NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
5926 | 1i6g | 5029 | cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 1 HT1 LYS 1 -3.852 12.058 -4.115 2 2H LYS 1 HT2 LYS 1 -3.592 10.913 -2.886 3 3H LYS 1 HT3 LYS 1 -4.825 10.672 -4.029 4 HA LYS 1 HA LYS 1 -3.085 10.566 -5.797 5 1HB LYS 1 HB2 LYS 1 -0.797 10.533 -5.087 6 2HB LYS 1 HB1 LYS 1 -1.541 11.886 -4.233 7 1HG LYS 1 HG2 LYS 1 -1.908 10.392 -2.267 8 2HG LYS 1 HG1 LYS 1 -1.049 9.109 -3.119 9 1HD LYS 1 HD2 LYS 1 0.938 10.617 -3.297 10 2HD LYS 1 HD1 LYS 1 0.079 11.804 -2.314 11 1HE LYS 1 HE2 LYS 1 -0.117 10.112 -0.486 12 2HE LYS 1 HE1 LYS 1 0.850 8.989 -1.463 13 1HZ LYS 1 HZ1 LYS 1 2.473 10.923 -1.669 14 2HZ LYS 1 HZ2 LYS 1 2.420 10.117 -0.174 15 3HZ LYS 1 HZ3 LYS 1 1.645 11.617 -0.362 16 H ASP 2 HN ASP 2 -1.784 8.423 -6.042 17 HA ASP 2 HA ASP 2 -3.018 6.286 -4.327 18 1HB ASP 2 HB2 ASP 2 -2.373 6.028 -7.269 19 2HB ASP 2 HB1 ASP 2 -3.474 5.046 -6.303 20 H GLY 3 HN GLY 3 -1.677 4.301 -4.194 21 1HA GLY 3 HA2 GLY 3 0.810 3.835 -5.344 22 2HA GLY 3 HA1 GLY 3 1.160 4.921 -4.002 23 H TYR 4 HN TYR 4 2.409 2.867 -3.380 24 HA TYR 4 HA TYR 4 0.665 0.842 -2.037 25 1HB TYR 4 HB2 TYR 4 3.619 0.914 -2.748 26 2HB TYR 4 HB1 TYR 4 2.813 -0.446 -1.972 27 HD1 TYR 4 HD1 TYR 4 1.272 -1.879 -3.205 28 HD2 TYR 4 HD2 TYR 4 3.147 1.500 -5.083 29 HE1 TYR 4 HE1 TYR 4 0.578 -2.725 -5.428 30 HE2 TYR 4 HE2 TYR 4 2.451 0.653 -7.307 31 HH TYR 4 HH TYR 4 1.222 -2.511 -7.761 32 HA PRO 5 HA PRO 5 1.760 3.119 1.660 33 1HB PRO 5 HB2 PRO 5 0.342 1.544 3.389 34 2HB PRO 5 HB1 PRO 5 -0.411 2.789 2.372 35 1HG PRO 5 HG2 PRO 5 -0.274 -0.159 1.959 36 2HG PRO 5 HG1 PRO 5 -1.617 0.959 1.668 37 1HD PRO 5 HD2 PRO 5 -0.026 0.013 -0.317 38 2HD PRO 5 HD1 PRO 5 -0.808 1.608 -0.380 39 H VAL 6 HN VAL 6 3.407 2.798 3.150 40 HA VAL 6 HA VAL 6 4.684 0.087 3.205 41 HB VAL 6 HB VAL 6 6.709 1.338 3.736 42 1HG1 VAL 6 HG11 VAL 6 5.612 1.261 1.338 43 2HG1 VAL 6 HG12 VAL 6 7.029 2.270 1.631 44 3HG1 VAL 6 HG13 VAL 6 5.421 2.995 1.596 45 1HG2 VAL 6 HG21 VAL 6 5.997 4.020 3.413 46 2HG2 VAL 6 HG22 VAL 6 6.445 3.236 4.928 47 3HG2 VAL 6 HG23 VAL 6 4.746 3.362 4.469 48 H ASP 7 HN ASP 7 6.074 -0.028 5.371 49 HA ASP 7 HA ASP 7 4.121 0.347 7.608 50 1HB ASP 7 HB2 ASP 7 5.657 -1.446 8.646 51 2HB ASP 7 HB1 ASP 7 4.674 -1.943 7.270 52 H SER 8 HN SER 8 5.866 0.089 9.752 53 HA SER 8 HA SER 8 6.832 2.729 10.156 54 1HB SER 8 HB2 SER 8 7.672 1.810 12.204 55 2HB SER 8 HB1 SER 8 6.230 0.880 11.811 56 HG SER 8 HG SER 8 8.909 0.147 11.797 57 H LYS 9 HN LYS 9 8.302 0.042 8.511 58 HA LYS 9 HA LYS 9 11.019 1.235 8.719 59 1HB LYS 9 HB2 LYS 9 10.553 -1.212 9.046 60 2HB LYS 9 HB1 LYS 9 10.042 -1.294 7.359 61 1HG LYS 9 HG2 LYS 9 12.200 -0.863 6.548 62 2HG LYS 9 HG1 LYS 9 12.729 -0.144 8.069 63 1HD LYS 9 HD2 LYS 9 13.639 -2.464 7.629 64 2HD LYS 9 HD1 LYS 9 12.777 -2.289 9.157 65 1HE LYS 9 HE2 LYS 9 10.712 -3.186 8.053 66 2HE LYS 9 HE1 LYS 9 11.671 -3.478 6.588 67 1HZ LYS 9 HZ1 LYS 9 11.711 -5.457 7.916 68 2HZ LYS 9 HZ2 LYS 9 12.177 -4.586 9.299 69 3HZ LYS 9 HZ3 LYS 9 13.248 -4.745 7.989 70 H GLY 10 HN GLY 10 8.322 1.077 6.541 71 1HA GLY 10 HA2 GLY 10 8.191 2.567 4.623 72 2HA GLY 10 HA1 GLY 10 9.952 2.509 4.503 73 H CYS 11 HN CYS 11 8.423 -0.491 5.128 74 HA CYS 11 HA CYS 11 9.142 -1.435 2.405 75 1HB CYS 11 HB2 CYS 11 8.534 -2.649 5.095 76 2HB CYS 11 HB1 CYS 11 8.520 -3.656 3.649 77 H LYS 12 HN LYS 12 7.583 -2.313 0.992 78 HA LYS 12 HA LYS 12 4.929 -1.336 1.020 79 1HB LYS 12 HB2 LYS 12 6.354 -3.651 -0.296 80 2HB LYS 12 HB1 LYS 12 4.648 -3.340 -0.619 81 1HG LYS 12 HG2 LYS 12 5.497 -0.867 -1.014 82 2HG LYS 12 HG1 LYS 12 7.040 -1.669 -1.307 83 1HD LYS 12 HD2 LYS 12 4.792 -2.997 -2.642 84 2HD LYS 12 HD1 LYS 12 5.031 -1.335 -3.182 85 1HE LYS 12 HE2 LYS 12 6.866 -1.937 -4.366 86 2HE LYS 12 HE1 LYS 12 7.590 -2.688 -2.930 87 1HZ LYS 12 HZ1 LYS 12 7.209 -4.478 -4.352 88 2HZ LYS 12 HZ2 LYS 12 5.712 -3.874 -4.882 89 3HZ LYS 12 HZ3 LYS 12 5.865 -4.516 -3.317 90 H LEU 13 HN LEU 13 2.954 -2.256 1.737 91 HA LEU 13 HA LEU 13 3.143 -4.129 3.977 92 1HB LEU 13 HB2 LEU 13 1.597 -2.234 3.982 93 2HB LEU 13 HB1 LEU 13 0.826 -2.827 2.510 94 HG LEU 13 HG LEU 13 0.389 -4.997 3.858 95 1HD1 LEU 13 HD11 LEU 13 0.153 -4.520 6.325 96 2HD1 LEU 13 HD12 LEU 13 1.037 -3.017 6.059 97 3HD1 LEU 13 HD13 LEU 13 1.822 -4.567 5.756 98 1HD2 LEU 13 HD21 LEU 13 -1.585 -3.901 3.435 99 2HD2 LEU 13 HD22 LEU 13 -0.972 -2.354 4.021 100 3HD2 LEU 13 HD23 LEU 13 -1.506 -3.584 5.168 101 H SER 14 HN SER 14 3.251 -6.309 3.628 102 HA SER 14 HA SER 14 2.637 -7.580 1.119 103 1HB SER 14 HB2 SER 14 2.661 -8.997 3.767 104 2HB SER 14 HB1 SER 14 3.379 -9.495 2.238 105 HG SER 14 HG SER 14 5.077 -8.773 3.371 106 H CYS 15 HN CYS 15 0.513 -7.454 0.410 107 HA CYS 15 HA CYS 15 -1.707 -7.875 2.337 108 1HB CYS 15 HB2 CYS 15 -3.067 -7.123 0.428 109 2HB CYS 15 HB1 CYS 15 -1.713 -6.021 0.677 110 H VAL 16 HN VAL 16 -3.290 -9.559 1.969 111 HA VAL 16 HA VAL 16 -2.348 -11.776 0.180 112 HB VAL 16 HB VAL 16 -1.897 -12.095 2.626 113 1HG1 VAL 16 HG11 VAL 16 -3.687 -12.244 4.192 114 2HG1 VAL 16 HG12 VAL 16 -4.903 -12.257 2.915 115 3HG1 VAL 16 HG13 VAL 16 -4.006 -10.779 3.264 116 1HG2 VAL 16 HG21 VAL 16 -3.202 -14.311 2.770 117 2HG2 VAL 16 HG22 VAL 16 -2.146 -14.105 1.373 118 3HG2 VAL 16 HG23 VAL 16 -3.886 -13.876 1.204 119 H ALA 17 HN ALA 17 -4.852 -9.626 0.927 120 HA ALA 17 HA ALA 17 -6.713 -11.065 -0.848 121 1HB ALA 17 HB1 ALA 17 -8.418 -11.355 0.835 122 2HB ALA 17 HB2 ALA 17 -7.485 -10.433 2.014 123 3HB ALA 17 HB3 ALA 17 -6.926 -12.024 1.495 124 H ASN 18 HN ASN 18 -8.498 -9.693 -1.505 125 HA ASN 18 HA ASN 18 -7.884 -6.892 -1.697 126 1HB ASN 18 HB2 ASN 18 -10.128 -8.755 -2.366 127 2HB ASN 18 HB1 ASN 18 -10.463 -7.023 -2.403 128 1HD2 ASN 18 HD21 ASN 18 -10.022 -9.168 -4.626 129 2HD2 ASN 18 HD22 ASN 18 -8.899 -8.426 -5.660 130 H ASN 19 HN ASN 19 -10.361 -8.657 0.201 131 HA ASN 19 HA ASN 19 -11.638 -6.519 1.472 132 1HB ASN 19 HB2 ASN 19 -12.017 -8.197 3.297 133 2HB ASN 19 HB1 ASN 19 -12.297 -8.862 1.689 134 1HD2 ASN 19 HD21 ASN 19 -11.550 -10.442 4.048 135 2HD2 ASN 19 HD22 ASN 19 -10.045 -11.150 3.710 136 H TYR 20 HN TYR 20 -8.625 -8.159 2.491 137 HA TYR 20 HA TYR 20 -8.132 -6.740 4.880 138 1HB TYR 20 HB2 TYR 20 -6.809 -8.637 4.259 139 2HB TYR 20 HB1 TYR 20 -6.351 -7.899 2.723 140 HD1 TYR 20 HD1 TYR 20 -6.340 -6.810 6.321 141 HD2 TYR 20 HD2 TYR 20 -4.128 -7.223 2.662 142 HE1 TYR 20 HE1 TYR 20 -4.360 -5.779 7.401 143 HE2 TYR 20 HE2 TYR 20 -2.148 -6.191 3.742 144 HH TYR 20 HH TYR 20 -1.402 -6.042 6.449 145 H CYS 21 HN CYS 21 -6.668 -6.001 1.688 146 HA CYS 21 HA CYS 21 -5.613 -3.459 2.399 147 1HB CYS 21 HB2 CYS 21 -6.406 -4.892 -0.118 148 2HB CYS 21 HB1 CYS 21 -5.914 -3.202 -0.220 149 H ASP 22 HN ASP 22 -8.726 -4.290 0.830 150 HA ASP 22 HA ASP 22 -9.783 -1.766 0.323 151 1HB ASP 22 HB2 ASP 22 -10.871 -3.903 -0.201 152 2HB ASP 22 HB1 ASP 22 -11.123 -4.215 1.516 153 H ASN 23 HN ASN 23 -9.795 -3.501 3.447 154 HA ASN 23 HA ASN 23 -11.196 -1.428 4.897 155 1HB ASN 23 HB2 ASN 23 -10.872 -3.926 5.419 156 2HB ASN 23 HB1 ASN 23 -9.266 -3.482 5.999 157 1HD2 ASN 23 HD21 ASN 23 -12.740 -3.104 6.630 158 2HD2 ASN 23 HD22 ASN 23 -12.562 -2.484 8.200 159 H GLN 24 HN GLN 24 -7.735 -2.334 4.685 160 HA GLN 24 HA GLN 24 -6.685 -0.325 6.388 161 1HB GLN 24 HB2 GLN 24 -5.618 -2.378 5.215 162 2HB GLN 24 HB1 GLN 24 -5.376 -1.296 3.843 163 1HG GLN 24 HG2 GLN 24 -3.370 -1.280 5.232 164 2HG GLN 24 HG1 GLN 24 -4.173 0.286 5.356 165 1HE2 GLN 24 HE21 GLN 24 -2.671 0.026 7.487 166 2HE2 GLN 24 HE22 GLN 24 -3.497 -0.555 8.851 167 H CYS 25 HN CYS 25 -6.673 -0.242 2.805 168 HA CYS 25 HA CYS 25 -5.927 2.381 2.342 169 1HB CYS 25 HB2 CYS 25 -8.120 0.746 1.025 170 2HB CYS 25 HB1 CYS 25 -7.363 2.164 0.301 171 H LYS 26 HN LYS 26 -9.320 1.313 2.835 172 HA LYS 26 HA LYS 26 -10.681 3.722 2.769 173 1HB LYS 26 HB2 LYS 26 -11.382 1.267 3.343 174 2HB LYS 26 HB1 LYS 26 -11.105 1.756 5.015 175 1HG LYS 26 HG2 LYS 26 -13.182 2.627 5.014 176 2HG LYS 26 HG1 LYS 26 -12.590 3.853 3.892 177 1HD LYS 26 HD2 LYS 26 -12.988 1.705 2.223 178 2HD LYS 26 HD1 LYS 26 -14.306 1.517 3.379 179 1HE LYS 26 HE2 LYS 26 -14.470 4.191 2.938 180 2HE LYS 26 HE1 LYS 26 -13.867 3.650 1.359 181 1HZ LYS 26 HZ1 LYS 26 -15.676 1.743 2.017 182 2HZ LYS 26 HZ2 LYS 26 -15.972 3.048 0.971 183 3HZ LYS 26 HZ3 LYS 26 -16.414 3.152 2.607 184 H MET 27 HN MET 27 -9.387 2.353 5.821 185 HA MET 27 HA MET 27 -9.719 4.532 7.516 186 1HB MET 27 HB2 MET 27 -7.673 2.357 7.202 187 2HB MET 27 HB1 MET 27 -7.424 3.583 8.445 188 1HG MET 27 HG2 MET 27 -9.182 2.850 9.712 189 2HG MET 27 HG1 MET 27 -10.148 2.414 8.303 190 1HE MET 27 HE1 MET 27 -6.872 0.646 10.525 191 2HE MET 27 HE2 MET 27 -6.749 1.994 9.398 192 3HE MET 27 HE3 MET 27 -6.291 0.374 8.877 193 H LYS 28 HN LYS 28 -7.288 4.105 4.989 194 HA LYS 28 HA LYS 28 -5.835 6.554 5.790 195 1HB LYS 28 HB2 LYS 28 -5.537 4.336 3.777 196 2HB LYS 28 HB1 LYS 28 -4.569 5.803 3.620 197 1HG LYS 28 HG2 LYS 28 -3.329 5.351 5.495 198 2HG LYS 28 HG1 LYS 28 -4.682 4.586 6.329 199 1HD LYS 28 HD2 LYS 28 -4.429 2.564 5.034 200 2HD LYS 28 HD1 LYS 28 -3.231 3.327 3.988 201 1HE LYS 28 HE2 LYS 28 -2.768 3.153 6.968 202 2HE LYS 28 HE1 LYS 28 -2.339 1.806 5.894 203 1HZ LYS 28 HZ1 LYS 28 -1.286 3.629 4.454 204 2HZ LYS 28 HZ2 LYS 28 -0.451 3.137 5.850 205 3HZ LYS 28 HZ3 LYS 28 -1.339 4.585 5.854 206 H LYS 29 HN LYS 29 -8.538 7.060 5.052 207 HA LYS 29 HA LYS 29 -9.856 8.317 3.531 208 1HB LYS 29 HB2 LYS 29 -8.273 9.927 4.507 209 2HB LYS 29 HB1 LYS 29 -7.089 9.534 3.260 210 1HG LYS 29 HG2 LYS 29 -8.265 10.637 1.599 211 2HG LYS 29 HG1 LYS 29 -9.820 10.397 2.395 212 1HD LYS 29 HD2 LYS 29 -8.446 11.941 4.228 213 2HD LYS 29 HD1 LYS 29 -7.897 12.596 2.684 214 1HE LYS 29 HE2 LYS 29 -9.870 13.835 3.137 215 2HE LYS 29 HE1 LYS 29 -10.440 12.557 2.044 216 1HZ LYS 29 HZ1 LYS 29 -11.874 12.242 3.774 217 2HZ LYS 29 HZ2 LYS 29 -10.781 12.811 4.943 218 3HZ LYS 29 HZ3 LYS 29 -10.603 11.249 4.301 219 H ALA 30 HN ALA 30 -8.414 5.887 2.373 220 HA ALA 30 HA ALA 30 -7.895 6.779 -0.416 221 1HB ALA 30 HB1 ALA 30 -7.779 3.955 0.622 222 2HB ALA 30 HB2 ALA 30 -6.523 5.110 1.070 223 3HB ALA 30 HB3 ALA 30 -6.794 4.715 -0.628 224 H SER 31 HN SER 31 -8.804 4.872 -2.012 225 HA SER 31 HA SER 31 -11.651 4.311 -1.284 226 1HB SER 31 HB2 SER 31 -11.680 6.381 -2.509 227 2HB SER 31 HB1 SER 31 -10.542 5.761 -3.701 228 HG SER 31 HG SER 31 -13.136 4.712 -3.205 229 H GLY 32 HN GLY 32 -8.919 3.682 -3.478 230 1HA GLY 32 HA2 GLY 32 -10.217 1.107 -4.252 231 2HA GLY 32 HA1 GLY 32 -8.943 1.905 -5.176 232 H GLY 33 HN GLY 33 -9.618 -0.050 -2.331 233 1HA GLY 33 HA2 GLY 33 -6.679 -0.396 -1.922 234 2HA GLY 33 HA1 GLY 33 -7.904 -0.737 -0.702 235 H HIS 34 HN HIS 34 -5.956 -2.120 -3.059 236 HA HIS 34 HA HIS 34 -7.459 -4.689 -2.852 237 1HB HIS 34 HB2 HIS 34 -6.835 -4.909 -5.367 238 2HB HIS 34 HB1 HIS 34 -8.167 -3.837 -4.937 239 HD1 HIS 34 HD1 HIS 34 -7.371 -1.219 -4.548 240 HD2 HIS 34 HD2 HIS 34 -4.889 -3.635 -6.866 241 HE1 HIS 34 HE1 HIS 34 -5.883 0.346 -5.870 242 H CYS 35 HN CYS 35 -6.044 -6.563 -3.470 243 HA CYS 35 HA CYS 35 -3.232 -6.062 -2.617 244 1HB CYS 35 HB2 CYS 35 -4.701 -7.709 -1.441 245 2HB CYS 35 HB1 CYS 35 -4.828 -8.625 -2.942 246 H TYR 36 HN TYR 36 -1.895 -5.695 -4.362 247 HA TYR 36 HA TYR 36 -2.253 -7.436 -6.782 248 1HB TYR 36 HB2 TYR 36 -2.613 -4.818 -6.745 249 2HB TYR 36 HB1 TYR 36 -0.850 -4.780 -6.790 250 HD1 TYR 36 HD1 TYR 36 -3.717 -4.802 -8.798 251 HD2 TYR 36 HD2 TYR 36 0.199 -6.548 -8.539 252 HE1 TYR 36 HE1 TYR 36 -3.759 -5.259 -11.236 253 HE2 TYR 36 HE2 TYR 36 0.158 -7.003 -10.977 254 HH TYR 36 HH TYR 36 -2.699 -6.190 -12.949 255 H ALA 37 HN ALA 37 -0.589 -8.874 -7.005 256 HA ALA 37 HA ALA 37 1.573 -9.814 -6.855 257 1HB ALA 37 HB1 ALA 37 2.736 -8.299 -8.065 258 2HB ALA 37 HB2 ALA 37 3.171 -7.520 -6.544 259 3HB ALA 37 HB3 ALA 37 1.754 -6.974 -7.442 260 H MET 38 HN MET 38 0.147 -9.714 -4.431 261 HA MET 38 HA MET 38 0.500 -9.927 -2.110 262 1HB MET 38 HB2 MET 38 3.374 -9.883 -3.087 263 2HB MET 38 HB1 MET 38 2.846 -10.450 -1.503 264 1HG MET 38 HG2 MET 38 1.195 -11.847 -3.222 265 2HG MET 38 HG1 MET 38 2.723 -11.805 -4.102 266 1HE MET 38 HE1 MET 38 2.100 -15.211 -2.457 267 2HE MET 38 HE2 MET 38 3.397 -14.781 -3.571 268 3HE MET 38 HE3 MET 38 1.781 -14.124 -3.815 269 H SER 39 HN SER 39 0.912 -7.148 -3.693 270 HA SER 39 HA SER 39 2.027 -5.707 -1.313 271 1HB SER 39 HB2 SER 39 1.920 -4.785 -4.197 272 2HB SER 39 HB1 SER 39 2.846 -4.071 -2.880 273 HG SER 39 HG SER 39 3.667 -5.880 -4.546 274 H CYS 40 HN CYS 40 0.656 -4.247 -0.354 275 HA CYS 40 HA CYS 40 -2.116 -4.070 -1.261 276 1HB CYS 40 HB2 CYS 40 -1.063 -4.108 1.129 277 2HB CYS 40 HB1 CYS 40 -0.804 -2.383 0.867 278 H TYR 41 HN TYR 41 -3.102 -2.263 -2.225 279 HA TYR 41 HA TYR 41 -1.428 0.163 -2.694 280 1HB TYR 41 HB2 TYR 41 -1.166 -1.465 -4.572 281 2HB TYR 41 HB1 TYR 41 -2.911 -1.406 -4.828 282 HD1 TYR 41 HD1 TYR 41 -4.001 0.654 -5.648 283 HD2 TYR 41 HD2 TYR 41 0.256 0.399 -5.172 284 HE1 TYR 41 HE1 TYR 41 -3.725 2.701 -7.023 285 HE2 TYR 41 HE2 TYR 41 0.536 2.442 -6.550 286 HH TYR 41 HH TYR 41 -0.538 3.828 -8.019 287 H CYS 42 HN CYS 42 -2.668 1.911 -2.161 288 HA CYS 42 HA CYS 42 -5.645 1.615 -2.275 289 1HB CYS 42 HB2 CYS 42 -3.956 3.621 -0.756 290 2HB CYS 42 HB1 CYS 42 -5.662 3.256 -0.504 291 H GLU 43 HN GLU 43 -6.822 3.056 -3.517 292 HA GLU 43 HA GLU 43 -5.264 5.027 -5.145 293 1HB GLU 43 HB2 GLU 43 -6.375 3.399 -6.491 294 2HB GLU 43 HB1 GLU 43 -7.841 3.484 -5.513 295 1HG GLU 43 HG2 GLU 43 -8.591 5.372 -6.557 296 2HG GLU 43 HG1 GLU 43 -6.968 6.041 -6.732 297 H GLY 44 HN GLY 44 -5.396 7.007 -4.105 298 1HA GLY 44 HA2 GLY 44 -7.015 8.953 -3.968 299 2HA GLY 44 HA1 GLY 44 -8.095 7.846 -3.120 300 H LEU 45 HN LEU 45 -4.804 7.361 -2.377 301 HA LEU 45 HA LEU 45 -5.067 7.871 0.396 302 1HB LEU 45 HB2 LEU 45 -2.704 7.852 -1.503 303 2HB LEU 45 HB1 LEU 45 -2.527 7.909 0.250 304 HG LEU 45 HG LEU 45 -4.275 5.792 -0.945 305 1HD1 LEU 45 HD11 LEU 45 -2.520 4.442 -1.633 306 2HD1 LEU 45 HD12 LEU 45 -1.357 5.236 -0.570 307 3HD1 LEU 45 HD13 LEU 45 -1.871 6.025 -2.061 308 1HD2 LEU 45 HD21 LEU 45 -3.404 4.547 1.020 309 2HD2 LEU 45 HD22 LEU 45 -4.145 6.074 1.496 310 3HD2 LEU 45 HD23 LEU 45 -2.389 5.930 1.431 311 HA PRO 46 HA PRO 46 -4.608 12.220 0.782 312 1HB PRO 46 HB2 PRO 46 -3.035 12.421 3.016 313 2HB PRO 46 HB1 PRO 46 -4.741 11.939 3.077 314 1HG PRO 46 HG2 PRO 46 -2.296 10.259 3.226 315 2HG PRO 46 HG1 PRO 46 -3.835 10.094 4.084 316 1HD PRO 46 HD2 PRO 46 -3.127 8.580 1.918 317 2HD PRO 46 HD1 PRO 46 -4.808 8.929 2.379 318 H GLU 47 HN GLU 47 -3.163 13.854 0.110 319 HA GLU 47 HA GLU 47 -0.940 13.261 -1.472 320 1HB GLU 47 HB2 GLU 47 -2.337 15.449 -0.925 321 2HB GLU 47 HB1 GLU 47 -0.993 15.766 0.172 322 1HG GLU 47 HG2 GLU 47 0.597 15.739 -1.599 323 2HG GLU 47 HG1 GLU 47 -0.558 15.024 -2.724 324 H ASN 48 HN ASN 48 -1.116 13.301 2.007 325 HA ASN 48 HA ASN 48 1.868 13.292 2.192 326 1HB ASN 48 HB2 ASN 48 1.230 13.526 4.704 327 2HB ASN 48 HB1 ASN 48 0.955 14.908 3.645 328 1HD2 ASN 48 HD21 ASN 48 -0.782 12.017 4.932 329 2HD2 ASN 48 HD22 ASN 48 -2.299 12.776 4.987 330 H ALA 49 HN ALA 49 -0.076 10.972 1.439 331 HA ALA 49 HA ALA 49 -0.049 9.052 3.566 332 1HB ALA 49 HB1 ALA 49 0.196 8.336 0.655 333 2HB ALA 49 HB2 ALA 49 -1.244 9.183 1.219 334 3HB ALA 49 HB3 ALA 49 -0.827 7.607 1.893 335 H LYS 50 HN LYS 50 1.402 7.179 3.760 336 HA LYS 50 HA LYS 50 4.199 7.837 2.930 337 1HB LYS 50 HB2 LYS 50 3.459 7.516 5.364 338 2HB LYS 50 HB1 LYS 50 3.246 5.809 4.969 339 1HG LYS 50 HG2 LYS 50 5.528 5.473 4.599 340 2HG LYS 50 HG1 LYS 50 5.834 7.180 4.292 341 1HD LYS 50 HD2 LYS 50 5.097 7.506 6.776 342 2HD LYS 50 HD1 LYS 50 5.430 5.780 6.924 343 1HE LYS 50 HE2 LYS 50 7.456 7.684 5.722 344 2HE LYS 50 HE1 LYS 50 7.395 7.347 7.463 345 1HZ LYS 50 HZ1 LYS 50 8.152 5.278 7.170 346 2HZ LYS 50 HZ2 LYS 50 8.653 5.797 5.631 347 3HZ LYS 50 HZ3 LYS 50 7.167 4.995 5.819 348 H VAL 51 HN VAL 51 3.594 6.956 0.714 349 HA VAL 51 HA VAL 51 3.604 3.959 0.712 350 HB VAL 51 HB VAL 51 2.471 4.216 -1.485 351 1HG1 VAL 51 HG11 VAL 51 0.572 4.180 -0.279 352 2HG1 VAL 51 HG12 VAL 51 0.658 5.932 -0.088 353 3HG1 VAL 51 HG13 VAL 51 1.434 4.877 1.094 354 1HG2 VAL 51 HG21 VAL 51 2.239 7.160 -0.869 355 2HG2 VAL 51 HG22 VAL 51 1.953 6.329 -2.398 356 3HG2 VAL 51 HG23 VAL 51 3.600 6.541 -1.805 357 H SER 52 HN SER 52 4.709 3.037 -1.255 358 HA SER 52 HA SER 52 7.302 4.403 -1.683 359 1HB SER 52 HB2 SER 52 6.983 1.962 -1.057 360 2HB SER 52 HB1 SER 52 6.301 1.714 -2.663 361 HG SER 52 HG SER 52 8.253 1.712 -3.424 362 H ASP 53 HN ASP 53 8.165 4.146 -4.043 363 HA ASP 53 HA ASP 53 5.990 4.941 -5.954 364 1HB ASP 53 HB2 ASP 53 7.982 6.236 -7.002 365 2HB ASP 53 HB1 ASP 53 7.309 6.856 -5.495 366 H SER 54 HN SER 54 7.190 2.225 -5.413 367 HA SER 54 HA SER 54 7.765 1.536 -8.227 368 1HB SER 54 HB2 SER 54 9.961 0.663 -7.755 369 2HB SER 54 HB1 SER 54 9.911 2.289 -7.081 370 HG SER 54 HG SER 54 10.726 0.476 -5.712 371 H ALA 55 HN ALA 55 8.034 -0.947 -8.384 372 HA ALA 55 HA ALA 55 5.996 -2.215 -6.666 373 1HB ALA 55 HB1 ALA 55 6.739 -2.379 -9.310 374 2HB ALA 55 HB2 ALA 55 5.749 -3.577 -8.477 375 3HB ALA 55 HB3 ALA 55 7.487 -3.827 -8.636 376 H THR 56 HN THR 56 9.003 -1.519 -5.934 377 HA THR 56 HA THR 56 9.419 -4.012 -4.381 378 HB THR 56 HB THR 56 11.945 -3.532 -5.376 379 HG1 THR 56 HG1 THR 56 10.326 -3.449 -7.646 380 1HG2 THR 56 HG21 THR 56 9.754 -5.350 -6.399 381 2HG2 THR 56 HG22 THR 56 10.983 -5.734 -5.194 382 3HG2 THR 56 HG23 THR 56 11.445 -5.495 -6.879 383 H ASN 57 HN ASN 57 10.420 -3.565 -2.414 384 HA ASN 57 HA ASN 57 11.320 -0.734 -1.979 385 1HB ASN 57 HB2 ASN 57 10.437 -0.986 0.248 386 2HB ASN 57 HB1 ASN 57 9.218 -1.630 -0.852 387 1HD2 ASN 57 HD21 ASN 57 8.423 -3.629 -0.218 388 2HD2 ASN 57 HD22 ASN 57 9.282 -4.783 0.684 389 H ILE 58 HN ILE 58 12.805 -0.778 0.169 390 HA ILE 58 HA ILE 58 14.969 -2.758 -0.396 391 HB ILE 58 HB ILE 58 15.062 -0.173 1.184 392 1HG1 ILE 58 HG12 ILE 58 14.211 0.157 -1.160 393 2HG1 ILE 58 HG11 ILE 58 15.769 0.929 -0.866 394 1HG2 ILE 58 HG21 ILE 58 17.435 -0.300 0.789 395 2HG2 ILE 58 HG22 ILE 58 17.232 -1.655 -0.322 396 3HG2 ILE 58 HG23 ILE 58 16.924 -1.874 1.401 397 1HD1 ILE 58 HD11 ILE 58 15.297 -0.694 -2.988 398 2HD1 ILE 58 HD12 ILE 58 15.885 -1.877 -1.819 399 3HD1 ILE 58 HD13 ILE 58 16.890 -0.496 -2.258 400 H CYS 59 HN CYS 59 13.168 -4.098 1.030 401 HA CYS 59 HA CYS 59 13.378 -3.646 3.917 402 1HB CYS 59 HB2 CYS 59 11.724 -5.039 2.105 403 2HB CYS 59 HB1 CYS 59 12.474 -6.281 3.104 404 H GLY 60 HN GLY 60 14.146 -5.575 5.307 405 1HA GLY 60 HA2 GLY 60 16.895 -6.158 4.665 406 2HA GLY 60 HA1 GLY 60 15.993 -6.843 6.018 Start of MODEL 2 1 1H LYS 1 HT1 LYS 1 -4.656 10.692 -4.414 2 2H LYS 1 HT2 LYS 1 -3.517 11.322 -3.321 3 3H LYS 1 HT3 LYS 1 -4.236 9.811 -3.027 4 HA LYS 1 HA LYS 1 -2.880 9.983 -5.578 5 1HB LYS 1 HB2 LYS 1 -0.662 10.095 -4.610 6 2HB LYS 1 HB1 LYS 1 -1.574 11.476 -4.000 7 1HG LYS 1 HG2 LYS 1 -2.160 10.051 -1.978 8 2HG LYS 1 HG1 LYS 1 -0.971 8.885 -2.557 9 1HD LYS 1 HD2 LYS 1 0.662 10.894 -2.640 10 2HD LYS 1 HD1 LYS 1 -0.518 11.714 -1.617 11 1HE LYS 1 HE2 LYS 1 -0.400 9.670 -0.072 12 2HE LYS 1 HE1 LYS 1 1.037 9.189 -0.997 13 1HZ LYS 1 HZ1 LYS 1 2.039 11.312 -0.555 14 2HZ LYS 1 HZ2 LYS 1 1.576 10.618 0.926 15 3HZ LYS 1 HZ3 LYS 1 0.645 11.863 0.239 16 H ASP 2 HN ASP 2 -2.189 7.871 -6.107 17 HA ASP 2 HA ASP 2 -3.070 5.729 -4.219 18 1HB ASP 2 HB2 ASP 2 -2.267 5.498 -7.129 19 2HB ASP 2 HB1 ASP 2 -3.292 4.405 -6.200 20 H GLY 3 HN GLY 3 -1.606 4.003 -3.698 21 1HA GLY 3 HA2 GLY 3 0.987 3.645 -4.790 22 2HA GLY 3 HA1 GLY 3 1.144 4.731 -3.412 23 H TYR 4 HN TYR 4 2.442 2.908 -2.548 24 HA TYR 4 HA TYR 4 0.771 0.669 -1.462 25 1HB TYR 4 HB2 TYR 4 3.785 0.975 -1.674 26 2HB TYR 4 HB1 TYR 4 2.907 -0.500 -1.274 27 HD1 TYR 4 HD1 TYR 4 1.634 -1.718 -2.991 28 HD2 TYR 4 HD2 TYR 4 3.884 1.811 -3.955 29 HE1 TYR 4 HE1 TYR 4 1.474 -2.275 -5.401 30 HE2 TYR 4 HE2 TYR 4 3.723 1.256 -6.367 31 HH TYR 4 HH TYR 4 2.530 -0.038 -7.880 32 HA PRO 5 HA PRO 5 1.228 2.767 2.426 33 1HB PRO 5 HB2 PRO 5 0.242 0.774 4.013 34 2HB PRO 5 HB1 PRO 5 -0.797 1.824 3.028 35 1HG PRO 5 HG2 PRO 5 0.139 -0.953 2.488 36 2HG PRO 5 HG1 PRO 5 -1.441 -0.217 2.181 37 1HD PRO 5 HD2 PRO 5 0.427 -0.600 0.239 38 2HD PRO 5 HD1 PRO 5 -0.771 0.712 0.194 39 H VAL 6 HN VAL 6 2.913 2.802 3.916 40 HA VAL 6 HA VAL 6 4.666 0.365 4.021 41 HB VAL 6 HB VAL 6 6.502 2.047 4.357 42 1HG1 VAL 6 HG11 VAL 6 6.773 2.332 2.085 43 2HG1 VAL 6 HG12 VAL 6 5.103 2.847 1.845 44 3HG1 VAL 6 HG13 VAL 6 5.475 1.138 2.068 45 1HG2 VAL 6 HG21 VAL 6 4.282 3.772 4.747 46 2HG2 VAL 6 HG22 VAL 6 5.088 4.309 3.273 47 3HG2 VAL 6 HG23 VAL 6 5.993 4.199 4.783 48 H ASP 7 HN ASP 7 6.044 0.353 6.074 49 HA ASP 7 HA ASP 7 4.271 0.888 8.399 50 1HB ASP 7 HB2 ASP 7 5.870 -0.622 9.533 51 2HB ASP 7 HB1 ASP 7 5.285 -1.338 8.031 52 H SER 8 HN SER 8 6.072 1.221 10.435 53 HA SER 8 HA SER 8 6.710 3.982 10.395 54 1HB SER 8 HB2 SER 8 8.210 3.191 12.371 55 2HB SER 8 HB1 SER 8 6.477 2.891 12.475 56 HG SER 8 HG SER 8 8.330 1.038 11.389 57 H LYS 9 HN LYS 9 8.463 1.260 9.111 58 HA LYS 9 HA LYS 9 11.001 2.795 8.948 59 1HB LYS 9 HB2 LYS 9 10.563 0.258 9.547 60 2HB LYS 9 HB1 LYS 9 10.524 0.064 7.794 61 1HG LYS 9 HG2 LYS 9 12.785 -0.168 8.057 62 2HG LYS 9 HG1 LYS 9 12.743 1.595 8.036 63 1HD LYS 9 HD2 LYS 9 13.670 1.558 10.089 64 2HD LYS 9 HD1 LYS 9 12.153 0.886 10.688 65 1HE LYS 9 HE2 LYS 9 13.258 -1.373 9.691 66 2HE LYS 9 HE1 LYS 9 14.733 -0.489 10.126 67 1HZ LYS 9 HZ1 LYS 9 14.315 -0.887 12.256 68 2HZ LYS 9 HZ2 LYS 9 12.911 -1.748 11.846 69 3HZ LYS 9 HZ3 LYS 9 12.829 -0.078 12.142 70 H GLY 10 HN GLY 10 8.206 2.182 7.064 71 1HA GLY 10 HA2 GLY 10 7.777 3.258 4.956 72 2HA GLY 10 HA1 GLY 10 9.517 3.434 4.721 73 H CYS 11 HN CYS 11 8.498 0.350 5.828 74 HA CYS 11 HA CYS 11 9.356 -0.888 3.302 75 1HB CYS 11 HB2 CYS 11 8.537 -1.783 6.063 76 2HB CYS 11 HB1 CYS 11 8.740 -2.962 4.767 77 H LYS 12 HN LYS 12 7.987 -1.836 1.802 78 HA LYS 12 HA LYS 12 5.258 -1.095 1.591 79 1HB LYS 12 HB2 LYS 12 6.811 -3.436 0.441 80 2HB LYS 12 HB1 LYS 12 5.252 -2.875 -0.166 81 1HG LYS 12 HG2 LYS 12 6.683 -0.539 -0.109 82 2HG LYS 12 HG1 LYS 12 7.937 -1.709 -0.522 83 1HD LYS 12 HD2 LYS 12 6.057 -2.595 -2.190 84 2HD LYS 12 HD1 LYS 12 5.494 -0.928 -2.057 85 1HE LYS 12 HE2 LYS 12 7.185 -0.181 -3.371 86 2HE LYS 12 HE1 LYS 12 8.393 -1.062 -2.414 87 1HZ LYS 12 HZ1 LYS 12 8.410 -2.145 -4.465 88 2HZ LYS 12 HZ2 LYS 12 6.721 -2.065 -4.638 89 3HZ LYS 12 HZ3 LYS 12 7.413 -3.128 -3.508 90 H LEU 13 HN LEU 13 3.330 -2.206 2.107 91 HA LEU 13 HA LEU 13 3.547 -4.191 4.282 92 1HB LEU 13 HB2 LEU 13 1.991 -2.401 4.584 93 2HB LEU 13 HB1 LEU 13 1.322 -2.620 2.967 94 HG LEU 13 HG LEU 13 0.426 -4.813 3.613 95 1HD1 LEU 13 HD11 LEU 13 1.614 -4.151 6.325 96 2HD1 LEU 13 HD12 LEU 13 2.162 -5.429 5.240 97 3HD1 LEU 13 HD13 LEU 13 0.567 -5.529 5.985 98 1HD2 LEU 13 HD21 LEU 13 -0.804 -2.608 4.093 99 2HD2 LEU 13 HD22 LEU 13 -0.316 -2.831 5.773 100 3HD2 LEU 13 HD23 LEU 13 -1.353 -4.024 4.991 101 H SER 14 HN SER 14 3.777 -6.310 3.655 102 HA SER 14 HA SER 14 3.182 -7.387 1.093 103 1HB SER 14 HB2 SER 14 3.332 -8.632 3.855 104 2HB SER 14 HB1 SER 14 3.321 -9.561 2.359 105 HG SER 14 HG SER 14 5.397 -9.227 2.421 106 H CYS 15 HN CYS 15 1.277 -8.144 0.202 107 HA CYS 15 HA CYS 15 -1.140 -8.230 1.984 108 1HB CYS 15 HB2 CYS 15 -2.368 -7.289 0.106 109 2HB CYS 15 HB1 CYS 15 -0.942 -6.288 0.386 110 H VAL 16 HN VAL 16 -2.416 -10.067 1.780 111 HA VAL 16 HA VAL 16 -1.730 -11.991 -0.417 112 HB VAL 16 HB VAL 16 -0.697 -12.634 1.719 113 1HG1 VAL 16 HG11 VAL 16 -1.734 -12.315 3.692 114 2HG1 VAL 16 HG12 VAL 16 -3.134 -13.251 3.166 115 3HG1 VAL 16 HG13 VAL 16 -3.039 -11.527 2.806 116 1HG2 VAL 16 HG21 VAL 16 -2.945 -14.542 1.710 117 2HG2 VAL 16 HG22 VAL 16 -1.229 -14.825 1.417 118 3HG2 VAL 16 HG23 VAL 16 -2.259 -14.231 0.115 119 H ALA 17 HN ALA 17 -4.149 -10.245 1.249 120 HA ALA 17 HA ALA 17 -6.270 -11.816 -0.155 121 1HB ALA 17 HB1 ALA 17 -5.924 -12.358 2.339 122 2HB ALA 17 HB2 ALA 17 -7.561 -11.918 1.852 123 3HB ALA 17 HB3 ALA 17 -6.533 -10.734 2.659 124 H ASN 18 HN ASN 18 -7.278 -10.371 -1.490 125 HA ASN 18 HA ASN 18 -6.973 -7.595 -1.576 126 1HB ASN 18 HB2 ASN 18 -9.290 -9.403 -2.312 127 2HB ASN 18 HB1 ASN 18 -9.194 -7.712 -2.804 128 1HD2 ASN 18 HD21 ASN 18 -8.852 -10.504 -4.262 129 2HD2 ASN 18 HD22 ASN 18 -7.464 -10.253 -5.206 130 H ASN 19 HN ASN 19 -9.456 -9.440 0.215 131 HA ASN 19 HA ASN 19 -11.029 -7.283 1.143 132 1HB ASN 19 HB2 ASN 19 -11.627 -8.893 2.947 133 2HB ASN 19 HB1 ASN 19 -11.591 -9.664 1.362 134 1HD2 ASN 19 HD21 ASN 19 -10.712 -11.721 1.631 135 2HD2 ASN 19 HD22 ASN 19 -9.337 -12.078 2.558 136 H TYR 20 HN TYR 20 -7.853 -8.364 2.188 137 HA TYR 20 HA TYR 20 -7.848 -6.989 4.743 138 1HB TYR 20 HB2 TYR 20 -6.354 -8.818 4.380 139 2HB TYR 20 HB1 TYR 20 -5.754 -8.122 2.876 140 HD1 TYR 20 HD1 TYR 20 -6.387 -5.990 5.799 141 HD2 TYR 20 HD2 TYR 20 -3.415 -8.217 3.640 142 HE1 TYR 20 HE1 TYR 20 -4.597 -4.818 7.053 143 HE2 TYR 20 HE2 TYR 20 -1.626 -7.046 4.894 144 HH TYR 20 HH TYR 20 -1.269 -5.818 6.869 145 H CYS 21 HN CYS 21 -6.043 -6.257 1.729 146 HA CYS 21 HA CYS 21 -5.289 -3.605 2.502 147 1HB CYS 21 HB2 CYS 21 -5.531 -5.169 -0.061 148 2HB CYS 21 HB1 CYS 21 -5.081 -3.463 -0.108 149 H ASP 22 HN ASP 22 -8.171 -4.918 0.961 150 HA ASP 22 HA ASP 22 -9.284 -2.525 -0.108 151 1HB ASP 22 HB2 ASP 22 -10.040 -4.825 -0.578 152 2HB ASP 22 HB1 ASP 22 -10.595 -4.987 1.089 153 H ASN 23 HN ASN 23 -10.322 -4.146 2.924 154 HA ASN 23 HA ASN 23 -11.824 -1.968 3.939 155 1HB ASN 23 HB2 ASN 23 -11.773 -4.380 4.690 156 2HB ASN 23 HB1 ASN 23 -10.249 -4.031 5.508 157 1HD2 ASN 23 HD21 ASN 23 -13.655 -3.946 5.877 158 2HD2 ASN 23 HD22 ASN 23 -13.711 -3.003 7.287 159 H GLN 24 HN GLN 24 -8.370 -2.757 4.360 160 HA GLN 24 HA GLN 24 -7.773 -0.728 6.291 161 1HB GLN 24 HB2 GLN 24 -6.407 -2.745 5.566 162 2HB GLN 24 HB1 GLN 24 -5.969 -1.833 4.121 163 1HG GLN 24 HG2 GLN 24 -4.202 -1.408 5.644 164 2HG GLN 24 HG1 GLN 24 -5.221 0.028 5.738 165 1HE2 GLN 24 HE21 GLN 24 -4.759 0.546 7.959 166 2HE2 GLN 24 HE22 GLN 24 -5.220 -0.460 9.247 167 H CYS 25 HN CYS 25 -6.932 -0.691 2.795 168 HA CYS 25 HA CYS 25 -6.128 1.933 2.486 169 1HB CYS 25 HB2 CYS 25 -7.944 0.249 0.730 170 2HB CYS 25 HB1 CYS 25 -7.127 1.712 0.180 171 H LYS 26 HN LYS 26 -9.541 0.836 2.259 172 HA LYS 26 HA LYS 26 -10.850 3.263 1.897 173 1HB LYS 26 HB2 LYS 26 -11.694 0.825 2.225 174 2HB LYS 26 HB1 LYS 26 -11.745 1.227 3.943 175 1HG LYS 26 HG2 LYS 26 -13.782 2.119 3.567 176 2HG LYS 26 HG1 LYS 26 -12.965 3.406 2.679 177 1HD LYS 26 HD2 LYS 26 -13.193 2.214 0.595 178 2HD LYS 26 HD1 LYS 26 -13.785 0.775 1.425 179 1HE LYS 26 HE2 LYS 26 -15.772 1.794 0.638 180 2HE LYS 26 HE1 LYS 26 -15.671 2.377 2.311 181 1HZ LYS 26 HZ1 LYS 26 -15.848 4.359 1.216 182 2HZ LYS 26 HZ2 LYS 26 -15.080 3.791 -0.190 183 3HZ LYS 26 HZ3 LYS 26 -14.162 4.183 1.186 184 H MET 27 HN MET 27 -9.892 1.849 5.047 185 HA MET 27 HA MET 27 -10.696 4.019 6.698 186 1HB MET 27 HB2 MET 27 -8.742 1.752 6.803 187 2HB MET 27 HB1 MET 27 -8.634 2.990 8.055 188 1HG MET 27 HG2 MET 27 -11.280 2.617 8.117 189 2HG MET 27 HG1 MET 27 -10.814 1.026 7.514 190 1HE MET 27 HE1 MET 27 -9.970 -0.939 10.200 191 2HE MET 27 HE2 MET 27 -8.596 -0.475 9.200 192 3HE MET 27 HE3 MET 27 -10.194 -0.621 8.475 193 H LYS 28 HN LYS 28 -8.026 3.671 4.504 194 HA LYS 28 HA LYS 28 -6.552 5.972 5.674 195 1HB LYS 28 HB2 LYS 28 -6.036 4.041 3.390 196 2HB LYS 28 HB1 LYS 28 -4.911 5.309 3.879 197 1HG LYS 28 HG2 LYS 28 -5.438 4.112 6.281 198 2HG LYS 28 HG1 LYS 28 -5.525 2.734 5.183 199 1HD LYS 28 HD2 LYS 28 -3.307 2.997 4.471 200 2HD LYS 28 HD1 LYS 28 -3.242 4.685 4.985 201 1HE LYS 28 HE2 LYS 28 -3.829 3.199 7.321 202 2HE LYS 28 HE1 LYS 28 -2.521 2.328 6.494 203 1HZ LYS 28 HZ1 LYS 28 -2.497 5.275 6.744 204 2HZ LYS 28 HZ2 LYS 28 -1.200 4.230 6.410 205 3HZ LYS 28 HZ3 LYS 28 -1.865 4.288 7.971 206 H LYS 29 HN LYS 29 -9.204 6.384 4.441 207 HA LYS 29 HA LYS 29 -10.223 7.931 3.001 208 1HB LYS 29 HB2 LYS 29 -8.238 9.176 4.082 209 2HB LYS 29 HB1 LYS 29 -7.422 8.944 2.534 210 1HG LYS 29 HG2 LYS 29 -8.501 10.752 1.779 211 2HG LYS 29 HG1 LYS 29 -10.000 9.837 1.879 212 1HD LYS 29 HD2 LYS 29 -8.783 11.525 4.086 213 2HD LYS 29 HD1 LYS 29 -10.225 11.917 3.147 214 1HE LYS 29 HE2 LYS 29 -11.343 9.880 4.023 215 2HE LYS 29 HE1 LYS 29 -9.906 9.531 5.004 216 1HZ LYS 29 HZ1 LYS 29 -11.776 10.921 6.055 217 2HZ LYS 29 HZ2 LYS 29 -11.184 12.189 5.092 218 3HZ LYS 29 HZ3 LYS 29 -10.177 11.452 6.245 219 H ALA 30 HN ALA 30 -8.582 5.403 1.943 220 HA ALA 30 HA ALA 30 -8.252 6.273 -0.886 221 1HB ALA 30 HB1 ALA 30 -7.758 3.477 -0.373 222 2HB ALA 30 HB2 ALA 30 -6.991 4.449 0.884 223 3HB ALA 30 HB3 ALA 30 -6.602 4.734 -0.813 224 H SER 31 HN SER 31 -9.330 5.030 -2.590 225 HA SER 31 HA SER 31 -11.909 3.801 -1.670 226 1HB SER 31 HB2 SER 31 -12.545 5.690 -2.854 227 2HB SER 31 HB1 SER 31 -11.102 5.668 -3.864 228 HG SER 31 HG SER 31 -13.047 3.630 -4.022 229 H GLY 32 HN GLY 32 -9.022 3.398 -3.573 230 1HA GLY 32 HA2 GLY 32 -10.081 0.786 -4.582 231 2HA GLY 32 HA1 GLY 32 -8.876 1.741 -5.449 232 H GLY 33 HN GLY 33 -9.414 -0.179 -2.521 233 1HA GLY 33 HA2 GLY 33 -6.445 -0.399 -2.236 234 2HA GLY 33 HA1 GLY 33 -7.579 -0.591 -0.898 235 H HIS 34 HN HIS 34 -5.620 -2.326 -2.850 236 HA HIS 34 HA HIS 34 -7.040 -4.835 -2.258 237 1HB HIS 34 HB2 HIS 34 -7.164 -5.472 -4.642 238 2HB HIS 34 HB1 HIS 34 -8.074 -3.992 -4.344 239 HD1 HIS 34 HD1 HIS 34 -7.501 -2.050 -5.802 240 HD2 HIS 34 HD2 HIS 34 -4.411 -4.846 -5.682 241 HE1 HIS 34 HE1 HIS 34 -5.743 -1.243 -7.436 242 H CYS 35 HN CYS 35 -5.641 -6.731 -2.910 243 HA CYS 35 HA CYS 35 -2.810 -6.103 -2.392 244 1HB CYS 35 HB2 CYS 35 -3.945 -7.950 -1.259 245 2HB CYS 35 HB1 CYS 35 -4.373 -8.673 -2.810 246 H TYR 36 HN TYR 36 -1.747 -5.350 -4.231 247 HA TYR 36 HA TYR 36 -2.062 -6.960 -6.747 248 1HB TYR 36 HB2 TYR 36 -2.366 -4.180 -6.159 249 2HB TYR 36 HB1 TYR 36 -0.944 -4.354 -7.189 250 HD1 TYR 36 HD1 TYR 36 -1.531 -3.861 -9.397 251 HD2 TYR 36 HD2 TYR 36 -4.176 -6.251 -7.000 252 HE1 TYR 36 HE1 TYR 36 -2.998 -4.214 -11.365 253 HE2 TYR 36 HE2 TYR 36 -5.643 -6.603 -8.968 254 HH TYR 36 HH TYR 36 -5.115 -4.881 -11.983 255 H ALA 37 HN ALA 37 -0.159 -7.761 -7.647 256 HA ALA 37 HA ALA 37 2.134 -8.333 -7.773 257 1HB ALA 37 HB1 ALA 37 3.147 -6.384 -8.301 258 2HB ALA 37 HB2 ALA 37 3.220 -5.951 -6.593 259 3HB ALA 37 HB3 ALA 37 1.811 -5.506 -7.556 260 H MET 38 HN MET 38 0.532 -8.710 -5.199 261 HA MET 38 HA MET 38 1.030 -9.679 -3.094 262 1HB MET 38 HB2 MET 38 3.312 -9.984 -4.746 263 2HB MET 38 HB1 MET 38 3.909 -9.429 -3.181 264 1HG MET 38 HG2 MET 38 1.832 -11.587 -3.237 265 2HG MET 38 HG1 MET 38 3.499 -12.010 -3.624 266 1HE MET 38 HE1 MET 38 3.208 -13.578 -2.071 267 2HE MET 38 HE2 MET 38 2.628 -13.405 -0.417 268 3HE MET 38 HE3 MET 38 4.357 -13.348 -0.746 269 H SER 39 HN SER 39 1.303 -6.599 -3.903 270 HA SER 39 HA SER 39 2.378 -5.768 -1.226 271 1HB SER 39 HB2 SER 39 2.673 -4.565 -3.988 272 2HB SER 39 HB1 SER 39 3.047 -3.662 -2.523 273 HG SER 39 HG SER 39 4.341 -5.706 -2.048 274 H CYS 40 HN CYS 40 0.991 -4.437 -0.059 275 HA CYS 40 HA CYS 40 -1.739 -4.136 -0.806 276 1HB CYS 40 HB2 CYS 40 -0.359 -3.922 1.450 277 2HB CYS 40 HB1 CYS 40 -0.371 -2.206 1.038 278 H TYR 41 HN TYR 41 -2.814 -2.520 -1.945 279 HA TYR 41 HA TYR 41 -1.270 -0.077 -2.718 280 1HB TYR 41 HB2 TYR 41 -1.115 -1.962 -4.404 281 2HB TYR 41 HB1 TYR 41 -2.859 -1.826 -4.616 282 HD1 TYR 41 HD1 TYR 41 -3.702 -0.353 -6.221 283 HD2 TYR 41 HD2 TYR 41 0.238 0.289 -4.635 284 HE1 TYR 41 HE1 TYR 41 -3.360 1.509 -7.823 285 HE2 TYR 41 HE2 TYR 41 0.579 2.152 -6.236 286 HH TYR 41 HH TYR 41 -1.444 2.678 -8.896 287 H CYS 42 HN CYS 42 -2.573 1.536 -1.877 288 HA CYS 42 HA CYS 42 -5.535 1.220 -2.025 289 1HB CYS 42 HB2 CYS 42 -3.854 3.329 -0.639 290 2HB CYS 42 HB1 CYS 42 -5.547 2.949 -0.333 291 H GLU 43 HN GLU 43 -6.813 2.966 -2.936 292 HA GLU 43 HA GLU 43 -5.286 4.743 -4.814 293 1HB GLU 43 HB2 GLU 43 -6.478 2.815 -5.865 294 2HB GLU 43 HB1 GLU 43 -7.991 3.416 -5.186 295 1HG GLU 43 HG2 GLU 43 -7.615 5.576 -6.400 296 2HG GLU 43 HG1 GLU 43 -6.206 4.849 -7.173 297 H GLY 44 HN GLY 44 -5.455 6.762 -3.859 298 1HA GLY 44 HA2 GLY 44 -7.078 8.689 -3.824 299 2HA GLY 44 HA1 GLY 44 -8.187 7.608 -2.981 300 H LEU 45 HN LEU 45 -4.874 7.277 -2.114 301 HA LEU 45 HA LEU 45 -5.333 7.909 0.636 302 1HB LEU 45 HB2 LEU 45 -2.878 7.655 -1.115 303 2HB LEU 45 HB1 LEU 45 -2.767 7.912 0.626 304 HG LEU 45 HG LEU 45 -4.352 5.657 -0.626 305 1HD1 LEU 45 HD11 LEU 45 -1.471 5.954 -0.106 306 2HD1 LEU 45 HD12 LEU 45 -2.318 4.777 -1.110 307 3HD1 LEU 45 HD13 LEU 45 -2.184 4.518 0.629 308 1HD2 LEU 45 HD21 LEU 45 -3.847 6.664 2.104 309 2HD2 LEU 45 HD22 LEU 45 -3.624 4.925 1.916 310 3HD2 LEU 45 HD23 LEU 45 -5.170 5.666 1.501 311 HA PRO 46 HA PRO 46 -4.934 12.276 0.735 312 1HB PRO 46 HB2 PRO 46 -3.686 12.648 3.142 313 2HB PRO 46 HB1 PRO 46 -5.384 12.151 3.002 314 1HG PRO 46 HG2 PRO 46 -2.975 10.507 3.589 315 2HG PRO 46 HG1 PRO 46 -4.611 10.393 4.256 316 1HD PRO 46 HD2 PRO 46 -3.646 8.728 2.318 317 2HD PRO 46 HD1 PRO 46 -5.369 9.112 2.520 318 H GLU 47 HN GLU 47 -3.274 14.051 0.808 319 HA GLU 47 HA GLU 47 -0.869 13.327 -0.632 320 1HB GLU 47 HB2 GLU 47 -1.993 15.432 -1.006 321 2HB GLU 47 HB1 GLU 47 -1.890 15.851 0.704 322 1HG GLU 47 HG2 GLU 47 0.605 15.845 0.505 323 2HG GLU 47 HG1 GLU 47 0.430 15.569 -1.228 324 H ASN 48 HN ASN 48 -1.629 13.174 2.664 325 HA ASN 48 HA ASN 48 1.245 13.531 3.444 326 1HB ASN 48 HB2 ASN 48 0.097 13.700 5.777 327 2HB ASN 48 HB1 ASN 48 -0.064 15.061 4.668 328 1HD2 ASN 48 HD21 ASN 48 -1.789 11.931 5.260 329 2HD2 ASN 48 HD22 ASN 48 -3.342 12.604 5.138 330 H ALA 49 HN ALA 49 -0.534 11.071 2.460 331 HA ALA 49 HA ALA 49 -0.412 9.221 4.707 332 1HB ALA 49 HB1 ALA 49 -0.493 8.316 1.865 333 2HB ALA 49 HB2 ALA 49 -1.807 9.354 2.416 334 3HB ALA 49 HB3 ALA 49 -1.497 7.818 3.227 335 H LYS 50 HN LYS 50 1.031 7.349 4.787 336 HA LYS 50 HA LYS 50 3.740 7.974 3.720 337 1HB LYS 50 HB2 LYS 50 3.077 7.446 6.182 338 2HB LYS 50 HB1 LYS 50 2.980 5.770 5.638 339 1HG LYS 50 HG2 LYS 50 5.205 5.927 6.352 340 2HG LYS 50 HG1 LYS 50 5.346 6.234 4.620 341 1HD LYS 50 HD2 LYS 50 5.428 8.623 4.978 342 2HD LYS 50 HD1 LYS 50 5.057 8.426 6.691 343 1HE LYS 50 HE2 LYS 50 7.589 7.568 5.254 344 2HE LYS 50 HE1 LYS 50 7.437 8.750 6.570 345 1HZ LYS 50 HZ1 LYS 50 6.239 6.711 7.704 346 2HZ LYS 50 HZ2 LYS 50 7.924 6.912 7.795 347 3HZ LYS 50 HZ3 LYS 50 7.253 5.831 6.669 348 H VAL 51 HN VAL 51 4.040 7.081 1.697 349 HA VAL 51 HA VAL 51 3.456 4.172 1.387 350 HB VAL 51 HB VAL 51 2.497 4.741 -0.875 351 1HG1 VAL 51 HG11 VAL 51 1.113 6.059 1.480 352 2HG1 VAL 51 HG12 VAL 51 1.066 4.333 1.120 353 3HG1 VAL 51 HG13 VAL 51 0.340 5.488 0.001 354 1HG2 VAL 51 HG21 VAL 51 3.679 7.166 -0.494 355 2HG2 VAL 51 HG22 VAL 51 2.024 7.537 -0.011 356 3HG2 VAL 51 HG23 VAL 51 2.350 6.897 -1.622 357 H SER 52 HN SER 52 4.545 3.320 -0.643 358 HA SER 52 HA SER 52 7.267 4.462 -0.865 359 1HB SER 52 HB2 SER 52 7.362 2.159 -0.621 360 2HB SER 52 HB1 SER 52 5.837 1.907 -1.465 361 HG SER 52 HG SER 52 8.188 1.572 -2.456 362 H ASP 53 HN ASP 53 8.098 5.312 -2.812 363 HA ASP 53 HA ASP 53 6.088 5.749 -4.994 364 1HB ASP 53 HB2 ASP 53 7.476 7.749 -5.479 365 2HB ASP 53 HB1 ASP 53 6.916 7.748 -3.806 366 H SER 54 HN SER 54 7.587 3.294 -4.869 367 HA SER 54 HA SER 54 9.008 3.482 -7.461 368 1HB SER 54 HB2 SER 54 11.081 2.672 -6.564 369 2HB SER 54 HB1 SER 54 10.580 3.991 -5.511 370 HG SER 54 HG SER 54 10.956 2.426 -4.092 371 H ALA 55 HN ALA 55 8.473 1.679 -8.635 372 HA ALA 55 HA ALA 55 6.985 -0.506 -7.355 373 1HB ALA 55 HB1 ALA 55 7.859 0.170 -10.176 374 2HB ALA 55 HB2 ALA 55 6.243 0.321 -9.486 375 3HB ALA 55 HB3 ALA 55 6.927 -1.276 -9.788 376 H THR 56 HN THR 56 10.203 0.094 -7.426 377 HA THR 56 HA THR 56 10.849 -2.817 -7.399 378 HB THR 56 HB THR 56 12.882 -2.235 -8.809 379 HG1 THR 56 HG1 THR 56 11.544 -0.012 -9.758 380 1HG2 THR 56 HG21 THR 56 10.358 -2.959 -9.553 381 2HG2 THR 56 HG22 THR 56 11.718 -2.836 -10.669 382 3HG2 THR 56 HG23 THR 56 10.584 -1.495 -10.510 383 H ASN 57 HN ASN 57 10.867 -2.128 -5.015 384 HA ASN 57 HA ASN 57 13.634 -1.500 -4.238 385 1HB ASN 57 HB2 ASN 57 13.147 0.557 -3.153 386 2HB ASN 57 HB1 ASN 57 12.292 0.668 -4.691 387 1HD2 ASN 57 HD21 ASN 57 11.867 1.220 -1.433 388 2HD2 ASN 57 HD22 ASN 57 10.181 1.040 -1.337 389 H ILE 58 HN ILE 58 14.017 -2.977 -2.644 390 HA ILE 58 HA ILE 58 11.755 -3.705 -0.811 391 HB ILE 58 HB ILE 58 14.083 -5.235 -1.989 392 1HG1 ILE 58 HG12 ILE 58 11.250 -6.193 -1.827 393 2HG1 ILE 58 HG11 ILE 58 11.637 -4.927 -2.993 394 1HG2 ILE 58 HG21 ILE 58 14.222 -6.442 -0.092 395 2HG2 ILE 58 HG22 ILE 58 12.559 -6.964 -0.366 396 3HG2 ILE 58 HG23 ILE 58 12.886 -5.544 0.629 397 1HD1 ILE 58 HD11 ILE 58 13.546 -7.182 -2.928 398 2HD1 ILE 58 HD12 ILE 58 12.852 -6.335 -4.310 399 3HD1 ILE 58 HD13 ILE 58 11.928 -7.595 -3.493 400 H CYS 59 HN CYS 59 12.230 -3.767 1.430 401 HA CYS 59 HA CYS 59 14.840 -2.515 2.203 402 1HB CYS 59 HB2 CYS 59 13.563 -1.753 4.180 403 2HB CYS 59 HB1 CYS 59 12.753 -1.269 2.690 404 H GLY 60 HN GLY 60 16.071 -3.505 3.849 405 1HA GLY 60 HA2 GLY 60 15.077 -5.723 5.425 406 2HA GLY 60 HA1 GLY 60 16.117 -6.278 4.111 Start of MODEL 3 1 1H LYS 1 HT1 LYS 1 -3.451 10.521 -2.676 2 2H LYS 1 HT2 LYS 1 -4.093 11.477 -3.924 3 3H LYS 1 HT3 LYS 1 -2.667 11.953 -3.135 4 HA LYS 1 HA LYS 1 -2.691 10.662 -5.480 5 1HB LYS 1 HB2 LYS 1 -0.315 10.288 -4.928 6 2HB LYS 1 HB1 LYS 1 -0.855 11.846 -4.299 7 1HG LYS 1 HG2 LYS 1 -1.233 10.803 -2.081 8 2HG LYS 1 HG1 LYS 1 -0.635 9.269 -2.714 9 1HD LYS 1 HD2 LYS 1 1.471 10.658 -3.398 10 2HD LYS 1 HD1 LYS 1 0.877 11.822 -2.213 11 1HE LYS 1 HE2 LYS 1 0.675 9.324 -0.929 12 2HE LYS 1 HE1 LYS 1 2.252 9.309 -1.744 13 1HZ LYS 1 HZ1 LYS 1 2.676 11.529 -0.851 14 2HZ LYS 1 HZ2 LYS 1 2.431 10.404 0.399 15 3HZ LYS 1 HZ3 LYS 1 1.197 11.493 -0.024 16 H ASP 2 HN ASP 2 -1.660 8.458 -5.978 17 HA ASP 2 HA ASP 2 -2.931 6.358 -4.255 18 1HB ASP 2 HB2 ASP 2 -2.062 6.078 -7.136 19 2HB ASP 2 HB1 ASP 2 -3.288 5.153 -6.269 20 H GLY 3 HN GLY 3 -1.664 4.368 -3.947 21 1HA GLY 3 HA2 GLY 3 0.885 3.786 -4.907 22 2HA GLY 3 HA1 GLY 3 1.165 4.895 -3.568 23 H TYR 4 HN TYR 4 2.268 3.004 -2.622 24 HA TYR 4 HA TYR 4 0.355 1.047 -1.392 25 1HB TYR 4 HB2 TYR 4 3.348 0.797 -1.822 26 2HB TYR 4 HB1 TYR 4 2.227 -0.490 -1.376 27 HD1 TYR 4 HD1 TYR 4 1.188 -1.782 -3.033 28 HD2 TYR 4 HD2 TYR 4 2.915 2.011 -4.079 29 HE1 TYR 4 HE1 TYR 4 0.758 -2.248 -5.430 30 HE2 TYR 4 HE2 TYR 4 2.485 1.545 -6.478 31 HH TYR 4 HH TYR 4 1.132 -1.573 -7.528 32 HA PRO 5 HA PRO 5 1.498 3.283 2.294 33 1HB PRO 5 HB2 PRO 5 0.012 1.773 4.024 34 2HB PRO 5 HB1 PRO 5 -0.691 3.028 2.984 35 1HG PRO 5 HG2 PRO 5 -0.653 0.073 2.621 36 2HG PRO 5 HG1 PRO 5 -1.943 1.236 2.277 37 1HD PRO 5 HD2 PRO 5 -0.332 0.179 0.353 38 2HD PRO 5 HD1 PRO 5 -1.082 1.786 0.226 39 H VAL 6 HN VAL 6 3.112 2.939 3.804 40 HA VAL 6 HA VAL 6 4.286 0.185 3.944 41 HB VAL 6 HB VAL 6 6.306 1.542 4.721 42 1HG1 VAL 6 HG11 VAL 6 6.035 0.738 2.393 43 2HG1 VAL 6 HG12 VAL 6 6.839 2.306 2.443 44 3HG1 VAL 6 HG13 VAL 6 5.136 2.204 1.999 45 1HG2 VAL 6 HG21 VAL 6 6.273 3.903 4.537 46 2HG2 VAL 6 HG22 VAL 6 4.744 3.519 5.329 47 3HG2 VAL 6 HG23 VAL 6 4.776 3.895 3.607 48 H ASP 7 HN ASP 7 5.351 -0.271 6.147 49 HA ASP 7 HA ASP 7 3.409 0.454 8.287 50 1HB ASP 7 HB2 ASP 7 4.506 -1.480 9.433 51 2HB ASP 7 HB1 ASP 7 3.872 -1.910 7.845 52 H SER 8 HN SER 8 4.646 0.452 10.568 53 HA SER 8 HA SER 8 6.075 2.852 10.844 54 1HB SER 8 HB2 SER 8 6.905 1.534 12.991 55 2HB SER 8 HB1 SER 8 5.202 1.939 12.802 56 HG SER 8 HG SER 8 4.856 -0.124 12.856 57 H LYS 9 HN LYS 9 7.219 -0.238 9.724 58 HA LYS 9 HA LYS 9 10.046 0.273 10.296 59 1HB LYS 9 HB2 LYS 9 9.177 -1.990 10.218 60 2HB LYS 9 HB1 LYS 9 8.534 -1.732 8.596 61 1HG LYS 9 HG2 LYS 9 10.578 -1.969 7.598 62 2HG LYS 9 HG1 LYS 9 11.434 -1.203 8.937 63 1HD LYS 9 HD2 LYS 9 11.945 -3.207 9.822 64 2HD LYS 9 HD1 LYS 9 10.246 -3.681 9.824 65 1HE LYS 9 HE2 LYS 9 10.404 -4.426 7.499 66 2HE LYS 9 HE1 LYS 9 12.081 -3.853 7.406 67 1HZ LYS 9 HZ1 LYS 9 12.433 -6.008 8.040 68 2HZ LYS 9 HZ2 LYS 9 10.974 -6.122 8.902 69 3HZ LYS 9 HZ3 LYS 9 12.296 -5.289 9.569 70 H GLY 10 HN GLY 10 7.893 0.512 7.459 71 1HA GLY 10 HA2 GLY 10 8.364 2.384 5.879 72 2HA GLY 10 HA1 GLY 10 10.079 2.028 6.087 73 H CYS 11 HN CYS 11 7.851 -0.625 5.884 74 HA CYS 11 HA CYS 11 8.847 -1.190 3.108 75 1HB CYS 11 HB2 CYS 11 8.108 -3.057 5.386 76 2HB CYS 11 HB1 CYS 11 8.705 -3.563 3.806 77 H LYS 12 HN LYS 12 7.296 -1.866 1.592 78 HA LYS 12 HA LYS 12 4.662 -1.010 1.659 79 1HB LYS 12 HB2 LYS 12 6.146 -3.235 0.305 80 2HB LYS 12 HB1 LYS 12 4.398 -3.142 0.088 81 1HG LYS 12 HG2 LYS 12 4.617 -1.437 -1.365 82 2HG LYS 12 HG1 LYS 12 5.565 -0.515 -0.198 83 1HD LYS 12 HD2 LYS 12 6.903 -0.908 -2.208 84 2HD LYS 12 HD1 LYS 12 7.585 -1.812 -0.856 85 1HE LYS 12 HE2 LYS 12 7.528 -3.551 -2.367 86 2HE LYS 12 HE1 LYS 12 5.835 -3.661 -1.849 87 1HZ LYS 12 HZ1 LYS 12 6.040 -1.587 -3.719 88 2HZ LYS 12 HZ2 LYS 12 5.208 -3.059 -3.878 89 3HZ LYS 12 HZ3 LYS 12 6.826 -2.938 -4.378 90 H LEU 13 HN LEU 13 2.702 -1.844 2.432 91 HA LEU 13 HA LEU 13 2.850 -3.791 4.611 92 1HB LEU 13 HB2 LEU 13 1.432 -1.633 4.336 93 2HB LEU 13 HB1 LEU 13 0.366 -2.635 3.350 94 HG LEU 13 HG LEU 13 0.295 -4.278 5.281 95 1HD1 LEU 13 HD11 LEU 13 2.408 -2.853 6.240 96 2HD1 LEU 13 HD12 LEU 13 1.365 -3.852 7.252 97 3HD1 LEU 13 HD13 LEU 13 1.086 -2.114 7.143 98 1HD2 LEU 13 HD21 LEU 13 -0.704 -1.458 5.797 99 2HD2 LEU 13 HD22 LEU 13 -1.319 -2.919 6.570 100 3HD2 LEU 13 HD23 LEU 13 -1.535 -2.682 4.837 101 H SER 14 HN SER 14 3.356 -5.815 3.627 102 HA SER 14 HA SER 14 2.409 -7.014 1.323 103 1HB SER 14 HB2 SER 14 2.400 -8.536 3.912 104 2HB SER 14 HB1 SER 14 3.071 -9.007 2.353 105 HG SER 14 HG SER 14 4.825 -8.412 3.458 106 H CYS 15 HN CYS 15 0.466 -7.900 0.629 107 HA CYS 15 HA CYS 15 -1.845 -7.783 2.545 108 1HB CYS 15 HB2 CYS 15 -3.174 -7.320 0.457 109 2HB CYS 15 HB1 CYS 15 -1.972 -6.078 0.805 110 H VAL 16 HN VAL 16 -3.137 -9.646 2.641 111 HA VAL 16 HA VAL 16 -2.239 -11.951 0.945 112 HB VAL 16 HB VAL 16 -1.954 -11.875 3.513 113 1HG1 VAL 16 HG11 VAL 16 -3.875 -12.291 4.866 114 2HG1 VAL 16 HG12 VAL 16 -4.893 -12.587 3.457 115 3HG1 VAL 16 HG13 VAL 16 -4.326 -10.955 3.807 116 1HG2 VAL 16 HG21 VAL 16 -2.415 -14.243 3.696 117 2HG2 VAL 16 HG22 VAL 16 -1.861 -13.927 2.051 118 3HG2 VAL 16 HG23 VAL 16 -3.578 -14.167 2.373 119 H ALA 17 HN ALA 17 -4.770 -9.769 1.396 120 HA ALA 17 HA ALA 17 -6.594 -11.449 -0.227 121 1HB ALA 17 HB1 ALA 17 -7.493 -12.153 1.770 122 2HB ALA 17 HB2 ALA 17 -8.347 -10.615 1.656 123 3HB ALA 17 HB3 ALA 17 -6.896 -10.746 2.649 124 H ASN 18 HN ASN 18 -8.622 -10.075 -0.773 125 HA ASN 18 HA ASN 18 -7.706 -7.385 -1.567 126 1HB ASN 18 HB2 ASN 18 -9.910 -9.299 -2.212 127 2HB ASN 18 HB1 ASN 18 -10.195 -7.590 -2.543 128 1HD2 ASN 18 HD21 ASN 18 -9.931 -9.537 -4.654 129 2HD2 ASN 18 HD22 ASN 18 -8.516 -9.182 -5.521 130 H ASN 19 HN ASN 19 -10.584 -8.708 0.124 131 HA ASN 19 HA ASN 19 -11.811 -6.346 0.948 132 1HB ASN 19 HB2 ASN 19 -12.656 -7.739 2.819 133 2HB ASN 19 HB1 ASN 19 -12.648 -8.640 1.303 134 1HD2 ASN 19 HD21 ASN 19 -12.450 -9.770 4.054 135 2HD2 ASN 19 HD22 ASN 19 -10.973 -10.606 4.110 136 H TYR 20 HN TYR 20 -9.066 -8.008 2.517 137 HA TYR 20 HA TYR 20 -8.800 -6.447 4.843 138 1HB TYR 20 HB2 TYR 20 -7.422 -8.338 4.617 139 2HB TYR 20 HB1 TYR 20 -6.928 -7.898 2.983 140 HD1 TYR 20 HD1 TYR 20 -6.898 -6.155 6.319 141 HD2 TYR 20 HD2 TYR 20 -4.672 -7.368 2.852 142 HE1 TYR 20 HE1 TYR 20 -4.876 -5.039 7.225 143 HE2 TYR 20 HE2 TYR 20 -2.651 -6.253 3.757 144 HH TYR 20 HH TYR 20 -1.739 -5.340 5.629 145 H CYS 21 HN CYS 21 -6.892 -5.915 1.842 146 HA CYS 21 HA CYS 21 -5.870 -3.377 2.507 147 1HB CYS 21 HB2 CYS 21 -6.587 -4.793 -0.054 148 2HB CYS 21 HB1 CYS 21 -5.934 -3.155 -0.101 149 H ASP 22 HN ASP 22 -8.929 -4.177 0.832 150 HA ASP 22 HA ASP 22 -9.887 -1.654 0.164 151 1HB ASP 22 HB2 ASP 22 -10.904 -4.041 -0.016 152 2HB ASP 22 HB1 ASP 22 -11.594 -3.707 1.573 153 H ASN 23 HN ASN 23 -10.372 -3.259 3.339 154 HA ASN 23 HA ASN 23 -11.544 -0.962 4.612 155 1HB ASN 23 HB2 ASN 23 -11.923 -3.100 5.557 156 2HB ASN 23 HB1 ASN 23 -10.211 -3.520 5.503 157 1HD2 ASN 23 HD21 ASN 23 -12.689 -2.153 7.485 158 2HD2 ASN 23 HD22 ASN 23 -11.689 -1.641 8.758 159 H GLN 24 HN GLN 24 -8.241 -2.354 4.924 160 HA GLN 24 HA GLN 24 -7.055 -0.428 6.555 161 1HB GLN 24 HB2 GLN 24 -6.061 -2.538 5.580 162 2HB GLN 24 HB1 GLN 24 -5.832 -1.661 4.066 163 1HG GLN 24 HG2 GLN 24 -3.754 -1.456 5.198 164 2HG GLN 24 HG1 GLN 24 -4.567 0.087 5.465 165 1HE2 GLN 24 HE21 GLN 24 -4.108 0.713 7.583 166 2HE2 GLN 24 HE22 GLN 24 -4.202 -0.305 8.938 167 H CYS 25 HN CYS 25 -6.992 -0.331 2.965 168 HA CYS 25 HA CYS 25 -5.934 2.230 2.588 169 1HB CYS 25 HB2 CYS 25 -8.141 0.737 1.128 170 2HB CYS 25 HB1 CYS 25 -7.326 2.157 0.474 171 H LYS 26 HN LYS 26 -9.395 1.382 2.944 172 HA LYS 26 HA LYS 26 -10.566 3.913 2.842 173 1HB LYS 26 HB2 LYS 26 -11.697 1.703 3.078 174 2HB LYS 26 HB1 LYS 26 -11.174 1.639 4.762 175 1HG LYS 26 HG2 LYS 26 -12.336 4.059 4.791 176 2HG LYS 26 HG1 LYS 26 -13.278 3.324 3.493 177 1HD LYS 26 HD2 LYS 26 -13.388 1.289 5.209 178 2HD LYS 26 HD1 LYS 26 -13.132 2.581 6.383 179 1HE LYS 26 HE2 LYS 26 -15.312 2.593 4.263 180 2HE LYS 26 HE1 LYS 26 -15.561 2.192 5.973 181 1HZ LYS 26 HZ1 LYS 26 -15.705 4.368 6.359 182 2HZ LYS 26 HZ2 LYS 26 -15.256 4.753 4.768 183 3HZ LYS 26 HZ3 LYS 26 -14.065 4.512 5.955 184 H MET 27 HN MET 27 -9.143 2.313 5.714 185 HA MET 27 HA MET 27 -9.627 4.374 7.602 186 1HB MET 27 HB2 MET 27 -7.507 2.252 7.236 187 2HB MET 27 HB1 MET 27 -7.499 3.315 8.643 188 1HG MET 27 HG2 MET 27 -9.399 2.379 9.536 189 2HG MET 27 HG1 MET 27 -10.088 2.015 7.953 190 1HE MET 27 HE1 MET 27 -8.998 0.569 11.021 191 2HE MET 27 HE2 MET 27 -7.379 1.107 10.582 192 3HE MET 27 HE3 MET 27 -7.719 -0.616 10.717 193 H LYS 28 HN LYS 28 -7.114 4.023 5.144 194 HA LYS 28 HA LYS 28 -5.642 6.400 6.103 195 1HB LYS 28 HB2 LYS 28 -5.355 4.529 3.728 196 2HB LYS 28 HB1 LYS 28 -4.201 5.799 4.136 197 1HG LYS 28 HG2 LYS 28 -4.854 4.087 6.421 198 2HG LYS 28 HG1 LYS 28 -4.128 3.194 5.083 199 1HD LYS 28 HD2 LYS 28 -2.311 4.936 5.000 200 2HD LYS 28 HD1 LYS 28 -2.990 5.638 6.469 201 1HE LYS 28 HE2 LYS 28 -1.907 2.814 6.160 202 2HE LYS 28 HE1 LYS 28 -1.198 4.124 7.126 203 1HZ LYS 28 HZ1 LYS 28 -2.479 3.194 8.730 204 2HZ LYS 28 HZ2 LYS 28 -3.591 2.532 7.629 205 3HZ LYS 28 HZ3 LYS 28 -3.673 4.180 8.036 206 H LYS 29 HN LYS 29 -8.514 6.245 4.774 207 HA LYS 29 HA LYS 29 -9.781 7.771 3.492 208 1HB LYS 29 HB2 LYS 29 -7.899 9.224 4.681 209 2HB LYS 29 HB1 LYS 29 -7.299 9.382 3.029 210 1HG LYS 29 HG2 LYS 29 -10.182 9.915 3.764 211 2HG LYS 29 HG1 LYS 29 -8.949 11.175 3.781 212 1HD LYS 29 HD2 LYS 29 -8.421 10.627 1.398 213 2HD LYS 29 HD1 LYS 29 -9.764 9.483 1.403 214 1HE LYS 29 HE2 LYS 29 -10.492 12.160 2.406 215 2HE LYS 29 HE1 LYS 29 -10.008 12.129 0.698 216 1HZ LYS 29 HZ1 LYS 29 -11.567 10.471 0.212 217 2HZ LYS 29 HZ2 LYS 29 -12.417 11.555 1.206 218 3HZ LYS 29 HZ3 LYS 29 -11.827 10.096 1.846 219 H ALA 30 HN ALA 30 -8.891 5.534 2.127 220 HA ALA 30 HA ALA 30 -7.822 6.598 -0.464 221 1HB ALA 30 HB1 ALA 30 -6.395 4.901 0.312 222 2HB ALA 30 HB2 ALA 30 -7.482 4.006 -0.751 223 3HB ALA 30 HB3 ALA 30 -7.725 3.966 0.995 224 H SER 31 HN SER 31 -8.714 5.113 -2.365 225 HA SER 31 HA SER 31 -11.667 4.736 -1.970 226 1HB SER 31 HB2 SER 31 -10.945 5.433 -4.675 227 2HB SER 31 HB1 SER 31 -11.984 6.311 -3.557 228 HG SER 31 HG SER 31 -10.289 7.473 -2.875 229 H GLY 32 HN GLY 32 -8.780 3.807 -3.837 230 1HA GLY 32 HA2 GLY 32 -10.193 1.287 -4.613 231 2HA GLY 32 HA1 GLY 32 -8.858 1.995 -5.527 232 H GLY 33 HN GLY 33 -9.676 0.381 -2.482 233 1HA GLY 33 HA2 GLY 33 -6.781 -0.100 -1.992 234 2HA GLY 33 HA1 GLY 33 -8.067 -0.342 -0.810 235 H HIS 34 HN HIS 34 -5.961 -1.980 -2.750 236 HA HIS 34 HA HIS 34 -7.483 -4.489 -2.441 237 1HB HIS 34 HB2 HIS 34 -7.686 -4.936 -4.756 238 2HB HIS 34 HB1 HIS 34 -8.100 -3.228 -4.630 239 HD1 HIS 34 HD1 HIS 34 -5.663 -1.684 -4.758 240 HD2 HIS 34 HD2 HIS 34 -5.918 -5.293 -6.828 241 HE1 HIS 34 HE1 HIS 34 -3.880 -1.606 -6.555 242 H CYS 35 HN CYS 35 -6.072 -6.386 -3.049 243 HA CYS 35 HA CYS 35 -3.261 -5.828 -2.295 244 1HB CYS 35 HB2 CYS 35 -4.548 -7.582 -1.161 245 2HB CYS 35 HB1 CYS 35 -4.876 -8.367 -2.706 246 H TYR 36 HN TYR 36 -1.624 -5.826 -3.790 247 HA TYR 36 HA TYR 36 -1.946 -7.347 -6.327 248 1HB TYR 36 HB2 TYR 36 -2.788 -4.884 -6.417 249 2HB TYR 36 HB1 TYR 36 -1.077 -4.457 -6.352 250 HD1 TYR 36 HD1 TYR 36 -0.453 -3.772 -8.509 251 HD2 TYR 36 HD2 TYR 36 -2.830 -7.317 -8.019 252 HE1 TYR 36 HE1 TYR 36 -0.240 -4.249 -10.934 253 HE2 TYR 36 HE2 TYR 36 -2.618 -7.794 -10.443 254 HH TYR 36 HH TYR 36 -2.052 -6.852 -12.456 255 H ALA 37 HN ALA 37 0.082 -7.936 -7.238 256 HA ALA 37 HA ALA 37 2.380 -8.488 -7.145 257 1HB ALA 37 HB1 ALA 37 2.064 -5.834 -7.410 258 2HB ALA 37 HB2 ALA 37 3.662 -6.566 -7.261 259 3HB ALA 37 HB3 ALA 37 2.887 -5.844 -5.851 260 H MET 38 HN MET 38 0.649 -8.989 -4.709 261 HA MET 38 HA MET 38 1.057 -9.943 -2.578 262 1HB MET 38 HB2 MET 38 3.469 -10.066 -4.043 263 2HB MET 38 HB1 MET 38 3.909 -9.452 -2.448 264 1HG MET 38 HG2 MET 38 2.743 -11.330 -1.381 265 2HG MET 38 HG1 MET 38 2.248 -11.938 -2.960 266 1HE MET 38 HE1 MET 38 2.838 -13.915 -2.373 267 2HE MET 38 HE2 MET 38 4.362 -14.522 -1.730 268 3HE MET 38 HE3 MET 38 4.112 -14.461 -3.472 269 H SER 39 HN SER 39 1.410 -6.786 -3.406 270 HA SER 39 HA SER 39 2.059 -5.961 -0.592 271 1HB SER 39 HB2 SER 39 2.499 -4.481 -3.204 272 2HB SER 39 HB1 SER 39 3.010 -3.939 -1.608 273 HG SER 39 HG SER 39 3.830 -6.333 -2.906 274 H CYS 40 HN CYS 40 0.510 -4.700 0.418 275 HA CYS 40 HA CYS 40 -2.115 -4.399 -0.712 276 1HB CYS 40 HB2 CYS 40 -1.305 -4.507 1.734 277 2HB CYS 40 HB1 CYS 40 -0.917 -2.796 1.556 278 H TYR 41 HN TYR 41 -3.049 -2.625 -1.761 279 HA TYR 41 HA TYR 41 -1.414 -0.140 -2.026 280 1HB TYR 41 HB2 TYR 41 -0.852 -1.497 -3.936 281 2HB TYR 41 HB1 TYR 41 -2.547 -1.893 -4.221 282 HD1 TYR 41 HD1 TYR 41 -4.111 -0.197 -5.099 283 HD2 TYR 41 HD2 TYR 41 0.068 0.648 -4.581 284 HE1 TYR 41 HE1 TYR 41 -4.341 1.818 -6.528 285 HE2 TYR 41 HE2 TYR 41 -0.160 2.661 -6.009 286 HH TYR 41 HH TYR 41 -3.114 3.335 -7.772 287 H CYS 42 HN CYS 42 -2.669 1.732 -2.306 288 HA CYS 42 HA CYS 42 -5.647 1.355 -2.299 289 1HB CYS 42 HB2 CYS 42 -4.081 3.522 -0.875 290 2HB CYS 42 HB1 CYS 42 -5.771 3.085 -0.636 291 H GLU 43 HN GLU 43 -6.825 3.005 -3.437 292 HA GLU 43 HA GLU 43 -5.125 4.716 -5.223 293 1HB GLU 43 HB2 GLU 43 -6.610 2.669 -6.020 294 2HB GLU 43 HB1 GLU 43 -7.918 3.847 -5.892 295 1HG GLU 43 HG2 GLU 43 -6.938 5.281 -7.500 296 2HG GLU 43 HG1 GLU 43 -5.368 4.486 -7.374 297 H GLY 44 HN GLY 44 -5.225 6.663 -4.050 298 1HA GLY 44 HA2 GLY 44 -6.727 8.720 -4.224 299 2HA GLY 44 HA1 GLY 44 -7.970 7.711 -3.483 300 H LEU 45 HN LEU 45 -4.666 7.358 -2.428 301 HA LEU 45 HA LEU 45 -5.329 7.913 0.318 302 1HB LEU 45 HB2 LEU 45 -2.802 7.554 -1.298 303 2HB LEU 45 HB1 LEU 45 -2.730 7.910 0.427 304 HG LEU 45 HG LEU 45 -4.494 5.684 -0.557 305 1HD1 LEU 45 HD11 LEU 45 -2.679 4.626 -1.404 306 2HD1 LEU 45 HD12 LEU 45 -2.152 4.453 0.270 307 3HD1 LEU 45 HD13 LEU 45 -1.569 5.803 -0.703 308 1HD2 LEU 45 HD21 LEU 45 -4.487 5.035 1.656 309 2HD2 LEU 45 HD22 LEU 45 -4.174 6.755 1.887 310 3HD2 LEU 45 HD23 LEU 45 -2.839 5.603 1.925 311 HA PRO 46 HA PRO 46 -4.676 12.252 0.535 312 1HB PRO 46 HB2 PRO 46 -3.427 12.532 2.953 313 2HB PRO 46 HB1 PRO 46 -5.143 12.110 2.798 314 1HG PRO 46 HG2 PRO 46 -2.818 10.378 3.421 315 2HG PRO 46 HG1 PRO 46 -4.485 10.288 4.007 316 1HD PRO 46 HD2 PRO 46 -3.422 8.671 2.040 317 2HD PRO 46 HD1 PRO 46 -5.155 8.995 2.258 318 H GLU 47 HN GLU 47 -3.072 13.827 0.062 319 HA GLU 47 HA GLU 47 -0.612 12.961 -1.083 320 1HB GLU 47 HB2 GLU 47 -1.848 15.042 -1.612 321 2HB GLU 47 HB1 GLU 47 -1.455 15.673 -0.011 322 1HG GLU 47 HG2 GLU 47 0.658 16.213 -0.618 323 2HG GLU 47 HG1 GLU 47 0.886 14.697 -1.490 324 H ASN 48 HN ASN 48 -1.449 13.362 2.213 325 HA ASN 48 HA ASN 48 1.396 13.814 3.007 326 1HB ASN 48 HB2 ASN 48 0.429 14.458 5.144 327 2HB ASN 48 HB1 ASN 48 -0.474 15.266 3.862 328 1HD2 ASN 48 HD21 ASN 48 -2.004 15.155 6.009 329 2HD2 ASN 48 HD22 ASN 48 -3.104 13.862 5.994 330 H ALA 49 HN ALA 49 -0.290 11.184 2.208 331 HA ALA 49 HA ALA 49 0.102 9.553 4.626 332 1HB ALA 49 HB1 ALA 49 -0.531 7.789 2.717 333 2HB ALA 49 HB2 ALA 49 -1.019 9.257 1.869 334 3HB ALA 49 HB3 ALA 49 -1.748 8.851 3.423 335 H LYS 50 HN LYS 50 1.547 7.672 4.629 336 HA LYS 50 HA LYS 50 4.041 8.182 3.075 337 1HB LYS 50 HB2 LYS 50 3.678 7.853 5.694 338 2HB LYS 50 HB1 LYS 50 3.777 6.147 5.258 339 1HG LYS 50 HG2 LYS 50 6.012 6.287 5.043 340 2HG LYS 50 HG1 LYS 50 5.851 7.614 3.892 341 1HD LYS 50 HD2 LYS 50 6.476 9.120 5.445 342 2HD LYS 50 HD1 LYS 50 5.259 8.528 6.576 343 1HE LYS 50 HE2 LYS 50 7.999 7.279 6.135 344 2HE LYS 50 HE1 LYS 50 7.515 8.246 7.541 345 1HZ LYS 50 HZ1 LYS 50 5.576 6.249 6.987 346 2HZ LYS 50 HZ2 LYS 50 6.465 6.509 8.411 347 3HZ LYS 50 HZ3 LYS 50 7.102 5.534 7.175 348 H VAL 51 HN VAL 51 3.933 7.086 1.129 349 HA VAL 51 HA VAL 51 3.329 4.159 1.267 350 HB VAL 51 HB VAL 51 2.152 4.514 -0.950 351 1HG1 VAL 51 HG11 VAL 51 1.208 5.757 1.625 352 2HG1 VAL 51 HG12 VAL 51 0.700 4.242 0.878 353 3HG1 VAL 51 HG13 VAL 51 0.183 5.782 0.190 354 1HG2 VAL 51 HG21 VAL 51 3.318 6.730 -1.360 355 2HG2 VAL 51 HG22 VAL 51 2.257 7.433 -0.138 356 3HG2 VAL 51 HG23 VAL 51 1.573 6.756 -1.617 357 H SER 52 HN SER 52 4.128 3.076 -0.830 358 HA SER 52 HA SER 52 6.866 4.040 -1.390 359 1HB SER 52 HB2 SER 52 6.526 1.704 -0.840 360 2HB SER 52 HB1 SER 52 5.274 1.548 -2.068 361 HG SER 52 HG SER 52 7.885 1.204 -2.327 362 H ASP 53 HN ASP 53 7.585 3.969 -3.747 363 HA ASP 53 HA ASP 53 5.373 4.730 -5.619 364 1HB ASP 53 HB2 ASP 53 6.702 6.637 -6.318 365 2HB ASP 53 HB1 ASP 53 6.581 6.678 -4.558 366 H SER 54 HN SER 54 7.079 2.255 -5.248 367 HA SER 54 HA SER 54 8.093 2.123 -8.056 368 1HB SER 54 HB2 SER 54 10.085 0.893 -7.100 369 2HB SER 54 HB1 SER 54 10.006 2.593 -6.647 370 HG SER 54 HG SER 54 8.767 0.657 -5.033 371 H ALA 55 HN ALA 55 7.383 0.266 -9.050 372 HA ALA 55 HA ALA 55 5.910 -1.729 -7.434 373 1HB ALA 55 HB1 ALA 55 6.362 -1.466 -10.425 374 2HB ALA 55 HB2 ALA 55 5.026 -0.725 -9.545 375 3HB ALA 55 HB3 ALA 55 5.152 -2.482 -9.642 376 H THR 56 HN THR 56 9.092 -1.358 -8.012 377 HA THR 56 HA THR 56 9.547 -4.308 -8.086 378 HB THR 56 HB THR 56 9.736 -3.429 -10.379 379 HG1 THR 56 HG1 THR 56 11.213 -5.033 -9.694 380 1HG2 THR 56 HG21 THR 56 10.436 -1.309 -10.646 381 2HG2 THR 56 HG22 THR 56 12.066 -1.850 -10.244 382 3HG2 THR 56 HG23 THR 56 11.002 -1.243 -8.977 383 H ASN 57 HN ASN 57 9.738 -2.980 -5.722 384 HA ASN 57 HA ASN 57 12.697 -2.727 -5.324 385 1HB ASN 57 HB2 ASN 57 12.367 -0.764 -4.033 386 2HB ASN 57 HB1 ASN 57 11.283 -0.557 -5.408 387 1HD2 ASN 57 HD21 ASN 57 11.376 -0.331 -2.066 388 2HD2 ASN 57 HD22 ASN 57 9.722 -0.522 -1.738 389 H ILE 58 HN ILE 58 13.419 -3.446 -3.211 390 HA ILE 58 HA ILE 58 11.405 -5.105 -1.747 391 HB ILE 58 HB ILE 58 13.772 -6.236 -1.142 392 1HG1 ILE 58 HG12 ILE 58 14.182 -5.277 -3.982 393 2HG1 ILE 58 HG11 ILE 58 14.974 -4.542 -2.589 394 1HG2 ILE 58 HG21 ILE 58 13.048 -7.984 -2.446 395 2HG2 ILE 58 HG22 ILE 58 12.722 -6.946 -3.834 396 3HG2 ILE 58 HG23 ILE 58 11.586 -6.999 -2.486 397 1HD1 ILE 58 HD11 ILE 58 15.715 -6.975 -2.022 398 2HD1 ILE 58 HD12 ILE 58 16.559 -6.118 -3.313 399 3HD1 ILE 58 HD13 ILE 58 15.325 -7.314 -3.708 400 H CYS 59 HN CYS 59 11.153 -4.610 0.397 401 HA CYS 59 HA CYS 59 13.111 -2.710 1.636 402 1HB CYS 59 HB2 CYS 59 10.700 -2.053 1.324 403 2HB CYS 59 HB1 CYS 59 10.252 -3.375 2.402 404 H GLY 60 HN GLY 60 14.526 -3.787 2.954 405 1HA GLY 60 HA2 GLY 60 14.352 -6.401 3.913 406 2HA GLY 60 HA1 GLY 60 15.252 -5.131 4.745 Start of MODEL 4 1 1H LYS 1 HT1 LYS 1 -4.185 10.364 -3.009 2 2H LYS 1 HT2 LYS 1 -4.191 11.607 -4.165 3 3H LYS 1 HT3 LYS 1 -3.102 11.661 -2.863 4 HA LYS 1 HA LYS 1 -2.719 10.501 -5.398 5 1HB LYS 1 HB2 LYS 1 -0.444 10.259 -4.410 6 2HB LYS 1 HB1 LYS 1 -1.140 11.846 -4.079 7 1HG LYS 1 HG2 LYS 1 -1.395 11.420 -1.834 8 2HG LYS 1 HG1 LYS 1 -1.683 9.697 -2.087 9 1HD LYS 1 HD2 LYS 1 0.837 9.708 -2.878 10 2HD LYS 1 HD1 LYS 1 0.919 11.174 -1.902 11 1HE LYS 1 HE2 LYS 1 -0.502 9.289 -0.338 12 2HE LYS 1 HE1 LYS 1 0.902 8.432 -1.004 13 1HZ LYS 1 HZ1 LYS 1 2.316 10.257 -0.323 14 2HZ LYS 1 HZ2 LYS 1 1.478 9.649 1.024 15 3HZ LYS 1 HZ3 LYS 1 0.984 11.103 0.297 16 H ASP 2 HN ASP 2 -1.429 8.358 -5.548 17 HA ASP 2 HA ASP 2 -2.813 6.262 -3.901 18 1HB ASP 2 HB2 ASP 2 -1.650 5.860 -6.656 19 2HB ASP 2 HB1 ASP 2 -2.935 4.951 -5.862 20 H GLY 3 HN GLY 3 -1.436 4.153 -3.905 21 1HA GLY 3 HA2 GLY 3 1.234 3.850 -4.405 22 2HA GLY 3 HA1 GLY 3 1.253 4.870 -2.968 23 H TYR 4 HN TYR 4 2.398 2.823 -2.173 24 HA TYR 4 HA TYR 4 0.427 0.743 -1.300 25 1HB TYR 4 HB2 TYR 4 3.452 0.613 -1.224 26 2HB TYR 4 HB1 TYR 4 2.309 -0.729 -1.215 27 HD1 TYR 4 HD1 TYR 4 1.484 -1.661 -3.239 28 HD2 TYR 4 HD2 TYR 4 3.657 2.045 -3.306 29 HE1 TYR 4 HE1 TYR 4 1.581 -1.762 -5.715 30 HE2 TYR 4 HE2 TYR 4 3.751 1.943 -5.781 31 HH TYR 4 HH TYR 4 2.646 0.926 -7.623 32 HA PRO 5 HA PRO 5 0.892 2.581 2.705 33 1HB PRO 5 HB2 PRO 5 -0.391 0.637 4.136 34 2HB PRO 5 HB1 PRO 5 -1.250 1.847 3.162 35 1HG PRO 5 HG2 PRO 5 -0.614 -0.990 2.520 36 2HG PRO 5 HG1 PRO 5 -2.075 -0.053 2.168 37 1HD PRO 5 HD2 PRO 5 -0.144 -0.573 0.316 38 2HD PRO 5 HD1 PRO 5 -1.185 0.867 0.266 39 H VAL 6 HN VAL 6 2.477 2.382 4.264 40 HA VAL 6 HA VAL 6 4.036 -0.182 4.308 41 HB VAL 6 HB VAL 6 5.885 1.403 5.071 42 1HG1 VAL 6 HG11 VAL 6 6.107 2.442 2.746 43 2HG1 VAL 6 HG12 VAL 6 4.545 1.711 2.377 44 3HG1 VAL 6 HG13 VAL 6 5.920 0.689 2.792 45 1HG2 VAL 6 HG21 VAL 6 4.466 3.703 3.903 46 2HG2 VAL 6 HG22 VAL 6 5.482 3.623 5.342 47 3HG2 VAL 6 HG23 VAL 6 3.785 3.153 5.434 48 H ASP 7 HN ASP 7 5.148 -0.537 6.481 49 HA ASP 7 HA ASP 7 3.160 -0.221 8.637 50 1HB ASP 7 HB2 ASP 7 4.885 -1.660 9.842 51 2HB ASP 7 HB1 ASP 7 4.216 -2.365 8.371 52 H SER 8 HN SER 8 4.387 0.203 10.908 53 HA SER 8 HA SER 8 5.006 2.941 11.070 54 1HB SER 8 HB2 SER 8 5.360 2.444 13.311 55 2HB SER 8 HB1 SER 8 4.497 0.994 12.805 56 HG SER 8 HG SER 8 6.628 0.817 13.984 57 H LYS 9 HN LYS 9 7.033 0.355 9.958 58 HA LYS 9 HA LYS 9 9.551 1.794 10.514 59 1HB LYS 9 HB2 LYS 9 9.144 -0.735 10.580 60 2HB LYS 9 HB1 LYS 9 9.092 -0.670 8.817 61 1HG LYS 9 HG2 LYS 9 11.356 0.602 9.027 62 2HG LYS 9 HG1 LYS 9 11.405 -0.078 10.653 63 1HD LYS 9 HD2 LYS 9 10.961 -2.350 9.553 64 2HD LYS 9 HD1 LYS 9 11.330 -1.558 8.020 65 1HE LYS 9 HE2 LYS 9 13.562 -0.990 8.766 66 2HE LYS 9 HE1 LYS 9 13.202 -1.549 10.413 67 1HZ LYS 9 HZ1 LYS 9 12.685 -3.388 8.197 68 2HZ LYS 9 HZ2 LYS 9 13.188 -3.721 9.785 69 3HZ LYS 9 HZ3 LYS 9 14.303 -3.142 8.641 70 H GLY 10 HN GLY 10 7.499 0.998 7.712 71 1HA GLY 10 HA2 GLY 10 7.440 2.904 6.013 72 2HA GLY 10 HA1 GLY 10 9.201 2.837 6.077 73 H CYS 11 HN CYS 11 8.036 -0.273 6.412 74 HA CYS 11 HA CYS 11 8.805 -0.929 3.635 75 1HB CYS 11 HB2 CYS 11 8.051 -2.550 6.087 76 2HB CYS 11 HB1 CYS 11 8.571 -3.264 4.562 77 H LYS 12 HN LYS 12 7.345 -1.532 2.052 78 HA LYS 12 HA LYS 12 4.614 -0.892 2.140 79 1HB LYS 12 HB2 LYS 12 6.204 -2.922 0.552 80 2HB LYS 12 HB1 LYS 12 4.525 -2.529 0.181 81 1HG LYS 12 HG2 LYS 12 5.083 -0.213 -0.220 82 2HG LYS 12 HG1 LYS 12 6.731 -0.462 0.357 83 1HD LYS 12 HD2 LYS 12 6.816 -0.485 -2.049 84 2HD LYS 12 HD1 LYS 12 7.027 -2.149 -1.506 85 1HE LYS 12 HE2 LYS 12 4.394 -2.253 -1.745 86 2HE LYS 12 HE1 LYS 12 4.656 -0.892 -2.854 87 1HZ LYS 12 HZ1 LYS 12 6.323 -2.177 -4.015 88 2HZ LYS 12 HZ2 LYS 12 4.856 -3.036 -3.996 89 3HZ LYS 12 HZ3 LYS 12 6.117 -3.478 -2.947 90 H LEU 13 HN LEU 13 2.737 -2.447 2.069 91 HA LEU 13 HA LEU 13 3.048 -4.512 4.193 92 1HB LEU 13 HB2 LEU 13 1.363 -2.652 4.343 93 2HB LEU 13 HB1 LEU 13 0.568 -3.321 2.917 94 HG LEU 13 HG LEU 13 0.248 -5.467 4.115 95 1HD1 LEU 13 HD11 LEU 13 1.625 -3.931 6.326 96 2HD1 LEU 13 HD12 LEU 13 2.073 -5.497 5.648 97 3HD1 LEU 13 HD13 LEU 13 0.627 -5.349 6.647 98 1HD2 LEU 13 HD21 LEU 13 -1.104 -4.159 6.132 99 2HD2 LEU 13 HD22 LEU 13 -1.721 -4.391 4.496 100 3HD2 LEU 13 HD23 LEU 13 -0.913 -2.884 4.928 101 H SER 14 HN SER 14 3.426 -6.548 3.411 102 HA SER 14 HA SER 14 2.900 -7.394 0.716 103 1HB SER 14 HB2 SER 14 3.101 -9.201 3.126 104 2HB SER 14 HB1 SER 14 3.734 -9.465 1.503 105 HG SER 14 HG SER 14 5.069 -7.537 1.974 106 H CYS 15 HN CYS 15 1.132 -8.585 -0.118 107 HA CYS 15 HA CYS 15 -1.110 -9.225 1.743 108 1HB CYS 15 HB2 CYS 15 -2.651 -8.017 0.211 109 2HB CYS 15 HB1 CYS 15 -1.439 -6.937 0.899 110 H VAL 16 HN VAL 16 -2.987 -10.055 -0.004 111 HA VAL 16 HA VAL 16 -1.825 -11.740 -2.123 112 HB VAL 16 HB VAL 16 -1.322 -13.107 -0.230 113 1HG1 VAL 16 HG11 VAL 16 -2.666 -11.866 1.413 114 2HG1 VAL 16 HG12 VAL 16 -3.009 -13.592 1.520 115 3HG1 VAL 16 HG13 VAL 16 -4.147 -12.516 0.708 116 1HG2 VAL 16 HG21 VAL 16 -2.618 -14.187 -2.153 117 2HG2 VAL 16 HG22 VAL 16 -4.044 -14.091 -1.120 118 3HG2 VAL 16 HG23 VAL 16 -2.657 -15.057 -0.619 119 H ALA 17 HN ALA 17 -4.640 -10.883 -0.130 120 HA ALA 17 HA ALA 17 -6.437 -11.580 -2.421 121 1HB ALA 17 HB1 ALA 17 -6.676 -12.570 -0.064 122 2HB ALA 17 HB2 ALA 17 -8.128 -11.834 -0.743 123 3HB ALA 17 HB3 ALA 17 -7.171 -10.958 0.451 124 H ASN 18 HN ASN 18 -8.063 -9.992 -3.027 125 HA ASN 18 HA ASN 18 -7.125 -7.234 -2.900 126 1HB ASN 18 HB2 ASN 18 -9.361 -8.802 -4.132 127 2HB ASN 18 HB1 ASN 18 -9.517 -7.046 -4.058 128 1HD2 ASN 18 HD21 ASN 18 -9.324 -7.989 -6.602 129 2HD2 ASN 18 HD22 ASN 18 -7.772 -7.745 -7.246 130 H ASN 19 HN ASN 19 -9.839 -9.064 -1.487 131 HA ASN 19 HA ASN 19 -11.326 -7.024 -0.288 132 1HB ASN 19 HB2 ASN 19 -12.024 -8.768 1.251 133 2HB ASN 19 HB1 ASN 19 -11.722 -9.522 -0.314 134 1HD2 ASN 19 HD21 ASN 19 -11.317 -10.275 2.788 135 2HD2 ASN 19 HD22 ASN 19 -9.812 -11.060 2.749 136 H TYR 20 HN TYR 20 -8.236 -8.411 0.750 137 HA TYR 20 HA TYR 20 -8.044 -7.285 3.349 138 1HB TYR 20 HB2 TYR 20 -6.566 -9.005 2.334 139 2HB TYR 20 HB1 TYR 20 -5.905 -7.783 1.249 140 HD1 TYR 20 HD1 TYR 20 -6.722 -6.339 4.398 141 HD2 TYR 20 HD2 TYR 20 -3.723 -8.687 2.408 142 HE1 TYR 20 HE1 TYR 20 -5.069 -5.698 6.130 143 HE2 TYR 20 HE2 TYR 20 -2.072 -8.045 4.141 144 HH TYR 20 HH TYR 20 -3.027 -6.177 6.989 145 H CYS 21 HN CYS 21 -6.712 -5.992 0.275 146 HA CYS 21 HA CYS 21 -5.909 -3.466 1.403 147 1HB CYS 21 HB2 CYS 21 -6.412 -4.563 -1.365 148 2HB CYS 21 HB1 CYS 21 -5.901 -2.893 -1.123 149 H ASP 22 HN ASP 22 -8.765 -4.435 -0.527 150 HA ASP 22 HA ASP 22 -10.089 -2.056 -0.935 151 1HB ASP 22 HB2 ASP 22 -10.878 -4.333 -1.530 152 2HB ASP 22 HB1 ASP 22 -11.260 -4.632 0.166 153 H ASN 23 HN ASN 23 -10.195 -3.933 2.120 154 HA ASN 23 HA ASN 23 -11.747 -1.910 3.522 155 1HB ASN 23 HB2 ASN 23 -11.641 -4.397 3.982 156 2HB ASN 23 HB1 ASN 23 -10.016 -4.147 4.621 157 1HD2 ASN 23 HD21 ASN 23 -13.272 -4.249 5.527 158 2HD2 ASN 23 HD22 ASN 23 -13.153 -3.409 6.996 159 H GLN 24 HN GLN 24 -8.379 -3.050 4.036 160 HA GLN 24 HA GLN 24 -7.491 -1.084 5.802 161 1HB GLN 24 HB2 GLN 24 -6.337 -3.153 4.786 162 2HB GLN 24 HB1 GLN 24 -5.869 -2.094 3.456 163 1HG GLN 24 HG2 GLN 24 -4.120 -2.251 5.239 164 2HG GLN 24 HG1 GLN 24 -4.707 -0.605 4.993 165 1HE2 GLN 24 HE21 GLN 24 -6.114 -3.371 6.843 166 2HE2 GLN 24 HE22 GLN 24 -6.236 -2.517 8.305 167 H CYS 25 HN CYS 25 -7.126 -0.913 2.229 168 HA CYS 25 HA CYS 25 -6.151 1.713 2.018 169 1HB CYS 25 HB2 CYS 25 -8.098 0.169 0.270 170 2HB CYS 25 HB1 CYS 25 -7.232 1.614 -0.248 171 H LYS 26 HN LYS 26 -9.581 0.681 1.882 172 HA LYS 26 HA LYS 26 -10.830 3.179 1.688 173 1HB LYS 26 HB2 LYS 26 -11.786 0.809 1.694 174 2HB LYS 26 HB1 LYS 26 -11.735 0.889 3.455 175 1HG LYS 26 HG2 LYS 26 -13.960 1.537 2.617 176 2HG LYS 26 HG1 LYS 26 -13.167 2.901 3.406 177 1HD LYS 26 HD2 LYS 26 -12.381 2.900 0.660 178 2HD LYS 26 HD1 LYS 26 -14.136 2.740 0.722 179 1HE LYS 26 HE2 LYS 26 -14.107 4.678 2.411 180 2HE LYS 26 HE1 LYS 26 -12.427 4.942 1.904 181 1HZ LYS 26 HZ1 LYS 26 -13.062 5.677 -0.098 182 2HZ LYS 26 HZ2 LYS 26 -14.598 5.891 0.596 183 3HZ LYS 26 HZ3 LYS 26 -14.249 4.478 -0.280 184 H MET 27 HN MET 27 -9.846 1.477 4.683 185 HA MET 27 HA MET 27 -10.741 3.360 6.582 186 1HB MET 27 HB2 MET 27 -8.331 1.524 6.465 187 2HB MET 27 HB1 MET 27 -8.824 2.370 7.932 188 1HG MET 27 HG2 MET 27 -11.163 1.166 6.883 189 2HG MET 27 HG1 MET 27 -9.895 -0.058 6.814 190 1HE MET 27 HE1 MET 27 -7.986 0.413 8.695 191 2HE MET 27 HE2 MET 27 -8.718 -1.144 9.073 192 3HE MET 27 HE3 MET 27 -8.419 0.017 10.364 193 H LYS 28 HN LYS 28 -7.774 3.357 4.621 194 HA LYS 28 HA LYS 28 -6.730 5.769 5.952 195 1HB LYS 28 HB2 LYS 28 -5.898 3.910 3.729 196 2HB LYS 28 HB1 LYS 28 -5.042 5.432 3.979 197 1HG LYS 28 HG2 LYS 28 -5.401 4.177 6.528 198 2HG LYS 28 HG1 LYS 28 -4.721 2.989 5.415 199 1HD LYS 28 HD2 LYS 28 -2.767 4.174 5.123 200 2HD LYS 28 HD1 LYS 28 -3.555 5.734 5.359 201 1HE LYS 28 HE2 LYS 28 -3.331 5.652 7.658 202 2HE LYS 28 HE1 LYS 28 -3.454 3.882 7.708 203 1HZ LYS 28 HZ1 LYS 28 -1.151 5.495 6.753 204 2HZ LYS 28 HZ2 LYS 28 -1.285 3.817 6.521 205 3HZ LYS 28 HZ3 LYS 28 -1.185 4.455 8.092 206 H LYS 29 HN LYS 29 -9.317 5.568 4.155 207 HA LYS 29 HA LYS 29 -10.475 7.193 2.883 208 1HB LYS 29 HB2 LYS 29 -8.799 8.647 4.283 209 2HB LYS 29 HB1 LYS 29 -7.933 8.794 2.752 210 1HG LYS 29 HG2 LYS 29 -9.704 9.911 1.703 211 2HG LYS 29 HG1 LYS 29 -10.895 9.301 2.851 212 1HD LYS 29 HD2 LYS 29 -9.662 10.666 4.632 213 2HD LYS 29 HD1 LYS 29 -8.818 11.451 3.296 214 1HE LYS 29 HE2 LYS 29 -11.840 11.285 3.354 215 2HE LYS 29 HE1 LYS 29 -10.965 12.615 4.138 216 1HZ LYS 29 HZ1 LYS 29 -10.719 13.534 2.144 217 2HZ LYS 29 HZ2 LYS 29 -11.432 12.199 1.375 218 3HZ LYS 29 HZ3 LYS 29 -9.759 12.218 1.671 219 H ALA 30 HN ALA 30 -9.210 4.974 1.597 220 HA ALA 30 HA ALA 30 -8.178 6.193 -0.939 221 1HB ALA 30 HB1 ALA 30 -7.005 4.147 -1.244 222 2HB ALA 30 HB2 ALA 30 -8.037 3.294 -0.096 223 3HB ALA 30 HB3 ALA 30 -6.862 4.476 0.483 224 H SER 31 HN SER 31 -8.860 4.806 -2.927 225 HA SER 31 HA SER 31 -11.738 4.006 -2.620 226 1HB SER 31 HB2 SER 31 -11.299 6.160 -3.806 227 2HB SER 31 HB1 SER 31 -10.314 5.286 -4.977 228 HG SER 31 HG SER 31 -12.160 5.024 -5.956 229 H GLY 32 HN GLY 32 -8.713 3.441 -4.429 230 1HA GLY 32 HA2 GLY 32 -9.835 0.827 -5.335 231 2HA GLY 32 HA1 GLY 32 -8.475 1.654 -6.098 232 H GLY 33 HN GLY 33 -9.460 -0.194 -3.253 233 1HA GLY 33 HA2 GLY 33 -6.590 -0.493 -2.503 234 2HA GLY 33 HA1 GLY 33 -7.952 -0.842 -1.440 235 H HIS 34 HN HIS 34 -5.641 -2.270 -3.360 236 HA HIS 34 HA HIS 34 -7.014 -4.880 -3.191 237 1HB HIS 34 HB2 HIS 34 -6.728 -5.252 -5.635 238 2HB HIS 34 HB1 HIS 34 -7.796 -3.890 -5.299 239 HD1 HIS 34 HD1 HIS 34 -7.159 -1.681 -6.301 240 HD2 HIS 34 HD2 HIS 34 -3.972 -4.367 -6.308 241 HE1 HIS 34 HE1 HIS 34 -5.291 -0.572 -7.603 242 H CYS 35 HN CYS 35 -5.452 -6.651 -3.957 243 HA CYS 35 HA CYS 35 -2.736 -6.002 -2.960 244 1HB CYS 35 HB2 CYS 35 -4.117 -7.931 -2.142 245 2HB CYS 35 HB1 CYS 35 -4.018 -8.634 -3.756 246 H TYR 36 HN TYR 36 -1.121 -5.570 -4.400 247 HA TYR 36 HA TYR 36 -1.168 -6.930 -7.064 248 1HB TYR 36 HB2 TYR 36 -1.887 -4.300 -6.622 249 2HB TYR 36 HB1 TYR 36 -0.180 -4.156 -7.040 250 HD1 TYR 36 HD1 TYR 36 0.659 -4.964 -9.221 251 HD2 TYR 36 HD2 TYR 36 -3.520 -5.073 -8.235 252 HE1 TYR 36 HE1 TYR 36 0.104 -5.315 -11.612 253 HE2 TYR 36 HE2 TYR 36 -4.075 -5.424 -10.627 254 HH TYR 36 HH TYR 36 -3.100 -6.160 -12.649 255 H ALA 37 HN ALA 37 0.890 -7.542 -7.771 256 HA ALA 37 HA ALA 37 3.181 -8.080 -7.549 257 1HB ALA 37 HB1 ALA 37 2.816 -5.178 -6.915 258 2HB ALA 37 HB2 ALA 37 3.682 -5.929 -8.254 259 3HB ALA 37 HB3 ALA 37 4.409 -5.885 -6.649 260 H MET 38 HN MET 38 1.529 -8.884 -5.320 261 HA MET 38 HA MET 38 1.818 -9.714 -3.128 262 1HB MET 38 HB2 MET 38 4.696 -8.864 -3.560 263 2HB MET 38 HB1 MET 38 4.108 -10.156 -2.514 264 1HG MET 38 HG2 MET 38 3.200 -10.494 -5.266 265 2HG MET 38 HG1 MET 38 4.958 -10.443 -5.154 266 1HE MET 38 HE1 MET 38 5.548 -12.666 -2.124 267 2HE MET 38 HE2 MET 38 5.946 -11.197 -3.010 268 3HE MET 38 HE3 MET 38 6.387 -12.767 -3.677 269 H SER 39 HN SER 39 1.739 -6.601 -3.873 270 HA SER 39 HA SER 39 2.253 -5.711 -1.055 271 1HB SER 39 HB2 SER 39 3.030 -4.504 -3.710 272 2HB SER 39 HB1 SER 39 2.911 -3.507 -2.262 273 HG SER 39 HG SER 39 4.934 -4.977 -3.004 274 H CYS 40 HN CYS 40 0.757 -4.119 -0.279 275 HA CYS 40 HA CYS 40 -1.867 -4.156 -1.578 276 1HB CYS 40 HB2 CYS 40 -1.292 -4.215 0.920 277 2HB CYS 40 HB1 CYS 40 -0.940 -2.493 0.775 278 H TYR 41 HN TYR 41 -2.758 -2.519 -2.813 279 HA TYR 41 HA TYR 41 -1.236 0.059 -3.022 280 1HB TYR 41 HB2 TYR 41 -0.934 -1.627 -4.916 281 2HB TYR 41 HB1 TYR 41 -2.646 -1.397 -5.277 282 HD1 TYR 41 HD1 TYR 41 -3.211 0.230 -6.850 283 HD2 TYR 41 HD2 TYR 41 0.414 0.670 -4.586 284 HE1 TYR 41 HE1 TYR 41 -2.664 2.288 -8.122 285 HE2 TYR 41 HE2 TYR 41 0.960 2.725 -5.861 286 HH TYR 41 HH TYR 41 -0.141 4.420 -7.166 287 H CYS 42 HN CYS 42 -2.570 1.706 -2.385 288 HA CYS 42 HA CYS 42 -5.525 1.354 -2.757 289 1HB CYS 42 HB2 CYS 42 -4.113 3.260 -0.878 290 2HB CYS 42 HB1 CYS 42 -5.772 2.674 -0.783 291 H GLU 43 HN GLU 43 -6.654 2.995 -3.840 292 HA GLU 43 HA GLU 43 -4.971 5.157 -5.061 293 1HB GLU 43 HB2 GLU 43 -6.059 3.330 -6.475 294 2HB GLU 43 HB1 GLU 43 -7.613 4.034 -6.026 295 1HG GLU 43 HG2 GLU 43 -6.782 6.243 -6.910 296 2HG GLU 43 HG1 GLU 43 -5.357 5.399 -7.517 297 H GLY 44 HN GLY 44 -5.340 7.066 -3.985 298 1HA GLY 44 HA2 GLY 44 -7.204 8.839 -3.909 299 2HA GLY 44 HA1 GLY 44 -8.116 7.617 -3.022 300 H LEU 45 HN LEU 45 -5.020 7.110 -2.097 301 HA LEU 45 HA LEU 45 -5.296 7.960 0.572 302 1HB LEU 45 HB2 LEU 45 -2.970 7.448 -1.283 303 2HB LEU 45 HB1 LEU 45 -2.691 7.910 0.396 304 HG LEU 45 HG LEU 45 -4.478 5.602 -0.406 305 1HD1 LEU 45 HD11 LEU 45 -2.660 4.114 -0.072 306 2HD1 LEU 45 HD12 LEU 45 -1.659 5.371 0.655 307 3HD1 LEU 45 HD13 LEU 45 -1.997 5.404 -1.076 308 1HD2 LEU 45 HD21 LEU 45 -4.766 6.698 1.854 309 2HD2 LEU 45 HD22 LEU 45 -3.100 6.248 2.218 310 3HD2 LEU 45 HD23 LEU 45 -4.309 4.996 1.933 311 HA PRO 46 HA PRO 46 -4.647 12.312 0.439 312 1HB PRO 46 HB2 PRO 46 -3.403 12.725 2.839 313 2HB PRO 46 HB1 PRO 46 -5.128 12.334 2.704 314 1HG PRO 46 HG2 PRO 46 -2.840 10.574 3.412 315 2HG PRO 46 HG1 PRO 46 -4.488 10.597 4.057 316 1HD PRO 46 HD2 PRO 46 -3.597 8.778 2.216 317 2HD PRO 46 HD1 PRO 46 -5.298 9.267 2.384 318 H GLU 47 HN GLU 47 -2.923 13.913 0.179 319 HA GLU 47 HA GLU 47 -0.575 12.996 -1.130 320 1HB GLU 47 HB2 GLU 47 -1.610 15.216 -1.385 321 2HB GLU 47 HB1 GLU 47 -1.201 15.608 0.285 322 1HG GLU 47 HG2 GLU 47 0.653 16.530 -0.673 323 2HG GLU 47 HG1 GLU 47 1.238 14.866 -0.634 324 H ASN 48 HN ASN 48 -1.316 13.190 2.224 325 HA ASN 48 HA ASN 48 1.589 13.008 2.946 326 1HB ASN 48 HB2 ASN 48 0.706 13.717 5.205 327 2HB ASN 48 HB1 ASN 48 0.429 14.902 3.928 328 1HD2 ASN 48 HD21 ASN 48 -1.207 12.225 5.682 329 2HD2 ASN 48 HD22 ASN 48 -2.774 12.839 5.466 330 H ALA 49 HN ALA 49 -0.392 10.817 2.041 331 HA ALA 49 HA ALA 49 -0.991 9.191 4.353 332 1HB ALA 49 HB1 ALA 49 -0.555 7.887 1.736 333 2HB ALA 49 HB2 ALA 49 -1.663 9.259 1.700 334 3HB ALA 49 HB3 ALA 49 -1.988 7.890 2.764 335 H LYS 50 HN LYS 50 0.084 7.165 4.916 336 HA LYS 50 HA LYS 50 3.026 7.355 4.715 337 1HB LYS 50 HB2 LYS 50 1.707 6.882 6.820 338 2HB LYS 50 HB1 LYS 50 1.252 5.330 6.115 339 1HG LYS 50 HG2 LYS 50 3.219 4.430 6.728 340 2HG LYS 50 HG1 LYS 50 4.097 5.693 5.863 341 1HD LYS 50 HD2 LYS 50 4.106 7.133 7.758 342 2HD LYS 50 HD1 LYS 50 2.891 6.165 8.593 343 1HE LYS 50 HE2 LYS 50 4.642 5.140 9.629 344 2HE LYS 50 HE1 LYS 50 4.950 4.345 8.071 345 1HZ LYS 50 HZ1 LYS 50 6.006 6.986 8.938 346 2HZ LYS 50 HZ2 LYS 50 6.228 6.309 7.395 347 3HZ LYS 50 HZ3 LYS 50 6.907 5.560 8.760 348 H VAL 51 HN VAL 51 3.229 6.791 2.408 349 HA VAL 51 HA VAL 51 2.956 3.846 1.958 350 HB VAL 51 HB VAL 51 2.177 4.478 -0.369 351 1HG1 VAL 51 HG11 VAL 51 0.113 5.772 1.198 352 2HG1 VAL 51 HG12 VAL 51 0.770 4.385 2.067 353 3HG1 VAL 51 HG13 VAL 51 0.101 4.176 0.449 354 1HG2 VAL 51 HG21 VAL 51 1.205 7.093 0.345 355 2HG2 VAL 51 HG22 VAL 51 2.246 6.640 -1.005 356 3HG2 VAL 51 HG23 VAL 51 2.956 7.051 0.557 357 H SER 52 HN SER 52 4.261 3.214 -0.068 358 HA SER 52 HA SER 52 6.930 4.464 0.111 359 1HB SER 52 HB2 SER 52 6.719 2.041 0.130 360 2HB SER 52 HB1 SER 52 5.768 2.072 -1.353 361 HG SER 52 HG SER 52 8.512 2.504 -0.950 362 H ASP 53 HN ASP 53 7.974 5.447 -1.701 363 HA ASP 53 HA ASP 53 6.102 6.389 -3.834 364 1HB ASP 53 HB2 ASP 53 7.717 8.222 -4.042 365 2HB ASP 53 HB1 ASP 53 7.283 8.015 -2.344 366 H SER 54 HN SER 54 8.127 3.880 -3.480 367 HA SER 54 HA SER 54 8.851 3.873 -6.363 368 1HB SER 54 HB2 SER 54 11.188 3.471 -5.861 369 2HB SER 54 HB1 SER 54 10.693 4.915 -4.983 370 HG SER 54 HG SER 54 11.413 3.854 -3.316 371 H ALA 55 HN ALA 55 8.182 1.910 -7.111 372 HA ALA 55 HA ALA 55 7.317 -0.255 -5.473 373 1HB ALA 55 HB1 ALA 55 7.469 -1.479 -7.706 374 2HB ALA 55 HB2 ALA 55 8.197 -0.013 -8.362 375 3HB ALA 55 HB3 ALA 55 6.549 0.025 -7.736 376 H THR 56 HN THR 56 10.489 0.759 -6.288 377 HA THR 56 HA THR 56 11.644 -1.957 -5.874 378 HB THR 56 HB THR 56 13.590 0.113 -6.269 379 HG1 THR 56 HG1 THR 56 12.694 1.365 -7.686 380 1HG2 THR 56 HG21 THR 56 14.216 -1.875 -7.211 381 2HG2 THR 56 HG22 THR 56 13.463 -1.167 -8.640 382 3HG2 THR 56 HG23 THR 56 12.563 -2.311 -7.644 383 H ASN 57 HN ASN 57 10.546 -1.225 -3.532 384 HA ASN 57 HA ASN 57 12.546 0.258 -1.912 385 1HB ASN 57 HB2 ASN 57 10.782 0.214 -0.233 386 2HB ASN 57 HB1 ASN 57 10.064 0.651 -1.783 387 1HD2 ASN 57 HD21 ASN 57 9.453 -1.246 0.846 388 2HD2 ASN 57 HD22 ASN 57 8.566 -2.492 0.109 389 H ILE 58 HN ILE 58 14.113 -0.866 -0.828 390 HA ILE 58 HA ILE 58 13.578 -3.743 -0.161 391 HB ILE 58 HB ILE 58 16.052 -2.298 -1.147 392 1HG1 ILE 58 HG12 ILE 58 15.487 -4.734 -2.505 393 2HG1 ILE 58 HG11 ILE 58 13.964 -3.853 -2.368 394 1HG2 ILE 58 HG21 ILE 58 17.372 -3.871 -0.222 395 2HG2 ILE 58 HG22 ILE 58 16.348 -5.164 -0.845 396 3HG2 ILE 58 HG23 ILE 58 15.975 -4.415 0.707 397 1HD1 ILE 58 HD11 ILE 58 16.411 -2.334 -3.184 398 2HD1 ILE 58 HD12 ILE 58 14.725 -2.064 -3.627 399 3HD1 ILE 58 HD13 ILE 58 15.634 -3.375 -4.377 400 H CYS 59 HN CYS 59 12.905 -3.154 2.012 401 HA CYS 59 HA CYS 59 15.042 -1.918 3.711 402 1HB CYS 59 HB2 CYS 59 13.120 -1.423 5.220 403 2HB CYS 59 HB1 CYS 59 12.889 -0.742 3.610 404 H GLY 60 HN GLY 60 16.198 -3.944 4.021 405 1HA GLY 60 HA2 GLY 60 15.799 -5.391 6.298 406 2HA GLY 60 HA1 GLY 60 14.764 -6.243 5.151 Start of MODEL 5 1 1H LYS 1 HT1 LYS 1 -4.618 9.776 -4.458 2 2H LYS 1 HT2 LYS 1 -4.580 10.833 -5.787 3 3H LYS 1 HT3 LYS 1 -3.584 11.120 -4.442 4 HA LYS 1 HA LYS 1 -3.005 9.601 -6.742 5 1HB LYS 1 HB2 LYS 1 -0.795 9.725 -5.736 6 2HB LYS 1 HB1 LYS 1 -1.630 11.242 -5.404 7 1HG LYS 1 HG2 LYS 1 -2.138 10.578 -3.159 8 2HG LYS 1 HG1 LYS 1 -1.642 8.913 -3.472 9 1HD LYS 1 HD2 LYS 1 0.613 10.350 -4.169 10 2HD LYS 1 HD1 LYS 1 -0.003 11.250 -2.783 11 1HE LYS 1 HE2 LYS 1 -0.288 8.738 -1.820 12 2HE LYS 1 HE1 LYS 1 1.101 8.488 -2.896 13 1HZ LYS 1 HZ1 LYS 1 2.388 9.930 -1.741 14 2HZ LYS 1 HZ2 LYS 1 1.369 9.479 -0.456 15 3HZ LYS 1 HZ3 LYS 1 1.089 10.928 -1.299 16 H ASP 2 HN ASP 2 -1.981 7.450 -6.734 17 HA ASP 2 HA ASP 2 -3.150 5.643 -4.642 18 1HB ASP 2 HB2 ASP 2 -2.323 4.853 -7.438 19 2HB ASP 2 HB1 ASP 2 -3.497 4.071 -6.380 20 H GLY 3 HN GLY 3 -1.765 3.934 -3.872 21 1HA GLY 3 HA2 GLY 3 0.865 3.435 -4.888 22 2HA GLY 3 HA1 GLY 3 0.975 4.569 -3.545 23 H TYR 4 HN TYR 4 2.229 2.625 -2.680 24 HA TYR 4 HA TYR 4 0.418 0.548 -1.514 25 1HB TYR 4 HB2 TYR 4 3.448 0.668 -1.707 26 2HB TYR 4 HB1 TYR 4 2.479 -0.740 -1.279 27 HD1 TYR 4 HD1 TYR 4 1.552 -2.145 -2.944 28 HD2 TYR 4 HD2 TYR 4 3.193 1.672 -4.035 29 HE1 TYR 4 HE1 TYR 4 1.351 -2.745 -5.341 30 HE2 TYR 4 HE2 TYR 4 2.988 1.073 -6.434 31 HH TYR 4 HH TYR 4 1.111 -1.308 -7.580 32 HA PRO 5 HA PRO 5 0.952 2.681 2.326 33 1HB PRO 5 HB2 PRO 5 -0.068 0.756 3.968 34 2HB PRO 5 HB1 PRO 5 -1.086 1.790 2.946 35 1HG PRO 5 HG2 PRO 5 -0.231 -1.026 2.526 36 2HG PRO 5 HG1 PRO 5 -1.769 -0.242 2.137 37 1HD PRO 5 HD2 PRO 5 0.194 -0.785 0.296 38 2HD PRO 5 HD1 PRO 5 -1.022 0.498 0.110 39 H VAL 6 HN VAL 6 2.627 2.763 3.792 40 HA VAL 6 HA VAL 6 4.322 0.300 4.107 41 HB VAL 6 HB VAL 6 6.187 2.042 4.348 42 1HG1 VAL 6 HG11 VAL 6 6.285 0.904 2.329 43 2HG1 VAL 6 HG12 VAL 6 6.001 2.546 1.752 44 3HG1 VAL 6 HG13 VAL 6 4.662 1.402 1.849 45 1HG2 VAL 6 HG21 VAL 6 5.785 4.267 3.639 46 2HG2 VAL 6 HG22 VAL 6 4.415 3.896 4.687 47 3HG2 VAL 6 HG23 VAL 6 4.223 3.850 2.934 48 H ASP 7 HN ASP 7 5.653 0.390 6.156 49 HA ASP 7 HA ASP 7 3.965 1.454 8.384 50 1HB ASP 7 HB2 ASP 7 5.253 -0.259 9.691 51 2HB ASP 7 HB1 ASP 7 4.369 -0.952 8.331 52 H SER 8 HN SER 8 5.501 1.882 10.427 53 HA SER 8 HA SER 8 6.971 4.246 9.984 54 1HB SER 8 HB2 SER 8 7.481 4.046 12.271 55 2HB SER 8 HB1 SER 8 6.041 3.043 12.121 56 HG SER 8 HG SER 8 7.541 1.822 13.177 57 H LYS 9 HN LYS 9 7.888 0.964 9.399 58 HA LYS 9 HA LYS 9 10.777 1.379 9.567 59 1HB LYS 9 HB2 LYS 9 9.362 -0.769 9.859 60 2HB LYS 9 HB1 LYS 9 9.299 -0.808 8.096 61 1HG LYS 9 HG2 LYS 9 11.598 -1.162 7.888 62 2HG LYS 9 HG1 LYS 9 11.947 -0.477 9.476 63 1HD LYS 9 HD2 LYS 9 12.142 -3.005 9.336 64 2HD LYS 9 HD1 LYS 9 11.062 -2.409 10.597 65 1HE LYS 9 HE2 LYS 9 9.111 -2.946 9.329 66 2HE LYS 9 HE1 LYS 9 10.053 -3.175 7.842 67 1HZ LYS 9 HZ1 LYS 9 11.177 -5.030 8.815 68 2HZ LYS 9 HZ2 LYS 9 9.507 -5.287 8.997 69 3HZ LYS 9 HZ3 LYS 9 10.438 -4.768 10.319 70 H GLY 10 HN GLY 10 8.305 1.452 7.011 71 1HA GLY 10 HA2 GLY 10 8.696 2.915 5.065 72 2HA GLY 10 HA1 GLY 10 10.410 2.507 5.170 73 H CYS 11 HN CYS 11 8.120 -0.031 5.674 74 HA CYS 11 HA CYS 11 8.852 -1.163 2.998 75 1HB CYS 11 HB2 CYS 11 8.068 -2.444 5.637 76 2HB CYS 11 HB1 CYS 11 8.451 -3.336 4.164 77 H LYS 12 HN LYS 12 7.182 -1.761 1.626 78 HA LYS 12 HA LYS 12 4.561 -0.723 1.901 79 1HB LYS 12 HB2 LYS 12 5.517 -3.150 0.346 80 2HB LYS 12 HB1 LYS 12 4.106 -2.161 -0.033 81 1HG LYS 12 HG2 LYS 12 5.840 -0.189 -0.066 82 2HG LYS 12 HG1 LYS 12 7.020 -1.478 -0.301 83 1HD LYS 12 HD2 LYS 12 4.568 -1.003 -2.023 84 2HD LYS 12 HD1 LYS 12 6.227 -0.602 -2.469 85 1HE LYS 12 HE2 LYS 12 5.703 -3.413 -1.597 86 2HE LYS 12 HE1 LYS 12 5.126 -2.930 -3.205 87 1HZ LYS 12 HZ1 LYS 12 7.316 -3.496 -3.617 88 2HZ LYS 12 HZ2 LYS 12 7.874 -2.881 -2.134 89 3HZ LYS 12 HZ3 LYS 12 7.427 -1.821 -3.385 90 H LEU 13 HN LEU 13 2.550 -2.251 1.881 91 HA LEU 13 HA LEU 13 2.779 -4.067 4.242 92 1HB LEU 13 HB2 LEU 13 1.224 -2.136 4.286 93 2HB LEU 13 HB1 LEU 13 0.401 -2.778 2.864 94 HG LEU 13 HG LEU 13 -0.121 -4.852 4.141 95 1HD1 LEU 13 HD11 LEU 13 0.172 -4.709 6.647 96 2HD1 LEU 13 HD12 LEU 13 1.183 -3.288 6.387 97 3HD1 LEU 13 HD13 LEU 13 1.684 -4.854 5.750 98 1HD2 LEU 13 HD21 LEU 13 -1.932 -3.903 5.367 99 2HD2 LEU 13 HD22 LEU 13 -1.615 -2.762 4.061 100 3HD2 LEU 13 HD23 LEU 13 -1.035 -2.421 5.691 101 H SER 14 HN SER 14 3.438 -6.044 3.246 102 HA SER 14 HA SER 14 2.492 -7.133 0.813 103 1HB SER 14 HB2 SER 14 3.215 -8.563 3.392 104 2HB SER 14 HB1 SER 14 3.273 -9.253 1.773 105 HG SER 14 HG SER 14 4.673 -7.177 1.479 106 H CYS 15 HN CYS 15 0.660 -8.406 0.305 107 HA CYS 15 HA CYS 15 -1.296 -8.948 2.494 108 1HB CYS 15 HB2 CYS 15 -3.055 -7.965 0.948 109 2HB CYS 15 HB1 CYS 15 -1.915 -6.791 1.605 110 H VAL 16 HN VAL 16 -2.899 -10.561 1.877 111 HA VAL 16 HA VAL 16 -2.193 -12.138 -0.573 112 HB VAL 16 HB VAL 16 -1.334 -12.981 1.703 113 1HG1 VAL 16 HG11 VAL 16 -2.790 -13.402 3.376 114 2HG1 VAL 16 HG12 VAL 16 -3.895 -14.251 2.294 115 3HG1 VAL 16 HG13 VAL 16 -3.978 -12.494 2.439 116 1HG2 VAL 16 HG21 VAL 16 -2.993 -14.517 -0.264 117 2HG2 VAL 16 HG22 VAL 16 -2.416 -15.348 1.180 118 3HG2 VAL 16 HG23 VAL 16 -1.263 -14.621 0.061 119 H ALA 17 HN ALA 17 -4.450 -10.211 0.590 120 HA ALA 17 HA ALA 17 -6.674 -11.694 -0.696 121 1HB ALA 17 HB1 ALA 17 -6.247 -11.344 2.174 122 2HB ALA 17 HB2 ALA 17 -7.407 -12.379 1.339 123 3HB ALA 17 HB3 ALA 17 -7.800 -10.689 1.654 124 H ASN 18 HN ASN 18 -8.067 -10.250 -1.722 125 HA ASN 18 HA ASN 18 -7.326 -7.458 -1.908 126 1HB ASN 18 HB2 ASN 18 -9.435 -9.305 -2.945 127 2HB ASN 18 HB1 ASN 18 -9.738 -7.571 -3.071 128 1HD2 ASN 18 HD21 ASN 18 -9.021 -9.626 -5.223 129 2HD2 ASN 18 HD22 ASN 18 -7.664 -8.967 -6.000 130 H ASN 19 HN ASN 19 -9.891 -9.224 -0.187 131 HA ASN 19 HA ASN 19 -11.482 -7.056 0.675 132 1HB ASN 19 HB2 ASN 19 -11.883 -8.654 2.655 133 2HB ASN 19 HB1 ASN 19 -12.180 -9.310 1.047 134 1HD2 ASN 19 HD21 ASN 19 -10.614 -9.979 3.934 135 2HD2 ASN 19 HD22 ASN 19 -9.470 -11.097 3.366 136 H TYR 20 HN TYR 20 -8.453 -8.342 2.040 137 HA TYR 20 HA TYR 20 -8.394 -6.764 4.421 138 1HB TYR 20 HB2 TYR 20 -6.950 -8.685 4.050 139 2HB TYR 20 HB1 TYR 20 -6.223 -7.914 2.640 140 HD1 TYR 20 HD1 TYR 20 -7.059 -6.645 6.067 141 HD2 TYR 20 HD2 TYR 20 -4.010 -7.345 3.125 142 HE1 TYR 20 HE1 TYR 20 -5.395 -5.528 7.527 143 HE2 TYR 20 HE2 TYR 20 -2.345 -6.228 4.585 144 HH TYR 20 HH TYR 20 -3.153 -4.296 7.146 145 H CYS 21 HN CYS 21 -7.124 -6.130 1.139 146 HA CYS 21 HA CYS 21 -5.985 -3.550 1.830 147 1HB CYS 21 HB2 CYS 21 -6.616 -5.125 -0.653 148 2HB CYS 21 HB1 CYS 21 -6.133 -3.435 -0.803 149 H ASP 22 HN ASP 22 -9.059 -4.626 0.384 150 HA ASP 22 HA ASP 22 -10.146 -2.141 -0.386 151 1HB ASP 22 HB2 ASP 22 -11.126 -4.358 -0.838 152 2HB ASP 22 HB1 ASP 22 -11.472 -4.564 0.880 153 H ASN 23 HN ASN 23 -10.520 -3.799 2.772 154 HA ASN 23 HA ASN 23 -11.853 -1.571 4.044 155 1HB ASN 23 HB2 ASN 23 -11.882 -4.046 4.651 156 2HB ASN 23 HB1 ASN 23 -10.263 -3.818 5.315 157 1HD2 ASN 23 HD21 ASN 23 -10.838 -4.074 7.553 158 2HD2 ASN 23 HD22 ASN 23 -11.855 -2.985 8.366 159 H GLN 24 HN GLN 24 -8.471 -2.734 4.031 160 HA GLN 24 HA GLN 24 -7.393 -0.875 5.895 161 1HB GLN 24 HB2 GLN 24 -6.154 -2.797 5.123 162 2HB GLN 24 HB1 GLN 24 -6.283 -2.272 3.444 163 1HG GLN 24 HG2 GLN 24 -4.052 -1.748 4.317 164 2HG GLN 24 HG1 GLN 24 -4.938 -0.259 3.988 165 1HE2 GLN 24 HE21 GLN 24 -4.053 1.104 5.611 166 2HE2 GLN 24 HE22 GLN 24 -4.162 0.773 7.272 167 H CYS 25 HN CYS 25 -7.068 -0.678 2.331 168 HA CYS 25 HA CYS 25 -6.156 1.923 2.058 169 1HB CYS 25 HB2 CYS 25 -8.188 0.338 0.462 170 2HB CYS 25 HB1 CYS 25 -7.474 1.843 -0.120 171 H LYS 26 HN LYS 26 -9.614 0.967 2.208 172 HA LYS 26 HA LYS 26 -10.841 3.465 2.081 173 1HB LYS 26 HB2 LYS 26 -11.903 1.196 2.287 174 2HB LYS 26 HB1 LYS 26 -11.498 1.208 4.003 175 1HG LYS 26 HG2 LYS 26 -13.819 1.957 3.659 176 2HG LYS 26 HG1 LYS 26 -12.831 3.271 4.299 177 1HD LYS 26 HD2 LYS 26 -12.755 3.188 1.386 178 2HD LYS 26 HD1 LYS 26 -14.402 3.368 1.992 179 1HE LYS 26 HE2 LYS 26 -13.684 5.285 3.388 180 2HE LYS 26 HE1 LYS 26 -12.033 5.115 2.760 181 1HZ LYS 26 HZ1 LYS 26 -13.835 6.641 1.573 182 2HZ LYS 26 HZ2 LYS 26 -14.198 5.170 0.806 183 3HZ LYS 26 HZ3 LYS 26 -12.632 5.820 0.705 184 H MET 27 HN MET 27 -9.767 1.850 5.100 185 HA MET 27 HA MET 27 -10.227 3.990 6.885 186 1HB MET 27 HB2 MET 27 -8.088 1.835 6.805 187 2HB MET 27 HB1 MET 27 -8.455 2.809 8.229 188 1HG MET 27 HG2 MET 27 -10.513 1.798 8.564 189 2HG MET 27 HG1 MET 27 -10.711 1.400 6.858 190 1HE MET 27 HE1 MET 27 -7.516 -0.614 9.471 191 2HE MET 27 HE2 MET 27 -8.398 0.847 9.909 192 3HE MET 27 HE3 MET 27 -7.294 0.871 8.536 193 H LYS 28 HN LYS 28 -7.825 3.630 4.407 194 HA LYS 28 HA LYS 28 -6.088 5.748 5.563 195 1HB LYS 28 HB2 LYS 28 -5.959 3.673 3.415 196 2HB LYS 28 HB1 LYS 28 -4.936 5.099 3.235 197 1HG LYS 28 HG2 LYS 28 -5.029 3.500 5.799 198 2HG LYS 28 HG1 LYS 28 -3.900 3.123 4.497 199 1HD LYS 28 HD2 LYS 28 -3.553 5.827 4.734 200 2HD LYS 28 HD1 LYS 28 -3.885 5.375 6.406 201 1HE LYS 28 HE2 LYS 28 -2.069 3.769 6.408 202 2HE LYS 28 HE1 LYS 28 -1.813 3.991 4.665 203 1HZ LYS 28 HZ1 LYS 28 -1.340 6.319 5.050 204 2HZ LYS 28 HZ2 LYS 28 -0.288 5.361 5.977 205 3HZ LYS 28 HZ3 LYS 28 -1.609 6.135 6.715 206 H LYS 29 HN LYS 29 -8.924 6.087 4.294 207 HA LYS 29 HA LYS 29 -9.963 7.844 3.095 208 1HB LYS 29 HB2 LYS 29 -7.855 8.943 4.264 209 2HB LYS 29 HB1 LYS 29 -7.249 9.030 2.610 210 1HG LYS 29 HG2 LYS 29 -9.101 10.361 1.898 211 2HG LYS 29 HG1 LYS 29 -9.991 10.042 3.388 212 1HD LYS 29 HD2 LYS 29 -7.295 11.321 3.604 213 2HD LYS 29 HD1 LYS 29 -8.648 12.315 3.061 214 1HE LYS 29 HE2 LYS 29 -9.793 12.105 5.090 215 2HE LYS 29 HE1 LYS 29 -8.981 10.582 5.501 216 1HZ LYS 29 HZ1 LYS 29 -7.345 11.696 6.483 217 2HZ LYS 29 HZ2 LYS 29 -8.210 13.139 6.250 218 3HZ LYS 29 HZ3 LYS 29 -7.070 12.633 5.096 219 H ALA 30 HN ALA 30 -8.764 5.408 1.761 220 HA ALA 30 HA ALA 30 -8.106 6.522 -0.932 221 1HB ALA 30 HB1 ALA 30 -7.931 3.682 -0.818 222 2HB ALA 30 HB2 ALA 30 -7.262 4.301 0.692 223 3HB ALA 30 HB3 ALA 30 -6.600 4.839 -0.851 224 H SER 31 HN SER 31 -8.984 4.716 -2.662 225 HA SER 31 HA SER 31 -11.873 4.201 -2.060 226 1HB SER 31 HB2 SER 31 -12.404 5.801 -3.568 227 2HB SER 31 HB1 SER 31 -10.693 6.138 -3.811 228 HG SER 31 HG SER 31 -11.855 5.454 -5.723 229 H GLY 32 HN GLY 32 -9.076 3.520 -4.158 230 1HA GLY 32 HA2 GLY 32 -10.347 0.947 -4.962 231 2HA GLY 32 HA1 GLY 32 -8.984 1.705 -5.786 232 H GLY 33 HN GLY 33 -9.919 -0.023 -2.835 233 1HA GLY 33 HA2 GLY 33 -7.053 -0.440 -2.184 234 2HA GLY 33 HA1 GLY 33 -8.411 -0.827 -1.127 235 H HIS 34 HN HIS 34 -6.081 -2.236 -2.967 236 HA HIS 34 HA HIS 34 -7.499 -4.820 -2.988 237 1HB HIS 34 HB2 HIS 34 -7.098 -5.071 -5.445 238 2HB HIS 34 HB1 HIS 34 -8.200 -3.745 -5.072 239 HD1 HIS 34 HD1 HIS 34 -7.667 -1.710 -6.390 240 HD2 HIS 34 HD2 HIS 34 -4.220 -3.864 -5.464 241 HE1 HIS 34 HE1 HIS 34 -5.729 -0.426 -7.394 242 H CYS 35 HN CYS 35 -5.990 -6.597 -3.259 243 HA CYS 35 HA CYS 35 -3.217 -5.883 -2.533 244 1HB CYS 35 HB2 CYS 35 -4.559 -7.645 -1.376 245 2HB CYS 35 HB1 CYS 35 -4.601 -8.562 -2.883 246 H TYR 36 HN TYR 36 -1.774 -5.537 -4.172 247 HA TYR 36 HA TYR 36 -2.001 -7.234 -6.639 248 1HB TYR 36 HB2 TYR 36 -2.535 -4.588 -6.496 249 2HB TYR 36 HB1 TYR 36 -0.793 -4.513 -6.758 250 HD1 TYR 36 HD1 TYR 36 -4.018 -5.633 -8.175 251 HD2 TYR 36 HD2 TYR 36 0.210 -5.257 -8.832 252 HE1 TYR 36 HE1 TYR 36 -4.350 -6.114 -10.586 253 HE2 TYR 36 HE2 TYR 36 -0.121 -5.740 -11.242 254 HH TYR 36 HH TYR 36 -2.730 -5.416 -12.838 255 H ALA 37 HN ALA 37 -0.067 -8.188 -7.294 256 HA ALA 37 HA ALA 37 2.183 -8.907 -7.122 257 1HB ALA 37 HB1 ALA 37 3.569 -6.670 -6.375 258 2HB ALA 37 HB2 ALA 37 2.052 -5.955 -6.920 259 3HB ALA 37 HB3 ALA 37 2.996 -6.963 -8.017 260 H MET 38 HN MET 38 0.691 -9.545 -4.851 261 HA MET 38 HA MET 38 0.921 -10.079 -2.560 262 1HB MET 38 HB2 MET 38 3.003 -10.997 -3.754 263 2HB MET 38 HB1 MET 38 3.856 -9.591 -3.115 264 1HG MET 38 HG2 MET 38 4.215 -11.318 -1.515 265 2HG MET 38 HG1 MET 38 2.966 -10.289 -0.815 266 1HE MET 38 HE1 MET 38 4.129 -13.400 -0.829 267 2HE MET 38 HE2 MET 38 3.749 -13.805 -2.501 268 3HE MET 38 HE3 MET 38 2.897 -14.616 -1.189 269 H SER 39 HN SER 39 0.986 -7.096 -3.547 270 HA SER 39 HA SER 39 1.843 -5.976 -0.902 271 1HB SER 39 HB2 SER 39 2.245 -4.736 -3.643 272 2HB SER 39 HB1 SER 39 2.824 -4.093 -2.109 273 HG SER 39 HG SER 39 3.523 -6.641 -3.149 274 H CYS 40 HN CYS 40 0.409 -4.438 -0.069 275 HA CYS 40 HA CYS 40 -2.252 -4.289 -1.237 276 1HB CYS 40 HB2 CYS 40 -1.382 -4.243 1.241 277 2HB CYS 40 HB1 CYS 40 -1.196 -2.514 0.951 278 H TYR 41 HN TYR 41 -3.158 -2.577 -2.370 279 HA TYR 41 HA TYR 41 -1.504 -0.115 -2.770 280 1HB TYR 41 HB2 TYR 41 -1.279 -1.896 -4.594 281 2HB TYR 41 HB1 TYR 41 -2.979 -1.602 -4.960 282 HD1 TYR 41 HD1 TYR 41 -3.654 0.278 -6.236 283 HD2 TYR 41 HD2 TYR 41 0.355 0.050 -4.713 284 HE1 TYR 41 HE1 TYR 41 -3.025 2.254 -7.596 285 HE2 TYR 41 HE2 TYR 41 0.986 2.022 -6.076 286 HH TYR 41 HH TYR 41 0.302 3.289 -7.900 287 H CYS 42 HN CYS 42 -2.760 1.704 -2.506 288 HA CYS 42 HA CYS 42 -5.733 1.338 -2.530 289 1HB CYS 42 HB2 CYS 42 -4.044 3.447 -1.152 290 2HB CYS 42 HB1 CYS 42 -5.753 3.114 -0.882 291 H GLU 43 HN GLU 43 -6.953 2.674 -3.836 292 HA GLU 43 HA GLU 43 -5.458 4.561 -5.614 293 1HB GLU 43 HB2 GLU 43 -6.779 2.483 -6.418 294 2HB GLU 43 HB1 GLU 43 -8.224 3.413 -6.025 295 1HG GLU 43 HG2 GLU 43 -6.403 5.069 -7.516 296 2HG GLU 43 HG1 GLU 43 -6.673 3.562 -8.391 297 H GLY 44 HN GLY 44 -5.588 6.448 -4.253 298 1HA GLY 44 HA2 GLY 44 -7.401 8.363 -4.496 299 2HA GLY 44 HA1 GLY 44 -8.308 7.305 -3.418 300 H LEU 45 HN LEU 45 -5.091 6.939 -2.579 301 HA LEU 45 HA LEU 45 -5.343 8.166 -0.040 302 1HB LEU 45 HB2 LEU 45 -2.916 7.573 -1.766 303 2HB LEU 45 HB1 LEU 45 -2.852 7.907 -0.036 304 HG LEU 45 HG LEU 45 -4.178 5.568 -1.419 305 1HD1 LEU 45 HD11 LEU 45 -1.634 5.879 -0.486 306 2HD1 LEU 45 HD12 LEU 45 -2.474 4.329 -0.557 307 3HD1 LEU 45 HD13 LEU 45 -2.440 5.248 0.950 308 1HD2 LEU 45 HD21 LEU 45 -4.896 4.922 0.917 309 2HD2 LEU 45 HD22 LEU 45 -5.740 6.329 0.271 310 3HD2 LEU 45 HD23 LEU 45 -4.440 6.542 1.443 311 HA PRO 46 HA PRO 46 -4.633 12.432 -0.737 312 1HB PRO 46 HB2 PRO 46 -2.999 13.103 1.361 313 2HB PRO 46 HB1 PRO 46 -4.728 12.749 1.550 314 1HG PRO 46 HG2 PRO 46 -2.372 11.015 2.088 315 2HG PRO 46 HG1 PRO 46 -3.890 11.168 2.986 316 1HD PRO 46 HD2 PRO 46 -3.352 9.113 1.280 317 2HD PRO 46 HD1 PRO 46 -4.994 9.693 1.626 318 H GLU 47 HN GLU 47 -2.947 14.018 -1.342 319 HA GLU 47 HA GLU 47 -0.933 12.996 -3.048 320 1HB GLU 47 HB2 GLU 47 -1.871 15.217 -3.249 321 2HB GLU 47 HB1 GLU 47 -1.305 15.652 -1.636 322 1HG GLU 47 HG2 GLU 47 0.329 16.607 -3.015 323 2HG GLU 47 HG1 GLU 47 1.060 15.063 -2.580 324 H ASN 48 HN ASN 48 -0.901 13.409 0.402 325 HA ASN 48 HA ASN 48 2.063 12.925 0.411 326 1HB ASN 48 HB2 ASN 48 2.139 14.275 2.408 327 2HB ASN 48 HB1 ASN 48 1.182 15.164 1.224 328 1HD2 ASN 48 HD21 ASN 48 -1.049 15.535 1.695 329 2HD2 ASN 48 HD22 ASN 48 -1.789 15.027 3.136 330 H ALA 49 HN ALA 49 -0.208 10.926 0.406 331 HA ALA 49 HA ALA 49 -0.625 9.857 3.024 332 1HB ALA 49 HB1 ALA 49 -0.413 8.094 0.617 333 2HB ALA 49 HB2 ALA 49 -1.612 9.387 0.584 334 3HB ALA 49 HB3 ALA 49 -1.676 8.157 1.846 335 H LYS 50 HN LYS 50 0.425 7.985 3.994 336 HA LYS 50 HA LYS 50 3.338 7.965 3.585 337 1HB LYS 50 HB2 LYS 50 1.916 7.859 5.777 338 2HB LYS 50 HB1 LYS 50 1.757 6.144 5.394 339 1HG LYS 50 HG2 LYS 50 4.428 6.471 5.025 340 2HG LYS 50 HG1 LYS 50 4.139 7.663 6.293 341 1HD LYS 50 HD2 LYS 50 2.916 5.867 7.578 342 2HD LYS 50 HD1 LYS 50 3.473 4.710 6.371 343 1HE LYS 50 HE2 LYS 50 5.422 4.518 7.508 344 2HE LYS 50 HE1 LYS 50 5.753 6.227 7.165 345 1HZ LYS 50 HZ1 LYS 50 5.154 6.819 9.217 346 2HZ LYS 50 HZ2 LYS 50 5.229 5.173 9.629 347 3HZ LYS 50 HZ3 LYS 50 3.748 5.872 9.186 348 H VAL 51 HN VAL 51 3.129 7.037 1.318 349 HA VAL 51 HA VAL 51 2.826 4.056 1.446 350 HB VAL 51 HB VAL 51 2.035 4.377 -0.980 351 1HG1 VAL 51 HG11 VAL 51 0.689 4.465 1.475 352 2HG1 VAL 51 HG12 VAL 51 -0.026 4.137 -0.103 353 3HG1 VAL 51 HG13 VAL 51 -0.009 5.782 0.533 354 1HG2 VAL 51 HG21 VAL 51 1.157 7.110 -0.299 355 2HG2 VAL 51 HG22 VAL 51 1.763 6.473 -1.827 356 3HG2 VAL 51 HG23 VAL 51 2.894 6.956 -0.563 357 H SER 52 HN SER 52 4.015 3.001 -0.445 358 HA SER 52 HA SER 52 6.729 4.158 -0.637 359 1HB SER 52 HB2 SER 52 6.042 1.729 -0.082 360 2HB SER 52 HB1 SER 52 5.685 1.570 -1.799 361 HG SER 52 HG SER 52 8.159 2.358 -0.641 362 H ASP 53 HN ASP 53 7.499 5.116 -2.499 363 HA ASP 53 HA ASP 53 5.711 5.086 -4.900 364 1HB ASP 53 HB2 ASP 53 6.569 7.256 -5.343 365 2HB ASP 53 HB1 ASP 53 6.392 7.217 -3.589 366 H SER 54 HN SER 54 7.979 3.167 -3.947 367 HA SER 54 HA SER 54 9.592 3.282 -6.476 368 1HB SER 54 HB2 SER 54 11.408 2.346 -5.126 369 2HB SER 54 HB1 SER 54 10.786 3.792 -4.335 370 HG SER 54 HG SER 54 10.917 2.191 -2.800 371 H ALA 55 HN ALA 55 8.373 1.792 -7.701 372 HA ALA 55 HA ALA 55 7.186 -0.610 -6.694 373 1HB ALA 55 HB1 ALA 55 7.733 0.743 -9.227 374 2HB ALA 55 HB2 ALA 55 6.343 -0.238 -8.765 375 3HB ALA 55 HB3 ALA 55 7.802 -1.012 -9.383 376 H THR 56 HN THR 56 10.468 0.196 -7.141 377 HA THR 56 HA THR 56 11.212 -2.712 -7.211 378 HB THR 56 HB THR 56 12.559 -0.248 -8.360 379 HG1 THR 56 HG1 THR 56 10.711 -1.676 -9.330 380 1HG2 THR 56 HG21 THR 56 13.788 -2.576 -7.386 381 2HG2 THR 56 HG22 THR 56 14.505 -1.374 -8.459 382 3HG2 THR 56 HG23 THR 56 13.706 -2.794 -9.134 383 H ASN 57 HN ASN 57 10.948 -2.371 -4.748 384 HA ASN 57 HA ASN 57 13.600 -1.641 -3.624 385 1HB ASN 57 HB2 ASN 57 12.634 -0.085 -2.053 386 2HB ASN 57 HB1 ASN 57 12.032 0.362 -3.649 387 1HD2 ASN 57 HD21 ASN 57 10.762 0.699 -0.889 388 2HD2 ASN 57 HD22 ASN 57 9.237 -0.030 -1.033 389 H ILE 58 HN ILE 58 14.130 -2.987 -1.903 390 HA ILE 58 HA ILE 58 11.946 -4.595 -0.640 391 HB ILE 58 HB ILE 58 13.067 -5.771 -2.575 392 1HG1 ILE 58 HG12 ILE 58 13.989 -7.594 -0.633 393 2HG1 ILE 58 HG11 ILE 58 12.682 -6.699 0.145 394 1HG2 ILE 58 HG21 ILE 58 15.476 -6.248 -0.912 395 2HG2 ILE 58 HG22 ILE 58 15.353 -4.643 -1.633 396 3HG2 ILE 58 HG23 ILE 58 15.332 -6.076 -2.661 397 1HD1 ILE 58 HD11 ILE 58 12.046 -7.417 -2.617 398 2HD1 ILE 58 HD12 ILE 58 11.111 -7.683 -1.147 399 3HD1 ILE 58 HD13 ILE 58 12.366 -8.830 -1.612 400 H CYS 59 HN CYS 59 12.129 -4.188 1.527 401 HA CYS 59 HA CYS 59 14.801 -3.532 2.673 402 1HB CYS 59 HB2 CYS 59 13.391 -2.784 4.600 403 2HB CYS 59 HB1 CYS 59 12.936 -2.000 3.089 404 H GLY 60 HN GLY 60 15.796 -5.550 3.029 405 1HA GLY 60 HA2 GLY 60 14.773 -7.121 5.260 406 2HA GLY 60 HA1 GLY 60 14.699 -7.989 3.725 Start of MODEL 6 1 1H LYS 1 HT1 LYS 1 -4.792 11.047 -3.641 2 2H LYS 1 HT2 LYS 1 -4.453 9.703 -2.658 3 3H LYS 1 HT3 LYS 1 -5.661 9.605 -3.849 4 HA LYS 1 HA LYS 1 -3.974 9.880 -5.591 5 1HB LYS 1 HB2 LYS 1 -1.712 10.211 -4.982 6 2HB LYS 1 HB1 LYS 1 -2.589 11.185 -3.802 7 1HG LYS 1 HG2 LYS 1 -2.524 9.212 -2.235 8 2HG LYS 1 HG1 LYS 1 -1.468 8.399 -3.390 9 1HD LYS 1 HD2 LYS 1 0.253 10.023 -3.114 10 2HD LYS 1 HD1 LYS 1 -0.831 11.137 -2.279 11 1HE LYS 1 HE2 LYS 1 -1.054 9.450 -0.426 12 2HE LYS 1 HE1 LYS 1 0.188 8.473 -1.234 13 1HZ LYS 1 HZ1 LYS 1 1.634 10.449 -1.230 14 2HZ LYS 1 HZ2 LYS 1 1.242 9.936 0.342 15 3HZ LYS 1 HZ3 LYS 1 0.468 11.290 -0.330 16 H ASP 2 HN ASP 2 -2.917 7.931 -6.419 17 HA ASP 2 HA ASP 2 -3.670 5.488 -4.876 18 1HB ASP 2 HB2 ASP 2 -2.827 5.765 -7.774 19 2HB ASP 2 HB1 ASP 2 -3.717 4.432 -7.038 20 H GLY 3 HN GLY 3 -2.057 4.055 -4.195 21 1HA GLY 3 HA2 GLY 3 0.524 3.812 -5.388 22 2HA GLY 3 HA1 GLY 3 0.650 4.933 -4.035 23 H TYR 4 HN TYR 4 2.133 3.073 -3.330 24 HA TYR 4 HA TYR 4 0.630 0.794 -2.124 25 1HB TYR 4 HB2 TYR 4 3.576 1.374 -2.575 26 2HB TYR 4 HB1 TYR 4 2.949 -0.122 -1.879 27 HD1 TYR 4 HD1 TYR 4 1.714 -1.731 -3.242 28 HD2 TYR 4 HD2 TYR 4 3.225 1.917 -4.932 29 HE1 TYR 4 HE1 TYR 4 1.319 -2.625 -5.521 30 HE2 TYR 4 HE2 TYR 4 2.831 1.024 -7.211 31 HH TYR 4 HH TYR 4 2.410 -0.885 -8.387 32 HA PRO 5 HA PRO 5 1.141 3.015 1.714 33 1HB PRO 5 HB2 PRO 5 -0.348 1.314 3.243 34 2HB PRO 5 HB1 PRO 5 -1.072 2.501 2.141 35 1HG PRO 5 HG2 PRO 5 -0.779 -0.422 1.834 36 2HG PRO 5 HG1 PRO 5 -2.024 0.663 1.204 37 1HD PRO 5 HD2 PRO 5 0.126 -0.394 -0.238 38 2HD PRO 5 HD1 PRO 5 -0.910 0.958 -0.742 39 H VAL 6 HN VAL 6 2.618 2.758 3.409 40 HA VAL 6 HA VAL 6 3.957 0.078 3.640 41 HB VAL 6 HB VAL 6 5.924 1.476 4.346 42 1HG1 VAL 6 HG11 VAL 6 6.088 2.640 1.989 43 2HG1 VAL 6 HG12 VAL 6 4.592 1.762 1.672 44 3HG1 VAL 6 HG13 VAL 6 6.058 0.880 2.099 45 1HG2 VAL 6 HG21 VAL 6 3.913 3.466 4.551 46 2HG2 VAL 6 HG22 VAL 6 4.978 3.962 3.236 47 3HG2 VAL 6 HG23 VAL 6 5.642 3.655 4.840 48 H ASP 7 HN ASP 7 5.046 -0.115 5.906 49 HA ASP 7 HA ASP 7 2.961 0.511 7.933 50 1HB ASP 7 HB2 ASP 7 4.339 -1.152 9.261 51 2HB ASP 7 HB1 ASP 7 3.681 -1.789 7.753 52 H SER 8 HN SER 8 3.934 1.028 10.198 53 HA SER 8 HA SER 8 5.065 3.547 10.321 54 1HB SER 8 HB2 SER 8 5.877 2.746 12.610 55 2HB SER 8 HB1 SER 8 4.174 2.461 12.263 56 HG SER 8 HG SER 8 4.870 0.526 12.933 57 H LYS 9 HN LYS 9 6.734 0.536 9.630 58 HA LYS 9 HA LYS 9 9.410 1.654 10.095 59 1HB LYS 9 HB2 LYS 9 8.918 -0.709 10.464 60 2HB LYS 9 HB1 LYS 9 8.378 -0.885 8.793 61 1HG LYS 9 HG2 LYS 9 10.516 -1.515 8.368 62 2HG LYS 9 HG1 LYS 9 10.886 0.207 8.476 63 1HD LYS 9 HD2 LYS 9 10.817 -1.520 10.946 64 2HD LYS 9 HD1 LYS 9 12.267 -1.423 9.947 65 1HE LYS 9 HE2 LYS 9 11.226 1.240 10.400 66 2HE LYS 9 HE1 LYS 9 11.468 0.412 11.950 67 1HZ LYS 9 HZ1 LYS 9 13.419 1.240 9.994 68 2HZ LYS 9 HZ2 LYS 9 13.623 -0.364 10.512 69 3HZ LYS 9 HZ3 LYS 9 13.619 0.902 11.643 70 H GLY 10 HN GLY 10 7.356 0.903 7.264 71 1HA GLY 10 HA2 GLY 10 7.598 2.610 5.395 72 2HA GLY 10 HA1 GLY 10 9.338 2.393 5.585 73 H CYS 11 HN CYS 11 7.873 -0.554 6.123 74 HA CYS 11 HA CYS 11 8.794 -1.592 3.533 75 1HB CYS 11 HB2 CYS 11 7.601 -2.733 6.066 76 2HB CYS 11 HB1 CYS 11 7.928 -3.746 4.660 77 H LYS 12 HN LYS 12 7.463 -2.202 1.834 78 HA LYS 12 HA LYS 12 4.840 -1.180 1.533 79 1HB LYS 12 HB2 LYS 12 6.437 -3.404 0.259 80 2HB LYS 12 HB1 LYS 12 4.805 -3.029 -0.296 81 1HG LYS 12 HG2 LYS 12 5.467 -0.701 -0.728 82 2HG LYS 12 HG1 LYS 12 7.095 -1.046 -0.141 83 1HD LYS 12 HD2 LYS 12 7.705 -1.942 -2.119 84 2HD LYS 12 HD1 LYS 12 6.268 -2.963 -2.169 85 1HE LYS 12 HE2 LYS 12 4.967 -1.276 -3.224 86 2HE LYS 12 HE1 LYS 12 6.138 -0.007 -2.814 87 1HZ LYS 12 HZ1 LYS 12 7.792 -1.184 -4.163 88 2HZ LYS 12 HZ2 LYS 12 6.456 -0.699 -5.094 89 3HZ LYS 12 HZ3 LYS 12 6.618 -2.322 -4.616 90 H LEU 13 HN LEU 13 2.779 -2.128 1.859 91 HA LEU 13 HA LEU 13 2.628 -4.203 3.918 92 1HB LEU 13 HB2 LEU 13 1.156 -2.171 3.724 93 2HB LEU 13 HB1 LEU 13 0.456 -2.876 2.267 94 HG LEU 13 HG LEU 13 -0.175 -4.894 3.615 95 1HD1 LEU 13 HD11 LEU 13 1.217 -4.960 5.478 96 2HD1 LEU 13 HD12 LEU 13 -0.240 -4.257 6.181 97 3HD1 LEU 13 HD13 LEU 13 1.116 -3.219 5.742 98 1HD2 LEU 13 HD21 LEU 13 -1.334 -2.479 4.977 99 2HD2 LEU 13 HD22 LEU 13 -2.156 -3.923 4.385 100 3HD2 LEU 13 HD23 LEU 13 -1.590 -2.700 3.246 101 H SER 14 HN SER 14 2.864 -6.330 3.322 102 HA SER 14 HA SER 14 2.549 -7.329 0.648 103 1HB SER 14 HB2 SER 14 2.616 -8.588 3.403 104 2HB SER 14 HB1 SER 14 2.586 -9.543 1.924 105 HG SER 14 HG SER 14 4.678 -8.529 3.086 106 H CYS 15 HN CYS 15 0.581 -7.441 -0.394 107 HA CYS 15 HA CYS 15 -1.906 -7.654 1.198 108 1HB CYS 15 HB2 CYS 15 -2.957 -7.177 -0.969 109 2HB CYS 15 HB1 CYS 15 -1.629 -6.054 -0.685 110 H VAL 16 HN VAL 16 -3.127 -9.503 1.331 111 HA VAL 16 HA VAL 16 -2.135 -11.918 -0.140 112 HB VAL 16 HB VAL 16 -2.016 -11.841 2.367 113 1HG1 VAL 16 HG11 VAL 16 -3.795 -11.249 3.636 114 2HG1 VAL 16 HG12 VAL 16 -4.901 -12.252 2.698 115 3HG1 VAL 16 HG13 VAL 16 -4.495 -10.629 2.140 116 1HG2 VAL 16 HG21 VAL 16 -2.104 -14.049 1.686 117 2HG2 VAL 16 HG22 VAL 16 -3.632 -13.835 0.834 118 3HG2 VAL 16 HG23 VAL 16 -3.615 -13.974 2.591 119 H ALA 17 HN ALA 17 -4.843 -9.803 0.381 120 HA ALA 17 HA ALA 17 -6.394 -11.231 -1.686 121 1HB ALA 17 HB1 ALA 17 -8.202 -11.801 -0.259 122 2HB ALA 17 HB2 ALA 17 -7.631 -10.733 1.024 123 3HB ALA 17 HB3 ALA 17 -6.771 -12.233 0.677 124 H ASN 18 HN ASN 18 -7.831 -9.804 -2.727 125 HA ASN 18 HA ASN 18 -7.438 -7.045 -2.718 126 1HB ASN 18 HB2 ASN 18 -9.877 -8.751 -3.287 127 2HB ASN 18 HB1 ASN 18 -9.806 -7.033 -3.682 128 1HD2 ASN 18 HD21 ASN 18 -9.474 -9.931 -5.157 129 2HD2 ASN 18 HD22 ASN 18 -8.289 -9.556 -6.314 130 H ASN 19 HN ASN 19 -9.925 -8.841 -0.871 131 HA ASN 19 HA ASN 19 -11.199 -6.677 0.403 132 1HB ASN 19 HB2 ASN 19 -11.553 -8.478 2.222 133 2HB ASN 19 HB1 ASN 19 -12.085 -8.877 0.589 134 1HD2 ASN 19 HD21 ASN 19 -10.470 -10.219 3.146 135 2HD2 ASN 19 HD22 ASN 19 -9.450 -11.292 2.317 136 H TYR 20 HN TYR 20 -8.280 -8.465 1.437 137 HA TYR 20 HA TYR 20 -7.812 -7.239 3.922 138 1HB TYR 20 HB2 TYR 20 -6.486 -9.083 3.169 139 2HB TYR 20 HB1 TYR 20 -5.994 -8.222 1.712 140 HD1 TYR 20 HD1 TYR 20 -5.897 -7.827 5.444 141 HD2 TYR 20 HD2 TYR 20 -3.907 -7.175 1.692 142 HE1 TYR 20 HE1 TYR 20 -3.929 -6.913 6.645 143 HE2 TYR 20 HE2 TYR 20 -1.940 -6.261 2.895 144 HH TYR 20 HH TYR 20 -1.283 -6.746 5.975 145 H CYS 21 HN CYS 21 -7.080 -6.030 0.659 146 HA CYS 21 HA CYS 21 -5.732 -3.627 1.687 147 1HB CYS 21 HB2 CYS 21 -6.462 -4.828 -0.967 148 2HB CYS 21 HB1 CYS 21 -5.973 -3.135 -0.894 149 H ASP 22 HN ASP 22 -8.801 -4.333 -0.042 150 HA ASP 22 HA ASP 22 -9.890 -1.797 -0.314 151 1HB ASP 22 HB2 ASP 22 -10.859 -4.113 -0.845 152 2HB ASP 22 HB1 ASP 22 -11.410 -4.155 0.830 153 H ASN 23 HN ASN 23 -9.604 -3.704 2.666 154 HA ASN 23 HA ASN 23 -11.041 -1.712 4.279 155 1HB ASN 23 HB2 ASN 23 -10.921 -4.268 4.580 156 2HB ASN 23 HB1 ASN 23 -9.296 -4.000 5.215 157 1HD2 ASN 23 HD21 ASN 23 -9.100 -2.698 7.215 158 2HD2 ASN 23 HD22 ASN 23 -10.431 -2.518 8.254 159 H GLN 24 HN GLN 24 -7.699 -3.033 4.429 160 HA GLN 24 HA GLN 24 -6.506 -1.187 6.129 161 1HB GLN 24 HB2 GLN 24 -5.320 -3.081 5.189 162 2HB GLN 24 HB1 GLN 24 -5.515 -2.452 3.553 163 1HG GLN 24 HG2 GLN 24 -3.332 -1.790 4.048 164 2HG GLN 24 HG1 GLN 24 -4.249 -0.355 4.509 165 1HE2 GLN 24 HE21 GLN 24 -3.008 0.384 6.290 166 2HE2 GLN 24 HE22 GLN 24 -2.716 -0.545 7.681 167 H CYS 25 HN CYS 25 -6.844 -0.853 2.586 168 HA CYS 25 HA CYS 25 -5.808 1.780 2.333 169 1HB CYS 25 HB2 CYS 25 -7.923 0.203 0.832 170 2HB CYS 25 HB1 CYS 25 -7.251 1.722 0.242 171 H LYS 26 HN LYS 26 -9.194 0.680 2.720 172 HA LYS 26 HA LYS 26 -10.528 3.139 2.787 173 1HB LYS 26 HB2 LYS 26 -11.690 1.031 2.867 174 2HB LYS 26 HB1 LYS 26 -10.876 0.573 4.363 175 1HG LYS 26 HG2 LYS 26 -12.004 2.415 5.551 176 2HG LYS 26 HG1 LYS 26 -12.814 2.887 4.056 177 1HD LYS 26 HD2 LYS 26 -14.086 0.881 3.984 178 2HD LYS 26 HD1 LYS 26 -13.066 0.099 5.193 179 1HE LYS 26 HE2 LYS 26 -14.380 0.894 6.855 180 2HE LYS 26 HE1 LYS 26 -14.146 2.556 6.278 181 1HZ LYS 26 HZ1 LYS 26 -16.266 0.648 5.632 182 2HZ LYS 26 HZ2 LYS 26 -15.728 1.658 4.375 183 3HZ LYS 26 HZ3 LYS 26 -16.347 2.333 5.806 184 H MET 27 HN MET 27 -8.928 1.450 5.513 185 HA MET 27 HA MET 27 -9.480 3.347 7.553 186 1HB MET 27 HB2 MET 27 -7.383 1.284 6.963 187 2HB MET 27 HB1 MET 27 -7.118 2.377 8.322 188 1HG MET 27 HG2 MET 27 -8.902 1.539 9.527 189 2HG MET 27 HG1 MET 27 -9.800 1.082 8.079 190 1HE MET 27 HE1 MET 27 -6.639 0.867 9.773 191 2HE MET 27 HE2 MET 27 -5.821 -0.465 8.961 192 3HE MET 27 HE3 MET 27 -6.636 -0.746 10.498 193 H LYS 28 HN LYS 28 -7.039 3.306 4.998 194 HA LYS 28 HA LYS 28 -5.674 5.700 6.062 195 1HB LYS 28 HB2 LYS 28 -5.338 4.126 3.486 196 2HB LYS 28 HB1 LYS 28 -4.193 5.295 4.144 197 1HG LYS 28 HG2 LYS 28 -5.055 3.012 5.879 198 2HG LYS 28 HG1 LYS 28 -3.879 2.703 4.601 199 1HD LYS 28 HD2 LYS 28 -3.242 5.140 6.054 200 2HD LYS 28 HD1 LYS 28 -3.333 3.751 7.138 201 1HE LYS 28 HE2 LYS 28 -1.127 3.539 6.431 202 2HE LYS 28 HE1 LYS 28 -1.927 2.609 5.148 203 1HZ LYS 28 HZ1 LYS 28 -0.568 4.249 4.104 204 2HZ LYS 28 HZ2 LYS 28 -1.194 5.486 5.086 205 3HZ LYS 28 HZ3 LYS 28 -2.181 4.740 3.922 206 H LYS 29 HN LYS 29 -8.563 5.784 5.100 207 HA LYS 29 HA LYS 29 -9.909 7.312 3.905 208 1HB LYS 29 HB2 LYS 29 -7.984 8.707 5.010 209 2HB LYS 29 HB1 LYS 29 -7.381 8.849 3.358 210 1HG LYS 29 HG2 LYS 29 -9.151 10.148 2.674 211 2HG LYS 29 HG1 LYS 29 -10.280 9.385 3.793 212 1HD LYS 29 HD2 LYS 29 -9.967 11.561 4.676 213 2HD LYS 29 HD1 LYS 29 -8.921 10.536 5.660 214 1HE LYS 29 HE2 LYS 29 -7.319 12.091 5.121 215 2HE LYS 29 HE1 LYS 29 -7.234 11.192 3.593 216 1HZ LYS 29 HZ1 LYS 29 -7.951 13.036 2.601 217 2HZ LYS 29 HZ2 LYS 29 -8.280 13.801 4.081 218 3HZ LYS 29 HZ3 LYS 29 -9.450 12.802 3.360 219 H ALA 30 HN ALA 30 -8.976 5.076 2.417 220 HA ALA 30 HA ALA 30 -8.351 6.281 -0.260 221 1HB ALA 30 HB1 ALA 30 -7.045 4.417 -0.652 222 2HB ALA 30 HB2 ALA 30 -8.106 3.358 0.277 223 3HB ALA 30 HB3 ALA 30 -6.963 4.412 1.109 224 H SER 31 HN SER 31 -9.322 4.702 -2.064 225 HA SER 31 HA SER 31 -12.115 3.961 -1.249 226 1HB SER 31 HB2 SER 31 -11.535 6.166 -2.612 227 2HB SER 31 HB1 SER 31 -11.463 5.042 -3.967 228 HG SER 31 HG SER 31 -13.603 6.073 -2.769 229 H GLY 32 HN GLY 32 -9.468 3.435 -3.585 230 1HA GLY 32 HA2 GLY 32 -10.753 0.842 -4.332 231 2HA GLY 32 HA1 GLY 32 -9.564 1.691 -5.321 232 H GLY 33 HN GLY 33 -9.959 -0.091 -2.275 233 1HA GLY 33 HA2 GLY 33 -7.014 -0.416 -2.100 234 2HA GLY 33 HA1 GLY 33 -8.171 -0.859 -0.845 235 H HIS 34 HN HIS 34 -6.170 -2.124 -3.180 236 HA HIS 34 HA HIS 34 -7.528 -4.761 -2.990 237 1HB HIS 34 HB2 HIS 34 -7.522 -5.027 -5.407 238 2HB HIS 34 HB1 HIS 34 -8.344 -3.516 -5.021 239 HD1 HIS 34 HD1 HIS 34 -7.434 -1.442 -6.104 240 HD2 HIS 34 HD2 HIS 34 -4.688 -4.577 -6.200 241 HE1 HIS 34 HE1 HIS 34 -5.473 -0.635 -7.488 242 H CYS 35 HN CYS 35 -6.019 -6.491 -3.985 243 HA CYS 35 HA CYS 35 -3.234 -5.877 -3.133 244 1HB CYS 35 HB2 CYS 35 -4.292 -7.784 -2.109 245 2HB CYS 35 HB1 CYS 35 -4.820 -8.401 -3.673 246 H TYR 36 HN TYR 36 -1.513 -5.960 -4.569 247 HA TYR 36 HA TYR 36 -1.831 -7.131 -7.260 248 1HB TYR 36 HB2 TYR 36 -2.607 -4.522 -6.816 249 2HB TYR 36 HB1 TYR 36 -0.937 -4.323 -7.346 250 HD1 TYR 36 HD1 TYR 36 -0.236 -5.762 -9.445 251 HD2 TYR 36 HD2 TYR 36 -4.284 -4.750 -8.429 252 HE1 TYR 36 HE1 TYR 36 -0.925 -6.163 -11.793 253 HE2 TYR 36 HE2 TYR 36 -4.974 -5.151 -10.777 254 HH TYR 36 HH TYR 36 -2.895 -5.293 -13.303 255 H ALA 37 HN ALA 37 0.124 -8.097 -7.666 256 HA ALA 37 HA ALA 37 2.472 -8.415 -7.750 257 1HB ALA 37 HB1 ALA 37 3.743 -6.447 -7.869 258 2HB ALA 37 HB2 ALA 37 2.778 -5.637 -6.635 259 3HB ALA 37 HB3 ALA 37 2.129 -5.854 -8.261 260 H MET 38 HN MET 38 0.900 -9.063 -5.365 261 HA MET 38 HA MET 38 1.293 -9.777 -3.149 262 1HB MET 38 HB2 MET 38 4.157 -9.147 -3.943 263 2HB MET 38 HB1 MET 38 3.650 -10.212 -2.632 264 1HG MET 38 HG2 MET 38 2.263 -11.316 -4.675 265 2HG MET 38 HG1 MET 38 3.654 -10.689 -5.562 266 1HE MET 38 HE1 MET 38 4.519 -13.575 -6.063 267 2HE MET 38 HE2 MET 38 2.828 -13.323 -5.637 268 3HE MET 38 HE3 MET 38 3.760 -14.571 -4.813 269 H SER 39 HN SER 39 1.409 -6.702 -4.110 270 HA SER 39 HA SER 39 2.172 -5.667 -1.401 271 1HB SER 39 HB2 SER 39 2.361 -4.195 -4.041 272 2HB SER 39 HB1 SER 39 3.099 -3.747 -2.506 273 HG SER 39 HG SER 39 4.126 -5.225 -4.425 274 H CYS 40 HN CYS 40 0.677 -4.216 -0.480 275 HA CYS 40 HA CYS 40 -2.030 -4.239 -1.543 276 1HB CYS 40 HB2 CYS 40 -1.159 -4.195 0.892 277 2HB CYS 40 HB1 CYS 40 -0.933 -2.464 0.643 278 H TYR 41 HN TYR 41 -3.149 -2.541 -2.530 279 HA TYR 41 HA TYR 41 -1.642 -0.009 -3.067 280 1HB TYR 41 HB2 TYR 41 -1.578 -1.794 -4.919 281 2HB TYR 41 HB1 TYR 41 -3.307 -1.498 -5.113 282 HD1 TYR 41 HD1 TYR 41 -4.086 0.356 -6.358 283 HD2 TYR 41 HD2 TYR 41 0.015 0.204 -5.090 284 HE1 TYR 41 HE1 TYR 41 -3.587 2.360 -7.732 285 HE2 TYR 41 HE2 TYR 41 0.514 2.207 -6.464 286 HH TYR 41 HH TYR 41 -0.977 3.231 -8.828 287 H CYS 42 HN CYS 42 -2.938 1.786 -2.731 288 HA CYS 42 HA CYS 42 -5.890 1.306 -2.484 289 1HB CYS 42 HB2 CYS 42 -4.257 3.468 -1.132 290 2HB CYS 42 HB1 CYS 42 -5.875 2.914 -0.710 291 H GLU 43 HN GLU 43 -7.264 2.795 -3.484 292 HA GLU 43 HA GLU 43 -5.952 4.705 -5.381 293 1HB GLU 43 HB2 GLU 43 -7.442 2.707 -6.087 294 2HB GLU 43 HB1 GLU 43 -8.787 3.656 -5.456 295 1HG GLU 43 HG2 GLU 43 -7.783 5.571 -6.941 296 2HG GLU 43 HG1 GLU 43 -6.995 4.243 -7.795 297 H GLY 44 HN GLY 44 -5.825 6.516 -3.918 298 1HA GLY 44 HA2 GLY 44 -7.288 8.603 -3.734 299 2HA GLY 44 HA1 GLY 44 -8.470 7.541 -2.968 300 H LEU 45 HN LEU 45 -5.012 7.245 -2.398 301 HA LEU 45 HA LEU 45 -5.333 7.354 0.466 302 1HB LEU 45 HB2 LEU 45 -3.017 7.441 -1.478 303 2HB LEU 45 HB1 LEU 45 -2.760 7.480 0.265 304 HG LEU 45 HG LEU 45 -4.339 5.334 -1.178 305 1HD1 LEU 45 HD11 LEU 45 -2.257 3.966 -0.383 306 2HD1 LEU 45 HD12 LEU 45 -1.455 5.536 -0.342 307 3HD1 LEU 45 HD13 LEU 45 -2.129 4.930 -1.855 308 1HD2 LEU 45 HD21 LEU 45 -3.308 4.570 1.380 309 2HD2 LEU 45 HD22 LEU 45 -4.995 4.727 0.890 310 3HD2 LEU 45 HD23 LEU 45 -4.140 6.113 1.566 311 HA PRO 46 HA PRO 46 -4.891 11.651 1.253 312 1HB PRO 46 HB2 PRO 46 -3.243 11.715 3.435 313 2HB PRO 46 HB1 PRO 46 -4.929 11.165 3.513 314 1HG PRO 46 HG2 PRO 46 -2.421 9.580 3.462 315 2HG PRO 46 HG1 PRO 46 -3.942 9.265 4.309 316 1HD PRO 46 HD2 PRO 46 -3.167 8.022 1.979 317 2HD PRO 46 HD1 PRO 46 -4.847 8.174 2.529 318 H GLU 47 HN GLU 47 -3.641 13.279 0.382 319 HA GLU 47 HA GLU 47 -1.358 12.883 -1.155 320 1HB GLU 47 HB2 GLU 47 -2.731 14.896 -1.177 321 2HB GLU 47 HB1 GLU 47 -2.240 15.286 0.472 322 1HG GLU 47 HG2 GLU 47 -0.173 16.035 -0.175 323 2HG GLU 47 HG1 GLU 47 -0.049 14.869 -1.493 324 H ASN 48 HN ASN 48 -1.550 13.089 2.332 325 HA ASN 48 HA ASN 48 1.426 13.325 2.507 326 1HB ASN 48 HB2 ASN 48 1.050 14.225 4.650 327 2HB ASN 48 HB1 ASN 48 -0.326 14.828 3.729 328 1HD2 ASN 48 HD21 ASN 48 0.210 13.798 6.711 329 2HD2 ASN 48 HD22 ASN 48 -1.180 12.871 7.012 330 H ALA 49 HN ALA 49 -0.380 10.834 1.930 331 HA ALA 49 HA ALA 49 -0.076 9.089 4.224 332 1HB ALA 49 HB1 ALA 49 -1.505 9.090 1.911 333 2HB ALA 49 HB2 ALA 49 -1.238 7.641 2.881 334 3HB ALA 49 HB3 ALA 49 -0.216 7.967 1.481 335 H LYS 50 HN LYS 50 1.406 7.276 4.367 336 HA LYS 50 HA LYS 50 4.081 7.878 3.221 337 1HB LYS 50 HB2 LYS 50 3.444 7.370 5.700 338 2HB LYS 50 HB1 LYS 50 3.365 5.689 5.171 339 1HG LYS 50 HG2 LYS 50 5.614 5.512 5.084 340 2HG LYS 50 HG1 LYS 50 5.768 7.031 4.199 341 1HD LYS 50 HD2 LYS 50 6.345 8.151 6.069 342 2HD LYS 50 HD1 LYS 50 4.966 7.498 6.955 343 1HE LYS 50 HE2 LYS 50 6.933 5.412 6.529 344 2HE LYS 50 HE1 LYS 50 7.675 6.809 7.333 345 1HZ LYS 50 HZ1 LYS 50 6.299 5.043 8.692 346 2HZ LYS 50 HZ2 LYS 50 4.991 5.996 8.174 347 3HZ LYS 50 HZ3 LYS 50 6.244 6.692 9.085 348 H VAL 51 HN VAL 51 4.043 7.046 1.096 349 HA VAL 51 HA VAL 51 3.526 4.100 0.877 350 HB VAL 51 HB VAL 51 2.643 4.681 -1.419 351 1HG1 VAL 51 HG11 VAL 51 1.428 5.447 1.176 352 2HG1 VAL 51 HG12 VAL 51 0.823 4.357 -0.072 353 3HG1 VAL 51 HG13 VAL 51 0.640 6.101 -0.259 354 1HG2 VAL 51 HG21 VAL 51 2.099 7.029 -1.870 355 2HG2 VAL 51 HG22 VAL 51 3.832 6.866 -1.586 356 3HG2 VAL 51 HG23 VAL 51 2.786 7.506 -0.317 357 H SER 52 HN SER 52 4.615 3.193 -1.149 358 HA SER 52 HA SER 52 7.393 4.200 -1.280 359 1HB SER 52 HB2 SER 52 7.310 1.881 -1.032 360 2HB SER 52 HB1 SER 52 5.860 1.728 -2.020 361 HG SER 52 HG SER 52 8.543 1.918 -2.760 362 H ASP 53 HN ASP 53 8.387 4.812 -3.287 363 HA ASP 53 HA ASP 53 6.445 5.681 -5.389 364 1HB ASP 53 HB2 ASP 53 8.195 7.303 -5.946 365 2HB ASP 53 HB1 ASP 53 7.887 7.351 -4.209 366 H SER 54 HN SER 54 7.615 2.905 -5.113 367 HA SER 54 HA SER 54 8.510 2.643 -7.916 368 1HB SER 54 HB2 SER 54 10.628 1.582 -7.258 369 2HB SER 54 HB1 SER 54 10.535 3.205 -6.581 370 HG SER 54 HG SER 54 10.905 2.185 -4.774 371 H ALA 55 HN ALA 55 8.648 0.302 -8.530 372 HA ALA 55 HA ALA 55 6.596 -1.269 -7.090 373 1HB ALA 55 HB1 ALA 55 7.425 -2.766 -9.221 374 2HB ALA 55 HB2 ALA 55 7.873 -1.147 -9.758 375 3HB ALA 55 HB3 ALA 55 6.200 -1.501 -9.329 376 H THR 56 HN THR 56 9.948 -0.941 -6.943 377 HA THR 56 HA THR 56 10.642 -3.759 -6.550 378 HB THR 56 HB THR 56 12.438 -1.708 -5.461 379 HG1 THR 56 HG1 THR 56 11.883 -0.290 -6.920 380 1HG2 THR 56 HG21 THR 56 12.518 -4.164 -6.940 381 2HG2 THR 56 HG22 THR 56 13.849 -3.309 -6.160 382 3HG2 THR 56 HG23 THR 56 13.418 -2.936 -7.829 383 H ASN 57 HN ASN 57 12.086 -3.938 -4.293 384 HA ASN 57 HA ASN 57 10.066 -3.470 -2.144 385 1HB ASN 57 HB2 ASN 57 11.178 -5.329 -1.050 386 2HB ASN 57 HB1 ASN 57 10.918 -5.772 -2.738 387 1HD2 ASN 57 HD21 ASN 57 13.393 -4.831 -0.378 388 2HD2 ASN 57 HD22 ASN 57 14.723 -5.245 -1.348 389 H ILE 58 HN ILE 58 10.487 -1.865 -0.694 390 HA ILE 58 HA ILE 58 13.347 -1.120 -0.176 391 HB ILE 58 HB ILE 58 12.411 0.574 -1.589 392 1HG1 ILE 58 HG12 ILE 58 11.920 1.612 1.213 393 2HG1 ILE 58 HG11 ILE 58 13.540 1.321 0.582 394 1HG2 ILE 58 HG21 ILE 58 10.215 1.601 -1.134 395 2HG2 ILE 58 HG22 ILE 58 10.005 0.541 0.259 396 3HG2 ILE 58 HG23 ILE 58 10.055 -0.140 -1.366 397 1HD1 ILE 58 HD11 ILE 58 11.935 3.622 0.200 398 2HD1 ILE 58 HD12 ILE 58 12.009 2.800 -1.359 399 3HD1 ILE 58 HD13 ILE 58 13.498 3.270 -0.539 400 H CYS 59 HN CYS 59 13.128 -2.528 1.749 401 HA CYS 59 HA CYS 59 11.145 -1.745 3.795 402 1HB CYS 59 HB2 CYS 59 12.772 -4.019 3.070 403 2HB CYS 59 HB1 CYS 59 13.030 -3.623 4.770 404 H GLY 60 HN GLY 60 12.539 -2.049 6.136 405 1HA GLY 60 HA2 GLY 60 14.132 0.425 6.213 406 2HA GLY 60 HA1 GLY 60 13.616 -0.519 7.611 Start of MODEL 7 1 1H LYS 1 HT1 LYS 1 -4.502 11.490 -3.240 2 2H LYS 1 HT2 LYS 1 -3.253 12.244 -2.370 3 3H LYS 1 HT3 LYS 1 -3.826 10.719 -1.890 4 HA LYS 1 HA LYS 1 -2.751 10.984 -4.609 5 1HB LYS 1 HB2 LYS 1 -0.484 10.862 -3.752 6 2HB LYS 1 HB1 LYS 1 -1.274 12.244 -2.991 7 1HG LYS 1 HG2 LYS 1 -1.690 10.982 -0.973 8 2HG LYS 1 HG1 LYS 1 -1.130 9.493 -1.734 9 1HD LYS 1 HD2 LYS 1 1.101 10.768 -2.101 10 2HD LYS 1 HD1 LYS 1 0.488 11.890 -0.886 11 1HE LYS 1 HE2 LYS 1 0.068 9.813 0.585 12 2HE LYS 1 HE1 LYS 1 1.110 8.946 -0.561 13 1HZ LYS 1 HZ1 LYS 1 2.736 10.799 -0.277 14 2HZ LYS 1 HZ2 LYS 1 2.515 9.848 1.113 15 3HZ LYS 1 HZ3 LYS 1 1.785 11.379 1.002 16 H ASP 2 HN ASP 2 -1.521 8.883 -5.028 17 HA ASP 2 HA ASP 2 -2.844 6.623 -3.563 18 1HB ASP 2 HB2 ASP 2 -1.617 6.586 -6.329 19 2HB ASP 2 HB1 ASP 2 -2.807 5.473 -5.656 20 H GLY 3 HN GLY 3 -1.462 4.622 -3.401 21 1HA GLY 3 HA2 GLY 3 1.245 4.397 -3.994 22 2HA GLY 3 HA1 GLY 3 1.212 5.304 -2.483 23 H TYR 4 HN TYR 4 2.449 2.981 -2.246 24 HA TYR 4 HA TYR 4 0.486 0.933 -1.304 25 1HB TYR 4 HB2 TYR 4 3.498 0.831 -1.694 26 2HB TYR 4 HB1 TYR 4 2.449 -0.547 -1.370 27 HD1 TYR 4 HD1 TYR 4 1.298 -1.651 -3.126 28 HD2 TYR 4 HD2 TYR 4 3.150 2.159 -3.834 29 HE1 TYR 4 HE1 TYR 4 0.882 -1.900 -5.558 30 HE2 TYR 4 HE2 TYR 4 2.734 1.910 -6.266 31 HH TYR 4 HH TYR 4 0.729 0.300 -7.631 32 HA PRO 5 HA PRO 5 1.390 2.363 2.804 33 1HB PRO 5 HB2 PRO 5 0.218 0.300 4.157 34 2HB PRO 5 HB1 PRO 5 -0.712 1.612 3.403 35 1HG PRO 5 HG2 PRO 5 -0.183 -1.146 2.399 36 2HG PRO 5 HG1 PRO 5 -1.670 -0.187 2.327 37 1HD PRO 5 HD2 PRO 5 -0.006 -0.479 0.205 38 2HD PRO 5 HD1 PRO 5 -0.983 0.984 0.469 39 H VAL 6 HN VAL 6 3.139 1.999 4.129 40 HA VAL 6 HA VAL 6 4.677 -0.537 3.695 41 HB VAL 6 HB VAL 6 6.554 0.921 4.619 42 1HG1 VAL 6 HG11 VAL 6 5.042 1.493 2.085 43 2HG1 VAL 6 HG12 VAL 6 6.601 0.696 2.292 44 3HG1 VAL 6 HG13 VAL 6 6.472 2.445 2.484 45 1HG2 VAL 6 HG21 VAL 6 4.517 2.531 5.465 46 2HG2 VAL 6 HG22 VAL 6 4.977 3.340 3.968 47 3HG2 VAL 6 HG23 VAL 6 6.175 3.086 5.236 48 H ASP 7 HN ASP 7 5.979 -1.197 5.722 49 HA ASP 7 HA ASP 7 4.146 -1.096 8.079 50 1HB ASP 7 HB2 ASP 7 5.436 -3.148 8.719 51 2HB ASP 7 HB1 ASP 7 4.665 -3.293 7.139 52 H SER 8 HN SER 8 5.853 -1.715 10.116 53 HA SER 8 HA SER 8 7.057 0.760 10.828 54 1HB SER 8 HB2 SER 8 7.842 -0.492 12.737 55 2HB SER 8 HB1 SER 8 6.277 -1.163 12.286 56 HG SER 8 HG SER 8 8.866 -2.202 11.911 57 H LYS 9 HN LYS 9 8.261 -1.790 8.812 58 HA LYS 9 HA LYS 9 11.095 -1.044 9.230 59 1HB LYS 9 HB2 LYS 9 10.133 -3.396 8.889 60 2HB LYS 9 HB1 LYS 9 9.902 -2.943 7.199 61 1HG LYS 9 HG2 LYS 9 12.261 -2.551 6.903 62 2HG LYS 9 HG1 LYS 9 12.560 -2.722 8.633 63 1HD LYS 9 HD2 LYS 9 13.198 -4.797 7.571 64 2HD LYS 9 HD1 LYS 9 11.704 -5.089 8.463 65 1HE LYS 9 HE2 LYS 9 11.203 -4.157 5.728 66 2HE LYS 9 HE1 LYS 9 12.094 -5.691 5.783 67 1HZ LYS 9 HZ1 LYS 9 9.586 -5.050 7.246 68 2HZ LYS 9 HZ2 LYS 9 10.479 -6.482 7.443 69 3HZ LYS 9 HZ3 LYS 9 9.744 -6.134 5.951 70 H GLY 10 HN GLY 10 8.503 -0.513 6.905 71 1HA GLY 10 HA2 GLY 10 8.638 1.532 5.513 72 2HA GLY 10 HA1 GLY 10 10.372 1.239 5.362 73 H CYS 11 HN CYS 11 8.713 -1.679 5.210 74 HA CYS 11 HA CYS 11 9.086 -1.773 2.257 75 1HB CYS 11 HB2 CYS 11 9.004 -3.681 4.555 76 2HB CYS 11 HB1 CYS 11 8.532 -4.297 2.972 77 H LYS 12 HN LYS 12 7.348 -2.175 0.865 78 HA LYS 12 HA LYS 12 4.747 -1.355 1.435 79 1HB LYS 12 HB2 LYS 12 5.835 -3.438 -0.477 80 2HB LYS 12 HB1 LYS 12 4.178 -2.841 -0.555 81 1HG LYS 12 HG2 LYS 12 4.910 -1.094 -1.768 82 2HG LYS 12 HG1 LYS 12 5.833 -0.553 -0.365 83 1HD LYS 12 HD2 LYS 12 7.645 -0.866 -1.701 84 2HD LYS 12 HD1 LYS 12 7.422 -2.575 -1.319 85 1HE LYS 12 HE2 LYS 12 6.838 -3.046 -3.459 86 2HE LYS 12 HE1 LYS 12 5.653 -1.725 -3.483 87 1HZ LYS 12 HZ1 LYS 12 8.493 -1.021 -3.460 88 2HZ LYS 12 HZ2 LYS 12 7.185 -0.220 -4.191 89 3HZ LYS 12 HZ3 LYS 12 7.846 -1.608 -4.915 90 H LEU 13 HN LEU 13 2.755 -2.618 1.772 91 HA LEU 13 HA LEU 13 3.169 -4.836 3.695 92 1HB LEU 13 HB2 LEU 13 1.658 -2.809 4.027 93 2HB LEU 13 HB1 LEU 13 0.611 -3.491 2.783 94 HG LEU 13 HG LEU 13 0.774 -5.667 4.267 95 1HD1 LEU 13 HD11 LEU 13 2.280 -3.861 5.800 96 2HD1 LEU 13 HD12 LEU 13 1.681 -5.436 6.319 97 3HD1 LEU 13 HD13 LEU 13 0.731 -3.984 6.634 98 1HD2 LEU 13 HD21 LEU 13 -1.158 -4.649 5.689 99 2HD2 LEU 13 HD22 LEU 13 -1.358 -4.713 3.937 100 3HD2 LEU 13 HD23 LEU 13 -0.900 -3.199 4.719 101 H SER 14 HN SER 14 2.426 -6.949 3.309 102 HA SER 14 HA SER 14 1.967 -7.684 0.495 103 1HB SER 14 HB2 SER 14 2.435 -9.063 3.124 104 2HB SER 14 HB1 SER 14 1.841 -9.997 1.754 105 HG SER 14 HG SER 14 4.285 -8.695 2.136 106 H CYS 15 HN CYS 15 0.053 -8.894 -0.183 107 HA CYS 15 HA CYS 15 -2.279 -8.857 1.664 108 1HB CYS 15 HB2 CYS 15 -3.593 -7.647 -0.094 109 2HB CYS 15 HB1 CYS 15 -2.273 -6.677 0.559 110 H VAL 16 HN VAL 16 -3.921 -10.344 1.023 111 HA VAL 16 HA VAL 16 -3.157 -12.167 -1.236 112 HB VAL 16 HB VAL 16 -2.905 -12.950 1.188 113 1HG1 VAL 16 HG11 VAL 16 -5.928 -12.799 1.001 114 2HG1 VAL 16 HG12 VAL 16 -4.897 -11.910 2.123 115 3HG1 VAL 16 HG13 VAL 16 -5.050 -13.661 2.265 116 1HG2 VAL 16 HG21 VAL 16 -3.240 -15.071 0.437 117 2HG2 VAL 16 HG22 VAL 16 -3.645 -14.291 -1.091 118 3HG2 VAL 16 HG23 VAL 16 -4.926 -14.759 0.028 119 H ALA 17 HN ALA 17 -5.429 -9.949 -0.142 120 HA ALA 17 HA ALA 17 -7.426 -10.920 -2.119 121 1HB ALA 17 HB1 ALA 17 -7.788 -11.763 0.324 122 2HB ALA 17 HB2 ALA 17 -9.162 -11.051 -0.521 123 3HB ALA 17 HB3 ALA 17 -8.265 -10.099 0.661 124 H ASN 18 HN ASN 18 -8.843 -9.187 -2.827 125 HA ASN 18 HA ASN 18 -7.620 -6.553 -2.766 126 1HB ASN 18 HB2 ASN 18 -10.272 -7.622 -3.786 127 2HB ASN 18 HB1 ASN 18 -9.645 -6.012 -4.147 128 1HD2 ASN 18 HD21 ASN 18 -9.975 -8.830 -5.673 129 2HD2 ASN 18 HD22 ASN 18 -8.530 -8.903 -6.560 130 H ASN 19 HN ASN 19 -10.560 -7.975 -1.315 131 HA ASN 19 HA ASN 19 -11.735 -5.689 -0.184 132 1HB ASN 19 HB2 ASN 19 -12.439 -7.413 1.609 133 2HB ASN 19 HB1 ASN 19 -12.840 -7.796 -0.063 134 1HD2 ASN 19 HD21 ASN 19 -11.439 -9.090 2.697 135 2HD2 ASN 19 HD22 ASN 19 -10.521 -10.325 1.978 136 H TYR 20 HN TYR 20 -9.154 -7.740 1.210 137 HA TYR 20 HA TYR 20 -8.797 -6.629 3.720 138 1HB TYR 20 HB2 TYR 20 -7.456 -8.454 2.901 139 2HB TYR 20 HB1 TYR 20 -6.800 -7.462 1.599 140 HD1 TYR 20 HD1 TYR 20 -7.280 -6.781 5.256 141 HD2 TYR 20 HD2 TYR 20 -4.519 -7.154 1.987 142 HE1 TYR 20 HE1 TYR 20 -5.428 -6.058 6.738 143 HE2 TYR 20 HE2 TYR 20 -2.668 -6.431 3.468 144 HH TYR 20 HH TYR 20 -3.281 -5.445 6.830 145 H CYS 21 HN CYS 21 -7.552 -5.305 0.642 146 HA CYS 21 HA CYS 21 -6.336 -2.976 1.901 147 1HB CYS 21 HB2 CYS 21 -6.998 -3.870 -0.911 148 2HB CYS 21 HB1 CYS 21 -6.260 -2.300 -0.593 149 H ASP 22 HN ASP 22 -9.352 -3.603 0.098 150 HA ASP 22 HA ASP 22 -10.402 -1.052 -0.223 151 1HB ASP 22 HB2 ASP 22 -11.506 -3.102 -0.948 152 2HB ASP 22 HB1 ASP 22 -11.737 -3.607 0.727 153 H ASN 23 HN ASN 23 -10.782 -3.079 2.712 154 HA ASN 23 HA ASN 23 -11.965 -0.925 4.266 155 1HB ASN 23 HB2 ASN 23 -12.107 -3.536 4.449 156 2HB ASN 23 HB1 ASN 23 -10.617 -3.380 5.381 157 1HD2 ASN 23 HD21 ASN 23 -12.069 -4.209 7.213 158 2HD2 ASN 23 HD22 ASN 23 -12.992 -3.070 8.068 159 H GLN 24 HN GLN 24 -8.702 -2.333 3.983 160 HA GLN 24 HA GLN 24 -7.484 -0.888 6.137 161 1HB GLN 24 HB2 GLN 24 -6.592 -2.878 4.878 162 2HB GLN 24 HB1 GLN 24 -6.273 -1.809 3.511 163 1HG GLN 24 HG2 GLN 24 -4.211 -1.848 4.650 164 2HG GLN 24 HG1 GLN 24 -4.967 -0.363 5.231 165 1HE2 GLN 24 HE21 GLN 24 -5.354 -0.195 7.471 166 2HE2 GLN 24 HE22 GLN 24 -5.125 -1.465 8.573 167 H CYS 25 HN CYS 25 -7.450 -0.210 2.615 168 HA CYS 25 HA CYS 25 -6.125 2.282 2.701 169 1HB CYS 25 HB2 CYS 25 -8.315 1.193 0.904 170 2HB CYS 25 HB1 CYS 25 -7.365 2.629 0.527 171 H LYS 26 HN LYS 26 -9.668 1.688 2.680 172 HA LYS 26 HA LYS 26 -10.620 4.295 2.933 173 1HB LYS 26 HB2 LYS 26 -11.827 2.025 2.815 174 2HB LYS 26 HB1 LYS 26 -11.630 1.955 4.567 175 1HG LYS 26 HG2 LYS 26 -13.736 2.958 4.343 176 2HG LYS 26 HG1 LYS 26 -12.672 4.353 4.524 177 1HD LYS 26 HD2 LYS 26 -12.871 3.487 1.745 178 2HD LYS 26 HD1 LYS 26 -14.443 3.917 2.420 179 1HE LYS 26 HE2 LYS 26 -13.567 6.098 3.145 180 2HE LYS 26 HE1 LYS 26 -11.961 5.671 2.522 181 1HZ LYS 26 HZ1 LYS 26 -13.614 6.935 0.994 182 2HZ LYS 26 HZ2 LYS 26 -14.322 5.404 0.784 183 3HZ LYS 26 HZ3 LYS 26 -12.698 5.658 0.356 184 H MET 27 HN MET 27 -9.605 2.135 5.598 185 HA MET 27 HA MET 27 -10.027 3.869 7.777 186 1HB MET 27 HB2 MET 27 -8.027 1.700 7.131 187 2HB MET 27 HB1 MET 27 -8.013 2.506 8.700 188 1HG MET 27 HG2 MET 27 -10.713 1.867 8.197 189 2HG MET 27 HG1 MET 27 -9.788 0.436 7.740 190 1HE MET 27 HE1 MET 27 -7.596 -0.384 10.527 191 2HE MET 27 HE2 MET 27 -7.207 1.331 10.421 192 3HE MET 27 HE3 MET 27 -7.495 0.408 8.948 193 H LYS 28 HN LYS 28 -7.313 3.720 5.491 194 HA LYS 28 HA LYS 28 -5.825 5.827 6.929 195 1HB LYS 28 HB2 LYS 28 -5.306 4.499 4.252 196 2HB LYS 28 HB1 LYS 28 -4.131 5.337 5.266 197 1HG LYS 28 HG2 LYS 28 -4.755 3.611 7.085 198 2HG LYS 28 HG1 LYS 28 -5.484 2.689 5.770 199 1HD LYS 28 HD2 LYS 28 -3.437 2.325 4.709 200 2HD LYS 28 HD1 LYS 28 -2.681 3.725 5.471 201 1HE LYS 28 HE2 LYS 28 -3.622 1.483 7.234 202 2HE LYS 28 HE1 LYS 28 -2.100 1.291 6.342 203 1HZ LYS 28 HZ1 LYS 28 -2.115 2.511 8.633 204 2HZ LYS 28 HZ2 LYS 28 -2.649 3.833 7.710 205 3HZ LYS 28 HZ3 LYS 28 -1.157 3.098 7.363 206 H LYS 29 HN LYS 29 -8.538 6.233 5.460 207 HA LYS 29 HA LYS 29 -9.511 8.096 4.382 208 1HB LYS 29 HB2 LYS 29 -7.423 9.091 5.686 209 2HB LYS 29 HB1 LYS 29 -6.791 9.308 4.052 210 1HG LYS 29 HG2 LYS 29 -8.411 10.849 3.478 211 2HG LYS 29 HG1 LYS 29 -9.604 10.163 4.581 212 1HD LYS 29 HD2 LYS 29 -7.278 11.202 6.004 213 2HD LYS 29 HD1 LYS 29 -8.075 12.447 5.043 214 1HE LYS 29 HE2 LYS 29 -10.063 10.814 6.379 215 2HE LYS 29 HE1 LYS 29 -8.917 11.485 7.555 216 1HZ LYS 29 HZ1 LYS 29 -10.631 13.104 7.099 217 2HZ LYS 29 HZ2 LYS 29 -10.341 12.997 5.427 218 3HZ LYS 29 HZ3 LYS 29 -9.159 13.651 6.457 219 H ALA 30 HN ALA 30 -8.775 5.811 2.826 220 HA ALA 30 HA ALA 30 -7.921 7.117 0.260 221 1HB ALA 30 HB1 ALA 30 -7.476 4.347 1.400 222 2HB ALA 30 HB2 ALA 30 -6.255 5.536 0.948 223 3HB ALA 30 HB3 ALA 30 -7.198 4.720 -0.300 224 H SER 31 HN SER 31 -8.830 5.681 -1.665 225 HA SER 31 HA SER 31 -11.655 4.901 -1.016 226 1HB SER 31 HB2 SER 31 -11.640 5.889 -3.615 227 2HB SER 31 HB1 SER 31 -12.172 6.772 -2.188 228 HG SER 31 HG SER 31 -10.584 7.967 -3.208 229 H GLY 32 HN GLY 32 -8.918 4.519 -3.274 230 1HA GLY 32 HA2 GLY 32 -10.198 2.045 -4.331 231 2HA GLY 32 HA1 GLY 32 -8.847 2.893 -5.085 232 H GLY 33 HN GLY 33 -9.748 0.744 -2.436 233 1HA GLY 33 HA2 GLY 33 -6.848 0.216 -1.959 234 2HA GLY 33 HA1 GLY 33 -8.128 -0.124 -0.796 235 H HIS 34 HN HIS 34 -6.065 -1.628 -2.840 236 HA HIS 34 HA HIS 34 -7.723 -4.077 -2.903 237 1HB HIS 34 HB2 HIS 34 -7.292 -4.253 -5.390 238 2HB HIS 34 HB1 HIS 34 -8.354 -2.919 -4.936 239 HD1 HIS 34 HD1 HIS 34 -7.730 -0.746 -5.968 240 HD2 HIS 34 HD2 HIS 34 -4.406 -3.217 -5.489 241 HE1 HIS 34 HE1 HIS 34 -5.751 0.521 -6.914 242 H CYS 35 HN CYS 35 -6.311 -5.904 -3.940 243 HA CYS 35 HA CYS 35 -3.543 -5.633 -2.858 244 1HB CYS 35 HB2 CYS 35 -5.020 -7.444 -2.045 245 2HB CYS 35 HB1 CYS 35 -5.220 -8.023 -3.699 246 H TYR 36 HN TYR 36 -1.983 -5.178 -4.378 247 HA TYR 36 HA TYR 36 -2.266 -6.423 -7.089 248 1HB TYR 36 HB2 TYR 36 -2.585 -3.718 -6.388 249 2HB TYR 36 HB1 TYR 36 -0.986 -3.818 -7.124 250 HD1 TYR 36 HD1 TYR 36 -3.920 -2.740 -8.087 251 HD2 TYR 36 HD2 TYR 36 -1.379 -6.076 -9.014 252 HE1 TYR 36 HE1 TYR 36 -4.957 -2.904 -10.333 253 HE2 TYR 36 HE2 TYR 36 -2.415 -6.241 -11.262 254 HH TYR 36 HH TYR 36 -4.215 -3.829 -12.634 255 H ALA 37 HN ALA 37 -0.396 -7.379 -7.793 256 HA ALA 37 HA ALA 37 1.861 -8.061 -7.839 257 1HB ALA 37 HB1 ALA 37 1.893 -5.491 -8.169 258 2HB ALA 37 HB2 ALA 37 3.403 -6.271 -7.694 259 3HB ALA 37 HB3 ALA 37 2.432 -5.422 -6.491 260 H MET 38 HN MET 38 0.266 -8.787 -5.502 261 HA MET 38 HA MET 38 0.693 -9.887 -3.448 262 1HB MET 38 HB2 MET 38 2.861 -10.304 -4.844 263 2HB MET 38 HB1 MET 38 3.579 -9.087 -3.788 264 1HG MET 38 HG2 MET 38 3.978 -11.281 -2.823 265 2HG MET 38 HG1 MET 38 2.814 -10.424 -1.812 266 1HE MET 38 HE1 MET 38 -0.296 -12.211 -1.829 267 2HE MET 38 HE2 MET 38 0.602 -10.716 -1.575 268 3HE MET 38 HE3 MET 38 1.089 -12.184 -0.730 269 H SER 39 HN SER 39 0.948 -6.645 -3.978 270 HA SER 39 HA SER 39 1.484 -6.097 -1.076 271 1HB SER 39 HB2 SER 39 2.021 -4.166 -3.328 272 2HB SER 39 HB1 SER 39 2.728 -4.195 -1.715 273 HG SER 39 HG SER 39 4.273 -5.240 -2.696 274 H CYS 40 HN CYS 40 0.276 -4.231 -0.228 275 HA CYS 40 HA CYS 40 -2.430 -4.051 -1.373 276 1HB CYS 40 HB2 CYS 40 -1.810 -4.275 1.084 277 2HB CYS 40 HB1 CYS 40 -1.215 -2.616 1.006 278 H TYR 41 HN TYR 41 -3.408 -1.989 -1.954 279 HA TYR 41 HA TYR 41 -1.578 0.319 -2.342 280 1HB TYR 41 HB2 TYR 41 -1.503 -1.323 -4.305 281 2HB TYR 41 HB1 TYR 41 -3.182 -0.877 -4.614 282 HD1 TYR 41 HD1 TYR 41 -3.521 0.793 -6.191 283 HD2 TYR 41 HD2 TYR 41 0.053 0.861 -3.815 284 HE1 TYR 41 HE1 TYR 41 -2.761 2.828 -7.390 285 HE2 TYR 41 HE2 TYR 41 0.816 2.892 -5.014 286 HH TYR 41 HH TYR 41 0.389 4.326 -6.653 287 H CYS 42 HN CYS 42 -2.704 2.248 -2.143 288 HA CYS 42 HA CYS 42 -5.700 2.078 -2.101 289 1HB CYS 42 HB2 CYS 42 -3.888 3.885 -0.475 290 2HB CYS 42 HB1 CYS 42 -5.622 3.656 -0.264 291 H GLU 43 HN GLU 43 -6.814 3.812 -3.090 292 HA GLU 43 HA GLU 43 -5.106 5.712 -4.663 293 1HB GLU 43 HB2 GLU 43 -6.281 4.067 -6.030 294 2HB GLU 43 HB1 GLU 43 -7.804 4.439 -5.222 295 1HG GLU 43 HG2 GLU 43 -7.458 6.852 -6.030 296 2HG GLU 43 HG1 GLU 43 -6.208 6.198 -7.089 297 H GLY 44 HN GLY 44 -5.177 7.571 -3.392 298 1HA GLY 44 HA2 GLY 44 -6.726 9.608 -3.295 299 2HA GLY 44 HA1 GLY 44 -7.877 8.518 -2.521 300 H LEU 45 HN LEU 45 -4.936 7.489 -1.498 301 HA LEU 45 HA LEU 45 -5.142 8.031 1.195 302 1HB LEU 45 HB2 LEU 45 -2.879 7.698 -0.742 303 2HB LEU 45 HB1 LEU 45 -2.496 8.088 0.935 304 HG LEU 45 HG LEU 45 -4.315 5.805 0.124 305 1HD1 LEU 45 HD11 LEU 45 -2.306 4.989 -0.669 306 2HD1 LEU 45 HD12 LEU 45 -2.133 4.554 1.032 307 3HD1 LEU 45 HD13 LEU 45 -1.350 6.006 0.408 308 1HD2 LEU 45 HD21 LEU 45 -3.812 5.071 2.468 309 2HD2 LEU 45 HD22 LEU 45 -4.673 6.608 2.401 310 3HD2 LEU 45 HD23 LEU 45 -2.938 6.582 2.717 311 HA PRO 46 HA PRO 46 -4.378 12.283 1.930 312 1HB PRO 46 HB2 PRO 46 -2.599 12.264 4.014 313 2HB PRO 46 HB1 PRO 46 -4.309 11.828 4.195 314 1HG PRO 46 HG2 PRO 46 -1.925 10.063 3.952 315 2HG PRO 46 HG1 PRO 46 -3.358 9.888 4.978 316 1HD PRO 46 HD2 PRO 46 -3.004 8.498 2.668 317 2HD PRO 46 HD1 PRO 46 -4.604 8.937 3.302 318 H GLU 47 HN GLU 47 -2.880 13.984 1.480 319 HA GLU 47 HA GLU 47 -0.885 13.534 -0.456 320 1HB GLU 47 HB2 GLU 47 -2.076 15.667 0.159 321 2HB GLU 47 HB1 GLU 47 -1.034 15.779 1.578 322 1HG GLU 47 HG2 GLU 47 0.732 15.310 -0.536 323 2HG GLU 47 HG1 GLU 47 -0.444 16.449 -1.193 324 H ASN 48 HN ASN 48 -0.706 13.111 2.985 325 HA ASN 48 HA ASN 48 2.272 12.818 2.768 326 1HB ASN 48 HB2 ASN 48 2.372 13.626 5.045 327 2HB ASN 48 HB1 ASN 48 1.347 14.734 4.132 328 1HD2 ASN 48 HD21 ASN 48 1.435 12.616 6.857 329 2HD2 ASN 48 HD22 ASN 48 -0.214 12.701 7.252 330 H ALA 49 HN ALA 49 0.202 10.714 2.301 331 HA ALA 49 HA ALA 49 -0.085 9.020 4.595 332 1HB ALA 49 HB1 ALA 49 0.198 7.926 1.820 333 2HB ALA 49 HB2 ALA 49 -1.106 9.073 2.130 334 3HB ALA 49 HB3 ALA 49 -1.021 7.566 3.042 335 H LYS 50 HN LYS 50 1.119 7.036 5.050 336 HA LYS 50 HA LYS 50 4.019 7.324 4.460 337 1HB LYS 50 HB2 LYS 50 3.026 7.027 6.780 338 2HB LYS 50 HB1 LYS 50 2.566 5.394 6.296 339 1HG LYS 50 HG2 LYS 50 4.626 4.741 6.945 340 2HG LYS 50 HG1 LYS 50 5.245 5.602 5.536 341 1HD LYS 50 HD2 LYS 50 5.857 7.470 6.772 342 2HD LYS 50 HD1 LYS 50 4.659 7.158 8.028 343 1HE LYS 50 HE2 LYS 50 5.969 5.352 8.948 344 2HE LYS 50 HE1 LYS 50 7.087 5.393 7.570 345 1HZ LYS 50 HZ1 LYS 50 7.683 6.694 9.717 346 2HZ LYS 50 HZ2 LYS 50 6.585 7.845 9.120 347 3HZ LYS 50 HZ3 LYS 50 7.951 7.414 8.205 348 H VAL 51 HN VAL 51 3.572 6.602 2.151 349 HA VAL 51 HA VAL 51 3.342 3.614 2.005 350 HB VAL 51 HB VAL 51 2.345 4.099 -0.264 351 1HG1 VAL 51 HG11 VAL 51 1.043 5.268 2.206 352 2HG1 VAL 51 HG12 VAL 51 0.848 3.636 1.565 353 3HG1 VAL 51 HG13 VAL 51 0.192 5.013 0.683 354 1HG2 VAL 51 HG21 VAL 51 1.695 6.865 0.447 355 2HG2 VAL 51 HG22 VAL 51 2.264 6.205 -1.086 356 3HG2 VAL 51 HG23 VAL 51 3.421 6.619 0.179 357 H SER 52 HN SER 52 4.348 2.817 -0.148 358 HA SER 52 HA SER 52 7.125 3.706 -0.264 359 1HB SER 52 HB2 SER 52 6.362 1.348 -0.457 360 2HB SER 52 HB1 SER 52 5.513 1.754 -1.945 361 HG SER 52 HG SER 52 8.222 1.430 -1.445 362 H ASP 53 HN ASP 53 8.132 4.748 -2.055 363 HA ASP 53 HA ASP 53 6.238 6.099 -3.948 364 1HB ASP 53 HB2 ASP 53 8.016 7.837 -4.017 365 2HB ASP 53 HB1 ASP 53 7.462 7.543 -2.368 366 H SER 54 HN SER 54 7.961 3.431 -4.032 367 HA SER 54 HA SER 54 9.093 3.970 -6.757 368 1HB SER 54 HB2 SER 54 10.706 2.052 -5.936 369 2HB SER 54 HB1 SER 54 10.977 3.706 -5.400 370 HG SER 54 HG SER 54 10.849 2.804 -3.494 371 H ALA 55 HN ALA 55 7.744 2.890 -8.157 372 HA ALA 55 HA ALA 55 6.341 0.435 -7.291 373 1HB ALA 55 HB1 ALA 55 5.959 2.600 -9.122 374 2HB ALA 55 HB2 ALA 55 4.824 1.313 -8.713 375 3HB ALA 55 HB3 ALA 55 5.956 1.100 -10.049 376 H THR 56 HN THR 56 9.385 0.732 -7.992 377 HA THR 56 HA THR 56 9.513 -1.811 -9.522 378 HB THR 56 HB THR 56 11.133 -0.747 -11.106 379 HG1 THR 56 HG1 THR 56 11.868 0.993 -10.042 380 1HG2 THR 56 HG21 THR 56 9.474 0.332 -12.457 381 2HG2 THR 56 HG22 THR 56 8.515 0.765 -11.042 382 3HG2 THR 56 HG23 THR 56 8.635 -0.921 -11.543 383 H ASN 57 HN ASN 57 10.100 -1.716 -6.888 384 HA ASN 57 HA ASN 57 13.004 -2.196 -6.832 385 1HB ASN 57 HB2 ASN 57 13.441 -0.478 -5.163 386 2HB ASN 57 HB1 ASN 57 12.648 0.283 -6.544 387 1HD2 ASN 57 HD21 ASN 57 12.624 0.698 -3.390 388 2HD2 ASN 57 HD22 ASN 57 10.972 0.924 -3.072 389 H ILE 58 HN ILE 58 13.333 -3.905 -5.453 390 HA ILE 58 HA ILE 58 11.132 -4.633 -3.575 391 HB ILE 58 HB ILE 58 12.131 -6.144 -5.423 392 1HG1 ILE 58 HG12 ILE 58 12.338 -8.065 -3.538 393 2HG1 ILE 58 HG11 ILE 58 11.581 -6.797 -2.573 394 1HG2 ILE 58 HG21 ILE 58 14.283 -6.585 -3.347 395 2HG2 ILE 58 HG22 ILE 58 14.513 -5.515 -4.730 396 3HG2 ILE 58 HG23 ILE 58 14.205 -7.233 -4.985 397 1HD1 ILE 58 HD11 ILE 58 9.598 -7.262 -3.525 398 2HD1 ILE 58 HD12 ILE 58 10.358 -8.513 -4.510 399 3HD1 ILE 58 HD13 ILE 58 10.269 -6.855 -5.105 400 H CYS 59 HN CYS 59 11.460 -3.876 -1.516 401 HA CYS 59 HA CYS 59 14.134 -3.173 -0.548 402 1HB CYS 59 HB2 CYS 59 12.847 -2.454 1.430 403 2HB CYS 59 HB1 CYS 59 12.073 -1.888 -0.049 404 H GLY 60 HN GLY 60 15.327 -4.301 1.011 405 1HA GLY 60 HA2 GLY 60 15.170 -7.101 1.173 406 2HA GLY 60 HA1 GLY 60 15.983 -6.097 2.376 Start of MODEL 8 1 1H LYS 1 HT1 LYS 1 -4.850 10.103 -3.938 2 2H LYS 1 HT2 LYS 1 -4.000 11.569 -4.075 3 3H LYS 1 HT3 LYS 1 -3.567 10.440 -2.882 4 HA LYS 1 HA LYS 1 -3.245 10.134 -5.824 5 1HB LYS 1 HB2 LYS 1 -0.883 10.227 -5.222 6 2HB LYS 1 HB1 LYS 1 -1.699 11.622 -4.515 7 1HG LYS 1 HG2 LYS 1 -1.654 10.714 -2.348 8 2HG LYS 1 HG1 LYS 1 -1.406 9.072 -2.939 9 1HD LYS 1 HD2 LYS 1 0.820 10.127 -3.929 10 2HD LYS 1 HD1 LYS 1 0.573 11.293 -2.629 11 1HE LYS 1 HE2 LYS 1 0.111 8.654 -1.580 12 2HE LYS 1 HE1 LYS 1 1.683 8.682 -2.404 13 1HZ LYS 1 HZ1 LYS 1 2.346 10.577 -1.188 14 2HZ LYS 1 HZ2 LYS 1 1.698 9.507 -0.038 15 3HZ LYS 1 HZ3 LYS 1 0.787 10.840 -0.575 16 H ASP 2 HN ASP 2 -1.995 8.095 -6.305 17 HA ASP 2 HA ASP 2 -2.971 5.854 -4.585 18 1HB ASP 2 HB2 ASP 2 -1.797 5.734 -7.374 19 2HB ASP 2 HB1 ASP 2 -2.857 4.560 -6.594 20 H GLY 3 HN GLY 3 -1.434 4.093 -4.117 21 1HA GLY 3 HA2 GLY 3 1.257 3.940 -4.803 22 2HA GLY 3 HA1 GLY 3 1.219 5.093 -3.471 23 H TYR 4 HN TYR 4 2.626 3.091 -2.722 24 HA TYR 4 HA TYR 4 0.889 0.991 -1.498 25 1HB TYR 4 HB2 TYR 4 3.895 1.244 -1.848 26 2HB TYR 4 HB1 TYR 4 3.058 -0.177 -1.224 27 HD1 TYR 4 HD1 TYR 4 2.248 -1.824 -2.700 28 HD2 TYR 4 HD2 TYR 4 3.218 2.084 -4.200 29 HE1 TYR 4 HE1 TYR 4 1.886 -2.623 -5.019 30 HE2 TYR 4 HE2 TYR 4 2.855 1.282 -6.519 31 HH TYR 4 HH TYR 4 1.364 -1.724 -7.210 32 HA PRO 5 HA PRO 5 1.465 3.293 2.290 33 1HB PRO 5 HB2 PRO 5 0.001 1.614 3.873 34 2HB PRO 5 HB1 PRO 5 -0.736 2.801 2.778 35 1HG PRO 5 HG2 PRO 5 -0.388 -0.129 2.432 36 2HG PRO 5 HG1 PRO 5 -1.730 0.915 1.942 37 1HD PRO 5 HD2 PRO 5 0.202 -0.006 0.230 38 2HD PRO 5 HD1 PRO 5 -0.735 1.481 -0.032 39 H VAL 6 HN VAL 6 2.976 3.068 3.951 40 HA VAL 6 HA VAL 6 4.287 0.382 4.221 41 HB VAL 6 HB VAL 6 6.303 1.737 4.796 42 1HG1 VAL 6 HG11 VAL 6 5.322 2.924 2.243 43 2HG1 VAL 6 HG12 VAL 6 5.362 1.165 2.354 44 3HG1 VAL 6 HG13 VAL 6 6.842 2.096 2.588 45 1HG2 VAL 6 HG21 VAL 6 5.263 4.249 3.762 46 2HG2 VAL 6 HG22 VAL 6 6.147 3.941 5.256 47 3HG2 VAL 6 HG23 VAL 6 4.394 3.748 5.213 48 H ASP 7 HN ASP 7 5.502 0.307 6.444 49 HA ASP 7 HA ASP 7 3.517 1.033 8.556 50 1HB ASP 7 HB2 ASP 7 4.564 -0.769 9.789 51 2HB ASP 7 HB1 ASP 7 4.320 -1.339 8.136 52 H SER 8 HN SER 8 4.831 1.347 10.791 53 HA SER 8 HA SER 8 6.079 3.859 10.784 54 1HB SER 8 HB2 SER 8 6.910 3.123 13.031 55 2HB SER 8 HB1 SER 8 5.214 2.726 12.772 56 HG SER 8 HG SER 8 7.424 0.982 12.361 57 H LYS 9 HN LYS 9 7.419 0.766 9.912 58 HA LYS 9 HA LYS 9 10.222 1.567 10.234 59 1HB LYS 9 HB2 LYS 9 8.960 -0.783 10.250 60 2HB LYS 9 HB1 LYS 9 9.302 -0.712 8.522 61 1HG LYS 9 HG2 LYS 9 11.136 -1.853 9.662 62 2HG LYS 9 HG1 LYS 9 11.705 -0.299 9.048 63 1HD LYS 9 HD2 LYS 9 10.729 0.339 11.564 64 2HD LYS 9 HD1 LYS 9 11.482 -1.236 11.814 65 1HE LYS 9 HE2 LYS 9 13.214 0.315 10.135 66 2HE LYS 9 HE1 LYS 9 12.792 1.283 11.562 67 1HZ LYS 9 HZ1 LYS 9 13.384 -1.573 11.900 68 2HZ LYS 9 HZ2 LYS 9 13.596 -0.292 12.996 69 3HZ LYS 9 HZ3 LYS 9 14.681 -0.498 11.704 70 H GLY 10 HN GLY 10 7.949 1.120 7.521 71 1HA GLY 10 HA2 GLY 10 8.165 2.909 5.726 72 2HA GLY 10 HA1 GLY 10 9.897 2.572 5.774 73 H CYS 11 HN CYS 11 8.345 -0.312 6.302 74 HA CYS 11 HA CYS 11 8.956 -1.255 3.588 75 1HB CYS 11 HB2 CYS 11 7.747 -2.633 6.010 76 2HB CYS 11 HB1 CYS 11 8.449 -3.435 4.604 77 H LYS 12 HN LYS 12 7.412 -1.981 2.083 78 HA LYS 12 HA LYS 12 4.888 -0.725 1.918 79 1HB LYS 12 HB2 LYS 12 5.986 -3.306 0.761 80 2HB LYS 12 HB1 LYS 12 4.488 -2.555 0.209 81 1HG LYS 12 HG2 LYS 12 6.095 -0.412 0.050 82 2HG LYS 12 HG1 LYS 12 7.308 -1.672 -0.181 83 1HD LYS 12 HD2 LYS 12 5.141 -2.473 -1.769 84 2HD LYS 12 HD1 LYS 12 5.272 -0.733 -2.029 85 1HE LYS 12 HE2 LYS 12 6.858 -1.378 -3.569 86 2HE LYS 12 HE1 LYS 12 7.906 -1.451 -2.139 87 1HZ LYS 12 HZ1 LYS 12 6.232 -3.696 -3.134 88 2HZ LYS 12 HZ2 LYS 12 7.304 -3.747 -1.819 89 3HZ LYS 12 HZ3 LYS 12 7.902 -3.551 -3.396 90 H LEU 13 HN LEU 13 2.738 -1.568 2.297 91 HA LEU 13 HA LEU 13 2.516 -3.265 4.672 92 1HB LEU 13 HB2 LEU 13 1.061 -1.331 4.300 93 2HB LEU 13 HB1 LEU 13 0.508 -2.009 2.768 94 HG LEU 13 HG LEU 13 -0.317 -4.020 4.089 95 1HD1 LEU 13 HD11 LEU 13 0.155 -4.151 6.286 96 2HD1 LEU 13 HD12 LEU 13 -0.657 -2.611 6.568 97 3HD1 LEU 13 HD13 LEU 13 1.059 -2.642 6.165 98 1HD2 LEU 13 HD21 LEU 13 -1.590 -1.414 4.952 99 2HD2 LEU 13 HD22 LEU 13 -2.386 -2.955 4.638 100 3HD2 LEU 13 HD23 LEU 13 -1.715 -2.020 3.301 101 H SER 14 HN SER 14 3.384 -5.291 3.867 102 HA SER 14 HA SER 14 2.932 -6.763 1.622 103 1HB SER 14 HB2 SER 14 2.421 -8.054 4.285 104 2HB SER 14 HB1 SER 14 3.421 -8.621 2.950 105 HG SER 14 HG SER 14 4.055 -7.029 5.062 106 H CYS 15 HN CYS 15 1.209 -7.711 0.573 107 HA CYS 15 HA CYS 15 -1.441 -7.711 1.982 108 1HB CYS 15 HB2 CYS 15 -2.421 -6.985 -0.097 109 2HB CYS 15 HB1 CYS 15 -1.023 -5.948 0.190 110 H VAL 16 HN VAL 16 -2.557 -9.649 1.872 111 HA VAL 16 HA VAL 16 -1.427 -11.781 0.086 112 HB VAL 16 HB VAL 16 -1.101 -11.838 2.664 113 1HG1 VAL 16 HG11 VAL 16 -3.881 -12.989 2.650 114 2HG1 VAL 16 HG12 VAL 16 -3.642 -11.263 2.915 115 3HG1 VAL 16 HG13 VAL 16 -2.918 -12.432 4.019 116 1HG2 VAL 16 HG21 VAL 16 -1.676 -14.339 2.669 117 2HG2 VAL 16 HG22 VAL 16 -0.580 -13.789 1.401 118 3HG2 VAL 16 HG23 VAL 16 -2.277 -14.093 1.029 119 H ALA 17 HN ALA 17 -4.039 -9.795 0.529 120 HA ALA 17 HA ALA 17 -5.787 -11.505 -1.105 121 1HB ALA 17 HB1 ALA 17 -7.554 -11.636 0.558 122 2HB ALA 17 HB2 ALA 17 -6.641 -10.613 1.667 123 3HB ALA 17 HB3 ALA 17 -6.070 -12.239 1.294 124 H ASN 18 HN ASN 18 -7.862 -10.268 -1.620 125 HA ASN 18 HA ASN 18 -7.210 -7.430 -2.097 126 1HB ASN 18 HB2 ASN 18 -9.207 -9.473 -2.986 127 2HB ASN 18 HB1 ASN 18 -9.632 -7.771 -3.178 128 1HD2 ASN 18 HD21 ASN 18 -8.966 -9.751 -5.330 129 2HD2 ASN 18 HD22 ASN 18 -7.636 -9.095 -6.158 130 H ASN 19 HN ASN 19 -9.504 -9.357 -0.202 131 HA ASN 19 HA ASN 19 -11.269 -7.308 0.652 132 1HB ASN 19 HB2 ASN 19 -11.602 -8.894 2.592 133 2HB ASN 19 HB1 ASN 19 -11.692 -9.669 1.010 134 1HD2 ASN 19 HD21 ASN 19 -10.907 -10.928 3.604 135 2HD2 ASN 19 HD22 ASN 19 -9.339 -11.534 3.369 136 H TYR 20 HN TYR 20 -8.192 -8.425 2.078 137 HA TYR 20 HA TYR 20 -8.212 -6.749 4.385 138 1HB TYR 20 HB2 TYR 20 -6.688 -8.568 4.256 139 2HB TYR 20 HB1 TYR 20 -6.089 -8.057 2.677 140 HD1 TYR 20 HD1 TYR 20 -6.567 -6.402 6.018 141 HD2 TYR 20 HD2 TYR 20 -3.914 -7.244 2.747 142 HE1 TYR 20 HE1 TYR 20 -4.786 -5.075 7.120 143 HE2 TYR 20 HE2 TYR 20 -2.132 -5.917 3.850 144 HH TYR 20 HH TYR 20 -2.773 -4.058 6.774 145 H CYS 21 HN CYS 21 -6.723 -6.223 1.166 146 HA CYS 21 HA CYS 21 -5.731 -3.584 1.757 147 1HB CYS 21 HB2 CYS 21 -6.246 -5.297 -0.650 148 2HB CYS 21 HB1 CYS 21 -5.866 -3.592 -0.896 149 H ASP 22 HN ASP 22 -8.740 -4.777 0.270 150 HA ASP 22 HA ASP 22 -9.846 -2.346 -0.630 151 1HB ASP 22 HB2 ASP 22 -10.751 -4.609 -1.023 152 2HB ASP 22 HB1 ASP 22 -11.170 -4.740 0.686 153 H ASN 23 HN ASN 23 -10.432 -3.909 2.546 154 HA ASN 23 HA ASN 23 -11.852 -1.697 3.686 155 1HB ASN 23 HB2 ASN 23 -11.494 -4.257 4.319 156 2HB ASN 23 HB1 ASN 23 -10.210 -3.593 5.330 157 1HD2 ASN 23 HD21 ASN 23 -13.199 -4.646 5.772 158 2HD2 ASN 23 HD22 ASN 23 -13.816 -3.495 6.856 159 H GLN 24 HN GLN 24 -8.422 -2.690 3.952 160 HA GLN 24 HA GLN 24 -7.531 -0.683 5.741 161 1HB GLN 24 HB2 GLN 24 -6.337 -2.736 4.842 162 2HB GLN 24 HB1 GLN 24 -6.038 -1.824 3.362 163 1HG GLN 24 HG2 GLN 24 -4.157 -1.774 5.080 164 2HG GLN 24 HG1 GLN 24 -4.716 -0.199 4.519 165 1HE2 GLN 24 HE21 GLN 24 -6.476 -2.272 6.836 166 2HE2 GLN 24 HE22 GLN 24 -6.328 -1.206 8.150 167 H CYS 25 HN CYS 25 -6.923 -0.598 2.208 168 HA CYS 25 HA CYS 25 -6.160 2.049 1.917 169 1HB CYS 25 HB2 CYS 25 -8.021 0.404 0.170 170 2HB CYS 25 HB1 CYS 25 -7.139 1.833 -0.369 171 H LYS 26 HN LYS 26 -9.540 0.881 1.698 172 HA LYS 26 HA LYS 26 -10.920 3.271 1.414 173 1HB LYS 26 HB2 LYS 26 -11.723 0.840 1.629 174 2HB LYS 26 HB1 LYS 26 -11.691 1.096 3.373 175 1HG LYS 26 HG2 LYS 26 -13.438 2.625 3.323 176 2HG LYS 26 HG1 LYS 26 -13.112 3.097 1.655 177 1HD LYS 26 HD2 LYS 26 -14.010 0.292 2.273 178 2HD LYS 26 HD1 LYS 26 -15.196 1.595 2.163 179 1HE LYS 26 HE2 LYS 26 -14.905 1.847 -0.110 180 2HE LYS 26 HE1 LYS 26 -13.182 1.422 -0.038 181 1HZ LYS 26 HZ1 LYS 26 -13.663 -0.831 0.171 182 2HZ LYS 26 HZ2 LYS 26 -14.788 -0.308 -0.990 183 3HZ LYS 26 HZ3 LYS 26 -15.277 -0.556 0.618 184 H MET 27 HN MET 27 -9.944 1.812 4.541 185 HA MET 27 HA MET 27 -10.830 3.892 6.242 186 1HB MET 27 HB2 MET 27 -8.548 1.904 6.364 187 2HB MET 27 HB1 MET 27 -8.971 2.940 7.728 188 1HG MET 27 HG2 MET 27 -11.426 1.947 7.028 189 2HG MET 27 HG1 MET 27 -10.378 0.578 6.654 190 1HE MET 27 HE1 MET 27 -11.494 -0.914 8.369 191 2HE MET 27 HE2 MET 27 -10.526 -1.144 9.823 192 3HE MET 27 HE3 MET 27 -9.739 -1.096 8.248 193 H LYS 28 HN LYS 28 -8.062 3.756 4.098 194 HA LYS 28 HA LYS 28 -6.874 6.169 5.382 195 1HB LYS 28 HB2 LYS 28 -5.984 4.118 3.354 196 2HB LYS 28 HB1 LYS 28 -5.070 5.606 3.611 197 1HG LYS 28 HG2 LYS 28 -4.615 5.074 5.873 198 2HG LYS 28 HG1 LYS 28 -5.869 3.834 5.918 199 1HD LYS 28 HD2 LYS 28 -3.706 2.741 5.778 200 2HD LYS 28 HD1 LYS 28 -4.550 2.517 4.245 201 1HE LYS 28 HE2 LYS 28 -2.257 3.167 3.755 202 2HE LYS 28 HE1 LYS 28 -3.300 4.551 3.373 203 1HZ LYS 28 HZ1 LYS 28 -2.418 4.329 6.134 204 2HZ LYS 28 HZ2 LYS 28 -2.587 5.708 5.157 205 3HZ LYS 28 HZ3 LYS 28 -1.209 4.724 5.013 206 H LYS 29 HN LYS 29 -9.385 6.500 4.004 207 HA LYS 29 HA LYS 29 -10.360 7.971 2.437 208 1HB LYS 29 HB2 LYS 29 -8.726 9.462 3.545 209 2HB LYS 29 HB1 LYS 29 -7.495 8.969 2.382 210 1HG LYS 29 HG2 LYS 29 -8.541 10.068 0.603 211 2HG LYS 29 HG1 LYS 29 -10.113 10.073 1.403 212 1HD LYS 29 HD2 LYS 29 -9.693 12.064 2.370 213 2HD LYS 29 HD1 LYS 29 -8.145 11.491 2.993 214 1HE LYS 29 HE2 LYS 29 -6.957 12.357 1.214 215 2HE LYS 29 HE1 LYS 29 -8.284 12.086 0.066 216 1HZ LYS 29 HZ1 LYS 29 -8.661 13.969 2.291 217 2HZ LYS 29 HZ2 LYS 29 -9.399 13.951 0.761 218 3HZ LYS 29 HZ3 LYS 29 -7.793 14.480 0.927 219 H ALA 30 HN ALA 30 -8.745 5.428 1.528 220 HA ALA 30 HA ALA 30 -8.207 6.260 -1.289 221 1HB ALA 30 HB1 ALA 30 -6.427 4.942 -0.776 222 2HB ALA 30 HB2 ALA 30 -7.538 3.595 -1.024 223 3HB ALA 30 HB3 ALA 30 -7.254 4.216 0.601 224 H SER 31 HN SER 31 -9.150 4.942 -3.027 225 HA SER 31 HA SER 31 -11.762 3.693 -2.231 226 1HB SER 31 HB2 SER 31 -11.052 4.923 -4.900 227 2HB SER 31 HB1 SER 31 -12.655 4.617 -4.238 228 HG SER 31 HG SER 31 -11.665 6.110 -2.465 229 H GLY 32 HN GLY 32 -8.917 3.450 -4.330 230 1HA GLY 32 HA2 GLY 32 -9.843 0.795 -5.304 231 2HA GLY 32 HA1 GLY 32 -8.485 1.712 -5.963 232 H GLY 33 HN GLY 33 -9.521 -0.250 -3.203 233 1HA GLY 33 HA2 GLY 33 -6.658 -0.516 -2.401 234 2HA GLY 33 HA1 GLY 33 -8.031 -0.849 -1.346 235 H HIS 34 HN HIS 34 -5.655 -2.367 -2.979 236 HA HIS 34 HA HIS 34 -7.053 -4.946 -2.883 237 1HB HIS 34 HB2 HIS 34 -7.118 -5.354 -5.190 238 2HB HIS 34 HB1 HIS 34 -7.502 -3.637 -5.125 239 HD1 HIS 34 HD1 HIS 34 -5.588 -1.958 -5.800 240 HD2 HIS 34 HD2 HIS 34 -4.647 -5.975 -6.403 241 HE1 HIS 34 HE1 HIS 34 -3.538 -1.999 -7.287 242 H CYS 35 HN CYS 35 -5.433 -6.742 -3.525 243 HA CYS 35 HA CYS 35 -2.759 -5.971 -2.470 244 1HB CYS 35 HB2 CYS 35 -3.860 -7.787 -1.349 245 2HB CYS 35 HB1 CYS 35 -4.245 -8.578 -2.878 246 H TYR 36 HN TYR 36 -0.928 -6.071 -3.733 247 HA TYR 36 HA TYR 36 -0.939 -7.570 -6.284 248 1HB TYR 36 HB2 TYR 36 -1.763 -4.925 -6.186 249 2HB TYR 36 HB1 TYR 36 -0.059 -4.788 -6.622 250 HD1 TYR 36 HD1 TYR 36 0.250 -4.596 -8.917 251 HD2 TYR 36 HD2 TYR 36 -2.806 -7.220 -7.428 252 HE1 TYR 36 HE1 TYR 36 -0.284 -5.288 -11.237 253 HE2 TYR 36 HE2 TYR 36 -3.343 -7.914 -9.748 254 HH TYR 36 HH TYR 36 -1.410 -7.554 -12.266 255 H ALA 37 HN ALA 37 1.125 -8.340 -6.667 256 HA ALA 37 HA ALA 37 3.446 -8.677 -6.370 257 1HB ALA 37 HB1 ALA 37 3.003 -5.711 -6.074 258 2HB ALA 37 HB2 ALA 37 3.762 -6.586 -7.402 259 3HB ALA 37 HB3 ALA 37 4.620 -6.385 -5.874 260 H MET 38 HN MET 38 1.856 -9.345 -4.129 261 HA MET 38 HA MET 38 2.027 -9.741 -1.805 262 1HB MET 38 HB2 MET 38 4.903 -9.001 -2.431 263 2HB MET 38 HB1 MET 38 4.355 -9.943 -1.044 264 1HG MET 38 HG2 MET 38 3.301 -11.074 -3.483 265 2HG MET 38 HG1 MET 38 5.055 -10.922 -3.596 266 1HE MET 38 HE1 MET 38 6.277 -13.079 -3.171 267 2HE MET 38 HE2 MET 38 4.745 -13.484 -3.941 268 3HE MET 38 HE3 MET 38 5.341 -14.471 -2.610 269 H SER 39 HN SER 39 1.875 -6.796 -2.971 270 HA SER 39 HA SER 39 2.405 -5.499 -0.324 271 1HB SER 39 HB2 SER 39 2.856 -4.195 -3.014 272 2HB SER 39 HB1 SER 39 3.446 -3.668 -1.442 273 HG SER 39 HG SER 39 5.127 -4.855 -1.816 274 H CYS 40 HN CYS 40 0.733 -4.179 0.360 275 HA CYS 40 HA CYS 40 -1.805 -4.267 -1.034 276 1HB CYS 40 HB2 CYS 40 -1.204 -4.117 1.489 277 2HB CYS 40 HB1 CYS 40 -1.042 -2.385 1.196 278 H TYR 41 HN TYR 41 -2.785 -2.660 -2.265 279 HA TYR 41 HA TYR 41 -1.242 -0.126 -2.707 280 1HB TYR 41 HB2 TYR 41 -0.987 -1.890 -4.498 281 2HB TYR 41 HB1 TYR 41 -2.724 -1.768 -4.783 282 HD1 TYR 41 HD1 TYR 41 -3.659 0.056 -6.018 283 HD2 TYR 41 HD2 TYR 41 0.467 0.129 -4.834 284 HE1 TYR 41 HE1 TYR 41 -3.277 2.028 -7.473 285 HE2 TYR 41 HE2 TYR 41 0.852 2.100 -6.290 286 HH TYR 41 HH TYR 41 -0.546 2.979 -8.593 287 H CYS 42 HN CYS 42 -2.531 1.726 -2.789 288 HA CYS 42 HA CYS 42 -5.503 1.320 -2.734 289 1HB CYS 42 HB2 CYS 42 -3.948 3.386 -1.161 290 2HB CYS 42 HB1 CYS 42 -5.631 2.911 -0.943 291 H GLU 43 HN GLU 43 -6.689 2.854 -3.910 292 HA GLU 43 HA GLU 43 -5.073 4.811 -5.511 293 1HB GLU 43 HB2 GLU 43 -6.394 2.802 -6.515 294 2HB GLU 43 HB1 GLU 43 -7.829 3.767 -6.167 295 1HG GLU 43 HG2 GLU 43 -6.932 5.618 -7.513 296 2HG GLU 43 HG1 GLU 43 -5.471 4.684 -7.839 297 H GLY 44 HN GLY 44 -5.257 6.723 -4.311 298 1HA GLY 44 HA2 GLY 44 -6.909 8.678 -4.330 299 2HA GLY 44 HA1 GLY 44 -8.025 7.559 -3.547 300 H LEU 45 HN LEU 45 -4.818 7.053 -2.550 301 HA LEU 45 HA LEU 45 -5.306 7.669 0.182 302 1HB LEU 45 HB2 LEU 45 -2.806 7.409 -1.508 303 2HB LEU 45 HB1 LEU 45 -2.759 7.551 0.250 304 HG LEU 45 HG LEU 45 -4.297 5.420 -1.260 305 1HD1 LEU 45 HD11 LEU 45 -2.024 4.874 -1.586 306 2HD1 LEU 45 HD12 LEU 45 -2.467 3.961 -0.144 307 3HD1 LEU 45 HD13 LEU 45 -1.562 5.467 0.009 308 1HD2 LEU 45 HD21 LEU 45 -3.919 6.148 1.624 309 2HD2 LEU 45 HD22 LEU 45 -4.088 4.445 1.197 310 3HD2 LEU 45 HD23 LEU 45 -5.371 5.587 0.795 311 HA PRO 46 HA PRO 46 -4.607 12.002 0.453 312 1HB PRO 46 HB2 PRO 46 -3.268 12.203 2.834 313 2HB PRO 46 HB1 PRO 46 -4.999 11.822 2.730 314 1HG PRO 46 HG2 PRO 46 -2.689 10.011 3.200 315 2HG PRO 46 HG1 PRO 46 -4.318 9.967 3.890 316 1HD PRO 46 HD2 PRO 46 -3.469 8.334 1.861 317 2HD PRO 46 HD1 PRO 46 -5.167 8.782 2.134 318 H GLU 47 HN GLU 47 -3.030 13.452 -0.274 319 HA GLU 47 HA GLU 47 -0.621 12.568 -1.436 320 1HB GLU 47 HB2 GLU 47 -1.887 14.709 -1.818 321 2HB GLU 47 HB1 GLU 47 -1.237 15.307 -0.291 322 1HG GLU 47 HG2 GLU 47 0.651 14.217 -2.351 323 2HG GLU 47 HG1 GLU 47 0.013 15.850 -2.548 324 H ASN 48 HN ASN 48 -1.270 13.519 1.892 325 HA ASN 48 HA ASN 48 1.596 13.698 2.556 326 1HB ASN 48 HB2 ASN 48 0.814 14.575 4.593 327 2HB ASN 48 HB1 ASN 48 -0.420 15.085 3.444 328 1HD2 ASN 48 HD21 ASN 48 -2.554 14.398 3.848 329 2HD2 ASN 48 HD22 ASN 48 -2.980 13.264 5.038 330 H ALA 49 HN ALA 49 -0.341 11.087 2.000 331 HA ALA 49 HA ALA 49 0.116 9.473 4.354 332 1HB ALA 49 HB1 ALA 49 -1.235 8.095 3.184 333 2HB ALA 49 HB2 ALA 49 -0.055 7.971 1.880 334 3HB ALA 49 HB3 ALA 49 -1.227 9.287 1.886 335 H LYS 50 HN LYS 50 1.697 7.808 4.624 336 HA LYS 50 HA LYS 50 4.275 8.382 3.261 337 1HB LYS 50 HB2 LYS 50 3.659 8.070 5.841 338 2HB LYS 50 HB1 LYS 50 3.918 6.370 5.450 339 1HG LYS 50 HG2 LYS 50 5.878 8.659 5.230 340 2HG LYS 50 HG1 LYS 50 6.046 7.163 6.147 341 1HD LYS 50 HD2 LYS 50 6.155 5.874 4.057 342 2HD LYS 50 HD1 LYS 50 5.944 7.355 3.123 343 1HE LYS 50 HE2 LYS 50 8.326 6.851 3.189 344 2HE LYS 50 HE1 LYS 50 8.045 8.246 4.250 345 1HZ LYS 50 HZ1 LYS 50 8.681 7.065 6.004 346 2HZ LYS 50 HZ2 LYS 50 9.110 5.786 4.972 347 3HZ LYS 50 HZ3 LYS 50 7.558 5.841 5.659 348 H VAL 51 HN VAL 51 4.239 7.279 1.279 349 HA VAL 51 HA VAL 51 3.751 4.321 1.425 350 HB VAL 51 HB VAL 51 2.924 4.648 -0.955 351 1HG1 VAL 51 HG11 VAL 51 1.596 5.891 1.445 352 2HG1 VAL 51 HG12 VAL 51 1.214 4.371 0.636 353 3HG1 VAL 51 HG13 VAL 51 0.797 5.906 -0.126 354 1HG2 VAL 51 HG21 VAL 51 2.766 7.567 -0.188 355 2HG2 VAL 51 HG22 VAL 51 2.515 6.839 -1.775 356 3HG2 VAL 51 HG23 VAL 51 4.138 6.924 -1.091 357 H SER 52 HN SER 52 4.865 3.164 -0.434 358 HA SER 52 HA SER 52 7.649 4.129 -0.673 359 1HB SER 52 HB2 SER 52 7.167 1.812 -0.046 360 2HB SER 52 HB1 SER 52 6.191 1.595 -1.496 361 HG SER 52 HG SER 52 8.630 1.000 -1.354 362 H ASP 53 HN ASP 53 8.578 4.769 -2.640 363 HA ASP 53 HA ASP 53 6.682 5.247 -4.890 364 1HB ASP 53 HB2 ASP 53 8.507 6.786 -5.623 365 2HB ASP 53 HB1 ASP 53 7.964 7.129 -3.979 366 H SER 54 HN SER 54 7.836 2.550 -4.332 367 HA SER 54 HA SER 54 8.919 2.042 -7.040 368 1HB SER 54 HB2 SER 54 11.029 1.344 -6.321 369 2HB SER 54 HB1 SER 54 10.716 2.660 -5.191 370 HG SER 54 HG SER 54 11.080 0.053 -4.697 371 H ALA 55 HN ALA 55 8.592 -0.155 -7.662 372 HA ALA 55 HA ALA 55 6.552 -1.608 -6.185 373 1HB ALA 55 HB1 ALA 55 6.696 -3.114 -8.067 374 2HB ALA 55 HB2 ALA 55 8.310 -2.532 -8.477 375 3HB ALA 55 HB3 ALA 55 6.910 -1.480 -8.696 376 H THR 56 HN THR 56 10.011 -1.560 -6.155 377 HA THR 56 HA THR 56 10.034 -4.062 -4.494 378 HB THR 56 HB THR 56 12.228 -2.946 -6.268 379 HG1 THR 56 HG1 THR 56 10.427 -3.615 -7.480 380 1HG2 THR 56 HG21 THR 56 12.524 -5.698 -5.921 381 2HG2 THR 56 HG22 THR 56 12.039 -5.113 -4.329 382 3HG2 THR 56 HG23 THR 56 13.466 -4.441 -5.119 383 H ASN 57 HN ASN 57 10.411 -3.463 -2.386 384 HA ASN 57 HA ASN 57 12.000 -0.993 -1.848 385 1HB ASN 57 HB2 ASN 57 10.844 -0.973 0.236 386 2HB ASN 57 HB1 ASN 57 9.639 -1.495 -0.939 387 1HD2 ASN 57 HD21 ASN 57 8.842 -3.672 -0.788 388 2HD2 ASN 57 HD22 ASN 57 9.269 -4.719 0.477 389 H ILE 58 HN ILE 58 13.432 -1.192 0.188 390 HA ILE 58 HA ILE 58 14.953 -3.764 0.040 391 HB ILE 58 HB ILE 58 15.772 -0.983 0.941 392 1HG1 ILE 58 HG12 ILE 58 17.147 -1.640 -1.385 393 2HG1 ILE 58 HG11 ILE 58 15.514 -2.231 -1.695 394 1HG2 ILE 58 HG21 ILE 58 17.151 -3.628 0.740 395 2HG2 ILE 58 HG22 ILE 58 17.349 -2.348 1.937 396 3HG2 ILE 58 HG23 ILE 58 18.072 -2.180 0.338 397 1HD1 ILE 58 HD11 ILE 58 15.889 0.501 -0.506 398 2HD1 ILE 58 HD12 ILE 58 14.561 -0.113 -1.492 399 3HD1 ILE 58 HD13 ILE 58 16.111 0.272 -2.240 400 H CYS 59 HN CYS 59 12.745 -3.930 1.658 401 HA CYS 59 HA CYS 59 13.410 -3.164 4.421 402 1HB CYS 59 HB2 CYS 59 11.109 -3.164 3.421 403 2HB CYS 59 HB1 CYS 59 11.210 -4.919 3.282 404 H GLY 60 HN GLY 60 14.576 -4.455 5.789 405 1HA GLY 60 HA2 GLY 60 14.457 -7.387 5.520 406 2HA GLY 60 HA1 GLY 60 16.045 -6.664 5.263 Start of MODEL 9 1 1H LYS 1 HT1 LYS 1 -4.613 9.997 -4.106 2 2H LYS 1 HT2 LYS 1 -4.426 11.301 -5.178 3 3H LYS 1 HT3 LYS 1 -3.543 11.258 -3.728 4 HA LYS 1 HA LYS 1 -2.839 10.186 -6.251 5 1HB LYS 1 HB2 LYS 1 -0.696 10.116 -5.136 6 2HB LYS 1 HB1 LYS 1 -1.551 11.533 -4.523 7 1HG LYS 1 HG2 LYS 1 -2.327 10.167 -2.577 8 2HG LYS 1 HG1 LYS 1 -1.337 8.831 -3.166 9 1HD LYS 1 HD2 LYS 1 0.505 10.822 -3.184 10 2HD LYS 1 HD1 LYS 1 -0.512 11.356 -1.844 11 1HE LYS 1 HE2 LYS 1 -0.320 9.009 -0.887 12 2HE LYS 1 HE1 LYS 1 0.916 8.693 -2.121 13 1HZ LYS 1 HZ1 LYS 1 2.361 10.145 -1.191 14 2HZ LYS 1 HZ2 LYS 1 1.497 9.776 0.225 15 3HZ LYS 1 HZ3 LYS 1 1.145 11.193 -0.644 16 H ASP 2 HN ASP 2 -1.748 8.035 -6.481 17 HA ASP 2 HA ASP 2 -3.062 5.925 -4.797 18 1HB ASP 2 HB2 ASP 2 -2.328 5.783 -7.736 19 2HB ASP 2 HB1 ASP 2 -3.327 4.645 -6.832 20 H GLY 3 HN GLY 3 -1.746 4.052 -4.369 21 1HA GLY 3 HA2 GLY 3 0.787 3.492 -5.481 22 2HA GLY 3 HA1 GLY 3 1.068 4.557 -4.104 23 H TYR 4 HN TYR 4 2.222 2.524 -3.354 24 HA TYR 4 HA TYR 4 0.364 0.461 -2.253 25 1HB TYR 4 HB2 TYR 4 3.391 0.594 -2.472 26 2HB TYR 4 HB1 TYR 4 2.463 -0.810 -1.947 27 HD1 TYR 4 HD1 TYR 4 1.467 -2.289 -3.516 28 HD2 TYR 4 HD2 TYR 4 3.052 1.483 -4.821 29 HE1 TYR 4 HE1 TYR 4 1.182 -2.987 -5.878 30 HE2 TYR 4 HE2 TYR 4 2.767 0.785 -7.184 31 HH TYR 4 HH TYR 4 2.383 -2.277 -8.160 32 HA PRO 5 HA PRO 5 0.865 2.484 1.662 33 1HB PRO 5 HB2 PRO 5 -0.390 0.592 3.184 34 2HB PRO 5 HB1 PRO 5 -1.270 1.747 2.163 35 1HG PRO 5 HG2 PRO 5 -0.631 -1.113 1.666 36 2HG PRO 5 HG1 PRO 5 -2.082 -0.190 1.249 37 1HD PRO 5 HD2 PRO 5 -0.099 -0.825 -0.536 38 2HD PRO 5 HD1 PRO 5 -1.192 0.566 -0.712 39 H VAL 6 HN VAL 6 2.445 2.328 3.267 40 HA VAL 6 HA VAL 6 3.940 -0.271 3.446 41 HB VAL 6 HB VAL 6 5.937 1.201 3.806 42 1HG1 VAL 6 HG11 VAL 6 4.320 1.013 1.352 43 2HG1 VAL 6 HG12 VAL 6 6.029 0.658 1.605 44 3HG1 VAL 6 HG13 VAL 6 5.504 2.320 1.338 45 1HG2 VAL 6 HG21 VAL 6 3.918 3.159 4.150 46 2HG2 VAL 6 HG22 VAL 6 4.790 3.596 2.681 47 3HG2 VAL 6 HG23 VAL 6 5.664 3.402 4.201 48 H ASP 7 HN ASP 7 5.224 -0.373 5.549 49 HA ASP 7 HA ASP 7 3.435 0.429 7.786 50 1HB ASP 7 HB2 ASP 7 4.943 -1.194 9.019 51 2HB ASP 7 HB1 ASP 7 4.088 -1.898 7.646 52 H SER 8 HN SER 8 4.856 0.911 9.899 53 HA SER 8 HA SER 8 6.035 3.450 9.665 54 1HB SER 8 HB2 SER 8 6.503 3.147 11.931 55 2HB SER 8 HB1 SER 8 5.285 1.900 11.677 56 HG SER 8 HG SER 8 7.680 1.548 12.587 57 H LYS 9 HN LYS 9 7.376 0.353 8.868 58 HA LYS 9 HA LYS 9 10.183 1.152 9.058 59 1HB LYS 9 HB2 LYS 9 8.927 -1.186 9.146 60 2HB LYS 9 HB1 LYS 9 9.148 -1.124 7.397 61 1HG LYS 9 HG2 LYS 9 11.080 -2.239 8.217 62 2HG LYS 9 HG1 LYS 9 11.611 -0.589 7.888 63 1HD LYS 9 HD2 LYS 9 11.245 -0.019 10.280 64 2HD LYS 9 HD1 LYS 9 10.796 -1.696 10.592 65 1HE LYS 9 HE2 LYS 9 13.097 -2.304 9.555 66 2HE LYS 9 HE1 LYS 9 13.500 -0.595 9.814 67 1HZ LYS 9 HZ1 LYS 9 12.537 -2.531 11.852 68 2HZ LYS 9 HZ2 LYS 9 12.690 -0.861 12.125 69 3HZ LYS 9 HZ3 LYS 9 14.066 -1.799 11.789 70 H GLY 10 HN GLY 10 7.671 1.092 6.567 71 1HA GLY 10 HA2 GLY 10 7.806 2.656 4.686 72 2HA GLY 10 HA1 GLY 10 9.564 2.511 4.748 73 H CYS 11 HN CYS 11 8.080 -0.484 5.225 74 HA CYS 11 HA CYS 11 8.864 -1.336 2.493 75 1HB CYS 11 HB2 CYS 11 8.385 -2.573 5.172 76 2HB CYS 11 HB1 CYS 11 8.179 -3.598 3.752 77 H LYS 12 HN LYS 12 7.382 -2.569 1.168 78 HA LYS 12 HA LYS 12 4.694 -1.557 1.080 79 1HB LYS 12 HB2 LYS 12 5.879 -4.042 -0.194 80 2HB LYS 12 HB1 LYS 12 4.505 -3.107 -0.785 81 1HG LYS 12 HG2 LYS 12 6.510 -1.201 -0.510 82 2HG LYS 12 HG1 LYS 12 7.366 -2.614 -1.130 83 1HD LYS 12 HD2 LYS 12 4.773 -1.676 -2.358 84 2HD LYS 12 HD1 LYS 12 6.329 -1.023 -2.872 85 1HE LYS 12 HE2 LYS 12 6.903 -2.943 -3.972 86 2HE LYS 12 HE1 LYS 12 6.219 -3.980 -2.704 87 1HZ LYS 12 HZ1 LYS 12 4.921 -4.008 -4.804 88 2HZ LYS 12 HZ2 LYS 12 4.591 -2.355 -4.585 89 3HZ LYS 12 HZ3 LYS 12 4.022 -3.494 -3.462 90 H LEU 13 HN LEU 13 2.724 -2.643 1.589 91 HA LEU 13 HA LEU 13 2.936 -4.625 3.771 92 1HB LEU 13 HB2 LEU 13 1.411 -2.470 3.438 93 2HB LEU 13 HB1 LEU 13 0.365 -3.619 2.604 94 HG LEU 13 HG LEU 13 0.561 -5.114 4.645 95 1HD1 LEU 13 HD11 LEU 13 2.423 -3.044 5.364 96 2HD1 LEU 13 HD12 LEU 13 2.059 -4.541 6.223 97 3HD1 LEU 13 HD13 LEU 13 1.120 -3.084 6.551 98 1HD2 LEU 13 HD21 LEU 13 -1.020 -3.694 6.001 99 2HD2 LEU 13 HD22 LEU 13 -1.454 -3.805 4.295 100 3HD2 LEU 13 HD23 LEU 13 -0.667 -2.353 4.912 101 H SER 14 HN SER 14 3.437 -6.633 2.790 102 HA SER 14 HA SER 14 2.643 -7.728 0.377 103 1HB SER 14 HB2 SER 14 3.117 -8.772 3.140 104 2HB SER 14 HB1 SER 14 2.470 -9.891 1.944 105 HG SER 14 HG SER 14 4.956 -9.200 2.250 106 H CYS 15 HN CYS 15 0.721 -8.571 -0.473 107 HA CYS 15 HA CYS 15 -1.674 -8.553 1.333 108 1HB CYS 15 HB2 CYS 15 -2.907 -7.452 -0.404 109 2HB CYS 15 HB1 CYS 15 -1.380 -6.581 -0.268 110 H VAL 16 HN VAL 16 -2.969 -10.360 1.154 111 HA VAL 16 HA VAL 16 -2.365 -12.283 -1.069 112 HB VAL 16 HB VAL 16 -1.553 -12.790 1.318 113 1HG1 VAL 16 HG11 VAL 16 -3.968 -11.962 2.117 114 2HG1 VAL 16 HG12 VAL 16 -3.063 -13.179 3.016 115 3HG1 VAL 16 HG13 VAL 16 -4.343 -13.672 1.908 116 1HG2 VAL 16 HG21 VAL 16 -3.518 -14.866 0.387 117 2HG2 VAL 16 HG22 VAL 16 -1.874 -15.082 0.986 118 3HG2 VAL 16 HG23 VAL 16 -2.144 -14.445 -0.636 119 H ALA 17 HN ALA 17 -4.685 -10.309 0.387 120 HA ALA 17 HA ALA 17 -6.860 -11.625 -1.148 121 1HB ALA 17 HB1 ALA 17 -6.662 -12.533 1.248 122 2HB ALA 17 HB2 ALA 17 -8.243 -11.904 0.784 123 3HB ALA 17 HB3 ALA 17 -7.163 -10.929 1.782 124 H ASN 18 HN ASN 18 -8.623 -10.144 -1.569 125 HA ASN 18 HA ASN 18 -7.855 -7.358 -1.738 126 1HB ASN 18 HB2 ASN 18 -10.366 -8.968 -2.225 127 2HB ASN 18 HB1 ASN 18 -10.330 -7.221 -2.467 128 1HD2 ASN 18 HD21 ASN 18 -10.785 -8.797 -4.721 129 2HD2 ASN 18 HD22 ASN 18 -9.411 -8.797 -5.718 130 H ASN 19 HN ASN 19 -10.175 -9.145 0.314 131 HA ASN 19 HA ASN 19 -11.393 -7.046 1.699 132 1HB ASN 19 HB2 ASN 19 -11.517 -8.745 3.563 133 2HB ASN 19 HB1 ASN 19 -11.984 -9.385 1.987 134 1HD2 ASN 19 HD21 ASN 19 -10.528 -10.547 4.548 135 2HD2 ASN 19 HD22 ASN 19 -9.237 -11.415 3.868 136 H TYR 20 HN TYR 20 -8.253 -8.596 2.455 137 HA TYR 20 HA TYR 20 -7.595 -7.149 4.788 138 1HB TYR 20 HB2 TYR 20 -6.384 -9.094 3.807 139 2HB TYR 20 HB1 TYR 20 -5.797 -8.051 2.512 140 HD1 TYR 20 HD1 TYR 20 -3.700 -7.081 2.773 141 HD2 TYR 20 HD2 TYR 20 -5.995 -8.079 6.263 142 HE1 TYR 20 HE1 TYR 20 -1.830 -6.329 4.216 143 HE2 TYR 20 HE2 TYR 20 -4.125 -7.326 7.708 144 HH TYR 20 HH TYR 20 -1.106 -7.001 6.782 145 H CYS 21 HN CYS 21 -6.949 -6.309 1.373 146 HA CYS 21 HA CYS 21 -5.693 -3.766 2.008 147 1HB CYS 21 HB2 CYS 21 -6.693 -5.237 -0.413 148 2HB CYS 21 HB1 CYS 21 -6.257 -3.535 -0.568 149 H ASP 22 HN ASP 22 -8.988 -4.831 1.349 150 HA ASP 22 HA ASP 22 -10.207 -2.369 0.653 151 1HB ASP 22 HB2 ASP 22 -11.017 -4.889 0.891 152 2HB ASP 22 HB1 ASP 22 -11.556 -4.329 2.474 153 H ASN 23 HN ASN 23 -9.777 -3.812 3.911 154 HA ASN 23 HA ASN 23 -10.860 -1.481 5.277 155 1HB ASN 23 HB2 ASN 23 -10.574 -4.057 5.906 156 2HB ASN 23 HB1 ASN 23 -9.053 -3.478 6.586 157 1HD2 ASN 23 HD21 ASN 23 -9.664 -3.632 8.821 158 2HD2 ASN 23 HD22 ASN 23 -10.895 -2.683 9.502 159 H GLN 24 HN GLN 24 -7.544 -2.818 4.934 160 HA GLN 24 HA GLN 24 -6.143 -0.836 6.357 161 1HB GLN 24 HB2 GLN 24 -5.348 -3.021 5.293 162 2HB GLN 24 HB1 GLN 24 -5.236 -2.132 3.774 163 1HG GLN 24 HG2 GLN 24 -3.079 -2.261 5.123 164 2HG GLN 24 HG1 GLN 24 -3.590 -0.636 4.667 165 1HE2 GLN 24 HE21 GLN 24 -4.236 -2.936 7.388 166 2HE2 GLN 24 HE22 GLN 24 -4.114 -1.755 8.601 167 H CYS 25 HN CYS 25 -6.832 -0.876 2.824 168 HA CYS 25 HA CYS 25 -5.754 1.678 2.211 169 1HB CYS 25 HB2 CYS 25 -8.007 -0.007 1.102 170 2HB CYS 25 HB1 CYS 25 -7.561 1.527 0.360 171 H LYS 26 HN LYS 26 -9.045 0.752 3.235 172 HA LYS 26 HA LYS 26 -10.273 3.302 3.154 173 1HB LYS 26 HB2 LYS 26 -11.485 1.221 3.517 174 2HB LYS 26 HB1 LYS 26 -10.602 0.925 5.015 175 1HG LYS 26 HG2 LYS 26 -11.908 2.351 6.209 176 2HG LYS 26 HG1 LYS 26 -11.954 3.543 4.909 177 1HD LYS 26 HD2 LYS 26 -13.567 2.058 3.687 178 2HD LYS 26 HD1 LYS 26 -13.607 1.009 5.104 179 1HE LYS 26 HE2 LYS 26 -15.451 2.413 5.499 180 2HE LYS 26 HE1 LYS 26 -14.168 3.269 6.377 181 1HZ LYS 26 HZ1 LYS 26 -15.184 3.809 3.647 182 2HZ LYS 26 HZ2 LYS 26 -13.688 4.405 4.187 183 3HZ LYS 26 HZ3 LYS 26 -15.123 4.872 4.967 184 H MET 27 HN MET 27 -8.436 1.723 5.782 185 HA MET 27 HA MET 27 -8.671 3.786 7.731 186 1HB MET 27 HB2 MET 27 -6.815 1.527 7.087 187 2HB MET 27 HB1 MET 27 -6.286 2.699 8.294 188 1HG MET 27 HG2 MET 27 -7.894 2.075 9.805 189 2HG MET 27 HG1 MET 27 -9.078 1.711 8.550 190 1HE MET 27 HE1 MET 27 -6.577 0.323 11.067 191 2HE MET 27 HE2 MET 27 -5.542 0.754 9.708 192 3HE MET 27 HE3 MET 27 -5.713 -0.937 10.174 193 H LYS 28 HN LYS 28 -6.618 3.448 4.895 194 HA LYS 28 HA LYS 28 -4.944 5.774 5.625 195 1HB LYS 28 HB2 LYS 28 -5.112 3.827 3.311 196 2HB LYS 28 HB1 LYS 28 -3.994 5.190 3.308 197 1HG LYS 28 HG2 LYS 28 -3.981 3.547 5.772 198 2HG LYS 28 HG1 LYS 28 -3.372 2.746 4.324 199 1HD LYS 28 HD2 LYS 28 -1.417 3.808 4.708 200 2HD LYS 28 HD1 LYS 28 -2.237 5.287 4.205 201 1HE LYS 28 HE2 LYS 28 -1.589 5.979 6.313 202 2HE LYS 28 HE1 LYS 28 -3.082 5.143 6.786 203 1HZ LYS 28 HZ1 LYS 28 -0.845 4.462 7.883 204 2HZ LYS 28 HZ2 LYS 28 -0.599 3.604 6.438 205 3HZ LYS 28 HZ3 LYS 28 -1.946 3.261 7.414 206 H LYS 29 HN LYS 29 -8.013 5.643 4.755 207 HA LYS 29 HA LYS 29 -9.468 7.178 3.702 208 1HB LYS 29 HB2 LYS 29 -7.721 8.707 4.789 209 2HB LYS 29 HB1 LYS 29 -6.958 8.793 3.200 210 1HG LYS 29 HG2 LYS 29 -8.881 9.799 2.217 211 2HG LYS 29 HG1 LYS 29 -9.887 9.412 3.613 212 1HD LYS 29 HD2 LYS 29 -8.486 10.929 5.006 213 2HD LYS 29 HD1 LYS 29 -7.569 11.366 3.564 214 1HE LYS 29 HE2 LYS 29 -10.500 11.905 4.126 215 2HE LYS 29 HE1 LYS 29 -9.220 13.082 3.769 216 1HZ LYS 29 HZ1 LYS 29 -10.447 11.093 1.957 217 2HZ LYS 29 HZ2 LYS 29 -8.914 11.750 1.632 218 3HZ LYS 29 HZ3 LYS 29 -10.274 12.764 1.726 219 H ALA 30 HN ALA 30 -8.856 5.077 2.107 220 HA ALA 30 HA ALA 30 -8.216 6.328 -0.548 221 1HB ALA 30 HB1 ALA 30 -6.732 4.644 -0.899 222 2HB ALA 30 HB2 ALA 30 -7.838 3.429 -0.255 223 3HB ALA 30 HB3 ALA 30 -6.834 4.379 0.842 224 H SER 31 HN SER 31 -9.305 5.206 -2.392 225 HA SER 31 HA SER 31 -11.986 4.133 -1.580 226 1HB SER 31 HB2 SER 31 -12.360 4.967 -4.094 227 2HB SER 31 HB1 SER 31 -12.420 6.090 -2.739 228 HG SER 31 HG SER 31 -10.408 5.661 -4.648 229 H GLY 32 HN GLY 32 -9.204 3.698 -3.726 230 1HA GLY 32 HA2 GLY 32 -10.396 1.140 -4.700 231 2HA GLY 32 HA1 GLY 32 -9.103 2.020 -5.516 232 H GLY 33 HN GLY 33 -9.823 0.180 -2.556 233 1HA GLY 33 HA2 GLY 33 -6.899 -0.287 -2.212 234 2HA GLY 33 HA1 GLY 33 -8.123 -0.568 -0.972 235 H HIS 34 HN HIS 34 -6.133 -2.143 -3.088 236 HA HIS 34 HA HIS 34 -7.718 -4.639 -2.843 237 1HB HIS 34 HB2 HIS 34 -7.661 -5.026 -5.249 238 2HB HIS 34 HB1 HIS 34 -8.387 -3.446 -4.954 239 HD1 HIS 34 HD1 HIS 34 -7.520 -1.778 -6.576 240 HD2 HIS 34 HD2 HIS 34 -4.566 -4.512 -5.486 241 HE1 HIS 34 HE1 HIS 34 -5.412 -1.079 -7.794 242 H CYS 35 HN CYS 35 -6.335 -6.521 -3.748 243 HA CYS 35 HA CYS 35 -3.505 -6.078 -2.908 244 1HB CYS 35 HB2 CYS 35 -4.682 -7.791 -1.702 245 2HB CYS 35 HB1 CYS 35 -5.319 -8.489 -3.192 246 H TYR 36 HN TYR 36 -1.868 -6.243 -4.415 247 HA TYR 36 HA TYR 36 -2.252 -7.767 -6.910 248 1HB TYR 36 HB2 TYR 36 -3.274 -5.355 -7.012 249 2HB TYR 36 HB1 TYR 36 -1.593 -4.835 -7.129 250 HD1 TYR 36 HD1 TYR 36 -0.124 -5.897 -8.951 251 HD2 TYR 36 HD2 TYR 36 -4.409 -6.193 -8.903 252 HE1 TYR 36 HE1 TYR 36 -0.111 -6.479 -11.361 253 HE2 TYR 36 HE2 TYR 36 -4.395 -6.776 -11.313 254 HH TYR 36 HH TYR 36 -1.488 -6.560 -13.238 255 H ALA 37 HN ALA 37 -0.243 -8.230 -7.914 256 HA ALA 37 HA ALA 37 2.095 -8.549 -8.002 257 1HB ALA 37 HB1 ALA 37 1.746 -5.723 -6.989 258 2HB ALA 37 HB2 ALA 37 2.155 -6.254 -8.620 259 3HB ALA 37 HB3 ALA 37 3.342 -6.395 -7.324 260 H MET 38 HN MET 38 0.643 -9.409 -5.556 261 HA MET 38 HA MET 38 1.255 -10.350 -3.471 262 1HB MET 38 HB2 MET 38 3.624 -10.029 -5.084 263 2HB MET 38 HB1 MET 38 4.027 -9.731 -3.394 264 1HG MET 38 HG2 MET 38 4.220 -12.016 -3.364 265 2HG MET 38 HG1 MET 38 2.481 -11.917 -3.086 266 1HE MET 38 HE1 MET 38 0.804 -12.695 -4.334 267 2HE MET 38 HE2 MET 38 1.671 -14.218 -4.157 268 3HE MET 38 HE3 MET 38 0.946 -13.800 -5.707 269 H SER 39 HN SER 39 0.992 -7.219 -4.050 270 HA SER 39 HA SER 39 1.746 -6.453 -1.260 271 1HB SER 39 HB2 SER 39 2.382 -4.946 -3.814 272 2HB SER 39 HB1 SER 39 2.705 -4.356 -2.187 273 HG SER 39 HG SER 39 3.983 -6.292 -1.909 274 H CYS 40 HN CYS 40 0.493 -4.629 -0.459 275 HA CYS 40 HA CYS 40 -2.222 -4.527 -1.538 276 1HB CYS 40 HB2 CYS 40 -1.349 -4.458 0.911 277 2HB CYS 40 HB1 CYS 40 -1.042 -2.749 0.596 278 H TYR 41 HN TYR 41 -3.276 -2.487 -2.147 279 HA TYR 41 HA TYR 41 -1.543 -0.202 -2.872 280 1HB TYR 41 HB2 TYR 41 -1.353 -1.858 -4.719 281 2HB TYR 41 HB1 TYR 41 -3.107 -1.832 -4.903 282 HD1 TYR 41 HD1 TYR 41 -4.245 0.064 -5.899 283 HD2 TYR 41 HD2 TYR 41 0.006 0.117 -5.293 284 HE1 TYR 41 HE1 TYR 41 -4.063 2.064 -7.356 285 HE2 TYR 41 HE2 TYR 41 0.191 2.115 -6.750 286 HH TYR 41 HH TYR 41 -1.827 3.037 -8.869 287 H CYS 42 HN CYS 42 -2.734 1.597 -2.372 288 HA CYS 42 HA CYS 42 -5.722 1.347 -2.390 289 1HB CYS 42 HB2 CYS 42 -3.945 3.275 -0.867 290 2HB CYS 42 HB1 CYS 42 -5.656 2.962 -0.589 291 H GLU 43 HN GLU 43 -6.922 2.993 -3.412 292 HA GLU 43 HA GLU 43 -5.332 4.906 -5.089 293 1HB GLU 43 HB2 GLU 43 -6.609 3.149 -6.280 294 2HB GLU 43 HB1 GLU 43 -8.087 3.687 -5.482 295 1HG GLU 43 HG2 GLU 43 -7.488 6.023 -6.476 296 2HG GLU 43 HG1 GLU 43 -6.448 5.108 -7.568 297 H GLY 44 HN GLY 44 -5.503 6.985 -4.365 298 1HA GLY 44 HA2 GLY 44 -7.014 8.924 -4.028 299 2HA GLY 44 HA1 GLY 44 -8.096 7.844 -3.145 300 H LEU 45 HN LEU 45 -4.937 7.047 -2.396 301 HA LEU 45 HA LEU 45 -5.020 7.603 0.332 302 1HB LEU 45 HB2 LEU 45 -2.796 7.453 -1.709 303 2HB LEU 45 HB1 LEU 45 -2.449 7.634 0.010 304 HG LEU 45 HG LEU 45 -4.222 5.446 -1.098 305 1HD1 LEU 45 HD11 LEU 45 -2.013 4.123 -0.348 306 2HD1 LEU 45 HD12 LEU 45 -1.258 5.646 -0.818 307 3HD1 LEU 45 HD13 LEU 45 -2.217 4.738 -1.988 308 1HD2 LEU 45 HD21 LEU 45 -2.741 5.141 1.444 309 2HD2 LEU 45 HD22 LEU 45 -4.414 4.731 1.062 310 3HD2 LEU 45 HD23 LEU 45 -3.982 6.394 1.458 311 HA PRO 46 HA PRO 46 -4.432 11.912 0.868 312 1HB PRO 46 HB2 PRO 46 -2.585 12.040 2.890 313 2HB PRO 46 HB1 PRO 46 -4.275 11.559 3.145 314 1HG PRO 46 HG2 PRO 46 -1.840 9.864 2.908 315 2HG PRO 46 HG1 PRO 46 -3.245 9.682 3.971 316 1HD PRO 46 HD2 PRO 46 -2.883 8.219 1.704 317 2HD PRO 46 HD1 PRO 46 -4.484 8.610 2.365 318 H GLU 47 HN GLU 47 -2.937 13.681 0.443 319 HA GLU 47 HA GLU 47 -1.049 13.253 -1.616 320 1HB GLU 47 HB2 GLU 47 -2.160 15.376 -1.132 321 2HB GLU 47 HB1 GLU 47 -1.337 15.479 0.425 322 1HG GLU 47 HG2 GLU 47 0.727 15.080 -1.410 323 2HG GLU 47 HG1 GLU 47 -0.364 16.201 -2.225 324 H ASN 48 HN ASN 48 -0.547 13.482 1.909 325 HA ASN 48 HA ASN 48 2.370 13.016 1.486 326 1HB ASN 48 HB2 ASN 48 2.622 13.968 3.643 327 2HB ASN 48 HB1 ASN 48 1.306 14.893 2.921 328 1HD2 ASN 48 HD21 ASN 48 2.140 13.415 5.767 329 2HD2 ASN 48 HD22 ASN 48 0.595 13.025 6.353 330 H ALA 49 HN ALA 49 0.125 10.924 1.306 331 HA ALA 49 HA ALA 49 0.151 9.207 3.567 332 1HB ALA 49 HB1 ALA 49 -1.072 7.888 2.158 333 2HB ALA 49 HB2 ALA 49 0.145 7.964 0.883 334 3HB ALA 49 HB3 ALA 49 -1.002 9.288 1.088 335 H LYS 50 HN LYS 50 1.383 7.230 3.893 336 HA LYS 50 HA LYS 50 4.197 7.473 2.949 337 1HB LYS 50 HB2 LYS 50 3.529 7.319 5.388 338 2HB LYS 50 HB1 LYS 50 2.966 5.679 5.064 339 1HG LYS 50 HG2 LYS 50 5.106 5.133 5.660 340 2HG LYS 50 HG1 LYS 50 5.440 5.537 3.975 341 1HD LYS 50 HD2 LYS 50 5.714 7.977 4.877 342 2HD LYS 50 HD1 LYS 50 5.923 7.190 6.442 343 1HE LYS 50 HE2 LYS 50 7.975 6.335 5.878 344 2HE LYS 50 HE1 LYS 50 7.488 6.020 4.200 345 1HZ LYS 50 HZ1 LYS 50 8.962 7.844 4.111 346 2HZ LYS 50 HZ2 LYS 50 8.217 8.622 5.424 347 3HZ LYS 50 HZ3 LYS 50 7.411 8.506 3.933 348 H VAL 51 HN VAL 51 4.035 6.529 0.842 349 HA VAL 51 HA VAL 51 3.327 3.612 0.833 350 HB VAL 51 HB VAL 51 2.522 4.081 -1.515 351 1HG1 VAL 51 HG11 VAL 51 1.054 5.914 0.356 352 2HG1 VAL 51 HG12 VAL 51 1.128 4.189 0.717 353 3HG1 VAL 51 HG13 VAL 51 0.407 4.743 -0.794 354 1HG2 VAL 51 HG21 VAL 51 2.318 6.316 -2.295 355 2HG2 VAL 51 HG22 VAL 51 3.943 6.229 -1.616 356 3HG2 VAL 51 HG23 VAL 51 2.643 6.988 -0.698 357 H SER 52 HN SER 52 4.388 2.487 -1.097 358 HA SER 52 HA SER 52 7.239 3.177 -1.180 359 1HB SER 52 HB2 SER 52 6.053 0.864 -1.065 360 2HB SER 52 HB1 SER 52 5.803 1.068 -2.796 361 HG SER 52 HG SER 52 8.156 0.699 -1.337 362 H ASP 53 HN ASP 53 8.387 3.591 -3.210 363 HA ASP 53 HA ASP 53 6.649 4.934 -5.244 364 1HB ASP 53 HB2 ASP 53 8.541 6.350 -5.629 365 2HB ASP 53 HB1 ASP 53 8.446 6.154 -3.879 366 H SER 54 HN SER 54 8.020 2.005 -4.826 367 HA SER 54 HA SER 54 8.412 1.631 -7.753 368 1HB SER 54 HB2 SER 54 10.564 0.437 -7.230 369 2HB SER 54 HB1 SER 54 10.612 2.160 -6.862 370 HG SER 54 HG SER 54 11.001 0.097 -5.228 371 H ALA 55 HN ALA 55 7.959 -0.521 -8.419 372 HA ALA 55 HA ALA 55 6.175 -2.071 -6.797 373 1HB ALA 55 HB1 ALA 55 7.651 -2.330 -9.385 374 2HB ALA 55 HB2 ALA 55 5.917 -2.413 -9.074 375 3HB ALA 55 HB3 ALA 55 6.947 -3.795 -8.701 376 H THR 56 HN THR 56 9.622 -1.910 -6.926 377 HA THR 56 HA THR 56 10.052 -4.610 -5.813 378 HB THR 56 HB THR 56 12.244 -2.647 -5.777 379 HG1 THR 56 HG1 THR 56 12.071 -1.955 -7.751 380 1HG2 THR 56 HG21 THR 56 11.794 -5.430 -6.238 381 2HG2 THR 56 HG22 THR 56 13.334 -4.587 -6.075 382 3HG2 THR 56 HG23 THR 56 12.587 -4.760 -7.663 383 H ASN 57 HN ASN 57 11.666 -4.557 -3.810 384 HA ASN 57 HA ASN 57 10.249 -3.192 -1.630 385 1HB ASN 57 HB2 ASN 57 11.851 -4.508 -0.264 386 2HB ASN 57 HB1 ASN 57 11.072 -5.517 -1.484 387 1HD2 ASN 57 HD21 ASN 57 14.134 -4.320 -0.361 388 2HD2 ASN 57 HD22 ASN 57 15.085 -4.991 -1.597 389 H ILE 58 HN ILE 58 10.747 -0.930 -1.997 390 HA ILE 58 HA ILE 58 13.621 -0.158 -1.968 391 HB ILE 58 HB ILE 58 11.977 0.776 -3.616 392 1HG1 ILE 58 HG12 ILE 58 12.502 3.251 -2.980 393 2HG1 ILE 58 HG11 ILE 58 13.401 2.546 -1.635 394 1HG2 ILE 58 HG21 ILE 58 10.274 0.887 -1.472 395 2HG2 ILE 58 HG22 ILE 58 10.037 1.780 -2.974 396 3HG2 ILE 58 HG23 ILE 58 10.792 2.569 -1.590 397 1HD1 ILE 58 HD11 ILE 58 14.150 1.043 -3.891 398 2HD1 ILE 58 HD12 ILE 58 15.130 2.243 -3.048 399 3HD1 ILE 58 HD13 ILE 58 14.146 2.721 -4.431 400 H CYS 59 HN CYS 59 13.251 -1.166 0.439 401 HA CYS 59 HA CYS 59 12.169 0.859 2.310 402 1HB CYS 59 HB2 CYS 59 12.604 -1.970 2.205 403 2HB CYS 59 HB1 CYS 59 13.476 -1.324 3.595 404 H GLY 60 HN GLY 60 13.964 2.397 1.538 405 1HA GLY 60 HA2 GLY 60 16.584 1.766 2.816 406 2HA GLY 60 HA1 GLY 60 16.342 2.990 1.569 Start of MODEL 10 1 1H LYS 1 HT1 LYS 1 2.828 10.683 5.546 2 2H LYS 1 HT2 LYS 1 1.743 11.031 4.287 3 3H LYS 1 HT3 LYS 1 2.611 9.571 4.285 4 HA LYS 1 HA LYS 1 1.053 9.947 6.680 5 1HB LYS 1 HB2 LYS 1 -1.093 9.882 5.633 6 2HB LYS 1 HB1 LYS 1 -0.201 11.136 4.773 7 1HG LYS 1 HG2 LYS 1 0.349 8.621 3.510 8 2HG LYS 1 HG1 LYS 1 -1.397 8.783 3.691 9 1HD LYS 1 HD2 LYS 1 -1.336 10.972 2.603 10 2HD LYS 1 HD1 LYS 1 0.422 10.892 2.491 11 1HE LYS 1 HE2 LYS 1 0.379 9.299 0.795 12 2HE LYS 1 HE1 LYS 1 -1.189 8.649 1.307 13 1HZ LYS 1 HZ1 LYS 1 -1.990 11.046 0.777 14 2HZ LYS 1 HZ2 LYS 1 -1.797 9.930 -0.489 15 3HZ LYS 1 HZ3 LYS 1 -0.607 11.108 -0.202 16 H ASP 2 HN ASP 2 -0.068 7.819 7.097 17 HA ASP 2 HA ASP 2 1.490 5.582 5.865 18 1HB ASP 2 HB2 ASP 2 -0.259 5.515 8.333 19 2HB ASP 2 HB1 ASP 2 1.085 4.449 7.924 20 H GLY 3 HN GLY 3 0.394 3.904 4.796 21 1HA GLY 3 HA2 GLY 3 -2.349 3.256 5.090 22 2HA GLY 3 HA1 GLY 3 -2.235 4.425 3.776 23 H TYR 4 HN TYR 4 -3.109 2.459 2.597 24 HA TYR 4 HA TYR 4 -0.974 0.492 1.879 25 1HB TYR 4 HB2 TYR 4 -3.972 0.563 1.395 26 2HB TYR 4 HB1 TYR 4 -2.908 -0.784 0.991 27 HD1 TYR 4 HD1 TYR 4 -2.432 -2.442 2.583 28 HD2 TYR 4 HD2 TYR 4 -4.023 1.337 3.868 29 HE1 TYR 4 HE1 TYR 4 -2.675 -3.328 4.885 30 HE2 TYR 4 HE2 TYR 4 -4.263 0.450 6.173 31 HH TYR 4 HH TYR 4 -3.946 -1.280 7.517 32 HA PRO 5 HA PRO 5 -0.616 2.708 -1.947 33 1HB PRO 5 HB2 PRO 5 0.986 0.915 -3.237 34 2HB PRO 5 HB1 PRO 5 1.589 2.016 -1.982 35 1HG PRO 5 HG2 PRO 5 0.928 -0.873 -1.803 36 2HG PRO 5 HG1 PRO 5 2.207 0.047 -0.998 37 1HD PRO 5 HD2 PRO 5 -0.143 -0.730 0.204 38 2HD PRO 5 HD1 PRO 5 0.857 0.636 0.741 39 H VAL 6 HN VAL 6 -1.825 2.654 -3.824 40 HA VAL 6 HA VAL 6 -3.140 0.057 -4.564 41 HB VAL 6 HB VAL 6 -5.108 1.417 -5.123 42 1HG1 VAL 6 HG11 VAL 6 -5.812 1.733 -2.933 43 2HG1 VAL 6 HG12 VAL 6 -4.271 2.429 -2.430 44 3HG1 VAL 6 HG13 VAL 6 -4.414 0.689 -2.679 45 1HG2 VAL 6 HG21 VAL 6 -4.438 3.904 -3.928 46 2HG2 VAL 6 HG22 VAL 6 -4.812 3.593 -5.623 47 3HG2 VAL 6 HG23 VAL 6 -3.142 3.520 -5.061 48 H ASP 7 HN ASP 7 -4.055 0.291 -6.896 49 HA ASP 7 HA ASP 7 -1.827 1.298 -8.616 50 1HB ASP 7 HB2 ASP 7 -2.893 -0.248 -10.277 51 2HB ASP 7 HB1 ASP 7 -2.430 -1.065 -8.783 52 H SER 8 HN SER 8 -3.021 1.702 -11.002 53 HA SER 8 HA SER 8 -4.241 4.270 -10.801 54 1HB SER 8 HB2 SER 8 -4.382 4.082 -13.168 55 2HB SER 8 HB1 SER 8 -3.012 3.064 -12.733 56 HG SER 8 HG SER 8 -4.965 2.295 -14.142 57 H LYS 9 HN LYS 9 -5.591 1.161 -10.284 58 HA LYS 9 HA LYS 9 -8.348 2.040 -10.982 59 1HB LYS 9 HB2 LYS 9 -7.245 -0.207 -11.588 60 2HB LYS 9 HB1 LYS 9 -7.434 -0.623 -9.883 61 1HG LYS 9 HG2 LYS 9 -9.711 -0.801 -10.038 62 2HG LYS 9 HG1 LYS 9 -9.833 0.492 -11.230 63 1HD LYS 9 HD2 LYS 9 -8.846 -2.325 -11.764 64 2HD LYS 9 HD1 LYS 9 -10.403 -1.663 -12.261 65 1HE LYS 9 HE2 LYS 9 -9.002 0.176 -13.460 66 2HE LYS 9 HE1 LYS 9 -7.654 -0.966 -13.291 67 1HZ LYS 9 HZ1 LYS 9 -9.068 -1.230 -15.352 68 2HZ LYS 9 HZ2 LYS 9 -10.307 -1.780 -14.328 69 3HZ LYS 9 HZ3 LYS 9 -8.839 -2.631 -14.424 70 H GLY 10 HN GLY 10 -6.272 1.548 -8.214 71 1HA GLY 10 HA2 GLY 10 -6.879 2.582 -6.076 72 2HA GLY 10 HA1 GLY 10 -8.573 2.263 -6.453 73 H CYS 11 HN CYS 11 -6.850 -0.402 -7.415 74 HA CYS 11 HA CYS 11 -7.841 -2.012 -5.180 75 1HB CYS 11 HB2 CYS 11 -6.286 -2.482 -7.732 76 2HB CYS 11 HB1 CYS 11 -6.605 -3.791 -6.595 77 H LYS 12 HN LYS 12 -6.574 -2.914 -3.533 78 HA LYS 12 HA LYS 12 -4.059 -1.677 -2.851 79 1HB LYS 12 HB2 LYS 12 -5.410 -4.220 -1.879 80 2HB LYS 12 HB1 LYS 12 -4.121 -3.365 -1.032 81 1HG LYS 12 HG2 LYS 12 -5.673 -1.304 -1.135 82 2HG LYS 12 HG1 LYS 12 -6.951 -2.449 -1.544 83 1HD LYS 12 HD2 LYS 12 -5.202 -3.026 0.822 84 2HD LYS 12 HD1 LYS 12 -6.483 -1.825 0.984 85 1HE LYS 12 HE2 LYS 12 -8.011 -3.654 -0.101 86 2HE LYS 12 HE1 LYS 12 -6.730 -4.773 0.404 87 1HZ LYS 12 HZ1 LYS 12 -7.310 -2.850 2.431 88 2HZ LYS 12 HZ2 LYS 12 -7.302 -4.546 2.528 89 3HZ LYS 12 HZ3 LYS 12 -8.699 -3.729 2.013 90 H LEU 13 HN LEU 13 -1.943 -2.511 -3.077 91 HA LEU 13 HA LEU 13 -1.529 -4.431 -5.245 92 1HB LEU 13 HB2 LEU 13 -0.167 -2.372 -4.797 93 2HB LEU 13 HB1 LEU 13 0.428 -3.137 -3.323 94 HG LEU 13 HG LEU 13 1.186 -5.080 -4.792 95 1HD1 LEU 13 HD11 LEU 13 -0.180 -3.488 -6.740 96 2HD1 LEU 13 HD12 LEU 13 0.614 -5.046 -6.967 97 3HD1 LEU 13 HD13 LEU 13 1.527 -3.551 -7.179 98 1HD2 LEU 13 HD21 LEU 13 3.202 -4.090 -4.598 99 2HD2 LEU 13 HD22 LEU 13 2.381 -2.578 -4.211 100 3HD2 LEU 13 HD23 LEU 13 2.804 -2.950 -5.882 101 H SER 14 HN SER 14 -1.961 -6.558 -4.705 102 HA SER 14 HA SER 14 -1.893 -7.820 -2.222 103 1HB SER 14 HB2 SER 14 -0.877 -9.084 -4.772 104 2HB SER 14 HB1 SER 14 -1.839 -9.830 -3.499 105 HG SER 14 HG SER 14 -3.484 -8.232 -4.092 106 H CYS 15 HN CYS 15 -0.254 -8.210 -0.779 107 HA CYS 15 HA CYS 15 2.568 -8.000 -1.767 108 1HB CYS 15 HB2 CYS 15 3.040 -7.412 0.594 109 2HB CYS 15 HB1 CYS 15 1.808 -6.352 -0.092 110 H VAL 16 HN VAL 16 4.045 -9.655 -1.197 111 HA VAL 16 HA VAL 16 2.866 -12.066 0.144 112 HB VAL 16 HB VAL 16 2.963 -12.309 -2.304 113 1HG1 VAL 16 HG11 VAL 16 5.415 -10.885 -1.957 114 2HG1 VAL 16 HG12 VAL 16 4.636 -11.358 -3.465 115 3HG1 VAL 16 HG13 VAL 16 5.792 -12.442 -2.693 116 1HG2 VAL 16 HG21 VAL 16 4.883 -13.885 -0.600 117 2HG2 VAL 16 HG22 VAL 16 4.704 -14.255 -2.315 118 3HG2 VAL 16 HG23 VAL 16 3.314 -14.375 -1.237 119 H ALA 17 HN ALA 17 5.653 -9.984 -0.347 120 HA ALA 17 HA ALA 17 7.091 -11.513 1.795 121 1HB ALA 17 HB1 ALA 17 8.396 -10.054 -0.510 122 2HB ALA 17 HB2 ALA 17 7.893 -11.739 -0.645 123 3HB ALA 17 HB3 ALA 17 9.108 -11.273 0.546 124 H ASN 18 HN ASN 18 7.564 -10.212 3.534 125 HA ASN 18 HA ASN 18 6.833 -7.481 3.736 126 1HB ASN 18 HB2 ASN 18 8.555 -9.427 5.213 127 2HB ASN 18 HB1 ASN 18 8.704 -7.723 5.645 128 1HD2 ASN 18 HD21 ASN 18 7.423 -10.023 7.176 129 2HD2 ASN 18 HD22 ASN 18 5.843 -9.496 7.502 130 H ASN 19 HN ASN 19 9.737 -8.968 2.455 131 HA ASN 19 HA ASN 19 11.422 -6.611 2.592 132 1HB ASN 19 HB2 ASN 19 12.949 -7.984 1.401 133 2HB ASN 19 HB1 ASN 19 11.996 -9.128 2.345 134 1HD2 ASN 19 HD21 ASN 19 13.293 -8.889 -0.634 135 2HD2 ASN 19 HD22 ASN 19 12.114 -9.689 -1.557 136 H TYR 20 HN TYR 20 9.088 -7.876 0.272 137 HA TYR 20 HA TYR 20 9.809 -6.284 -1.995 138 1HB TYR 20 HB2 TYR 20 8.328 -8.168 -2.195 139 2HB TYR 20 HB1 TYR 20 7.226 -7.507 -0.987 140 HD1 TYR 20 HD1 TYR 20 5.822 -5.527 -1.507 141 HD2 TYR 20 HD2 TYR 20 8.312 -7.383 -4.476 142 HE1 TYR 20 HE1 TYR 20 4.585 -4.329 -3.292 143 HE2 TYR 20 HE2 TYR 20 7.074 -6.186 -6.261 144 HH TYR 20 HH TYR 20 5.385 -4.829 -6.733 145 H CYS 21 HN CYS 21 7.397 -5.715 0.594 146 HA CYS 21 HA CYS 21 6.681 -3.069 -0.348 147 1HB CYS 21 HB2 CYS 21 6.333 -4.637 2.219 148 2HB CYS 21 HB1 CYS 21 5.682 -3.010 2.023 149 H ASP 22 HN ASP 22 8.865 -4.305 2.189 150 HA ASP 22 HA ASP 22 9.650 -1.939 3.451 151 1HB ASP 22 HB2 ASP 22 10.349 -4.505 3.608 152 2HB ASP 22 HB1 ASP 22 11.714 -3.954 2.636 153 H ASN 23 HN ASN 23 10.778 -3.245 0.334 154 HA ASN 23 HA ASN 23 12.719 -1.110 -0.095 155 1HB ASN 23 HB2 ASN 23 12.667 -3.523 -1.007 156 2HB ASN 23 HB1 ASN 23 11.463 -2.937 -2.156 157 1HD2 ASN 23 HD21 ASN 23 12.732 -2.938 -4.077 158 2HD2 ASN 23 HD22 ASN 23 14.138 -2.005 -4.266 159 H GLN 24 HN GLN 24 9.618 -1.944 -1.715 160 HA GLN 24 HA GLN 24 9.346 0.363 -3.304 161 1HB GLN 24 HB2 GLN 24 7.935 -1.744 -3.235 162 2HB GLN 24 HB1 GLN 24 7.133 -1.079 -1.811 163 1HG GLN 24 HG2 GLN 24 5.925 -0.627 -3.984 164 2HG GLN 24 HG1 GLN 24 6.329 0.822 -3.062 165 1HE2 GLN 24 HE21 GLN 24 8.185 -1.261 -5.367 166 2HE2 GLN 24 HE22 GLN 24 8.718 0.032 -6.328 167 H CYS 25 HN CYS 25 7.932 -0.145 -0.039 168 HA CYS 25 HA CYS 25 6.898 2.432 0.396 169 1HB CYS 25 HB2 CYS 25 8.304 0.549 2.323 170 2HB CYS 25 HB1 CYS 25 7.198 1.840 2.789 171 H LYS 26 HN LYS 26 10.138 1.244 1.380 172 HA LYS 26 HA LYS 26 11.259 3.608 2.356 173 1HB LYS 26 HB2 LYS 26 12.214 1.243 2.186 174 2HB LYS 26 HB1 LYS 26 12.656 1.637 0.524 175 1HG LYS 26 HG2 LYS 26 14.573 2.073 1.948 176 2HG LYS 26 HG1 LYS 26 13.927 3.618 1.392 177 1HD LYS 26 HD2 LYS 26 13.897 4.203 3.581 178 2HD LYS 26 HD1 LYS 26 12.482 3.158 3.703 179 1HE LYS 26 HE2 LYS 26 14.949 1.605 3.815 180 2HE LYS 26 HE1 LYS 26 14.875 2.820 5.107 181 1HZ LYS 26 HZ1 LYS 26 12.583 2.103 5.553 182 2HZ LYS 26 HZ2 LYS 26 13.699 0.845 5.799 183 3HZ LYS 26 HZ3 LYS 26 12.742 0.876 4.395 184 H MET 27 HN MET 27 11.002 2.549 -1.043 185 HA MET 27 HA MET 27 12.401 4.789 -2.185 186 1HB MET 27 HB2 MET 27 10.332 2.818 -3.197 187 2HB MET 27 HB1 MET 27 11.149 3.973 -4.251 188 1HG MET 27 HG2 MET 27 13.128 2.838 -4.176 189 2HG MET 27 HG1 MET 27 12.928 2.405 -2.479 190 1HE MET 27 HE1 MET 27 12.797 1.853 -5.878 191 2HE MET 27 HE2 MET 27 11.759 0.493 -6.299 192 3HE MET 27 HE3 MET 27 13.383 0.194 -5.686 193 H LYS 28 HN LYS 28 9.110 4.317 -1.069 194 HA LYS 28 HA LYS 28 8.126 6.768 -2.398 195 1HB LYS 28 HB2 LYS 28 6.885 4.794 -0.450 196 2HB LYS 28 HB1 LYS 28 6.005 6.065 -1.300 197 1HG LYS 28 HG2 LYS 28 7.550 4.584 -3.211 198 2HG LYS 28 HG1 LYS 28 6.618 3.448 -2.236 199 1HD LYS 28 HD2 LYS 28 4.908 5.642 -2.806 200 2HD LYS 28 HD1 LYS 28 5.690 5.191 -4.322 201 1HE LYS 28 HE2 LYS 28 4.938 2.901 -4.117 202 2HE LYS 28 HE1 LYS 28 4.341 3.195 -2.471 203 1HZ LYS 28 HZ1 LYS 28 2.545 3.384 -4.088 204 2HZ LYS 28 HZ2 LYS 28 3.404 4.586 -4.927 205 3HZ LYS 28 HZ3 LYS 28 2.847 4.880 -3.349 206 H LYS 29 HN LYS 29 10.272 6.719 -0.194 207 HA LYS 29 HA LYS 29 10.856 8.193 1.562 208 1HB LYS 29 HB2 LYS 29 9.325 9.606 -0.074 209 2HB LYS 29 HB1 LYS 29 8.175 9.505 1.259 210 1HG LYS 29 HG2 LYS 29 10.756 10.132 2.335 211 2HG LYS 29 HG1 LYS 29 10.409 11.251 1.015 212 1HD LYS 29 HD2 LYS 29 8.263 10.652 3.024 213 2HD LYS 29 HD1 LYS 29 9.545 11.787 3.446 214 1HE LYS 29 HE2 LYS 29 8.736 13.394 2.045 215 2HE LYS 29 HE1 LYS 29 8.391 12.219 0.759 216 1HZ LYS 29 HZ1 LYS 29 6.276 12.683 1.450 217 2HZ LYS 29 HZ2 LYS 29 6.737 13.001 3.054 218 3HZ LYS 29 HZ3 LYS 29 6.634 11.398 2.498 219 H ALA 30 HN ALA 30 8.913 5.750 1.844 220 HA ALA 30 HA ALA 30 7.410 6.474 4.281 221 1HB ALA 30 HB1 ALA 30 6.744 4.041 4.081 222 2HB ALA 30 HB2 ALA 30 7.796 3.934 2.669 223 3HB ALA 30 HB3 ALA 30 6.394 5.003 2.645 224 H SER 31 HN SER 31 7.702 5.038 6.246 225 HA SER 31 HA SER 31 10.603 4.381 6.643 226 1HB SER 31 HB2 SER 31 10.079 4.981 9.034 227 2HB SER 31 HB1 SER 31 9.874 6.321 7.911 228 HG SER 31 HG SER 31 7.709 4.618 8.442 229 H GLY 32 HN GLY 32 7.279 3.309 7.023 230 1HA GLY 32 HA2 GLY 32 8.316 0.707 8.086 231 2HA GLY 32 HA1 GLY 32 6.759 1.375 8.577 232 H GLY 33 HN GLY 33 8.520 -0.118 5.915 233 1HA GLY 33 HA2 GLY 33 5.951 -0.389 4.420 234 2HA GLY 33 HA1 GLY 33 7.552 -0.561 3.703 235 H HIS 34 HN HIS 34 4.928 -2.284 4.801 236 HA HIS 34 HA HIS 34 6.486 -4.809 4.764 237 1HB HIS 34 HB2 HIS 34 5.443 -5.471 6.939 238 2HB HIS 34 HB1 HIS 34 6.503 -4.070 7.098 239 HD1 HIS 34 HD1 HIS 34 5.280 -1.684 7.173 240 HD2 HIS 34 HD2 HIS 34 2.779 -4.986 7.634 241 HE1 HIS 34 HE1 HIS 34 3.095 -0.804 8.104 242 H CYS 35 HN CYS 35 4.818 -6.712 4.982 243 HA CYS 35 HA CYS 35 2.446 -6.015 3.300 244 1HB CYS 35 HB2 CYS 35 3.887 -7.610 2.270 245 2HB CYS 35 HB1 CYS 35 4.106 -8.498 3.776 246 H TYR 36 HN TYR 36 0.429 -6.197 4.201 247 HA TYR 36 HA TYR 36 0.030 -8.005 6.536 248 1HB TYR 36 HB2 TYR 36 0.618 -5.422 6.950 249 2HB TYR 36 HB1 TYR 36 -1.110 -5.241 6.646 250 HD1 TYR 36 HD1 TYR 36 1.026 -7.777 8.416 251 HD2 TYR 36 HD2 TYR 36 -2.357 -5.137 8.606 252 HE1 TYR 36 HE1 TYR 36 0.544 -8.563 10.718 253 HE2 TYR 36 HE2 TYR 36 -2.840 -5.922 10.910 254 HH TYR 36 HH TYR 36 -0.694 -7.508 12.797 255 H ALA 37 HN ALA 37 -2.033 -8.925 6.523 256 HA ALA 37 HA ALA 37 -4.167 -9.497 5.682 257 1HB ALA 37 HB1 ALA 37 -5.557 -7.530 5.130 258 2HB ALA 37 HB2 ALA 37 -4.107 -6.532 5.025 259 3HB ALA 37 HB3 ALA 37 -4.591 -7.224 6.573 260 H MET 38 HN MET 38 -1.888 -9.850 3.918 261 HA MET 38 HA MET 38 -1.471 -10.358 1.651 262 1HB MET 38 HB2 MET 38 -4.414 -10.348 2.057 263 2HB MET 38 HB1 MET 38 -3.870 -10.286 0.380 264 1HG MET 38 HG2 MET 38 -2.361 -12.224 1.966 265 2HG MET 38 HG1 MET 38 -4.087 -12.584 1.929 266 1HE MET 38 HE1 MET 38 -5.230 -13.430 0.599 267 2HE MET 38 HE2 MET 38 -4.557 -14.591 -0.542 268 3HE MET 38 HE3 MET 38 -5.307 -13.113 -1.140 269 H SER 39 HN SER 39 -1.904 -7.414 2.705 270 HA SER 39 HA SER 39 -1.937 -6.188 -0.033 271 1HB SER 39 HB2 SER 39 -3.252 -5.268 2.539 272 2HB SER 39 HB1 SER 39 -3.123 -4.263 1.099 273 HG SER 39 HG SER 39 -5.107 -5.418 1.200 274 H CYS 40 HN CYS 40 -0.284 -4.702 -0.378 275 HA CYS 40 HA CYS 40 1.924 -4.584 1.482 276 1HB CYS 40 HB2 CYS 40 1.919 -4.390 -1.064 277 2HB CYS 40 HB1 CYS 40 1.321 -2.744 -0.851 278 H TYR 41 HN TYR 41 2.711 -2.615 2.557 279 HA TYR 41 HA TYR 41 0.875 -0.324 2.815 280 1HB TYR 41 HB2 TYR 41 -0.049 -2.083 4.305 281 2HB TYR 41 HB1 TYR 41 1.506 -2.182 5.132 282 HD1 TYR 41 HD1 TYR 41 2.388 -0.177 6.371 283 HD2 TYR 41 HD2 TYR 41 -1.601 -0.334 4.791 284 HE1 TYR 41 HE1 TYR 41 1.735 1.717 7.833 285 HE2 TYR 41 HE2 TYR 41 -2.256 1.561 6.252 286 HH TYR 41 HH TYR 41 -1.455 2.558 8.433 287 H CYS 42 HN CYS 42 2.021 1.507 3.443 288 HA CYS 42 HA CYS 42 4.826 1.102 4.426 289 1HB CYS 42 HB2 CYS 42 3.889 3.278 2.539 290 2HB CYS 42 HB1 CYS 42 5.549 2.798 2.892 291 H GLU 43 HN GLU 43 5.484 2.563 6.035 292 HA GLU 43 HA GLU 43 3.328 4.287 7.179 293 1HB GLU 43 HB2 GLU 43 4.703 2.361 8.358 294 2HB GLU 43 HB1 GLU 43 5.934 3.615 8.514 295 1HG GLU 43 HG2 GLU 43 3.111 4.254 9.296 296 2HG GLU 43 HG1 GLU 43 4.110 3.307 10.400 297 H GLY 44 HN GLY 44 3.564 6.275 6.095 298 1HA GLY 44 HA2 GLY 44 4.776 8.438 6.543 299 2HA GLY 44 HA1 GLY 44 6.270 7.539 6.282 300 H LEU 45 HN LEU 45 3.558 6.774 4.255 301 HA LEU 45 HA LEU 45 4.910 7.192 1.814 302 1HB LEU 45 HB2 LEU 45 2.075 6.972 2.742 303 2HB LEU 45 HB1 LEU 45 2.354 7.485 1.078 304 HG LEU 45 HG LEU 45 3.853 5.111 2.129 305 1HD1 LEU 45 HD11 LEU 45 0.952 5.165 1.260 306 2HD1 LEU 45 HD12 LEU 45 1.607 4.549 2.777 307 3HD1 LEU 45 HD13 LEU 45 1.929 3.697 1.267 308 1HD2 LEU 45 HD21 LEU 45 4.404 5.975 -0.087 309 2HD2 LEU 45 HD22 LEU 45 2.706 5.931 -0.559 310 3HD2 LEU 45 HD23 LEU 45 3.578 4.427 -0.264 311 HA PRO 46 HA PRO 46 4.768 11.511 1.096 312 1HB PRO 46 HB2 PRO 46 4.149 11.661 -1.560 313 2HB PRO 46 HB1 PRO 46 5.727 11.114 -0.967 314 1HG PRO 46 HG2 PRO 46 3.431 9.521 -1.974 315 2HG PRO 46 HG1 PRO 46 5.168 9.254 -2.181 316 1HD PRO 46 HD2 PRO 46 3.608 7.884 -0.392 317 2HD PRO 46 HD1 PRO 46 5.359 8.125 -0.210 318 H GLU 47 HN GLU 47 3.287 13.241 1.110 319 HA GLU 47 HA GLU 47 0.550 12.755 1.673 320 1HB GLU 47 HB2 GLU 47 1.804 14.758 2.327 321 2HB GLU 47 HB1 GLU 47 2.008 15.208 0.634 322 1HG GLU 47 HG2 GLU 47 0.136 16.451 0.983 323 2HG GLU 47 HG1 GLU 47 -0.702 14.915 0.764 324 H ASN 48 HN ASN 48 2.208 12.905 -1.364 325 HA ASN 48 HA ASN 48 -0.334 13.376 -2.856 326 1HB ASN 48 HB2 ASN 48 1.153 13.835 -4.716 327 2HB ASN 48 HB1 ASN 48 1.788 14.674 -3.298 328 1HD2 ASN 48 HD21 ASN 48 3.758 14.311 -5.041 329 2HD2 ASN 48 HD22 ASN 48 4.729 12.965 -4.685 330 H ALA 49 HN ALA 49 0.745 10.753 -1.467 331 HA ALA 49 HA ALA 49 1.040 8.947 -3.777 332 1HB ALA 49 HB1 ALA 49 1.853 9.007 -1.121 333 2HB ALA 49 HB2 ALA 49 1.975 7.613 -2.196 334 3HB ALA 49 HB3 ALA 49 0.584 7.783 -1.126 335 H LYS 50 HN LYS 50 -0.462 7.156 -4.133 336 HA LYS 50 HA LYS 50 -3.276 7.882 -3.435 337 1HB LYS 50 HB2 LYS 50 -2.293 7.568 -5.829 338 2HB LYS 50 HB1 LYS 50 -2.365 5.843 -5.463 339 1HG LYS 50 HG2 LYS 50 -4.470 6.126 -6.375 340 2HG LYS 50 HG1 LYS 50 -4.832 6.477 -4.685 341 1HD LYS 50 HD2 LYS 50 -5.258 8.662 -5.112 342 2HD LYS 50 HD1 LYS 50 -3.864 8.812 -6.182 343 1HE LYS 50 HE2 LYS 50 -5.731 7.120 -7.508 344 2HE LYS 50 HE1 LYS 50 -6.625 8.536 -6.918 345 1HZ LYS 50 HZ1 LYS 50 -4.886 9.960 -7.816 346 2HZ LYS 50 HZ2 LYS 50 -5.575 9.013 -9.047 347 3HZ LYS 50 HZ3 LYS 50 -4.053 8.607 -8.409 348 H VAL 51 HN VAL 51 -3.770 6.829 -1.510 349 HA VAL 51 HA VAL 51 -3.322 3.869 -1.457 350 HB VAL 51 HB VAL 51 -2.822 4.196 0.992 351 1HG1 VAL 51 HG11 VAL 51 -0.742 5.894 -0.004 352 2HG1 VAL 51 HG12 VAL 51 -1.186 4.756 -1.276 353 3HG1 VAL 51 HG13 VAL 51 -0.681 4.159 0.305 354 1HG2 VAL 51 HG21 VAL 51 -2.853 7.114 0.155 355 2HG2 VAL 51 HG22 VAL 51 -2.259 6.517 1.704 356 3HG2 VAL 51 HG23 VAL 51 -3.964 6.344 1.288 357 H SER 52 HN SER 52 -4.775 2.822 0.225 358 HA SER 52 HA SER 52 -7.504 3.919 -0.019 359 1HB SER 52 HB2 SER 52 -7.185 1.582 -0.459 360 2HB SER 52 HB1 SER 52 -6.256 1.363 1.021 361 HG SER 52 HG SER 52 -8.163 0.783 1.745 362 H ASP 53 HN ASP 53 -8.439 5.099 1.615 363 HA ASP 53 HA ASP 53 -7.018 5.348 4.203 364 1HB ASP 53 HB2 ASP 53 -8.626 7.220 4.491 365 2HB ASP 53 HB1 ASP 53 -7.782 7.328 2.945 366 H SER 54 HN SER 54 -8.655 2.887 3.391 367 HA SER 54 HA SER 54 -10.139 2.665 5.936 368 1HB SER 54 HB2 SER 54 -12.265 2.318 4.895 369 2HB SER 54 HB1 SER 54 -11.595 3.754 4.128 370 HG SER 54 HG SER 54 -12.457 1.708 2.885 371 H ALA 55 HN ALA 55 -10.343 0.488 6.574 372 HA ALA 55 HA ALA 55 -8.750 -1.459 5.029 373 1HB ALA 55 HB1 ALA 55 -10.225 -2.201 7.506 374 2HB ALA 55 HB2 ALA 55 -9.035 -0.909 7.666 375 3HB ALA 55 HB3 ALA 55 -8.540 -2.494 7.073 376 H THR 56 HN THR 56 -11.699 -0.433 4.444 377 HA THR 56 HA THR 56 -12.760 -3.171 3.852 378 HB THR 56 HB THR 56 -15.028 -1.908 4.396 379 HG1 THR 56 HG1 THR 56 -14.796 -0.143 5.526 380 1HG2 THR 56 HG21 THR 56 -13.044 -3.301 6.092 381 2HG2 THR 56 HG22 THR 56 -14.745 -3.672 5.811 382 3HG2 THR 56 HG23 THR 56 -14.295 -2.416 6.964 383 H ASN 57 HN ASN 57 -11.772 -2.483 1.678 384 HA ASN 57 HA ASN 57 -13.655 -0.670 0.200 385 1HB ASN 57 HB2 ASN 57 -11.621 -0.367 -1.304 386 2HB ASN 57 HB1 ASN 57 -11.445 0.277 0.328 387 1HD2 ASN 57 HD21 ASN 57 -9.073 -0.009 0.160 388 2HD2 ASN 57 HD22 ASN 57 -8.384 -1.553 0.306 389 H ILE 58 HN ILE 58 -13.588 -1.286 -2.273 390 HA ILE 58 HA ILE 58 -13.598 -4.278 -2.523 391 HB ILE 58 HB ILE 58 -15.567 -2.157 -3.395 392 1HG1 ILE 58 HG12 ILE 58 -16.374 -4.732 -2.157 393 2HG1 ILE 58 HG11 ILE 58 -15.457 -3.638 -1.121 394 1HG2 ILE 58 HG21 ILE 58 -15.679 -3.396 -5.323 395 2HG2 ILE 58 HG22 ILE 58 -16.685 -4.434 -4.312 396 3HG2 ILE 58 HG23 ILE 58 -14.985 -4.829 -4.565 397 1HD1 ILE 58 HD11 ILE 58 -17.740 -2.560 -2.748 398 2HD1 ILE 58 HD12 ILE 58 -17.076 -1.960 -1.228 399 3HD1 ILE 58 HD13 ILE 58 -18.075 -3.414 -1.241 400 H CYS 59 HN CYS 59 -11.893 -4.711 -3.895 401 HA CYS 59 HA CYS 59 -11.050 -2.835 -5.975 402 1HB CYS 59 HB2 CYS 59 -9.398 -4.154 -4.846 403 2HB CYS 59 HB1 CYS 59 -10.296 -5.643 -5.140 404 H GLY 60 HN GLY 60 -12.459 -2.648 -7.686 405 1HA GLY 60 HA2 GLY 60 -13.949 -3.287 -9.404 406 2HA GLY 60 HA1 GLY 60 -12.713 -4.508 -9.719 Start of MODEL 11 1 1H LYS 1 HT1 LYS 1 -2.806 11.896 -1.875 2 2H LYS 1 HT2 LYS 1 -2.977 10.304 -1.306 3 3H LYS 1 HT3 LYS 1 -4.052 10.913 -2.473 4 HA LYS 1 HA LYS 1 -2.417 10.907 -4.158 5 1HB LYS 1 HB2 LYS 1 -0.123 10.949 -3.653 6 2HB LYS 1 HB1 LYS 1 -0.815 11.834 -2.295 7 1HG LYS 1 HG2 LYS 1 -0.958 9.439 -1.195 8 2HG LYS 1 HG1 LYS 1 0.295 9.046 -2.372 9 1HD LYS 1 HD2 LYS 1 1.738 10.783 -1.523 10 2HD LYS 1 HD1 LYS 1 0.458 11.403 -0.478 11 1HE LYS 1 HE2 LYS 1 0.465 8.935 0.485 12 2HE LYS 1 HE1 LYS 1 2.118 8.922 -0.161 13 1HZ LYS 1 HZ1 LYS 1 2.798 10.426 1.330 14 2HZ LYS 1 HZ2 LYS 1 1.396 10.025 2.202 15 3HZ LYS 1 HZ3 LYS 1 1.400 11.375 1.170 16 H ASP 2 HN ASP 2 -1.030 8.908 -4.900 17 HA ASP 2 HA ASP 2 -2.365 6.435 -3.844 18 1HB ASP 2 HB2 ASP 2 -1.079 6.772 -6.556 19 2HB ASP 2 HB1 ASP 2 -2.359 5.657 -6.080 20 H GLY 3 HN GLY 3 -1.005 4.527 -3.626 21 1HA GLY 3 HA2 GLY 3 1.654 4.188 -4.337 22 2HA GLY 3 HA1 GLY 3 1.736 5.147 -2.862 23 H TYR 4 HN TYR 4 2.880 3.129 -2.123 24 HA TYR 4 HA TYR 4 0.978 0.956 -1.334 25 1HB TYR 4 HB2 TYR 4 4.001 1.110 -1.569 26 2HB TYR 4 HB1 TYR 4 3.123 -0.317 -1.023 27 HD1 TYR 4 HD1 TYR 4 1.483 -1.436 -2.577 28 HD2 TYR 4 HD2 TYR 4 4.168 1.651 -3.887 29 HE1 TYR 4 HE1 TYR 4 1.127 -2.126 -4.932 30 HE2 TYR 4 HE2 TYR 4 3.810 0.962 -6.243 31 HH TYR 4 HH TYR 4 1.450 -0.587 -7.369 32 HA PRO 5 HA PRO 5 1.417 2.692 2.752 33 1HB PRO 5 HB2 PRO 5 -0.092 0.812 4.043 34 2HB PRO 5 HB1 PRO 5 -0.802 2.135 3.096 35 1HG PRO 5 HG2 PRO 5 -0.413 -0.720 2.359 36 2HG PRO 5 HG1 PRO 5 -1.751 0.374 1.978 37 1HD PRO 5 HD2 PRO 5 0.228 -0.283 0.208 38 2HD PRO 5 HD1 PRO 5 -0.697 1.233 0.143 39 H VAL 6 HN VAL 6 2.889 2.258 4.396 40 HA VAL 6 HA VAL 6 4.346 -0.352 4.249 41 HB VAL 6 HB VAL 6 6.181 0.902 5.214 42 1HG1 VAL 6 HG11 VAL 6 6.616 1.788 3.197 43 2HG1 VAL 6 HG12 VAL 6 5.447 3.078 3.477 44 3HG1 VAL 6 HG13 VAL 6 4.922 1.551 2.767 45 1HG2 VAL 6 HG21 VAL 6 3.990 2.603 6.103 46 2HG2 VAL 6 HG22 VAL 6 5.276 3.548 5.351 47 3HG2 VAL 6 HG23 VAL 6 5.639 2.496 6.720 48 H ASP 7 HN ASP 7 5.408 -0.761 6.546 49 HA ASP 7 HA ASP 7 3.153 -0.797 8.521 50 1HB ASP 7 HB2 ASP 7 4.249 -2.830 9.350 51 2HB ASP 7 HB1 ASP 7 4.019 -2.954 7.605 52 H SER 8 HN SER 8 4.610 -1.412 10.806 53 HA SER 8 HA SER 8 5.598 1.163 11.637 54 1HB SER 8 HB2 SER 8 6.091 -0.071 13.714 55 2HB SER 8 HB1 SER 8 4.514 -0.536 13.081 56 HG SER 8 HG SER 8 5.492 -2.373 12.179 57 H LYS 9 HN LYS 9 7.083 -1.191 9.736 58 HA LYS 9 HA LYS 9 9.817 -0.403 10.679 59 1HB LYS 9 HB2 LYS 9 9.089 -2.821 10.754 60 2HB LYS 9 HB1 LYS 9 8.956 -2.774 8.996 61 1HG LYS 9 HG2 LYS 9 11.133 -3.533 9.196 62 2HG LYS 9 HG1 LYS 9 11.423 -1.794 9.190 63 1HD LYS 9 HD2 LYS 9 10.795 -2.715 11.866 64 2HD LYS 9 HD1 LYS 9 12.164 -3.609 11.203 65 1HE LYS 9 HE2 LYS 9 11.938 -0.576 11.219 66 2HE LYS 9 HE1 LYS 9 12.913 -1.529 12.355 67 1HZ LYS 9 HZ1 LYS 9 13.713 -0.696 9.877 68 2HZ LYS 9 HZ2 LYS 9 13.310 -2.328 9.634 69 3HZ LYS 9 HZ3 LYS 9 14.459 -1.899 10.810 70 H GLY 10 HN GLY 10 7.548 -0.089 8.114 71 1HA GLY 10 HA2 GLY 10 7.957 1.538 6.338 72 2HA GLY 10 HA1 GLY 10 9.673 1.137 6.420 73 H CYS 11 HN CYS 11 8.065 -1.737 6.679 74 HA CYS 11 HA CYS 11 8.740 -2.507 3.937 75 1HB CYS 11 HB2 CYS 11 7.261 -4.025 6.106 76 2HB CYS 11 HB1 CYS 11 8.136 -4.714 4.741 77 H LYS 12 HN LYS 12 7.197 -3.265 2.367 78 HA LYS 12 HA LYS 12 4.666 -1.808 2.362 79 1HB LYS 12 HB2 LYS 12 5.570 -3.982 0.464 80 2HB LYS 12 HB1 LYS 12 4.560 -2.580 0.110 81 1HG LYS 12 HG2 LYS 12 6.675 -1.224 0.906 82 2HG LYS 12 HG1 LYS 12 7.529 -2.717 0.519 83 1HD LYS 12 HD2 LYS 12 5.793 -1.082 -1.351 84 2HD LYS 12 HD1 LYS 12 7.540 -1.304 -1.451 85 1HE LYS 12 HE2 LYS 12 7.350 -3.531 -2.170 86 2HE LYS 12 HE1 LYS 12 5.713 -3.704 -1.509 87 1HZ LYS 12 HZ1 LYS 12 6.424 -2.886 -4.080 88 2HZ LYS 12 HZ2 LYS 12 5.768 -1.528 -3.298 89 3HZ LYS 12 HZ3 LYS 12 4.869 -2.966 -3.411 90 H LEU 13 HN LEU 13 2.580 -2.704 2.552 91 HA LEU 13 HA LEU 13 2.362 -5.207 4.059 92 1HB LEU 13 HB2 LEU 13 0.921 -3.391 4.641 93 2HB LEU 13 HB1 LEU 13 0.449 -3.136 2.961 94 HG LEU 13 HG LEU 13 -0.572 -5.441 2.981 95 1HD1 LEU 13 HD11 LEU 13 -0.917 -5.590 5.839 96 2HD1 LEU 13 HD12 LEU 13 0.805 -5.571 5.455 97 3HD1 LEU 13 HD13 LEU 13 -0.244 -6.799 4.746 98 1HD2 LEU 13 HD21 LEU 13 -2.538 -4.451 3.518 99 2HD2 LEU 13 HD22 LEU 13 -1.580 -3.017 3.891 100 3HD2 LEU 13 HD23 LEU 13 -2.018 -4.144 5.175 101 H SER 14 HN SER 14 2.622 -7.087 2.868 102 HA SER 14 HA SER 14 2.169 -7.411 0.085 103 1HB SER 14 HB2 SER 14 2.087 -9.343 2.419 104 2HB SER 14 HB1 SER 14 2.129 -9.850 0.733 105 HG SER 14 HG SER 14 4.028 -8.118 1.938 106 H CYS 15 HN CYS 15 0.412 -8.683 -0.952 107 HA CYS 15 HA CYS 15 -2.170 -8.744 0.525 108 1HB CYS 15 HB2 CYS 15 -3.223 -7.460 -1.331 109 2HB CYS 15 HB1 CYS 15 -1.981 -6.520 -0.504 110 H VAL 16 HN VAL 16 -3.557 -10.349 -0.251 111 HA VAL 16 HA VAL 16 -2.543 -11.984 -2.556 112 HB VAL 16 HB VAL 16 -2.322 -13.154 -0.454 113 1HG1 VAL 16 HG11 VAL 16 -4.369 -13.463 1.001 114 2HG1 VAL 16 HG12 VAL 16 -5.173 -12.242 0.013 115 3HG1 VAL 16 HG13 VAL 16 -3.745 -11.814 0.956 116 1HG2 VAL 16 HG21 VAL 16 -4.775 -13.972 -2.030 117 2HG2 VAL 16 HG22 VAL 16 -4.101 -14.965 -0.737 118 3HG2 VAL 16 HG23 VAL 16 -3.137 -14.612 -2.171 119 H ALA 17 HN ALA 17 -5.261 -10.375 -1.058 120 HA ALA 17 HA ALA 17 -7.001 -11.226 -3.351 121 1HB ALA 17 HB1 ALA 17 -8.393 -10.259 -0.994 122 2HB ALA 17 HB2 ALA 17 -7.284 -11.562 -0.571 123 3HB ALA 17 HB3 ALA 17 -8.528 -11.825 -1.794 124 H ASN 18 HN ASN 18 -8.794 -9.519 -3.723 125 HA ASN 18 HA ASN 18 -7.509 -6.861 -3.913 126 1HB ASN 18 HB2 ASN 18 -9.805 -8.342 -5.122 127 2HB ASN 18 HB1 ASN 18 -9.879 -6.579 -5.131 128 1HD2 ASN 18 HD21 ASN 18 -9.566 -8.120 -7.554 129 2HD2 ASN 18 HD22 ASN 18 -8.032 -7.777 -8.195 130 H ASN 19 HN ASN 19 -10.333 -8.379 -2.357 131 HA ASN 19 HA ASN 19 -11.515 -5.958 -1.365 132 1HB ASN 19 HB2 ASN 19 -12.547 -7.641 0.287 133 2HB ASN 19 HB1 ASN 19 -12.819 -7.946 -1.427 134 1HD2 ASN 19 HD21 ASN 19 -13.135 -10.263 -0.508 135 2HD2 ASN 19 HD22 ASN 19 -11.747 -11.230 -0.371 136 H TYR 20 HN TYR 20 -9.225 -8.264 0.154 137 HA TYR 20 HA TYR 20 -9.001 -7.232 2.720 138 1HB TYR 20 HB2 TYR 20 -7.707 -9.129 2.016 139 2HB TYR 20 HB1 TYR 20 -6.911 -8.195 0.748 140 HD1 TYR 20 HD1 TYR 20 -7.578 -6.815 4.099 141 HD2 TYR 20 HD2 TYR 20 -4.644 -8.633 1.542 142 HE1 TYR 20 HE1 TYR 20 -5.788 -6.166 5.690 143 HE2 TYR 20 HE2 TYR 20 -2.855 -7.984 3.133 144 HH TYR 20 HH TYR 20 -3.628 -6.272 6.167 145 H CYS 21 HN CYS 21 -7.456 -5.961 -0.234 146 HA CYS 21 HA CYS 21 -6.173 -3.735 1.141 147 1HB CYS 21 HB2 CYS 21 -6.636 -4.658 -1.685 148 2HB CYS 21 HB1 CYS 21 -5.991 -3.043 -1.392 149 H ASP 22 HN ASP 22 -9.035 -4.081 -0.983 150 HA ASP 22 HA ASP 22 -9.873 -1.438 -1.226 151 1HB ASP 22 HB2 ASP 22 -10.969 -3.435 -2.199 152 2HB ASP 22 HB1 ASP 22 -11.538 -3.901 -0.595 153 H ASN 23 HN ASN 23 -10.133 -3.561 1.603 154 HA ASN 23 HA ASN 23 -11.718 -1.668 3.167 155 1HB ASN 23 HB2 ASN 23 -11.554 -4.242 3.324 156 2HB ASN 23 HB1 ASN 23 -10.033 -3.968 4.175 157 1HD2 ASN 23 HD21 ASN 23 -11.841 -5.179 5.763 158 2HD2 ASN 23 HD22 ASN 23 -12.583 -4.094 6.837 159 H GLN 24 HN GLN 24 -8.400 -2.956 3.668 160 HA GLN 24 HA GLN 24 -7.490 -1.143 5.580 161 1HB GLN 24 HB2 GLN 24 -6.385 -3.170 4.355 162 2HB GLN 24 HB1 GLN 24 -5.803 -1.957 3.215 163 1HG GLN 24 HG2 GLN 24 -4.107 -2.282 4.923 164 2HG GLN 24 HG1 GLN 24 -4.829 -0.689 5.147 165 1HE2 GLN 24 HE21 GLN 24 -5.178 -4.082 6.322 166 2HE2 GLN 24 HE22 GLN 24 -5.679 -3.643 7.883 167 H CYS 25 HN CYS 25 -7.052 -0.749 2.039 168 HA CYS 25 HA CYS 25 -6.042 1.874 2.021 169 1HB CYS 25 HB2 CYS 25 -7.948 0.457 0.128 170 2HB CYS 25 HB1 CYS 25 -7.049 1.919 -0.278 171 H LYS 26 HN LYS 26 -9.480 0.903 1.671 172 HA LYS 26 HA LYS 26 -10.737 3.377 1.629 173 1HB LYS 26 HB2 LYS 26 -11.841 1.174 1.501 174 2HB LYS 26 HB1 LYS 26 -11.480 0.886 3.204 175 1HG LYS 26 HG2 LYS 26 -12.765 3.053 3.683 176 2HG LYS 26 HG1 LYS 26 -13.346 2.946 2.020 177 1HD LYS 26 HD2 LYS 26 -13.630 0.372 3.252 178 2HD LYS 26 HD1 LYS 26 -14.356 1.585 4.307 179 1HE LYS 26 HE2 LYS 26 -15.952 2.200 2.731 180 2HE LYS 26 HE1 LYS 26 -14.931 1.717 1.361 181 1HZ LYS 26 HZ1 LYS 26 -15.103 -0.610 2.407 182 2HZ LYS 26 HZ2 LYS 26 -16.428 -0.027 1.517 183 3HZ LYS 26 HZ3 LYS 26 -16.461 0.006 3.216 184 H MET 27 HN MET 27 -10.112 1.536 4.647 185 HA MET 27 HA MET 27 -10.763 3.498 6.529 186 1HB MET 27 HB2 MET 27 -8.681 1.314 6.392 187 2HB MET 27 HB1 MET 27 -8.856 2.300 7.844 188 1HG MET 27 HG2 MET 27 -10.711 1.183 8.471 189 2HG MET 27 HG1 MET 27 -11.442 1.390 6.879 190 1HE MET 27 HE1 MET 27 -8.636 0.011 8.685 191 2HE MET 27 HE2 MET 27 -8.102 -1.436 7.831 192 3HE MET 27 HE3 MET 27 -9.346 -1.562 9.072 193 H LYS 28 HN LYS 28 -7.973 3.315 4.414 194 HA LYS 28 HA LYS 28 -6.566 5.499 5.843 195 1HB LYS 28 HB2 LYS 28 -5.936 3.857 3.366 196 2HB LYS 28 HB1 LYS 28 -4.824 4.993 4.133 197 1HG LYS 28 HG2 LYS 28 -4.965 3.677 6.237 198 2HG LYS 28 HG1 LYS 28 -6.009 2.515 5.417 199 1HD LYS 28 HD2 LYS 28 -4.267 1.537 4.349 200 2HD LYS 28 HD1 LYS 28 -3.539 3.091 3.938 201 1HE LYS 28 HE2 LYS 28 -3.428 1.940 6.741 202 2HE LYS 28 HE1 LYS 28 -2.160 1.656 5.532 203 1HZ LYS 28 HZ1 LYS 28 -1.854 3.992 5.265 204 2HZ LYS 28 HZ2 LYS 28 -1.776 3.660 6.929 205 3HZ LYS 28 HZ3 LYS 28 -3.180 4.348 6.262 206 H LYS 29 HN LYS 29 -9.085 6.261 4.759 207 HA LYS 29 HA LYS 29 -10.086 7.771 3.227 208 1HB LYS 29 HB2 LYS 29 -8.451 9.014 4.769 209 2HB LYS 29 HB1 LYS 29 -7.343 9.036 3.396 210 1HG LYS 29 HG2 LYS 29 -9.383 10.003 2.083 211 2HG LYS 29 HG1 LYS 29 -10.016 10.386 3.684 212 1HD LYS 29 HD2 LYS 29 -7.312 11.191 3.716 213 2HD LYS 29 HD1 LYS 29 -7.964 11.752 2.176 214 1HE LYS 29 HE2 LYS 29 -9.690 13.013 3.244 215 2HE LYS 29 HE1 LYS 29 -9.415 12.205 4.800 216 1HZ LYS 29 HZ1 LYS 29 -7.748 13.583 5.267 217 2HZ LYS 29 HZ2 LYS 29 -8.197 14.515 3.920 218 3HZ LYS 29 HZ3 LYS 29 -7.003 13.315 3.766 219 H ALA 30 HN ALA 30 -8.595 5.476 1.963 220 HA ALA 30 HA ALA 30 -7.371 6.684 -0.446 221 1HB ALA 30 HB1 ALA 30 -7.964 3.771 0.125 222 2HB ALA 30 HB2 ALA 30 -6.580 4.601 0.838 223 3HB ALA 30 HB3 ALA 30 -6.704 4.438 -0.913 224 H SER 31 HN SER 31 -8.195 6.044 -2.618 225 HA SER 31 HA SER 31 -11.182 5.781 -2.611 226 1HB SER 31 HB2 SER 31 -11.168 7.324 -4.325 227 2HB SER 31 HB1 SER 31 -9.641 7.775 -3.570 228 HG SER 31 HG SER 31 -9.975 7.011 -6.015 229 H GLY 32 HN GLY 32 -8.203 4.697 -4.239 230 1HA GLY 32 HA2 GLY 32 -9.788 2.454 -5.429 231 2HA GLY 32 HA1 GLY 32 -8.335 3.124 -6.174 232 H GLY 33 HN GLY 33 -9.537 1.136 -3.535 233 1HA GLY 33 HA2 GLY 33 -6.757 0.461 -2.745 234 2HA GLY 33 HA1 GLY 33 -8.213 0.006 -1.860 235 H HIS 34 HN HIS 34 -5.800 -1.268 -3.672 236 HA HIS 34 HA HIS 34 -7.321 -3.737 -4.162 237 1HB HIS 34 HB2 HIS 34 -7.162 -3.702 -6.517 238 2HB HIS 34 HB1 HIS 34 -7.585 -2.039 -6.121 239 HD1 HIS 34 HD1 HIS 34 -4.580 -1.385 -5.085 240 HD2 HIS 34 HD2 HIS 34 -5.665 -2.912 -8.810 241 HE1 HIS 34 HE1 HIS 34 -2.693 -0.809 -6.675 242 H CYS 35 HN CYS 35 -5.730 -5.441 -5.116 243 HA CYS 35 HA CYS 35 -3.102 -5.067 -3.754 244 1HB CYS 35 HB2 CYS 35 -4.367 -6.966 -3.019 245 2HB CYS 35 HB1 CYS 35 -4.738 -7.443 -4.676 246 H TYR 36 HN TYR 36 -1.172 -5.244 -4.890 247 HA TYR 36 HA TYR 36 -1.137 -6.206 -7.675 248 1HB TYR 36 HB2 TYR 36 -1.705 -3.528 -7.110 249 2HB TYR 36 HB1 TYR 36 0.012 -3.525 -7.520 250 HD1 TYR 36 HD1 TYR 36 -3.382 -3.989 -8.762 251 HD2 TYR 36 HD2 TYR 36 0.781 -4.467 -9.704 252 HE1 TYR 36 HE1 TYR 36 -3.954 -4.236 -11.163 253 HE2 TYR 36 HE2 TYR 36 0.210 -4.713 -12.105 254 HH TYR 36 HH TYR 36 -2.408 -3.758 -13.478 255 H ALA 37 HN ALA 37 1.039 -6.601 -8.392 256 HA ALA 37 HA ALA 37 3.283 -7.254 -8.018 257 1HB ALA 37 HB1 ALA 37 4.419 -5.327 -6.566 258 2HB ALA 37 HB2 ALA 37 2.869 -4.530 -6.842 259 3HB ALA 37 HB3 ALA 37 3.869 -5.015 -8.212 260 H MET 38 HN MET 38 1.273 -8.303 -6.128 261 HA MET 38 HA MET 38 1.276 -9.547 -4.117 262 1HB MET 38 HB2 MET 38 4.026 -9.273 -5.070 263 2HB MET 38 HB1 MET 38 3.949 -9.479 -3.320 264 1HG MET 38 HG2 MET 38 3.895 -11.697 -3.924 265 2HG MET 38 HG1 MET 38 2.167 -11.357 -4.024 266 1HE MET 38 HE1 MET 38 2.551 -13.709 -6.967 267 2HE MET 38 HE2 MET 38 2.150 -13.485 -5.267 268 3HE MET 38 HE3 MET 38 3.822 -13.779 -5.738 269 H SER 39 HN SER 39 1.582 -6.357 -4.264 270 HA SER 39 HA SER 39 1.937 -6.052 -1.299 271 1HB SER 39 HB2 SER 39 2.978 -4.449 -3.636 272 2HB SER 39 HB1 SER 39 2.857 -3.742 -2.027 273 HG SER 39 HG SER 39 4.309 -5.190 -1.276 274 H CYS 40 HN CYS 40 0.289 -4.922 -0.306 275 HA CYS 40 HA CYS 40 -2.155 -4.330 -1.663 276 1HB CYS 40 HB2 CYS 40 -1.592 -4.782 0.829 277 2HB CYS 40 HB1 CYS 40 -1.217 -3.060 0.913 278 H TYR 41 HN TYR 41 -2.919 -2.418 -2.567 279 HA TYR 41 HA TYR 41 -1.157 0.002 -2.404 280 1HB TYR 41 HB2 TYR 41 -0.779 -1.295 -4.487 281 2HB TYR 41 HB1 TYR 41 -2.501 -1.186 -4.853 282 HD1 TYR 41 HD1 TYR 41 -3.495 0.860 -5.653 283 HD2 TYR 41 HD2 TYR 41 0.643 0.733 -4.513 284 HE1 TYR 41 HE1 TYR 41 -3.138 3.076 -6.707 285 HE2 TYR 41 HE2 TYR 41 1.001 2.949 -5.568 286 HH TYR 41 HH TYR 41 -0.032 4.352 -7.295 287 H CYS 42 HN CYS 42 -2.315 2.005 -2.590 288 HA CYS 42 HA CYS 42 -5.299 1.813 -2.679 289 1HB CYS 42 HB2 CYS 42 -3.810 3.528 -0.684 290 2HB CYS 42 HB1 CYS 42 -5.498 3.027 -0.645 291 H GLU 43 HN GLU 43 -6.224 3.527 -3.799 292 HA GLU 43 HA GLU 43 -4.349 5.604 -4.863 293 1HB GLU 43 HB2 GLU 43 -5.856 3.859 -6.208 294 2HB GLU 43 HB1 GLU 43 -7.094 5.087 -5.945 295 1HG GLU 43 HG2 GLU 43 -5.925 6.714 -7.163 296 2HG GLU 43 HG1 GLU 43 -4.384 5.874 -6.986 297 H GLY 44 HN GLY 44 -4.519 7.196 -3.203 298 1HA GLY 44 HA2 GLY 44 -6.043 9.298 -3.116 299 2HA GLY 44 HA1 GLY 44 -7.278 8.154 -2.593 300 H LEU 45 HN LEU 45 -4.385 7.056 -1.368 301 HA LEU 45 HA LEU 45 -4.918 7.282 1.330 302 1HB LEU 45 HB2 LEU 45 -2.307 7.529 -0.193 303 2HB LEU 45 HB1 LEU 45 -2.379 7.306 1.555 304 HG LEU 45 HG LEU 45 -3.727 5.433 -0.406 305 1HD1 LEU 45 HD11 LEU 45 -1.822 3.929 -0.054 306 2HD1 LEU 45 HD12 LEU 45 -1.048 5.124 0.987 307 3HD1 LEU 45 HD13 LEU 45 -1.260 5.457 -0.732 308 1HD2 LEU 45 HD21 LEU 45 -3.968 3.989 1.496 309 2HD2 LEU 45 HD22 LEU 45 -4.493 5.587 2.025 310 3HD2 LEU 45 HD23 LEU 45 -2.895 4.991 2.473 311 HA PRO 46 HA PRO 46 -4.633 11.521 2.430 312 1HB PRO 46 HB2 PRO 46 -3.495 11.382 4.917 313 2HB PRO 46 HB1 PRO 46 -5.174 10.904 4.595 314 1HG PRO 46 HG2 PRO 46 -2.757 9.208 4.940 315 2HG PRO 46 HG1 PRO 46 -4.422 8.924 5.467 316 1HD PRO 46 HD2 PRO 46 -3.295 7.749 3.265 317 2HD PRO 46 HD1 PRO 46 -5.039 8.026 3.459 318 H GLU 47 HN GLU 47 -3.168 13.103 1.864 319 HA GLU 47 HA GLU 47 -0.619 12.681 0.864 320 1HB GLU 47 HB2 GLU 47 -1.881 14.755 0.648 321 2HB GLU 47 HB1 GLU 47 -1.757 15.048 2.383 322 1HG GLU 47 HG2 GLU 47 0.249 16.025 2.120 323 2HG GLU 47 HG1 GLU 47 0.872 14.598 1.292 324 H ASN 48 HN ASN 48 -1.568 12.745 4.231 325 HA ASN 48 HA ASN 48 1.242 13.010 5.151 326 1HB ASN 48 HB2 ASN 48 0.179 13.183 7.346 327 2HB ASN 48 HB1 ASN 48 -0.677 14.223 6.206 328 1HD2 ASN 48 HD21 ASN 48 -2.909 13.999 6.321 329 2HD2 ASN 48 HD22 ASN 48 -3.728 12.586 6.783 330 H ALA 49 HN ALA 49 -0.247 10.518 3.803 331 HA ALA 49 HA ALA 49 0.020 8.466 5.881 332 1HB ALA 49 HB1 ALA 49 -1.009 7.130 4.297 333 2HB ALA 49 HB2 ALA 49 -0.110 7.847 2.960 334 3HB ALA 49 HB3 ALA 49 -1.475 8.710 3.668 335 H LYS 50 HN LYS 50 1.578 6.681 5.695 336 HA LYS 50 HA LYS 50 4.180 7.599 4.548 337 1HB LYS 50 HB2 LYS 50 3.798 7.037 7.023 338 2HB LYS 50 HB1 LYS 50 3.655 5.355 6.511 339 1HG LYS 50 HG2 LYS 50 5.886 5.275 5.737 340 2HG LYS 50 HG1 LYS 50 6.026 7.033 5.701 341 1HD LYS 50 HD2 LYS 50 5.855 7.084 8.175 342 2HD LYS 50 HD1 LYS 50 5.774 5.321 8.192 343 1HE LYS 50 HE2 LYS 50 8.086 6.013 8.624 344 2HE LYS 50 HE1 LYS 50 8.008 5.282 7.008 345 1HZ LYS 50 HZ1 LYS 50 7.383 8.117 7.172 346 2HZ LYS 50 HZ2 LYS 50 8.254 7.263 5.988 347 3HZ LYS 50 HZ3 LYS 50 9.006 7.709 7.444 348 H VAL 51 HN VAL 51 4.033 6.844 2.394 349 HA VAL 51 HA VAL 51 3.715 3.875 2.079 350 HB VAL 51 HB VAL 51 2.849 4.516 -0.208 351 1HG1 VAL 51 HG11 VAL 51 1.581 4.967 2.398 352 2HG1 VAL 51 HG12 VAL 51 0.958 4.125 0.979 353 3HG1 VAL 51 HG13 VAL 51 0.818 5.880 1.096 354 1HG2 VAL 51 HG21 VAL 51 4.011 6.833 0.007 355 2HG2 VAL 51 HG22 VAL 51 2.581 7.297 0.929 356 3HG2 VAL 51 HG23 VAL 51 2.418 6.774 -0.747 357 H SER 52 HN SER 52 4.897 3.069 0.078 358 HA SER 52 HA SER 52 7.621 4.224 0.017 359 1HB SER 52 HB2 SER 52 7.369 1.836 0.314 360 2HB SER 52 HB1 SER 52 6.307 1.724 -1.086 361 HG SER 52 HG SER 52 8.855 2.834 -1.412 362 H ASP 53 HN ASP 53 8.396 5.398 -1.712 363 HA ASP 53 HA ASP 53 6.552 6.022 -3.932 364 1HB ASP 53 HB2 ASP 53 8.377 7.653 -4.466 365 2HB ASP 53 HB1 ASP 53 7.812 7.785 -2.800 366 H SER 54 HN SER 54 8.059 3.328 -3.578 367 HA SER 54 HA SER 54 9.179 3.263 -6.356 368 1HB SER 54 HB2 SER 54 10.797 1.546 -5.208 369 2HB SER 54 HB1 SER 54 11.083 3.270 -4.986 370 HG SER 54 HG SER 54 10.448 1.378 -3.169 371 H ALA 55 HN ALA 55 8.030 1.777 -7.535 372 HA ALA 55 HA ALA 55 6.080 0.005 -6.435 373 1HB ALA 55 HB1 ALA 55 7.545 -0.325 -9.060 374 2HB ALA 55 HB2 ALA 55 6.372 0.966 -8.799 375 3HB ALA 55 HB3 ALA 55 5.865 -0.721 -8.699 376 H THR 56 HN THR 56 9.513 -0.289 -6.636 377 HA THR 56 HA THR 56 9.312 -3.102 -5.665 378 HB THR 56 HB THR 56 9.637 -3.292 -8.053 379 HG1 THR 56 HG1 THR 56 11.129 -4.397 -6.468 380 1HG2 THR 56 HG21 THR 56 12.015 -1.443 -7.781 381 2HG2 THR 56 HG22 THR 56 10.418 -0.891 -8.286 382 3HG2 THR 56 HG23 THR 56 11.299 -2.060 -9.270 383 H ASN 57 HN ASN 57 10.316 -2.904 -3.680 384 HA ASN 57 HA ASN 57 13.103 -1.963 -3.598 385 1HB ASN 57 HB2 ASN 57 12.576 -0.220 -1.904 386 2HB ASN 57 HB1 ASN 57 11.784 0.108 -3.446 387 1HD2 ASN 57 HD21 ASN 57 10.964 0.815 -0.574 388 2HD2 ASN 57 HD22 ASN 57 9.381 0.220 -0.434 389 H ILE 58 HN ILE 58 14.142 -2.575 -1.595 390 HA ILE 58 HA ILE 58 12.731 -4.777 -0.177 391 HB ILE 58 HB ILE 58 15.589 -3.849 -0.505 392 1HG1 ILE 58 HG12 ILE 58 14.299 -6.533 -1.062 393 2HG1 ILE 58 HG11 ILE 58 14.381 -5.243 -2.262 394 1HG2 ILE 58 HG21 ILE 58 15.614 -6.300 0.852 395 2HG2 ILE 58 HG22 ILE 58 14.416 -5.330 1.709 396 3HG2 ILE 58 HG23 ILE 58 16.063 -4.730 1.517 397 1HD1 ILE 58 HD11 ILE 58 16.658 -6.752 -0.981 398 2HD1 ILE 58 HD12 ILE 58 16.913 -5.191 -1.762 399 3HD1 ILE 58 HD13 ILE 58 16.301 -6.556 -2.698 400 H CYS 59 HN CYS 59 12.400 -4.722 2.069 401 HA CYS 59 HA CYS 59 12.839 -2.065 3.379 402 1HB CYS 59 HB2 CYS 59 10.518 -2.804 3.134 403 2HB CYS 59 HB1 CYS 59 10.903 -4.348 3.895 404 H GLY 60 HN GLY 60 14.530 -2.065 4.807 405 1HA GLY 60 HA2 GLY 60 14.780 -4.067 6.871 406 2HA GLY 60 HA1 GLY 60 16.031 -4.277 5.645 Start of MODEL 12 1 1H LYS 1 HT1 LYS 1 -3.153 11.071 -2.680 2 2H LYS 1 HT2 LYS 1 -4.425 10.627 -3.714 3 3H LYS 1 HT3 LYS 1 -3.550 12.054 -4.004 4 HA LYS 1 HA LYS 1 -2.658 10.572 -5.555 5 1HB LYS 1 HB2 LYS 1 -0.404 10.483 -4.778 6 2HB LYS 1 HB1 LYS 1 -1.136 11.822 -3.894 7 1HG LYS 1 HG2 LYS 1 -1.687 10.050 -2.080 8 2HG LYS 1 HG1 LYS 1 -0.493 9.047 -2.903 9 1HD LYS 1 HD2 LYS 1 1.174 10.884 -2.661 10 2HD LYS 1 HD1 LYS 1 -0.019 11.811 -1.747 11 1HE LYS 1 HE2 LYS 1 -0.090 10.116 -0.003 12 2HE LYS 1 HE1 LYS 1 0.955 9.042 -0.954 13 1HZ LYS 1 HZ1 LYS 1 2.559 10.985 -1.012 14 2HZ LYS 1 HZ2 LYS 1 2.406 10.175 0.474 15 3HZ LYS 1 HZ3 LYS 1 1.633 11.669 0.234 16 H ASP 2 HN ASP 2 -1.469 8.376 -5.790 17 HA ASP 2 HA ASP 2 -2.838 6.282 -4.128 18 1HB ASP 2 HB2 ASP 2 -2.061 6.030 -7.042 19 2HB ASP 2 HB1 ASP 2 -3.219 5.055 -6.137 20 H GLY 3 HN GLY 3 -1.558 4.299 -3.848 21 1HA GLY 3 HA2 GLY 3 0.948 3.703 -4.892 22 2HA GLY 3 HA1 GLY 3 1.291 4.849 -3.600 23 H TYR 4 HN TYR 4 2.461 2.930 -2.723 24 HA TYR 4 HA TYR 4 0.666 0.918 -1.433 25 1HB TYR 4 HB2 TYR 4 3.683 1.008 -1.780 26 2HB TYR 4 HB1 TYR 4 2.740 -0.377 -1.230 27 HD1 TYR 4 HD1 TYR 4 1.526 -1.764 -2.772 28 HD2 TYR 4 HD2 TYR 4 3.457 1.830 -4.125 29 HE1 TYR 4 HE1 TYR 4 1.164 -2.454 -5.126 30 HE2 TYR 4 HE2 TYR 4 3.091 1.138 -6.478 31 HH TYR 4 HH TYR 4 1.802 -2.041 -7.280 32 HA PRO 5 HA PRO 5 1.372 3.150 2.343 33 1HB PRO 5 HB2 PRO 5 0.158 1.356 4.013 34 2HB PRO 5 HB1 PRO 5 -0.747 2.467 2.967 35 1HG PRO 5 HG2 PRO 5 -0.172 -0.424 2.605 36 2HG PRO 5 HG1 PRO 5 -1.620 0.503 2.185 37 1HD PRO 5 HD2 PRO 5 0.302 -0.273 0.381 38 2HD PRO 5 HD1 PRO 5 -0.792 1.109 0.150 39 H VAL 6 HN VAL 6 2.873 2.999 4.076 40 HA VAL 6 HA VAL 6 4.657 0.595 3.999 41 HB VAL 6 HB VAL 6 6.282 2.201 5.027 42 1HG1 VAL 6 HG11 VAL 6 6.510 2.078 2.703 43 2HG1 VAL 6 HG12 VAL 6 6.233 3.802 2.952 44 3HG1 VAL 6 HG13 VAL 6 4.912 2.765 2.412 45 1HG2 VAL 6 HG21 VAL 6 5.589 4.177 5.868 46 2HG2 VAL 6 HG22 VAL 6 3.933 3.634 5.594 47 3HG2 VAL 6 HG23 VAL 6 4.764 4.587 4.365 48 H ASP 7 HN ASP 7 5.746 0.239 6.241 49 HA ASP 7 HA ASP 7 3.587 0.233 8.320 50 1HB ASP 7 HB2 ASP 7 4.729 -1.782 9.129 51 2HB ASP 7 HB1 ASP 7 4.408 -1.937 7.402 52 H SER 8 HN SER 8 4.994 -0.224 10.582 53 HA SER 8 HA SER 8 6.046 2.306 11.343 54 1HB SER 8 HB2 SER 8 6.617 1.116 13.393 55 2HB SER 8 HB1 SER 8 5.084 0.494 12.790 56 HG SER 8 HG SER 8 6.650 -1.135 13.401 57 H LYS 9 HN LYS 9 7.564 -0.349 9.693 58 HA LYS 9 HA LYS 9 10.294 0.571 10.414 59 1HB LYS 9 HB2 LYS 9 9.484 -1.856 10.299 60 2HB LYS 9 HB1 LYS 9 9.456 -1.656 8.546 61 1HG LYS 9 HG2 LYS 9 11.710 -1.779 8.389 62 2HG LYS 9 HG1 LYS 9 11.942 -0.695 9.761 63 1HD LYS 9 HD2 LYS 9 11.046 -2.843 11.095 64 2HD LYS 9 HD1 LYS 9 11.756 -3.668 9.706 65 1HE LYS 9 HE2 LYS 9 13.555 -1.594 10.618 66 2HE LYS 9 HE1 LYS 9 13.138 -2.675 11.963 67 1HZ LYS 9 HZ1 LYS 9 14.134 -3.456 9.276 68 2HZ LYS 9 HZ2 LYS 9 13.508 -4.561 10.404 69 3HZ LYS 9 HZ3 LYS 9 14.918 -3.682 10.763 70 H GLY 10 HN GLY 10 7.994 0.739 7.771 71 1HA GLY 10 HA2 GLY 10 8.341 2.605 6.155 72 2HA GLY 10 HA1 GLY 10 10.059 2.204 6.177 73 H CYS 11 HN CYS 11 8.410 -0.669 6.304 74 HA CYS 11 HA CYS 11 8.910 -1.164 3.422 75 1HB CYS 11 HB2 CYS 11 8.043 -3.054 5.631 76 2HB CYS 11 HB1 CYS 11 8.803 -3.485 4.100 77 H LYS 12 HN LYS 12 7.249 -1.814 1.995 78 HA LYS 12 HA LYS 12 4.615 -0.802 2.400 79 1HB LYS 12 HB2 LYS 12 5.779 -2.890 0.532 80 2HB LYS 12 HB1 LYS 12 4.163 -2.208 0.346 81 1HG LYS 12 HG2 LYS 12 4.954 -0.163 -0.338 82 2HG LYS 12 HG1 LYS 12 6.403 -0.272 0.662 83 1HD LYS 12 HD2 LYS 12 7.016 -0.435 -1.704 84 2HD LYS 12 HD1 LYS 12 7.324 -1.973 -0.898 85 1HE LYS 12 HE2 LYS 12 4.692 -2.246 -1.729 86 2HE LYS 12 HE1 LYS 12 5.454 -1.374 -3.074 87 1HZ LYS 12 HZ1 LYS 12 5.904 -3.651 -3.440 88 2HZ LYS 12 HZ2 LYS 12 6.342 -3.910 -1.819 89 3HZ LYS 12 HZ3 LYS 12 7.344 -2.990 -2.836 90 H LEU 13 HN LEU 13 2.611 -2.011 2.684 91 HA LEU 13 HA LEU 13 2.870 -4.226 4.600 92 1HB LEU 13 HB2 LEU 13 1.260 -2.167 4.565 93 2HB LEU 13 HB1 LEU 13 0.318 -3.133 3.429 94 HG LEU 13 HG LEU 13 0.082 -4.920 5.048 95 1HD1 LEU 13 HD11 LEU 13 1.057 -4.036 7.456 96 2HD1 LEU 13 HD12 LEU 13 2.299 -3.467 6.341 97 3HD1 LEU 13 HD13 LEU 13 1.889 -5.181 6.403 98 1HD2 LEU 13 HD21 LEU 13 -0.369 -2.273 6.460 99 2HD2 LEU 13 HD22 LEU 13 -1.234 -3.782 6.747 100 3HD2 LEU 13 HD23 LEU 13 -1.439 -2.926 5.220 101 H SER 14 HN SER 14 3.537 -6.069 3.418 102 HA SER 14 HA SER 14 2.535 -6.861 0.862 103 1HB SER 14 HB2 SER 14 3.812 -8.247 3.218 104 2HB SER 14 HB1 SER 14 3.346 -9.153 1.781 105 HG SER 14 HG SER 14 4.857 -8.158 0.648 106 H CYS 15 HN CYS 15 0.556 -7.711 0.325 107 HA CYS 15 HA CYS 15 -1.152 -8.778 2.551 108 1HB CYS 15 HB2 CYS 15 -3.033 -7.901 1.081 109 2HB CYS 15 HB1 CYS 15 -1.985 -6.658 1.765 110 H VAL 16 HN VAL 16 -3.120 -10.001 1.280 111 HA VAL 16 HA VAL 16 -1.999 -11.726 -0.878 112 HB VAL 16 HB VAL 16 -1.451 -12.855 1.195 113 1HG1 VAL 16 HG11 VAL 16 -4.235 -13.139 2.137 114 2HG1 VAL 16 HG12 VAL 16 -3.584 -11.505 2.258 115 3HG1 VAL 16 HG13 VAL 16 -2.759 -12.843 3.054 116 1HG2 VAL 16 HG21 VAL 16 -3.005 -14.876 1.020 117 2HG2 VAL 16 HG22 VAL 16 -2.207 -14.393 -0.476 118 3HG2 VAL 16 HG23 VAL 16 -3.896 -13.968 -0.202 119 H ALA 17 HN ALA 17 -4.799 -10.740 1.073 120 HA ALA 17 HA ALA 17 -6.640 -11.717 -1.065 121 1HB ALA 17 HB1 ALA 17 -6.905 -10.923 1.841 122 2HB ALA 17 HB2 ALA 17 -7.207 -12.501 1.115 123 3HB ALA 17 HB3 ALA 17 -8.319 -11.166 0.816 124 H ASN 18 HN ASN 18 -8.499 -10.183 -1.552 125 HA ASN 18 HA ASN 18 -7.435 -7.459 -2.001 126 1HB ASN 18 HB2 ASN 18 -9.792 -9.104 -2.922 127 2HB ASN 18 HB1 ASN 18 -9.714 -7.373 -3.258 128 1HD2 ASN 18 HD21 ASN 18 -9.264 -10.034 -4.939 129 2HD2 ASN 18 HD22 ASN 18 -7.860 -9.666 -5.820 130 H ASN 19 HN ASN 19 -10.428 -8.893 -0.638 131 HA ASN 19 HA ASN 19 -11.735 -6.670 0.349 132 1HB ASN 19 HB2 ASN 19 -12.366 -8.268 2.262 133 2HB ASN 19 HB1 ASN 19 -12.641 -8.864 0.625 134 1HD2 ASN 19 HD21 ASN 19 -11.971 -10.996 0.437 135 2HD2 ASN 19 HD22 ASN 19 -10.614 -11.668 1.204 136 H TYR 20 HN TYR 20 -8.734 -8.063 1.573 137 HA TYR 20 HA TYR 20 -8.667 -6.694 4.104 138 1HB TYR 20 HB2 TYR 20 -7.245 -8.571 3.742 139 2HB TYR 20 HB1 TYR 20 -6.625 -7.906 2.231 140 HD1 TYR 20 HD1 TYR 20 -4.308 -7.662 2.614 141 HD2 TYR 20 HD2 TYR 20 -7.115 -6.193 5.513 142 HE1 TYR 20 HE1 TYR 20 -2.458 -6.566 3.849 143 HE2 TYR 20 HE2 TYR 20 -5.266 -5.098 6.749 144 HH TYR 20 HH TYR 20 -1.951 -5.111 5.484 145 H CYS 21 HN CYS 21 -7.151 -5.926 0.946 146 HA CYS 21 HA CYS 21 -6.068 -3.392 1.803 147 1HB CYS 21 HB2 CYS 21 -6.633 -4.784 -0.811 148 2HB CYS 21 HB1 CYS 21 -6.021 -3.130 -0.797 149 H ASP 22 HN ASP 22 -9.073 -4.339 0.136 150 HA ASP 22 HA ASP 22 -10.091 -1.821 -0.577 151 1HB ASP 22 HB2 ASP 22 -10.969 -4.260 -0.864 152 2HB ASP 22 HB1 ASP 22 -11.777 -3.984 0.679 153 H ASN 23 HN ASN 23 -10.706 -3.548 2.515 154 HA ASN 23 HA ASN 23 -12.009 -1.302 3.771 155 1HB ASN 23 HB2 ASN 23 -12.456 -3.486 4.589 156 2HB ASN 23 HB1 ASN 23 -10.741 -3.888 4.684 157 1HD2 ASN 23 HD21 ASN 23 -11.164 -4.441 7.018 158 2HD2 ASN 23 HD22 ASN 23 -11.244 -3.190 8.163 159 H GLN 24 HN GLN 24 -8.804 -2.757 4.479 160 HA GLN 24 HA GLN 24 -7.746 -0.890 6.218 161 1HB GLN 24 HB2 GLN 24 -6.653 -2.955 5.368 162 2HB GLN 24 HB1 GLN 24 -6.369 -2.152 3.823 163 1HG GLN 24 HG2 GLN 24 -4.432 -1.378 4.674 164 2HG GLN 24 HG1 GLN 24 -5.390 -0.370 5.759 165 1HE2 GLN 24 HE21 GLN 24 -5.587 -1.031 7.977 166 2HE2 GLN 24 HE22 GLN 24 -4.725 -2.345 8.619 167 H CYS 25 HN CYS 25 -7.394 -0.663 2.646 168 HA CYS 25 HA CYS 25 -6.189 1.850 2.457 169 1HB CYS 25 HB2 CYS 25 -8.312 0.487 0.779 170 2HB CYS 25 HB1 CYS 25 -7.486 1.955 0.259 171 H LYS 26 HN LYS 26 -9.731 1.231 2.442 172 HA LYS 26 HA LYS 26 -10.705 3.835 2.388 173 1HB LYS 26 HB2 LYS 26 -11.997 1.683 2.473 174 2HB LYS 26 HB1 LYS 26 -11.648 1.588 4.201 175 1HG LYS 26 HG2 LYS 26 -12.719 3.857 4.460 176 2HG LYS 26 HG1 LYS 26 -13.220 3.749 2.772 177 1HD LYS 26 HD2 LYS 26 -14.652 1.919 3.188 178 2HD LYS 26 HD1 LYS 26 -13.878 1.552 4.731 179 1HE LYS 26 HE2 LYS 26 -15.939 2.629 5.308 180 2HE LYS 26 HE1 LYS 26 -14.704 3.889 5.490 181 1HZ LYS 26 HZ1 LYS 26 -16.894 3.974 3.816 182 2HZ LYS 26 HZ2 LYS 26 -15.573 3.684 2.787 183 3HZ LYS 26 HZ3 LYS 26 -15.574 5.039 3.813 184 H MET 27 HN MET 27 -9.877 2.024 5.377 185 HA MET 27 HA MET 27 -10.212 4.081 7.255 186 1HB MET 27 HB2 MET 27 -8.141 1.870 7.026 187 2HB MET 27 HB1 MET 27 -8.420 2.799 8.500 188 1HG MET 27 HG2 MET 27 -10.953 2.090 8.011 189 2HG MET 27 HG1 MET 27 -10.152 0.747 7.196 190 1HE MET 27 HE1 MET 27 -7.748 -0.616 9.704 191 2HE MET 27 HE2 MET 27 -8.108 -0.176 8.036 192 3HE MET 27 HE3 MET 27 -9.036 -1.449 8.824 193 H LYS 28 HN LYS 28 -7.708 3.621 4.851 194 HA LYS 28 HA LYS 28 -6.025 5.790 5.982 195 1HB LYS 28 HB2 LYS 28 -5.810 3.790 3.723 196 2HB LYS 28 HB1 LYS 28 -4.625 5.079 3.935 197 1HG LYS 28 HG2 LYS 28 -5.359 3.022 6.040 198 2HG LYS 28 HG1 LYS 28 -3.899 2.989 5.051 199 1HD LYS 28 HD2 LYS 28 -2.883 4.353 6.519 200 2HD LYS 28 HD1 LYS 28 -4.097 5.591 6.195 201 1HE LYS 28 HE2 LYS 28 -4.150 5.115 8.579 202 2HE LYS 28 HE1 LYS 28 -5.606 4.393 7.866 203 1HZ LYS 28 HZ1 LYS 28 -4.241 2.879 9.333 204 2HZ LYS 28 HZ2 LYS 28 -3.052 2.912 8.120 205 3HZ LYS 28 HZ3 LYS 28 -4.595 2.286 7.784 206 H LYS 29 HN LYS 29 -8.708 6.433 4.945 207 HA LYS 29 HA LYS 29 -9.752 7.973 3.502 208 1HB LYS 29 HB2 LYS 29 -7.669 9.084 4.735 209 2HB LYS 29 HB1 LYS 29 -7.057 9.200 3.085 210 1HG LYS 29 HG2 LYS 29 -8.236 11.173 3.175 211 2HG LYS 29 HG1 LYS 29 -9.529 10.106 2.632 212 1HD LYS 29 HD2 LYS 29 -10.114 9.745 5.071 213 2HD LYS 29 HD1 LYS 29 -8.977 11.037 5.461 214 1HE LYS 29 HE2 LYS 29 -10.321 12.429 3.699 215 2HE LYS 29 HE1 LYS 29 -11.588 11.215 3.964 216 1HZ LYS 29 HZ1 LYS 29 -10.768 11.683 6.466 217 2HZ LYS 29 HZ2 LYS 29 -12.078 12.485 5.740 218 3HZ LYS 29 HZ3 LYS 29 -10.547 13.220 5.785 219 H ALA 30 HN ALA 30 -8.822 5.543 2.186 220 HA ALA 30 HA ALA 30 -7.847 6.597 -0.444 221 1HB ALA 30 HB1 ALA 30 -7.614 4.062 1.102 222 2HB ALA 30 HB2 ALA 30 -6.418 4.871 0.090 223 3HB ALA 30 HB3 ALA 30 -7.696 3.908 -0.652 224 H SER 31 HN SER 31 -8.850 5.335 -2.366 225 HA SER 31 HA SER 31 -11.772 4.875 -1.853 226 1HB SER 31 HB2 SER 31 -12.207 6.463 -3.413 227 2HB SER 31 HB1 SER 31 -10.508 6.906 -3.288 228 HG SER 31 HG SER 31 -11.125 6.420 -5.439 229 H GLY 32 HN GLY 32 -8.850 3.804 -3.442 230 1HA GLY 32 HA2 GLY 32 -10.365 1.439 -4.473 231 2HA GLY 32 HA1 GLY 32 -9.073 2.185 -5.415 232 H GLY 33 HN GLY 33 -9.780 0.290 -2.532 233 1HA GLY 33 HA2 GLY 33 -6.860 -0.128 -2.114 234 2HA GLY 33 HA1 GLY 33 -8.118 -0.517 -0.943 235 H HIS 34 HN HIS 34 -5.953 -1.957 -2.910 236 HA HIS 34 HA HIS 34 -7.438 -4.501 -2.880 237 1HB HIS 34 HB2 HIS 34 -7.617 -4.751 -5.207 238 2HB HIS 34 HB1 HIS 34 -7.953 -3.034 -5.000 239 HD1 HIS 34 HD1 HIS 34 -6.531 -1.486 -6.354 240 HD2 HIS 34 HD2 HIS 34 -4.717 -5.208 -5.868 241 HE1 HIS 34 HE1 HIS 34 -4.414 -1.439 -7.743 242 H CYS 35 HN CYS 35 -5.993 -6.323 -3.202 243 HA CYS 35 HA CYS 35 -3.178 -5.684 -2.558 244 1HB CYS 35 HB2 CYS 35 -4.607 -7.400 -1.375 245 2HB CYS 35 HB1 CYS 35 -4.587 -8.354 -2.859 246 H TYR 36 HN TYR 36 -1.458 -6.074 -3.944 247 HA TYR 36 HA TYR 36 -1.826 -7.650 -6.409 248 1HB TYR 36 HB2 TYR 36 -2.489 -4.983 -6.442 249 2HB TYR 36 HB1 TYR 36 -0.796 -4.934 -6.939 250 HD1 TYR 36 HD1 TYR 36 -3.948 -6.861 -7.608 251 HD2 TYR 36 HD2 TYR 36 -0.263 -5.310 -9.182 252 HE1 TYR 36 HE1 TYR 36 -4.577 -7.661 -9.870 253 HE2 TYR 36 HE2 TYR 36 -0.893 -6.109 -11.443 254 HH TYR 36 HH TYR 36 -2.313 -7.596 -12.535 255 H ALA 37 HN ALA 37 0.153 -8.474 -7.094 256 HA ALA 37 HA ALA 37 2.466 -8.944 -7.035 257 1HB ALA 37 HB1 ALA 37 3.861 -6.999 -7.010 258 2HB ALA 37 HB2 ALA 37 2.701 -6.097 -6.035 259 3HB ALA 37 HB3 ALA 37 2.333 -6.474 -7.718 260 H MET 38 HN MET 38 0.715 -9.232 -4.587 261 HA MET 38 HA MET 38 1.109 -10.068 -2.405 262 1HB MET 38 HB2 MET 38 3.483 -10.370 -3.791 263 2HB MET 38 HB1 MET 38 3.978 -9.424 -2.387 264 1HG MET 38 HG2 MET 38 3.965 -11.330 -1.186 265 2HG MET 38 HG1 MET 38 2.214 -11.376 -1.386 266 1HE MET 38 HE1 MET 38 4.909 -11.879 -4.479 267 2HE MET 38 HE2 MET 38 5.492 -13.389 -3.782 268 3HE MET 38 HE3 MET 38 5.533 -11.911 -2.825 269 H SER 39 HN SER 39 1.540 -6.936 -3.447 270 HA SER 39 HA SER 39 2.015 -5.932 -0.656 271 1HB SER 39 HB2 SER 39 2.402 -4.333 -3.177 272 2HB SER 39 HB1 SER 39 3.188 -4.134 -1.612 273 HG SER 39 HG SER 39 3.892 -5.673 -3.735 274 H CYS 40 HN CYS 40 0.443 -4.571 0.201 275 HA CYS 40 HA CYS 40 -2.157 -4.442 -1.056 276 1HB CYS 40 HB2 CYS 40 -1.459 -4.408 1.430 277 2HB CYS 40 HB1 CYS 40 -1.130 -2.692 1.186 278 H TYR 41 HN TYR 41 -3.234 -2.516 -1.848 279 HA TYR 41 HA TYR 41 -1.518 -0.148 -2.417 280 1HB TYR 41 HB2 TYR 41 -1.277 -1.825 -4.253 281 2HB TYR 41 HB1 TYR 41 -3.021 -1.757 -4.507 282 HD1 TYR 41 HD1 TYR 41 -4.047 0.069 -5.671 283 HD2 TYR 41 HD2 TYR 41 0.121 0.220 -4.645 284 HE1 TYR 41 HE1 TYR 41 -3.762 2.059 -7.122 285 HE2 TYR 41 HE2 TYR 41 0.406 2.210 -6.097 286 HH TYR 41 HH TYR 41 -0.719 3.843 -7.220 287 H CYS 42 HN CYS 42 -2.720 1.724 -2.253 288 HA CYS 42 HA CYS 42 -5.710 1.460 -2.318 289 1HB CYS 42 HB2 CYS 42 -4.056 3.422 -0.704 290 2HB CYS 42 HB1 CYS 42 -5.774 3.071 -0.527 291 H GLU 43 HN GLU 43 -6.781 2.945 -3.608 292 HA GLU 43 HA GLU 43 -5.078 4.878 -5.134 293 1HB GLU 43 HB2 GLU 43 -6.170 3.170 -6.469 294 2HB GLU 43 HB1 GLU 43 -7.721 3.498 -5.695 295 1HG GLU 43 HG2 GLU 43 -7.995 4.760 -7.606 296 2HG GLU 43 HG1 GLU 43 -7.214 5.967 -6.583 297 H GLY 44 HN GLY 44 -5.231 6.868 -4.125 298 1HA GLY 44 HA2 GLY 44 -6.813 8.849 -4.117 299 2HA GLY 44 HA1 GLY 44 -7.965 7.779 -3.315 300 H LEU 45 HN LEU 45 -4.749 7.212 -2.354 301 HA LEU 45 HA LEU 45 -5.144 7.746 0.381 302 1HB LEU 45 HB2 LEU 45 -2.638 7.858 -1.329 303 2HB LEU 45 HB1 LEU 45 -2.644 7.723 0.430 304 HG LEU 45 HG LEU 45 -4.144 5.758 -1.300 305 1HD1 LEU 45 HD11 LEU 45 -1.942 4.368 -0.614 306 2HD1 LEU 45 HD12 LEU 45 -1.223 5.971 -0.763 307 3HD1 LEU 45 HD13 LEU 45 -2.066 5.252 -2.135 308 1HD2 LEU 45 HD21 LEU 45 -2.915 4.837 1.177 309 2HD2 LEU 45 HD22 LEU 45 -4.605 4.767 0.679 310 3HD2 LEU 45 HD23 LEU 45 -3.975 6.219 1.457 311 HA PRO 46 HA PRO 46 -4.831 12.097 0.822 312 1HB PRO 46 HB2 PRO 46 -3.426 12.331 3.159 313 2HB PRO 46 HB1 PRO 46 -5.115 11.787 3.094 314 1HG PRO 46 HG2 PRO 46 -2.625 10.199 3.419 315 2HG PRO 46 HG1 PRO 46 -4.222 9.962 4.144 316 1HD PRO 46 HD2 PRO 46 -3.266 8.516 2.019 317 2HD PRO 46 HD1 PRO 46 -4.991 8.760 2.369 318 H GLU 47 HN GLU 47 -3.326 13.905 0.667 319 HA GLU 47 HA GLU 47 -0.984 13.425 -0.904 320 1HB GLU 47 HB2 GLU 47 -2.142 15.502 -1.068 321 2HB GLU 47 HB1 GLU 47 -2.093 15.752 0.676 322 1HG GLU 47 HG2 GLU 47 0.462 15.815 0.444 323 2HG GLU 47 HG1 GLU 47 0.192 15.947 -1.293 324 H ASN 48 HN ASN 48 -1.485 13.315 2.518 325 HA ASN 48 HA ASN 48 1.469 13.512 2.989 326 1HB ASN 48 HB2 ASN 48 0.617 13.871 5.395 327 2HB ASN 48 HB1 ASN 48 0.286 15.157 4.234 328 1HD2 ASN 48 HD21 ASN 48 -1.198 13.335 6.615 329 2HD2 ASN 48 HD22 ASN 48 -2.806 13.450 6.081 330 H ALA 49 HN ALA 49 -0.301 11.078 2.163 331 HA ALA 49 HA ALA 49 -0.270 9.311 4.475 332 1HB ALA 49 HB1 ALA 49 -1.290 7.847 3.004 333 2HB ALA 49 HB2 ALA 49 -0.229 8.293 1.668 334 3HB ALA 49 HB3 ALA 49 -1.566 9.350 2.123 335 H LYS 50 HN LYS 50 1.157 7.430 4.680 336 HA LYS 50 HA LYS 50 3.917 8.012 3.721 337 1HB LYS 50 HB2 LYS 50 2.984 7.464 6.166 338 2HB LYS 50 HB1 LYS 50 3.207 5.803 5.614 339 1HG LYS 50 HG2 LYS 50 5.269 6.435 6.653 340 2HG LYS 50 HG1 LYS 50 5.562 6.489 4.914 341 1HD LYS 50 HD2 LYS 50 5.982 8.704 4.969 342 2HD LYS 50 HD1 LYS 50 4.516 9.022 5.897 343 1HE LYS 50 HE2 LYS 50 7.018 7.879 7.175 344 2HE LYS 50 HE1 LYS 50 6.690 9.622 7.093 345 1HZ LYS 50 HZ1 LYS 50 4.417 9.039 8.000 346 2HZ LYS 50 HZ2 LYS 50 5.712 8.913 9.092 347 3HZ LYS 50 HZ3 LYS 50 5.055 7.515 8.383 348 H VAL 51 HN VAL 51 4.215 7.079 1.698 349 HA VAL 51 HA VAL 51 3.646 4.153 1.470 350 HB VAL 51 HB VAL 51 2.794 4.685 -0.859 351 1HG1 VAL 51 HG11 VAL 51 1.161 4.232 0.840 352 2HG1 VAL 51 HG12 VAL 51 0.614 5.677 -0.009 353 3HG1 VAL 51 HG13 VAL 51 1.388 5.822 1.569 354 1HG2 VAL 51 HG21 VAL 51 2.027 7.108 -1.109 355 2HG2 VAL 51 HG22 VAL 51 3.765 6.841 -1.242 356 3HG2 VAL 51 HG23 VAL 51 3.084 7.487 0.251 357 H SER 52 HN SER 52 4.788 3.252 -0.535 358 HA SER 52 HA SER 52 7.551 4.270 -0.623 359 1HB SER 52 HB2 SER 52 7.414 1.933 -0.532 360 2HB SER 52 HB1 SER 52 6.002 1.880 -1.585 361 HG SER 52 HG SER 52 8.709 2.371 -2.257 362 H ASP 53 HN ASP 53 8.541 4.258 -2.971 363 HA ASP 53 HA ASP 53 6.635 5.675 -4.809 364 1HB ASP 53 HB2 ASP 53 8.477 7.192 -5.320 365 2HB ASP 53 HB1 ASP 53 8.269 7.122 -3.569 366 H SER 54 HN SER 54 7.960 2.808 -4.599 367 HA SER 54 HA SER 54 8.480 2.622 -7.516 368 1HB SER 54 HB2 SER 54 10.673 1.761 -7.239 369 2HB SER 54 HB1 SER 54 10.605 3.117 -6.118 370 HG SER 54 HG SER 54 11.014 0.516 -5.615 371 H ALA 55 HN ALA 55 8.084 0.493 -8.317 372 HA ALA 55 HA ALA 55 6.239 -1.137 -6.866 373 1HB ALA 55 HB1 ALA 55 8.015 -1.559 -9.283 374 2HB ALA 55 HB2 ALA 55 6.296 -1.167 -9.263 375 3HB ALA 55 HB3 ALA 55 6.842 -2.765 -8.754 376 H THR 56 HN THR 56 9.733 -1.075 -6.970 377 HA THR 56 HA THR 56 9.790 -3.429 -5.113 378 HB THR 56 HB THR 56 10.595 -4.233 -7.197 379 HG1 THR 56 HG1 THR 56 12.893 -4.344 -6.836 380 1HG2 THR 56 HG21 THR 56 12.220 -1.686 -7.434 381 2HG2 THR 56 HG22 THR 56 10.705 -1.997 -8.281 382 3HG2 THR 56 HG23 THR 56 12.128 -2.979 -8.629 383 H ASN 57 HN ASN 57 11.141 -3.163 -3.326 384 HA ASN 57 HA ASN 57 12.993 -0.828 -3.249 385 1HB ASN 57 HB2 ASN 57 11.929 -0.194 -1.050 386 2HB ASN 57 HB1 ASN 57 10.851 -0.005 -2.435 387 1HD2 ASN 57 HD21 ASN 57 9.431 -2.047 -2.885 388 2HD2 ASN 57 HD22 ASN 57 8.835 -2.873 -1.527 389 H ILE 58 HN ILE 58 14.080 -0.914 -0.894 390 HA ILE 58 HA ILE 58 14.810 -3.778 -0.381 391 HB ILE 58 HB ILE 58 16.348 -1.176 -0.084 392 1HG1 ILE 58 HG12 ILE 58 17.244 -3.386 -1.860 393 2HG1 ILE 58 HG11 ILE 58 15.814 -2.495 -2.385 394 1HG2 ILE 58 HG21 ILE 58 16.944 -4.013 0.695 395 2HG2 ILE 58 HG22 ILE 58 17.287 -2.522 1.572 396 3HG2 ILE 58 HG23 ILE 58 18.262 -2.965 0.170 397 1HD1 ILE 58 HD11 ILE 58 18.564 -1.388 -1.784 398 2HD1 ILE 58 HD12 ILE 58 17.139 -0.362 -1.955 399 3HD1 ILE 58 HD13 ILE 58 17.691 -1.339 -3.316 400 H CYS 59 HN CYS 59 12.595 -3.081 0.994 401 HA CYS 59 HA CYS 59 13.554 -2.217 3.703 402 1HB CYS 59 HB2 CYS 59 11.857 -0.841 2.351 403 2HB CYS 59 HB1 CYS 59 10.727 -2.167 2.624 404 H GLY 60 HN GLY 60 13.148 -3.603 5.426 405 1HA GLY 60 HA2 GLY 60 11.979 -5.380 6.562 406 2HA GLY 60 HA1 GLY 60 11.331 -5.910 5.009 Start of MODEL 13 1 1H LYS 1 HT1 LYS 1 -3.856 10.260 -3.622 2 2H LYS 1 HT2 LYS 1 -4.832 9.837 -4.948 3 3H LYS 1 HT3 LYS 1 -4.058 11.349 -4.907 4 HA LYS 1 HA LYS 1 -2.803 9.993 -6.390 5 1HB LYS 1 HB2 LYS 1 -0.710 10.315 -5.314 6 2HB LYS 1 HB1 LYS 1 -1.778 11.467 -4.513 7 1HG LYS 1 HG2 LYS 1 -2.131 9.896 -2.664 8 2HG LYS 1 HG1 LYS 1 -1.131 8.691 -3.475 9 1HD LYS 1 HD2 LYS 1 0.777 10.332 -3.409 10 2HD LYS 1 HD1 LYS 1 -0.234 11.387 -2.419 11 1HE LYS 1 HE2 LYS 1 -0.516 9.070 -1.033 12 2HE LYS 1 HE1 LYS 1 1.120 8.844 -1.684 13 1HZ LYS 1 HZ1 LYS 1 1.711 11.048 -0.905 14 2HZ LYS 1 HZ2 LYS 1 1.158 10.105 0.396 15 3HZ LYS 1 HZ3 LYS 1 0.147 11.285 -0.292 16 H ASP 2 HN ASP 2 -1.470 7.979 -6.618 17 HA ASP 2 HA ASP 2 -2.700 5.710 -5.091 18 1HB ASP 2 HB2 ASP 2 -1.293 5.622 -7.771 19 2HB ASP 2 HB1 ASP 2 -2.419 4.442 -7.100 20 H GLY 3 HN GLY 3 -1.299 4.259 -4.060 21 1HA GLY 3 HA2 GLY 3 1.486 3.986 -4.689 22 2HA GLY 3 HA1 GLY 3 1.301 5.082 -3.322 23 H TYR 4 HN TYR 4 2.567 3.198 -2.334 24 HA TYR 4 HA TYR 4 0.686 1.064 -1.384 25 1HB TYR 4 HB2 TYR 4 3.720 1.067 -1.430 26 2HB TYR 4 HB1 TYR 4 2.660 -0.318 -1.173 27 HD1 TYR 4 HD1 TYR 4 1.267 -1.198 -3.048 28 HD2 TYR 4 HD2 TYR 4 4.193 1.892 -3.637 29 HE1 TYR 4 HE1 TYR 4 1.215 -1.615 -5.493 30 HE2 TYR 4 HE2 TYR 4 4.140 1.475 -6.081 31 HH TYR 4 HH TYR 4 3.231 -1.066 -7.493 32 HA PRO 5 HA PRO 5 1.208 3.269 2.456 33 1HB PRO 5 HB2 PRO 5 -0.287 1.570 3.989 34 2HB PRO 5 HB1 PRO 5 -1.006 2.784 2.911 35 1HG PRO 5 HG2 PRO 5 -0.637 -0.140 2.480 36 2HG PRO 5 HG1 PRO 5 -1.999 0.902 2.039 37 1HD PRO 5 HD2 PRO 5 -0.113 0.081 0.255 38 2HD PRO 5 HD1 PRO 5 -0.994 1.618 0.102 39 H VAL 6 HN VAL 6 2.757 3.030 4.035 40 HA VAL 6 HA VAL 6 4.170 0.405 4.190 41 HB VAL 6 HB VAL 6 5.948 1.866 5.234 42 1HG1 VAL 6 HG11 VAL 6 6.184 1.419 2.910 43 2HG1 VAL 6 HG12 VAL 6 6.360 3.167 3.062 44 3HG1 VAL 6 HG13 VAL 6 4.839 2.481 2.491 45 1HG2 VAL 6 HG21 VAL 6 3.956 3.591 5.770 46 2HG2 VAL 6 HG22 VAL 6 4.492 4.266 4.232 47 3HG2 VAL 6 HG23 VAL 6 5.627 4.119 5.574 48 H ASP 7 HN ASP 7 5.019 -0.126 6.426 49 HA ASP 7 HA ASP 7 2.800 0.045 8.361 50 1HB ASP 7 HB2 ASP 7 4.108 -1.661 9.515 51 2HB ASP 7 HB1 ASP 7 4.085 -2.039 7.792 52 H SER 8 HN SER 8 3.713 0.284 10.776 53 HA SER 8 HA SER 8 4.488 2.978 11.181 54 1HB SER 8 HB2 SER 8 5.045 2.059 13.502 55 2HB SER 8 HB1 SER 8 3.430 1.685 12.906 56 HG SER 8 HG SER 8 4.082 -0.276 13.403 57 H LYS 9 HN LYS 9 6.383 0.256 10.243 58 HA LYS 9 HA LYS 9 8.935 1.268 11.279 59 1HB LYS 9 HB2 LYS 9 8.036 -1.164 10.759 60 2HB LYS 9 HB1 LYS 9 8.624 -0.811 9.133 61 1HG LYS 9 HG2 LYS 9 10.340 -0.399 11.587 62 2HG LYS 9 HG1 LYS 9 10.293 -1.934 10.719 63 1HD LYS 9 HD2 LYS 9 10.744 -0.470 8.603 64 2HD LYS 9 HD1 LYS 9 11.285 0.741 9.765 65 1HE LYS 9 HE2 LYS 9 12.793 -1.063 10.763 66 2HE LYS 9 HE1 LYS 9 12.411 -2.038 9.329 67 1HZ LYS 9 HZ1 LYS 9 13.393 -0.542 7.923 68 2HZ LYS 9 HZ2 LYS 9 14.396 -0.355 9.281 69 3HZ LYS 9 HZ3 LYS 9 13.167 0.775 8.968 70 H GLY 10 HN GLY 10 7.278 1.123 8.110 71 1HA GLY 10 HA2 GLY 10 7.730 3.250 6.744 72 2HA GLY 10 HA1 GLY 10 9.435 2.890 7.026 73 H CYS 11 HN CYS 11 8.332 -0.090 6.811 74 HA CYS 11 HA CYS 11 9.072 -0.356 3.975 75 1HB CYS 11 HB2 CYS 11 8.160 -2.421 6.004 76 2HB CYS 11 HB1 CYS 11 9.057 -2.727 4.516 77 H LYS 12 HN LYS 12 7.650 -1.830 2.586 78 HA LYS 12 HA LYS 12 4.937 -0.762 2.495 79 1HB LYS 12 HB2 LYS 12 6.340 -2.969 0.950 80 2HB LYS 12 HB1 LYS 12 4.838 -2.177 0.469 81 1HG LYS 12 HG2 LYS 12 6.377 0.007 0.823 82 2HG LYS 12 HG1 LYS 12 7.631 -1.154 0.382 83 1HD LYS 12 HD2 LYS 12 5.184 -1.238 -1.284 84 2HD LYS 12 HD1 LYS 12 6.157 0.224 -1.442 85 1HE LYS 12 HE2 LYS 12 7.605 -2.395 -1.464 86 2HE LYS 12 HE1 LYS 12 6.696 -1.935 -2.918 87 1HZ LYS 12 HZ1 LYS 12 8.416 0.025 -1.537 88 2HZ LYS 12 HZ2 LYS 12 7.879 0.026 -3.149 89 3HZ LYS 12 HZ3 LYS 12 9.088 -1.060 -2.655 90 H LEU 13 HN LEU 13 2.998 -1.971 2.841 91 HA LEU 13 HA LEU 13 3.257 -4.167 4.778 92 1HB LEU 13 HB2 LEU 13 1.616 -2.188 4.797 93 2HB LEU 13 HB1 LEU 13 0.742 -3.052 3.531 94 HG LEU 13 HG LEU 13 0.787 -5.076 5.114 95 1HD1 LEU 13 HD11 LEU 13 2.225 -4.668 6.853 96 2HD1 LEU 13 HD12 LEU 13 0.774 -3.976 7.577 97 3HD1 LEU 13 HD13 LEU 13 1.958 -2.925 6.802 98 1HD2 LEU 13 HD21 LEU 13 -0.783 -2.547 5.641 99 2HD2 LEU 13 HD22 LEU 13 -1.109 -4.041 6.520 100 3HD2 LEU 13 HD23 LEU 13 -1.298 -3.991 4.768 101 H SER 14 HN SER 14 3.745 -6.149 3.866 102 HA SER 14 HA SER 14 3.163 -7.010 1.234 103 1HB SER 14 HB2 SER 14 3.221 -8.765 3.699 104 2HB SER 14 HB1 SER 14 3.772 -9.168 2.076 105 HG SER 14 HG SER 14 5.628 -8.548 2.880 106 H CYS 15 HN CYS 15 1.397 -8.247 0.386 107 HA CYS 15 HA CYS 15 -1.001 -8.506 2.158 108 1HB CYS 15 HB2 CYS 15 -2.348 -7.413 0.490 109 2HB CYS 15 HB1 CYS 15 -0.932 -6.393 0.743 110 H VAL 16 HN VAL 16 -2.414 -10.221 1.555 111 HA VAL 16 HA VAL 16 -1.374 -12.053 -0.585 112 HB VAL 16 HB VAL 16 -1.026 -12.691 1.867 113 1HG1 VAL 16 HG11 VAL 16 -3.179 -11.817 2.698 114 2HG1 VAL 16 HG12 VAL 16 -3.025 -13.539 3.051 115 3HG1 VAL 16 HG13 VAL 16 -4.042 -13.000 1.715 116 1HG2 VAL 16 HG21 VAL 16 -0.832 -14.591 0.602 117 2HG2 VAL 16 HG22 VAL 16 -2.339 -14.288 -0.264 118 3HG2 VAL 16 HG23 VAL 16 -2.377 -14.993 1.352 119 H ALA 17 HN ALA 17 -4.195 -10.809 1.164 120 HA ALA 17 HA ALA 17 -5.956 -11.890 -1.010 121 1HB ALA 17 HB1 ALA 17 -7.527 -12.307 0.641 122 2HB ALA 17 HB2 ALA 17 -6.992 -10.949 1.632 123 3HB ALA 17 HB3 ALA 17 -6.060 -12.445 1.610 124 H ASN 18 HN ASN 18 -7.070 -10.388 -2.217 125 HA ASN 18 HA ASN 18 -6.457 -7.614 -2.142 126 1HB ASN 18 HB2 ASN 18 -8.689 -9.285 -3.308 127 2HB ASN 18 HB1 ASN 18 -8.595 -7.546 -3.588 128 1HD2 ASN 18 HD21 ASN 18 -8.012 -10.137 -5.313 129 2HD2 ASN 18 HD22 ASN 18 -6.538 -9.751 -6.061 130 H ASN 19 HN ASN 19 -9.291 -9.384 -0.849 131 HA ASN 19 HA ASN 19 -10.904 -7.302 0.037 132 1HB ASN 19 HB2 ASN 19 -11.591 -8.898 1.804 133 2HB ASN 19 HB1 ASN 19 -11.371 -9.718 0.261 134 1HD2 ASN 19 HD21 ASN 19 -10.559 -9.890 3.518 135 2HD2 ASN 19 HD22 ASN 19 -9.207 -10.909 3.399 136 H TYR 20 HN TYR 20 -8.020 -8.617 1.689 137 HA TYR 20 HA TYR 20 -8.093 -7.098 4.061 138 1HB TYR 20 HB2 TYR 20 -6.510 -8.909 3.607 139 2HB TYR 20 HB1 TYR 20 -5.767 -7.968 2.313 140 HD1 TYR 20 HD1 TYR 20 -3.813 -6.813 2.827 141 HD2 TYR 20 HD2 TYR 20 -6.687 -7.548 5.932 142 HE1 TYR 20 HE1 TYR 20 -2.309 -5.728 4.475 143 HE2 TYR 20 HE2 TYR 20 -5.184 -6.464 7.580 144 HH TYR 20 HH TYR 20 -3.232 -5.474 7.913 145 H CYS 21 HN CYS 21 -6.623 -6.236 0.911 146 HA CYS 21 HA CYS 21 -5.865 -3.565 1.806 147 1HB CYS 21 HB2 CYS 21 -5.903 -5.137 -0.761 148 2HB CYS 21 HB1 CYS 21 -5.565 -3.407 -0.802 149 H ASP 22 HN ASP 22 -8.579 -4.984 0.005 150 HA ASP 22 HA ASP 22 -9.805 -2.752 -1.118 151 1HB ASP 22 HB2 ASP 22 -10.544 -5.172 -1.128 152 2HB ASP 22 HB1 ASP 22 -11.196 -4.917 0.491 153 H ASN 23 HN ASN 23 -10.248 -3.904 2.250 154 HA ASN 23 HA ASN 23 -11.774 -1.564 3.058 155 1HB ASN 23 HB2 ASN 23 -11.745 -3.953 4.015 156 2HB ASN 23 HB1 ASN 23 -10.237 -3.498 4.809 157 1HD2 ASN 23 HD21 ASN 23 -13.724 -2.861 4.720 158 2HD2 ASN 23 HD22 ASN 23 -13.778 -1.988 6.174 159 H GLN 24 HN GLN 24 -8.414 -2.667 3.640 160 HA GLN 24 HA GLN 24 -7.383 -0.673 5.247 161 1HB GLN 24 HB2 GLN 24 -6.145 -2.593 4.283 162 2HB GLN 24 HB1 GLN 24 -6.171 -1.810 2.702 163 1HG GLN 24 HG2 GLN 24 -4.024 -1.359 3.741 164 2HG GLN 24 HG1 GLN 24 -4.956 0.139 3.715 165 1HE2 GLN 24 HE21 GLN 24 -5.560 1.072 5.733 166 2HE2 GLN 24 HE22 GLN 24 -5.119 0.410 7.231 167 H CYS 25 HN CYS 25 -7.263 -0.447 1.672 168 HA CYS 25 HA CYS 25 -6.584 2.287 1.489 169 1HB CYS 25 HB2 CYS 25 -8.358 0.594 -0.301 170 2HB CYS 25 HB1 CYS 25 -7.492 2.048 -0.794 171 H LYS 26 HN LYS 26 -9.862 0.851 1.211 172 HA LYS 26 HA LYS 26 -11.477 3.079 1.036 173 1HB LYS 26 HB2 LYS 26 -11.959 0.528 1.357 174 2HB LYS 26 HB1 LYS 26 -12.037 0.925 3.073 175 1HG LYS 26 HG2 LYS 26 -13.678 2.793 2.383 176 2HG LYS 26 HG1 LYS 26 -13.790 1.950 0.837 177 1HD LYS 26 HD2 LYS 26 -15.126 0.358 1.711 178 2HD LYS 26 HD1 LYS 26 -14.025 0.096 3.063 179 1HE LYS 26 HE2 LYS 26 -15.207 2.605 3.567 180 2HE LYS 26 HE1 LYS 26 -16.534 1.556 3.032 181 1HZ LYS 26 HZ1 LYS 26 -16.303 0.212 4.798 182 2HZ LYS 26 HZ2 LYS 26 -15.501 1.528 5.513 183 3HZ LYS 26 HZ3 LYS 26 -14.608 0.285 4.778 184 H MET 27 HN MET 27 -10.243 1.728 4.124 185 HA MET 27 HA MET 27 -11.246 3.706 5.876 186 1HB MET 27 HB2 MET 27 -8.769 1.970 5.825 187 2HB MET 27 HB1 MET 27 -9.137 3.010 7.202 188 1HG MET 27 HG2 MET 27 -11.546 1.816 6.862 189 2HG MET 27 HG1 MET 27 -10.484 0.527 6.297 190 1HE MET 27 HE1 MET 27 -8.942 -1.057 8.352 191 2HE MET 27 HE2 MET 27 -7.892 0.216 8.968 192 3HE MET 27 HE3 MET 27 -8.327 0.193 7.261 193 H LYS 28 HN LYS 28 -8.376 3.709 3.805 194 HA LYS 28 HA LYS 28 -7.463 6.328 4.822 195 1HB LYS 28 HB2 LYS 28 -6.556 4.375 2.686 196 2HB LYS 28 HB1 LYS 28 -5.727 5.899 3.001 197 1HG LYS 28 HG2 LYS 28 -6.288 4.215 5.379 198 2HG LYS 28 HG1 LYS 28 -5.085 3.585 4.254 199 1HD LYS 28 HD2 LYS 28 -4.874 6.471 4.948 200 2HD LYS 28 HD1 LYS 28 -4.454 5.319 6.216 201 1HE LYS 28 HE2 LYS 28 -3.158 4.202 4.086 202 2HE LYS 28 HE1 LYS 28 -3.029 5.928 3.693 203 1HZ LYS 28 HZ1 LYS 28 -2.611 5.114 6.473 204 2HZ LYS 28 HZ2 LYS 28 -1.901 6.387 5.601 205 3HZ LYS 28 HZ3 LYS 28 -1.364 4.791 5.369 206 H LYS 29 HN LYS 29 -10.124 6.154 3.530 207 HA LYS 29 HA LYS 29 -11.377 7.166 1.800 208 1HB LYS 29 HB2 LYS 29 -10.076 8.945 3.302 209 2HB LYS 29 HB1 LYS 29 -9.272 9.291 1.769 210 1HG LYS 29 HG2 LYS 29 -12.182 9.010 1.509 211 2HG LYS 29 HG1 LYS 29 -11.704 10.342 2.561 212 1HD LYS 29 HD2 LYS 29 -10.603 9.883 -0.225 213 2HD LYS 29 HD1 LYS 29 -11.897 11.017 0.161 214 1HE LYS 29 HE2 LYS 29 -9.823 11.568 2.006 215 2HE LYS 29 HE1 LYS 29 -9.048 11.406 0.418 216 1HZ LYS 29 HZ1 LYS 29 -11.248 12.713 -0.262 217 2HZ LYS 29 HZ2 LYS 29 -9.811 13.508 0.170 218 3HZ LYS 29 HZ3 LYS 29 -11.056 13.319 1.311 219 H ALA 30 HN ALA 30 -9.594 5.224 0.737 220 HA ALA 30 HA ALA 30 -8.314 6.527 -1.614 221 1HB ALA 30 HB1 ALA 30 -6.831 4.878 -1.152 222 2HB ALA 30 HB2 ALA 30 -8.043 3.717 -1.696 223 3HB ALA 30 HB3 ALA 30 -7.941 4.150 0.010 224 H SER 31 HN SER 31 -8.674 5.013 -3.706 225 HA SER 31 HA SER 31 -11.632 4.556 -3.925 226 1HB SER 31 HB2 SER 31 -11.590 5.878 -5.772 227 2HB SER 31 HB1 SER 31 -10.016 6.412 -5.191 228 HG SER 31 HG SER 31 -10.489 5.238 -7.435 229 H GLY 32 HN GLY 32 -8.446 3.555 -5.211 230 1HA GLY 32 HA2 GLY 32 -9.689 0.936 -5.952 231 2HA GLY 32 HA1 GLY 32 -8.260 1.609 -6.739 232 H GLY 33 HN GLY 33 -9.445 0.075 -3.791 233 1HA GLY 33 HA2 GLY 33 -6.627 -0.239 -2.862 234 2HA GLY 33 HA1 GLY 33 -8.051 -0.419 -1.839 235 H HIS 34 HN HIS 34 -5.681 -2.164 -3.253 236 HA HIS 34 HA HIS 34 -7.176 -4.679 -2.960 237 1HB HIS 34 HB2 HIS 34 -6.812 -5.351 -5.299 238 2HB HIS 34 HB1 HIS 34 -7.726 -3.842 -5.247 239 HD1 HIS 34 HD1 HIS 34 -4.873 -5.293 -6.861 240 HD2 HIS 34 HD2 HIS 34 -5.780 -1.491 -5.415 241 HE1 HIS 34 HE1 HIS 34 -3.252 -3.697 -7.977 242 H CYS 35 HN CYS 35 -5.605 -6.573 -3.443 243 HA CYS 35 HA CYS 35 -2.929 -5.845 -2.368 244 1HB CYS 35 HB2 CYS 35 -4.088 -7.589 -1.207 245 2HB CYS 35 HB1 CYS 35 -4.514 -8.401 -2.713 246 H TYR 36 HN TYR 36 -1.371 -5.457 -3.892 247 HA TYR 36 HA TYR 36 -1.224 -7.281 -6.261 248 1HB TYR 36 HB2 TYR 36 -2.059 -4.579 -6.207 249 2HB TYR 36 HB1 TYR 36 -0.430 -4.570 -6.882 250 HD1 TYR 36 HD1 TYR 36 -2.923 -7.325 -7.121 251 HD2 TYR 36 HD2 TYR 36 -0.879 -4.161 -9.179 252 HE1 TYR 36 HE1 TYR 36 -3.809 -8.161 -9.280 253 HE2 TYR 36 HE2 TYR 36 -1.763 -4.996 -11.340 254 HH TYR 36 HH TYR 36 -3.770 -7.935 -11.492 255 H ALA 37 HN ALA 37 0.963 -7.320 -7.216 256 HA ALA 37 HA ALA 37 3.302 -7.569 -6.947 257 1HB ALA 37 HB1 ALA 37 2.644 -4.822 -5.856 258 2HB ALA 37 HB2 ALA 37 3.193 -5.231 -7.482 259 3HB ALA 37 HB3 ALA 37 4.301 -5.367 -6.116 260 H MET 38 HN MET 38 1.700 -8.715 -4.781 261 HA MET 38 HA MET 38 2.045 -9.588 -2.608 262 1HB MET 38 HB2 MET 38 4.659 -8.972 -3.841 263 2HB MET 38 HB1 MET 38 4.700 -9.135 -2.085 264 1HG MET 38 HG2 MET 38 3.206 -11.181 -3.686 265 2HG MET 38 HG1 MET 38 4.966 -11.266 -3.629 266 1HE MET 38 HE1 MET 38 4.171 -13.504 -2.996 267 2HE MET 38 HE2 MET 38 2.685 -13.584 -2.053 268 3HE MET 38 HE3 MET 38 4.215 -14.042 -1.311 269 H SER 39 HN SER 39 1.681 -6.498 -3.152 270 HA SER 39 HA SER 39 2.175 -5.721 -0.312 271 1HB SER 39 HB2 SER 39 3.166 -4.383 -2.835 272 2HB SER 39 HB1 SER 39 3.029 -3.503 -1.315 273 HG SER 39 HG SER 39 4.297 -5.992 -1.296 274 H CYS 40 HN CYS 40 0.793 -3.929 0.366 275 HA CYS 40 HA CYS 40 -1.805 -3.909 -0.961 276 1HB CYS 40 HB2 CYS 40 -0.999 -3.647 1.567 277 2HB CYS 40 HB1 CYS 40 -0.990 -1.935 1.142 278 H TYR 41 HN TYR 41 -2.647 -2.300 -2.288 279 HA TYR 41 HA TYR 41 -1.075 0.210 -2.679 280 1HB TYR 41 HB2 TYR 41 -0.283 -1.451 -4.312 281 2HB TYR 41 HB1 TYR 41 -1.941 -1.761 -4.822 282 HD1 TYR 41 HD1 TYR 41 -2.658 -0.692 -6.753 283 HD2 TYR 41 HD2 TYR 41 0.325 1.194 -4.307 284 HE1 TYR 41 HE1 TYR 41 -2.514 1.182 -8.373 285 HE2 TYR 41 HE2 TYR 41 0.469 3.067 -5.927 286 HH TYR 41 HH TYR 41 -0.028 3.322 -8.488 287 H CYS 42 HN CYS 42 -2.506 1.904 -2.626 288 HA CYS 42 HA CYS 42 -5.373 1.332 -3.294 289 1HB CYS 42 HB2 CYS 42 -4.272 3.593 -1.607 290 2HB CYS 42 HB1 CYS 42 -5.924 2.983 -1.651 291 H GLU 43 HN GLU 43 -6.472 2.835 -4.629 292 HA GLU 43 HA GLU 43 -4.692 4.693 -6.167 293 1HB GLU 43 HB2 GLU 43 -5.922 2.609 -7.158 294 2HB GLU 43 HB1 GLU 43 -7.365 3.617 -7.054 295 1HG GLU 43 HG2 GLU 43 -6.762 4.484 -9.047 296 2HG GLU 43 HG1 GLU 43 -5.457 5.302 -8.189 297 H GLY 44 HN GLY 44 -5.031 6.579 -4.849 298 1HA GLY 44 HA2 GLY 44 -6.717 8.531 -5.324 299 2HA GLY 44 HA1 GLY 44 -7.858 7.459 -4.514 300 H LEU 45 HN LEU 45 -5.050 6.790 -3.006 301 HA LEU 45 HA LEU 45 -5.603 7.753 -0.488 302 1HB LEU 45 HB2 LEU 45 -3.039 7.388 -2.031 303 2HB LEU 45 HB1 LEU 45 -2.997 7.910 -0.347 304 HG LEU 45 HG LEU 45 -4.496 5.451 -1.282 305 1HD1 LEU 45 HD11 LEU 45 -1.861 5.563 -1.520 306 2HD1 LEU 45 HD12 LEU 45 -2.634 4.131 -0.839 307 3HD1 LEU 45 HD13 LEU 45 -1.909 5.333 0.229 308 1HD2 LEU 45 HD21 LEU 45 -5.300 6.343 0.827 309 2HD2 LEU 45 HD22 LEU 45 -3.651 6.523 1.427 310 3HD2 LEU 45 HD23 LEU 45 -4.326 4.914 1.175 311 HA PRO 46 HA PRO 46 -5.264 12.136 -0.580 312 1HB PRO 46 HB2 PRO 46 -4.315 12.654 1.931 313 2HB PRO 46 HB1 PRO 46 -5.978 12.119 1.622 314 1HG PRO 46 HG2 PRO 46 -3.645 10.569 2.602 315 2HG PRO 46 HG1 PRO 46 -5.354 10.437 3.040 316 1HD PRO 46 HD2 PRO 46 -4.057 8.726 1.324 317 2HD PRO 46 HD1 PRO 46 -5.812 9.012 1.320 318 H GLU 47 HN GLU 47 -3.656 13.907 -0.547 319 HA GLU 47 HA GLU 47 -1.121 13.216 -1.650 320 1HB GLU 47 HB2 GLU 47 -2.414 15.355 -1.883 321 2HB GLU 47 HB1 GLU 47 -1.979 15.751 -0.219 322 1HG GLU 47 HG2 GLU 47 0.205 15.010 -2.128 323 2HG GLU 47 HG1 GLU 47 -0.504 16.621 -2.244 324 H ASN 48 HN ASN 48 -2.175 13.671 1.677 325 HA ASN 48 HA ASN 48 0.624 13.676 2.667 326 1HB ASN 48 HB2 ASN 48 -0.585 14.039 4.855 327 2HB ASN 48 HB1 ASN 48 -0.935 15.258 3.631 328 1HD2 ASN 48 HD21 ASN 48 -3.049 15.679 4.661 329 2HD2 ASN 48 HD22 ASN 48 -4.334 14.587 4.465 330 H ALA 49 HN ALA 49 -1.046 11.245 1.494 331 HA ALA 49 HA ALA 49 -1.440 9.382 3.630 332 1HB ALA 49 HB1 ALA 49 -2.175 9.358 1.150 333 2HB ALA 49 HB2 ALA 49 -1.688 7.819 1.862 334 3HB ALA 49 HB3 ALA 49 -0.572 8.702 0.819 335 H LYS 50 HN LYS 50 -0.052 7.621 4.265 336 HA LYS 50 HA LYS 50 2.843 8.302 4.118 337 1HB LYS 50 HB2 LYS 50 1.815 7.999 6.314 338 2HB LYS 50 HB1 LYS 50 1.192 6.420 5.835 339 1HG LYS 50 HG2 LYS 50 3.228 5.397 6.056 340 2HG LYS 50 HG1 LYS 50 4.117 6.822 5.520 341 1HD LYS 50 HD2 LYS 50 4.631 6.578 7.839 342 2HD LYS 50 HD1 LYS 50 3.464 7.898 7.744 343 1HE LYS 50 HE2 LYS 50 2.211 6.743 9.244 344 2HE LYS 50 HE1 LYS 50 1.901 5.565 7.952 345 1HZ LYS 50 HZ1 LYS 50 2.955 4.242 9.479 346 2HZ LYS 50 HZ2 LYS 50 3.927 5.499 10.079 347 3HZ LYS 50 HZ3 LYS 50 4.293 4.776 8.585 348 H VAL 51 HN VAL 51 3.026 7.479 1.867 349 HA VAL 51 HA VAL 51 3.212 4.488 1.808 350 HB VAL 51 HB VAL 51 2.312 4.614 -0.489 351 1HG1 VAL 51 HG11 VAL 51 0.164 6.143 0.575 352 2HG1 VAL 51 HG12 VAL 51 0.896 5.274 1.923 353 3HG1 VAL 51 HG13 VAL 51 0.312 4.387 0.516 354 1HG2 VAL 51 HG21 VAL 51 1.898 7.564 0.072 355 2HG2 VAL 51 HG22 VAL 51 1.558 6.707 -1.431 356 3HG2 VAL 51 HG23 VAL 51 3.226 6.939 -0.905 357 H SER 52 HN SER 52 4.657 3.795 -0.095 358 HA SER 52 HA SER 52 7.114 5.436 -0.066 359 1HB SER 52 HB2 SER 52 6.962 2.915 0.270 360 2HB SER 52 HB1 SER 52 6.543 2.792 -1.436 361 HG SER 52 HG SER 52 8.528 3.436 -1.984 362 H ASP 53 HN ASP 53 8.167 6.088 -2.084 363 HA ASP 53 HA ASP 53 6.245 6.381 -4.373 364 1HB ASP 53 HB2 ASP 53 7.764 8.464 -4.780 365 2HB ASP 53 HB1 ASP 53 6.596 8.529 -3.460 366 H SER 54 HN SER 54 7.870 4.084 -4.230 367 HA SER 54 HA SER 54 9.519 4.443 -6.652 368 1HB SER 54 HB2 SER 54 11.545 3.595 -5.515 369 2HB SER 54 HB1 SER 54 10.979 5.079 -4.755 370 HG SER 54 HG SER 54 10.060 2.588 -3.831 371 H ALA 55 HN ALA 55 9.096 2.658 -7.894 372 HA ALA 55 HA ALA 55 7.875 0.273 -6.646 373 1HB ALA 55 HB1 ALA 55 7.133 1.498 -8.781 374 2HB ALA 55 HB2 ALA 55 7.262 -0.258 -8.891 375 3HB ALA 55 HB3 ALA 55 8.537 0.764 -9.557 376 H THR 56 HN THR 56 10.971 1.191 -6.836 377 HA THR 56 HA THR 56 11.930 -1.610 -7.275 378 HB THR 56 HB THR 56 13.791 -0.696 -8.599 379 HG1 THR 56 HG1 THR 56 12.634 1.796 -8.811 380 1HG2 THR 56 HG21 THR 56 11.085 -0.786 -9.373 381 2HG2 THR 56 HG22 THR 56 12.496 -0.846 -10.429 382 3HG2 THR 56 HG23 THR 56 11.730 0.701 -10.069 383 H ASN 57 HN ASN 57 11.746 -1.233 -4.765 384 HA ASN 57 HA ASN 57 14.454 -0.619 -3.786 385 1HB ASN 57 HB2 ASN 57 13.763 1.195 -2.357 386 2HB ASN 57 HB1 ASN 57 13.155 1.558 -3.973 387 1HD2 ASN 57 HD21 ASN 57 11.930 2.635 -1.588 388 2HD2 ASN 57 HD22 ASN 57 10.373 1.969 -1.456 389 H ILE 58 HN ILE 58 14.746 -1.369 -1.574 390 HA ILE 58 HA ILE 58 12.553 -3.186 -0.623 391 HB ILE 58 HB ILE 58 14.739 -4.112 -1.657 392 1HG1 ILE 58 HG12 ILE 58 14.861 -5.478 0.802 393 2HG1 ILE 58 HG11 ILE 58 13.198 -4.906 0.665 394 1HG2 ILE 58 HG21 ILE 58 16.019 -3.851 0.993 395 2HG2 ILE 58 HG22 ILE 58 15.928 -2.350 0.071 396 3HG2 ILE 58 HG23 ILE 58 16.734 -3.761 -0.616 397 1HD1 ILE 58 HD11 ILE 58 12.901 -5.991 -1.448 398 2HD1 ILE 58 HD12 ILE 58 13.662 -7.178 -0.388 399 3HD1 ILE 58 HD13 ILE 58 14.627 -6.323 -1.592 400 H CYS 59 HN CYS 59 12.230 -3.260 1.664 401 HA CYS 59 HA CYS 59 13.665 -1.132 3.222 402 1HB CYS 59 HB2 CYS 59 11.328 -0.579 2.630 403 2HB CYS 59 HB1 CYS 59 10.784 -2.079 3.380 404 H GLY 60 HN GLY 60 13.741 -1.610 5.600 405 1HA GLY 60 HA2 GLY 60 13.138 -3.552 7.230 406 2HA GLY 60 HA1 GLY 60 14.008 -4.546 6.060 Start of MODEL 14 1 1H LYS 1 HT1 LYS 1 -3.999 10.907 -2.627 2 2H LYS 1 HT2 LYS 1 -5.085 9.873 -3.424 3 3H LYS 1 HT3 LYS 1 -4.710 11.391 -4.088 4 HA LYS 1 HA LYS 1 -3.265 10.225 -5.355 5 1HB LYS 1 HB2 LYS 1 -1.087 10.341 -4.313 6 2HB LYS 1 HB1 LYS 1 -2.051 11.659 -3.649 7 1HG LYS 1 HG2 LYS 1 -2.421 10.504 -1.605 8 2HG LYS 1 HG1 LYS 1 -1.883 8.968 -2.284 9 1HD LYS 1 HD2 LYS 1 0.345 10.437 -2.701 10 2HD LYS 1 HD1 LYS 1 -0.276 11.250 -1.265 11 1HE LYS 1 HE2 LYS 1 -0.574 8.813 -0.329 12 2HE LYS 1 HE1 LYS 1 0.619 8.394 -1.574 13 1HZ LYS 1 HZ1 LYS 1 2.195 9.781 -0.672 14 2HZ LYS 1 HZ2 LYS 1 1.426 9.229 0.738 15 3HZ LYS 1 HZ3 LYS 1 1.057 10.765 0.111 16 H ASP 2 HN ASP 2 -2.408 8.157 -5.922 17 HA ASP 2 HA ASP 2 -3.307 5.913 -4.150 18 1HB ASP 2 HB2 ASP 2 -2.539 5.744 -7.068 19 2HB ASP 2 HB1 ASP 2 -3.616 4.687 -6.157 20 H GLY 3 HN GLY 3 -1.765 4.323 -3.552 21 1HA GLY 3 HA2 GLY 3 0.833 4.132 -4.805 22 2HA GLY 3 HA1 GLY 3 0.938 5.047 -3.303 23 H TYR 4 HN TYR 4 2.387 3.017 -2.957 24 HA TYR 4 HA TYR 4 0.774 0.698 -1.974 25 1HB TYR 4 HB2 TYR 4 3.739 1.072 -2.519 26 2HB TYR 4 HB1 TYR 4 2.973 -0.448 -2.060 27 HD1 TYR 4 HD1 TYR 4 1.646 -1.718 -3.631 28 HD2 TYR 4 HD2 TYR 4 3.284 2.100 -4.722 29 HE1 TYR 4 HE1 TYR 4 1.110 -2.168 -6.010 30 HE2 TYR 4 HE2 TYR 4 2.746 1.651 -7.101 31 HH TYR 4 HH TYR 4 2.337 -1.016 -8.416 32 HA PRO 5 HA PRO 5 1.611 2.481 2.051 33 1HB PRO 5 HB2 PRO 5 0.267 0.568 3.476 34 2HB PRO 5 HB1 PRO 5 -0.548 1.908 2.645 35 1HG PRO 5 HG2 PRO 5 -0.213 -0.926 1.785 36 2HG PRO 5 HG1 PRO 5 -1.617 0.142 1.627 37 1HD PRO 5 HD2 PRO 5 0.069 -0.388 -0.432 38 2HD PRO 5 HD1 PRO 5 -0.806 1.151 -0.271 39 H VAL 6 HN VAL 6 3.261 2.036 3.511 40 HA VAL 6 HA VAL 6 4.582 -0.652 3.286 41 HB VAL 6 HB VAL 6 6.642 0.705 3.909 42 1HG1 VAL 6 HG11 VAL 6 6.841 0.462 1.669 43 2HG1 VAL 6 HG12 VAL 6 6.210 2.104 1.549 44 3HG1 VAL 6 HG13 VAL 6 5.116 0.727 1.411 45 1HG2 VAL 6 HG21 VAL 6 5.114 2.586 4.843 46 2HG2 VAL 6 HG22 VAL 6 4.963 3.100 3.163 47 3HG2 VAL 6 HG23 VAL 6 6.548 3.067 3.935 48 H ASP 7 HN ASP 7 5.943 -1.098 5.356 49 HA ASP 7 HA ASP 7 4.151 -0.754 7.686 50 1HB ASP 7 HB2 ASP 7 5.802 -2.403 8.669 51 2HB ASP 7 HB1 ASP 7 5.013 -2.961 7.194 52 H SER 8 HN SER 8 6.068 -0.868 9.743 53 HA SER 8 HA SER 8 6.754 1.907 10.063 54 1HB SER 8 HB2 SER 8 7.451 1.191 12.191 55 2HB SER 8 HB1 SER 8 6.274 -0.041 11.745 56 HG SER 8 HG SER 8 8.584 -0.588 12.513 57 H LYS 9 HN LYS 9 8.279 -0.505 8.242 58 HA LYS 9 HA LYS 9 10.993 0.693 8.607 59 1HB LYS 9 HB2 LYS 9 10.610 -1.784 8.792 60 2HB LYS 9 HB1 LYS 9 10.091 -1.786 7.106 61 1HG LYS 9 HG2 LYS 9 12.223 -1.762 6.373 62 2HG LYS 9 HG1 LYS 9 12.620 -0.391 7.409 63 1HD LYS 9 HD2 LYS 9 13.991 -1.995 8.355 64 2HD LYS 9 HD1 LYS 9 12.530 -2.260 9.308 65 1HE LYS 9 HE2 LYS 9 12.463 -3.751 6.793 66 2HE LYS 9 HE1 LYS 9 13.847 -4.205 7.808 67 1HZ LYS 9 HZ1 LYS 9 12.183 -5.455 8.751 68 2HZ LYS 9 HZ2 LYS 9 10.975 -4.303 8.433 69 3HZ LYS 9 HZ3 LYS 9 12.084 -4.049 9.694 70 H GLY 10 HN GLY 10 8.306 0.546 6.418 71 1HA GLY 10 HA2 GLY 10 8.105 2.137 4.591 72 2HA GLY 10 HA1 GLY 10 9.865 2.167 4.467 73 H CYS 11 HN CYS 11 8.425 -0.934 4.888 74 HA CYS 11 HA CYS 11 9.212 -1.662 2.116 75 1HB CYS 11 HB2 CYS 11 8.258 -3.414 4.398 76 2HB CYS 11 HB1 CYS 11 9.201 -3.906 2.992 77 H LYS 12 HN LYS 12 7.694 -2.246 0.572 78 HA LYS 12 HA LYS 12 5.050 -1.450 0.557 79 1HB LYS 12 HB2 LYS 12 6.372 -3.901 -0.644 80 2HB LYS 12 HB1 LYS 12 4.769 -3.336 -1.119 81 1HG LYS 12 HG2 LYS 12 6.800 -1.212 -1.099 82 2HG LYS 12 HG1 LYS 12 7.138 -2.499 -2.257 83 1HD LYS 12 HD2 LYS 12 4.344 -1.906 -2.390 84 2HD LYS 12 HD1 LYS 12 5.230 -0.384 -2.483 85 1HE LYS 12 HE2 LYS 12 6.175 -2.721 -4.128 86 2HE LYS 12 HE1 LYS 12 4.807 -1.742 -4.698 87 1HZ LYS 12 HZ1 LYS 12 6.456 0.161 -3.850 88 2HZ LYS 12 HZ2 LYS 12 6.449 -0.408 -5.451 89 3HZ LYS 12 HZ3 LYS 12 7.597 -0.994 -4.343 90 H LEU 13 HN LEU 13 3.037 -2.423 1.140 91 HA LEU 13 HA LEU 13 3.155 -4.218 3.459 92 1HB LEU 13 HB2 LEU 13 1.628 -2.159 2.928 93 2HB LEU 13 HB1 LEU 13 0.676 -3.319 2.001 94 HG LEU 13 HG LEU 13 0.845 -4.776 4.183 95 1HD1 LEU 13 HD11 LEU 13 1.717 -2.043 5.032 96 2HD1 LEU 13 HD12 LEU 13 2.231 -3.620 5.631 97 3HD1 LEU 13 HD13 LEU 13 0.673 -2.955 6.122 98 1HD2 LEU 13 HD21 LEU 13 -0.906 -2.311 4.296 99 2HD2 LEU 13 HD22 LEU 13 -1.283 -3.941 4.855 100 3HD2 LEU 13 HD23 LEU 13 -1.189 -3.601 3.127 101 H SER 14 HN SER 14 3.850 -6.265 2.594 102 HA SER 14 HA SER 14 3.019 -7.599 0.294 103 1HB SER 14 HB2 SER 14 3.706 -8.431 3.102 104 2HB SER 14 HB1 SER 14 3.217 -9.656 1.935 105 HG SER 14 HG SER 14 4.874 -8.360 0.575 106 H CYS 15 HN CYS 15 0.995 -8.185 -0.432 107 HA CYS 15 HA CYS 15 -1.185 -8.447 1.618 108 1HB CYS 15 HB2 CYS 15 -2.646 -7.746 -0.311 109 2HB CYS 15 HB1 CYS 15 -1.454 -6.531 0.152 110 H VAL 16 HN VAL 16 -2.346 -10.353 1.633 111 HA VAL 16 HA VAL 16 -1.634 -12.407 -0.430 112 HB VAL 16 HB VAL 16 -1.067 -12.857 1.950 113 1HG1 VAL 16 HG11 VAL 16 -2.802 -11.540 3.032 114 2HG1 VAL 16 HG12 VAL 16 -2.978 -13.222 3.534 115 3HG1 VAL 16 HG13 VAL 16 -4.062 -12.546 2.318 116 1HG2 VAL 16 HG21 VAL 16 -3.407 -14.605 1.173 117 2HG2 VAL 16 HG22 VAL 16 -1.917 -15.073 1.993 118 3HG2 VAL 16 HG23 VAL 16 -1.887 -14.652 0.281 119 H ALA 17 HN ALA 17 -4.095 -10.300 0.525 120 HA ALA 17 HA ALA 17 -6.055 -11.684 -1.202 121 1HB ALA 17 HB1 ALA 17 -6.431 -11.149 1.762 122 2HB ALA 17 HB2 ALA 17 -6.412 -12.723 0.967 123 3HB ALA 17 HB3 ALA 17 -7.743 -11.603 0.675 124 H ASN 18 HN ASN 18 -8.063 -10.242 -1.420 125 HA ASN 18 HA ASN 18 -7.202 -7.448 -1.739 126 1HB ASN 18 HB2 ASN 18 -9.610 -9.130 -2.429 127 2HB ASN 18 HB1 ASN 18 -9.644 -7.378 -2.644 128 1HD2 ASN 18 HD21 ASN 18 -9.876 -8.556 -5.013 129 2HD2 ASN 18 HD22 ASN 18 -8.412 -8.631 -5.868 130 H ASN 19 HN ASN 19 -9.661 -9.230 0.152 131 HA ASN 19 HA ASN 19 -10.933 -7.027 1.392 132 1HB ASN 19 HB2 ASN 19 -11.735 -8.678 2.928 133 2HB ASN 19 HB1 ASN 19 -11.479 -9.536 1.409 134 1HD2 ASN 19 HD21 ASN 19 -11.330 -10.531 4.290 135 2HD2 ASN 19 HD22 ASN 19 -9.794 -11.244 4.416 136 H TYR 20 HN TYR 20 -7.803 -8.498 2.025 137 HA TYR 20 HA TYR 20 -7.371 -7.390 4.652 138 1HB TYR 20 HB2 TYR 20 -6.031 -9.221 3.891 139 2HB TYR 20 HB1 TYR 20 -5.595 -8.375 2.405 140 HD1 TYR 20 HD1 TYR 20 -4.878 -8.798 5.958 141 HD2 TYR 20 HD2 TYR 20 -4.058 -6.412 2.482 142 HE1 TYR 20 HE1 TYR 20 -2.897 -7.829 7.091 143 HE2 TYR 20 HE2 TYR 20 -2.076 -5.444 3.615 144 HH TYR 20 HH TYR 20 -0.504 -6.606 5.880 145 H CYS 21 HN CYS 21 -6.278 -6.324 1.406 146 HA CYS 21 HA CYS 21 -5.127 -3.844 2.356 147 1HB CYS 21 HB2 CYS 21 -5.891 -5.111 -0.257 148 2HB CYS 21 HB1 CYS 21 -5.466 -3.399 -0.237 149 H ASP 22 HN ASP 22 -8.267 -4.757 0.954 150 HA ASP 22 HA ASP 22 -9.448 -2.257 0.527 151 1HB ASP 22 HB2 ASP 22 -10.304 -4.678 0.208 152 2HB ASP 22 HB1 ASP 22 -10.841 -4.573 1.885 153 H ASN 23 HN ASN 23 -9.494 -4.131 3.592 154 HA ASN 23 HA ASN 23 -10.742 -2.077 5.163 155 1HB ASN 23 HB2 ASN 23 -10.685 -4.409 5.841 156 2HB ASN 23 HB1 ASN 23 -8.921 -4.413 5.827 157 1HD2 ASN 23 HD21 ASN 23 -7.819 -3.546 7.664 158 2HD2 ASN 23 HD22 ASN 23 -8.628 -2.976 9.043 159 H GLN 24 HN GLN 24 -7.309 -2.990 4.719 160 HA GLN 24 HA GLN 24 -6.157 -1.044 6.448 161 1HB GLN 24 HB2 GLN 24 -5.026 -3.005 5.405 162 2HB GLN 24 HB1 GLN 24 -5.124 -2.204 3.837 163 1HG GLN 24 HG2 GLN 24 -2.916 -1.807 4.766 164 2HG GLN 24 HG1 GLN 24 -3.817 -0.291 4.797 165 1HE2 GLN 24 HE21 GLN 24 -3.473 0.784 6.739 166 2HE2 GLN 24 HE22 GLN 24 -3.314 0.039 8.256 167 H CYS 25 HN CYS 25 -6.401 -0.893 2.872 168 HA CYS 25 HA CYS 25 -5.644 1.775 2.483 169 1HB CYS 25 HB2 CYS 25 -7.746 0.065 1.114 170 2HB CYS 25 HB1 CYS 25 -7.108 1.565 0.440 171 H LYS 26 HN LYS 26 -8.971 0.540 2.990 172 HA LYS 26 HA LYS 26 -10.474 2.859 2.955 173 1HB LYS 26 HB2 LYS 26 -11.052 0.397 3.531 174 2HB LYS 26 HB1 LYS 26 -10.684 0.844 5.197 175 1HG LYS 26 HG2 LYS 26 -12.975 1.276 5.097 176 2HG LYS 26 HG1 LYS 26 -12.301 2.861 4.713 177 1HD LYS 26 HD2 LYS 26 -13.718 2.703 2.920 178 2HD LYS 26 HD1 LYS 26 -12.375 1.790 2.231 179 1HE LYS 26 HE2 LYS 26 -13.541 -0.252 3.465 180 2HE LYS 26 HE1 LYS 26 -14.978 0.781 3.327 181 1HZ LYS 26 HZ1 LYS 26 -13.129 0.118 1.095 182 2HZ LYS 26 HZ2 LYS 26 -14.534 1.066 0.983 183 3HZ LYS 26 HZ3 LYS 26 -14.650 -0.592 1.336 184 H MET 27 HN MET 27 -8.971 1.595 5.963 185 HA MET 27 HA MET 27 -9.400 3.759 7.660 186 1HB MET 27 HB2 MET 27 -7.120 1.819 7.276 187 2HB MET 27 HB1 MET 27 -7.077 3.008 8.578 188 1HG MET 27 HG2 MET 27 -9.355 2.162 9.292 189 2HG MET 27 HG1 MET 27 -9.154 0.851 8.131 190 1HE MET 27 HE1 MET 27 -5.804 -0.703 9.213 191 2HE MET 27 HE2 MET 27 -5.566 1.002 8.836 192 3HE MET 27 HE3 MET 27 -6.677 0.040 7.866 193 H LYS 28 HN LYS 28 -6.937 3.431 5.118 194 HA LYS 28 HA LYS 28 -5.696 6.017 5.777 195 1HB LYS 28 HB2 LYS 28 -5.358 3.837 3.726 196 2HB LYS 28 HB1 LYS 28 -4.524 5.379 3.524 197 1HG LYS 28 HG2 LYS 28 -4.282 4.365 6.248 198 2HG LYS 28 HG1 LYS 28 -3.638 3.229 5.062 199 1HD LYS 28 HD2 LYS 28 -2.091 4.804 4.218 200 2HD LYS 28 HD1 LYS 28 -2.948 6.163 4.946 201 1HE LYS 28 HE2 LYS 28 -2.088 4.167 6.926 202 2HE LYS 28 HE1 LYS 28 -0.739 4.930 6.061 203 1HZ LYS 28 HZ1 LYS 28 -1.270 6.398 7.804 204 2HZ LYS 28 HZ2 LYS 28 -2.942 6.255 7.538 205 3HZ LYS 28 HZ3 LYS 28 -1.969 7.088 6.422 206 H LYS 29 HN LYS 29 -8.483 6.294 5.222 207 HA LYS 29 HA LYS 29 -10.008 7.386 3.769 208 1HB LYS 29 HB2 LYS 29 -8.159 9.004 4.711 209 2HB LYS 29 HB1 LYS 29 -7.620 9.057 3.031 210 1HG LYS 29 HG2 LYS 29 -9.360 10.356 2.413 211 2HG LYS 29 HG1 LYS 29 -10.518 9.341 3.273 212 1HD LYS 29 HD2 LYS 29 -8.722 11.405 4.580 213 2HD LYS 29 HD1 LYS 29 -10.428 11.647 4.203 214 1HE LYS 29 HE2 LYS 29 -11.051 10.554 6.089 215 2HE LYS 29 HE1 LYS 29 -10.039 9.159 5.664 216 1HZ LYS 29 HZ1 LYS 29 -9.247 10.261 7.688 217 2HZ LYS 29 HZ2 LYS 29 -9.041 11.708 6.823 218 3HZ LYS 29 HZ3 LYS 29 -8.099 10.347 6.442 219 H ALA 30 HN ALA 30 -8.520 5.125 2.509 220 HA ALA 30 HA ALA 30 -8.032 6.089 -0.258 221 1HB ALA 30 HB1 ALA 30 -7.105 3.880 -0.571 222 2HB ALA 30 HB2 ALA 30 -7.877 3.290 0.901 223 3HB ALA 30 HB3 ALA 30 -6.553 4.452 1.003 224 H SER 31 HN SER 31 -9.095 4.777 -2.048 225 HA SER 31 HA SER 31 -11.912 4.074 -1.284 226 1HB SER 31 HB2 SER 31 -12.596 5.354 -3.057 227 2HB SER 31 HB1 SER 31 -11.020 6.114 -2.856 228 HG SER 31 HG SER 31 -10.508 5.339 -4.730 229 H GLY 32 HN GLY 32 -9.190 3.288 -3.447 230 1HA GLY 32 HA2 GLY 32 -10.512 0.661 -3.998 231 2HA GLY 32 HA1 GLY 32 -9.377 1.439 -5.102 232 H GLY 33 HN GLY 33 -9.653 -0.248 -2.014 233 1HA GLY 33 HA2 GLY 33 -6.685 -0.493 -1.913 234 2HA GLY 33 HA1 GLY 33 -7.773 -0.822 -0.566 235 H HIS 34 HN HIS 34 -5.948 -2.263 -2.965 236 HA HIS 34 HA HIS 34 -7.276 -4.880 -2.466 237 1HB HIS 34 HB2 HIS 34 -7.116 -5.261 -4.986 238 2HB HIS 34 HB1 HIS 34 -8.321 -4.081 -4.472 239 HD1 HIS 34 HD1 HIS 34 -7.945 -1.625 -5.103 240 HD2 HIS 34 HD2 HIS 34 -4.782 -4.100 -6.224 241 HE1 HIS 34 HE1 HIS 34 -6.455 -0.243 -6.616 242 H CYS 35 HN CYS 35 -5.795 -6.567 -3.883 243 HA CYS 35 HA CYS 35 -2.970 -5.935 -3.102 244 1HB CYS 35 HB2 CYS 35 -4.028 -7.758 -1.866 245 2HB CYS 35 HB1 CYS 35 -4.505 -8.539 -3.374 246 H TYR 36 HN TYR 36 -1.810 -5.380 -4.907 247 HA TYR 36 HA TYR 36 -2.231 -6.996 -7.403 248 1HB TYR 36 HB2 TYR 36 -2.884 -4.398 -7.096 249 2HB TYR 36 HB1 TYR 36 -1.181 -4.205 -7.514 250 HD1 TYR 36 HD1 TYR 36 -3.620 -6.807 -8.644 251 HD2 TYR 36 HD2 TYR 36 -1.180 -3.447 -9.746 252 HE1 TYR 36 HE1 TYR 36 -4.154 -7.202 -11.034 253 HE2 TYR 36 HE2 TYR 36 -1.715 -3.843 -12.135 254 HH TYR 36 HH TYR 36 -3.607 -6.662 -13.153 255 H ALA 37 HN ALA 37 -0.319 -7.760 -8.363 256 HA ALA 37 HA ALA 37 1.968 -8.370 -8.451 257 1HB ALA 37 HB1 ALA 37 1.977 -5.950 -9.114 258 2HB ALA 37 HB2 ALA 37 3.465 -6.437 -8.302 259 3HB ALA 37 HB3 ALA 37 2.239 -5.524 -7.422 260 H MET 38 HN MET 38 0.496 -8.941 -5.985 261 HA MET 38 HA MET 38 0.954 -9.718 -3.805 262 1HB MET 38 HB2 MET 38 3.799 -9.311 -4.789 263 2HB MET 38 HB1 MET 38 3.319 -10.303 -3.414 264 1HG MET 38 HG2 MET 38 2.068 -10.810 -6.095 265 2HG MET 38 HG1 MET 38 3.685 -11.430 -5.763 266 1HE MET 38 HE1 MET 38 3.671 -13.881 -3.325 267 2HE MET 38 HE2 MET 38 4.367 -12.957 -4.654 268 3HE MET 38 HE3 MET 38 3.371 -14.369 -4.999 269 H SER 39 HN SER 39 1.244 -6.636 -4.704 270 HA SER 39 HA SER 39 2.312 -5.745 -2.044 271 1HB SER 39 HB2 SER 39 2.626 -4.740 -4.856 272 2HB SER 39 HB1 SER 39 2.727 -3.593 -3.524 273 HG SER 39 HG SER 39 4.738 -4.288 -3.554 274 H CYS 40 HN CYS 40 0.953 -4.413 -0.867 275 HA CYS 40 HA CYS 40 -1.819 -4.170 -1.580 276 1HB CYS 40 HB2 CYS 40 -0.531 -4.133 0.700 277 2HB CYS 40 HB1 CYS 40 -0.381 -2.403 0.391 278 H TYR 41 HN TYR 41 -2.966 -2.361 -2.372 279 HA TYR 41 HA TYR 41 -1.428 0.095 -3.068 280 1HB TYR 41 HB2 TYR 41 -1.376 -1.654 -4.924 281 2HB TYR 41 HB1 TYR 41 -3.122 -1.440 -5.059 282 HD1 TYR 41 HD1 TYR 41 -3.797 -0.010 -6.761 283 HD2 TYR 41 HD2 TYR 41 -0.119 0.795 -4.692 284 HE1 TYR 41 HE1 TYR 41 -3.443 2.001 -8.170 285 HE2 TYR 41 HE2 TYR 41 0.234 2.805 -6.100 286 HH TYR 41 HH TYR 41 -0.568 4.070 -7.732 287 H CYS 42 HN CYS 42 -2.677 1.711 -2.183 288 HA CYS 42 HA CYS 42 -5.644 1.340 -2.135 289 1HB CYS 42 HB2 CYS 42 -3.954 3.356 -0.633 290 2HB CYS 42 HB1 CYS 42 -5.594 2.835 -0.258 291 H GLU 43 HN GLU 43 -6.964 2.811 -3.169 292 HA GLU 43 HA GLU 43 -5.616 4.909 -4.823 293 1HB GLU 43 HB2 GLU 43 -6.961 2.957 -5.811 294 2HB GLU 43 HB1 GLU 43 -8.391 3.732 -5.128 295 1HG GLU 43 HG2 GLU 43 -7.661 5.850 -6.360 296 2HG GLU 43 HG1 GLU 43 -6.513 4.828 -7.226 297 H GLY 44 HN GLY 44 -5.728 6.838 -3.687 298 1HA GLY 44 HA2 GLY 44 -7.386 8.719 -3.331 299 2HA GLY 44 HA1 GLY 44 -8.367 7.540 -2.458 300 H LEU 45 HN LEU 45 -4.969 7.234 -2.027 301 HA LEU 45 HA LEU 45 -5.117 7.662 0.810 302 1HB LEU 45 HB2 LEU 45 -2.852 7.509 -1.201 303 2HB LEU 45 HB1 LEU 45 -2.589 7.552 0.540 304 HG LEU 45 HG LEU 45 -4.364 5.504 -0.807 305 1HD1 LEU 45 HD11 LEU 45 -2.332 4.822 -1.666 306 2HD1 LEU 45 HD12 LEU 45 -2.231 4.060 -0.079 307 3HD1 LEU 45 HD13 LEU 45 -1.409 5.591 -0.376 308 1HD2 LEU 45 HD21 LEU 45 -4.951 5.341 1.400 309 2HD2 LEU 45 HD22 LEU 45 -3.471 6.125 1.954 310 3HD2 LEU 45 HD23 LEU 45 -3.452 4.418 1.511 311 HA PRO 46 HA PRO 46 -4.439 11.981 1.155 312 1HB PRO 46 HB2 PRO 46 -2.696 12.141 3.262 313 2HB PRO 46 HB1 PRO 46 -4.409 11.717 3.452 314 1HG PRO 46 HG2 PRO 46 -2.015 9.958 3.437 315 2HG PRO 46 HG1 PRO 46 -3.496 9.843 4.399 316 1HD PRO 46 HD2 PRO 46 -2.979 8.306 2.192 317 2HD PRO 46 HD1 PRO 46 -4.613 8.691 2.772 318 H GLU 47 HN GLU 47 -2.861 13.669 0.698 319 HA GLU 47 HA GLU 47 -0.860 13.020 -1.198 320 1HB GLU 47 HB2 GLU 47 -1.881 15.202 -1.054 321 2HB GLU 47 HB1 GLU 47 -1.316 15.411 0.605 322 1HG GLU 47 HG2 GLU 47 0.090 16.636 -1.054 323 2HG GLU 47 HG1 GLU 47 1.001 15.432 -0.142 324 H ASN 48 HN ASN 48 -0.723 13.087 2.302 325 HA ASN 48 HA ASN 48 2.252 12.724 2.172 326 1HB ASN 48 HB2 ASN 48 2.289 13.704 4.370 327 2HB ASN 48 HB1 ASN 48 1.221 14.708 3.389 328 1HD2 ASN 48 HD21 ASN 48 -0.758 15.152 4.358 329 2HD2 ASN 48 HD22 ASN 48 -1.506 14.187 5.537 330 H ALA 49 HN ALA 49 0.164 10.591 1.815 331 HA ALA 49 HA ALA 49 -0.032 9.042 4.245 332 1HB ALA 49 HB1 ALA 49 -1.232 7.628 2.876 333 2HB ALA 49 HB2 ALA 49 -0.055 7.737 1.567 334 3HB ALA 49 HB3 ALA 49 -1.218 9.038 1.816 335 H LYS 50 HN LYS 50 1.086 6.922 4.566 336 HA LYS 50 HA LYS 50 3.963 7.157 3.908 337 1HB LYS 50 HB2 LYS 50 2.686 6.539 6.167 338 2HB LYS 50 HB1 LYS 50 2.756 4.915 5.483 339 1HG LYS 50 HG2 LYS 50 4.853 4.791 6.314 340 2HG LYS 50 HG1 LYS 50 5.312 5.920 5.040 341 1HD LYS 50 HD2 LYS 50 4.115 7.030 7.548 342 2HD LYS 50 HD1 LYS 50 5.792 6.484 7.590 343 1HE LYS 50 HE2 LYS 50 6.169 8.647 6.859 344 2HE LYS 50 HE1 LYS 50 5.844 7.907 5.280 345 1HZ LYS 50 HZ1 LYS 50 3.414 8.489 6.620 346 2HZ LYS 50 HZ2 LYS 50 3.957 9.041 5.109 347 3HZ LYS 50 HZ3 LYS 50 4.361 9.892 6.522 348 H VAL 51 HN VAL 51 3.832 6.588 1.613 349 HA VAL 51 HA VAL 51 3.489 3.647 1.200 350 HB VAL 51 HB VAL 51 2.401 4.275 -0.999 351 1HG1 VAL 51 HG11 VAL 51 1.298 4.688 1.718 352 2HG1 VAL 51 HG12 VAL 51 0.717 3.655 0.412 353 3HG1 VAL 51 HG13 VAL 51 0.344 5.379 0.405 354 1HG2 VAL 51 HG21 VAL 51 3.264 6.867 -0.154 355 2HG2 VAL 51 HG22 VAL 51 1.501 6.877 -0.211 356 3HG2 VAL 51 HG23 VAL 51 2.427 6.433 -1.645 357 H SER 52 HN SER 52 4.501 3.029 -1.003 358 HA SER 52 HA SER 52 7.176 4.282 -1.162 359 1HB SER 52 HB2 SER 52 6.781 1.812 -1.046 360 2HB SER 52 HB1 SER 52 5.946 1.901 -2.593 361 HG SER 52 HG SER 52 7.910 1.582 -3.317 362 H ASP 53 HN ASP 53 7.580 5.852 -2.663 363 HA ASP 53 HA ASP 53 5.629 6.475 -4.760 364 1HB ASP 53 HB2 ASP 53 7.345 8.274 -5.229 365 2HB ASP 53 HB1 ASP 53 6.775 8.244 -3.560 366 H SER 54 HN SER 54 7.855 4.080 -4.583 367 HA SER 54 HA SER 54 8.614 4.308 -7.478 368 1HB SER 54 HB2 SER 54 10.462 2.680 -6.630 369 2HB SER 54 HB1 SER 54 10.583 4.377 -6.173 370 HG SER 54 HG SER 54 9.796 3.886 -4.172 371 H ALA 55 HN ALA 55 7.655 2.781 -8.769 372 HA ALA 55 HA ALA 55 6.059 0.626 -7.591 373 1HB ALA 55 HB1 ALA 55 5.284 0.366 -9.824 374 2HB ALA 55 HB2 ALA 55 6.762 1.053 -10.498 375 3HB ALA 55 HB3 ALA 55 5.605 2.093 -9.667 376 H THR 56 HN THR 56 9.326 0.917 -8.168 377 HA THR 56 HA THR 56 9.623 -2.044 -8.342 378 HB THR 56 HB THR 56 11.645 -1.083 -9.966 379 HG1 THR 56 HG1 THR 56 11.011 0.703 -10.833 380 1HG2 THR 56 HG21 THR 56 9.156 -2.562 -10.227 381 2HG2 THR 56 HG22 THR 56 10.690 -2.802 -11.064 382 3HG2 THR 56 HG23 THR 56 9.514 -1.645 -11.690 383 H ASN 57 HN ASN 57 9.970 -0.740 -5.980 384 HA ASN 57 HA ASN 57 12.914 -0.242 -5.733 385 1HB ASN 57 HB2 ASN 57 12.202 0.874 -3.597 386 2HB ASN 57 HB1 ASN 57 11.463 1.592 -5.029 387 1HD2 ASN 57 HD21 ASN 57 10.665 0.735 -1.959 388 2HD2 ASN 57 HD22 ASN 57 9.038 0.305 -2.180 389 H ILE 58 HN ILE 58 13.713 -0.976 -3.428 390 HA ILE 58 HA ILE 58 12.445 -3.573 -2.664 391 HB ILE 58 HB ILE 58 15.344 -2.953 -3.300 392 1HG1 ILE 58 HG12 ILE 58 14.594 -5.130 -4.780 393 2HG1 ILE 58 HG11 ILE 58 13.084 -4.220 -4.727 394 1HG2 ILE 58 HG21 ILE 58 15.474 -4.454 -1.501 395 2HG2 ILE 58 HG22 ILE 58 15.497 -5.517 -2.909 396 3HG2 ILE 58 HG23 ILE 58 14.009 -5.307 -1.985 397 1HD1 ILE 58 HD11 ILE 58 14.579 -3.614 -6.666 398 2HD1 ILE 58 HD12 ILE 58 15.749 -3.002 -5.496 399 3HD1 ILE 58 HD13 ILE 58 14.158 -2.252 -5.627 400 H CYS 59 HN CYS 59 12.347 -3.836 -0.448 401 HA CYS 59 HA CYS 59 13.497 -1.701 1.259 402 1HB CYS 59 HB2 CYS 59 11.093 -2.904 1.200 403 2HB CYS 59 HB1 CYS 59 11.908 -3.995 2.321 404 H GLY 60 HN GLY 60 13.402 -3.807 3.509 405 1HA GLY 60 HA2 GLY 60 14.789 -5.650 4.240 406 2HA GLY 60 HA1 GLY 60 15.823 -5.391 2.834 Start of MODEL 15 1 1H LYS 1 HT1 LYS 1 -3.913 11.307 -4.792 2 2H LYS 1 HT2 LYS 1 -2.928 11.376 -3.410 3 3H LYS 1 HT3 LYS 1 -3.979 10.062 -3.643 4 HA LYS 1 HA LYS 1 -2.370 10.180 -5.914 5 1HB LYS 1 HB2 LYS 1 -0.162 10.320 -5.010 6 2HB LYS 1 HB1 LYS 1 -1.039 11.670 -4.290 7 1HG LYS 1 HG2 LYS 1 -1.543 10.140 -2.320 8 2HG LYS 1 HG1 LYS 1 -0.385 9.004 -3.014 9 1HD LYS 1 HD2 LYS 1 1.086 11.279 -3.098 10 2HD LYS 1 HD1 LYS 1 0.092 11.608 -1.678 11 1HE LYS 1 HE2 LYS 1 0.738 9.183 -0.948 12 2HE LYS 1 HE1 LYS 1 2.062 9.369 -2.116 13 1HZ LYS 1 HZ1 LYS 1 2.870 11.243 -1.025 14 2HZ LYS 1 HZ2 LYS 1 2.459 10.203 0.254 15 3HZ LYS 1 HZ3 LYS 1 1.433 11.492 -0.159 16 H ASP 2 HN ASP 2 -1.510 8.035 -6.270 17 HA ASP 2 HA ASP 2 -2.642 5.989 -4.405 18 1HB ASP 2 HB2 ASP 2 -1.592 5.552 -7.205 19 2HB ASP 2 HB1 ASP 2 -2.804 4.614 -6.333 20 H GLY 3 HN GLY 3 -1.267 4.280 -3.663 21 1HA GLY 3 HA2 GLY 3 1.401 3.834 -4.554 22 2HA GLY 3 HA1 GLY 3 1.462 4.940 -3.182 23 H TYR 4 HN TYR 4 2.705 2.772 -2.555 24 HA TYR 4 HA TYR 4 0.822 0.778 -1.383 25 1HB TYR 4 HB2 TYR 4 3.853 0.834 -1.579 26 2HB TYR 4 HB1 TYR 4 2.865 -0.555 -1.129 27 HD1 TYR 4 HD1 TYR 4 1.641 -1.827 -2.789 28 HD2 TYR 4 HD2 TYR 4 3.844 1.692 -3.893 29 HE1 TYR 4 HE1 TYR 4 1.419 -2.437 -5.183 30 HE2 TYR 4 HE2 TYR 4 3.621 1.081 -6.287 31 HH TYR 4 HH TYR 4 3.027 -1.743 -7.413 32 HA PRO 5 HA PRO 5 1.417 2.821 2.497 33 1HB PRO 5 HB2 PRO 5 0.297 0.918 4.097 34 2HB PRO 5 HB1 PRO 5 -0.667 2.020 3.094 35 1HG PRO 5 HG2 PRO 5 0.051 -0.825 2.616 36 2HG PRO 5 HG1 PRO 5 -1.446 0.041 2.241 37 1HD PRO 5 HD2 PRO 5 0.489 -0.556 0.391 38 2HD PRO 5 HD1 PRO 5 -0.658 0.792 0.235 39 H VAL 6 HN VAL 6 3.119 2.783 3.937 40 HA VAL 6 HA VAL 6 4.759 0.271 4.064 41 HB VAL 6 HB VAL 6 6.612 1.929 4.538 42 1HG1 VAL 6 HG11 VAL 6 6.151 1.006 2.269 43 2HG1 VAL 6 HG12 VAL 6 6.799 2.645 2.206 44 3HG1 VAL 6 HG13 VAL 6 5.074 2.369 1.961 45 1HG2 VAL 6 HG21 VAL 6 4.967 3.709 5.326 46 2HG2 VAL 6 HG22 VAL 6 4.565 3.967 3.628 47 3HG2 VAL 6 HG23 VAL 6 6.204 4.274 4.203 48 H ASP 7 HN ASP 7 6.027 0.098 6.145 49 HA ASP 7 HA ASP 7 4.274 0.858 8.451 50 1HB ASP 7 HB2 ASP 7 5.556 -1.050 9.529 51 2HB ASP 7 HB1 ASP 7 4.590 -1.516 8.129 52 H SER 8 HN SER 8 6.000 0.683 10.545 53 HA SER 8 HA SER 8 7.467 3.156 10.461 54 1HB SER 8 HB2 SER 8 8.407 1.971 12.652 55 2HB SER 8 HB1 SER 8 6.736 2.523 12.574 56 HG SER 8 HG SER 8 7.784 -0.037 12.583 57 H LYS 9 HN LYS 9 8.236 0.083 9.241 58 HA LYS 9 HA LYS 9 11.159 0.353 9.638 59 1HB LYS 9 HB2 LYS 9 9.909 -1.801 9.866 60 2HB LYS 9 HB1 LYS 9 9.486 -1.702 8.157 61 1HG LYS 9 HG2 LYS 9 11.476 -3.144 8.544 62 2HG LYS 9 HG1 LYS 9 11.857 -1.744 7.541 63 1HD LYS 9 HD2 LYS 9 13.357 -1.000 9.044 64 2HD LYS 9 HD1 LYS 9 12.162 -1.079 10.340 65 1HE LYS 9 HE2 LYS 9 12.599 -3.567 10.489 66 2HE LYS 9 HE1 LYS 9 13.948 -3.330 9.362 67 1HZ LYS 9 HZ1 LYS 9 13.688 -2.492 12.130 68 2HZ LYS 9 HZ2 LYS 9 14.357 -1.333 11.082 69 3HZ LYS 9 HZ3 LYS 9 15.082 -2.861 11.238 70 H GLY 10 HN GLY 10 8.713 0.844 7.155 71 1HA GLY 10 HA2 GLY 10 9.189 2.385 5.310 72 2HA GLY 10 HA1 GLY 10 10.870 1.849 5.354 73 H CYS 11 HN CYS 11 8.398 -0.558 5.668 74 HA CYS 11 HA CYS 11 9.005 -1.463 2.874 75 1HB CYS 11 HB2 CYS 11 8.177 -3.035 5.338 76 2HB CYS 11 HB1 CYS 11 8.646 -3.720 3.782 77 H LYS 12 HN LYS 12 7.258 -1.788 1.513 78 HA LYS 12 HA LYS 12 4.692 -0.702 2.128 79 1HB LYS 12 HB2 LYS 12 5.430 -2.770 0.037 80 2HB LYS 12 HB1 LYS 12 4.102 -1.614 -0.044 81 1HG LYS 12 HG2 LYS 12 5.457 0.060 -0.740 82 2HG LYS 12 HG1 LYS 12 6.701 -0.344 0.444 83 1HD LYS 12 HD2 LYS 12 7.918 -1.391 -1.131 84 2HD LYS 12 HD1 LYS 12 6.551 -2.429 -1.540 85 1HE LYS 12 HE2 LYS 12 5.786 -0.047 -2.683 86 2HE LYS 12 HE1 LYS 12 7.544 -0.023 -2.925 87 1HZ LYS 12 HZ1 LYS 12 5.560 -1.861 -3.984 88 2HZ LYS 12 HZ2 LYS 12 6.992 -2.583 -3.422 89 3HZ LYS 12 HZ3 LYS 12 7.055 -1.393 -4.632 90 H LEU 13 HN LEU 13 2.626 -1.932 2.257 91 HA LEU 13 HA LEU 13 2.898 -4.299 4.002 92 1HB LEU 13 HB2 LEU 13 1.292 -2.160 4.072 93 2HB LEU 13 HB1 LEU 13 0.280 -3.195 3.063 94 HG LEU 13 HG LEU 13 0.741 -5.016 4.869 95 1HD1 LEU 13 HD11 LEU 13 1.489 -2.453 6.301 96 2HD1 LEU 13 HD12 LEU 13 2.473 -3.905 6.120 97 3HD1 LEU 13 HD13 LEU 13 1.038 -3.934 7.145 98 1HD2 LEU 13 HD21 LEU 13 -1.190 -2.854 4.680 99 2HD2 LEU 13 HD22 LEU 13 -0.960 -3.340 6.360 100 3HD2 LEU 13 HD23 LEU 13 -1.447 -4.533 5.157 101 H SER 14 HN SER 14 2.311 -6.386 3.384 102 HA SER 14 HA SER 14 2.084 -6.930 0.514 103 1HB SER 14 HB2 SER 14 2.238 -8.516 3.073 104 2HB SER 14 HB1 SER 14 1.911 -9.318 1.540 105 HG SER 14 HG SER 14 3.841 -8.376 0.743 106 H CYS 15 HN CYS 15 0.260 -7.845 -0.528 107 HA CYS 15 HA CYS 15 -2.315 -7.618 0.991 108 1HB CYS 15 HB2 CYS 15 -3.289 -7.120 -1.205 109 2HB CYS 15 HB1 CYS 15 -1.915 -6.053 -0.917 110 H VAL 16 HN VAL 16 -3.574 -9.450 1.130 111 HA VAL 16 HA VAL 16 -2.613 -11.897 -0.309 112 HB VAL 16 HB VAL 16 -2.549 -11.795 2.201 113 1HG1 VAL 16 HG11 VAL 16 -5.448 -12.143 2.472 114 2HG1 VAL 16 HG12 VAL 16 -4.999 -10.536 1.899 115 3HG1 VAL 16 HG13 VAL 16 -4.344 -11.146 3.419 116 1HG2 VAL 16 HG21 VAL 16 -3.604 -13.829 0.523 117 2HG2 VAL 16 HG22 VAL 16 -4.589 -13.817 1.985 118 3HG2 VAL 16 HG23 VAL 16 -2.842 -14.026 2.101 119 H ALA 17 HN ALA 17 -5.292 -9.728 0.159 120 HA ALA 17 HA ALA 17 -6.841 -11.168 -1.915 121 1HB ALA 17 HB1 ALA 17 -7.529 -12.241 0.160 122 2HB ALA 17 HB2 ALA 17 -8.837 -11.184 -0.373 123 3HB ALA 17 HB3 ALA 17 -7.769 -10.673 0.934 124 H ASN 18 HN ASN 18 -8.762 -9.809 -2.585 125 HA ASN 18 HA ASN 18 -8.015 -7.010 -2.815 126 1HB ASN 18 HB2 ASN 18 -10.354 -8.748 -3.604 127 2HB ASN 18 HB1 ASN 18 -10.388 -7.007 -3.884 128 1HD2 ASN 18 HD21 ASN 18 -10.355 -8.887 -6.065 129 2HD2 ASN 18 HD22 ASN 18 -8.879 -8.720 -6.884 130 H ASN 19 HN ASN 19 -10.128 -8.863 -0.713 131 HA ASN 19 HA ASN 19 -11.641 -6.586 0.288 132 1HB ASN 19 HB2 ASN 19 -12.391 -8.284 1.946 133 2HB ASN 19 HB1 ASN 19 -12.470 -8.904 0.295 134 1HD2 ASN 19 HD21 ASN 19 -12.130 -10.497 2.792 135 2HD2 ASN 19 HD22 ASN 19 -10.657 -11.323 2.622 136 H TYR 20 HN TYR 20 -8.790 -8.429 1.418 137 HA TYR 20 HA TYR 20 -8.479 -7.228 3.966 138 1HB TYR 20 HB2 TYR 20 -7.159 -9.128 3.294 139 2HB TYR 20 HB1 TYR 20 -6.508 -8.257 1.905 140 HD1 TYR 20 HD1 TYR 20 -6.938 -6.358 4.980 141 HD2 TYR 20 HD2 TYR 20 -4.211 -8.834 2.768 142 HE1 TYR 20 HE1 TYR 20 -5.056 -5.526 6.363 143 HE2 TYR 20 HE2 TYR 20 -2.332 -8.001 4.152 144 HH TYR 20 HH TYR 20 -1.711 -6.607 5.758 145 H CYS 21 HN CYS 21 -7.155 -6.194 0.803 146 HA CYS 21 HA CYS 21 -5.865 -3.823 1.800 147 1HB CYS 21 HB2 CYS 21 -6.747 -4.946 -0.838 148 2HB CYS 21 HB1 CYS 21 -6.223 -3.264 -0.773 149 H ASP 22 HN ASP 22 -9.084 -4.406 0.347 150 HA ASP 22 HA ASP 22 -10.079 -1.820 0.087 151 1HB ASP 22 HB2 ASP 22 -11.264 -3.962 -0.407 152 2HB ASP 22 HB1 ASP 22 -11.472 -4.220 1.327 153 H ASN 23 HN ASN 23 -9.969 -3.773 3.084 154 HA ASN 23 HA ASN 23 -11.034 -1.686 4.788 155 1HB ASN 23 HB2 ASN 23 -11.177 -4.014 5.416 156 2HB ASN 23 HB1 ASN 23 -9.434 -4.224 5.242 157 1HD2 ASN 23 HD21 ASN 23 -10.230 -4.972 7.688 158 2HD2 ASN 23 HD22 ASN 23 -9.941 -3.782 8.863 159 H GLN 24 HN GLN 24 -7.722 -2.965 4.285 160 HA GLN 24 HA GLN 24 -6.303 -1.188 5.956 161 1HB GLN 24 HB2 GLN 24 -5.394 -3.179 4.797 162 2HB GLN 24 HB1 GLN 24 -5.563 -2.355 3.248 163 1HG GLN 24 HG2 GLN 24 -3.235 -2.299 4.313 164 2HG GLN 24 HG1 GLN 24 -3.897 -0.746 3.805 165 1HE2 GLN 24 HE21 GLN 24 -3.302 -2.792 6.670 166 2HE2 GLN 24 HE22 GLN 24 -3.420 -1.529 7.798 167 H CYS 25 HN CYS 25 -6.916 -0.831 2.437 168 HA CYS 25 HA CYS 25 -5.871 1.782 2.120 169 1HB CYS 25 HB2 CYS 25 -8.189 0.335 0.796 170 2HB CYS 25 HB1 CYS 25 -7.458 1.807 0.159 171 H LYS 26 HN LYS 26 -9.251 0.786 2.756 172 HA LYS 26 HA LYS 26 -10.474 3.292 2.999 173 1HB LYS 26 HB2 LYS 26 -11.492 0.983 3.129 174 2HB LYS 26 HB1 LYS 26 -10.890 0.871 4.783 175 1HG LYS 26 HG2 LYS 26 -12.668 2.026 5.531 176 2HG LYS 26 HG1 LYS 26 -12.252 3.376 4.473 177 1HD LYS 26 HD2 LYS 26 -13.357 1.289 2.860 178 2HD LYS 26 HD1 LYS 26 -14.441 1.561 4.225 179 1HE LYS 26 HE2 LYS 26 -14.052 4.113 3.646 180 2HE LYS 26 HE1 LYS 26 -13.634 3.465 2.047 181 1HZ LYS 26 HZ1 LYS 26 -15.896 3.564 1.852 182 2HZ LYS 26 HZ2 LYS 26 -16.172 3.314 3.509 183 3HZ LYS 26 HZ3 LYS 26 -15.747 2.008 2.510 184 H MET 27 HN MET 27 -8.509 1.529 5.378 185 HA MET 27 HA MET 27 -8.916 3.232 7.626 186 1HB MET 27 HB2 MET 27 -6.424 1.715 6.779 187 2HB MET 27 HB1 MET 27 -6.857 2.176 8.425 188 1HG MET 27 HG2 MET 27 -9.075 0.775 7.291 189 2HG MET 27 HG1 MET 27 -7.620 -0.179 6.999 190 1HE MET 27 HE1 MET 27 -7.340 -2.141 8.778 191 2HE MET 27 HE2 MET 27 -6.428 -1.496 10.140 192 3HE MET 27 HE3 MET 27 -6.056 -0.954 8.506 193 H LYS 28 HN LYS 28 -6.575 3.401 4.941 194 HA LYS 28 HA LYS 28 -5.400 5.896 6.003 195 1HB LYS 28 HB2 LYS 28 -4.971 4.235 3.499 196 2HB LYS 28 HB1 LYS 28 -3.984 5.627 3.948 197 1HG LYS 28 HG2 LYS 28 -4.383 3.221 5.747 198 2HG LYS 28 HG1 LYS 28 -3.019 3.393 4.642 199 1HD LYS 28 HD2 LYS 28 -3.610 5.669 6.484 200 2HD LYS 28 HD1 LYS 28 -2.864 4.226 7.170 201 1HE LYS 28 HE2 LYS 28 -0.904 4.491 5.945 202 2HE LYS 28 HE1 LYS 28 -1.723 5.362 4.633 203 1HZ LYS 28 HZ1 LYS 28 -0.339 6.592 6.549 204 2HZ LYS 28 HZ2 LYS 28 -1.879 6.581 7.267 205 3HZ LYS 28 HZ3 LYS 28 -1.652 7.305 5.747 206 H LYS 29 HN LYS 29 -8.295 5.712 5.059 207 HA LYS 29 HA LYS 29 -9.801 7.044 3.831 208 1HB LYS 29 HB2 LYS 29 -8.679 8.786 5.090 209 2HB LYS 29 HB1 LYS 29 -7.318 8.780 3.967 210 1HG LYS 29 HG2 LYS 29 -8.445 9.979 2.382 211 2HG LYS 29 HG1 LYS 29 -9.993 9.224 2.760 212 1HD LYS 29 HD2 LYS 29 -10.186 10.584 4.794 213 2HD LYS 29 HD1 LYS 29 -8.612 11.314 4.471 214 1HE LYS 29 HE2 LYS 29 -10.652 12.685 3.723 215 2HE LYS 29 HE1 LYS 29 -9.435 12.385 2.466 216 1HZ LYS 29 HZ1 LYS 29 -11.874 11.821 1.943 217 2HZ LYS 29 HZ2 LYS 29 -11.627 10.466 2.938 218 3HZ LYS 29 HZ3 LYS 29 -10.684 10.680 1.542 219 H ALA 30 HN ALA 30 -8.235 5.088 2.320 220 HA ALA 30 HA ALA 30 -7.409 6.413 -0.176 221 1HB ALA 30 HB1 ALA 30 -7.554 3.607 0.915 222 2HB ALA 30 HB2 ALA 30 -6.134 4.520 0.405 223 3HB ALA 30 HB3 ALA 30 -7.246 3.874 -0.801 224 H SER 31 HN SER 31 -8.393 5.361 -2.272 225 HA SER 31 HA SER 31 -11.364 5.088 -1.934 226 1HB SER 31 HB2 SER 31 -10.517 7.316 -2.766 227 2HB SER 31 HB1 SER 31 -9.850 6.478 -4.165 228 HG SER 31 HG SER 31 -12.573 6.408 -3.353 229 H GLY 32 HN GLY 32 -8.463 3.817 -3.291 230 1HA GLY 32 HA2 GLY 32 -10.078 1.786 -4.757 231 2HA GLY 32 HA1 GLY 32 -8.717 2.561 -5.570 232 H GLY 33 HN GLY 33 -9.585 0.481 -2.837 233 1HA GLY 33 HA2 GLY 33 -6.728 -0.210 -2.445 234 2HA GLY 33 HA1 GLY 33 -8.056 -0.697 -1.392 235 H HIS 34 HN HIS 34 -5.875 -1.982 -3.415 236 HA HIS 34 HA HIS 34 -7.500 -4.394 -3.871 237 1HB HIS 34 HB2 HIS 34 -7.119 -4.306 -6.324 238 2HB HIS 34 HB1 HIS 34 -8.052 -2.920 -5.764 239 HD1 HIS 34 HD1 HIS 34 -7.190 -0.695 -6.475 240 HD2 HIS 34 HD2 HIS 34 -4.185 -3.584 -6.521 241 HE1 HIS 34 HE1 HIS 34 -5.123 0.437 -7.403 242 H CYS 35 HN CYS 35 -6.152 -6.237 -4.218 243 HA CYS 35 HA CYS 35 -3.335 -5.861 -3.440 244 1HB CYS 35 HB2 CYS 35 -4.630 -7.617 -2.410 245 2HB CYS 35 HB1 CYS 35 -5.123 -8.246 -3.982 246 H TYR 36 HN TYR 36 -1.741 -5.641 -4.935 247 HA TYR 36 HA TYR 36 -1.918 -7.141 -7.500 248 1HB TYR 36 HB2 TYR 36 -2.740 -4.551 -7.364 249 2HB TYR 36 HB1 TYR 36 -1.020 -4.314 -7.678 250 HD1 TYR 36 HD1 TYR 36 -4.101 -4.668 -9.248 251 HD2 TYR 36 HD2 TYR 36 -0.064 -6.115 -9.493 252 HE1 TYR 36 HE1 TYR 36 -4.453 -5.251 -11.634 253 HE2 TYR 36 HE2 TYR 36 -0.416 -6.699 -11.877 254 HH TYR 36 HH TYR 36 -3.006 -5.565 -13.681 255 H ALA 37 HN ALA 37 0.132 -7.779 -8.224 256 HA ALA 37 HA ALA 37 2.482 -8.074 -8.180 257 1HB ALA 37 HB1 ALA 37 1.893 -5.328 -7.670 258 2HB ALA 37 HB2 ALA 37 3.383 -6.007 -8.326 259 3HB ALA 37 HB3 ALA 37 3.201 -5.797 -6.584 260 H MET 38 HN MET 38 0.568 -8.795 -5.868 261 HA MET 38 HA MET 38 0.864 -10.023 -3.864 262 1HB MET 38 HB2 MET 38 3.359 -10.022 -5.214 263 2HB MET 38 HB1 MET 38 3.709 -9.661 -3.524 264 1HG MET 38 HG2 MET 38 3.696 -12.099 -3.927 265 2HG MET 38 HG1 MET 38 2.403 -11.628 -2.823 266 1HE MET 38 HE1 MET 38 1.682 -14.545 -5.730 267 2HE MET 38 HE2 MET 38 2.120 -14.410 -4.029 268 3HE MET 38 HE3 MET 38 3.268 -13.912 -5.269 269 H SER 39 HN SER 39 1.270 -6.808 -4.283 270 HA SER 39 HA SER 39 1.778 -6.331 -1.361 271 1HB SER 39 HB2 SER 39 2.421 -4.500 -3.691 272 2HB SER 39 HB1 SER 39 2.924 -4.299 -2.015 273 HG SER 39 HG SER 39 4.260 -6.039 -2.214 274 H CYS 40 HN CYS 40 0.505 -4.587 -0.425 275 HA CYS 40 HA CYS 40 -2.155 -4.317 -1.629 276 1HB CYS 40 HB2 CYS 40 -1.462 -4.589 0.849 277 2HB CYS 40 HB1 CYS 40 -1.061 -2.873 0.788 278 H TYR 41 HN TYR 41 -2.825 -2.619 -2.870 279 HA TYR 41 HA TYR 41 -1.171 -0.113 -2.867 280 1HB TYR 41 HB2 TYR 41 -0.886 -1.706 -4.823 281 2HB TYR 41 HB1 TYR 41 -2.579 -1.412 -5.218 282 HD1 TYR 41 HD1 TYR 41 -3.177 0.435 -6.538 283 HD2 TYR 41 HD2 TYR 41 0.649 0.379 -4.588 284 HE1 TYR 41 HE1 TYR 41 -2.534 2.504 -7.742 285 HE2 TYR 41 HE2 TYR 41 1.292 2.448 -5.792 286 HH TYR 41 HH TYR 41 -0.129 3.544 -8.447 287 H CYS 42 HN CYS 42 -2.437 1.575 -2.175 288 HA CYS 42 HA CYS 42 -5.399 1.376 -2.559 289 1HB CYS 42 HB2 CYS 42 -3.769 3.172 -0.733 290 2HB CYS 42 HB1 CYS 42 -5.510 2.908 -0.673 291 H GLU 43 HN GLU 43 -6.428 2.895 -3.818 292 HA GLU 43 HA GLU 43 -4.725 5.021 -5.065 293 1HB GLU 43 HB2 GLU 43 -6.006 3.018 -6.263 294 2HB GLU 43 HB1 GLU 43 -7.379 4.116 -6.125 295 1HG GLU 43 HG2 GLU 43 -5.817 5.902 -7.133 296 2HG GLU 43 HG1 GLU 43 -4.776 4.552 -7.585 297 H GLY 44 HN GLY 44 -5.119 6.995 -4.112 298 1HA GLY 44 HA2 GLY 44 -6.946 8.779 -4.116 299 2HA GLY 44 HA1 GLY 44 -7.926 7.588 -3.259 300 H LEU 45 HN LEU 45 -4.669 7.386 -2.352 301 HA LEU 45 HA LEU 45 -5.163 8.152 0.362 302 1HB LEU 45 HB2 LEU 45 -2.664 7.769 -1.314 303 2HB LEU 45 HB1 LEU 45 -2.627 7.988 0.434 304 HG LEU 45 HG LEU 45 -4.295 5.841 -0.887 305 1HD1 LEU 45 HD11 LEU 45 -2.398 4.720 -1.358 306 2HD1 LEU 45 HD12 LEU 45 -2.038 4.694 0.368 307 3HD1 LEU 45 HD13 LEU 45 -1.420 6.000 -0.642 308 1HD2 LEU 45 HD21 LEU 45 -5.024 6.128 1.327 309 2HD2 LEU 45 HD22 LEU 45 -3.407 6.522 1.910 310 3HD2 LEU 45 HD23 LEU 45 -3.812 4.858 1.493 311 HA PRO 46 HA PRO 46 -4.495 12.483 0.342 312 1HB PRO 46 HB2 PRO 46 -2.936 12.877 2.560 313 2HB PRO 46 HB1 PRO 46 -4.659 12.459 2.644 314 1HG PRO 46 HG2 PRO 46 -2.271 10.717 2.982 315 2HG PRO 46 HG1 PRO 46 -3.806 10.711 3.865 316 1HD PRO 46 HD2 PRO 46 -3.204 8.928 1.900 317 2HD PRO 46 HD1 PRO 46 -4.863 9.435 2.274 318 H GLU 47 HN GLU 47 -2.974 14.083 -0.302 319 HA GLU 47 HA GLU 47 -0.810 13.359 -1.918 320 1HB GLU 47 HB2 GLU 47 -1.796 15.525 -2.051 321 2HB GLU 47 HB1 GLU 47 -1.515 15.838 -0.338 322 1HG GLU 47 HG2 GLU 47 0.974 15.207 -1.670 323 2HG GLU 47 HG1 GLU 47 0.164 16.549 -2.477 324 H ASN 48 HN ASN 48 -0.910 13.583 1.569 325 HA ASN 48 HA ASN 48 2.079 13.345 1.654 326 1HB ASN 48 HB2 ASN 48 1.619 14.068 4.095 327 2HB ASN 48 HB1 ASN 48 1.377 15.277 2.834 328 1HD2 ASN 48 HD21 ASN 48 -0.610 16.334 2.933 329 2HD2 ASN 48 HD22 ASN 48 -2.008 15.714 3.668 330 H ALA 49 HN ALA 49 -0.016 11.129 1.282 331 HA ALA 49 HA ALA 49 -0.238 9.625 3.711 332 1HB ALA 49 HB1 ALA 49 -0.024 7.988 1.334 333 2HB ALA 49 HB2 ALA 49 -0.954 9.444 0.982 334 3HB ALA 49 HB3 ALA 49 -1.460 8.369 2.285 335 H LYS 50 HN LYS 50 1.004 7.695 4.299 336 HA LYS 50 HA LYS 50 3.893 8.000 3.692 337 1HB LYS 50 HB2 LYS 50 2.877 7.787 6.018 338 2HB LYS 50 HB1 LYS 50 2.479 6.119 5.606 339 1HG LYS 50 HG2 LYS 50 4.547 5.634 6.408 340 2HG LYS 50 HG1 LYS 50 5.122 6.266 4.865 341 1HD LYS 50 HD2 LYS 50 6.368 7.499 6.432 342 2HD LYS 50 HD1 LYS 50 5.036 8.587 6.042 343 1HE LYS 50 HE2 LYS 50 4.249 6.803 8.187 344 2HE LYS 50 HE1 LYS 50 5.744 7.660 8.611 345 1HZ LYS 50 HZ1 LYS 50 4.730 9.651 8.553 346 2HZ LYS 50 HZ2 LYS 50 3.304 8.757 8.783 347 3HZ LYS 50 HZ3 LYS 50 3.759 9.249 7.222 348 H VAL 51 HN VAL 51 4.047 7.066 1.574 349 HA VAL 51 HA VAL 51 3.647 4.103 1.525 350 HB VAL 51 HB VAL 51 2.731 4.422 -0.800 351 1HG1 VAL 51 HG11 VAL 51 0.538 5.435 -0.008 352 2HG1 VAL 51 HG12 VAL 51 1.330 5.743 1.537 353 3HG1 VAL 51 HG13 VAL 51 1.134 4.088 0.961 354 1HG2 VAL 51 HG21 VAL 51 2.501 6.497 -1.749 355 2HG2 VAL 51 HG22 VAL 51 3.832 6.895 -0.662 356 3HG2 VAL 51 HG23 VAL 51 2.173 7.280 -0.203 357 H SER 52 HN SER 52 4.767 3.203 -0.537 358 HA SER 52 HA SER 52 7.502 4.329 -0.644 359 1HB SER 52 HB2 SER 52 6.954 1.898 -0.293 360 2HB SER 52 HB1 SER 52 6.280 1.860 -1.920 361 HG SER 52 HG SER 52 8.859 2.885 -1.540 362 H ASP 53 HN ASP 53 8.546 4.723 -2.740 363 HA ASP 53 HA ASP 53 6.597 5.615 -4.835 364 1HB ASP 53 HB2 ASP 53 8.223 7.302 -5.352 365 2HB ASP 53 HB1 ASP 53 8.140 7.239 -3.590 366 H SER 54 HN SER 54 8.264 2.948 -4.258 367 HA SER 54 HA SER 54 9.487 2.729 -6.983 368 1HB SER 54 HB2 SER 54 10.444 0.608 -5.698 369 2HB SER 54 HB1 SER 54 11.135 2.206 -5.427 370 HG SER 54 HG SER 54 10.545 1.969 -3.433 371 H ALA 55 HN ALA 55 8.381 1.488 -8.442 372 HA ALA 55 HA ALA 55 5.955 0.071 -7.703 373 1HB ALA 55 HB1 ALA 55 6.405 -0.681 -10.226 374 2HB ALA 55 HB2 ALA 55 7.595 0.619 -10.144 375 3HB ALA 55 HB3 ALA 55 5.891 0.962 -9.842 376 H THR 56 HN THR 56 9.202 -0.769 -7.423 377 HA THR 56 HA THR 56 8.520 -3.592 -6.965 378 HB THR 56 HB THR 56 8.806 -3.711 -9.322 379 HG1 THR 56 HG1 THR 56 11.443 -4.175 -8.465 380 1HG2 THR 56 HG21 THR 56 9.669 -1.521 -9.787 381 2HG2 THR 56 HG22 THR 56 10.848 -2.674 -10.410 382 3HG2 THR 56 HG23 THR 56 11.147 -1.846 -8.881 383 H ASN 57 HN ASN 57 9.375 -3.264 -4.852 384 HA ASN 57 HA ASN 57 12.337 -3.249 -4.713 385 1HB ASN 57 HB2 ASN 57 12.174 -1.439 -2.939 386 2HB ASN 57 HB1 ASN 57 11.788 -0.902 -4.574 387 1HD2 ASN 57 HD21 ASN 57 10.773 -0.208 -1.637 388 2HD2 ASN 57 HD22 ASN 57 9.091 -0.126 -1.853 389 H ILE 58 HN ILE 58 13.004 -3.694 -2.338 390 HA ILE 58 HA ILE 58 10.932 -4.927 -0.644 391 HB ILE 58 HB ILE 58 11.504 -6.563 -2.485 392 1HG1 ILE 58 HG12 ILE 58 12.496 -7.621 0.158 393 2HG1 ILE 58 HG11 ILE 58 10.815 -7.120 -0.026 394 1HG2 ILE 58 HG21 ILE 58 14.140 -6.913 -1.072 395 2HG2 ILE 58 HG22 ILE 58 13.983 -5.753 -2.391 396 3HG2 ILE 58 HG23 ILE 58 13.665 -7.464 -2.679 397 1HD1 ILE 58 HD11 ILE 58 11.638 -8.744 -2.279 398 2HD1 ILE 58 HD12 ILE 58 10.309 -9.005 -1.149 399 3HD1 ILE 58 HD13 ILE 58 11.925 -9.599 -0.763 400 H CYS 59 HN CYS 59 11.716 -5.340 1.482 401 HA CYS 59 HA CYS 59 14.509 -4.379 2.023 402 1HB CYS 59 HB2 CYS 59 13.571 -3.412 4.076 403 2HB CYS 59 HB1 CYS 59 12.653 -2.838 2.683 404 H GLY 60 HN GLY 60 14.644 -5.083 4.699 405 1HA GLY 60 HA2 GLY 60 13.733 -7.386 5.775 406 2HA GLY 60 HA1 GLY 60 14.781 -8.022 4.506 Start of MODEL 16 1 1H LYS 1 HT1 LYS 1 2.701 11.526 6.590 2 2H LYS 1 HT2 LYS 1 2.312 11.388 4.942 3 3H LYS 1 HT3 LYS 1 3.298 10.221 5.687 4 HA LYS 1 HA LYS 1 1.053 10.166 7.226 5 1HB LYS 1 HB2 LYS 1 -0.800 10.233 5.662 6 2HB LYS 1 HB1 LYS 1 0.120 11.725 5.465 7 1HG LYS 1 HG2 LYS 1 1.131 10.972 3.457 8 2HG LYS 1 HG1 LYS 1 0.680 9.295 3.761 9 1HD LYS 1 HD2 LYS 1 -1.779 10.366 3.740 10 2HD LYS 1 HD1 LYS 1 -0.973 11.535 2.694 11 1HE LYS 1 HE2 LYS 1 -0.020 9.390 1.492 12 2HE LYS 1 HE1 LYS 1 -1.417 8.596 2.246 13 1HZ LYS 1 HZ1 LYS 1 -2.893 9.885 1.114 14 2HZ LYS 1 HZ2 LYS 1 -1.644 9.867 -0.039 15 3HZ LYS 1 HZ3 LYS 1 -1.837 11.205 0.991 16 H ASP 2 HN ASP 2 -0.202 8.060 6.708 17 HA ASP 2 HA ASP 2 1.549 6.131 5.223 18 1HB ASP 2 HB2 ASP 2 0.073 5.568 7.806 19 2HB ASP 2 HB1 ASP 2 1.353 4.610 7.063 20 H GLY 3 HN GLY 3 0.258 4.042 4.770 21 1HA GLY 3 HA2 GLY 3 -2.479 3.697 4.921 22 2HA GLY 3 HA1 GLY 3 -2.282 4.794 3.557 23 H TYR 4 HN TYR 4 -3.187 3.015 2.305 24 HA TYR 4 HA TYR 4 -1.173 0.883 1.671 25 1HB TYR 4 HB2 TYR 4 -4.198 0.916 1.376 26 2HB TYR 4 HB1 TYR 4 -3.147 -0.457 1.030 27 HD1 TYR 4 HD1 TYR 4 -2.340 -1.875 2.771 28 HD2 TYR 4 HD2 TYR 4 -4.355 1.796 3.736 29 HE1 TYR 4 HE1 TYR 4 -2.446 -2.558 5.152 30 HE2 TYR 4 HE2 TYR 4 -4.460 1.110 6.118 31 HH TYR 4 HH TYR 4 -2.848 -1.821 7.259 32 HA PRO 5 HA PRO 5 -1.097 3.129 -2.184 33 1HB PRO 5 HB2 PRO 5 0.693 1.492 -3.446 34 2HB PRO 5 HB1 PRO 5 1.176 2.714 -2.252 35 1HG PRO 5 HG2 PRO 5 0.836 -0.224 -1.919 36 2HG PRO 5 HG1 PRO 5 2.058 0.856 -1.230 37 1HD PRO 5 HD2 PRO 5 -0.090 -0.063 0.168 38 2HD PRO 5 HD1 PRO 5 0.709 1.487 0.511 39 H VAL 6 HN VAL 6 -2.307 2.859 -4.039 40 HA VAL 6 HA VAL 6 -3.651 0.221 -4.424 41 HB VAL 6 HB VAL 6 -5.243 1.601 -5.728 42 1HG1 VAL 6 HG11 VAL 6 -5.890 3.163 -3.805 43 2HG1 VAL 6 HG12 VAL 6 -4.447 2.575 -2.978 44 3HG1 VAL 6 HG13 VAL 6 -5.741 1.453 -3.399 45 1HG2 VAL 6 HG21 VAL 6 -3.174 3.228 -6.253 46 2HG2 VAL 6 HG22 VAL 6 -3.845 4.095 -4.872 47 3HG2 VAL 6 HG23 VAL 6 -4.842 3.800 -6.297 48 H ASP 7 HN ASP 7 -4.228 -0.022 -6.920 49 HA ASP 7 HA ASP 7 -1.619 0.159 -8.380 50 1HB ASP 7 HB2 ASP 7 -2.837 -1.690 -9.770 51 2HB ASP 7 HB1 ASP 7 -2.229 -2.101 -8.167 52 H SER 8 HN SER 8 -2.448 -0.190 -10.964 53 HA SER 8 HA SER 8 -3.222 2.402 -11.814 54 1HB SER 8 HB2 SER 8 -3.559 1.183 -14.004 55 2HB SER 8 HB1 SER 8 -2.020 0.845 -13.217 56 HG SER 8 HG SER 8 -2.760 -1.113 -12.599 57 H LYS 9 HN LYS 9 -5.189 -0.120 -10.543 58 HA LYS 9 HA LYS 9 -7.637 1.012 -11.838 59 1HB LYS 9 HB2 LYS 9 -7.274 -1.385 -12.080 60 2HB LYS 9 HB1 LYS 9 -7.063 -1.561 -10.338 61 1HG LYS 9 HG2 LYS 9 -9.344 -1.069 -9.900 62 2HG LYS 9 HG1 LYS 9 -9.598 -0.428 -11.525 63 1HD LYS 9 HD2 LYS 9 -9.560 -2.570 -12.508 64 2HD LYS 9 HD1 LYS 9 -8.769 -3.296 -11.108 65 1HE LYS 9 HE2 LYS 9 -10.817 -2.940 -9.760 66 2HE LYS 9 HE1 LYS 9 -11.616 -2.229 -11.176 67 1HZ LYS 9 HZ1 LYS 9 -11.312 -4.946 -10.564 68 2HZ LYS 9 HZ2 LYS 9 -10.389 -4.630 -11.955 69 3HZ LYS 9 HZ3 LYS 9 -12.046 -4.259 -11.928 70 H GLY 10 HN GLY 10 -5.919 0.901 -8.841 71 1HA GLY 10 HA2 GLY 10 -6.549 2.434 -7.042 72 2HA GLY 10 HA1 GLY 10 -8.235 2.236 -7.520 73 H CYS 11 HN CYS 11 -6.901 -0.777 -7.713 74 HA CYS 11 HA CYS 11 -8.213 -1.650 -5.243 75 1HB CYS 11 HB2 CYS 11 -6.539 -3.112 -7.314 76 2HB CYS 11 HB1 CYS 11 -7.576 -3.875 -6.110 77 H LYS 12 HN LYS 12 -7.167 -2.376 -3.372 78 HA LYS 12 HA LYS 12 -4.646 -1.325 -2.631 79 1HB LYS 12 HB2 LYS 12 -6.299 -3.673 -1.657 80 2HB LYS 12 HB1 LYS 12 -4.883 -3.075 -0.791 81 1HG LYS 12 HG2 LYS 12 -5.894 -0.931 -0.438 82 2HG LYS 12 HG1 LYS 12 -7.202 -1.291 -1.564 83 1HD LYS 12 HD2 LYS 12 -8.102 -1.583 0.642 84 2HD LYS 12 HD1 LYS 12 -7.859 -3.199 -0.022 85 1HE LYS 12 HE2 LYS 12 -6.265 -3.718 1.527 86 2HE LYS 12 HE1 LYS 12 -5.508 -2.116 1.410 87 1HZ LYS 12 HZ1 LYS 12 -6.880 -1.243 2.963 88 2HZ LYS 12 HZ2 LYS 12 -6.976 -2.854 3.495 89 3HZ LYS 12 HZ3 LYS 12 -8.201 -2.205 2.513 90 H LEU 13 HN LEU 13 -2.550 -2.102 -2.842 91 HA LEU 13 HA LEU 13 -2.054 -4.294 -4.717 92 1HB LEU 13 HB2 LEU 13 -0.755 -2.141 -4.525 93 2HB LEU 13 HB1 LEU 13 -0.152 -2.704 -2.965 94 HG LEU 13 HG LEU 13 0.660 -4.795 -4.186 95 1HD1 LEU 13 HD11 LEU 13 1.036 -4.478 -6.635 96 2HD1 LEU 13 HD12 LEU 13 0.073 -3.002 -6.563 97 3HD1 LEU 13 HD13 LEU 13 -0.676 -4.561 -6.218 98 1HD2 LEU 13 HD21 LEU 13 2.246 -2.764 -5.496 99 2HD2 LEU 13 HD22 LEU 13 2.656 -3.749 -4.092 100 3HD2 LEU 13 HD23 LEU 13 1.797 -2.224 -3.878 101 H SER 14 HN SER 14 -2.338 -6.361 -3.926 102 HA SER 14 HA SER 14 -2.199 -7.160 -1.201 103 1HB SER 14 HB2 SER 14 -1.556 -8.853 -3.627 104 2HB SER 14 HB1 SER 14 -2.311 -9.373 -2.123 105 HG SER 14 HG SER 14 -3.605 -8.762 -4.187 106 H CYS 15 HN CYS 15 -0.467 -7.824 0.086 107 HA CYS 15 HA CYS 15 2.258 -7.536 -1.110 108 1HB CYS 15 HB2 CYS 15 2.911 -7.268 1.292 109 2HB CYS 15 HB1 CYS 15 1.713 -6.082 0.779 110 H VAL 16 HN VAL 16 3.622 -9.318 -1.162 111 HA VAL 16 HA VAL 16 2.557 -11.858 0.022 112 HB VAL 16 HB VAL 16 2.860 -11.399 -2.541 113 1HG1 VAL 16 HG11 VAL 16 5.278 -10.585 -2.057 114 2HG1 VAL 16 HG12 VAL 16 5.024 -11.644 -3.444 115 3HG1 VAL 16 HG13 VAL 16 5.674 -12.300 -1.943 116 1HG2 VAL 16 HG21 VAL 16 2.728 -13.652 -2.744 117 2HG2 VAL 16 HG22 VAL 16 2.826 -13.680 -0.983 118 3HG2 VAL 16 HG23 VAL 16 4.284 -13.900 -1.952 119 H ALA 17 HN ALA 17 5.168 -9.595 0.068 120 HA ALA 17 HA ALA 17 6.587 -11.272 2.065 121 1HB ALA 17 HB1 ALA 17 8.414 -10.120 0.094 122 2HB ALA 17 HB2 ALA 17 7.280 -11.257 -0.636 123 3HB ALA 17 HB3 ALA 17 8.318 -11.776 0.692 124 H ASN 18 HN ASN 18 7.332 -9.955 3.691 125 HA ASN 18 HA ASN 18 6.814 -7.191 3.859 126 1HB ASN 18 HB2 ASN 18 8.604 -9.179 5.198 127 2HB ASN 18 HB1 ASN 18 8.858 -7.472 5.562 128 1HD2 ASN 18 HD21 ASN 18 7.957 -9.033 7.660 129 2HD2 ASN 18 HD22 ASN 18 6.321 -8.713 7.982 130 H ASN 19 HN ASN 19 9.561 -8.893 2.447 131 HA ASN 19 HA ASN 19 11.328 -6.615 2.254 132 1HB ASN 19 HB2 ASN 19 12.548 -8.132 0.720 133 2HB ASN 19 HB1 ASN 19 12.027 -8.985 2.168 134 1HD2 ASN 19 HD21 ASN 19 10.906 -10.882 1.809 135 2HD2 ASN 19 HD22 ASN 19 10.135 -11.309 0.359 136 H TYR 20 HN TYR 20 8.968 -8.084 0.006 137 HA TYR 20 HA TYR 20 9.525 -6.463 -2.268 138 1HB TYR 20 HB2 TYR 20 8.131 -8.338 -2.573 139 2HB TYR 20 HB1 TYR 20 7.138 -7.942 -1.171 140 HD1 TYR 20 HD1 TYR 20 4.959 -7.455 -1.828 141 HD2 TYR 20 HD2 TYR 20 8.233 -5.983 -4.187 142 HE1 TYR 20 HE1 TYR 20 3.362 -6.247 -3.291 143 HE2 TYR 20 HE2 TYR 20 6.635 -4.775 -5.650 144 HH TYR 20 HH TYR 20 4.469 -4.515 -6.182 145 H CYS 21 HN CYS 21 7.078 -5.994 0.311 146 HA CYS 21 HA CYS 21 6.146 -3.445 -0.579 147 1HB CYS 21 HB2 CYS 21 6.182 -5.032 1.967 148 2HB CYS 21 HB1 CYS 21 5.642 -3.354 2.028 149 H ASP 22 HN ASP 22 8.889 -4.393 1.452 150 HA ASP 22 HA ASP 22 9.577 -1.870 2.555 151 1HB ASP 22 HB2 ASP 22 10.578 -3.996 3.226 152 2HB ASP 22 HB1 ASP 22 11.269 -4.210 1.617 153 H ASN 23 HN ASN 23 11.006 -3.402 -0.365 154 HA ASN 23 HA ASN 23 12.396 -1.069 -1.257 155 1HB ASN 23 HB2 ASN 23 12.979 -3.236 -2.093 156 2HB ASN 23 HB1 ASN 23 11.321 -3.562 -2.601 157 1HD2 ASN 23 HD21 ASN 23 11.157 -3.428 -4.837 158 2HD2 ASN 23 HD22 ASN 23 11.970 -2.301 -5.812 159 H GLN 24 HN GLN 24 9.121 -2.283 -1.922 160 HA GLN 24 HA GLN 24 8.451 -0.337 -3.941 161 1HB GLN 24 HB2 GLN 24 7.238 -2.422 -3.677 162 2HB GLN 24 HB1 GLN 24 6.833 -2.023 -2.006 163 1HG GLN 24 HG2 GLN 24 4.921 -1.141 -2.825 164 2HG GLN 24 HG1 GLN 24 5.920 0.179 -3.432 165 1HE2 GLN 24 HE21 GLN 24 6.833 -0.144 -5.702 166 2HE2 GLN 24 HE22 GLN 24 5.923 -1.051 -6.812 167 H CYS 25 HN CYS 25 7.292 -0.547 -0.545 168 HA CYS 25 HA CYS 25 6.069 1.933 -0.291 169 1HB CYS 25 HB2 CYS 25 7.810 0.322 1.592 170 2HB CYS 25 HB1 CYS 25 6.930 1.752 2.127 171 H LYS 26 HN LYS 26 9.554 1.252 0.168 172 HA LYS 26 HA LYS 26 10.415 3.892 0.754 173 1HB LYS 26 HB2 LYS 26 11.562 1.483 0.625 174 2HB LYS 26 HB1 LYS 26 12.047 2.063 -0.968 175 1HG LYS 26 HG2 LYS 26 13.046 4.066 0.047 176 2HG LYS 26 HG1 LYS 26 12.543 3.515 1.646 177 1HD LYS 26 HD2 LYS 26 13.856 1.322 0.938 178 2HD LYS 26 HD1 LYS 26 14.695 2.442 -0.136 179 1HE LYS 26 HE2 LYS 26 15.003 3.941 1.947 180 2HE LYS 26 HE1 LYS 26 14.556 2.502 2.884 181 1HZ LYS 26 HZ1 LYS 26 17.024 3.060 1.705 182 2HZ LYS 26 HZ2 LYS 26 16.352 1.761 0.842 183 3HZ LYS 26 HZ3 LYS 26 16.561 1.650 2.524 184 H MET 27 HN MET 27 9.977 2.240 -2.376 185 HA MET 27 HA MET 27 10.961 4.331 -4.057 186 1HB MET 27 HB2 MET 27 9.112 1.975 -4.294 187 2HB MET 27 HB1 MET 27 9.229 3.102 -5.647 188 1HG MET 27 HG2 MET 27 11.836 2.803 -5.227 189 2HG MET 27 HG1 MET 27 11.313 1.276 -4.515 190 1HE MET 27 HE1 MET 27 9.065 0.479 -5.541 191 2HE MET 27 HE2 MET 27 9.997 -0.810 -6.298 192 3HE MET 27 HE3 MET 27 8.845 0.115 -7.258 193 H LYS 28 HN LYS 28 7.843 3.799 -2.500 194 HA LYS 28 HA LYS 28 6.547 6.026 -3.940 195 1HB LYS 28 HB2 LYS 28 5.733 4.161 -1.685 196 2HB LYS 28 HB1 LYS 28 4.649 5.338 -2.428 197 1HG LYS 28 HG2 LYS 28 6.060 3.082 -3.885 198 2HG LYS 28 HG1 LYS 28 4.354 3.105 -3.439 199 1HD LYS 28 HD2 LYS 28 4.275 5.349 -4.758 200 2HD LYS 28 HD1 LYS 28 5.789 4.795 -5.476 201 1HE LYS 28 HE2 LYS 28 3.784 4.128 -6.830 202 2HE LYS 28 HE1 LYS 28 4.691 2.722 -6.238 203 1HZ LYS 28 HZ1 LYS 28 2.079 3.060 -5.807 204 2HZ LYS 28 HZ2 LYS 28 2.706 3.810 -4.418 205 3HZ LYS 28 HZ3 LYS 28 3.091 2.191 -4.760 206 H LYS 29 HN LYS 29 8.899 6.161 -1.816 207 HA LYS 29 HA LYS 29 9.602 7.850 -0.320 208 1HB LYS 29 HB2 LYS 29 8.101 9.149 -1.994 209 2HB LYS 29 HB1 LYS 29 6.888 9.105 -0.713 210 1HG LYS 29 HG2 LYS 29 8.148 10.435 0.717 211 2HG LYS 29 HG1 LYS 29 9.674 9.989 -0.046 212 1HD LYS 29 HD2 LYS 29 8.653 11.201 -2.145 213 2HD LYS 29 HD1 LYS 29 7.622 11.988 -0.948 214 1HE LYS 29 HE2 LYS 29 9.783 12.536 0.334 215 2HE LYS 29 HE1 LYS 29 10.642 12.077 -1.151 216 1HZ LYS 29 HZ1 LYS 29 8.318 13.780 -1.508 217 2HZ LYS 29 HZ2 LYS 29 9.831 13.832 -2.279 218 3HZ LYS 29 HZ3 LYS 29 9.636 14.516 -0.736 219 H ALA 30 HN ALA 30 8.740 5.567 0.879 220 HA ALA 30 HA ALA 30 6.942 6.508 3.093 221 1HB ALA 30 HB1 ALA 30 7.449 3.726 1.989 222 2HB ALA 30 HB2 ALA 30 6.036 4.720 1.636 223 3HB ALA 30 HB3 ALA 30 6.311 4.127 3.275 224 H SER 31 HN SER 31 7.490 5.587 5.240 225 HA SER 31 HA SER 31 10.437 5.112 5.521 226 1HB SER 31 HB2 SER 31 8.770 5.856 7.856 227 2HB SER 31 HB1 SER 31 10.333 6.488 7.349 228 HG SER 31 HG SER 31 8.868 8.094 6.988 229 H GLY 32 HN GLY 32 7.234 3.881 6.278 230 1HA GLY 32 HA2 GLY 32 8.525 1.508 7.566 231 2HA GLY 32 HA1 GLY 32 6.982 2.154 8.124 232 H GLY 33 HN GLY 33 8.561 0.691 5.290 233 1HA GLY 33 HA2 GLY 33 5.919 0.060 4.121 234 2HA GLY 33 HA1 GLY 33 7.483 -0.236 3.360 235 H HIS 34 HN HIS 34 4.915 -1.822 4.613 236 HA HIS 34 HA HIS 34 6.451 -4.312 4.934 237 1HB HIS 34 HB2 HIS 34 5.869 -4.650 7.238 238 2HB HIS 34 HB1 HIS 34 6.493 -3.005 7.132 239 HD1 HIS 34 HD1 HIS 34 5.090 -1.447 8.456 240 HD2 HIS 34 HD2 HIS 34 2.783 -4.444 6.702 241 HE1 HIS 34 HE1 HIS 34 2.691 -0.992 9.128 242 H CYS 35 HN CYS 35 5.034 -6.183 4.898 243 HA CYS 35 HA CYS 35 2.527 -5.731 3.459 244 1HB CYS 35 HB2 CYS 35 3.919 -7.567 2.817 245 2HB CYS 35 HB1 CYS 35 4.075 -8.122 4.482 246 H TYR 36 HN TYR 36 0.457 -5.870 4.322 247 HA TYR 36 HA TYR 36 0.047 -7.027 7.018 248 1HB TYR 36 HB2 TYR 36 0.674 -4.364 6.732 249 2HB TYR 36 HB1 TYR 36 -1.089 -4.323 6.708 250 HD1 TYR 36 HD1 TYR 36 1.873 -5.395 8.673 251 HD2 TYR 36 HD2 TYR 36 -2.384 -4.820 8.667 252 HE1 TYR 36 HE1 TYR 36 1.828 -5.713 11.132 253 HE2 TYR 36 HE2 TYR 36 -2.430 -5.137 11.127 254 HH TYR 36 HH TYR 36 -1.186 -5.982 12.894 255 H ALA 37 HN ALA 37 -2.044 -7.830 7.224 256 HA ALA 37 HA ALA 37 -4.199 -8.508 6.520 257 1HB ALA 37 HB1 ALA 37 -5.435 -6.480 5.450 258 2HB ALA 37 HB2 ALA 37 -3.938 -5.600 5.760 259 3HB ALA 37 HB3 ALA 37 -4.838 -6.307 7.101 260 H MET 38 HN MET 38 -2.025 -9.183 4.719 261 HA MET 38 HA MET 38 -1.746 -9.983 2.510 262 1HB MET 38 HB2 MET 38 -4.327 -10.436 3.329 263 2HB MET 38 HB1 MET 38 -4.589 -9.514 1.848 264 1HG MET 38 HG2 MET 38 -2.678 -11.851 1.941 265 2HG MET 38 HG1 MET 38 -4.394 -12.069 1.601 266 1HE MET 38 HE1 MET 38 -3.984 -12.679 -1.605 267 2HE MET 38 HE2 MET 38 -3.329 -13.287 -0.087 268 3HE MET 38 HE3 MET 38 -2.235 -12.702 -1.337 269 H SER 39 HN SER 39 -2.134 -6.916 3.258 270 HA SER 39 HA SER 39 -2.174 -5.993 0.406 271 1HB SER 39 HB2 SER 39 -3.680 -5.075 2.834 272 2HB SER 39 HB1 SER 39 -3.253 -3.890 1.603 273 HG SER 39 HG SER 39 -4.217 -5.439 0.084 274 H CYS 40 HN CYS 40 -0.504 -4.583 -0.083 275 HA CYS 40 HA CYS 40 1.701 -4.257 1.724 276 1HB CYS 40 HB2 CYS 40 1.493 -4.211 -0.879 277 2HB CYS 40 HB1 CYS 40 1.129 -2.500 -0.657 278 H TYR 41 HN TYR 41 2.130 -2.640 3.187 279 HA TYR 41 HA TYR 41 0.398 -0.191 3.148 280 1HB TYR 41 HB2 TYR 41 -0.376 -1.823 4.826 281 2HB TYR 41 HB1 TYR 41 1.249 -1.905 5.507 282 HD1 TYR 41 HD1 TYR 41 2.023 -0.269 7.051 283 HD2 TYR 41 HD2 TYR 41 -1.626 0.380 4.881 284 HE1 TYR 41 HE1 TYR 41 1.523 1.697 8.480 285 HE2 TYR 41 HE2 TYR 41 -2.128 2.343 6.310 286 HH TYR 41 HH TYR 41 -1.452 3.612 7.990 287 H CYS 42 HN CYS 42 1.685 1.610 3.053 288 HA CYS 42 HA CYS 42 4.516 1.363 4.009 289 1HB CYS 42 HB2 CYS 42 3.343 3.325 2.019 290 2HB CYS 42 HB1 CYS 42 5.046 2.954 2.284 291 H GLU 43 HN GLU 43 5.206 2.799 5.576 292 HA GLU 43 HA GLU 43 3.220 4.812 6.554 293 1HB GLU 43 HB2 GLU 43 3.765 3.303 8.280 294 2HB GLU 43 HB1 GLU 43 5.449 3.186 7.770 295 1HG GLU 43 HG2 GLU 43 5.977 5.333 8.646 296 2HG GLU 43 HG1 GLU 43 4.276 5.770 8.809 297 H GLY 44 HN GLY 44 3.699 6.739 5.500 298 1HA GLY 44 HA2 GLY 44 5.431 8.622 6.034 299 2HA GLY 44 HA1 GLY 44 6.567 7.518 5.259 300 H LEU 45 HN LEU 45 3.733 7.005 3.677 301 HA LEU 45 HA LEU 45 4.482 8.020 1.189 302 1HB LEU 45 HB2 LEU 45 1.833 7.527 2.550 303 2HB LEU 45 HB1 LEU 45 1.893 8.089 0.879 304 HG LEU 45 HG LEU 45 3.627 5.774 1.634 305 1HD1 LEU 45 HD11 LEU 45 0.683 5.824 1.795 306 2HD1 LEU 45 HD12 LEU 45 1.826 4.658 2.460 307 3HD1 LEU 45 HD13 LEU 45 1.330 4.542 0.772 308 1HD2 LEU 45 HD21 LEU 45 3.690 6.754 -0.632 309 2HD2 LEU 45 HD22 LEU 45 1.954 6.488 -0.799 310 3HD2 LEU 45 HD23 LEU 45 3.050 5.110 -0.683 311 HA PRO 46 HA PRO 46 3.979 12.377 1.363 312 1HB PRO 46 HB2 PRO 46 2.933 12.930 -1.106 313 2HB PRO 46 HB1 PRO 46 4.624 12.459 -0.854 314 1HG PRO 46 HG2 PRO 46 2.327 10.822 -1.796 315 2HG PRO 46 HG1 PRO 46 4.020 10.797 -2.312 316 1HD PRO 46 HD2 PRO 46 2.929 8.955 -0.618 317 2HD PRO 46 HD1 PRO 46 4.651 9.391 -0.623 318 H GLU 47 HN GLU 47 2.399 13.892 1.967 319 HA GLU 47 HA GLU 47 -0.093 13.159 2.934 320 1HB GLU 47 HB2 GLU 47 1.182 15.343 3.155 321 2HB GLU 47 HB1 GLU 47 0.535 15.795 1.578 322 1HG GLU 47 HG2 GLU 47 -1.781 15.346 2.524 323 2HG GLU 47 HG1 GLU 47 -1.020 15.224 4.111 324 H ASN 48 HN ASN 48 0.793 13.742 -0.408 325 HA ASN 48 HA ASN 48 -2.079 13.457 -1.219 326 1HB ASN 48 HB2 ASN 48 -1.357 14.602 -3.264 327 2HB ASN 48 HB1 ASN 48 -0.830 15.529 -1.859 328 1HD2 ASN 48 HD21 ASN 48 0.734 16.241 -3.815 329 2HD2 ASN 48 HD22 ASN 48 2.202 15.392 -3.887 330 H ALA 49 HN ALA 49 -0.232 11.224 -0.483 331 HA ALA 49 HA ALA 49 0.744 9.916 -2.860 332 1HB ALA 49 HB1 ALA 49 -0.182 8.482 -0.386 333 2HB ALA 49 HB2 ALA 49 1.174 9.604 -0.277 334 3HB ALA 49 HB3 ALA 49 1.269 8.206 -1.349 335 H LYS 50 HN LYS 50 -0.203 7.976 -3.850 336 HA LYS 50 HA LYS 50 -3.160 8.164 -4.054 337 1HB LYS 50 HB2 LYS 50 -1.229 7.987 -5.908 338 2HB LYS 50 HB1 LYS 50 -1.476 6.262 -5.635 339 1HG LYS 50 HG2 LYS 50 -4.062 7.181 -5.790 340 2HG LYS 50 HG1 LYS 50 -3.236 8.220 -6.952 341 1HD LYS 50 HD2 LYS 50 -3.227 5.191 -6.907 342 2HD LYS 50 HD1 LYS 50 -4.002 6.225 -8.107 343 1HE LYS 50 HE2 LYS 50 -2.054 6.531 -9.241 344 2HE LYS 50 HE1 LYS 50 -1.142 6.826 -7.747 345 1HZ LYS 50 HZ1 LYS 50 -1.697 4.279 -7.410 346 2HZ LYS 50 HZ2 LYS 50 -0.318 4.785 -8.262 347 3HZ LYS 50 HZ3 LYS 50 -1.711 4.299 -9.106 348 H VAL 51 HN VAL 51 -3.170 7.189 -1.728 349 HA VAL 51 HA VAL 51 -3.007 4.195 -1.900 350 HB VAL 51 HB VAL 51 -2.579 4.368 0.575 351 1HG1 VAL 51 HG11 VAL 51 -0.463 4.204 -0.170 352 2HG1 VAL 51 HG12 VAL 51 -0.371 5.965 -0.121 353 3HG1 VAL 51 HG13 VAL 51 -0.847 5.148 -1.610 354 1HG2 VAL 51 HG21 VAL 51 -2.693 6.352 1.673 355 2HG2 VAL 51 HG22 VAL 51 -3.564 6.934 0.254 356 3HG2 VAL 51 HG23 VAL 51 -1.827 7.204 0.394 357 H SER 52 HN SER 52 -4.524 3.170 -0.197 358 HA SER 52 HA SER 52 -7.224 4.293 -0.573 359 1HB SER 52 HB2 SER 52 -6.737 1.906 -0.905 360 2HB SER 52 HB1 SER 52 -6.148 1.780 0.750 361 HG SER 52 HG SER 52 -8.623 1.517 -0.124 362 H ASP 53 HN ASP 53 -8.399 5.288 1.046 363 HA ASP 53 HA ASP 53 -7.012 5.969 3.553 364 1HB ASP 53 HB2 ASP 53 -8.961 7.451 3.821 365 2HB ASP 53 HB1 ASP 53 -8.313 7.592 2.187 366 H SER 54 HN SER 54 -8.105 3.139 2.938 367 HA SER 54 HA SER 54 -9.359 2.757 5.591 368 1HB SER 54 HB2 SER 54 -11.367 1.795 4.670 369 2HB SER 54 HB1 SER 54 -11.124 3.338 3.856 370 HG SER 54 HG SER 54 -11.234 0.871 2.816 371 H ALA 55 HN ALA 55 -8.729 0.801 6.436 372 HA ALA 55 HA ALA 55 -6.811 -0.856 5.051 373 1HB ALA 55 HB1 ALA 55 -8.466 -1.240 7.568 374 2HB ALA 55 HB2 ALA 55 -6.855 -0.526 7.481 375 3HB ALA 55 HB3 ALA 55 -7.082 -2.238 7.120 376 H THR 56 HN THR 56 -10.163 -0.656 4.766 377 HA THR 56 HA THR 56 -10.270 -3.378 3.540 378 HB THR 56 HB THR 56 -12.022 -2.180 5.694 379 HG1 THR 56 HG1 THR 56 -11.450 -4.032 6.749 380 1HG2 THR 56 HG21 THR 56 -13.358 -4.381 5.291 381 2HG2 THR 56 HG22 THR 56 -12.647 -4.323 3.678 382 3HG2 THR 56 HG23 THR 56 -13.669 -3.000 4.239 383 H ASN 57 HN ASN 57 -10.650 -2.748 1.417 384 HA ASN 57 HA ASN 57 -13.106 -1.134 0.914 385 1HB ASN 57 HB2 ASN 57 -11.937 0.437 -0.418 386 2HB ASN 57 HB1 ASN 57 -10.879 0.203 0.973 387 1HD2 ASN 57 HD21 ASN 57 -10.140 0.967 -1.855 388 2HD2 ASN 57 HD22 ASN 57 -9.030 -0.215 -2.360 389 H ILE 58 HN ILE 58 -13.528 -1.172 -1.584 390 HA ILE 58 HA ILE 58 -12.622 -3.745 -2.793 391 HB ILE 58 HB ILE 58 -15.441 -2.698 -2.399 392 1HG1 ILE 58 HG12 ILE 58 -14.136 -5.292 -1.518 393 2HG1 ILE 58 HG11 ILE 58 -14.333 -3.882 -0.476 394 1HG2 ILE 58 HG21 ILE 58 -15.478 -5.300 -3.468 395 2HG2 ILE 58 HG22 ILE 58 -14.324 -4.399 -4.451 396 3HG2 ILE 58 HG23 ILE 58 -15.978 -3.813 -4.275 397 1HD1 ILE 58 HD11 ILE 58 -16.622 -4.136 -0.324 398 2HD1 ILE 58 HD12 ILE 58 -16.162 -5.826 -0.535 399 3HD1 ILE 58 HD13 ILE 58 -16.750 -4.893 -1.911 400 H CYS 59 HN CYS 59 -12.727 -3.709 -5.136 401 HA CYS 59 HA CYS 59 -13.446 -1.089 -6.380 402 1HB CYS 59 HB2 CYS 59 -11.271 -1.182 -7.597 403 2HB CYS 59 HB1 CYS 59 -11.053 -1.062 -5.851 404 H GLY 60 HN GLY 60 -15.288 -2.373 -7.191 405 1HA GLY 60 HA2 GLY 60 -14.499 -4.040 -9.539 406 2HA GLY 60 HA1 GLY 60 -15.767 -4.595 -8.444 Start of MODEL 17 1 1H LYS 1 HT1 LYS 1 2.086 11.190 2.432 2 2H LYS 1 HT2 LYS 1 3.370 11.059 3.537 3 3H LYS 1 HT3 LYS 1 2.330 12.402 3.594 4 HA LYS 1 HA LYS 1 1.694 10.960 5.371 5 1HB LYS 1 HB2 LYS 1 -0.630 10.558 4.611 6 2HB LYS 1 HB1 LYS 1 -0.035 12.113 4.028 7 1HG LYS 1 HG2 LYS 1 0.274 11.311 1.831 8 2HG LYS 1 HG1 LYS 1 0.236 9.624 2.347 9 1HD LYS 1 HD2 LYS 1 -2.215 10.544 3.203 10 2HD LYS 1 HD1 LYS 1 -1.992 11.431 1.695 11 1HE LYS 1 HE2 LYS 1 -1.188 8.640 1.404 12 2HE LYS 1 HE1 LYS 1 -2.883 8.791 1.910 13 1HZ LYS 1 HZ1 LYS 1 -3.431 10.008 0.077 14 2HZ LYS 1 HZ2 LYS 1 -2.198 9.057 -0.604 15 3HZ LYS 1 HZ3 LYS 1 -1.874 10.652 -0.113 16 H ASP 2 HN ASP 2 0.913 8.784 5.997 17 HA ASP 2 HA ASP 2 2.238 6.650 4.382 18 1HB ASP 2 HB2 ASP 2 1.065 6.374 7.151 19 2HB ASP 2 HB1 ASP 2 2.419 5.498 6.439 20 H GLY 3 HN GLY 3 1.022 4.583 4.107 21 1HA GLY 3 HA2 GLY 3 -1.634 4.086 4.778 22 2HA GLY 3 HA1 GLY 3 -1.734 5.087 3.330 23 H TYR 4 HN TYR 4 -2.775 3.039 2.522 24 HA TYR 4 HA TYR 4 -0.767 0.981 1.685 25 1HB TYR 4 HB2 TYR 4 -3.805 0.930 1.714 26 2HB TYR 4 HB1 TYR 4 -2.747 -0.446 1.406 27 HD1 TYR 4 HD1 TYR 4 -2.046 -1.802 3.188 28 HD2 TYR 4 HD2 TYR 4 -3.489 2.164 3.994 29 HE1 TYR 4 HE1 TYR 4 -1.932 -2.254 5.625 30 HE2 TYR 4 HE2 TYR 4 -3.374 1.711 6.429 31 HH TYR 4 HH TYR 4 -2.009 -1.310 7.673 32 HA PRO 5 HA PRO 5 -1.193 2.781 -2.349 33 1HB PRO 5 HB2 PRO 5 0.204 0.881 -3.724 34 2HB PRO 5 HB1 PRO 5 0.987 2.116 -2.716 35 1HG PRO 5 HG2 PRO 5 0.447 -0.747 -2.124 36 2HG PRO 5 HG1 PRO 5 1.834 0.259 -1.678 37 1HD PRO 5 HD2 PRO 5 -0.214 -0.394 0.031 38 2HD PRO 5 HD1 PRO 5 0.818 1.043 0.207 39 H VAL 6 HN VAL 6 -2.691 2.520 -3.997 40 HA VAL 6 HA VAL 6 -4.112 -0.125 -4.162 41 HB VAL 6 HB VAL 6 -6.052 1.335 -4.884 42 1HG1 VAL 6 HG11 VAL 6 -4.790 1.741 -2.160 43 2HG1 VAL 6 HG12 VAL 6 -6.007 0.547 -2.611 44 3HG1 VAL 6 HG13 VAL 6 -6.430 2.258 -2.553 45 1HG2 VAL 6 HG21 VAL 6 -5.847 3.598 -5.055 46 2HG2 VAL 6 HG22 VAL 6 -4.127 3.249 -5.228 47 3HG2 VAL 6 HG23 VAL 6 -4.781 3.704 -3.654 48 H ASP 7 HN ASP 7 -5.180 -0.371 -6.411 49 HA ASP 7 HA ASP 7 -3.166 0.431 -8.473 50 1HB ASP 7 HB2 ASP 7 -4.031 -1.556 -9.663 51 2HB ASP 7 HB1 ASP 7 -3.535 -1.975 -8.023 52 H SER 8 HN SER 8 -4.463 0.280 -10.783 53 HA SER 8 HA SER 8 -6.001 2.647 -11.012 54 1HB SER 8 HB2 SER 8 -6.567 1.636 -13.259 55 2HB SER 8 HB1 SER 8 -4.848 1.608 -12.875 56 HG SER 8 HG SER 8 -6.455 -0.553 -12.105 57 H LYS 9 HN LYS 9 -6.955 -0.555 -10.020 58 HA LYS 9 HA LYS 9 -9.818 -0.105 -10.572 59 1HB LYS 9 HB2 LYS 9 -8.508 -2.310 -10.698 60 2HB LYS 9 HB1 LYS 9 -8.521 -2.294 -8.934 61 1HG LYS 9 HG2 LYS 9 -10.429 -3.569 -9.514 62 2HG LYS 9 HG1 LYS 9 -11.074 -1.971 -9.140 63 1HD LYS 9 HD2 LYS 9 -10.878 -1.450 -11.629 64 2HD LYS 9 HD1 LYS 9 -10.575 -3.171 -11.872 65 1HE LYS 9 HE2 LYS 9 -12.911 -2.639 -10.159 66 2HE LYS 9 HE1 LYS 9 -13.087 -2.031 -11.817 67 1HZ LYS 9 HZ1 LYS 9 -12.463 -4.146 -12.688 68 2HZ LYS 9 HZ2 LYS 9 -13.699 -4.414 -11.553 69 3HZ LYS 9 HZ3 LYS 9 -12.083 -4.745 -11.147 70 H GLY 10 HN GLY 10 -7.563 0.200 -7.886 71 1HA GLY 10 HA2 GLY 10 -8.173 1.744 -6.062 72 2HA GLY 10 HA1 GLY 10 -9.837 1.179 -6.213 73 H CYS 11 HN CYS 11 -7.858 -1.461 -6.593 74 HA CYS 11 HA CYS 11 -8.493 -2.440 -3.886 75 1HB CYS 11 HB2 CYS 11 -6.968 -3.809 -6.117 76 2HB CYS 11 HB1 CYS 11 -7.906 -4.565 -4.829 77 H LYS 12 HN LYS 12 -6.974 -2.695 -2.259 78 HA LYS 12 HA LYS 12 -4.480 -1.300 -2.352 79 1HB LYS 12 HB2 LYS 12 -5.493 -3.518 -0.540 80 2HB LYS 12 HB1 LYS 12 -4.151 -2.435 -0.166 81 1HG LYS 12 HG2 LYS 12 -5.526 -0.620 0.188 82 2HG LYS 12 HG1 LYS 12 -6.734 -1.180 -0.969 83 1HD LYS 12 HD2 LYS 12 -7.883 -1.628 0.972 84 2HD LYS 12 HD1 LYS 12 -6.985 -3.141 0.840 85 1HE LYS 12 HE2 LYS 12 -5.586 -0.903 2.226 86 2HE LYS 12 HE1 LYS 12 -6.941 -1.655 3.091 87 1HZ LYS 12 HZ1 LYS 12 -4.896 -2.879 3.494 88 2HZ LYS 12 HZ2 LYS 12 -4.671 -3.099 1.824 89 3HZ LYS 12 HZ3 LYS 12 -5.988 -3.830 2.612 90 H LEU 13 HN LEU 13 -2.318 -2.177 -2.386 91 HA LEU 13 HA LEU 13 -1.973 -4.433 -4.214 92 1HB LEU 13 HB2 LEU 13 -0.668 -2.162 -3.862 93 2HB LEU 13 HB1 LEU 13 0.217 -3.089 -2.652 94 HG LEU 13 HG LEU 13 0.654 -4.832 -4.427 95 1HD1 LEU 13 HD11 LEU 13 -0.148 -2.691 -6.396 96 2HD1 LEU 13 HD12 LEU 13 -1.304 -3.908 -5.857 97 3HD1 LEU 13 HD13 LEU 13 0.165 -4.400 -6.697 98 1HD2 LEU 13 HD21 LEU 13 2.613 -3.770 -4.883 99 2HD2 LEU 13 HD22 LEU 13 1.977 -2.482 -3.861 100 3HD2 LEU 13 HD23 LEU 13 1.795 -2.389 -5.612 101 H SER 14 HN SER 14 -2.503 -6.394 -3.192 102 HA SER 14 HA SER 14 -2.128 -7.145 -0.517 103 1HB SER 14 HB2 SER 14 -1.978 -8.657 -3.134 104 2HB SER 14 HB1 SER 14 -1.939 -9.477 -1.576 105 HG SER 14 HG SER 14 -3.994 -7.997 -2.792 106 H CYS 15 HN CYS 15 -0.404 -8.549 0.425 107 HA CYS 15 HA CYS 15 2.258 -8.305 -0.903 108 1HB CYS 15 HB2 CYS 15 3.158 -7.440 1.265 109 2HB CYS 15 HB1 CYS 15 1.968 -6.354 0.546 110 H VAL 16 HN VAL 16 3.650 -10.021 -0.393 111 HA VAL 16 HA VAL 16 2.516 -12.154 1.390 112 HB VAL 16 HB VAL 16 2.723 -12.595 -1.081 113 1HG1 VAL 16 HG11 VAL 16 5.126 -12.996 -1.855 114 2HG1 VAL 16 HG12 VAL 16 5.633 -12.098 -0.423 115 3HG1 VAL 16 HG13 VAL 16 4.652 -11.308 -1.658 116 1HG2 VAL 16 HG21 VAL 16 4.689 -14.265 0.504 117 2HG2 VAL 16 HG22 VAL 16 3.639 -14.788 -0.813 118 3HG2 VAL 16 HG23 VAL 16 2.946 -14.370 0.754 119 H ALA 17 HN ALA 17 5.199 -10.036 0.788 120 HA ALA 17 HA ALA 17 6.615 -11.171 3.159 121 1HB ALA 17 HB1 ALA 17 7.365 -11.890 0.697 122 2HB ALA 17 HB2 ALA 17 8.561 -11.567 1.953 123 3HB ALA 17 HB3 ALA 17 8.187 -10.331 0.752 124 H ASN 18 HN ASN 18 8.258 -9.581 3.998 125 HA ASN 18 HA ASN 18 7.186 -6.856 3.950 126 1HB ASN 18 HB2 ASN 18 9.342 -8.409 5.349 127 2HB ASN 18 HB1 ASN 18 9.381 -6.646 5.430 128 1HD2 ASN 18 HD21 ASN 18 8.939 -7.583 7.864 129 2HD2 ASN 18 HD22 ASN 18 7.299 -7.585 8.303 130 H ASN 19 HN ASN 19 10.289 -8.369 2.956 131 HA ASN 19 HA ASN 19 11.702 -6.174 2.017 132 1HB ASN 19 HB2 ASN 19 12.862 -7.764 0.685 133 2HB ASN 19 HB1 ASN 19 12.179 -8.729 1.991 134 1HD2 ASN 19 HD21 ASN 19 11.155 -10.580 1.266 135 2HD2 ASN 19 HD22 ASN 19 10.405 -10.763 -0.245 136 H TYR 20 HN TYR 20 8.943 -7.776 0.501 137 HA TYR 20 HA TYR 20 8.921 -6.632 -2.061 138 1HB TYR 20 HB2 TYR 20 7.391 -8.361 -1.234 139 2HB TYR 20 HB1 TYR 20 6.673 -7.216 -0.103 140 HD1 TYR 20 HD1 TYR 20 5.032 -5.620 -0.811 141 HD2 TYR 20 HD2 TYR 20 7.093 -8.045 -3.696 142 HE1 TYR 20 HE1 TYR 20 3.428 -4.902 -2.560 143 HE2 TYR 20 HE2 TYR 20 5.490 -7.325 -5.446 144 HH TYR 20 HH TYR 20 3.937 -5.612 -5.922 145 H CYS 21 HN CYS 21 7.232 -5.354 0.826 146 HA CYS 21 HA CYS 21 6.541 -2.831 -0.379 147 1HB CYS 21 HB2 CYS 21 6.776 -3.846 2.468 148 2HB CYS 21 HB1 CYS 21 6.062 -2.291 2.051 149 H ASP 22 HN ASP 22 9.255 -3.897 1.659 150 HA ASP 22 HA ASP 22 10.440 -1.502 2.414 151 1HB ASP 22 HB2 ASP 22 11.163 -3.899 2.828 152 2HB ASP 22 HB1 ASP 22 11.906 -3.873 1.227 153 H ASN 23 HN ASN 23 11.450 -3.226 -0.574 154 HA ASN 23 HA ASN 23 12.822 -0.953 -1.662 155 1HB ASN 23 HB2 ASN 23 12.847 -3.563 -2.139 156 2HB ASN 23 HB1 ASN 23 11.665 -3.125 -3.374 157 1HD2 ASN 23 HD21 ASN 23 12.393 -1.762 -5.164 158 2HD2 ASN 23 HD22 ASN 23 14.044 -1.486 -5.451 159 H GLN 24 HN GLN 24 9.652 -2.388 -2.612 160 HA GLN 24 HA GLN 24 8.935 -0.515 -4.581 161 1HB GLN 24 HB2 GLN 24 7.737 -2.619 -3.906 162 2HB GLN 24 HB1 GLN 24 7.126 -1.767 -2.488 163 1HG GLN 24 HG2 GLN 24 5.578 -1.836 -4.541 164 2HG GLN 24 HG1 GLN 24 5.855 -0.254 -3.812 165 1HE2 GLN 24 HE21 GLN 24 6.959 1.336 -5.066 166 2HE2 GLN 24 HE22 GLN 24 7.479 1.068 -6.659 167 H CYS 25 HN CYS 25 7.772 -0.365 -1.186 168 HA CYS 25 HA CYS 25 6.654 2.165 -1.143 169 1HB CYS 25 HB2 CYS 25 8.448 0.785 0.880 170 2HB CYS 25 HB1 CYS 25 7.443 2.184 1.260 171 H LYS 26 HN LYS 26 10.110 1.486 -0.458 172 HA LYS 26 HA LYS 26 11.097 4.082 -0.194 173 1HB LYS 26 HB2 LYS 26 12.316 1.881 0.005 174 2HB LYS 26 HB1 LYS 26 12.369 1.812 -1.757 175 1HG LYS 26 HG2 LYS 26 14.072 3.290 -1.864 176 2HG LYS 26 HG1 LYS 26 13.284 4.388 -0.732 177 1HD LYS 26 HD2 LYS 26 14.541 3.653 0.993 178 2HD LYS 26 HD1 LYS 26 14.218 1.965 0.593 179 1HE LYS 26 HE2 LYS 26 15.916 2.784 -1.456 180 2HE LYS 26 HE1 LYS 26 16.583 3.578 -0.015 181 1HZ LYS 26 HZ1 LYS 26 16.663 1.547 1.142 182 2HZ LYS 26 HZ2 LYS 26 17.308 1.204 -0.392 183 3HZ LYS 26 HZ3 LYS 26 15.716 0.744 -0.014 184 H MET 27 HN MET 27 10.729 2.259 -3.262 185 HA MET 27 HA MET 27 11.649 4.215 -5.061 186 1HB MET 27 HB2 MET 27 9.311 2.303 -5.381 187 2HB MET 27 HB1 MET 27 10.278 2.991 -6.686 188 1HG MET 27 HG2 MET 27 11.917 1.682 -4.644 189 2HG MET 27 HG1 MET 27 10.776 0.578 -5.413 190 1HE MET 27 HE1 MET 27 12.103 -0.466 -8.406 191 2HE MET 27 HE2 MET 27 10.771 0.669 -8.607 192 3HE MET 27 HE3 MET 27 10.821 -0.378 -7.191 193 H LYS 28 HN LYS 28 8.569 4.004 -3.356 194 HA LYS 28 HA LYS 28 7.389 6.229 -4.907 195 1HB LYS 28 HB2 LYS 28 6.517 4.472 -2.599 196 2HB LYS 28 HB1 LYS 28 5.513 5.781 -3.223 197 1HG LYS 28 HG2 LYS 28 6.638 3.861 -5.209 198 2HG LYS 28 HG1 LYS 28 5.327 3.284 -4.179 199 1HD LYS 28 HD2 LYS 28 3.891 4.318 -5.574 200 2HD LYS 28 HD1 LYS 28 4.535 5.853 -4.989 201 1HE LYS 28 HE2 LYS 28 5.886 6.151 -6.851 202 2HE LYS 28 HE1 LYS 28 6.083 4.407 -7.112 203 1HZ LYS 28 HZ1 LYS 28 3.365 4.928 -7.283 204 2HZ LYS 28 HZ2 LYS 28 4.411 4.511 -8.554 205 3HZ LYS 28 HZ3 LYS 28 4.119 6.145 -8.193 206 H LYS 29 HN LYS 29 9.843 6.641 -3.198 207 HA LYS 29 HA LYS 29 10.648 8.402 -1.844 208 1HB LYS 29 HB2 LYS 29 8.865 9.571 -3.277 209 2HB LYS 29 HB1 LYS 29 7.798 9.413 -1.881 210 1HG LYS 29 HG2 LYS 29 9.511 10.583 -0.492 211 2HG LYS 29 HG1 LYS 29 10.469 10.840 -1.952 212 1HD LYS 29 HD2 LYS 29 7.629 11.817 -1.529 213 2HD LYS 29 HD1 LYS 29 9.077 12.820 -1.427 214 1HE LYS 29 HE2 LYS 29 9.611 12.248 -3.798 215 2HE LYS 29 HE1 LYS 29 8.091 11.336 -3.891 216 1HZ LYS 29 HZ1 LYS 29 8.515 14.203 -3.782 217 2HZ LYS 29 HZ2 LYS 29 7.273 13.626 -2.775 218 3HZ LYS 29 HZ3 LYS 29 7.227 13.323 -4.446 219 H ALA 30 HN ALA 30 8.559 6.056 -0.859 220 HA ALA 30 HA ALA 30 7.882 7.100 1.801 221 1HB ALA 30 HB1 ALA 30 6.307 5.550 1.211 222 2HB ALA 30 HB2 ALA 30 7.468 4.396 1.868 223 3HB ALA 30 HB3 ALA 30 7.413 4.702 0.133 224 H SER 31 HN SER 31 8.510 5.405 3.668 225 HA SER 31 HA SER 31 11.384 4.626 3.386 226 1HB SER 31 HB2 SER 31 10.524 5.869 5.938 227 2HB SER 31 HB1 SER 31 12.028 6.071 5.045 228 HG SER 31 HG SER 31 10.857 7.968 4.904 229 H GLY 32 HN GLY 32 8.368 4.417 5.259 230 1HA GLY 32 HA2 GLY 32 9.359 1.944 6.578 231 2HA GLY 32 HA1 GLY 32 7.906 2.835 7.035 232 H GLY 33 HN GLY 33 9.257 0.623 4.632 233 1HA GLY 33 HA2 GLY 33 6.509 0.145 3.586 234 2HA GLY 33 HA1 GLY 33 7.998 -0.341 2.777 235 H HIS 34 HN HIS 34 5.443 -1.505 4.556 236 HA HIS 34 HA HIS 34 6.875 -4.055 5.053 237 1HB HIS 34 HB2 HIS 34 6.159 -4.074 7.406 238 2HB HIS 34 HB1 HIS 34 7.137 -2.644 7.081 239 HD1 HIS 34 HD1 HIS 34 6.111 -0.450 7.686 240 HD2 HIS 34 HD2 HIS 34 3.233 -3.440 7.294 241 HE1 HIS 34 HE1 HIS 34 3.907 0.586 8.377 242 H CYS 35 HN CYS 35 5.457 -5.844 5.039 243 HA CYS 35 HA CYS 35 2.815 -5.366 3.847 244 1HB CYS 35 HB2 CYS 35 4.153 -7.135 2.957 245 2HB CYS 35 HB1 CYS 35 4.502 -7.774 4.565 246 H TYR 36 HN TYR 36 0.853 -5.620 4.899 247 HA TYR 36 HA TYR 36 0.695 -6.972 7.515 248 1HB TYR 36 HB2 TYR 36 1.413 -4.351 7.499 249 2HB TYR 36 HB1 TYR 36 -0.343 -4.188 7.520 250 HD1 TYR 36 HD1 TYR 36 2.614 -5.308 9.369 251 HD2 TYR 36 HD2 TYR 36 -1.678 -5.121 9.379 252 HE1 TYR 36 HE1 TYR 36 2.595 -5.862 11.787 253 HE2 TYR 36 HE2 TYR 36 -1.696 -5.673 11.796 254 HH TYR 36 HH TYR 36 0.768 -7.008 13.391 255 H ALA 37 HN ALA 37 -1.513 -7.455 8.067 256 HA ALA 37 HA ALA 37 -3.735 -8.035 7.503 257 1HB ALA 37 HB1 ALA 37 -4.210 -5.583 5.985 258 2HB ALA 37 HB2 ALA 37 -3.326 -5.271 7.480 259 3HB ALA 37 HB3 ALA 37 -4.890 -6.084 7.533 260 H MET 38 HN MET 38 -1.611 -8.787 5.588 261 HA MET 38 HA MET 38 -1.533 -9.800 3.453 262 1HB MET 38 HB2 MET 38 -3.962 -10.268 4.339 263 2HB MET 38 HB1 MET 38 -4.433 -9.065 3.137 264 1HG MET 38 HG2 MET 38 -3.684 -10.371 1.344 265 2HG MET 38 HG1 MET 38 -2.603 -11.322 2.363 266 1HE MET 38 HE1 MET 38 -3.144 -13.114 1.222 267 2HE MET 38 HE2 MET 38 -4.724 -13.295 0.464 268 3HE MET 38 HE3 MET 38 -4.293 -14.308 1.840 269 H SER 39 HN SER 39 -1.771 -6.640 4.021 270 HA SER 39 HA SER 39 -1.823 -5.930 1.106 271 1HB SER 39 HB2 SER 39 -2.829 -4.330 3.479 272 2HB SER 39 HB1 SER 39 -2.917 -3.837 1.791 273 HG SER 39 HG SER 39 -4.025 -6.057 1.640 274 H CYS 40 HN CYS 40 -0.253 -4.405 0.457 275 HA CYS 40 HA CYS 40 2.140 -4.206 2.109 276 1HB CYS 40 HB2 CYS 40 2.022 -4.428 -0.397 277 2HB CYS 40 HB1 CYS 40 1.375 -2.788 -0.466 278 H TYR 41 HN TYR 41 3.052 -2.195 2.916 279 HA TYR 41 HA TYR 41 1.237 0.169 2.965 280 1HB TYR 41 HB2 TYR 41 0.764 -1.338 4.916 281 2HB TYR 41 HB1 TYR 41 2.440 -1.137 5.427 282 HD1 TYR 41 HD1 TYR 41 3.239 0.974 6.351 283 HD2 TYR 41 HD2 TYR 41 -0.814 0.545 4.992 284 HE1 TYR 41 HE1 TYR 41 2.634 3.098 7.480 285 HE2 TYR 41 HE2 TYR 41 -1.417 2.668 6.122 286 HH TYR 41 HH TYR 41 0.034 4.005 8.421 287 H CYS 42 HN CYS 42 2.445 1.997 2.639 288 HA CYS 42 HA CYS 42 5.386 1.841 3.212 289 1HB CYS 42 HB2 CYS 42 3.935 3.554 1.171 290 2HB CYS 42 HB1 CYS 42 5.673 3.268 1.280 291 H GLU 43 HN GLU 43 6.289 3.552 4.369 292 HA GLU 43 HA GLU 43 4.352 5.543 5.487 293 1HB GLU 43 HB2 GLU 43 5.445 3.895 7.013 294 2HB GLU 43 HB1 GLU 43 7.018 4.532 6.535 295 1HG GLU 43 HG2 GLU 43 6.711 6.525 7.670 296 2HG GLU 43 HG1 GLU 43 4.956 6.460 7.521 297 H GLY 44 HN GLY 44 4.564 7.289 4.070 298 1HA GLY 44 HA2 GLY 44 6.107 9.370 4.139 299 2HA GLY 44 HA1 GLY 44 7.329 8.265 3.512 300 H LEU 45 HN LEU 45 4.016 7.897 2.456 301 HA LEU 45 HA LEU 45 4.808 8.363 -0.320 302 1HB LEU 45 HB2 LEU 45 2.254 7.665 1.150 303 2HB LEU 45 HB1 LEU 45 2.291 7.891 -0.598 304 HG LEU 45 HG LEU 45 4.200 6.009 0.794 305 1HD1 LEU 45 HD11 LEU 45 1.314 5.681 0.192 306 2HD1 LEU 45 HD12 LEU 45 2.322 4.836 1.368 307 3HD1 LEU 45 HD13 LEU 45 2.357 4.358 -0.329 308 1HD2 LEU 45 HD21 LEU 45 4.690 6.735 -1.533 309 2HD2 LEU 45 HD22 LEU 45 3.104 6.150 -2.035 310 3HD2 LEU 45 HD23 LEU 45 4.319 5.013 -1.451 311 HA PRO 46 HA PRO 46 3.564 12.561 -0.630 312 1HB PRO 46 HB2 PRO 46 2.511 12.638 -3.156 313 2HB PRO 46 HB1 PRO 46 4.251 12.496 -2.836 314 1HG PRO 46 HG2 PRO 46 2.294 10.395 -3.606 315 2HG PRO 46 HG1 PRO 46 3.984 10.597 -4.090 316 1HD PRO 46 HD2 PRO 46 3.140 8.808 -2.197 317 2HD PRO 46 HD1 PRO 46 4.776 9.502 -2.246 318 H GLU 47 HN GLU 47 1.739 13.792 -0.126 319 HA GLU 47 HA GLU 47 -0.649 12.617 0.772 320 1HB GLU 47 HB2 GLU 47 0.366 14.972 1.078 321 2HB GLU 47 HB1 GLU 47 -0.459 15.384 -0.426 322 1HG GLU 47 HG2 GLU 47 -2.428 14.078 1.017 323 2HG GLU 47 HG1 GLU 47 -1.568 14.988 2.260 324 H ASN 48 HN ASN 48 0.193 13.723 -2.489 325 HA ASN 48 HA ASN 48 -2.545 13.442 -3.492 326 1HB ASN 48 HB2 ASN 48 -1.344 13.883 -5.672 327 2HB ASN 48 HB1 ASN 48 -1.049 15.098 -4.429 328 1HD2 ASN 48 HD21 ASN 48 1.087 15.696 -5.105 329 2HD2 ASN 48 HD22 ASN 48 2.398 14.620 -5.058 330 H ALA 49 HN ALA 49 -0.454 11.126 -2.500 331 HA ALA 49 HA ALA 49 -0.440 9.313 -4.774 332 1HB ALA 49 HB1 ALA 49 -0.239 8.435 -1.913 333 2HB ALA 49 HB2 ALA 49 1.006 9.503 -2.559 334 3HB ALA 49 HB3 ALA 49 0.722 7.929 -3.302 335 H LYS 50 HN LYS 50 -1.702 7.331 -4.904 336 HA LYS 50 HA LYS 50 -4.456 7.659 -3.828 337 1HB LYS 50 HB2 LYS 50 -3.995 7.306 -6.257 338 2HB LYS 50 HB1 LYS 50 -3.283 5.740 -5.867 339 1HG LYS 50 HG2 LYS 50 -5.410 4.992 -6.249 340 2HG LYS 50 HG1 LYS 50 -5.657 5.507 -4.580 341 1HD LYS 50 HD2 LYS 50 -6.544 7.635 -5.290 342 2HD LYS 50 HD1 LYS 50 -6.103 7.317 -6.968 343 1HE LYS 50 HE2 LYS 50 -7.634 5.192 -6.682 344 2HE LYS 50 HE1 LYS 50 -8.338 6.126 -5.347 345 1HZ LYS 50 HZ1 LYS 50 -9.520 7.020 -7.053 346 2HZ LYS 50 HZ2 LYS 50 -8.317 6.711 -8.212 347 3HZ LYS 50 HZ3 LYS 50 -8.160 8.029 -7.152 348 H VAL 51 HN VAL 51 -4.652 6.729 -1.805 349 HA VAL 51 HA VAL 51 -3.843 3.871 -1.541 350 HB VAL 51 HB VAL 51 -2.883 4.443 0.697 351 1HG1 VAL 51 HG11 VAL 51 -1.555 6.168 -1.390 352 2HG1 VAL 51 HG12 VAL 51 -1.575 4.413 -1.548 353 3HG1 VAL 51 HG13 VAL 51 -0.805 5.162 -0.150 354 1HG2 VAL 51 HG21 VAL 51 -3.571 6.432 1.538 355 2HG2 VAL 51 HG22 VAL 51 -4.023 7.039 -0.054 356 3HG2 VAL 51 HG23 VAL 51 -2.350 7.159 0.492 357 H SER 52 HN SER 52 -4.885 2.875 0.399 358 HA SER 52 HA SER 52 -7.641 3.908 0.743 359 1HB SER 52 HB2 SER 52 -6.850 1.485 0.213 360 2HB SER 52 HB1 SER 52 -6.439 1.403 1.923 361 HG SER 52 HG SER 52 -8.966 1.911 0.739 362 H ASP 53 HN ASP 53 -8.094 5.183 2.506 363 HA ASP 53 HA ASP 53 -6.161 5.384 4.724 364 1HB ASP 53 HB2 ASP 53 -7.703 7.205 5.421 365 2HB ASP 53 HB1 ASP 53 -7.240 7.361 3.727 366 H SER 54 HN SER 54 -7.689 2.839 4.383 367 HA SER 54 HA SER 54 -8.651 2.614 7.158 368 1HB SER 54 HB2 SER 54 -10.900 2.254 6.633 369 2HB SER 54 HB1 SER 54 -10.469 3.483 5.447 370 HG SER 54 HG SER 54 -10.113 1.807 3.950 371 H ALA 55 HN ALA 55 -8.826 0.368 7.800 372 HA ALA 55 HA ALA 55 -7.058 -1.426 6.356 373 1HB ALA 55 HB1 ALA 55 -8.912 -2.409 8.467 374 2HB ALA 55 HB2 ALA 55 -7.829 -1.093 8.921 375 3HB ALA 55 HB3 ALA 55 -7.167 -2.615 8.323 376 H THR 56 HN THR 56 -10.260 -0.586 5.825 377 HA THR 56 HA THR 56 -11.237 -3.261 5.059 378 HB THR 56 HB THR 56 -12.295 -0.425 4.915 379 HG1 THR 56 HG1 THR 56 -12.962 -0.961 6.813 380 1HG2 THR 56 HG21 THR 56 -14.491 -1.635 4.336 381 2HG2 THR 56 HG22 THR 56 -13.476 -3.004 3.881 382 3HG2 THR 56 HG23 THR 56 -13.309 -1.464 3.038 383 H ASN 57 HN ASN 57 -11.370 -4.010 2.926 384 HA ASN 57 HA ASN 57 -9.721 -2.605 0.924 385 1HB ASN 57 HB2 ASN 57 -9.892 -4.702 -0.255 386 2HB ASN 57 HB1 ASN 57 -9.705 -5.092 1.454 387 1HD2 ASN 57 HD21 ASN 57 -11.106 -6.742 2.046 388 2HD2 ASN 57 HD22 ASN 57 -12.681 -6.952 1.452 389 H ILE 58 HN ILE 58 -10.537 -1.973 -1.160 390 HA ILE 58 HA ILE 58 -13.520 -1.771 -1.376 391 HB ILE 58 HB ILE 58 -12.332 0.329 -0.590 392 1HG1 ILE 58 HG12 ILE 58 -13.795 0.279 -3.243 393 2HG1 ILE 58 HG11 ILE 58 -14.470 0.599 -1.645 394 1HG2 ILE 58 HG21 ILE 58 -10.396 -0.327 -2.318 395 2HG2 ILE 58 HG22 ILE 58 -10.707 1.351 -1.875 396 3HG2 ILE 58 HG23 ILE 58 -11.347 0.704 -3.386 397 1HD1 ILE 58 HD11 ILE 58 -14.241 2.777 -2.342 398 2HD1 ILE 58 HD12 ILE 58 -12.915 2.395 -3.441 399 3HD1 ILE 58 HD13 ILE 58 -12.611 2.543 -1.710 400 H CYS 59 HN CYS 59 -12.225 -3.827 -2.627 401 HA CYS 59 HA CYS 59 -11.460 -3.026 -5.367 402 1HB CYS 59 HB2 CYS 59 -10.482 -4.872 -3.783 403 2HB CYS 59 HB1 CYS 59 -11.851 -5.834 -4.342 404 H GLY 60 HN GLY 60 -14.184 -2.391 -4.690 405 1HA GLY 60 HA2 GLY 60 -15.550 -3.741 -6.866 406 2HA GLY 60 HA1 GLY 60 -16.169 -4.239 -5.291 Start of MODEL 18 1 1H LYS 1 HT1 LYS 1 -4.921 10.588 -5.111 2 2H LYS 1 HT2 LYS 1 -3.840 11.461 -4.133 3 3H LYS 1 HT3 LYS 1 -4.435 9.957 -3.614 4 HA LYS 1 HA LYS 1 -3.024 9.972 -6.168 5 1HB LYS 1 HB2 LYS 1 -0.868 10.213 -5.107 6 2HB LYS 1 HB1 LYS 1 -1.851 11.584 -4.596 7 1HG LYS 1 HG2 LYS 1 -2.180 10.707 -2.438 8 2HG LYS 1 HG1 LYS 1 -1.771 9.067 -2.938 9 1HD LYS 1 HD2 LYS 1 0.543 10.362 -3.553 10 2HD LYS 1 HD1 LYS 1 0.010 11.294 -2.155 11 1HE LYS 1 HE2 LYS 1 -0.457 8.665 -1.369 12 2HE LYS 1 HE1 LYS 1 1.083 8.575 -2.248 13 1HZ LYS 1 HZ1 LYS 1 2.077 10.087 -0.867 14 2HZ LYS 1 HZ2 LYS 1 1.037 9.331 0.245 15 3HZ LYS 1 HZ3 LYS 1 0.619 10.833 -0.434 16 H ASP 2 HN ASP 2 -2.105 7.876 -6.484 17 HA ASP 2 HA ASP 2 -3.102 5.790 -4.586 18 1HB ASP 2 HB2 ASP 2 -1.994 5.363 -7.365 19 2HB ASP 2 HB1 ASP 2 -3.164 4.377 -6.489 20 H GLY 3 HN GLY 3 -1.586 4.388 -3.596 21 1HA GLY 3 HA2 GLY 3 1.151 4.203 -4.561 22 2HA GLY 3 HA1 GLY 3 1.031 5.215 -3.124 23 H TYR 4 HN TYR 4 2.518 3.271 -2.483 24 HA TYR 4 HA TYR 4 0.905 0.934 -1.560 25 1HB TYR 4 HB2 TYR 4 3.881 1.481 -1.796 26 2HB TYR 4 HB1 TYR 4 3.195 -0.036 -1.218 27 HD1 TYR 4 HD1 TYR 4 1.924 -1.511 -2.738 28 HD2 TYR 4 HD2 TYR 4 3.802 2.095 -4.133 29 HE1 TYR 4 HE1 TYR 4 1.688 -2.294 -5.080 30 HE2 TYR 4 HE2 TYR 4 3.562 1.312 -6.475 31 HH TYR 4 HH TYR 4 3.031 -1.759 -7.337 32 HA PRO 5 HA PRO 5 1.135 2.912 2.442 33 1HB PRO 5 HB2 PRO 5 -0.257 0.989 3.792 34 2HB PRO 5 HB1 PRO 5 -1.046 2.226 2.791 35 1HG PRO 5 HG2 PRO 5 -0.451 -0.621 2.158 36 2HG PRO 5 HG1 PRO 5 -1.868 0.356 1.741 37 1HD PRO 5 HD2 PRO 5 0.146 -0.207 -0.014 38 2HD PRO 5 HD1 PRO 5 -0.866 1.252 -0.115 39 H VAL 6 HN VAL 6 2.665 2.645 4.049 40 HA VAL 6 HA VAL 6 4.185 0.065 4.053 41 HB VAL 6 HB VAL 6 6.040 1.439 4.892 42 1HG1 VAL 6 HG11 VAL 6 4.719 1.776 2.365 43 2HG1 VAL 6 HG12 VAL 6 6.445 1.828 2.724 44 3HG1 VAL 6 HG13 VAL 6 5.477 3.299 2.832 45 1HG2 VAL 6 HG21 VAL 6 5.168 3.121 6.237 46 2HG2 VAL 6 HG22 VAL 6 3.856 3.483 5.119 47 3HG2 VAL 6 HG23 VAL 6 5.492 4.030 4.761 48 H ASP 7 HN ASP 7 5.267 -0.305 6.279 49 HA ASP 7 HA ASP 7 3.152 -0.022 8.383 50 1HB ASP 7 HB2 ASP 7 4.195 -2.045 9.310 51 2HB ASP 7 HB1 ASP 7 3.834 -2.295 7.602 52 H SER 8 HN SER 8 4.346 -0.169 10.687 53 HA SER 8 HA SER 8 5.660 2.242 11.218 54 1HB SER 8 HB2 SER 8 6.358 1.077 13.308 55 2HB SER 8 HB1 SER 8 4.680 0.736 12.895 56 HG SER 8 HG SER 8 5.304 -1.270 12.990 57 H LYS 9 HN LYS 9 6.951 -0.677 9.822 58 HA LYS 9 HA LYS 9 9.761 -0.049 10.370 59 1HB LYS 9 HB2 LYS 9 9.020 -2.346 10.174 60 2HB LYS 9 HB1 LYS 9 8.302 -2.028 8.594 61 1HG LYS 9 HG2 LYS 9 10.530 -1.534 7.668 62 2HG LYS 9 HG1 LYS 9 11.257 -1.834 9.247 63 1HD LYS 9 HD2 LYS 9 9.517 -4.013 8.300 64 2HD LYS 9 HD1 LYS 9 10.938 -3.738 7.291 65 1HE LYS 9 HE2 LYS 9 12.352 -3.804 9.382 66 2HE LYS 9 HE1 LYS 9 10.902 -4.303 10.276 67 1HZ LYS 9 HZ1 LYS 9 12.550 -5.974 8.892 68 2HZ LYS 9 HZ2 LYS 9 11.256 -5.741 7.816 69 3HZ LYS 9 HZ3 LYS 9 10.967 -6.333 9.382 70 H GLY 10 HN GLY 10 7.437 0.603 7.822 71 1HA GLY 10 HA2 GLY 10 7.791 2.420 6.244 72 2HA GLY 10 HA1 GLY 10 9.531 2.175 6.405 73 H CYS 11 HN CYS 11 8.080 -0.823 6.239 74 HA CYS 11 HA CYS 11 8.850 -1.093 3.375 75 1HB CYS 11 HB2 CYS 11 8.370 -2.992 5.685 76 2HB CYS 11 HB1 CYS 11 8.655 -3.559 4.039 77 H LYS 12 HN LYS 12 7.361 -1.851 1.833 78 HA LYS 12 HA LYS 12 4.626 -1.191 2.062 79 1HB LYS 12 HB2 LYS 12 5.857 -3.365 0.342 80 2HB LYS 12 HB1 LYS 12 4.437 -2.388 -0.034 81 1HG LYS 12 HG2 LYS 12 6.212 -0.408 0.381 82 2HG LYS 12 HG1 LYS 12 7.320 -1.667 -0.168 83 1HD LYS 12 HD2 LYS 12 4.867 -1.494 -1.773 84 2HD LYS 12 HD1 LYS 12 5.844 -0.027 -1.826 85 1HE LYS 12 HE2 LYS 12 7.294 -2.627 -2.097 86 2HE LYS 12 HE1 LYS 12 6.339 -2.069 -3.485 87 1HZ LYS 12 HZ1 LYS 12 7.397 0.135 -3.197 88 2HZ LYS 12 HZ2 LYS 12 8.502 -1.083 -3.622 89 3HZ LYS 12 HZ3 LYS 12 8.414 -0.533 -2.017 90 H LEU 13 HN LEU 13 2.783 -2.400 2.631 91 HA LEU 13 HA LEU 13 3.206 -4.672 4.431 92 1HB LEU 13 HB2 LEU 13 1.505 -3.137 5.027 93 2HB LEU 13 HB1 LEU 13 0.874 -3.068 3.382 94 HG LEU 13 HG LEU 13 0.116 -5.413 3.578 95 1HD1 LEU 13 HD11 LEU 13 0.664 -5.333 6.523 96 2HD1 LEU 13 HD12 LEU 13 1.973 -5.787 5.431 97 3HD1 LEU 13 HD13 LEU 13 0.480 -6.726 5.457 98 1HD2 LEU 13 HD21 LEU 13 -0.881 -3.147 5.067 99 2HD2 LEU 13 HD22 LEU 13 -1.243 -4.638 5.938 100 3HD2 LEU 13 HD23 LEU 13 -1.791 -4.433 4.274 101 H SER 14 HN SER 14 2.971 -6.830 3.895 102 HA SER 14 HA SER 14 2.782 -7.635 1.122 103 1HB SER 14 HB2 SER 14 2.717 -9.054 3.795 104 2HB SER 14 HB1 SER 14 2.662 -9.927 2.266 105 HG SER 14 HG SER 14 4.609 -8.538 1.783 106 H CYS 15 HN CYS 15 0.987 -8.419 0.001 107 HA CYS 15 HA CYS 15 -1.617 -8.444 1.495 108 1HB CYS 15 HB2 CYS 15 -2.572 -7.608 -0.663 109 2HB CYS 15 HB1 CYS 15 -1.379 -6.505 0.024 110 H VAL 16 HN VAL 16 -2.997 -10.172 1.055 111 HA VAL 16 HA VAL 16 -1.996 -12.239 -0.878 112 HB VAL 16 HB VAL 16 -1.661 -12.831 1.502 113 1HG1 VAL 16 HG11 VAL 16 -3.239 -12.490 3.095 114 2HG1 VAL 16 HG12 VAL 16 -4.525 -13.142 2.079 115 3HG1 VAL 16 HG13 VAL 16 -4.026 -11.461 1.900 116 1HG2 VAL 16 HG21 VAL 16 -2.955 -14.356 -0.463 117 2HG2 VAL 16 HG22 VAL 16 -3.892 -14.632 1.005 118 3HG2 VAL 16 HG23 VAL 16 -2.162 -14.972 0.987 119 H ALA 17 HN ALA 17 -4.734 -10.500 0.469 120 HA ALA 17 HA ALA 17 -6.482 -11.703 -1.654 121 1HB ALA 17 HB1 ALA 17 -8.135 -10.878 0.429 122 2HB ALA 17 HB2 ALA 17 -6.726 -11.534 1.263 123 3HB ALA 17 HB3 ALA 17 -7.624 -12.538 0.125 124 H ASN 18 HN ASN 18 -7.937 -10.197 -2.650 125 HA ASN 18 HA ASN 18 -7.040 -7.444 -2.723 126 1HB ASN 18 HB2 ASN 18 -9.293 -9.077 -3.873 127 2HB ASN 18 HB1 ASN 18 -9.277 -7.327 -4.090 128 1HD2 ASN 18 HD21 ASN 18 -8.691 -9.747 -5.990 129 2HD2 ASN 18 HD22 ASN 18 -7.230 -9.303 -6.733 130 H ASN 19 HN ASN 19 -9.475 -9.178 -0.903 131 HA ASN 19 HA ASN 19 -11.047 -6.849 -0.148 132 1HB ASN 19 HB2 ASN 19 -11.929 -8.538 1.546 133 2HB ASN 19 HB1 ASN 19 -12.043 -9.036 -0.139 134 1HD2 ASN 19 HD21 ASN 19 -11.310 -11.116 -0.496 135 2HD2 ASN 19 HD22 ASN 19 -10.131 -11.917 0.425 136 H TYR 20 HN TYR 20 -8.439 -8.727 1.433 137 HA TYR 20 HA TYR 20 -8.421 -7.461 3.955 138 1HB TYR 20 HB2 TYR 20 -7.032 -9.352 3.573 139 2HB TYR 20 HB1 TYR 20 -6.294 -8.623 2.148 140 HD1 TYR 20 HD1 TYR 20 -6.921 -6.813 5.316 141 HD2 TYR 20 HD2 TYR 20 -3.991 -8.783 2.870 142 HE1 TYR 20 HE1 TYR 20 -5.112 -5.875 6.727 143 HE2 TYR 20 HE2 TYR 20 -2.181 -7.845 4.282 144 HH TYR 20 HH TYR 20 -1.856 -6.957 6.501 145 H CYS 21 HN CYS 21 -6.611 -6.517 1.006 146 HA CYS 21 HA CYS 21 -5.519 -4.096 2.115 147 1HB CYS 21 HB2 CYS 21 -5.925 -5.342 -0.581 148 2HB CYS 21 HB1 CYS 21 -5.462 -3.641 -0.514 149 H ASP 22 HN ASP 22 -8.397 -4.757 0.097 150 HA ASP 22 HA ASP 22 -9.337 -2.164 -0.359 151 1HB ASP 22 HB2 ASP 22 -10.381 -4.201 -1.227 152 2HB ASP 22 HB1 ASP 22 -10.838 -4.693 0.405 153 H ASN 23 HN ASN 23 -9.443 -4.071 2.620 154 HA ASN 23 HA ASN 23 -11.185 -2.262 4.075 155 1HB ASN 23 HB2 ASN 23 -10.810 -4.667 4.603 156 2HB ASN 23 HB1 ASN 23 -9.135 -4.298 5.017 157 1HD2 ASN 23 HD21 ASN 23 -10.050 -5.257 7.203 158 2HD2 ASN 23 HD22 ASN 23 -10.707 -4.128 8.288 159 H GLN 24 HN GLN 24 -7.662 -2.915 4.360 160 HA GLN 24 HA GLN 24 -6.976 -0.819 6.101 161 1HB GLN 24 HB2 GLN 24 -5.636 -2.767 4.939 162 2HB GLN 24 HB1 GLN 24 -5.270 -1.537 3.728 163 1HG GLN 24 HG2 GLN 24 -3.534 -1.655 5.513 164 2HG GLN 24 HG1 GLN 24 -4.322 -0.077 5.444 165 1HE2 GLN 24 HE21 GLN 24 -3.996 0.406 7.711 166 2HE2 GLN 24 HE22 GLN 24 -4.800 -0.448 8.938 167 H CYS 25 HN CYS 25 -6.748 -0.700 2.519 168 HA CYS 25 HA CYS 25 -6.119 1.983 2.145 169 1HB CYS 25 HB2 CYS 25 -8.129 0.295 0.618 170 2HB CYS 25 HB1 CYS 25 -7.277 1.701 -0.019 171 H LYS 26 HN LYS 26 -9.464 0.689 2.240 172 HA LYS 26 HA LYS 26 -10.984 2.985 2.138 173 1HB LYS 26 HB2 LYS 26 -11.684 0.565 2.459 174 2HB LYS 26 HB1 LYS 26 -11.353 0.772 4.179 175 1HG LYS 26 HG2 LYS 26 -13.367 1.724 4.471 176 2HG LYS 26 HG1 LYS 26 -12.960 2.974 3.294 177 1HD LYS 26 HD2 LYS 26 -13.807 0.237 2.372 178 2HD LYS 26 HD1 LYS 26 -15.015 1.445 2.815 179 1HE LYS 26 HE2 LYS 26 -12.788 2.184 0.919 180 2HE LYS 26 HE1 LYS 26 -14.231 1.342 0.320 181 1HZ LYS 26 HZ1 LYS 26 -14.955 3.378 2.160 182 2HZ LYS 26 HZ2 LYS 26 -15.432 3.183 0.541 183 3HZ LYS 26 HZ3 LYS 26 -14.013 4.037 0.913 184 H MET 27 HN MET 27 -9.359 1.716 5.061 185 HA MET 27 HA MET 27 -10.233 3.765 6.859 186 1HB MET 27 HB2 MET 27 -7.868 1.881 6.730 187 2HB MET 27 HB1 MET 27 -8.147 2.941 8.113 188 1HG MET 27 HG2 MET 27 -10.636 1.771 7.643 189 2HG MET 27 HG1 MET 27 -9.489 0.455 7.394 190 1HE MET 27 HE1 MET 27 -7.035 1.029 9.698 191 2HE MET 27 HE2 MET 27 -7.788 -0.196 8.680 192 3HE MET 27 HE3 MET 27 -7.849 -0.358 10.433 193 H LYS 28 HN LYS 28 -7.554 3.607 4.558 194 HA LYS 28 HA LYS 28 -6.331 6.087 5.584 195 1HB LYS 28 HB2 LYS 28 -5.796 4.284 3.201 196 2HB LYS 28 HB1 LYS 28 -4.766 5.633 3.681 197 1HG LYS 28 HG2 LYS 28 -5.000 4.302 6.052 198 2HG LYS 28 HG1 LYS 28 -5.061 2.960 4.908 199 1HD LYS 28 HD2 LYS 28 -3.023 4.331 3.821 200 2HD LYS 28 HD1 LYS 28 -2.833 4.849 5.496 201 1HE LYS 28 HE2 LYS 28 -3.323 1.948 5.174 202 2HE LYS 28 HE1 LYS 28 -1.785 2.518 4.499 203 1HZ LYS 28 HZ1 LYS 28 -1.969 3.905 6.809 204 2HZ LYS 28 HZ2 LYS 28 -1.082 2.471 6.613 205 3HZ LYS 28 HZ3 LYS 28 -2.655 2.418 7.251 206 H LYS 29 HN LYS 29 -9.145 5.893 4.259 207 HA LYS 29 HA LYS 29 -10.432 7.407 2.975 208 1HB LYS 29 HB2 LYS 29 -8.523 8.887 4.066 209 2HB LYS 29 HB1 LYS 29 -7.941 8.975 2.403 210 1HG LYS 29 HG2 LYS 29 -10.537 9.488 1.947 211 2HG LYS 29 HG1 LYS 29 -10.431 10.095 3.600 212 1HD LYS 29 HD2 LYS 29 -8.140 10.936 2.021 213 2HD LYS 29 HD1 LYS 29 -9.654 11.456 1.280 214 1HE LYS 29 HE2 LYS 29 -9.825 13.104 2.822 215 2HE LYS 29 HE1 LYS 29 -9.858 11.884 4.111 216 1HZ LYS 29 HZ1 LYS 29 -7.324 11.748 3.543 217 2HZ LYS 29 HZ2 LYS 29 -7.905 12.943 4.601 218 3HZ LYS 29 HZ3 LYS 29 -7.567 13.330 2.981 219 H ALA 30 HN ALA 30 -8.896 5.105 1.777 220 HA ALA 30 HA ALA 30 -8.395 6.145 -0.979 221 1HB ALA 30 HB1 ALA 30 -7.736 3.474 -0.944 222 2HB ALA 30 HB2 ALA 30 -7.447 3.935 0.734 223 3HB ALA 30 HB3 ALA 30 -6.612 4.780 -0.570 224 H SER 31 HN SER 31 -9.381 4.929 -2.789 225 HA SER 31 HA SER 31 -12.016 3.719 -2.017 226 1HB SER 31 HB2 SER 31 -11.060 5.587 -4.135 227 2HB SER 31 HB1 SER 31 -12.349 4.473 -4.579 228 HG SER 31 HG SER 31 -13.409 5.223 -2.604 229 H GLY 32 HN GLY 32 -9.063 3.281 -3.851 230 1HA GLY 32 HA2 GLY 32 -10.139 0.692 -4.895 231 2HA GLY 32 HA1 GLY 32 -8.841 1.601 -5.673 232 H GLY 33 HN GLY 33 -9.638 -0.192 -2.701 233 1HA GLY 33 HA2 GLY 33 -6.739 -0.447 -2.110 234 2HA GLY 33 HA1 GLY 33 -8.051 -0.889 -1.016 235 H HIS 34 HN HIS 34 -5.669 -2.241 -2.774 236 HA HIS 34 HA HIS 34 -6.981 -4.874 -2.787 237 1HB HIS 34 HB2 HIS 34 -6.642 -5.165 -5.221 238 2HB HIS 34 HB1 HIS 34 -7.703 -3.795 -4.896 239 HD1 HIS 34 HD1 HIS 34 -6.684 -1.391 -5.189 240 HD2 HIS 34 HD2 HIS 34 -4.163 -4.485 -6.394 241 HE1 HIS 34 HE1 HIS 34 -4.824 -0.318 -6.532 242 H CYS 35 HN CYS 35 -5.248 -6.424 -4.045 243 HA CYS 35 HA CYS 35 -2.633 -5.861 -2.721 244 1HB CYS 35 HB2 CYS 35 -3.714 -7.946 -2.131 245 2HB CYS 35 HB1 CYS 35 -3.986 -8.342 -3.827 246 H TYR 36 HN TYR 36 -0.963 -5.198 -4.019 247 HA TYR 36 HA TYR 36 -1.100 -5.877 -6.939 248 1HB TYR 36 HB2 TYR 36 -1.601 -3.489 -6.194 249 2HB TYR 36 HB1 TYR 36 0.085 -3.392 -5.682 250 HD1 TYR 36 HD1 TYR 36 -2.207 -3.529 -8.532 251 HD2 TYR 36 HD2 TYR 36 1.916 -3.558 -7.331 252 HE1 TYR 36 HE1 TYR 36 -1.523 -3.047 -10.868 253 HE2 TYR 36 HE2 TYR 36 2.601 -3.077 -9.666 254 HH TYR 36 HH TYR 36 1.590 -2.034 -11.700 255 H ALA 37 HN ALA 37 0.669 -6.974 -7.671 256 HA ALA 37 HA ALA 37 2.793 -8.015 -7.645 257 1HB ALA 37 HB1 ALA 37 4.300 -5.914 -6.489 258 2HB ALA 37 HB2 ALA 37 2.939 -5.151 -7.312 259 3HB ALA 37 HB3 ALA 37 4.028 -6.211 -8.206 260 H MET 38 HN MET 38 1.282 -8.749 -5.378 261 HA MET 38 HA MET 38 1.645 -9.807 -3.290 262 1HB MET 38 HB2 MET 38 4.153 -9.623 -4.679 263 2HB MET 38 HB1 MET 38 4.441 -9.358 -2.960 264 1HG MET 38 HG2 MET 38 3.849 -11.491 -2.396 265 2HG MET 38 HG1 MET 38 2.580 -11.569 -3.619 266 1HE MET 38 HE1 MET 38 3.453 -11.154 -6.272 267 2HE MET 38 HE2 MET 38 2.726 -12.680 -5.773 268 3HE MET 38 HE3 MET 38 4.159 -12.688 -6.799 269 H SER 39 HN SER 39 1.864 -6.601 -3.856 270 HA SER 39 HA SER 39 2.456 -5.962 -0.983 271 1HB SER 39 HB2 SER 39 3.033 -4.432 -3.538 272 2HB SER 39 HB1 SER 39 3.262 -3.764 -1.926 273 HG SER 39 HG SER 39 4.383 -6.249 -2.291 274 H CYS 40 HN CYS 40 0.915 -4.675 0.049 275 HA CYS 40 HA CYS 40 -1.724 -4.456 -1.037 276 1HB CYS 40 HB2 CYS 40 -0.737 -4.402 1.401 277 2HB CYS 40 HB1 CYS 40 -0.636 -2.664 1.122 278 H TYR 41 HN TYR 41 -2.738 -2.747 -2.109 279 HA TYR 41 HA TYR 41 -1.198 -0.220 -2.507 280 1HB TYR 41 HB2 TYR 41 -0.900 -2.060 -4.318 281 2HB TYR 41 HB1 TYR 41 -2.559 -1.672 -4.778 282 HD1 TYR 41 HD1 TYR 41 -2.581 -0.331 -6.688 283 HD2 TYR 41 HD2 TYR 41 0.350 0.406 -3.637 284 HE1 TYR 41 HE1 TYR 41 -1.764 1.645 -7.948 285 HE2 TYR 41 HE2 TYR 41 1.170 2.375 -4.899 286 HH TYR 41 HH TYR 41 -0.131 4.025 -6.770 287 H CYS 42 HN CYS 42 -2.541 1.566 -2.460 288 HA CYS 42 HA CYS 42 -5.499 1.068 -2.605 289 1HB CYS 42 HB2 CYS 42 -4.057 3.184 -0.988 290 2HB CYS 42 HB1 CYS 42 -5.738 2.677 -0.833 291 H GLU 43 HN GLU 43 -6.683 2.531 -3.856 292 HA GLU 43 HA GLU 43 -5.091 4.557 -5.392 293 1HB GLU 43 HB2 GLU 43 -6.056 2.595 -6.605 294 2HB GLU 43 HB1 GLU 43 -7.663 3.094 -6.078 295 1HG GLU 43 HG2 GLU 43 -7.778 4.763 -7.612 296 2HG GLU 43 HG1 GLU 43 -6.104 5.243 -7.346 297 H GLY 44 HN GLY 44 -5.500 6.574 -4.513 298 1HA GLY 44 HA2 GLY 44 -7.331 8.336 -4.630 299 2HA GLY 44 HA1 GLY 44 -8.330 7.182 -3.745 300 H LEU 45 HN LEU 45 -5.087 7.070 -2.752 301 HA LEU 45 HA LEU 45 -5.688 7.995 -0.093 302 1HB LEU 45 HB2 LEU 45 -3.119 7.476 -1.619 303 2HB LEU 45 HB1 LEU 45 -3.179 7.779 0.117 304 HG LEU 45 HG LEU 45 -4.749 5.575 -1.241 305 1HD1 LEU 45 HD11 LEU 45 -2.596 4.779 -1.557 306 2HD1 LEU 45 HD12 LEU 45 -2.891 4.212 0.086 307 3HD1 LEU 45 HD13 LEU 45 -1.948 5.678 -0.185 308 1HD2 LEU 45 HD21 LEU 45 -4.352 6.561 1.546 309 2HD2 LEU 45 HD22 LEU 45 -4.437 4.814 1.320 310 3HD2 LEU 45 HD23 LEU 45 -5.778 5.837 0.803 311 HA PRO 46 HA PRO 46 -4.909 12.302 -0.381 312 1HB PRO 46 HB2 PRO 46 -3.520 12.789 1.932 313 2HB PRO 46 HB1 PRO 46 -5.261 12.441 1.899 314 1HG PRO 46 HG2 PRO 46 -2.983 10.638 2.551 315 2HG PRO 46 HG1 PRO 46 -4.587 10.747 3.294 316 1HD PRO 46 HD2 PRO 46 -3.898 8.814 1.504 317 2HD PRO 46 HD1 PRO 46 -5.559 9.410 1.702 318 H GLU 47 HN GLU 47 -3.326 13.709 -1.183 319 HA GLU 47 HA GLU 47 -1.053 12.783 -2.480 320 1HB GLU 47 HB2 GLU 47 -1.955 14.956 -2.904 321 2HB GLU 47 HB1 GLU 47 -1.732 15.449 -1.225 322 1HG GLU 47 HG2 GLU 47 0.749 15.153 -1.546 323 2HG GLU 47 HG1 GLU 47 0.438 14.887 -3.262 324 H ASN 48 HN ASN 48 -1.394 13.407 0.953 325 HA ASN 48 HA ASN 48 1.567 13.077 1.284 326 1HB ASN 48 HB2 ASN 48 1.365 14.422 3.206 327 2HB ASN 48 HB1 ASN 48 0.187 15.138 2.107 328 1HD2 ASN 48 HD21 ASN 48 -2.142 14.326 2.399 329 2HD2 ASN 48 HD22 ASN 48 -2.645 13.915 3.967 330 H ALA 49 HN ALA 49 -0.598 10.944 0.940 331 HA ALA 49 HA ALA 49 -1.150 9.602 3.375 332 1HB ALA 49 HB1 ALA 49 -1.406 9.230 0.581 333 2HB ALA 49 HB2 ALA 49 -2.154 8.267 1.855 334 3HB ALA 49 HB3 ALA 49 -0.590 7.791 1.192 335 H LYS 50 HN LYS 50 -0.073 7.629 4.222 336 HA LYS 50 HA LYS 50 2.862 7.938 4.267 337 1HB LYS 50 HB2 LYS 50 1.611 7.621 6.335 338 2HB LYS 50 HB1 LYS 50 0.888 6.138 5.708 339 1HG LYS 50 HG2 LYS 50 2.628 4.993 6.556 340 2HG LYS 50 HG1 LYS 50 3.678 5.826 5.410 341 1HD LYS 50 HD2 LYS 50 3.319 7.746 7.345 342 2HD LYS 50 HD1 LYS 50 3.342 6.263 8.301 343 1HE LYS 50 HE2 LYS 50 5.413 6.123 6.296 344 2HE LYS 50 HE1 LYS 50 5.584 7.623 7.230 345 1HZ LYS 50 HZ1 LYS 50 5.419 4.846 8.242 346 2HZ LYS 50 HZ2 LYS 50 5.109 6.183 9.244 347 3HZ LYS 50 HZ3 LYS 50 6.637 5.993 8.524 348 H VAL 51 HN VAL 51 2.966 7.229 1.891 349 HA VAL 51 HA VAL 51 3.175 4.242 1.764 350 HB VAL 51 HB VAL 51 2.243 4.421 -0.534 351 1HG1 VAL 51 HG11 VAL 51 0.868 4.785 1.925 352 2HG1 VAL 51 HG12 VAL 51 0.234 4.105 0.426 353 3HG1 VAL 51 HG13 VAL 51 0.088 5.833 0.741 354 1HG2 VAL 51 HG21 VAL 51 1.483 7.265 0.083 355 2HG2 VAL 51 HG22 VAL 51 1.583 6.456 -1.481 356 3HG2 VAL 51 HG23 VAL 51 3.058 6.916 -0.630 357 H SER 52 HN SER 52 4.582 3.618 -0.205 358 HA SER 52 HA SER 52 7.032 5.256 -0.163 359 1HB SER 52 HB2 SER 52 6.971 2.756 0.003 360 2HB SER 52 HB1 SER 52 6.327 2.695 -1.636 361 HG SER 52 HG SER 52 8.675 2.477 -1.406 362 H ASP 53 HN ASP 53 8.053 5.985 -2.190 363 HA ASP 53 HA ASP 53 6.025 6.598 -4.314 364 1HB ASP 53 HB2 ASP 53 7.447 8.617 -4.682 365 2HB ASP 53 HB1 ASP 53 6.829 8.532 -3.032 366 H SER 54 HN SER 54 8.257 4.373 -3.868 367 HA SER 54 HA SER 54 9.474 4.685 -6.596 368 1HB SER 54 HB2 SER 54 11.346 3.323 -5.585 369 2HB SER 54 HB1 SER 54 11.132 4.906 -4.843 370 HG SER 54 HG SER 54 9.975 3.900 -3.178 371 H ALA 55 HN ALA 55 8.480 3.244 -7.951 372 HA ALA 55 HA ALA 55 7.112 0.861 -6.947 373 1HB ALA 55 HB1 ALA 55 5.995 1.487 -8.817 374 2HB ALA 55 HB2 ALA 55 7.303 0.731 -9.728 375 3HB ALA 55 HB3 ALA 55 7.352 2.460 -9.383 376 H THR 56 HN THR 56 10.323 1.431 -7.276 377 HA THR 56 HA THR 56 10.875 -1.441 -7.890 378 HB THR 56 HB THR 56 11.186 -0.105 -9.942 379 HG1 THR 56 HG1 THR 56 12.982 -1.124 -10.352 380 1HG2 THR 56 HG21 THR 56 13.498 1.401 -8.977 381 2HG2 THR 56 HG22 THR 56 11.998 1.882 -8.184 382 3HG2 THR 56 HG23 THR 56 12.127 1.947 -9.942 383 H ASN 57 HN ASN 57 10.942 -0.982 -5.345 384 HA ASN 57 HA ASN 57 13.821 -0.624 -4.658 385 1HB ASN 57 HB2 ASN 57 13.201 0.922 -2.854 386 2HB ASN 57 HB1 ASN 57 12.608 1.543 -4.395 387 1HD2 ASN 57 HD21 ASN 57 11.628 1.272 -1.279 388 2HD2 ASN 57 HD22 ASN 57 9.959 1.057 -1.500 389 H ILE 58 HN ILE 58 14.305 -1.546 -2.483 390 HA ILE 58 HA ILE 58 12.189 -3.282 -1.322 391 HB ILE 58 HB ILE 58 13.603 -4.364 -3.235 392 1HG1 ILE 58 HG12 ILE 58 13.637 -5.857 -0.612 393 2HG1 ILE 58 HG11 ILE 58 12.119 -5.468 -1.422 394 1HG2 ILE 58 HG21 ILE 58 15.798 -3.595 -2.432 395 2HG2 ILE 58 HG22 ILE 58 15.726 -5.357 -2.428 396 3HG2 ILE 58 HG23 ILE 58 15.559 -4.465 -0.916 397 1HD1 ILE 58 HD11 ILE 58 14.035 -7.549 -2.048 398 2HD1 ILE 58 HD12 ILE 58 13.790 -6.491 -3.438 399 3HD1 ILE 58 HD13 ILE 58 12.412 -7.302 -2.693 400 H CYS 59 HN CYS 59 12.383 -3.345 0.894 401 HA CYS 59 HA CYS 59 14.824 -2.118 2.106 402 1HB CYS 59 HB2 CYS 59 13.286 -1.823 4.052 403 2HB CYS 59 HB1 CYS 59 12.649 -1.087 2.581 404 H GLY 60 HN GLY 60 15.949 -3.237 3.765 405 1HA GLY 60 HA2 GLY 60 15.927 -6.113 3.626 406 2HA GLY 60 HA1 GLY 60 16.830 -5.155 4.800 Start of MODEL 19 1 1H LYS 1 HT1 LYS 1 -3.440 11.116 -4.640 2 2H LYS 1 HT2 LYS 1 -2.378 12.147 -3.806 3 3H LYS 1 HT3 LYS 1 -2.911 10.706 -3.082 4 HA LYS 1 HA LYS 1 -1.384 10.646 -5.617 5 1HB LYS 1 HB2 LYS 1 0.645 10.651 -4.317 6 2HB LYS 1 HB1 LYS 1 -0.296 12.049 -3.796 7 1HG LYS 1 HG2 LYS 1 -1.128 10.821 -1.859 8 2HG LYS 1 HG1 LYS 1 -0.304 9.358 -2.400 9 1HD LYS 1 HD2 LYS 1 1.780 11.092 -2.392 10 2HD LYS 1 HD1 LYS 1 0.803 11.777 -1.092 11 1HE LYS 1 HE2 LYS 1 0.706 9.029 -0.602 12 2HE LYS 1 HE1 LYS 1 2.386 9.322 -1.095 13 1HZ LYS 1 HZ1 LYS 1 2.732 10.796 0.592 14 2HZ LYS 1 HZ2 LYS 1 1.599 9.789 1.357 15 3HZ LYS 1 HZ3 LYS 1 1.105 11.267 0.682 16 H ASP 2 HN ASP 2 -0.649 8.500 -6.019 17 HA ASP 2 HA ASP 2 -1.991 6.402 -4.365 18 1HB ASP 2 HB2 ASP 2 -0.698 6.110 -7.084 19 2HB ASP 2 HB1 ASP 2 -1.959 5.107 -6.366 20 H GLY 3 HN GLY 3 -0.695 4.316 -4.158 21 1HA GLY 3 HA2 GLY 3 2.018 3.963 -4.584 22 2HA GLY 3 HA1 GLY 3 1.953 4.926 -3.109 23 H TYR 4 HN TYR 4 3.000 2.873 -2.275 24 HA TYR 4 HA TYR 4 0.941 0.800 -1.587 25 1HB TYR 4 HB2 TYR 4 3.978 0.655 -1.613 26 2HB TYR 4 HB1 TYR 4 2.881 -0.693 -1.327 27 HD1 TYR 4 HD1 TYR 4 2.069 -1.971 -3.129 28 HD2 TYR 4 HD2 TYR 4 3.763 1.907 -3.863 29 HE1 TYR 4 HE1 TYR 4 1.948 -2.378 -5.572 30 HE2 TYR 4 HE2 TYR 4 3.641 1.500 -6.305 31 HH TYR 4 HH TYR 4 3.501 -1.178 -7.715 32 HA PRO 5 HA PRO 5 1.415 2.589 2.464 33 1HB PRO 5 HB2 PRO 5 -0.139 0.783 3.797 34 2HB PRO 5 HB1 PRO 5 -0.816 2.109 2.829 35 1HG PRO 5 HG2 PRO 5 -0.480 -0.767 2.118 36 2HG PRO 5 HG1 PRO 5 -1.823 0.333 1.767 37 1HD PRO 5 HD2 PRO 5 0.060 -0.323 -0.076 38 2HD PRO 5 HD1 PRO 5 -0.772 1.249 -0.063 39 H VAL 6 HN VAL 6 2.947 2.173 4.014 40 HA VAL 6 HA VAL 6 4.308 -0.484 3.923 41 HB VAL 6 HB VAL 6 6.132 0.783 5.037 42 1HG1 VAL 6 HG11 VAL 6 5.517 2.675 2.896 43 2HG1 VAL 6 HG12 VAL 6 5.243 1.002 2.412 44 3HG1 VAL 6 HG13 VAL 6 6.826 1.499 3.010 45 1HG2 VAL 6 HG21 VAL 6 4.114 2.440 5.894 46 2HG2 VAL 6 HG22 VAL 6 4.823 3.390 4.589 47 3HG2 VAL 6 HG23 VAL 6 5.828 2.854 5.936 48 H ASP 7 HN ASP 7 5.265 -1.092 6.170 49 HA ASP 7 HA ASP 7 3.003 -1.141 8.094 50 1HB ASP 7 HB2 ASP 7 4.227 -3.011 9.045 51 2HB ASP 7 HB1 ASP 7 4.236 -3.193 7.291 52 H SER 8 HN SER 8 4.081 -1.286 10.514 53 HA SER 8 HA SER 8 4.782 1.347 11.260 54 1HB SER 8 HB2 SER 8 4.887 0.415 13.392 55 2HB SER 8 HB1 SER 8 3.982 -0.830 12.538 56 HG SER 8 HG SER 8 5.745 -1.694 13.720 57 H LYS 9 HN LYS 9 6.791 -1.097 9.846 58 HA LYS 9 HA LYS 9 9.275 0.217 10.847 59 1HB LYS 9 HB2 LYS 9 8.660 -2.361 10.703 60 2HB LYS 9 HB1 LYS 9 9.214 -2.170 9.037 61 1HG LYS 9 HG2 LYS 9 11.378 -1.457 9.727 62 2HG LYS 9 HG1 LYS 9 10.848 -1.206 11.390 63 1HD LYS 9 HD2 LYS 9 10.614 -3.564 11.763 64 2HD LYS 9 HD1 LYS 9 10.808 -3.916 10.045 65 1HE LYS 9 HE2 LYS 9 13.136 -2.719 10.338 66 2HE LYS 9 HE1 LYS 9 12.899 -3.113 12.053 67 1HZ LYS 9 HZ1 LYS 9 12.794 -4.999 9.760 68 2HZ LYS 9 HZ2 LYS 9 12.344 -5.406 11.346 69 3HZ LYS 9 HZ3 LYS 9 13.950 -4.974 11.000 70 H GLY 10 HN GLY 10 7.376 -0.247 7.909 71 1HA GLY 10 HA2 GLY 10 7.719 1.631 6.239 72 2HA GLY 10 HA1 GLY 10 9.445 1.333 6.434 73 H CYS 11 HN CYS 11 8.150 -1.656 6.636 74 HA CYS 11 HA CYS 11 8.949 -2.355 3.908 75 1HB CYS 11 HB2 CYS 11 7.686 -3.938 6.171 76 2HB CYS 11 HB1 CYS 11 8.422 -4.638 4.728 77 H LYS 12 HN LYS 12 7.587 -2.771 2.188 78 HA LYS 12 HA LYS 12 4.987 -1.742 1.999 79 1HB LYS 12 HB2 LYS 12 6.368 -4.036 0.578 80 2HB LYS 12 HB1 LYS 12 4.847 -3.332 0.029 81 1HG LYS 12 HG2 LYS 12 6.127 -1.064 0.155 82 2HG LYS 12 HG1 LYS 12 7.576 -2.069 0.136 83 1HD LYS 12 HD2 LYS 12 5.748 -3.018 -1.871 84 2HD LYS 12 HD1 LYS 12 5.994 -1.283 -2.083 85 1HE LYS 12 HE2 LYS 12 8.543 -1.916 -1.710 86 2HE LYS 12 HE1 LYS 12 7.994 -3.511 -2.264 87 1HZ LYS 12 HZ1 LYS 12 8.648 -1.886 -4.067 88 2HZ LYS 12 HZ2 LYS 12 7.258 -1.000 -3.657 89 3HZ LYS 12 HZ3 LYS 12 7.116 -2.595 -4.227 90 H LEU 13 HN LEU 13 2.900 -2.688 2.169 91 HA LEU 13 HA LEU 13 2.707 -4.938 4.080 92 1HB LEU 13 HB2 LEU 13 1.290 -3.142 4.610 93 2HB LEU 13 HB1 LEU 13 0.906 -2.823 2.919 94 HG LEU 13 HG LEU 13 -0.346 -4.992 2.848 95 1HD1 LEU 13 HD11 LEU 13 0.776 -6.168 4.656 96 2HD1 LEU 13 HD12 LEU 13 -0.932 -6.005 5.063 97 3HD1 LEU 13 HD13 LEU 13 0.258 -4.946 5.818 98 1HD2 LEU 13 HD21 LEU 13 -1.126 -2.537 3.894 99 2HD2 LEU 13 HD22 LEU 13 -1.681 -3.692 5.106 100 3HD2 LEU 13 HD23 LEU 13 -2.212 -3.848 3.432 101 H SER 14 HN SER 14 2.986 -6.899 3.008 102 HA SER 14 HA SER 14 2.129 -7.403 0.298 103 1HB SER 14 HB2 SER 14 2.621 -9.435 2.481 104 2HB SER 14 HB1 SER 14 2.932 -9.603 0.756 105 HG SER 14 HG SER 14 4.800 -9.119 2.117 106 H CYS 15 HN CYS 15 0.240 -8.410 -0.439 107 HA CYS 15 HA CYS 15 -1.811 -9.170 1.606 108 1HB CYS 15 HB2 CYS 15 -3.447 -7.982 0.029 109 2HB CYS 15 HB1 CYS 15 -2.356 -6.934 0.936 110 H VAL 16 HN VAL 16 -3.584 -10.503 0.584 111 HA VAL 16 HA VAL 16 -2.631 -11.989 -1.842 112 HB VAL 16 HB VAL 16 -2.218 -13.090 0.419 113 1HG1 VAL 16 HG11 VAL 16 -5.050 -13.908 0.569 114 2HG1 VAL 16 HG12 VAL 16 -4.756 -12.218 0.980 115 3HG1 VAL 16 HG13 VAL 16 -3.926 -13.498 1.865 116 1HG2 VAL 16 HG21 VAL 16 -4.196 -14.787 -1.039 117 2HG2 VAL 16 HG22 VAL 16 -2.558 -15.174 -0.512 118 3HG2 VAL 16 HG23 VAL 16 -2.811 -14.192 -1.956 119 H ALA 17 HN ALA 17 -4.841 -9.885 -1.035 120 HA ALA 17 HA ALA 17 -6.925 -11.060 -2.757 121 1HB ALA 17 HB1 ALA 17 -6.952 -11.326 0.072 122 2HB ALA 17 HB2 ALA 17 -8.238 -11.755 -1.057 123 3HB ALA 17 HB3 ALA 17 -8.192 -10.145 -0.342 124 H ASN 18 HN ASN 18 -8.614 -9.410 -3.257 125 HA ASN 18 HA ASN 18 -7.446 -6.710 -3.358 126 1HB ASN 18 HB2 ASN 18 -9.752 -8.208 -4.553 127 2HB ASN 18 HB1 ASN 18 -9.771 -6.444 -4.605 128 1HD2 ASN 18 HD21 ASN 18 -9.590 -7.273 -7.082 129 2HD2 ASN 18 HD22 ASN 18 -8.003 -7.322 -7.683 130 H ASN 19 HN ASN 19 -10.274 -8.298 -1.858 131 HA ASN 19 HA ASN 19 -11.560 -5.969 -0.867 132 1HB ASN 19 HB2 ASN 19 -12.623 -7.553 0.686 133 2HB ASN 19 HB1 ASN 19 -12.485 -8.273 -0.916 134 1HD2 ASN 19 HD21 ASN 19 -12.654 -9.771 1.609 135 2HD2 ASN 19 HD22 ASN 19 -11.212 -10.655 1.749 136 H TYR 20 HN TYR 20 -9.044 -8.008 0.684 137 HA TYR 20 HA TYR 20 -8.833 -6.788 3.181 138 1HB TYR 20 HB2 TYR 20 -7.453 -8.659 2.559 139 2HB TYR 20 HB1 TYR 20 -6.726 -7.757 1.228 140 HD1 TYR 20 HD1 TYR 20 -4.525 -7.117 1.642 141 HD2 TYR 20 HD2 TYR 20 -7.351 -7.119 4.876 142 HE1 TYR 20 HE1 TYR 20 -2.769 -6.271 3.176 143 HE2 TYR 20 HE2 TYR 20 -5.596 -6.275 6.410 144 HH TYR 20 HH TYR 20 -2.885 -6.444 6.373 145 H CYS 21 HN CYS 21 -7.022 -5.771 0.259 146 HA CYS 21 HA CYS 21 -6.077 -3.302 1.417 147 1HB CYS 21 HB2 CYS 21 -6.322 -4.478 -1.355 148 2HB CYS 21 HB1 CYS 21 -5.667 -2.860 -1.106 149 H ASP 22 HN ASP 22 -8.910 -4.196 -0.513 150 HA ASP 22 HA ASP 22 -9.866 -1.699 -1.344 151 1HB ASP 22 HB2 ASP 22 -10.778 -4.069 -1.692 152 2HB ASP 22 HB1 ASP 22 -11.563 -3.889 -0.123 153 H ASN 23 HN ASN 23 -10.487 -3.299 1.808 154 HA ASN 23 HA ASN 23 -11.921 -1.039 2.916 155 1HB ASN 23 HB2 ASN 23 -11.976 -3.526 3.556 156 2HB ASN 23 HB1 ASN 23 -10.457 -3.232 4.405 157 1HD2 ASN 23 HD21 ASN 23 -10.868 -2.916 6.596 158 2HD2 ASN 23 HD22 ASN 23 -12.183 -2.047 7.227 159 H GLN 24 HN GLN 24 -8.617 -2.325 3.465 160 HA GLN 24 HA GLN 24 -7.636 -0.422 5.268 161 1HB GLN 24 HB2 GLN 24 -6.492 -2.466 4.373 162 2HB GLN 24 HB1 GLN 24 -6.217 -1.608 2.857 163 1HG GLN 24 HG2 GLN 24 -4.211 -1.209 3.979 164 2HG GLN 24 HG1 GLN 24 -5.147 0.220 4.419 165 1HE2 GLN 24 HE21 GLN 24 -6.032 0.326 6.615 166 2HE2 GLN 24 HE22 GLN 24 -5.460 -0.702 7.839 167 H CYS 25 HN CYS 25 -7.054 -0.234 1.734 168 HA CYS 25 HA CYS 25 -6.131 2.386 1.549 169 1HB CYS 25 HB2 CYS 25 -8.039 0.880 -0.272 170 2HB CYS 25 HB1 CYS 25 -7.082 2.278 -0.755 171 H LYS 26 HN LYS 26 -9.563 1.378 1.272 172 HA LYS 26 HA LYS 26 -10.842 3.820 1.017 173 1HB LYS 26 HB2 LYS 26 -11.946 1.626 1.101 174 2HB LYS 26 HB1 LYS 26 -11.551 1.473 2.812 175 1HG LYS 26 HG2 LYS 26 -12.890 3.543 3.256 176 2HG LYS 26 HG1 LYS 26 -13.370 3.551 1.559 177 1HD LYS 26 HD2 LYS 26 -13.849 1.228 3.449 178 2HD LYS 26 HD1 LYS 26 -15.058 2.453 3.059 179 1HE LYS 26 HE2 LYS 26 -15.039 1.820 0.713 180 2HE LYS 26 HE1 LYS 26 -13.674 0.718 0.982 181 1HZ LYS 26 HZ1 LYS 26 -14.991 -0.819 1.907 182 2HZ LYS 26 HZ2 LYS 26 -16.280 0.016 1.181 183 3HZ LYS 26 HZ3 LYS 26 -15.874 0.320 2.802 184 H MET 27 HN MET 27 -10.032 2.306 4.173 185 HA MET 27 HA MET 27 -10.753 4.465 5.840 186 1HB MET 27 HB2 MET 27 -8.821 2.175 5.920 187 2HB MET 27 HB1 MET 27 -8.722 3.387 7.199 188 1HG MET 27 HG2 MET 27 -11.464 2.872 6.909 189 2HG MET 27 HG1 MET 27 -10.694 1.288 6.815 190 1HE MET 27 HE1 MET 27 -8.072 1.574 8.624 191 2HE MET 27 HE2 MET 27 -9.230 0.270 8.378 192 3HE MET 27 HE3 MET 27 -8.830 0.787 10.014 193 H LYS 28 HN LYS 28 -7.972 4.048 3.744 194 HA LYS 28 HA LYS 28 -6.511 6.337 4.925 195 1HB LYS 28 HB2 LYS 28 -5.971 4.633 2.466 196 2HB LYS 28 HB1 LYS 28 -4.815 5.689 3.278 197 1HG LYS 28 HG2 LYS 28 -5.851 4.016 5.294 198 2HG LYS 28 HG1 LYS 28 -5.537 2.961 3.916 199 1HD LYS 28 HD2 LYS 28 -3.294 3.175 4.127 200 2HD LYS 28 HD1 LYS 28 -3.402 4.920 4.361 201 1HE LYS 28 HE2 LYS 28 -4.512 3.666 6.684 202 2HE LYS 28 HE1 LYS 28 -2.934 2.923 6.353 203 1HZ LYS 28 HZ1 LYS 28 -1.848 4.887 6.563 204 2HZ LYS 28 HZ2 LYS 28 -3.155 5.246 7.587 205 3HZ LYS 28 HZ3 LYS 28 -3.149 5.809 5.985 206 H LYS 29 HN LYS 29 -9.220 6.441 3.385 207 HA LYS 29 HA LYS 29 -10.267 7.985 1.941 208 1HB LYS 29 HB2 LYS 29 -8.899 9.510 3.386 209 2HB LYS 29 HB1 LYS 29 -7.594 9.395 2.203 210 1HG LYS 29 HG2 LYS 29 -9.859 10.000 0.679 211 2HG LYS 29 HG1 LYS 29 -10.012 11.013 2.115 212 1HD LYS 29 HD2 LYS 29 -7.488 11.546 1.702 213 2HD LYS 29 HD1 LYS 29 -7.809 10.959 0.068 214 1HE LYS 29 HE2 LYS 29 -9.909 12.588 0.256 215 2HE LYS 29 HE1 LYS 29 -8.867 13.405 1.437 216 1HZ LYS 29 HZ1 LYS 29 -8.415 12.937 -1.425 217 2HZ LYS 29 HZ2 LYS 29 -7.069 12.968 -0.389 218 3HZ LYS 29 HZ3 LYS 29 -8.092 14.320 -0.499 219 H ALA 30 HN ALA 30 -8.881 5.729 0.750 220 HA ALA 30 HA ALA 30 -7.764 6.946 -1.751 221 1HB ALA 30 HB1 ALA 30 -6.334 5.393 -0.443 222 2HB ALA 30 HB2 ALA 30 -6.713 4.733 -2.033 223 3HB ALA 30 HB3 ALA 30 -7.563 4.139 -0.606 224 H SER 31 HN SER 31 -8.363 5.687 -3.782 225 HA SER 31 HA SER 31 -11.229 4.815 -3.625 226 1HB SER 31 HB2 SER 31 -9.873 6.790 -5.122 227 2HB SER 31 HB1 SER 31 -10.258 5.506 -6.265 228 HG SER 31 HG SER 31 -12.097 6.663 -4.433 229 H GLY 32 HN GLY 32 -8.100 4.160 -5.223 230 1HA GLY 32 HA2 GLY 32 -9.180 1.530 -6.121 231 2HA GLY 32 HA1 GLY 32 -7.737 2.307 -6.774 232 H GLY 33 HN GLY 33 -9.016 0.458 -4.071 233 1HA GLY 33 HA2 GLY 33 -6.208 0.066 -3.116 234 2HA GLY 33 HA1 GLY 33 -7.616 -0.037 -2.061 235 H HIS 34 HN HIS 34 -5.458 -1.847 -3.857 236 HA HIS 34 HA HIS 34 -7.073 -4.289 -3.444 237 1HB HIS 34 HB2 HIS 34 -6.907 -4.910 -5.824 238 2HB HIS 34 HB1 HIS 34 -7.749 -3.372 -5.649 239 HD1 HIS 34 HD1 HIS 34 -6.851 -1.489 -7.018 240 HD2 HIS 34 HD2 HIS 34 -3.989 -4.465 -6.442 241 HE1 HIS 34 HE1 HIS 34 -4.829 -0.812 -8.386 242 H CYS 35 HN CYS 35 -5.562 -6.144 -4.696 243 HA CYS 35 HA CYS 35 -2.854 -5.764 -3.476 244 1HB CYS 35 HB2 CYS 35 -4.564 -7.577 -2.772 245 2HB CYS 35 HB1 CYS 35 -4.160 -8.360 -4.300 246 H TYR 36 HN TYR 36 -1.153 -5.609 -4.871 247 HA TYR 36 HA TYR 36 -1.324 -6.946 -7.536 248 1HB TYR 36 HB2 TYR 36 -1.857 -4.286 -7.182 249 2HB TYR 36 HB1 TYR 36 -0.117 -4.243 -7.464 250 HD1 TYR 36 HD1 TYR 36 0.772 -4.514 -9.630 251 HD2 TYR 36 HD2 TYR 36 -3.324 -5.552 -8.862 252 HE1 TYR 36 HE1 TYR 36 0.397 -4.825 -12.060 253 HE2 TYR 36 HE2 TYR 36 -3.700 -5.864 -11.294 254 HH TYR 36 HH TYR 36 -2.822 -5.690 -13.326 255 H ALA 37 HN ALA 37 0.574 -8.039 -7.913 256 HA ALA 37 HA ALA 37 2.868 -8.613 -7.794 257 1HB ALA 37 HB1 ALA 37 3.728 -6.194 -6.406 258 2HB ALA 37 HB2 ALA 37 2.666 -5.822 -7.764 259 3HB ALA 37 HB3 ALA 37 4.141 -6.751 -8.027 260 H MET 38 HN MET 38 0.930 -9.069 -5.537 261 HA MET 38 HA MET 38 1.099 -10.080 -3.400 262 1HB MET 38 HB2 MET 38 3.607 -10.321 -4.669 263 2HB MET 38 HB1 MET 38 3.958 -9.752 -3.037 264 1HG MET 38 HG2 MET 38 3.654 -11.857 -2.305 265 2HG MET 38 HG1 MET 38 1.952 -11.710 -2.743 266 1HE MET 38 HE1 MET 38 3.101 -14.917 -3.183 267 2HE MET 38 HE2 MET 38 4.237 -13.777 -2.465 268 3HE MET 38 HE3 MET 38 4.695 -14.673 -3.911 269 H SER 39 HN SER 39 1.667 -6.930 -4.113 270 HA SER 39 HA SER 39 2.131 -6.202 -1.236 271 1HB SER 39 HB2 SER 39 2.761 -4.390 -3.545 272 2HB SER 39 HB1 SER 39 3.530 -4.478 -1.964 273 HG SER 39 HG SER 39 4.950 -5.634 -3.010 274 H CYS 40 HN CYS 40 0.686 -4.675 -0.362 275 HA CYS 40 HA CYS 40 -1.862 -4.299 -1.686 276 1HB CYS 40 HB2 CYS 40 -1.290 -4.448 0.813 277 2HB CYS 40 HB1 CYS 40 -0.752 -2.773 0.683 278 H TYR 41 HN TYR 41 -2.763 -2.228 -2.373 279 HA TYR 41 HA TYR 41 -0.922 0.062 -2.698 280 1HB TYR 41 HB2 TYR 41 -0.370 -1.484 -4.537 281 2HB TYR 41 HB1 TYR 41 -2.065 -1.525 -5.019 282 HD1 TYR 41 HD1 TYR 41 -3.057 0.262 -6.270 283 HD2 TYR 41 HD2 TYR 41 0.929 0.645 -4.720 284 HE1 TYR 41 HE1 TYR 41 -2.722 2.304 -7.637 285 HE2 TYR 41 HE2 TYR 41 1.265 2.686 -6.086 286 HH TYR 41 HH TYR 41 0.063 4.351 -7.223 287 H CYS 42 HN CYS 42 -2.122 1.922 -2.574 288 HA CYS 42 HA CYS 42 -5.069 1.723 -3.111 289 1HB CYS 42 HB2 CYS 42 -3.655 3.653 -1.252 290 2HB CYS 42 HB1 CYS 42 -5.372 3.257 -1.293 291 H GLU 43 HN GLU 43 -5.975 3.367 -4.383 292 HA GLU 43 HA GLU 43 -4.031 5.261 -5.661 293 1HB GLU 43 HB2 GLU 43 -5.416 3.330 -6.847 294 2HB GLU 43 HB1 GLU 43 -6.711 4.525 -6.792 295 1HG GLU 43 HG2 GLU 43 -5.355 6.132 -8.004 296 2HG GLU 43 HG1 GLU 43 -3.958 5.057 -7.941 297 H GLY 44 HN GLY 44 -4.287 7.153 -4.427 298 1HA GLY 44 HA2 GLY 44 -5.830 9.191 -4.656 299 2HA GLY 44 HA1 GLY 44 -7.089 8.122 -4.040 300 H LEU 45 HN LEU 45 -4.021 7.531 -2.643 301 HA LEU 45 HA LEU 45 -4.857 8.131 0.008 302 1HB LEU 45 HB2 LEU 45 -2.124 7.908 -1.296 303 2HB LEU 45 HB1 LEU 45 -2.382 7.921 0.448 304 HG LEU 45 HG LEU 45 -3.855 5.965 -1.306 305 1HD1 LEU 45 HD11 LEU 45 -1.989 4.774 -1.707 306 2HD1 LEU 45 HD12 LEU 45 -1.595 4.765 0.012 307 3HD1 LEU 45 HD13 LEU 45 -1.035 6.086 -1.016 308 1HD2 LEU 45 HD21 LEU 45 -4.494 5.037 0.676 309 2HD2 LEU 45 HD22 LEU 45 -4.042 6.597 1.360 310 3HD2 LEU 45 HD23 LEU 45 -2.900 5.255 1.397 311 HA PRO 46 HA PRO 46 -4.208 12.454 0.392 312 1HB PRO 46 HB2 PRO 46 -3.095 12.673 2.880 313 2HB PRO 46 HB1 PRO 46 -4.801 12.266 2.617 314 1HG PRO 46 HG2 PRO 46 -2.516 10.489 3.292 315 2HG PRO 46 HG1 PRO 46 -4.198 10.423 3.837 316 1HD PRO 46 HD2 PRO 46 -3.162 8.797 1.896 317 2HD PRO 46 HD1 PRO 46 -4.880 9.236 2.006 318 H GLU 47 HN GLU 47 -2.430 14.141 0.897 319 HA GLU 47 HA GLU 47 -0.048 13.514 -0.608 320 1HB GLU 47 HB2 GLU 47 -1.143 15.734 -0.465 321 2HB GLU 47 HB1 GLU 47 -0.727 15.820 1.248 322 1HG GLU 47 HG2 GLU 47 1.711 15.450 0.473 323 2HG GLU 47 HG1 GLU 47 1.121 15.875 -1.134 324 H ASN 48 HN ASN 48 -0.883 13.210 2.754 325 HA ASN 48 HA ASN 48 2.004 12.963 3.492 326 1HB ASN 48 HB2 ASN 48 1.247 13.406 5.734 327 2HB ASN 48 HB1 ASN 48 0.415 14.550 4.681 328 1HD2 ASN 48 HD21 ASN 48 -1.717 14.750 5.363 329 2HD2 ASN 48 HD22 ASN 48 -2.702 13.468 5.881 330 H ALA 49 HN ALA 49 0.016 10.881 2.189 331 HA ALA 49 HA ALA 49 -0.505 8.806 4.052 332 1HB ALA 49 HB1 ALA 49 -0.591 9.283 1.255 333 2HB ALA 49 HB2 ALA 49 -1.317 7.937 2.133 334 3HB ALA 49 HB3 ALA 49 0.315 7.787 1.484 335 H LYS 50 HN LYS 50 0.736 6.859 4.480 336 HA LYS 50 HA LYS 50 3.686 7.329 4.380 337 1HB LYS 50 HB2 LYS 50 2.151 6.840 6.487 338 2HB LYS 50 HB1 LYS 50 2.333 5.166 5.960 339 1HG LYS 50 HG2 LYS 50 4.900 5.921 5.778 340 2HG LYS 50 HG1 LYS 50 4.380 7.049 7.031 341 1HD LYS 50 HD2 LYS 50 3.837 4.074 7.162 342 2HD LYS 50 HD1 LYS 50 5.253 4.830 7.894 343 1HE LYS 50 HE2 LYS 50 2.532 5.956 8.503 344 2HE LYS 50 HE1 LYS 50 3.084 4.500 9.356 345 1HZ LYS 50 HZ1 LYS 50 5.255 5.791 9.644 346 2HZ LYS 50 HZ2 LYS 50 3.942 6.236 10.626 347 3HZ LYS 50 HZ3 LYS 50 4.346 7.172 9.266 348 H VAL 51 HN VAL 51 3.504 6.623 2.014 349 HA VAL 51 HA VAL 51 3.484 3.630 1.833 350 HB VAL 51 HB VAL 51 2.578 3.963 -0.423 351 1HG1 VAL 51 HG11 VAL 51 1.233 4.367 1.924 352 2HG1 VAL 51 HG12 VAL 51 0.458 4.303 0.341 353 3HG1 VAL 51 HG13 VAL 51 0.866 5.860 1.060 354 1HG2 VAL 51 HG21 VAL 51 2.329 6.073 -1.422 355 2HG2 VAL 51 HG22 VAL 51 3.865 6.246 -0.575 356 3HG2 VAL 51 HG23 VAL 51 2.393 6.918 0.124 357 H SER 52 HN SER 52 4.818 2.889 -0.127 358 HA SER 52 HA SER 52 7.454 4.226 -0.030 359 1HB SER 52 HB2 SER 52 6.858 1.697 0.169 360 2HB SER 52 HB1 SER 52 6.681 1.755 -1.581 361 HG SER 52 HG SER 52 8.889 2.938 -1.254 362 H ASP 53 HN ASP 53 7.979 5.719 -1.590 363 HA ASP 53 HA ASP 53 6.358 5.917 -4.053 364 1HB ASP 53 HB2 ASP 53 7.727 7.976 -4.351 365 2HB ASP 53 HB1 ASP 53 6.989 7.909 -2.750 366 H SER 54 HN SER 54 8.236 3.597 -3.591 367 HA SER 54 HA SER 54 9.882 3.951 -6.069 368 1HB SER 54 HB2 SER 54 11.658 2.689 -4.892 369 2HB SER 54 HB1 SER 54 11.242 4.157 -4.012 370 HG SER 54 HG SER 54 10.313 2.988 -2.478 371 H ALA 55 HN ALA 55 8.406 2.716 -7.336 372 HA ALA 55 HA ALA 55 7.072 0.335 -6.628 373 1HB ALA 55 HB1 ALA 55 6.416 0.615 -8.775 374 2HB ALA 55 HB2 ALA 55 8.050 0.288 -9.354 375 3HB ALA 55 HB3 ALA 55 7.585 1.929 -8.907 376 H THR 56 HN THR 56 10.442 0.896 -7.149 377 HA THR 56 HA THR 56 10.944 -2.063 -7.193 378 HB THR 56 HB THR 56 12.811 0.098 -8.175 379 HG1 THR 56 HG1 THR 56 11.257 -1.249 -10.014 380 1HG2 THR 56 HG21 THR 56 12.514 -2.871 -8.486 381 2HG2 THR 56 HG22 THR 56 13.958 -1.926 -8.122 382 3HG2 THR 56 HG23 THR 56 13.305 -1.941 -9.760 383 H ASN 57 HN ASN 57 10.894 -1.940 -4.769 384 HA ASN 57 HA ASN 57 13.560 -1.134 -3.717 385 1HB ASN 57 HB2 ASN 57 12.620 0.244 -2.022 386 2HB ASN 57 HB1 ASN 57 11.739 0.685 -3.484 387 1HD2 ASN 57 HD21 ASN 57 11.489 -1.211 -0.468 388 2HD2 ASN 57 HD22 ASN 57 9.794 -1.301 -0.473 389 H ILE 58 HN ILE 58 13.740 -1.989 -1.350 390 HA ILE 58 HA ILE 58 12.093 -4.451 -0.955 391 HB ILE 58 HB ILE 58 14.031 -5.221 -2.103 392 1HG1 ILE 58 HG12 ILE 58 14.452 -5.443 0.893 393 2HG1 ILE 58 HG11 ILE 58 13.594 -6.582 -0.144 394 1HG2 ILE 58 HG21 ILE 58 15.392 -3.235 -2.049 395 2HG2 ILE 58 HG22 ILE 58 16.336 -4.529 -1.310 396 3HG2 ILE 58 HG23 ILE 58 15.546 -3.323 -0.294 397 1HD1 ILE 58 HD11 ILE 58 16.528 -6.149 0.176 398 2HD1 ILE 58 HD12 ILE 58 15.943 -6.571 -1.433 399 3HD1 ILE 58 HD13 ILE 58 15.633 -7.649 -0.073 400 H CYS 59 HN CYS 59 12.107 -5.197 1.274 401 HA CYS 59 HA CYS 59 13.287 -3.295 3.261 402 1HB CYS 59 HB2 CYS 59 10.795 -2.954 2.595 403 2HB CYS 59 HB1 CYS 59 10.503 -4.435 3.508 404 H GLY 60 HN GLY 60 14.269 -4.385 4.930 405 1HA GLY 60 HA2 GLY 60 13.538 -6.510 6.435 406 2HA GLY 60 HA1 GLY 60 14.094 -7.328 4.974 Start of MODEL 20 1 1H LYS 1 HT1 LYS 1 -3.587 11.167 -3.820 2 2H LYS 1 HT2 LYS 1 -2.441 11.688 -2.679 3 3H LYS 1 HT3 LYS 1 -3.228 10.196 -2.478 4 HA LYS 1 HA LYS 1 -1.731 10.557 -4.961 5 1HB LYS 1 HB2 LYS 1 0.383 10.419 -3.893 6 2HB LYS 1 HB1 LYS 1 -0.500 11.600 -2.927 7 1HG LYS 1 HG2 LYS 1 -1.098 9.854 -1.303 8 2HG LYS 1 HG1 LYS 1 -0.256 8.648 -2.276 9 1HD LYS 1 HD2 LYS 1 1.869 9.800 -1.942 10 2HD LYS 1 HD1 LYS 1 1.056 11.101 -1.071 11 1HE LYS 1 HE2 LYS 1 0.232 9.286 0.560 12 2HE LYS 1 HE1 LYS 1 1.444 8.230 -0.193 13 1HZ LYS 1 HZ1 LYS 1 3.168 9.679 0.377 14 2HZ LYS 1 HZ2 LYS 1 2.202 9.639 1.774 15 3HZ LYS 1 HZ3 LYS 1 2.115 10.964 0.714 16 H ASP 2 HN ASP 2 -0.733 8.409 -5.476 17 HA ASP 2 HA ASP 2 -2.244 6.172 -4.163 18 1HB ASP 2 HB2 ASP 2 -1.075 6.213 -6.954 19 2HB ASP 2 HB1 ASP 2 -2.340 5.160 -6.321 20 H GLY 3 HN GLY 3 -1.022 4.458 -3.375 21 1HA GLY 3 HA2 GLY 3 1.609 3.788 -4.304 22 2HA GLY 3 HA1 GLY 3 1.739 4.772 -2.849 23 H TYR 4 HN TYR 4 2.750 2.620 -2.139 24 HA TYR 4 HA TYR 4 0.667 0.650 -1.286 25 1HB TYR 4 HB2 TYR 4 3.694 0.439 -1.331 26 2HB TYR 4 HB1 TYR 4 2.544 -0.886 -1.144 27 HD1 TYR 4 HD1 TYR 4 1.531 -1.917 -3.024 28 HD2 TYR 4 HD2 TYR 4 3.722 1.751 -3.507 29 HE1 TYR 4 HE1 TYR 4 1.388 -2.157 -5.487 30 HE2 TYR 4 HE2 TYR 4 3.577 1.508 -5.972 31 HH TYR 4 HH TYR 4 1.722 -1.135 -7.454 32 HA PRO 5 HA PRO 5 1.265 2.488 2.743 33 1HB PRO 5 HB2 PRO 5 -0.483 0.847 4.063 34 2HB PRO 5 HB1 PRO 5 -1.008 2.225 3.075 35 1HG PRO 5 HG2 PRO 5 -0.957 -0.675 2.400 36 2HG PRO 5 HG1 PRO 5 -2.166 0.555 2.002 37 1HD PRO 5 HD2 PRO 5 -0.303 -0.337 0.228 38 2HD PRO 5 HD1 PRO 5 -1.002 1.297 0.172 39 H VAL 6 HN VAL 6 2.650 1.913 4.426 40 HA VAL 6 HA VAL 6 3.710 -0.891 4.386 41 HB VAL 6 HB VAL 6 5.758 0.121 5.212 42 1HG1 VAL 6 HG11 VAL 6 5.150 2.171 3.208 43 2HG1 VAL 6 HG12 VAL 6 4.661 0.549 2.716 44 3HG1 VAL 6 HG13 VAL 6 6.338 0.868 3.158 45 1HG2 VAL 6 HG21 VAL 6 5.476 2.836 5.143 46 2HG2 VAL 6 HG22 VAL 6 5.377 1.876 6.620 47 3HG2 VAL 6 HG23 VAL 6 3.904 2.354 5.779 48 H ASP 7 HN ASP 7 4.736 -1.398 6.635 49 HA ASP 7 HA ASP 7 2.570 -1.227 8.625 50 1HB ASP 7 HB2 ASP 7 4.026 -2.833 9.819 51 2HB ASP 7 HB1 ASP 7 3.821 -3.311 8.133 52 H SER 8 HN SER 8 3.760 -1.052 11.025 53 HA SER 8 HA SER 8 4.361 1.717 11.377 54 1HB SER 8 HB2 SER 8 5.001 0.912 13.669 55 2HB SER 8 HB1 SER 8 3.453 0.275 13.122 56 HG SER 8 HG SER 8 4.354 -1.579 13.555 57 H LYS 9 HN LYS 9 6.311 -0.853 10.233 58 HA LYS 9 HA LYS 9 8.867 0.319 11.143 59 1HB LYS 9 HB2 LYS 9 8.580 -2.095 11.105 60 2HB LYS 9 HB1 LYS 9 8.099 -2.049 9.409 61 1HG LYS 9 HG2 LYS 9 10.316 -2.541 9.087 62 2HG LYS 9 HG1 LYS 9 10.474 -0.788 9.217 63 1HD LYS 9 HD2 LYS 9 11.778 -1.046 11.029 64 2HD LYS 9 HD1 LYS 9 10.448 -1.848 11.864 65 1HE LYS 9 HE2 LYS 9 11.475 -3.761 10.047 66 2HE LYS 9 HE1 LYS 9 12.880 -3.021 10.840 67 1HZ LYS 9 HZ1 LYS 9 12.283 -4.488 12.458 68 2HZ LYS 9 HZ2 LYS 9 10.642 -4.492 12.020 69 3HZ LYS 9 HZ3 LYS 9 11.283 -3.195 12.911 70 H GLY 10 HN GLY 10 6.915 0.106 8.182 71 1HA GLY 10 HA2 GLY 10 7.219 2.073 6.634 72 2HA GLY 10 HA1 GLY 10 8.955 1.848 6.850 73 H CYS 11 HN CYS 11 7.910 -1.209 6.854 74 HA CYS 11 HA CYS 11 8.701 -1.668 4.071 75 1HB CYS 11 HB2 CYS 11 7.593 -3.558 6.173 76 2HB CYS 11 HB1 CYS 11 8.529 -4.005 4.747 77 H LYS 12 HN LYS 12 7.324 -2.334 2.390 78 HA LYS 12 HA LYS 12 4.637 -1.453 2.308 79 1HB LYS 12 HB2 LYS 12 6.299 -3.446 0.771 80 2HB LYS 12 HB1 LYS 12 4.616 -3.150 0.331 81 1HG LYS 12 HG2 LYS 12 5.023 -0.898 -0.214 82 2HG LYS 12 HG1 LYS 12 6.528 -0.853 0.705 83 1HD LYS 12 HD2 LYS 12 7.083 -0.932 -1.656 84 2HD LYS 12 HD1 LYS 12 7.505 -2.486 -0.936 85 1HE LYS 12 HE2 LYS 12 5.209 -3.323 -1.685 86 2HE LYS 12 HE1 LYS 12 5.088 -1.835 -2.646 87 1HZ LYS 12 HZ1 LYS 12 7.119 -2.355 -3.755 88 2HZ LYS 12 HZ2 LYS 12 6.121 -3.727 -3.860 89 3HZ LYS 12 HZ3 LYS 12 7.405 -3.689 -2.748 90 H LEU 13 HN LEU 13 2.638 -2.731 2.293 91 HA LEU 13 HA LEU 13 2.707 -4.941 4.275 92 1HB LEU 13 HB2 LEU 13 1.132 -3.107 4.598 93 2HB LEU 13 HB1 LEU 13 0.492 -3.326 2.968 94 HG LEU 13 HG LEU 13 -0.253 -5.611 3.588 95 1HD1 LEU 13 HD11 LEU 13 0.658 -4.789 6.364 96 2HD1 LEU 13 HD12 LEU 13 1.432 -6.013 5.357 97 3HD1 LEU 13 HD13 LEU 13 -0.205 -6.273 5.962 98 1HD2 LEU 13 HD21 LEU 13 -1.639 -3.455 3.929 99 2HD2 LEU 13 HD22 LEU 13 -1.285 -3.656 5.646 100 3HD2 LEU 13 HD23 LEU 13 -2.177 -4.905 4.777 101 H SER 14 HN SER 14 2.755 -7.026 3.525 102 HA SER 14 HA SER 14 2.470 -7.741 0.759 103 1HB SER 14 HB2 SER 14 2.196 -9.425 3.270 104 2HB SER 14 HB1 SER 14 2.589 -10.021 1.660 105 HG SER 14 HG SER 14 4.324 -9.416 3.361 106 H CYS 15 HN CYS 15 0.592 -8.037 -0.394 107 HA CYS 15 HA CYS 15 -1.964 -8.278 1.153 108 1HB CYS 15 HB2 CYS 15 -2.965 -7.222 -0.822 109 2HB CYS 15 HB1 CYS 15 -1.598 -6.259 -0.260 110 H VAL 16 HN VAL 16 -3.299 -10.016 0.737 111 HA VAL 16 HA VAL 16 -2.390 -11.976 -1.346 112 HB VAL 16 HB VAL 16 -2.147 -12.676 1.027 113 1HG1 VAL 16 HG11 VAL 16 -4.270 -13.042 2.329 114 2HG1 VAL 16 HG12 VAL 16 -5.132 -12.148 1.077 115 3HG1 VAL 16 HG13 VAL 16 -3.896 -11.342 2.043 116 1HG2 VAL 16 HG21 VAL 16 -3.720 -14.719 0.850 117 2HG2 VAL 16 HG22 VAL 16 -2.549 -14.490 -0.449 118 3HG2 VAL 16 HG23 VAL 16 -4.233 -14.028 -0.690 119 H ALA 17 HN ALA 17 -4.964 -9.991 -0.165 120 HA ALA 17 HA ALA 17 -6.775 -11.093 -2.281 121 1HB ALA 17 HB1 ALA 17 -7.058 -11.559 0.394 122 2HB ALA 17 HB2 ALA 17 -8.413 -11.496 -0.733 123 3HB ALA 17 HB3 ALA 17 -7.992 -10.073 0.220 124 H ASN 18 HN ASN 18 -8.476 -9.476 -2.892 125 HA ASN 18 HA ASN 18 -7.324 -6.769 -3.046 126 1HB ASN 18 HB2 ASN 18 -9.772 -8.157 -4.173 127 2HB ASN 18 HB1 ASN 18 -9.370 -6.478 -4.530 128 1HD2 ASN 18 HD21 ASN 18 -8.986 -9.572 -5.718 129 2HD2 ASN 18 HD22 ASN 18 -7.585 -9.339 -6.648 130 H ASN 19 HN ASN 19 -10.444 -8.173 -1.969 131 HA ASN 19 HA ASN 19 -11.699 -5.923 -0.927 132 1HB ASN 19 HB2 ASN 19 -12.599 -7.644 0.780 133 2HB ASN 19 HB1 ASN 19 -12.812 -8.024 -0.929 134 1HD2 ASN 19 HD21 ASN 19 -11.921 -9.474 1.904 135 2HD2 ASN 19 HD22 ASN 19 -10.854 -10.651 1.306 136 H TYR 20 HN TYR 20 -9.142 -7.870 0.622 137 HA TYR 20 HA TYR 20 -9.139 -6.654 3.183 138 1HB TYR 20 HB2 TYR 20 -7.843 -8.623 2.733 139 2HB TYR 20 HB1 TYR 20 -6.974 -7.829 1.418 140 HD1 TYR 20 HD1 TYR 20 -7.550 -7.717 5.101 141 HD2 TYR 20 HD2 TYR 20 -4.991 -6.594 1.838 142 HE1 TYR 20 HE1 TYR 20 -5.842 -6.920 6.713 143 HE2 TYR 20 HE2 TYR 20 -3.282 -5.797 3.453 144 HH TYR 20 HH TYR 20 -3.158 -6.628 6.550 145 H CYS 21 HN CYS 21 -7.218 -5.782 0.289 146 HA CYS 21 HA CYS 21 -5.991 -3.458 1.434 147 1HB CYS 21 HB2 CYS 21 -6.501 -4.594 -1.297 148 2HB CYS 21 HB1 CYS 21 -5.864 -2.954 -1.166 149 H ASP 22 HN ASP 22 -8.956 -3.889 -0.513 150 HA ASP 22 HA ASP 22 -9.671 -1.210 -0.956 151 1HB ASP 22 HB2 ASP 22 -10.869 -3.129 -1.868 152 2HB ASP 22 HB1 ASP 22 -11.356 -3.635 -0.250 153 H ASN 23 HN ASN 23 -10.062 -3.171 1.986 154 HA ASN 23 HA ASN 23 -11.609 -1.188 3.431 155 1HB ASN 23 HB2 ASN 23 -11.151 -3.800 3.727 156 2HB ASN 23 HB1 ASN 23 -9.864 -3.212 4.781 157 1HD2 ASN 23 HD21 ASN 23 -13.198 -3.936 4.675 158 2HD2 ASN 23 HD22 ASN 23 -13.659 -3.149 6.107 159 H GLN 24 HN GLN 24 -8.219 -2.290 3.908 160 HA GLN 24 HA GLN 24 -7.339 -0.330 5.691 161 1HB GLN 24 HB2 GLN 24 -6.174 -2.362 4.542 162 2HB GLN 24 HB1 GLN 24 -5.705 -1.193 3.306 163 1HG GLN 24 HG2 GLN 24 -3.921 -1.303 4.936 164 2HG GLN 24 HG1 GLN 24 -4.743 0.245 5.136 165 1HE2 GLN 24 HE21 GLN 24 -5.161 0.720 7.291 166 2HE2 GLN 24 HE22 GLN 24 -5.464 -0.425 8.506 167 H CYS 25 HN CYS 25 -7.093 -0.118 2.119 168 HA CYS 25 HA CYS 25 -6.188 2.538 1.902 169 1HB CYS 25 HB2 CYS 25 -8.180 1.052 0.157 170 2HB CYS 25 HB1 CYS 25 -7.144 2.384 -0.354 171 H LYS 26 HN LYS 26 -9.598 1.444 1.673 172 HA LYS 26 HA LYS 26 -10.912 3.890 1.582 173 1HB LYS 26 HB2 LYS 26 -11.821 1.507 1.579 174 2HB LYS 26 HB1 LYS 26 -11.728 1.562 3.340 175 1HG LYS 26 HG2 LYS 26 -13.234 3.477 3.405 176 2HG LYS 26 HG1 LYS 26 -13.258 3.555 1.642 177 1HD LYS 26 HD2 LYS 26 -15.203 2.350 2.031 178 2HD LYS 26 HD1 LYS 26 -14.041 1.032 1.869 179 1HE LYS 26 HE2 LYS 26 -13.738 1.377 4.476 180 2HE LYS 26 HE1 LYS 26 -15.355 2.096 4.350 181 1HZ LYS 26 HZ1 LYS 26 -14.504 -0.647 3.844 182 2HZ LYS 26 HZ2 LYS 26 -15.673 -0.008 2.789 183 3HZ LYS 26 HZ3 LYS 26 -15.974 -0.068 4.461 184 H MET 27 HN MET 27 -9.802 2.199 4.543 185 HA MET 27 HA MET 27 -10.719 4.026 6.479 186 1HB MET 27 HB2 MET 27 -8.436 2.112 6.184 187 2HB MET 27 HB1 MET 27 -8.424 3.199 7.573 188 1HG MET 27 HG2 MET 27 -9.983 1.954 8.613 189 2HG MET 27 HG1 MET 27 -11.069 2.104 7.231 190 1HE MET 27 HE1 MET 27 -7.649 -0.395 8.124 191 2HE MET 27 HE2 MET 27 -8.969 -1.210 8.959 192 3HE MET 27 HE3 MET 27 -8.701 0.511 9.220 193 H LYS 28 HN LYS 28 -7.799 4.156 4.449 194 HA LYS 28 HA LYS 28 -6.944 6.712 5.668 195 1HB LYS 28 HB2 LYS 28 -5.915 4.755 3.622 196 2HB LYS 28 HB1 LYS 28 -5.191 6.359 3.741 197 1HG LYS 28 HG2 LYS 28 -4.357 5.979 5.875 198 2HG LYS 28 HG1 LYS 28 -5.593 4.778 6.255 199 1HD LYS 28 HD2 LYS 28 -3.873 3.314 5.886 200 2HD LYS 28 HD1 LYS 28 -4.354 3.523 4.201 201 1HE LYS 28 HE2 LYS 28 -1.994 3.902 4.211 202 2HE LYS 28 HE1 LYS 28 -2.701 5.529 4.188 203 1HZ LYS 28 HZ1 LYS 28 -0.963 5.073 5.966 204 2HZ LYS 28 HZ2 LYS 28 -2.136 4.102 6.719 205 3HZ LYS 28 HZ3 LYS 28 -2.423 5.761 6.487 206 H LYS 29 HN LYS 29 -9.492 6.283 3.964 207 HA LYS 29 HA LYS 29 -10.714 7.570 2.418 208 1HB LYS 29 HB2 LYS 29 -9.333 9.258 3.953 209 2HB LYS 29 HB1 LYS 29 -8.518 9.602 2.426 210 1HG LYS 29 HG2 LYS 29 -11.263 9.506 1.803 211 2HG LYS 29 HG1 LYS 29 -11.153 10.423 3.305 212 1HD LYS 29 HD2 LYS 29 -9.233 11.715 2.153 213 2HD LYS 29 HD1 LYS 29 -9.836 11.008 0.654 214 1HE LYS 29 HE2 LYS 29 -11.766 12.377 2.520 215 2HE LYS 29 HE1 LYS 29 -10.780 13.340 1.404 216 1HZ LYS 29 HZ1 LYS 29 -12.987 11.609 0.828 217 2HZ LYS 29 HZ2 LYS 29 -11.614 11.208 -0.091 218 3HZ LYS 29 HZ3 LYS 29 -12.255 12.780 -0.155 219 H ALA 30 HN ALA 30 -9.204 5.571 1.224 220 HA ALA 30 HA ALA 30 -7.828 6.875 -1.088 221 1HB ALA 30 HB1 ALA 30 -7.352 4.590 0.538 222 2HB ALA 30 HB2 ALA 30 -6.414 5.124 -0.856 223 3HB ALA 30 HB3 ALA 30 -7.748 3.991 -1.072 224 H SER 31 HN SER 31 -8.337 5.777 -3.270 225 HA SER 31 HA SER 31 -11.270 5.152 -3.390 226 1HB SER 31 HB2 SER 31 -9.404 6.856 -4.936 227 2HB SER 31 HB1 SER 31 -10.575 5.961 -5.898 228 HG SER 31 HG SER 31 -11.010 8.175 -4.662 229 H GLY 32 HN GLY 32 -8.050 4.198 -4.511 230 1HA GLY 32 HA2 GLY 32 -9.310 1.786 -5.763 231 2HA GLY 32 HA1 GLY 32 -7.828 2.521 -6.375 232 H GLY 33 HN GLY 33 -9.202 0.644 -3.723 233 1HA GLY 33 HA2 GLY 33 -6.437 0.103 -2.743 234 2HA GLY 33 HA1 GLY 33 -7.902 -0.164 -1.804 235 H HIS 34 HN HIS 34 -5.641 -1.598 -3.867 236 HA HIS 34 HA HIS 34 -7.182 -4.148 -3.843 237 1HB HIS 34 HB2 HIS 34 -6.422 -4.373 -6.293 238 2HB HIS 34 HB1 HIS 34 -7.707 -3.209 -5.971 239 HD1 HIS 34 HD1 HIS 34 -3.906 -3.247 -6.308 240 HD2 HIS 34 HD2 HIS 34 -7.127 -0.655 -6.846 241 HE1 HIS 34 HE1 HIS 34 -2.953 -1.112 -7.282 242 H CYS 35 HN CYS 35 -5.648 -5.983 -4.614 243 HA CYS 35 HA CYS 35 -2.987 -5.542 -3.348 244 1HB CYS 35 HB2 CYS 35 -4.299 -7.355 -2.458 245 2HB CYS 35 HB1 CYS 35 -4.644 -7.974 -4.073 246 H TYR 36 HN TYR 36 -1.237 -5.297 -4.664 247 HA TYR 36 HA TYR 36 -1.172 -6.697 -7.295 248 1HB TYR 36 HB2 TYR 36 -1.759 -3.943 -6.860 249 2HB TYR 36 HB1 TYR 36 -0.142 -4.022 -7.559 250 HD1 TYR 36 HD1 TYR 36 -3.710 -4.615 -8.117 251 HD2 TYR 36 HD2 TYR 36 0.229 -5.106 -9.759 252 HE1 TYR 36 HE1 TYR 36 -4.696 -5.070 -10.347 253 HE2 TYR 36 HE2 TYR 36 -0.758 -5.562 -11.988 254 HH TYR 36 HH TYR 36 -2.735 -5.262 -13.218 255 H ALA 37 HN ALA 37 0.930 -7.361 -7.814 256 HA ALA 37 HA ALA 37 3.257 -7.702 -7.546 257 1HB ALA 37 HB1 ALA 37 4.059 -5.599 -7.773 258 2HB ALA 37 HB2 ALA 37 4.011 -5.461 -6.016 259 3HB ALA 37 HB3 ALA 37 2.637 -4.922 -6.980 260 H MET 38 HN MET 38 1.353 -8.722 -5.548 261 HA MET 38 HA MET 38 1.422 -9.752 -3.423 262 1HB MET 38 HB2 MET 38 4.372 -9.148 -3.814 263 2HB MET 38 HB1 MET 38 3.707 -10.339 -2.696 264 1HG MET 38 HG2 MET 38 2.800 -10.580 -5.507 265 2HG MET 38 HG1 MET 38 4.503 -10.941 -5.224 266 1HE MET 38 HE1 MET 38 4.468 -13.895 -5.437 267 2HE MET 38 HE2 MET 38 3.456 -12.845 -6.426 268 3HE MET 38 HE3 MET 38 2.754 -14.269 -5.663 269 H SER 39 HN SER 39 1.549 -6.622 -3.822 270 HA SER 39 HA SER 39 2.029 -6.038 -0.922 271 1HB SER 39 HB2 SER 39 2.736 -4.121 -3.137 272 2HB SER 39 HB1 SER 39 3.355 -4.174 -1.489 273 HG SER 39 HG SER 39 3.937 -5.847 -3.686 274 H CYS 40 HN CYS 40 0.508 -4.613 -0.028 275 HA CYS 40 HA CYS 40 -2.001 -4.245 -1.406 276 1HB CYS 40 HB2 CYS 40 -1.418 -4.453 1.108 277 2HB CYS 40 HB1 CYS 40 -1.033 -2.734 1.024 278 H TYR 41 HN TYR 41 -2.926 -2.256 -2.157 279 HA TYR 41 HA TYR 41 -1.139 0.116 -2.354 280 1HB TYR 41 HB2 TYR 41 -0.717 -1.383 -4.298 281 2HB TYR 41 HB1 TYR 41 -2.431 -1.305 -4.706 282 HD1 TYR 41 HD1 TYR 41 -3.400 0.667 -5.714 283 HD2 TYR 41 HD2 TYR 41 0.715 0.628 -4.485 284 HE1 TYR 41 HE1 TYR 41 -3.004 2.768 -6.972 285 HE2 TYR 41 HE2 TYR 41 1.111 2.725 -5.745 286 HH TYR 41 HH TYR 41 -0.120 3.850 -7.876 287 H CYS 42 HN CYS 42 -2.333 2.067 -2.596 288 HA CYS 42 HA CYS 42 -5.310 1.792 -2.778 289 1HB CYS 42 HB2 CYS 42 -3.855 3.666 -0.895 290 2HB CYS 42 HB1 CYS 42 -5.562 3.238 -0.885 291 H GLU 43 HN GLU 43 -6.294 3.418 -3.981 292 HA GLU 43 HA GLU 43 -4.469 5.361 -5.330 293 1HB GLU 43 HB2 GLU 43 -6.114 3.549 -6.392 294 2HB GLU 43 HB1 GLU 43 -7.302 4.829 -6.147 295 1HG GLU 43 HG2 GLU 43 -6.405 6.151 -7.771 296 2HG GLU 43 HG1 GLU 43 -4.749 5.719 -7.342 297 H GLY 44 HN GLY 44 -4.461 7.113 -3.852 298 1HA GLY 44 HA2 GLY 44 -5.781 9.288 -3.745 299 2HA GLY 44 HA1 GLY 44 -7.140 8.290 -3.228 300 H LEU 45 HN LEU 45 -3.943 7.478 -2.108 301 HA LEU 45 HA LEU 45 -4.666 7.590 0.657 302 1HB LEU 45 HB2 LEU 45 -2.090 7.478 -0.919 303 2HB LEU 45 HB1 LEU 45 -2.081 7.481 0.845 304 HG LEU 45 HG LEU 45 -3.889 5.563 -0.579 305 1HD1 LEU 45 HD11 LEU 45 -2.177 4.517 -1.599 306 2HD1 LEU 45 HD12 LEU 45 -1.485 4.196 -0.008 307 3HD1 LEU 45 HD13 LEU 45 -1.018 5.646 -0.898 308 1HD2 LEU 45 HD21 LEU 45 -4.182 4.979 1.580 309 2HD2 LEU 45 HD22 LEU 45 -2.894 6.069 2.093 310 3HD2 LEU 45 HD23 LEU 45 -2.510 4.419 1.602 311 HA PRO 46 HA PRO 46 -3.938 11.787 1.704 312 1HB PRO 46 HB2 PRO 46 -2.661 11.601 4.117 313 2HB PRO 46 HB1 PRO 46 -4.384 11.235 3.906 314 1HG PRO 46 HG2 PRO 46 -2.075 9.382 4.144 315 2HG PRO 46 HG1 PRO 46 -3.725 9.218 4.763 316 1HD PRO 46 HD2 PRO 46 -2.788 7.949 2.516 317 2HD PRO 46 HD1 PRO 46 -4.500 8.320 2.813 318 H GLU 47 HN GLU 47 -2.330 13.398 1.488 319 HA GLU 47 HA GLU 47 0.083 12.783 0.141 320 1HB GLU 47 HB2 GLU 47 -1.262 14.966 0.376 321 2HB GLU 47 HB1 GLU 47 -0.388 15.203 1.890 322 1HG GLU 47 HG2 GLU 47 1.603 14.511 0.061 323 2HG GLU 47 HG1 GLU 47 0.536 15.579 -0.849 324 H ASN 48 HN ASN 48 -0.648 12.613 3.527 325 HA ASN 48 HA ASN 48 2.274 12.531 4.188 326 1HB ASN 48 HB2 ASN 48 1.253 12.730 6.572 327 2HB ASN 48 HB1 ASN 48 1.193 14.147 5.526 328 1HD2 ASN 48 HD21 ASN 48 -0.842 11.185 5.975 329 2HD2 ASN 48 HD22 ASN 48 -2.313 12.031 6.003 330 H ALA 49 HN ALA 49 0.271 10.339 3.125 331 HA ALA 49 HA ALA 49 0.057 8.380 5.239 332 1HB ALA 49 HB1 ALA 49 0.195 7.230 2.603 333 2HB ALA 49 HB2 ALA 49 -0.703 8.746 2.525 334 3HB ALA 49 HB3 ALA 49 -1.224 7.466 3.622 335 H LYS 50 HN LYS 50 1.323 6.380 5.383 336 HA LYS 50 HA LYS 50 4.188 6.819 4.689 337 1HB LYS 50 HB2 LYS 50 3.052 6.183 7.011 338 2HB LYS 50 HB1 LYS 50 3.156 4.550 6.352 339 1HG LYS 50 HG2 LYS 50 5.352 4.467 6.828 340 2HG LYS 50 HG1 LYS 50 5.637 5.915 5.861 341 1HD LYS 50 HD2 LYS 50 5.657 7.287 7.683 342 2HD LYS 50 HD1 LYS 50 4.378 6.386 8.499 343 1HE LYS 50 HE2 LYS 50 6.436 6.076 9.765 344 2HE LYS 50 HE1 LYS 50 6.088 4.550 8.927 345 1HZ LYS 50 HZ1 LYS 50 8.127 6.564 8.346 346 2HZ LYS 50 HZ2 LYS 50 7.403 5.785 7.021 347 3HZ LYS 50 HZ3 LYS 50 8.209 4.875 8.208 348 H VAL 51 HN VAL 51 4.235 6.136 2.478 349 HA VAL 51 HA VAL 51 3.748 3.205 2.095 350 HB VAL 51 HB VAL 51 2.833 3.796 -0.144 351 1HG1 VAL 51 HG11 VAL 51 0.869 5.308 0.954 352 2HG1 VAL 51 HG12 VAL 51 1.628 4.682 2.418 353 3HG1 VAL 51 HG13 VAL 51 1.002 3.568 1.204 354 1HG2 VAL 51 HG21 VAL 51 2.313 6.185 -0.593 355 2HG2 VAL 51 HG22 VAL 51 4.049 5.900 -0.463 356 3HG2 VAL 51 HG23 VAL 51 3.171 6.632 0.881 357 H SER 52 HN SER 52 4.913 2.421 0.065 358 HA SER 52 HA SER 52 7.676 3.412 0.076 359 1HB SER 52 HB2 SER 52 7.538 1.091 -0.073 360 2HB SER 52 HB1 SER 52 6.092 1.142 -1.077 361 HG SER 52 HG SER 52 7.313 1.594 -2.825 362 H ASP 53 HN ASP 53 8.692 4.474 -1.672 363 HA ASP 53 HA ASP 53 6.840 5.719 -3.635 364 1HB ASP 53 HB2 ASP 53 8.638 7.325 -3.891 365 2HB ASP 53 HB1 ASP 53 8.455 7.006 -2.166 366 H SER 54 HN SER 54 8.495 2.914 -3.581 367 HA SER 54 HA SER 54 9.113 3.068 -6.509 368 1HB SER 54 HB2 SER 54 11.174 1.877 -6.090 369 2HB SER 54 HB1 SER 54 11.120 3.234 -4.969 370 HG SER 54 HG SER 54 11.138 1.845 -3.404 371 H ALA 55 HN ALA 55 8.550 1.182 -7.667 372 HA ALA 55 HA ALA 55 6.491 -0.508 -6.737 373 1HB ALA 55 HB1 ALA 55 6.646 -0.851 -8.973 374 2HB ALA 55 HB2 ALA 55 7.983 -1.952 -8.637 375 3HB ALA 55 HB3 ALA 55 8.305 -0.256 -8.999 376 H THR 56 HN THR 56 9.974 -0.754 -6.379 377 HA THR 56 HA THR 56 9.819 -3.502 -5.282 378 HB THR 56 HB THR 56 12.320 -3.133 -5.157 379 HG1 THR 56 HG1 THR 56 12.020 -0.850 -6.698 380 1HG2 THR 56 HG21 THR 56 10.698 -3.620 -7.341 381 2HG2 THR 56 HG22 THR 56 12.451 -3.805 -7.312 382 3HG2 THR 56 HG23 THR 56 11.732 -2.309 -7.908 383 H ASN 57 HN ASN 57 10.216 -3.972 -3.086 384 HA ASN 57 HA ASN 57 9.690 -1.800 -1.176 385 1HB ASN 57 HB2 ASN 57 9.622 -3.698 0.405 386 2HB ASN 57 HB1 ASN 57 8.678 -4.063 -1.040 387 1HD2 ASN 57 HD21 ASN 57 11.529 -4.963 0.797 388 2HD2 ASN 57 HD22 ASN 57 11.988 -6.267 -0.188 389 H ILE 58 HN ILE 58 11.337 -0.613 -0.283 390 HA ILE 58 HA ILE 58 14.096 -1.764 -0.300 391 HB ILE 58 HB ILE 58 13.134 1.092 0.053 392 1HG1 ILE 58 HG12 ILE 58 12.458 0.026 -2.134 393 2HG1 ILE 58 HG11 ILE 58 13.555 1.396 -2.313 394 1HG2 ILE 58 HG21 ILE 58 15.828 0.053 -0.854 395 2HG2 ILE 58 HG22 ILE 58 15.466 0.435 0.830 396 3HG2 ILE 58 HG23 ILE 58 15.409 1.703 -0.394 397 1HD1 ILE 58 HD11 ILE 58 14.521 -1.468 -2.177 398 2HD1 ILE 58 HD12 ILE 58 15.439 -0.043 -2.668 399 3HD1 ILE 58 HD13 ILE 58 14.145 -0.657 -3.697 400 H CYS 59 HN CYS 59 12.944 -2.954 1.725 401 HA CYS 59 HA CYS 59 13.288 -1.233 4.156 402 1HB CYS 59 HB2 CYS 59 11.255 -2.975 3.244 403 2HB CYS 59 HB1 CYS 59 12.031 -3.801 4.595 404 H GLY 60 HN GLY 60 15.449 -2.663 2.608 405 1HA GLY 60 HA2 GLY 60 16.846 -3.792 4.873 406 2HA GLY 60 HA1 GLY 60 16.311 -5.057 3.765
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