843 280 H GLN 20 H GLN 20 7.257 8.136 12.727 281 HA GLN 20 HA GLN 20 9.414 6.380 12.815 282 1HB GLN 20 1HB GLN 20 6.503 6.064 13.508 283 2HB GLN 20 2HB GLN 20 7.619 4.714 13.666 284 1HG GLN 20 1HG GLN 20 8.013 7.380 15.000 285 2HG GLN 20 2HG GLN 20 7.222 6.001 15.761 286 1HE2 GLN 20 1HE2 GLN 20 10.234 7.210 14.452 287 2HE2 GLN 20 2HE2 GLN 20 11.265 6.099 15.282 288 H ALA 21 H ALA 21 6.258 5.715 11.220 289 HA ALA 21 HA ALA 21 7.325 3.537 9.819 290 1HB ALA 21 1HB ALA 21 5.279 3.174 8.897 291 2HB ALA 21 2HB ALA 21 4.936 4.898 8.733 292 3HB ALA 21 3HB ALA 21 4.834 4.125 10.316 293 H PHE 22 H PHE 22 7.950 6.633 9.426 294 HA PHE 22 HA PHE 22 8.106 6.869 6.595 295 1HB PHE 22 1HB PHE 22 8.362 8.663 8.643 296 2HB PHE 22 2HB PHE 22 10.047 8.415 8.204 297 HD1 PHE 22 HD1 PHE 22 6.869 8.720 6.267 298 HD2 PHE 22 HD2 PHE 22 10.839 10.115 6.899 299 HE1 PHE 22 HE1 PHE 22 6.612 10.291 4.390 300 HE2 PHE 22 HE2 PHE 22 10.588 11.689 5.024 301 HZ PHE 22 HZ PHE 22 8.472 11.778 3.767 302 H GLN 23 H GLN 23 10.205 5.946 9.223 303 HA GLN 23 HA GLN 23 12.479 5.337 7.581 304 1HB GLN 23 1HB GLN 23 11.783 5.305 10.432 305 2HB GLN 23 2HB GLN 23 12.801 3.949 9.955 306 1HG GLN 23 1HG GLN 23 14.397 5.563 8.959 307 2HG GLN 23 2HG GLN 23 13.405 6.874 9.592 308 1HE2 GLN 23 1HE2 GLN 23 13.430 7.321 11.769 309 2HE2 GLN 23 2HE2 GLN 23 14.579 6.630 12.858 310 H GLU 24 H GLU 24 9.583 3.765 8.586 311 HA GLU 24 HA GLU 24 10.416 1.077 8.213 312 1HB GLU 24 1HB GLU 24 7.695 2.349 8.376 313 2HB GLU 24 2HB GLU 24 7.940 0.616 8.214 314 1HG GLU 24 1HG GLU 24 9.120 2.227 10.456 315 2HG GLU 24 2HG GLU 24 7.532 1.468 10.545 316 H ARG 25 H ARG 25 8.135 3.075 6.345 317 HA ARG 25 HA ARG 25 7.891 1.401 4.156 318 1HB ARG 25 1HB ARG 25 7.670 4.396 4.387 319 2HB ARG 25 2HB ARG 25 7.316 3.540 2.892 320 1HG ARG 25 1HG ARG 25 5.622 2.203 4.147 321 2HG ARG 25 2HG ARG 25 5.902 3.260 5.532 322 1HD ARG 25 1HD ARG 25 5.077 5.149 4.385 323 2HD ARG 25 2HD ARG 25 5.143 4.326 2.826 324 HE ARG 25 HE ARG 25 3.372 3.078 4.714 325 1HH1 ARG 25 1HH1 ARG 25 3.662 5.561 2.278 326 2HH1 ARG 25 2HH1 ARG 25 1.966 5.592 1.930 327 1HH2 ARG 25 1HH2 ARG 25 1.143 3.117 4.257 328 2HH2 ARG 25 2HH2 ARG 25 0.535 4.204 3.053 329 H TYR 26 H TYR 26 10.448 3.579 4.985 330 HA TYR 26 HA TYR 26 11.653 3.820 2.450 331 1HB TYR 26 1HB TYR 26 12.114 4.946 4.877 332 2HB TYR 26 2HB TYR 26 13.451 3.804 4.795 333 HD1 TYR 26 HD1 TYR 26 13.068 7.042 4.545 334 HD2 TYR 26 HD2 TYR 26 14.123 3.851 1.936 335 HE1 TYR 26 HE1 TYR 26 14.317 8.619 3.132 336 HE2 TYR 26 HE2 TYR 26 15.376 5.419 0.516 337 HH TYR 26 HH TYR 26 16.543 8.006 1.215 338 H THR 27 H THR 27 12.162 1.552 5.121 339 HA THR 27 HA THR 27 14.187 0.073 3.722 340 HB THR 27 HB THR 27 12.608 -0.606 6.214 341 HG1 THR 27 HG1 THR 27 14.440 0.133 7.283 342 1HG2 THR 27 1HG2 THR 27 13.490 -2.654 5.495 343 2HG2 THR 27 2HG2 THR 27 14.628 -2.052 6.699 344 3HG2 THR 27 3HG2 THR 27 15.006 -1.916 4.982 345 H ALA 28 H ALA 28 10.758 -0.404 4.475 346 HA ALA 28 HA ALA 28 10.536 -2.961 3.298 347 1HB ALA 28 1HB ALA 28 8.371 -2.875 3.926 348 2HB ALA 28 2HB ALA 28 8.139 -1.245 3.292 349 3HB ALA 28 3HB ALA 28 8.917 -1.481 4.858 350 H GLY 29 H GLY 29 10.350 0.289 2.024 351 1HA GLY 29 1HA GLY 29 9.122 -0.362 -0.453 352 2HA GLY 29 2HA GLY 29 10.040 1.096 -0.107 353 H ILE 30 H ILE 30 12.534 0.288 0.358 354 HA ILE 30 HA ILE 30 13.569 -0.239 -2.185 355 HB ILE 30 HB ILE 30 14.943 -0.635 0.478 356 1HG1 ILE 30 1HG1 ILE 30 14.928 1.773 -1.353 357 2HG1 ILE 30 2HG1 ILE 30 13.988 1.638 0.128 358 1HG2 ILE 30 1HG2 ILE 30 16.481 -1.588 -0.879 359 2HG2 ILE 30 2HG2 ILE 30 16.902 0.093 -1.210 360 3HG2 ILE 30 3HG2 ILE 30 15.859 -0.791 -2.324 361 1HD1 ILE 30 1HD1 ILE 30 16.692 1.049 0.742 362 2HD1 ILE 30 2HD1 ILE 30 15.703 2.405 1.284 363 3HD1 ILE 30 3HD1 ILE 30 16.644 2.538 -0.202 364 H ASN 31 H ASN 31 12.641 -2.387 0.405 365 HA ASN 31 HA ASN 31 14.026 -4.694 -0.291 366 1HB ASN 31 1HB ASN 31 11.359 -4.231 1.016 367 2HB ASN 31 2HB ASN 31 11.923 -5.865 0.684 368 1HD2 ASN 31 1HD2 ASN 31 11.577 -5.674 3.151 369 2HD2 ASN 31 2HD2 ASN 31 12.999 -5.315 4.063 370 H SER 32 H SER 32 10.708 -3.803 -1.262 371 HA SER 32 HA SER 32 10.362 -5.912 -3.079 372 1HB SER 32 1HB SER 32 9.037 -3.249 -2.688 373 2HB SER 32 2HB SER 32 8.641 -4.219 -4.107 374 HG SER 32 HG SER 32 7.232 -4.923 -2.627 375 H PHE 33 H PHE 33 11.836 -2.760 -3.400 376 HA PHE 33 HA PHE 33 11.947 -2.650 -6.213 377 1HB PHE 33 1HB PHE 33 13.177 -1.206 -3.956 378 2HB PHE 33 2HB PHE 33 14.132 -1.208 -5.436 379 HD1 PHE 33 HD1 PHE 33 13.049 -0.383 -7.565 380 HD2 PHE 33 HD2 PHE 33 11.331 0.205 -3.716 381 HE1 PHE 33 HE1 PHE 33 11.657 1.433 -8.467 382 HE2 PHE 33 HE2 PHE 33 9.935 2.021 -4.612 383 HZ PHE 33 HZ PHE 33 10.096 2.638 -6.992 384 H VAL 34 H VAL 34 14.310 -3.757 -3.798 385 HA VAL 34 HA VAL 34 16.396 -4.406 -5.510 386 HB VAL 34 HB VAL 34 15.633 -5.944 -3.021 387 1HG1 VAL 34 1HG1 VAL 34 17.327 -7.084 -4.290 388 2HG1 VAL 34 2HG1 VAL 34 18.083 -6.339 -2.881 389 3HG1 VAL 34 3HG1 VAL 34 18.254 -5.594 -4.470 390 1HG2 VAL 34 1HG2 VAL 34 17.648 -4.151 -2.373 391 2HG2 VAL 34 2HG2 VAL 34 15.949 -4.034 -1.918 392 3HG2 VAL 34 3HG2 VAL 34 16.532 -3.211 -3.364 393 H SER 35 H SER 35 14.354 -6.951 -4.046 394 HA SER 35 HA SER 35 14.997 -8.917 -5.754 395 1HB SER 35 1HB SER 35 13.163 -10.146 -4.923 396 2HB SER 35 2HB SER 35 13.511 -8.992 -3.636 397 HG SER 35 HG SER 35 11.619 -8.149 -3.940 398 H GLY 36 H GLY 36 12.166 -6.834 -6.159 399 1HA GLY 36 1HA GLY 36 11.050 -7.776 -8.425 400 2HA GLY 36 2HA GLY 36 11.350 -6.047 -8.224 401 H VAL 37 H VAL 37 14.075 -6.000 -8.215 402 HA VAL 37 HA VAL 37 14.701 -6.498 -10.985 403 HB VAL 37 HB VAL 37 16.266 -4.983 -8.895 404 1HG1 VAL 37 1HG1 VAL 37 17.894 -5.396 -10.429 405 2HG1 VAL 37 2HG1 VAL 37 17.153 -3.998 -11.208 406 3HG1 VAL 37 3HG1 VAL 37 16.748 -5.626 -11.750 407 1HG2 VAL 37 1HG2 VAL 37 14.123 -3.925 -9.353 408 2HG2 VAL 37 2HG2 VAL 37 14.451 -3.975 -11.085 409 3HG2 VAL 37 3HG2 VAL 37 15.443 -2.971 -10.029 410 H ALA 38 H ALA 38 16.646 -6.688 -8.025 411 HA ALA 38 HA ALA 38 18.289 -8.738 -9.124 412 1HB ALA 38 1HB ALA 38 18.801 -6.682 -7.481 413 2HB ALA 38 2HB ALA 38 19.833 -8.105 -7.623 414 3HB ALA 38 3HB ALA 38 18.662 -7.993 -6.302 415 H SER 39 H SER 39 17.007 -8.531 -5.889 416 HA SER 39 HA SER 39 17.200 -11.220 -5.310 417 1HB SER 39 1HB SER 39 16.908 -8.987 -3.909 418 2HB SER 39 2HB SER 39 15.273 -9.639 -3.767 419 HG SER 39 HG SER 39 17.573 -11.199 -3.248 420 H GLY 40 H GLY 40 15.075 -10.108 -7.503 421 1HA GLY 40 1HA GLY 40 12.963 -11.990 -6.668 422 2HA GLY 40 2HA GLY 40 12.702 -10.605 -7.715 423 H ALA 41 H ALA 41 15.494 -12.642 -8.096 424 HA ALA 41 HA ALA 41 14.807 -13.210 -10.800 425 1HB ALA 41 1HB ALA 41 17.074 -13.005 -10.594 426 2HB ALA 41 2HB ALA 41 16.914 -14.759 -10.502 427 3HB ALA 41 3HB ALA 41 17.113 -13.814 -9.027 428 H GLY 42 H GLY 42 14.311 -14.806 -7.798 429 1HA GLY 42 1HA GLY 42 13.019 -16.672 -7.351 430 2HA GLY 42 2HA GLY 42 12.782 -16.876 -9.080 431 H SER 43 H SER 43 15.033 -17.438 -6.423 432 HA SER 43 HA SER 43 16.670 -19.210 -8.020 433 1HB SER 43 1HB SER 43 16.876 -18.981 -5.035 434 2HB SER 43 2HB SER 43 18.151 -19.262 -6.221 435 HG SER 43 HG SER 43 18.415 -17.191 -6.347 436 H ILE 44 H ILE 44 13.722 -19.568 -6.606 437 HA ILE 44 HA ILE 44 12.507 -21.299 -5.737 438 HB ILE 44 HB ILE 44 12.709 -21.911 -8.112 439 1HG1 ILE 44 1HG1 ILE 44 12.699 -24.595 -7.393 440 2HG1 ILE 44 2HG1 ILE 44 12.242 -23.764 -5.910 441 1HG2 ILE 44 1HG2 ILE 44 14.312 -23.842 -8.615 442 2HG2 ILE 44 2HG2 ILE 44 15.165 -23.339 -7.155 443 3HG2 ILE 44 3HG2 ILE 44 14.987 -22.217 -8.504 444 1HD1 ILE 44 1HD1 ILE 44 10.448 -24.516 -7.659 445 2HD1 ILE 44 2HD1 ILE 44 10.890 -22.997 -8.440 446 3HD1 ILE 44 3HD1 ILE 44 10.283 -22.994 -6.784 447 H GLY 45 H GLY 45 14.545 -20.754 -4.005 448 1HA GLY 45 1HA GLY 45 16.166 -22.996 -3.370 449 2HA GLY 45 2HA GLY 45 15.817 -21.640 -2.308 450 H ARG 46 H ARG 46 14.430 -21.915 -0.651 451 HA ARG 46 HA ARG 46 12.857 -24.403 -0.586 452 1HB ARG 46 1HB ARG 46 15.076 -24.006 0.947 453 2HB ARG 46 2HB ARG 46 13.817 -23.401 2.014 454 1HG ARG 46 1HG ARG 46 13.413 -25.488 2.626 455 2HG ARG 46 2HG ARG 46 12.837 -25.812 0.990 456 1HD ARG 46 1HD ARG 46 15.308 -26.184 0.407 457 2HD ARG 46 2HD ARG 46 15.568 -26.273 2.150 458 HE ARG 46 HE ARG 46 13.479 -28.005 1.201 459 1HH1 ARG 46 1HH1 ARG 46 16.913 -27.693 1.744 460 2HH1 ARG 46 2HH1 ARG 46 17.176 -29.401 1.858 461 1HH2 ARG 46 1HH2 ARG 46 13.825 -30.251 1.351 462 2HH2 ARG 46 2HH2 ARG 46 15.424 -30.854 1.634 Start of MODEL 17 1 1H MET -18 1H MET -18 37.504 45.218 17.365 2 2H MET -18 2H MET -18 36.038 44.537 16.791 3 3H MET -18 3H MET -18 37.387 43.526 17.111 4 HA MET -18 HA MET -18 37.274 44.126 19.429 5 1HB MET -18 1HB MET -18 34.802 45.586 18.479 6 2HB MET -18 2HB MET -18 35.174 45.276 20.169 7 1HG MET -18 1HG MET -18 37.386 46.496 19.681 8 2HG MET -18 2HG MET -18 36.563 47.085 18.237 9 1HE MET -18 1HE MET -18 36.804 49.596 21.562 10 2HE MET -18 2HE MET -18 37.355 49.625 19.888 11 3HE MET -18 3HE MET -18 37.874 48.328 20.964 12 H ASN -17 H ASN -17 37.118 41.808 18.410 13 HA ASN -17 HA ASN -17 34.435 40.695 18.531 14 1HB ASN -17 1HB ASN -17 36.577 40.061 16.992 15 2HB ASN -17 2HB ASN -17 36.749 38.873 18.280 16 1HD2 ASN -17 1HD2 ASN -17 34.068 38.444 18.871 17 2HD2 ASN -17 2HD2 ASN -17 33.323 37.652 17.528 18 H SER -16 H SER -16 33.723 40.615 20.598 19 HA SER -16 HA SER -16 35.438 39.799 22.764 20 1HB SER -16 1HB SER -16 32.969 39.772 23.866 21 2HB SER -16 2HB SER -16 33.920 41.242 23.659 22 HG SER -16 HG SER -16 32.520 41.917 22.250 23 H VAL -15 H VAL -15 35.935 37.746 23.128 24 HA VAL -15 HA VAL -15 34.131 35.641 22.204 25 HB VAL -15 HB VAL -15 36.905 35.338 23.358 26 1HG1 VAL -15 1HG1 VAL -15 36.852 33.129 22.383 27 2HG1 VAL -15 2HG1 VAL -15 35.254 33.434 21.702 28 3HG1 VAL -15 3HG1 VAL -15 35.464 33.336 23.450 29 1HG2 VAL -15 1HG2 VAL -15 36.511 34.950 20.471 30 2HG2 VAL -15 2HG2 VAL -15 37.842 35.708 21.346 31 3HG2 VAL -15 3HG2 VAL -15 36.363 36.617 21.029 32 H LYS -14 H LYS -14 35.197 37.195 25.074 33 HA LYS -14 HA LYS -14 34.314 35.058 26.823 34 1HB LYS -14 1HB LYS -14 36.210 36.902 27.191 35 2HB LYS -14 2HB LYS -14 34.853 37.809 27.843 36 1HG LYS -14 1HG LYS -14 34.770 35.189 28.936 37 2HG LYS -14 2HG LYS -14 36.413 35.810 29.101 38 1HD LYS -14 1HD LYS -14 35.336 36.530 31.047 39 2HD LYS -14 2HD LYS -14 35.305 37.947 29.995 40 1HE LYS -14 1HE LYS -14 32.998 36.183 29.666 41 2HE LYS -14 2HE LYS -14 33.140 36.866 31.285 42 1HZ LYS -14 1HZ LYS -14 32.564 38.183 28.759 43 2HZ LYS -14 2HZ LYS -14 33.583 39.027 29.812 44 3HZ LYS -14 3HZ LYS -14 32.040 38.561 30.324 45 H GLU -13 H GLU -13 33.183 38.073 25.501 46 HA GLU -13 HA GLU -13 30.862 38.206 27.176 47 1HB GLU -13 1HB GLU -13 32.214 40.093 25.800 48 2HB GLU -13 2HB GLU -13 30.931 39.743 24.650 49 1HG GLU -13 1HG GLU -13 29.564 39.989 27.011 50 2HG GLU -13 2HG GLU -13 30.846 41.190 27.174 51 H LEU -12 H LEU -12 31.708 37.109 23.979 52 HA LEU -12 HA LEU -12 28.999 36.572 23.190 53 1HB LEU -12 1HB LEU -12 31.689 35.985 22.012 54 2HB LEU -12 2HB LEU -12 30.254 35.224 21.355 55 HG LEU -12 HG LEU -12 30.602 38.212 21.584 56 1HD1 LEU -12 1HD1 LEU -12 32.119 37.917 19.950 57 2HD1 LEU -12 2HD1 LEU -12 30.694 37.693 18.936 58 3HD1 LEU -12 3HD1 LEU -12 31.553 36.290 19.572 59 1HD2 LEU -12 1HD2 LEU -12 28.301 36.851 21.343 60 2HD2 LEU -12 2HD2 LEU -12 28.761 36.964 19.645 61 3HD2 LEU -12 3HD2 LEU -12 28.576 38.430 20.608 62 H ASN -11 H ASN -11 31.464 34.882 24.908 63 HA ASN -11 HA ASN -11 30.414 32.268 24.449 64 1HB ASN -11 1HB ASN -11 32.785 32.574 24.960 65 2HB ASN -11 2HB ASN -11 32.367 33.247 26.533 66 1HD2 ASN -11 1HD2 ASN -11 33.935 31.420 27.025 67 2HD2 ASN -11 2HD2 ASN -11 33.226 29.885 27.381 68 H VAL -10 H VAL -10 30.127 34.694 26.938 69 HA VAL -10 HA VAL -10 28.649 33.047 28.751 70 HB VAL -10 HB VAL -10 29.946 34.969 29.555 71 1HG1 VAL -10 1HG1 VAL -10 29.546 36.463 27.648 72 2HG1 VAL -10 2HG1 VAL -10 29.196 37.246 29.189 73 3HG1 VAL -10 3HG1 VAL -10 27.875 36.671 28.172 74 1HG2 VAL -10 1HG2 VAL -10 27.111 34.538 30.150 75 2HG2 VAL -10 2HG2 VAL -10 27.730 36.105 30.668 76 3HG2 VAL -10 3HG2 VAL -10 28.500 34.623 31.233 77 H LYS -9 H LYS -9 27.798 35.548 26.388 78 HA LYS -9 HA LYS -9 25.029 35.563 26.945 79 1HB LYS -9 1HB LYS -9 26.651 37.131 25.462 80 2HB LYS -9 2HB LYS -9 25.904 36.181 24.185 81 1HG LYS -9 1HG LYS -9 23.724 36.860 25.620 82 2HG LYS -9 2HG LYS -9 24.758 38.259 25.918 83 1HD LYS -9 1HD LYS -9 24.639 37.338 23.122 84 2HD LYS -9 2HD LYS -9 23.137 38.001 23.769 85 1HE LYS -9 1HE LYS -9 24.798 39.879 24.646 86 2HE LYS -9 2HE LYS -9 25.748 39.326 23.268 87 1HZ LYS -9 1HZ LYS -9 22.923 39.830 22.779 88 2HZ LYS -9 2HZ LYS -9 24.265 40.145 21.799 89 3HZ LYS -9 3HZ LYS -9 23.886 41.190 23.074 90 H GLU -8 H GLU -8 27.056 33.512 25.001 91 HA GLU -8 HA GLU -8 25.182 32.412 23.268 92 1HB GLU -8 1HB GLU -8 27.824 32.036 23.668 93 2HB GLU -8 2HB GLU -8 27.195 30.558 24.384 94 1HG GLU -8 1HG GLU -8 26.678 29.675 22.401 95 2HG GLU -8 2HG GLU -8 26.028 31.195 21.785 96 H MET -7 H MET -7 26.022 31.520 26.549 97 HA MET -7 HA MET -7 24.513 29.192 26.801 98 1HB MET -7 1HB MET -7 25.250 31.290 28.841 99 2HB MET -7 2HB MET -7 24.447 29.785 29.263 100 1HG MET -7 1HG MET -7 26.347 28.544 28.291 101 2HG MET -7 2HG MET -7 27.159 30.079 27.994 102 1HE MET -7 1HE MET -7 28.336 31.287 31.368 103 2HE MET -7 2HE MET -7 27.313 31.889 30.063 104 3HE MET -7 3HE MET -7 28.831 31.074 29.690 105 H LYS -6 H LYS -6 23.588 32.572 27.298 106 HA LYS -6 HA LYS -6 21.032 32.219 28.312 107 1HB LYS -6 1HB LYS -6 22.428 34.357 26.814 108 2HB LYS -6 2HB LYS -6 20.672 34.422 26.787 109 1HG LYS -6 1HG LYS -6 21.279 35.751 28.600 110 2HG LYS -6 2HG LYS -6 20.798 34.216 29.326 111 1HD LYS -6 1HD LYS -6 22.836 33.871 30.171 112 2HD LYS -6 2HD LYS -6 23.620 34.269 28.641 113 1HE LYS -6 1HE LYS -6 24.270 35.780 30.489 114 2HE LYS -6 2HE LYS -6 23.507 36.622 29.140 115 1HZ LYS -6 1HZ LYS -6 21.932 35.748 31.481 116 2HZ LYS -6 2HZ LYS -6 21.560 36.943 30.344 117 3HZ LYS -6 3HZ LYS -6 22.770 37.218 31.492 118 H GLN -5 H GLN -5 21.958 32.643 24.888 119 HA GLN -5 HA GLN -5 19.332 31.817 24.022 120 1HB GLN -5 1HB GLN -5 21.831 32.691 22.633 121 2HB GLN -5 2HB GLN -5 20.469 32.041 21.734 122 1HG GLN -5 1HG GLN -5 20.225 34.370 21.638 123 2HG GLN -5 2HG GLN -5 19.060 33.828 22.846 124 1HE2 GLN -5 1HE2 GLN -5 22.288 35.185 22.443 125 2HE2 GLN -5 2HE2 GLN -5 22.317 36.035 23.948 126 H LEU -4 H LEU -4 21.439 30.020 25.362 127 HA LEU -4 HA LEU -4 21.841 27.978 23.347 128 1HB LEU -4 1HB LEU -4 23.607 28.566 25.031 129 2HB LEU -4 2HB LEU -4 22.568 27.884 26.266 130 HG LEU -4 HG LEU -4 23.217 26.135 23.960 131 1HD1 LEU -4 1HD1 LEU -4 25.382 25.552 24.757 132 2HD1 LEU -4 2HD1 LEU -4 25.224 26.623 26.150 133 3HD1 LEU -4 3HD1 LEU -4 25.357 27.300 24.528 134 1HD2 LEU -4 1HD2 LEU -4 22.743 24.472 25.414 135 2HD2 LEU -4 2HD2 LEU -4 21.881 25.759 26.255 136 3HD2 LEU -4 3HD2 LEU -4 23.501 25.295 26.776 137 H HIS -3 H HIS -3 20.607 27.976 26.641 138 HA HIS -3 HA HIS -3 19.119 25.580 26.268 139 1HB HIS -3 1HB HIS -3 20.098 26.542 28.458 140 2HB HIS -3 2HB HIS -3 18.638 27.524 28.507 141 HD1 HIS -3 HD1 HIS -3 18.417 26.013 30.811 142 HD2 HIS -3 HD2 HIS -3 17.716 24.119 27.179 143 HE1 HIS -3 HE1 HIS -3 17.128 23.931 31.377 144 HE2 HIS -3 HE2 HIS -3 16.792 22.756 29.173 145 H GLY -2 H GLY -2 18.467 28.911 25.749 146 1HA GLY -2 1HA GLY -2 15.573 28.409 25.612 147 2HA GLY -2 2HA GLY -2 16.332 29.992 25.675 148 H GLY -1 H GLY -1 14.922 27.683 23.688 149 1HA GLY -1 1HA GLY -1 15.424 29.311 21.350 150 2HA GLY -1 2HA GLY -1 16.134 27.705 21.272 151 H VAL 1 H VAL 1 13.073 29.422 21.750 152 HA VAL 1 HA VAL 1 11.378 27.194 21.513 153 HB VAL 1 HB VAL 1 9.606 28.830 20.930 154 1HG1 VAL 1 1HG1 VAL 1 9.635 28.695 23.185 155 2HG1 VAL 1 2HG1 VAL 1 10.212 30.356 23.054 156 3HG1 VAL 1 3HG1 VAL 1 11.361 29.039 23.292 157 1HG2 VAL 1 1HG2 VAL 1 10.384 30.567 19.710 158 2HG2 VAL 1 2HG2 VAL 1 11.968 30.542 20.484 159 3HG2 VAL 1 3HG2 VAL 1 10.600 31.301 21.299 160 H ASN 2 H ASN 2 10.014 26.570 19.744 161 HA ASN 2 HA ASN 2 10.712 27.462 17.078 162 1HB ASN 2 1HB ASN 2 12.400 25.693 17.641 163 2HB ASN 2 2HB ASN 2 11.071 24.549 17.812 164 1HD2 ASN 2 1HD2 ASN 2 11.886 27.086 15.466 165 2HD2 ASN 2 2HD2 ASN 2 11.755 26.074 14.072 166 H TYR 3 H TYR 3 8.339 27.678 18.544 167 HA TYR 3 HA TYR 3 6.094 27.379 18.339 168 1HB TYR 3 1HB TYR 3 7.023 26.303 15.681 169 2HB TYR 3 2HB TYR 3 5.317 26.378 16.112 170 HD1 TYR 3 HD1 TYR 3 4.620 28.793 17.108 171 HD2 TYR 3 HD2 TYR 3 7.841 28.050 14.428 172 HE1 TYR 3 HE1 TYR 3 4.530 31.134 16.361 173 HE2 TYR 3 HE2 TYR 3 7.760 30.390 13.675 174 HH TYR 3 HH TYR 3 6.237 32.251 13.603 175 H GLY 4 H GLY 4 6.309 25.869 20.144 176 1HA GLY 4 1HA GLY 4 5.138 23.309 19.458 177 2HA GLY 4 2HA GLY 4 6.734 23.211 20.186 178 H ASN 5 H ASN 5 4.205 25.555 20.944 179 HA ASN 5 HA ASN 5 4.338 24.723 23.734 180 1HB ASN 5 1HB ASN 5 3.496 27.175 22.292 181 2HB ASN 5 2HB ASN 5 2.657 26.819 23.798 182 1HD2 ASN 5 1HD2 ASN 5 5.142 28.478 22.532 183 2HD2 ASN 5 2HD2 ASN 5 6.180 28.577 23.910 184 H GLY 6 H GLY 6 2.321 24.322 21.008 185 1HA GLY 6 1HA GLY 6 -0.040 23.744 22.639 186 2HA GLY 6 2HA GLY 6 0.006 23.841 20.886 187 H VAL 7 H VAL 7 2.362 22.007 22.695 188 HA VAL 7 HA VAL 7 1.694 19.623 21.255 189 HB VAL 7 HB VAL 7 4.013 20.447 22.158 190 1HG1 VAL 7 1HG1 VAL 7 3.639 18.519 24.351 191 2HG1 VAL 7 2HG1 VAL 7 2.927 20.117 24.579 192 3HG1 VAL 7 3HG1 VAL 7 4.654 19.959 24.260 193 1HG2 VAL 7 1HG2 VAL 7 2.950 17.880 21.426 194 2HG2 VAL 7 2HG2 VAL 7 4.311 17.705 22.534 195 3HG2 VAL 7 3HG2 VAL 7 4.509 18.605 21.031 196 H SER 8 H SER 8 2.185 17.684 23.260 197 HA SER 8 HA SER 8 1.010 16.302 24.627 198 1HB SER 8 1HB SER 8 1.622 18.399 26.078 199 2HB SER 8 2HB SER 8 -0.118 18.683 26.044 200 HG SER 8 HG SER 8 1.015 16.198 26.788 201 H CYS 9 H CYS 9 -1.265 15.917 25.632 202 HA CYS 9 HA CYS 9 -3.194 16.411 23.491 203 1HB CYS 9 1HB CYS 9 -3.505 14.536 25.836 204 2HB CYS 9 2HB CYS 9 -4.419 14.537 24.331 205 H SER 10 H SER 10 -4.762 17.851 23.706 206 HA SER 10 HA SER 10 -6.255 18.230 26.074 207 1HB SER 10 1HB SER 10 -5.564 20.712 26.318 208 2HB SER 10 2HB SER 10 -4.532 19.478 27.039 209 HG SER 10 HG SER 10 -3.632 21.270 25.565 210 H LYS 11 H LYS 11 -8.150 18.396 25.119 211 HA LYS 11 HA LYS 11 -9.859 19.090 23.798 212 1HB LYS 11 1HB LYS 11 -8.893 21.270 24.865 213 2HB LYS 11 2HB LYS 11 -8.395 21.620 23.215 214 1HG LYS 11 1HG LYS 11 -11.173 20.763 23.420 215 2HG LYS 11 2HG LYS 11 -10.823 22.238 24.324 216 1HD LYS 11 1HD LYS 11 -9.817 21.965 21.528 217 2HD LYS 11 2HD LYS 11 -11.517 22.354 21.799 218 1HE LYS 11 1HE LYS 11 -10.727 24.473 21.783 219 2HE LYS 11 2HE LYS 11 -10.393 24.113 23.476 220 1HZ LYS 11 1HZ LYS 11 -8.396 23.635 21.343 221 2HZ LYS 11 2HZ LYS 11 -8.143 23.726 23.013 222 3HZ LYS 11 3HZ LYS 11 -8.523 25.123 22.139 223 H THR 12 H THR 12 -6.971 18.329 22.546 224 HA THR 12 HA THR 12 -8.003 18.245 19.869 225 HB THR 12 HB THR 12 -5.953 20.141 20.743 226 HG1 THR 12 HG1 THR 12 -7.672 19.857 18.526 227 1HG2 THR 12 1HG2 THR 12 -5.472 18.655 18.172 228 2HG2 THR 12 2HG2 THR 12 -4.465 18.540 19.615 229 3HG2 THR 12 3HG2 THR 12 -4.597 20.072 18.751 230 H LYS 13 H LYS 13 -6.459 17.000 18.413 231 HA LYS 13 HA LYS 13 -5.887 14.516 19.495 232 1HB LYS 13 1HB LYS 13 -4.761 15.882 17.049 233 2HB LYS 13 2HB LYS 13 -4.448 14.197 17.439 234 1HG LYS 13 1HG LYS 13 -6.585 13.540 16.957 235 2HG LYS 13 2HG LYS 13 -7.270 15.128 17.313 236 1HD LYS 13 1HD LYS 13 -6.733 15.972 15.239 237 2HD LYS 13 2HD LYS 13 -5.400 14.840 15.006 238 1HE LYS 13 1HE LYS 13 -7.478 13.124 15.118 239 2HE LYS 13 2HE LYS 13 -8.275 14.536 14.427 240 1HZ LYS 13 1HZ LYS 13 -6.066 14.438 12.949 241 2HZ LYS 13 2HZ LYS 13 -7.506 13.665 12.518 242 3HZ LYS 13 3HZ LYS 13 -6.269 12.790 13.268 243 H CYS 14 H CYS 14 -3.426 13.615 19.044 244 HA CYS 14 HA CYS 14 -1.691 15.278 20.683 245 1HB CYS 14 1HB CYS 14 -1.680 12.255 20.540 246 2HB CYS 14 2HB CYS 14 -0.819 13.277 21.686 247 H SER 15 H SER 15 0.163 12.897 20.016 248 HA SER 15 HA SER 15 0.895 13.660 17.287 249 1HB SER 15 1HB SER 15 2.284 14.946 18.926 250 2HB SER 15 2HB SER 15 2.902 13.412 19.540 251 HG SER 15 HG SER 15 3.753 13.002 17.474 252 H VAL 16 H VAL 16 1.745 12.042 16.039 253 HA VAL 16 HA VAL 16 1.676 9.357 17.227 254 HB VAL 16 HB VAL 16 1.686 10.051 14.289 255 1HG1 VAL 16 1HG1 VAL 16 1.088 7.530 15.824 256 2HG1 VAL 16 2HG1 VAL 16 2.384 7.803 14.660 257 3HG1 VAL 16 3HG1 VAL 16 0.707 7.748 14.116 258 1HG2 VAL 16 1HG2 VAL 16 -0.832 9.231 14.735 259 2HG2 VAL 16 2HG2 VAL 16 -0.346 10.927 14.754 260 3HG2 VAL 16 3HG2 VAL 16 -0.504 10.038 16.269 261 H ASN 17 H ASN 17 3.274 7.782 16.510 262 HA ASN 17 HA ASN 17 5.917 9.012 16.298 263 1HB ASN 17 1HB ASN 17 5.202 7.193 18.035 264 2HB ASN 17 2HB ASN 17 5.461 6.074 16.701 265 1HD2 ASN 17 1HD2 ASN 17 6.906 6.165 19.150 266 2HD2 ASN 17 2HD2 ASN 17 8.554 6.510 18.765 267 H TRP 18 H TRP 18 4.424 9.117 13.962 268 HA TRP 18 HA TRP 18 4.846 6.978 12.191 269 1HB TRP 18 1HB TRP 18 3.515 9.372 12.074 270 2HB TRP 18 2HB TRP 18 4.854 9.646 10.965 271 HD1 TRP 18 HD1 TRP 18 3.034 6.271 11.375 272 HE1 TRP 18 HE1 TRP 18 1.944 5.667 9.123 273 HE3 TRP 18 HE3 TRP 18 4.053 10.568 8.801 274 HZ2 TRP 18 HZ2 TRP 18 1.565 6.855 6.591 275 HZ3 TRP 18 HZ3 TRP 18 3.292 10.755 6.468 276 HH2 TRP 18 HH2 TRP 18 2.074 8.935 5.387 277 H GLY 19 H GLY 19 7.023 9.279 13.466 278 1HA GLY 19 1HA GLY 19 8.864 9.630 11.403 279 2HA GLY 19 2HA GLY 19 9.263 9.650 13.115 280 H GLN 20 H GLN 20 9.021 7.205 14.020 281 HA GLN 20 HA GLN 20 11.235 5.822 13.056 282 1HB GLN 20 1HB GLN 20 8.850 4.860 14.645 283 2HB GLN 20 2HB GLN 20 10.246 3.845 14.306 284 1HG GLN 20 1HG GLN 20 10.257 6.432 15.844 285 2HG GLN 20 2HG GLN 20 10.396 4.810 16.520 286 1HE2 GLN 20 1HE2 GLN 20 12.229 7.073 16.688 287 2HE2 GLN 20 2HE2 GLN 20 13.734 6.520 16.044 288 H ALA 21 H ALA 21 7.777 5.052 12.576 289 HA ALA 21 HA ALA 21 8.308 3.074 10.670 290 1HB ALA 21 1HB ALA 21 5.739 4.564 11.008 291 2HB ALA 21 2HB ALA 21 6.214 3.141 11.936 292 3HB ALA 21 3HB ALA 21 5.963 3.011 10.195 293 H PHE 22 H PHE 22 8.669 6.254 10.428 294 HA PHE 22 HA PHE 22 7.860 6.715 7.737 295 1HB PHE 22 1HB PHE 22 8.672 8.394 9.729 296 2HB PHE 22 2HB PHE 22 10.146 8.294 8.775 297 HD1 PHE 22 HD1 PHE 22 7.805 10.496 9.328 298 HD2 PHE 22 HD2 PHE 22 9.112 8.121 6.047 299 HE1 PHE 22 HE1 PHE 22 6.897 12.164 7.764 300 HE2 PHE 22 HE2 PHE 22 8.207 9.786 4.478 301 HZ PHE 22 HZ PHE 22 7.098 11.810 5.335 302 H GLN 23 H GLN 23 10.776 5.787 9.424 303 HA GLN 23 HA GLN 23 12.388 5.488 7.071 304 1HB GLN 23 1HB GLN 23 12.684 5.105 9.961 305 2HB GLN 23 2HB GLN 23 13.501 3.858 9.024 306 1HG GLN 23 1HG GLN 23 15.193 5.327 9.047 307 2HG GLN 23 2HG GLN 23 14.320 6.042 7.694 308 1HE2 GLN 23 1HE2 GLN 23 14.635 6.186 11.211 309 2HE2 GLN 23 2HE2 GLN 23 14.309 7.877 11.348 310 H GLU 24 H GLU 24 10.055 3.617 8.798 311 HA GLU 24 HA GLU 24 10.750 1.047 7.847 312 1HB GLU 24 1HB GLU 24 8.225 2.176 9.014 313 2HB GLU 24 2HB GLU 24 8.352 0.504 8.495 314 1HG GLU 24 1HG GLU 24 10.294 0.258 10.050 315 2HG GLU 24 2HG GLU 24 9.921 1.867 10.665 316 H ARG 25 H ARG 25 8.566 3.571 6.735 317 HA ARG 25 HA ARG 25 7.353 2.084 4.673 318 1HB ARG 25 1HB ARG 25 6.422 4.138 3.929 319 2HB ARG 25 2HB ARG 25 6.493 4.220 5.681 320 1HG ARG 25 1HG ARG 25 7.732 6.051 5.621 321 2HG ARG 25 2HG ARG 25 8.885 5.318 4.512 322 1HD ARG 25 1HD ARG 25 6.268 6.167 3.407 323 2HD ARG 25 2HD ARG 25 7.413 7.431 3.851 324 HE ARG 25 HE ARG 25 8.913 5.745 2.366 325 1HH1 ARG 25 1HH1 ARG 25 5.837 7.299 1.818 326 2HH1 ARG 25 2HH1 ARG 25 6.043 7.383 0.101 327 1HH2 ARG 25 1HH2 ARG 25 9.187 5.854 0.108 328 2HH2 ARG 25 2HH2 ARG 25 7.945 6.561 -0.870 329 H TYR 26 H TYR 26 10.249 3.977 4.847 330 HA TYR 26 HA TYR 26 10.776 4.135 2.073 331 1HB TYR 26 1HB TYR 26 11.820 5.505 3.988 332 2HB TYR 26 2HB TYR 26 12.907 4.137 4.199 333 HD1 TYR 26 HD1 TYR 26 14.962 4.336 3.188 334 HD2 TYR 26 HD2 TYR 26 11.607 6.217 1.369 335 HE1 TYR 26 HE1 TYR 26 16.425 5.222 1.420 336 HE2 TYR 26 HE2 TYR 26 13.060 7.108 -0.403 337 HH TYR 26 HH TYR 26 16.482 6.993 -0.207 338 H THR 27 H THR 27 11.440 1.738 4.524 339 HA THR 27 HA THR 27 13.283 0.226 2.932 340 HB THR 27 HB THR 27 11.719 -0.594 5.389 341 HG1 THR 27 HG1 THR 27 13.011 0.950 6.115 342 1HG2 THR 27 1HG2 THR 27 14.282 -1.835 5.126 343 2HG2 THR 27 2HG2 THR 27 13.292 -2.182 3.710 344 3HG2 THR 27 3HG2 THR 27 12.693 -2.573 5.322 345 H ALA 28 H ALA 28 9.829 0.103 3.602 346 HA ALA 28 HA ALA 28 9.247 -2.387 2.474 347 1HB ALA 28 1HB ALA 28 7.714 0.054 3.117 348 2HB ALA 28 2HB ALA 28 7.414 -1.627 3.559 349 3HB ALA 28 3HB ALA 28 6.983 -1.048 1.949 350 H GLY 29 H GLY 29 9.457 0.825 0.987 351 1HA GLY 29 1HA GLY 29 8.601 0.018 -1.593 352 2HA GLY 29 2HA GLY 29 9.500 1.480 -1.215 353 H ILE 30 H ILE 30 11.871 0.612 -0.304 354 HA ILE 30 HA ILE 30 13.236 -0.126 -2.649 355 HB ILE 30 HB ILE 30 14.262 -0.303 0.185 356 1HG1 ILE 30 1HG1 ILE 30 13.336 1.929 -0.373 357 2HG1 ILE 30 2HG1 ILE 30 15.077 1.966 -0.117 358 1HG2 ILE 30 1HG2 ILE 30 16.220 -0.911 -0.668 359 2HG2 ILE 30 2HG2 ILE 30 16.207 0.453 -1.786 360 3HG2 ILE 30 3HG2 ILE 30 15.441 -1.069 -2.242 361 1HD1 ILE 30 1HD1 ILE 30 14.814 3.286 -1.980 362 2HD1 ILE 30 2HD1 ILE 30 13.530 2.276 -2.645 363 3HD1 ILE 30 3HD1 ILE 30 15.202 1.720 -2.690 364 H ASN 31 H ASN 31 11.894 -2.003 -0.042 365 HA ASN 31 HA ASN 31 13.332 -4.363 -0.243 366 1HB ASN 31 1HB ASN 31 11.042 -3.511 1.101 367 2HB ASN 31 2HB ASN 31 10.493 -4.872 0.128 368 1HD2 ASN 31 1HD2 ASN 31 13.582 -4.230 1.736 369 2HD2 ASN 31 2HD2 ASN 31 13.568 -5.655 2.712 370 H SER 32 H SER 32 10.185 -3.736 -1.811 371 HA SER 32 HA SER 32 10.236 -5.996 -3.463 372 1HB SER 32 1HB SER 32 8.848 -3.358 -4.000 373 2HB SER 32 2HB SER 32 8.445 -4.915 -4.722 374 HG SER 32 HG SER 32 7.152 -4.219 -2.850 375 H PHE 33 H PHE 33 11.546 -2.770 -3.903 376 HA PHE 33 HA PHE 33 12.098 -2.940 -6.656 377 1HB PHE 33 1HB PHE 33 12.930 -1.207 -4.408 378 2HB PHE 33 2HB PHE 33 14.033 -1.260 -5.779 379 HD1 PHE 33 HD1 PHE 33 12.747 -1.091 -8.136 380 HD2 PHE 33 HD2 PHE 33 11.354 0.448 -4.421 381 HE1 PHE 33 HE1 PHE 33 11.332 0.522 -9.339 382 HE2 PHE 33 HE2 PHE 33 9.935 2.064 -5.618 383 HZ PHE 33 HZ PHE 33 9.923 2.103 -8.079 384 H VAL 34 H VAL 34 14.177 -3.551 -3.829 385 HA VAL 34 HA VAL 34 16.502 -4.243 -5.176 386 HB VAL 34 HB VAL 34 15.526 -5.474 -2.592 387 1HG1 VAL 34 1HG1 VAL 34 18.384 -4.976 -2.949 388 2HG1 VAL 34 2HG1 VAL 34 17.722 -6.166 -4.069 389 3HG1 VAL 34 3HG1 VAL 34 17.549 -6.400 -2.330 390 1HG2 VAL 34 1HG2 VAL 34 15.913 -3.554 -1.527 391 2HG2 VAL 34 2HG2 VAL 34 15.951 -2.788 -3.115 392 3HG2 VAL 34 3HG2 VAL 34 17.451 -3.319 -2.357 393 H SER 35 H SER 35 14.497 -6.750 -3.604 394 HA SER 35 HA SER 35 15.497 -8.849 -4.944 395 1HB SER 35 1HB SER 35 13.722 -10.136 -4.114 396 2HB SER 35 2HB SER 35 13.752 -8.760 -3.012 397 HG SER 35 HG SER 35 11.996 -7.918 -3.996 398 H GLY 36 H GLY 36 12.561 -7.141 -5.942 399 1HA GLY 36 1HA GLY 36 11.823 -8.476 -8.162 400 2HA GLY 36 2HA GLY 36 11.942 -6.715 -8.174 401 H VAL 37 H VAL 37 14.627 -6.376 -7.880 402 HA VAL 37 HA VAL 37 15.632 -7.166 -10.464 403 HB VAL 37 HB VAL 37 16.785 -5.228 -8.456 404 1HG1 VAL 37 1HG1 VAL 37 18.621 -5.607 -9.726 405 2HG1 VAL 37 2HG1 VAL 37 17.819 -4.481 -10.822 406 3HG1 VAL 37 3HG1 VAL 37 17.687 -6.219 -11.092 407 1HG2 VAL 37 1HG2 VAL 37 15.975 -3.692 -10.509 408 2HG2 VAL 37 2HG2 VAL 37 14.978 -4.030 -9.095 409 3HG2 VAL 37 3HG2 VAL 37 14.749 -4.958 -10.577 410 H ALA 38 H ALA 38 17.198 -6.753 -7.310 411 HA ALA 38 HA ALA 38 19.164 -8.723 -7.912 412 1HB ALA 38 1HB ALA 38 19.263 -6.432 -6.540 413 2HB ALA 38 2HB ALA 38 20.426 -7.741 -6.332 414 3HB ALA 38 3HB ALA 38 19.075 -7.572 -5.202 415 H SER 39 H SER 39 17.451 -8.257 -4.910 416 HA SER 39 HA SER 39 17.848 -10.804 -3.934 417 1HB SER 39 1HB SER 39 17.096 -8.443 -2.936 418 2HB SER 39 2HB SER 39 15.570 -9.329 -2.849 419 HG SER 39 HG SER 39 16.692 -9.720 -0.966 420 H GLY 40 H GLY 40 15.923 -10.238 -6.496 421 1HA GLY 40 1HA GLY 40 13.744 -11.996 -5.666 422 2HA GLY 40 2HA GLY 40 13.848 -11.115 -7.184 423 H ALA 41 H ALA 41 15.519 -11.884 -8.733 424 HA ALA 41 HA ALA 41 15.372 -14.752 -8.929 425 1HB ALA 41 1HB ALA 41 16.603 -14.254 -11.144 426 2HB ALA 41 2HB ALA 41 16.227 -12.569 -10.784 427 3HB ALA 41 3HB ALA 41 14.924 -13.743 -10.969 428 H GLY 42 H GLY 42 16.781 -14.990 -6.974 429 1HA GLY 42 1HA GLY 42 19.611 -14.447 -7.420 430 2HA GLY 42 2HA GLY 42 18.890 -15.065 -5.943 431 H SER 43 H SER 43 18.937 -16.172 -9.332 432 HA SER 43 HA SER 43 19.711 -18.827 -8.349 433 1HB SER 43 1HB SER 43 17.997 -17.894 -10.571 434 2HB SER 43 2HB SER 43 18.997 -19.308 -10.904 435 HG SER 43 HG SER 43 17.387 -20.296 -9.955 436 H ILE 44 H ILE 44 20.063 -17.468 -11.562 437 HA ILE 44 HA ILE 44 22.894 -17.145 -11.379 438 HB ILE 44 HB ILE 44 22.734 -19.601 -11.503 439 1HG1 ILE 44 1HG1 ILE 44 24.656 -18.305 -12.478 440 2HG1 ILE 44 2HG1 ILE 44 24.428 -19.911 -13.158 441 1HG2 ILE 44 1HG2 ILE 44 22.061 -19.926 -14.256 442 2HG2 ILE 44 2HG2 ILE 44 20.751 -19.087 -13.427 443 3HG2 ILE 44 3HG2 ILE 44 21.318 -20.645 -12.831 444 1HD1 ILE 44 1HD1 ILE 44 24.018 -17.242 -14.405 445 2HD1 ILE 44 2HD1 ILE 44 23.074 -18.614 -14.982 446 3HD1 ILE 44 3HD1 ILE 44 24.834 -18.671 -15.035 447 H GLY 45 H GLY 45 22.437 -15.109 -12.208 448 1HA GLY 45 1HA GLY 45 22.504 -13.634 -13.997 449 2HA GLY 45 2HA GLY 45 22.278 -14.993 -15.087 450 H ARG 46 H ARG 46 20.151 -15.747 -15.504 451 HA ARG 46 HA ARG 46 18.237 -13.706 -15.786 452 1HB ARG 46 1HB ARG 46 18.509 -16.472 -16.528 453 2HB ARG 46 2HB ARG 46 16.889 -16.186 -15.908 454 1HG ARG 46 1HG ARG 46 16.424 -14.580 -17.555 455 2HG ARG 46 2HG ARG 46 18.125 -14.429 -18.002 456 1HD ARG 46 1HD ARG 46 16.719 -17.054 -18.283 457 2HD ARG 46 2HD ARG 46 16.512 -15.804 -19.509 458 HE ARG 46 HE ARG 46 18.838 -17.422 -19.060 459 1HH1 ARG 46 1HH1 ARG 46 17.689 -14.377 -20.318 460 2HH1 ARG 46 2HH1 ARG 46 19.034 -14.167 -21.386 461 1HH2 ARG 46 1HH2 ARG 46 20.611 -17.147 -20.464 462 2HH2 ARG 46 2HH2 ARG 46 20.694 -15.740 -21.469 Start of MODEL 18 1 1H MET -18 1H MET -18 32.159 -26.296 7.481 2 2H MET -18 2H MET -18 32.115 -26.437 5.771 3 3H MET -18 3H MET -18 32.367 -27.829 6.744 4 HA MET -18 HA MET -18 30.112 -27.544 5.791 5 1HB MET -18 1HB MET -18 30.863 -27.993 8.641 6 2HB MET -18 2HB MET -18 29.150 -27.928 8.246 7 1HG MET -18 1HG MET -18 29.276 -30.070 7.717 8 2HG MET -18 2HG MET -18 30.246 -29.602 6.321 9 1HE MET -18 1HE MET -18 30.103 -32.313 8.341 10 2HE MET -18 2HE MET -18 30.181 -31.323 9.798 11 3HE MET -18 3HE MET -18 31.492 -32.440 9.419 12 H ASN -17 H ASN -17 30.816 -24.884 5.624 13 HA ASN -17 HA ASN -17 29.095 -23.377 7.417 14 1HB ASN -17 1HB ASN -17 30.984 -22.580 5.204 15 2HB ASN -17 2HB ASN -17 29.930 -21.420 6.007 16 1HD2 ASN -17 1HD2 ASN -17 32.400 -23.863 6.647 17 2HD2 ASN -17 2HD2 ASN -17 33.085 -23.064 8.018 18 H SER -16 H SER -16 26.994 -23.815 6.934 19 HA SER -16 HA SER -16 26.046 -23.904 4.217 20 1HB SER -16 1HB SER -16 24.446 -23.827 6.785 21 2HB SER -16 2HB SER -16 23.858 -24.309 5.194 22 HG SER -16 HG SER -16 25.338 -26.057 5.271 23 H VAL -15 H VAL -15 25.437 -22.222 3.028 24 HA VAL -15 HA VAL -15 25.115 -19.625 4.327 25 HB VAL -15 HB VAL -15 25.211 -20.196 1.366 26 1HG1 VAL -15 1HG1 VAL -15 24.444 -18.064 1.433 27 2HG1 VAL -15 2HG1 VAL -15 26.162 -17.715 1.629 28 3HG1 VAL -15 3HG1 VAL -15 25.104 -17.759 3.040 29 1HG2 VAL -15 1HG2 VAL -15 27.619 -19.127 1.875 30 2HG2 VAL -15 2HG2 VAL -15 27.322 -20.864 1.833 31 3HG2 VAL -15 3HG2 VAL -15 27.366 -20.013 3.377 32 H LYS -14 H LYS -14 23.285 -22.098 2.801 33 HA LYS -14 HA LYS -14 21.006 -20.391 2.265 34 1HB LYS -14 1HB LYS -14 21.608 -22.407 0.854 35 2HB LYS -14 2HB LYS -14 21.114 -23.412 2.209 36 1HG LYS -14 1HG LYS -14 18.914 -23.059 1.848 37 2HG LYS -14 2HG LYS -14 19.159 -21.398 1.305 38 1HD LYS -14 1HD LYS -14 19.932 -23.805 -0.333 39 2HD LYS -14 2HD LYS -14 18.359 -23.014 -0.457 40 1HE LYS -14 1HE LYS -14 19.285 -21.043 -1.304 41 2HE LYS -14 2HE LYS -14 20.906 -21.460 -0.749 42 1HZ LYS -14 1HZ LYS -14 19.611 -23.197 -2.724 43 2HZ LYS -14 2HZ LYS -14 21.252 -22.848 -2.510 44 3HZ LYS -14 3HZ LYS -14 20.236 -21.713 -3.246 45 H GLU -13 H GLU -13 22.119 -22.688 4.653 46 HA GLU -13 HA GLU -13 19.658 -22.691 6.115 47 1HB GLU -13 1HB GLU -13 22.326 -23.954 6.416 48 2HB GLU -13 2HB GLU -13 21.387 -23.718 7.884 49 1HG GLU -13 1HG GLU -13 19.649 -24.818 5.952 50 2HG GLU -13 2HG GLU -13 21.145 -25.748 5.903 51 H LEU -12 H LEU -12 22.739 -21.070 6.216 52 HA LEU -12 HA LEU -12 22.275 -19.784 8.733 53 1HB LEU -12 1HB LEU -12 24.540 -20.241 7.845 54 2HB LEU -12 2HB LEU -12 24.248 -19.084 6.560 55 HG LEU -12 HG LEU -12 23.886 -17.360 8.424 56 1HD1 LEU -12 1HD1 LEU -12 25.197 -19.577 9.984 57 2HD1 LEU -12 2HD1 LEU -12 23.636 -18.820 10.302 58 3HD1 LEU -12 3HD1 LEU -12 25.123 -17.895 10.514 59 1HD2 LEU -12 1HD2 LEU -12 25.998 -17.900 6.920 60 2HD2 LEU -12 2HD2 LEU -12 26.696 -18.316 8.484 61 3HD2 LEU -12 3HD2 LEU -12 26.055 -16.697 8.207 62 H ASN -11 H ASN -11 21.453 -19.137 5.443 63 HA ASN -11 HA ASN -11 21.026 -16.337 5.762 64 1HB ASN -11 1HB ASN -11 20.679 -18.324 3.626 65 2HB ASN -11 2HB ASN -11 19.505 -17.011 3.595 66 1HD2 ASN -11 1HD2 ASN -11 20.832 -14.846 4.319 67 2HD2 ASN -11 2HD2 ASN -11 22.152 -14.521 3.254 68 H VAL -10 H VAL -10 19.056 -19.201 5.963 69 HA VAL -10 HA VAL -10 16.565 -17.819 6.224 70 HB VAL -10 HB VAL -10 17.172 -20.655 7.064 71 1HG1 VAL -10 1HG1 VAL -10 14.574 -19.441 6.139 72 2HG1 VAL -10 2HG1 VAL -10 15.030 -19.613 7.834 73 3HG1 VAL -10 3HG1 VAL -10 14.831 -21.046 6.825 74 1HG2 VAL -10 1HG2 VAL -10 15.866 -20.322 4.489 75 2HG2 VAL -10 2HG2 VAL -10 17.250 -21.321 4.935 76 3HG2 VAL -10 3HG2 VAL -10 17.485 -19.624 4.518 77 H LYS -9 H LYS -9 19.086 -18.774 8.400 78 HA LYS -9 HA LYS -9 17.770 -18.986 10.818 79 1HB LYS -9 1HB LYS -9 20.444 -18.721 9.949 80 2HB LYS -9 2HB LYS -9 20.203 -17.498 11.188 81 1HG LYS -9 1HG LYS -9 20.921 -19.318 12.406 82 2HG LYS -9 2HG LYS -9 19.166 -19.430 12.559 83 1HD LYS -9 1HD LYS -9 20.274 -20.822 10.226 84 2HD LYS -9 2HD LYS -9 20.806 -21.467 11.779 85 1HE LYS -9 1HE LYS -9 17.918 -20.947 11.111 86 2HE LYS -9 2HE LYS -9 18.711 -22.495 10.819 87 1HZ LYS -9 1HZ LYS -9 17.606 -22.603 12.907 88 2HZ LYS -9 2HZ LYS -9 18.306 -21.158 13.437 89 3HZ LYS -9 3HZ LYS -9 19.267 -22.534 13.224 90 H GLU -8 H GLU -8 18.429 -16.136 8.924 91 HA GLU -8 HA GLU -8 18.118 -14.178 10.896 92 1HB GLU -8 1HB GLU -8 18.843 -13.990 8.393 93 2HB GLU -8 2HB GLU -8 17.126 -13.743 8.107 94 1HG GLU -8 1HG GLU -8 17.140 -11.675 8.979 95 2HG GLU -8 2HG GLU -8 18.291 -12.100 10.246 96 H MET -7 H MET -7 15.773 -15.838 8.907 97 HA MET -7 HA MET -7 13.542 -14.345 9.891 98 1HB MET -7 1HB MET -7 13.864 -16.738 8.120 99 2HB MET -7 2HB MET -7 12.276 -16.319 8.747 100 1HG MET -7 1HG MET -7 12.057 -14.965 7.013 101 2HG MET -7 2HG MET -7 13.268 -13.928 7.764 102 1HE MET -7 1HE MET -7 14.264 -17.551 5.570 103 2HE MET -7 2HE MET -7 13.399 -16.694 4.296 104 3HE MET -7 3HE MET -7 12.616 -16.991 5.847 105 H LYS -6 H LYS -6 14.985 -17.491 10.536 106 HA LYS -6 HA LYS -6 13.034 -18.618 12.148 107 1HB LYS -6 1HB LYS -6 15.651 -19.244 11.413 108 2HB LYS -6 2HB LYS -6 15.700 -19.157 13.168 109 1HG LYS -6 1HG LYS -6 15.125 -21.333 12.948 110 2HG LYS -6 2HG LYS -6 13.505 -20.633 12.913 111 1HD LYS -6 1HD LYS -6 15.003 -20.935 10.353 112 2HD LYS -6 2HD LYS -6 14.272 -22.363 11.087 113 1HE LYS -6 1HE LYS -6 12.275 -21.772 10.317 114 2HE LYS -6 2HE LYS -6 12.387 -20.219 11.144 115 1HZ LYS -6 1HZ LYS -6 12.074 -19.892 8.793 116 2HZ LYS -6 2HZ LYS -6 13.427 -20.840 8.433 117 3HZ LYS -6 3HZ LYS -6 13.620 -19.360 9.229 118 H GLN -5 H GLN -5 15.819 -16.635 13.210 119 HA GLN -5 HA GLN -5 14.722 -16.467 15.872 120 1HB GLN -5 1HB GLN -5 17.196 -15.524 14.513 121 2HB GLN -5 2HB GLN -5 16.734 -14.795 16.042 122 1HG GLN -5 1HG GLN -5 18.177 -16.481 16.687 123 2HG GLN -5 2HG GLN -5 16.591 -17.216 16.906 124 1HE2 GLN -5 1HE2 GLN -5 16.048 -18.979 15.735 125 2HE2 GLN -5 2HE2 GLN -5 17.098 -19.755 14.605 126 H LEU -4 H LEU -4 13.543 -15.188 13.333 127 HA LEU -4 HA LEU -4 13.471 -12.387 14.084 128 1HB LEU -4 1HB LEU -4 13.475 -13.516 11.656 129 2HB LEU -4 2HB LEU -4 11.743 -13.431 11.915 130 HG LEU -4 HG LEU -4 12.820 -10.896 12.604 131 1HD1 LEU -4 1HD1 LEU -4 13.882 -10.209 10.546 132 2HD1 LEU -4 2HD1 LEU -4 13.720 -11.836 9.885 133 3HD1 LEU -4 3HD1 LEU -4 14.781 -11.545 11.264 134 1HD2 LEU -4 1HD2 LEU -4 10.586 -11.796 11.478 135 2HD2 LEU -4 2HD2 LEU -4 11.446 -11.325 10.012 136 3HD2 LEU -4 3HD2 LEU -4 11.140 -10.133 11.275 137 H HIS -3 H HIS -3 11.014 -14.719 13.159 138 HA HIS -3 HA HIS -3 8.829 -14.965 13.787 139 1HB HIS -3 1HB HIS -3 10.219 -16.008 15.644 140 2HB HIS -3 2HB HIS -3 9.901 -14.547 16.576 141 HD1 HIS -3 HD1 HIS -3 8.906 -17.156 17.703 142 HD2 HIS -3 HD2 HIS -3 6.639 -14.797 15.142 143 HE1 HIS -3 HE1 HIS -3 6.515 -17.803 18.134 144 HE2 HIS -3 HE2 HIS -3 5.156 -16.297 16.640 145 H GLY -2 H GLY -2 9.652 -12.237 13.205 146 1HA GLY -2 1HA GLY -2 8.450 -10.251 13.124 147 2HA GLY -2 2HA GLY -2 7.349 -10.901 14.329 148 H GLY -1 H GLY -1 7.672 -8.501 14.933 149 1HA GLY -1 1HA GLY -1 9.262 -8.456 17.308 150 2HA GLY -1 2HA GLY -1 9.964 -7.460 16.041 151 H VAL 1 H VAL 1 8.100 -7.330 18.701 152 HA VAL 1 HA VAL 1 6.109 -5.449 17.779 153 HB VAL 1 HB VAL 1 6.844 -6.129 20.629 154 1HG1 VAL 1 1HG1 VAL 1 5.556 -4.153 20.608 155 2HG1 VAL 1 2HG1 VAL 1 4.424 -5.453 20.984 156 3HG1 VAL 1 3HG1 VAL 1 4.479 -4.774 19.357 157 1HG2 VAL 1 1HG2 VAL 1 5.930 -7.928 18.793 158 2HG2 VAL 1 2HG2 VAL 1 4.425 -7.329 19.491 159 3HG2 VAL 1 3HG2 VAL 1 5.661 -8.034 20.532 160 H ASN 2 H ASN 2 5.914 -3.279 18.664 161 HA ASN 2 HA ASN 2 8.482 -2.081 19.451 162 1HB ASN 2 1HB ASN 2 6.674 -1.297 17.192 163 2HB ASN 2 2HB ASN 2 7.631 -0.065 18.010 164 1HD2 ASN 2 1HD2 ASN 2 7.778 -3.036 16.163 165 2HD2 ASN 2 2HD2 ASN 2 9.398 -2.832 15.604 166 H TYR 3 H TYR 3 6.718 -2.712 21.356 167 HA TYR 3 HA TYR 3 5.564 -1.877 23.127 168 1HB TYR 3 1HB TYR 3 6.347 0.855 22.105 169 2HB TYR 3 2HB TYR 3 5.924 0.413 23.755 170 HD1 TYR 3 HD1 TYR 3 7.471 -1.743 24.555 171 HD2 TYR 3 HD2 TYR 3 8.578 1.319 21.817 172 HE1 TYR 3 HE1 TYR 3 9.842 -2.162 25.054 173 HE2 TYR 3 HE2 TYR 3 10.952 0.909 22.308 174 HH TYR 3 HH TYR 3 12.381 -0.819 23.180 175 H GLY 4 H GLY 4 3.617 -2.646 22.077 176 1HA GLY 4 1HA GLY 4 1.556 -0.747 22.049 177 2HA GLY 4 2HA GLY 4 2.021 -1.062 20.385 178 H ASN 5 H ASN 5 1.960 -3.337 23.093 179 HA ASN 5 HA ASN 5 0.649 -5.331 21.582 180 1HB ASN 5 1HB ASN 5 1.547 -5.013 24.386 181 2HB ASN 5 2HB ASN 5 0.258 -6.183 24.116 182 1HD2 ASN 5 1HD2 ASN 5 0.668 -7.740 22.309 183 2HD2 ASN 5 2HD2 ASN 5 2.271 -8.366 22.159 184 H GLY 6 H GLY 6 -0.523 -2.657 23.380 185 1HA GLY 6 1HA GLY 6 -3.129 -2.813 22.496 186 2HA GLY 6 2HA GLY 6 -3.103 -3.695 24.016 187 H VAL 7 H VAL 7 -2.059 -0.587 22.624 188 HA VAL 7 HA VAL 7 -1.953 0.748 25.131 189 HB VAL 7 HB VAL 7 -2.345 2.125 22.483 190 1HG1 VAL 7 1HG1 VAL 7 -2.404 3.681 24.230 191 2HG1 VAL 7 2HG1 VAL 7 -0.743 3.750 23.639 192 3HG1 VAL 7 3HG1 VAL 7 -1.116 2.866 25.119 193 1HG2 VAL 7 1HG2 VAL 7 -0.043 0.540 23.434 194 2HG2 VAL 7 2HG2 VAL 7 0.330 2.118 22.740 195 3HG2 VAL 7 3HG2 VAL 7 -0.557 0.924 21.791 196 H SER 8 H SER 8 -3.317 2.621 25.709 197 HA SER 8 HA SER 8 -6.138 2.025 25.151 198 1HB SER 8 1HB SER 8 -6.680 2.936 27.264 199 2HB SER 8 2HB SER 8 -5.206 2.009 27.543 200 HG SER 8 HG SER 8 -4.091 4.084 27.202 201 H CYS 9 H CYS 9 -7.370 3.424 24.071 202 HA CYS 9 HA CYS 9 -6.261 6.095 23.512 203 1HB CYS 9 1HB CYS 9 -8.380 4.747 21.852 204 2HB CYS 9 2HB CYS 9 -7.302 6.063 21.399 205 H SER 10 H SER 10 -7.221 7.664 24.619 206 HA SER 10 HA SER 10 -10.037 8.038 24.573 207 1HB SER 10 1HB SER 10 -10.304 7.969 27.103 208 2HB SER 10 2HB SER 10 -10.178 6.406 26.296 209 HG SER 10 HG SER 10 -8.066 7.788 27.599 210 H LYS 11 H LYS 11 -10.083 10.141 24.227 211 HA LYS 11 HA LYS 11 -9.745 12.377 24.411 212 1HB LYS 11 1HB LYS 11 -10.329 11.651 26.812 213 2HB LYS 11 2HB LYS 11 -8.623 11.911 27.144 214 1HG LYS 11 1HG LYS 11 -8.874 14.123 27.222 215 2HG LYS 11 2HG LYS 11 -9.818 14.147 25.732 216 1HD LYS 11 1HD LYS 11 -11.181 14.988 27.526 217 2HD LYS 11 2HD LYS 11 -11.798 13.408 27.038 218 1HE LYS 11 1HE LYS 11 -11.286 12.454 29.014 219 2HE LYS 11 2HE LYS 11 -9.780 13.357 29.175 220 1HZ LYS 11 1HZ LYS 11 -11.928 13.797 30.678 221 2HZ LYS 11 2HZ LYS 11 -12.218 14.911 29.439 222 3HZ LYS 11 3HZ LYS 11 -10.780 14.990 30.327 223 H THR 12 H THR 12 -7.287 10.304 24.130 224 HA THR 12 HA THR 12 -5.397 12.402 23.648 225 HB THR 12 HB THR 12 -5.027 11.796 26.006 226 HG1 THR 12 HG1 THR 12 -3.286 12.425 24.494 227 1HG2 THR 12 1HG2 THR 12 -5.066 9.698 26.630 228 2HG2 THR 12 2HG2 THR 12 -3.618 9.401 25.668 229 3HG2 THR 12 3HG2 THR 12 -5.214 9.188 24.952 230 H LYS 13 H LYS 13 -6.871 10.475 22.039 231 HA LYS 13 HA LYS 13 -6.566 8.978 20.341 232 1HB LYS 13 1HB LYS 13 -4.898 11.093 19.984 233 2HB LYS 13 2HB LYS 13 -3.756 9.757 19.922 234 1HG LYS 13 1HG LYS 13 -4.349 10.018 17.710 235 2HG LYS 13 2HG LYS 13 -5.422 8.721 18.238 236 1HD LYS 13 1HD LYS 13 -6.598 11.325 18.706 237 2HD LYS 13 2HD LYS 13 -6.159 11.111 17.010 238 1HE LYS 13 1HE LYS 13 -7.326 8.830 17.209 239 2HE LYS 13 2HE LYS 13 -8.031 9.476 18.691 240 1HZ LYS 13 1HZ LYS 13 -8.218 10.985 16.165 241 2HZ LYS 13 2HZ LYS 13 -9.210 11.073 17.532 242 3HZ LYS 13 3HZ LYS 13 -9.311 9.736 16.499 243 H CYS 14 H CYS 14 -4.218 7.676 19.425 244 HA CYS 14 HA CYS 14 -3.735 5.843 21.623 245 1HB CYS 14 1HB CYS 14 -3.494 5.289 18.657 246 2HB CYS 14 2HB CYS 14 -3.474 4.114 19.968 247 H SER 15 H SER 15 -1.708 4.836 19.513 248 HA SER 15 HA SER 15 0.422 6.781 20.041 249 1HB SER 15 1HB SER 15 0.684 5.026 21.700 250 2HB SER 15 2HB SER 15 0.608 3.787 20.447 251 HG SER 15 HG SER 15 2.563 4.491 19.654 252 H VAL 16 H VAL 16 0.572 7.520 17.970 253 HA VAL 16 HA VAL 16 0.971 5.567 15.819 254 HB VAL 16 HB VAL 16 0.620 8.551 15.538 255 1HG1 VAL 16 1HG1 VAL 16 1.581 7.720 13.571 256 2HG1 VAL 16 2HG1 VAL 16 -0.146 7.786 13.223 257 3HG1 VAL 16 3HG1 VAL 16 0.616 6.245 13.618 258 1HG2 VAL 16 1HG2 VAL 16 -1.499 6.427 15.241 259 2HG2 VAL 16 2HG2 VAL 16 -1.706 8.170 15.069 260 3HG2 VAL 16 3HG2 VAL 16 -1.329 7.479 16.647 261 H ASN 17 H ASN 17 2.680 5.973 14.240 262 HA ASN 17 HA ASN 17 4.975 7.443 15.345 263 1HB ASN 17 1HB ASN 17 4.939 4.627 14.263 264 2HB ASN 17 2HB ASN 17 6.421 5.569 14.399 265 1HD2 ASN 17 1HD2 ASN 17 6.832 6.500 16.592 266 2HD2 ASN 17 2HD2 ASN 17 6.471 5.499 17.953 267 H TRP 18 H TRP 18 4.089 9.042 13.785 268 HA TRP 18 HA TRP 18 4.191 8.514 10.998 269 1HB TRP 18 1HB TRP 18 3.545 10.771 12.723 270 2HB TRP 18 2HB TRP 18 4.402 11.267 11.267 271 HD1 TRP 18 HD1 TRP 18 1.564 8.660 11.813 272 HE1 TRP 18 HE1 TRP 18 -0.291 9.151 10.100 273 HE3 TRP 18 HE3 TRP 18 3.611 12.764 9.551 274 HZ2 TRP 18 HZ2 TRP 18 -0.819 11.029 8.059 275 HZ3 TRP 18 HZ3 TRP 18 2.367 13.848 7.727 276 HH2 TRP 18 HH2 TRP 18 0.198 12.996 6.996 277 H GLY 19 H GLY 19 6.645 8.929 13.244 278 1HA GLY 19 1HA GLY 19 8.490 10.011 11.213 279 2HA GLY 19 2HA GLY 19 8.760 10.069 12.949 280 H GLN 20 H GLN 20 8.560 7.674 13.911 281 HA GLN 20 HA GLN 20 10.849 6.309 13.105 282 1HB GLN 20 1HB GLN 20 9.234 6.118 15.243 283 2HB GLN 20 2HB GLN 20 8.666 4.716 14.348 284 1HG GLN 20 1HG GLN 20 11.558 4.844 14.446 285 2HG GLN 20 2HG GLN 20 10.835 4.824 16.054 286 1HE2 GLN 20 1HE2 GLN 20 12.300 2.845 14.183 287 2HE2 GLN 20 2HE2 GLN 20 11.361 1.402 14.335 288 H ALA 21 H ALA 21 7.483 5.126 12.667 289 HA ALA 21 HA ALA 21 8.294 3.221 10.779 290 1HB ALA 21 1HB ALA 21 6.142 2.509 10.648 291 2HB ALA 21 2HB ALA 21 5.490 4.147 10.729 292 3HB ALA 21 3HB ALA 21 6.091 3.364 12.191 293 H PHE 22 H PHE 22 8.294 6.375 10.472 294 HA PHE 22 HA PHE 22 7.342 6.718 7.807 295 1HB PHE 22 1HB PHE 22 7.990 8.483 9.774 296 2HB PHE 22 2HB PHE 22 9.453 8.548 8.798 297 HD1 PHE 22 HD1 PHE 22 9.491 10.380 7.431 298 HD2 PHE 22 HD2 PHE 22 5.803 8.344 8.032 299 HE1 PHE 22 HE1 PHE 22 8.387 11.927 5.869 300 HE2 PHE 22 HE2 PHE 22 4.692 9.886 6.470 301 HZ PHE 22 HZ PHE 22 5.985 11.680 5.386 302 H GLN 23 H GLN 23 10.359 6.112 9.442 303 HA GLN 23 HA GLN 23 11.965 5.987 7.066 304 1HB GLN 23 1HB GLN 23 12.349 5.791 9.954 305 2HB GLN 23 2HB GLN 23 13.287 4.582 9.083 306 1HG GLN 23 1HG GLN 23 14.542 6.649 9.489 307 2HG GLN 23 2HG GLN 23 14.364 6.288 7.773 308 1HE2 GLN 23 1HE2 GLN 23 13.777 7.910 6.529 309 2HE2 GLN 23 2HE2 GLN 23 12.955 9.341 7.039 310 H GLU 24 H GLU 24 9.902 3.878 8.852 311 HA GLU 24 HA GLU 24 10.950 1.380 8.081 312 1HB GLU 24 1HB GLU 24 8.276 2.302 9.066 313 2HB GLU 24 2HB GLU 24 8.501 0.646 8.526 314 1HG GLU 24 1HG GLU 24 10.393 1.782 10.522 315 2HG GLU 24 2HG GLU 24 8.781 1.294 11.041 316 H ARG 25 H ARG 25 8.370 3.397 6.717 317 HA ARG 25 HA ARG 25 7.600 1.684 4.654 318 1HB ARG 25 1HB ARG 25 7.403 4.628 5.107 319 2HB ARG 25 2HB ARG 25 7.006 3.990 3.518 320 1HG ARG 25 1HG ARG 25 5.763 2.690 5.875 321 2HG ARG 25 2HG ARG 25 5.185 4.291 5.408 322 1HD ARG 25 1HD ARG 25 4.812 3.446 3.116 323 2HD ARG 25 2HD ARG 25 5.303 1.840 3.653 324 HE ARG 25 HE ARG 25 3.288 2.526 5.353 325 1HH1 ARG 25 1HH1 ARG 25 3.599 2.338 1.882 326 2HH1 ARG 25 2HH1 ARG 25 1.930 1.954 1.628 327 1HH2 ARG 25 1HH2 ARG 25 1.091 2.018 5.020 328 2HH2 ARG 25 2HH2 ARG 25 0.506 1.772 3.408 329 H TYR 26 H TYR 26 10.318 3.803 4.949 330 HA TYR 26 HA TYR 26 11.012 4.017 2.229 331 1HB TYR 26 1HB TYR 26 12.024 4.979 4.639 332 2HB TYR 26 2HB TYR 26 13.316 3.963 4.008 333 HD1 TYR 26 HD1 TYR 26 10.932 6.574 2.784 334 HD2 TYR 26 HD2 TYR 26 14.871 4.972 2.638 335 HE1 TYR 26 HE1 TYR 26 11.609 8.391 1.271 336 HE2 TYR 26 HE2 TYR 26 15.559 6.785 1.127 337 HH TYR 26 HH TYR 26 14.809 9.124 0.595 338 H THR 27 H THR 27 11.847 1.674 4.731 339 HA THR 27 HA THR 27 13.663 0.185 3.120 340 HB THR 27 HB THR 27 12.138 -0.640 5.602 341 HG1 THR 27 HG1 THR 27 13.893 0.062 6.707 342 1HG2 THR 27 1HG2 THR 27 14.763 -1.804 4.819 343 2HG2 THR 27 2HG2 THR 27 13.282 -2.446 4.107 344 3HG2 THR 27 3HG2 THR 27 13.498 -2.462 5.858 345 H ALA 28 H ALA 28 10.218 -0.002 3.786 346 HA ALA 28 HA ALA 28 9.704 -2.522 2.665 347 1HB ALA 28 1HB ALA 28 7.620 -0.463 2.332 348 2HB ALA 28 2HB ALA 28 8.203 -0.713 3.978 349 3HB ALA 28 3HB ALA 28 7.529 -2.065 3.066 350 H GLY 29 H GLY 29 9.857 0.699 1.216 351 1HA GLY 29 1HA GLY 29 8.912 -0.039 -1.346 352 2HA GLY 29 2HA GLY 29 9.874 1.384 -0.977 353 H ILE 30 H ILE 30 12.229 0.368 -0.118 354 HA ILE 30 HA ILE 30 13.522 -0.336 -2.510 355 HB ILE 30 HB ILE 30 14.571 -0.709 0.297 356 1HG1 ILE 30 1HG1 ILE 30 14.649 1.693 -1.542 357 2HG1 ILE 30 2HG1 ILE 30 13.816 1.579 0.005 358 1HG2 ILE 30 1HG2 ILE 30 15.792 -1.816 -1.626 359 2HG2 ILE 30 2HG2 ILE 30 16.741 -0.706 -0.637 360 3HG2 ILE 30 3HG2 ILE 30 16.142 -0.191 -2.215 361 1HD1 ILE 30 1HD1 ILE 30 16.281 1.025 0.832 362 2HD1 ILE 30 2HD1 ILE 30 15.668 2.672 0.690 363 3HD1 ILE 30 3HD1 ILE 30 16.678 1.995 -0.587 364 H ASN 31 H ASN 31 12.142 -2.253 0.056 365 HA ASN 31 HA ASN 31 13.422 -4.684 -0.301 366 1HB ASN 31 1HB ASN 31 10.887 -3.775 0.848 367 2HB ASN 31 2HB ASN 31 10.811 -5.419 0.223 368 1HD2 ASN 31 1HD2 ASN 31 12.552 -3.282 2.401 369 2HD2 ASN 31 2HD2 ASN 31 13.126 -4.522 3.455 370 H SER 32 H SER 32 10.232 -3.869 -1.687 371 HA SER 32 HA SER 32 10.130 -6.010 -3.474 372 1HB SER 32 1HB SER 32 8.876 -3.330 -4.055 373 2HB SER 32 2HB SER 32 8.274 -4.935 -4.469 374 HG SER 32 HG SER 32 7.963 -3.493 -2.172 375 H PHE 33 H PHE 33 11.673 -2.894 -3.708 376 HA PHE 33 HA PHE 33 12.138 -2.870 -6.489 377 1HB PHE 33 1HB PHE 33 12.503 -0.779 -5.642 378 2HB PHE 33 2HB PHE 33 13.135 -1.391 -4.120 379 HD1 PHE 33 HD1 PHE 33 14.022 -0.916 -7.696 380 HD2 PHE 33 HD2 PHE 33 15.417 -1.374 -3.701 381 HE1 PHE 33 HE1 PHE 33 16.307 -0.388 -8.437 382 HE2 PHE 33 HE2 PHE 33 17.706 -0.847 -4.436 383 HZ PHE 33 HZ PHE 33 18.153 -0.354 -6.807 384 H VAL 34 H VAL 34 14.149 -3.920 -3.750 385 HA VAL 34 HA VAL 34 16.427 -4.661 -5.154 386 HB VAL 34 HB VAL 34 15.324 -6.108 -2.740 387 1HG1 VAL 34 1HG1 VAL 34 17.126 -7.357 -3.564 388 2HG1 VAL 34 2HG1 VAL 34 17.831 -6.356 -2.296 389 3HG1 VAL 34 3HG1 VAL 34 18.048 -5.915 -3.989 390 1HG2 VAL 34 1HG2 VAL 34 15.555 -4.206 -1.612 391 2HG2 VAL 34 2HG2 VAL 34 16.217 -3.387 -3.026 392 3HG2 VAL 34 3HG2 VAL 34 17.286 -4.275 -1.942 393 H SER 35 H SER 35 14.060 -7.046 -3.930 394 HA SER 35 HA SER 35 14.888 -9.150 -5.377 395 1HB SER 35 1HB SER 35 13.130 -9.203 -3.588 396 2HB SER 35 2HB SER 35 11.992 -8.568 -4.772 397 HG SER 35 HG SER 35 11.909 -10.458 -5.740 398 H GLY 36 H GLY 36 12.450 -6.838 -6.461 399 1HA GLY 36 1HA GLY 36 11.689 -7.929 -8.838 400 2HA GLY 36 2HA GLY 36 12.057 -6.209 -8.683 401 H VAL 37 H VAL 37 14.697 -6.243 -8.147 402 HA VAL 37 HA VAL 37 15.850 -7.017 -10.674 403 HB VAL 37 HB VAL 37 17.040 -5.349 -8.461 404 1HG1 VAL 37 1HG1 VAL 37 17.896 -5.721 -11.333 405 2HG1 VAL 37 2HG1 VAL 37 18.719 -6.369 -9.915 406 3HG1 VAL 37 3HG1 VAL 37 18.638 -4.625 -10.166 407 1HG2 VAL 37 1HG2 VAL 37 14.916 -4.515 -9.679 408 2HG2 VAL 37 2HG2 VAL 37 15.994 -4.272 -11.054 409 3HG2 VAL 37 3HG2 VAL 37 16.298 -3.429 -9.535 410 H ALA 38 H ALA 38 17.057 -7.013 -7.334 411 HA ALA 38 HA ALA 38 18.927 -9.083 -7.891 412 1HB ALA 38 1HB ALA 38 20.041 -8.364 -6.077 413 2HB ALA 38 2HB ALA 38 18.571 -8.184 -5.109 414 3HB ALA 38 3HB ALA 38 19.014 -6.946 -6.291 415 H SER 39 H SER 39 16.891 -8.759 -5.082 416 HA SER 39 HA SER 39 16.985 -11.412 -4.345 417 1HB SER 39 1HB SER 39 16.194 -9.058 -3.250 418 2HB SER 39 2HB SER 39 14.687 -9.978 -3.326 419 HG SER 39 HG SER 39 16.213 -10.220 -1.417 420 H GLY 40 H GLY 40 15.474 -10.485 -7.050 421 1HA GLY 40 1HA GLY 40 12.964 -11.854 -6.741 422 2HA GLY 40 2HA GLY 40 13.630 -11.217 -8.236 423 H ALA 41 H ALA 41 15.735 -12.496 -8.895 424 HA ALA 41 HA ALA 41 16.535 -14.427 -9.796 425 1HB ALA 41 1HB ALA 41 17.128 -16.019 -8.290 426 2HB ALA 41 2HB ALA 41 15.530 -16.069 -7.545 427 3HB ALA 41 3HB ALA 41 16.643 -14.756 -7.158 428 H GLY 42 H GLY 42 13.847 -13.657 -10.484 429 1HA GLY 42 1HA GLY 42 12.629 -16.310 -10.945 430 2HA GLY 42 2HA GLY 42 11.710 -14.818 -10.813 431 H SER 43 H SER 43 13.886 -13.457 -12.451 432 HA SER 43 HA SER 43 13.363 -14.662 -15.068 433 1HB SER 43 1HB SER 43 12.859 -11.749 -14.412 434 2HB SER 43 2HB SER 43 12.742 -12.475 -16.014 435 HG SER 43 HG SER 43 10.830 -13.175 -15.519 436 H ILE 44 H ILE 44 15.737 -14.613 -13.467 437 HA ILE 44 HA ILE 44 17.482 -12.607 -14.572 438 HB ILE 44 HB ILE 44 19.229 -13.974 -13.328 439 1HG1 ILE 44 1HG1 ILE 44 17.171 -15.128 -11.595 440 2HG1 ILE 44 2HG1 ILE 44 17.247 -15.863 -13.195 441 1HG2 ILE 44 1HG2 ILE 44 17.236 -13.113 -11.339 442 2HG2 ILE 44 2HG2 ILE 44 17.693 -11.925 -12.560 443 3HG2 ILE 44 3HG2 ILE 44 18.926 -12.646 -11.526 444 1HD1 ILE 44 1HD1 ILE 44 18.634 -16.959 -11.421 445 2HD1 ILE 44 2HD1 ILE 44 19.653 -15.520 -11.433 446 3HD1 ILE 44 3HD1 ILE 44 19.501 -16.504 -12.889 447 H GLY 45 H GLY 45 16.498 -13.870 -16.706 448 1HA GLY 45 1HA GLY 45 17.795 -14.491 -18.653 449 2HA GLY 45 2HA GLY 45 18.773 -15.513 -17.612 450 H ARG 46 H ARG 46 15.301 -15.424 -17.323 451 HA ARG 46 HA ARG 46 13.696 -17.005 -17.639 452 1HB ARG 46 1HB ARG 46 14.246 -16.611 -20.015 453 2HB ARG 46 2HB ARG 46 15.468 -17.872 -19.930 454 1HG ARG 46 1HG ARG 46 13.422 -19.322 -19.114 455 2HG ARG 46 2HG ARG 46 12.510 -18.097 -19.999 456 1HD ARG 46 1HD ARG 46 12.957 -19.876 -21.515 457 2HD ARG 46 2HD ARG 46 14.007 -18.531 -21.961 458 HE ARG 46 HE ARG 46 15.242 -20.418 -20.180 459 1HH1 ARG 46 1HH1 ARG 46 14.554 -19.666 -23.517 460 2HH1 ARG 46 2HH1 ARG 46 15.879 -20.597 -24.131 461 1HH2 ARG 46 1HH2 ARG 46 16.986 -21.644 -20.983 462 2HH2 ARG 46 2HH2 ARG 46 17.258 -21.723 -22.692 Start of MODEL 19 1 1H MET -18 1H MET -18 11.360 -27.190 18.102 2 2H MET -18 2H MET -18 11.089 -25.540 18.485 3 3H MET -18 3H MET -18 12.205 -26.465 19.405 4 HA MET -18 HA MET -18 13.433 -26.804 17.268 5 1HB MET -18 1HB MET -18 11.313 -24.848 16.548 6 2HB MET -18 2HB MET -18 12.918 -24.556 15.892 7 1HG MET -18 1HG MET -18 12.921 -26.557 14.692 8 2HG MET -18 2HG MET -18 11.584 -27.223 15.628 9 1HE MET -18 1HE MET -18 10.209 -27.660 12.709 10 2HE MET -18 2HE MET -18 11.960 -27.471 12.803 11 3HE MET -18 3HE MET -18 11.023 -26.468 11.695 12 H ASN -17 H ASN -17 15.328 -26.226 18.095 13 HA ASN -17 HA ASN -17 15.567 -23.806 19.687 14 1HB ASN -17 1HB ASN -17 16.671 -26.262 19.987 15 2HB ASN -17 2HB ASN -17 17.976 -25.436 19.142 16 1HD2 ASN -17 1HD2 ASN -17 18.151 -23.034 20.071 17 2HD2 ASN -17 2HD2 ASN -17 18.346 -22.985 21.787 18 H SER -16 H SER -16 15.866 -21.964 18.615 19 HA SER -16 HA SER -16 16.947 -21.792 16.005 20 1HB SER -16 1HB SER -16 17.036 -19.290 16.568 21 2HB SER -16 2HB SER -16 15.454 -20.066 16.623 22 HG SER -16 HG SER -16 15.348 -19.462 18.620 23 H VAL -15 H VAL -15 19.002 -22.474 15.710 24 HA VAL -15 HA VAL -15 21.073 -21.602 17.578 25 HB VAL -15 HB VAL -15 21.371 -23.461 15.218 26 1HG1 VAL -15 1HG1 VAL -15 23.398 -24.199 16.471 27 2HG1 VAL -15 2HG1 VAL -15 23.136 -22.857 17.585 28 3HG1 VAL -15 3HG1 VAL -15 23.475 -22.537 15.884 29 1HG2 VAL -15 1HG2 VAL -15 21.412 -24.597 17.925 30 2HG2 VAL -15 2HG2 VAL -15 20.685 -25.217 16.444 31 3HG2 VAL -15 3HG2 VAL -15 19.840 -23.999 17.398 32 H LYS -14 H LYS -14 19.872 -21.009 14.401 33 HA LYS -14 HA LYS -14 22.243 -19.573 13.553 34 1HB LYS -14 1HB LYS -14 20.942 -20.796 11.873 35 2HB LYS -14 2HB LYS -14 19.515 -19.845 12.265 36 1HG LYS -14 1HG LYS -14 20.112 -18.482 10.622 37 2HG LYS -14 2HG LYS -14 21.435 -17.945 11.659 38 1HD LYS -14 1HD LYS -14 21.895 -20.436 10.139 39 2HD LYS -14 2HD LYS -14 21.792 -18.953 9.189 40 1HE LYS -14 1HE LYS -14 23.406 -18.370 11.423 41 2HE LYS -14 2HE LYS -14 23.951 -19.927 10.801 42 1HZ LYS -14 1HZ LYS -14 23.474 -17.823 8.842 43 2HZ LYS -14 2HZ LYS -14 24.677 -19.010 8.882 44 3HZ LYS -14 3HZ LYS -14 24.820 -17.629 9.847 45 H GLU -13 H GLU -13 19.068 -18.953 14.860 46 HA GLU -13 HA GLU -13 19.247 -16.111 14.559 47 1HB GLU -13 1HB GLU -13 17.130 -17.721 14.779 48 2HB GLU -13 2HB GLU -13 17.339 -17.335 16.482 49 1HG GLU -13 1HG GLU -13 17.450 -14.869 15.524 50 2HG GLU -13 2HG GLU -13 16.507 -15.604 14.228 51 H LEU -12 H LEU -12 19.840 -18.507 17.012 52 HA LEU -12 HA LEU -12 20.270 -16.618 19.124 53 1HB LEU -12 1HB LEU -12 19.522 -18.862 19.646 54 2HB LEU -12 2HB LEU -12 20.945 -19.547 18.887 55 HG LEU -12 HG LEU -12 22.339 -18.421 20.636 56 1HD1 LEU -12 1HD1 LEU -12 19.648 -17.517 21.484 57 2HD1 LEU -12 2HD1 LEU -12 21.209 -16.700 21.591 58 3HD1 LEU -12 3HD1 LEU -12 20.793 -17.964 22.749 59 1HD2 LEU -12 1HD2 LEU -12 21.842 -20.043 22.365 60 2HD2 LEU -12 2HD2 LEU -12 21.687 -20.790 20.776 61 3HD2 LEU -12 3HD2 LEU -12 20.244 -20.326 21.674 62 H ASN -11 H ASN -11 22.195 -18.005 16.615 63 HA ASN -11 HA ASN -11 24.709 -17.444 17.858 64 1HB ASN -11 1HB ASN -11 23.808 -18.590 15.287 65 2HB ASN -11 2HB ASN -11 25.374 -17.785 15.267 66 1HD2 ASN -11 1HD2 ASN -11 26.458 -18.375 17.636 67 2HD2 ASN -11 2HD2 ASN -11 26.662 -20.081 17.815 68 H VAL -10 H VAL -10 22.687 -15.953 15.432 69 HA VAL -10 HA VAL -10 24.529 -13.858 14.802 70 HB VAL -10 HB VAL -10 22.842 -14.583 13.182 71 1HG1 VAL -10 1HG1 VAL -10 20.505 -13.297 13.951 72 2HG1 VAL -10 2HG1 VAL -10 21.051 -14.126 15.408 73 3HG1 VAL -10 3HG1 VAL -10 20.794 -15.036 13.921 74 1HG2 VAL -10 1HG2 VAL -10 23.787 -12.200 13.308 75 2HG2 VAL -10 2HG2 VAL -10 22.191 -11.744 13.903 76 3HG2 VAL -10 3HG2 VAL -10 22.361 -12.472 12.306 77 H LYS -9 H LYS -9 22.034 -14.314 17.178 78 HA LYS -9 HA LYS -9 21.438 -11.661 17.813 79 1HB LYS -9 1HB LYS -9 20.871 -14.228 18.874 80 2HB LYS -9 2HB LYS -9 21.472 -13.246 20.202 81 1HG LYS -9 1HG LYS -9 19.257 -12.759 20.333 82 2HG LYS -9 2HG LYS -9 19.770 -11.488 19.220 83 1HD LYS -9 1HD LYS -9 17.965 -12.305 18.077 84 2HD LYS -9 2HD LYS -9 19.233 -13.337 17.413 85 1HE LYS -9 1HE LYS -9 17.865 -15.019 17.994 86 2HE LYS -9 2HE LYS -9 18.497 -14.745 19.617 87 1HZ LYS -9 1HZ LYS -9 16.518 -12.970 19.550 88 2HZ LYS -9 2HZ LYS -9 16.324 -14.556 20.104 89 3HZ LYS -9 3HZ LYS -9 15.874 -14.152 18.524 90 H GLU -8 H GLU -8 24.264 -13.544 18.449 91 HA GLU -8 HA GLU -8 25.307 -12.287 20.691 92 1HB GLU -8 1HB GLU -8 26.466 -13.753 18.383 93 2HB GLU -8 2HB GLU -8 27.568 -12.820 19.389 94 1HG GLU -8 1HG GLU -8 27.457 -14.277 21.075 95 2HG GLU -8 2HG GLU -8 25.717 -14.496 20.903 96 H MET -7 H MET -7 26.678 -11.684 17.517 97 HA MET -7 HA MET -7 27.864 -9.261 18.085 98 1HB MET -7 1HB MET -7 27.990 -8.888 15.690 99 2HB MET -7 2HB MET -7 28.301 -10.581 16.048 100 1HG MET -7 1HG MET -7 25.775 -10.886 15.566 101 2HG MET -7 2HG MET -7 25.921 -9.328 14.754 102 1HE MET -7 1HE MET -7 26.567 -12.841 15.059 103 2HE MET -7 2HE MET -7 27.642 -13.353 13.759 104 3HE MET -7 3HE MET -7 25.926 -13.100 13.437 105 H LYS -6 H LYS -6 24.555 -9.908 17.095 106 HA LYS -6 HA LYS -6 23.720 -7.358 16.405 107 1HB LYS -6 1HB LYS -6 22.500 -9.814 16.748 108 2HB LYS -6 2HB LYS -6 21.734 -8.819 17.980 109 1HG LYS -6 1HG LYS -6 20.341 -8.473 16.198 110 2HG LYS -6 2HG LYS -6 21.455 -7.116 16.023 111 1HD LYS -6 1HD LYS -6 21.821 -7.818 13.939 112 2HD LYS -6 2HD LYS -6 22.672 -9.196 14.636 113 1HE LYS -6 1HE LYS -6 19.828 -9.023 13.695 114 2HE LYS -6 2HE LYS -6 21.092 -10.142 13.187 115 1HZ LYS -6 1HZ LYS -6 19.948 -11.491 14.576 116 2HZ LYS -6 2HZ LYS -6 19.370 -10.228 15.541 117 3HZ LYS -6 3HZ LYS -6 20.957 -10.781 15.734 118 H GLN -5 H GLN -5 23.307 -8.864 19.631 119 HA GLN -5 HA GLN -5 22.806 -6.273 20.793 120 1HB GLN -5 1HB GLN -5 22.751 -9.092 21.728 121 2HB GLN -5 2HB GLN -5 22.869 -7.814 22.926 122 1HG GLN -5 1HG GLN -5 20.632 -7.866 22.866 123 2HG GLN -5 2HG GLN -5 20.829 -6.893 21.409 124 1HE2 GLN -5 1HE2 GLN -5 20.530 -7.843 19.397 125 2HE2 GLN -5 2HE2 GLN -5 19.738 -9.367 19.206 126 H LEU -4 H LEU -4 25.505 -7.274 19.709 127 HA LEU -4 HA LEU -4 27.190 -7.040 22.056 128 1HB LEU -4 1HB LEU -4 27.501 -8.560 19.892 129 2HB LEU -4 2HB LEU -4 28.335 -7.129 19.319 130 HG LEU -4 HG LEU -4 29.913 -8.712 20.268 131 1HD1 LEU -4 1HD1 LEU -4 30.304 -6.276 20.506 132 2HD1 LEU -4 2HD1 LEU -4 31.069 -7.239 21.770 133 3HD1 LEU -4 3HD1 LEU -4 29.582 -6.354 22.113 134 1HD2 LEU -4 1HD2 LEU -4 29.763 -9.656 22.350 135 2HD2 LEU -4 2HD2 LEU -4 28.054 -9.538 21.931 136 3HD2 LEU -4 3HD2 LEU -4 28.785 -8.340 22.998 137 H HIS -3 H HIS -3 26.546 -5.370 19.052 138 HA HIS -3 HA HIS -3 28.284 -3.182 19.651 139 1HB HIS -3 1HB HIS -3 27.701 -2.316 17.540 140 2HB HIS -3 2HB HIS -3 27.671 -4.063 17.328 141 HD1 HIS -3 HD1 HIS -3 25.524 -1.048 17.212 142 HD2 HIS -3 HD2 HIS -3 25.072 -5.173 17.006 143 HE1 HIS -3 HE1 HIS -3 23.196 -1.427 16.338 144 HE2 HIS -3 HE2 HIS -3 22.972 -3.929 16.151 145 H GLY -2 H GLY -2 25.008 -3.964 20.311 146 1HA GLY -2 1HA GLY -2 23.463 -2.863 21.623 147 2HA GLY -2 2HA GLY -2 24.675 -1.626 21.924 148 H GLY -1 H GLY -1 22.416 -2.785 19.438 149 1HA GLY -1 1HA GLY -1 22.404 -0.136 18.207 150 2HA GLY -1 2HA GLY -1 21.640 -1.581 17.566 151 H VAL 1 H VAL 1 20.021 0.322 17.278 152 HA VAL 1 HA VAL 1 18.453 0.905 19.643 153 HB VAL 1 HB VAL 1 18.789 2.641 17.932 154 1HG1 VAL 1 1HG1 VAL 1 17.194 0.794 16.163 155 2HG1 VAL 1 2HG1 VAL 1 18.872 1.287 15.941 156 3HG1 VAL 1 3HG1 VAL 1 17.576 2.473 15.783 157 1HG2 VAL 1 1HG2 VAL 1 15.878 1.891 17.977 158 2HG2 VAL 1 2HG2 VAL 1 16.596 3.502 17.956 159 3HG2 VAL 1 3HG2 VAL 1 16.723 2.499 19.400 160 H ASN 2 H ASN 2 16.104 0.532 19.675 161 HA ASN 2 HA ASN 2 15.288 -1.854 18.163 162 1HB ASN 2 1HB ASN 2 15.353 -1.450 21.113 163 2HB ASN 2 2HB ASN 2 13.981 -2.328 20.444 164 1HD2 ASN 2 1HD2 ASN 2 14.572 -4.260 21.376 165 2HD2 ASN 2 2HD2 ASN 2 15.934 -5.178 20.840 166 H TYR 3 H TYR 3 14.539 0.451 17.166 167 HA TYR 3 HA TYR 3 12.840 1.915 16.713 168 1HB TYR 3 1HB TYR 3 10.582 0.723 16.573 169 2HB TYR 3 2HB TYR 3 11.896 0.066 15.605 170 HD1 TYR 3 HD1 TYR 3 12.964 -2.057 16.240 171 HD2 TYR 3 HD2 TYR 3 9.628 -0.524 18.391 172 HE1 TYR 3 HE1 TYR 3 12.617 -4.265 17.264 173 HE2 TYR 3 HE2 TYR 3 9.273 -2.728 19.421 174 HH TYR 3 HH TYR 3 10.129 -5.381 18.434 175 H GLY 4 H GLY 4 13.192 3.214 18.617 176 1HA GLY 4 1HA GLY 4 10.810 3.688 20.064 177 2HA GLY 4 2HA GLY 4 11.949 2.826 21.087 178 H ASN 5 H ASN 5 11.509 5.746 19.147 179 HA ASN 5 HA ASN 5 13.854 7.074 19.855 180 1HB ASN 5 1HB ASN 5 11.419 7.711 18.504 181 2HB ASN 5 2HB ASN 5 11.775 9.004 19.646 182 1HD2 ASN 5 1HD2 ASN 5 11.875 8.816 16.667 183 2HD2 ASN 5 2HD2 ASN 5 13.458 9.365 16.246 184 H GLY 6 H GLY 6 11.031 6.420 21.704 185 1HA GLY 6 1HA GLY 6 10.657 6.715 23.961 186 2HA GLY 6 2HA GLY 6 12.252 7.438 24.083 187 H VAL 7 H VAL 7 8.883 8.062 23.264 188 HA VAL 7 HA VAL 7 9.293 10.929 23.195 189 HB VAL 7 HB VAL 7 6.622 9.540 23.257 190 1HG1 VAL 7 1HG1 VAL 7 6.261 11.595 21.631 191 2HG1 VAL 7 2HG1 VAL 7 7.632 12.238 22.535 192 3HG1 VAL 7 3HG1 VAL 7 6.159 11.770 23.384 193 1HG2 VAL 7 1HG2 VAL 7 8.623 9.673 21.063 194 2HG2 VAL 7 2HG2 VAL 7 6.921 9.883 20.651 195 3HG2 VAL 7 3HG2 VAL 7 7.457 8.408 21.457 196 H SER 8 H SER 8 7.975 12.374 24.582 197 HA SER 8 HA SER 8 7.267 11.242 27.182 198 1HB SER 8 1HB SER 8 9.147 13.597 26.899 199 2HB SER 8 2HB SER 8 8.582 12.881 28.408 200 HG SER 8 HG SER 8 10.276 11.659 28.229 201 H CYS 9 H CYS 9 5.263 11.874 27.546 202 HA CYS 9 HA CYS 9 4.353 14.469 26.527 203 1HB CYS 9 1HB CYS 9 2.498 12.468 27.758 204 2HB CYS 9 2HB CYS 9 2.191 13.629 26.471 205 H SER 10 H SER 10 4.379 16.111 27.913 206 HA SER 10 HA SER 10 3.505 15.659 30.668 207 1HB SER 10 1HB SER 10 5.977 17.296 30.123 208 2HB SER 10 2HB SER 10 5.374 16.705 31.672 209 HG SER 10 HG SER 10 5.746 14.539 30.708 210 H LYS 11 H LYS 11 1.843 16.973 30.924 211 HA LYS 11 HA LYS 11 0.501 18.801 30.901 212 1HB LYS 11 1HB LYS 11 2.769 19.645 31.883 213 2HB LYS 11 2HB LYS 11 2.860 20.543 30.375 214 1HG LYS 11 1HG LYS 11 0.272 20.962 31.396 215 2HG LYS 11 2HG LYS 11 1.387 21.142 32.751 216 1HD LYS 11 1HD LYS 11 2.668 22.501 30.741 217 2HD LYS 11 2HD LYS 11 0.969 22.854 30.418 218 1HE LYS 11 1HE LYS 11 2.290 23.194 33.106 219 2HE LYS 11 2HE LYS 11 2.102 24.492 31.927 220 1HZ LYS 11 1HZ LYS 11 -0.367 23.879 32.018 221 2HZ LYS 11 2HZ LYS 11 0.284 24.736 33.323 222 3HZ LYS 11 3HZ LYS 11 0.014 23.072 33.455 223 H THR 12 H THR 12 1.939 17.728 28.228 224 HA THR 12 HA THR 12 0.318 19.364 26.513 225 HB THR 12 HB THR 12 3.231 19.618 26.711 226 HG1 THR 12 HG1 THR 12 2.427 21.540 26.774 227 1HG2 THR 12 1HG2 THR 12 3.683 20.002 24.387 228 2HG2 THR 12 2HG2 THR 12 2.027 19.580 23.955 229 3HG2 THR 12 3HG2 THR 12 3.113 18.346 24.594 230 H LYS 13 H LYS 13 0.456 18.494 24.189 231 HA LYS 13 HA LYS 13 -0.211 15.798 24.160 232 1HB LYS 13 1HB LYS 13 -0.106 15.937 21.735 233 2HB LYS 13 2HB LYS 13 -0.831 17.400 22.388 234 1HG LYS 13 1HG LYS 13 1.663 18.263 22.261 235 2HG LYS 13 2HG LYS 13 1.771 17.015 21.018 236 1HD LYS 13 1HD LYS 13 -0.401 18.087 20.100 237 2HD LYS 13 2HD LYS 13 0.058 19.473 21.090 238 1HE LYS 13 1HE LYS 13 2.181 19.633 19.932 239 2HE LYS 13 2HE LYS 13 1.809 18.185 18.997 240 1HZ LYS 13 1HZ LYS 13 -0.309 19.939 18.629 241 2HZ LYS 13 2HZ LYS 13 0.869 19.496 17.499 242 3HZ LYS 13 3HZ LYS 13 1.098 20.865 18.465 243 H CYS 14 H CYS 14 1.150 14.481 22.176 244 HA CYS 14 HA CYS 14 3.804 14.155 23.322 245 1HB CYS 14 1HB CYS 14 2.165 12.064 21.868 246 2HB CYS 14 2HB CYS 14 3.643 11.816 22.793 247 H SER 15 H SER 15 3.928 12.250 20.887 248 HA SER 15 HA SER 15 4.213 14.135 18.704 249 1HB SER 15 1HB SER 15 6.386 14.137 20.025 250 2HB SER 15 2HB SER 15 6.597 12.465 19.508 251 HG SER 15 HG SER 15 6.293 13.377 17.304 252 H VAL 16 H VAL 16 3.608 13.230 16.847 253 HA VAL 16 HA VAL 16 2.855 10.475 16.752 254 HB VAL 16 HB VAL 16 3.042 12.408 14.438 255 1HG1 VAL 16 1HG1 VAL 16 2.774 10.215 13.609 256 2HG1 VAL 16 2HG1 VAL 16 1.167 10.939 13.577 257 3HG1 VAL 16 3HG1 VAL 16 1.598 9.804 14.857 258 1HG2 VAL 16 1HG2 VAL 16 1.650 13.113 16.497 259 2HG2 VAL 16 2HG2 VAL 16 0.534 11.850 15.976 260 3HG2 VAL 16 3HG2 VAL 16 0.906 13.196 14.900 261 H ASN 17 H ASN 17 3.597 8.954 15.091 262 HA ASN 17 HA ASN 17 6.504 9.049 14.864 263 1HB ASN 17 1HB ASN 17 4.536 6.811 14.340 264 2HB ASN 17 2HB ASN 17 6.285 6.662 14.202 265 1HD2 ASN 17 1HD2 ASN 17 7.237 5.812 15.892 266 2HD2 ASN 17 2HD2 ASN 17 6.683 5.889 17.527 267 H TRP 18 H TRP 18 5.238 10.865 13.198 268 HA TRP 18 HA TRP 18 4.781 9.844 10.596 269 1HB TRP 18 1HB TRP 18 4.507 12.323 11.889 270 2HB TRP 18 2HB TRP 18 5.630 12.601 10.562 271 HD1 TRP 18 HD1 TRP 18 1.983 11.981 11.296 272 HE1 TRP 18 HE1 TRP 18 0.638 12.090 9.106 273 HE3 TRP 18 HE3 TRP 18 5.861 12.064 7.965 274 HZ2 TRP 18 HZ2 TRP 18 1.151 12.196 6.331 275 HZ3 TRP 18 HZ3 TRP 18 5.348 12.170 5.561 276 HH2 TRP 18 HH2 TRP 18 3.041 12.235 4.762 277 H GLY 19 H GLY 19 7.624 10.282 12.360 278 1HA GLY 19 1HA GLY 19 9.240 10.509 9.903 279 2HA GLY 19 2HA GLY 19 9.802 10.924 11.516 280 H GLN 20 H GLN 20 9.166 8.780 13.019 281 HA GLN 20 HA GLN 20 11.189 6.952 12.476 282 1HB GLN 20 1HB GLN 20 9.474 7.392 14.572 283 2HB GLN 20 2HB GLN 20 8.909 5.839 13.969 284 1HG GLN 20 1HG GLN 20 11.178 4.941 14.179 285 2HG GLN 20 2HG GLN 20 11.726 6.494 14.809 286 1HE2 GLN 20 1HE2 GLN 20 10.115 7.270 16.644 287 2HE2 GLN 20 2HE2 GLN 20 9.865 6.096 17.886 288 H ALA 21 H ALA 21 7.671 6.275 12.236 289 HA ALA 21 HA ALA 21 8.108 3.952 10.731 290 1HB ALA 21 1HB ALA 21 6.001 4.695 12.082 291 2HB ALA 21 2HB ALA 21 5.860 3.610 10.696 292 3HB ALA 21 3HB ALA 21 5.500 5.330 10.512 293 H PHE 22 H PHE 22 8.637 6.948 9.843 294 HA PHE 22 HA PHE 22 7.680 6.925 7.151 295 1HB PHE 22 1HB PHE 22 8.449 8.976 8.629 296 2HB PHE 22 2HB PHE 22 10.042 8.572 8.001 297 HD1 PHE 22 HD1 PHE 22 10.730 9.491 6.007 298 HD2 PHE 22 HD2 PHE 22 6.565 9.225 6.837 299 HE1 PHE 22 HE1 PHE 22 10.244 10.749 3.949 300 HE2 PHE 22 HE2 PHE 22 6.071 10.482 4.780 301 HZ PHE 22 HZ PHE 22 7.912 11.245 3.332 302 H GLN 23 H GLN 23 10.595 6.175 8.906 303 HA GLN 23 HA GLN 23 12.134 5.383 6.620 304 1HB GLN 23 1HB GLN 23 12.515 5.640 9.493 305 2HB GLN 23 2HB GLN 23 13.194 4.130 8.896 306 1HG GLN 23 1HG GLN 23 14.812 5.988 8.943 307 2HG GLN 23 2HG GLN 23 14.587 5.298 7.337 308 1HE2 GLN 23 1HE2 GLN 23 15.236 7.094 6.225 309 2HE2 GLN 23 2HE2 GLN 23 14.334 8.567 6.192 310 H GLU 24 H GLU 24 9.788 3.962 8.724 311 HA GLU 24 HA GLU 24 10.375 1.238 8.409 312 1HB GLU 24 1HB GLU 24 7.980 2.807 9.200 313 2HB GLU 24 2HB GLU 24 7.741 1.126 8.754 314 1HG GLU 24 1HG GLU 24 9.960 1.515 10.596 315 2HG GLU 24 2HG GLU 24 8.412 2.057 11.242 316 H ARG 25 H ARG 25 8.078 3.321 6.677 317 HA ARG 25 HA ARG 25 7.283 1.372 4.806 318 1HB ARG 25 1HB ARG 25 7.111 4.370 4.880 319 2HB ARG 25 2HB ARG 25 6.579 3.470 3.466 320 1HG ARG 25 1HG ARG 25 5.432 2.260 5.764 321 2HG ARG 25 2HG ARG 25 5.167 4.001 5.862 322 1HD ARG 25 1HD ARG 25 4.660 2.611 3.276 323 2HD ARG 25 2HD ARG 25 3.485 2.435 4.578 324 HE ARG 25 HE ARG 25 4.233 5.161 4.038 325 1HH1 ARG 25 1HH1 ARG 25 2.070 2.557 3.186 326 2HH1 ARG 25 2HH1 ARG 25 0.846 3.611 2.562 327 1HH2 ARG 25 1HH2 ARG 25 2.623 6.548 3.218 328 2HH2 ARG 25 2HH2 ARG 25 1.160 5.877 2.580 329 H TYR 26 H TYR 26 9.958 3.563 4.946 330 HA TYR 26 HA TYR 26 10.693 3.508 2.223 331 1HB TYR 26 1HB TYR 26 11.574 4.857 4.443 332 2HB TYR 26 2HB TYR 26 12.906 3.745 4.146 333 HD1 TYR 26 HD1 TYR 26 11.880 6.950 3.550 334 HD2 TYR 26 HD2 TYR 26 13.406 3.589 1.433 335 HE1 TYR 26 HE1 TYR 26 12.728 8.447 1.794 336 HE2 TYR 26 HE2 TYR 26 14.258 5.077 -0.329 337 HH TYR 26 HH TYR 26 14.370 8.489 0.042 338 H THR 27 H THR 27 11.667 1.551 5.009 339 HA THR 27 HA THR 27 13.582 -0.024 3.691 340 HB THR 27 HB THR 27 11.830 -0.743 6.051 341 HG1 THR 27 HG1 THR 27 13.091 1.119 6.397 342 1HG2 THR 27 1HG2 THR 27 14.567 -1.830 5.688 343 2HG2 THR 27 2HG2 THR 27 13.237 -2.574 4.800 344 3HG2 THR 27 3HG2 THR 27 13.188 -2.496 6.561 345 H ALA 28 H ALA 28 10.096 -0.423 4.122 346 HA ALA 28 HA ALA 28 9.899 -3.001 3.002 347 1HB ALA 28 1HB ALA 28 8.169 -1.659 4.369 348 2HB ALA 28 2HB ALA 28 7.595 -2.723 3.085 349 3HB ALA 28 3HB ALA 28 7.695 -0.984 2.810 350 H GLY 29 H GLY 29 10.013 0.200 1.596 351 1HA GLY 29 1HA GLY 29 9.095 -0.522 -0.995 352 2HA GLY 29 2HA GLY 29 9.995 0.929 -0.585 353 H ILE 30 H ILE 30 12.361 -0.073 0.340 354 HA ILE 30 HA ILE 30 13.763 -0.617 -2.023 355 HB ILE 30 HB ILE 30 14.702 -1.206 0.786 356 1HG1 ILE 30 1HG1 ILE 30 14.780 1.349 -0.831 357 2HG1 ILE 30 2HG1 ILE 30 13.931 1.084 0.689 358 1HG2 ILE 30 1HG2 ILE 30 16.765 -1.538 -0.039 359 2HG2 ILE 30 2HG2 ILE 30 16.596 -0.264 -1.248 360 3HG2 ILE 30 3HG2 ILE 30 15.917 -1.862 -1.552 361 1HD1 ILE 30 1HD1 ILE 30 16.903 1.183 0.260 362 2HD1 ILE 30 2HD1 ILE 30 16.132 0.729 1.780 363 3HD1 ILE 30 3HD1 ILE 30 15.902 2.349 1.125 364 H ASN 31 H ASN 31 12.358 -2.727 0.383 365 HA ASN 31 HA ASN 31 13.661 -5.115 -0.175 366 1HB ASN 31 1HB ASN 31 11.258 -4.295 1.200 367 2HB ASN 31 2HB ASN 31 10.970 -5.788 0.313 368 1HD2 ASN 31 1HD2 ASN 31 13.383 -7.030 0.470 369 2HD2 ASN 31 2HD2 ASN 31 13.745 -7.410 2.116 370 H SER 32 H SER 32 10.439 -4.213 -1.421 371 HA SER 32 HA SER 32 10.353 -6.202 -3.395 372 1HB SER 32 1HB SER 32 8.517 -4.511 -2.429 373 2HB SER 32 2HB SER 32 8.935 -3.632 -3.900 374 HG SER 32 HG SER 32 7.329 -5.013 -4.471 375 H PHE 33 H PHE 33 11.721 -2.993 -3.360 376 HA PHE 33 HA PHE 33 12.066 -2.626 -6.124 377 1HB PHE 33 1HB PHE 33 12.435 -0.657 -5.012 378 2HB PHE 33 2HB PHE 33 13.193 -1.452 -3.639 379 HD1 PHE 33 HD1 PHE 33 13.871 -0.830 -7.260 380 HD2 PHE 33 HD2 PHE 33 15.420 -1.068 -3.302 381 HE1 PHE 33 HE1 PHE 33 16.084 -0.145 -8.090 382 HE2 PHE 33 HE2 PHE 33 17.636 -0.382 -4.126 383 HZ PHE 33 HZ PHE 33 17.970 0.081 -6.522 384 H VAL 34 H VAL 34 14.159 -4.067 -3.654 385 HA VAL 34 HA VAL 34 16.386 -4.568 -5.281 386 HB VAL 34 HB VAL 34 15.423 -6.158 -2.890 387 1HG1 VAL 34 1HG1 VAL 34 17.047 -7.452 -4.059 388 2HG1 VAL 34 2HG1 VAL 34 17.850 -6.729 -2.665 389 3HG1 VAL 34 3HG1 VAL 34 18.096 -6.049 -4.272 390 1HG2 VAL 34 1HG2 VAL 34 17.654 -4.353 -2.469 391 2HG2 VAL 34 2HG2 VAL 34 16.154 -4.528 -1.558 392 3HG2 VAL 34 3HG2 VAL 34 16.201 -3.503 -2.992 393 H SER 35 H SER 35 14.300 -7.205 -4.080 394 HA SER 35 HA SER 35 14.996 -9.064 -5.878 395 1HB SER 35 1HB SER 35 13.142 -10.318 -5.155 396 2HB SER 35 2HB SER 35 13.407 -9.196 -3.823 397 HG SER 35 HG SER 35 11.739 -7.921 -4.604 398 H GLY 36 H GLY 36 12.913 -6.377 -6.513 399 1HA GLY 36 1HA GLY 36 11.677 -7.413 -8.839 400 2HA GLY 36 2HA GLY 36 12.019 -5.703 -8.546 401 H VAL 37 H VAL 37 14.637 -5.595 -8.300 402 HA VAL 37 HA VAL 37 15.627 -6.129 -10.956 403 HB VAL 37 HB VAL 37 16.849 -4.525 -8.709 404 1HG1 VAL 37 1HG1 VAL 37 18.148 -3.514 -10.654 405 2HG1 VAL 37 2HG1 VAL 37 17.613 -4.906 -11.595 406 3HG1 VAL 37 3HG1 VAL 37 18.603 -5.143 -10.155 407 1HG2 VAL 37 1HG2 VAL 37 15.741 -2.690 -9.418 408 2HG2 VAL 37 2HG2 VAL 37 14.581 -3.878 -10.013 409 3HG2 VAL 37 3HG2 VAL 37 15.775 -3.186 -11.110 410 H ALA 38 H ALA 38 16.832 -6.483 -7.619 411 HA ALA 38 HA ALA 38 19.016 -8.126 -8.420 412 1HB ALA 38 1HB ALA 38 19.910 -7.640 -6.418 413 2HB ALA 38 2HB ALA 38 18.384 -7.873 -5.554 414 3HB ALA 38 3HB ALA 38 18.688 -6.369 -6.433 415 H SER 39 H SER 39 16.814 -8.666 -5.768 416 HA SER 39 HA SER 39 17.308 -11.361 -5.566 417 1HB SER 39 1HB SER 39 15.975 -9.411 -4.141 418 2HB SER 39 2HB SER 39 14.792 -10.702 -4.402 419 HG SER 39 HG SER 39 15.916 -12.003 -3.162 420 H GLY 40 H GLY 40 15.711 -10.077 -8.096 421 1HA GLY 40 1HA GLY 40 14.209 -10.861 -9.645 422 2HA GLY 40 2HA GLY 40 14.895 -12.425 -9.238 423 H ALA 41 H ALA 41 13.185 -10.546 -6.892 424 HA ALA 41 HA ALA 41 11.362 -11.060 -5.604 425 1HB ALA 41 1HB ALA 41 10.474 -11.072 -8.427 426 2HB ALA 41 2HB ALA 41 9.975 -10.045 -7.082 427 3HB ALA 41 3HB ALA 41 9.340 -11.685 -7.223 428 H GLY 42 H GLY 42 13.172 -13.270 -5.974 429 1HA GLY 42 1HA GLY 42 12.792 -15.377 -4.823 430 2HA GLY 42 2HA GLY 42 11.244 -15.481 -5.647 431 H SER 43 H SER 43 14.489 -16.394 -5.695 432 HA SER 43 HA SER 43 14.666 -16.868 -8.530 433 1HB SER 43 1HB SER 43 16.803 -18.090 -7.843 434 2HB SER 43 2HB SER 43 16.735 -16.363 -7.490 435 HG SER 43 HG SER 43 15.978 -18.323 -5.596 436 H ILE 44 H ILE 44 13.772 -18.652 -5.700 437 HA ILE 44 HA ILE 44 12.650 -20.755 -7.280 438 HB ILE 44 HB ILE 44 14.997 -21.463 -7.249 439 1HG1 ILE 44 1HG1 ILE 44 14.609 -23.740 -6.191 440 2HG1 ILE 44 2HG1 ILE 44 13.050 -23.127 -5.649 441 1HG2 ILE 44 1HG2 ILE 44 16.294 -21.262 -5.464 442 2HG2 ILE 44 2HG2 ILE 44 15.217 -22.288 -4.515 443 3HG2 ILE 44 3HG2 ILE 44 14.933 -20.549 -4.597 444 1HD1 ILE 44 1HD1 ILE 44 13.915 -24.002 -8.302 445 2HD1 ILE 44 2HD1 ILE 44 12.963 -22.517 -8.287 446 3HD1 ILE 44 3HD1 ILE 44 12.311 -23.991 -7.571 447 H GLY 45 H GLY 45 10.959 -19.574 -5.958 448 1HA GLY 45 1HA GLY 45 9.707 -21.111 -4.155 449 2HA GLY 45 2HA GLY 45 10.873 -20.277 -3.141 450 H ARG 46 H ARG 46 9.541 -19.006 -1.960 451 HA ARG 46 HA ARG 46 8.166 -17.276 -1.426 452 1HB ARG 46 1HB ARG 46 9.651 -16.448 -3.750 453 2HB ARG 46 2HB ARG 46 8.044 -15.736 -3.786 454 1HG ARG 46 1HG ARG 46 8.985 -15.446 -1.152 455 2HG ARG 46 2HG ARG 46 10.316 -14.997 -2.219 456 1HD ARG 46 1HD ARG 46 9.061 -13.307 -3.254 457 2HD ARG 46 2HD ARG 46 7.536 -13.946 -2.642 458 HE ARG 46 HE ARG 46 9.345 -12.176 -1.282 459 1HH1 ARG 46 1HH1 ARG 46 6.840 -14.571 -0.864 460 2HH1 ARG 46 2HH1 ARG 46 6.373 -13.991 0.699 461 1HH2 ARG 46 1HH2 ARG 46 8.731 -11.412 0.774 462 2HH2 ARG 46 2HH2 ARG 46 7.447 -12.198 1.629 Start of MODEL 20 1 1H MET -18 1H MET -18 -20.360 2.956 22.627 2 2H MET -18 2H MET -18 -21.158 2.954 21.108 3 3H MET -18 3H MET -18 -21.984 3.493 22.512 4 HA MET -18 HA MET -18 -19.535 4.780 21.546 5 1HB MET -18 1HB MET -18 -22.316 4.901 20.517 6 2HB MET -18 2HB MET -18 -21.493 6.441 20.720 7 1HG MET -18 1HG MET -18 -19.783 4.528 19.413 8 2HG MET -18 2HG MET -18 -21.315 4.693 18.561 9 1HE MET -18 1HE MET -18 -22.377 6.983 18.053 10 2HE MET -18 2HE MET -18 -21.470 8.461 17.728 11 3HE MET -18 3HE MET -18 -21.853 8.008 19.389 12 H ASN -17 H ASN -17 -20.638 4.124 24.215 13 HA ASN -17 HA ASN -17 -21.621 6.669 25.214 14 1HB ASN -17 1HB ASN -17 -22.469 4.405 26.005 15 2HB ASN -17 2HB ASN -17 -20.930 4.221 26.840 16 1HD2 ASN -17 1HD2 ASN -17 -23.641 6.473 26.499 17 2HD2 ASN -17 2HD2 ASN -17 -23.640 6.995 28.146 18 H SER -16 H SER -16 -19.471 7.590 24.404 19 HA SER -16 HA SER -16 -17.256 7.144 26.248 20 1HB SER -16 1HB SER -16 -17.523 8.674 23.663 21 2HB SER -16 2HB SER -16 -16.098 8.820 24.690 22 HG SER -16 HG SER -16 -16.104 7.160 22.942 23 H VAL -15 H VAL -15 -17.856 8.107 28.162 24 HA VAL -15 HA VAL -15 -18.700 10.905 28.107 25 HB VAL -15 HB VAL -15 -18.446 9.094 30.509 26 1HG1 VAL -15 1HG1 VAL -15 -20.191 10.803 31.355 27 2HG1 VAL -15 2HG1 VAL -15 -19.580 11.827 30.057 28 3HG1 VAL -15 3HG1 VAL -15 -18.490 11.265 31.324 29 1HG2 VAL -15 1HG2 VAL -15 -20.193 8.689 28.462 30 2HG2 VAL -15 2HG2 VAL -15 -21.130 9.741 29.522 31 3HG2 VAL -15 3HG2 VAL -15 -20.482 8.222 30.138 32 H LYS -14 H LYS -14 -15.989 8.908 28.839 33 HA LYS -14 HA LYS -14 -14.574 10.992 30.273 34 1HB LYS -14 1HB LYS -14 -14.388 8.298 30.399 35 2HB LYS -14 2HB LYS -14 -13.108 8.626 29.240 36 1HG LYS -14 1HG LYS -14 -12.161 8.539 31.432 37 2HG LYS -14 2HG LYS -14 -12.109 10.209 30.863 38 1HD LYS -14 1HD LYS -14 -14.568 9.944 32.171 39 2HD LYS -14 2HD LYS -14 -13.401 9.101 33.193 40 1HE LYS -14 1HE LYS -14 -12.727 11.797 32.101 41 2HE LYS -14 2HE LYS -14 -13.815 11.671 33.483 42 1HZ LYS -14 1HZ LYS -14 -11.883 11.725 34.610 43 2HZ LYS -14 2HZ LYS -14 -10.962 11.148 33.314 44 3HZ LYS -14 3HZ LYS -14 -11.850 10.069 34.267 45 H GLU -13 H GLU -13 -14.831 9.667 27.071 46 HA GLU -13 HA GLU -13 -12.534 11.026 26.047 47 1HB GLU -13 1HB GLU -13 -13.949 8.873 25.189 48 2HB GLU -13 2HB GLU -13 -14.601 10.131 24.148 49 1HG GLU -13 1HG GLU -13 -12.850 9.898 22.826 50 2HG GLU -13 2HG GLU -13 -11.814 10.466 24.135 51 H LEU -12 H LEU -12 -16.001 11.487 26.097 52 HA LEU -12 HA LEU -12 -15.973 13.812 24.437 53 1HB LEU -12 1HB LEU -12 -17.932 12.200 24.957 54 2HB LEU -12 2HB LEU -12 -18.147 13.172 26.399 55 HG LEU -12 HG LEU -12 -18.163 14.341 23.621 56 1HD1 LEU -12 1HD1 LEU -12 -19.977 12.559 24.241 57 2HD1 LEU -12 2HD1 LEU -12 -20.435 14.066 23.451 58 3HD1 LEU -12 3HD1 LEU -12 -20.655 13.881 25.190 59 1HD2 LEU -12 1HD2 LEU -12 -18.529 15.367 26.363 60 2HD2 LEU -12 2HD2 LEU -12 -19.662 15.966 25.151 61 3HD2 LEU -12 3HD2 LEU -12 -17.926 16.175 24.916 62 H ASN -11 H ASN -11 -15.522 13.202 27.812 63 HA ASN -11 HA ASN -11 -16.096 15.800 28.766 64 1HB ASN -11 1HB ASN -11 -15.995 13.825 30.241 65 2HB ASN -11 2HB ASN -11 -14.260 13.714 29.954 66 1HD2 ASN -11 1HD2 ASN -11 -14.205 13.854 32.313 67 2HD2 ASN -11 2HD2 ASN -11 -14.198 15.417 33.050 68 H VAL -10 H VAL -10 -13.273 14.316 27.399 69 HA VAL -10 HA VAL -10 -11.453 16.405 28.109 70 HB VAL -10 HB VAL -10 -11.138 14.358 25.912 71 1HG1 VAL -10 1HG1 VAL -10 -9.327 15.620 25.504 72 2HG1 VAL -10 2HG1 VAL -10 -8.664 14.834 26.935 73 3HG1 VAL -10 3HG1 VAL -10 -9.412 16.425 27.071 74 1HG2 VAL -10 1HG2 VAL -10 -10.332 12.814 27.425 75 2HG2 VAL -10 2HG2 VAL -10 -11.638 13.559 28.347 76 3HG2 VAL -10 3HG2 VAL -10 -9.966 14.039 28.640 77 H LYS -9 H LYS -9 -13.505 15.699 25.355 78 HA LYS -9 HA LYS -9 -12.433 17.410 23.453 79 1HB LYS -9 1HB LYS -9 -15.280 16.565 23.973 80 2HB LYS -9 2HB LYS -9 -14.819 17.539 22.582 81 1HG LYS -9 1HG LYS -9 -13.622 15.810 21.606 82 2HG LYS -9 2HG LYS -9 -13.456 14.935 23.130 83 1HD LYS -9 1HD LYS -9 -15.135 13.672 22.328 84 2HD LYS -9 2HD LYS -9 -16.160 15.010 22.853 85 1HE LYS -9 1HE LYS -9 -15.667 15.984 20.505 86 2HE LYS -9 2HE LYS -9 -15.187 14.335 20.102 87 1HZ LYS -9 1HZ LYS -9 -17.517 14.782 19.571 88 2HZ LYS -9 2HZ LYS -9 -17.833 15.119 21.198 89 3HZ LYS -9 3HZ LYS -9 -17.367 13.560 20.733 90 H GLU -8 H GLU -8 -14.193 18.161 26.337 91 HA GLU -8 HA GLU -8 -15.254 20.649 25.720 92 1HB GLU -8 1HB GLU -8 -15.484 19.234 27.865 93 2HB GLU -8 2HB GLU -8 -14.030 20.067 28.395 94 1HG GLU -8 1HG GLU -8 -16.060 21.880 27.376 95 2HG GLU -8 2HG GLU -8 -16.617 20.921 28.747 96 H MET -7 H MET -7 -12.290 20.178 27.567 97 HA MET -7 HA MET -7 -11.362 22.815 27.124 98 1HB MET -7 1HB MET -7 -9.256 22.008 28.151 99 2HB MET -7 2HB MET -7 -10.679 21.605 29.103 100 1HG MET -7 1HG MET -7 -10.611 19.337 28.389 101 2HG MET -7 2HG MET -7 -9.361 19.691 27.198 102 1HE MET -7 1HE MET -7 -6.285 20.106 28.626 103 2HE MET -7 2HE MET -7 -7.318 19.526 27.321 104 3HE MET -7 3HE MET -7 -6.629 18.382 28.472 105 H LYS -6 H LYS -6 -10.849 19.755 25.515 106 HA LYS -6 HA LYS -6 -8.570 20.290 24.033 107 1HB LYS -6 1HB LYS -6 -10.757 18.398 23.935 108 2HB LYS -6 2HB LYS -6 -10.260 18.856 22.313 109 1HG LYS -6 1HG LYS -6 -7.872 18.413 23.638 110 2HG LYS -6 2HG LYS -6 -8.944 17.150 24.245 111 1HD LYS -6 1HD LYS -6 -9.498 17.092 21.581 112 2HD LYS -6 2HD LYS -6 -7.788 17.527 21.571 113 1HE LYS -6 1HE LYS -6 -7.138 15.513 22.355 114 2HE LYS -6 2HE LYS -6 -8.539 15.355 23.413 115 1HZ LYS -6 1HZ LYS -6 -9.875 14.816 21.442 116 2HZ LYS -6 2HZ LYS -6 -8.626 13.703 21.688 117 3HZ LYS -6 3HZ LYS -6 -8.484 14.881 20.482 118 H GLN -5 H GLN -5 -11.942 20.731 22.922 119 HA GLN -5 HA GLN -5 -11.043 22.355 20.718 120 1HB GLN -5 1HB GLN -5 -13.703 21.380 21.670 121 2HB GLN -5 2HB GLN -5 -13.578 22.563 20.379 122 1HG GLN -5 1HG GLN -5 -13.019 21.020 18.872 123 2HG GLN -5 2HG GLN -5 -11.861 20.256 19.959 124 1HE2 GLN -5 1HE2 GLN -5 -12.308 18.210 20.288 125 2HE2 GLN -5 2HE2 GLN -5 -13.883 17.514 20.420 126 H LEU -4 H LEU -4 -10.954 23.153 23.683 127 HA LEU -4 HA LEU -4 -12.583 25.548 23.702 128 1HB LEU -4 1HB LEU -4 -12.347 24.160 25.744 129 2HB LEU -4 2HB LEU -4 -10.634 24.536 25.765 130 HG LEU -4 HG LEU -4 -11.561 27.031 25.789 131 1HD1 LEU -4 1HD1 LEU -4 -13.543 26.833 27.514 132 2HD1 LEU -4 2HD1 LEU -4 -13.836 25.323 26.651 133 3HD1 LEU -4 3HD1 LEU -4 -13.836 26.854 25.776 134 1HD2 LEU -4 1HD2 LEU -4 -11.176 27.063 28.133 135 2HD2 LEU -4 2HD2 LEU -4 -10.098 25.844 27.453 136 3HD2 LEU -4 3HD2 LEU -4 -11.571 25.351 28.288 137 H HIS -3 H HIS -3 -9.195 24.841 24.333 138 HA HIS -3 HA HIS -3 -8.420 27.528 23.663 139 1HB HIS -3 1HB HIS -3 -7.245 25.289 25.081 140 2HB HIS -3 2HB HIS -3 -6.094 26.019 23.967 141 HD1 HIS -3 HD1 HIS -3 -4.965 28.105 24.741 142 HD2 HIS -3 HD2 HIS -3 -8.345 27.215 26.990 143 HE1 HIS -3 HE1 HIS -3 -4.975 29.769 26.626 144 HE2 HIS -3 HE2 HIS -3 -7.076 29.266 27.924 145 H GLY -2 H GLY -2 -8.582 24.468 22.107 146 1HA GLY -2 1HA GLY -2 -6.684 25.153 20.027 147 2HA GLY -2 2HA GLY -2 -7.648 23.688 20.120 148 H GLY -1 H GLY -1 -8.209 23.831 17.929 149 1HA GLY -1 1HA GLY -1 -10.497 24.463 16.977 150 2HA GLY -1 2HA GLY -1 -9.934 26.112 17.209 151 H VAL 1 H VAL 1 -10.743 24.966 14.729 152 HA VAL 1 HA VAL 1 -8.629 24.079 13.128 153 HB VAL 1 HB VAL 1 -9.987 25.054 11.211 154 1HG1 VAL 1 1HG1 VAL 1 -11.490 23.253 13.104 155 2HG1 VAL 1 2HG1 VAL 1 -10.168 22.723 12.063 156 3HG1 VAL 1 3HG1 VAL 1 -11.659 23.340 11.351 157 1HG2 VAL 1 1HG2 VAL 1 -12.295 25.393 13.005 158 2HG2 VAL 1 2HG2 VAL 1 -11.842 26.286 11.553 159 3HG2 VAL 1 3HG2 VAL 1 -11.072 26.661 13.095 160 H ASN 2 H ASN 2 -6.803 25.065 12.601 161 HA ASN 2 HA ASN 2 -6.787 27.794 11.691 162 1HB ASN 2 1HB ASN 2 -6.507 27.596 14.359 163 2HB ASN 2 2HB ASN 2 -4.828 27.363 13.881 164 1HD2 ASN 2 1HD2 ASN 2 -7.545 29.548 13.835 165 2HD2 ASN 2 2HD2 ASN 2 -6.640 30.978 13.490 166 H TYR 3 H TYR 3 -6.195 26.219 9.916 167 HA TYR 3 HA TYR 3 -4.657 25.402 8.455 168 1HB TYR 3 1HB TYR 3 -3.403 27.633 9.783 169 2HB TYR 3 2HB TYR 3 -2.194 26.417 9.383 170 HD1 TYR 3 HD1 TYR 3 -1.128 26.728 7.369 171 HD2 TYR 3 HD2 TYR 3 -5.185 27.952 7.737 172 HE1 TYR 3 HE1 TYR 3 -1.090 27.529 5.045 173 HE2 TYR 3 HE2 TYR 3 -5.160 28.755 5.413 174 HH TYR 3 HH TYR 3 -3.139 27.889 3.189 175 H GLY 4 H GLY 4 -5.309 23.770 10.642 176 1HA GLY 4 1HA GLY 4 -4.403 21.547 10.917 177 2HA GLY 4 2HA GLY 4 -2.795 22.252 10.899 178 H ASN 5 H ASN 5 -3.473 24.430 12.698 179 HA ASN 5 HA ASN 5 -3.484 24.928 14.910 180 1HB ASN 5 1HB ASN 5 -5.716 23.634 14.565 181 2HB ASN 5 2HB ASN 5 -4.911 22.372 15.493 182 1HD2 ASN 5 1HD2 ASN 5 -6.121 22.494 17.314 183 2HD2 ASN 5 2HD2 ASN 5 -6.168 23.875 18.350 184 H GLY 6 H GLY 6 -1.717 22.548 13.655 185 1HA GLY 6 1HA GLY 6 0.235 21.577 14.405 186 2HA GLY 6 2HA GLY 6 -0.041 22.333 15.967 187 H VAL 7 H VAL 7 -1.764 19.902 14.011 188 HA VAL 7 HA VAL 7 -2.848 17.994 14.653 189 HB VAL 7 HB VAL 7 -0.262 17.552 14.451 190 1HG1 VAL 7 1HG1 VAL 7 -0.231 18.009 17.093 191 2HG1 VAL 7 2HG1 VAL 7 0.919 16.958 16.271 192 3HG1 VAL 7 3HG1 VAL 7 -0.483 16.264 17.086 193 1HG2 VAL 7 1HG2 VAL 7 -1.415 15.181 15.632 194 2HG2 VAL 7 2HG2 VAL 7 -0.935 15.496 13.964 195 3HG2 VAL 7 3HG2 VAL 7 -2.532 15.986 14.530 196 H SER 8 H SER 8 -2.461 16.319 16.882 197 HA SER 8 HA SER 8 -3.638 17.975 19.014 198 1HB SER 8 1HB SER 8 -4.094 15.014 18.802 199 2HB SER 8 2HB SER 8 -5.099 16.241 19.574 200 HG SER 8 HG SER 8 -5.377 17.060 17.332 201 H CYS 9 H CYS 9 -2.309 18.268 20.664 202 HA CYS 9 HA CYS 9 -0.146 16.395 21.168 203 1HB CYS 9 1HB CYS 9 -0.687 18.831 22.834 204 2HB CYS 9 2HB CYS 9 0.851 18.056 22.471 205 H SER 10 H SER 10 -0.523 14.689 22.392 206 HA SER 10 HA SER 10 -1.744 14.990 25.004 207 1HB SER 10 1HB SER 10 -3.023 13.490 22.758 208 2HB SER 10 2HB SER 10 -3.255 12.954 24.419 209 HG SER 10 HG SER 10 -3.903 15.234 24.805 210 H LYS 11 H LYS 11 0.743 14.041 23.529 211 HA LYS 11 HA LYS 11 1.383 11.901 25.307 212 1HB LYS 11 1HB LYS 11 0.311 11.201 22.808 213 2HB LYS 11 2HB LYS 11 2.035 10.882 22.702 214 1HG LYS 11 1HG LYS 11 1.493 9.782 25.102 215 2HG LYS 11 2HG LYS 11 -0.048 9.535 24.279 216 1HD LYS 11 1HD LYS 11 1.244 7.608 23.831 217 2HD LYS 11 2HD LYS 11 1.286 8.573 22.354 218 1HE LYS 11 1HE LYS 11 3.470 9.528 23.192 219 2HE LYS 11 2HE LYS 11 3.436 8.284 24.441 220 1HZ LYS 11 1HZ LYS 11 4.732 7.442 22.682 221 2HZ LYS 11 2HZ LYS 11 3.606 7.902 21.508 222 3HZ LYS 11 3HZ LYS 11 3.247 6.639 22.573 223 H THR 12 H THR 12 2.278 13.967 22.672 224 HA THR 12 HA THR 12 5.009 13.983 23.653 225 HB THR 12 HB THR 12 4.070 12.965 21.124 226 HG1 THR 12 HG1 THR 12 6.547 13.028 22.481 227 1HG2 THR 12 1HG2 THR 12 6.341 14.916 20.910 228 2HG2 THR 12 2HG2 THR 12 4.713 15.228 20.312 229 3HG2 THR 12 3HG2 THR 12 5.666 13.910 19.630 230 H LYS 13 H LYS 13 6.245 15.864 22.505 231 HA LYS 13 HA LYS 13 4.909 18.261 23.176 232 1HB LYS 13 1HB LYS 13 7.518 17.560 21.947 233 2HB LYS 13 2HB LYS 13 6.992 19.234 21.952 234 1HG LYS 13 1HG LYS 13 7.237 19.454 24.208 235 2HG LYS 13 2HG LYS 13 6.899 17.750 24.518 236 1HD LYS 13 1HD LYS 13 9.067 17.104 24.094 237 2HD LYS 13 2HD LYS 13 9.384 18.488 23.044 238 1HE LYS 13 1HE LYS 13 8.980 18.702 26.022 239 2HE LYS 13 2HE LYS 13 10.562 18.536 25.260 240 1HZ LYS 13 1HZ LYS 13 10.050 20.578 23.988 241 2HZ LYS 13 2HZ LYS 13 10.139 20.837 25.656 242 3HZ LYS 13 3HZ LYS 13 8.632 20.761 24.891 243 H CYS 14 H CYS 14 3.684 16.757 21.026 244 HA CYS 14 HA CYS 14 2.383 17.244 19.218 245 1HB CYS 14 1HB CYS 14 3.684 19.947 19.025 246 2HB CYS 14 2HB CYS 14 2.069 19.470 18.520 247 H SER 15 H SER 15 4.070 15.612 18.461 248 HA SER 15 HA SER 15 5.021 16.465 15.893 249 1HB SER 15 1HB SER 15 6.825 16.928 17.850 250 2HB SER 15 2HB SER 15 7.231 15.258 17.455 251 HG SER 15 HG SER 15 6.948 17.261 15.476 252 H VAL 16 H VAL 16 3.667 14.840 15.128 253 HA VAL 16 HA VAL 16 3.589 12.193 16.028 254 HB VAL 16 HB VAL 16 3.126 13.095 13.183 255 1HG1 VAL 16 1HG1 VAL 16 1.407 11.201 13.347 256 2HG1 VAL 16 2HG1 VAL 16 2.304 10.689 14.776 257 3HG1 VAL 16 3HG1 VAL 16 3.108 10.757 13.208 258 1HG2 VAL 16 1HG2 VAL 16 0.657 12.999 14.246 259 2HG2 VAL 16 2HG2 VAL 16 1.619 14.474 14.147 260 3HG2 VAL 16 3HG2 VAL 16 1.572 13.550 15.649 261 H ASN 17 H ASN 17 4.365 10.257 14.874 262 HA ASN 17 HA ASN 17 7.176 10.538 14.242 263 1HB ASN 17 1HB ASN 17 7.208 8.082 14.288 264 2HB ASN 17 2HB ASN 17 6.448 8.737 15.735 265 1HD2 ASN 17 1HD2 ASN 17 5.728 6.403 15.697 266 2HD2 ASN 17 2HD2 ASN 17 4.222 6.075 14.916 267 H TRP 18 H TRP 18 5.925 11.811 12.276 268 HA TRP 18 HA TRP 18 5.260 10.124 10.071 269 1HB TRP 18 1HB TRP 18 5.545 13.069 10.489 270 2HB TRP 18 2HB TRP 18 5.529 12.442 8.843 271 HD1 TRP 18 HD1 TRP 18 3.295 10.290 8.976 272 HE1 TRP 18 HE1 TRP 18 0.842 10.951 9.392 273 HE3 TRP 18 HE3 TRP 18 4.040 14.846 11.172 274 HZ2 TRP 18 HZ2 TRP 18 -0.587 13.116 10.503 275 HZ3 TRP 18 HZ3 TRP 18 2.077 16.150 11.881 276 HH2 TRP 18 HH2 TRP 18 -0.189 15.301 11.552 277 H GLY 19 H GLY 19 8.173 10.871 11.466 278 1HA GLY 19 1HA GLY 19 9.615 10.729 8.897 279 2HA GLY 19 2HA GLY 19 10.278 11.401 10.382 280 H GLN 20 H GLN 20 9.797 9.531 12.249 281 HA GLN 20 HA GLN 20 11.802 7.645 11.865 282 1HB GLN 20 1HB GLN 20 10.452 8.431 14.021 283 2HB GLN 20 2HB GLN 20 9.538 6.968 13.687 284 1HG GLN 20 1HG GLN 20 11.889 5.855 13.572 285 2HG GLN 20 2HG GLN 20 12.392 7.275 14.488 286 1HE2 GLN 20 1HE2 GLN 20 10.377 4.426 14.491 287 2HE2 GLN 20 2HE2 GLN 20 10.126 4.365 16.199 288 H ALA 21 H ALA 21 8.301 6.883 12.060 289 HA ALA 21 HA ALA 21 8.677 4.362 10.898 290 1HB ALA 21 1HB ALA 21 6.391 4.019 11.003 291 2HB ALA 21 2HB ALA 21 6.040 5.741 10.820 292 3HB ALA 21 3HB ALA 21 6.710 5.132 12.335 293 H PHE 22 H PHE 22 8.958 7.218 9.523 294 HA PHE 22 HA PHE 22 7.782 6.747 6.968 295 1HB PHE 22 1HB PHE 22 8.810 8.983 8.171 296 2HB PHE 22 2HB PHE 22 10.126 8.549 7.085 297 HD1 PHE 22 HD1 PHE 22 6.403 8.815 6.983 298 HD2 PHE 22 HD2 PHE 22 10.108 9.528 5.016 299 HE1 PHE 22 HE1 PHE 22 5.203 9.875 5.114 300 HE2 PHE 22 HE2 PHE 22 8.915 10.590 3.144 301 HZ PHE 22 HZ PHE 22 6.459 10.764 3.192 302 H GLN 23 H GLN 23 10.862 6.306 8.539 303 HA GLN 23 HA GLN 23 12.219 5.237 6.251 304 1HB GLN 23 1HB GLN 23 12.831 5.834 9.046 305 2HB GLN 23 2HB GLN 23 13.518 4.294 8.535 306 1HG GLN 23 1HG GLN 23 15.144 5.318 7.445 307 2HG GLN 23 2HG GLN 23 13.987 6.275 6.522 308 1HE2 GLN 23 1HE2 GLN 23 14.127 8.380 6.766 309 2HE2 GLN 23 2HE2 GLN 23 14.794 9.210 8.127 310 H GLU 24 H GLU 24 10.136 4.107 8.773 311 HA GLU 24 HA GLU 24 10.703 1.346 8.636 312 1HB GLU 24 1HB GLU 24 8.345 2.921 9.621 313 2HB GLU 24 2HB GLU 24 8.344 1.164 9.627 314 1HG GLU 24 1HG GLU 24 10.646 2.554 10.875 315 2HG GLU 24 2HG GLU 24 9.101 2.578 11.723 316 H ARG 25 H ARG 25 8.530 3.486 6.910 317 HA ARG 25 HA ARG 25 7.159 1.405 5.536 318 1HB ARG 25 1HB ARG 25 5.995 3.118 4.387 319 2HB ARG 25 2HB ARG 25 6.247 3.714 6.019 320 1HG ARG 25 1HG ARG 25 7.519 5.425 5.340 321 2HG ARG 25 2HG ARG 25 8.329 4.477 4.095 322 1HD ARG 25 1HD ARG 25 7.118 5.964 2.824 323 2HD ARG 25 2HD ARG 25 6.019 4.587 2.898 324 HE ARG 25 HE ARG 25 5.550 6.438 5.015 325 1HH1 ARG 25 1HH1 ARG 25 4.960 5.860 1.623 326 2HH1 ARG 25 2HH1 ARG 25 3.513 6.811 1.584 327 1HH2 ARG 25 1HH2 ARG 25 3.646 7.688 4.966 328 2HH2 ARG 25 2HH2 ARG 25 2.768 7.849 3.481 329 H TYR 26 H TYR 26 9.889 3.445 4.894 330 HA TYR 26 HA TYR 26 10.213 2.899 2.156 331 1HB TYR 26 1HB TYR 26 11.502 4.489 3.984 332 2HB TYR 26 2HB TYR 26 12.708 3.245 3.676 333 HD1 TYR 26 HD1 TYR 26 10.784 6.001 2.206 334 HD2 TYR 26 HD2 TYR 26 13.764 3.046 1.504 335 HE1 TYR 26 HE1 TYR 26 11.426 7.150 0.130 336 HE2 TYR 26 HE2 TYR 26 14.414 4.188 -0.574 337 HH TYR 26 HH TYR 26 14.277 6.381 -1.593 338 H THR 27 H THR 27 11.206 1.194 5.051 339 HA THR 27 HA THR 27 13.003 -0.629 3.940 340 HB THR 27 HB THR 27 11.075 -1.041 6.235 341 HG1 THR 27 HG1 THR 27 12.645 -0.214 7.492 342 1HG2 THR 27 1HG2 THR 27 13.255 -2.713 5.178 343 2HG2 THR 27 2HG2 THR 27 11.821 -3.156 6.105 344 3HG2 THR 27 3HG2 THR 27 13.225 -2.473 6.924 345 H ALA 28 H ALA 28 9.481 -0.689 4.144 346 HA ALA 28 HA ALA 28 9.181 -3.319 3.121 347 1HB ALA 28 1HB ALA 28 7.509 -1.749 4.420 348 2HB ALA 28 2HB ALA 28 6.927 -2.984 3.305 349 3HB ALA 28 3HB ALA 28 7.023 -1.301 2.786 350 H GLY 29 H GLY 29 9.473 -0.148 1.682 351 1HA GLY 29 1HA GLY 29 8.612 -0.976 -0.936 352 2HA GLY 29 2HA GLY 29 9.358 0.558 -0.521 353 H ILE 30 H ILE 30 11.772 -0.244 0.528 354 HA ILE 30 HA ILE 30 13.368 -0.565 -1.713 355 HB ILE 30 HB ILE 30 14.015 -1.267 1.153 356 1HG1 ILE 30 1HG1 ILE 30 13.340 1.092 0.701 357 2HG1 ILE 30 2HG1 ILE 30 14.996 0.936 1.275 358 1HG2 ILE 30 1HG2 ILE 30 16.392 -0.615 0.065 359 2HG2 ILE 30 2HG2 ILE 30 15.622 -1.403 -1.311 360 3HG2 ILE 30 3HG2 ILE 30 15.802 -2.270 0.215 361 1HD1 ILE 30 1HD1 ILE 30 15.206 0.823 -1.488 362 2HD1 ILE 30 2HD1 ILE 30 15.591 2.194 -0.446 363 3HD1 ILE 30 3HD1 ILE 30 13.991 2.064 -1.178 364 H ASN 31 H ASN 31 12.123 -3.028 0.502 365 HA ASN 31 HA ASN 31 13.565 -5.226 -0.378 366 1HB ASN 31 1HB ASN 31 11.682 -4.897 1.492 367 2HB ASN 31 2HB ASN 31 10.685 -5.636 0.242 368 1HD2 ASN 31 1HD2 ASN 31 14.021 -6.136 1.345 369 2HD2 ASN 31 2HD2 ASN 31 13.856 -7.832 1.620 370 H SER 32 H SER 32 10.662 -3.759 -1.739 371 HA SER 32 HA SER 32 10.236 -5.779 -3.693 372 1HB SER 32 1HB SER 32 9.104 -3.091 -3.109 373 2HB SER 32 2HB SER 32 8.889 -3.723 -4.741 374 HG SER 32 HG SER 32 8.176 -5.076 -2.348 375 H PHE 33 H PHE 33 11.707 -2.552 -3.775 376 HA PHE 33 HA PHE 33 12.279 -2.496 -6.518 377 1HB PHE 33 1HB PHE 33 12.790 -0.408 -5.899 378 2HB PHE 33 2HB PHE 33 12.832 -0.880 -4.207 379 HD1 PHE 33 HD1 PHE 33 14.835 -0.856 -3.034 380 HD2 PHE 33 HD2 PHE 33 14.907 -0.798 -7.288 381 HE1 PHE 33 HE1 PHE 33 17.262 -0.452 -2.983 382 HE2 PHE 33 HE2 PHE 33 17.334 -0.396 -7.246 383 HZ PHE 33 HZ PHE 33 18.514 -0.223 -5.091 384 H VAL 34 H VAL 34 14.223 -3.618 -3.767 385 HA VAL 34 HA VAL 34 16.594 -4.168 -5.102 386 HB VAL 34 HB VAL 34 15.421 -5.803 -2.844 387 1HG1 VAL 34 1HG1 VAL 34 17.689 -6.404 -2.324 388 2HG1 VAL 34 2HG1 VAL 34 18.303 -5.361 -3.607 389 3HG1 VAL 34 3HG1 VAL 34 17.368 -6.800 -4.013 390 1HG2 VAL 34 1HG2 VAL 34 17.418 -3.790 -2.168 391 2HG2 VAL 34 2HG2 VAL 34 15.875 -4.159 -1.399 392 3HG2 VAL 34 3HG2 VAL 34 15.927 -3.102 -2.809 393 H SER 35 H SER 35 14.381 -6.803 -4.131 394 HA SER 35 HA SER 35 15.362 -8.681 -5.775 395 1HB SER 35 1HB SER 35 13.427 -9.972 -5.350 396 2HB SER 35 2HB SER 35 13.533 -8.887 -3.964 397 HG SER 35 HG SER 35 11.789 -7.882 -4.606 398 H GLY 36 H GLY 36 12.609 -6.616 -6.602 399 1HA GLY 36 1HA GLY 36 11.940 -7.484 -9.066 400 2HA GLY 36 2HA GLY 36 12.158 -5.763 -8.749 401 H VAL 37 H VAL 37 14.834 -5.672 -8.244 402 HA VAL 37 HA VAL 37 15.962 -6.045 -10.870 403 HB VAL 37 HB VAL 37 17.085 -4.587 -8.477 404 1HG1 VAL 37 1HG1 VAL 37 18.318 -3.502 -10.610 405 2HG1 VAL 37 2HG1 VAL 37 18.114 -5.157 -11.186 406 3HG1 VAL 37 3HG1 VAL 37 18.982 -4.848 -9.683 407 1HG2 VAL 37 1HG2 VAL 37 16.513 -2.588 -10.038 408 2HG2 VAL 37 2HG2 VAL 37 15.241 -3.319 -9.061 409 3HG2 VAL 37 3HG2 VAL 37 15.376 -3.719 -10.773 410 H ALA 38 H ALA 38 17.343 -6.323 -7.615 411 HA ALA 38 HA ALA 38 19.212 -8.294 -8.478 412 1HB ALA 38 1HB ALA 38 20.441 -7.707 -6.691 413 2HB ALA 38 2HB ALA 38 19.043 -7.656 -5.608 414 3HB ALA 38 3HB ALA 38 19.373 -6.302 -6.696 415 H SER 39 H SER 39 17.361 -8.254 -5.526 416 HA SER 39 HA SER 39 17.505 -10.969 -5.045 417 1HB SER 39 1HB SER 39 16.912 -8.793 -3.625 418 2HB SER 39 2HB SER 39 15.304 -9.505 -3.787 419 HG SER 39 HG SER 39 15.924 -10.735 -2.198 420 H GLY 40 H GLY 40 15.864 -9.853 -7.571 421 1HA GLY 40 1HA GLY 40 13.964 -12.075 -7.443 422 2HA GLY 40 2HA GLY 40 13.324 -10.466 -7.747 423 H ALA 41 H ALA 41 16.138 -12.299 -8.938 424 HA ALA 41 HA ALA 41 15.084 -12.162 -11.624 425 1HB ALA 41 1HB ALA 41 17.913 -11.339 -11.382 426 2HB ALA 41 2HB ALA 41 16.678 -10.152 -10.960 427 3HB ALA 41 3HB ALA 41 16.697 -10.871 -12.572 428 H GLY 42 H GLY 42 17.721 -13.199 -9.559 429 1HA GLY 42 1HA GLY 42 18.933 -15.149 -9.486 430 2HA GLY 42 2HA GLY 42 17.551 -15.903 -10.268 431 H SER 43 H SER 43 20.670 -14.426 -10.734 432 HA SER 43 HA SER 43 20.596 -15.138 -13.583 433 1HB SER 43 1HB SER 43 21.220 -12.773 -12.848 434 2HB SER 43 2HB SER 43 22.717 -13.472 -12.230 435 HG SER 43 HG SER 43 23.159 -14.208 -14.345 436 H ILE 44 H ILE 44 21.955 -16.026 -10.569 437 HA ILE 44 HA ILE 44 24.035 -17.638 -11.868 438 HB ILE 44 HB ILE 44 23.681 -17.154 -8.912 439 1HG1 ILE 44 1HG1 ILE 44 24.069 -15.027 -10.081 440 2HG1 ILE 44 2HG1 ILE 44 25.467 -15.486 -9.114 441 1HG2 ILE 44 1HG2 ILE 44 26.297 -17.672 -9.283 442 2HG2 ILE 44 2HG2 ILE 44 25.599 -18.644 -10.578 443 3HG2 ILE 44 3HG2 ILE 44 25.097 -18.908 -8.908 444 1HD1 ILE 44 1HD1 ILE 44 26.789 -15.485 -10.892 445 2HD1 ILE 44 2HD1 ILE 44 25.457 -14.743 -11.778 446 3HD1 ILE 44 3HD1 ILE 44 25.671 -16.493 -11.811 447 H GLY 45 H GLY 45 21.846 -18.804 -12.531 448 1HA GLY 45 1HA GLY 45 20.732 -20.812 -12.460 449 2HA GLY 45 2HA GLY 45 21.890 -21.322 -11.242 450 H ARG 46 H ARG 46 21.167 -21.633 -9.235 451 HA ARG 46 HA ARG 46 19.780 -21.715 -7.435 452 1HB ARG 46 1HB ARG 46 19.565 -18.988 -8.450 453 2HB ARG 46 2HB ARG 46 18.121 -19.499 -7.588 454 1HG ARG 46 1HG ARG 46 19.419 -18.546 -5.929 455 2HG ARG 46 2HG ARG 46 19.753 -20.270 -5.752 456 1HD ARG 46 1HD ARG 46 21.813 -20.015 -7.025 457 2HD ARG 46 2HD ARG 46 21.472 -18.301 -7.257 458 HE ARG 46 HE ARG 46 22.574 -19.544 -4.922 459 1HH1 ARG 46 1HH1 ARG 46 20.720 -16.822 -6.078 460 2HH1 ARG 46 2HH1 ARG 46 21.144 -15.805 -4.742 461 1HH2 ARG 46 1HH2 ARG 46 23.130 -18.208 -3.162 462 2HH2 ARG 46 2HH2 ARG 46 22.513 -16.592 -3.088
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