NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
6847 | 1jn7 | 5096 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HT GLY 1 -13.782 -5.458 -9.330 2 2H GLY 1 2HT GLY 1 -14.463 -6.718 -8.431 3 3H GLY 1 3HT GLY 1 -13.436 -7.065 -9.729 4 1HA GLY 1 1HA GLY 1 -12.767 -6.040 -7.053 5 2HA GLY 1 2HA GLY 1 -12.056 -7.390 -7.924 6 H SER 2 H SER 2 -11.899 -5.765 -10.415 7 HA SER 2 HA SER 2 -10.256 -3.507 -9.938 8 1HB SER 2 2HB SER 2 -8.675 -5.262 -9.192 9 2HB SER 2 1HB SER 2 -8.798 -6.025 -10.777 10 HG SER 2 HG SER 2 -7.002 -4.717 -10.793 11 H ALA 3 H ALA 3 -8.696 -3.431 -12.169 12 HA ALA 3 HA ALA 3 -8.745 -2.970 -14.395 13 1HB ALA 3 1HB ALA 3 -8.946 -5.322 -14.739 14 2HB ALA 3 2HB ALA 3 -10.065 -4.524 -15.843 15 3HB ALA 3 3HB ALA 3 -10.670 -5.287 -14.373 16 H ALA 4 H ALA 4 -10.100 -1.158 -13.013 17 HA ALA 4 HA ALA 4 -11.921 -0.087 -14.873 18 1HB ALA 4 1HB ALA 4 -13.118 -1.472 -12.496 19 2HB ALA 4 2HB ALA 4 -13.572 -1.594 -14.195 20 3HB ALA 4 3HB ALA 4 -13.936 -0.126 -13.288 21 H GLU 5 H GLU 5 -11.933 -0.062 -11.310 22 HA GLU 5 HA GLU 5 -10.357 2.075 -10.743 23 1HB GLU 5 2HB GLU 5 -12.156 3.924 -10.520 24 2HB GLU 5 1HB GLU 5 -11.450 3.628 -12.102 25 1HG GLU 5 2HG GLU 5 -13.390 2.937 -12.982 26 2HG GLU 5 1HG GLU 5 -13.861 2.064 -11.525 27 H VAL 6 H VAL 6 -10.630 0.143 -9.190 28 HA VAL 6 HA VAL 6 -12.529 0.927 -7.075 29 HB VAL 6 HB VAL 6 -11.557 -1.884 -7.589 30 1HG1 VAL 6 1HG1 VAL 6 -13.631 -2.333 -6.117 31 2HG1 VAL 6 2HG1 VAL 6 -13.470 -0.641 -5.649 32 3HG1 VAL 6 3HG1 VAL 6 -12.149 -1.770 -5.345 33 1HG2 VAL 6 1HG2 VAL 6 -12.923 -1.620 -9.408 34 2HG2 VAL 6 2HG2 VAL 6 -13.923 -0.400 -8.618 35 3HG2 VAL 6 3HG2 VAL 6 -14.111 -2.102 -8.197 36 H MET 7 H MET 7 -11.838 0.406 -4.880 37 HA MET 7 HA MET 7 -10.357 0.455 -3.155 38 1HB MET 7 2HB MET 7 -9.465 -1.558 -4.739 39 2HB MET 7 1HB MET 7 -8.054 -0.508 -4.735 40 1HG MET 7 2HG MET 7 -7.517 -1.643 -2.887 41 2HG MET 7 1HG MET 7 -8.646 -0.538 -2.105 42 1HE MET 7 1HE MET 7 -9.677 -4.665 -3.699 43 2HE MET 7 2HE MET 7 -8.182 -4.613 -2.767 44 3HE MET 7 3HE MET 7 -8.367 -3.593 -4.193 45 H LYS 8 H LYS 8 -8.114 1.339 -2.521 46 HA LYS 8 HA LYS 8 -7.153 3.432 -4.299 47 1HB LYS 8 2HB LYS 8 -8.903 4.596 -3.127 48 2HB LYS 8 1HB LYS 8 -8.350 3.975 -1.578 49 1HG LYS 8 2HG LYS 8 -6.223 5.248 -1.927 50 2HG LYS 8 1HG LYS 8 -6.976 5.989 -3.340 51 1HD LYS 8 2HD LYS 8 -7.173 7.425 -1.370 52 2HD LYS 8 1HD LYS 8 -8.757 6.884 -1.926 53 1HE LYS 8 2HE LYS 8 -7.468 5.157 0.076 54 2HE LYS 8 1HE LYS 8 -7.912 6.766 0.646 55 1HZ LYS 8 1HZ LYS 8 -9.919 5.312 -0.890 56 2HZ LYS 8 2HZ LYS 8 -10.108 6.329 0.448 57 3HZ LYS 8 3HZ LYS 8 -9.590 4.734 0.666 58 H LYS 9 H LYS 9 -6.832 2.955 -0.796 59 HA LYS 9 HA LYS 9 -4.050 2.104 -1.188 60 1HB LYS 9 2HB LYS 9 -4.938 4.269 0.731 61 2HB LYS 9 1HB LYS 9 -3.311 3.621 0.603 62 1HG LYS 9 2HG LYS 9 -2.809 4.917 -1.134 63 2HG LYS 9 1HG LYS 9 -4.346 4.594 -1.937 64 1HD LYS 9 2HD LYS 9 -4.414 6.887 -1.490 65 2HD LYS 9 1HD LYS 9 -5.364 6.173 -0.186 66 1HE LYS 9 2HE LYS 9 -3.059 6.144 1.060 67 2HE LYS 9 1HE LYS 9 -2.643 7.396 -0.108 68 1HZ LYS 9 1HZ LYS 9 -3.505 8.647 1.574 69 2HZ LYS 9 2HZ LYS 9 -4.607 7.462 2.067 70 3HZ LYS 9 3HZ LYS 9 -4.916 8.380 0.680 71 H TYR 10 H TYR 10 -5.921 0.287 -0.668 72 HA TYR 10 HA TYR 10 -5.201 -0.640 1.975 73 1HB TYR 10 2HB TYR 10 -7.158 0.647 2.555 74 2HB TYR 10 1HB TYR 10 -8.077 -0.066 1.235 75 HD1 TYR 10 1HD TYR 10 -7.169 -0.334 4.681 76 HD2 TYR 10 2HD TYR 10 -8.558 -2.576 1.345 77 HE1 TYR 10 1HE TYR 10 -7.976 -2.085 6.205 78 HE2 TYR 10 2HE TYR 10 -9.371 -4.335 2.859 79 HH TYR 10 HH TYR 10 -10.059 -4.569 5.209 80 H CYS 11 H CYS 11 -5.019 -2.815 2.017 81 HA CYS 11 HA CYS 11 -5.816 -4.246 -0.412 82 1HB CYS 11 2HB CYS 11 -3.426 -4.318 0.583 83 2HB CYS 11 1HB CYS 11 -4.110 -5.422 1.765 84 H SER 12 H SER 12 -7.512 -5.531 -0.432 85 HA SER 12 HA SER 12 -8.960 -6.088 1.997 86 1HB SER 12 2HB SER 12 -10.033 -5.540 -0.238 87 2HB SER 12 1HB SER 12 -9.562 -7.156 -0.765 88 HG SER 12 HG SER 12 -11.735 -6.542 0.485 89 H THR 13 H THR 13 -6.666 -7.699 -0.009 90 HA THR 13 HA THR 13 -7.313 -10.355 0.882 91 HB THR 13 HB THR 13 -4.721 -9.546 -0.407 92 HG1 THR 13 1HG THR 13 -6.030 -8.690 -1.859 93 1HG2 THR 13 1HG2 THR 13 -6.118 -11.908 -1.370 94 2HG2 THR 13 2HG2 THR 13 -5.663 -12.002 0.332 95 3HG2 THR 13 3HG2 THR 13 -4.432 -11.695 -0.895 96 H CYS 14 H CYS 14 -4.843 -7.918 1.628 97 HA CYS 14 HA CYS 14 -3.806 -9.656 3.750 98 1HB CYS 14 2HB CYS 14 -2.692 -7.027 2.766 99 2HB CYS 14 1HB CYS 14 -1.900 -8.176 3.839 100 H ASP 15 H ASP 15 -6.158 -7.387 3.448 101 HA ASP 15 HA ASP 15 -7.242 -5.966 4.847 102 1HB ASP 15 2HB ASP 15 -6.032 -7.832 6.896 103 2HB ASP 15 1HB ASP 15 -7.333 -6.691 7.216 104 H ILE 16 H ILE 16 -4.772 -5.014 3.994 105 HA ILE 16 HA ILE 16 -3.730 -3.628 6.376 106 HB ILE 16 HB ILE 16 -2.312 -3.765 3.727 107 1HG1 ILE 16 2HG1 ILE 16 -2.752 -6.074 4.517 108 2HG1 ILE 16 1HG1 ILE 16 -1.040 -5.671 4.542 109 1HG2 ILE 16 1HG2 ILE 16 -1.574 -3.023 6.530 110 2HG2 ILE 16 2HG2 ILE 16 -1.341 -2.115 5.038 111 3HG2 ILE 16 3HG2 ILE 16 -0.340 -3.527 5.377 112 1HD1 ILE 16 1HD1 ILE 16 -2.825 -5.545 6.957 113 2HD1 ILE 16 2HD1 ILE 16 -1.067 -5.407 6.908 114 3HD1 ILE 16 3HD1 ILE 16 -1.843 -6.943 6.521 115 H SER 17 H SER 17 -3.015 -1.370 6.001 116 HA SER 17 HA SER 17 -4.638 -0.029 3.946 117 1HB SER 17 2HB SER 17 -4.500 1.817 5.997 118 2HB SER 17 1HB SER 17 -5.888 0.791 5.637 119 HG SER 17 HG SER 17 -3.812 0.309 7.506 120 H PHE 18 H PHE 18 -3.858 2.055 3.276 121 HA PHE 18 HA PHE 18 -1.074 2.649 3.937 122 1HB PHE 18 2HB PHE 18 -2.196 2.241 1.163 123 2HB PHE 18 1HB PHE 18 -0.657 3.027 1.478 124 HD1 PHE 18 1HD PHE 18 1.019 1.638 2.947 125 HD2 PHE 18 2HD PHE 18 -2.249 -0.017 0.781 126 HE1 PHE 18 1HE PHE 18 2.117 -0.564 2.978 127 HE2 PHE 18 2HE PHE 18 -1.157 -2.221 0.809 128 HZ PHE 18 HZ PHE 18 1.028 -2.498 1.909 129 H ASN 19 H ASN 19 -0.706 4.775 4.179 130 HA ASN 19 HA ASN 19 -2.930 6.599 3.724 131 1HB ASN 19 2HB ASN 19 -0.479 6.618 5.408 132 2HB ASN 19 1HB ASN 19 -1.099 8.178 4.877 133 1HD2 ASN 19 1HD2 ASN 19 -0.971 7.018 7.549 134 2HD2 ASN 19 2HD2 ASN 19 -2.593 7.010 8.144 135 H TYR 20 H TYR 20 -0.853 5.496 1.658 136 HA TYR 20 HA TYR 20 -0.731 7.953 0.151 137 1HB TYR 20 2HB TYR 20 1.740 6.567 1.163 138 2HB TYR 20 1HB TYR 20 1.770 7.524 -0.313 139 HD1 TYR 20 1HD TYR 20 1.269 9.966 -0.206 140 HD2 TYR 20 2HD TYR 20 1.730 7.604 3.302 141 HE1 TYR 20 1HE TYR 20 1.596 12.010 1.121 142 HE2 TYR 20 2HE TYR 20 2.057 9.641 4.638 143 HH TYR 20 HH TYR 20 1.442 12.078 4.463 144 H VAL 21 H VAL 21 -1.265 7.479 -1.871 145 HA VAL 21 HA VAL 21 -1.829 4.975 -2.849 146 HB VAL 21 HB VAL 21 -0.866 7.278 -4.549 147 1HG1 VAL 21 1HG1 VAL 21 -2.207 6.304 -6.294 148 2HG1 VAL 21 2HG1 VAL 21 -2.794 5.053 -5.199 149 3HG1 VAL 21 3HG1 VAL 21 -1.097 5.080 -5.678 150 1HG2 VAL 21 1HG2 VAL 21 -3.532 6.739 -3.273 151 2HG2 VAL 21 2HG2 VAL 21 -3.367 7.753 -4.707 152 3HG2 VAL 21 3HG2 VAL 21 -2.556 8.206 -3.207 153 H LYS 22 H LYS 22 1.251 6.594 -2.698 154 HA LYS 22 HA LYS 22 2.646 4.987 -4.557 155 1HB LYS 22 2HB LYS 22 4.665 5.882 -3.574 156 2HB LYS 22 1HB LYS 22 3.473 7.168 -3.707 157 1HG LYS 22 2HG LYS 22 2.988 6.238 -1.197 158 2HG LYS 22 1HG LYS 22 4.731 6.000 -1.338 159 1HD LYS 22 2HD LYS 22 4.689 8.438 -2.281 160 2HD LYS 22 1HD LYS 22 3.144 8.529 -1.433 161 1HE LYS 22 2HE LYS 22 4.991 9.339 -0.042 162 2HE LYS 22 1HE LYS 22 4.229 7.907 0.652 163 1HZ LYS 22 1HZ LYS 22 6.061 6.648 0.301 164 2HZ LYS 22 2HZ LYS 22 6.836 8.145 0.430 165 3HZ LYS 22 3HZ LYS 22 6.528 7.481 -1.095 166 H THR 23 H THR 23 1.867 4.605 -1.164 167 HA THR 23 HA THR 23 3.615 2.386 -0.744 168 HB THR 23 HB THR 23 1.218 2.662 0.973 169 HG1 THR 23 1HG THR 23 1.932 4.567 1.888 170 1HG2 THR 23 1HG2 THR 23 4.168 2.472 1.515 171 2HG2 THR 23 2HG2 THR 23 2.948 1.218 1.739 172 3HG2 THR 23 3HG2 THR 23 2.936 2.652 2.765 173 H TYR 24 H TYR 24 0.216 2.772 -1.577 174 HA TYR 24 HA TYR 24 -0.495 0.048 -1.397 175 1HB TYR 24 2HB TYR 24 -2.121 1.937 -1.537 176 2HB TYR 24 1HB TYR 24 -1.677 2.149 -3.225 177 HD1 TYR 24 1HD TYR 24 -3.243 1.336 -4.699 178 HD2 TYR 24 2HD TYR 24 -2.617 -0.744 -1.042 179 HE1 TYR 24 1HE TYR 24 -4.939 -0.318 -5.357 180 HE2 TYR 24 2HE TYR 24 -4.310 -2.405 -1.689 181 HH TYR 24 HH TYR 24 -5.579 -2.597 -4.860 182 H LEU 25 H LEU 25 1.092 1.958 -3.826 183 HA LEU 25 HA LEU 25 0.867 0.004 -5.920 184 1HB LEU 25 2HB LEU 25 2.477 2.516 -5.553 185 2HB LEU 25 1HB LEU 25 2.763 1.451 -6.915 186 HG LEU 25 HG LEU 25 -0.026 2.377 -6.436 187 1HD1 LEU 25 1HD1 LEU 25 1.802 4.297 -6.320 188 2HD1 LEU 25 2HD1 LEU 25 0.263 4.513 -7.154 189 3HD1 LEU 25 3HD1 LEU 25 1.718 4.127 -8.073 190 1HD2 LEU 25 1HD2 LEU 25 -0.049 1.059 -8.277 191 2HD2 LEU 25 2HD2 LEU 25 1.644 1.371 -8.658 192 3HD2 LEU 25 3HD2 LEU 25 0.413 2.566 -9.068 193 H ALA 26 H ALA 26 3.323 0.994 -3.593 194 HA ALA 26 HA ALA 26 5.358 -0.732 -4.472 195 1HB ALA 26 1HB ALA 26 5.090 0.097 -1.611 196 2HB ALA 26 2HB ALA 26 5.467 1.287 -2.857 197 3HB ALA 26 3HB ALA 26 6.546 -0.083 -2.590 198 H HIS 27 H HIS 27 2.589 -1.199 -2.378 199 HA HIS 27 HA HIS 27 3.497 -3.653 -1.238 200 1HB HIS 27 2HB HIS 27 1.823 -2.402 -0.052 201 2HB HIS 27 1HB HIS 27 0.744 -2.421 -1.444 202 HD1 HIS 27 1HD HIS 27 2.213 -4.829 1.111 203 HD2 HIS 27 2HD HIS 27 -0.958 -4.521 -1.554 204 HE1 HIS 27 1HE HIS 27 0.751 -6.854 1.507 205 H LYS 28 H LYS 28 1.458 -2.812 -4.001 206 HA LYS 28 HA LYS 28 0.768 -5.511 -4.622 207 1HB LYS 28 2HB LYS 28 -0.282 -3.162 -5.354 208 2HB LYS 28 1HB LYS 28 0.749 -3.436 -6.752 209 1HG LYS 28 2HG LYS 28 -0.388 -5.399 -7.345 210 2HG LYS 28 1HG LYS 28 -1.173 -5.517 -5.769 211 1HD LYS 28 2HD LYS 28 -2.652 -3.772 -6.244 212 2HD LYS 28 1HD LYS 28 -1.656 -3.169 -7.571 213 1HE LYS 28 2HE LYS 28 -2.672 -5.928 -7.844 214 2HE LYS 28 1HE LYS 28 -3.877 -4.644 -7.925 215 1HZ LYS 28 1HZ LYS 28 -2.677 -3.625 -9.716 216 2HZ LYS 28 2HZ LYS 28 -2.950 -5.248 -10.107 217 3HZ LYS 28 3HZ LYS 28 -1.420 -4.751 -9.589 218 H GLN 29 H GLN 29 3.335 -3.324 -5.581 219 HA GLN 29 HA GLN 29 4.326 -5.127 -7.617 220 1HB GLN 29 2HB GLN 29 4.453 -2.454 -7.394 221 2HB GLN 29 1HB GLN 29 5.999 -2.871 -6.665 222 1HG GLN 29 2HG GLN 29 6.679 -2.696 -8.810 223 2HG GLN 29 1HG GLN 29 6.172 -4.384 -8.841 224 1HE2 GLN 29 1HE2 GLN 29 5.925 -1.459 -10.363 225 2HE2 GLN 29 2HE2 GLN 29 4.500 -1.746 -11.296 226 H PHE 30 H PHE 30 4.846 -4.569 -4.250 227 HA PHE 30 HA PHE 30 7.351 -6.100 -4.326 228 1HB PHE 30 2HB PHE 30 7.150 -3.835 -3.115 229 2HB PHE 30 1HB PHE 30 6.244 -4.720 -1.893 230 HD1 PHE 30 1HD PHE 30 9.405 -3.586 -2.802 231 HD2 PHE 30 2HD PHE 30 7.446 -6.950 -1.082 232 HE1 PHE 30 1HE PHE 30 11.517 -4.268 -1.739 233 HE2 PHE 30 2HE PHE 30 9.553 -7.638 -0.016 234 HZ PHE 30 HZ PHE 30 11.592 -6.297 -0.343 235 H TYR 31 H TYR 31 4.296 -5.937 -2.491 236 HA TYR 31 HA TYR 31 4.748 -8.457 -1.216 237 1HB TYR 31 2HB TYR 31 3.275 -6.441 -0.447 238 2HB TYR 31 1HB TYR 31 2.036 -7.196 -1.444 239 HD1 TYR 31 1HD TYR 31 3.940 -7.398 1.648 240 HD2 TYR 31 2HD TYR 31 1.157 -9.422 -0.852 241 HE1 TYR 31 1HE TYR 31 3.379 -8.908 3.506 242 HE2 TYR 31 2HE TYR 31 0.586 -10.937 0.999 243 HH TYR 31 HH TYR 31 0.684 -10.852 3.545 244 H HIS 32 H HIS 32 2.471 -7.372 -3.735 245 HA HIS 32 HA HIS 32 1.915 -10.169 -4.389 246 1HB HIS 32 2HB HIS 32 0.587 -7.632 -5.366 247 2HB HIS 32 1HB HIS 32 0.074 -9.270 -5.757 248 HD1 HIS 32 1HD HIS 32 -1.443 -10.432 -4.073 249 HD2 HIS 32 2HD HIS 32 0.203 -6.900 -2.632 250 HE1 HIS 32 1HE HIS 32 -2.612 -9.942 -1.881 251 H LYS 33 H LYS 33 4.480 -9.219 -5.039 252 HA LYS 33 HA LYS 33 4.710 -10.035 -7.706 253 1HB LYS 33 2HB LYS 33 4.277 -7.161 -7.297 254 2HB LYS 33 1HB LYS 33 5.705 -7.534 -8.252 255 1HG LYS 33 2HG LYS 33 3.356 -9.060 -9.055 256 2HG LYS 33 1HG LYS 33 3.145 -7.316 -9.202 257 1HD LYS 33 2HD LYS 33 4.176 -7.542 -11.179 258 2HD LYS 33 1HD LYS 33 5.656 -7.687 -10.231 259 1HE LYS 33 2HE LYS 33 3.917 -9.995 -11.094 260 2HE LYS 33 1HE LYS 33 5.397 -9.487 -11.906 261 1HZ LYS 33 1HZ LYS 33 6.326 -10.996 -10.552 262 2HZ LYS 33 2HZ LYS 33 5.054 -10.964 -9.438 263 3HZ LYS 33 3HZ LYS 33 6.249 -9.768 -9.390 264 H ASN 34 H ASN 34 6.185 -11.222 -6.239 265 HA ASN 34 HA ASN 34 8.655 -9.757 -5.636 266 1HB ASN 34 2HB ASN 34 9.241 -11.714 -4.243 267 2HB ASN 34 1HB ASN 34 7.709 -10.990 -3.760 268 1HD2 ASN 34 1HD2 ASN 34 8.596 -13.637 -3.199 269 2HD2 ASN 34 2HD2 ASN 34 7.482 -14.723 -3.948 270 H LYS 35 H LYS 35 7.930 -10.525 -8.339 271 HA LYS 35 HA LYS 35 10.392 -11.537 -9.218 272 1HB LYS 35 2HB LYS 35 8.942 -13.592 -8.238 273 2HB LYS 35 1HB LYS 35 8.357 -13.579 -9.897 274 1HG LYS 35 2HG LYS 35 10.165 -15.105 -9.796 275 2HG LYS 35 1HG LYS 35 10.743 -13.670 -10.646 276 1HD LYS 35 2HD LYS 35 12.465 -14.248 -9.143 277 2HD LYS 35 1HD LYS 35 11.633 -12.879 -8.401 278 1HE LYS 35 2HE LYS 35 11.792 -14.292 -6.604 279 2HE LYS 35 1HE LYS 35 10.224 -14.773 -7.251 280 1HZ LYS 35 1HZ LYS 35 12.093 -16.520 -6.676 281 2HZ LYS 35 2HZ LYS 35 12.580 -16.175 -8.259 282 3HZ LYS 35 3HZ LYS 35 11.020 -16.757 -7.963 283 HA PRO 36 HA PRO 36 7.374 -9.551 -12.268 284 1HB PRO 36 2HB PRO 36 8.683 -7.195 -12.567 285 2HB PRO 36 1HB PRO 36 7.451 -7.455 -11.326 286 1HG PRO 36 2HG PRO 36 10.434 -7.538 -11.081 287 2HG PRO 36 1HG PRO 36 9.243 -6.800 -9.994 288 1HD PRO 36 2HD PRO 36 10.376 -9.209 -9.497 289 2HD PRO 36 1HD PRO 36 8.719 -8.811 -8.998 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 -23.098 -1.365 2.352 2 2H GLY 1 2HT GLY 1 -23.407 -0.806 0.785 3 3H GLY 1 3HT GLY 1 -24.163 -0.072 2.109 4 1HA GLY 1 1HA GLY 1 -22.484 1.418 1.587 5 2HA GLY 1 2HA GLY 1 -21.836 0.485 2.926 6 H SER 2 H SER 2 -21.476 -1.891 1.169 7 HA SER 2 HA SER 2 -19.336 -0.957 -0.602 8 1HB SER 2 2HB SER 2 -19.030 -2.643 1.825 9 2HB SER 2 1HB SER 2 -18.114 -3.133 0.400 10 HG SER 2 HG SER 2 -18.004 -0.681 1.802 11 H ALA 3 H ALA 3 -19.739 -1.762 -2.543 12 HA ALA 3 HA ALA 3 -21.196 -4.296 -2.772 13 1HB ALA 3 1HB ALA 3 -20.959 -1.876 -4.454 14 2HB ALA 3 2HB ALA 3 -22.354 -2.909 -4.138 15 3HB ALA 3 3HB ALA 3 -21.126 -3.416 -5.298 16 H ALA 4 H ALA 4 -18.350 -4.162 -2.093 17 HA ALA 4 HA ALA 4 -16.398 -5.212 -2.608 18 1HB ALA 4 1HB ALA 4 -17.733 -6.773 -4.769 19 2HB ALA 4 2HB ALA 4 -18.233 -7.016 -3.094 20 3HB ALA 4 3HB ALA 4 -16.555 -7.294 -3.564 21 H GLU 5 H GLU 5 -15.114 -3.665 -3.470 22 HA GLU 5 HA GLU 5 -14.098 -3.787 -5.983 23 1HB GLU 5 2HB GLU 5 -15.185 -1.678 -7.020 24 2HB GLU 5 1HB GLU 5 -16.047 -3.206 -7.128 25 1HG GLU 5 2HG GLU 5 -17.748 -2.478 -5.876 26 2HG GLU 5 1HG GLU 5 -16.686 -1.644 -4.742 27 H VAL 6 H VAL 6 -12.685 -3.367 -3.972 28 HA VAL 6 HA VAL 6 -12.386 -0.544 -3.331 29 HB VAL 6 HB VAL 6 -12.207 -2.206 -1.525 30 1HG1 VAL 6 1HG1 VAL 6 -9.524 -3.106 -2.308 31 2HG1 VAL 6 2HG1 VAL 6 -10.840 -3.740 -3.296 32 3HG1 VAL 6 3HG1 VAL 6 -10.847 -3.994 -1.551 33 1HG2 VAL 6 1HG2 VAL 6 -9.735 -0.604 -2.147 34 2HG2 VAL 6 2HG2 VAL 6 -10.010 -1.405 -0.600 35 3HG2 VAL 6 3HG2 VAL 6 -11.106 -0.135 -1.143 36 H MET 7 H MET 7 -10.555 0.682 -3.774 37 HA MET 7 HA MET 7 -8.224 -0.301 -5.016 38 1HB MET 7 2HB MET 7 -10.007 -0.541 -6.853 39 2HB MET 7 1HB MET 7 -9.970 1.215 -6.941 40 1HG MET 7 2HG MET 7 -7.409 -0.286 -7.125 41 2HG MET 7 1HG MET 7 -8.488 -0.257 -8.518 42 1HE MET 7 1HE MET 7 -5.267 1.765 -7.479 43 2HE MET 7 2HE MET 7 -6.314 1.376 -6.114 44 3HE MET 7 3HE MET 7 -6.095 3.055 -6.607 45 H LYS 8 H LYS 8 -7.547 1.098 -3.267 46 HA LYS 8 HA LYS 8 -7.058 3.790 -4.216 47 1HB LYS 8 2HB LYS 8 -9.110 4.182 -3.046 48 2HB LYS 8 1HB LYS 8 -8.578 3.229 -1.668 49 1HG LYS 8 2HG LYS 8 -6.836 4.912 -1.212 50 2HG LYS 8 1HG LYS 8 -7.457 5.882 -2.550 51 1HD LYS 8 2HD LYS 8 -9.355 5.009 -0.430 52 2HD LYS 8 1HD LYS 8 -8.225 6.314 -0.060 53 1HE LYS 8 2HE LYS 8 -9.018 7.457 -2.149 54 2HE LYS 8 1HE LYS 8 -10.271 6.223 -2.270 55 1HZ LYS 8 1HZ LYS 8 -11.195 8.108 -1.188 56 2HZ LYS 8 2HZ LYS 8 -9.911 8.204 -0.091 57 3HZ LYS 8 3HZ LYS 8 -10.998 6.911 -0.009 58 H LYS 9 H LYS 9 -6.872 2.652 -0.875 59 HA LYS 9 HA LYS 9 -4.009 2.163 -1.124 60 1HB LYS 9 2HB LYS 9 -5.206 4.316 0.622 61 2HB LYS 9 1HB LYS 9 -3.603 3.652 0.890 62 1HG LYS 9 2HG LYS 9 -2.792 5.145 -0.520 63 2HG LYS 9 1HG LYS 9 -3.690 4.361 -1.819 64 1HD LYS 9 2HD LYS 9 -5.029 6.129 -2.007 65 2HD LYS 9 1HD LYS 9 -5.471 6.015 -0.304 66 1HE LYS 9 2HE LYS 9 -2.832 7.107 -0.545 67 2HE LYS 9 1HE LYS 9 -3.944 8.014 -1.568 68 1HZ LYS 9 1HZ LYS 9 -4.036 7.617 1.354 69 2HZ LYS 9 2HZ LYS 9 -5.430 8.044 0.496 70 3HZ LYS 9 3HZ LYS 9 -4.080 9.063 0.477 71 H TYR 10 H TYR 10 -5.937 0.280 -0.692 72 HA TYR 10 HA TYR 10 -5.182 -0.712 1.921 73 1HB TYR 10 2HB TYR 10 -7.307 0.665 2.220 74 2HB TYR 10 1HB TYR 10 -8.121 -0.559 1.251 75 HD1 TYR 10 1HD TYR 10 -7.281 0.420 4.519 76 HD2 TYR 10 2HD TYR 10 -7.783 -3.038 2.092 77 HE1 TYR 10 1HE TYR 10 -7.622 -0.939 6.538 78 HE2 TYR 10 2HE TYR 10 -8.127 -4.408 4.105 79 HH TYR 10 HH TYR 10 -7.237 -3.737 6.961 80 H CYS 11 H CYS 11 -4.973 -2.890 1.911 81 HA CYS 11 HA CYS 11 -5.566 -4.244 -0.595 82 1HB CYS 11 2HB CYS 11 -3.334 -4.442 0.599 83 2HB CYS 11 1HB CYS 11 -4.162 -5.433 1.794 84 H SER 12 H SER 12 -7.220 -5.535 -0.908 85 HA SER 12 HA SER 12 -9.019 -6.154 1.280 86 1HB SER 12 2HB SER 12 -9.504 -5.450 -1.284 87 2HB SER 12 1HB SER 12 -9.588 -7.206 -1.430 88 HG SER 12 HG SER 12 -11.054 -7.054 0.459 89 H THR 13 H THR 13 -6.320 -7.510 0.843 90 HA THR 13 HA THR 13 -7.327 -10.244 1.096 91 HB THR 13 HB THR 13 -4.851 -9.440 -0.438 92 HG1 THR 13 1HG THR 13 -6.841 -9.033 -1.535 93 1HG2 THR 13 1HG2 THR 13 -4.310 -11.602 -0.748 94 2HG2 THR 13 2HG2 THR 13 -5.986 -12.146 -0.691 95 3HG2 THR 13 3HG2 THR 13 -5.124 -11.786 0.804 96 H CYS 14 H CYS 14 -4.834 -7.879 1.828 97 HA CYS 14 HA CYS 14 -3.750 -9.669 3.890 98 1HB CYS 14 2HB CYS 14 -2.628 -7.057 2.862 99 2HB CYS 14 1HB CYS 14 -1.838 -8.160 3.982 100 H ASP 15 H ASP 15 -6.103 -7.416 3.675 101 HA ASP 15 HA ASP 15 -7.169 -6.028 5.118 102 1HB ASP 15 2HB ASP 15 -5.807 -7.839 7.119 103 2HB ASP 15 1HB ASP 15 -7.112 -6.722 7.500 104 H ILE 16 H ILE 16 -4.793 -4.998 4.128 105 HA ILE 16 HA ILE 16 -3.728 -3.508 6.439 106 HB ILE 16 HB ILE 16 -2.281 -3.779 3.818 107 1HG1 ILE 16 2HG1 ILE 16 -2.707 -6.049 4.696 108 2HG1 ILE 16 1HG1 ILE 16 -1.000 -5.630 4.754 109 1HG2 ILE 16 1HG2 ILE 16 -0.323 -3.419 5.422 110 2HG2 ILE 16 2HG2 ILE 16 -1.545 -2.948 6.604 111 3HG2 ILE 16 3HG2 ILE 16 -1.379 -2.044 5.099 112 1HD1 ILE 16 1HD1 ILE 16 -1.937 -6.826 6.763 113 2HD1 ILE 16 2HD1 ILE 16 -2.815 -5.339 7.124 114 3HD1 ILE 16 3HD1 ILE 16 -1.051 -5.336 7.087 115 H SER 17 H SER 17 -3.041 -1.278 5.950 116 HA SER 17 HA SER 17 -4.576 -0.064 3.757 117 1HB SER 17 2HB SER 17 -5.700 0.152 6.047 118 2HB SER 17 1HB SER 17 -4.361 1.214 6.485 119 HG SER 17 HG SER 17 -5.186 2.741 5.291 120 H PHE 18 H PHE 18 -3.841 2.181 3.267 121 HA PHE 18 HA PHE 18 -1.071 2.712 4.009 122 1HB PHE 18 2HB PHE 18 -2.115 2.456 1.185 123 2HB PHE 18 1HB PHE 18 -0.564 3.174 1.594 124 HD1 PHE 18 1HD PHE 18 1.091 1.701 2.907 125 HD2 PHE 18 2HD PHE 18 -2.299 0.181 0.832 126 HE1 PHE 18 1HE PHE 18 2.120 -0.534 2.870 127 HE2 PHE 18 2HE PHE 18 -1.277 -2.056 0.792 128 HZ PHE 18 HZ PHE 18 0.934 -2.417 1.813 129 H ASN 19 H ASN 19 -0.590 4.840 4.169 130 HA ASN 19 HA ASN 19 -2.805 6.711 3.869 131 1HB ASN 19 2HB ASN 19 -0.987 6.434 5.856 132 2HB ASN 19 1HB ASN 19 -0.201 7.680 4.892 133 1HD2 ASN 19 1HD2 ASN 19 -2.942 6.872 6.855 134 2HD2 ASN 19 2HD2 ASN 19 -3.539 8.481 7.046 135 H TYR 20 H TYR 20 -0.805 5.571 1.718 136 HA TYR 20 HA TYR 20 -0.752 8.010 0.175 137 1HB TYR 20 2HB TYR 20 1.744 6.698 1.193 138 2HB TYR 20 1HB TYR 20 1.755 7.492 -0.377 139 HD1 TYR 20 1HD TYR 20 1.461 9.917 -0.547 140 HD2 TYR 20 2HD TYR 20 1.590 7.974 3.236 141 HE1 TYR 20 1HE TYR 20 1.826 12.088 0.550 142 HE2 TYR 20 2HE TYR 20 1.956 10.139 4.343 143 HH TYR 20 HH TYR 20 2.841 12.918 2.697 144 H VAL 21 H VAL 21 -1.260 7.537 -1.862 145 HA VAL 21 HA VAL 21 -1.893 5.012 -2.774 146 HB VAL 21 HB VAL 21 -0.937 7.252 -4.557 147 1HG1 VAL 21 1HG1 VAL 21 -1.245 5.443 -5.949 148 2HG1 VAL 21 2HG1 VAL 21 -2.849 6.175 -5.976 149 3HG1 VAL 21 3HG1 VAL 21 -2.540 4.766 -4.961 150 1HG2 VAL 21 1HG2 VAL 21 -3.437 7.794 -4.630 151 2HG2 VAL 21 2HG2 VAL 21 -2.536 8.291 -3.197 152 3HG2 VAL 21 3HG2 VAL 21 -3.555 6.852 -3.144 153 H LYS 22 H LYS 22 1.197 6.622 -2.741 154 HA LYS 22 HA LYS 22 2.541 4.966 -4.592 155 1HB LYS 22 2HB LYS 22 3.368 6.855 -2.437 156 2HB LYS 22 1HB LYS 22 4.575 5.744 -3.071 157 1HG LYS 22 2HG LYS 22 2.940 7.592 -4.792 158 2HG LYS 22 1HG LYS 22 4.538 7.988 -4.157 159 1HD LYS 22 2HD LYS 22 5.350 5.855 -5.266 160 2HD LYS 22 1HD LYS 22 3.792 5.809 -6.094 161 1HE LYS 22 2HE LYS 22 5.674 8.161 -6.188 162 2HE LYS 22 1HE LYS 22 5.657 6.873 -7.392 163 1HZ LYS 22 1HZ LYS 22 4.279 9.044 -7.742 164 2HZ LYS 22 2HZ LYS 22 3.144 8.254 -6.769 165 3HZ LYS 22 3HZ LYS 22 3.652 7.546 -8.219 166 H THR 23 H THR 23 1.918 4.708 -1.144 167 HA THR 23 HA THR 23 3.652 2.490 -0.719 168 HB THR 23 HB THR 23 1.296 2.812 1.047 169 HG1 THR 23 1HG THR 23 1.875 4.764 1.799 170 1HG2 THR 23 1HG2 THR 23 3.103 1.377 1.747 171 2HG2 THR 23 2HG2 THR 23 2.997 2.781 2.808 172 3HG2 THR 23 3HG2 THR 23 4.254 2.701 1.574 173 H TYR 24 H TYR 24 0.228 2.838 -1.469 174 HA TYR 24 HA TYR 24 -0.446 0.106 -1.205 175 1HB TYR 24 2HB TYR 24 -2.080 2.012 -1.314 176 2HB TYR 24 1HB TYR 24 -1.742 2.134 -3.035 177 HD1 TYR 24 1HD TYR 24 -3.667 1.458 -4.142 178 HD2 TYR 24 2HD TYR 24 -2.252 -0.860 -0.867 179 HE1 TYR 24 1HE TYR 24 -5.392 -0.234 -4.602 180 HE2 TYR 24 2HE TYR 24 -3.973 -2.559 -1.318 181 HH TYR 24 HH TYR 24 -5.702 -2.713 -4.163 182 H LEU 25 H LEU 25 1.040 1.984 -3.717 183 HA LEU 25 HA LEU 25 0.719 0.011 -5.781 184 1HB LEU 25 2HB LEU 25 2.419 2.484 -5.518 185 2HB LEU 25 1HB LEU 25 2.534 1.421 -6.907 186 HG LEU 25 HG LEU 25 0.088 2.961 -6.038 187 1HD1 LEU 25 1HD1 LEU 25 0.487 3.939 -8.392 188 2HD1 LEU 25 2HD1 LEU 25 2.129 3.328 -8.194 189 3HD1 LEU 25 3HD1 LEU 25 1.483 4.508 -7.054 190 1HD2 LEU 25 1HD2 LEU 25 0.509 0.831 -8.087 191 2HD2 LEU 25 2HD2 LEU 25 -0.661 2.118 -8.385 192 3HD2 LEU 25 3HD2 LEU 25 -0.840 1.071 -6.977 193 H ALA 26 H ALA 26 3.265 0.992 -3.550 194 HA ALA 26 HA ALA 26 5.265 -0.734 -4.494 195 1HB ALA 26 1HB ALA 26 5.224 1.267 -2.703 196 2HB ALA 26 2HB ALA 26 6.529 0.085 -2.813 197 3HB ALA 26 3HB ALA 26 5.254 -0.119 -1.612 198 H HIS 27 H HIS 27 2.556 -1.222 -2.325 199 HA HIS 27 HA HIS 27 3.492 -3.670 -1.211 200 1HB HIS 27 2HB HIS 27 1.805 -2.424 -0.026 201 2HB HIS 27 1HB HIS 27 0.715 -2.492 -1.407 202 HD1 HIS 27 1HD HIS 27 2.267 -4.824 1.169 203 HD2 HIS 27 2HD HIS 27 -0.940 -4.628 -1.462 204 HE1 HIS 27 1HE HIS 27 0.851 -6.872 1.618 205 H LYS 28 H LYS 28 1.408 -2.870 -3.957 206 HA LYS 28 HA LYS 28 0.793 -5.597 -4.566 207 1HB LYS 28 2HB LYS 28 -0.408 -3.325 -5.237 208 2HB LYS 28 1HB LYS 28 0.629 -3.468 -6.650 209 1HG LYS 28 2HG LYS 28 -1.131 -4.614 -7.457 210 2HG LYS 28 1HG LYS 28 -0.370 -5.951 -6.592 211 1HD LYS 28 2HD LYS 28 -1.821 -5.612 -4.697 212 2HD LYS 28 1HD LYS 28 -2.509 -4.165 -5.437 213 1HE LYS 28 2HE LYS 28 -2.825 -7.030 -6.289 214 2HE LYS 28 1HE LYS 28 -4.079 -5.890 -5.801 215 1HZ LYS 28 1HZ LYS 28 -2.484 -5.843 -8.302 216 2HZ LYS 28 2HZ LYS 28 -3.488 -4.573 -7.813 217 3HZ LYS 28 3HZ LYS 28 -4.151 -6.092 -8.150 218 H GLN 29 H GLN 29 3.236 -3.295 -5.584 219 HA GLN 29 HA GLN 29 4.243 -5.044 -7.659 220 1HB GLN 29 2HB GLN 29 4.277 -2.353 -7.370 221 2HB GLN 29 1HB GLN 29 5.882 -2.751 -6.774 222 1HG GLN 29 2HG GLN 29 6.250 -2.379 -9.016 223 2HG GLN 29 1HG GLN 29 6.097 -4.133 -8.939 224 1HE2 GLN 29 1HE2 GLN 29 5.753 -3.383 -11.328 225 2HE2 GLN 29 2HE2 GLN 29 4.099 -3.234 -11.800 226 H PHE 30 H PHE 30 4.701 -4.713 -4.303 227 HA PHE 30 HA PHE 30 7.301 -6.088 -4.475 228 1HB PHE 30 2HB PHE 30 7.117 -3.817 -3.273 229 2HB PHE 30 1HB PHE 30 6.274 -4.706 -2.008 230 HD1 PHE 30 1HD PHE 30 9.395 -4.978 -4.039 231 HD2 PHE 30 2HD PHE 30 7.525 -5.465 -0.247 232 HE1 PHE 30 1HE PHE 30 11.558 -5.623 -3.059 233 HE2 PHE 30 2HE PHE 30 9.684 -6.111 0.740 234 HZ PHE 30 HZ PHE 30 11.705 -6.191 -0.667 235 H TYR 31 H TYR 31 4.313 -5.960 -2.530 236 HA TYR 31 HA TYR 31 4.857 -8.457 -1.243 237 1HB TYR 31 2HB TYR 31 3.292 -6.389 -0.577 238 2HB TYR 31 1HB TYR 31 2.078 -7.404 -1.347 239 HD1 TYR 31 1HD TYR 31 4.610 -7.332 1.359 240 HD2 TYR 31 2HD TYR 31 1.170 -9.270 -0.226 241 HE1 TYR 31 1HE TYR 31 4.401 -8.641 3.430 242 HE2 TYR 31 2HE TYR 31 0.950 -10.583 1.841 243 HH TYR 31 HH TYR 31 1.993 -9.948 4.545 244 H HIS 32 H HIS 32 2.464 -7.444 -3.683 245 HA HIS 32 HA HIS 32 1.924 -10.253 -4.284 246 1HB HIS 32 2HB HIS 32 0.556 -7.737 -5.258 247 2HB HIS 32 1HB HIS 32 0.047 -9.379 -5.632 248 HD1 HIS 32 1HD HIS 32 -1.445 -10.534 -3.920 249 HD2 HIS 32 2HD HIS 32 0.242 -7.008 -2.511 250 HE1 HIS 32 1HE HIS 32 -2.572 -10.038 -1.706 251 H LYS 33 H LYS 33 4.459 -9.422 -5.023 252 HA LYS 33 HA LYS 33 4.519 -10.152 -7.749 253 1HB LYS 33 2HB LYS 33 3.904 -7.521 -7.517 254 2HB LYS 33 1HB LYS 33 5.659 -7.432 -7.548 255 1HG LYS 33 2HG LYS 33 3.892 -8.696 -9.633 256 2HG LYS 33 1HG LYS 33 4.773 -7.173 -9.776 257 1HD LYS 33 2HD LYS 33 6.167 -9.777 -9.224 258 2HD LYS 33 1HD LYS 33 5.813 -9.235 -10.865 259 1HE LYS 33 2HE LYS 33 7.239 -7.407 -10.702 260 2HE LYS 33 1HE LYS 33 7.225 -7.431 -8.939 261 1HZ LYS 33 1HZ LYS 33 8.829 -8.997 -8.856 262 2HZ LYS 33 2HZ LYS 33 9.235 -8.370 -10.374 263 3HZ LYS 33 3HZ LYS 33 8.314 -9.784 -10.263 264 H ASN 34 H ASN 34 5.739 -11.147 -5.502 265 HA ASN 34 HA ASN 34 8.434 -11.297 -6.308 266 1HB ASN 34 2HB ASN 34 8.459 -9.022 -5.256 267 2HB ASN 34 1HB ASN 34 8.020 -9.777 -3.727 268 1HD2 ASN 34 1HD2 ASN 34 10.021 -8.775 -3.002 269 2HD2 ASN 34 2HD2 ASN 34 11.512 -9.612 -3.249 270 H LYS 35 H LYS 35 6.301 -13.059 -5.648 271 HA LYS 35 HA LYS 35 5.912 -15.017 -4.559 272 1HB LYS 35 2HB LYS 35 8.531 -15.042 -5.080 273 2HB LYS 35 1HB LYS 35 8.618 -15.038 -3.324 274 1HG LYS 35 2HG LYS 35 8.692 -17.297 -4.027 275 2HG LYS 35 1HG LYS 35 7.094 -17.025 -3.333 276 1HD LYS 35 2HD LYS 35 6.145 -16.784 -5.560 277 2HD LYS 35 1HD LYS 35 7.745 -16.981 -6.279 278 1HE LYS 35 2HE LYS 35 7.089 -19.133 -6.462 279 2HE LYS 35 1HE LYS 35 7.636 -19.213 -4.788 280 1HZ LYS 35 1HZ LYS 35 4.860 -18.926 -5.779 281 2HZ LYS 35 2HZ LYS 35 5.283 -18.643 -4.166 282 3HZ LYS 35 3HZ LYS 35 5.507 -20.177 -4.842 283 HA PRO 36 HA PRO 36 5.136 -12.810 -0.583 284 1HB PRO 36 2HB PRO 36 2.544 -13.586 -0.379 285 2HB PRO 36 1HB PRO 36 3.052 -12.177 -1.318 286 1HG PRO 36 2HG PRO 36 2.402 -14.945 -2.257 287 2HG PRO 36 1HG PRO 36 1.941 -13.386 -2.966 288 1HD PRO 36 2HD PRO 36 3.985 -14.877 -3.931 289 2HD PRO 36 1HD PRO 36 3.987 -13.103 -3.989 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 -13.850 5.367 -14.690 2 2H GLY 1 2HT GLY 1 -15.056 4.699 -15.669 3 3H GLY 1 3HT GLY 1 -14.440 3.815 -14.364 4 1HA GLY 1 1HA GLY 1 -16.084 6.281 -14.233 5 2HA GLY 1 2HA GLY 1 -16.575 4.665 -13.751 6 H SER 2 H SER 2 -16.128 3.959 -11.727 7 HA SER 2 HA SER 2 -14.084 5.082 -10.090 8 1HB SER 2 2HB SER 2 -16.239 6.709 -10.174 9 2HB SER 2 1HB SER 2 -16.723 5.637 -8.860 10 HG SER 2 HG SER 2 -15.025 7.660 -8.766 11 H ALA 3 H ALA 3 -14.997 2.487 -10.943 12 HA ALA 3 HA ALA 3 -15.492 1.295 -8.299 13 1HB ALA 3 1HB ALA 3 -17.561 1.236 -9.641 14 2HB ALA 3 2HB ALA 3 -16.942 -0.375 -9.276 15 3HB ALA 3 3HB ALA 3 -16.706 0.318 -10.881 16 H ALA 4 H ALA 4 -12.975 1.704 -9.507 17 HA ALA 4 HA ALA 4 -12.151 -1.090 -9.904 18 1HB ALA 4 1HB ALA 4 -11.027 -0.699 -11.827 19 2HB ALA 4 2HB ALA 4 -10.606 0.953 -11.374 20 3HB ALA 4 3HB ALA 4 -12.218 0.591 -11.991 21 H GLU 5 H GLU 5 -12.038 -0.050 -7.452 22 HA GLU 5 HA GLU 5 -9.516 -0.427 -6.526 23 1HB GLU 5 2HB GLU 5 -9.779 2.239 -7.708 24 2HB GLU 5 1HB GLU 5 -9.212 2.279 -6.045 25 1HG GLU 5 2HG GLU 5 -7.898 0.318 -7.803 26 2HG GLU 5 1HG GLU 5 -7.602 2.016 -8.174 27 H VAL 6 H VAL 6 -11.532 -1.248 -5.317 28 HA VAL 6 HA VAL 6 -13.035 0.414 -3.644 29 HB VAL 6 HB VAL 6 -12.208 -2.417 -3.001 30 1HG1 VAL 6 1HG1 VAL 6 -14.719 -2.228 -2.135 31 2HG1 VAL 6 2HG1 VAL 6 -14.253 -0.534 -1.977 32 3HG1 VAL 6 3HG1 VAL 6 -13.336 -1.783 -1.134 33 1HG2 VAL 6 1HG2 VAL 6 -14.431 -2.958 -4.149 34 2HG2 VAL 6 2HG2 VAL 6 -13.051 -2.582 -5.181 35 3HG2 VAL 6 3HG2 VAL 6 -14.291 -1.363 -4.889 36 H MET 7 H MET 7 -12.477 1.605 -1.949 37 HA MET 7 HA MET 7 -11.331 2.446 -0.174 38 1HB MET 7 2HB MET 7 -10.225 -0.335 0.208 39 2HB MET 7 1HB MET 7 -10.433 0.914 1.427 40 1HG MET 7 2HG MET 7 -12.691 0.567 1.600 41 2HG MET 7 1HG MET 7 -12.825 -0.086 -0.032 42 1HE MET 7 1HE MET 7 -11.069 -2.415 3.545 43 2HE MET 7 2HE MET 7 -11.757 -0.798 3.678 44 3HE MET 7 3HE MET 7 -10.255 -1.046 2.788 45 H LYS 8 H LYS 8 -9.971 3.762 -1.407 46 HA LYS 8 HA LYS 8 -7.646 2.954 -2.717 47 1HB LYS 8 2HB LYS 8 -7.186 5.201 -3.019 48 2HB LYS 8 1HB LYS 8 -8.920 5.228 -2.743 49 1HG LYS 8 2HG LYS 8 -6.796 5.845 -0.697 50 2HG LYS 8 1HG LYS 8 -7.800 7.023 -1.544 51 1HD LYS 8 2HD LYS 8 -8.965 4.822 0.144 52 2HD LYS 8 1HD LYS 8 -8.516 6.392 0.812 53 1HE LYS 8 2HE LYS 8 -10.236 7.468 -0.203 54 2HE LYS 8 1HE LYS 8 -10.197 6.419 -1.620 55 1HZ LYS 8 1HZ LYS 8 -11.517 5.966 0.978 56 2HZ LYS 8 2HZ LYS 8 -11.107 4.657 -0.013 57 3HZ LYS 8 3HZ LYS 8 -12.165 5.848 -0.581 58 H LYS 9 H LYS 9 -5.548 2.696 -2.123 59 HA LYS 9 HA LYS 9 -3.760 2.268 -0.794 60 1HB LYS 9 2HB LYS 9 -4.860 4.139 1.278 61 2HB LYS 9 1HB LYS 9 -3.188 3.853 0.822 62 1HG LYS 9 2HG LYS 9 -3.296 5.242 -0.998 63 2HG LYS 9 1HG LYS 9 -5.041 5.054 -1.176 64 1HD LYS 9 2HD LYS 9 -5.184 6.272 1.090 65 2HD LYS 9 1HD LYS 9 -3.516 6.750 0.771 66 1HE LYS 9 2HE LYS 9 -4.099 8.159 -0.906 67 2HE LYS 9 1HE LYS 9 -5.444 7.148 -1.433 68 1HZ LYS 9 1HZ LYS 9 -5.377 9.189 0.685 69 2HZ LYS 9 2HZ LYS 9 -6.495 7.923 0.785 70 3HZ LYS 9 3HZ LYS 9 -6.512 8.963 -0.550 71 H TYR 10 H TYR 10 -5.735 0.414 -0.601 72 HA TYR 10 HA TYR 10 -5.280 -0.638 2.052 73 1HB TYR 10 2HB TYR 10 -7.402 0.815 2.131 74 2HB TYR 10 1HB TYR 10 -8.143 -0.432 1.134 75 HD1 TYR 10 1HD TYR 10 -7.681 0.657 4.412 76 HD2 TYR 10 2HD TYR 10 -7.781 -2.906 2.090 77 HE1 TYR 10 1HE TYR 10 -8.201 -0.639 6.435 78 HE2 TYR 10 2HE TYR 10 -8.302 -4.212 4.107 79 HH TYR 10 HH TYR 10 -8.000 -2.955 7.241 80 H CYS 11 H CYS 11 -4.886 -2.756 1.874 81 HA CYS 11 HA CYS 11 -5.433 -4.063 -0.654 82 1HB CYS 11 2HB CYS 11 -3.254 -4.301 0.631 83 2HB CYS 11 1HB CYS 11 -4.134 -5.317 1.764 84 H SER 12 H SER 12 -7.068 -5.355 -1.069 85 HA SER 12 HA SER 12 -8.979 -5.982 1.017 86 1HB SER 12 2HB SER 12 -9.389 -5.214 -1.499 87 2HB SER 12 1HB SER 12 -9.348 -6.956 -1.776 88 HG SER 12 HG SER 12 -11.006 -5.639 0.116 89 H THR 13 H THR 13 -6.268 -7.370 0.684 90 HA THR 13 HA THR 13 -7.328 -10.087 0.901 91 HB THR 13 HB THR 13 -4.792 -9.321 -0.555 92 HG1 THR 13 1HG THR 13 -6.845 -8.939 -1.652 93 1HG2 THR 13 1HG2 THR 13 -6.027 -11.987 0.032 94 2HG2 THR 13 2HG2 THR 13 -4.375 -11.446 0.327 95 3HG2 THR 13 3HG2 THR 13 -4.927 -11.733 -1.323 96 H CYS 14 H CYS 14 -4.817 -7.765 1.714 97 HA CYS 14 HA CYS 14 -3.804 -9.575 3.790 98 1HB CYS 14 2HB CYS 14 -2.695 -6.930 2.831 99 2HB CYS 14 1HB CYS 14 -1.933 -8.004 3.998 100 H ASP 15 H ASP 15 -6.123 -7.236 3.500 101 HA ASP 15 HA ASP 15 -7.266 -5.921 4.959 102 1HB ASP 15 2HB ASP 15 -6.635 -8.310 6.297 103 2HB ASP 15 1HB ASP 15 -6.308 -7.024 7.453 104 H ILE 16 H ILE 16 -4.757 -4.994 4.106 105 HA ILE 16 HA ILE 16 -3.790 -3.528 6.472 106 HB ILE 16 HB ILE 16 -2.266 -3.780 3.891 107 1HG1 ILE 16 2HG1 ILE 16 -2.739 -6.054 4.737 108 2HG1 ILE 16 1HG1 ILE 16 -1.030 -5.651 4.854 109 1HG2 ILE 16 1HG2 ILE 16 -0.352 -3.455 5.556 110 2HG2 ILE 16 2HG2 ILE 16 -1.603 -2.979 6.704 111 3HG2 ILE 16 3HG2 ILE 16 -1.383 -2.066 5.212 112 1HD1 ILE 16 1HD1 ILE 16 -2.124 -6.850 6.822 113 2HD1 ILE 16 2HD1 ILE 16 -2.876 -5.296 7.181 114 3HD1 ILE 16 3HD1 ILE 16 -1.119 -5.443 7.171 115 H SER 17 H SER 17 -3.051 -1.299 6.047 116 HA SER 17 HA SER 17 -4.533 -0.020 3.853 117 1HB SER 17 2HB SER 17 -4.657 1.919 5.723 118 2HB SER 17 1HB SER 17 -5.919 0.704 5.519 119 HG SER 17 HG SER 17 -3.728 0.484 7.311 120 H PHE 18 H PHE 18 -3.732 2.173 3.341 121 HA PHE 18 HA PHE 18 -0.953 2.644 4.098 122 1HB PHE 18 2HB PHE 18 -2.007 2.408 1.278 123 2HB PHE 18 1HB PHE 18 -0.454 3.128 1.675 124 HD1 PHE 18 1HD PHE 18 1.322 1.713 2.708 125 HD2 PHE 18 2HD PHE 18 -2.302 0.077 1.192 126 HE1 PHE 18 1HE PHE 18 2.354 -0.520 2.659 127 HE2 PHE 18 2HE PHE 18 -1.277 -2.159 1.142 128 HZ PHE 18 HZ PHE 18 1.053 -2.461 1.875 129 H ASN 19 H ASN 19 -0.434 4.759 4.293 130 HA ASN 19 HA ASN 19 -2.595 6.672 4.169 131 1HB ASN 19 2HB ASN 19 0.147 6.612 5.315 132 2HB ASN 19 1HB ASN 19 -0.515 8.191 4.902 133 1HD2 ASN 19 1HD2 ASN 19 -0.138 8.234 7.345 134 2HD2 ASN 19 2HD2 ASN 19 -1.503 7.826 8.321 135 H TYR 20 H TYR 20 -0.622 5.505 1.853 136 HA TYR 20 HA TYR 20 -0.941 7.884 0.222 137 1HB TYR 20 2HB TYR 20 1.711 6.737 1.011 138 2HB TYR 20 1HB TYR 20 1.521 7.457 -0.584 139 HD1 TYR 20 1HD TYR 20 -0.046 9.792 -0.247 140 HD2 TYR 20 2HD TYR 20 2.834 8.163 2.428 141 HE1 TYR 20 1HE TYR 20 0.316 12.026 0.715 142 HE2 TYR 20 2HE TYR 20 3.202 10.392 3.398 143 HH TYR 20 HH TYR 20 1.392 12.722 3.398 144 H VAL 21 H VAL 21 -1.563 7.352 -1.778 145 HA VAL 21 HA VAL 21 -2.182 4.759 -2.537 146 HB VAL 21 HB VAL 21 -1.511 6.902 -4.545 147 1HG1 VAL 21 1HG1 VAL 21 -2.926 5.786 -5.991 148 2HG1 VAL 21 2HG1 VAL 21 -3.802 4.988 -4.685 149 3HG1 VAL 21 3HG1 VAL 21 -2.177 4.452 -5.113 150 1HG2 VAL 21 1HG2 VAL 21 -2.886 8.158 -3.200 151 2HG2 VAL 21 2HG2 VAL 21 -3.779 6.755 -2.616 152 3HG2 VAL 21 3HG2 VAL 21 -4.076 7.375 -4.239 153 H LYS 22 H LYS 22 0.807 6.519 -2.856 154 HA LYS 22 HA LYS 22 2.052 4.865 -4.782 155 1HB LYS 22 2HB LYS 22 3.223 6.614 -2.612 156 2HB LYS 22 1HB LYS 22 4.180 5.822 -3.858 157 1HG LYS 22 2HG LYS 22 1.969 7.787 -4.414 158 2HG LYS 22 1HG LYS 22 3.681 8.207 -4.321 159 1HD LYS 22 2HD LYS 22 3.946 6.300 -6.087 160 2HD LYS 22 1HD LYS 22 2.229 6.591 -6.373 161 1HE LYS 22 2HE LYS 22 3.921 8.997 -6.255 162 2HE LYS 22 1HE LYS 22 4.232 7.922 -7.617 163 1HZ LYS 22 1HZ LYS 22 1.445 8.558 -7.043 164 2HZ LYS 22 2HZ LYS 22 2.222 8.345 -8.529 165 3HZ LYS 22 3HZ LYS 22 2.392 9.803 -7.688 166 H THR 23 H THR 23 1.803 4.723 -1.274 167 HA THR 23 HA THR 23 3.656 2.608 -0.920 168 HB THR 23 HB THR 23 1.398 2.848 0.985 169 HG1 THR 23 1HG THR 23 2.064 4.834 1.729 170 1HG2 THR 23 1HG2 THR 23 4.378 2.961 1.375 171 2HG2 THR 23 2HG2 THR 23 3.368 1.526 1.550 172 3HG2 THR 23 3HG2 THR 23 3.158 2.891 2.647 173 H TYR 24 H TYR 24 0.167 2.737 -1.396 174 HA TYR 24 HA TYR 24 -0.341 -0.012 -1.043 175 1HB TYR 24 2HB TYR 24 -2.058 1.820 -1.095 176 2HB TYR 24 1HB TYR 24 -1.854 1.890 -2.840 177 HD1 TYR 24 1HD TYR 24 -3.927 1.171 -3.654 178 HD2 TYR 24 2HD TYR 24 -1.963 -1.119 -0.655 179 HE1 TYR 24 1HE TYR 24 -5.602 -0.609 -3.925 180 HE2 TYR 24 2HE TYR 24 -3.630 -2.907 -0.919 181 HH TYR 24 HH TYR 24 -5.700 -3.122 -3.512 182 H LEU 25 H LEU 25 0.890 1.862 -3.696 183 HA LEU 25 HA LEU 25 0.527 -0.177 -5.686 184 1HB LEU 25 2HB LEU 25 1.967 2.443 -5.551 185 2HB LEU 25 1HB LEU 25 2.352 1.325 -6.845 186 HG LEU 25 HG LEU 25 -0.515 1.988 -6.393 187 1HD1 LEU 25 1HD1 LEU 25 1.154 3.806 -8.074 188 2HD1 LEU 25 2HD1 LEU 25 0.975 4.114 -6.348 189 3HD1 LEU 25 3HD1 LEU 25 -0.449 4.069 -7.388 190 1HD2 LEU 25 1HD2 LEU 25 -0.270 0.472 -8.109 191 2HD2 LEU 25 2HD2 LEU 25 1.255 1.171 -8.653 192 3HD2 LEU 25 3HD2 LEU 25 -0.265 2.000 -8.988 193 H ALA 26 H ALA 26 3.181 0.993 -3.677 194 HA ALA 26 HA ALA 26 5.181 -0.693 -4.680 195 1HB ALA 26 1HB ALA 26 5.185 1.356 -2.955 196 2HB ALA 26 2HB ALA 26 6.510 0.199 -3.079 197 3HB ALA 26 3HB ALA 26 5.293 0.015 -1.814 198 H HIS 27 H HIS 27 2.628 -1.202 -2.340 199 HA HIS 27 HA HIS 27 3.691 -3.602 -1.232 200 1HB HIS 27 2HB HIS 27 2.084 -2.439 0.085 201 2HB HIS 27 1HB HIS 27 0.925 -2.391 -1.240 202 HD1 HIS 27 1HD HIS 27 2.452 -4.870 1.202 203 HD2 HIS 27 2HD HIS 27 -0.785 -4.495 -1.373 204 HE1 HIS 27 1HE HIS 27 0.982 -6.888 1.607 205 H LYS 28 H LYS 28 1.472 -2.879 -3.879 206 HA LYS 28 HA LYS 28 0.815 -5.613 -4.394 207 1HB LYS 28 2HB LYS 28 -0.355 -3.304 -5.090 208 2HB LYS 28 1HB LYS 28 0.572 -3.590 -6.556 209 1HG LYS 28 2HG LYS 28 -0.669 -5.390 -7.161 210 2HG LYS 28 1HG LYS 28 -1.013 -5.853 -5.494 211 1HD LYS 28 2HD LYS 28 -2.856 -4.542 -5.369 212 2HD LYS 28 1HD LYS 28 -2.160 -3.286 -6.395 213 1HE LYS 28 2HE LYS 28 -2.612 -4.574 -8.373 214 2HE LYS 28 1HE LYS 28 -3.142 -5.949 -7.407 215 1HZ LYS 28 1HZ LYS 28 -5.118 -4.954 -6.902 216 2HZ LYS 28 2HZ LYS 28 -4.860 -4.300 -8.440 217 3HZ LYS 28 3HZ LYS 28 -4.515 -3.381 -7.063 218 H GLN 29 H GLN 29 3.212 -3.347 -5.594 219 HA GLN 29 HA GLN 29 4.130 -5.169 -7.647 220 1HB GLN 29 2HB GLN 29 4.166 -2.474 -7.470 221 2HB GLN 29 1HB GLN 29 5.794 -2.837 -6.913 222 1HG GLN 29 2HG GLN 29 5.902 -4.326 -9.038 223 2HG GLN 29 1HG GLN 29 4.551 -3.331 -9.579 224 1HE2 GLN 29 1HE2 GLN 29 7.779 -3.016 -8.143 225 2HE2 GLN 29 2HE2 GLN 29 8.237 -1.622 -9.056 226 H PHE 30 H PHE 30 4.745 -4.684 -4.332 227 HA PHE 30 HA PHE 30 7.349 -6.038 -4.553 228 1HB PHE 30 2HB PHE 30 7.156 -3.765 -3.373 229 2HB PHE 30 1HB PHE 30 6.335 -4.641 -2.086 230 HD1 PHE 30 1HD PHE 30 9.264 -5.594 -4.174 231 HD2 PHE 30 2HD PHE 30 7.784 -4.679 -0.291 232 HE1 PHE 30 1HE PHE 30 11.443 -6.201 -3.205 233 HE2 PHE 30 2HE PHE 30 9.961 -5.283 0.686 234 HZ PHE 30 HZ PHE 30 11.793 -6.047 -0.772 235 H TYR 31 H TYR 31 4.421 -5.951 -2.516 236 HA TYR 31 HA TYR 31 5.045 -8.437 -1.244 237 1HB TYR 31 2HB TYR 31 3.461 -6.381 -0.545 238 2HB TYR 31 1HB TYR 31 2.246 -7.450 -1.239 239 HD1 TYR 31 1HD TYR 31 4.555 -6.917 1.528 240 HD2 TYR 31 2HD TYR 31 1.796 -9.642 -0.222 241 HE1 TYR 31 1HE TYR 31 4.485 -8.187 3.631 242 HE2 TYR 31 2HE TYR 31 1.718 -10.920 1.878 243 HH TYR 31 HH TYR 31 3.666 -11.083 4.006 244 H HIS 32 H HIS 32 2.631 -7.451 -3.667 245 HA HIS 32 HA HIS 32 2.030 -10.262 -4.193 246 1HB HIS 32 2HB HIS 32 0.723 -7.735 -5.220 247 2HB HIS 32 1HB HIS 32 0.185 -9.370 -5.586 248 HD1 HIS 32 1HD HIS 32 -1.305 -10.510 -3.855 249 HD2 HIS 32 2HD HIS 32 0.356 -6.946 -2.509 250 HE1 HIS 32 1HE HIS 32 -2.454 -9.971 -1.665 251 H LYS 33 H LYS 33 4.586 -9.501 -4.951 252 HA LYS 33 HA LYS 33 4.596 -10.271 -7.683 253 1HB LYS 33 2HB LYS 33 4.917 -7.390 -7.014 254 2HB LYS 33 1HB LYS 33 5.987 -8.057 -8.239 255 1HG LYS 33 2HG LYS 33 3.694 -9.003 -9.181 256 2HG LYS 33 1HG LYS 33 3.063 -7.602 -8.314 257 1HD LYS 33 2HD LYS 33 5.164 -6.480 -9.583 258 2HD LYS 33 1HD LYS 33 4.731 -7.739 -10.741 259 1HE LYS 33 2HE LYS 33 2.938 -5.576 -9.650 260 2HE LYS 33 1HE LYS 33 3.551 -5.715 -11.297 261 1HZ LYS 33 1HZ LYS 33 1.710 -7.638 -9.979 262 2HZ LYS 33 2HZ LYS 33 2.280 -7.746 -11.567 263 3HZ LYS 33 3HZ LYS 33 1.260 -6.473 -11.122 264 H ASN 34 H ASN 34 5.734 -11.364 -5.438 265 HA ASN 34 HA ASN 34 8.409 -11.716 -6.234 266 1HB ASN 34 2HB ASN 34 8.225 -9.380 -4.903 267 2HB ASN 34 1HB ASN 34 8.455 -10.473 -3.542 268 1HD2 ASN 34 1HD2 ASN 34 9.755 -10.316 -6.841 269 2HD2 ASN 34 2HD2 ASN 34 11.416 -10.375 -6.371 270 H LYS 35 H LYS 35 6.155 -13.312 -5.570 271 HA LYS 35 HA LYS 35 7.377 -15.294 -3.991 272 1HB LYS 35 2HB LYS 35 6.828 -13.765 -2.144 273 2HB LYS 35 1HB LYS 35 5.137 -13.788 -2.627 274 1HG LYS 35 2HG LYS 35 5.543 -16.419 -2.329 275 2HG LYS 35 1HG LYS 35 6.724 -15.801 -1.170 276 1HD LYS 35 2HD LYS 35 3.805 -15.040 -1.241 277 2HD LYS 35 1HD LYS 35 4.511 -16.237 -0.154 278 1HE LYS 35 2HE LYS 35 5.822 -13.599 -0.177 279 2HE LYS 35 1HE LYS 35 4.181 -13.629 0.470 280 1HZ LYS 35 1HZ LYS 35 5.469 -14.061 2.313 281 2HZ LYS 35 2HZ LYS 35 6.588 -15.004 1.465 282 3HZ LYS 35 3HZ LYS 35 5.055 -15.625 1.819 283 HA PRO 36 HA PRO 36 4.007 -16.755 -6.757 284 1HB PRO 36 2HB PRO 36 5.332 -18.960 -7.612 285 2HB PRO 36 1HB PRO 36 5.571 -17.363 -8.330 286 1HG PRO 36 2HG PRO 36 7.241 -18.795 -6.299 287 2HG PRO 36 1HG PRO 36 7.758 -17.868 -7.721 288 1HD PRO 36 2HD PRO 36 7.803 -16.844 -5.212 289 2HD PRO 36 1HD PRO 36 7.506 -15.844 -6.648 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 -18.204 -4.317 8.505 2 2H GLY 1 2HT GLY 1 -18.343 -3.478 7.043 3 3H GLY 1 3HT GLY 1 -19.368 -3.101 8.335 4 1HA GLY 1 1HA GLY 1 -17.758 -1.994 9.513 5 2HA GLY 1 2HA GLY 1 -16.464 -2.865 8.704 6 H SER 2 H SER 2 -19.229 -0.987 7.473 7 HA SER 2 HA SER 2 -19.350 0.754 6.016 8 1HB SER 2 2HB SER 2 -16.755 1.302 7.419 9 2HB SER 2 1HB SER 2 -17.254 2.318 6.066 10 HG SER 2 HG SER 2 -19.100 2.871 7.193 11 H ALA 3 H ALA 3 -19.379 -0.643 4.206 12 HA ALA 3 HA ALA 3 -16.826 -0.856 2.754 13 1HB ALA 3 1HB ALA 3 -18.479 -2.880 3.397 14 2HB ALA 3 2HB ALA 3 -17.436 -2.886 1.976 15 3HB ALA 3 3HB ALA 3 -19.134 -2.436 1.820 16 H ALA 4 H ALA 4 -18.220 1.579 2.734 17 HA ALA 4 HA ALA 4 -19.567 1.662 0.134 18 1HB ALA 4 1HB ALA 4 -19.887 4.140 0.917 19 2HB ALA 4 2HB ALA 4 -19.499 3.472 2.502 20 3HB ALA 4 3HB ALA 4 -20.879 2.851 1.596 21 H GLU 5 H GLU 5 -16.650 1.292 0.453 22 HA GLU 5 HA GLU 5 -15.651 2.657 -1.669 23 1HB GLU 5 2HB GLU 5 -14.231 4.439 -0.443 24 2HB GLU 5 1HB GLU 5 -15.912 4.807 -0.797 25 1HG GLU 5 2HG GLU 5 -16.357 5.121 1.346 26 2HG GLU 5 1HG GLU 5 -15.707 3.537 1.765 27 H VAL 6 H VAL 6 -15.040 0.291 -1.170 28 HA VAL 6 HA VAL 6 -12.678 0.056 0.522 29 HB VAL 6 HB VAL 6 -14.401 -1.706 0.621 30 1HG1 VAL 6 1HG1 VAL 6 -14.575 -1.449 -2.076 31 2HG1 VAL 6 2HG1 VAL 6 -15.203 -2.817 -1.157 32 3HG1 VAL 6 3HG1 VAL 6 -13.623 -2.925 -1.931 33 1HG2 VAL 6 1HG2 VAL 6 -12.494 -2.667 1.365 34 2HG2 VAL 6 2HG2 VAL 6 -11.578 -2.216 -0.073 35 3HG2 VAL 6 3HG2 VAL 6 -12.656 -3.611 -0.116 36 H MET 7 H MET 7 -11.904 1.711 -1.322 37 HA MET 7 HA MET 7 -9.928 0.259 -2.804 38 1HB MET 7 2HB MET 7 -11.906 0.083 -4.301 39 2HB MET 7 1HB MET 7 -11.974 1.838 -4.374 40 1HG MET 7 2HG MET 7 -9.679 1.824 -5.329 41 2HG MET 7 1HG MET 7 -9.766 0.064 -5.387 42 1HE MET 7 1HE MET 7 -10.802 3.070 -8.262 43 2HE MET 7 2HE MET 7 -9.609 1.830 -8.653 44 3HE MET 7 3HE MET 7 -9.476 2.738 -7.147 45 H LYS 8 H LYS 8 -8.658 1.599 -1.402 46 HA LYS 8 HA LYS 8 -7.635 3.890 -2.635 47 1HB LYS 8 2HB LYS 8 -9.701 4.980 -1.953 48 2HB LYS 8 1HB LYS 8 -9.459 4.458 -0.292 49 1HG LYS 8 2HG LYS 8 -7.184 5.791 -0.601 50 2HG LYS 8 1HG LYS 8 -8.148 6.641 -1.809 51 1HD LYS 8 2HD LYS 8 -8.287 7.768 0.342 52 2HD LYS 8 1HD LYS 8 -9.858 7.100 -0.108 53 1HE LYS 8 2HE LYS 8 -9.726 5.399 1.472 54 2HE LYS 8 1HE LYS 8 -7.974 5.535 1.612 55 1HZ LYS 8 1HZ LYS 8 -9.813 7.687 2.485 56 2HZ LYS 8 2HZ LYS 8 -8.173 7.502 2.861 57 3HZ LYS 8 3HZ LYS 8 -9.315 6.442 3.518 58 H LYS 9 H LYS 9 -5.750 2.717 -2.142 59 HA LYS 9 HA LYS 9 -3.890 2.200 -0.939 60 1HB LYS 9 2HB LYS 9 -4.782 4.082 1.219 61 2HB LYS 9 1HB LYS 9 -3.159 3.774 0.621 62 1HG LYS 9 2HG LYS 9 -3.622 4.988 -1.407 63 2HG LYS 9 1HG LYS 9 -5.305 5.206 -0.926 64 1HD LYS 9 2HD LYS 9 -4.363 6.370 1.154 65 2HD LYS 9 1HD LYS 9 -2.837 6.432 0.269 66 1HE LYS 9 2HE LYS 9 -3.579 8.015 -1.161 67 2HE LYS 9 1HE LYS 9 -5.210 7.349 -1.215 68 1HZ LYS 9 1HZ LYS 9 -5.252 8.257 1.231 69 2HZ LYS 9 2HZ LYS 9 -5.590 9.269 -0.082 70 3HZ LYS 9 3HZ LYS 9 -4.059 9.302 0.637 71 H TYR 10 H TYR 10 -5.804 0.356 -0.632 72 HA TYR 10 HA TYR 10 -5.267 -0.667 2.018 73 1HB TYR 10 2HB TYR 10 -7.381 0.754 2.186 74 2HB TYR 10 1HB TYR 10 -8.151 -0.447 1.156 75 HD1 TYR 10 1HD TYR 10 -7.633 0.518 4.463 76 HD2 TYR 10 2HD TYR 10 -7.797 -2.959 2.017 77 HE1 TYR 10 1HE TYR 10 -8.136 -0.846 6.446 78 HE2 TYR 10 2HE TYR 10 -8.302 -4.333 3.993 79 HH TYR 10 HH TYR 10 -7.966 -3.170 7.175 80 H CYS 11 H CYS 11 -4.861 -2.779 1.852 81 HA CYS 11 HA CYS 11 -5.451 -4.116 -0.648 82 1HB CYS 11 2HB CYS 11 -3.244 -4.313 0.600 83 2HB CYS 11 1HB CYS 11 -4.091 -5.341 1.749 84 H SER 12 H SER 12 -7.099 -5.402 -1.015 85 HA SER 12 HA SER 12 -8.937 -6.059 1.128 86 1HB SER 12 2HB SER 12 -9.388 -5.309 -1.419 87 2HB SER 12 1HB SER 12 -9.435 -7.061 -1.620 88 HG SER 12 HG SER 12 -10.954 -7.014 0.213 89 H THR 13 H THR 13 -6.227 -7.411 0.713 90 HA THR 13 HA THR 13 -7.241 -10.144 0.925 91 HB THR 13 HB THR 13 -4.748 -9.329 -0.573 92 HG1 THR 13 1HG THR 13 -7.299 -10.183 -1.439 93 1HG2 THR 13 1HG2 THR 13 -5.817 -11.960 0.248 94 2HG2 THR 13 2HG2 THR 13 -4.151 -11.428 0.018 95 3HG2 THR 13 3HG2 THR 13 -5.152 -11.820 -1.380 96 H CYS 14 H CYS 14 -4.753 -7.790 1.709 97 HA CYS 14 HA CYS 14 -3.661 -9.606 3.738 98 1HB CYS 14 2HB CYS 14 -2.618 -6.938 2.769 99 2HB CYS 14 1HB CYS 14 -1.815 -7.996 3.922 100 H ASP 15 H ASP 15 -6.009 -7.275 3.523 101 HA ASP 15 HA ASP 15 -7.146 -6.013 5.030 102 1HB ASP 15 2HB ASP 15 -6.413 -8.399 6.330 103 2HB ASP 15 1HB ASP 15 -6.110 -7.110 7.490 104 H ILE 16 H ILE 16 -4.703 -4.998 4.119 105 HA ILE 16 HA ILE 16 -3.726 -3.524 6.477 106 HB ILE 16 HB ILE 16 -2.204 -3.766 3.896 107 1HG1 ILE 16 2HG1 ILE 16 -2.640 -6.044 4.753 108 2HG1 ILE 16 1HG1 ILE 16 -0.937 -5.613 4.866 109 1HG2 ILE 16 1HG2 ILE 16 -0.291 -3.397 5.548 110 2HG2 ILE 16 2HG2 ILE 16 -1.544 -2.947 6.705 111 3HG2 ILE 16 3HG2 ILE 16 -1.353 -2.029 5.212 112 1HD1 ILE 16 1HD1 ILE 16 -2.001 -6.819 6.840 113 2HD1 ILE 16 2HD1 ILE 16 -2.790 -5.282 7.192 114 3HD1 ILE 16 3HD1 ILE 16 -1.030 -5.388 7.183 115 H SER 17 H SER 17 -3.025 -1.284 6.035 116 HA SER 17 HA SER 17 -4.541 -0.047 3.839 117 1HB SER 17 2HB SER 17 -4.674 1.901 5.707 118 2HB SER 17 1HB SER 17 -5.929 0.680 5.495 119 HG SER 17 HG SER 17 -3.794 0.643 7.361 120 H PHE 18 H PHE 18 -3.793 2.168 3.324 121 HA PHE 18 HA PHE 18 -1.022 2.711 4.056 122 1HB PHE 18 2HB PHE 18 -2.071 2.402 1.240 123 2HB PHE 18 1HB PHE 18 -0.530 3.154 1.625 124 HD1 PHE 18 1HD PHE 18 1.249 1.773 2.736 125 HD2 PHE 18 2HD PHE 18 -2.314 0.078 1.141 126 HE1 PHE 18 1HE PHE 18 2.312 -0.448 2.726 127 HE2 PHE 18 2HE PHE 18 -1.259 -2.144 1.129 128 HZ PHE 18 HZ PHE 18 1.056 -2.410 1.922 129 H ASN 19 H ASN 19 -0.574 4.848 4.233 130 HA ASN 19 HA ASN 19 -2.801 6.690 3.979 131 1HB ASN 19 2HB ASN 19 -0.129 6.749 5.307 132 2HB ASN 19 1HB ASN 19 -0.890 8.284 4.900 133 1HD2 ASN 19 1HD2 ASN 19 -0.448 6.257 7.340 134 2HD2 ASN 19 2HD2 ASN 19 -1.906 6.499 8.235 135 H TYR 20 H TYR 20 -0.887 5.550 1.724 136 HA TYR 20 HA TYR 20 -1.020 7.951 0.130 137 1HB TYR 20 2HB TYR 20 1.572 6.801 1.079 138 2HB TYR 20 1HB TYR 20 1.488 7.479 -0.543 139 HD1 TYR 20 1HD TYR 20 0.794 9.891 -0.812 140 HD2 TYR 20 2HD TYR 20 1.745 8.197 2.972 141 HE1 TYR 20 1HE TYR 20 1.115 12.148 0.110 142 HE2 TYR 20 2HE TYR 20 2.067 10.449 3.905 143 HH TYR 20 HH TYR 20 2.272 13.236 1.952 144 H VAL 21 H VAL 21 -1.567 7.424 -1.892 145 HA VAL 21 HA VAL 21 -2.135 4.836 -2.701 146 HB VAL 21 HB VAL 21 -1.391 7.048 -4.612 147 1HG1 VAL 21 1HG1 VAL 21 -3.409 4.825 -4.881 148 2HG1 VAL 21 2HG1 VAL 21 -1.768 4.764 -5.524 149 3HG1 VAL 21 3HG1 VAL 21 -2.907 5.969 -6.125 150 1HG2 VAL 21 1HG2 VAL 21 -3.872 6.658 -2.973 151 2HG2 VAL 21 2HG2 VAL 21 -3.915 7.512 -4.515 152 3HG2 VAL 21 3HG2 VAL 21 -2.911 8.119 -3.198 153 H LYS 22 H LYS 22 0.856 6.608 -2.848 154 HA LYS 22 HA LYS 22 2.206 4.987 -4.732 155 1HB LYS 22 2HB LYS 22 3.204 6.770 -2.509 156 2HB LYS 22 1HB LYS 22 4.282 5.931 -3.616 157 1HG LYS 22 2HG LYS 22 4.146 7.850 -4.773 158 2HG LYS 22 1HG LYS 22 2.649 7.140 -5.380 159 1HD LYS 22 2HD LYS 22 1.355 8.347 -3.750 160 2HD LYS 22 1HD LYS 22 2.820 8.950 -2.974 161 1HE LYS 22 2HE LYS 22 3.238 9.804 -5.490 162 2HE LYS 22 1HE LYS 22 1.475 9.834 -5.449 163 1HZ LYS 22 1HZ LYS 22 3.393 11.493 -4.031 164 2HZ LYS 22 2HZ LYS 22 2.039 11.016 -3.138 165 3HZ LYS 22 3HZ LYS 22 1.838 11.866 -4.587 166 H THR 23 H THR 23 1.825 4.821 -1.233 167 HA THR 23 HA THR 23 3.657 2.692 -0.839 168 HB THR 23 HB THR 23 1.355 2.942 1.011 169 HG1 THR 23 1HG THR 23 3.239 5.031 0.664 170 1HG2 THR 23 1HG2 THR 23 3.271 1.606 1.653 171 2HG2 THR 23 2HG2 THR 23 3.103 3.009 2.709 172 3HG2 THR 23 3HG2 THR 23 4.330 2.999 1.442 173 H TYR 24 H TYR 24 0.186 2.847 -1.432 174 HA TYR 24 HA TYR 24 -0.351 0.103 -1.082 175 1HB TYR 24 2HB TYR 24 -2.056 1.956 -1.217 176 2HB TYR 24 1HB TYR 24 -1.791 1.989 -2.955 177 HD1 TYR 24 1HD TYR 24 -3.839 1.266 -3.826 178 HD2 TYR 24 2HD TYR 24 -1.993 -0.974 -0.714 179 HE1 TYR 24 1HE TYR 24 -5.515 -0.509 -4.117 180 HE2 TYR 24 2HE TYR 24 -3.663 -2.755 -0.999 181 HH TYR 24 HH TYR 24 -5.465 -3.197 -3.563 182 H LEU 25 H LEU 25 0.975 1.957 -3.707 183 HA LEU 25 HA LEU 25 0.698 -0.111 -5.683 184 1HB LEU 25 2HB LEU 25 2.228 2.475 -5.551 185 2HB LEU 25 1HB LEU 25 2.459 1.354 -6.878 186 HG LEU 25 HG LEU 25 -0.237 2.488 -6.152 187 1HD1 LEU 25 1HD1 LEU 25 1.441 3.474 -8.425 188 2HD1 LEU 25 2HD1 LEU 25 1.587 4.183 -6.818 189 3HD1 LEU 25 3HD1 LEU 25 0.040 4.227 -7.663 190 1HD2 LEU 25 1HD2 LEU 25 -0.851 1.771 -8.383 191 2HD2 LEU 25 2HD2 LEU 25 -0.211 0.407 -7.466 192 3HD2 LEU 25 3HD2 LEU 25 0.792 1.202 -8.679 193 H ALA 26 H ALA 26 3.263 1.113 -3.593 194 HA ALA 26 HA ALA 26 5.323 -0.551 -4.496 195 1HB ALA 26 1HB ALA 26 5.995 1.254 -3.177 196 2HB ALA 26 2HB ALA 26 6.248 -0.146 -2.135 197 3HB ALA 26 3HB ALA 26 4.830 0.878 -1.906 198 H HIS 27 H HIS 27 2.676 -1.096 -2.263 199 HA HIS 27 HA HIS 27 3.719 -3.497 -1.135 200 1HB HIS 27 2HB HIS 27 2.046 -2.358 0.123 201 2HB HIS 27 1HB HIS 27 0.938 -2.326 -1.245 202 HD1 HIS 27 1HD HIS 27 2.470 -4.838 1.170 203 HD2 HIS 27 2HD HIS 27 -0.777 -4.413 -1.385 204 HE1 HIS 27 1HE HIS 27 1.015 -6.876 1.522 205 H LYS 28 H LYS 28 1.361 -2.834 -3.712 206 HA LYS 28 HA LYS 28 0.861 -5.555 -4.317 207 1HB LYS 28 2HB LYS 28 -0.395 -3.309 -4.984 208 2HB LYS 28 1HB LYS 28 0.591 -3.472 -6.431 209 1HG LYS 28 2HG LYS 28 -0.321 -5.770 -6.713 210 2HG LYS 28 1HG LYS 28 -1.410 -5.448 -5.362 211 1HD LYS 28 2HD LYS 28 -2.666 -4.994 -7.303 212 2HD LYS 28 1HD LYS 28 -2.192 -3.416 -6.671 213 1HE LYS 28 2HE LYS 28 -1.771 -3.244 -8.957 214 2HE LYS 28 1HE LYS 28 -0.189 -3.604 -8.267 215 1HZ LYS 28 1HZ LYS 28 -1.909 -5.792 -9.228 216 2HZ LYS 28 2HZ LYS 28 -0.224 -5.742 -9.085 217 3HZ LYS 28 3HZ LYS 28 -0.991 -4.895 -10.331 218 H GLN 29 H GLN 29 3.344 -3.315 -5.267 219 HA GLN 29 HA GLN 29 4.251 -4.949 -7.475 220 1HB GLN 29 2HB GLN 29 4.417 -2.303 -7.010 221 2HB GLN 29 1HB GLN 29 5.992 -2.806 -6.409 222 1HG GLN 29 2HG GLN 29 6.624 -2.528 -8.534 223 2HG GLN 29 1HG GLN 29 5.918 -4.128 -8.760 224 1HE2 GLN 29 1HE2 GLN 29 3.262 -3.628 -8.730 225 2HE2 GLN 29 2HE2 GLN 29 2.824 -2.612 -10.056 226 H PHE 30 H PHE 30 4.785 -4.863 -4.099 227 HA PHE 30 HA PHE 30 7.272 -6.411 -4.430 228 1HB PHE 30 2HB PHE 30 6.416 -4.409 -2.409 229 2HB PHE 30 1HB PHE 30 7.383 -5.762 -1.836 230 HD1 PHE 30 1HD PHE 30 7.438 -2.566 -3.374 231 HD2 PHE 30 2HD PHE 30 9.590 -6.222 -3.060 232 HE1 PHE 30 1HE PHE 30 9.479 -1.425 -4.138 233 HE2 PHE 30 2HE PHE 30 11.636 -5.088 -3.823 234 HZ PHE 30 HZ PHE 30 11.582 -2.686 -4.364 235 H TYR 31 H TYR 31 4.364 -6.151 -2.387 236 HA TYR 31 HA TYR 31 4.761 -8.724 -1.205 237 1HB TYR 31 2HB TYR 31 3.404 -6.615 -0.364 238 2HB TYR 31 1HB TYR 31 2.082 -7.403 -1.220 239 HD1 TYR 31 1HD TYR 31 4.529 -7.803 1.523 240 HD2 TYR 31 2HD TYR 31 1.000 -9.313 -0.313 241 HE1 TYR 31 1HE TYR 31 4.144 -9.256 3.470 242 HE2 TYR 31 2HE TYR 31 0.606 -10.769 1.629 243 HH TYR 31 HH TYR 31 1.943 -11.806 3.454 244 H HIS 32 H HIS 32 2.846 -7.470 -3.876 245 HA HIS 32 HA HIS 32 1.961 -10.218 -4.463 246 1HB HIS 32 2HB HIS 32 0.701 -7.602 -5.312 247 2HB HIS 32 1HB HIS 32 0.108 -9.205 -5.730 248 HD1 HIS 32 1HD HIS 32 -1.313 -10.420 -3.972 249 HD2 HIS 32 2HD HIS 32 0.356 -6.869 -2.602 250 HE1 HIS 32 1HE HIS 32 -2.424 -9.919 -1.753 251 H LYS 33 H LYS 33 4.468 -9.761 -5.223 252 HA LYS 33 HA LYS 33 4.249 -9.686 -8.131 253 1HB LYS 33 2HB LYS 33 5.026 -7.415 -6.974 254 2HB LYS 33 1HB LYS 33 6.577 -8.243 -6.964 255 1HG LYS 33 2HG LYS 33 5.018 -8.170 -9.495 256 2HG LYS 33 1HG LYS 33 5.861 -6.712 -8.968 257 1HD LYS 33 2HD LYS 33 7.834 -8.475 -8.621 258 2HD LYS 33 1HD LYS 33 6.946 -9.312 -9.896 259 1HE LYS 33 2HE LYS 33 7.474 -7.767 -11.458 260 2HE LYS 33 1HE LYS 33 7.383 -6.428 -10.316 261 1HZ LYS 33 1HZ LYS 33 9.556 -6.609 -9.792 262 2HZ LYS 33 2HZ LYS 33 9.661 -7.304 -11.330 263 3HZ LYS 33 3HZ LYS 33 9.590 -8.293 -9.960 264 H ASN 34 H ASN 34 4.458 -11.994 -6.918 265 HA ASN 34 HA ASN 34 5.672 -13.912 -6.749 266 1HB ASN 34 2HB ASN 34 7.250 -12.294 -8.707 267 2HB ASN 34 1HB ASN 34 7.942 -13.794 -8.095 268 1HD2 ASN 34 1HD2 ASN 34 5.929 -15.498 -7.941 269 2HD2 ASN 34 2HD2 ASN 34 5.182 -15.744 -9.479 270 H LYS 35 H LYS 35 5.948 -11.982 -4.676 271 HA LYS 35 HA LYS 35 8.320 -13.003 -3.422 272 1HB LYS 35 2HB LYS 35 8.801 -10.791 -4.878 273 2HB LYS 35 1HB LYS 35 8.274 -10.037 -3.381 274 1HG LYS 35 2HG LYS 35 10.709 -10.302 -3.501 275 2HG LYS 35 1HG LYS 35 10.001 -11.184 -2.146 276 1HD LYS 35 2HD LYS 35 10.505 -13.216 -3.032 277 2HD LYS 35 1HD LYS 35 10.305 -12.661 -4.695 278 1HE LYS 35 2HE LYS 35 12.462 -11.249 -4.091 279 2HE LYS 35 1HE LYS 35 12.687 -12.548 -2.920 280 1HZ LYS 35 1HZ LYS 35 13.719 -12.814 -5.222 281 2HZ LYS 35 2HZ LYS 35 12.149 -13.134 -5.765 282 3HZ LYS 35 3HZ LYS 35 12.858 -14.129 -4.595 283 HA PRO 36 HA PRO 36 5.535 -12.473 -0.003 284 1HB PRO 36 2HB PRO 36 7.259 -12.966 2.028 285 2HB PRO 36 1HB PRO 36 6.630 -14.240 0.979 286 1HG PRO 36 2HG PRO 36 9.267 -12.829 0.870 287 2HG PRO 36 1HG PRO 36 8.915 -14.556 0.681 288 1HD PRO 36 2HD PRO 36 9.353 -12.917 -1.431 289 2HD PRO 36 1HD PRO 36 8.257 -14.311 -1.514 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 -6.851 3.112 12.464 2 2H GLY 1 2HT GLY 1 -8.077 1.950 12.383 3 3H GLY 1 3HT GLY 1 -7.402 2.363 13.878 4 1HA GLY 1 1HA GLY 1 -9.690 3.343 13.169 5 2HA GLY 1 2HA GLY 1 -8.522 4.324 14.041 6 H SER 2 H SER 2 -6.774 5.213 12.312 7 HA SER 2 HA SER 2 -8.122 7.194 10.863 8 1HB SER 2 2HB SER 2 -5.563 6.876 11.669 9 2HB SER 2 1HB SER 2 -5.389 6.482 9.959 10 HG SER 2 HG SER 2 -5.270 8.815 10.773 11 H ALA 3 H ALA 3 -9.137 7.126 8.977 12 HA ALA 3 HA ALA 3 -9.855 6.460 6.923 13 1HB ALA 3 1HB ALA 3 -7.186 6.712 6.691 14 2HB ALA 3 2HB ALA 3 -8.244 6.257 5.355 15 3HB ALA 3 3HB ALA 3 -7.374 5.014 6.253 16 H ALA 4 H ALA 4 -11.426 5.001 7.490 17 HA ALA 4 HA ALA 4 -10.639 2.166 7.355 18 1HB ALA 4 1HB ALA 4 -11.145 2.243 9.582 19 2HB ALA 4 2HB ALA 4 -12.746 1.907 8.923 20 3HB ALA 4 3HB ALA 4 -12.311 3.552 9.386 21 H GLU 5 H GLU 5 -11.540 3.836 5.218 22 HA GLU 5 HA GLU 5 -13.256 2.257 3.835 23 1HB GLU 5 2HB GLU 5 -14.709 3.849 5.818 24 2HB GLU 5 1HB GLU 5 -15.316 4.068 4.183 25 1HG GLU 5 2HG GLU 5 -14.934 1.305 4.532 26 2HG GLU 5 1HG GLU 5 -15.726 1.897 5.990 27 H VAL 6 H VAL 6 -11.328 3.413 2.767 28 HA VAL 6 HA VAL 6 -12.280 5.886 1.474 29 HB VAL 6 HB VAL 6 -9.404 4.999 1.696 30 1HG1 VAL 6 1HG1 VAL 6 -8.843 7.160 0.908 31 2HG1 VAL 6 2HG1 VAL 6 -10.500 7.735 1.090 32 3HG1 VAL 6 3HG1 VAL 6 -10.108 6.557 -0.163 33 1HG2 VAL 6 1HG2 VAL 6 -10.924 6.963 3.411 34 2HG2 VAL 6 2HG2 VAL 6 -9.176 6.728 3.439 35 3HG2 VAL 6 3HG2 VAL 6 -10.250 5.417 3.929 36 H MET 7 H MET 7 -10.713 2.767 0.983 37 HA MET 7 HA MET 7 -10.478 1.443 -0.850 38 1HB MET 7 2HB MET 7 -12.986 2.108 -0.972 39 2HB MET 7 1HB MET 7 -12.485 3.137 -2.306 40 1HG MET 7 2HG MET 7 -13.063 1.269 -3.456 41 2HG MET 7 1HG MET 7 -11.362 0.915 -3.156 42 1HE MET 7 1HE MET 7 -12.301 -1.858 -3.724 43 2HE MET 7 2HE MET 7 -11.773 -2.590 -2.209 44 3HE MET 7 3HE MET 7 -10.834 -1.283 -2.931 45 H LYS 8 H LYS 8 -8.348 2.249 -1.178 46 HA LYS 8 HA LYS 8 -7.810 3.116 -3.778 47 1HB LYS 8 2HB LYS 8 -6.832 5.375 -3.234 48 2HB LYS 8 1HB LYS 8 -8.588 5.291 -3.203 49 1HG LYS 8 2HG LYS 8 -8.659 5.372 -0.860 50 2HG LYS 8 1HG LYS 8 -6.940 5.001 -0.713 51 1HD LYS 8 2HD LYS 8 -7.235 7.333 -0.262 52 2HD LYS 8 1HD LYS 8 -6.451 7.178 -1.836 53 1HE LYS 8 2HE LYS 8 -9.391 7.244 -1.897 54 2HE LYS 8 1HE LYS 8 -8.619 8.730 -1.347 55 1HZ LYS 8 1HZ LYS 8 -8.467 7.420 -3.968 56 2HZ LYS 8 2HZ LYS 8 -7.149 8.341 -3.443 57 3HZ LYS 8 3HZ LYS 8 -8.674 9.057 -3.594 58 H LYS 9 H LYS 9 -6.705 3.050 -0.431 59 HA LYS 9 HA LYS 9 -4.148 1.960 -1.374 60 1HB LYS 9 2HB LYS 9 -3.794 3.477 1.066 61 2HB LYS 9 1HB LYS 9 -2.906 3.578 -0.446 62 1HG LYS 9 2HG LYS 9 -4.907 4.958 -1.284 63 2HG LYS 9 1HG LYS 9 -5.326 5.109 0.423 64 1HD LYS 9 2HD LYS 9 -2.629 5.693 0.373 65 2HD LYS 9 1HD LYS 9 -3.235 6.430 -1.111 66 1HE LYS 9 2HE LYS 9 -3.270 7.917 0.908 67 2HE LYS 9 1HE LYS 9 -4.818 7.737 0.085 68 1HZ LYS 9 1HZ LYS 9 -4.496 7.453 2.712 69 2HZ LYS 9 2HZ LYS 9 -4.307 5.845 2.223 70 3HZ LYS 9 3HZ LYS 9 -5.723 6.684 1.835 71 H TYR 10 H TYR 10 -6.347 0.501 -0.516 72 HA TYR 10 HA TYR 10 -5.304 -0.651 1.985 73 1HB TYR 10 2HB TYR 10 -7.457 0.672 2.294 74 2HB TYR 10 1HB TYR 10 -8.244 -0.547 1.298 75 HD1 TYR 10 1HD TYR 10 -7.609 0.415 4.573 76 HD2 TYR 10 2HD TYR 10 -7.721 -3.059 2.120 77 HE1 TYR 10 1HE TYR 10 -7.953 -0.978 6.570 78 HE2 TYR 10 2HE TYR 10 -8.067 -4.460 4.109 79 HH TYR 10 HH TYR 10 -8.910 -3.197 7.125 80 H CYS 11 H CYS 11 -4.936 -2.795 1.892 81 HA CYS 11 HA CYS 11 -5.521 -4.151 -0.602 82 1HB CYS 11 2HB CYS 11 -3.310 -4.343 0.636 83 2HB CYS 11 1HB CYS 11 -4.151 -5.359 1.798 84 H SER 12 H SER 12 -7.165 -5.441 -0.961 85 HA SER 12 HA SER 12 -9.000 -6.092 1.186 86 1HB SER 12 2HB SER 12 -9.104 -6.117 -1.793 87 2HB SER 12 1HB SER 12 -10.194 -7.198 -0.923 88 HG SER 12 HG SER 12 -9.964 -4.421 -0.398 89 H THR 13 H THR 13 -6.291 -7.442 0.779 90 HA THR 13 HA THR 13 -7.303 -10.176 0.999 91 HB THR 13 HB THR 13 -4.810 -9.363 -0.502 92 HG1 THR 13 1HG THR 13 -7.353 -10.243 -1.366 93 1HG2 THR 13 1HG2 THR 13 -4.127 -11.451 -0.304 94 2HG2 THR 13 2HG2 THR 13 -5.578 -11.976 -1.157 95 3HG2 THR 13 3HG2 THR 13 -5.574 -11.882 0.604 96 H CYS 14 H CYS 14 -4.816 -7.818 1.776 97 HA CYS 14 HA CYS 14 -3.757 -9.623 3.839 98 1HB CYS 14 2HB CYS 14 -2.636 -6.996 2.848 99 2HB CYS 14 1HB CYS 14 -1.858 -8.095 3.979 100 H ASP 15 H ASP 15 -6.116 -7.371 3.610 101 HA ASP 15 HA ASP 15 -7.200 -5.992 5.052 102 1HB ASP 15 2HB ASP 15 -5.886 -7.838 7.054 103 2HB ASP 15 1HB ASP 15 -7.196 -6.722 7.422 104 H ILE 16 H ILE 16 -4.794 -4.973 4.120 105 HA ILE 16 HA ILE 16 -3.747 -3.531 6.468 106 HB ILE 16 HB ILE 16 -2.285 -3.755 3.850 107 1HG1 ILE 16 2HG1 ILE 16 -2.722 -6.042 4.669 108 2HG1 ILE 16 1HG1 ILE 16 -1.014 -5.629 4.768 109 1HG2 ILE 16 1HG2 ILE 16 -0.333 -3.432 5.463 110 2HG2 ILE 16 2HG2 ILE 16 -1.553 -2.997 6.661 111 3HG2 ILE 16 3HG2 ILE 16 -1.391 -2.049 5.182 112 1HD1 ILE 16 1HD1 ILE 16 -1.156 -5.314 7.125 113 2HD1 ILE 16 2HD1 ILE 16 -1.899 -6.864 6.732 114 3HD1 ILE 16 3HD1 ILE 16 -2.913 -5.466 7.091 115 H SER 17 H SER 17 -3.042 -1.295 6.028 116 HA SER 17 HA SER 17 -4.596 -0.031 3.874 117 1HB SER 17 2HB SER 17 -4.678 1.912 5.738 118 2HB SER 17 1HB SER 17 -5.932 0.683 5.587 119 HG SER 17 HG SER 17 -4.589 1.174 7.713 120 H PHE 18 H PHE 18 -3.825 2.178 3.346 121 HA PHE 18 HA PHE 18 -1.024 2.657 4.019 122 1HB PHE 18 2HB PHE 18 -2.159 2.389 1.235 123 2HB PHE 18 1HB PHE 18 -0.606 3.140 1.572 124 HD1 PHE 18 1HD PHE 18 1.018 1.657 3.045 125 HD2 PHE 18 2HD PHE 18 -2.212 0.164 0.712 126 HE1 PHE 18 1HE PHE 18 2.082 -0.562 2.998 127 HE2 PHE 18 2HE PHE 18 -1.157 -2.058 0.664 128 HZ PHE 18 HZ PHE 18 0.992 -2.423 1.807 129 H ASN 19 H ASN 19 -0.537 4.762 4.267 130 HA ASN 19 HA ASN 19 -2.704 6.682 4.023 131 1HB ASN 19 2HB ASN 19 -0.090 6.589 5.450 132 2HB ASN 19 1HB ASN 19 -0.739 8.173 5.036 133 1HD2 ASN 19 1HD2 ASN 19 -0.432 7.672 7.614 134 2HD2 ASN 19 2HD2 ASN 19 -1.948 7.378 8.390 135 H TYR 20 H TYR 20 -0.786 5.536 1.787 136 HA TYR 20 HA TYR 20 -0.766 7.988 0.269 137 1HB TYR 20 2HB TYR 20 1.761 6.636 1.166 138 2HB TYR 20 1HB TYR 20 1.713 7.502 -0.365 139 HD1 TYR 20 1HD TYR 20 1.133 9.956 -0.354 140 HD2 TYR 20 2HD TYR 20 1.970 7.792 3.212 141 HE1 TYR 20 1HE TYR 20 1.543 12.074 0.827 142 HE2 TYR 20 2HE TYR 20 2.382 9.903 4.404 143 HH TYR 20 HH TYR 20 1.457 12.877 3.252 144 H VAL 21 H VAL 21 -1.298 7.550 -1.776 145 HA VAL 21 HA VAL 21 -1.984 5.032 -2.683 146 HB VAL 21 HB VAL 21 -1.074 7.288 -4.471 147 1HG1 VAL 21 1HG1 VAL 21 -3.027 5.030 -4.909 148 2HG1 VAL 21 2HG1 VAL 21 -1.419 5.171 -5.619 149 3HG1 VAL 21 3HG1 VAL 21 -2.678 6.324 -6.055 150 1HG2 VAL 21 1HG2 VAL 21 -3.664 6.868 -3.008 151 2HG2 VAL 21 2HG2 VAL 21 -3.564 7.844 -4.473 152 3HG2 VAL 21 3HG2 VAL 21 -2.637 8.302 -3.043 153 H LYS 22 H LYS 22 1.111 6.634 -2.738 154 HA LYS 22 HA LYS 22 2.388 4.978 -4.638 155 1HB LYS 22 2HB LYS 22 4.467 5.877 -3.783 156 2HB LYS 22 1HB LYS 22 3.277 7.167 -3.901 157 1HG LYS 22 2HG LYS 22 2.933 6.277 -1.333 158 2HG LYS 22 1HG LYS 22 4.673 6.108 -1.573 159 1HD LYS 22 2HD LYS 22 3.472 8.627 -2.535 160 2HD LYS 22 1HD LYS 22 3.484 8.396 -0.785 161 1HE LYS 22 2HE LYS 22 5.491 9.578 -1.743 162 2HE LYS 22 1HE LYS 22 5.840 8.171 -0.740 163 1HZ LYS 22 1HZ LYS 22 6.365 6.888 -2.604 164 2HZ LYS 22 2HZ LYS 22 7.099 8.381 -2.911 165 3HZ LYS 22 3HZ LYS 22 5.650 7.977 -3.685 166 H THR 23 H THR 23 1.783 4.660 -1.206 167 HA THR 23 HA THR 23 3.569 2.474 -0.808 168 HB THR 23 HB THR 23 1.216 2.727 0.970 169 HG1 THR 23 1HG THR 23 1.768 4.680 1.754 170 1HG2 THR 23 1HG2 THR 23 3.114 1.327 1.594 171 2HG2 THR 23 2HG2 THR 23 2.881 2.658 2.728 172 3HG2 THR 23 3HG2 THR 23 4.172 2.736 1.529 173 H TYR 24 H TYR 24 0.130 2.770 -1.523 174 HA TYR 24 HA TYR 24 -0.507 0.033 -1.295 175 1HB TYR 24 2HB TYR 24 -2.196 1.841 -1.385 176 2HB TYR 24 1HB TYR 24 -1.788 2.121 -3.072 177 HD1 TYR 24 1HD TYR 24 -3.576 1.458 -4.380 178 HD2 TYR 24 2HD TYR 24 -2.377 -1.021 -1.136 179 HE1 TYR 24 1HE TYR 24 -5.232 -0.229 -5.064 180 HE2 TYR 24 2HE TYR 24 -4.027 -2.714 -1.812 181 HH TYR 24 HH TYR 24 -6.413 -2.479 -3.273 182 H LEU 25 H LEU 25 0.947 1.954 -3.796 183 HA LEU 25 HA LEU 25 0.691 -0.022 -5.865 184 1HB LEU 25 2HB LEU 25 2.137 2.576 -5.558 185 2HB LEU 25 1HB LEU 25 2.613 1.490 -6.850 186 HG LEU 25 HG LEU 25 -0.276 2.165 -6.591 187 1HD1 LEU 25 1HD1 LEU 25 0.996 4.309 -6.339 188 2HD1 LEU 25 2HD1 LEU 25 -0.056 4.229 -7.753 189 3HD1 LEU 25 3HD1 LEU 25 1.684 4.011 -7.935 190 1HD2 LEU 25 1HD2 LEU 25 1.178 2.183 -9.158 191 2HD2 LEU 25 2HD2 LEU 25 -0.388 1.485 -8.742 192 3HD2 LEU 25 3HD2 LEU 25 1.099 0.635 -8.317 193 H ALA 26 H ALA 26 3.196 1.019 -3.618 194 HA ALA 26 HA ALA 26 5.237 -0.666 -4.567 195 1HB ALA 26 1HB ALA 26 5.717 1.262 -3.173 196 2HB ALA 26 2HB ALA 26 6.341 -0.207 -2.423 197 3HB ALA 26 3HB ALA 26 4.852 0.524 -1.825 198 H HIS 27 H HIS 27 2.561 -1.176 -2.366 199 HA HIS 27 HA HIS 27 3.567 -3.592 -1.231 200 1HB HIS 27 2HB HIS 27 1.906 -2.383 0.002 201 2HB HIS 27 1HB HIS 27 0.785 -2.418 -1.356 202 HD1 HIS 27 1HD HIS 27 2.351 -4.789 1.174 203 HD2 HIS 27 2HD HIS 27 -0.880 -4.549 -1.424 204 HE1 HIS 27 1HE HIS 27 0.927 -6.834 1.616 205 H LYS 28 H LYS 28 1.461 -2.837 -3.963 206 HA LYS 28 HA LYS 28 0.824 -5.572 -4.519 207 1HB LYS 28 2HB LYS 28 -0.417 -3.354 -5.199 208 2HB LYS 28 1HB LYS 28 0.647 -3.426 -6.597 209 1HG LYS 28 2HG LYS 28 -0.786 -5.915 -5.937 210 2HG LYS 28 1HG LYS 28 -1.776 -4.569 -6.506 211 1HD LYS 28 2HD LYS 28 0.713 -5.177 -8.005 212 2HD LYS 28 1HD LYS 28 -0.635 -6.303 -8.172 213 1HE LYS 28 2HE LYS 28 -0.624 -3.349 -8.766 214 2HE LYS 28 1HE LYS 28 -0.803 -4.673 -9.917 215 1HZ LYS 28 1HZ LYS 28 -2.756 -3.552 -8.053 216 2HZ LYS 28 2HZ LYS 28 -2.843 -5.212 -8.368 217 3HZ LYS 28 3HZ LYS 28 -2.968 -4.103 -9.639 218 H GLN 29 H GLN 29 3.246 -3.284 -5.623 219 HA GLN 29 HA GLN 29 4.238 -5.085 -7.662 220 1HB GLN 29 2HB GLN 29 4.269 -2.374 -7.410 221 2HB GLN 29 1HB GLN 29 5.899 -2.777 -6.891 222 1HG GLN 29 2HG GLN 29 5.845 -4.251 -9.084 223 2HG GLN 29 1HG GLN 29 4.623 -3.069 -9.551 224 1HE2 GLN 29 1HE2 GLN 29 5.282 -0.757 -9.211 225 2HE2 GLN 29 2HE2 GLN 29 6.904 -0.335 -9.628 226 H PHE 30 H PHE 30 4.703 -4.715 -4.329 227 HA PHE 30 HA PHE 30 7.326 -6.047 -4.491 228 1HB PHE 30 2HB PHE 30 7.139 -3.758 -3.336 229 2HB PHE 30 1HB PHE 30 6.295 -4.616 -2.051 230 HD1 PHE 30 1HD PHE 30 9.424 -4.913 -4.064 231 HD2 PHE 30 2HD PHE 30 7.539 -5.351 -0.273 232 HE1 PHE 30 1HE PHE 30 11.586 -5.531 -3.065 233 HE2 PHE 30 2HE PHE 30 9.697 -5.968 0.733 234 HZ PHE 30 HZ PHE 30 11.725 -6.060 -0.662 235 H TYR 31 H TYR 31 4.361 -5.906 -2.511 236 HA TYR 31 HA TYR 31 4.938 -8.378 -1.192 237 1HB TYR 31 2HB TYR 31 3.474 -6.393 -0.377 238 2HB TYR 31 1HB TYR 31 2.200 -7.150 -1.325 239 HD1 TYR 31 1HD TYR 31 4.040 -7.203 1.763 240 HD2 TYR 31 2HD TYR 31 1.522 -9.519 -0.766 241 HE1 TYR 31 1HE TYR 31 3.549 -8.710 3.643 242 HE2 TYR 31 2HE TYR 31 1.024 -11.032 1.108 243 HH TYR 31 HH TYR 31 1.041 -11.007 3.551 244 H HIS 32 H HIS 32 2.608 -7.406 -3.700 245 HA HIS 32 HA HIS 32 2.009 -10.228 -4.199 246 1HB HIS 32 2HB HIS 32 0.681 -7.716 -5.236 247 2HB HIS 32 1HB HIS 32 0.163 -9.357 -5.604 248 HD1 HIS 32 1HD HIS 32 -1.359 -10.487 -3.904 249 HD2 HIS 32 2HD HIS 32 0.328 -6.959 -2.502 250 HE1 HIS 32 1HE HIS 32 -2.509 -9.970 -1.708 251 H LYS 33 H LYS 33 4.555 -9.497 -4.940 252 HA LYS 33 HA LYS 33 4.407 -9.884 -7.826 253 1HB LYS 33 2HB LYS 33 4.682 -7.441 -7.458 254 2HB LYS 33 1HB LYS 33 6.171 -7.768 -6.582 255 1HG LYS 33 2HG LYS 33 7.341 -8.264 -8.472 256 2HG LYS 33 1HG LYS 33 5.916 -8.844 -9.336 257 1HD LYS 33 2HD LYS 33 5.132 -6.420 -9.339 258 2HD LYS 33 1HD LYS 33 6.773 -6.005 -8.839 259 1HE LYS 33 2HE LYS 33 7.431 -7.506 -10.892 260 2HE LYS 33 1HE LYS 33 5.795 -7.122 -11.425 261 1HZ LYS 33 1HZ LYS 33 6.296 -4.923 -11.684 262 2HZ LYS 33 2HZ LYS 33 7.796 -5.603 -12.067 263 3HZ LYS 33 3HZ LYS 33 7.537 -4.936 -10.534 264 H ASN 34 H ASN 34 4.955 -11.804 -5.945 265 HA ASN 34 HA ASN 34 7.573 -12.650 -6.767 266 1HB ASN 34 2HB ASN 34 8.008 -11.167 -4.767 267 2HB ASN 34 1HB ASN 34 7.106 -12.330 -3.798 268 1HD2 ASN 34 1HD2 ASN 34 8.716 -13.077 -2.539 269 2HD2 ASN 34 2HD2 ASN 34 10.105 -13.916 -3.130 270 H LYS 35 H LYS 35 4.988 -13.659 -7.182 271 HA LYS 35 HA LYS 35 3.833 -15.617 -7.166 272 1HB LYS 35 2HB LYS 35 6.546 -16.476 -6.236 273 2HB LYS 35 1HB LYS 35 5.219 -17.630 -6.196 274 1HG LYS 35 2HG LYS 35 5.348 -16.245 -8.731 275 2HG LYS 35 1HG LYS 35 6.866 -17.058 -8.348 276 1HD LYS 35 2HD LYS 35 4.444 -18.636 -7.817 277 2HD LYS 35 1HD LYS 35 4.725 -18.255 -9.517 278 1HE LYS 35 2HE LYS 35 5.817 -20.308 -9.138 279 2HE LYS 35 1HE LYS 35 7.091 -19.091 -9.167 280 1HZ LYS 35 1HZ LYS 35 7.275 -19.158 -6.831 281 2HZ LYS 35 2HZ LYS 35 7.232 -20.773 -7.334 282 3HZ LYS 35 3HZ LYS 35 5.855 -20.061 -6.655 283 HA PRO 36 HA PRO 36 1.888 -15.900 -3.220 284 1HB PRO 36 2HB PRO 36 0.660 -18.313 -3.387 285 2HB PRO 36 1HB PRO 36 0.111 -16.895 -4.287 286 1HG PRO 36 2HG PRO 36 1.790 -19.194 -5.214 287 2HG PRO 36 1HG PRO 36 0.443 -18.387 -6.040 288 1HD PRO 36 2HD PRO 36 3.035 -17.867 -6.629 289 2HD PRO 36 1HD PRO 36 1.762 -16.636 -6.752 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 -13.176 3.886 -7.070 2 2H GLY 1 2HT GLY 1 -13.380 4.300 -5.443 3 3H GLY 1 3HT GLY 1 -14.062 5.265 -6.652 4 1HA GLY 1 1HA GLY 1 -15.296 3.098 -7.315 5 2HA GLY 1 2HA GLY 1 -14.925 2.637 -5.661 6 H SER 2 H SER 2 -15.344 4.681 -4.117 7 HA SER 2 HA SER 2 -16.944 5.895 -3.051 8 1HB SER 2 2HB SER 2 -17.987 7.603 -4.268 9 2HB SER 2 1HB SER 2 -16.560 7.244 -5.238 10 HG SER 2 HG SER 2 -19.250 6.560 -5.715 11 H ALA 3 H ALA 3 -19.412 6.229 -2.883 12 HA ALA 3 HA ALA 3 -21.454 5.297 -2.514 13 1HB ALA 3 1HB ALA 3 -21.398 5.325 -5.044 14 2HB ALA 3 2HB ALA 3 -22.511 4.174 -4.304 15 3HB ALA 3 3HB ALA 3 -20.973 3.615 -4.961 16 H ALA 4 H ALA 4 -19.692 4.263 -0.860 17 HA ALA 4 HA ALA 4 -19.247 2.503 0.511 18 1HB ALA 4 1HB ALA 4 -21.847 1.812 -0.709 19 2HB ALA 4 2HB ALA 4 -21.390 1.958 0.988 20 3HB ALA 4 3HB ALA 4 -20.976 0.500 0.087 21 H GLU 5 H GLU 5 -17.309 2.377 -0.954 22 HA GLU 5 HA GLU 5 -16.428 -0.158 -1.352 23 1HB GLU 5 2HB GLU 5 -18.195 0.663 -3.539 24 2HB GLU 5 1HB GLU 5 -16.614 0.132 -4.095 25 1HG GLU 5 2HG GLU 5 -16.961 -2.014 -3.486 26 2HG GLU 5 1HG GLU 5 -17.955 -1.577 -2.096 27 H VAL 6 H VAL 6 -14.976 1.649 -0.439 28 HA VAL 6 HA VAL 6 -13.353 2.798 -2.614 29 HB VAL 6 HB VAL 6 -13.434 3.715 0.262 30 1HG1 VAL 6 1HG1 VAL 6 -11.345 4.246 -0.805 31 2HG1 VAL 6 2HG1 VAL 6 -12.304 5.721 -0.665 32 3HG1 VAL 6 3HG1 VAL 6 -12.184 4.891 -2.217 33 1HG2 VAL 6 1HG2 VAL 6 -15.478 4.026 -1.508 34 2HG2 VAL 6 2HG2 VAL 6 -14.526 5.479 -1.813 35 3HG2 VAL 6 3HG2 VAL 6 -15.116 5.137 -0.186 36 H MET 7 H MET 7 -11.258 2.249 -2.789 37 HA MET 7 HA MET 7 -9.738 1.207 -0.600 38 1HB MET 7 2HB MET 7 -9.250 -0.943 -2.083 39 2HB MET 7 1HB MET 7 -10.546 -0.910 -0.897 40 1HG MET 7 2HG MET 7 -11.259 -1.909 -3.003 41 2HG MET 7 1HG MET 7 -12.167 -0.444 -2.632 42 1HE MET 7 1HE MET 7 -10.438 -2.063 -5.904 43 2HE MET 7 2HE MET 7 -9.483 -2.163 -4.425 44 3HE MET 7 3HE MET 7 -8.954 -1.121 -5.747 45 H LYS 8 H LYS 8 -8.949 3.323 -1.697 46 HA LYS 8 HA LYS 8 -7.426 2.970 -4.116 47 1HB LYS 8 2HB LYS 8 -6.871 5.272 -3.926 48 2HB LYS 8 1HB LYS 8 -8.542 5.127 -3.401 49 1HG LYS 8 2HG LYS 8 -7.618 5.022 -1.030 50 2HG LYS 8 1HG LYS 8 -6.094 5.572 -1.729 51 1HD LYS 8 2HD LYS 8 -7.342 7.466 -0.887 52 2HD LYS 8 1HD LYS 8 -7.256 7.542 -2.648 53 1HE LYS 8 2HE LYS 8 -9.587 6.098 -1.619 54 2HE LYS 8 1HE LYS 8 -9.537 7.802 -1.169 55 1HZ LYS 8 1HZ LYS 8 -9.862 6.583 -3.794 56 2HZ LYS 8 2HZ LYS 8 -8.941 7.999 -3.731 57 3HZ LYS 8 3HZ LYS 8 -10.536 8.003 -3.168 58 H LYS 9 H LYS 9 -6.826 2.900 -0.679 59 HA LYS 9 HA LYS 9 -4.083 2.022 -1.215 60 1HB LYS 9 2HB LYS 9 -3.406 3.378 0.853 61 2HB LYS 9 1HB LYS 9 -3.654 4.254 -0.649 62 1HG LYS 9 2HG LYS 9 -4.638 5.482 1.164 63 2HG LYS 9 1HG LYS 9 -5.917 4.865 0.119 64 1HD LYS 9 2HD LYS 9 -6.453 3.131 1.662 65 2HD LYS 9 1HD LYS 9 -5.015 3.466 2.629 66 1HE LYS 9 2HE LYS 9 -7.161 5.524 2.203 67 2HE LYS 9 1HE LYS 9 -7.263 4.329 3.496 68 1HZ LYS 9 1HZ LYS 9 -6.106 6.692 3.793 69 2HZ LYS 9 2HZ LYS 9 -4.761 5.799 3.292 70 3HZ LYS 9 3HZ LYS 9 -5.627 5.322 4.663 71 H TYR 10 H TYR 10 -6.212 0.366 -0.653 72 HA TYR 10 HA TYR 10 -5.392 -0.700 1.947 73 1HB TYR 10 2HB TYR 10 -7.552 0.652 2.146 74 2HB TYR 10 1HB TYR 10 -8.304 -0.596 1.160 75 HD1 TYR 10 1HD TYR 10 -7.781 0.458 4.426 76 HD2 TYR 10 2HD TYR 10 -7.792 -3.083 2.066 77 HE1 TYR 10 1HE TYR 10 -8.182 -0.883 6.449 78 HE2 TYR 10 2HE TYR 10 -8.193 -4.432 4.081 79 HH TYR 10 HH TYR 10 -7.685 -3.410 7.110 80 H CYS 11 H CYS 11 -4.986 -2.825 1.842 81 HA CYS 11 HA CYS 11 -5.541 -4.206 -0.643 82 1HB CYS 11 2HB CYS 11 -3.338 -4.368 0.610 83 2HB CYS 11 1HB CYS 11 -4.180 -5.369 1.786 84 H SER 12 H SER 12 -7.167 -5.524 -1.001 85 HA SER 12 HA SER 12 -9.022 -6.153 1.135 86 1HB SER 12 2HB SER 12 -10.191 -7.303 -0.956 87 2HB SER 12 1HB SER 12 -10.253 -5.558 -0.713 88 HG SER 12 HG SER 12 -9.144 -5.313 -2.473 89 H THR 13 H THR 13 -6.295 -7.488 0.783 90 HA THR 13 HA THR 13 -7.287 -10.225 1.051 91 HB THR 13 HB THR 13 -4.784 -9.426 -0.440 92 HG1 THR 13 1HG THR 13 -6.795 -9.063 -1.558 93 1HG2 THR 13 1HG2 THR 13 -4.196 -11.576 -0.655 94 2HG2 THR 13 2HG2 THR 13 -5.866 -12.138 -0.725 95 3HG2 THR 13 3HG2 THR 13 -5.121 -11.773 0.832 96 H CYS 14 H CYS 14 -4.829 -7.829 1.803 97 HA CYS 14 HA CYS 14 -3.758 -9.581 3.899 98 1HB CYS 14 2HB CYS 14 -2.690 -6.946 2.871 99 2HB CYS 14 1HB CYS 14 -1.900 -7.992 4.043 100 H ASP 15 H ASP 15 -6.087 -7.245 3.570 101 HA ASP 15 HA ASP 15 -7.230 -5.914 5.013 102 1HB ASP 15 2HB ASP 15 -6.555 -8.268 6.403 103 2HB ASP 15 1HB ASP 15 -6.265 -6.945 7.527 104 H ILE 16 H ILE 16 -4.744 -4.978 4.121 105 HA ILE 16 HA ILE 16 -3.776 -3.454 6.450 106 HB ILE 16 HB ILE 16 -2.242 -3.760 3.881 107 1HG1 ILE 16 2HG1 ILE 16 -2.707 -6.021 4.750 108 2HG1 ILE 16 1HG1 ILE 16 -1.003 -5.609 4.899 109 1HG2 ILE 16 1HG2 ILE 16 -1.613 -2.882 6.676 110 2HG2 ILE 16 2HG2 ILE 16 -1.341 -2.032 5.154 111 3HG2 ILE 16 3HG2 ILE 16 -0.341 -3.421 5.580 112 1HD1 ILE 16 1HD1 ILE 16 -2.976 -5.357 7.150 113 2HD1 ILE 16 2HD1 ILE 16 -1.219 -5.241 7.236 114 3HD1 ILE 16 3HD1 ILE 16 -1.984 -6.786 6.863 115 H SER 17 H SER 17 -3.046 -1.234 5.968 116 HA SER 17 HA SER 17 -4.465 -0.018 3.702 117 1HB SER 17 2HB SER 17 -4.723 1.925 5.594 118 2HB SER 17 1HB SER 17 -5.974 0.739 5.222 119 HG SER 17 HG SER 17 -4.020 0.569 7.274 120 H PHE 18 H PHE 18 -3.647 2.082 3.082 121 HA PHE 18 HA PHE 18 -0.954 2.686 4.065 122 1HB PHE 18 2HB PHE 18 -1.797 2.433 1.172 123 2HB PHE 18 1HB PHE 18 -0.260 3.096 1.704 124 HD1 PHE 18 1HD PHE 18 1.162 1.532 3.246 125 HD2 PHE 18 2HD PHE 18 -1.957 0.198 0.680 126 HE1 PHE 18 1HE PHE 18 2.114 -0.738 3.275 127 HE2 PHE 18 2HE PHE 18 -1.013 -2.073 0.703 128 HZ PHE 18 HZ PHE 18 1.023 -2.545 2.002 129 H ASN 19 H ASN 19 -0.603 4.796 4.411 130 HA ASN 19 HA ASN 19 -2.765 6.651 3.990 131 1HB ASN 19 2HB ASN 19 -0.173 6.674 5.443 132 2HB ASN 19 1HB ASN 19 -0.818 8.232 4.937 133 1HD2 ASN 19 1HD2 ASN 19 -2.162 5.225 6.268 134 2HD2 ASN 19 2HD2 ASN 19 -3.067 5.990 7.526 135 H TYR 20 H TYR 20 -0.417 5.545 1.972 136 HA TYR 20 HA TYR 20 -0.567 7.968 0.340 137 1HB TYR 20 2HB TYR 20 1.941 6.535 1.174 138 2HB TYR 20 1HB TYR 20 1.881 7.465 -0.320 139 HD1 TYR 20 1HD TYR 20 0.509 9.862 0.232 140 HD2 TYR 20 2HD TYR 20 3.061 7.667 2.835 141 HE1 TYR 20 1HE TYR 20 0.985 11.919 1.491 142 HE2 TYR 20 2HE TYR 20 3.544 9.718 4.101 143 HH TYR 20 HH TYR 20 2.941 12.750 2.990 144 H VAL 21 H VAL 21 -1.274 7.496 -1.625 145 HA VAL 21 HA VAL 21 -1.961 4.987 -2.527 146 HB VAL 21 HB VAL 21 -1.136 7.251 -4.347 147 1HG1 VAL 21 1HG1 VAL 21 -3.000 6.259 -5.747 148 2HG1 VAL 21 2HG1 VAL 21 -2.948 4.871 -4.661 149 3HG1 VAL 21 3HG1 VAL 21 -1.528 5.298 -5.615 150 1HG2 VAL 21 1HG2 VAL 21 -3.489 6.929 -2.566 151 2HG2 VAL 21 2HG2 VAL 21 -3.767 7.589 -4.178 152 3HG2 VAL 21 3HG2 VAL 21 -2.645 8.391 -3.078 153 H LYS 22 H LYS 22 1.127 6.597 -2.700 154 HA LYS 22 HA LYS 22 2.327 4.969 -4.672 155 1HB LYS 22 2HB LYS 22 3.581 6.507 -2.391 156 2HB LYS 22 1HB LYS 22 4.472 5.792 -3.727 157 1HG LYS 22 2HG LYS 22 4.273 7.805 -4.670 158 2HG LYS 22 1HG LYS 22 2.627 7.294 -5.047 159 1HD LYS 22 2HD LYS 22 2.289 8.214 -2.530 160 2HD LYS 22 1HD LYS 22 3.602 9.258 -3.076 161 1HE LYS 22 2HE LYS 22 2.310 10.303 -4.628 162 2HE LYS 22 1HE LYS 22 1.325 8.873 -4.931 163 1HZ LYS 22 1HZ LYS 22 1.102 10.212 -2.330 164 2HZ LYS 22 2HZ LYS 22 -0.065 9.349 -3.200 165 3HZ LYS 22 3HZ LYS 22 0.350 10.920 -3.670 166 H THR 23 H THR 23 1.927 4.626 -1.200 167 HA THR 23 HA THR 23 3.700 2.410 -0.951 168 HB THR 23 HB THR 23 1.487 2.667 0.993 169 HG1 THR 23 1HG THR 23 3.450 4.696 0.753 170 1HG2 THR 23 1HG2 THR 23 4.475 2.646 1.332 171 2HG2 THR 23 2HG2 THR 23 3.406 1.250 1.474 172 3HG2 THR 23 3HG2 THR 23 3.278 2.581 2.626 173 H TYR 24 H TYR 24 0.231 2.767 -1.444 174 HA TYR 24 HA TYR 24 -0.467 0.055 -1.177 175 1HB TYR 24 2HB TYR 24 -2.140 1.842 -1.214 176 2HB TYR 24 1HB TYR 24 -1.734 2.210 -2.884 177 HD1 TYR 24 1HD TYR 24 -3.180 1.407 -4.485 178 HD2 TYR 24 2HD TYR 24 -2.735 -0.779 -0.862 179 HE1 TYR 24 1HE TYR 24 -4.868 -0.205 -5.257 180 HE2 TYR 24 2HE TYR 24 -4.422 -2.397 -1.625 181 HH TYR 24 HH TYR 24 -5.407 -2.694 -4.746 182 H LEU 25 H LEU 25 0.894 1.920 -3.778 183 HA LEU 25 HA LEU 25 0.549 -0.106 -5.786 184 1HB LEU 25 2HB LEU 25 2.213 2.406 -5.653 185 2HB LEU 25 1HB LEU 25 2.245 1.324 -7.034 186 HG LEU 25 HG LEU 25 -0.213 2.755 -6.020 187 1HD1 LEU 25 1HD1 LEU 25 0.010 4.202 -7.921 188 2HD1 LEU 25 2HD1 LEU 25 1.426 3.314 -8.486 189 3HD1 LEU 25 3HD1 LEU 25 1.510 4.252 -6.995 190 1HD2 LEU 25 1HD2 LEU 25 -0.977 0.824 -7.079 191 2HD2 LEU 25 2HD2 LEU 25 0.297 0.874 -8.298 192 3HD2 LEU 25 3HD2 LEU 25 -1.021 2.045 -8.351 193 H ALA 26 H ALA 26 3.136 0.994 -3.667 194 HA ALA 26 HA ALA 26 5.154 -0.698 -4.645 195 1HB ALA 26 1HB ALA 26 6.118 0.895 -3.364 196 2HB ALA 26 2HB ALA 26 5.932 -0.325 -2.105 197 3HB ALA 26 3HB ALA 26 4.754 0.978 -2.251 198 H HIS 27 H HIS 27 2.540 -1.188 -2.366 199 HA HIS 27 HA HIS 27 3.567 -3.589 -1.227 200 1HB HIS 27 2HB HIS 27 1.914 -2.388 0.019 201 2HB HIS 27 1HB HIS 27 0.784 -2.418 -1.330 202 HD1 HIS 27 1HD HIS 27 2.351 -4.790 1.196 203 HD2 HIS 27 2HD HIS 27 -0.881 -4.554 -1.403 204 HE1 HIS 27 1HE HIS 27 0.925 -6.831 1.644 205 H LYS 28 H LYS 28 1.413 -2.877 -3.934 206 HA LYS 28 HA LYS 28 0.800 -5.625 -4.459 207 1HB LYS 28 2HB LYS 28 -0.525 -3.479 -5.114 208 2HB LYS 28 1HB LYS 28 0.551 -3.444 -6.504 209 1HG LYS 28 2HG LYS 28 -1.102 -4.663 -7.428 210 2HG LYS 28 1HG LYS 28 -0.242 -5.991 -6.647 211 1HD LYS 28 2HD LYS 28 -1.760 -6.036 -4.833 212 2HD LYS 28 1HD LYS 28 -2.464 -4.482 -5.291 213 1HE LYS 28 2HE LYS 28 -3.048 -5.742 -7.509 214 2HE LYS 28 1HE LYS 28 -2.854 -7.180 -6.509 215 1HZ LYS 28 1HZ LYS 28 -5.107 -6.631 -6.378 216 2HZ LYS 28 2HZ LYS 28 -4.802 -4.979 -6.185 217 3HZ LYS 28 3HZ LYS 28 -4.456 -6.055 -4.927 218 H GLN 29 H GLN 29 3.175 -3.315 -5.610 219 HA GLN 29 HA GLN 29 4.149 -5.104 -7.667 220 1HB GLN 29 2HB GLN 29 4.156 -2.395 -7.419 221 2HB GLN 29 1HB GLN 29 5.796 -2.778 -6.916 222 1HG GLN 29 2HG GLN 29 6.406 -3.534 -8.977 223 2HG GLN 29 1HG GLN 29 4.767 -4.026 -9.405 224 1HE2 GLN 29 1HE2 GLN 29 6.609 -1.089 -8.643 225 2HE2 GLN 29 2HE2 GLN 29 5.865 -0.103 -9.850 226 H PHE 30 H PHE 30 4.666 -4.722 -4.341 227 HA PHE 30 HA PHE 30 7.296 -6.034 -4.541 228 1HB PHE 30 2HB PHE 30 7.239 -3.784 -3.417 229 2HB PHE 30 1HB PHE 30 6.231 -4.503 -2.166 230 HD1 PHE 30 1HD PHE 30 9.473 -5.130 -3.904 231 HD2 PHE 30 2HD PHE 30 7.264 -5.269 -0.268 232 HE1 PHE 30 1HE PHE 30 11.493 -5.868 -2.709 233 HE2 PHE 30 2HE PHE 30 9.281 -6.006 0.933 234 HZ PHE 30 HZ PHE 30 11.400 -6.307 -0.287 235 H TYR 31 H TYR 31 4.359 -5.917 -2.517 236 HA TYR 31 HA TYR 31 4.982 -8.383 -1.206 237 1HB TYR 31 2HB TYR 31 3.508 -6.414 -0.367 238 2HB TYR 31 1HB TYR 31 2.228 -7.188 -1.297 239 HD1 TYR 31 1HD TYR 31 3.982 -7.128 1.803 240 HD2 TYR 31 2HD TYR 31 1.724 -9.656 -0.768 241 HE1 TYR 31 1HE TYR 31 3.540 -8.642 3.689 242 HE2 TYR 31 2HE TYR 31 1.275 -11.176 1.111 243 HH TYR 31 HH TYR 31 2.219 -11.761 3.274 244 H HIS 32 H HIS 32 2.584 -7.436 -3.660 245 HA HIS 32 HA HIS 32 2.013 -10.262 -4.160 246 1HB HIS 32 2HB HIS 32 0.656 -7.763 -5.190 247 2HB HIS 32 1HB HIS 32 0.144 -9.410 -5.543 248 HD1 HIS 32 1HD HIS 32 -1.316 -10.565 -3.795 249 HD2 HIS 32 2HD HIS 32 0.295 -6.968 -2.480 250 HE1 HIS 32 1HE HIS 32 -2.458 -10.033 -1.599 251 H LYS 33 H LYS 33 4.555 -9.364 -4.929 252 HA LYS 33 HA LYS 33 4.670 -10.270 -7.589 253 1HB LYS 33 2HB LYS 33 3.751 -7.898 -7.873 254 2HB LYS 33 1HB LYS 33 5.336 -7.339 -7.356 255 1HG LYS 33 2HG LYS 33 5.503 -7.292 -9.656 256 2HG LYS 33 1HG LYS 33 6.230 -8.848 -9.253 257 1HD LYS 33 2HD LYS 33 3.665 -9.601 -9.539 258 2HD LYS 33 1HD LYS 33 3.703 -8.237 -10.656 259 1HE LYS 33 2HE LYS 33 5.157 -9.265 -12.080 260 2HE LYS 33 1HE LYS 33 5.934 -10.186 -10.794 261 1HZ LYS 33 1HZ LYS 33 4.453 -11.410 -12.477 262 2HZ LYS 33 2HZ LYS 33 3.158 -10.784 -11.586 263 3HZ LYS 33 3HZ LYS 33 4.292 -11.791 -10.836 264 H ASN 34 H ASN 34 5.952 -10.988 -5.272 265 HA ASN 34 HA ASN 34 8.662 -9.897 -5.457 266 1HB ASN 34 2HB ASN 34 7.241 -10.406 -3.256 267 2HB ASN 34 1HB ASN 34 7.963 -11.998 -3.466 268 1HD2 ASN 34 1HD2 ASN 34 8.848 -11.280 -1.322 269 2HD2 ASN 34 2HD2 ASN 34 10.360 -10.447 -1.341 270 H LYS 35 H LYS 35 7.530 -11.639 -7.524 271 HA LYS 35 HA LYS 35 9.738 -13.461 -7.737 272 1HB LYS 35 2HB LYS 35 7.100 -14.410 -6.856 273 2HB LYS 35 1HB LYS 35 7.756 -15.288 -8.232 274 1HG LYS 35 2HG LYS 35 9.395 -16.244 -7.016 275 2HG LYS 35 1HG LYS 35 9.612 -14.826 -5.989 276 1HD LYS 35 2HD LYS 35 7.033 -16.181 -5.658 277 2HD LYS 35 1HD LYS 35 8.432 -17.157 -5.208 278 1HE LYS 35 2HE LYS 35 7.747 -14.409 -4.170 279 2HE LYS 35 1HE LYS 35 7.609 -15.928 -3.285 280 1HZ LYS 35 1HZ LYS 35 9.617 -15.158 -2.549 281 2HZ LYS 35 2HZ LYS 35 10.017 -14.418 -4.016 282 3HZ LYS 35 3HZ LYS 35 10.129 -16.098 -3.859 283 HA PRO 36 HA PRO 36 8.212 -11.790 -11.753 284 1HB PRO 36 2HB PRO 36 10.695 -11.572 -12.849 285 2HB PRO 36 1HB PRO 36 9.970 -10.317 -11.837 286 1HG PRO 36 2HG PRO 36 11.954 -12.435 -11.100 287 2HG PRO 36 1HG PRO 36 11.926 -10.721 -10.646 288 1HD PRO 36 2HD PRO 36 11.092 -12.669 -8.973 289 2HD PRO 36 1HD PRO 36 10.351 -11.056 -8.991 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 -24.425 -3.235 -7.344 2 2H GLY 1 2HT GLY 1 -24.007 -3.483 -5.725 3 3H GLY 1 3HT GLY 1 -22.818 -3.561 -6.925 4 1HA GLY 1 1HA GLY 1 -24.365 -1.085 -6.593 5 2HA GLY 1 2HA GLY 1 -23.057 -1.434 -5.474 6 H SER 2 H SER 2 -20.967 -2.157 -6.631 7 HA SER 2 HA SER 2 -19.210 -1.581 -7.954 8 1HB SER 2 2HB SER 2 -21.326 -0.969 -10.033 9 2HB SER 2 1HB SER 2 -19.616 -1.285 -10.333 10 HG SER 2 HG SER 2 -21.643 -3.035 -10.030 11 H ALA 3 H ALA 3 -18.063 0.235 -8.877 12 HA ALA 3 HA ALA 3 -17.412 2.415 -8.893 13 1HB ALA 3 1HB ALA 3 -18.879 3.984 -9.781 14 2HB ALA 3 2HB ALA 3 -20.287 3.246 -9.018 15 3HB ALA 3 3HB ALA 3 -19.511 2.454 -10.389 16 H ALA 4 H ALA 4 -17.987 1.110 -6.356 17 HA ALA 4 HA ALA 4 -17.791 3.379 -4.656 18 1HB ALA 4 1HB ALA 4 -20.392 1.877 -4.698 19 2HB ALA 4 2HB ALA 4 -20.121 3.617 -4.797 20 3HB ALA 4 3HB ALA 4 -19.847 2.767 -3.277 21 H GLU 5 H GLU 5 -15.927 1.659 -4.740 22 HA GLU 5 HA GLU 5 -15.460 0.652 -2.264 23 1HB GLU 5 2HB GLU 5 -17.259 -1.110 -3.759 24 2HB GLU 5 1HB GLU 5 -15.823 -1.934 -3.169 25 1HG GLU 5 2HG GLU 5 -16.504 -1.864 -1.044 26 2HG GLU 5 1HG GLU 5 -17.100 -0.210 -1.186 27 H VAL 6 H VAL 6 -13.692 1.752 -3.629 28 HA VAL 6 HA VAL 6 -12.193 -0.151 -5.265 29 HB VAL 6 HB VAL 6 -11.519 2.738 -4.711 30 1HG1 VAL 6 1HG1 VAL 6 -10.203 2.512 -6.796 31 2HG1 VAL 6 2HG1 VAL 6 -10.591 0.793 -6.819 32 3HG1 VAL 6 3HG1 VAL 6 -9.633 1.462 -5.500 33 1HG2 VAL 6 1HG2 VAL 6 -13.069 1.562 -7.017 34 2HG2 VAL 6 2HG2 VAL 6 -12.533 3.238 -6.886 35 3HG2 VAL 6 3HG2 VAL 6 -13.719 2.599 -5.747 36 H MET 7 H MET 7 -12.139 1.364 -2.145 37 HA MET 7 HA MET 7 -10.832 1.043 -0.315 38 1HB MET 7 2HB MET 7 -10.727 -1.391 -1.692 39 2HB MET 7 1HB MET 7 -9.054 -1.025 -1.301 40 1HG MET 7 2HG MET 7 -9.618 -2.131 0.586 41 2HG MET 7 1HG MET 7 -10.114 -0.511 1.070 42 1HE MET 7 1HE MET 7 -13.233 -1.001 2.461 43 2HE MET 7 2HE MET 7 -13.316 0.018 1.023 44 3HE MET 7 3HE MET 7 -11.864 0.022 2.024 45 H LYS 8 H LYS 8 -10.044 3.172 -1.302 46 HA LYS 8 HA LYS 8 -7.611 3.387 -2.650 47 1HB LYS 8 2HB LYS 8 -9.135 5.268 -2.432 48 2HB LYS 8 1HB LYS 8 -8.908 5.288 -0.690 49 1HG LYS 8 2HG LYS 8 -6.458 5.737 -1.162 50 2HG LYS 8 1HG LYS 8 -6.946 6.045 -2.829 51 1HD LYS 8 2HD LYS 8 -8.330 7.432 -0.567 52 2HD LYS 8 1HD LYS 8 -6.777 8.027 -1.158 53 1HE LYS 8 2HE LYS 8 -9.360 7.751 -2.677 54 2HE LYS 8 1HE LYS 8 -8.467 9.228 -2.318 55 1HZ LYS 8 1HZ LYS 8 -6.614 7.963 -3.662 56 2HZ LYS 8 2HZ LYS 8 -7.805 8.871 -4.448 57 3HZ LYS 8 3HZ LYS 8 -7.952 7.189 -4.352 58 H LYS 9 H LYS 9 -5.628 2.851 -2.057 59 HA LYS 9 HA LYS 9 -3.820 2.289 -0.806 60 1HB LYS 9 2HB LYS 9 -4.857 4.178 1.296 61 2HB LYS 9 1HB LYS 9 -3.190 3.778 0.915 62 1HG LYS 9 2HG LYS 9 -3.051 5.321 -0.691 63 2HG LYS 9 1HG LYS 9 -4.663 4.969 -1.312 64 1HD LYS 9 2HD LYS 9 -5.022 7.073 -0.493 65 2HD LYS 9 1HD LYS 9 -5.391 6.131 0.953 66 1HE LYS 9 2HE LYS 9 -3.352 6.646 1.956 67 2HE LYS 9 1HE LYS 9 -2.612 7.114 0.426 68 1HZ LYS 9 1HZ LYS 9 -3.455 8.883 2.171 69 2HZ LYS 9 2HZ LYS 9 -4.911 8.669 1.336 70 3HZ LYS 9 3HZ LYS 9 -3.525 9.172 0.506 71 H TYR 10 H TYR 10 -5.750 0.431 -0.590 72 HA TYR 10 HA TYR 10 -5.243 -0.652 2.040 73 1HB TYR 10 2HB TYR 10 -7.356 0.757 2.231 74 2HB TYR 10 1HB TYR 10 -8.117 -0.406 1.152 75 HD1 TYR 10 1HD TYR 10 -7.596 0.438 4.502 76 HD2 TYR 10 2HD TYR 10 -7.818 -2.941 1.925 77 HE1 TYR 10 1HE TYR 10 -8.126 -0.992 6.432 78 HE2 TYR 10 2HE TYR 10 -8.348 -4.378 3.848 79 HH TYR 10 HH TYR 10 -9.308 -3.203 6.816 80 H CYS 11 H CYS 11 -4.884 -2.780 1.865 81 HA CYS 11 HA CYS 11 -5.400 -4.060 -0.683 82 1HB CYS 11 2HB CYS 11 -3.242 -4.319 0.629 83 2HB CYS 11 1HB CYS 11 -4.143 -5.337 1.745 84 H SER 12 H SER 12 -7.017 -5.371 -1.133 85 HA SER 12 HA SER 12 -8.977 -5.986 0.911 86 1HB SER 12 2HB SER 12 -8.911 -6.027 -2.066 87 2HB SER 12 1HB SER 12 -10.050 -7.106 -1.261 88 HG SER 12 HG SER 12 -9.845 -4.313 -0.795 89 H THR 13 H THR 13 -6.253 -7.379 0.634 90 HA THR 13 HA THR 13 -7.321 -10.093 0.856 91 HB THR 13 HB THR 13 -4.764 -9.343 -0.569 92 HG1 THR 13 1HG THR 13 -6.502 -8.917 -1.886 93 1HG2 THR 13 1HG2 THR 13 -5.342 -11.899 -1.295 94 2HG2 THR 13 2HG2 THR 13 -5.773 -11.896 0.415 95 3HG2 THR 13 3HG2 THR 13 -4.148 -11.428 -0.085 96 H CYS 14 H CYS 14 -4.818 -7.772 1.690 97 HA CYS 14 HA CYS 14 -3.832 -9.568 3.789 98 1HB CYS 14 2HB CYS 14 -2.716 -6.925 2.832 99 2HB CYS 14 1HB CYS 14 -1.966 -7.995 4.011 100 H ASP 15 H ASP 15 -6.142 -7.220 3.456 101 HA ASP 15 HA ASP 15 -7.302 -5.899 4.894 102 1HB ASP 15 2HB ASP 15 -6.714 -8.286 6.247 103 2HB ASP 15 1HB ASP 15 -6.375 -7.004 7.404 104 H ILE 16 H ILE 16 -4.761 -5.005 4.081 105 HA ILE 16 HA ILE 16 -3.827 -3.524 6.451 106 HB ILE 16 HB ILE 16 -2.270 -3.799 3.891 107 1HG1 ILE 16 2HG1 ILE 16 -2.767 -6.064 4.752 108 2HG1 ILE 16 1HG1 ILE 16 -1.056 -5.669 4.881 109 1HG2 ILE 16 1HG2 ILE 16 -0.375 -3.464 5.572 110 2HG2 ILE 16 2HG2 ILE 16 -1.636 -2.983 6.708 111 3HG2 ILE 16 3HG2 ILE 16 -1.401 -2.076 5.213 112 1HD1 ILE 16 1HD1 ILE 16 -1.740 -6.790 6.871 113 2HD1 ILE 16 2HD1 ILE 16 -3.090 -5.678 7.094 114 3HD1 ILE 16 3HD1 ILE 16 -1.433 -5.100 7.266 115 H SER 17 H SER 17 -3.068 -1.302 6.026 116 HA SER 17 HA SER 17 -4.490 -0.020 3.796 117 1HB SER 17 2HB SER 17 -5.772 0.245 5.924 118 2HB SER 17 1HB SER 17 -4.378 1.072 6.619 119 HG SER 17 HG SER 17 -5.355 2.763 5.811 120 H PHE 18 H PHE 18 -3.667 2.163 3.298 121 HA PHE 18 HA PHE 18 -0.919 2.636 4.165 122 1HB PHE 18 2HB PHE 18 -1.870 2.442 1.303 123 2HB PHE 18 1HB PHE 18 -0.319 3.119 1.775 124 HD1 PHE 18 1HD PHE 18 1.339 1.628 2.955 125 HD2 PHE 18 2HD PHE 18 -2.174 0.138 1.071 126 HE1 PHE 18 1HE PHE 18 2.323 -0.628 2.913 127 HE2 PHE 18 2HE PHE 18 -1.198 -2.119 1.027 128 HZ PHE 18 HZ PHE 18 1.052 -2.505 1.948 129 H ASN 19 H ASN 19 -0.373 4.758 4.320 130 HA ASN 19 HA ASN 19 -2.536 6.675 4.144 131 1HB ASN 19 2HB ASN 19 0.254 6.748 5.263 132 2HB ASN 19 1HB ASN 19 -0.665 8.234 5.046 133 1HD2 ASN 19 1HD2 ASN 19 -3.134 7.676 5.775 134 2HD2 ASN 19 2HD2 ASN 19 -3.213 7.126 7.410 135 H TYR 20 H TYR 20 -0.502 5.488 1.910 136 HA TYR 20 HA TYR 20 -0.695 7.894 0.283 137 1HB TYR 20 2HB TYR 20 1.891 6.486 0.935 138 2HB TYR 20 1HB TYR 20 1.705 7.476 -0.508 139 HD1 TYR 20 1HD TYR 20 0.106 9.727 0.486 140 HD2 TYR 20 2HD TYR 20 3.346 7.664 2.316 141 HE1 TYR 20 1HE TYR 20 0.641 11.739 1.795 142 HE2 TYR 20 2HE TYR 20 3.889 9.670 3.629 143 HH TYR 20 HH TYR 20 3.299 12.441 3.086 144 H VAL 21 H VAL 21 -1.566 7.332 -1.599 145 HA VAL 21 HA VAL 21 -2.204 4.767 -2.377 146 HB VAL 21 HB VAL 21 -1.635 6.938 -4.387 147 1HG1 VAL 21 1HG1 VAL 21 -3.925 5.011 -4.425 148 2HG1 VAL 21 2HG1 VAL 21 -2.326 4.507 -4.976 149 3HG1 VAL 21 3HG1 VAL 21 -3.148 5.852 -5.767 150 1HG2 VAL 21 1HG2 VAL 21 -4.199 7.376 -3.924 151 2HG2 VAL 21 2HG2 VAL 21 -2.945 8.187 -2.986 152 3HG2 VAL 21 3HG2 VAL 21 -3.771 6.778 -2.321 153 H LYS 22 H LYS 22 0.785 6.495 -2.808 154 HA LYS 22 HA LYS 22 1.914 4.871 -4.831 155 1HB LYS 22 2HB LYS 22 2.938 6.839 -2.849 156 2HB LYS 22 1HB LYS 22 4.105 5.730 -3.555 157 1HG LYS 22 2HG LYS 22 4.044 7.796 -4.804 158 2HG LYS 22 1HG LYS 22 3.440 6.466 -5.795 159 1HD LYS 22 2HD LYS 22 1.193 7.167 -5.530 160 2HD LYS 22 1HD LYS 22 1.621 8.288 -4.235 161 1HE LYS 22 2HE LYS 22 2.331 9.886 -5.670 162 2HE LYS 22 1HE LYS 22 2.975 8.717 -6.821 163 1HZ LYS 22 1HZ LYS 22 0.374 8.257 -7.072 164 2HZ LYS 22 2HZ LYS 22 1.206 9.388 -8.016 165 3HZ LYS 22 3HZ LYS 22 0.325 9.899 -6.665 166 H THR 23 H THR 23 1.957 4.711 -1.300 167 HA THR 23 HA THR 23 3.735 2.526 -1.107 168 HB THR 23 HB THR 23 1.541 3.069 0.879 169 HG1 THR 23 1HG THR 23 2.697 4.754 1.682 170 1HG2 THR 23 1HG2 THR 23 4.415 2.268 1.260 171 2HG2 THR 23 2HG2 THR 23 3.024 1.188 1.357 172 3HG2 THR 23 3HG2 THR 23 3.212 2.493 2.529 173 H TYR 24 H TYR 24 0.234 2.765 -1.385 174 HA TYR 24 HA TYR 24 -0.368 0.046 -1.005 175 1HB TYR 24 2HB TYR 24 -2.044 1.881 -1.009 176 2HB TYR 24 1HB TYR 24 -1.829 2.042 -2.747 177 HD1 TYR 24 1HD TYR 24 -3.868 1.400 -3.671 178 HD2 TYR 24 2HD TYR 24 -2.094 -1.041 -0.673 179 HE1 TYR 24 1HE TYR 24 -5.595 -0.309 -4.050 180 HE2 TYR 24 2HE TYR 24 -3.815 -2.758 -1.043 181 HH TYR 24 HH TYR 24 -6.627 -2.171 -2.902 182 H LEU 25 H LEU 25 0.800 1.860 -3.735 183 HA LEU 25 HA LEU 25 0.363 -0.224 -5.665 184 1HB LEU 25 2HB LEU 25 2.044 2.285 -5.712 185 2HB LEU 25 1HB LEU 25 1.925 1.182 -7.071 186 HG LEU 25 HG LEU 25 -0.607 2.269 -5.943 187 1HD1 LEU 25 1HD1 LEU 25 -0.120 4.135 -7.792 188 2HD1 LEU 25 2HD1 LEU 25 1.524 3.880 -7.207 189 3HD1 LEU 25 3HD1 LEU 25 0.252 4.358 -6.082 190 1HD2 LEU 25 1HD2 LEU 25 -0.485 0.590 -7.799 191 2HD2 LEU 25 2HD2 LEU 25 0.287 1.831 -8.786 192 3HD2 LEU 25 3HD2 LEU 25 -1.357 2.071 -8.196 193 H ALA 26 H ALA 26 3.070 0.991 -3.763 194 HA ALA 26 HA ALA 26 5.052 -0.701 -4.788 195 1HB ALA 26 1HB ALA 26 5.147 1.374 -3.150 196 2HB ALA 26 2HB ALA 26 6.418 0.152 -3.171 197 3HB ALA 26 3HB ALA 26 5.167 0.099 -1.931 198 H HIS 27 H HIS 27 2.570 -1.181 -2.357 199 HA HIS 27 HA HIS 27 3.660 -3.560 -1.244 200 1HB HIS 27 2HB HIS 27 2.054 -2.409 0.077 201 2HB HIS 27 1HB HIS 27 0.885 -2.373 -1.239 202 HD1 HIS 27 1HD HIS 27 2.418 -4.807 1.236 203 HD2 HIS 27 2HD HIS 27 -0.793 -4.509 -1.381 204 HE1 HIS 27 1HE HIS 27 0.971 -6.842 1.649 205 H LYS 28 H LYS 28 1.393 -2.902 -3.870 206 HA LYS 28 HA LYS 28 0.775 -5.653 -4.345 207 1HB LYS 28 2HB LYS 28 -0.572 -3.526 -4.995 208 2HB LYS 28 1HB LYS 28 0.477 -3.490 -6.406 209 1HG LYS 28 2HG LYS 28 -1.397 -4.638 -7.144 210 2HG LYS 28 1HG LYS 28 -0.253 -5.926 -6.760 211 1HD LYS 28 2HD LYS 28 -2.445 -6.494 -5.904 212 2HD LYS 28 1HD LYS 28 -1.339 -6.196 -4.561 213 1HE LYS 28 2HE LYS 28 -2.844 -3.852 -5.522 214 2HE LYS 28 1HE LYS 28 -3.808 -5.117 -4.762 215 1HZ LYS 28 1HZ LYS 28 -2.915 -4.712 -2.751 216 2HZ LYS 28 2HZ LYS 28 -2.598 -3.185 -3.404 217 3HZ LYS 28 3HZ LYS 28 -1.379 -4.356 -3.364 218 H GLN 29 H GLN 29 3.108 -3.357 -5.616 219 HA GLN 29 HA GLN 29 4.029 -5.194 -7.655 220 1HB GLN 29 2HB GLN 29 4.011 -2.497 -7.526 221 2HB GLN 29 1HB GLN 29 5.654 -2.815 -6.985 222 1HG GLN 29 2HG GLN 29 5.987 -4.188 -9.037 223 2HG GLN 29 1HG GLN 29 4.400 -3.652 -9.588 224 1HE2 GLN 29 1HE2 GLN 29 4.795 -2.322 -11.220 225 2HE2 GLN 29 2HE2 GLN 29 5.859 -0.961 -11.174 226 H PHE 30 H PHE 30 4.693 -4.648 -4.358 227 HA PHE 30 HA PHE 30 7.318 -5.958 -4.612 228 1HB PHE 30 2HB PHE 30 7.131 -3.666 -3.482 229 2HB PHE 30 1HB PHE 30 6.336 -4.511 -2.159 230 HD1 PHE 30 1HD PHE 30 9.317 -5.236 -4.287 231 HD2 PHE 30 2HD PHE 30 7.735 -4.757 -0.366 232 HE1 PHE 30 1HE PHE 30 11.515 -5.803 -3.336 233 HE2 PHE 30 2HE PHE 30 9.930 -5.321 0.593 234 HZ PHE 30 HZ PHE 30 11.823 -5.845 -0.892 235 H TYR 31 H TYR 31 4.429 -5.880 -2.521 236 HA TYR 31 HA TYR 31 5.131 -8.316 -1.195 237 1HB TYR 31 2HB TYR 31 3.601 -6.335 -0.404 238 2HB TYR 31 1HB TYR 31 2.335 -7.242 -1.224 239 HD1 TYR 31 1HD TYR 31 4.189 -6.868 1.786 240 HD2 TYR 31 2HD TYR 31 2.042 -9.714 -0.535 241 HE1 TYR 31 1HE TYR 31 3.928 -8.286 3.778 242 HE2 TYR 31 2HE TYR 31 1.774 -11.140 1.450 243 HH TYR 31 HH TYR 31 2.920 -11.500 3.627 244 H HIS 32 H HIS 32 2.710 -7.442 -3.650 245 HA HIS 32 HA HIS 32 2.124 -10.275 -4.069 246 1HB HIS 32 2HB HIS 32 0.810 -7.787 -5.179 247 2HB HIS 32 1HB HIS 32 0.292 -9.433 -5.526 248 HD1 HIS 32 1HD HIS 32 -1.232 -10.547 -3.814 249 HD2 HIS 32 2HD HIS 32 0.410 -6.973 -2.474 250 HE1 HIS 32 1HE HIS 32 -2.415 -9.988 -1.647 251 H LYS 33 H LYS 33 4.680 -9.543 -4.832 252 HA LYS 33 HA LYS 33 4.773 -10.468 -7.490 253 1HB LYS 33 2HB LYS 33 4.127 -7.851 -7.509 254 2HB LYS 33 1HB LYS 33 5.880 -7.719 -7.468 255 1HG LYS 33 2HG LYS 33 5.308 -7.676 -9.737 256 2HG LYS 33 1HG LYS 33 5.898 -9.313 -9.443 257 1HD LYS 33 2HD LYS 33 3.972 -9.667 -10.695 258 2HD LYS 33 1HD LYS 33 3.413 -9.888 -9.036 259 1HE LYS 33 2HE LYS 33 1.780 -8.482 -9.739 260 2HE LYS 33 1HE LYS 33 2.971 -7.268 -9.274 261 1HZ LYS 33 1HZ LYS 33 3.064 -8.305 -12.009 262 2HZ LYS 33 2HZ LYS 33 3.434 -6.761 -11.428 263 3HZ LYS 33 3HZ LYS 33 1.820 -7.227 -11.616 264 H ASN 34 H ASN 34 5.973 -11.268 -5.154 265 HA ASN 34 HA ASN 34 8.766 -10.398 -5.376 266 1HB ASN 34 2HB ASN 34 7.320 -10.612 -3.141 267 2HB ASN 34 1HB ASN 34 7.900 -12.273 -3.231 268 1HD2 ASN 34 1HD2 ASN 34 8.699 -11.045 -1.101 269 2HD2 ASN 34 2HD2 ASN 34 10.339 -10.513 -1.204 270 H LYS 35 H LYS 35 7.833 -11.979 -7.449 271 HA LYS 35 HA LYS 35 8.371 -13.821 -8.668 272 1HB LYS 35 2HB LYS 35 10.508 -14.133 -6.551 273 2HB LYS 35 1HB LYS 35 10.453 -15.023 -8.066 274 1HG LYS 35 2HG LYS 35 11.800 -13.400 -8.806 275 2HG LYS 35 1HG LYS 35 10.309 -12.470 -8.963 276 1HD LYS 35 2HD LYS 35 11.903 -11.118 -7.799 277 2HD LYS 35 1HD LYS 35 10.677 -11.632 -6.638 278 1HE LYS 35 2HE LYS 35 12.496 -12.143 -5.395 279 2HE LYS 35 1HE LYS 35 12.434 -13.631 -6.337 280 1HZ LYS 35 1HZ LYS 35 14.566 -13.097 -6.746 281 2HZ LYS 35 2HZ LYS 35 14.343 -11.446 -6.448 282 3HZ LYS 35 3HZ LYS 35 13.896 -12.104 -7.941 283 HA PRO 36 HA PRO 36 6.206 -16.456 -5.381 284 1HB PRO 36 2HB PRO 36 3.727 -16.413 -6.487 285 2HB PRO 36 1HB PRO 36 4.275 -15.212 -5.312 286 1HG PRO 36 2HG PRO 36 4.141 -15.017 -8.296 287 2HG PRO 36 1HG PRO 36 3.682 -13.816 -7.076 288 1HD PRO 36 2HD PRO 36 6.031 -13.703 -8.413 289 2HD PRO 36 1HD PRO 36 5.861 -13.141 -6.737 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 -24.589 -3.797 -3.191 2 2H GLY 1 2HT GLY 1 -25.540 -2.604 -2.459 3 3H GLY 1 3HT GLY 1 -23.876 -2.660 -2.158 4 1HA GLY 1 1HA GLY 1 -25.284 -1.813 -4.610 5 2HA GLY 1 2HA GLY 1 -24.093 -0.925 -3.671 6 H SER 2 H SER 2 -22.164 -2.947 -3.378 7 HA SER 2 HA SER 2 -20.331 -3.794 -4.424 8 1HB SER 2 2HB SER 2 -22.422 -5.045 -5.585 9 2HB SER 2 1HB SER 2 -21.729 -4.251 -6.998 10 HG SER 2 HG SER 2 -20.939 -6.478 -6.083 11 H ALA 3 H ALA 3 -20.791 -0.987 -4.567 12 HA ALA 3 HA ALA 3 -18.843 -0.252 -6.464 13 1HB ALA 3 1HB ALA 3 -20.359 1.211 -7.881 14 2HB ALA 3 2HB ALA 3 -21.700 0.258 -7.246 15 3HB ALA 3 3HB ALA 3 -20.429 -0.525 -8.183 16 H ALA 4 H ALA 4 -17.837 1.229 -5.282 17 HA ALA 4 HA ALA 4 -19.276 3.582 -4.394 18 1HB ALA 4 1HB ALA 4 -18.046 3.240 -2.079 19 2HB ALA 4 2HB ALA 4 -18.216 1.540 -2.514 20 3HB ALA 4 3HB ALA 4 -19.645 2.564 -2.385 21 H GLU 5 H GLU 5 -16.196 1.818 -4.312 22 HA GLU 5 HA GLU 5 -14.645 3.518 -5.749 23 1HB GLU 5 2HB GLU 5 -15.214 4.643 -3.105 24 2HB GLU 5 1HB GLU 5 -13.494 4.527 -3.447 25 1HG GLU 5 2HG GLU 5 -15.252 5.681 -5.538 26 2HG GLU 5 1HG GLU 5 -14.914 6.649 -4.105 27 H VAL 6 H VAL 6 -14.340 1.048 -5.797 28 HA VAL 6 HA VAL 6 -12.656 -0.088 -3.769 29 HB VAL 6 HB VAL 6 -14.202 -1.492 -5.063 30 1HG1 VAL 6 1HG1 VAL 6 -12.404 -0.841 -7.394 31 2HG1 VAL 6 2HG1 VAL 6 -14.094 -0.371 -7.203 32 3HG1 VAL 6 3HG1 VAL 6 -13.667 -2.071 -7.397 33 1HG2 VAL 6 1HG2 VAL 6 -12.773 -3.352 -5.315 34 2HG2 VAL 6 2HG2 VAL 6 -12.040 -2.357 -4.057 35 3HG2 VAL 6 3HG2 VAL 6 -11.385 -2.333 -5.694 36 H MET 7 H MET 7 -10.501 -0.937 -4.178 37 HA MET 7 HA MET 7 -8.319 -0.711 -4.778 38 1HB MET 7 2HB MET 7 -9.635 -0.994 -7.116 39 2HB MET 7 1HB MET 7 -8.929 0.597 -7.366 40 1HG MET 7 2HG MET 7 -7.162 -0.529 -8.120 41 2HG MET 7 1HG MET 7 -6.797 -0.792 -6.416 42 1HE MET 7 1HE MET 7 -8.201 -4.083 -5.548 43 2HE MET 7 2HE MET 7 -7.524 -2.521 -5.085 44 3HE MET 7 3HE MET 7 -6.465 -3.801 -5.673 45 H LYS 8 H LYS 8 -7.233 0.759 -3.656 46 HA LYS 8 HA LYS 8 -6.888 3.410 -4.647 47 1HB LYS 8 2HB LYS 8 -8.991 3.854 -3.586 48 2HB LYS 8 1HB LYS 8 -8.502 3.009 -2.126 49 1HG LYS 8 2HG LYS 8 -7.021 4.730 -1.503 50 2HG LYS 8 1HG LYS 8 -7.096 5.477 -3.100 51 1HD LYS 8 2HD LYS 8 -9.576 5.193 -1.447 52 2HD LYS 8 1HD LYS 8 -8.444 6.510 -1.131 53 1HE LYS 8 2HE LYS 8 -9.171 6.116 -3.955 54 2HE LYS 8 1HE LYS 8 -10.485 6.642 -2.905 55 1HZ LYS 8 1HZ LYS 8 -7.853 8.003 -3.003 56 2HZ LYS 8 2HZ LYS 8 -9.281 8.561 -2.286 57 3HZ LYS 8 3HZ LYS 8 -9.164 8.460 -3.971 58 H LYS 9 H LYS 9 -6.828 2.454 -1.241 59 HA LYS 9 HA LYS 9 -3.966 1.976 -1.332 60 1HB LYS 9 2HB LYS 9 -5.082 4.118 0.482 61 2HB LYS 9 1HB LYS 9 -3.397 3.666 0.277 62 1HG LYS 9 2HG LYS 9 -3.366 4.556 -1.949 63 2HG LYS 9 1HG LYS 9 -5.102 4.865 -1.892 64 1HD LYS 9 2HD LYS 9 -4.244 6.200 0.318 65 2HD LYS 9 1HD LYS 9 -2.870 6.407 -0.770 66 1HE LYS 9 2HE LYS 9 -3.975 7.893 -2.005 67 2HE LYS 9 1HE LYS 9 -5.369 6.825 -2.154 68 1HZ LYS 9 1HZ LYS 9 -5.761 9.027 -1.028 69 2HZ LYS 9 2HZ LYS 9 -4.859 8.437 0.277 70 3HZ LYS 9 3HZ LYS 9 -6.292 7.663 -0.179 71 H TYR 10 H TYR 10 -5.926 0.150 -0.825 72 HA TYR 10 HA TYR 10 -5.281 -0.654 1.878 73 1HB TYR 10 2HB TYR 10 -7.332 0.769 2.112 74 2HB TYR 10 1HB TYR 10 -8.183 -0.366 1.070 75 HD1 TYR 10 1HD TYR 10 -7.512 0.494 4.393 76 HD2 TYR 10 2HD TYR 10 -8.041 -2.896 1.879 77 HE1 TYR 10 1HE TYR 10 -8.079 -0.868 6.360 78 HE2 TYR 10 2HE TYR 10 -8.610 -4.267 3.838 79 HH TYR 10 HH TYR 10 -9.489 -3.926 6.133 80 H CYS 11 H CYS 11 -5.007 -2.805 1.957 81 HA CYS 11 HA CYS 11 -5.851 -4.344 -0.392 82 1HB CYS 11 2HB CYS 11 -3.426 -4.323 0.523 83 2HB CYS 11 1HB CYS 11 -4.040 -5.415 1.751 84 H SER 12 H SER 12 -7.550 -5.602 -0.299 85 HA SER 12 HA SER 12 -8.863 -6.152 2.208 86 1HB SER 12 2HB SER 12 -9.750 -7.513 -0.284 87 2HB SER 12 1HB SER 12 -10.703 -6.698 0.956 88 HG SER 12 HG SER 12 -9.744 -4.704 0.068 89 H THR 13 H THR 13 -6.669 -7.759 0.084 90 HA THR 13 HA THR 13 -7.225 -10.416 1.016 91 HB THR 13 HB THR 13 -4.684 -9.575 -0.353 92 HG1 THR 13 1HG THR 13 -6.191 -8.660 -1.648 93 1HG2 THR 13 1HG2 THR 13 -6.143 -11.950 -1.238 94 2HG2 THR 13 2HG2 THR 13 -5.524 -12.032 0.411 95 3HG2 THR 13 3HG2 THR 13 -4.422 -11.715 -0.929 96 H CYS 14 H CYS 14 -4.766 -7.939 1.670 97 HA CYS 14 HA CYS 14 -3.654 -9.652 3.778 98 1HB CYS 14 2HB CYS 14 -2.566 -7.039 2.726 99 2HB CYS 14 1HB CYS 14 -1.743 -8.183 3.778 100 H ASP 15 H ASP 15 -6.039 -7.448 3.539 101 HA ASP 15 HA ASP 15 -7.091 -6.010 4.947 102 1HB ASP 15 2HB ASP 15 -5.730 -7.775 6.990 103 2HB ASP 15 1HB ASP 15 -7.048 -6.661 7.336 104 H ILE 16 H ILE 16 -4.707 -5.003 3.939 105 HA ILE 16 HA ILE 16 -3.540 -3.564 6.228 106 HB ILE 16 HB ILE 16 -2.369 -3.600 3.459 107 1HG1 ILE 16 2HG1 ILE 16 -1.569 -5.483 5.678 108 2HG1 ILE 16 1HG1 ILE 16 -2.681 -5.945 4.393 109 1HG2 ILE 16 1HG2 ILE 16 -1.399 -1.912 4.748 110 2HG2 ILE 16 2HG2 ILE 16 -0.266 -3.258 4.872 111 3HG2 ILE 16 3HG2 ILE 16 -1.372 -2.912 6.200 112 1HD1 ILE 16 1HD1 ILE 16 0.102 -4.937 3.888 113 2HD1 ILE 16 2HD1 ILE 16 -0.999 -5.699 2.741 114 3HD1 ILE 16 3HD1 ILE 16 -0.307 -6.644 4.061 115 H SER 17 H SER 17 -2.980 -1.282 5.840 116 HA SER 17 HA SER 17 -4.746 0.022 3.890 117 1HB SER 17 2HB SER 17 -4.834 1.824 5.902 118 2HB SER 17 1HB SER 17 -6.039 0.553 5.698 119 HG SER 17 HG SER 17 -3.716 0.365 7.319 120 H PHE 18 H PHE 18 -4.015 2.033 3.111 121 HA PHE 18 HA PHE 18 -1.336 2.868 3.929 122 1HB PHE 18 2HB PHE 18 -2.216 2.316 1.090 123 2HB PHE 18 1HB PHE 18 -0.701 3.088 1.537 124 HD1 PHE 18 1HD PHE 18 0.228 1.511 3.780 125 HD2 PHE 18 2HD PHE 18 -1.700 0.255 0.201 126 HE1 PHE 18 1HE PHE 18 1.274 -0.707 3.998 127 HE2 PHE 18 2HE PHE 18 -0.661 -1.964 0.414 128 HZ PHE 18 HZ PHE 18 0.828 -2.449 2.316 129 H ASN 19 H ASN 19 -1.147 5.008 4.123 130 HA ASN 19 HA ASN 19 -3.408 6.672 3.337 131 1HB ASN 19 2HB ASN 19 -1.166 6.919 5.279 132 2HB ASN 19 1HB ASN 19 -1.826 8.409 4.612 133 1HD2 ASN 19 1HD2 ASN 19 -3.800 9.108 5.256 134 2HD2 ASN 19 2HD2 ASN 19 -4.743 8.334 6.480 135 H TYR 20 H TYR 20 -1.018 5.594 1.610 136 HA TYR 20 HA TYR 20 -0.801 8.013 0.027 137 1HB TYR 20 2HB TYR 20 1.579 6.599 1.223 138 2HB TYR 20 1HB TYR 20 1.708 7.636 -0.191 139 HD1 TYR 20 1HD TYR 20 0.544 10.030 0.150 140 HD2 TYR 20 2HD TYR 20 2.027 7.550 3.273 141 HE1 TYR 20 1HE TYR 20 0.749 11.999 1.609 142 HE2 TYR 20 2HE TYR 20 2.236 9.511 4.740 143 HH TYR 20 HH TYR 20 0.751 12.354 4.233 144 H VAL 21 H VAL 21 -1.228 7.468 -1.999 145 HA VAL 21 HA VAL 21 -1.677 4.937 -2.957 146 HB VAL 21 HB VAL 21 -0.624 7.199 -4.657 147 1HG1 VAL 21 1HG1 VAL 21 -2.469 5.989 -6.165 148 2HG1 VAL 21 2HG1 VAL 21 -1.954 4.611 -5.193 149 3HG1 VAL 21 3HG1 VAL 21 -0.773 5.503 -6.153 150 1HG2 VAL 21 1HG2 VAL 21 -3.348 6.715 -3.490 151 2HG2 VAL 21 2HG2 VAL 21 -3.126 7.654 -4.968 152 3HG2 VAL 21 3HG2 VAL 21 -2.379 8.190 -3.463 153 H LYS 22 H LYS 22 1.363 6.596 -2.615 154 HA LYS 22 HA LYS 22 2.906 4.993 -4.353 155 1HB LYS 22 2HB LYS 22 4.839 5.916 -3.226 156 2HB LYS 22 1HB LYS 22 3.650 7.186 -3.474 157 1HG LYS 22 2HG LYS 22 2.953 6.346 -1.008 158 2HG LYS 22 1HG LYS 22 4.687 6.019 -0.983 159 1HD LYS 22 2HD LYS 22 4.232 8.256 -0.145 160 2HD LYS 22 1HD LYS 22 5.123 8.337 -1.666 161 1HE LYS 22 2HE LYS 22 2.430 8.338 -2.398 162 2HE LYS 22 1HE LYS 22 2.522 9.399 -0.992 163 1HZ LYS 22 1HZ LYS 22 4.619 10.255 -2.366 164 2HZ LYS 22 2HZ LYS 22 3.067 10.898 -2.565 165 3HZ LYS 22 3HZ LYS 22 3.647 9.740 -3.651 166 H THR 23 H THR 23 1.925 4.641 -1.002 167 HA THR 23 HA THR 23 3.659 2.439 -0.459 168 HB THR 23 HB THR 23 1.162 2.699 1.107 169 HG1 THR 23 1HG THR 23 1.889 4.612 2.090 170 1HG2 THR 23 1HG2 THR 23 3.408 1.419 1.633 171 2HG2 THR 23 2HG2 THR 23 2.437 2.166 2.902 172 3HG2 THR 23 3HG2 THR 23 3.864 2.995 2.279 173 H TYR 24 H TYR 24 0.318 2.782 -1.508 174 HA TYR 24 HA TYR 24 -0.361 0.039 -1.356 175 1HB TYR 24 2HB TYR 24 -2.019 1.883 -1.541 176 2HB TYR 24 1HB TYR 24 -1.497 2.152 -3.199 177 HD1 TYR 24 1HD TYR 24 -2.200 0.699 -4.974 178 HD2 TYR 24 2HD TYR 24 -3.255 -0.170 -0.945 179 HE1 TYR 24 1HE TYR 24 -3.822 -0.971 -5.765 180 HE2 TYR 24 2HE TYR 24 -4.878 -1.844 -1.725 181 HH TYR 24 HH TYR 24 -5.322 -3.217 -3.662 182 H LEU 25 H LEU 25 1.324 1.984 -3.679 183 HA LEU 25 HA LEU 25 1.190 0.076 -5.819 184 1HB LEU 25 2HB LEU 25 2.866 2.532 -5.331 185 2HB LEU 25 1HB LEU 25 3.093 1.514 -6.741 186 HG LEU 25 HG LEU 25 0.514 2.921 -6.043 187 1HD1 LEU 25 1HD1 LEU 25 2.633 3.626 -8.068 188 2HD1 LEU 25 2HD1 LEU 25 2.246 4.528 -6.603 189 3HD1 LEU 25 3HD1 LEU 25 1.064 4.414 -7.906 190 1HD2 LEU 25 1HD2 LEU 25 -0.051 1.056 -7.335 191 2HD2 LEU 25 2HD2 LEU 25 1.391 1.200 -8.340 192 3HD2 LEU 25 3HD2 LEU 25 0.081 2.370 -8.505 193 H ALA 26 H ALA 26 3.561 0.999 -3.373 194 HA ALA 26 HA ALA 26 5.600 -0.749 -4.199 195 1HB ALA 26 1HB ALA 26 5.014 0.776 -1.711 196 2HB ALA 26 2HB ALA 26 6.399 0.879 -2.798 197 3HB ALA 26 3HB ALA 26 6.260 -0.471 -1.672 198 H HIS 27 H HIS 27 2.742 -1.194 -2.237 199 HA HIS 27 HA HIS 27 3.572 -3.671 -1.077 200 1HB HIS 27 2HB HIS 27 1.872 -2.397 0.059 201 2HB HIS 27 1HB HIS 27 0.841 -2.403 -1.370 202 HD1 HIS 27 1HD HIS 27 2.204 -4.826 1.227 203 HD2 HIS 27 2HD HIS 27 -0.859 -4.502 -1.556 204 HE1 HIS 27 1HE HIS 27 0.727 -6.851 1.554 205 H LYS 28 H LYS 28 1.410 -2.821 -3.773 206 HA LYS 28 HA LYS 28 0.887 -5.531 -4.479 207 1HB LYS 28 2HB LYS 28 -0.308 -3.192 -5.088 208 2HB LYS 28 1HB LYS 28 0.632 -3.432 -6.555 209 1HG LYS 28 2HG LYS 28 -0.416 -5.843 -6.435 210 2HG LYS 28 1HG LYS 28 -1.642 -5.012 -5.475 211 1HD LYS 28 2HD LYS 28 -0.757 -4.229 -8.253 212 2HD LYS 28 1HD LYS 28 -2.242 -5.095 -7.854 213 1HE LYS 28 2HE LYS 28 -3.133 -3.024 -7.864 214 2HE LYS 28 1HE LYS 28 -2.488 -2.968 -6.223 215 1HZ LYS 28 1HZ LYS 28 -1.972 -1.056 -7.854 216 2HZ LYS 28 2HZ LYS 28 -0.814 -2.113 -8.489 217 3HZ LYS 28 3HZ LYS 28 -0.732 -1.647 -6.866 218 H GLN 29 H GLN 29 3.458 -3.339 -5.140 219 HA GLN 29 HA GLN 29 4.377 -4.738 -7.498 220 1HB GLN 29 2HB GLN 29 4.617 -2.227 -7.003 221 2HB GLN 29 1HB GLN 29 5.940 -2.692 -5.945 222 1HG GLN 29 2HG GLN 29 6.591 -4.017 -8.221 223 2HG GLN 29 1HG GLN 29 5.810 -2.575 -8.866 224 1HE2 GLN 29 1HE2 GLN 29 7.223 -1.074 -9.362 225 2HE2 GLN 29 2HE2 GLN 29 8.664 -0.694 -8.489 226 H PHE 30 H PHE 30 4.990 -4.793 -4.072 227 HA PHE 30 HA PHE 30 7.233 -6.649 -4.534 228 1HB PHE 30 2HB PHE 30 7.461 -4.377 -3.192 229 2HB PHE 30 1HB PHE 30 6.829 -5.361 -1.876 230 HD1 PHE 30 1HD PHE 30 9.729 -4.344 -3.594 231 HD2 PHE 30 2HD PHE 30 8.044 -7.630 -1.478 232 HE1 PHE 30 1HE PHE 30 11.987 -5.231 -3.181 233 HE2 PHE 30 2HE PHE 30 10.299 -8.522 -1.059 234 HZ PHE 30 HZ PHE 30 12.273 -7.322 -1.911 235 H TYR 31 H TYR 31 4.367 -6.084 -2.508 236 HA TYR 31 HA TYR 31 4.613 -8.585 -1.146 237 1HB TYR 31 2HB TYR 31 3.218 -6.278 -0.676 238 2HB TYR 31 1HB TYR 31 1.940 -7.366 -1.208 239 HD1 TYR 31 1HD TYR 31 4.459 -6.720 1.378 240 HD2 TYR 31 2HD TYR 31 1.305 -9.285 0.124 241 HE1 TYR 31 1HE TYR 31 4.390 -7.721 3.623 242 HE2 TYR 31 2HE TYR 31 1.226 -10.293 2.366 243 HH TYR 31 HH TYR 31 2.619 -10.577 4.309 244 H HIS 32 H HIS 32 2.903 -7.487 -4.011 245 HA HIS 32 HA HIS 32 1.878 -10.227 -4.354 246 1HB HIS 32 2HB HIS 32 0.719 -7.619 -5.347 247 2HB HIS 32 1HB HIS 32 0.112 -9.208 -5.798 248 HD1 HIS 32 1HD HIS 32 -1.449 -10.368 -4.137 249 HD2 HIS 32 2HD HIS 32 0.310 -6.922 -2.617 250 HE1 HIS 32 1HE HIS 32 -2.624 -9.871 -1.951 251 H LYS 33 H LYS 33 4.437 -8.731 -5.236 252 HA LYS 33 HA LYS 33 5.761 -8.519 -7.092 253 1HB LYS 33 2HB LYS 33 4.482 -11.220 -7.291 254 2HB LYS 33 1HB LYS 33 5.588 -10.682 -8.549 255 1HG LYS 33 2HG LYS 33 6.868 -11.943 -7.025 256 2HG LYS 33 1HG LYS 33 7.272 -10.251 -6.729 257 1HD LYS 33 2HD LYS 33 6.971 -11.444 -4.627 258 2HD LYS 33 1HD LYS 33 5.717 -10.219 -4.832 259 1HE LYS 33 2HE LYS 33 4.906 -12.429 -3.974 260 2HE LYS 33 1HE LYS 33 4.102 -11.859 -5.434 261 1HZ LYS 33 1HZ LYS 33 5.129 -13.442 -6.725 262 2HZ LYS 33 2HZ LYS 33 4.898 -14.297 -5.284 263 3HZ LYS 33 3HZ LYS 33 6.420 -13.658 -5.652 264 H ASN 34 H ASN 34 3.479 -7.019 -7.466 265 HA ASN 34 HA ASN 34 2.236 -5.968 -9.059 266 1HB ASN 34 2HB ASN 34 4.147 -7.212 -11.041 267 2HB ASN 34 1HB ASN 34 3.216 -5.730 -11.236 268 1HD2 ASN 34 1HD2 ASN 34 5.930 -7.223 -9.642 269 2HD2 ASN 34 2HD2 ASN 34 6.715 -5.757 -9.175 270 H LYS 35 H LYS 35 1.462 -8.664 -8.287 271 HA LYS 35 HA LYS 35 -0.597 -9.104 -10.144 272 1HB LYS 35 2HB LYS 35 0.105 -11.276 -11.077 273 2HB LYS 35 1HB LYS 35 1.146 -9.960 -11.601 274 1HG LYS 35 2HG LYS 35 2.907 -11.090 -10.889 275 2HG LYS 35 1HG LYS 35 2.278 -11.018 -9.242 276 1HD LYS 35 2HD LYS 35 2.692 -13.321 -9.853 277 2HD LYS 35 1HD LYS 35 0.954 -13.055 -9.694 278 1HE LYS 35 2HE LYS 35 1.624 -14.414 -11.684 279 2HE LYS 35 1HE LYS 35 0.672 -12.979 -12.059 280 1HZ LYS 35 1HZ LYS 35 2.566 -11.857 -12.837 281 2HZ LYS 35 2HZ LYS 35 2.670 -13.408 -13.506 282 3HZ LYS 35 3HZ LYS 35 3.630 -12.995 -12.176 283 HA PRO 36 HA PRO 36 -1.283 -10.975 -6.012 284 1HB PRO 36 2HB PRO 36 -3.892 -10.271 -5.845 285 2HB PRO 36 1HB PRO 36 -2.579 -9.160 -5.437 286 1HG PRO 36 2HG PRO 36 -4.181 -9.352 -7.958 287 2HG PRO 36 1HG PRO 36 -3.685 -7.909 -7.055 288 1HD PRO 36 2HD PRO 36 -2.393 -8.764 -9.282 289 2HD PRO 36 1HD PRO 36 -1.566 -7.921 -7.958 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 -18.038 -4.508 6.564 2 2H GLY 1 2HT GLY 1 -19.632 -4.550 7.130 3 3H GLY 1 3HT GLY 1 -18.892 -3.066 6.795 4 1HA GLY 1 1HA GLY 1 -19.639 -5.161 4.831 5 2HA GLY 1 2HA GLY 1 -20.403 -3.591 5.024 6 H SER 2 H SER 2 -19.970 -2.552 3.173 7 HA SER 2 HA SER 2 -17.414 -1.505 2.679 8 1HB SER 2 2HB SER 2 -16.669 -3.588 1.860 9 2HB SER 2 1HB SER 2 -18.194 -3.905 1.033 10 HG SER 2 HG SER 2 -16.225 -1.986 0.337 11 H ALA 3 H ALA 3 -17.638 0.305 1.511 12 HA ALA 3 HA ALA 3 -20.213 0.746 0.176 13 1HB ALA 3 1HB ALA 3 -19.803 3.096 0.420 14 2HB ALA 3 2HB ALA 3 -18.147 2.800 0.949 15 3HB ALA 3 3HB ALA 3 -19.500 2.314 1.971 16 H ALA 4 H ALA 4 -19.445 -0.568 -1.654 17 HA ALA 4 HA ALA 4 -18.745 -0.747 -3.809 18 1HB ALA 4 1HB ALA 4 -18.892 2.181 -3.399 19 2HB ALA 4 2HB ALA 4 -19.696 1.159 -4.590 20 3HB ALA 4 3HB ALA 4 -18.006 1.612 -4.814 21 H GLU 5 H GLU 5 -16.619 1.960 -2.981 22 HA GLU 5 HA GLU 5 -14.343 0.748 -2.132 23 1HB GLU 5 2HB GLU 5 -13.047 0.592 -4.370 24 2HB GLU 5 1HB GLU 5 -14.103 -0.737 -3.916 25 1HG GLU 5 2HG GLU 5 -15.448 -0.424 -5.669 26 2HG GLU 5 1HG GLU 5 -15.431 1.330 -5.491 27 H VAL 6 H VAL 6 -14.984 3.060 -1.445 28 HA VAL 6 HA VAL 6 -13.913 5.114 -3.213 29 HB VAL 6 HB VAL 6 -16.029 5.545 -2.022 30 1HG1 VAL 6 1HG1 VAL 6 -16.028 5.952 0.385 31 2HG1 VAL 6 2HG1 VAL 6 -14.332 5.475 0.471 32 3HG1 VAL 6 3HG1 VAL 6 -15.560 4.291 0.021 33 1HG2 VAL 6 1HG2 VAL 6 -14.981 7.699 -0.767 34 2HG2 VAL 6 2HG2 VAL 6 -15.222 7.590 -2.510 35 3HG2 VAL 6 3HG2 VAL 6 -13.638 7.246 -1.817 36 H MET 7 H MET 7 -13.248 3.623 -0.083 37 HA MET 7 HA MET 7 -11.020 5.327 0.502 38 1HB MET 7 2HB MET 7 -12.585 3.780 2.046 39 2HB MET 7 1HB MET 7 -11.237 2.675 1.815 40 1HG MET 7 2HG MET 7 -9.838 4.814 2.480 41 2HG MET 7 1HG MET 7 -11.353 5.260 3.263 42 1HE MET 7 1HE MET 7 -8.205 3.494 5.309 43 2HE MET 7 2HE MET 7 -8.255 4.360 3.773 44 3HE MET 7 3HE MET 7 -8.154 2.599 3.790 45 H LYS 8 H LYS 8 -9.320 5.253 -0.836 46 HA LYS 8 HA LYS 8 -8.439 2.750 -2.004 47 1HB LYS 8 2HB LYS 8 -6.779 4.146 -3.170 48 2HB LYS 8 1HB LYS 8 -8.413 4.759 -3.382 49 1HG LYS 8 2HG LYS 8 -7.993 6.665 -2.248 50 2HG LYS 8 1HG LYS 8 -6.880 5.882 -1.124 51 1HD LYS 8 2HD LYS 8 -5.670 7.443 -2.527 52 2HD LYS 8 1HD LYS 8 -5.185 5.791 -2.915 53 1HE LYS 8 2HE LYS 8 -7.400 7.053 -4.461 54 2HE LYS 8 1HE LYS 8 -5.737 7.522 -4.814 55 1HZ LYS 8 1HZ LYS 8 -7.092 4.986 -5.286 56 2HZ LYS 8 2HZ LYS 8 -5.470 4.897 -4.816 57 3HZ LYS 8 3HZ LYS 8 -5.902 5.765 -6.202 58 H LYS 9 H LYS 9 -5.792 2.792 -2.088 59 HA LYS 9 HA LYS 9 -3.920 2.204 -0.941 60 1HB LYS 9 2HB LYS 9 -4.785 4.120 1.213 61 2HB LYS 9 1HB LYS 9 -3.155 3.696 0.720 62 1HG LYS 9 2HG LYS 9 -3.379 4.920 -1.320 63 2HG LYS 9 1HG LYS 9 -5.090 5.209 -1.009 64 1HD LYS 9 2HD LYS 9 -3.988 6.211 1.253 65 2HD LYS 9 1HD LYS 9 -2.710 6.554 0.084 66 1HE LYS 9 2HE LYS 9 -4.083 7.923 -1.200 67 2HE LYS 9 1HE LYS 9 -5.561 7.233 -0.530 68 1HZ LYS 9 1HZ LYS 9 -5.495 8.590 1.248 69 2HZ LYS 9 2HZ LYS 9 -4.570 9.572 0.228 70 3HZ LYS 9 3HZ LYS 9 -3.807 8.573 1.360 71 H TYR 10 H TYR 10 -5.810 0.364 -0.626 72 HA TYR 10 HA TYR 10 -5.254 -0.680 2.012 73 1HB TYR 10 2HB TYR 10 -7.369 0.732 2.208 74 2HB TYR 10 1HB TYR 10 -8.144 -0.459 1.169 75 HD1 TYR 10 1HD TYR 10 -7.621 0.473 4.481 76 HD2 TYR 10 2HD TYR 10 -7.771 -2.982 2.004 77 HE1 TYR 10 1HE TYR 10 -8.111 -0.913 6.452 78 HE2 TYR 10 2HE TYR 10 -8.262 -4.377 3.968 79 HH TYR 10 HH TYR 10 -9.331 -3.239 6.810 80 H CYS 11 H CYS 11 -4.884 -2.806 1.855 81 HA CYS 11 HA CYS 11 -5.456 -4.123 -0.663 82 1HB CYS 11 2HB CYS 11 -3.264 -4.361 0.597 83 2HB CYS 11 1HB CYS 11 -4.134 -5.366 1.748 84 H SER 12 H SER 12 -7.099 -5.411 -1.056 85 HA SER 12 HA SER 12 -8.984 -6.039 1.053 86 1HB SER 12 2HB SER 12 -10.336 -6.972 -0.883 87 2HB SER 12 1HB SER 12 -9.979 -5.246 -0.959 88 HG SER 12 HG SER 12 -9.359 -5.852 -2.908 89 H THR 13 H THR 13 -6.279 -7.419 0.700 90 HA THR 13 HA THR 13 -7.325 -10.142 0.909 91 HB THR 13 HB THR 13 -4.795 -9.362 -0.548 92 HG1 THR 13 1HG THR 13 -6.358 -8.952 -1.964 93 1HG2 THR 13 1HG2 THR 13 -5.157 -11.835 -1.354 94 2HG2 THR 13 2HG2 THR 13 -5.941 -11.989 0.218 95 3HG2 THR 13 3HG2 THR 13 -4.259 -11.469 0.118 96 H CYS 14 H CYS 14 -4.824 -7.811 1.726 97 HA CYS 14 HA CYS 14 -3.815 -9.626 3.803 98 1HB CYS 14 2HB CYS 14 -2.659 -7.004 2.838 99 2HB CYS 14 1HB CYS 14 -1.907 -8.115 3.977 100 H ASP 15 H ASP 15 -6.149 -7.347 3.543 101 HA ASP 15 HA ASP 15 -7.243 -5.966 4.972 102 1HB ASP 15 2HB ASP 15 -5.977 -7.829 6.988 103 2HB ASP 15 1HB ASP 15 -7.277 -6.698 7.343 104 H ILE 16 H ILE 16 -4.774 -5.016 4.087 105 HA ILE 16 HA ILE 16 -3.761 -3.563 6.444 106 HB ILE 16 HB ILE 16 -2.272 -3.799 3.843 107 1HG1 ILE 16 2HG1 ILE 16 -2.742 -6.082 4.656 108 2HG1 ILE 16 1HG1 ILE 16 -1.032 -5.687 4.769 109 1HG2 ILE 16 1HG2 ILE 16 -1.627 -2.963 6.638 110 2HG2 ILE 16 2HG2 ILE 16 -1.298 -2.135 5.115 111 3HG2 ILE 16 3HG2 ILE 16 -0.352 -3.553 5.572 112 1HD1 ILE 16 1HD1 ILE 16 -1.181 -5.384 7.122 113 2HD1 ILE 16 2HD1 ILE 16 -1.960 -6.915 6.725 114 3HD1 ILE 16 3HD1 ILE 16 -2.940 -5.493 7.080 115 H SER 17 H SER 17 -3.027 -1.330 6.006 116 HA SER 17 HA SER 17 -4.534 -0.055 3.827 117 1HB SER 17 2HB SER 17 -4.659 1.878 5.705 118 2HB SER 17 1HB SER 17 -5.918 0.662 5.493 119 HG SER 17 HG SER 17 -5.275 -0.344 7.274 120 H PHE 18 H PHE 18 -3.752 2.143 3.314 121 HA PHE 18 HA PHE 18 -0.989 2.668 4.079 122 1HB PHE 18 2HB PHE 18 -1.996 2.355 1.248 123 2HB PHE 18 1HB PHE 18 -0.451 3.087 1.656 124 HD1 PHE 18 1HD PHE 18 1.269 1.675 2.851 125 HD2 PHE 18 2HD PHE 18 -2.252 0.044 1.106 126 HE1 PHE 18 1HE PHE 18 2.299 -0.560 2.870 127 HE2 PHE 18 2HE PHE 18 -1.231 -2.194 1.123 128 HZ PHE 18 HZ PHE 18 1.047 -2.498 2.005 129 H ASN 19 H ASN 19 -0.506 4.810 4.198 130 HA ASN 19 HA ASN 19 -2.727 6.663 3.875 131 1HB ASN 19 2HB ASN 19 -0.895 6.446 5.842 132 2HB ASN 19 1HB ASN 19 -0.100 7.649 4.831 133 1HD2 ASN 19 1HD2 ASN 19 -3.442 6.986 5.834 134 2HD2 ASN 19 2HD2 ASN 19 -3.779 8.595 6.366 135 H TYR 20 H TYR 20 -0.822 5.491 1.688 136 HA TYR 20 HA TYR 20 -0.780 7.907 0.115 137 1HB TYR 20 2HB TYR 20 1.734 6.560 1.049 138 2HB TYR 20 1HB TYR 20 1.695 7.375 -0.511 139 HD1 TYR 20 1HD TYR 20 0.218 9.775 -0.115 140 HD2 TYR 20 2HD TYR 20 2.874 7.840 2.588 141 HE1 TYR 20 1HE TYR 20 0.645 11.927 0.997 142 HE2 TYR 20 2HE TYR 20 3.308 9.987 3.707 143 HH TYR 20 HH TYR 20 2.384 12.972 2.383 144 H VAL 21 H VAL 21 -1.384 7.400 -1.890 145 HA VAL 21 HA VAL 21 -2.025 4.838 -2.724 146 HB VAL 21 HB VAL 21 -1.205 6.990 -4.665 147 1HG1 VAL 21 1HG1 VAL 21 -3.481 5.039 -4.868 148 2HG1 VAL 21 2HG1 VAL 21 -1.848 4.640 -5.401 149 3HG1 VAL 21 3HG1 VAL 21 -2.718 5.978 -6.152 150 1HG2 VAL 21 1HG2 VAL 21 -3.534 6.903 -2.817 151 2HG2 VAL 21 2HG2 VAL 21 -3.786 7.508 -4.455 152 3HG2 VAL 21 3HG2 VAL 21 -2.605 8.284 -3.399 153 H LYS 22 H LYS 22 1.017 6.510 -2.825 154 HA LYS 22 HA LYS 22 2.327 4.886 -4.734 155 1HB LYS 22 2HB LYS 22 3.190 7.082 -4.039 156 2HB LYS 22 1HB LYS 22 3.490 6.455 -2.424 157 1HG LYS 22 2HG LYS 22 4.745 5.035 -4.703 158 2HG LYS 22 1HG LYS 22 5.391 6.615 -4.255 159 1HD LYS 22 2HD LYS 22 5.201 5.481 -1.821 160 2HD LYS 22 1HD LYS 22 5.481 4.044 -2.806 161 1HE LYS 22 2HE LYS 22 7.648 4.588 -2.486 162 2HE LYS 22 1HE LYS 22 7.347 5.681 -3.836 163 1HZ LYS 22 1HZ LYS 22 7.358 6.343 -0.947 164 2HZ LYS 22 2HZ LYS 22 6.777 7.399 -2.133 165 3HZ LYS 22 3HZ LYS 22 8.401 6.927 -2.145 166 H THR 23 H THR 23 1.969 4.689 -1.228 167 HA THR 23 HA THR 23 3.703 2.475 -0.886 168 HB THR 23 HB THR 23 1.420 2.866 0.984 169 HG1 THR 23 1HG THR 23 3.470 4.772 0.558 170 1HG2 THR 23 1HG2 THR 23 4.381 2.660 1.471 171 2HG2 THR 23 2HG2 THR 23 3.242 1.316 1.533 172 3HG2 THR 23 3HG2 THR 23 3.105 2.642 2.688 173 H TYR 24 H TYR 24 0.238 2.787 -1.439 174 HA TYR 24 HA TYR 24 -0.408 0.063 -1.100 175 1HB TYR 24 2HB TYR 24 -2.044 1.972 -1.188 176 2HB TYR 24 1HB TYR 24 -1.793 2.032 -2.929 177 HD1 TYR 24 1HD TYR 24 -3.829 1.366 -3.849 178 HD2 TYR 24 2HD TYR 24 -2.134 -0.928 -0.692 179 HE1 TYR 24 1HE TYR 24 -5.571 -0.341 -4.162 180 HE2 TYR 24 2HE TYR 24 -3.870 -2.642 -0.997 181 HH TYR 24 HH TYR 24 -6.648 -2.124 -2.907 182 H LEU 25 H LEU 25 0.945 1.891 -3.728 183 HA LEU 25 HA LEU 25 0.566 -0.148 -5.717 184 1HB LEU 25 2HB LEU 25 2.093 2.426 -5.573 185 2HB LEU 25 1HB LEU 25 2.419 1.295 -6.874 186 HG LEU 25 HG LEU 25 -0.315 2.428 -6.290 187 1HD1 LEU 25 1HD1 LEU 25 1.315 3.274 -8.629 188 2HD1 LEU 25 2HD1 LEU 25 1.637 4.011 -7.060 189 3HD1 LEU 25 3HD1 LEU 25 0.031 4.130 -7.776 190 1HD2 LEU 25 1HD2 LEU 25 -0.786 0.591 -7.542 191 2HD2 LEU 25 2HD2 LEU 25 0.813 0.548 -8.284 192 3HD2 LEU 25 3HD2 LEU 25 -0.391 1.706 -8.850 193 H ALA 26 H ALA 26 3.192 0.959 -3.645 194 HA ALA 26 HA ALA 26 5.180 -0.767 -4.614 195 1HB ALA 26 1HB ALA 26 5.323 1.302 -3.025 196 2HB ALA 26 2HB ALA 26 6.498 -0.007 -2.887 197 3HB ALA 26 3HB ALA 26 5.147 0.089 -1.758 198 H HIS 27 H HIS 27 2.598 -1.207 -2.277 199 HA HIS 27 HA HIS 27 3.610 -3.594 -1.120 200 1HB HIS 27 2HB HIS 27 1.948 -2.411 0.109 201 2HB HIS 27 1HB HIS 27 0.833 -2.416 -1.255 202 HD1 HIS 27 1HD HIS 27 2.309 -4.792 1.313 203 HD2 HIS 27 2HD HIS 27 -0.815 -4.570 -1.413 204 HE1 HIS 27 1HE HIS 27 0.876 -6.838 1.705 205 H LYS 28 H LYS 28 1.399 -2.955 -3.809 206 HA LYS 28 HA LYS 28 0.854 -5.716 -4.304 207 1HB LYS 28 2HB LYS 28 -0.454 -3.521 -5.002 208 2HB LYS 28 1HB LYS 28 0.544 -3.656 -6.442 209 1HG LYS 28 2HG LYS 28 -0.359 -6.179 -6.277 210 2HG LYS 28 1HG LYS 28 -1.709 -5.320 -5.531 211 1HD LYS 28 2HD LYS 28 -2.358 -5.193 -7.713 212 2HD LYS 28 1HD LYS 28 -1.368 -3.734 -7.631 213 1HE LYS 28 2HE LYS 28 0.336 -4.657 -8.854 214 2HE LYS 28 1HE LYS 28 -0.047 -6.302 -8.347 215 1HZ LYS 28 1HZ LYS 28 -0.695 -6.237 -10.556 216 2HZ LYS 28 2HZ LYS 28 -1.332 -4.674 -10.445 217 3HZ LYS 28 3HZ LYS 28 -2.153 -5.973 -9.738 218 H GLN 29 H GLN 29 3.180 -3.379 -5.492 219 HA GLN 29 HA GLN 29 4.168 -5.166 -7.543 220 1HB GLN 29 2HB GLN 29 4.137 -2.456 -7.310 221 2HB GLN 29 1HB GLN 29 5.787 -2.813 -6.822 222 1HG GLN 29 2HG GLN 29 4.698 -4.036 -9.311 223 2HG GLN 29 1HG GLN 29 5.213 -2.350 -9.319 224 1HE2 GLN 29 1HE2 GLN 29 7.414 -1.895 -8.680 225 2HE2 GLN 29 2HE2 GLN 29 8.647 -3.067 -8.981 226 H PHE 30 H PHE 30 4.715 -4.751 -4.222 227 HA PHE 30 HA PHE 30 7.358 -6.034 -4.446 228 1HB PHE 30 2HB PHE 30 7.262 -3.764 -3.338 229 2HB PHE 30 1HB PHE 30 6.320 -4.513 -2.054 230 HD1 PHE 30 1HD PHE 30 9.363 -5.577 -3.932 231 HD2 PHE 30 2HD PHE 30 7.595 -4.707 -0.160 232 HE1 PHE 30 1HE PHE 30 11.444 -6.252 -2.806 233 HE2 PHE 30 2HE PHE 30 9.674 -5.378 0.973 234 HZ PHE 30 HZ PHE 30 11.602 -6.151 -0.351 235 H TYR 31 H TYR 31 4.435 -5.938 -2.407 236 HA TYR 31 HA TYR 31 5.103 -8.367 -1.053 237 1HB TYR 31 2HB TYR 31 3.466 -6.319 -0.441 238 2HB TYR 31 1HB TYR 31 2.283 -7.450 -1.088 239 HD1 TYR 31 1HD TYR 31 4.426 -6.638 1.704 240 HD2 TYR 31 2HD TYR 31 2.043 -9.708 -0.029 241 HE1 TYR 31 1HE TYR 31 4.388 -7.819 3.860 242 HE2 TYR 31 2HE TYR 31 1.999 -10.897 2.122 243 HH TYR 31 HH TYR 31 3.967 -10.618 4.419 244 H HIS 32 H HIS 32 2.755 -7.509 -3.584 245 HA HIS 32 HA HIS 32 2.145 -10.341 -3.964 246 1HB HIS 32 2HB HIS 32 0.899 -7.854 -5.151 247 2HB HIS 32 1HB HIS 32 0.375 -9.497 -5.504 248 HD1 HIS 32 1HD HIS 32 -1.259 -10.549 -3.865 249 HD2 HIS 32 2HD HIS 32 0.468 -7.052 -2.431 250 HE1 HIS 32 1HE HIS 32 -2.484 -9.974 -1.724 251 H LYS 33 H LYS 33 4.689 -8.867 -4.814 252 HA LYS 33 HA LYS 33 6.100 -8.728 -6.605 253 1HB LYS 33 2HB LYS 33 5.500 -11.300 -6.126 254 2HB LYS 33 1HB LYS 33 4.931 -11.186 -7.785 255 1HG LYS 33 2HG LYS 33 7.287 -10.085 -8.170 256 2HG LYS 33 1HG LYS 33 7.692 -10.984 -6.705 257 1HD LYS 33 2HD LYS 33 6.441 -12.923 -8.047 258 2HD LYS 33 1HD LYS 33 7.009 -11.967 -9.419 259 1HE LYS 33 2HE LYS 33 8.877 -13.204 -9.175 260 2HE LYS 33 1HE LYS 33 9.246 -12.030 -7.913 261 1HZ LYS 33 1HZ LYS 33 7.750 -14.514 -7.334 262 2HZ LYS 33 2HZ LYS 33 8.567 -13.503 -6.253 263 3HZ LYS 33 3HZ LYS 33 9.441 -14.475 -7.324 264 H ASN 34 H ASN 34 3.882 -7.153 -7.044 265 HA ASN 34 HA ASN 34 2.718 -6.059 -8.666 266 1HB ASN 34 2HB ASN 34 5.093 -5.976 -9.572 267 2HB ASN 34 1HB ASN 34 4.642 -7.315 -10.623 268 1HD2 ASN 34 1HD2 ASN 34 4.846 -6.212 -12.519 269 2HD2 ASN 34 2HD2 ASN 34 3.797 -4.920 -12.986 270 H LYS 35 H LYS 35 1.897 -8.774 -7.963 271 HA LYS 35 HA LYS 35 -0.113 -9.144 -9.900 272 1HB LYS 35 2HB LYS 35 1.777 -10.036 -11.221 273 2HB LYS 35 1HB LYS 35 2.084 -11.219 -9.958 274 1HG LYS 35 2HG LYS 35 -0.660 -11.182 -11.020 275 2HG LYS 35 1HG LYS 35 0.596 -11.699 -12.147 276 1HD LYS 35 2HD LYS 35 1.334 -13.113 -9.995 277 2HD LYS 35 1HD LYS 35 -0.398 -12.994 -9.678 278 1HE LYS 35 2HE LYS 35 0.271 -15.021 -10.967 279 2HE LYS 35 1HE LYS 35 -0.923 -14.008 -11.778 280 1HZ LYS 35 1HZ LYS 35 0.593 -13.310 -13.334 281 2HZ LYS 35 2HZ LYS 35 1.118 -14.897 -13.078 282 3HZ LYS 35 3HZ LYS 35 1.934 -13.610 -12.347 283 HA PRO 36 HA PRO 36 -0.990 -10.983 -5.782 284 1HB PRO 36 2HB PRO 36 -3.580 -10.190 -5.703 285 2HB PRO 36 1HB PRO 36 -2.244 -9.131 -5.240 286 1HG PRO 36 2HG PRO 36 -3.759 -9.250 -7.820 287 2HG PRO 36 1HG PRO 36 -3.246 -7.831 -6.889 288 1HD PRO 36 2HD PRO 36 -1.901 -8.710 -9.071 289 2HD PRO 36 1HD PRO 36 -1.093 -7.918 -7.704 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 -18.808 -7.737 5.108 2 2H GLY 1 2HT GLY 1 -18.916 -7.657 6.794 3 3H GLY 1 3HT GLY 1 -19.430 -9.047 5.980 4 1HA GLY 1 1HA GLY 1 -17.135 -9.032 7.145 5 2HA GLY 1 2HA GLY 1 -17.326 -9.802 5.577 6 H SER 2 H SER 2 -17.359 -6.330 6.022 7 HA SER 2 HA SER 2 -16.000 -4.676 5.255 8 1HB SER 2 2HB SER 2 -13.651 -6.543 5.359 9 2HB SER 2 1HB SER 2 -13.725 -4.825 5.750 10 HG SER 2 HG SER 2 -14.056 -5.400 7.731 11 H ALA 3 H ALA 3 -17.296 -6.346 3.346 12 HA ALA 3 HA ALA 3 -15.423 -6.051 1.094 13 1HB ALA 3 1HB ALA 3 -16.293 -8.066 0.067 14 2HB ALA 3 2HB ALA 3 -17.399 -8.306 1.419 15 3HB ALA 3 3HB ALA 3 -15.659 -8.432 1.671 16 H ALA 4 H ALA 4 -16.521 -3.952 0.936 17 HA ALA 4 HA ALA 4 -19.179 -4.173 -0.317 18 1HB ALA 4 1HB ALA 4 -19.379 -1.720 0.274 19 2HB ALA 4 2HB ALA 4 -17.937 -1.938 1.266 20 3HB ALA 4 3HB ALA 4 -19.402 -2.852 1.627 21 H GLU 5 H GLU 5 -16.689 -1.640 -0.358 22 HA GLU 5 HA GLU 5 -15.542 -1.952 -2.797 23 1HB GLU 5 2HB GLU 5 -18.340 -1.134 -3.083 24 2HB GLU 5 1HB GLU 5 -17.221 -0.062 -3.912 25 1HG GLU 5 2HG GLU 5 -16.860 -2.977 -4.294 26 2HG GLU 5 1HG GLU 5 -18.252 -2.213 -5.062 27 H VAL 6 H VAL 6 -14.346 -0.940 -0.861 28 HA VAL 6 HA VAL 6 -14.359 1.988 -1.205 29 HB VAL 6 HB VAL 6 -13.594 0.537 1.329 30 1HG1 VAL 6 1HG1 VAL 6 -12.460 2.604 1.232 31 2HG1 VAL 6 2HG1 VAL 6 -13.860 2.875 2.269 32 3HG1 VAL 6 3HG1 VAL 6 -13.878 3.439 0.598 33 1HG2 VAL 6 1HG2 VAL 6 -15.852 0.200 1.384 34 2HG2 VAL 6 2HG2 VAL 6 -16.200 1.608 0.381 35 3HG2 VAL 6 3HG2 VAL 6 -15.779 1.818 2.081 36 H MET 7 H MET 7 -12.812 1.394 -2.950 37 HA MET 7 HA MET 7 -10.225 0.406 -2.148 38 1HB MET 7 2HB MET 7 -11.530 0.258 -4.479 39 2HB MET 7 1HB MET 7 -10.604 1.720 -4.786 40 1HG MET 7 2HG MET 7 -8.542 0.567 -4.448 41 2HG MET 7 1HG MET 7 -9.384 -0.878 -3.890 42 1HE MET 7 1HE MET 7 -9.062 -2.620 -4.987 43 2HE MET 7 2HE MET 7 -8.821 -2.891 -6.713 44 3HE MET 7 3HE MET 7 -10.455 -2.819 -6.052 45 H LYS 8 H LYS 8 -8.658 1.608 -1.319 46 HA LYS 8 HA LYS 8 -7.816 4.079 -2.307 47 1HB LYS 8 2HB LYS 8 -9.697 5.186 -1.454 48 2HB LYS 8 1HB LYS 8 -9.734 4.204 0.003 49 1HG LYS 8 2HG LYS 8 -8.320 5.554 1.104 50 2HG LYS 8 1HG LYS 8 -7.310 5.826 -0.317 51 1HD LYS 8 2HD LYS 8 -8.389 7.892 0.420 52 2HD LYS 8 1HD LYS 8 -8.947 7.415 -1.186 53 1HE LYS 8 2HE LYS 8 -10.492 6.489 1.182 54 2HE LYS 8 1HE LYS 8 -10.633 8.180 0.702 55 1HZ LYS 8 1HZ LYS 8 -11.659 5.810 -0.584 56 2HZ LYS 8 2HZ LYS 8 -10.917 6.898 -1.645 57 3HZ LYS 8 3HZ LYS 8 -12.201 7.410 -0.671 58 H LYS 9 H LYS 9 -5.879 2.862 -2.068 59 HA LYS 9 HA LYS 9 -3.959 2.200 -1.037 60 1HB LYS 9 2HB LYS 9 -4.698 4.111 1.169 61 2HB LYS 9 1HB LYS 9 -3.095 3.665 0.610 62 1HG LYS 9 2HG LYS 9 -3.078 5.250 -0.951 63 2HG LYS 9 1HG LYS 9 -4.718 4.872 -1.480 64 1HD LYS 9 2HD LYS 9 -5.357 6.034 0.798 65 2HD LYS 9 1HD LYS 9 -3.780 6.798 0.590 66 1HE LYS 9 2HE LYS 9 -4.413 7.838 -1.402 67 2HE LYS 9 1HE LYS 9 -5.787 6.758 -1.636 68 1HZ LYS 9 1HZ LYS 9 -5.588 9.184 -0.071 69 2HZ LYS 9 2HZ LYS 9 -6.414 7.919 0.690 70 3HZ LYS 9 3HZ LYS 9 -6.935 8.484 -0.817 71 H TYR 10 H TYR 10 -5.897 0.401 -0.621 72 HA TYR 10 HA TYR 10 -5.195 -0.672 1.983 73 1HB TYR 10 2HB TYR 10 -7.325 0.733 2.229 74 2HB TYR 10 1HB TYR 10 -8.115 -0.502 1.254 75 HD1 TYR 10 1HD TYR 10 -7.319 0.501 4.531 76 HD2 TYR 10 2HD TYR 10 -7.805 -2.970 2.118 77 HE1 TYR 10 1HE TYR 10 -7.695 -0.847 6.553 78 HE2 TYR 10 2HE TYR 10 -8.183 -4.326 4.133 79 HH TYR 10 HH TYR 10 -8.944 -3.096 7.062 80 H CYS 11 H CYS 11 -4.860 -2.803 1.842 81 HA CYS 11 HA CYS 11 -5.450 -4.119 -0.669 82 1HB CYS 11 2HB CYS 11 -3.255 -4.355 0.585 83 2HB CYS 11 1HB CYS 11 -4.124 -5.362 1.738 84 H SER 12 H SER 12 -7.098 -5.404 -1.054 85 HA SER 12 HA SER 12 -8.973 -6.032 1.064 86 1HB SER 12 2HB SER 12 -9.403 -5.277 -1.469 87 2HB SER 12 1HB SER 12 -9.419 -7.025 -1.701 88 HG SER 12 HG SER 12 -10.943 -5.752 0.312 89 H THR 13 H THR 13 -6.268 -7.410 0.695 90 HA THR 13 HA THR 13 -7.310 -10.134 0.905 91 HB THR 13 HB THR 13 -4.790 -9.347 -0.563 92 HG1 THR 13 1HG THR 13 -7.196 -10.446 -1.580 93 1HG2 THR 13 1HG2 THR 13 -4.921 -11.750 -1.353 94 2HG2 THR 13 2HG2 THR 13 -6.018 -12.021 0.002 95 3HG2 THR 13 3HG2 THR 13 -4.366 -11.479 0.300 96 H CYS 14 H CYS 14 -4.811 -7.799 1.714 97 HA CYS 14 HA CYS 14 -3.774 -9.615 3.773 98 1HB CYS 14 2HB CYS 14 -2.667 -6.972 2.808 99 2HB CYS 14 1HB CYS 14 -1.894 -8.056 3.959 100 H ASP 15 H ASP 15 -6.086 -7.265 3.508 101 HA ASP 15 HA ASP 15 -7.212 -5.954 4.982 102 1HB ASP 15 2HB ASP 15 -6.552 -8.339 6.318 103 2HB ASP 15 1HB ASP 15 -6.230 -7.046 7.467 104 H ILE 16 H ILE 16 -4.727 -5.012 4.094 105 HA ILE 16 HA ILE 16 -3.733 -3.544 6.448 106 HB ILE 16 HB ILE 16 -2.232 -3.800 3.855 107 1HG1 ILE 16 2HG1 ILE 16 -2.694 -6.074 4.705 108 2HG1 ILE 16 1HG1 ILE 16 -0.984 -5.668 4.813 109 1HG2 ILE 16 1HG2 ILE 16 -1.339 -2.083 5.165 110 2HG2 ILE 16 2HG2 ILE 16 -0.303 -3.470 5.501 111 3HG2 ILE 16 3HG2 ILE 16 -1.544 -2.995 6.661 112 1HD1 ILE 16 1HD1 ILE 16 -2.031 -6.869 6.786 113 2HD1 ILE 16 2HD1 ILE 16 -2.840 -5.343 7.142 114 3HD1 ILE 16 3HD1 ILE 16 -1.078 -5.428 7.138 115 H SER 17 H SER 17 -2.999 -1.311 6.004 116 HA SER 17 HA SER 17 -4.476 -0.049 3.800 117 1HB SER 17 2HB SER 17 -5.679 0.151 6.027 118 2HB SER 17 1HB SER 17 -4.328 1.141 6.574 119 HG SER 17 HG SER 17 -5.735 2.587 5.774 120 H PHE 18 H PHE 18 -3.706 2.140 3.292 121 HA PHE 18 HA PHE 18 -0.976 2.716 4.140 122 1HB PHE 18 2HB PHE 18 -1.896 2.418 1.276 123 2HB PHE 18 1HB PHE 18 -0.358 3.120 1.750 124 HD1 PHE 18 1HD PHE 18 1.207 1.629 3.164 125 HD2 PHE 18 2HD PHE 18 -2.089 0.151 0.913 126 HE1 PHE 18 1HE PHE 18 2.205 -0.622 3.184 127 HE2 PHE 18 2HE PHE 18 -1.098 -2.100 0.930 128 HZ PHE 18 HZ PHE 18 1.049 -2.490 2.066 129 H ASN 19 H ASN 19 -0.556 4.861 4.313 130 HA ASN 19 HA ASN 19 -2.791 6.676 3.950 131 1HB ASN 19 2HB ASN 19 -0.209 6.736 5.422 132 2HB ASN 19 1HB ASN 19 -0.870 8.284 4.906 133 1HD2 ASN 19 1HD2 ASN 19 -1.278 5.534 6.965 134 2HD2 ASN 19 2HD2 ASN 19 -2.552 6.186 7.932 135 H TYR 20 H TYR 20 -0.772 5.537 1.784 136 HA TYR 20 HA TYR 20 -0.851 7.943 0.183 137 1HB TYR 20 2HB TYR 20 1.721 6.653 1.058 138 2HB TYR 20 1HB TYR 20 1.620 7.561 -0.445 139 HD1 TYR 20 1HD TYR 20 1.194 9.986 -0.403 140 HD2 TYR 20 2HD TYR 20 1.706 7.763 3.188 141 HE1 TYR 20 1HE TYR 20 1.560 12.080 0.833 142 HE2 TYR 20 2HE TYR 20 2.073 9.850 4.435 143 HH TYR 20 HH TYR 20 1.394 12.915 3.131 144 H VAL 21 H VAL 21 -1.540 7.372 -1.765 145 HA VAL 21 HA VAL 21 -2.069 4.806 -2.606 146 HB VAL 21 HB VAL 21 -1.348 7.029 -4.513 147 1HG1 VAL 21 1HG1 VAL 21 -3.367 4.805 -4.774 148 2HG1 VAL 21 2HG1 VAL 21 -1.729 4.743 -5.428 149 3HG1 VAL 21 3HG1 VAL 21 -2.869 5.952 -6.020 150 1HG2 VAL 21 1HG2 VAL 21 -3.817 6.618 -2.859 151 2HG2 VAL 21 2HG2 VAL 21 -3.870 7.487 -4.393 152 3HG2 VAL 21 3HG2 VAL 21 -2.860 8.084 -3.076 153 H LYS 22 H LYS 22 0.929 6.559 -2.746 154 HA LYS 22 HA LYS 22 2.255 4.971 -4.672 155 1HB LYS 22 2HB LYS 22 3.483 6.481 -2.358 156 2HB LYS 22 1HB LYS 22 4.307 5.956 -3.820 157 1HG LYS 22 2HG LYS 22 3.246 7.553 -5.139 158 2HG LYS 22 1HG LYS 22 1.965 7.817 -3.953 159 1HD LYS 22 2HD LYS 22 3.273 9.169 -2.641 160 2HD LYS 22 1HD LYS 22 4.776 8.408 -3.168 161 1HE LYS 22 2HE LYS 22 3.116 10.009 -5.078 162 2HE LYS 22 1HE LYS 22 4.230 10.807 -3.969 163 1HZ LYS 22 1HZ LYS 22 5.306 8.571 -5.486 164 2HZ LYS 22 2HZ LYS 22 6.022 10.049 -5.081 165 3HZ LYS 22 3HZ LYS 22 4.937 9.962 -6.376 166 H THR 23 H THR 23 1.893 4.720 -1.174 167 HA THR 23 HA THR 23 3.696 2.541 -0.875 168 HB THR 23 HB THR 23 1.468 2.818 1.058 169 HG1 THR 23 1HG THR 23 2.095 4.780 1.784 170 1HG2 THR 23 1HG2 THR 23 3.137 1.494 1.913 171 2HG2 THR 23 2HG2 THR 23 3.543 3.072 2.588 172 3HG2 THR 23 3HG2 THR 23 4.422 2.458 1.187 173 H TYR 24 H TYR 24 0.223 2.816 -1.376 174 HA TYR 24 HA TYR 24 -0.400 0.086 -1.051 175 1HB TYR 24 2HB TYR 24 -2.070 1.935 -1.087 176 2HB TYR 24 1HB TYR 24 -1.801 2.101 -2.818 177 HD1 TYR 24 1HD TYR 24 -3.804 1.452 -3.813 178 HD2 TYR 24 2HD TYR 24 -2.133 -0.983 -0.752 179 HE1 TYR 24 1HE TYR 24 -5.519 -0.258 -4.246 180 HE2 TYR 24 2HE TYR 24 -3.841 -2.700 -1.177 181 HH TYR 24 HH TYR 24 -5.562 -2.968 -3.820 182 H LEU 25 H LEU 25 0.902 1.950 -3.679 183 HA LEU 25 HA LEU 25 0.518 -0.072 -5.682 184 1HB LEU 25 2HB LEU 25 1.983 2.529 -5.524 185 2HB LEU 25 1HB LEU 25 2.379 1.412 -6.817 186 HG LEU 25 HG LEU 25 -0.469 2.220 -6.352 187 1HD1 LEU 25 1HD1 LEU 25 0.224 3.880 -8.327 188 2HD1 LEU 25 2HD1 LEU 25 1.730 3.886 -7.410 189 3HD1 LEU 25 3HD1 LEU 25 0.220 4.356 -6.629 190 1HD2 LEU 25 1HD2 LEU 25 -0.833 1.449 -8.485 191 2HD2 LEU 25 2HD2 LEU 25 0.444 0.358 -7.948 192 3HD2 LEU 25 3HD2 LEU 25 0.834 1.728 -8.988 193 H ALA 26 H ALA 26 3.166 1.034 -3.633 194 HA ALA 26 HA ALA 26 5.151 -0.668 -4.645 195 1HB ALA 26 1HB ALA 26 4.797 0.941 -2.178 196 2HB ALA 26 2HB ALA 26 6.088 0.979 -3.381 197 3HB ALA 26 3HB ALA 26 6.043 -0.307 -2.174 198 H HIS 27 H HIS 27 2.568 -1.167 -2.338 199 HA HIS 27 HA HIS 27 3.615 -3.567 -1.213 200 1HB HIS 27 2HB HIS 27 1.985 -2.395 0.071 201 2HB HIS 27 1HB HIS 27 0.842 -2.375 -1.267 202 HD1 HIS 27 1HD HIS 27 2.355 -4.791 1.237 203 HD2 HIS 27 2HD HIS 27 -0.821 -4.520 -1.424 204 HE1 HIS 27 1HE HIS 27 0.918 -6.834 1.632 205 H LYS 28 H LYS 28 1.390 -2.861 -3.870 206 HA LYS 28 HA LYS 28 0.779 -5.604 -4.390 207 1HB LYS 28 2HB LYS 28 -0.429 -3.310 -5.075 208 2HB LYS 28 1HB LYS 28 0.491 -3.585 -6.549 209 1HG LYS 28 2HG LYS 28 -0.722 -5.417 -7.132 210 2HG LYS 28 1HG LYS 28 -1.068 -5.860 -5.459 211 1HD LYS 28 2HD LYS 28 -3.093 -5.114 -6.581 212 2HD LYS 28 1HD LYS 28 -2.645 -3.986 -5.300 213 1HE LYS 28 2HE LYS 28 -1.753 -2.434 -6.884 214 2HE LYS 28 1HE LYS 28 -1.922 -3.597 -8.199 215 1HZ LYS 28 1HZ LYS 28 -3.702 -1.696 -7.689 216 2HZ LYS 28 2HZ LYS 28 -4.357 -2.943 -6.754 217 3HZ LYS 28 3HZ LYS 28 -4.108 -3.170 -8.411 218 H GLN 29 H GLN 29 3.137 -3.301 -5.599 219 HA GLN 29 HA GLN 29 4.062 -5.103 -7.665 220 1HB GLN 29 2HB GLN 29 4.084 -2.391 -7.425 221 2HB GLN 29 1HB GLN 29 5.738 -2.782 -6.972 222 1HG GLN 29 2HG GLN 29 5.837 -2.412 -9.264 223 2HG GLN 29 1HG GLN 29 5.813 -4.168 -9.110 224 1HE2 GLN 29 1HE2 GLN 29 4.483 -5.184 -10.416 225 2HE2 GLN 29 2HE2 GLN 29 3.057 -4.528 -11.138 226 H PHE 30 H PHE 30 4.663 -4.710 -4.353 227 HA PHE 30 HA PHE 30 7.284 -6.030 -4.618 228 1HB PHE 30 2HB PHE 30 7.105 -3.728 -3.461 229 2HB PHE 30 1HB PHE 30 6.361 -4.611 -2.132 230 HD1 PHE 30 1HD PHE 30 9.374 -3.406 -3.417 231 HD2 PHE 30 2HD PHE 30 7.724 -6.740 -1.351 232 HE1 PHE 30 1HE PHE 30 11.607 -3.970 -2.553 233 HE2 PHE 30 2HE PHE 30 9.954 -7.309 -0.481 234 HZ PHE 30 HZ PHE 30 11.899 -5.924 -1.082 235 H TYR 31 H TYR 31 4.399 -5.897 -2.528 236 HA TYR 31 HA TYR 31 5.042 -8.352 -1.209 237 1HB TYR 31 2HB TYR 31 3.536 -6.322 -0.444 238 2HB TYR 31 1HB TYR 31 2.263 -7.252 -1.228 239 HD1 TYR 31 1HD TYR 31 4.801 -7.340 1.462 240 HD2 TYR 31 2HD TYR 31 1.335 -9.171 -0.189 241 HE1 TYR 31 1HE TYR 31 4.570 -8.715 3.488 242 HE2 TYR 31 2HE TYR 31 1.093 -10.550 1.832 243 HH TYR 31 HH TYR 31 2.416 -11.374 3.668 244 H HIS 32 H HIS 32 2.749 -7.418 -3.748 245 HA HIS 32 HA HIS 32 2.079 -10.244 -4.148 246 1HB HIS 32 2HB HIS 32 0.782 -7.732 -5.222 247 2HB HIS 32 1HB HIS 32 0.253 -9.367 -5.598 248 HD1 HIS 32 1HD HIS 32 -1.286 -10.494 -3.907 249 HD2 HIS 32 2HD HIS 32 0.395 -6.964 -2.500 250 HE1 HIS 32 1HE HIS 32 -2.465 -9.961 -1.729 251 H LYS 33 H LYS 33 4.625 -9.622 -4.913 252 HA LYS 33 HA LYS 33 4.460 -10.032 -7.796 253 1HB LYS 33 2HB LYS 33 4.837 -7.598 -7.450 254 2HB LYS 33 1HB LYS 33 6.311 -7.980 -6.570 255 1HG LYS 33 2HG LYS 33 7.435 -8.645 -8.468 256 2HG LYS 33 1HG LYS 33 5.949 -8.996 -9.351 257 1HD LYS 33 2HD LYS 33 6.152 -7.001 -10.320 258 2HD LYS 33 1HD LYS 33 5.808 -6.273 -8.751 259 1HE LYS 33 2HE LYS 33 7.954 -5.671 -8.420 260 2HE LYS 33 1HE LYS 33 8.586 -7.153 -9.133 261 1HZ LYS 33 1HZ LYS 33 8.400 -6.275 -11.280 262 2HZ LYS 33 2HZ LYS 33 9.043 -5.008 -10.362 263 3HZ LYS 33 3HZ LYS 33 7.405 -5.000 -10.782 264 H ASN 34 H ASN 34 4.924 -11.949 -5.886 265 HA ASN 34 HA ASN 34 7.337 -13.098 -6.774 266 1HB ASN 34 2HB ASN 34 8.212 -11.341 -5.169 267 2HB ASN 34 1HB ASN 34 7.437 -12.252 -3.877 268 1HD2 ASN 34 1HD2 ASN 34 8.377 -14.074 -3.121 269 2HD2 ASN 34 2HD2 ASN 34 9.903 -14.673 -3.666 270 H LYS 35 H LYS 35 4.597 -13.818 -6.493 271 HA LYS 35 HA LYS 35 4.843 -16.433 -5.518 272 1HB LYS 35 2HB LYS 35 4.850 -15.357 -3.312 273 2HB LYS 35 1HB LYS 35 3.325 -14.566 -3.686 274 1HG LYS 35 2HG LYS 35 3.357 -17.505 -3.930 275 2HG LYS 35 1HG LYS 35 3.514 -16.849 -2.299 276 1HD LYS 35 2HD LYS 35 1.494 -15.325 -3.277 277 2HD LYS 35 1HD LYS 35 1.211 -16.845 -4.128 278 1HE LYS 35 2HE LYS 35 0.073 -17.389 -2.264 279 2HE LYS 35 1HE LYS 35 1.675 -17.758 -1.628 280 1HZ LYS 35 1HZ LYS 35 1.753 -15.465 -0.754 281 2HZ LYS 35 2HZ LYS 35 0.512 -16.389 -0.071 282 3HZ LYS 35 3HZ LYS 35 0.153 -15.237 -1.256 283 HA PRO 36 HA PRO 36 1.319 -15.687 -8.378 284 1HB PRO 36 2HB PRO 36 1.689 -17.965 -9.806 285 2HB PRO 36 1HB PRO 36 2.578 -16.473 -10.134 286 1HG PRO 36 2HG PRO 36 3.441 -18.894 -8.597 287 2HG PRO 36 1HG PRO 36 4.351 -17.936 -9.779 288 1HD PRO 36 2HD PRO 36 4.686 -17.651 -7.109 289 2HD PRO 36 1HD PRO 36 4.867 -16.297 -8.242 Start of MODEL 11 1 1H GLY 1 1HT GLY 1 -21.538 -11.453 -2.393 2 2H GLY 1 2HT GLY 1 -23.153 -11.296 -1.917 3 3H GLY 1 3HT GLY 1 -21.995 -10.204 -1.346 4 1HA GLY 1 1HA GLY 1 -22.603 -10.491 -4.227 5 2HA GLY 1 2HA GLY 1 -23.498 -9.389 -3.193 6 H SER 2 H SER 2 -22.388 -7.614 -2.230 7 HA SER 2 HA SER 2 -19.672 -7.069 -3.101 8 1HB SER 2 2HB SER 2 -20.776 -6.178 -5.002 9 2HB SER 2 1HB SER 2 -22.051 -5.459 -4.020 10 HG SER 2 HG SER 2 -20.862 -3.745 -3.898 11 H ALA 3 H ALA 3 -19.297 -7.178 -0.833 12 HA ALA 3 HA ALA 3 -20.111 -4.726 0.578 13 1HB ALA 3 1HB ALA 3 -20.684 -5.835 2.500 14 2HB ALA 3 2HB ALA 3 -19.663 -7.226 2.133 15 3HB ALA 3 3HB ALA 3 -21.197 -7.011 1.290 16 H ALA 4 H ALA 4 -17.696 -5.320 -0.940 17 HA ALA 4 HA ALA 4 -15.777 -4.439 0.990 18 1HB ALA 4 1HB ALA 4 -15.513 -6.696 1.584 19 2HB ALA 4 2HB ALA 4 -14.177 -6.356 0.484 20 3HB ALA 4 3HB ALA 4 -15.593 -7.234 -0.093 21 H GLU 5 H GLU 5 -14.371 -3.132 0.015 22 HA GLU 5 HA GLU 5 -12.931 -3.448 -2.262 23 1HB GLU 5 2HB GLU 5 -15.723 -2.831 -2.898 24 2HB GLU 5 1HB GLU 5 -14.586 -1.712 -3.636 25 1HG GLU 5 2HG GLU 5 -13.833 -4.525 -3.889 26 2HG GLU 5 1HG GLU 5 -15.346 -4.099 -4.687 27 H VAL 6 H VAL 6 -12.033 -2.295 -0.247 28 HA VAL 6 HA VAL 6 -12.586 0.391 0.293 29 HB VAL 6 HB VAL 6 -9.876 -0.912 0.546 30 1HG1 VAL 6 1HG1 VAL 6 -9.724 1.423 0.936 31 2HG1 VAL 6 2HG1 VAL 6 -9.735 0.647 2.520 32 3HG1 VAL 6 3HG1 VAL 6 -11.195 1.425 1.909 33 1HG2 VAL 6 1HG2 VAL 6 -12.387 -1.338 2.042 34 2HG2 VAL 6 2HG2 VAL 6 -10.922 -1.151 3.005 35 3HG2 VAL 6 3HG2 VAL 6 -11.019 -2.421 1.785 36 H MET 7 H MET 7 -9.858 -0.915 -1.611 37 HA MET 7 HA MET 7 -8.689 -0.064 -3.373 38 1HB MET 7 2HB MET 7 -11.290 0.464 -3.970 39 2HB MET 7 1HB MET 7 -10.610 2.085 -3.996 40 1HG MET 7 2HG MET 7 -10.128 1.608 -6.121 41 2HG MET 7 1HG MET 7 -8.762 0.729 -5.438 42 1HE MET 7 1HE MET 7 -10.312 -2.919 -5.252 43 2HE MET 7 2HE MET 7 -10.501 -1.673 -4.018 44 3HE MET 7 3HE MET 7 -8.938 -1.909 -4.803 45 H LYS 8 H LYS 8 -7.980 2.198 -4.334 46 HA LYS 8 HA LYS 8 -6.972 4.227 -4.042 47 1HB LYS 8 2HB LYS 8 -8.964 4.852 -2.665 48 2HB LYS 8 1HB LYS 8 -8.119 4.251 -1.246 49 1HG LYS 8 2HG LYS 8 -6.405 5.917 -1.489 50 2HG LYS 8 1HG LYS 8 -7.110 6.468 -3.010 51 1HD LYS 8 2HD LYS 8 -8.963 6.447 -0.733 52 2HD LYS 8 1HD LYS 8 -7.615 7.575 -0.577 53 1HE LYS 8 2HE LYS 8 -8.204 8.695 -2.578 54 2HE LYS 8 1HE LYS 8 -9.336 7.425 -3.040 55 1HZ LYS 8 1HZ LYS 8 -10.892 8.137 -1.523 56 2HZ LYS 8 2HZ LYS 8 -10.221 9.608 -2.017 57 3HZ LYS 8 3HZ LYS 8 -9.759 8.923 -0.542 58 H LYS 9 H LYS 9 -6.834 2.796 -0.775 59 HA LYS 9 HA LYS 9 -4.055 2.094 -1.120 60 1HB LYS 9 2HB LYS 9 -3.432 3.495 0.941 61 2HB LYS 9 1HB LYS 9 -3.591 4.327 -0.596 62 1HG LYS 9 2HG LYS 9 -6.022 4.774 0.181 63 2HG LYS 9 1HG LYS 9 -5.392 4.393 1.785 64 1HD LYS 9 2HD LYS 9 -3.504 6.099 1.032 65 2HD LYS 9 1HD LYS 9 -4.808 6.700 0.005 66 1HE LYS 9 2HE LYS 9 -6.110 6.442 2.358 67 2HE LYS 9 1HE LYS 9 -4.486 6.819 2.931 68 1HZ LYS 9 1HZ LYS 9 -5.621 8.857 2.667 69 2HZ LYS 9 2HZ LYS 9 -6.188 8.444 1.128 70 3HZ LYS 9 3HZ LYS 9 -4.542 8.755 1.368 71 H TYR 10 H TYR 10 -5.867 0.288 -0.692 72 HA TYR 10 HA TYR 10 -5.278 -0.692 1.963 73 1HB TYR 10 2HB TYR 10 -7.295 0.588 2.424 74 2HB TYR 10 1HB TYR 10 -8.130 -0.188 1.084 75 HD1 TYR 10 1HD TYR 10 -7.439 -0.313 4.569 76 HD2 TYR 10 2HD TYR 10 -8.445 -2.747 1.230 77 HE1 TYR 10 1HE TYR 10 -8.244 -2.063 6.096 78 HE2 TYR 10 2HE TYR 10 -9.255 -4.504 2.747 79 HH TYR 10 HH TYR 10 -9.013 -5.233 5.017 80 H CYS 11 H CYS 11 -4.887 -2.818 1.833 81 HA CYS 11 HA CYS 11 -5.471 -4.178 -0.657 82 1HB CYS 11 2HB CYS 11 -3.267 -4.362 0.606 83 2HB CYS 11 1HB CYS 11 -4.123 -5.386 1.754 84 H SER 12 H SER 12 -7.110 -5.477 -1.018 85 HA SER 12 HA SER 12 -8.961 -6.109 1.120 86 1HB SER 12 2HB SER 12 -10.160 -7.225 -0.964 87 2HB SER 12 1HB SER 12 -10.184 -5.478 -0.726 88 HG SER 12 HG SER 12 -9.539 -5.764 -2.796 89 H THR 13 H THR 13 -6.243 -7.463 0.733 90 HA THR 13 HA THR 13 -7.254 -10.194 0.986 91 HB THR 13 HB THR 13 -4.761 -9.400 -0.524 92 HG1 THR 13 1HG THR 13 -6.707 -8.998 -1.669 93 1HG2 THR 13 1HG2 THR 13 -5.041 -11.736 0.735 94 2HG2 THR 13 2HG2 THR 13 -4.213 -11.562 -0.812 95 3HG2 THR 13 3HG2 THR 13 -5.888 -12.111 -0.765 96 H CYS 14 H CYS 14 -4.769 -7.826 1.735 97 HA CYS 14 HA CYS 14 -3.673 -9.605 3.793 98 1HB CYS 14 2HB CYS 14 -2.645 -6.944 2.787 99 2HB CYS 14 1HB CYS 14 -1.836 -7.981 3.956 100 H ASP 15 H ASP 15 -6.015 -7.261 3.527 101 HA ASP 15 HA ASP 15 -7.164 -5.985 5.012 102 1HB ASP 15 2HB ASP 15 -6.454 -8.354 6.345 103 2HB ASP 15 1HB ASP 15 -6.137 -7.057 7.489 104 H ILE 16 H ILE 16 -4.708 -4.994 4.104 105 HA ILE 16 HA ILE 16 -3.745 -3.485 6.446 106 HB ILE 16 HB ILE 16 -2.205 -3.765 3.879 107 1HG1 ILE 16 2HG1 ILE 16 -2.648 -6.032 4.749 108 2HG1 ILE 16 1HG1 ILE 16 -0.946 -5.602 4.888 109 1HG2 ILE 16 1HG2 ILE 16 -1.559 -2.923 6.686 110 2HG2 ILE 16 2HG2 ILE 16 -1.361 -2.015 5.187 111 3HG2 ILE 16 3HG2 ILE 16 -0.302 -3.382 5.536 112 1HD1 ILE 16 1HD1 ILE 16 -2.046 -6.791 6.854 113 2HD1 ILE 16 2HD1 ILE 16 -2.840 -5.250 7.179 114 3HD1 ILE 16 3HD1 ILE 16 -1.080 -5.357 7.201 115 H SER 17 H SER 17 -3.037 -1.256 5.981 116 HA SER 17 HA SER 17 -4.496 -0.039 3.739 117 1HB SER 17 2HB SER 17 -4.658 1.902 5.665 118 2HB SER 17 1HB SER 17 -5.948 0.762 5.283 119 HG SER 17 HG SER 17 -3.947 0.389 7.262 120 H PHE 18 H PHE 18 -3.719 2.145 3.193 121 HA PHE 18 HA PHE 18 -0.980 2.692 4.053 122 1HB PHE 18 2HB PHE 18 -1.929 2.445 1.194 123 2HB PHE 18 1HB PHE 18 -0.386 3.143 1.659 124 HD1 PHE 18 1HD PHE 18 1.293 1.690 2.844 125 HD2 PHE 18 2HD PHE 18 -2.222 0.133 1.020 126 HE1 PHE 18 1HE PHE 18 2.293 -0.559 2.845 127 HE2 PHE 18 2HE PHE 18 -1.230 -2.118 1.018 128 HZ PHE 18 HZ PHE 18 1.029 -2.467 1.932 129 H ASN 19 H ASN 19 -0.525 4.811 4.281 130 HA ASN 19 HA ASN 19 -2.719 6.683 4.001 131 1HB ASN 19 2HB ASN 19 -0.045 6.727 5.342 132 2HB ASN 19 1HB ASN 19 -0.843 8.255 4.983 133 1HD2 ASN 19 1HD2 ASN 19 -3.199 8.309 5.668 134 2HD2 ASN 19 2HD2 ASN 19 -3.555 7.660 7.229 135 H TYR 20 H TYR 20 -0.627 5.561 1.821 136 HA TYR 20 HA TYR 20 -0.751 7.999 0.250 137 1HB TYR 20 2HB TYR 20 1.821 6.662 1.059 138 2HB TYR 20 1HB TYR 20 1.708 7.614 -0.418 139 HD1 TYR 20 1HD TYR 20 1.431 10.028 -0.325 140 HD2 TYR 20 2HD TYR 20 1.717 7.724 3.239 141 HE1 TYR 20 1HE TYR 20 1.834 12.083 0.964 142 HE2 TYR 20 2HE TYR 20 2.120 9.773 4.539 143 HH TYR 20 HH TYR 20 1.632 12.227 4.307 144 H VAL 21 H VAL 21 -1.453 7.488 -1.710 145 HA VAL 21 HA VAL 21 -2.050 4.964 -2.610 146 HB VAL 21 HB VAL 21 -1.265 7.236 -4.436 147 1HG1 VAL 21 1HG1 VAL 21 -2.751 4.683 -4.759 148 2HG1 VAL 21 2HG1 VAL 21 -1.639 5.494 -5.863 149 3HG1 VAL 21 3HG1 VAL 21 -3.292 6.083 -5.684 150 1HG2 VAL 21 1HG2 VAL 21 -2.818 8.344 -3.196 151 2HG2 VAL 21 2HG2 VAL 21 -3.626 6.864 -2.680 152 3HG2 VAL 21 3HG2 VAL 21 -3.907 7.502 -4.299 153 H LYS 22 H LYS 22 0.998 6.644 -2.757 154 HA LYS 22 HA LYS 22 2.261 5.035 -4.705 155 1HB LYS 22 2HB LYS 22 3.549 6.510 -2.402 156 2HB LYS 22 1HB LYS 22 4.347 5.967 -3.871 157 1HG LYS 22 2HG LYS 22 2.213 8.080 -3.666 158 2HG LYS 22 1HG LYS 22 3.930 8.337 -3.984 159 1HD LYS 22 2HD LYS 22 3.491 6.715 -5.992 160 2HD LYS 22 1HD LYS 22 1.813 7.212 -5.764 161 1HE LYS 22 2HE LYS 22 4.185 8.970 -6.360 162 2HE LYS 22 1HE LYS 22 2.796 8.653 -7.398 163 1HZ LYS 22 1HZ LYS 22 2.377 10.728 -6.462 164 2HZ LYS 22 2HZ LYS 22 2.906 10.264 -4.924 165 3HZ LYS 22 3HZ LYS 22 1.439 9.676 -5.526 166 H THR 23 H THR 23 1.873 4.734 -1.223 167 HA THR 23 HA THR 23 3.669 2.546 -0.940 168 HB THR 23 HB THR 23 1.432 2.806 0.983 169 HG1 THR 23 1HG THR 23 3.355 4.855 0.614 170 1HG2 THR 23 1HG2 THR 23 4.418 2.759 1.328 171 2HG2 THR 23 2HG2 THR 23 3.321 1.393 1.525 172 3HG2 THR 23 3HG2 THR 23 3.230 2.764 2.630 173 H TYR 24 H TYR 24 0.197 2.836 -1.458 174 HA TYR 24 HA TYR 24 -0.438 0.108 -1.163 175 1HB TYR 24 2HB TYR 24 -2.118 1.933 -1.215 176 2HB TYR 24 1HB TYR 24 -1.791 2.160 -2.928 177 HD1 TYR 24 1HD TYR 24 -3.662 1.481 -4.112 178 HD2 TYR 24 2HD TYR 24 -2.285 -0.929 -0.887 179 HE1 TYR 24 1HE TYR 24 -5.356 -0.214 -4.662 180 HE2 TYR 24 2HE TYR 24 -3.976 -2.631 -1.428 181 HH TYR 24 HH TYR 24 -5.565 -2.804 -4.273 182 H LEU 25 H LEU 25 0.887 1.983 -3.776 183 HA LEU 25 HA LEU 25 0.559 -0.058 -5.775 184 1HB LEU 25 2HB LEU 25 2.237 2.450 -5.679 185 2HB LEU 25 1HB LEU 25 2.185 1.378 -7.066 186 HG LEU 25 HG LEU 25 -0.332 2.601 -5.977 187 1HD1 LEU 25 1HD1 LEU 25 0.149 4.222 -8.016 188 2HD1 LEU 25 2HD1 LEU 25 1.820 3.898 -7.554 189 3HD1 LEU 25 3HD1 LEU 25 0.700 4.588 -6.381 190 1HD2 LEU 25 1HD2 LEU 25 -0.952 2.367 -8.415 191 2HD2 LEU 25 2HD2 LEU 25 -0.733 0.860 -7.525 192 3HD2 LEU 25 3HD2 LEU 25 0.532 1.434 -8.611 193 H ALA 26 H ALA 26 3.137 1.088 -3.671 194 HA ALA 26 HA ALA 26 5.179 -0.568 -4.646 195 1HB ALA 26 1HB ALA 26 5.729 1.321 -3.276 196 2HB ALA 26 2HB ALA 26 6.264 -0.138 -2.443 197 3HB ALA 26 3HB ALA 26 4.787 0.678 -1.930 198 H HIS 27 H HIS 27 2.649 -1.075 -2.241 199 HA HIS 27 HA HIS 27 3.652 -3.478 -1.162 200 1HB HIS 27 2HB HIS 27 1.922 -2.337 0.030 201 2HB HIS 27 1HB HIS 27 0.845 -2.378 -1.361 202 HD1 HIS 27 1HD HIS 27 2.442 -4.812 1.102 203 HD2 HIS 27 2HD HIS 27 -0.844 -4.476 -1.416 204 HE1 HIS 27 1HE HIS 27 1.019 -6.863 1.509 205 H LYS 28 H LYS 28 1.133 -2.964 -3.638 206 HA LYS 28 HA LYS 28 0.772 -5.658 -4.297 207 1HB LYS 28 2HB LYS 28 -0.503 -3.433 -5.007 208 2HB LYS 28 1HB LYS 28 0.513 -3.593 -6.432 209 1HG LYS 28 2HG LYS 28 -0.577 -5.435 -7.175 210 2HG LYS 28 1HG LYS 28 -0.951 -6.007 -5.547 211 1HD LYS 28 2HD LYS 28 -2.252 -3.484 -6.332 212 2HD LYS 28 1HD LYS 28 -2.767 -4.914 -7.231 213 1HE LYS 28 2HE LYS 28 -4.200 -4.621 -5.318 214 2HE LYS 28 1HE LYS 28 -3.206 -6.059 -5.085 215 1HZ LYS 28 1HZ LYS 28 -3.246 -4.827 -3.062 216 2HZ LYS 28 2HZ LYS 28 -2.806 -3.393 -3.843 217 3HZ LYS 28 3HZ LYS 28 -1.697 -4.665 -3.724 218 H GLN 29 H GLN 29 3.144 -3.311 -5.352 219 HA GLN 29 HA GLN 29 4.183 -5.045 -7.425 220 1HB GLN 29 2HB GLN 29 4.210 -2.317 -7.013 221 2HB GLN 29 1HB GLN 29 5.864 -2.785 -6.641 222 1HG GLN 29 2HG GLN 29 5.651 -2.158 -8.966 223 2HG GLN 29 1HG GLN 29 6.049 -3.869 -8.820 224 1HE2 GLN 29 1HE2 GLN 29 3.780 -1.556 -9.921 225 2HE2 GLN 29 2HE2 GLN 29 2.652 -2.661 -10.623 226 H PHE 30 H PHE 30 4.549 -4.873 -4.092 227 HA PHE 30 HA PHE 30 7.259 -6.012 -4.225 228 1HB PHE 30 2HB PHE 30 5.844 -4.380 -2.156 229 2HB PHE 30 1HB PHE 30 7.097 -5.504 -1.647 230 HD1 PHE 30 1HD PHE 30 6.830 -3.276 -4.622 231 HD2 PHE 30 2HD PHE 30 8.965 -4.288 -1.082 232 HE1 PHE 30 1HE PHE 30 8.550 -1.610 -5.187 233 HE2 PHE 30 2HE PHE 30 10.689 -2.623 -1.641 234 HZ PHE 30 HZ PHE 30 10.483 -1.281 -3.697 235 H TYR 31 H TYR 31 4.305 -6.287 -2.231 236 HA TYR 31 HA TYR 31 4.997 -8.916 -1.342 237 1HB TYR 31 2HB TYR 31 3.386 -6.995 -0.344 238 2HB TYR 31 1HB TYR 31 2.183 -8.019 -1.121 239 HD1 TYR 31 1HD TYR 31 5.072 -8.205 1.231 240 HD2 TYR 31 2HD TYR 31 1.346 -9.863 0.018 241 HE1 TYR 31 1HE TYR 31 5.123 -9.721 3.166 242 HE2 TYR 31 2HE TYR 31 1.386 -11.383 1.949 243 HH TYR 31 HH TYR 31 2.868 -11.066 4.510 244 H HIS 32 H HIS 32 2.581 -7.631 -3.612 245 HA HIS 32 HA HIS 32 1.929 -10.352 -4.452 246 1HB HIS 32 2HB HIS 32 0.683 -7.727 -5.289 247 2HB HIS 32 1HB HIS 32 0.083 -9.332 -5.687 248 HD1 HIS 32 1HD HIS 32 -1.326 -10.529 -3.901 249 HD2 HIS 32 2HD HIS 32 0.327 -6.947 -2.600 250 HE1 HIS 32 1HE HIS 32 -2.433 -9.996 -1.687 251 H LYS 33 H LYS 33 4.504 -9.581 -5.107 252 HA LYS 33 HA LYS 33 4.487 -9.992 -7.930 253 1HB LYS 33 2HB LYS 33 4.130 -7.451 -7.563 254 2HB LYS 33 1HB LYS 33 5.824 -7.436 -7.092 255 1HG LYS 33 2HG LYS 33 5.753 -6.842 -9.373 256 2HG LYS 33 1HG LYS 33 6.342 -8.504 -9.308 257 1HD LYS 33 2HD LYS 33 3.798 -9.086 -9.582 258 2HD LYS 33 1HD LYS 33 3.712 -7.453 -10.247 259 1HE LYS 33 2HE LYS 33 4.072 -9.254 -11.944 260 2HE LYS 33 1HE LYS 33 5.292 -7.980 -11.950 261 1HZ LYS 33 1HZ LYS 33 6.030 -10.432 -12.054 262 2HZ LYS 33 2HZ LYS 33 5.734 -10.439 -10.389 263 3HZ LYS 33 3HZ LYS 33 6.871 -9.369 -11.040 264 H ASN 34 H ASN 34 5.509 -11.489 -5.872 265 HA ASN 34 HA ASN 34 8.216 -11.804 -6.686 266 1HB ASN 34 2HB ASN 34 9.295 -11.385 -4.517 267 2HB ASN 34 1HB ASN 34 8.556 -9.920 -5.156 268 1HD2 ASN 34 1HD2 ASN 34 9.060 -9.708 -2.651 269 2HD2 ASN 34 2HD2 ASN 34 7.673 -9.942 -1.649 270 H LYS 35 H LYS 35 5.804 -13.366 -6.491 271 HA LYS 35 HA LYS 35 6.536 -15.359 -4.457 272 1HB LYS 35 2HB LYS 35 3.970 -14.577 -5.749 273 2HB LYS 35 1HB LYS 35 4.171 -16.263 -5.293 274 1HG LYS 35 2HG LYS 35 4.363 -15.747 -3.021 275 2HG LYS 35 1HG LYS 35 4.677 -14.041 -3.346 276 1HD LYS 35 2HD LYS 35 2.276 -14.195 -4.458 277 2HD LYS 35 1HD LYS 35 2.107 -15.538 -3.325 278 1HE LYS 35 2HE LYS 35 2.880 -12.710 -2.613 279 2HE LYS 35 1HE LYS 35 1.293 -13.436 -2.368 280 1HZ LYS 35 1HZ LYS 35 3.172 -13.379 -0.500 281 2HZ LYS 35 2HZ LYS 35 3.547 -14.865 -1.215 282 3HZ LYS 35 3HZ LYS 35 1.999 -14.597 -0.588 283 HA PRO 36 HA PRO 36 8.014 -17.323 -8.345 284 1HB PRO 36 2HB PRO 36 10.013 -18.722 -7.161 285 2HB PRO 36 1HB PRO 36 10.190 -17.036 -7.661 286 1HG PRO 36 2HG PRO 36 9.617 -18.156 -4.944 287 2HG PRO 36 1HG PRO 36 10.726 -16.851 -5.405 288 1HD PRO 36 2HD PRO 36 8.270 -16.378 -4.364 289 2HD PRO 36 1HD PRO 36 9.034 -15.291 -5.542 Start of MODEL 12 1 1H GLY 1 1HT GLY 1 -18.775 16.123 3.629 2 2H GLY 1 2HT GLY 1 -17.925 17.514 4.077 3 3H GLY 1 3HT GLY 1 -17.096 16.188 3.435 4 1HA GLY 1 1HA GLY 1 -18.838 18.127 2.060 5 2HA GLY 1 2HA GLY 1 -17.200 17.642 1.650 6 H SER 2 H SER 2 -17.559 16.995 -0.428 7 HA SER 2 HA SER 2 -19.731 15.212 -1.082 8 1HB SER 2 2HB SER 2 -19.198 16.728 -2.811 9 2HB SER 2 1HB SER 2 -17.468 16.425 -2.660 10 HG SER 2 HG SER 2 -19.433 14.633 -3.651 11 H ALA 3 H ALA 3 -19.526 13.077 -1.844 12 HA ALA 3 HA ALA 3 -16.954 11.745 -1.479 13 1HB ALA 3 1HB ALA 3 -18.641 11.725 0.613 14 2HB ALA 3 2HB ALA 3 -17.537 10.401 0.239 15 3HB ALA 3 3HB ALA 3 -19.225 10.310 -0.263 16 H ALA 4 H ALA 4 -16.796 11.172 -3.598 17 HA ALA 4 HA ALA 4 -19.046 9.840 -4.895 18 1HB ALA 4 1HB ALA 4 -16.467 11.004 -5.867 19 2HB ALA 4 2HB ALA 4 -18.119 11.379 -6.358 20 3HB ALA 4 3HB ALA 4 -17.370 9.867 -6.870 21 H GLU 5 H GLU 5 -15.613 9.226 -4.194 22 HA GLU 5 HA GLU 5 -15.764 6.674 -3.282 23 1HB GLU 5 2HB GLU 5 -15.070 5.381 -5.413 24 2HB GLU 5 1HB GLU 5 -16.774 5.737 -5.167 25 1HG GLU 5 2HG GLU 5 -16.889 7.065 -6.964 26 2HG GLU 5 1HG GLU 5 -15.309 7.785 -6.661 27 H VAL 6 H VAL 6 -14.081 8.310 -2.443 28 HA VAL 6 HA VAL 6 -11.555 8.115 -3.919 29 HB VAL 6 HB VAL 6 -12.057 9.714 -1.411 30 1HG1 VAL 6 1HG1 VAL 6 -9.951 10.426 -1.606 31 2HG1 VAL 6 2HG1 VAL 6 -10.120 10.703 -3.341 32 3HG1 VAL 6 3HG1 VAL 6 -9.719 9.095 -2.738 33 1HG2 VAL 6 1HG2 VAL 6 -13.547 10.804 -2.745 34 2HG2 VAL 6 2HG2 VAL 6 -12.753 10.298 -4.235 35 3HG2 VAL 6 3HG2 VAL 6 -12.071 11.610 -3.275 36 H MET 7 H MET 7 -12.738 5.839 -2.497 37 HA MET 7 HA MET 7 -11.048 5.478 -0.168 38 1HB MET 7 2HB MET 7 -12.947 3.500 -1.433 39 2HB MET 7 1HB MET 7 -12.247 3.413 0.178 40 1HG MET 7 2HG MET 7 -13.482 5.817 0.290 41 2HG MET 7 1HG MET 7 -14.548 4.943 -0.808 42 1HE MET 7 1HE MET 7 -14.345 6.223 2.195 43 2HE MET 7 2HE MET 7 -14.914 5.119 3.448 44 3HE MET 7 3HE MET 7 -16.025 5.689 2.202 45 H LYS 8 H LYS 8 -8.970 5.066 -0.621 46 HA LYS 8 HA LYS 8 -8.361 2.701 -2.192 47 1HB LYS 8 2HB LYS 8 -6.735 3.780 -3.606 48 2HB LYS 8 1HB LYS 8 -8.282 4.591 -3.799 49 1HG LYS 8 2HG LYS 8 -5.924 5.571 -2.209 50 2HG LYS 8 1HG LYS 8 -6.513 6.215 -3.737 51 1HD LYS 8 2HD LYS 8 -8.751 6.459 -2.325 52 2HD LYS 8 1HD LYS 8 -7.597 6.527 -0.991 53 1HE LYS 8 2HE LYS 8 -7.838 8.360 -3.358 54 2HE LYS 8 1HE LYS 8 -7.929 8.762 -1.644 55 1HZ LYS 8 1HZ LYS 8 -5.819 9.437 -2.157 56 2HZ LYS 8 2HZ LYS 8 -5.568 8.214 -3.300 57 3HZ LYS 8 3HZ LYS 8 -5.504 7.853 -1.648 58 H LYS 9 H LYS 9 -5.780 2.479 -2.163 59 HA LYS 9 HA LYS 9 -3.889 2.148 -0.936 60 1HB LYS 9 2HB LYS 9 -4.780 3.977 1.244 61 2HB LYS 9 1HB LYS 9 -3.180 3.747 0.561 62 1HG LYS 9 2HG LYS 9 -4.214 4.851 -1.550 63 2HG LYS 9 1HG LYS 9 -5.426 5.440 -0.409 64 1HD LYS 9 2HD LYS 9 -2.631 5.764 0.449 65 2HD LYS 9 1HD LYS 9 -3.102 6.716 -0.960 66 1HE LYS 9 2HE LYS 9 -3.406 7.794 1.330 67 2HE LYS 9 1HE LYS 9 -4.776 7.850 0.221 68 1HZ LYS 9 1HZ LYS 9 -4.522 5.699 2.228 69 2HZ LYS 9 2HZ LYS 9 -5.908 6.235 1.422 70 3HZ LYS 9 3HZ LYS 9 -5.211 7.190 2.630 71 H TYR 10 H TYR 10 -5.826 0.298 -0.662 72 HA TYR 10 HA TYR 10 -5.343 -0.673 2.019 73 1HB TYR 10 2HB TYR 10 -7.383 0.674 2.318 74 2HB TYR 10 1HB TYR 10 -8.177 -0.247 1.046 75 HD1 TYR 10 1HD TYR 10 -7.628 0.009 4.526 76 HD2 TYR 10 2HD TYR 10 -8.311 -2.829 1.431 77 HE1 TYR 10 1HE TYR 10 -8.397 -1.621 6.198 78 HE2 TYR 10 2HE TYR 10 -9.083 -4.467 3.095 79 HH TYR 10 HH TYR 10 -8.902 -4.931 5.444 80 H CYS 11 H CYS 11 -5.021 -2.813 1.970 81 HA CYS 11 HA CYS 11 -5.679 -4.232 -0.502 82 1HB CYS 11 2HB CYS 11 -3.350 -4.279 0.617 83 2HB CYS 11 1HB CYS 11 -4.078 -5.387 1.769 84 H SER 12 H SER 12 -7.351 -5.545 -0.635 85 HA SER 12 HA SER 12 -8.940 -6.144 1.689 86 1HB SER 12 2HB SER 12 -10.528 -7.089 0.155 87 2HB SER 12 1HB SER 12 -9.897 -5.618 -0.586 88 HG SER 12 HG SER 12 -9.742 -7.079 -2.175 89 H THR 13 H THR 13 -6.461 -7.704 -0.120 90 HA THR 13 HA THR 13 -7.128 -10.371 0.736 91 HB THR 13 HB THR 13 -4.546 -9.402 -0.494 92 HG1 THR 13 1HG THR 13 -6.905 -10.324 -1.770 93 1HG2 THR 13 1HG2 THR 13 -3.902 -11.511 -0.543 94 2HG2 THR 13 2HG2 THR 13 -5.392 -11.981 -1.361 95 3HG2 THR 13 3HG2 THR 13 -5.327 -11.946 0.401 96 H CYS 14 H CYS 14 -4.763 -7.881 1.619 97 HA CYS 14 HA CYS 14 -3.826 -9.590 3.813 98 1HB CYS 14 2HB CYS 14 -2.681 -6.957 2.873 99 2HB CYS 14 1HB CYS 14 -1.941 -8.094 3.994 100 H ASP 15 H ASP 15 -6.167 -7.329 3.338 101 HA ASP 15 HA ASP 15 -7.344 -5.906 4.656 102 1HB ASP 15 2HB ASP 15 -6.252 -7.742 6.795 103 2HB ASP 15 1HB ASP 15 -7.574 -6.604 7.023 104 H ILE 16 H ILE 16 -4.790 -5.002 3.956 105 HA ILE 16 HA ILE 16 -3.910 -3.560 6.368 106 HB ILE 16 HB ILE 16 -2.342 -3.743 3.808 107 1HG1 ILE 16 2HG1 ILE 16 -2.825 -6.033 4.635 108 2HG1 ILE 16 1HG1 ILE 16 -1.116 -5.626 4.730 109 1HG2 ILE 16 1HG2 ILE 16 -1.749 -2.953 6.637 110 2HG2 ILE 16 2HG2 ILE 16 -1.471 -2.050 5.147 111 3HG2 ILE 16 3HG2 ILE 16 -0.461 -3.443 5.534 112 1HD1 ILE 16 1HD1 ILE 16 -1.351 -5.185 7.114 113 2HD1 ILE 16 2HD1 ILE 16 -1.857 -6.825 6.706 114 3HD1 ILE 16 3HD1 ILE 16 -3.067 -5.580 7.019 115 H SER 17 H SER 17 -3.169 -1.308 5.999 116 HA SER 17 HA SER 17 -4.654 0.008 3.828 117 1HB SER 17 2HB SER 17 -4.780 1.907 5.738 118 2HB SER 17 1HB SER 17 -6.039 0.695 5.505 119 HG SER 17 HG SER 17 -5.285 -0.436 7.214 120 H PHE 18 H PHE 18 -3.858 2.175 3.302 121 HA PHE 18 HA PHE 18 -1.114 2.733 4.114 122 1HB PHE 18 2HB PHE 18 -2.060 2.365 1.267 123 2HB PHE 18 1HB PHE 18 -0.532 3.120 1.695 124 HD1 PHE 18 1HD PHE 18 0.805 1.587 3.537 125 HD2 PHE 18 2HD PHE 18 -1.908 0.209 0.561 126 HE1 PHE 18 1HE PHE 18 1.863 -0.635 3.605 127 HE2 PHE 18 2HE PHE 18 -0.856 -2.014 0.624 128 HZ PHE 18 HZ PHE 18 1.032 -2.439 2.147 129 H ASN 19 H ASN 19 -0.650 4.891 4.191 130 HA ASN 19 HA ASN 19 -2.887 6.703 3.679 131 1HB ASN 19 2HB ASN 19 -0.519 6.735 5.468 132 2HB ASN 19 1HB ASN 19 -1.044 8.296 4.842 133 1HD2 ASN 19 1HD2 ASN 19 -2.287 5.374 6.406 134 2HD2 ASN 19 2HD2 ASN 19 -3.476 6.183 7.363 135 H TYR 20 H TYR 20 -0.842 5.526 1.691 136 HA TYR 20 HA TYR 20 -0.584 7.945 0.137 137 1HB TYR 20 2HB TYR 20 1.805 6.402 1.131 138 2HB TYR 20 1HB TYR 20 1.875 7.392 -0.320 139 HD1 TYR 20 1HD TYR 20 0.900 9.866 0.048 140 HD2 TYR 20 2HD TYR 20 2.498 7.373 3.103 141 HE1 TYR 20 1HE TYR 20 1.358 11.853 1.421 142 HE2 TYR 20 2HE TYR 20 2.960 9.353 4.486 143 HH TYR 20 HH TYR 20 1.627 12.147 4.201 144 H VAL 21 H VAL 21 -1.310 7.399 -1.801 145 HA VAL 21 HA VAL 21 -1.904 4.864 -2.690 146 HB VAL 21 HB VAL 21 -1.076 7.065 -4.576 147 1HG1 VAL 21 1HG1 VAL 21 -2.402 6.024 -6.158 148 2HG1 VAL 21 2HG1 VAL 21 -3.356 5.169 -4.947 149 3HG1 VAL 21 3HG1 VAL 21 -1.707 4.650 -5.297 150 1HG2 VAL 21 1HG2 VAL 21 -3.550 6.807 -2.902 151 2HG2 VAL 21 2HG2 VAL 21 -3.579 7.650 -4.451 152 3HG2 VAL 21 3HG2 VAL 21 -2.524 8.218 -3.158 153 H LYS 22 H LYS 22 1.147 6.517 -2.737 154 HA LYS 22 HA LYS 22 2.462 4.931 -4.671 155 1HB LYS 22 2HB LYS 22 3.687 6.359 -2.304 156 2HB LYS 22 1HB LYS 22 4.524 5.838 -3.759 157 1HG LYS 22 2HG LYS 22 4.199 7.923 -4.472 158 2HG LYS 22 1HG LYS 22 2.540 7.409 -4.781 159 1HD LYS 22 2HD LYS 22 2.313 8.039 -2.192 160 2HD LYS 22 1HD LYS 22 3.633 9.126 -2.629 161 1HE LYS 22 2HE LYS 22 1.973 10.515 -3.237 162 2HE LYS 22 1HE LYS 22 1.935 9.529 -4.699 163 1HZ LYS 22 1HZ LYS 22 0.170 9.323 -2.328 164 2HZ LYS 22 2HZ LYS 22 0.247 8.123 -3.518 165 3HZ LYS 22 3HZ LYS 22 -0.270 9.683 -3.922 166 H THR 23 H THR 23 2.074 4.645 -1.175 167 HA THR 23 HA THR 23 3.791 2.405 -0.886 168 HB THR 23 HB THR 23 1.487 3.222 0.893 169 HG1 THR 23 1HG THR 23 3.008 4.914 0.560 170 1HG2 THR 23 1HG2 THR 23 2.428 0.991 1.380 171 2HG2 THR 23 2HG2 THR 23 2.667 2.157 2.680 172 3HG2 THR 23 3HG2 THR 23 4.006 1.746 1.608 173 H TYR 24 H TYR 24 0.332 2.773 -1.439 174 HA TYR 24 HA TYR 24 -0.358 0.054 -1.158 175 1HB TYR 24 2HB TYR 24 -1.980 1.965 -1.217 176 2HB TYR 24 1HB TYR 24 -1.688 2.101 -2.945 177 HD1 TYR 24 1HD TYR 24 -3.815 1.583 -3.813 178 HD2 TYR 24 2HD TYR 24 -2.012 -1.035 -0.985 179 HE1 TYR 24 1HE TYR 24 -5.572 -0.082 -4.242 180 HE2 TYR 24 2HE TYR 24 -3.764 -2.708 -1.407 181 HH TYR 24 HH TYR 24 -6.585 -2.128 -2.706 182 H LEU 25 H LEU 25 1.031 1.916 -3.746 183 HA LEU 25 HA LEU 25 0.652 -0.088 -5.770 184 1HB LEU 25 2HB LEU 25 2.150 2.492 -5.567 185 2HB LEU 25 1HB LEU 25 2.563 1.376 -6.855 186 HG LEU 25 HG LEU 25 -0.277 2.258 -6.443 187 1HD1 LEU 25 1HD1 LEU 25 1.508 3.645 -8.388 188 2HD1 LEU 25 2HD1 LEU 25 1.476 4.174 -6.706 189 3HD1 LEU 25 3HD1 LEU 25 -0.006 4.186 -7.663 190 1HD2 LEU 25 1HD2 LEU 25 -0.375 0.612 -7.999 191 2HD2 LEU 25 2HD2 LEU 25 1.297 0.843 -8.511 192 3HD2 LEU 25 3HD2 LEU 25 0.042 1.946 -9.074 193 H ALA 26 H ALA 26 3.274 0.968 -3.665 194 HA ALA 26 HA ALA 26 5.246 -0.772 -4.645 195 1HB ALA 26 1HB ALA 26 6.231 0.835 -3.384 196 2HB ALA 26 2HB ALA 26 6.080 -0.403 -2.136 197 3HB ALA 26 3HB ALA 26 4.896 0.901 -2.232 198 H HIS 27 H HIS 27 2.662 -1.185 -2.309 199 HA HIS 27 HA HIS 27 3.640 -3.592 -1.163 200 1HB HIS 27 2HB HIS 27 1.999 -2.381 0.075 201 2HB HIS 27 1HB HIS 27 0.879 -2.375 -1.285 202 HD1 HIS 27 1HD HIS 27 2.340 -4.769 1.275 203 HD2 HIS 27 2HD HIS 27 -0.802 -4.505 -1.428 204 HE1 HIS 27 1HE HIS 27 0.885 -6.799 1.672 205 H LYS 28 H LYS 28 1.451 -2.896 -3.854 206 HA LYS 28 HA LYS 28 0.835 -5.641 -4.356 207 1HB LYS 28 2HB LYS 28 -0.382 -3.379 -5.066 208 2HB LYS 28 1HB LYS 28 0.586 -3.607 -6.516 209 1HG LYS 28 2HG LYS 28 -1.209 -4.780 -7.186 210 2HG LYS 28 1HG LYS 28 -0.439 -6.074 -6.266 211 1HD LYS 28 2HD LYS 28 -2.436 -6.203 -5.234 212 2HD LYS 28 1HD LYS 28 -1.838 -4.821 -4.313 213 1HE LYS 28 2HE LYS 28 -3.614 -4.766 -6.747 214 2HE LYS 28 1HE LYS 28 -4.053 -4.325 -5.098 215 1HZ LYS 28 1HZ LYS 28 -2.021 -2.912 -6.739 216 2HZ LYS 28 2HZ LYS 28 -2.562 -2.460 -5.201 217 3HZ LYS 28 3HZ LYS 28 -3.616 -2.392 -6.521 218 H GLN 29 H GLN 29 3.216 -3.358 -5.554 219 HA GLN 29 HA GLN 29 4.164 -5.183 -7.592 220 1HB GLN 29 2HB GLN 29 4.184 -2.472 -7.390 221 2HB GLN 29 1HB GLN 29 5.826 -2.851 -6.891 222 1HG GLN 29 2HG GLN 29 6.161 -4.104 -8.968 223 2HG GLN 29 1HG GLN 29 4.521 -3.695 -9.469 224 1HE2 GLN 29 1HE2 GLN 29 4.311 -1.982 -10.713 225 2HE2 GLN 29 2HE2 GLN 29 5.444 -0.685 -10.864 226 H PHE 30 H PHE 30 4.735 -4.739 -4.274 227 HA PHE 30 HA PHE 30 7.347 -6.083 -4.499 228 1HB PHE 30 2HB PHE 30 7.164 -3.755 -3.381 229 2HB PHE 30 1HB PHE 30 6.430 -4.624 -2.036 230 HD1 PHE 30 1HD PHE 30 9.408 -3.349 -3.243 231 HD2 PHE 30 2HD PHE 30 7.827 -6.816 -1.348 232 HE1 PHE 30 1HE PHE 30 11.648 -3.896 -2.384 233 HE2 PHE 30 2HE PHE 30 10.064 -7.369 -0.484 234 HZ PHE 30 HZ PHE 30 11.978 -5.908 -1.002 235 H TYR 31 H TYR 31 4.440 -5.902 -2.440 236 HA TYR 31 HA TYR 31 5.073 -8.326 -1.061 237 1HB TYR 31 2HB TYR 31 3.492 -6.246 -0.446 238 2HB TYR 31 1HB TYR 31 2.273 -7.339 -1.093 239 HD1 TYR 31 1HD TYR 31 4.755 -6.843 1.573 240 HD2 TYR 31 2HD TYR 31 1.649 -9.342 0.087 241 HE1 TYR 31 1HE TYR 31 4.684 -8.026 3.728 242 HE2 TYR 31 2HE TYR 31 1.568 -10.531 2.238 243 HH TYR 31 HH TYR 31 2.953 -10.953 4.162 244 H HIS 32 H HIS 32 2.824 -7.457 -3.662 245 HA HIS 32 HA HIS 32 2.132 -10.285 -3.978 246 1HB HIS 32 2HB HIS 32 0.899 -7.790 -5.156 247 2HB HIS 32 1HB HIS 32 0.363 -9.426 -5.520 248 HD1 HIS 32 1HD HIS 32 -1.227 -10.514 -3.852 249 HD2 HIS 32 2HD HIS 32 0.438 -6.970 -2.461 250 HE1 HIS 32 1HE HIS 32 -2.451 -9.942 -1.711 251 H LYS 33 H LYS 33 4.685 -8.850 -4.860 252 HA LYS 33 HA LYS 33 6.079 -8.738 -6.666 253 1HB LYS 33 2HB LYS 33 5.535 -11.281 -6.151 254 2HB LYS 33 1HB LYS 33 4.819 -11.211 -7.756 255 1HG LYS 33 2HG LYS 33 6.934 -11.875 -8.282 256 2HG LYS 33 1HG LYS 33 7.128 -10.124 -8.383 257 1HD LYS 33 2HD LYS 33 7.568 -11.304 -5.719 258 2HD LYS 33 1HD LYS 33 8.748 -11.751 -6.953 259 1HE LYS 33 2HE LYS 33 7.986 -8.963 -6.094 260 2HE LYS 33 1HE LYS 33 9.516 -9.784 -5.790 261 1HZ LYS 33 1HZ LYS 33 8.501 -8.605 -8.274 262 2HZ LYS 33 2HZ LYS 33 9.535 -9.939 -8.384 263 3HZ LYS 33 3HZ LYS 33 10.052 -8.532 -7.601 264 H ASN 34 H ASN 34 3.823 -7.176 -7.074 265 HA ASN 34 HA ASN 34 2.584 -6.125 -8.674 266 1HB ASN 34 2HB ASN 34 4.933 -5.753 -9.481 267 2HB ASN 34 1HB ASN 34 4.725 -7.135 -10.553 268 1HD2 ASN 34 1HD2 ASN 34 4.476 -6.437 -12.542 269 2HD2 ASN 34 2HD2 ASN 34 3.478 -5.119 -13.043 270 H LYS 35 H LYS 35 1.957 -8.943 -8.153 271 HA LYS 35 HA LYS 35 0.315 -9.387 -10.506 272 1HB LYS 35 2HB LYS 35 0.988 -11.796 -10.626 273 2HB LYS 35 1HB LYS 35 2.238 -10.667 -11.131 274 1HG LYS 35 2HG LYS 35 3.398 -12.189 -9.837 275 2HG LYS 35 1HG LYS 35 3.090 -10.868 -8.707 276 1HD LYS 35 2HD LYS 35 1.688 -12.108 -7.440 277 2HD LYS 35 1HD LYS 35 1.014 -12.958 -8.833 278 1HE LYS 35 2HE LYS 35 2.517 -14.637 -8.699 279 2HE LYS 35 1HE LYS 35 3.828 -13.563 -8.213 280 1HZ LYS 35 1HZ LYS 35 1.668 -14.070 -6.300 281 2HZ LYS 35 2HZ LYS 35 3.307 -13.768 -6.018 282 3HZ LYS 35 3HZ LYS 35 2.810 -15.293 -6.554 283 HA PRO 36 HA PRO 36 -2.594 -10.630 -7.432 284 1HB PRO 36 2HB PRO 36 -4.224 -12.239 -8.889 285 2HB PRO 36 1HB PRO 36 -4.210 -10.480 -9.058 286 1HG PRO 36 2HG PRO 36 -2.877 -12.556 -10.754 287 2HG PRO 36 1HG PRO 36 -3.765 -11.104 -11.254 288 1HD PRO 36 2HD PRO 36 -1.062 -11.204 -11.190 289 2HD PRO 36 1HD PRO 36 -1.969 -9.714 -10.856 Start of MODEL 13 1 1H GLY 1 1HT GLY 1 -20.950 3.434 -11.900 2 2H GLY 1 2HT GLY 1 -21.855 2.009 -11.807 3 3H GLY 1 3HT GLY 1 -20.239 1.953 -12.304 4 1HA GLY 1 1HA GLY 1 -19.424 2.448 -10.177 5 2HA GLY 1 2HA GLY 1 -21.018 2.946 -9.630 6 H SER 2 H SER 2 -20.426 0.078 -11.558 7 HA SER 2 HA SER 2 -21.552 -1.546 -9.415 8 1HB SER 2 2HB SER 2 -22.317 -1.675 -11.853 9 2HB SER 2 1HB SER 2 -20.793 -2.502 -12.173 10 HG SER 2 HG SER 2 -22.539 -3.944 -11.719 11 H ALA 3 H ALA 3 -20.583 -3.739 -9.055 12 HA ALA 3 HA ALA 3 -18.861 -5.033 -8.322 13 1HB ALA 3 1HB ALA 3 -18.329 -4.823 -10.823 14 2HB ALA 3 2HB ALA 3 -17.040 -5.362 -9.745 15 3HB ALA 3 3HB ALA 3 -17.070 -3.695 -10.320 16 H ALA 4 H ALA 4 -18.661 -4.141 -6.279 17 HA ALA 4 HA ALA 4 -17.241 -1.749 -5.726 18 1HB ALA 4 1HB ALA 4 -17.867 -2.075 -3.583 19 2HB ALA 4 2HB ALA 4 -17.404 -3.776 -3.591 20 3HB ALA 4 3HB ALA 4 -18.939 -3.277 -4.301 21 H GLU 5 H GLU 5 -15.146 -1.379 -5.256 22 HA GLU 5 HA GLU 5 -13.222 -2.991 -4.225 23 1HB GLU 5 2HB GLU 5 -11.962 -3.646 -6.389 24 2HB GLU 5 1HB GLU 5 -13.306 -4.651 -5.864 25 1HG GLU 5 2HG GLU 5 -14.520 -4.191 -7.681 26 2HG GLU 5 1HG GLU 5 -14.080 -2.484 -7.664 27 H VAL 6 H VAL 6 -13.325 -0.544 -3.762 28 HA VAL 6 HA VAL 6 -12.109 1.235 -5.623 29 HB VAL 6 HB VAL 6 -13.591 2.074 -3.877 30 1HG1 VAL 6 1HG1 VAL 6 -11.603 1.832 -1.721 31 2HG1 VAL 6 2HG1 VAL 6 -12.388 0.329 -2.205 32 3HG1 VAL 6 3HG1 VAL 6 -13.360 1.699 -1.669 33 1HG2 VAL 6 1HG2 VAL 6 -12.058 3.674 -4.743 34 2HG2 VAL 6 2HG2 VAL 6 -10.749 3.059 -3.734 35 3HG2 VAL 6 3HG2 VAL 6 -12.109 3.903 -2.996 36 H MET 7 H MET 7 -10.119 0.571 -6.300 37 HA MET 7 HA MET 7 -8.117 -0.351 -4.452 38 1HB MET 7 2HB MET 7 -8.141 0.200 -7.410 39 2HB MET 7 1HB MET 7 -6.649 -0.182 -6.564 40 1HG MET 7 2HG MET 7 -8.849 -2.036 -6.028 41 2HG MET 7 1HG MET 7 -8.314 -1.998 -7.708 42 1HE MET 7 1HE MET 7 -4.916 -2.961 -7.919 43 2HE MET 7 2HE MET 7 -6.494 -2.619 -8.628 44 3HE MET 7 3HE MET 7 -6.101 -4.254 -8.099 45 H LYS 8 H LYS 8 -8.295 1.658 -3.130 46 HA LYS 8 HA LYS 8 -6.902 3.960 -4.266 47 1HB LYS 8 2HB LYS 8 -8.909 4.534 -3.098 48 2HB LYS 8 1HB LYS 8 -8.449 3.565 -1.705 49 1HG LYS 8 2HG LYS 8 -6.525 5.141 -1.366 50 2HG LYS 8 1HG LYS 8 -7.230 6.159 -2.620 51 1HD LYS 8 2HD LYS 8 -7.832 6.868 -0.320 52 2HD LYS 8 1HD LYS 8 -9.232 6.469 -1.319 53 1HE LYS 8 2HE LYS 8 -8.190 4.186 0.168 54 2HE LYS 8 1HE LYS 8 -8.718 5.508 1.209 55 1HZ LYS 8 1HZ LYS 8 -10.478 3.870 0.669 56 2HZ LYS 8 2HZ LYS 8 -10.384 4.341 -0.952 57 3HZ LYS 8 3HZ LYS 8 -10.872 5.454 0.224 58 H LYS 9 H LYS 9 -6.814 2.694 -0.956 59 HA LYS 9 HA LYS 9 -3.982 2.097 -1.159 60 1HB LYS 9 2HB LYS 9 -3.409 3.595 0.741 61 2HB LYS 9 1HB LYS 9 -3.888 4.463 -0.710 62 1HG LYS 9 2HG LYS 9 -6.256 4.393 0.440 63 2HG LYS 9 1HG LYS 9 -5.283 4.208 1.900 64 1HD LYS 9 2HD LYS 9 -3.971 6.233 1.098 65 2HD LYS 9 1HD LYS 9 -5.262 6.472 -0.081 66 1HE LYS 9 2HE LYS 9 -6.799 6.275 2.037 67 2HE LYS 9 1HE LYS 9 -5.324 6.732 2.888 68 1HZ LYS 9 1HZ LYS 9 -5.253 8.778 1.830 69 2HZ LYS 9 2HZ LYS 9 -6.906 8.571 2.124 70 3HZ LYS 9 3HZ LYS 9 -6.280 8.296 0.576 71 H TYR 10 H TYR 10 -5.879 0.268 -0.763 72 HA TYR 10 HA TYR 10 -5.293 -0.684 1.907 73 1HB TYR 10 2HB TYR 10 -7.325 0.591 2.327 74 2HB TYR 10 1HB TYR 10 -8.140 -0.212 0.991 75 HD1 TYR 10 1HD TYR 10 -7.488 -0.272 4.485 76 HD2 TYR 10 2HD TYR 10 -8.431 -2.773 1.175 77 HE1 TYR 10 1HE TYR 10 -8.299 -2.004 6.031 78 HE2 TYR 10 2HE TYR 10 -9.247 -4.510 2.712 79 HH TYR 10 HH TYR 10 -9.038 -5.200 4.992 80 H CYS 11 H CYS 11 -4.885 -2.809 1.809 81 HA CYS 11 HA CYS 11 -5.437 -4.205 -0.667 82 1HB CYS 11 2HB CYS 11 -3.244 -4.364 0.615 83 2HB CYS 11 1HB CYS 11 -4.103 -5.373 1.771 84 H SER 12 H SER 12 -7.074 -5.503 -1.027 85 HA SER 12 HA SER 12 -8.934 -6.129 1.105 86 1HB SER 12 2HB SER 12 -9.403 -5.401 -1.417 87 2HB SER 12 1HB SER 12 -9.352 -7.146 -1.664 88 HG SER 12 HG SER 12 -10.941 -5.902 0.325 89 H THR 13 H THR 13 -6.215 -7.473 0.754 90 HA THR 13 HA THR 13 -7.217 -10.209 0.998 91 HB THR 13 HB THR 13 -4.706 -9.405 -0.477 92 HG1 THR 13 1HG THR 13 -6.431 -9.005 -1.788 93 1HG2 THR 13 1HG2 THR 13 -5.626 -11.968 0.541 94 2HG2 THR 13 2HG2 THR 13 -4.038 -11.482 -0.053 95 3HG2 THR 13 3HG2 THR 13 -5.291 -11.978 -1.191 96 H CYS 14 H CYS 14 -4.752 -7.828 1.778 97 HA CYS 14 HA CYS 14 -3.707 -9.598 3.875 98 1HB CYS 14 2HB CYS 14 -2.602 -6.970 2.869 99 2HB CYS 14 1HB CYS 14 -1.828 -8.044 4.028 100 H ASP 15 H ASP 15 -6.073 -7.348 3.583 101 HA ASP 15 HA ASP 15 -7.201 -5.983 5.000 102 1HB ASP 15 2HB ASP 15 -5.896 -7.800 7.033 103 2HB ASP 15 1HB ASP 15 -7.219 -6.693 7.378 104 H ILE 16 H ILE 16 -4.781 -4.954 4.102 105 HA ILE 16 HA ILE 16 -3.823 -3.450 6.451 106 HB ILE 16 HB ILE 16 -2.255 -3.731 3.902 107 1HG1 ILE 16 2HG1 ILE 16 -2.718 -6.001 4.751 108 2HG1 ILE 16 1HG1 ILE 16 -1.017 -5.580 4.910 109 1HG2 ILE 16 1HG2 ILE 16 -1.421 -1.993 5.232 110 2HG2 ILE 16 2HG2 ILE 16 -0.372 -3.366 5.587 111 3HG2 ILE 16 3HG2 ILE 16 -1.642 -2.909 6.723 112 1HD1 ILE 16 1HD1 ILE 16 -1.640 -6.687 6.896 113 2HD1 ILE 16 2HD1 ILE 16 -3.095 -5.705 7.070 114 3HD1 ILE 16 3HD1 ILE 16 -1.507 -4.975 7.299 115 H SER 17 H SER 17 -3.113 -1.223 5.980 116 HA SER 17 HA SER 17 -4.556 -0.021 3.718 117 1HB SER 17 2HB SER 17 -4.714 1.938 5.627 118 2HB SER 17 1HB SER 17 -6.008 0.801 5.250 119 HG SER 17 HG SER 17 -4.003 0.357 7.209 120 H PHE 18 H PHE 18 -3.771 2.159 3.158 121 HA PHE 18 HA PHE 18 -1.028 2.697 4.014 122 1HB PHE 18 2HB PHE 18 -1.983 2.417 1.161 123 2HB PHE 18 1HB PHE 18 -0.444 3.140 1.608 124 HD1 PHE 18 1HD PHE 18 1.203 1.700 2.921 125 HD2 PHE 18 2HD PHE 18 -2.192 0.122 0.897 126 HE1 PHE 18 1HE PHE 18 2.233 -0.536 2.943 127 HE2 PHE 18 2HE PHE 18 -1.171 -2.115 0.918 128 HZ PHE 18 HZ PHE 18 1.043 -2.448 1.941 129 H ASN 19 H ASN 19 -0.595 4.808 4.289 130 HA ASN 19 HA ASN 19 -2.763 6.692 3.970 131 1HB ASN 19 2HB ASN 19 -0.131 6.673 5.359 132 2HB ASN 19 1HB ASN 19 -0.792 8.240 4.901 133 1HD2 ASN 19 1HD2 ASN 19 -3.122 8.561 5.523 134 2HD2 ASN 19 2HD2 ASN 19 -3.593 8.000 7.087 135 H TYR 20 H TYR 20 -0.624 5.549 1.820 136 HA TYR 20 HA TYR 20 -0.768 7.966 0.212 137 1HB TYR 20 2HB TYR 20 1.795 6.674 1.098 138 2HB TYR 20 1HB TYR 20 1.710 7.521 -0.443 139 HD1 TYR 20 1HD TYR 20 0.031 9.825 0.160 140 HD2 TYR 20 2HD TYR 20 3.062 7.995 2.519 141 HE1 TYR 20 1HE TYR 20 0.415 11.963 1.312 142 HE2 TYR 20 2HE TYR 20 3.455 10.128 3.678 143 HH TYR 20 HH TYR 20 1.334 12.749 3.474 144 H VAL 21 H VAL 21 -1.397 7.454 -1.776 145 HA VAL 21 HA VAL 21 -2.016 4.915 -2.642 146 HB VAL 21 HB VAL 21 -1.197 7.156 -4.491 147 1HG1 VAL 21 1HG1 VAL 21 -3.455 5.366 -5.114 148 2HG1 VAL 21 2HG1 VAL 21 -1.853 4.628 -5.142 149 3HG1 VAL 21 3HG1 VAL 21 -2.199 6.022 -6.165 150 1HG2 VAL 21 1HG2 VAL 21 -3.556 6.848 -2.729 151 2HG2 VAL 21 2HG2 VAL 21 -3.852 7.425 -4.369 152 3HG2 VAL 21 3HG2 VAL 21 -2.754 8.308 -3.308 153 H LYS 22 H LYS 22 1.040 6.593 -2.810 154 HA LYS 22 HA LYS 22 2.306 4.930 -4.711 155 1HB LYS 22 2HB LYS 22 4.430 5.806 -3.643 156 2HB LYS 22 1HB LYS 22 3.322 7.026 -4.255 157 1HG LYS 22 2HG LYS 22 2.729 7.742 -2.151 158 2HG LYS 22 1HG LYS 22 3.167 6.209 -1.392 159 1HD LYS 22 2HD LYS 22 5.383 7.642 -2.692 160 2HD LYS 22 1HD LYS 22 4.680 8.458 -1.294 161 1HE LYS 22 2HE LYS 22 5.628 5.596 -1.310 162 2HE LYS 22 1HE LYS 22 6.583 6.960 -0.731 163 1HZ LYS 22 1HZ LYS 22 5.637 6.204 1.197 164 2HZ LYS 22 2HZ LYS 22 4.194 5.728 0.454 165 3HZ LYS 22 3HZ LYS 22 4.495 7.368 0.740 166 H THR 23 H THR 23 1.861 4.699 -1.238 167 HA THR 23 HA THR 23 3.680 2.538 -0.872 168 HB THR 23 HB THR 23 1.407 2.818 1.005 169 HG1 THR 23 1HG THR 23 2.047 4.782 1.753 170 1HG2 THR 23 1HG2 THR 23 4.369 2.925 1.498 171 2HG2 THR 23 2HG2 THR 23 3.408 1.446 1.505 172 3HG2 THR 23 3HG2 THR 23 3.090 2.710 2.692 173 H TYR 24 H TYR 24 0.214 2.783 -1.453 174 HA TYR 24 HA TYR 24 -0.398 0.056 -1.110 175 1HB TYR 24 2HB TYR 24 -2.078 1.900 -1.244 176 2HB TYR 24 1HB TYR 24 -1.756 2.019 -2.969 177 HD1 TYR 24 1HD TYR 24 -3.710 1.319 -4.021 178 HD2 TYR 24 2HD TYR 24 -2.148 -0.996 -0.812 179 HE1 TYR 24 1HE TYR 24 -5.399 -0.414 -4.458 180 HE2 TYR 24 2HE TYR 24 -3.832 -2.737 -1.241 181 HH TYR 24 HH TYR 24 -5.396 -3.175 -3.878 182 H LEU 25 H LEU 25 0.960 1.882 -3.742 183 HA LEU 25 HA LEU 25 0.674 -0.202 -5.701 184 1HB LEU 25 2HB LEU 25 2.276 2.349 -5.607 185 2HB LEU 25 1HB LEU 25 2.383 1.228 -6.951 186 HG LEU 25 HG LEU 25 -0.195 2.521 -6.067 187 1HD1 LEU 25 1HD1 LEU 25 1.310 3.336 -8.511 188 2HD1 LEU 25 2HD1 LEU 25 1.731 4.038 -6.948 189 3HD1 LEU 25 3HD1 LEU 25 0.097 4.223 -7.588 190 1HD2 LEU 25 1HD2 LEU 25 -0.672 1.896 -8.557 191 2HD2 LEU 25 2HD2 LEU 25 -0.815 0.675 -7.292 192 3HD2 LEU 25 3HD2 LEU 25 0.626 0.729 -8.308 193 H ALA 26 H ALA 26 3.221 1.011 -3.593 194 HA ALA 26 HA ALA 26 5.286 -0.657 -4.487 195 1HB ALA 26 1HB ALA 26 5.378 1.408 -2.944 196 2HB ALA 26 2HB ALA 26 6.511 0.087 -2.657 197 3HB ALA 26 3HB ALA 26 5.077 0.254 -1.644 198 H HIS 27 H HIS 27 2.644 -1.179 -2.236 199 HA HIS 27 HA HIS 27 3.709 -3.569 -1.099 200 1HB HIS 27 2HB HIS 27 2.076 -2.419 0.191 201 2HB HIS 27 1HB HIS 27 0.936 -2.379 -1.151 202 HD1 HIS 27 1HD HIS 27 2.430 -4.826 1.335 203 HD2 HIS 27 2HD HIS 27 -0.735 -4.518 -1.336 204 HE1 HIS 27 1HE HIS 27 0.983 -6.868 1.706 205 H LYS 28 H LYS 28 1.386 -2.899 -3.693 206 HA LYS 28 HA LYS 28 0.848 -5.647 -4.229 207 1HB LYS 28 2HB LYS 28 -0.299 -3.255 -4.959 208 2HB LYS 28 1HB LYS 28 0.442 -3.788 -6.461 209 1HG LYS 28 2HG LYS 28 -1.265 -5.648 -4.856 210 2HG LYS 28 1HG LYS 28 -1.986 -4.470 -5.954 211 1HD LYS 28 2HD LYS 28 -0.285 -5.448 -7.672 212 2HD LYS 28 1HD LYS 28 -0.248 -6.825 -6.569 213 1HE LYS 28 2HE LYS 28 -1.914 -7.396 -8.089 214 2HE LYS 28 1HE LYS 28 -2.815 -6.745 -6.722 215 1HZ LYS 28 1HZ LYS 28 -2.159 -5.328 -9.248 216 2HZ LYS 28 2HZ LYS 28 -2.899 -4.602 -7.912 217 3HZ LYS 28 3HZ LYS 28 -3.690 -5.844 -8.743 218 H GLN 29 H GLN 29 3.295 -3.405 -5.243 219 HA GLN 29 HA GLN 29 4.131 -5.016 -7.494 220 1HB GLN 29 2HB GLN 29 4.701 -2.353 -6.456 221 2HB GLN 29 1HB GLN 29 6.146 -3.180 -7.019 222 1HG GLN 29 2HG GLN 29 3.818 -3.326 -8.811 223 2HG GLN 29 1HG GLN 29 4.524 -1.725 -8.595 224 1HE2 GLN 29 1HE2 GLN 29 4.567 -2.895 -11.043 225 2HE2 GLN 29 2HE2 GLN 29 6.181 -3.355 -11.455 226 H PHE 30 H PHE 30 4.885 -4.807 -4.126 227 HA PHE 30 HA PHE 30 7.268 -6.482 -4.568 228 1HB PHE 30 2HB PHE 30 6.664 -4.342 -2.596 229 2HB PHE 30 1HB PHE 30 7.643 -5.695 -2.046 230 HD1 PHE 30 1HD PHE 30 7.422 -3.143 -4.737 231 HD2 PHE 30 2HD PHE 30 9.923 -5.727 -2.463 232 HE1 PHE 30 1HE PHE 30 9.408 -2.109 -5.756 233 HE2 PHE 30 2HE PHE 30 11.915 -4.698 -3.476 234 HZ PHE 30 HZ PHE 30 11.660 -2.886 -5.125 235 H TYR 31 H TYR 31 4.463 -6.028 -2.431 236 HA TYR 31 HA TYR 31 4.907 -8.477 -1.024 237 1HB TYR 31 2HB TYR 31 3.477 -6.258 -0.460 238 2HB TYR 31 1HB TYR 31 2.186 -7.307 -1.037 239 HD1 TYR 31 1HD TYR 31 4.406 -6.539 1.691 240 HD2 TYR 31 2HD TYR 31 1.833 -9.530 0.099 241 HE1 TYR 31 1HE TYR 31 4.320 -7.629 3.893 242 HE2 TYR 31 2HE TYR 31 1.739 -10.628 2.296 243 HH TYR 31 HH TYR 31 2.064 -10.028 4.670 244 H HIS 32 H HIS 32 3.059 -7.534 -3.841 245 HA HIS 32 HA HIS 32 2.102 -10.311 -4.082 246 1HB HIS 32 2HB HIS 32 0.876 -7.758 -5.138 247 2HB HIS 32 1HB HIS 32 0.300 -9.372 -5.538 248 HD1 HIS 32 1HD HIS 32 -1.214 -10.524 -3.827 249 HD2 HIS 32 2HD HIS 32 0.467 -6.987 -2.436 250 HE1 HIS 32 1HE HIS 32 -2.388 -9.983 -1.649 251 H LYS 33 H LYS 33 4.654 -8.918 -5.007 252 HA LYS 33 HA LYS 33 5.999 -8.808 -6.847 253 1HB LYS 33 2HB LYS 33 4.406 -11.257 -7.625 254 2HB LYS 33 1HB LYS 33 5.997 -10.821 -8.232 255 1HG LYS 33 2HG LYS 33 5.390 -11.407 -5.343 256 2HG LYS 33 1HG LYS 33 6.020 -12.588 -6.492 257 1HD LYS 33 2HD LYS 33 8.097 -11.703 -6.462 258 2HD LYS 33 1HD LYS 33 7.500 -10.046 -6.350 259 1HE LYS 33 2HE LYS 33 6.776 -11.006 -3.926 260 2HE LYS 33 1HE LYS 33 8.237 -11.947 -4.224 261 1HZ LYS 33 1HZ LYS 33 8.266 -9.035 -4.648 262 2HZ LYS 33 2HZ LYS 33 9.544 -10.071 -4.257 263 3HZ LYS 33 3HZ LYS 33 8.406 -9.652 -3.079 264 H ASN 34 H ASN 34 3.835 -7.093 -7.081 265 HA ASN 34 HA ASN 34 2.619 -5.872 -8.571 266 1HB ASN 34 2HB ASN 34 4.895 -5.540 -9.480 267 2HB ASN 34 1HB ASN 34 4.671 -6.942 -10.521 268 1HD2 ASN 34 1HD2 ASN 34 3.962 -6.572 -12.491 269 2HD2 ASN 34 2HD2 ASN 34 3.143 -5.148 -13.026 270 H LYS 35 H LYS 35 0.903 -7.539 -8.208 271 HA LYS 35 HA LYS 35 -0.813 -8.806 -8.996 272 1HB LYS 35 2HB LYS 35 -0.137 -7.017 -11.058 273 2HB LYS 35 1HB LYS 35 -0.359 -8.576 -11.838 274 1HG LYS 35 2HG LYS 35 -2.356 -7.228 -10.031 275 2HG LYS 35 1HG LYS 35 -2.419 -7.260 -11.794 276 1HD LYS 35 2HD LYS 35 -3.181 -9.380 -11.852 277 2HD LYS 35 1HD LYS 35 -2.147 -9.893 -10.517 278 1HE LYS 35 2HE LYS 35 -4.569 -10.008 -9.994 279 2HE LYS 35 1HE LYS 35 -3.664 -8.955 -8.908 280 1HZ LYS 35 1HZ LYS 35 -5.411 -8.128 -11.159 281 2HZ LYS 35 2HZ LYS 35 -4.411 -7.063 -10.308 282 3HZ LYS 35 3HZ LYS 35 -5.671 -7.859 -9.509 283 HA PRO 36 HA PRO 36 1.834 -12.455 -9.733 284 1HB PRO 36 2HB PRO 36 0.278 -14.178 -8.334 285 2HB PRO 36 1HB PRO 36 1.452 -13.107 -7.561 286 1HG PRO 36 2HG PRO 36 -1.509 -12.776 -7.850 287 2HG PRO 36 1HG PRO 36 -0.483 -12.473 -6.436 288 1HD PRO 36 2HD PRO 36 -1.353 -10.488 -8.063 289 2HD PRO 36 1HD PRO 36 0.210 -10.421 -7.225 Start of MODEL 14 1 1H GLY 1 1HT GLY 1 -17.461 -8.609 7.015 2 2H GLY 1 2HT GLY 1 -17.181 -9.531 8.405 3 3H GLY 1 3HT GLY 1 -18.756 -9.341 7.821 4 1HA GLY 1 1HA GLY 1 -17.260 -11.484 7.330 5 2HA GLY 1 2HA GLY 1 -18.553 -10.931 6.277 6 H SER 2 H SER 2 -17.508 -8.783 5.022 7 HA SER 2 HA SER 2 -14.859 -9.267 4.048 8 1HB SER 2 2HB SER 2 -16.033 -11.027 2.818 9 2HB SER 2 1HB SER 2 -17.197 -9.848 2.215 10 HG SER 2 HG SER 2 -15.735 -9.063 0.861 11 H ALA 3 H ALA 3 -14.008 -7.421 3.297 12 HA ALA 3 HA ALA 3 -13.811 -5.237 2.690 13 1HB ALA 3 1HB ALA 3 -16.191 -6.172 1.206 14 2HB ALA 3 2HB ALA 3 -14.694 -5.452 0.615 15 3HB ALA 3 3HB ALA 3 -15.952 -4.428 1.307 16 H ALA 4 H ALA 4 -13.834 -4.162 4.607 17 HA ALA 4 HA ALA 4 -16.444 -3.123 5.500 18 1HB ALA 4 1HB ALA 4 -15.034 -4.867 6.958 19 2HB ALA 4 2HB ALA 4 -16.026 -3.598 7.675 20 3HB ALA 4 3HB ALA 4 -14.286 -3.367 7.506 21 H GLU 5 H GLU 5 -14.782 -1.848 3.616 22 HA GLU 5 HA GLU 5 -14.761 0.757 4.377 23 1HB GLU 5 2HB GLU 5 -12.225 1.101 4.763 24 2HB GLU 5 1HB GLU 5 -13.212 0.556 6.111 25 1HG GLU 5 2HG GLU 5 -12.323 -1.563 6.084 26 2HG GLU 5 1HG GLU 5 -11.853 -1.460 4.388 27 H VAL 6 H VAL 6 -15.391 0.027 2.078 28 HA VAL 6 HA VAL 6 -13.488 -0.529 0.115 29 HB VAL 6 HB VAL 6 -15.987 1.110 -0.310 30 1HG1 VAL 6 1HG1 VAL 6 -14.177 -0.479 -2.086 31 2HG1 VAL 6 2HG1 VAL 6 -14.812 1.152 -2.308 32 3HG1 VAL 6 3HG1 VAL 6 -15.871 -0.243 -2.516 33 1HG2 VAL 6 1HG2 VAL 6 -16.904 -1.251 -0.906 34 2HG2 VAL 6 2HG2 VAL 6 -16.854 -0.734 0.779 35 3HG2 VAL 6 3HG2 VAL 6 -15.612 -1.819 0.152 36 H MET 7 H MET 7 -11.707 0.635 -0.224 37 HA MET 7 HA MET 7 -11.793 3.223 -1.303 38 1HB MET 7 2HB MET 7 -10.683 4.486 0.506 39 2HB MET 7 1HB MET 7 -12.301 3.961 0.952 40 1HG MET 7 2HG MET 7 -11.555 2.543 2.551 41 2HG MET 7 1HG MET 7 -10.059 2.183 1.692 42 1HE MET 7 1HE MET 7 -11.003 2.716 4.581 43 2HE MET 7 2HE MET 7 -11.136 4.417 5.032 44 3HE MET 7 3HE MET 7 -9.640 3.536 5.344 45 H LYS 8 H LYS 8 -9.808 3.858 -2.141 46 HA LYS 8 HA LYS 8 -7.970 1.875 -2.755 47 1HB LYS 8 2HB LYS 8 -6.764 3.499 -3.889 48 2HB LYS 8 1HB LYS 8 -8.371 4.206 -3.834 49 1HG LYS 8 2HG LYS 8 -6.127 4.881 -1.938 50 2HG LYS 8 1HG LYS 8 -6.576 5.824 -3.358 51 1HD LYS 8 2HD LYS 8 -8.971 5.597 -2.090 52 2HD LYS 8 1HD LYS 8 -7.858 5.650 -0.722 53 1HE LYS 8 2HE LYS 8 -8.210 7.886 -1.023 54 2HE LYS 8 1HE LYS 8 -6.826 7.656 -2.089 55 1HZ LYS 8 1HZ LYS 8 -8.244 8.784 -3.454 56 2HZ LYS 8 2HZ LYS 8 -9.640 8.116 -2.771 57 3HZ LYS 8 3HZ LYS 8 -8.696 7.197 -3.831 58 H LYS 9 H LYS 9 -5.449 2.571 -2.339 59 HA LYS 9 HA LYS 9 -3.774 2.119 -0.864 60 1HB LYS 9 2HB LYS 9 -3.550 3.820 0.905 61 2HB LYS 9 1HB LYS 9 -3.940 4.522 -0.654 62 1HG LYS 9 2HG LYS 9 -6.268 4.770 0.032 63 2HG LYS 9 1HG LYS 9 -5.887 4.049 1.596 64 1HD LYS 9 2HD LYS 9 -5.488 6.126 2.310 65 2HD LYS 9 1HD LYS 9 -4.022 6.076 1.331 66 1HE LYS 9 2HE LYS 9 -6.674 6.917 0.198 67 2HE LYS 9 1HE LYS 9 -5.593 8.058 0.996 68 1HZ LYS 9 1HZ LYS 9 -3.855 7.154 -0.638 69 2HZ LYS 9 2HZ LYS 9 -5.020 8.231 -1.223 70 3HZ LYS 9 3HZ LYS 9 -5.179 6.574 -1.518 71 H TYR 10 H TYR 10 -5.845 0.322 -0.576 72 HA TYR 10 HA TYR 10 -5.386 -0.576 2.136 73 1HB TYR 10 2HB TYR 10 -7.355 0.825 2.469 74 2HB TYR 10 1HB TYR 10 -8.190 0.007 1.152 75 HD1 TYR 10 1HD TYR 10 -6.712 -0.565 4.516 76 HD2 TYR 10 2HD TYR 10 -9.473 -1.906 1.571 77 HE1 TYR 10 1HE TYR 10 -7.617 -2.198 6.117 78 HE2 TYR 10 2HE TYR 10 -10.387 -3.542 3.164 79 HH TYR 10 HH TYR 10 -10.523 -3.818 5.646 80 H CYS 11 H CYS 11 -4.800 -2.631 1.872 81 HA CYS 11 HA CYS 11 -5.697 -4.102 -0.462 82 1HB CYS 11 2HB CYS 11 -3.314 -4.143 0.547 83 2HB CYS 11 1HB CYS 11 -3.985 -5.269 1.714 84 H SER 12 H SER 12 -7.410 -5.346 -0.496 85 HA SER 12 HA SER 12 -8.832 -5.991 1.924 86 1HB SER 12 2HB SER 12 -10.509 -6.972 0.432 87 2HB SER 12 1HB SER 12 -10.038 -5.374 -0.143 88 HG SER 12 HG SER 12 -9.598 -7.872 -1.265 89 H THR 13 H THR 13 -6.529 -7.515 -0.127 90 HA THR 13 HA THR 13 -7.165 -10.207 0.651 91 HB THR 13 HB THR 13 -4.675 -9.152 -0.699 92 HG1 THR 13 1HG THR 13 -6.231 -8.683 -2.108 93 1HG2 THR 13 1HG2 THR 13 -5.788 -11.905 -0.354 94 2HG2 THR 13 2HG2 THR 13 -4.150 -11.322 -0.065 95 3HG2 THR 13 3HG2 THR 13 -4.746 -11.497 -1.716 96 H CYS 14 H CYS 14 -4.718 -7.785 1.517 97 HA CYS 14 HA CYS 14 -3.686 -9.606 3.572 98 1HB CYS 14 2HB CYS 14 -2.592 -6.928 2.696 99 2HB CYS 14 1HB CYS 14 -1.801 -8.089 3.756 100 H ASP 15 H ASP 15 -6.035 -7.300 3.331 101 HA ASP 15 HA ASP 15 -7.166 -5.995 4.807 102 1HB ASP 15 2HB ASP 15 -6.503 -8.408 6.110 103 2HB ASP 15 1HB ASP 15 -6.248 -7.127 7.289 104 H ILE 16 H ILE 16 -4.679 -5.017 3.982 105 HA ILE 16 HA ILE 16 -3.677 -3.654 6.393 106 HB ILE 16 HB ILE 16 -2.251 -3.711 3.745 107 1HG1 ILE 16 2HG1 ILE 16 -2.645 -6.043 4.483 108 2HG1 ILE 16 1HG1 ILE 16 -0.940 -5.606 4.535 109 1HG2 ILE 16 1HG2 ILE 16 -0.280 -3.437 5.355 110 2HG2 ILE 16 2HG2 ILE 16 -1.497 -3.055 6.572 111 3HG2 ILE 16 3HG2 ILE 16 -1.353 -2.056 5.126 112 1HD1 ILE 16 1HD1 ILE 16 -1.069 -5.306 6.935 113 2HD1 ILE 16 2HD1 ILE 16 -1.625 -6.916 6.479 114 3HD1 ILE 16 3HD1 ILE 16 -2.795 -5.668 6.903 115 H SER 17 H SER 17 -3.002 -1.377 6.068 116 HA SER 17 HA SER 17 -4.675 -0.026 4.058 117 1HB SER 17 2HB SER 17 -4.632 1.830 6.007 118 2HB SER 17 1HB SER 17 -5.888 0.598 5.891 119 HG SER 17 HG SER 17 -5.153 0.484 7.951 120 H PHE 18 H PHE 18 -3.963 2.128 3.477 121 HA PHE 18 HA PHE 18 -1.174 2.756 4.033 122 1HB PHE 18 2HB PHE 18 -2.365 2.328 1.290 123 2HB PHE 18 1HB PHE 18 -0.854 3.183 1.558 124 HD1 PHE 18 1HD PHE 18 0.975 1.888 2.868 125 HD2 PHE 18 2HD PHE 18 -2.364 0.048 0.978 126 HE1 PHE 18 1HE PHE 18 2.178 -0.258 2.841 127 HE2 PHE 18 2HE PHE 18 -1.168 -2.101 0.948 128 HZ PHE 18 HZ PHE 18 1.105 -2.257 1.880 129 H ASN 19 H ASN 19 -0.730 4.938 3.941 130 HA ASN 19 HA ASN 19 -3.076 6.673 3.790 131 1HB ASN 19 2HB ASN 19 -0.350 6.944 5.016 132 2HB ASN 19 1HB ASN 19 -1.317 8.380 4.695 133 1HD2 ASN 19 1HD2 ASN 19 -3.470 8.450 5.644 134 2HD2 ASN 19 2HD2 ASN 19 -3.733 7.689 7.172 135 H TYR 20 H TYR 20 -0.571 5.696 1.798 136 HA TYR 20 HA TYR 20 -1.008 8.011 0.056 137 1HB TYR 20 2HB TYR 20 1.686 6.796 0.704 138 2HB TYR 20 1HB TYR 20 1.401 7.980 -0.566 139 HD1 TYR 20 1HD TYR 20 1.295 10.291 -0.074 140 HD2 TYR 20 2HD TYR 20 1.301 7.456 3.098 141 HE1 TYR 20 1HE TYR 20 1.629 12.112 1.545 142 HE2 TYR 20 2HE TYR 20 1.634 9.269 4.725 143 HH TYR 20 HH TYR 20 2.591 12.349 3.877 144 H VAL 21 H VAL 21 -1.607 7.406 -1.917 145 HA VAL 21 HA VAL 21 -2.079 4.821 -2.717 146 HB VAL 21 HB VAL 21 -1.322 7.010 -4.651 147 1HG1 VAL 21 1HG1 VAL 21 -3.476 4.992 -5.078 148 2HG1 VAL 21 2HG1 VAL 21 -1.792 4.520 -5.305 149 3HG1 VAL 21 3HG1 VAL 21 -2.474 5.838 -6.259 150 1HG2 VAL 21 1HG2 VAL 21 -2.892 8.123 -3.372 151 2HG2 VAL 21 2HG2 VAL 21 -3.780 6.648 -2.990 152 3HG2 VAL 21 3HG2 VAL 21 -3.904 7.359 -4.598 153 H LYS 22 H LYS 22 0.906 6.598 -2.808 154 HA LYS 22 HA LYS 22 2.306 4.981 -4.658 155 1HB LYS 22 2HB LYS 22 4.324 6.000 -3.749 156 2HB LYS 22 1HB LYS 22 3.078 7.220 -3.978 157 1HG LYS 22 2HG LYS 22 3.774 7.826 -1.914 158 2HG LYS 22 1HG LYS 22 2.574 6.623 -1.440 159 1HD LYS 22 2HD LYS 22 4.274 5.765 -0.235 160 2HD LYS 22 1HD LYS 22 4.753 5.053 -1.776 161 1HE LYS 22 2HE LYS 22 6.700 6.059 -0.922 162 2HE LYS 22 1HE LYS 22 6.108 7.163 -2.163 163 1HZ LYS 22 1HZ LYS 22 5.634 7.466 0.754 164 2HZ LYS 22 2HZ LYS 22 5.146 8.546 -0.454 165 3HZ LYS 22 3HZ LYS 22 6.792 8.320 -0.137 166 H THR 23 H THR 23 1.810 4.800 -1.176 167 HA THR 23 HA THR 23 3.645 2.696 -0.701 168 HB THR 23 HB THR 23 1.212 2.919 0.996 169 HG1 THR 23 1HG THR 23 1.617 4.904 1.660 170 1HG2 THR 23 1HG2 THR 23 4.131 2.984 1.714 171 2HG2 THR 23 2HG2 THR 23 3.136 1.529 1.666 172 3HG2 THR 23 3HG2 THR 23 2.766 2.814 2.817 173 H TYR 24 H TYR 24 0.205 2.784 -1.469 174 HA TYR 24 HA TYR 24 -0.269 0.014 -1.206 175 1HB TYR 24 2HB TYR 24 -2.003 1.858 -1.341 176 2HB TYR 24 1HB TYR 24 -1.719 1.889 -3.077 177 HD1 TYR 24 1HD TYR 24 -3.734 1.114 -3.974 178 HD2 TYR 24 2HD TYR 24 -1.892 -1.064 -0.817 179 HE1 TYR 24 1HE TYR 24 -5.369 -0.698 -4.278 180 HE2 TYR 24 2HE TYR 24 -3.520 -2.882 -1.112 181 HH TYR 24 HH TYR 24 -5.379 -3.274 -3.767 182 H LEU 25 H LEU 25 1.133 1.970 -3.702 183 HA LEU 25 HA LEU 25 0.909 0.008 -5.785 184 1HB LEU 25 2HB LEU 25 2.291 2.630 -5.447 185 2HB LEU 25 1HB LEU 25 2.858 1.557 -6.712 186 HG LEU 25 HG LEU 25 -0.059 2.162 -6.569 187 1HD1 LEU 25 1HD1 LEU 25 1.828 4.000 -8.000 188 2HD1 LEU 25 2HD1 LEU 25 1.309 4.315 -6.345 189 3HD1 LEU 25 3HD1 LEU 25 0.117 4.227 -7.642 190 1HD2 LEU 25 1HD2 LEU 25 1.948 1.364 -8.628 191 2HD2 LEU 25 2HD2 LEU 25 0.463 2.176 -9.123 192 3HD2 LEU 25 3HD2 LEU 25 0.382 0.647 -8.247 193 H ALA 26 H ALA 26 3.460 1.115 -3.598 194 HA ALA 26 HA ALA 26 5.480 -0.596 -4.519 195 1HB ALA 26 1HB ALA 26 6.008 1.311 -3.137 196 2HB ALA 26 2HB ALA 26 6.560 -0.159 -2.335 197 3HB ALA 26 3HB ALA 26 5.082 0.637 -1.796 198 H HIS 27 H HIS 27 2.830 -1.057 -2.273 199 HA HIS 27 HA HIS 27 3.768 -3.481 -1.132 200 1HB HIS 27 2HB HIS 27 2.063 -2.304 0.053 201 2HB HIS 27 1HB HIS 27 1.011 -2.266 -1.358 202 HD1 HIS 27 1HD HIS 27 2.434 -4.805 1.101 203 HD2 HIS 27 2HD HIS 27 -0.753 -4.304 -1.515 204 HE1 HIS 27 1HE HIS 27 0.927 -6.811 1.420 205 H LYS 28 H LYS 28 1.323 -2.857 -3.652 206 HA LYS 28 HA LYS 28 0.885 -5.542 -4.329 207 1HB LYS 28 2HB LYS 28 -0.286 -3.231 -5.041 208 2HB LYS 28 1HB LYS 28 0.682 -3.510 -6.482 209 1HG LYS 28 2HG LYS 28 -0.462 -5.435 -7.041 210 2HG LYS 28 1HG LYS 28 -1.030 -5.698 -5.391 211 1HD LYS 28 2HD LYS 28 -2.662 -4.020 -5.569 212 2HD LYS 28 1HD LYS 28 -1.909 -3.322 -7.004 213 1HE LYS 28 2HE LYS 28 -4.020 -4.667 -7.384 214 2HE LYS 28 1HE LYS 28 -2.625 -5.106 -8.369 215 1HZ LYS 28 1HZ LYS 28 -2.435 -7.101 -7.370 216 2HZ LYS 28 2HZ LYS 28 -4.078 -6.876 -7.037 217 3HZ LYS 28 3HZ LYS 28 -2.920 -6.532 -5.852 218 H GLN 29 H GLN 29 3.384 -3.296 -5.251 219 HA GLN 29 HA GLN 29 4.350 -4.950 -7.416 220 1HB GLN 29 2HB GLN 29 4.523 -2.294 -6.928 221 2HB GLN 29 1HB GLN 29 6.090 -2.822 -6.334 222 1HG GLN 29 2HG GLN 29 6.862 -3.303 -8.390 223 2HG GLN 29 1HG GLN 29 5.299 -3.885 -8.960 224 1HE2 GLN 29 1HE2 GLN 29 6.413 -2.537 -10.793 225 2HE2 GLN 29 2HE2 GLN 29 5.866 -0.902 -10.907 226 H PHE 30 H PHE 30 4.737 -4.895 -4.040 227 HA PHE 30 HA PHE 30 7.283 -6.359 -4.241 228 1HB PHE 30 2HB PHE 30 6.142 -4.547 -2.167 229 2HB PHE 30 1HB PHE 30 7.193 -5.855 -1.638 230 HD1 PHE 30 1HD PHE 30 7.261 -3.541 -4.565 231 HD2 PHE 30 2HD PHE 30 9.277 -5.047 -1.134 232 HE1 PHE 30 1HE PHE 30 9.229 -2.178 -5.130 233 HE2 PHE 30 2HE PHE 30 11.250 -3.686 -1.692 234 HZ PHE 30 HZ PHE 30 11.227 -2.250 -3.692 235 H TYR 31 H TYR 31 4.346 -6.293 -2.207 236 HA TYR 31 HA TYR 31 4.727 -8.989 -1.334 237 1HB TYR 31 2HB TYR 31 3.357 -6.885 -0.327 238 2HB TYR 31 1HB TYR 31 2.040 -7.781 -1.077 239 HD1 TYR 31 1HD TYR 31 4.438 -7.689 1.648 240 HD2 TYR 31 2HD TYR 31 1.523 -10.081 -0.321 241 HE1 TYR 31 1HE TYR 31 4.359 -9.184 3.597 242 HE2 TYR 31 2HE TYR 31 1.434 -11.584 1.624 243 HH TYR 31 HH TYR 31 2.891 -10.795 4.625 244 H HIS 32 H HIS 32 2.984 -7.458 -3.933 245 HA HIS 32 HA HIS 32 1.870 -10.080 -4.686 246 1HB HIS 32 2HB HIS 32 0.828 -7.323 -5.372 247 2HB HIS 32 1HB HIS 32 0.130 -8.843 -5.924 248 HD1 HIS 32 1HD HIS 32 -1.285 -10.186 -4.206 249 HD2 HIS 32 2HD HIS 32 0.334 -6.664 -2.708 250 HE1 HIS 32 1HE HIS 32 -2.443 -9.751 -1.998 251 H LYS 33 H LYS 33 4.395 -9.831 -5.391 252 HA LYS 33 HA LYS 33 4.249 -9.532 -8.285 253 1HB LYS 33 2HB LYS 33 5.846 -7.818 -6.487 254 2HB LYS 33 1HB LYS 33 6.709 -8.456 -7.879 255 1HG LYS 33 2HG LYS 33 4.157 -6.858 -7.960 256 2HG LYS 33 1HG LYS 33 5.774 -6.267 -8.354 257 1HD LYS 33 2HD LYS 33 5.656 -8.394 -9.991 258 2HD LYS 33 1HD LYS 33 3.942 -7.984 -9.915 259 1HE LYS 33 2HE LYS 33 5.813 -5.736 -10.330 260 2HE LYS 33 1HE LYS 33 5.660 -6.880 -11.663 261 1HZ LYS 33 1HZ LYS 33 3.120 -6.522 -11.166 262 2HZ LYS 33 2HZ LYS 33 3.977 -5.457 -12.161 263 3HZ LYS 33 3HZ LYS 33 3.672 -5.045 -10.550 264 H ASN 34 H ASN 34 4.209 -11.918 -7.579 265 HA ASN 34 HA ASN 34 5.224 -13.948 -7.307 266 1HB ASN 34 2HB ASN 34 7.015 -14.373 -8.924 267 2HB ASN 34 1HB ASN 34 5.721 -13.426 -9.651 268 1HD2 ASN 34 1HD2 ASN 34 9.029 -13.583 -8.899 269 2HD2 ASN 34 2HD2 ASN 34 9.480 -12.022 -9.486 270 H LYS 35 H LYS 35 5.681 -12.912 -5.024 271 HA LYS 35 HA LYS 35 8.366 -12.307 -4.349 272 1HB LYS 35 2HB LYS 35 7.615 -12.638 -2.010 273 2HB LYS 35 1HB LYS 35 6.554 -11.575 -2.924 274 1HG LYS 35 2HG LYS 35 5.329 -13.936 -3.341 275 2HG LYS 35 1HG LYS 35 6.033 -14.221 -1.748 276 1HD LYS 35 2HD LYS 35 4.738 -11.605 -2.059 277 2HD LYS 35 1HD LYS 35 3.646 -12.984 -2.201 278 1HE LYS 35 2HE LYS 35 5.571 -13.110 0.024 279 2HE LYS 35 1HE LYS 35 4.357 -11.837 0.144 280 1HZ LYS 35 1HZ LYS 35 2.838 -13.904 -0.557 281 2HZ LYS 35 2HZ LYS 35 3.152 -13.487 1.052 282 3HZ LYS 35 3HZ LYS 35 4.043 -14.718 0.308 283 HA PRO 36 HA PRO 36 10.221 -16.295 -4.063 284 1HB PRO 36 2HB PRO 36 11.949 -15.955 -1.998 285 2HB PRO 36 1HB PRO 36 12.202 -15.229 -3.590 286 1HG PRO 36 2HG PRO 36 11.090 -13.994 -1.099 287 2HG PRO 36 1HG PRO 36 12.252 -13.322 -2.258 288 1HD PRO 36 2HD PRO 36 9.629 -12.654 -2.274 289 2HD PRO 36 1HD PRO 36 10.605 -12.723 -3.755 Start of MODEL 15 1 1H GLY 1 1HT GLY 1 -12.515 0.594 -12.910 2 2H GLY 1 2HT GLY 1 -13.053 -0.128 -11.477 3 3H GLY 1 3HT GLY 1 -11.408 0.201 -11.692 4 1HA GLY 1 1HA GLY 1 -11.817 2.037 -10.506 5 2HA GLY 1 2HA GLY 1 -12.424 2.643 -12.039 6 H SER 2 H SER 2 -14.806 1.442 -12.353 7 HA SER 2 HA SER 2 -17.001 1.617 -11.785 8 1HB SER 2 2HB SER 2 -17.654 0.719 -9.725 9 2HB SER 2 1HB SER 2 -16.068 -0.007 -9.984 10 HG SER 2 HG SER 2 -16.011 0.765 -7.940 11 H ALA 3 H ALA 3 -15.557 4.030 -12.048 12 HA ALA 3 HA ALA 3 -15.800 6.267 -11.715 13 1HB ALA 3 1HB ALA 3 -18.304 5.700 -10.160 14 2HB ALA 3 2HB ALA 3 -18.239 5.523 -11.914 15 3HB ALA 3 3HB ALA 3 -17.922 7.092 -11.174 16 H ALA 4 H ALA 4 -14.378 7.202 -10.409 17 HA ALA 4 HA ALA 4 -13.317 7.951 -8.541 18 1HB ALA 4 1HB ALA 4 -15.742 8.658 -8.077 19 2HB ALA 4 2HB ALA 4 -14.612 8.628 -6.724 20 3HB ALA 4 3HB ALA 4 -15.768 7.313 -6.936 21 H GLU 5 H GLU 5 -13.258 7.212 -5.933 22 HA GLU 5 HA GLU 5 -13.435 4.631 -5.119 23 1HB GLU 5 2HB GLU 5 -11.323 4.925 -7.126 24 2HB GLU 5 1HB GLU 5 -10.749 4.211 -5.625 25 1HG GLU 5 2HG GLU 5 -13.264 3.108 -6.676 26 2HG GLU 5 1HG GLU 5 -11.827 2.811 -7.652 27 H VAL 6 H VAL 6 -13.679 6.555 -3.559 28 HA VAL 6 HA VAL 6 -11.466 7.863 -2.463 29 HB VAL 6 HB VAL 6 -13.789 8.538 -2.014 30 1HG1 VAL 6 1HG1 VAL 6 -13.990 6.304 -0.023 31 2HG1 VAL 6 2HG1 VAL 6 -14.538 6.107 -1.688 32 3HG1 VAL 6 3HG1 VAL 6 -15.266 7.341 -0.660 33 1HG2 VAL 6 1HG2 VAL 6 -12.613 9.626 -0.438 34 2HG2 VAL 6 2HG2 VAL 6 -11.749 8.173 0.064 35 3HG2 VAL 6 3HG2 VAL 6 -13.376 8.486 0.671 36 H MET 7 H MET 7 -12.957 4.765 -1.626 37 HA MET 7 HA MET 7 -11.256 4.282 0.615 38 1HB MET 7 2HB MET 7 -13.468 3.242 0.426 39 2HB MET 7 1HB MET 7 -12.943 2.364 -1.004 40 1HG MET 7 2HG MET 7 -11.578 0.944 0.207 41 2HG MET 7 1HG MET 7 -11.481 2.045 1.579 42 1HE MET 7 1HE MET 7 -12.747 1.929 3.559 43 2HE MET 7 2HE MET 7 -14.345 1.220 3.792 44 3HE MET 7 3HE MET 7 -14.163 2.688 2.830 45 H LYS 8 H LYS 8 -9.332 4.937 -0.830 46 HA LYS 8 HA LYS 8 -8.277 2.606 -2.264 47 1HB LYS 8 2HB LYS 8 -6.721 4.126 -3.333 48 2HB LYS 8 1HB LYS 8 -8.358 4.740 -3.513 49 1HG LYS 8 2HG LYS 8 -7.967 6.562 -2.227 50 2HG LYS 8 1HG LYS 8 -6.820 5.717 -1.184 51 1HD LYS 8 2HD LYS 8 -5.547 7.292 -2.397 52 2HD LYS 8 1HD LYS 8 -5.229 5.732 -3.157 53 1HE LYS 8 2HE LYS 8 -7.482 7.313 -4.243 54 2HE LYS 8 1HE LYS 8 -5.861 7.937 -4.541 55 1HZ LYS 8 1HZ LYS 8 -5.521 5.382 -5.175 56 2HZ LYS 8 2HZ LYS 8 -5.990 6.557 -6.297 57 3HZ LYS 8 3HZ LYS 8 -7.154 5.555 -5.588 58 H LYS 9 H LYS 9 -5.689 2.730 -2.146 59 HA LYS 9 HA LYS 9 -3.865 2.227 -0.888 60 1HB LYS 9 2HB LYS 9 -4.878 4.104 1.226 61 2HB LYS 9 1HB LYS 9 -3.222 3.782 0.743 62 1HG LYS 9 2HG LYS 9 -3.256 5.324 -0.880 63 2HG LYS 9 1HG LYS 9 -4.902 4.923 -1.370 64 1HD LYS 9 2HD LYS 9 -5.408 6.922 -0.466 65 2HD LYS 9 1HD LYS 9 -5.344 6.041 1.062 66 1HE LYS 9 2HE LYS 9 -3.479 7.096 1.723 67 2HE LYS 9 1HE LYS 9 -2.736 6.978 0.128 68 1HZ LYS 9 1HZ LYS 9 -3.365 9.281 1.077 69 2HZ LYS 9 2HZ LYS 9 -4.932 8.884 0.582 70 3HZ LYS 9 3HZ LYS 9 -3.679 8.947 -0.552 71 H TYR 10 H TYR 10 -5.790 0.362 -0.639 72 HA TYR 10 HA TYR 10 -5.279 -0.673 2.010 73 1HB TYR 10 2HB TYR 10 -7.461 0.764 2.020 74 2HB TYR 10 1HB TYR 10 -8.162 -0.614 1.177 75 HD1 TYR 10 1HD TYR 10 -7.701 0.817 4.309 76 HD2 TYR 10 2HD TYR 10 -7.570 -2.961 2.355 77 HE1 TYR 10 1HE TYR 10 -8.072 -0.304 6.465 78 HE2 TYR 10 2HE TYR 10 -7.942 -4.092 4.507 79 HH TYR 10 HH TYR 10 -7.414 -2.922 7.317 80 H CYS 11 H CYS 11 -4.872 -2.790 1.847 81 HA CYS 11 HA CYS 11 -5.419 -4.118 -0.668 82 1HB CYS 11 2HB CYS 11 -3.230 -4.324 0.604 83 2HB CYS 11 1HB CYS 11 -4.093 -5.342 1.748 84 H SER 12 H SER 12 -7.043 -5.426 -1.066 85 HA SER 12 HA SER 12 -8.928 -6.077 1.036 86 1HB SER 12 2HB SER 12 -10.331 -6.932 -0.831 87 2HB SER 12 1HB SER 12 -9.824 -5.260 -1.068 88 HG SER 12 HG SER 12 -9.236 -6.049 -2.946 89 H THR 13 H THR 13 -6.204 -7.422 0.693 90 HA THR 13 HA THR 13 -7.217 -10.158 0.898 91 HB THR 13 HB THR 13 -4.693 -9.344 -0.551 92 HG1 THR 13 1HG THR 13 -6.738 -8.974 -1.654 93 1HG2 THR 13 1HG2 THR 13 -4.137 -11.505 -0.854 94 2HG2 THR 13 2HG2 THR 13 -5.813 -12.056 -0.838 95 3HG2 THR 13 3HG2 THR 13 -4.989 -11.692 0.679 96 H CYS 14 H CYS 14 -4.748 -7.796 1.726 97 HA CYS 14 HA CYS 14 -3.725 -9.600 3.805 98 1HB CYS 14 2HB CYS 14 -2.598 -6.963 2.849 99 2HB CYS 14 1HB CYS 14 -1.835 -8.067 3.986 100 H ASP 15 H ASP 15 -6.081 -7.342 3.535 101 HA ASP 15 HA ASP 15 -7.205 -5.986 4.963 102 1HB ASP 15 2HB ASP 15 -5.921 -7.836 6.980 103 2HB ASP 15 1HB ASP 15 -7.238 -6.724 7.333 104 H ILE 16 H ILE 16 -4.746 -4.993 4.094 105 HA ILE 16 HA ILE 16 -3.781 -3.523 6.460 106 HB ILE 16 HB ILE 16 -2.241 -3.754 3.889 107 1HG1 ILE 16 2HG1 ILE 16 -2.706 -6.039 4.702 108 2HG1 ILE 16 1HG1 ILE 16 -1.001 -5.629 4.841 109 1HG2 ILE 16 1HG2 ILE 16 -0.349 -3.464 5.618 110 2HG2 ILE 16 2HG2 ILE 16 -1.635 -2.940 6.705 111 3HG2 ILE 16 3HG2 ILE 16 -1.339 -2.065 5.203 112 1HD1 ILE 16 1HD1 ILE 16 -1.820 -6.842 6.792 113 2HD1 ILE 16 2HD1 ILE 16 -2.998 -5.564 7.089 114 3HD1 ILE 16 3HD1 ILE 16 -1.273 -5.219 7.214 115 H SER 17 H SER 17 -3.066 -1.285 6.023 116 HA SER 17 HA SER 17 -4.546 -0.039 3.808 117 1HB SER 17 2HB SER 17 -5.625 0.148 6.168 118 2HB SER 17 1HB SER 17 -4.336 1.308 6.490 119 HG SER 17 HG SER 17 -6.141 2.392 5.701 120 H PHE 18 H PHE 18 -3.776 2.161 3.291 121 HA PHE 18 HA PHE 18 -1.021 2.701 4.090 122 1HB PHE 18 2HB PHE 18 -2.012 2.412 1.250 123 2HB PHE 18 1HB PHE 18 -0.474 3.147 1.675 124 HD1 PHE 18 1HD PHE 18 1.243 1.731 2.875 125 HD2 PHE 18 2HD PHE 18 -2.246 0.101 1.067 126 HE1 PHE 18 1HE PHE 18 2.289 -0.496 2.872 127 HE2 PHE 18 2HE PHE 18 -1.208 -2.129 1.060 128 HZ PHE 18 HZ PHE 18 1.062 -2.430 1.963 129 H ASN 19 H ASN 19 -0.542 4.838 4.228 130 HA ASN 19 HA ASN 19 -2.763 6.694 3.917 131 1HB ASN 19 2HB ASN 19 -0.195 6.686 5.413 132 2HB ASN 19 1HB ASN 19 -0.825 8.252 4.915 133 1HD2 ASN 19 1HD2 ASN 19 -1.109 8.774 7.117 134 2HD2 ASN 19 2HD2 ASN 19 -2.454 8.158 8.010 135 H TYR 20 H TYR 20 -0.825 5.539 1.733 136 HA TYR 20 HA TYR 20 -0.810 7.957 0.163 137 1HB TYR 20 2HB TYR 20 1.721 6.624 1.077 138 2HB TYR 20 1HB TYR 20 1.666 7.486 -0.455 139 HD1 TYR 20 1HD TYR 20 0.186 9.859 -0.003 140 HD2 TYR 20 2HD TYR 20 2.819 7.863 2.678 141 HE1 TYR 20 1HE TYR 20 0.586 11.981 1.174 142 HE2 TYR 20 2HE TYR 20 3.226 9.980 3.863 143 HH TYR 20 HH TYR 20 2.216 13.009 2.614 144 H VAL 21 H VAL 21 -1.476 7.417 -1.805 145 HA VAL 21 HA VAL 21 -2.062 4.860 -2.650 146 HB VAL 21 HB VAL 21 -1.286 7.051 -4.571 147 1HG1 VAL 21 1HG1 VAL 21 -2.586 5.965 -6.133 148 2HG1 VAL 21 2HG1 VAL 21 -3.554 5.139 -4.912 149 3HG1 VAL 21 3HG1 VAL 21 -1.905 4.606 -5.240 150 1HG2 VAL 21 1HG2 VAL 21 -3.957 7.344 -4.328 151 2HG2 VAL 21 2HG2 VAL 21 -2.779 8.310 -3.438 152 3HG2 VAL 21 3HG2 VAL 21 -3.535 6.914 -2.669 153 H LYS 22 H LYS 22 0.964 6.570 -2.798 154 HA LYS 22 HA LYS 22 2.265 4.944 -4.711 155 1HB LYS 22 2HB LYS 22 3.499 6.482 -2.417 156 2HB LYS 22 1HB LYS 22 4.335 5.905 -3.851 157 1HG LYS 22 2HG LYS 22 3.413 7.514 -5.207 158 2HG LYS 22 1HG LYS 22 2.012 7.745 -4.160 159 1HD LYS 22 2HD LYS 22 3.094 9.210 -2.806 160 2HD LYS 22 1HD LYS 22 4.653 8.405 -3.004 161 1HE LYS 22 2HE LYS 22 3.351 10.004 -5.195 162 2HE LYS 22 1HE LYS 22 4.444 10.721 -4.011 163 1HZ LYS 22 1HZ LYS 22 5.026 8.883 -6.206 164 2HZ LYS 22 2HZ LYS 22 5.946 8.718 -4.797 165 3HZ LYS 22 3HZ LYS 22 5.926 10.193 -5.624 166 H THR 23 H THR 23 1.935 4.753 -1.204 167 HA THR 23 HA THR 23 3.708 2.572 -0.858 168 HB THR 23 HB THR 23 1.404 2.948 0.999 169 HG1 THR 23 1HG THR 23 3.552 4.789 0.829 170 1HG2 THR 23 1HG2 THR 23 3.176 2.810 2.704 171 2HG2 THR 23 2HG2 THR 23 4.361 2.594 1.416 172 3HG2 THR 23 3HG2 THR 23 3.099 1.387 1.666 173 H TYR 24 H TYR 24 0.234 2.817 -1.406 174 HA TYR 24 HA TYR 24 -0.362 0.082 -1.073 175 1HB TYR 24 2HB TYR 24 -2.030 1.964 -1.160 176 2HB TYR 24 1HB TYR 24 -1.781 2.028 -2.901 177 HD1 TYR 24 1HD TYR 24 -3.849 1.363 -3.769 178 HD2 TYR 24 2HD TYR 24 -2.027 -0.972 -0.716 179 HE1 TYR 24 1HE TYR 24 -5.564 -0.372 -4.080 180 HE2 TYR 24 2HE TYR 24 -3.735 -2.714 -1.019 181 HH TYR 24 HH TYR 24 -5.383 -3.291 -3.346 182 H LEU 25 H LEU 25 0.965 1.935 -3.698 183 HA LEU 25 HA LEU 25 0.615 -0.106 -5.690 184 1HB LEU 25 2HB LEU 25 2.144 2.473 -5.545 185 2HB LEU 25 1HB LEU 25 2.429 1.351 -6.863 186 HG LEU 25 HG LEU 25 -0.385 2.147 -6.315 187 1HD1 LEU 25 1HD1 LEU 25 0.238 4.321 -6.329 188 2HD1 LEU 25 2HD1 LEU 25 0.267 4.052 -8.073 189 3HD1 LEU 25 3HD1 LEU 25 1.767 3.993 -7.147 190 1HD2 LEU 25 1HD2 LEU 25 -0.142 2.227 -8.939 191 2HD2 LEU 25 2HD2 LEU 25 -0.319 0.698 -8.079 192 3HD2 LEU 25 3HD2 LEU 25 1.276 1.234 -8.605 193 H ALA 26 H ALA 26 3.227 1.033 -3.615 194 HA ALA 26 HA ALA 26 5.239 -0.664 -4.577 195 1HB ALA 26 1HB ALA 26 5.201 1.384 -2.835 196 2HB ALA 26 2HB ALA 26 6.537 0.240 -2.963 197 3HB ALA 26 3HB ALA 26 5.312 0.029 -1.712 198 H HIS 27 H HIS 27 2.639 -1.158 -2.275 199 HA HIS 27 HA HIS 27 3.689 -3.583 -1.189 200 1HB HIS 27 2HB HIS 27 2.123 -2.413 0.170 201 2HB HIS 27 1HB HIS 27 0.944 -2.328 -1.135 202 HD1 HIS 27 1HD HIS 27 2.418 -4.800 1.324 203 HD2 HIS 27 2HD HIS 27 -0.735 -4.475 -1.360 204 HE1 HIS 27 1HE HIS 27 0.965 -6.839 1.683 205 H LYS 28 H LYS 28 1.343 -2.814 -3.727 206 HA LYS 28 HA LYS 28 0.692 -5.538 -4.266 207 1HB LYS 28 2HB LYS 28 -0.544 -3.249 -4.853 208 2HB LYS 28 1HB LYS 28 0.332 -3.458 -6.364 209 1HG LYS 28 2HG LYS 28 -0.669 -5.870 -6.266 210 2HG LYS 28 1HG LYS 28 -1.844 -5.114 -5.188 211 1HD LYS 28 2HD LYS 28 -1.171 -4.064 -7.931 212 2HD LYS 28 1HD LYS 28 -2.506 -5.171 -7.608 213 1HE LYS 28 2HE LYS 28 -3.775 -3.568 -6.648 214 2HE LYS 28 1HE LYS 28 -2.391 -2.777 -5.896 215 1HZ LYS 28 1HZ LYS 28 -2.097 -1.422 -7.654 216 2HZ LYS 28 2HZ LYS 28 -3.736 -1.735 -7.928 217 3HZ LYS 28 3HZ LYS 28 -2.557 -2.587 -8.791 218 H GLN 29 H GLN 29 3.180 -3.366 -5.334 219 HA GLN 29 HA GLN 29 3.896 -4.985 -7.621 220 1HB GLN 29 2HB GLN 29 4.581 -2.350 -6.582 221 2HB GLN 29 1HB GLN 29 5.984 -3.219 -7.188 222 1HG GLN 29 2HG GLN 29 5.167 -1.968 -8.997 223 2HG GLN 29 1HG GLN 29 4.665 -3.632 -9.297 224 1HE2 GLN 29 1HE2 GLN 29 3.677 -0.481 -9.276 225 2HE2 GLN 29 2HE2 GLN 29 1.968 -0.721 -9.200 226 H PHE 30 H PHE 30 4.787 -4.783 -4.278 227 HA PHE 30 HA PHE 30 7.068 -6.576 -4.801 228 1HB PHE 30 2HB PHE 30 6.674 -4.357 -2.875 229 2HB PHE 30 1HB PHE 30 7.561 -5.760 -2.288 230 HD1 PHE 30 1HD PHE 30 7.599 -2.903 -4.540 231 HD2 PHE 30 2HD PHE 30 9.700 -6.382 -3.277 232 HE1 PHE 30 1HE PHE 30 9.637 -2.063 -5.632 233 HE2 PHE 30 2HE PHE 30 11.743 -5.548 -4.366 234 HZ PHE 30 HZ PHE 30 11.713 -3.386 -5.545 235 H TYR 31 H TYR 31 4.449 -5.931 -2.480 236 HA TYR 31 HA TYR 31 4.818 -8.410 -1.107 237 1HB TYR 31 2HB TYR 31 3.607 -6.085 -0.450 238 2HB TYR 31 1HB TYR 31 2.201 -7.049 -0.893 239 HD1 TYR 31 1HD TYR 31 4.799 -6.498 1.571 240 HD2 TYR 31 2HD TYR 31 1.710 -9.152 0.340 241 HE1 TYR 31 1HE TYR 31 4.843 -7.566 3.786 242 HE2 TYR 31 2HE TYR 31 1.744 -10.227 2.552 243 HH TYR 31 HH TYR 31 2.420 -9.762 4.816 244 H HIS 32 H HIS 32 3.509 -7.758 -4.109 245 HA HIS 32 HA HIS 32 2.059 -10.304 -4.050 246 1HB HIS 32 2HB HIS 32 1.003 -7.686 -5.107 247 2HB HIS 32 1HB HIS 32 0.336 -9.241 -5.593 248 HD1 HIS 32 1HD HIS 32 -1.166 -10.465 -3.880 249 HD2 HIS 32 2HD HIS 32 0.490 -6.929 -2.456 250 HE1 HIS 32 1HE HIS 32 -2.368 -9.935 -1.716 251 H LYS 33 H LYS 33 4.672 -9.133 -5.154 252 HA LYS 33 HA LYS 33 4.952 -10.756 -7.368 253 1HB LYS 33 2HB LYS 33 5.049 -8.970 -9.184 254 2HB LYS 33 1HB LYS 33 3.450 -9.476 -8.660 255 1HG LYS 33 2HG LYS 33 3.809 -7.404 -7.008 256 2HG LYS 33 1HG LYS 33 4.814 -6.877 -8.360 257 1HD LYS 33 2HD LYS 33 1.926 -7.731 -8.550 258 2HD LYS 33 1HD LYS 33 2.505 -6.064 -8.559 259 1HE LYS 33 2HE LYS 33 3.033 -8.203 -10.612 260 2HE LYS 33 1HE LYS 33 2.098 -6.723 -10.822 261 1HZ LYS 33 1HZ LYS 33 5.021 -7.040 -10.582 262 2HZ LYS 33 2HZ LYS 33 4.285 -5.559 -10.231 263 3HZ LYS 33 3HZ LYS 33 4.135 -6.231 -11.776 264 H ASN 34 H ASN 34 6.773 -10.816 -5.787 265 HA ASN 34 HA ASN 34 8.762 -8.711 -6.287 266 1HB ASN 34 2HB ASN 34 7.966 -9.671 -3.903 267 2HB ASN 34 1HB ASN 34 9.278 -10.796 -4.240 268 1HD2 ASN 34 1HD2 ASN 34 9.525 -9.221 -2.101 269 2HD2 ASN 34 2HD2 ASN 34 10.698 -7.983 -2.373 270 H LYS 35 H LYS 35 8.178 -10.742 -8.239 271 HA LYS 35 HA LYS 35 9.984 -12.881 -8.204 272 1HB LYS 35 2HB LYS 35 8.754 -11.375 -10.515 273 2HB LYS 35 1HB LYS 35 9.700 -12.845 -10.707 274 1HG LYS 35 2HG LYS 35 8.017 -13.876 -9.047 275 2HG LYS 35 1HG LYS 35 7.009 -12.485 -9.454 276 1HD LYS 35 2HD LYS 35 8.187 -13.911 -11.746 277 2HD LYS 35 1HD LYS 35 6.997 -14.824 -10.816 278 1HE LYS 35 2HE LYS 35 6.095 -13.472 -12.752 279 2HE LYS 35 1HE LYS 35 5.318 -13.206 -11.192 280 1HZ LYS 35 1HZ LYS 35 7.515 -11.474 -12.151 281 2HZ LYS 35 2HZ LYS 35 6.381 -11.157 -10.938 282 3HZ LYS 35 3HZ LYS 35 5.901 -11.171 -12.559 283 HA PRO 36 HA PRO 36 13.906 -11.000 -8.944 284 1HB PRO 36 2HB PRO 36 15.185 -12.989 -10.277 285 2HB PRO 36 1HB PRO 36 14.840 -13.064 -8.545 286 1HG PRO 36 2HG PRO 36 13.361 -14.315 -10.828 287 2HG PRO 36 1HG PRO 36 13.792 -15.015 -9.256 288 1HD PRO 36 2HD PRO 36 11.315 -14.061 -9.798 289 2HD PRO 36 1HD PRO 36 12.033 -13.986 -8.176 Start of MODEL 16 1 1H GLY 1 1HT GLY 1 -16.041 -4.273 -13.776 2 2H GLY 1 2HT GLY 1 -17.367 -4.719 -12.825 3 3H GLY 1 3HT GLY 1 -17.390 -5.001 -14.492 4 1HA GLY 1 1HA GLY 1 -16.935 -7.082 -13.576 5 2HA GLY 1 2HA GLY 1 -15.391 -6.475 -14.154 6 H SER 2 H SER 2 -14.017 -5.361 -12.533 7 HA SER 2 HA SER 2 -14.165 -6.808 -9.991 8 1HB SER 2 2HB SER 2 -11.927 -5.453 -11.479 9 2HB SER 2 1HB SER 2 -11.765 -5.863 -9.771 10 HG SER 2 HG SER 2 -12.438 -8.055 -10.496 11 H ALA 3 H ALA 3 -15.918 -4.598 -10.427 12 HA ALA 3 HA ALA 3 -16.700 -2.749 -9.355 13 1HB ALA 3 1HB ALA 3 -15.377 -2.343 -7.062 14 2HB ALA 3 2HB ALA 3 -14.910 -4.015 -7.373 15 3HB ALA 3 3HB ALA 3 -16.615 -3.584 -7.253 16 H ALA 4 H ALA 4 -14.526 -2.500 -11.281 17 HA ALA 4 HA ALA 4 -13.284 -0.821 -12.192 18 1HB ALA 4 1HB ALA 4 -13.596 1.413 -11.493 19 2HB ALA 4 2HB ALA 4 -14.057 0.920 -9.864 20 3HB ALA 4 3HB ALA 4 -15.139 0.603 -11.220 21 H GLU 5 H GLU 5 -12.933 -0.246 -8.689 22 HA GLU 5 HA GLU 5 -10.577 -1.485 -8.155 23 1HB GLU 5 2HB GLU 5 -8.948 0.516 -8.369 24 2HB GLU 5 1HB GLU 5 -9.303 -0.433 -9.805 25 1HG GLU 5 2HG GLU 5 -10.545 1.237 -10.773 26 2HG GLU 5 1HG GLU 5 -10.931 1.992 -9.227 27 H VAL 6 H VAL 6 -12.374 -1.208 -6.452 28 HA VAL 6 HA VAL 6 -12.690 1.151 -4.993 29 HB VAL 6 HB VAL 6 -14.154 -0.811 -4.734 30 1HG1 VAL 6 1HG1 VAL 6 -12.686 -2.649 -4.783 31 2HG1 VAL 6 2HG1 VAL 6 -13.343 -2.618 -3.147 32 3HG1 VAL 6 3HG1 VAL 6 -11.716 -2.014 -3.455 33 1HG2 VAL 6 1HG2 VAL 6 -13.787 1.016 -2.947 34 2HG2 VAL 6 2HG2 VAL 6 -12.971 -0.256 -2.040 35 3HG2 VAL 6 3HG2 VAL 6 -14.663 -0.447 -2.497 36 H MET 7 H MET 7 -11.897 1.656 -2.827 37 HA MET 7 HA MET 7 -10.256 2.049 -1.302 38 1HB MET 7 2HB MET 7 -8.940 -0.502 -2.229 39 2HB MET 7 1HB MET 7 -8.780 0.286 -0.665 40 1HG MET 7 2HG MET 7 -11.210 -1.111 -1.752 41 2HG MET 7 1HG MET 7 -10.169 -1.649 -0.436 42 1HE MET 7 1HE MET 7 -12.058 -2.105 1.034 43 2HE MET 7 2HE MET 7 -12.702 -0.886 2.133 44 3HE MET 7 3HE MET 7 -10.973 -1.229 2.113 45 H LYS 8 H LYS 8 -8.774 3.574 -1.543 46 HA LYS 8 HA LYS 8 -7.279 3.748 -4.024 47 1HB LYS 8 2HB LYS 8 -6.700 5.977 -3.334 48 2HB LYS 8 1HB LYS 8 -8.415 5.735 -3.034 49 1HG LYS 8 2HG LYS 8 -7.171 4.983 -0.662 50 2HG LYS 8 1HG LYS 8 -6.301 6.421 -1.198 51 1HD LYS 8 2HD LYS 8 -8.018 7.338 0.043 52 2HD LYS 8 1HD LYS 8 -8.686 7.388 -1.590 53 1HE LYS 8 2HE LYS 8 -9.209 4.901 -0.119 54 2HE LYS 8 1HE LYS 8 -9.952 6.339 0.578 55 1HZ LYS 8 1HZ LYS 8 -11.373 6.534 -1.128 56 2HZ LYS 8 2HZ LYS 8 -11.044 4.895 -1.383 57 3HZ LYS 8 3HZ LYS 8 -10.236 6.071 -2.292 58 H LYS 9 H LYS 9 -6.745 2.975 -0.674 59 HA LYS 9 HA LYS 9 -4.093 2.018 -1.282 60 1HB LYS 9 2HB LYS 9 -3.674 3.538 1.067 61 2HB LYS 9 1HB LYS 9 -2.919 3.749 -0.503 62 1HG LYS 9 2HG LYS 9 -4.693 5.269 -1.172 63 2HG LYS 9 1HG LYS 9 -5.500 5.026 0.379 64 1HD LYS 9 2HD LYS 9 -3.987 6.300 1.519 65 2HD LYS 9 1HD LYS 9 -2.663 5.901 0.423 66 1HE LYS 9 2HE LYS 9 -2.952 7.886 -0.535 67 2HE LYS 9 1HE LYS 9 -4.511 7.313 -1.126 68 1HZ LYS 9 1HZ LYS 9 -4.856 9.336 0.049 69 2HZ LYS 9 2HZ LYS 9 -3.988 8.788 1.393 70 3HZ LYS 9 3HZ LYS 9 -5.479 8.088 1.008 71 H TYR 10 H TYR 10 -5.837 0.294 -0.739 72 HA TYR 10 HA TYR 10 -5.237 -0.652 1.931 73 1HB TYR 10 2HB TYR 10 -7.337 0.760 2.124 74 2HB TYR 10 1HB TYR 10 -8.132 -0.421 1.088 75 HD1 TYR 10 1HD TYR 10 -7.589 0.514 4.398 76 HD2 TYR 10 2HD TYR 10 -7.818 -2.947 1.935 77 HE1 TYR 10 1HE TYR 10 -8.111 -0.850 6.376 78 HE2 TYR 10 2HE TYR 10 -8.340 -4.322 3.906 79 HH TYR 10 HH TYR 10 -8.004 -3.155 7.103 80 H CYS 11 H CYS 11 -4.844 -2.778 1.825 81 HA CYS 11 HA CYS 11 -5.462 -4.173 -0.637 82 1HB CYS 11 2HB CYS 11 -3.244 -4.350 0.606 83 2HB CYS 11 1HB CYS 11 -4.091 -5.365 1.768 84 H SER 12 H SER 12 -7.139 -5.421 -0.960 85 HA SER 12 HA SER 12 -8.938 -6.061 1.221 86 1HB SER 12 2HB SER 12 -9.106 -6.026 -1.746 87 2HB SER 12 1HB SER 12 -10.155 -7.163 -0.899 88 HG SER 12 HG SER 12 -10.017 -4.353 -0.544 89 H THR 13 H THR 13 -6.251 -7.429 0.764 90 HA THR 13 HA THR 13 -7.276 -10.159 0.977 91 HB THR 13 HB THR 13 -4.795 -9.350 -0.545 92 HG1 THR 13 1HG THR 13 -6.589 -8.894 -1.773 93 1HG2 THR 13 1HG2 THR 13 -5.653 -11.900 0.491 94 2HG2 THR 13 2HG2 THR 13 -4.133 -11.444 -0.280 95 3HG2 THR 13 3HG2 THR 13 -5.514 -11.923 -1.267 96 H CYS 14 H CYS 14 -4.767 -7.819 1.743 97 HA CYS 14 HA CYS 14 -3.687 -9.648 3.772 98 1HB CYS 14 2HB CYS 14 -2.578 -7.013 2.784 99 2HB CYS 14 1HB CYS 14 -1.789 -8.110 3.910 100 H ASP 15 H ASP 15 -6.051 -7.399 3.605 101 HA ASP 15 HA ASP 15 -7.126 -6.051 5.080 102 1HB ASP 15 2HB ASP 15 -5.759 -7.903 7.039 103 2HB ASP 15 1HB ASP 15 -7.069 -6.802 7.444 104 H ILE 16 H ILE 16 -4.791 -4.950 4.116 105 HA ILE 16 HA ILE 16 -3.739 -3.512 6.464 106 HB ILE 16 HB ILE 16 -2.247 -3.741 3.866 107 1HG1 ILE 16 2HG1 ILE 16 -2.679 -6.028 4.686 108 2HG1 ILE 16 1HG1 ILE 16 -0.976 -5.605 4.803 109 1HG2 ILE 16 1HG2 ILE 16 -1.576 -2.940 6.674 110 2HG2 ILE 16 2HG2 ILE 16 -1.351 -2.037 5.177 111 3HG2 ILE 16 3HG2 ILE 16 -0.321 -3.423 5.534 112 1HD1 ILE 16 1HD1 ILE 16 -2.908 -5.459 7.101 113 2HD1 ILE 16 2HD1 ILE 16 -1.155 -5.274 7.161 114 3HD1 ILE 16 3HD1 ILE 16 -1.863 -6.839 6.761 115 H SER 17 H SER 17 -3.048 -1.273 6.011 116 HA SER 17 HA SER 17 -4.588 -0.040 3.828 117 1HB SER 17 2HB SER 17 -4.720 1.913 5.679 118 2HB SER 17 1HB SER 17 -5.959 0.669 5.513 119 HG SER 17 HG SER 17 -5.151 -0.387 7.245 120 H PHE 18 H PHE 18 -3.842 2.191 3.321 121 HA PHE 18 HA PHE 18 -1.061 2.709 4.028 122 1HB PHE 18 2HB PHE 18 -2.140 2.426 1.222 123 2HB PHE 18 1HB PHE 18 -0.599 3.183 1.594 124 HD1 PHE 18 1HD PHE 18 1.065 1.737 2.985 125 HD2 PHE 18 2HD PHE 18 -2.236 0.168 0.805 126 HE1 PHE 18 1HE PHE 18 2.140 -0.477 2.957 127 HE2 PHE 18 2HE PHE 18 -1.169 -2.047 0.775 128 HZ PHE 18 HZ PHE 18 1.021 -2.373 1.852 129 H ASN 19 H ASN 19 -0.556 4.840 4.151 130 HA ASN 19 HA ASN 19 -2.758 6.709 4.092 131 1HB ASN 19 2HB ASN 19 0.030 6.718 5.128 132 2HB ASN 19 1HB ASN 19 -0.687 8.277 4.732 133 1HD2 ASN 19 1HD2 ASN 19 -0.772 5.532 6.831 134 2HD2 ASN 19 2HD2 ASN 19 -1.869 6.190 7.992 135 H TYR 20 H TYR 20 -0.198 5.783 2.001 136 HA TYR 20 HA TYR 20 -0.821 8.066 0.253 137 1HB TYR 20 2HB TYR 20 1.823 6.977 1.089 138 2HB TYR 20 1HB TYR 20 1.659 7.554 -0.567 139 HD1 TYR 20 1HD TYR 20 2.036 9.795 -1.010 140 HD2 TYR 20 2HD TYR 20 0.972 8.632 2.942 141 HE1 TYR 20 1HE TYR 20 2.386 12.105 -0.241 142 HE2 TYR 20 2HE TYR 20 1.318 10.940 3.721 143 HH TYR 20 HH TYR 20 2.841 13.324 1.786 144 H VAL 21 H VAL 21 -1.417 7.558 -1.764 145 HA VAL 21 HA VAL 21 -2.097 4.995 -2.544 146 HB VAL 21 HB VAL 21 -1.329 7.223 -4.435 147 1HG1 VAL 21 1HG1 VAL 21 -3.140 6.112 -5.829 148 2HG1 VAL 21 2HG1 VAL 21 -3.010 4.748 -4.718 149 3HG1 VAL 21 3HG1 VAL 21 -1.614 5.242 -5.676 150 1HG2 VAL 21 1HG2 VAL 21 -3.816 7.711 -4.368 151 2HG2 VAL 21 2HG2 VAL 21 -2.888 8.181 -2.943 152 3HG2 VAL 21 3HG2 VAL 21 -3.873 6.718 -2.912 153 H LYS 22 H LYS 22 0.960 6.649 -2.796 154 HA LYS 22 HA LYS 22 2.188 4.960 -4.700 155 1HB LYS 22 2HB LYS 22 3.198 6.856 -2.608 156 2HB LYS 22 1HB LYS 22 4.328 5.806 -3.454 157 1HG LYS 22 2HG LYS 22 4.141 6.938 -5.399 158 2HG LYS 22 1HG LYS 22 2.440 7.328 -5.138 159 1HD LYS 22 2HD LYS 22 2.931 9.180 -3.837 160 2HD LYS 22 1HD LYS 22 4.539 8.586 -3.420 161 1HE LYS 22 2HE LYS 22 4.065 9.086 -6.284 162 2HE LYS 22 1HE LYS 22 4.064 10.515 -5.251 163 1HZ LYS 22 1HZ LYS 22 6.235 9.491 -4.337 164 2HZ LYS 22 2HZ LYS 22 6.269 10.308 -5.818 165 3HZ LYS 22 3HZ LYS 22 6.248 8.616 -5.787 166 H THR 23 H THR 23 1.730 4.741 -1.236 167 HA THR 23 HA THR 23 3.569 2.610 -0.826 168 HB THR 23 HB THR 23 1.242 2.845 0.991 169 HG1 THR 23 1HG THR 23 1.361 4.943 0.956 170 1HG2 THR 23 1HG2 THR 23 4.199 2.969 1.518 171 2HG2 THR 23 2HG2 THR 23 3.211 1.511 1.589 172 3HG2 THR 23 3HG2 THR 23 2.917 2.831 2.721 173 H TYR 24 H TYR 24 0.102 2.787 -1.454 174 HA TYR 24 HA TYR 24 -0.460 0.047 -1.149 175 1HB TYR 24 2HB TYR 24 -2.178 1.847 -1.286 176 2HB TYR 24 1HB TYR 24 -1.823 2.014 -3.000 177 HD1 TYR 24 1HD TYR 24 -3.635 1.229 -4.205 178 HD2 TYR 24 2HD TYR 24 -2.300 -0.992 -0.831 179 HE1 TYR 24 1HE TYR 24 -5.276 -0.529 -4.720 180 HE2 TYR 24 2HE TYR 24 -3.936 -2.755 -1.336 181 HH TYR 24 HH TYR 24 -5.300 -3.272 -4.070 182 H LEU 25 H LEU 25 0.908 1.919 -3.740 183 HA LEU 25 HA LEU 25 0.681 -0.145 -5.728 184 1HB LEU 25 2HB LEU 25 2.324 2.385 -5.602 185 2HB LEU 25 1HB LEU 25 2.315 1.305 -6.983 186 HG LEU 25 HG LEU 25 -0.095 2.779 -5.918 187 1HD1 LEU 25 1HD1 LEU 25 0.196 4.375 -7.527 188 2HD1 LEU 25 2HD1 LEU 25 1.131 3.308 -8.575 189 3HD1 LEU 25 3HD1 LEU 25 1.878 4.013 -7.141 190 1HD2 LEU 25 1HD2 LEU 25 -0.817 2.034 -8.361 191 2HD2 LEU 25 2HD2 LEU 25 -1.078 1.007 -6.951 192 3HD2 LEU 25 3HD2 LEU 25 0.302 0.715 -8.011 193 H ALA 26 H ALA 26 3.181 1.071 -3.565 194 HA ALA 26 HA ALA 26 5.280 -0.558 -4.455 195 1HB ALA 26 1HB ALA 26 5.391 1.478 -2.925 196 2HB ALA 26 2HB ALA 26 6.455 0.125 -2.543 197 3HB ALA 26 3HB ALA 26 4.974 0.371 -1.618 198 H HIS 27 H HIS 27 2.602 -1.147 -2.272 199 HA HIS 27 HA HIS 27 3.683 -3.543 -1.147 200 1HB HIS 27 2HB HIS 27 2.031 -2.417 0.143 201 2HB HIS 27 1HB HIS 27 0.901 -2.372 -1.207 202 HD1 HIS 27 1HD HIS 27 2.427 -4.867 1.222 203 HD2 HIS 27 2HD HIS 27 -0.781 -4.490 -1.388 204 HE1 HIS 27 1HE HIS 27 0.977 -6.909 1.576 205 H LYS 28 H LYS 28 1.451 -2.828 -3.799 206 HA LYS 28 HA LYS 28 0.892 -5.571 -4.372 207 1HB LYS 28 2HB LYS 28 -0.427 -3.380 -4.993 208 2HB LYS 28 1HB LYS 28 0.593 -3.416 -6.425 209 1HG LYS 28 2HG LYS 28 -0.267 -5.953 -6.434 210 2HG LYS 28 1HG LYS 28 -1.637 -5.176 -5.638 211 1HD LYS 28 2HD LYS 28 -1.205 -3.449 -7.671 212 2HD LYS 28 1HD LYS 28 -0.686 -4.961 -8.419 213 1HE LYS 28 2HE LYS 28 -2.870 -5.186 -8.903 214 2HE LYS 28 1HE LYS 28 -2.985 -5.750 -7.237 215 1HZ LYS 28 1HZ LYS 28 -4.571 -4.156 -7.186 216 2HZ LYS 28 2HZ LYS 28 -3.864 -3.229 -8.411 217 3HZ LYS 28 3HZ LYS 28 -3.247 -3.161 -6.837 218 H GLN 29 H GLN 29 3.358 -3.313 -5.319 219 HA GLN 29 HA GLN 29 4.253 -4.920 -7.553 220 1HB GLN 29 2HB GLN 29 4.415 -2.279 -7.064 221 2HB GLN 29 1HB GLN 29 5.992 -2.781 -6.472 222 1HG GLN 29 2HG GLN 29 4.901 -3.326 -9.223 223 2HG GLN 29 1HG GLN 29 6.070 -2.074 -8.806 224 1HE2 GLN 29 1HE2 GLN 29 5.840 -4.948 -10.213 225 2HE2 GLN 29 2HE2 GLN 29 7.386 -5.622 -9.837 226 H PHE 30 H PHE 30 4.848 -4.803 -4.173 227 HA PHE 30 HA PHE 30 7.298 -6.399 -4.539 228 1HB PHE 30 2HB PHE 30 6.520 -4.361 -2.516 229 2HB PHE 30 1HB PHE 30 7.509 -5.709 -1.973 230 HD1 PHE 30 1HD PHE 30 7.510 -2.517 -3.504 231 HD2 PHE 30 2HD PHE 30 9.657 -6.186 -3.314 232 HE1 PHE 30 1HE PHE 30 9.518 -1.381 -4.358 233 HE2 PHE 30 2HE PHE 30 11.669 -5.058 -4.168 234 HZ PHE 30 HZ PHE 30 11.602 -2.653 -4.692 235 H TYR 31 H TYR 31 4.396 -6.067 -2.506 236 HA TYR 31 HA TYR 31 4.791 -8.590 -1.218 237 1HB TYR 31 2HB TYR 31 3.354 -6.405 -0.573 238 2HB TYR 31 1HB TYR 31 2.077 -7.397 -1.271 239 HD1 TYR 31 1HD TYR 31 4.609 -7.217 1.410 240 HD2 TYR 31 2HD TYR 31 1.227 -9.303 -0.114 241 HE1 TYR 31 1HE TYR 31 4.418 -8.448 3.531 242 HE2 TYR 31 2HE TYR 31 1.027 -10.538 2.003 243 HH TYR 31 HH TYR 31 3.473 -10.539 4.370 244 H HIS 32 H HIS 32 2.781 -7.442 -3.891 245 HA HIS 32 HA HIS 32 1.947 -10.220 -4.382 246 1HB HIS 32 2HB HIS 32 0.685 -7.632 -5.310 247 2HB HIS 32 1HB HIS 32 0.107 -9.243 -5.724 248 HD1 HIS 32 1HD HIS 32 -1.403 -10.397 -4.021 249 HD2 HIS 32 2HD HIS 32 0.379 -6.939 -2.559 250 HE1 HIS 32 1HE HIS 32 -2.515 -9.905 -1.799 251 H LYS 33 H LYS 33 4.468 -9.735 -5.157 252 HA LYS 33 HA LYS 33 4.288 -10.030 -8.024 253 1HB LYS 33 2HB LYS 33 5.236 -7.558 -6.782 254 2HB LYS 33 1HB LYS 33 6.408 -8.261 -7.888 255 1HG LYS 33 2HG LYS 33 3.639 -8.125 -8.877 256 2HG LYS 33 1HG LYS 33 4.455 -6.579 -8.640 257 1HD LYS 33 2HD LYS 33 5.203 -6.971 -10.737 258 2HD LYS 33 1HD LYS 33 6.404 -7.951 -9.894 259 1HE LYS 33 2HE LYS 33 3.840 -9.267 -10.565 260 2HE LYS 33 1HE LYS 33 4.908 -8.878 -11.913 261 1HZ LYS 33 1HZ LYS 33 5.888 -10.312 -9.520 262 2HZ LYS 33 2HZ LYS 33 6.591 -10.227 -11.056 263 3HZ LYS 33 3HZ LYS 33 5.184 -11.135 -10.820 264 H ASN 34 H ASN 34 4.922 -11.892 -6.109 265 HA ASN 34 HA ASN 34 7.470 -12.788 -7.017 266 1HB ASN 34 2HB ASN 34 8.128 -11.128 -5.251 267 2HB ASN 34 1HB ASN 34 7.285 -12.128 -4.071 268 1HD2 ASN 34 1HD2 ASN 34 10.192 -11.531 -5.592 269 2HD2 ASN 34 2HD2 ASN 34 11.031 -12.969 -5.134 270 H LYS 35 H LYS 35 5.888 -14.432 -7.609 271 HA LYS 35 HA LYS 35 4.940 -16.486 -7.377 272 1HB LYS 35 2HB LYS 35 6.498 -16.650 -4.794 273 2HB LYS 35 1HB LYS 35 5.865 -17.995 -5.732 274 1HG LYS 35 2HG LYS 35 7.461 -17.741 -7.406 275 2HG LYS 35 1HG LYS 35 7.847 -16.090 -6.916 276 1HD LYS 35 2HD LYS 35 8.719 -17.065 -4.756 277 2HD LYS 35 1HD LYS 35 8.558 -18.655 -5.505 278 1HE LYS 35 2HE LYS 35 10.802 -18.022 -5.841 279 2HE LYS 35 1HE LYS 35 9.997 -17.758 -7.388 280 1HZ LYS 35 1HZ LYS 35 11.260 -15.852 -7.057 281 2HZ LYS 35 2HZ LYS 35 10.884 -15.751 -5.411 282 3HZ LYS 35 3HZ LYS 35 9.711 -15.375 -6.570 283 HA PRO 36 HA PRO 36 1.775 -14.760 -4.463 284 1HB PRO 36 2HB PRO 36 -0.321 -15.063 -6.159 285 2HB PRO 36 1HB PRO 36 0.729 -13.640 -6.177 286 1HG PRO 36 2HG PRO 36 0.777 -16.050 -7.952 287 2HG PRO 36 1HG PRO 36 0.953 -14.339 -8.384 288 1HD PRO 36 2HD PRO 36 3.072 -16.009 -8.146 289 2HD PRO 36 1HD PRO 36 3.170 -14.279 -7.756 Start of MODEL 17 1 1H GLY 1 1HT GLY 1 -19.207 6.892 -9.471 2 2H GLY 1 2HT GLY 1 -17.636 7.477 -9.254 3 3H GLY 1 3HT GLY 1 -17.890 6.026 -10.085 4 1HA GLY 1 1HA GLY 1 -18.919 8.645 -11.017 5 2HA GLY 1 2HA GLY 1 -17.377 7.979 -11.531 6 H SER 2 H SER 2 -18.195 8.031 -13.698 7 HA SER 2 HA SER 2 -20.310 6.098 -14.301 8 1HB SER 2 2HB SER 2 -20.113 8.549 -15.261 9 2HB SER 2 1HB SER 2 -19.011 7.784 -16.405 10 HG SER 2 HG SER 2 -21.053 7.682 -17.270 11 H ALA 3 H ALA 3 -17.676 5.232 -13.455 12 HA ALA 3 HA ALA 3 -17.224 3.205 -15.361 13 1HB ALA 3 1HB ALA 3 -16.132 4.642 -16.804 14 2HB ALA 3 2HB ALA 3 -14.796 3.991 -15.855 15 3HB ALA 3 3HB ALA 3 -15.434 5.595 -15.495 16 H ALA 4 H ALA 4 -17.611 3.439 -12.552 17 HA ALA 4 HA ALA 4 -16.854 2.554 -10.598 18 1HB ALA 4 1HB ALA 4 -14.706 1.218 -12.228 19 2HB ALA 4 2HB ALA 4 -16.371 0.642 -12.161 20 3HB ALA 4 3HB ALA 4 -15.394 0.686 -10.694 21 H GLU 5 H GLU 5 -14.982 2.498 -9.077 22 HA GLU 5 HA GLU 5 -12.512 3.582 -9.368 23 1HB GLU 5 2HB GLU 5 -14.568 5.658 -9.578 24 2HB GLU 5 1HB GLU 5 -13.372 5.999 -8.336 25 1HG GLU 5 2HG GLU 5 -12.396 5.133 -10.999 26 2HG GLU 5 1HG GLU 5 -13.052 6.762 -10.841 27 H VAL 6 H VAL 6 -13.007 1.774 -7.730 28 HA VAL 6 HA VAL 6 -13.358 2.984 -5.063 29 HB VAL 6 HB VAL 6 -13.914 0.108 -5.797 30 1HG1 VAL 6 1HG1 VAL 6 -15.079 1.324 -3.383 31 2HG1 VAL 6 2HG1 VAL 6 -13.328 1.107 -3.357 32 3HG1 VAL 6 3HG1 VAL 6 -14.385 -0.279 -3.628 33 1HG2 VAL 6 1HG2 VAL 6 -16.057 0.589 -6.272 34 2HG2 VAL 6 2HG2 VAL 6 -15.443 2.212 -6.588 35 3HG2 VAL 6 3HG2 VAL 6 -16.160 1.831 -5.023 36 H MET 7 H MET 7 -11.084 3.444 -5.025 37 HA MET 7 HA MET 7 -9.555 1.499 -3.701 38 1HB MET 7 2HB MET 7 -7.802 1.094 -5.389 39 2HB MET 7 1HB MET 7 -9.359 0.436 -5.878 40 1HG MET 7 2HG MET 7 -9.549 1.825 -7.636 41 2HG MET 7 1HG MET 7 -8.783 3.171 -6.796 42 1HE MET 7 1HE MET 7 -5.480 3.386 -8.378 43 2HE MET 7 2HE MET 7 -6.325 3.764 -6.877 44 3HE MET 7 3HE MET 7 -7.085 4.115 -8.429 45 H LYS 8 H LYS 8 -7.754 2.384 -2.747 46 HA LYS 8 HA LYS 8 -6.745 4.948 -3.655 47 1HB LYS 8 2HB LYS 8 -8.748 5.302 -2.066 48 2HB LYS 8 1HB LYS 8 -7.669 4.735 -0.800 49 1HG LYS 8 2HG LYS 8 -6.159 6.554 -1.181 50 2HG LYS 8 1HG LYS 8 -7.066 7.066 -2.605 51 1HD LYS 8 2HD LYS 8 -8.226 6.971 0.175 52 2HD LYS 8 1HD LYS 8 -7.495 8.414 -0.531 53 1HE LYS 8 2HE LYS 8 -9.129 8.343 -2.354 54 2HE LYS 8 1HE LYS 8 -9.859 6.904 -1.643 55 1HZ LYS 8 1HZ LYS 8 -10.043 9.688 -0.802 56 2HZ LYS 8 2HZ LYS 8 -9.987 8.528 0.428 57 3HZ LYS 8 3HZ LYS 8 -11.205 8.459 -0.742 58 H LYS 9 H LYS 9 -6.667 2.945 -0.701 59 HA LYS 9 HA LYS 9 -4.005 2.061 -1.139 60 1HB LYS 9 2HB LYS 9 -3.354 3.340 1.153 61 2HB LYS 9 1HB LYS 9 -2.960 3.941 -0.449 62 1HG LYS 9 2HG LYS 9 -3.906 5.672 1.011 63 2HG LYS 9 1HG LYS 9 -4.893 5.385 -0.421 64 1HD LYS 9 2HD LYS 9 -6.556 4.295 0.793 65 2HD LYS 9 1HD LYS 9 -5.479 3.963 2.150 66 1HE LYS 9 2HE LYS 9 -5.455 6.319 2.737 67 2HE LYS 9 1HE LYS 9 -6.463 6.697 1.340 68 1HZ LYS 9 1HZ LYS 9 -7.538 6.421 3.660 69 2HZ LYS 9 2HZ LYS 9 -7.418 4.764 3.341 70 3HZ LYS 9 3HZ LYS 9 -8.309 5.761 2.305 71 H TYR 10 H TYR 10 -5.742 0.336 -0.719 72 HA TYR 10 HA TYR 10 -5.308 -0.650 1.960 73 1HB TYR 10 2HB TYR 10 -7.348 0.719 2.226 74 2HB TYR 10 1HB TYR 10 -8.128 -0.209 0.951 75 HD1 TYR 10 1HD TYR 10 -7.638 0.076 4.433 76 HD2 TYR 10 2HD TYR 10 -8.248 -2.796 1.355 77 HE1 TYR 10 1HE TYR 10 -8.429 -1.541 6.108 78 HE2 TYR 10 2HE TYR 10 -9.041 -4.422 3.021 79 HH TYR 10 HH TYR 10 -9.929 -3.593 6.121 80 H CYS 11 H CYS 11 -4.899 -2.770 1.820 81 HA CYS 11 HA CYS 11 -5.442 -4.131 -0.678 82 1HB CYS 11 2HB CYS 11 -3.263 -4.330 0.619 83 2HB CYS 11 1HB CYS 11 -4.143 -5.339 1.761 84 H SER 12 H SER 12 -7.083 -5.420 -1.068 85 HA SER 12 HA SER 12 -8.977 -6.038 1.036 86 1HB SER 12 2HB SER 12 -10.496 -6.627 -0.694 87 2HB SER 12 1HB SER 12 -9.619 -5.216 -1.287 88 HG SER 12 HG SER 12 -9.757 -6.868 -2.865 89 H THR 13 H THR 13 -6.263 -7.409 0.709 90 HA THR 13 HA THR 13 -7.298 -10.134 0.937 91 HB THR 13 HB THR 13 -4.769 -9.350 -0.518 92 HG1 THR 13 1HG THR 13 -7.299 -10.230 -1.422 93 1HG2 THR 13 1HG2 THR 13 -4.919 -11.780 -1.283 94 2HG2 THR 13 2HG2 THR 13 -5.965 -12.018 0.117 95 3HG2 THR 13 3HG2 THR 13 -4.306 -11.461 0.340 96 H CYS 14 H CYS 14 -4.813 -7.784 1.744 97 HA CYS 14 HA CYS 14 -3.803 -9.570 3.844 98 1HB CYS 14 2HB CYS 14 -2.669 -6.947 2.857 99 2HB CYS 14 1HB CYS 14 -1.913 -8.030 4.019 100 H ASP 15 H ASP 15 -6.139 -7.284 3.534 101 HA ASP 15 HA ASP 15 -7.264 -5.912 4.945 102 1HB ASP 15 2HB ASP 15 -6.013 -7.759 6.984 103 2HB ASP 15 1HB ASP 15 -7.322 -6.632 7.319 104 H ILE 16 H ILE 16 -4.794 -4.946 4.085 105 HA ILE 16 HA ILE 16 -3.841 -3.458 6.445 106 HB ILE 16 HB ILE 16 -2.259 -3.752 3.906 107 1HG1 ILE 16 2HG1 ILE 16 -2.766 -6.018 4.734 108 2HG1 ILE 16 1HG1 ILE 16 -1.061 -5.627 4.915 109 1HG2 ILE 16 1HG2 ILE 16 -1.409 -2.036 5.256 110 2HG2 ILE 16 2HG2 ILE 16 -0.384 -3.428 5.605 111 3HG2 ILE 16 3HG2 ILE 16 -1.652 -2.962 6.737 112 1HD1 ILE 16 1HD1 ILE 16 -1.878 -6.790 6.865 113 2HD1 ILE 16 2HD1 ILE 16 -3.137 -5.576 7.090 114 3HD1 ILE 16 3HD1 ILE 16 -1.441 -5.135 7.284 115 H SER 17 H SER 17 -3.093 -1.243 5.996 116 HA SER 17 HA SER 17 -4.477 0.001 3.721 117 1HB SER 17 2HB SER 17 -4.710 1.957 5.572 118 2HB SER 17 1HB SER 17 -5.962 0.749 5.283 119 HG SER 17 HG SER 17 -5.090 -0.466 7.001 120 H PHE 18 H PHE 18 -3.624 2.134 3.148 121 HA PHE 18 HA PHE 18 -0.893 2.611 4.086 122 1HB PHE 18 2HB PHE 18 -1.810 2.436 1.213 123 2HB PHE 18 1HB PHE 18 -0.263 3.104 1.705 124 HD1 PHE 18 1HD PHE 18 1.443 1.636 2.732 125 HD2 PHE 18 2HD PHE 18 -2.196 0.103 1.146 126 HE1 PHE 18 1HE PHE 18 2.411 -0.627 2.704 127 HE2 PHE 18 2HE PHE 18 -1.236 -2.161 1.114 128 HZ PHE 18 HZ PHE 18 1.071 -2.529 1.895 129 H ASN 19 H ASN 19 -0.393 4.696 4.397 130 HA ASN 19 HA ASN 19 -2.464 6.646 4.333 131 1HB ASN 19 2HB ASN 19 -0.818 8.124 5.307 132 2HB ASN 19 1HB ASN 19 -0.699 6.548 6.071 133 1HD2 ASN 19 1HD2 ASN 19 0.927 8.978 4.364 134 2HD2 ASN 19 2HD2 ASN 19 2.442 8.168 4.176 135 H TYR 20 H TYR 20 -0.356 5.538 1.969 136 HA TYR 20 HA TYR 20 -0.920 7.877 0.311 137 1HB TYR 20 2HB TYR 20 1.766 6.899 1.106 138 2HB TYR 20 1HB TYR 20 1.562 7.367 -0.579 139 HD1 TYR 20 1HD TYR 20 -0.273 9.647 -0.373 140 HD2 TYR 20 2HD TYR 20 3.042 8.585 2.074 141 HE1 TYR 20 1HE TYR 20 0.018 12.008 0.246 142 HE2 TYR 20 2HE TYR 20 3.343 10.944 2.700 143 HH TYR 20 HH TYR 20 1.730 13.495 1.086 144 H VAL 21 H VAL 21 -1.503 7.377 -1.715 145 HA VAL 21 HA VAL 21 -2.161 4.784 -2.464 146 HB VAL 21 HB VAL 21 -1.528 7.017 -4.395 147 1HG1 VAL 21 1HG1 VAL 21 -2.136 4.458 -4.969 148 2HG1 VAL 21 2HG1 VAL 21 -2.590 5.824 -5.989 149 3HG1 VAL 21 3HG1 VAL 21 -3.757 5.143 -4.855 150 1HG2 VAL 21 1HG2 VAL 21 -4.192 7.171 -4.104 151 2HG2 VAL 21 2HG2 VAL 21 -3.059 8.147 -3.168 152 3HG2 VAL 21 3HG2 VAL 21 -3.743 6.679 -2.471 153 H LYS 22 H LYS 22 0.825 6.547 -2.830 154 HA LYS 22 HA LYS 22 2.036 4.900 -4.782 155 1HB LYS 22 2HB LYS 22 3.211 6.679 -2.642 156 2HB LYS 22 1HB LYS 22 4.186 5.850 -3.848 157 1HG LYS 22 2HG LYS 22 3.949 7.746 -5.010 158 2HG LYS 22 1HG LYS 22 2.365 7.089 -5.426 159 1HD LYS 22 2HD LYS 22 1.818 8.267 -3.049 160 2HD LYS 22 1HD LYS 22 3.085 9.332 -3.660 161 1HE LYS 22 2HE LYS 22 1.851 9.843 -5.607 162 2HE LYS 22 1HE LYS 22 0.715 8.524 -5.324 163 1HZ LYS 22 1HZ LYS 22 0.796 11.187 -4.159 164 2HZ LYS 22 2HZ LYS 22 0.367 9.934 -3.107 165 3HZ LYS 22 3HZ LYS 22 -0.532 10.199 -4.515 166 H THR 23 H THR 23 1.761 4.686 -1.290 167 HA THR 23 HA THR 23 3.660 2.576 -1.006 168 HB THR 23 HB THR 23 1.490 2.792 0.990 169 HG1 THR 23 1HG THR 23 1.854 4.813 1.544 170 1HG2 THR 23 1HG2 THR 23 3.546 1.515 1.421 171 2HG2 THR 23 2HG2 THR 23 3.292 2.822 2.578 172 3HG2 THR 23 3HG2 THR 23 4.474 3.008 1.283 173 H TYR 24 H TYR 24 0.165 2.749 -1.402 174 HA TYR 24 HA TYR 24 -0.398 0.020 -1.029 175 1HB TYR 24 2HB TYR 24 -2.122 1.789 -1.079 176 2HB TYR 24 1HB TYR 24 -1.833 2.008 -2.799 177 HD1 TYR 24 1HD TYR 24 -3.743 1.297 -3.906 178 HD2 TYR 24 2HD TYR 24 -2.179 -1.099 -0.758 179 HE1 TYR 24 1HE TYR 24 -5.407 -0.442 -4.411 180 HE2 TYR 24 2HE TYR 24 -3.837 -2.845 -1.255 181 HH TYR 24 HH TYR 24 -5.404 -3.180 -3.952 182 H LEU 25 H LEU 25 0.818 1.851 -3.724 183 HA LEU 25 HA LEU 25 0.468 -0.234 -5.668 184 1HB LEU 25 2HB LEU 25 1.838 2.418 -5.594 185 2HB LEU 25 1HB LEU 25 2.295 1.280 -6.846 186 HG LEU 25 HG LEU 25 -0.576 2.058 -6.408 187 1HD1 LEU 25 1HD1 LEU 25 0.663 4.119 -6.755 188 2HD1 LEU 25 2HD1 LEU 25 -0.300 3.725 -8.180 189 3HD1 LEU 25 3HD1 LEU 25 1.440 3.430 -8.181 190 1HD2 LEU 25 1HD2 LEU 25 -0.311 1.577 -9.026 191 2HD2 LEU 25 2HD2 LEU 25 -0.671 0.313 -7.850 192 3HD2 LEU 25 3HD2 LEU 25 0.984 0.546 -8.414 193 H ALA 26 H ALA 26 3.103 1.002 -3.680 194 HA ALA 26 HA ALA 26 5.136 -0.658 -4.661 195 1HB ALA 26 1HB ALA 26 5.146 1.408 -3.000 196 2HB ALA 26 2HB ALA 26 6.444 0.213 -3.011 197 3HB ALA 26 3HB ALA 26 5.168 0.120 -1.797 198 H HIS 27 H HIS 27 2.566 -1.208 -2.350 199 HA HIS 27 HA HIS 27 3.683 -3.590 -1.232 200 1HB HIS 27 2HB HIS 27 2.090 -2.456 0.112 201 2HB HIS 27 1HB HIS 27 0.914 -2.394 -1.197 202 HD1 HIS 27 1HD HIS 27 2.450 -4.877 1.228 203 HD2 HIS 27 2HD HIS 27 -0.783 -4.513 -1.353 204 HE1 HIS 27 1HE HIS 27 0.987 -6.901 1.629 205 H LYS 28 H LYS 28 1.431 -2.891 -3.858 206 HA LYS 28 HA LYS 28 0.777 -5.627 -4.354 207 1HB LYS 28 2HB LYS 28 -0.506 -3.450 -5.015 208 2HB LYS 28 1HB LYS 28 0.536 -3.479 -6.430 209 1HG LYS 28 2HG LYS 28 -0.844 -6.002 -5.783 210 2HG LYS 28 1HG LYS 28 -1.860 -4.666 -6.329 211 1HD LYS 28 2HD LYS 28 0.631 -5.317 -7.837 212 2HD LYS 28 1HD LYS 28 -0.798 -6.328 -8.056 213 1HE LYS 28 2HE LYS 28 -1.893 -3.865 -8.262 214 2HE LYS 28 1HE LYS 28 -0.283 -3.558 -8.912 215 1HZ LYS 28 1HZ LYS 28 -2.390 -5.335 -9.938 216 2HZ LYS 28 2HZ LYS 28 -0.771 -5.679 -10.287 217 3HZ LYS 28 3HZ LYS 28 -1.444 -4.204 -10.768 218 H GLN 29 H GLN 29 3.179 -3.379 -5.571 219 HA GLN 29 HA GLN 29 4.079 -5.210 -7.625 220 1HB GLN 29 2HB GLN 29 4.118 -2.532 -7.501 221 2HB GLN 29 1HB GLN 29 5.725 -2.860 -6.867 222 1HG GLN 29 2HG GLN 29 5.679 -4.477 -9.043 223 2HG GLN 29 1HG GLN 29 4.673 -3.135 -9.586 224 1HE2 GLN 29 1HE2 GLN 29 5.892 -1.049 -8.231 225 2HE2 GLN 29 2HE2 GLN 29 7.478 -0.812 -8.874 226 H PHE 30 H PHE 30 4.778 -4.600 -4.318 227 HA PHE 30 HA PHE 30 7.353 -6.001 -4.537 228 1HB PHE 30 2HB PHE 30 7.311 -3.780 -3.387 229 2HB PHE 30 1HB PHE 30 6.257 -4.482 -2.163 230 HD1 PHE 30 1HD PHE 30 9.620 -3.936 -3.189 231 HD2 PHE 30 2HD PHE 30 7.139 -6.493 -0.860 232 HE1 PHE 30 1HE PHE 30 11.594 -4.706 -1.936 233 HE2 PHE 30 2HE PHE 30 9.108 -7.266 0.396 234 HZ PHE 30 HZ PHE 30 11.338 -6.372 -0.141 235 H TYR 31 H TYR 31 4.423 -5.932 -2.501 236 HA TYR 31 HA TYR 31 5.059 -8.416 -1.231 237 1HB TYR 31 2HB TYR 31 3.493 -6.385 -0.493 238 2HB TYR 31 1HB TYR 31 2.263 -7.396 -1.243 239 HD1 TYR 31 1HD TYR 31 4.930 -7.422 1.346 240 HD2 TYR 31 2HD TYR 31 1.340 -9.208 -0.077 241 HE1 TYR 31 1HE TYR 31 4.788 -8.762 3.403 242 HE2 TYR 31 2HE TYR 31 1.187 -10.552 1.977 243 HH TYR 31 HH TYR 31 2.741 -9.911 4.715 244 H HIS 32 H HIS 32 2.638 -7.442 -3.654 245 HA HIS 32 HA HIS 32 2.057 -10.258 -4.182 246 1HB HIS 32 2HB HIS 32 0.724 -7.743 -5.205 247 2HB HIS 32 1HB HIS 32 0.200 -9.383 -5.567 248 HD1 HIS 32 1HD HIS 32 -1.282 -10.530 -3.836 249 HD2 HIS 32 2HD HIS 32 0.362 -6.960 -2.490 250 HE1 HIS 32 1HE HIS 32 -2.431 -9.998 -1.644 251 H LYS 33 H LYS 33 4.603 -9.478 -4.945 252 HA LYS 33 HA LYS 33 4.642 -10.277 -7.657 253 1HB LYS 33 2HB LYS 33 4.768 -7.373 -7.074 254 2HB LYS 33 1HB LYS 33 5.942 -7.986 -8.231 255 1HG LYS 33 2HG LYS 33 3.716 -9.138 -9.191 256 2HG LYS 33 1HG LYS 33 3.021 -7.684 -8.469 257 1HD LYS 33 2HD LYS 33 5.432 -7.074 -9.946 258 2HD LYS 33 1HD LYS 33 4.253 -7.905 -10.963 259 1HE LYS 33 2HE LYS 33 3.116 -5.805 -9.264 260 2HE LYS 33 1HE LYS 33 4.281 -5.223 -10.453 261 1HZ LYS 33 1HZ LYS 33 1.941 -5.280 -11.241 262 2HZ LYS 33 2HZ LYS 33 1.978 -6.968 -11.128 263 3HZ LYS 33 3HZ LYS 33 3.009 -6.170 -12.206 264 H ASN 34 H ASN 34 5.834 -11.259 -5.392 265 HA ASN 34 HA ASN 34 8.552 -11.415 -6.193 266 1HB ASN 34 2HB ASN 34 8.556 -9.203 -5.015 267 2HB ASN 34 1HB ASN 34 8.070 -10.038 -3.542 268 1HD2 ASN 34 1HD2 ASN 34 9.631 -10.654 -2.238 269 2HD2 ASN 34 2HD2 ASN 34 11.289 -10.874 -2.668 270 H LYS 35 H LYS 35 6.730 -13.371 -5.923 271 HA LYS 35 HA LYS 35 6.405 -15.435 -5.028 272 1HB LYS 35 2HB LYS 35 8.860 -15.558 -5.101 273 2HB LYS 35 1HB LYS 35 8.945 -14.815 -3.510 274 1HG LYS 35 2HG LYS 35 7.376 -16.876 -2.903 275 2HG LYS 35 1HG LYS 35 8.226 -17.577 -4.282 276 1HD LYS 35 2HD LYS 35 9.761 -18.139 -2.729 277 2HD LYS 35 1HD LYS 35 10.292 -16.468 -2.933 278 1HE LYS 35 2HE LYS 35 10.026 -17.101 -0.564 279 2HE LYS 35 1HE LYS 35 8.965 -15.774 -1.037 280 1HZ LYS 35 1HZ LYS 35 7.850 -18.447 -1.279 281 2HZ LYS 35 2HZ LYS 35 7.129 -17.017 -0.732 282 3HZ LYS 35 3HZ LYS 35 8.130 -17.907 0.301 283 HA PRO 36 HA PRO 36 4.453 -13.537 -1.284 284 1HB PRO 36 2HB PRO 36 1.962 -14.479 -1.799 285 2HB PRO 36 1HB PRO 36 2.578 -12.974 -2.490 286 1HG PRO 36 2HG PRO 36 2.403 -15.695 -3.727 287 2HG PRO 36 1HG PRO 36 2.014 -14.116 -4.436 288 1HD PRO 36 2HD PRO 36 4.344 -15.402 -4.933 289 2HD PRO 36 1HD PRO 36 4.222 -13.632 -4.883 Start of MODEL 18 1 1H GLY 1 1HT GLY 1 -10.044 -7.460 -8.699 2 2H GLY 1 2HT GLY 1 -11.410 -6.493 -8.453 3 3H GLY 1 3HT GLY 1 -10.595 -6.443 -9.934 4 1HA GLY 1 1HA GLY 1 -11.641 -9.023 -9.034 5 2HA GLY 1 2HA GLY 1 -12.789 -7.834 -9.628 6 H SER 2 H SER 2 -13.356 -8.799 -11.521 7 HA SER 2 HA SER 2 -11.215 -9.496 -13.404 8 1HB SER 2 2HB SER 2 -12.802 -11.286 -13.035 9 2HB SER 2 1HB SER 2 -14.156 -10.211 -13.386 10 HG SER 2 HG SER 2 -13.748 -11.350 -15.235 11 H ALA 3 H ALA 3 -11.933 -6.749 -12.857 12 HA ALA 3 HA ALA 3 -12.198 -5.832 -15.546 13 1HB ALA 3 1HB ALA 3 -14.292 -4.859 -15.556 14 2HB ALA 3 2HB ALA 3 -14.415 -4.858 -13.796 15 3HB ALA 3 3HB ALA 3 -14.595 -6.367 -14.692 16 H ALA 4 H ALA 4 -10.361 -5.567 -13.336 17 HA ALA 4 HA ALA 4 -9.046 -3.991 -12.353 18 1HB ALA 4 1HB ALA 4 -8.574 -2.173 -13.611 19 2HB ALA 4 2HB ALA 4 -10.270 -1.727 -13.799 20 3HB ALA 4 3HB ALA 4 -9.580 -3.011 -14.793 21 H GLU 5 H GLU 5 -9.041 -2.270 -10.794 22 HA GLU 5 HA GLU 5 -11.052 -0.663 -9.936 23 1HB GLU 5 2HB GLU 5 -11.646 -3.462 -9.311 24 2HB GLU 5 1HB GLU 5 -11.682 -2.419 -7.897 25 1HG GLU 5 2HG GLU 5 -13.106 -1.506 -10.333 26 2HG GLU 5 1HG GLU 5 -13.813 -2.823 -9.396 27 H VAL 6 H VAL 6 -8.651 -0.032 -9.756 28 HA VAL 6 HA VAL 6 -7.212 -0.929 -7.454 29 HB VAL 6 HB VAL 6 -6.739 1.609 -9.017 30 1HG1 VAL 6 1HG1 VAL 6 -5.171 0.023 -7.037 31 2HG1 VAL 6 2HG1 VAL 6 -5.379 1.770 -7.170 32 3HG1 VAL 6 3HG1 VAL 6 -4.321 0.919 -8.296 33 1HG2 VAL 6 1HG2 VAL 6 -6.150 -1.232 -9.665 34 2HG2 VAL 6 2HG2 VAL 6 -4.945 -0.014 -10.082 35 3HG2 VAL 6 3HG2 VAL 6 -6.580 0.106 -10.731 36 H MET 7 H MET 7 -7.748 -0.444 -5.438 37 HA MET 7 HA MET 7 -9.483 1.740 -4.791 38 1HB MET 7 2HB MET 7 -7.883 0.008 -2.901 39 2HB MET 7 1HB MET 7 -9.293 0.980 -2.504 40 1HG MET 7 2HG MET 7 -10.743 -0.538 -3.317 41 2HG MET 7 1HG MET 7 -9.665 -1.033 -4.622 42 1HE MET 7 1HE MET 7 -9.123 -3.987 -4.276 43 2HE MET 7 2HE MET 7 -7.577 -3.723 -3.469 44 3HE MET 7 3HE MET 7 -8.135 -2.589 -4.698 45 H LYS 8 H LYS 8 -8.833 3.173 -2.849 46 HA LYS 8 HA LYS 8 -6.845 4.942 -3.675 47 1HB LYS 8 2HB LYS 8 -8.746 5.455 -2.118 48 2HB LYS 8 1HB LYS 8 -7.862 4.621 -0.847 49 1HG LYS 8 2HG LYS 8 -6.360 6.304 -0.595 50 2HG LYS 8 1HG LYS 8 -6.443 6.784 -2.290 51 1HD LYS 8 2HD LYS 8 -8.898 7.170 -0.691 52 2HD LYS 8 1HD LYS 8 -7.528 8.208 -0.287 53 1HE LYS 8 2HE LYS 8 -8.981 9.257 -1.948 54 2HE LYS 8 1HE LYS 8 -7.379 8.933 -2.609 55 1HZ LYS 8 1HZ LYS 8 -9.188 8.349 -4.142 56 2HZ LYS 8 2HZ LYS 8 -9.760 7.209 -3.031 57 3HZ LYS 8 3HZ LYS 8 -8.236 7.009 -3.737 58 H LYS 9 H LYS 9 -6.712 2.951 -0.713 59 HA LYS 9 HA LYS 9 -4.094 1.984 -1.247 60 1HB LYS 9 2HB LYS 9 -3.380 3.277 1.050 61 2HB LYS 9 1HB LYS 9 -2.932 3.785 -0.569 62 1HG LYS 9 2HG LYS 9 -3.784 5.630 0.793 63 2HG LYS 9 1HG LYS 9 -4.784 5.336 -0.628 64 1HD LYS 9 2HD LYS 9 -6.531 4.479 0.615 65 2HD LYS 9 1HD LYS 9 -5.483 4.010 1.955 66 1HE LYS 9 2HE LYS 9 -5.560 6.064 2.912 67 2HE LYS 9 1HE LYS 9 -5.651 6.900 1.361 68 1HZ LYS 9 1HZ LYS 9 -7.908 6.719 1.292 69 2HZ LYS 9 2HZ LYS 9 -7.697 6.801 2.968 70 3HZ LYS 9 3HZ LYS 9 -7.955 5.306 2.220 71 H TYR 10 H TYR 10 -5.787 0.273 -0.770 72 HA TYR 10 HA TYR 10 -5.335 -0.680 1.920 73 1HB TYR 10 2HB TYR 10 -7.437 0.756 2.004 74 2HB TYR 10 1HB TYR 10 -8.190 -0.447 0.965 75 HD1 TYR 10 1HD TYR 10 -7.748 0.551 4.277 76 HD2 TYR 10 2HD TYR 10 -7.920 -2.949 1.864 77 HE1 TYR 10 1HE TYR 10 -8.335 -0.781 6.260 78 HE2 TYR 10 2HE TYR 10 -8.509 -4.290 3.840 79 HH TYR 10 HH TYR 10 -8.167 -3.178 6.985 80 H CYS 11 H CYS 11 -4.907 -2.794 1.795 81 HA CYS 11 HA CYS 11 -5.474 -4.190 -0.678 82 1HB CYS 11 2HB CYS 11 -3.276 -4.356 0.592 83 2HB CYS 11 1HB CYS 11 -4.133 -5.357 1.758 84 H SER 12 H SER 12 -7.115 -5.484 -1.029 85 HA SER 12 HA SER 12 -8.968 -6.104 1.111 86 1HB SER 12 2HB SER 12 -9.218 -6.884 -1.795 87 2HB SER 12 1HB SER 12 -10.506 -6.741 -0.598 88 HG SER 12 HG SER 12 -9.938 -4.460 -0.510 89 H THR 13 H THR 13 -6.254 -7.455 0.749 90 HA THR 13 HA THR 13 -7.261 -10.189 0.997 91 HB THR 13 HB THR 13 -4.754 -9.390 -0.488 92 HG1 THR 13 1HG THR 13 -7.207 -10.449 -1.440 93 1HG2 THR 13 1HG2 THR 13 -5.996 -12.119 -0.367 94 2HG2 THR 13 2HG2 THR 13 -4.677 -11.610 0.688 95 3HG2 THR 13 3HG2 THR 13 -4.443 -11.652 -1.059 96 H CYS 14 H CYS 14 -4.786 -7.814 1.767 97 HA CYS 14 HA CYS 14 -3.738 -9.589 3.858 98 1HB CYS 14 2HB CYS 14 -2.630 -6.962 2.850 99 2HB CYS 14 1HB CYS 14 -1.853 -8.039 4.004 100 H ASP 15 H ASP 15 -6.098 -7.331 3.577 101 HA ASP 15 HA ASP 15 -7.212 -5.961 5.000 102 1HB ASP 15 2HB ASP 15 -5.910 -7.790 7.023 103 2HB ASP 15 1HB ASP 15 -7.218 -6.670 7.380 104 H ILE 16 H ILE 16 -4.782 -4.956 4.090 105 HA ILE 16 HA ILE 16 -3.800 -3.457 6.431 106 HB ILE 16 HB ILE 16 -2.258 -3.742 3.868 107 1HG1 ILE 16 2HG1 ILE 16 -2.724 -6.011 4.712 108 2HG1 ILE 16 1HG1 ILE 16 -1.020 -5.599 4.864 109 1HG2 ILE 16 1HG2 ILE 16 -0.370 -3.431 5.603 110 2HG2 ILE 16 2HG2 ILE 16 -1.659 -2.869 6.667 111 3HG2 ILE 16 3HG2 ILE 16 -1.344 -2.035 5.144 112 1HD1 ILE 16 1HD1 ILE 16 -1.659 -6.717 6.847 113 2HD1 ILE 16 2HD1 ILE 16 -3.087 -5.700 7.040 114 3HD1 ILE 16 3HD1 ILE 16 -1.478 -5.011 7.256 115 H SER 17 H SER 17 -3.082 -1.235 5.961 116 HA SER 17 HA SER 17 -4.496 -0.016 3.694 117 1HB SER 17 2HB SER 17 -4.777 1.930 5.556 118 2HB SER 17 1HB SER 17 -6.007 0.706 5.241 119 HG SER 17 HG SER 17 -5.512 -0.289 7.067 120 H PHE 18 H PHE 18 -3.676 2.113 3.104 121 HA PHE 18 HA PHE 18 -0.977 2.678 4.081 122 1HB PHE 18 2HB PHE 18 -1.829 2.453 1.190 123 2HB PHE 18 1HB PHE 18 -0.299 3.131 1.716 124 HD1 PHE 18 1HD PHE 18 1.234 1.608 3.114 125 HD2 PHE 18 2HD PHE 18 -2.049 0.185 0.809 126 HE1 PHE 18 1HE PHE 18 2.212 -0.650 3.120 127 HE2 PHE 18 2HE PHE 18 -1.078 -2.075 0.813 128 HZ PHE 18 HZ PHE 18 1.053 -2.496 1.969 129 H ASN 19 H ASN 19 -0.559 4.787 4.384 130 HA ASN 19 HA ASN 19 -2.696 6.668 4.190 131 1HB ASN 19 2HB ASN 19 -0.950 8.265 5.046 132 2HB ASN 19 1HB ASN 19 -1.207 6.848 6.053 133 1HD2 ASN 19 1HD2 ASN 19 0.996 8.598 4.094 134 2HD2 ASN 19 2HD2 ASN 19 2.377 7.594 4.362 135 H TYR 20 H TYR 20 -0.131 5.717 2.124 136 HA TYR 20 HA TYR 20 -0.694 8.011 0.368 137 1HB TYR 20 2HB TYR 20 1.915 6.790 1.157 138 2HB TYR 20 1HB TYR 20 1.750 7.448 -0.468 139 HD1 TYR 20 1HD TYR 20 0.172 9.833 -0.133 140 HD2 TYR 20 2HD TYR 20 3.192 8.250 2.413 141 HE1 TYR 20 1HE TYR 20 0.618 12.091 0.734 142 HE2 TYR 20 2HE TYR 20 3.645 10.504 3.286 143 HH TYR 20 HH TYR 20 1.583 13.113 2.804 144 H VAL 21 H VAL 21 -1.351 7.523 -1.629 145 HA VAL 21 HA VAL 21 -2.083 4.965 -2.406 146 HB VAL 21 HB VAL 21 -1.363 7.184 -4.323 147 1HG1 VAL 21 1HG1 VAL 21 -3.003 4.691 -4.492 148 2HG1 VAL 21 2HG1 VAL 21 -1.806 5.326 -5.622 149 3HG1 VAL 21 3HG1 VAL 21 -3.398 6.078 -5.508 150 1HG2 VAL 21 1HG2 VAL 21 -2.843 8.362 -3.073 151 2HG2 VAL 21 2HG2 VAL 21 -3.605 6.915 -2.413 152 3HG2 VAL 21 3HG2 VAL 21 -4.010 7.460 -4.040 153 H LYS 22 H LYS 22 0.969 6.614 -2.740 154 HA LYS 22 HA LYS 22 2.125 4.949 -4.707 155 1HB LYS 22 2HB LYS 22 3.052 7.146 -4.098 156 2HB LYS 22 1HB LYS 22 3.472 6.527 -2.507 157 1HG LYS 22 2HG LYS 22 5.430 6.578 -3.903 158 2HG LYS 22 1HG LYS 22 4.989 4.902 -3.565 159 1HD LYS 22 2HD LYS 22 4.291 4.510 -5.726 160 2HD LYS 22 1HD LYS 22 3.946 6.212 -6.035 161 1HE LYS 22 2HE LYS 22 6.084 6.678 -6.623 162 2HE LYS 22 1HE LYS 22 6.764 5.522 -5.478 163 1HZ LYS 22 1HZ LYS 22 5.797 5.073 -8.216 164 2HZ LYS 22 2HZ LYS 22 5.737 3.800 -7.105 165 3HZ LYS 22 3HZ LYS 22 7.218 4.529 -7.478 166 H THR 23 H THR 23 1.817 4.688 -1.223 167 HA THR 23 HA THR 23 3.647 2.528 -0.939 168 HB THR 23 HB THR 23 1.425 2.749 0.999 169 HG1 THR 23 1HG THR 23 2.002 4.721 1.738 170 1HG2 THR 23 1HG2 THR 23 3.233 2.776 2.632 171 2HG2 THR 23 2HG2 THR 23 4.413 2.812 1.321 172 3HG2 THR 23 3HG2 THR 23 3.370 1.405 1.530 173 H TYR 24 H TYR 24 0.160 2.763 -1.401 174 HA TYR 24 HA TYR 24 -0.448 0.034 -1.108 175 1HB TYR 24 2HB TYR 24 -2.167 1.784 -1.150 176 2HB TYR 24 1HB TYR 24 -1.802 2.113 -2.837 177 HD1 TYR 24 1HD TYR 24 -3.577 1.437 -4.154 178 HD2 TYR 24 2HD TYR 24 -2.346 -1.061 -0.938 179 HE1 TYR 24 1HE TYR 24 -5.227 -0.252 -4.842 180 HE2 TYR 24 2HE TYR 24 -3.991 -2.758 -1.617 181 HH TYR 24 HH TYR 24 -5.194 -3.240 -4.164 182 H LEU 25 H LEU 25 0.850 1.910 -3.731 183 HA LEU 25 HA LEU 25 0.528 -0.127 -5.729 184 1HB LEU 25 2HB LEU 25 1.878 2.524 -5.559 185 2HB LEU 25 1HB LEU 25 2.421 1.412 -6.802 186 HG LEU 25 HG LEU 25 -0.447 2.289 -6.478 187 1HD1 LEU 25 1HD1 LEU 25 0.852 4.229 -7.030 188 2HD1 LEU 25 2HD1 LEU 25 0.000 3.691 -8.477 189 3HD1 LEU 25 3HD1 LEU 25 1.719 3.345 -8.286 190 1HD2 LEU 25 1HD2 LEU 25 -0.329 1.508 -8.979 191 2HD2 LEU 25 2HD2 LEU 25 -0.565 0.339 -7.680 192 3HD2 LEU 25 3HD2 LEU 25 1.033 0.553 -8.395 193 H ALA 26 H ALA 26 3.127 1.031 -3.649 194 HA ALA 26 HA ALA 26 5.155 -0.643 -4.634 195 1HB ALA 26 1HB ALA 26 6.396 -0.050 -2.677 196 2HB ALA 26 2HB ALA 26 4.926 0.435 -1.832 197 3HB ALA 26 3HB ALA 26 5.500 1.373 -3.210 198 H HIS 27 H HIS 27 2.551 -1.170 -2.359 199 HA HIS 27 HA HIS 27 3.629 -3.551 -1.211 200 1HB HIS 27 2HB HIS 27 1.987 -2.389 0.069 201 2HB HIS 27 1HB HIS 27 0.844 -2.384 -1.271 202 HD1 HIS 27 1HD HIS 27 2.392 -4.796 1.224 203 HD2 HIS 27 2HD HIS 27 -0.817 -4.526 -1.398 204 HE1 HIS 27 1HE HIS 27 0.963 -6.841 1.635 205 H LYS 28 H LYS 28 1.399 -2.875 -3.871 206 HA LYS 28 HA LYS 28 0.830 -5.632 -4.384 207 1HB LYS 28 2HB LYS 28 -0.402 -3.335 -5.076 208 2HB LYS 28 1HB LYS 28 0.486 -3.651 -6.560 209 1HG LYS 28 2HG LYS 28 -1.111 -5.846 -5.333 210 2HG LYS 28 1HG LYS 28 -1.937 -4.568 -6.226 211 1HD LYS 28 2HD LYS 28 -0.674 -5.046 -8.206 212 2HD LYS 28 1HD LYS 28 0.361 -6.176 -7.330 213 1HE LYS 28 2HE LYS 28 -1.396 -7.737 -7.075 214 2HE LYS 28 1HE LYS 28 -2.611 -6.561 -7.575 215 1HZ LYS 28 1HZ LYS 28 -1.902 -8.300 -9.261 216 2HZ LYS 28 2HZ LYS 28 -0.457 -7.434 -9.402 217 3HZ LYS 28 3HZ LYS 28 -1.928 -6.692 -9.787 218 H GLN 29 H GLN 29 3.180 -3.309 -5.523 219 HA GLN 29 HA GLN 29 4.118 -5.039 -7.645 220 1HB GLN 29 2HB GLN 29 4.134 -2.348 -7.342 221 2HB GLN 29 1HB GLN 29 5.769 -2.731 -6.824 222 1HG GLN 29 2HG GLN 29 5.073 -4.131 -9.252 223 2HG GLN 29 1HG GLN 29 4.872 -2.388 -9.425 224 1HE2 GLN 29 1HE2 GLN 29 7.184 -4.634 -7.925 225 2HE2 GLN 29 2HE2 GLN 29 8.599 -3.848 -8.529 226 H PHE 30 H PHE 30 4.706 -4.713 -4.311 227 HA PHE 30 HA PHE 30 7.305 -6.073 -4.592 228 1HB PHE 30 2HB PHE 30 7.101 -3.769 -3.389 229 2HB PHE 30 1HB PHE 30 6.437 -4.715 -2.061 230 HD1 PHE 30 1HD PHE 30 9.387 -4.534 -4.321 231 HD2 PHE 30 2HD PHE 30 7.859 -5.685 -0.519 232 HE1 PHE 30 1HE PHE 30 11.668 -5.070 -3.571 233 HE2 PHE 30 2HE PHE 30 10.137 -6.223 0.238 234 HZ PHE 30 HZ PHE 30 12.046 -5.916 -1.288 235 H TYR 31 H TYR 31 4.404 -5.927 -2.524 236 HA TYR 31 HA TYR 31 5.015 -8.393 -1.210 237 1HB TYR 31 2HB TYR 31 3.489 -6.337 -0.491 238 2HB TYR 31 1HB TYR 31 2.235 -7.319 -1.239 239 HD1 TYR 31 1HD TYR 31 4.795 -7.275 1.432 240 HD2 TYR 31 2HD TYR 31 1.356 -9.225 -0.139 241 HE1 TYR 31 1HE TYR 31 4.609 -8.596 3.497 242 HE2 TYR 31 2HE TYR 31 1.159 -10.551 1.922 243 HH TYR 31 HH TYR 31 2.497 -9.823 4.712 244 H HIS 32 H HIS 32 2.710 -7.435 -3.736 245 HA HIS 32 HA HIS 32 2.061 -10.259 -4.173 246 1HB HIS 32 2HB HIS 32 0.736 -7.748 -5.214 247 2HB HIS 32 1HB HIS 32 0.209 -9.387 -5.578 248 HD1 HIS 32 1HD HIS 32 -1.286 -10.527 -3.855 249 HD2 HIS 32 2HD HIS 32 0.377 -6.970 -2.494 250 HE1 HIS 32 1HE HIS 32 -2.437 -9.994 -1.663 251 H LYS 33 H LYS 33 4.596 -9.601 -4.955 252 HA LYS 33 HA LYS 33 4.413 -10.019 -7.828 253 1HB LYS 33 2HB LYS 33 5.503 -7.590 -6.567 254 2HB LYS 33 1HB LYS 33 6.547 -8.322 -7.777 255 1HG LYS 33 2HG LYS 33 4.245 -8.361 -9.128 256 2HG LYS 33 1HG LYS 33 3.941 -6.971 -8.084 257 1HD LYS 33 2HD LYS 33 5.943 -5.883 -8.867 258 2HD LYS 33 1HD LYS 33 6.399 -7.312 -9.799 259 1HE LYS 33 2HE LYS 33 4.017 -5.523 -10.266 260 2HE LYS 33 1HE LYS 33 5.454 -5.660 -11.278 261 1HZ LYS 33 1HZ LYS 33 4.798 -8.090 -11.508 262 2HZ LYS 33 2HZ LYS 33 3.853 -6.958 -12.336 263 3HZ LYS 33 3HZ LYS 33 3.289 -7.634 -10.892 264 H ASN 34 H ASN 34 4.947 -12.115 -6.607 265 HA ASN 34 HA ASN 34 7.866 -12.429 -6.652 266 1HB ASN 34 2HB ASN 34 5.984 -13.135 -4.449 267 2HB ASN 34 1HB ASN 34 7.331 -14.223 -4.766 268 1HD2 ASN 34 1HD2 ASN 34 9.392 -12.693 -5.337 269 2HD2 ASN 34 2HD2 ASN 34 9.760 -11.598 -4.052 270 H LYS 35 H LYS 35 5.870 -12.997 -8.657 271 HA LYS 35 HA LYS 35 5.325 -14.618 -10.153 272 1HB LYS 35 2HB LYS 35 7.896 -15.075 -9.576 273 2HB LYS 35 1HB LYS 35 7.218 -16.577 -8.963 274 1HG LYS 35 2HG LYS 35 6.858 -15.518 -11.758 275 2HG LYS 35 1HG LYS 35 7.994 -16.779 -11.275 276 1HD LYS 35 2HD LYS 35 6.330 -18.188 -11.813 277 2HD LYS 35 1HD LYS 35 5.657 -17.729 -10.249 278 1HE LYS 35 2HE LYS 35 4.443 -15.875 -11.430 279 2HE LYS 35 1HE LYS 35 4.977 -16.586 -12.953 280 1HZ LYS 35 1HZ LYS 35 3.539 -18.228 -10.973 281 2HZ LYS 35 2HZ LYS 35 3.660 -18.439 -12.646 282 3HZ LYS 35 3HZ LYS 35 2.679 -17.212 -12.019 283 HA PRO 36 HA PRO 36 2.746 -16.768 -6.941 284 1HB PRO 36 2HB PRO 36 0.355 -16.112 -8.039 285 2HB PRO 36 1HB PRO 36 1.216 -15.052 -6.916 286 1HG PRO 36 2HG PRO 36 1.095 -14.947 -9.906 287 2HG PRO 36 1HG PRO 36 0.984 -13.620 -8.735 288 1HD PRO 36 2HD PRO 36 3.263 -14.189 -10.086 289 2HD PRO 36 1HD PRO 36 3.268 -13.520 -8.441 Start of MODEL 19 1 1H GLY 1 1HT GLY 1 -20.421 5.905 -15.263 2 2H GLY 1 2HT GLY 1 -20.352 4.876 -16.603 3 3H GLY 1 3HT GLY 1 -18.942 5.236 -15.741 4 1HA GLY 1 1HA GLY 1 -21.197 3.969 -14.346 5 2HA GLY 1 2HA GLY 1 -20.152 2.984 -15.359 6 H SER 2 H SER 2 -17.882 2.889 -14.840 7 HA SER 2 HA SER 2 -16.150 2.574 -13.401 8 1HB SER 2 2HB SER 2 -16.115 5.005 -13.256 9 2HB SER 2 1HB SER 2 -17.378 4.976 -12.025 10 HG SER 2 HG SER 2 -15.943 4.462 -10.564 11 H ALA 3 H ALA 3 -15.580 1.895 -11.184 12 HA ALA 3 HA ALA 3 -17.835 0.476 -9.976 13 1HB ALA 3 1HB ALA 3 -15.461 -0.497 -10.686 14 2HB ALA 3 2HB ALA 3 -16.380 -1.143 -9.327 15 3HB ALA 3 3HB ALA 3 -15.065 -0.003 -9.040 16 H ALA 4 H ALA 4 -17.743 3.228 -9.481 17 HA ALA 4 HA ALA 4 -17.977 4.706 -7.767 18 1HB ALA 4 1HB ALA 4 -19.251 3.470 -6.376 19 2HB ALA 4 2HB ALA 4 -17.791 3.456 -5.388 20 3HB ALA 4 3HB ALA 4 -18.161 2.085 -6.433 21 H GLU 5 H GLU 5 -15.825 2.449 -6.081 22 HA GLU 5 HA GLU 5 -13.351 3.442 -6.587 23 1HB GLU 5 2HB GLU 5 -14.916 5.353 -5.012 24 2HB GLU 5 1HB GLU 5 -13.390 4.922 -4.252 25 1HG GLU 5 2HG GLU 5 -12.156 5.978 -5.808 26 2HG GLU 5 1HG GLU 5 -13.256 5.565 -7.121 27 H VAL 6 H VAL 6 -13.758 1.047 -6.040 28 HA VAL 6 HA VAL 6 -13.543 0.494 -3.182 29 HB VAL 6 HB VAL 6 -15.098 -0.856 -4.553 30 1HG1 VAL 6 1HG1 VAL 6 -14.305 -2.450 -6.159 31 2HG1 VAL 6 2HG1 VAL 6 -12.628 -2.013 -5.832 32 3HG1 VAL 6 3HG1 VAL 6 -13.703 -0.854 -6.612 33 1HG2 VAL 6 1HG2 VAL 6 -13.063 -2.834 -3.734 34 2HG2 VAL 6 2HG2 VAL 6 -14.765 -2.706 -3.292 35 3HG2 VAL 6 3HG2 VAL 6 -13.570 -1.672 -2.509 36 H MET 7 H MET 7 -11.339 1.827 -4.305 37 HA MET 7 HA MET 7 -9.214 0.233 -3.402 38 1HB MET 7 2HB MET 7 -8.000 -0.010 -5.594 39 2HB MET 7 1HB MET 7 -9.403 -1.053 -5.401 40 1HG MET 7 2HG MET 7 -9.923 1.537 -6.687 41 2HG MET 7 1HG MET 7 -8.895 0.427 -7.593 42 1HE MET 7 1HE MET 7 -10.821 -2.113 -8.999 43 2HE MET 7 2HE MET 7 -10.500 -2.710 -7.369 44 3HE MET 7 3HE MET 7 -9.303 -1.713 -8.195 45 H LYS 8 H LYS 8 -7.849 1.673 -2.600 46 HA LYS 8 HA LYS 8 -7.045 3.980 -4.163 47 1HB LYS 8 2HB LYS 8 -9.021 4.819 -2.996 48 2HB LYS 8 1HB LYS 8 -8.360 4.285 -1.457 49 1HG LYS 8 2HG LYS 8 -6.510 5.869 -1.704 50 2HG LYS 8 1HG LYS 8 -7.186 6.409 -3.242 51 1HD LYS 8 2HD LYS 8 -9.037 6.452 -0.949 52 2HD LYS 8 1HD LYS 8 -7.694 7.592 -0.865 53 1HE LYS 8 2HE LYS 8 -9.733 8.528 -1.930 54 2HE LYS 8 1HE LYS 8 -8.309 8.563 -2.970 55 1HZ LYS 8 1HZ LYS 8 -9.112 6.728 -4.201 56 2HZ LYS 8 2HZ LYS 8 -10.410 7.803 -4.057 57 3HZ LYS 8 3HZ LYS 8 -10.351 6.417 -3.090 58 H LYS 9 H LYS 9 -6.853 2.356 -1.008 59 HA LYS 9 HA LYS 9 -4.041 2.056 -1.156 60 1HB LYS 9 2HB LYS 9 -3.605 3.525 0.901 61 2HB LYS 9 1HB LYS 9 -3.772 4.326 -0.653 62 1HG LYS 9 2HG LYS 9 -4.963 5.572 1.015 63 2HG LYS 9 1HG LYS 9 -6.123 4.837 -0.092 64 1HD LYS 9 2HD LYS 9 -6.683 3.147 1.487 65 2HD LYS 9 1HD LYS 9 -5.343 3.602 2.541 66 1HE LYS 9 2HE LYS 9 -7.273 5.741 1.918 67 2HE LYS 9 1HE LYS 9 -7.890 4.415 2.903 68 1HZ LYS 9 1HZ LYS 9 -6.693 6.487 3.963 69 2HZ LYS 9 2HZ LYS 9 -5.308 5.570 3.643 70 3HZ LYS 9 3HZ LYS 9 -6.530 4.939 4.626 71 H TYR 10 H TYR 10 -6.095 0.293 -0.691 72 HA TYR 10 HA TYR 10 -5.373 -0.696 1.952 73 1HB TYR 10 2HB TYR 10 -7.507 0.675 2.152 74 2HB TYR 10 1HB TYR 10 -8.280 -0.544 1.145 75 HD1 TYR 10 1HD TYR 10 -7.716 0.454 4.433 76 HD2 TYR 10 2HD TYR 10 -7.879 -3.045 2.019 77 HE1 TYR 10 1HE TYR 10 -8.165 -0.901 6.437 78 HE2 TYR 10 2HE TYR 10 -8.331 -4.409 4.015 79 HH TYR 10 HH TYR 10 -9.144 -3.032 7.037 80 H CYS 11 H CYS 11 -4.936 -2.812 1.837 81 HA CYS 11 HA CYS 11 -5.549 -4.218 -0.620 82 1HB CYS 11 2HB CYS 11 -3.314 -4.354 0.590 83 2HB CYS 11 1HB CYS 11 -4.124 -5.369 1.776 84 H SER 12 H SER 12 -7.195 -5.516 -0.925 85 HA SER 12 HA SER 12 -8.968 -6.173 1.271 86 1HB SER 12 2HB SER 12 -10.188 -7.313 -0.815 87 2HB SER 12 1HB SER 12 -10.294 -5.581 -0.501 88 HG SER 12 HG SER 12 -9.231 -5.225 -2.273 89 H THR 13 H THR 13 -6.256 -7.491 0.815 90 HA THR 13 HA THR 13 -7.224 -10.238 1.061 91 HB THR 13 HB THR 13 -4.769 -9.395 -0.484 92 HG1 THR 13 1HG THR 13 -6.668 -8.992 -1.640 93 1HG2 THR 13 1HG2 THR 13 -5.255 -11.931 -1.246 94 2HG2 THR 13 2HG2 THR 13 -5.715 -12.007 0.455 95 3HG2 THR 13 3HG2 THR 13 -4.096 -11.473 0.002 96 H CYS 14 H CYS 14 -4.758 -7.840 1.790 97 HA CYS 14 HA CYS 14 -3.637 -9.627 3.835 98 1HB CYS 14 2HB CYS 14 -2.568 -6.990 2.814 99 2HB CYS 14 1HB CYS 14 -1.755 -8.074 3.934 100 H ASP 15 H ASP 15 -6.021 -7.392 3.643 101 HA ASP 15 HA ASP 15 -7.106 -6.041 5.106 102 1HB ASP 15 2HB ASP 15 -5.721 -7.864 7.080 103 2HB ASP 15 1HB ASP 15 -7.039 -6.768 7.477 104 H ILE 16 H ILE 16 -4.745 -4.964 4.132 105 HA ILE 16 HA ILE 16 -3.716 -3.480 6.464 106 HB ILE 16 HB ILE 16 -2.225 -3.724 3.867 107 1HG1 ILE 16 2HG1 ILE 16 -2.648 -6.006 4.718 108 2HG1 ILE 16 1HG1 ILE 16 -0.946 -5.574 4.810 109 1HG2 ILE 16 1HG2 ILE 16 -1.538 -2.919 6.673 110 2HG2 ILE 16 2HG2 ILE 16 -1.364 -1.992 5.183 111 3HG2 ILE 16 3HG2 ILE 16 -0.296 -3.360 5.502 112 1HD1 ILE 16 1HD1 ILE 16 -2.877 -5.469 7.113 113 2HD1 ILE 16 2HD1 ILE 16 -1.140 -5.165 7.177 114 3HD1 ILE 16 3HD1 ILE 16 -1.741 -6.779 6.794 115 H SER 17 H SER 17 -3.042 -1.240 5.985 116 HA SER 17 HA SER 17 -4.565 -0.041 3.775 117 1HB SER 17 2HB SER 17 -4.768 1.913 5.630 118 2HB SER 17 1HB SER 17 -5.993 0.666 5.407 119 HG SER 17 HG SER 17 -3.827 0.481 7.231 120 H PHE 18 H PHE 18 -3.829 2.146 3.205 121 HA PHE 18 HA PHE 18 -1.082 2.743 4.000 122 1HB PHE 18 2HB PHE 18 -2.087 2.449 1.165 123 2HB PHE 18 1HB PHE 18 -0.549 3.185 1.587 124 HD1 PHE 18 1HD PHE 18 1.030 1.703 3.064 125 HD2 PHE 18 2HD PHE 18 -2.175 0.204 0.700 126 HE1 PHE 18 1HE PHE 18 2.079 -0.523 3.060 127 HE2 PHE 18 2HE PHE 18 -1.133 -2.024 0.691 128 HZ PHE 18 HZ PHE 18 0.996 -2.391 1.873 129 H ASN 19 H ASN 19 -0.659 4.874 4.194 130 HA ASN 19 HA ASN 19 -2.892 6.708 3.834 131 1HB ASN 19 2HB ASN 19 -0.377 6.709 5.420 132 2HB ASN 19 1HB ASN 19 -1.005 8.275 4.917 133 1HD2 ASN 19 1HD2 ASN 19 -2.664 5.300 5.877 134 2HD2 ASN 19 2HD2 ASN 19 -3.533 6.004 7.193 135 H TYR 20 H TYR 20 -0.856 5.600 1.708 136 HA TYR 20 HA TYR 20 -0.818 8.040 0.170 137 1HB TYR 20 2HB TYR 20 1.692 6.731 1.171 138 2HB TYR 20 1HB TYR 20 1.688 7.593 -0.364 139 HD1 TYR 20 1HD TYR 20 0.512 10.014 -0.184 140 HD2 TYR 20 2HD TYR 20 2.366 7.919 3.022 141 HE1 TYR 20 1HE TYR 20 0.844 12.141 1.005 142 HE2 TYR 20 2HE TYR 20 2.702 10.041 4.221 143 HH TYR 20 HH TYR 20 2.844 12.406 3.772 144 H VAL 21 H VAL 21 -1.373 7.538 -1.842 145 HA VAL 21 HA VAL 21 -1.943 5.011 -2.762 146 HB VAL 21 HB VAL 21 -1.031 7.269 -4.545 147 1HG1 VAL 21 1HG1 VAL 21 -1.285 5.306 -5.824 148 2HG1 VAL 21 2HG1 VAL 21 -2.775 6.221 -6.063 149 3HG1 VAL 21 3HG1 VAL 21 -2.754 4.841 -4.965 150 1HG2 VAL 21 1HG2 VAL 21 -3.161 7.278 -2.690 151 2HG2 VAL 21 2HG2 VAL 21 -3.873 7.122 -4.295 152 3HG2 VAL 21 3HG2 VAL 21 -2.795 8.472 -3.936 153 H LYS 22 H LYS 22 1.120 6.676 -2.747 154 HA LYS 22 HA LYS 22 2.484 5.039 -4.602 155 1HB LYS 22 2HB LYS 22 3.110 7.329 -3.334 156 2HB LYS 22 1HB LYS 22 4.010 6.194 -2.337 157 1HG LYS 22 2HG LYS 22 4.270 6.520 -5.319 158 2HG LYS 22 1HG LYS 22 5.403 7.111 -4.102 159 1HD LYS 22 2HD LYS 22 5.564 4.666 -3.345 160 2HD LYS 22 1HD LYS 22 4.794 4.276 -4.883 161 1HE LYS 22 2HE LYS 22 6.744 5.951 -5.717 162 2HE LYS 22 1HE LYS 22 7.525 5.222 -4.313 163 1HZ LYS 22 1HZ LYS 22 6.800 3.022 -5.324 164 2HZ LYS 22 2HZ LYS 22 8.071 3.837 -6.087 165 3HZ LYS 22 3HZ LYS 22 6.516 3.888 -6.749 166 H THR 23 H THR 23 1.838 4.748 -1.167 167 HA THR 23 HA THR 23 3.641 2.578 -0.746 168 HB THR 23 HB THR 23 1.310 2.857 1.055 169 HG1 THR 23 1HG THR 23 3.230 4.920 0.752 170 1HG2 THR 23 1HG2 THR 23 4.280 2.808 1.515 171 2HG2 THR 23 2HG2 THR 23 3.147 1.479 1.755 172 3HG2 THR 23 3HG2 THR 23 3.060 2.908 2.783 173 H TYR 24 H TYR 24 0.213 2.855 -1.496 174 HA TYR 24 HA TYR 24 -0.415 0.116 -1.176 175 1HB TYR 24 2HB TYR 24 -2.094 1.966 -1.316 176 2HB TYR 24 1HB TYR 24 -1.739 2.104 -3.034 177 HD1 TYR 24 1HD TYR 24 -3.698 1.435 -4.104 178 HD2 TYR 24 2HD TYR 24 -2.143 -0.955 -0.946 179 HE1 TYR 24 1HE TYR 24 -5.377 -0.293 -4.593 180 HE2 TYR 24 2HE TYR 24 -3.818 -2.690 -1.427 181 HH TYR 24 HH TYR 24 -5.398 -3.026 -4.119 182 H LEU 25 H LEU 25 1.023 1.983 -3.723 183 HA LEU 25 HA LEU 25 0.772 -0.042 -5.747 184 1HB LEU 25 2HB LEU 25 2.284 2.541 -5.504 185 2HB LEU 25 1HB LEU 25 2.625 1.439 -6.824 186 HG LEU 25 HG LEU 25 0.828 3.454 -6.952 187 1HD1 LEU 25 1HD1 LEU 25 -0.243 1.925 -8.798 188 2HD1 LEU 25 2HD1 LEU 25 1.118 0.876 -8.404 189 3HD1 LEU 25 3HD1 LEU 25 1.408 2.525 -8.956 190 1HD2 LEU 25 1HD2 LEU 25 -0.616 2.323 -5.260 191 2HD2 LEU 25 2HD2 LEU 25 -0.845 1.007 -6.411 192 3HD2 LEU 25 3HD2 LEU 25 -1.411 2.631 -6.803 193 H ALA 26 H ALA 26 3.277 1.085 -3.538 194 HA ALA 26 HA ALA 26 5.343 -0.584 -4.426 195 1HB ALA 26 1HB ALA 26 4.858 0.625 -1.709 196 2HB ALA 26 2HB ALA 26 5.811 1.316 -3.022 197 3HB ALA 26 3HB ALA 26 6.361 -0.151 -2.211 198 H HIS 27 H HIS 27 2.637 -1.129 -2.262 199 HA HIS 27 HA HIS 27 3.638 -3.558 -1.151 200 1HB HIS 27 2HB HIS 27 1.965 -2.384 0.091 201 2HB HIS 27 1HB HIS 27 0.861 -2.375 -1.280 202 HD1 HIS 27 1HD HIS 27 2.402 -4.844 1.174 203 HD2 HIS 27 2HD HIS 27 -0.834 -4.479 -1.405 204 HE1 HIS 27 1HE HIS 27 0.957 -6.886 1.548 205 H LYS 28 H LYS 28 1.389 -2.810 -3.792 206 HA LYS 28 HA LYS 28 0.842 -5.533 -4.415 207 1HB LYS 28 2HB LYS 28 -0.446 -3.323 -5.038 208 2HB LYS 28 1HB LYS 28 0.595 -3.359 -6.455 209 1HG LYS 28 2HG LYS 28 -0.279 -5.872 -6.537 210 2HG LYS 28 1HG LYS 28 -1.645 -5.135 -5.695 211 1HD LYS 28 2HD LYS 28 -2.278 -3.922 -7.506 212 2HD LYS 28 1HD LYS 28 -0.621 -3.699 -8.070 213 1HE LYS 28 2HE LYS 28 -0.777 -6.282 -8.526 214 2HE LYS 28 1HE LYS 28 -2.509 -5.955 -8.549 215 1HZ LYS 28 1HZ LYS 28 -2.340 -4.688 -10.424 216 2HZ LYS 28 2HZ LYS 28 -1.094 -5.794 -10.717 217 3HZ LYS 28 3HZ LYS 28 -0.731 -4.246 -10.138 218 H GLN 29 H GLN 29 3.345 -3.296 -5.306 219 HA GLN 29 HA GLN 29 4.254 -4.891 -7.542 220 1HB GLN 29 2HB GLN 29 4.440 -2.256 -7.018 221 2HB GLN 29 1HB GLN 29 6.007 -2.785 -6.420 222 1HG GLN 29 2HG GLN 29 4.920 -3.244 -9.190 223 2HG GLN 29 1HG GLN 29 6.144 -2.060 -8.732 224 1HE2 GLN 29 1HE2 GLN 29 7.920 -3.246 -7.286 225 2HE2 GLN 29 2HE2 GLN 29 8.604 -4.636 -8.051 226 H PHE 30 H PHE 30 4.816 -4.809 -4.151 227 HA PHE 30 HA PHE 30 7.251 -6.430 -4.510 228 1HB PHE 30 2HB PHE 30 6.478 -4.403 -2.474 229 2HB PHE 30 1HB PHE 30 7.452 -5.767 -1.939 230 HD1 PHE 30 1HD PHE 30 7.451 -3.667 -5.025 231 HD2 PHE 30 2HD PHE 30 9.641 -5.140 -1.687 232 HE1 PHE 30 1HE PHE 30 9.474 -2.543 -5.860 233 HE2 PHE 30 2HE PHE 30 11.668 -4.018 -2.516 234 HZ PHE 30 HZ PHE 30 11.585 -2.717 -4.605 235 H TYR 31 H TYR 31 4.343 -6.086 -2.484 236 HA TYR 31 HA TYR 31 4.708 -8.629 -1.225 237 1HB TYR 31 2HB TYR 31 3.291 -6.435 -0.560 238 2HB TYR 31 1HB TYR 31 2.007 -7.409 -1.269 239 HD1 TYR 31 1HD TYR 31 4.445 -7.177 1.468 240 HD2 TYR 31 2HD TYR 31 1.229 -9.420 -0.184 241 HE1 TYR 31 1HE TYR 31 4.241 -8.426 3.576 242 HE2 TYR 31 2HE TYR 31 1.015 -10.674 1.920 243 HH TYR 31 HH TYR 31 3.373 -10.559 4.377 244 H HIS 32 H HIS 32 2.749 -7.430 -3.907 245 HA HIS 32 HA HIS 32 1.901 -10.199 -4.443 246 1HB HIS 32 2HB HIS 32 0.610 -7.603 -5.310 247 2HB HIS 32 1HB HIS 32 0.035 -9.213 -5.728 248 HD1 HIS 32 1HD HIS 32 -1.394 -10.426 -3.982 249 HD2 HIS 32 2HD HIS 32 0.295 -6.896 -2.581 250 HE1 HIS 32 1HE HIS 32 -2.490 -9.946 -1.750 251 H LYS 33 H LYS 33 4.403 -9.709 -5.231 252 HA LYS 33 HA LYS 33 4.235 -10.005 -8.077 253 1HB LYS 33 2HB LYS 33 5.068 -7.442 -6.894 254 2HB LYS 33 1HB LYS 33 6.181 -8.084 -8.093 255 1HG LYS 33 2HG LYS 33 3.366 -8.170 -8.891 256 2HG LYS 33 1HG LYS 33 4.014 -6.548 -8.644 257 1HD LYS 33 2HD LYS 33 4.388 -7.075 -10.922 258 2HD LYS 33 1HD LYS 33 5.950 -7.233 -10.116 259 1HE LYS 33 2HE LYS 33 4.314 -9.678 -10.205 260 2HE LYS 33 1HE LYS 33 4.887 -9.097 -11.767 261 1HZ LYS 33 1HZ LYS 33 6.384 -10.215 -9.543 262 2HZ LYS 33 2HZ LYS 33 7.114 -8.910 -10.333 263 3HZ LYS 33 3HZ LYS 33 6.691 -10.295 -11.205 264 H ASN 34 H ASN 34 5.043 -11.748 -6.111 265 HA ASN 34 HA ASN 34 7.625 -12.489 -7.037 266 1HB ASN 34 2HB ASN 34 7.400 -11.061 -4.439 267 2HB ASN 34 1HB ASN 34 8.459 -12.467 -4.490 268 1HD2 ASN 34 1HD2 ASN 34 9.863 -12.468 -6.572 269 2HD2 ASN 34 2HD2 ASN 34 10.675 -10.978 -6.897 270 H LYS 35 H LYS 35 4.991 -13.622 -6.795 271 HA LYS 35 HA LYS 35 5.667 -15.986 -5.182 272 1HB LYS 35 2HB LYS 35 3.988 -14.664 -3.971 273 2HB LYS 35 1HB LYS 35 2.937 -14.702 -5.380 274 1HG LYS 35 2HG LYS 35 2.018 -16.391 -4.173 275 2HG LYS 35 1HG LYS 35 3.219 -17.309 -5.085 276 1HD LYS 35 2HD LYS 35 3.436 -18.031 -2.851 277 2HD LYS 35 1HD LYS 35 4.784 -16.924 -3.122 278 1HE LYS 35 2HE LYS 35 3.149 -15.131 -2.188 279 2HE LYS 35 1HE LYS 35 2.288 -16.518 -1.524 280 1HZ LYS 35 1HZ LYS 35 3.924 -16.941 -0.046 281 2HZ LYS 35 2HZ LYS 35 4.235 -15.290 -0.233 282 3HZ LYS 35 3HZ LYS 35 5.165 -16.424 -1.074 283 HA PRO 36 HA PRO 36 4.792 -17.313 -9.500 284 1HB PRO 36 2HB PRO 36 6.539 -19.389 -9.466 285 2HB PRO 36 1HB PRO 36 7.028 -17.729 -9.829 286 1HG PRO 36 2HG PRO 36 7.252 -19.251 -7.260 287 2HG PRO 36 1HG PRO 36 8.440 -18.188 -8.038 288 1HD PRO 36 2HD PRO 36 6.887 -17.373 -5.977 289 2HD PRO 36 1HD PRO 36 7.418 -16.272 -7.264 Start of MODEL 20 1 1H GLY 1 1HT GLY 1 -22.859 10.173 -9.873 2 2H GLY 1 2HT GLY 1 -24.348 10.972 -9.831 3 3H GLY 1 3HT GLY 1 -24.099 9.598 -8.877 4 1HA GLY 1 1HA GLY 1 -23.330 12.350 -8.407 5 2HA GLY 1 2HA GLY 1 -23.711 11.080 -7.253 6 H SER 2 H SER 2 -21.584 12.876 -6.928 7 HA SER 2 HA SER 2 -19.183 11.340 -7.582 8 1HB SER 2 2HB SER 2 -19.290 13.833 -7.980 9 2HB SER 2 1HB SER 2 -19.334 14.040 -6.228 10 HG SER 2 HG SER 2 -17.291 12.634 -7.603 11 H ALA 3 H ALA 3 -19.565 9.610 -6.117 12 HA ALA 3 HA ALA 3 -18.414 10.038 -3.537 13 1HB ALA 3 1HB ALA 3 -21.348 9.363 -3.686 14 2HB ALA 3 2HB ALA 3 -20.616 10.789 -2.952 15 3HB ALA 3 3HB ALA 3 -20.360 9.198 -2.235 16 H ALA 4 H ALA 4 -17.856 8.430 -5.825 17 HA ALA 4 HA ALA 4 -18.146 5.744 -4.646 18 1HB ALA 4 1HB ALA 4 -19.391 5.373 -6.499 19 2HB ALA 4 2HB ALA 4 -17.805 5.127 -7.229 20 3HB ALA 4 3HB ALA 4 -18.627 6.677 -7.409 21 H GLU 5 H GLU 5 -16.216 5.334 -3.765 22 HA GLU 5 HA GLU 5 -13.989 4.586 -5.122 23 1HB GLU 5 2HB GLU 5 -14.156 7.507 -4.967 24 2HB GLU 5 1HB GLU 5 -12.649 6.869 -4.326 25 1HG GLU 5 2HG GLU 5 -13.457 5.704 -6.884 26 2HG GLU 5 1HG GLU 5 -13.127 7.435 -6.938 27 H VAL 6 H VAL 6 -14.811 3.378 -3.104 28 HA VAL 6 HA VAL 6 -13.614 4.381 -0.635 29 HB VAL 6 HB VAL 6 -15.917 3.474 -0.573 30 1HG1 VAL 6 1HG1 VAL 6 -14.628 0.809 -1.139 31 2HG1 VAL 6 2HG1 VAL 6 -15.593 1.728 -2.293 32 3HG1 VAL 6 3HG1 VAL 6 -16.335 1.113 -0.817 33 1HG2 VAL 6 1HG2 VAL 6 -14.292 1.573 1.039 34 2HG2 VAL 6 2HG2 VAL 6 -15.674 2.561 1.512 35 3HG2 VAL 6 3HG2 VAL 6 -14.086 3.303 1.312 36 H MET 7 H MET 7 -11.811 3.628 -2.680 37 HA MET 7 HA MET 7 -10.157 1.814 -1.229 38 1HB MET 7 2HB MET 7 -9.985 0.059 -2.911 39 2HB MET 7 1HB MET 7 -11.639 0.191 -2.329 40 1HG MET 7 2HG MET 7 -12.258 1.435 -4.325 41 2HG MET 7 1HG MET 7 -10.595 1.345 -4.906 42 1HE MET 7 1HE MET 7 -12.789 -0.892 -7.237 43 2HE MET 7 2HE MET 7 -12.658 0.778 -6.687 44 3HE MET 7 3HE MET 7 -13.883 -0.285 -5.994 45 H LYS 8 H LYS 8 -8.054 2.156 -1.693 46 HA LYS 8 HA LYS 8 -7.016 2.907 -4.186 47 1HB LYS 8 2HB LYS 8 -6.625 5.226 -4.003 48 2HB LYS 8 1HB LYS 8 -8.310 5.009 -3.556 49 1HG LYS 8 2HG LYS 8 -6.100 5.213 -1.528 50 2HG LYS 8 1HG LYS 8 -6.975 6.613 -2.146 51 1HD LYS 8 2HD LYS 8 -8.296 4.240 -0.836 52 2HD LYS 8 1HD LYS 8 -7.850 5.719 0.017 53 1HE LYS 8 2HE LYS 8 -9.232 6.910 -1.813 54 2HE LYS 8 1HE LYS 8 -9.920 5.314 -2.113 55 1HZ LYS 8 1HZ LYS 8 -11.150 6.791 -0.501 56 2HZ LYS 8 2HZ LYS 8 -9.879 6.533 0.585 57 3HZ LYS 8 3HZ LYS 8 -10.805 5.226 0.042 58 H LYS 9 H LYS 9 -6.683 3.105 -0.686 59 HA LYS 9 HA LYS 9 -3.895 2.237 -0.974 60 1HB LYS 9 2HB LYS 9 -3.379 3.680 1.052 61 2HB LYS 9 1HB LYS 9 -3.645 4.532 -0.459 62 1HG LYS 9 2HG LYS 9 -6.077 4.771 0.365 63 2HG LYS 9 1HG LYS 9 -5.410 4.365 1.947 64 1HD LYS 9 2HD LYS 9 -5.453 6.747 1.769 65 2HD LYS 9 1HD LYS 9 -3.770 6.233 1.641 66 1HE LYS 9 2HE LYS 9 -3.727 7.560 -0.166 67 2HE LYS 9 1HE LYS 9 -4.534 6.213 -0.966 68 1HZ LYS 9 1HZ LYS 9 -6.673 7.310 -0.209 69 2HZ LYS 9 2HZ LYS 9 -5.823 8.081 -1.452 70 3HZ LYS 9 3HZ LYS 9 -5.740 8.681 0.127 71 H TYR 10 H TYR 10 -5.780 0.413 -0.609 72 HA TYR 10 HA TYR 10 -5.181 -0.631 2.021 73 1HB TYR 10 2HB TYR 10 -7.286 0.782 2.264 74 2HB TYR 10 1HB TYR 10 -8.082 -0.385 1.213 75 HD1 TYR 10 1HD TYR 10 -7.527 0.491 4.533 76 HD2 TYR 10 2HD TYR 10 -7.718 -2.926 2.006 77 HE1 TYR 10 1HE TYR 10 -8.015 -0.919 6.487 78 HE2 TYR 10 2HE TYR 10 -8.208 -4.346 3.953 79 HH TYR 10 HH TYR 10 -7.861 -3.242 7.167 80 H CYS 11 H CYS 11 -4.813 -2.756 1.847 81 HA CYS 11 HA CYS 11 -5.422 -4.057 -0.667 82 1HB CYS 11 2HB CYS 11 -3.214 -4.293 0.581 83 2HB CYS 11 1HB CYS 11 -4.075 -5.333 1.709 84 H SER 12 H SER 12 -7.081 -5.321 -1.049 85 HA SER 12 HA SER 12 -8.927 -5.982 1.085 86 1HB SER 12 2HB SER 12 -10.091 -7.063 -1.081 87 2HB SER 12 1HB SER 12 -10.212 -5.347 -0.691 88 HG SER 12 HG SER 12 -8.991 -4.882 -2.351 89 H THR 13 H THR 13 -6.231 -7.360 0.652 90 HA THR 13 HA THR 13 -7.276 -10.084 0.841 91 HB THR 13 HB THR 13 -4.780 -9.282 -0.660 92 HG1 THR 13 1HG THR 13 -7.344 -10.100 -1.517 93 1HG2 THR 13 1HG2 THR 13 -5.022 -11.627 0.541 94 2HG2 THR 13 2HG2 THR 13 -4.289 -11.456 -1.054 95 3HG2 THR 13 3HG2 THR 13 -5.966 -11.982 -0.906 96 H CYS 14 H CYS 14 -4.757 -7.768 1.638 97 HA CYS 14 HA CYS 14 -3.678 -9.613 3.646 98 1HB CYS 14 2HB CYS 14 -2.620 -6.942 2.706 99 2HB CYS 14 1HB CYS 14 -1.821 -8.018 3.846 100 H ASP 15 H ASP 15 -6.007 -7.261 3.462 101 HA ASP 15 HA ASP 15 -7.132 -6.005 4.984 102 1HB ASP 15 2HB ASP 15 -6.419 -8.414 6.255 103 2HB ASP 15 1HB ASP 15 -6.109 -7.142 7.429 104 H ILE 16 H ILE 16 -4.683 -5.001 4.082 105 HA ILE 16 HA ILE 16 -3.681 -3.572 6.457 106 HB ILE 16 HB ILE 16 -2.178 -3.784 3.862 107 1HG1 ILE 16 2HG1 ILE 16 -2.622 -6.072 4.674 108 2HG1 ILE 16 1HG1 ILE 16 -0.916 -5.656 4.798 109 1HG2 ILE 16 1HG2 ILE 16 -1.250 -2.098 5.154 110 2HG2 ILE 16 2HG2 ILE 16 -0.262 -3.498 5.570 111 3HG2 ILE 16 3HG2 ILE 16 -1.535 -2.961 6.665 112 1HD1 ILE 16 1HD1 ILE 16 -2.866 -5.533 7.083 113 2HD1 ILE 16 2HD1 ILE 16 -1.119 -5.305 7.160 114 3HD1 ILE 16 3HD1 ILE 16 -1.786 -6.886 6.751 115 H SER 17 H SER 17 -2.966 -1.330 6.042 116 HA SER 17 HA SER 17 -4.504 -0.052 3.884 117 1HB SER 17 2HB SER 17 -4.605 1.876 5.758 118 2HB SER 17 1HB SER 17 -5.853 0.641 5.595 119 HG SER 17 HG SER 17 -4.941 -0.489 7.270 120 H PHE 18 H PHE 18 -3.753 2.181 3.413 121 HA PHE 18 HA PHE 18 -0.971 2.695 4.096 122 1HB PHE 18 2HB PHE 18 -2.058 2.421 1.290 123 2HB PHE 18 1HB PHE 18 -0.512 3.165 1.664 124 HD1 PHE 18 1HD PHE 18 1.297 1.781 2.684 125 HD2 PHE 18 2HD PHE 18 -2.323 0.087 1.225 126 HE1 PHE 18 1HE PHE 18 2.357 -0.439 2.643 127 HE2 PHE 18 2HE PHE 18 -1.271 -2.136 1.182 128 HZ PHE 18 HZ PHE 18 1.070 -2.402 1.891 129 H ASN 19 H ASN 19 -0.444 4.849 4.114 130 HA ASN 19 HA ASN 19 -2.652 6.690 4.191 131 1HB ASN 19 2HB ASN 19 -0.868 8.309 4.895 132 2HB ASN 19 1HB ASN 19 -1.009 6.887 5.918 133 1HD2 ASN 19 1HD2 ASN 19 1.066 8.826 4.162 134 2HD2 ASN 19 2HD2 ASN 19 2.450 7.791 4.154 135 H TYR 20 H TYR 20 -0.272 5.759 1.905 136 HA TYR 20 HA TYR 20 -1.101 7.975 0.166 137 1HB TYR 20 2HB TYR 20 1.650 7.173 0.944 138 2HB TYR 20 1HB TYR 20 1.395 7.619 -0.739 139 HD1 TYR 20 1HD TYR 20 -0.369 9.827 -0.753 140 HD2 TYR 20 2HD TYR 20 2.623 8.893 2.125 141 HE1 TYR 20 1HE TYR 20 -0.217 12.205 -0.148 142 HE2 TYR 20 2HE TYR 20 2.782 11.268 2.739 143 HH TYR 20 HH TYR 20 1.784 13.701 0.954 144 H VAL 21 H VAL 21 -1.671 7.401 -1.844 145 HA VAL 21 HA VAL 21 -2.201 4.782 -2.558 146 HB VAL 21 HB VAL 21 -1.591 6.983 -4.534 147 1HG1 VAL 21 1HG1 VAL 21 -3.186 4.440 -4.658 148 2HG1 VAL 21 2HG1 VAL 21 -1.848 4.950 -5.687 149 3HG1 VAL 21 3HG1 VAL 21 -3.413 5.752 -5.814 150 1HG2 VAL 21 1HG2 VAL 21 -4.111 7.355 -4.396 151 2HG2 VAL 21 2HG2 VAL 21 -3.133 7.971 -3.065 152 3HG2 VAL 21 3HG2 VAL 21 -4.040 6.471 -2.871 153 H LYS 22 H LYS 22 0.744 6.605 -2.850 154 HA LYS 22 HA LYS 22 2.061 4.984 -4.754 155 1HB LYS 22 2HB LYS 22 3.246 6.670 -2.539 156 2HB LYS 22 1HB LYS 22 4.126 6.030 -3.921 157 1HG LYS 22 2HG LYS 22 2.869 7.404 -5.433 158 2HG LYS 22 1HG LYS 22 1.815 7.948 -4.126 159 1HD LYS 22 2HD LYS 22 3.452 9.288 -3.188 160 2HD LYS 22 1HD LYS 22 4.767 8.373 -3.927 161 1HE LYS 22 2HE LYS 22 4.847 10.118 -5.347 162 2HE LYS 22 1HE LYS 22 3.507 9.285 -6.133 163 1HZ LYS 22 1HZ LYS 22 3.004 11.615 -5.778 164 2HZ LYS 22 2HZ LYS 22 3.256 11.450 -4.114 165 3HZ LYS 22 3HZ LYS 22 1.966 10.647 -4.857 166 H THR 23 H THR 23 1.692 4.801 -1.268 167 HA THR 23 HA THR 23 3.608 2.725 -0.897 168 HB THR 23 HB THR 23 1.353 2.935 1.012 169 HG1 THR 23 1HG THR 23 1.433 5.058 0.741 170 1HG2 THR 23 1HG2 THR 23 3.241 3.185 2.629 171 2HG2 THR 23 2HG2 THR 23 4.345 2.949 1.274 172 3HG2 THR 23 3HG2 THR 23 3.221 1.668 1.728 173 H TYR 24 H TYR 24 0.142 2.832 -1.462 174 HA TYR 24 HA TYR 24 -0.370 0.084 -1.074 175 1HB TYR 24 2HB TYR 24 -2.110 1.867 -1.167 176 2HB TYR 24 1HB TYR 24 -1.833 2.002 -2.898 177 HD1 TYR 24 1HD TYR 24 -3.604 1.113 -4.077 178 HD2 TYR 24 2HD TYR 24 -2.263 -0.903 -0.579 179 HE1 TYR 24 1HE TYR 24 -5.247 -0.671 -4.483 180 HE2 TYR 24 2HE TYR 24 -3.901 -2.693 -0.976 181 HH TYR 24 HH TYR 24 -6.460 -2.500 -2.689 182 H LEU 25 H LEU 25 0.891 1.943 -3.726 183 HA LEU 25 HA LEU 25 0.604 -0.132 -5.693 184 1HB LEU 25 2HB LEU 25 1.904 2.545 -5.566 185 2HB LEU 25 1HB LEU 25 2.479 1.421 -6.783 186 HG LEU 25 HG LEU 25 -0.392 2.309 -6.490 187 1HD1 LEU 25 1HD1 LEU 25 0.316 3.349 -8.813 188 2HD1 LEU 25 2HD1 LEU 25 1.902 3.379 -8.042 189 3HD1 LEU 25 3HD1 LEU 25 0.544 4.223 -7.297 190 1HD2 LEU 25 1HD2 LEU 25 -0.421 0.201 -7.508 191 2HD2 LEU 25 2HD2 LEU 25 1.044 0.527 -8.432 192 3HD2 LEU 25 3HD2 LEU 25 -0.463 1.340 -8.854 193 H ALA 26 H ALA 26 3.201 1.119 -3.657 194 HA ALA 26 HA ALA 26 5.249 -0.541 -4.599 195 1HB ALA 26 1HB ALA 26 5.244 1.523 -2.942 196 2HB ALA 26 2HB ALA 26 6.528 0.316 -2.912 197 3HB ALA 26 3HB ALA 26 5.220 0.240 -1.733 198 H HIS 27 H HIS 27 2.674 -1.068 -2.275 199 HA HIS 27 HA HIS 27 3.738 -3.443 -1.140 200 1HB HIS 27 2HB HIS 27 2.039 -2.339 0.104 201 2HB HIS 27 1HB HIS 27 0.945 -2.306 -1.276 202 HD1 HIS 27 1HD HIS 27 2.467 -4.824 1.142 203 HD2 HIS 27 2HD HIS 27 -0.765 -4.393 -1.429 204 HE1 HIS 27 1HE HIS 27 1.012 -6.864 1.480 205 H LYS 28 H LYS 28 1.207 -2.929 -3.598 206 HA LYS 28 HA LYS 28 0.835 -5.637 -4.225 207 1HB LYS 28 2HB LYS 28 -0.540 -3.508 -4.883 208 2HB LYS 28 1HB LYS 28 0.507 -3.496 -6.295 209 1HG LYS 28 2HG LYS 28 -0.253 -5.666 -6.958 210 2HG LYS 28 1HG LYS 28 -1.163 -5.855 -5.457 211 1HD LYS 28 2HD LYS 28 -2.871 -4.562 -6.178 212 2HD LYS 28 1HD LYS 28 -1.804 -3.457 -7.046 213 1HE LYS 28 2HE LYS 28 -1.483 -5.414 -8.693 214 2HE LYS 28 1HE LYS 28 -2.928 -6.088 -7.941 215 1HZ LYS 28 1HZ LYS 28 -3.430 -4.780 -9.930 216 2HZ LYS 28 2HZ LYS 28 -2.763 -3.405 -9.204 217 3HZ LYS 28 3HZ LYS 28 -4.150 -4.117 -8.550 218 H GLN 29 H GLN 29 3.241 -3.331 -5.239 219 HA GLN 29 HA GLN 29 4.187 -4.987 -7.415 220 1HB GLN 29 2HB GLN 29 4.285 -2.317 -6.970 221 2HB GLN 29 1HB GLN 29 5.893 -2.784 -6.437 222 1HG GLN 29 2HG GLN 29 6.564 -3.395 -8.524 223 2HG GLN 29 1HG GLN 29 4.936 -3.831 -9.042 224 1HE2 GLN 29 1HE2 GLN 29 5.361 -2.650 -10.972 225 2HE2 GLN 29 2HE2 GLN 29 5.228 -0.928 -10.994 226 H PHE 30 H PHE 30 4.695 -4.863 -4.053 227 HA PHE 30 HA PHE 30 7.280 -6.246 -4.337 228 1HB PHE 30 2HB PHE 30 6.191 -4.400 -2.273 229 2HB PHE 30 1HB PHE 30 7.264 -5.684 -1.729 230 HD1 PHE 30 1HD PHE 30 7.347 -2.415 -2.260 231 HD2 PHE 30 2HD PHE 30 9.249 -5.905 -3.782 232 HE1 PHE 30 1HE PHE 30 9.293 -1.062 -2.919 233 HE2 PHE 30 2HE PHE 30 11.200 -4.558 -4.443 234 HZ PHE 30 HZ PHE 30 11.223 -2.134 -4.012 235 H TYR 31 H TYR 31 4.354 -6.247 -2.291 236 HA TYR 31 HA TYR 31 4.886 -8.862 -1.268 237 1HB TYR 31 2HB TYR 31 3.453 -6.868 -0.287 238 2HB TYR 31 1HB TYR 31 2.153 -7.666 -1.164 239 HD1 TYR 31 1HD TYR 31 4.744 -8.207 1.438 240 HD2 TYR 31 2HD TYR 31 1.096 -9.569 -0.274 241 HE1 TYR 31 1HE TYR 31 4.463 -9.782 3.305 242 HE2 TYR 31 2HE TYR 31 0.803 -11.147 1.588 243 HH TYR 31 HH TYR 31 1.724 -11.155 4.157 244 H HIS 32 H HIS 32 2.798 -7.552 -3.794 245 HA HIS 32 HA HIS 32 1.961 -10.286 -4.474 246 1HB HIS 32 2HB HIS 32 0.784 -7.642 -5.355 247 2HB HIS 32 1HB HIS 32 0.161 -9.234 -5.776 248 HD1 HIS 32 1HD HIS 32 -1.339 -10.391 -4.051 249 HD2 HIS 32 2HD HIS 32 0.420 -6.898 -2.645 250 HE1 HIS 32 1HE HIS 32 -2.468 -9.862 -1.848 251 H LYS 33 H LYS 33 4.520 -9.781 -5.145 252 HA LYS 33 HA LYS 33 4.387 -9.791 -8.059 253 1HB LYS 33 2HB LYS 33 5.811 -7.773 -6.413 254 2HB LYS 33 1HB LYS 33 6.674 -8.402 -7.810 255 1HG LYS 33 2HG LYS 33 3.921 -7.190 -7.916 256 2HG LYS 33 1HG LYS 33 5.417 -6.318 -8.259 257 1HD LYS 33 2HD LYS 33 5.694 -7.316 -10.273 258 2HD LYS 33 1HD LYS 33 5.029 -8.855 -9.719 259 1HE LYS 33 2HE LYS 33 3.468 -8.056 -11.274 260 2HE LYS 33 1HE LYS 33 2.767 -7.679 -9.701 261 1HZ LYS 33 1HZ LYS 33 4.026 -5.844 -11.643 262 2HZ LYS 33 2HZ LYS 33 3.879 -5.419 -10.013 263 3HZ LYS 33 3HZ LYS 33 2.495 -5.744 -10.930 264 H ASN 34 H ASN 34 4.611 -12.090 -7.098 265 HA ASN 34 HA ASN 34 5.859 -13.987 -6.977 266 1HB ASN 34 2HB ASN 34 8.193 -12.329 -7.943 267 2HB ASN 34 1HB ASN 34 7.973 -14.069 -8.104 268 1HD2 ASN 34 1HD2 ASN 34 8.447 -12.056 -10.149 269 2HD2 ASN 34 2HD2 ASN 34 7.122 -12.168 -11.252 270 H LYS 35 H LYS 35 5.499 -12.763 -4.615 271 HA LYS 35 HA LYS 35 7.640 -13.744 -3.052 272 1HB LYS 35 2HB LYS 35 8.314 -11.336 -4.015 273 2HB LYS 35 1HB LYS 35 7.399 -10.817 -2.607 274 1HG LYS 35 2HG LYS 35 9.672 -12.782 -2.485 275 2HG LYS 35 1HG LYS 35 9.858 -11.044 -2.247 276 1HD LYS 35 2HD LYS 35 7.982 -12.757 -0.626 277 2HD LYS 35 1HD LYS 35 9.639 -12.396 -0.139 278 1HE LYS 35 2HE LYS 35 7.460 -10.374 -0.651 279 2HE LYS 35 1HE LYS 35 8.040 -10.887 0.933 280 1HZ LYS 35 1HZ LYS 35 10.280 -10.067 0.205 281 2HZ LYS 35 2HZ LYS 35 9.113 -8.864 0.433 282 3HZ LYS 35 3HZ LYS 35 9.520 -9.360 -1.132 283 HA PRO 36 HA PRO 36 3.402 -12.941 -1.104 284 1HB PRO 36 2HB PRO 36 2.591 -15.522 -0.928 285 2HB PRO 36 1HB PRO 36 2.271 -14.515 -2.344 286 1HG PRO 36 2HG PRO 36 4.410 -16.567 -1.923 287 2HG PRO 36 1HG PRO 36 3.393 -16.287 -3.349 288 1HD PRO 36 2HD PRO 36 5.947 -15.397 -3.177 289 2HD PRO 36 1HD PRO 36 4.692 -14.533 -4.086
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