NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21833 | 2i96 | 6921 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 21 HA MET 21 10.556 -8.937 7.750 2 H1 MET 21 1H MET 21 12.554 -6.987 6.845 3 HB2 MET 21 HB2 MET 21 9.883 -7.050 6.247 4 HB3 MET 21 HB3 MET 21 10.930 -7.713 5.010 5 HG2 MET 21 HG2 MET 21 8.708 -8.365 4.506 6 HG3 MET 21 HG3 MET 21 9.580 -9.794 5.053 7 HE1 MET 21 HE3 MET 21 6.907 -7.095 5.894 8 HE2 MET 21 HE1 MET 21 6.427 -7.516 7.537 9 HE3 MET 21 HE2 MET 21 8.030 -6.848 7.231 10 H ALA 22 HN ALA 22 13.460 -9.415 7.630 11 HA ALA 22 HA ALA 22 14.938 -11.041 7.096 12 HB1 ALA 22 HB3 ALA 22 14.100 -13.239 6.584 13 HB2 ALA 22 HB1 ALA 22 13.067 -12.494 7.805 14 HB3 ALA 22 HB2 ALA 22 12.529 -12.577 6.127 15 H GLU 23 HN GLU 23 15.542 -12.641 5.210 16 HA GLU 23 HA GLU 23 16.233 -12.970 3.097 17 HB2 GLU 23 HB2 GLU 23 13.597 -11.830 2.734 18 HB3 GLU 23 HB3 GLU 23 14.665 -11.370 1.419 19 HG2 GLU 23 HG2 GLU 23 14.336 -14.214 2.331 20 HG3 GLU 23 HG3 GLU 23 13.318 -13.475 1.095 21 H GLN 24 HN GLN 24 16.984 -11.757 1.052 22 HA GLN 24 HA GLN 24 18.979 -9.941 1.715 23 HB2 GLN 24 HB2 GLN 24 17.570 -10.426 -0.920 24 HB3 GLN 24 HB3 GLN 24 19.032 -9.462 -0.756 25 HG2 GLN 24 HG2 GLN 24 20.335 -11.307 -0.190 26 HG3 GLN 24 HG3 GLN 24 18.930 -12.291 0.227 27 HE21 GLN 24 HE21 GLN 24 17.436 -11.553 -2.126 28 HE22 GLN 24 HE22 GLN 24 18.174 -12.356 -3.467 29 H SER 25 HN SER 25 15.970 -9.219 -0.010 30 HA SER 25 HA SER 25 15.753 -6.696 1.418 31 HG SER 25 HG SER 25 15.017 -6.796 -2.407 32 HB2 SER 25 HB2 SER 25 15.224 -5.519 -0.749 33 HB3 SER 25 HB3 SER 25 16.911 -6.010 -0.588 34 H ASP 26 HN ASP 26 14.286 -8.435 -1.290 35 HA ASP 26 HA ASP 26 11.822 -8.755 0.194 36 HB2 ASP 26 HB2 ASP 26 10.435 -7.692 -1.517 37 HB3 ASP 26 HB3 ASP 26 11.570 -6.534 -0.832 38 H GLU 27 HN GLU 27 10.164 -9.696 -1.567 39 HA GLU 27 HA GLU 27 11.433 -11.583 -3.352 40 HB2 GLU 27 HB2 GLU 27 11.553 -12.803 -1.242 41 HB3 GLU 27 HB3 GLU 27 9.863 -12.455 -0.910 42 HG2 GLU 27 HG2 GLU 27 9.693 -13.719 -3.317 43 HG3 GLU 27 HG3 GLU 27 11.066 -14.538 -2.567 44 H ALA 28 HN ALA 28 8.386 -11.421 -1.596 45 HA ALA 28 HA ALA 28 7.007 -10.833 -4.133 46 HB1 ALA 28 HB3 ALA 28 5.039 -11.973 -3.143 47 HB2 ALA 28 HB1 ALA 28 6.427 -13.042 -3.340 48 HB3 ALA 28 HB2 ALA 28 6.026 -12.405 -1.747 49 H VAL 29 HN VAL 29 4.536 -10.225 -3.055 50 HA VAL 29 HA VAL 29 4.694 -7.522 -2.533 51 HB VAL 29 HB VAL 29 2.635 -8.553 -3.303 52 HG11 VAL 29 HG11 VAL 29 1.228 -9.860 -1.765 53 HG12 VAL 29 HG12 VAL 29 2.753 -10.652 -2.154 54 HG13 VAL 29 HG13 VAL 29 2.549 -9.850 -0.599 55 HG21 VAL 29 HG23 VAL 29 2.413 -6.421 -2.176 56 HG22 VAL 29 HG21 VAL 29 1.019 -7.448 -1.824 57 HG23 VAL 29 HG22 VAL 29 2.289 -7.240 -0.618 58 H LYS 30 HN LYS 30 5.109 -6.305 -0.779 59 HA LYS 30 HA LYS 30 5.257 -7.552 1.836 60 HB2 LYS 30 HB2 LYS 30 5.585 -4.635 1.109 61 HB3 LYS 30 HB3 LYS 30 5.948 -5.361 2.665 62 HG2 LYS 30 HG2 LYS 30 7.362 -5.926 0.070 63 HG3 LYS 30 HG3 LYS 30 7.967 -4.932 1.396 64 HD2 LYS 30 HD2 LYS 30 7.847 -6.949 2.864 65 HD3 LYS 30 HD3 LYS 30 7.433 -7.902 1.436 66 HE2 LYS 30 HE2 LYS 30 9.546 -7.115 0.379 67 HE3 LYS 30 HE3 LYS 30 9.964 -6.335 1.904 68 HZ1 LYS 30 HZ3 LYS 30 11.043 -8.447 1.791 69 HZ2 LYS 30 HZ1 LYS 30 9.588 -9.242 1.439 70 HZ3 LYS 30 HZ2 LYS 30 9.824 -8.547 2.961 71 H TYR 31 HN TYR 31 3.582 -7.634 3.201 72 HA TYR 31 HA TYR 31 1.236 -5.972 2.632 73 HD1 TYR 31 HD2 TYR 31 -0.697 -7.658 1.750 74 HD2 TYR 31 HD1 TYR 31 2.134 -10.163 3.699 75 HE1 TYR 31 HE2 TYR 31 -1.158 -9.437 0.117 76 HE2 TYR 31 HE1 TYR 31 1.679 -11.950 2.075 77 HH TYR 31 HH TYR 31 0.017 -11.449 -0.798 78 HB2 TYR 31 HB2 TYR 31 1.534 -8.167 4.690 79 HB3 TYR 31 HB3 TYR 31 0.048 -7.354 4.228 80 H TYR 32 HN TYR 32 0.190 -4.903 4.491 81 HA TYR 32 HA TYR 32 1.902 -4.622 6.845 82 HD1 TYR 32 HD1 TYR 32 3.356 -2.361 7.707 83 HD2 TYR 32 HD2 TYR 32 2.110 -2.160 3.647 84 HE1 TYR 32 HE1 TYR 32 5.628 -1.688 7.050 85 HE2 TYR 32 HE2 TYR 32 4.378 -1.486 2.976 86 HH TYR 32 HH TYR 32 6.373 -0.422 4.020 87 HB2 TYR 32 HB2 TYR 32 0.496 -2.400 5.367 88 HB3 TYR 32 HB3 TYR 32 0.944 -2.242 7.061 89 H THR 33 HN THR 33 0.828 -4.824 8.776 90 HA THR 33 HA THR 33 -1.641 -6.175 8.696 91 HB THR 33 HB THR 33 -1.469 -5.518 11.274 92 HG1 THR 33 HG1 THR 33 0.488 -4.843 11.822 93 HG21 THR 33 HG23 THR 33 0.234 -7.559 9.860 94 HG22 THR 33 HG21 THR 33 -1.429 -7.784 10.401 95 HG23 THR 33 HG22 THR 33 -0.138 -7.564 11.584 96 H LEU 34 HN LEU 34 -3.697 -5.596 9.168 97 HA LEU 34 HA LEU 34 -4.555 -2.971 8.619 98 HG LEU 34 HG LEU 34 -7.193 -3.036 10.329 99 HB2 LEU 34 HB2 LEU 34 -5.977 -4.984 8.349 100 HB3 LEU 34 HB3 LEU 34 -5.992 -5.188 10.096 101 HD11 LEU 34 HD11 LEU 34 -6.423 -1.892 8.347 102 HD12 LEU 34 HD12 LEU 34 -7.218 -3.080 7.313 103 HD13 LEU 34 HD13 LEU 34 -8.184 -2.005 8.326 104 HD21 LEU 34 HD23 LEU 34 -8.410 -5.164 10.193 105 HD22 LEU 34 HD21 LEU 34 -9.333 -3.828 9.508 106 HD23 LEU 34 HD22 LEU 34 -8.526 -4.981 8.442 107 H GLU 35 HN GLU 35 -3.623 -4.583 11.496 108 HA GLU 35 HA GLU 35 -4.889 -2.866 13.396 109 HB2 GLU 35 HB2 GLU 35 -4.523 -5.180 13.943 110 HB3 GLU 35 HB3 GLU 35 -2.817 -5.066 13.543 111 HG2 GLU 35 HG2 GLU 35 -3.906 -3.396 15.751 112 HG3 GLU 35 HG3 GLU 35 -3.630 -5.115 16.021 113 H GLU 36 HN GLU 36 -2.241 -2.700 11.432 114 HA GLU 36 HA GLU 36 -0.527 -1.174 13.232 115 HB2 GLU 36 HB2 GLU 36 0.777 -2.822 12.321 116 HB3 GLU 36 HB3 GLU 36 -0.200 -2.926 10.865 117 HG2 GLU 36 HG2 GLU 36 1.914 -2.160 10.208 118 HG3 GLU 36 HG3 GLU 36 0.830 -0.777 10.151 119 H ILE 37 HN ILE 37 -1.823 -1.066 9.936 120 HA ILE 37 HA ILE 37 -0.939 1.514 9.285 121 HB ILE 37 HB ILE 37 -3.428 0.159 8.239 122 HG12 ILE 37 HG12 ILE 37 -0.590 -0.017 7.207 123 HG13 ILE 37 HG13 ILE 37 -1.407 -1.291 8.112 124 HG21 ILE 37 HG21 ILE 37 -3.036 1.494 6.236 125 HG22 ILE 37 HG22 ILE 37 -3.225 2.530 7.651 126 HG23 ILE 37 HG23 ILE 37 -1.618 2.224 6.993 127 HD11 ILE 37 HD13 ILE 37 -3.039 -1.516 6.329 128 HD12 ILE 37 HD11 ILE 37 -2.262 -0.215 5.433 129 HD13 ILE 37 HD12 ILE 37 -1.402 -1.727 5.716 130 H GLN 38 HN GLN 38 -3.663 0.376 11.115 131 HA GLN 38 HA GLN 38 -5.220 2.690 11.279 132 HB2 GLN 38 HB2 GLN 38 -4.705 0.456 13.231 133 HB3 GLN 38 HB3 GLN 38 -5.825 1.760 13.584 134 HG2 GLN 38 HG2 GLN 38 -6.052 0.008 11.154 135 HG3 GLN 38 HG3 GLN 38 -6.804 -0.384 12.693 136 HE21 GLN 38 HE21 GLN 38 -6.558 2.885 11.368 137 HE22 GLN 38 HE22 GLN 38 -8.254 3.094 11.123 138 H LYS 39 HN LYS 39 -2.192 1.845 12.773 139 HA LYS 39 HA LYS 39 -2.394 3.864 14.842 140 HB2 LYS 39 HB2 LYS 39 -0.171 1.945 14.125 141 HB3 LYS 39 HB3 LYS 39 -0.182 2.989 15.534 142 HG2 LYS 39 HG2 LYS 39 -2.329 1.812 16.209 143 HG3 LYS 39 HG3 LYS 39 -1.943 0.636 14.950 144 HD2 LYS 39 HD2 LYS 39 -0.067 1.359 17.191 145 HD3 LYS 39 HD3 LYS 39 -1.177 -0.012 17.239 146 HE2 LYS 39 HE2 LYS 39 0.717 0.320 14.959 147 HE3 LYS 39 HE3 LYS 39 1.279 -0.378 16.475 148 HZ1 LYS 39 HZ3 LYS 39 -0.414 -2.091 16.277 149 HZ2 LYS 39 HZ1 LYS 39 0.569 -2.071 14.894 150 HZ3 LYS 39 HZ2 LYS 39 -0.986 -1.398 14.844 151 H HIS 40 HN HIS 40 -1.778 3.992 11.690 152 HA HIS 40 HA HIS 40 0.303 6.069 11.921 153 HD1 HIS 40 HD1 HIS 40 2.033 2.417 9.830 154 HD2 HIS 40 HD2 HIS 40 2.434 5.735 12.282 155 HE1 HIS 40 HE1 HIS 40 4.210 2.100 11.034 156 HE2 HIS 40 HE2 HIS 40 4.544 4.231 12.335 157 HB2 HIS 40 HB2 HIS 40 -0.070 3.845 9.957 158 HB3 HIS 40 HB3 HIS 40 0.698 5.336 9.423 159 H ASN 41 HN ASN 41 -2.398 6.579 12.214 160 HA ASN 41 HA ASN 41 -3.322 7.680 9.654 161 HB2 ASN 41 HB2 ASN 41 -5.496 7.686 10.605 162 HB3 ASN 41 HB3 ASN 41 -4.761 6.178 11.137 163 HD21 ASN 41 HD21 ASN 41 -6.297 9.017 12.089 164 HD22 ASN 41 HD22 ASN 41 -6.078 8.858 13.797 165 H HIS 42 HN HIS 42 -1.199 8.861 11.504 166 HA HIS 42 HA HIS 42 -2.516 11.411 12.103 167 HD1 HIS 42 HD1 HIS 42 1.018 9.932 12.992 168 HD2 HIS 42 HD2 HIS 42 -1.548 8.316 15.835 169 HE1 HIS 42 HE1 HIS 42 2.320 8.093 14.107 170 HE2 HIS 42 HE2 HIS 42 0.758 7.134 15.845 171 HB2 HIS 42 HB2 HIS 42 -1.365 11.468 14.319 172 HB3 HIS 42 HB3 HIS 42 -2.588 10.212 14.186 173 H SER 43 HN SER 43 -0.829 13.053 12.908 174 HA SER 43 HA SER 43 0.613 13.971 10.842 175 HG SER 43 HG SER 43 -0.081 16.272 12.799 176 HB2 SER 43 HB2 SER 43 1.448 14.285 13.729 177 HB3 SER 43 HB3 SER 43 1.782 15.407 12.410 178 H LYS 44 HN LYS 44 2.157 12.219 13.523 179 HA LYS 44 HA LYS 44 4.788 12.486 12.721 180 HB2 LYS 44 HB2 LYS 44 3.382 11.170 14.784 181 HB3 LYS 44 HB3 LYS 44 4.456 9.977 14.073 182 HG2 LYS 44 HG2 LYS 44 5.252 12.649 15.213 183 HG3 LYS 44 HG3 LYS 44 5.544 11.061 15.927 184 HD2 LYS 44 HD2 LYS 44 6.908 10.488 13.923 185 HD3 LYS 44 HD3 LYS 44 6.707 12.147 13.365 186 HE2 LYS 44 HE2 LYS 44 8.023 11.280 15.937 187 HE3 LYS 44 HE3 LYS 44 8.850 11.853 14.489 188 HZ1 LYS 44 HZ3 LYS 44 7.690 13.989 14.761 189 HZ2 LYS 44 HZ1 LYS 44 8.682 13.620 16.085 190 HZ3 LYS 44 HZ2 LYS 44 7.004 13.429 16.209 191 H SER 45 HN SER 45 2.439 10.357 11.451 192 HA SER 45 HA SER 45 4.056 9.573 9.302 193 HG SER 45 HG SER 45 4.312 7.431 8.612 194 HB2 SER 45 HB2 SER 45 5.031 8.005 10.977 195 HB3 SER 45 HB3 SER 45 3.426 7.336 11.249 196 H THR 46 HN THR 46 2.579 9.618 7.737 197 HA THR 46 HA THR 46 -0.179 8.897 8.481 198 HB THR 46 HB THR 46 0.688 10.757 6.260 199 HG1 THR 46 HG1 THR 46 1.026 11.362 8.637 200 HG21 THR 46 HG23 THR 46 -1.619 11.416 6.169 201 HG22 THR 46 HG21 THR 46 -2.015 10.404 7.557 202 HG23 THR 46 HG22 THR 46 -1.545 9.661 6.026 203 H TRP 47 HN TRP 47 -0.658 6.945 7.747 204 HA TRP 47 HA TRP 47 0.057 6.333 4.959 205 HD1 TRP 47 HD1 TRP 47 2.150 6.259 5.763 206 HE1 TRP 47 HE1 TRP 47 4.374 5.112 6.348 207 HE3 TRP 47 HE3 TRP 47 0.322 1.790 7.418 208 HZ2 TRP 47 HZ2 TRP 47 5.238 2.617 7.387 209 HZ3 TRP 47 HZ3 TRP 47 1.906 0.073 8.187 210 HH2 TRP 47 HH2 TRP 47 4.315 0.480 8.169 211 HB2 TRP 47 HB2 TRP 47 -0.678 4.464 7.221 212 HB3 TRP 47 HB3 TRP 47 -0.566 3.956 5.544 213 H LEU 48 HN LEU 48 -1.710 5.138 3.765 214 HA LEU 48 HA LEU 48 -4.338 5.337 4.930 215 HG LEU 48 HG LEU 48 -3.638 6.086 1.329 216 HB2 LEU 48 HB2 LEU 48 -5.376 6.585 3.138 217 HB3 LEU 48 HB3 LEU 48 -4.141 7.550 3.913 218 HD11 LEU 48 HD11 LEU 48 -5.532 7.599 1.021 219 HD12 LEU 48 HD12 LEU 48 -4.591 8.922 1.714 220 HD13 LEU 48 HD13 LEU 48 -4.095 8.190 0.186 221 HD21 LEU 48 HD23 LEU 48 -2.299 8.421 2.692 222 HD22 LEU 48 HD21 LEU 48 -1.647 6.790 2.516 223 HD23 LEU 48 HD22 LEU 48 -1.884 7.802 1.091 224 H ILE 49 HN ILE 49 -5.988 4.230 3.665 225 HA ILE 49 HA ILE 49 -4.871 2.385 1.648 226 HB ILE 49 HB ILE 49 -7.084 1.692 3.583 227 HG12 ILE 49 HG12 ILE 49 -4.190 0.833 3.735 228 HG13 ILE 49 HG13 ILE 49 -4.893 2.108 4.723 229 HG21 ILE 49 HG21 ILE 49 -5.433 0.012 1.695 230 HG22 ILE 49 HG22 ILE 49 -6.609 -0.618 2.846 231 HG23 ILE 49 HG23 ILE 49 -7.140 0.419 1.524 232 HD11 ILE 49 HD13 ILE 49 -4.748 0.036 5.959 233 HD12 ILE 49 HD11 ILE 49 -6.434 0.493 5.707 234 HD13 ILE 49 HD12 ILE 49 -5.712 -0.786 4.730 235 H LEU 50 HN LEU 50 -5.770 2.911 -0.267 236 HA LEU 50 HA LEU 50 -8.235 4.362 -0.364 237 HG LEU 50 HG LEU 50 -5.597 5.302 -1.539 238 HB2 LEU 50 HB2 LEU 50 -6.468 3.251 -2.519 239 HB3 LEU 50 HB3 LEU 50 -7.991 4.039 -2.871 240 HD11 LEU 50 HD11 LEU 50 -5.302 4.962 -3.913 241 HD12 LEU 50 HD12 LEU 50 -6.877 5.689 -4.240 242 HD13 LEU 50 HD13 LEU 50 -5.568 6.675 -3.585 243 HD21 LEU 50 HD23 LEU 50 -6.900 7.389 -1.673 244 HD22 LEU 50 HD21 LEU 50 -8.297 6.467 -2.219 245 HD23 LEU 50 HD22 LEU 50 -7.651 6.209 -0.600 246 H HIS 51 HN HIS 51 -7.286 1.077 -0.811 247 HA HIS 51 HA HIS 51 -9.984 0.137 -0.770 248 HD1 HIS 51 HD1 HIS 51 -12.127 -0.699 -2.681 249 HD2 HIS 51 HD2 HIS 51 -9.900 2.474 -4.209 250 HE1 HIS 51 HE1 HIS 51 -13.799 0.891 -3.684 251 HE2 HIS 51 HE2 HIS 51 -12.439 2.810 -4.599 252 HB2 HIS 51 HB2 HIS 51 -8.518 0.245 -3.376 253 HB3 HIS 51 HB3 HIS 51 -9.506 -1.167 -3.037 254 H HIS 52 HN HIS 52 -6.613 -0.547 -1.502 255 HA HIS 52 HA HIS 52 -6.770 -3.077 -0.080 256 HD1 HIS 52 HD1 HIS 52 -8.015 -5.357 -3.367 257 HD2 HIS 52 HD2 HIS 52 -5.384 -5.375 -0.157 258 HE1 HIS 52 HE1 HIS 52 -8.154 -7.668 -2.397 259 HE2 HIS 52 HE2 HIS 52 -6.855 -7.491 -0.249 260 HB2 HIS 52 HB2 HIS 52 -7.206 -3.080 -2.780 261 HB3 HIS 52 HB3 HIS 52 -5.465 -3.337 -2.708 262 H LYS 53 HN LYS 53 -4.806 -0.973 -2.127 263 HA LYS 53 HA LYS 53 -2.337 -1.806 -0.905 264 HB2 LYS 53 HB2 LYS 53 -3.007 0.379 -2.889 265 HB3 LYS 53 HB3 LYS 53 -1.375 0.034 -2.331 266 HG2 LYS 53 HG2 LYS 53 -1.373 -2.082 -3.370 267 HG3 LYS 53 HG3 LYS 53 -3.113 -2.032 -3.647 268 HD2 LYS 53 HD2 LYS 53 -2.879 -0.348 -5.306 269 HD3 LYS 53 HD3 LYS 53 -1.190 -0.061 -4.876 270 HE2 LYS 53 HE2 LYS 53 -1.530 -1.389 -6.972 271 HE3 LYS 53 HE3 LYS 53 -0.536 -2.179 -5.752 272 HZ1 LYS 53 HZ3 LYS 53 -2.228 -3.631 -6.831 273 HZ2 LYS 53 HZ1 LYS 53 -3.433 -2.705 -6.077 274 HZ3 LYS 53 HZ2 LYS 53 -2.324 -3.577 -5.134 275 H VAL 54 HN VAL 54 -1.069 -0.620 0.470 276 HA VAL 54 HA VAL 54 -2.347 1.619 1.886 277 HB VAL 54 HB VAL 54 -1.527 -0.179 3.307 278 HG11 VAL 54 HG11 VAL 54 1.173 0.330 2.077 279 HG12 VAL 54 HG12 VAL 54 0.857 -0.725 3.452 280 HG13 VAL 54 HG13 VAL 54 0.179 -1.111 1.872 281 HG21 VAL 54 HG23 VAL 54 0.126 2.337 3.477 282 HG22 VAL 54 HG21 VAL 54 -1.398 1.988 4.296 283 HG23 VAL 54 HG22 VAL 54 0.063 1.107 4.743 284 H TYR 55 HN TYR 55 -1.462 3.642 1.876 285 HA TYR 55 HA TYR 55 0.931 4.067 0.196 286 HD1 TYR 55 HD2 TYR 55 -2.517 3.528 -0.196 287 HD2 TYR 55 HD1 TYR 55 -0.329 6.214 -2.666 288 HE1 TYR 55 HE2 TYR 55 -3.662 2.633 -2.176 289 HE2 TYR 55 HE1 TYR 55 -1.479 5.328 -4.652 290 HH TYR 55 HH TYR 55 -2.696 3.486 -5.400 291 HB2 TYR 55 HB2 TYR 55 -1.420 5.949 0.558 292 HB3 TYR 55 HB3 TYR 55 0.016 6.287 -0.393 293 H ASP 56 HN ASP 56 2.038 6.198 0.755 294 HA ASP 56 HA ASP 56 1.721 6.866 3.613 295 HB2 ASP 56 HB2 ASP 56 3.821 5.622 3.332 296 HB3 ASP 56 HB3 ASP 56 4.320 6.719 2.051 297 H LEU 57 HN LEU 57 1.622 9.087 4.064 298 HA LEU 57 HA LEU 57 2.461 10.887 1.874 299 HG LEU 57 HG LEU 57 -0.462 9.582 2.146 300 HB2 LEU 57 HB2 LEU 57 0.128 11.543 3.656 301 HB3 LEU 57 HB3 LEU 57 0.650 12.375 2.220 302 HD11 LEU 57 HD11 LEU 57 -2.136 11.149 3.069 303 HD12 LEU 57 HD12 LEU 57 -1.931 12.169 1.645 304 HD13 LEU 57 HD13 LEU 57 -2.580 10.537 1.474 305 HD21 LEU 57 HD23 LEU 57 0.908 10.278 0.233 306 HD22 LEU 57 HD21 LEU 57 -0.787 10.062 -0.210 307 HD23 LEU 57 HD22 LEU 57 -0.134 11.684 0.014 308 H THR 58 HN THR 58 3.716 9.934 4.444 309 HA THR 58 HA THR 58 3.319 11.639 6.591 310 HB THR 58 HB THR 58 5.913 10.286 5.865 311 HG1 THR 58 HG1 THR 58 4.533 8.619 6.058 312 HG21 THR 58 HG23 THR 58 4.849 11.202 8.542 313 HG22 THR 58 HG21 THR 58 6.177 11.948 7.653 314 HG23 THR 58 HG22 THR 58 6.345 10.308 8.279 315 H LYS 59 HN LYS 59 5.611 12.071 3.907 316 HA LYS 59 HA LYS 59 6.154 14.777 4.897 317 HB2 LYS 59 HB2 LYS 59 7.633 12.844 3.335 318 HB3 LYS 59 HB3 LYS 59 7.581 14.401 2.516 319 HG2 LYS 59 HG2 LYS 59 8.548 13.892 5.337 320 HG3 LYS 59 HG3 LYS 59 9.558 14.208 3.923 321 HD2 LYS 59 HD2 LYS 59 7.505 16.137 5.021 322 HD3 LYS 59 HD3 LYS 59 9.230 16.192 5.390 323 HE2 LYS 59 HE2 LYS 59 9.749 16.517 3.043 324 HE3 LYS 59 HE3 LYS 59 8.046 16.382 2.626 325 HZ1 LYS 59 HZ3 LYS 59 9.208 18.505 4.343 326 HZ2 LYS 59 HZ1 LYS 59 7.591 18.399 3.842 327 HZ3 LYS 59 HZ2 LYS 59 8.821 18.686 2.705 328 H PHE 60 HN PHE 60 4.140 13.159 2.736 329 HA PHE 60 HA PHE 60 4.209 14.958 0.541 330 HD1 PHE 60 HD2 PHE 60 4.752 13.350 -1.624 331 HD2 PHE 60 HD1 PHE 60 3.946 10.962 1.796 332 HE1 PHE 60 HE2 PHE 60 6.625 11.861 -2.236 333 HE2 PHE 60 HE1 PHE 60 5.826 9.463 1.199 334 HZ PHE 60 HZ PHE 60 7.164 9.915 -0.821 335 HB2 PHE 60 HB2 PHE 60 2.457 12.600 1.194 336 HB3 PHE 60 HB3 PHE 60 2.551 13.394 -0.357 337 H LEU 61 HN LEU 61 2.852 15.010 3.462 338 HA LEU 61 HA LEU 61 0.165 15.438 3.314 339 HG LEU 61 HG LEU 61 2.029 14.137 5.321 340 HB2 LEU 61 HB2 LEU 61 2.243 16.602 5.154 341 HB3 LEU 61 HB3 LEU 61 0.524 16.755 5.447 342 HD11 LEU 61 HD11 LEU 61 2.740 15.508 7.198 343 HD12 LEU 61 HD12 LEU 61 1.058 15.766 7.663 344 HD13 LEU 61 HD13 LEU 61 1.763 14.153 7.759 345 HD21 LEU 61 HD23 LEU 61 -0.021 13.241 6.352 346 HD22 LEU 61 HD21 LEU 61 -0.787 14.817 6.162 347 HD23 LEU 61 HD22 LEU 61 -0.318 13.890 4.737 348 H GLU 62 HN GLU 62 2.781 17.598 2.717 349 HA GLU 62 HA GLU 62 1.143 20.007 2.700 350 HB2 GLU 62 HB2 GLU 62 3.362 21.136 2.495 351 HB3 GLU 62 HB3 GLU 62 3.211 20.134 3.927 352 HG2 GLU 62 HG2 GLU 62 4.382 18.318 2.531 353 HG3 GLU 62 HG3 GLU 62 4.826 19.642 1.454 354 H GLU 63 HN GLU 63 2.721 17.808 0.574 355 HA GLU 63 HA GLU 63 3.078 19.570 -1.653 356 HB2 GLU 63 HB2 GLU 63 3.264 16.579 -1.323 357 HB3 GLU 63 HB3 GLU 63 3.523 17.380 -2.869 358 HG2 GLU 63 HG2 GLU 63 5.096 17.953 -0.366 359 HG3 GLU 63 HG3 GLU 63 5.604 16.846 -1.642 360 H HIS 64 HN HIS 64 0.483 17.712 -0.464 361 HA HIS 64 HA HIS 64 -0.756 17.379 -3.033 362 HD1 HIS 64 HD1 HIS 64 -3.893 16.420 0.056 363 HD2 HIS 64 HD2 HIS 64 -2.727 14.792 -3.636 364 HE1 HIS 64 HE1 HIS 64 -5.967 15.338 -0.960 365 HB2 HIS 64 HB3 HIS 64 -0.760 15.485 -1.614 366 HB3 HIS 64 HB2 HIS 64 -1.384 16.379 -0.266 367 HA PRO 65 HA PRO 65 -3.119 21.191 -2.856 368 HB2 PRO 65 HB2 PRO 65 -5.110 19.450 -4.255 369 HB3 PRO 65 HB3 PRO 65 -4.543 21.070 -4.671 370 HG2 PRO 65 HG2 PRO 65 -3.644 18.952 -5.986 371 HG3 PRO 65 HG3 PRO 65 -2.553 20.290 -5.572 372 HD2 PRO 65 HD2 PRO 65 -2.765 17.580 -4.368 373 HD3 PRO 65 HD3 PRO 65 -1.346 18.625 -4.559 374 H GLY 66 HN GLY 66 -3.889 21.625 -0.819 375 HA2 GLY 66 HA1 GLY 66 -5.418 21.731 0.896 376 HA3 GLY 66 HA2 GLY 66 -6.594 21.101 -0.247 377 H GLY 67 HN GLY 67 -3.722 19.845 1.424 378 HA2 GLY 67 HA1 GLY 67 -5.322 17.477 2.150 379 HA3 GLY 67 HA2 GLY 67 -3.582 17.463 1.913 380 H GLU 68 HN GLU 68 -2.532 17.240 3.729 381 HA GLU 68 HA GLU 68 -1.935 17.219 5.904 382 HB2 GLU 68 HB2 GLU 68 -1.845 19.745 5.083 383 HB3 GLU 68 HB3 GLU 68 -3.059 19.941 6.339 384 HG2 GLU 68 HG2 GLU 68 -1.544 19.067 8.002 385 HG3 GLU 68 HG3 GLU 68 -0.345 18.710 6.760 386 H GLU 69 HN GLU 69 -4.721 19.317 6.367 387 HA GLU 69 HA GLU 69 -5.514 18.125 8.790 388 HB2 GLU 69 HB2 GLU 69 -7.034 19.932 6.904 389 HB3 GLU 69 HB3 GLU 69 -7.545 19.532 8.535 390 HG2 GLU 69 HG2 GLU 69 -4.959 20.915 7.879 391 HG3 GLU 69 HG3 GLU 69 -6.454 21.750 8.300 392 H VAL 70 HN VAL 70 -6.940 17.977 5.539 393 HA VAL 70 HA VAL 70 -9.136 16.369 6.456 394 HB VAL 70 HB VAL 70 -9.857 16.319 4.120 395 HG11 VAL 70 HG11 VAL 70 -8.994 19.004 5.166 396 HG12 VAL 70 HG12 VAL 70 -10.138 18.772 3.846 397 HG13 VAL 70 HG13 VAL 70 -10.525 18.182 5.461 398 HG21 VAL 70 HG23 VAL 70 -7.694 16.176 3.014 399 HG22 VAL 70 HG21 VAL 70 -8.607 17.559 2.406 400 HG23 VAL 70 HG22 VAL 70 -7.294 17.807 3.555 401 H LEU 71 HN LEU 71 -6.005 15.598 5.664 402 HA LEU 71 HA LEU 71 -6.542 13.110 4.352 403 HG LEU 71 HG LEU 71 -4.608 15.464 3.702 404 HB2 LEU 71 HB2 LEU 71 -4.033 14.125 5.677 405 HB3 LEU 71 HB3 LEU 71 -4.140 12.659 4.720 406 HD11 LEU 71 HD11 LEU 71 -2.547 15.119 2.459 407 HD12 LEU 71 HD12 LEU 71 -2.266 14.979 4.194 408 HD13 LEU 71 HD13 LEU 71 -2.356 13.528 3.195 409 HD21 LEU 71 HD23 LEU 71 -6.009 13.820 2.554 410 HD22 LEU 71 HD21 LEU 71 -4.738 14.434 1.497 411 HD23 LEU 71 HD22 LEU 71 -4.586 12.834 2.221 412 H ARG 72 HN ARG 72 -5.785 14.173 7.598 413 HA ARG 72 HA ARG 72 -5.067 11.775 8.784 414 HE ARG 72 HE ARG 72 -6.183 15.586 11.434 415 HB2 ARG 72 HB2 ARG 72 -6.468 14.104 10.088 416 HB3 ARG 72 HB3 ARG 72 -5.501 12.887 10.908 417 HG2 ARG 72 HG2 ARG 72 -3.515 13.654 9.698 418 HG3 ARG 72 HG3 ARG 72 -4.492 14.879 8.884 419 HD2 ARG 72 HD2 ARG 72 -3.930 14.670 11.840 420 HD3 ARG 72 HD3 ARG 72 -3.336 15.902 10.723 421 HH11 ARG 72 HH12 ARG 72 -3.406 17.544 10.660 422 HH12 ARG 72 HH11 ARG 72 -4.253 19.059 10.794 423 HH21 ARG 72 HH22 ARG 72 -7.327 17.574 11.640 424 HH22 ARG 72 HH21 ARG 72 -6.484 19.074 11.350 425 H GLU 73 HN GLU 73 -8.175 13.031 8.051 426 HA GLU 73 HA GLU 73 -9.720 11.565 9.961 427 HB2 GLU 73 HB2 GLU 73 -10.360 13.778 9.058 428 HB3 GLU 73 HB3 GLU 73 -10.518 13.072 7.459 429 HG2 GLU 73 HG2 GLU 73 -12.690 13.377 8.418 430 HG3 GLU 73 HG3 GLU 73 -12.346 11.651 8.293 431 H GLN 74 HN GLN 74 -8.514 10.990 6.796 432 HA GLN 74 HA GLN 74 -10.384 8.752 6.338 433 HB2 GLN 74 HB2 GLN 74 -8.797 10.330 4.298 434 HB3 GLN 74 HB3 GLN 74 -10.063 9.154 3.968 435 HG2 GLN 74 HG2 GLN 74 -10.555 11.693 5.493 436 HG3 GLN 74 HG3 GLN 74 -10.692 11.588 3.738 437 HE21 GLN 74 HE21 GLN 74 -12.879 12.112 3.822 438 HE22 GLN 74 HE22 GLN 74 -14.072 10.981 4.349 439 H ALA 75 HN ALA 75 -7.325 9.492 7.261 440 HA ALA 75 HA ALA 75 -5.914 7.537 5.641 441 HB1 ALA 75 HB3 ALA 75 -3.900 8.359 6.788 442 HB2 ALA 75 HB1 ALA 75 -4.807 9.656 6.011 443 HB3 ALA 75 HB2 ALA 75 -4.907 9.435 7.757 444 H GLY 76 HN GLY 76 -4.400 6.045 6.724 445 HA2 GLY 76 HA1 GLY 76 -3.918 4.385 8.263 446 HA3 GLY 76 HA2 GLY 76 -5.101 5.101 9.358 447 H GLY 77 HN GLY 77 -7.311 5.087 7.599 448 HA2 GLY 77 HA1 GLY 77 -7.716 2.185 7.199 449 HA3 GLY 77 HA2 GLY 77 -8.997 3.292 7.709 450 H ASP 78 HN ASP 78 -10.385 3.032 5.977 451 HA ASP 78 HA ASP 78 -9.393 3.171 3.279 452 HB2 ASP 78 HB2 ASP 78 -11.359 1.775 3.861 453 HB3 ASP 78 HB3 ASP 78 -12.261 3.235 4.241 454 H ALA 79 HN ALA 79 -9.418 4.884 1.903 455 HA ALA 79 HA ALA 79 -10.439 7.437 2.986 456 HB1 ALA 79 HB3 ALA 79 -8.587 8.575 1.913 457 HB2 ALA 79 HB1 ALA 79 -7.987 7.338 3.020 458 HB3 ALA 79 HB2 ALA 79 -7.988 7.041 1.282 459 H THR 80 HN THR 80 -11.320 5.254 0.877 460 HA THR 80 HA THR 80 -11.096 6.740 -1.587 461 HB THR 80 HB THR 80 -10.938 4.173 -1.280 462 HG1 THR 80 HG1 THR 80 -12.588 4.837 -3.449 463 HG21 THR 80 HG23 THR 80 -13.074 3.016 -1.792 464 HG22 THR 80 HG21 THR 80 -13.925 4.540 -1.536 465 HG23 THR 80 HG22 THR 80 -13.063 3.775 -0.199 466 H GLU 81 HN GLU 81 -13.182 7.033 0.934 467 HA GLU 81 HA GLU 81 -15.741 7.225 -0.030 468 HB2 GLU 81 HB2 GLU 81 -15.248 7.778 2.262 469 HB3 GLU 81 HB3 GLU 81 -14.242 9.134 1.779 470 HG2 GLU 81 HG2 GLU 81 -16.174 10.186 2.428 471 HG3 GLU 81 HG3 GLU 81 -16.401 10.038 0.689 472 H ASN 82 HN ASN 82 -13.420 9.901 -0.063 473 HA ASN 82 HA ASN 82 -14.960 11.582 -1.758 474 HB2 ASN 82 HB2 ASN 82 -13.370 12.420 -0.075 475 HB3 ASN 82 HB3 ASN 82 -12.039 11.689 -0.964 476 HD21 ASN 82 HD21 ASN 82 -11.225 12.731 -2.764 477 HD22 ASN 82 HD22 ASN 82 -11.689 14.335 -3.205 478 H PHE 83 HN PHE 83 -12.911 8.976 -2.322 479 HA PHE 83 HA PHE 83 -11.772 9.872 -4.829 480 HD1 PHE 83 HD2 PHE 83 -11.568 6.014 -5.669 481 HD2 PHE 83 HD1 PHE 83 -8.742 9.035 -4.664 482 HE1 PHE 83 HE2 PHE 83 -10.131 5.286 -7.528 483 HE2 PHE 83 HE1 PHE 83 -7.302 8.310 -6.520 484 HZ PHE 83 HZ PHE 83 -7.997 6.435 -7.957 485 HB2 PHE 83 HB2 PHE 83 -10.514 8.488 -3.156 486 HB3 PHE 83 HB3 PHE 83 -11.622 7.159 -3.484 487 H GLU 84 HN GLU 84 -14.241 7.690 -3.658 488 HA GLU 84 HA GLU 84 -14.801 6.466 -6.194 489 HB2 GLU 84 HB2 GLU 84 -16.313 6.506 -3.581 490 HB3 GLU 84 HB3 GLU 84 -16.818 5.586 -4.990 491 HG2 GLU 84 HG2 GLU 84 -14.301 5.209 -3.396 492 HG3 GLU 84 HG3 GLU 84 -15.709 4.150 -3.433 493 H ASP 85 HN ASP 85 -15.980 9.122 -4.344 494 HA ASP 85 HA ASP 85 -18.440 9.472 -5.767 495 HB2 ASP 85 HB2 ASP 85 -18.174 10.073 -3.388 496 HB3 ASP 85 HB3 ASP 85 -17.005 11.310 -3.841 497 H VAL 86 HN VAL 86 -15.473 11.396 -5.461 498 HA VAL 86 HA VAL 86 -16.263 13.131 -7.650 499 HB VAL 86 HB VAL 86 -13.751 13.184 -5.973 500 HG11 VAL 86 HG11 VAL 86 -13.524 15.489 -6.755 501 HG12 VAL 86 HG12 VAL 86 -13.483 14.343 -8.094 502 HG13 VAL 86 HG13 VAL 86 -14.942 15.280 -7.779 503 HG21 VAL 86 HG23 VAL 86 -16.281 14.789 -5.665 504 HG22 VAL 86 HG21 VAL 86 -15.753 13.484 -4.601 505 HG23 VAL 86 HG22 VAL 86 -14.813 14.971 -4.708 506 H GLY 87 HN GLY 87 -13.796 10.714 -6.932 507 HA2 GLY 87 HA1 GLY 87 -12.860 9.214 -8.424 508 HA3 GLY 87 HA2 GLY 87 -13.590 10.104 -9.742 509 H HIS 88 HN HIS 88 -11.987 12.395 -8.019 510 HA HIS 88 HA HIS 88 -10.137 13.651 -8.476 511 HD1 HIS 88 HD1 HIS 88 -9.352 10.483 -6.204 512 HD2 HIS 88 HD2 HIS 88 -7.058 13.814 -7.201 513 HE1 HIS 88 HE1 HIS 88 -8.112 11.163 -4.087 514 HB2 HIS 88 HB2 HIS 88 -9.057 10.866 -8.762 515 HB3 HIS 88 HB3 HIS 88 -8.059 12.220 -9.264 516 H SER 89 HN SER 89 -8.116 12.982 -10.527 517 HA SER 89 HA SER 89 -9.657 12.577 -12.958 518 HG SER 89 HG SER 89 -6.871 15.276 -12.741 519 HB2 SER 89 HB2 SER 89 -8.301 14.452 -14.061 520 HB3 SER 89 HB3 SER 89 -9.608 14.943 -12.986 521 H THR 90 HN THR 90 -7.800 12.617 -14.854 522 HA THR 90 HA THR 90 -6.564 10.177 -14.644 523 HB THR 90 HB THR 90 -5.552 12.481 -16.321 524 HG1 THR 90 HG1 THR 90 -7.483 12.354 -17.175 525 HG21 THR 90 HG23 THR 90 -5.409 9.491 -16.728 526 HG22 THR 90 HG21 THR 90 -4.061 10.549 -16.312 527 HG23 THR 90 HG22 THR 90 -4.856 10.711 -17.879 528 H ASP 91 HN ASP 91 -5.252 13.328 -13.840 529 HA ASP 91 HA ASP 91 -2.554 12.897 -13.688 530 HB2 ASP 91 HB2 ASP 91 -3.994 14.494 -11.582 531 HB3 ASP 91 HB3 ASP 91 -2.463 14.848 -12.386 532 H ALA 92 HN ALA 92 -4.960 12.173 -11.204 533 HA ALA 92 HA ALA 92 -3.001 11.608 -9.181 534 HB1 ALA 92 HB3 ALA 92 -5.100 12.684 -8.624 535 HB2 ALA 92 HB1 ALA 92 -5.987 11.264 -9.176 536 HB3 ALA 92 HB2 ALA 92 -4.936 11.152 -7.763 537 H ARG 93 HN ARG 93 -4.545 9.766 -11.597 538 HA ARG 93 HA ARG 93 -4.473 7.219 -10.254 539 HE ARG 93 HE ARG 93 -3.324 6.537 -15.891 540 HB2 ARG 93 HB2 ARG 93 -5.471 6.411 -12.151 541 HB3 ARG 93 HB3 ARG 93 -5.772 8.121 -12.460 542 HG2 ARG 93 HG2 ARG 93 -3.661 8.184 -13.778 543 HG3 ARG 93 HG3 ARG 93 -3.521 6.448 -13.562 544 HD2 ARG 93 HD2 ARG 93 -5.732 6.204 -14.695 545 HD3 ARG 93 HD3 ARG 93 -5.688 7.935 -15.033 546 HH11 ARG 93 HH12 ARG 93 -6.568 7.518 -16.813 547 HH12 ARG 93 HH11 ARG 93 -6.250 7.399 -18.515 548 HH21 ARG 93 HH22 ARG 93 -2.902 6.390 -18.102 549 HH22 ARG 93 HH21 ARG 93 -4.134 6.801 -19.257 550 H GLU 94 HN GLU 94 -2.232 9.242 -11.792 551 HA GLU 94 HA GLU 94 -0.604 7.027 -12.828 552 HB2 GLU 94 HB2 GLU 94 -1.660 8.837 -14.340 553 HB3 GLU 94 HB3 GLU 94 -0.443 9.915 -13.677 554 HG2 GLU 94 HG2 GLU 94 0.280 9.053 -15.800 555 HG3 GLU 94 HG3 GLU 94 1.311 8.424 -14.516 556 H MET 95 HN MET 95 -0.676 9.879 -10.900 557 HA MET 95 HA MET 95 2.174 10.077 -10.535 558 HB2 MET 95 HB2 MET 95 0.748 12.070 -10.617 559 HB3 MET 95 HB3 MET 95 -0.141 11.508 -9.210 560 HG2 MET 95 HG2 MET 95 1.875 11.703 -7.854 561 HG3 MET 95 HG3 MET 95 2.778 12.244 -9.265 562 HE1 MET 95 HE3 MET 95 2.257 14.490 -10.566 563 HE2 MET 95 HE1 MET 95 0.544 14.098 -10.689 564 HE3 MET 95 HE2 MET 95 1.046 15.668 -10.060 565 H SER 96 HN SER 96 -0.481 8.513 -8.989 566 HA SER 96 HA SER 96 0.503 8.737 -6.325 567 HG SER 96 HG SER 96 -2.696 7.492 -8.118 568 HB2 SER 96 HB2 SER 96 -1.429 7.239 -5.786 569 HB3 SER 96 HB3 SER 96 -1.855 8.712 -6.658 570 H LYS 97 HN LYS 97 1.417 6.842 -8.819 571 HA LYS 97 HA LYS 97 1.228 4.205 -7.930 572 HB2 LYS 97 HB2 LYS 97 2.963 5.508 -10.015 573 HB3 LYS 97 HB3 LYS 97 2.909 3.765 -9.767 574 HG2 LYS 97 HG2 LYS 97 0.530 3.751 -10.249 575 HG3 LYS 97 HG3 LYS 97 0.546 5.503 -10.449 576 HD2 LYS 97 HD2 LYS 97 1.953 5.320 -12.387 577 HD3 LYS 97 HD3 LYS 97 2.164 3.585 -12.131 578 HE2 LYS 97 HE2 LYS 97 -0.245 3.260 -12.482 579 HE3 LYS 97 HE3 LYS 97 -0.433 4.989 -12.764 580 HZ1 LYS 97 HZ3 LYS 97 0.871 4.844 -14.730 581 HZ2 LYS 97 HZ1 LYS 97 -0.302 3.623 -14.813 582 HZ3 LYS 97 HZ2 LYS 97 1.299 3.235 -14.415 583 H THR 98 HN THR 98 3.712 6.588 -7.421 584 HA THR 98 HA THR 98 5.522 4.622 -6.260 585 HB THR 98 HB THR 98 6.555 7.207 -5.872 586 HG1 THR 98 HG1 THR 98 6.015 8.332 -7.601 587 HG21 THR 98 HG23 THR 98 8.184 6.508 -7.575 588 HG22 THR 98 HG21 THR 98 7.130 5.168 -8.028 589 HG23 THR 98 HG22 THR 98 7.852 5.219 -6.419 590 H PHE 99 HN PHE 99 2.900 6.219 -5.203 591 HA PHE 99 HA PHE 99 3.892 6.908 -2.548 592 HD1 PHE 99 HD2 PHE 99 2.198 8.545 -5.565 593 HD2 PHE 99 HD1 PHE 99 2.421 9.358 -1.409 594 HE1 PHE 99 HE2 PHE 99 2.794 10.881 -6.066 595 HE2 PHE 99 HE1 PHE 99 3.007 11.698 -1.890 596 HZ PHE 99 HZ PHE 99 3.196 12.464 -4.217 597 HB2 PHE 99 HB2 PHE 99 1.190 7.060 -3.886 598 HB3 PHE 99 HB3 PHE 99 1.412 7.386 -2.168 599 H ILE 100 HN ILE 100 2.711 4.291 -4.280 600 HA ILE 100 HA ILE 100 1.285 2.945 -2.205 601 HB ILE 100 HB ILE 100 2.378 1.824 -4.792 602 HG12 ILE 100 HG12 ILE 100 -0.401 2.878 -4.231 603 HG13 ILE 100 HG13 ILE 100 0.845 3.780 -5.087 604 HG21 ILE 100 HG21 ILE 100 0.238 0.809 -2.925 605 HG22 ILE 100 HG22 ILE 100 0.621 0.118 -4.501 606 HG23 ILE 100 HG23 ILE 100 1.822 0.085 -3.212 607 HD11 ILE 100 HD13 ILE 100 -0.755 2.746 -6.612 608 HD12 ILE 100 HD11 ILE 100 0.877 2.109 -6.842 609 HD13 ILE 100 HD12 ILE 100 -0.329 1.156 -5.973 610 H ILE 101 HN ILE 101 2.478 2.257 -0.441 611 HA ILE 101 HA ILE 101 5.216 1.384 -0.825 612 HB ILE 101 HB ILE 101 5.171 0.989 1.678 613 HG12 ILE 101 HG12 ILE 101 2.536 2.459 1.408 614 HG13 ILE 101 HG13 ILE 101 2.743 0.788 1.935 615 HG21 ILE 101 HG21 ILE 101 5.356 3.392 2.177 616 HG22 ILE 101 HG22 ILE 101 6.189 2.943 0.685 617 HG23 ILE 101 HG23 ILE 101 4.624 3.757 0.610 618 HD11 ILE 101 HD13 ILE 101 2.355 2.334 3.795 619 HD12 ILE 101 HD11 ILE 101 3.921 1.534 3.907 620 HD13 ILE 101 HD12 ILE 101 3.825 3.209 3.362 621 H GLY 102 HN GLY 102 2.086 -0.072 -0.321 622 HA2 GLY 102 HA1 GLY 102 2.926 -2.546 -1.295 623 HA3 GLY 102 HA2 GLY 102 3.001 -2.633 0.461 624 H GLU 103 HN GLU 103 1.396 -4.327 0.179 625 HA GLU 103 HA GLU 103 -1.309 -3.327 -0.414 626 HB2 GLU 103 HB2 GLU 103 -0.285 -6.144 -0.089 627 HB3 GLU 103 HB3 GLU 103 -1.959 -5.723 -0.402 628 HG2 GLU 103 HG2 GLU 103 0.162 -4.842 -2.297 629 HG3 GLU 103 HG3 GLU 103 -0.388 -6.513 -2.314 630 H LEU 104 HN LEU 104 -2.934 -4.764 1.018 631 HA LEU 104 HA LEU 104 -2.223 -4.229 3.789 632 HG LEU 104 HG LEU 104 -4.994 -5.664 4.822 633 HB2 LEU 104 HB2 LEU 104 -4.346 -3.375 2.958 634 HB3 LEU 104 HB3 LEU 104 -4.830 -4.988 2.487 635 HD11 LEU 104 HD11 LEU 104 -3.192 -4.342 5.759 636 HD12 LEU 104 HD12 LEU 104 -4.088 -2.856 5.447 637 HD13 LEU 104 HD13 LEU 104 -4.693 -4.022 6.622 638 HD21 LEU 104 HD23 LEU 104 -6.833 -4.176 5.516 639 HD22 LEU 104 HD21 LEU 104 -6.375 -3.044 4.243 640 HD23 LEU 104 HD22 LEU 104 -6.955 -4.656 3.823 641 H HIS 105 HN HIS 105 -2.325 -5.795 5.398 642 HA HIS 105 HA HIS 105 -1.198 -8.277 4.889 643 HD1 HIS 105 HD1 HIS 105 -2.966 -9.798 8.565 644 HD2 HIS 105 HD2 HIS 105 0.796 -8.881 7.025 645 HE1 HIS 105 HE1 HIS 105 -1.399 -11.526 9.506 646 HE2 HIS 105 HE2 HIS 105 0.894 -10.746 8.818 647 HB2 HIS 105 HB2 HIS 105 -1.423 -6.905 7.066 648 HB3 HIS 105 HB3 HIS 105 -2.981 -7.689 7.254 649 HA PRO 106 HA PRO 106 -4.383 -11.261 3.668 650 HB2 PRO 106 HB2 PRO 106 -3.432 -12.691 6.129 651 HB3 PRO 106 HB3 PRO 106 -3.748 -13.334 4.511 652 HG2 PRO 106 HG2 PRO 106 -1.266 -12.869 5.282 653 HG3 PRO 106 HG3 PRO 106 -1.783 -12.445 3.639 654 HD2 PRO 106 HD2 PRO 106 -1.273 -10.680 5.983 655 HD3 PRO 106 HD3 PRO 106 -1.018 -10.370 4.252 656 H ASP 107 HN ASP 107 -4.568 -9.415 6.364 657 HA ASP 107 HA ASP 107 -6.795 -10.412 7.786 658 HB2 ASP 107 HB2 ASP 107 -6.139 -7.490 7.324 659 HB3 ASP 107 HB3 ASP 107 -6.964 -8.200 8.707 660 H ASP 108 HN ASP 108 -6.238 -8.789 4.830 661 HA ASP 108 HA ASP 108 -9.116 -8.651 4.262 662 HB2 ASP 108 HB2 ASP 108 -8.477 -6.410 4.480 663 HB3 ASP 108 HB3 ASP 108 -6.911 -6.695 3.728 664 H ARG 109 HN ARG 109 -6.037 -9.807 3.308 665 HA ARG 109 HA ARG 109 -6.218 -9.378 0.556 666 HE ARG 109 HE ARG 109 -2.884 -7.762 -1.452 667 HB2 ARG 109 HB2 ARG 109 -4.169 -10.054 2.116 668 HB3 ARG 109 HB3 ARG 109 -4.560 -11.657 1.506 669 HG2 ARG 109 HG2 ARG 109 -2.816 -10.220 0.239 670 HG3 ARG 109 HG3 ARG 109 -4.052 -11.081 -0.696 671 HD2 ARG 109 HD2 ARG 109 -5.355 -9.104 -0.928 672 HD3 ARG 109 HD3 ARG 109 -4.355 -8.237 0.235 673 HH11 ARG 109 HH12 ARG 109 -5.021 -10.324 -2.556 674 HH12 ARG 109 HH11 ARG 109 -4.508 -10.197 -4.210 675 HH21 ARG 109 HH22 ARG 109 -2.278 -7.569 -3.641 676 HH22 ARG 109 HH21 ARG 109 -2.940 -8.662 -4.815 677 HA PRO 110 HA PRO 110 -8.198 -13.601 -0.004 678 HB2 PRO 110 HB2 PRO 110 -8.684 -15.100 2.325 679 HB3 PRO 110 HB3 PRO 110 -7.415 -15.382 1.137 680 HG2 PRO 110 HG2 PRO 110 -7.071 -14.555 3.808 681 HG3 PRO 110 HG3 PRO 110 -5.832 -14.606 2.548 682 HD2 PRO 110 HD2 PRO 110 -7.388 -12.300 3.575 683 HD3 PRO 110 HD3 PRO 110 -5.756 -12.345 2.880 684 H LYS 111 HN LYS 111 -9.099 -11.986 2.990 685 HA LYS 111 HA LYS 111 -11.052 -11.281 3.883 686 HB2 LYS 111 HB2 LYS 111 -11.896 -11.558 1.013 687 HB3 LYS 111 HB3 LYS 111 -13.072 -11.131 2.251 688 HG2 LYS 111 HG2 LYS 111 -11.534 -9.230 2.879 689 HG3 LYS 111 HG3 LYS 111 -10.627 -9.595 1.412 690 HD2 LYS 111 HD2 LYS 111 -12.629 -9.220 0.072 691 HD3 LYS 111 HD3 LYS 111 -13.562 -8.895 1.529 692 HE2 LYS 111 HE2 LYS 111 -11.981 -6.998 2.004 693 HE3 LYS 111 HE3 LYS 111 -11.288 -7.269 0.410 694 HZ1 LYS 111 HZ3 LYS 111 -14.001 -6.316 1.102 695 HZ2 LYS 111 HZ1 LYS 111 -13.672 -6.980 -0.424 696 HZ3 LYS 111 HZ2 LYS 111 -12.853 -5.596 0.094 697 H LEU 112 HN LEU 112 -12.027 -13.862 1.640 698 HA LEU 112 HA LEU 112 -13.267 -15.225 3.918 699 HG LEU 112 HG LEU 112 -13.733 -15.504 0.174 700 HB2 LEU 112 HB2 LEU 112 -14.991 -16.126 2.364 701 HB3 LEU 112 HB3 LEU 112 -15.089 -14.398 2.627 702 HD11 LEU 112 HD11 LEU 112 -15.948 -16.531 0.260 703 HD12 LEU 112 HD12 LEU 112 -16.678 -14.945 0.508 704 HD13 LEU 112 HD13 LEU 112 -15.863 -15.312 -1.012 705 HD21 LEU 112 HD23 LEU 112 -13.365 -13.176 0.434 706 HD22 LEU 112 HD21 LEU 112 -14.655 -13.332 -0.752 707 HD23 LEU 112 HD22 LEU 112 -15.039 -12.889 0.912 708 H ASN 113 HN ASN 113 -13.056 -16.463 0.607 709 HA ASN 113 HA ASN 113 -11.080 -18.429 1.567 710 HB2 ASN 113 HB2 ASN 113 -13.073 -18.800 -0.680 711 HB3 ASN 113 HB3 ASN 113 -11.949 -20.011 -0.070 712 HD21 ASN 113 HD21 ASN 113 -12.377 -21.023 1.895 713 HD22 ASN 113 HD22 ASN 113 -13.940 -20.945 2.642 714 H LYS 114 HN LYS 114 -11.319 -15.738 -0.067 715 HA LYS 114 HA LYS 114 -10.174 -14.600 -1.618 716 HB2 LYS 114 HB2 LYS 114 -8.197 -15.734 -0.575 717 HB3 LYS 114 HB3 LYS 114 -8.320 -16.975 -1.815 718 HG2 LYS 114 HG2 LYS 114 -7.877 -15.364 -3.546 719 HG3 LYS 114 HG3 LYS 114 -7.924 -14.045 -2.380 720 HD2 LYS 114 HD2 LYS 114 -5.664 -14.339 -2.588 721 HD3 LYS 114 HD3 LYS 114 -5.996 -15.402 -1.223 722 HE2 LYS 114 HE2 LYS 114 -5.787 -16.295 -4.105 723 HE3 LYS 114 HE3 LYS 114 -4.486 -16.399 -2.923 724 HZ1 LYS 114 HZ3 LYS 114 -7.107 -17.755 -2.611 725 HZ2 LYS 114 HZ1 LYS 114 -5.726 -17.963 -1.652 726 HZ3 LYS 114 HZ2 LYS 114 -5.731 -18.493 -3.262 727 HA PRO 115 HA PRO 115 -12.718 -15.796 -5.045 728 HB2 PRO 115 HB2 PRO 115 -10.899 -13.802 -6.339 729 HB3 PRO 115 HB3 PRO 115 -12.657 -13.946 -6.435 730 HG2 PRO 115 HG2 PRO 115 -11.524 -12.113 -4.870 731 HG3 PRO 115 HG3 PRO 115 -12.971 -12.990 -4.343 732 HD2 PRO 115 HD2 PRO 115 -10.155 -13.282 -3.453 733 HD3 PRO 115 HD3 PRO 115 -11.658 -13.557 -2.552 734 HA PRO 116 HA PRO 116 -9.678 -18.702 -6.667 735 HB2 PRO 116 HB2 PRO 116 -11.989 -20.227 -7.568 736 HB3 PRO 116 HB3 PRO 116 -10.806 -20.638 -6.325 737 HG2 PRO 116 HG2 PRO 116 -13.388 -20.043 -5.751 738 HG3 PRO 116 HG3 PRO 116 -12.052 -19.688 -4.643 739 HD2 PRO 116 HD2 PRO 116 -13.473 -17.851 -6.536 740 HD3 PRO 116 HD3 PRO 116 -12.976 -17.564 -4.854 741 H GLU 117 HN GLU 117 -12.642 -17.893 -8.459 742 HA GLU 117 HA GLU 117 -11.081 -17.940 -10.951 743 HB2 GLU 117 HB2 GLU 117 -13.813 -19.147 -10.472 744 HB3 GLU 117 HB3 GLU 117 -13.095 -18.934 -12.063 745 HG2 GLU 117 HG2 GLU 117 -11.314 -20.448 -11.527 746 HG3 GLU 117 HG3 GLU 117 -11.864 -20.569 -9.860 747 H THR 118 HN THR 118 -11.006 -15.655 -10.553 748 HA THR 118 HA THR 118 -11.610 -13.530 -11.056 749 HB THR 118 HB THR 118 -14.212 -14.576 -12.200 750 HG1 THR 118 HG1 THR 118 -12.618 -15.751 -13.233 751 HG21 THR 118 HG23 THR 118 -12.484 -12.177 -12.833 752 HG22 THR 118 HG21 THR 118 -14.048 -12.155 -12.021 753 HG23 THR 118 HG22 THR 118 -13.939 -12.639 -13.715 754 H LEU 119 HN LEU 119 -13.219 -11.831 -10.402 755 HA LEU 119 HA LEU 119 -13.891 -12.122 -7.706 756 HG LEU 119 HG LEU 119 -13.447 -8.508 -8.323 757 HB2 LEU 119 HB2 LEU 119 -14.729 -10.093 -9.766 758 HB3 LEU 119 HB3 LEU 119 -15.276 -10.007 -8.105 759 HD11 LEU 119 HD11 LEU 119 -11.885 -9.377 -6.692 760 HD12 LEU 119 HD12 LEU 119 -13.537 -9.833 -6.269 761 HD13 LEU 119 HD13 LEU 119 -12.452 -11.019 -6.996 762 HD21 LEU 119 HD23 LEU 119 -12.470 -9.528 -10.373 763 HD22 LEU 119 HD21 LEU 119 -11.273 -9.089 -9.155 764 HD23 LEU 119 HD22 LEU 119 -11.751 -10.777 -9.356 765 H ILE 120 HN ILE 120 -16.326 -11.371 -10.189 766 HA ILE 120 HA ILE 120 -18.012 -13.486 -9.037 767 HB ILE 120 HB ILE 120 -19.062 -10.800 -9.988 768 HG12 ILE 120 HG12 ILE 120 -17.850 -10.661 -7.809 769 HG13 ILE 120 HG13 ILE 120 -19.571 -10.320 -7.662 770 HG21 ILE 120 HG21 ILE 120 -20.626 -12.628 -10.369 771 HG22 ILE 120 HG22 ILE 120 -20.463 -13.139 -8.690 772 HG23 ILE 120 HG23 ILE 120 -21.205 -11.585 -9.070 773 HD11 ILE 120 HD13 ILE 120 -18.223 -12.921 -6.970 774 HD12 ILE 120 HD11 ILE 120 -18.777 -11.698 -5.825 775 HD13 ILE 120 HD12 ILE 120 -19.946 -12.576 -6.814 776 H THR 121 HN THR 121 -19.204 -11.446 -11.562 777 HA THR 121 HA THR 121 -20.142 -12.047 -13.548 778 HB THR 121 HB THR 121 -17.828 -11.196 -14.038 779 HG1 THR 121 HG1 THR 121 -19.583 -12.405 -15.661 780 HG21 THR 121 HG23 THR 121 -17.209 -14.115 -14.492 781 HG22 THR 121 HG21 THR 121 -16.514 -13.090 -13.237 782 HG23 THR 121 HG22 THR 121 -16.169 -12.761 -14.935 783 H THR 122 HN THR 122 -20.525 -14.119 -11.697 784 HA THR 122 HA THR 122 -19.905 -16.633 -12.962 785 HB THR 122 HB THR 122 -21.268 -17.593 -11.092 786 HG1 THR 122 HG1 THR 122 -22.372 -15.322 -10.955 787 HG21 THR 122 HG23 THR 122 -18.844 -17.284 -10.873 788 HG22 THR 122 HG21 THR 122 -19.660 -17.034 -9.333 789 HG23 THR 122 HG22 THR 122 -19.106 -15.650 -10.269 790 H ILE 123 HN ILE 123 -21.107 -17.672 -14.363 791 HA ILE 123 HA ILE 123 -22.724 -18.084 -15.889 792 HB ILE 123 HB ILE 123 -23.381 -19.484 -13.994 793 HG12 ILE 123 HG12 ILE 123 -25.715 -18.355 -15.550 794 HG13 ILE 123 HG13 ILE 123 -24.628 -19.628 -16.087 795 HG21 ILE 123 HG21 ILE 123 -23.869 -17.812 -12.312 796 HG22 ILE 123 HG22 ILE 123 -25.258 -17.250 -13.242 797 HG23 ILE 123 HG23 ILE 123 -25.261 -18.872 -12.544 798 HD11 ILE 123 HD13 ILE 123 -26.591 -19.765 -13.814 799 HD12 ILE 123 HD11 ILE 123 -26.689 -20.602 -15.362 800 HD13 ILE 123 HD12 ILE 123 -25.429 -21.031 -14.208 801 H ASP 124 HN ASP 124 -22.370 -15.766 -16.544 802 HA ASP 124 HA ASP 124 -24.594 -13.976 -16.130 803 HB2 ASP 124 HB2 ASP 124 -22.000 -13.846 -17.608 804 HB3 ASP 124 HB3 ASP 124 -23.281 -12.723 -18.051 805 H SER 125 HN SER 125 -26.195 -15.511 -16.924 806 HA SER 125 HA SER 125 -27.769 -16.105 -18.436 807 HG SER 125 HG SER 125 -27.026 -12.832 -19.144 808 HB2 SER 125 HB2 SER 125 -26.250 -14.343 -20.379 809 HB3 SER 125 HB3 SER 125 -27.879 -14.977 -20.612 810 H SER 126 HN SER 126 -24.894 -15.879 -20.556 811 HA SER 126 HA SER 126 -25.385 -18.700 -21.251 812 HG SER 126 HG SER 126 -26.776 -17.767 -22.922 813 HB2 SER 126 HB2 SER 126 -24.243 -16.490 -22.982 814 HB3 SER 126 HB3 SER 126 -24.503 -18.161 -23.489 815 H SER 127 HN SER 127 -23.008 -18.963 -22.815 816 HA SER 127 HA SER 127 -21.132 -19.809 -20.970 817 HG SER 127 HG SER 127 -20.940 -21.436 -23.756 818 HB2 SER 127 HB2 SER 127 -20.490 -18.854 -23.767 819 HB3 SER 127 HB3 SER 127 -19.640 -20.081 -22.823 820 H SER 128 HN SER 128 -19.180 -18.978 -20.241 821 HA SER 128 HA SER 128 -19.293 -16.227 -19.537 822 HG SER 128 HG SER 128 -16.719 -18.523 -20.014 823 HB2 SER 128 HB2 SER 128 -17.132 -16.777 -18.362 824 HB3 SER 128 HB3 SER 128 -18.486 -17.821 -17.933 825 HHA HEM 129 HHA HEM 129 -6.127 17.576 -6.313 826 HHB HEM 129 HHB HEM 129 -2.356 12.349 -6.439 827 HHC HEM 129 HHC HEM 129 -5.453 9.999 -1.382 828 HHD HEM 129 HHD HEM 129 -9.444 15.084 -1.383 829 HAB HEM 129 HAB HEM 129 -2.372 9.252 -1.436 830 HAC HEM 129 HAC HEM 129 -10.200 13.667 0.222 831 HMA1 HEM 129 HMA1 HEM 129 -2.198 15.287 -8.979 832 HMA2 HEM 129 HMA2 HEM 129 -1.330 14.487 -7.663 833 HMA3 HEM 129 HMA3 HEM 129 -2.398 13.557 -8.725 834 HAA1 HEM 129 HAA1 HEM 129 -3.845 17.796 -8.189 835 HAA2 HEM 129 HAA2 HEM 129 -3.596 16.509 -8.903 836 HBA1 HEM 129 HBA1 HEM 129 -4.564 16.514 -10.444 837 HBA2 HEM 129 HBA2 HEM 129 -5.816 17.621 -9.846 838 HMB1 HEM 129 HMB1 HEM 129 -0.413 11.003 -4.195 839 HMB2 HEM 129 HMB2 HEM 129 -1.210 9.810 -5.413 840 HMB3 HEM 129 HMB3 HEM 129 -1.203 9.775 -3.887 841 HBB1 HEM 129 HBB1 HEM 129 -4.063 7.793 -3.512 842 HBB2 HEM 129 HBB2 HEM 129 -3.119 7.071 -2.065 843 HMC1 HEM 129 HMC1 HEM 129 -7.125 9.474 -0.272 844 HMC2 HEM 129 HMC2 HEM 129 -7.259 10.440 1.201 845 HMC3 HEM 129 HMC3 HEM 129 -8.713 9.988 0.244 846 HBC1 HEM 129 HBC1 HEM 129 -10.280 12.720 2.391 847 HBC2 HEM 129 HBC2 HEM 129 -8.701 11.792 2.114 848 HMD1 HEM 129 HMD1 HEM 129 -10.295 17.047 -1.682 849 HMD2 HEM 129 HMD2 HEM 129 -10.339 18.453 -2.917 850 HMD3 HEM 129 HMD3 HEM 129 -9.206 18.055 -1.997 851 HAD1 HEM 129 HAD1 HEM 129 -8.667 18.622 -6.157 852 HAD2 HEM 129 HAD2 HEM 129 -9.360 18.631 -4.812 853 HBD1 HEM 129 HBD1 HEM 129 -7.922 20.803 -5.245 854 HBD2 HEM 129 HBD2 HEM 129 -7.518 20.078 -3.681 Start of MODEL 2 1 HA MET 21 HA MET 21 -8.716 -8.621 -11.789 2 H1 MET 21 1H MET 21 -6.653 -10.074 -10.384 3 HB2 MET 21 HB2 MET 21 -9.520 -8.354 -9.516 4 HB3 MET 21 HB3 MET 21 -7.926 -7.852 -8.970 5 HG2 MET 21 HG2 MET 21 -9.357 -5.935 -9.140 6 HG3 MET 21 HG3 MET 21 -8.104 -5.839 -10.379 7 HE1 MET 21 HE3 MET 21 -10.832 -4.125 -10.279 8 HE2 MET 21 HE1 MET 21 -9.627 -3.903 -11.547 9 HE3 MET 21 HE2 MET 21 -11.320 -4.153 -11.974 10 H ALA 22 HN ALA 22 -6.114 -7.629 -9.626 11 HA ALA 22 HA ALA 22 -4.188 -7.114 -11.652 12 HB1 ALA 22 HB3 ALA 22 -5.546 -4.704 -10.422 13 HB2 ALA 22 HB1 ALA 22 -4.134 -4.672 -11.476 14 HB3 ALA 22 HB2 ALA 22 -5.690 -5.217 -12.105 15 H GLU 23 HN GLU 23 -2.236 -7.203 -10.681 16 HA GLU 23 HA GLU 23 -2.162 -6.969 -7.756 17 HB2 GLU 23 HB2 GLU 23 0.315 -7.918 -8.536 18 HB3 GLU 23 HB3 GLU 23 -1.027 -8.884 -7.940 19 HG2 GLU 23 HG2 GLU 23 -0.078 -9.821 -9.982 20 HG3 GLU 23 HG3 GLU 23 -1.754 -9.319 -10.221 21 H GLN 24 HN GLN 24 0.639 -6.611 -9.776 22 HA GLN 24 HA GLN 24 0.743 -3.742 -9.789 23 HB2 GLN 24 HB2 GLN 24 2.601 -5.307 -7.963 24 HB3 GLN 24 HB3 GLN 24 3.000 -3.712 -8.573 25 HG2 GLN 24 HG2 GLN 24 0.592 -4.332 -6.883 26 HG3 GLN 24 HG3 GLN 24 2.131 -3.737 -6.261 27 HE21 GLN 24 HE21 GLN 24 1.346 -1.847 -5.475 28 HE22 GLN 24 HE22 GLN 24 0.765 -0.565 -6.479 29 H SER 25 HN SER 25 3.277 -6.114 -9.473 30 HA SER 25 HA SER 25 3.427 -6.601 -12.321 31 HG SER 25 HG SER 25 3.900 -4.289 -12.159 32 HB2 SER 25 HB2 SER 25 5.803 -5.564 -10.731 33 HB3 SER 25 HB3 SER 25 5.836 -6.085 -12.420 34 H ASP 26 HN ASP 26 3.087 -7.640 -9.374 35 HA ASP 26 HA ASP 26 4.201 -10.232 -9.729 36 HB2 ASP 26 HB2 ASP 26 5.670 -10.205 -7.754 37 HB3 ASP 26 HB3 ASP 26 6.238 -9.089 -8.990 38 H GLU 27 HN GLU 27 3.426 -11.711 -8.107 39 HA GLU 27 HA GLU 27 0.748 -11.227 -7.525 40 HB2 GLU 27 HB2 GLU 27 1.659 -13.451 -7.868 41 HB3 GLU 27 HB3 GLU 27 2.625 -13.310 -6.405 42 HG2 GLU 27 HG2 GLU 27 0.817 -14.645 -5.808 43 HG3 GLU 27 HG3 GLU 27 0.424 -13.049 -5.170 44 H ALA 28 HN ALA 28 3.255 -11.858 -5.064 45 HA ALA 28 HA ALA 28 1.447 -10.782 -3.058 46 HB1 ALA 28 HB3 ALA 28 2.968 -11.760 -1.420 47 HB2 ALA 28 HB1 ALA 28 2.473 -12.950 -2.625 48 HB3 ALA 28 HB2 ALA 28 4.076 -12.214 -2.716 49 H VAL 29 HN VAL 29 1.562 -8.612 -3.353 50 HA VAL 29 HA VAL 29 3.926 -7.049 -3.288 51 HB VAL 29 HB VAL 29 1.101 -6.332 -2.450 52 HG11 VAL 29 HG11 VAL 29 1.738 -4.024 -2.908 53 HG12 VAL 29 HG12 VAL 29 2.732 -4.725 -1.632 54 HG13 VAL 29 HG13 VAL 29 3.387 -4.544 -3.257 55 HG21 VAL 29 HG23 VAL 29 1.131 -7.147 -4.726 56 HG22 VAL 29 HG21 VAL 29 0.882 -5.399 -4.715 57 HG23 VAL 29 HG22 VAL 29 2.464 -6.059 -5.124 58 H LYS 30 HN LYS 30 4.755 -5.813 -1.465 59 HA LYS 30 HA LYS 30 4.991 -7.153 0.953 60 HB2 LYS 30 HB2 LYS 30 5.211 -4.165 0.532 61 HB3 LYS 30 HB3 LYS 30 5.854 -5.063 1.897 62 HG2 LYS 30 HG2 LYS 30 7.382 -6.255 0.413 63 HG3 LYS 30 HG3 LYS 30 6.721 -5.374 -0.971 64 HD2 LYS 30 HD2 LYS 30 8.130 -4.142 1.403 65 HD3 LYS 30 HD3 LYS 30 8.831 -4.395 -0.200 66 HE2 LYS 30 HE2 LYS 30 7.108 -2.915 -1.159 67 HE3 LYS 30 HE3 LYS 30 6.468 -2.636 0.462 68 HZ1 LYS 30 HZ3 LYS 30 7.934 -0.845 -0.251 69 HZ2 LYS 30 HZ1 LYS 30 9.211 -1.948 -0.457 70 HZ3 LYS 30 HZ2 LYS 30 8.575 -1.653 1.091 71 H TYR 31 HN TYR 31 3.696 -7.394 2.675 72 HA TYR 31 HA TYR 31 1.191 -5.867 2.670 73 HD1 TYR 31 HD2 TYR 31 -0.034 -6.843 1.284 74 HD2 TYR 31 HD1 TYR 31 1.448 -10.473 2.941 75 HE1 TYR 31 HE2 TYR 31 -0.682 -8.039 -0.764 76 HE2 TYR 31 HE1 TYR 31 0.809 -11.674 0.901 77 HH TYR 31 HH TYR 31 -0.759 -11.423 -0.959 78 HB2 TYR 31 HB2 TYR 31 1.861 -8.473 4.046 79 HB3 TYR 31 HB3 TYR 31 0.298 -7.659 4.101 80 H TYR 32 HN TYR 32 0.373 -5.000 4.596 81 HA TYR 32 HA TYR 32 2.136 -5.123 6.949 82 HD1 TYR 32 HD2 TYR 32 3.669 -3.098 7.924 83 HD2 TYR 32 HD1 TYR 32 2.007 -2.134 4.130 84 HE1 TYR 32 HE2 TYR 32 5.875 -2.314 7.167 85 HE2 TYR 32 HE1 TYR 32 4.207 -1.354 3.359 86 HH TYR 32 HH TYR 32 7.075 -2.036 5.002 87 HB2 TYR 32 HB2 TYR 32 0.574 -2.753 5.904 88 HB3 TYR 32 HB3 TYR 32 1.187 -2.836 7.562 89 H THR 33 HN THR 33 0.272 -4.058 8.812 90 HA THR 33 HA THR 33 -1.925 -5.974 8.421 91 HB THR 33 HB THR 33 -2.115 -6.012 10.923 92 HG1 THR 33 HG1 THR 33 -0.275 -5.281 12.085 93 HG21 THR 33 HG23 THR 33 -1.041 -7.849 9.758 94 HG22 THR 33 HG21 THR 33 -0.177 -7.509 11.255 95 HG23 THR 33 HG22 THR 33 0.485 -6.964 9.716 96 H LEU 34 HN LEU 34 -3.988 -5.416 9.455 97 HA LEU 34 HA LEU 34 -5.067 -2.924 9.113 98 HG LEU 34 HG LEU 34 -6.717 -2.533 11.602 99 HB2 LEU 34 HB2 LEU 34 -6.310 -4.947 9.839 100 HB3 LEU 34 HB3 LEU 34 -5.597 -4.797 11.434 101 HD11 LEU 34 HD11 LEU 34 -7.115 -2.227 9.199 102 HD12 LEU 34 HD12 LEU 34 -8.248 -3.576 9.223 103 HD13 LEU 34 HD13 LEU 34 -8.605 -2.110 10.137 104 HD21 LEU 34 HD23 LEU 34 -7.538 -4.559 12.727 105 HD22 LEU 34 HD21 LEU 34 -8.851 -3.487 12.242 106 HD23 LEU 34 HD22 LEU 34 -8.507 -4.941 11.306 107 H GLU 35 HN GLU 35 -3.415 -4.249 11.844 108 HA GLU 35 HA GLU 35 -3.622 -2.381 13.825 109 HB2 GLU 35 HB2 GLU 35 -1.147 -3.995 13.181 110 HB3 GLU 35 HB3 GLU 35 -1.603 -3.355 14.752 111 HG2 GLU 35 HG2 GLU 35 -3.430 -4.888 14.923 112 HG3 GLU 35 HG3 GLU 35 -3.208 -5.420 13.261 113 H GLU 36 HN GLU 36 -1.300 -2.562 11.216 114 HA GLU 36 HA GLU 36 0.400 -0.511 12.240 115 HB2 GLU 36 HB2 GLU 36 0.292 -2.124 9.694 116 HB3 GLU 36 HB3 GLU 36 1.396 -0.767 9.838 117 HG2 GLU 36 HG2 GLU 36 1.351 -3.008 11.830 118 HG3 GLU 36 HG3 GLU 36 2.314 -3.068 10.358 119 H ILE 37 HN ILE 37 -2.089 -0.693 9.766 120 HA ILE 37 HA ILE 37 -1.558 1.952 8.769 121 HB ILE 37 HB ILE 37 -3.977 0.193 8.280 122 HG12 ILE 37 HG12 ILE 37 -1.384 0.463 6.727 123 HG13 ILE 37 HG13 ILE 37 -1.872 -0.938 7.678 124 HG21 ILE 37 HG21 ILE 37 -2.853 2.485 6.665 125 HG22 ILE 37 HG22 ILE 37 -4.276 1.522 6.266 126 HG23 ILE 37 HG23 ILE 37 -4.286 2.568 7.685 127 HD11 ILE 37 HD13 ILE 37 -2.195 -1.290 5.293 128 HD12 ILE 37 HD11 ILE 37 -3.727 -1.334 6.169 129 HD13 ILE 37 HD12 ILE 37 -3.282 0.095 5.230 130 H GLN 38 HN GLN 38 -3.506 0.516 11.207 131 HA GLN 38 HA GLN 38 -5.008 2.860 11.905 132 HB2 GLN 38 HB2 GLN 38 -4.310 0.252 13.225 133 HB3 GLN 38 HB3 GLN 38 -5.101 1.520 14.140 134 HG2 GLN 38 HG2 GLN 38 -6.176 0.341 11.592 135 HG3 GLN 38 HG3 GLN 38 -6.631 -0.200 13.206 136 HE21 GLN 38 HE21 GLN 38 -6.832 2.384 10.879 137 HE22 GLN 38 HE22 GLN 38 -8.141 3.220 11.632 138 H LYS 39 HN LYS 39 -1.877 1.602 12.469 139 HA LYS 39 HA LYS 39 -1.285 3.116 14.855 140 HB2 LYS 39 HB2 LYS 39 -0.548 0.742 14.203 141 HB3 LYS 39 HB3 LYS 39 0.594 1.522 13.125 142 HG2 LYS 39 HG2 LYS 39 1.828 2.415 14.890 143 HG3 LYS 39 HG3 LYS 39 0.545 2.095 16.063 144 HD2 LYS 39 HD2 LYS 39 1.051 -0.124 16.226 145 HD3 LYS 39 HD3 LYS 39 1.588 -0.229 14.547 146 HE2 LYS 39 HE2 LYS 39 3.481 -0.563 15.952 147 HE3 LYS 39 HE3 LYS 39 3.624 1.021 15.188 148 HZ1 LYS 39 HZ3 LYS 39 2.544 0.633 17.930 149 HZ2 LYS 39 HZ1 LYS 39 3.006 2.086 17.190 150 HZ3 LYS 39 HZ2 LYS 39 4.183 0.946 17.613 151 H HIS 40 HN HIS 40 -1.353 3.801 11.608 152 HA HIS 40 HA HIS 40 0.682 5.924 11.834 153 HD1 HIS 40 HD1 HIS 40 1.581 2.149 9.342 154 HD2 HIS 40 HD2 HIS 40 3.105 4.952 11.990 155 HE1 HIS 40 HE1 HIS 40 3.573 1.050 10.402 156 HE2 HIS 40 HE2 HIS 40 4.352 2.682 12.149 157 HB2 HIS 40 HB2 HIS 40 0.189 4.161 9.418 158 HB3 HIS 40 HB3 HIS 40 1.277 5.547 9.460 159 H ASN 41 HN ASN 41 -2.010 6.149 12.374 160 HA ASN 41 HA ASN 41 -3.356 7.250 10.016 161 HB2 ASN 41 HB2 ASN 41 -5.365 7.110 11.358 162 HB3 ASN 41 HB3 ASN 41 -4.496 5.587 11.488 163 HD21 ASN 41 HD21 ASN 41 -6.460 6.853 13.251 164 HD22 ASN 41 HD22 ASN 41 -5.715 6.921 14.809 165 H HIS 42 HN HIS 42 -1.155 8.746 11.334 166 HA HIS 42 HA HIS 42 -2.601 11.056 12.349 167 HD1 HIS 42 HD1 HIS 42 1.166 9.844 13.229 168 HD2 HIS 42 HD2 HIS 42 -1.510 7.478 15.348 169 HE1 HIS 42 HE1 HIS 42 2.431 7.751 13.801 170 HE2 HIS 42 HE2 HIS 42 0.742 6.269 14.937 171 HB2 HIS 42 HB2 HIS 42 -1.210 11.024 14.473 172 HB3 HIS 42 HB3 HIS 42 -2.479 9.809 14.359 173 H SER 43 HN SER 43 -0.552 12.385 13.598 174 HA SER 43 HA SER 43 0.649 13.733 11.495 175 HG SER 43 HG SER 43 1.102 14.052 15.476 176 HB2 SER 43 HB2 SER 43 2.080 14.732 13.344 177 HB3 SER 43 HB3 SER 43 0.331 14.834 13.579 178 H LYS 44 HN LYS 44 2.392 11.791 13.929 179 HA LYS 44 HA LYS 44 4.920 11.966 12.951 180 HB2 LYS 44 HB2 LYS 44 3.498 9.915 14.547 181 HB3 LYS 44 HB3 LYS 44 5.065 9.463 13.895 182 HG2 LYS 44 HG2 LYS 44 5.311 10.316 16.139 183 HG3 LYS 44 HG3 LYS 44 6.076 11.418 14.986 184 HD2 LYS 44 HD2 LYS 44 4.086 12.857 15.074 185 HD3 LYS 44 HD3 LYS 44 3.354 11.770 16.249 186 HE2 LYS 44 HE2 LYS 44 5.880 13.373 16.611 187 HE3 LYS 44 HE3 LYS 44 4.319 13.678 17.374 188 HZ1 LYS 44 HZ3 LYS 44 5.776 12.557 18.905 189 HZ2 LYS 44 HZ1 LYS 44 6.051 11.294 17.805 190 HZ3 LYS 44 HZ2 LYS 44 4.512 11.514 18.482 191 H SER 45 HN SER 45 2.471 9.724 11.793 192 HA SER 45 HA SER 45 3.848 9.535 9.292 193 HG SER 45 HG SER 45 4.390 7.345 8.256 194 HB2 SER 45 HB2 SER 45 4.912 7.655 10.495 195 HB3 SER 45 HB3 SER 45 3.323 6.995 10.872 196 H THR 46 HN THR 46 2.376 9.421 7.690 197 HA THR 46 HA THR 46 -0.411 9.044 8.549 198 HB THR 46 HB THR 46 0.473 10.893 6.328 199 HG1 THR 46 HG1 THR 46 0.358 11.286 9.110 200 HG21 THR 46 HG23 THR 46 -2.076 10.637 7.929 201 HG22 THR 46 HG21 THR 46 -1.855 10.223 6.229 202 HG23 THR 46 HG22 THR 46 -1.752 11.907 6.750 203 H TRP 47 HN TRP 47 -1.208 7.237 7.691 204 HA TRP 47 HA TRP 47 -0.507 6.585 4.902 205 HD1 TRP 47 HD1 TRP 47 1.605 6.541 6.067 206 HE1 TRP 47 HE1 TRP 47 3.798 5.267 6.452 207 HE3 TRP 47 HE3 TRP 47 -0.314 1.872 6.801 208 HZ2 TRP 47 HZ2 TRP 47 4.613 2.613 7.005 209 HZ3 TRP 47 HZ3 TRP 47 1.236 0.015 7.254 210 HH2 TRP 47 HH2 TRP 47 3.650 0.378 7.354 211 HB2 TRP 47 HB2 TRP 47 -1.246 4.723 7.170 212 HB3 TRP 47 HB3 TRP 47 -1.182 4.218 5.488 213 H LEU 48 HN LEU 48 -2.202 5.687 3.588 214 HA LEU 48 HA LEU 48 -4.845 5.548 4.782 215 HG LEU 48 HG LEU 48 -4.277 6.150 1.234 216 HB2 LEU 48 HB2 LEU 48 -5.986 6.790 3.123 217 HB3 LEU 48 HB3 LEU 48 -4.675 7.808 3.691 218 HD11 LEU 48 HD11 LEU 48 -5.151 7.989 -0.116 219 HD12 LEU 48 HD12 LEU 48 -6.410 7.274 0.894 220 HD13 LEU 48 HD13 LEU 48 -5.678 8.814 1.350 221 HD21 LEU 48 HD23 LEU 48 -2.828 8.033 0.637 222 HD22 LEU 48 HD21 LEU 48 -3.271 8.843 2.141 223 HD23 LEU 48 HD22 LEU 48 -2.372 7.327 2.186 224 H ILE 49 HN ILE 49 -6.355 4.763 2.741 225 HA ILE 49 HA ILE 49 -4.880 2.699 1.269 226 HB ILE 49 HB ILE 49 -7.322 2.247 2.982 227 HG12 ILE 49 HG12 ILE 49 -4.637 0.879 2.943 228 HG13 ILE 49 HG13 ILE 49 -5.113 2.124 4.092 229 HG21 ILE 49 HG21 ILE 49 -7.769 1.090 0.946 230 HG22 ILE 49 HG22 ILE 49 -6.131 0.440 0.895 231 HG23 ILE 49 HG23 ILE 49 -7.253 -0.096 2.147 232 HD11 ILE 49 HD13 ILE 49 -6.437 -0.558 3.788 233 HD12 ILE 49 HD11 ILE 49 -5.279 -0.115 5.042 234 HD13 ILE 49 HD12 ILE 49 -6.851 0.679 4.969 235 H LEU 50 HN LEU 50 -5.409 2.676 -0.790 236 HA LEU 50 HA LEU 50 -8.046 3.721 -1.589 237 HG LEU 50 HG LEU 50 -5.547 5.698 -1.577 238 HB2 LEU 50 HB2 LEU 50 -5.436 3.803 -3.109 239 HB3 LEU 50 HB3 LEU 50 -6.984 4.231 -3.795 240 HD11 LEU 50 HD11 LEU 50 -6.215 6.460 -4.414 241 HD12 LEU 50 HD12 LEU 50 -5.445 7.502 -3.223 242 HD13 LEU 50 HD13 LEU 50 -4.615 6.063 -3.795 243 HD21 LEU 50 HD23 LEU 50 -7.363 7.288 -1.638 244 HD22 LEU 50 HD21 LEU 50 -8.190 6.343 -2.880 245 HD23 LEU 50 HD22 LEU 50 -7.997 5.686 -1.253 246 H HIS 51 HN HIS 51 -9.058 1.724 -1.491 247 HA HIS 51 HA HIS 51 -9.810 -0.263 -2.293 248 HD1 HIS 51 HD1 HIS 51 -11.295 -0.700 -5.581 249 HD2 HIS 51 HD2 HIS 51 -9.601 2.911 -4.398 250 HE1 HIS 51 HE1 HIS 51 -12.879 1.088 -6.361 251 HE2 HIS 51 HE2 HIS 51 -11.965 3.231 -5.409 252 HB2 HIS 51 HB2 HIS 51 -8.000 0.402 -4.616 253 HB3 HIS 51 HB3 HIS 51 -9.036 -1.014 -4.573 254 H HIS 52 HN HIS 52 -8.320 -0.714 -0.323 255 HA HIS 52 HA HIS 52 -7.270 -2.443 0.711 256 HD1 HIS 52 HD1 HIS 52 -8.762 -4.933 -2.912 257 HD2 HIS 52 HD2 HIS 52 -9.229 -3.848 1.070 258 HE1 HIS 52 HE1 HIS 52 -11.080 -5.669 -2.283 259 HE2 HIS 52 HE2 HIS 52 -11.419 -4.793 0.057 260 HB2 HIS 52 HB2 HIS 52 -6.864 -3.538 -2.074 261 HB3 HIS 52 HB3 HIS 52 -6.444 -4.393 -0.590 262 H LYS 53 HN LYS 53 -5.554 -0.891 -1.966 263 HA LYS 53 HA LYS 53 -2.980 -1.662 -0.935 264 HB2 LYS 53 HB2 LYS 53 -3.736 0.344 -3.059 265 HB3 LYS 53 HB3 LYS 53 -2.080 -0.088 -2.648 266 HG2 LYS 53 HG2 LYS 53 -2.453 -2.356 -3.364 267 HG3 LYS 53 HG3 LYS 53 -4.162 -2.023 -3.655 268 HD2 LYS 53 HD2 LYS 53 -3.506 -0.387 -5.389 269 HD3 LYS 53 HD3 LYS 53 -1.814 -0.801 -5.106 270 HE2 LYS 53 HE2 LYS 53 -3.934 -2.760 -5.991 271 HE3 LYS 53 HE3 LYS 53 -2.811 -1.941 -7.076 272 HZ1 LYS 53 HZ3 LYS 53 -0.992 -2.958 -5.737 273 HZ2 LYS 53 HZ1 LYS 53 -1.924 -4.069 -6.604 274 HZ3 LYS 53 HZ2 LYS 53 -2.152 -3.896 -4.931 275 H VAL 54 HN VAL 54 -1.697 -0.574 0.452 276 HA VAL 54 HA VAL 54 -2.857 1.751 1.779 277 HB VAL 54 HB VAL 54 -2.007 -0.085 3.175 278 HG11 VAL 54 HG11 VAL 54 -0.189 -0.858 1.744 279 HG12 VAL 54 HG12 VAL 54 0.714 0.614 2.113 280 HG13 VAL 54 HG13 VAL 54 0.358 -0.544 3.392 281 HG21 VAL 54 HG23 VAL 54 -0.448 2.470 3.451 282 HG22 VAL 54 HG21 VAL 54 -2.031 2.123 4.140 283 HG23 VAL 54 HG22 VAL 54 -0.610 1.242 4.704 284 H TYR 55 HN TYR 55 -1.921 3.751 1.851 285 HA TYR 55 HA TYR 55 0.460 4.176 0.164 286 HD1 TYR 55 HD1 TYR 55 -3.072 3.814 -0.486 287 HD2 TYR 55 HD2 TYR 55 -0.303 6.271 -2.573 288 HE1 TYR 55 HE1 TYR 55 -3.936 2.965 -2.622 289 HE2 TYR 55 HE2 TYR 55 -1.158 5.429 -4.717 290 HH TYR 55 HH TYR 55 -4.045 3.701 -4.985 291 HB2 TYR 55 HB2 TYR 55 -1.946 5.972 0.508 292 HB3 TYR 55 HB3 TYR 55 -0.457 6.471 -0.278 293 H ASP 56 HN ASP 56 1.969 5.706 0.887 294 HA ASP 56 HA ASP 56 1.527 6.734 3.614 295 HB2 ASP 56 HB2 ASP 56 3.439 5.254 3.627 296 HB3 ASP 56 HB3 ASP 56 4.129 6.049 2.215 297 H LEU 57 HN LEU 57 1.950 8.948 3.998 298 HA LEU 57 HA LEU 57 2.350 10.462 1.506 299 HG LEU 57 HG LEU 57 -0.961 11.798 2.504 300 HB2 LEU 57 HB2 LEU 57 1.065 11.487 4.034 301 HB3 LEU 57 HB3 LEU 57 1.273 12.377 2.550 302 HD11 LEU 57 HD11 LEU 57 0.069 11.209 0.390 303 HD12 LEU 57 HD12 LEU 57 0.383 9.575 0.979 304 HD13 LEU 57 HD13 LEU 57 -1.274 10.133 0.760 305 HD21 LEU 57 HD23 LEU 57 -1.830 9.550 3.020 306 HD22 LEU 57 HD21 LEU 57 -0.204 9.062 3.498 307 HD23 LEU 57 HD22 LEU 57 -1.043 10.328 4.392 308 H THR 58 HN THR 58 2.907 10.859 4.980 309 HA THR 58 HA THR 58 4.441 12.007 6.176 310 HB THR 58 HB THR 58 6.841 11.383 5.648 311 HG1 THR 58 HG1 THR 58 5.762 9.417 3.923 312 HG21 THR 58 HG23 THR 58 6.524 9.071 6.393 313 HG22 THR 58 HG21 THR 58 4.809 9.189 6.015 314 HG23 THR 58 HG22 THR 58 5.499 10.195 7.288 315 H LYS 59 HN LYS 59 6.362 12.163 3.216 316 HA LYS 59 HA LYS 59 7.034 14.891 3.556 317 HB2 LYS 59 HB2 LYS 59 7.157 13.062 1.153 318 HB3 LYS 59 HB3 LYS 59 7.849 14.682 1.182 319 HG2 LYS 59 HG2 LYS 59 9.383 14.062 2.923 320 HG3 LYS 59 HG3 LYS 59 8.626 12.476 3.075 321 HD2 LYS 59 HD2 LYS 59 10.012 13.488 0.587 322 HD3 LYS 59 HD3 LYS 59 10.754 12.435 1.796 323 HE2 LYS 59 HE2 LYS 59 9.104 10.714 1.354 324 HE3 LYS 59 HE3 LYS 59 8.272 11.769 0.212 325 HZ1 LYS 59 HZ3 LYS 59 11.027 10.686 -0.089 326 HZ2 LYS 59 HZ1 LYS 59 10.285 11.770 -1.163 327 HZ3 LYS 59 HZ2 LYS 59 9.663 10.207 -0.966 328 H PHE 60 HN PHE 60 4.503 13.206 1.930 329 HA PHE 60 HA PHE 60 3.781 15.139 0.015 330 HD1 PHE 60 HD1 PHE 60 3.254 14.735 -1.969 331 HD2 PHE 60 HD2 PHE 60 0.079 12.598 -0.111 332 HE1 PHE 60 HE1 PHE 60 1.830 15.151 -3.931 333 HE2 PHE 60 HE2 PHE 60 -1.351 13.008 -2.068 334 HZ PHE 60 HZ PHE 60 -0.475 14.284 -3.982 335 HB2 PHE 60 HB2 PHE 60 3.376 12.637 -0.016 336 HB3 PHE 60 HB3 PHE 60 2.019 12.933 1.060 337 H LEU 61 HN LEU 61 3.240 15.117 3.292 338 HA LEU 61 HA LEU 61 0.558 15.720 3.696 339 HG LEU 61 HG LEU 61 2.903 14.234 5.238 340 HB2 LEU 61 HB2 LEU 61 2.926 16.667 5.303 341 HB3 LEU 61 HB3 LEU 61 1.260 16.687 5.848 342 HD11 LEU 61 HD11 LEU 61 3.466 15.475 7.311 343 HD12 LEU 61 HD12 LEU 61 1.807 15.243 7.854 344 HD13 LEU 61 HD13 LEU 61 2.853 13.844 7.600 345 HD21 LEU 61 HD23 LEU 61 0.064 14.468 6.243 346 HD22 LEU 61 HD21 LEU 61 0.559 13.880 4.656 347 HD23 LEU 61 HD22 LEU 61 0.994 12.974 6.105 348 H GLU 62 HN GLU 62 3.233 17.844 2.926 349 HA GLU 62 HA GLU 62 1.473 20.197 3.057 350 HB2 GLU 62 HB2 GLU 62 3.566 21.490 3.053 351 HB3 GLU 62 HB3 GLU 62 3.533 20.321 4.369 352 HG2 GLU 62 HG2 GLU 62 4.970 18.821 3.073 353 HG3 GLU 62 HG3 GLU 62 4.999 19.998 1.755 354 H GLU 63 HN GLU 63 2.194 17.997 0.867 355 HA GLU 63 HA GLU 63 3.017 19.799 -1.320 356 HB2 GLU 63 HB2 GLU 63 4.510 17.909 -0.654 357 HB3 GLU 63 HB3 GLU 63 3.227 16.790 -1.073 358 HG2 GLU 63 HG2 GLU 63 3.406 17.346 -3.386 359 HG3 GLU 63 HG3 GLU 63 4.512 18.675 -3.036 360 H HIS 64 HN HIS 64 0.432 18.135 -0.045 361 HA HIS 64 HA HIS 64 -0.917 17.844 -2.604 362 HD1 HIS 64 HD1 HIS 64 -4.138 16.974 0.152 363 HD2 HIS 64 HD2 HIS 64 -2.649 14.927 -3.200 364 HE1 HIS 64 HE1 HIS 64 -6.124 15.796 -0.929 365 HB2 HIS 64 HB3 HIS 64 -0.850 15.857 -1.189 366 HB3 HIS 64 HB2 HIS 64 -1.563 16.722 0.133 367 HA PRO 65 HA PRO 65 -3.023 21.711 -2.000 368 HB2 PRO 65 HB2 PRO 65 -5.495 20.918 -3.083 369 HB3 PRO 65 HB3 PRO 65 -4.138 21.618 -3.966 370 HG2 PRO 65 HG2 PRO 65 -4.930 18.759 -3.656 371 HG3 PRO 65 HG3 PRO 65 -4.229 19.584 -5.055 372 HD2 PRO 65 HD2 PRO 65 -2.739 17.989 -3.534 373 HD3 PRO 65 HD3 PRO 65 -2.069 19.496 -4.191 374 H GLY 66 HN GLY 66 -5.654 19.353 -1.662 375 HA2 GLY 66 HA1 GLY 66 -6.488 20.655 0.809 376 HA3 GLY 66 HA2 GLY 66 -7.394 19.450 -0.096 377 H GLY 67 HN GLY 67 -4.250 19.658 1.585 378 HA2 GLY 67 HA1 GLY 67 -4.769 16.907 2.510 379 HA3 GLY 67 HA2 GLY 67 -3.167 17.547 2.177 380 H GLU 68 HN GLU 68 -2.684 16.719 4.264 381 HA GLU 68 HA GLU 68 -2.287 16.779 6.467 382 HB2 GLU 68 HB2 GLU 68 -1.425 19.038 5.800 383 HB3 GLU 68 HB3 GLU 68 -2.965 19.718 6.315 384 HG2 GLU 68 HG2 GLU 68 -2.583 18.776 8.564 385 HG3 GLU 68 HG3 GLU 68 -0.999 18.222 8.020 386 H GLU 69 HN GLU 69 -4.657 19.355 6.606 387 HA GLU 69 HA GLU 69 -6.050 18.263 8.815 388 HB2 GLU 69 HB2 GLU 69 -5.904 20.703 8.225 389 HB3 GLU 69 HB3 GLU 69 -6.981 20.393 6.869 390 HG2 GLU 69 HG2 GLU 69 -8.291 21.288 8.628 391 HG3 GLU 69 HG3 GLU 69 -8.682 19.576 8.503 392 H VAL 70 HN VAL 70 -6.913 18.644 5.387 393 HA VAL 70 HA VAL 70 -9.155 16.814 5.717 394 HB VAL 70 HB VAL 70 -8.339 18.193 3.157 395 HG11 VAL 70 HG11 VAL 70 -10.699 17.901 2.559 396 HG12 VAL 70 HG12 VAL 70 -9.919 16.352 2.898 397 HG13 VAL 70 HG13 VAL 70 -10.984 17.089 4.098 398 HG21 VAL 70 HG23 VAL 70 -10.246 19.209 5.258 399 HG22 VAL 70 HG21 VAL 70 -8.661 19.890 4.891 400 HG23 VAL 70 HG22 VAL 70 -9.945 19.950 3.687 401 H LEU 71 HN LEU 71 -6.454 15.955 6.042 402 HA LEU 71 HA LEU 71 -6.460 13.808 4.033 403 HG LEU 71 HG LEU 71 -3.673 12.661 5.138 404 HB2 LEU 71 HB2 LEU 71 -4.481 15.213 3.748 405 HB3 LEU 71 HB3 LEU 71 -4.096 15.052 5.452 406 HD11 LEU 71 HD11 LEU 71 -5.196 12.209 3.304 407 HD12 LEU 71 HD12 LEU 71 -4.233 13.224 2.230 408 HD13 LEU 71 HD13 LEU 71 -3.556 11.726 2.870 409 HD21 LEU 71 HD23 LEU 71 -2.154 14.309 3.132 410 HD22 LEU 71 HD21 LEU 71 -1.881 14.359 4.875 411 HD23 LEU 71 HD22 LEU 71 -1.592 12.867 3.977 412 H ARG 72 HN ARG 72 -5.556 14.796 7.285 413 HA ARG 72 HA ARG 72 -5.245 12.336 8.523 414 HE ARG 72 HE ARG 72 -5.909 17.572 10.748 415 HB2 ARG 72 HB2 ARG 72 -5.306 13.493 10.555 416 HB3 ARG 72 HB3 ARG 72 -4.733 14.683 9.394 417 HG2 ARG 72 HG2 ARG 72 -6.800 15.771 9.333 418 HG3 ARG 72 HG3 ARG 72 -7.613 14.423 10.122 419 HD2 ARG 72 HD2 ARG 72 -7.421 15.951 11.849 420 HD3 ARG 72 HD3 ARG 72 -5.997 14.934 12.085 421 HH11 ARG 72 HH12 ARG 72 -4.567 15.179 12.917 422 HH12 ARG 72 HH11 ARG 72 -3.235 16.166 13.405 423 HH21 ARG 72 HH22 ARG 72 -4.112 18.881 11.346 424 HH22 ARG 72 HH21 ARG 72 -2.961 18.271 12.505 425 H GLU 73 HN GLU 73 -8.045 13.966 7.541 426 HA GLU 73 HA GLU 73 -10.099 12.891 9.105 427 HB2 GLU 73 HB2 GLU 73 -10.300 14.828 7.581 428 HB3 GLU 73 HB3 GLU 73 -10.074 13.764 6.201 429 HG2 GLU 73 HG2 GLU 73 -12.359 14.141 6.268 430 HG3 GLU 73 HG3 GLU 73 -12.159 12.551 7.005 431 H GLN 74 HN GLN 74 -8.347 11.687 6.361 432 HA GLN 74 HA GLN 74 -10.094 9.331 6.182 433 HB2 GLN 74 HB2 GLN 74 -8.332 10.655 4.122 434 HB3 GLN 74 HB3 GLN 74 -9.185 9.145 3.871 435 HG2 GLN 74 HG2 GLN 74 -10.432 11.827 4.399 436 HG3 GLN 74 HG3 GLN 74 -10.402 10.959 2.864 437 HE21 GLN 74 HE21 GLN 74 -12.683 11.887 4.406 438 HE22 GLN 74 HE22 GLN 74 -13.634 10.494 4.758 439 H ALA 75 HN ALA 75 -7.101 10.387 7.187 440 HA ALA 75 HA ALA 75 -5.429 8.248 6.339 441 HB1 ALA 75 HB3 ALA 75 -4.984 10.070 8.691 442 HB2 ALA 75 HB1 ALA 75 -3.770 9.189 7.765 443 HB3 ALA 75 HB2 ALA 75 -4.646 10.530 7.021 444 H GLY 76 HN GLY 76 -5.654 6.215 7.015 445 HA2 GLY 76 HA1 GLY 76 -5.171 5.114 9.336 446 HA3 GLY 76 HA2 GLY 76 -6.772 5.741 9.675 447 H GLY 77 HN GLY 77 -7.193 5.034 6.569 448 HA2 GLY 77 HA1 GLY 77 -7.044 2.229 6.438 449 HA3 GLY 77 HA2 GLY 77 -8.618 2.663 7.091 450 H ASP 78 HN ASP 78 -9.981 2.179 5.480 451 HA ASP 78 HA ASP 78 -9.057 2.048 2.765 452 HB2 ASP 78 HB2 ASP 78 -10.561 0.401 4.071 453 HB3 ASP 78 HB3 ASP 78 -11.871 1.494 3.649 454 H ALA 79 HN ALA 79 -8.905 4.589 3.060 455 HA ALA 79 HA ALA 79 -11.098 6.217 3.504 456 HB1 ALA 79 HB3 ALA 79 -8.518 6.852 2.108 457 HB2 ALA 79 HB1 ALA 79 -9.643 8.034 2.765 458 HB3 ALA 79 HB2 ALA 79 -8.813 6.911 3.843 459 H THR 80 HN THR 80 -10.495 4.529 0.714 460 HA THR 80 HA THR 80 -10.998 6.459 -1.278 461 HB THR 80 HB THR 80 -9.680 4.461 -1.692 462 HG1 THR 80 HG1 THR 80 -12.044 4.566 -3.299 463 HG21 THR 80 HG23 THR 80 -10.923 2.874 -0.295 464 HG22 THR 80 HG21 THR 80 -10.700 2.255 -1.934 465 HG23 THR 80 HG22 THR 80 -12.262 2.911 -1.441 466 H GLU 81 HN GLU 81 -13.107 6.955 0.308 467 HA GLU 81 HA GLU 81 -15.408 5.902 -1.191 468 HB2 GLU 81 HB2 GLU 81 -15.571 6.137 1.310 469 HB3 GLU 81 HB3 GLU 81 -15.405 7.880 1.108 470 HG2 GLU 81 HG2 GLU 81 -17.439 7.943 -0.214 471 HG3 GLU 81 HG3 GLU 81 -17.593 6.192 -0.093 472 H ASN 82 HN ASN 82 -13.875 8.897 -0.222 473 HA ASN 82 HA ASN 82 -15.027 10.819 -1.804 474 HB2 ASN 82 HB2 ASN 82 -12.207 10.377 -0.832 475 HB3 ASN 82 HB3 ASN 82 -12.615 11.806 -1.778 476 HD21 ASN 82 HD21 ASN 82 -15.233 12.211 -0.609 477 HD22 ASN 82 HD22 ASN 82 -14.962 12.743 1.017 478 H PHE 83 HN PHE 83 -12.740 8.372 -2.627 479 HA PHE 83 HA PHE 83 -11.777 9.466 -5.067 480 HD1 PHE 83 HD1 PHE 83 -11.276 6.002 -6.578 481 HD2 PHE 83 HD2 PHE 83 -8.747 8.725 -4.506 482 HE1 PHE 83 HE1 PHE 83 -9.572 5.746 -8.332 483 HE2 PHE 83 HE2 PHE 83 -7.038 8.476 -6.260 484 HZ PHE 83 HZ PHE 83 -7.407 7.020 -8.139 485 HB2 PHE 83 HB2 PHE 83 -10.677 7.792 -3.444 486 HB3 PHE 83 HB3 PHE 83 -11.661 6.570 -4.233 487 H GLU 84 HN GLU 84 -14.496 7.600 -4.149 488 HA GLU 84 HA GLU 84 -14.956 6.457 -6.795 489 HB2 GLU 84 HB2 GLU 84 -16.735 6.231 -4.368 490 HB3 GLU 84 HB3 GLU 84 -16.679 5.169 -5.765 491 HG2 GLU 84 HG2 GLU 84 -14.568 5.448 -3.639 492 HG3 GLU 84 HG3 GLU 84 -15.700 4.112 -3.824 493 H ASP 85 HN ASP 85 -15.937 9.027 -4.776 494 HA ASP 85 HA ASP 85 -18.529 9.431 -6.009 495 HB2 ASP 85 HB2 ASP 85 -18.372 9.711 -3.607 496 HB3 ASP 85 HB3 ASP 85 -17.075 10.889 -3.795 497 H VAL 86 HN VAL 86 -15.571 11.384 -5.545 498 HA VAL 86 HA VAL 86 -16.441 12.988 -7.857 499 HB VAL 86 HB VAL 86 -15.013 14.812 -7.017 500 HG11 VAL 86 HG11 VAL 86 -16.425 15.479 -5.132 501 HG12 VAL 86 HG12 VAL 86 -17.378 14.786 -6.450 502 HG13 VAL 86 HG13 VAL 86 -17.034 13.829 -5.007 503 HG21 VAL 86 HG23 VAL 86 -14.638 13.085 -4.572 504 HG22 VAL 86 HG21 VAL 86 -13.389 13.478 -5.760 505 HG23 VAL 86 HG22 VAL 86 -14.097 14.752 -4.762 506 H GLY 87 HN GLY 87 -14.637 10.467 -7.305 507 HA2 GLY 87 HA1 GLY 87 -12.811 9.502 -8.297 508 HA3 GLY 87 HA2 GLY 87 -13.023 10.694 -9.573 509 H HIS 88 HN HIS 88 -11.247 11.715 -9.960 510 HA HIS 88 HA HIS 88 -9.954 13.298 -8.007 511 HD1 HIS 88 HD1 HIS 88 -9.222 10.499 -5.842 512 HD2 HIS 88 HD2 HIS 88 -6.707 13.608 -7.025 513 HE1 HIS 88 HE1 HIS 88 -8.062 11.334 -3.736 514 HB2 HIS 88 HB2 HIS 88 -8.876 10.657 -8.419 515 HB3 HIS 88 HB3 HIS 88 -7.730 11.861 -9.005 516 H SER 89 HN SER 89 -7.877 14.291 -9.142 517 HA SER 89 HA SER 89 -8.880 15.357 -11.615 518 HG SER 89 HG SER 89 -5.604 16.417 -9.528 519 HB2 SER 89 HB2 SER 89 -6.677 16.712 -11.350 520 HB3 SER 89 HB3 SER 89 -7.979 16.955 -10.183 521 H THR 90 HN THR 90 -8.023 12.556 -11.716 522 HA THR 90 HA THR 90 -7.077 11.150 -13.224 523 HB THR 90 HB THR 90 -6.120 13.623 -14.675 524 HG1 THR 90 HG1 THR 90 -8.160 13.805 -15.193 525 HG21 THR 90 HG23 THR 90 -6.491 10.777 -15.635 526 HG22 THR 90 HG21 THR 90 -4.940 11.578 -15.370 527 HG23 THR 90 HG22 THR 90 -6.027 12.149 -16.640 528 H ASP 91 HN ASP 91 -4.939 13.809 -12.304 529 HA ASP 91 HA ASP 91 -2.451 12.720 -12.747 530 HB2 ASP 91 HB2 ASP 91 -3.098 15.030 -11.824 531 HB3 ASP 91 HB3 ASP 91 -3.106 14.260 -10.239 532 H ALA 92 HN ALA 92 -4.520 12.297 -9.916 533 HA ALA 92 HA ALA 92 -2.663 10.665 -8.490 534 HB1 ALA 92 HB3 ALA 92 -4.512 10.344 -6.899 535 HB2 ALA 92 HB1 ALA 92 -4.245 12.042 -7.292 536 HB3 ALA 92 HB2 ALA 92 -5.596 11.171 -8.018 537 H ARG 93 HN ARG 93 -3.951 9.827 -11.230 538 HA ARG 93 HA ARG 93 -4.712 7.103 -10.430 539 HE ARG 93 HE ARG 93 -7.045 6.511 -13.983 540 HB2 ARG 93 HB2 ARG 93 -4.838 8.544 -13.089 541 HB3 ARG 93 HB3 ARG 93 -5.248 6.855 -12.883 542 HG2 ARG 93 HG2 ARG 93 -7.111 7.403 -11.509 543 HG3 ARG 93 HG3 ARG 93 -6.626 9.100 -11.448 544 HD2 ARG 93 HD2 ARG 93 -8.398 8.877 -13.035 545 HD3 ARG 93 HD3 ARG 93 -6.913 9.214 -13.908 546 HH11 ARG 93 HH12 ARG 93 -9.276 9.068 -14.843 547 HH12 ARG 93 HH11 ARG 93 -10.124 8.123 -16.023 548 HH21 ARG 93 HH22 ARG 93 -8.124 5.256 -15.556 549 HH22 ARG 93 HH21 ARG 93 -9.473 5.936 -16.428 550 H GLU 94 HN GLU 94 -2.112 8.972 -11.352 551 HA GLU 94 HA GLU 94 -0.578 6.684 -12.387 552 HB2 GLU 94 HB2 GLU 94 -1.423 8.135 -14.217 553 HB3 GLU 94 HB3 GLU 94 -0.589 9.500 -13.498 554 HG2 GLU 94 HG2 GLU 94 1.521 8.633 -14.023 555 HG3 GLU 94 HG3 GLU 94 0.866 7.026 -14.355 556 H MET 95 HN MET 95 -0.636 9.781 -10.763 557 HA MET 95 HA MET 95 2.153 10.025 -10.243 558 HB2 MET 95 HB2 MET 95 0.738 11.973 -10.221 559 HB3 MET 95 HB3 MET 95 -0.275 11.284 -8.959 560 HG2 MET 95 HG2 MET 95 1.135 12.932 -7.978 561 HG3 MET 95 HG3 MET 95 1.669 11.348 -7.429 562 HE1 MET 95 HE3 MET 95 2.386 14.402 -9.722 563 HE2 MET 95 HE1 MET 95 3.808 13.881 -10.629 564 HE3 MET 95 HE2 MET 95 2.252 13.099 -10.896 565 H SER 96 HN SER 96 -0.509 8.506 -8.628 566 HA SER 96 HA SER 96 0.590 8.535 -6.002 567 HG SER 96 HG SER 96 -2.575 6.217 -6.908 568 HB2 SER 96 HB2 SER 96 -1.392 7.259 -5.422 569 HB3 SER 96 HB3 SER 96 -1.832 8.561 -6.511 570 H LYS 97 HN LYS 97 1.435 6.747 -8.598 571 HA LYS 97 HA LYS 97 1.191 4.086 -7.791 572 HB2 LYS 97 HB2 LYS 97 3.094 5.386 -9.744 573 HB3 LYS 97 HB3 LYS 97 2.842 3.653 -9.609 574 HG2 LYS 97 HG2 LYS 97 0.530 5.497 -10.082 575 HG3 LYS 97 HG3 LYS 97 1.555 4.974 -11.418 576 HD2 LYS 97 HD2 LYS 97 0.306 3.012 -9.516 577 HD3 LYS 97 HD3 LYS 97 -0.552 3.603 -10.943 578 HE2 LYS 97 HE2 LYS 97 1.326 2.832 -12.342 579 HE3 LYS 97 HE3 LYS 97 2.113 2.183 -10.908 580 HZ1 LYS 97 HZ3 LYS 97 0.193 0.707 -10.604 581 HZ2 LYS 97 HZ1 LYS 97 0.970 0.440 -12.084 582 HZ3 LYS 97 HZ2 LYS 97 -0.493 1.296 -12.034 583 H THR 98 HN THR 98 3.717 6.445 -7.130 584 HA THR 98 HA THR 98 5.439 4.396 -5.969 585 HB THR 98 HB THR 98 6.882 6.569 -5.573 586 HG1 THR 98 HG1 THR 98 6.351 8.228 -6.948 587 HG21 THR 98 HG23 THR 98 7.435 4.699 -7.080 588 HG22 THR 98 HG21 THR 98 7.859 6.257 -7.788 589 HG23 THR 98 HG22 THR 98 6.406 5.410 -8.323 590 H PHE 99 HN PHE 99 2.856 5.937 -4.898 591 HA PHE 99 HA PHE 99 3.868 6.454 -2.193 592 HD1 PHE 99 HD2 PHE 99 3.538 8.718 -1.186 593 HD2 PHE 99 HD1 PHE 99 1.506 8.798 -4.925 594 HE1 PHE 99 HE2 PHE 99 4.385 10.990 -1.590 595 HE2 PHE 99 HE1 PHE 99 2.353 11.073 -5.340 596 HZ PHE 99 HZ PHE 99 3.806 12.177 -3.628 597 HB2 PHE 99 HB2 PHE 99 1.218 6.997 -3.553 598 HB3 PHE 99 HB3 PHE 99 1.457 7.205 -1.820 599 H ILE 100 HN ILE 100 2.482 4.072 -4.116 600 HA ILE 100 HA ILE 100 0.963 2.696 -2.120 601 HB ILE 100 HB ILE 100 2.057 1.470 -4.651 602 HG12 ILE 100 HG12 ILE 100 -0.562 2.936 -4.314 603 HG13 ILE 100 HG13 ILE 100 0.835 3.557 -5.193 604 HG21 ILE 100 HG21 ILE 100 0.177 -0.034 -4.429 605 HG22 ILE 100 HG22 ILE 100 1.118 -0.030 -2.935 606 HG23 ILE 100 HG23 ILE 100 -0.405 0.861 -3.024 607 HD11 ILE 100 HD13 ILE 100 0.657 1.710 -6.779 608 HD12 ILE 100 HD11 ILE 100 -0.734 1.080 -5.893 609 HD13 ILE 100 HD12 ILE 100 -0.841 2.642 -6.707 610 H ILE 101 HN ILE 101 2.461 2.482 -0.404 611 HA ILE 101 HA ILE 101 5.036 1.322 -0.742 612 HB ILE 101 HB ILE 101 5.037 1.133 1.747 613 HG12 ILE 101 HG12 ILE 101 2.311 2.425 1.505 614 HG13 ILE 101 HG13 ILE 101 2.608 0.763 2.017 615 HG21 ILE 101 HG21 ILE 101 4.219 3.831 0.672 616 HG22 ILE 101 HG22 ILE 101 5.084 3.528 2.179 617 HG23 ILE 101 HG23 ILE 101 5.849 3.156 0.634 618 HD11 ILE 101 HD13 ILE 101 3.603 3.218 3.440 619 HD12 ILE 101 HD11 ILE 101 2.186 2.271 3.900 620 HD13 ILE 101 HD12 ILE 101 3.792 1.546 3.968 621 H GLY 102 HN GLY 102 1.851 0.018 -0.235 622 HA2 GLY 102 HA1 GLY 102 2.512 -2.544 -1.046 623 HA3 GLY 102 HA2 GLY 102 2.653 -2.551 0.710 624 H GLU 103 HN GLU 103 0.909 -4.025 0.872 625 HA GLU 103 HA GLU 103 -1.675 -2.657 0.681 626 HB2 GLU 103 HB2 GLU 103 -1.146 -5.485 -0.243 627 HB3 GLU 103 HB3 GLU 103 -2.746 -4.780 -0.049 628 HG2 GLU 103 HG2 GLU 103 -2.110 -3.047 -1.719 629 HG3 GLU 103 HG3 GLU 103 -0.610 -3.931 -1.983 630 H LEU 104 HN LEU 104 -3.339 -4.383 1.763 631 HA LEU 104 HA LEU 104 -2.546 -4.460 4.501 632 HG LEU 104 HG LEU 104 -4.619 -2.987 3.361 633 HB2 LEU 104 HB2 LEU 104 -4.930 -5.609 3.078 634 HB3 LEU 104 HB3 LEU 104 -4.732 -5.587 4.818 635 HD11 LEU 104 HD11 LEU 104 -7.054 -2.786 3.504 636 HD12 LEU 104 HD12 LEU 104 -6.584 -4.086 2.413 637 HD13 LEU 104 HD13 LEU 104 -7.163 -4.464 4.034 638 HD21 LEU 104 HD23 LEU 104 -5.614 -2.182 5.417 639 HD22 LEU 104 HD21 LEU 104 -5.779 -3.839 6.011 640 HD23 LEU 104 HD22 LEU 104 -4.177 -3.141 5.779 641 H HIS 105 HN HIS 105 -2.809 -6.507 5.831 642 HA HIS 105 HA HIS 105 -1.157 -8.597 4.833 643 HD1 HIS 105 HD1 HIS 105 -1.442 -10.787 8.601 644 HD2 HIS 105 HD2 HIS 105 0.842 -8.196 6.282 645 HE1 HIS 105 HE1 HIS 105 0.950 -11.404 9.055 646 HE2 HIS 105 HE2 HIS 105 2.300 -9.676 7.822 647 HB2 HIS 105 HB2 HIS 105 -2.226 -7.829 7.333 648 HB3 HIS 105 HB3 HIS 105 -2.837 -9.451 7.033 649 HA PRO 106 HA PRO 106 -3.966 -11.403 2.792 650 HB2 PRO 106 HB2 PRO 106 -3.519 -13.746 4.243 651 HB3 PRO 106 HB3 PRO 106 -2.590 -13.201 2.841 652 HG2 PRO 106 HG2 PRO 106 -1.977 -12.930 5.752 653 HG3 PRO 106 HG3 PRO 106 -0.884 -13.260 4.393 654 HD2 PRO 106 HD2 PRO 106 -1.008 -10.842 5.511 655 HD3 PRO 106 HD3 PRO 106 -0.811 -11.031 3.754 656 H ASP 107 HN ASP 107 -4.266 -10.664 6.056 657 HA ASP 107 HA ASP 107 -6.698 -12.204 6.549 658 HB2 ASP 107 HB2 ASP 107 -4.726 -12.050 8.171 659 HB3 ASP 107 HB3 ASP 107 -5.189 -10.375 8.436 660 H ASP 108 HN ASP 108 -5.540 -9.011 5.876 661 HA ASP 108 HA ASP 108 -8.056 -7.697 6.688 662 HB2 ASP 108 HB2 ASP 108 -5.515 -6.361 5.747 663 HB3 ASP 108 HB3 ASP 108 -6.849 -5.636 6.635 664 H ARG 109 HN ARG 109 -5.924 -8.371 4.085 665 HA ARG 109 HA ARG 109 -6.656 -6.540 2.146 666 HE ARG 109 HE ARG 109 -3.734 -6.952 -1.805 667 HB2 ARG 109 HB2 ARG 109 -4.681 -8.189 2.142 668 HB3 ARG 109 HB3 ARG 109 -5.816 -9.353 1.472 669 HG2 ARG 109 HG2 ARG 109 -6.230 -7.788 -0.418 670 HG3 ARG 109 HG3 ARG 109 -4.969 -6.736 0.227 671 HD2 ARG 109 HD2 ARG 109 -3.426 -8.742 0.108 672 HD3 ARG 109 HD3 ARG 109 -4.688 -9.541 -0.821 673 HH11 ARG 109 HH12 ARG 109 -3.728 -10.442 -2.082 674 HH12 ARG 109 HH11 ARG 109 -3.023 -10.450 -3.659 675 HH21 ARG 109 HH22 ARG 109 -2.763 -6.960 -3.887 676 HH22 ARG 109 HH21 ARG 109 -2.489 -8.474 -4.695 677 HA PRO 110 HA PRO 110 -10.013 -9.399 0.514 678 HB2 PRO 110 HB2 PRO 110 -10.695 -11.702 1.682 679 HB3 PRO 110 HB3 PRO 110 -9.309 -11.598 0.590 680 HG2 PRO 110 HG2 PRO 110 -9.366 -11.682 3.571 681 HG3 PRO 110 HG3 PRO 110 -8.238 -12.462 2.453 682 HD2 PRO 110 HD2 PRO 110 -7.743 -10.104 3.819 683 HD3 PRO 110 HD3 PRO 110 -6.899 -10.619 2.346 684 H LYS 111 HN LYS 111 -9.762 -9.192 3.981 685 HA LYS 111 HA LYS 111 -11.099 -8.319 5.585 686 HB2 LYS 111 HB2 LYS 111 -12.932 -7.655 3.286 687 HB3 LYS 111 HB3 LYS 111 -13.282 -7.236 4.959 688 HG2 LYS 111 HG2 LYS 111 -11.129 -5.958 4.997 689 HG3 LYS 111 HG3 LYS 111 -10.995 -6.255 3.262 690 HD2 LYS 111 HD2 LYS 111 -13.187 -5.173 2.924 691 HD3 LYS 111 HD3 LYS 111 -13.257 -4.815 4.651 692 HE2 LYS 111 HE2 LYS 111 -11.169 -3.494 4.404 693 HE3 LYS 111 HE3 LYS 111 -11.228 -3.780 2.667 694 HZ1 LYS 111 HZ3 LYS 111 -12.216 -1.691 2.965 695 HZ2 LYS 111 HZ1 LYS 111 -13.094 -2.197 4.331 696 HZ3 LYS 111 HZ2 LYS 111 -13.539 -2.743 2.797 697 H LEU 112 HN LEU 112 -12.868 -10.313 3.247 698 HA LEU 112 HA LEU 112 -14.878 -11.002 5.191 699 HG LEU 112 HG LEU 112 -14.275 -13.519 2.600 700 HB2 LEU 112 HB2 LEU 112 -16.084 -11.983 3.479 701 HB3 LEU 112 HB3 LEU 112 -15.250 -10.669 2.682 702 HD11 LEU 112 HD11 LEU 112 -16.041 -12.060 0.643 703 HD12 LEU 112 HD12 LEU 112 -15.283 -13.629 0.363 704 HD13 LEU 112 HD13 LEU 112 -16.486 -13.448 1.638 705 HD21 LEU 112 HD23 LEU 112 -13.121 -12.693 0.542 706 HD22 LEU 112 HD21 LEU 112 -13.603 -11.059 0.997 707 HD23 LEU 112 HD22 LEU 112 -12.533 -11.988 2.049 708 H ASN 113 HN ASN 113 -15.413 -13.641 4.311 709 HA ASN 113 HA ASN 113 -14.647 -15.010 6.468 710 HB2 ASN 113 HB2 ASN 113 -15.375 -15.997 3.746 711 HB3 ASN 113 HB3 ASN 113 -14.983 -17.135 5.027 712 HD21 ASN 113 HD21 ASN 113 -16.081 -15.428 7.135 713 HD22 ASN 113 HD22 ASN 113 -17.802 -15.545 6.974 714 H LYS 114 HN LYS 114 -12.743 -15.157 3.428 715 HA LYS 114 HA LYS 114 -10.486 -15.447 3.169 716 HB2 LYS 114 HB2 LYS 114 -9.875 -14.173 4.984 717 HB3 LYS 114 HB3 LYS 114 -10.746 -15.180 6.123 718 HG2 LYS 114 HG2 LYS 114 -8.941 -16.894 5.848 719 HG3 LYS 114 HG3 LYS 114 -8.046 -15.690 4.904 720 HD2 LYS 114 HD2 LYS 114 -8.021 -14.171 6.753 721 HD3 LYS 114 HD3 LYS 114 -9.107 -15.202 7.684 722 HE2 LYS 114 HE2 LYS 114 -7.312 -16.968 7.583 723 HE3 LYS 114 HE3 LYS 114 -6.241 -15.719 6.944 724 HZ1 LYS 114 HZ3 LYS 114 -6.805 -14.385 8.955 725 HZ2 LYS 114 HZ1 LYS 114 -5.936 -15.806 9.286 726 HZ3 LYS 114 HZ2 LYS 114 -7.608 -15.742 9.577 727 HA PRO 115 HA PRO 115 -10.071 -19.840 2.752 728 HB2 PRO 115 HB2 PRO 115 -7.159 -19.357 3.055 729 HB3 PRO 115 HB3 PRO 115 -8.032 -20.186 1.763 730 HG2 PRO 115 HG2 PRO 115 -7.047 -17.752 1.374 731 HG3 PRO 115 HG3 PRO 115 -8.633 -18.202 0.720 732 HD2 PRO 115 HD2 PRO 115 -7.969 -16.544 3.123 733 HD3 PRO 115 HD3 PRO 115 -9.255 -16.320 1.917 734 HA PRO 116 HA PRO 116 -10.005 -21.243 6.977 735 HB2 PRO 116 HB2 PRO 116 -9.585 -23.845 5.577 736 HB3 PRO 116 HB3 PRO 116 -10.764 -23.410 6.819 737 HG2 PRO 116 HG2 PRO 116 -11.517 -23.633 4.287 738 HG3 PRO 116 HG3 PRO 116 -12.165 -22.341 5.312 739 HD2 PRO 116 HD2 PRO 116 -10.093 -22.193 3.165 740 HD3 PRO 116 HD3 PRO 116 -11.348 -21.020 3.611 741 H GLU 117 HN GLU 117 -7.815 -23.072 4.821 742 HA GLU 117 HA GLU 117 -5.788 -22.937 6.950 743 HB2 GLU 117 HB2 GLU 117 -6.219 -25.124 4.905 744 HB3 GLU 117 HB3 GLU 117 -4.904 -25.075 6.067 745 HG2 GLU 117 HG2 GLU 117 -7.814 -25.174 6.808 746 HG3 GLU 117 HG3 GLU 117 -6.758 -26.579 6.708 747 H THR 118 HN THR 118 -3.546 -23.122 6.219 748 HA THR 118 HA THR 118 -3.081 -22.211 3.479 749 HB THR 118 HB THR 118 -2.941 -20.237 4.984 750 HG1 THR 118 HG1 THR 118 -1.620 -20.104 3.208 751 HG21 THR 118 HG23 THR 118 -1.112 -20.062 6.594 752 HG22 THR 118 HG21 THR 118 -0.668 -21.736 6.273 753 HG23 THR 118 HG22 THR 118 -2.216 -21.369 7.020 754 H LEU 119 HN LEU 119 -0.332 -22.212 3.465 755 HA LEU 119 HA LEU 119 0.318 -24.923 4.410 756 HG LEU 119 HG LEU 119 2.918 -25.409 2.931 757 HB2 LEU 119 HB2 LEU 119 0.183 -24.621 1.907 758 HB3 LEU 119 HB3 LEU 119 1.569 -23.554 2.029 759 HD11 LEU 119 HD11 LEU 119 1.975 -27.719 2.761 760 HD12 LEU 119 HD12 LEU 119 1.253 -26.725 4.029 761 HD13 LEU 119 HD13 LEU 119 0.385 -26.992 2.519 762 HD21 LEU 119 HD23 LEU 119 3.005 -26.760 0.857 763 HD22 LEU 119 HD21 LEU 119 1.519 -25.981 0.318 764 HD23 LEU 119 HD22 LEU 119 2.986 -25.025 0.552 765 H ILE 120 HN ILE 120 2.814 -22.993 3.007 766 HA ILE 120 HA ILE 120 3.823 -22.320 5.692 767 HB ILE 120 HB ILE 120 5.591 -22.671 3.275 768 HG12 ILE 120 HG12 ILE 120 4.442 -24.818 3.687 769 HG13 ILE 120 HG13 ILE 120 6.160 -24.912 4.061 770 HG21 ILE 120 HG21 ILE 120 7.344 -22.971 4.984 771 HG22 ILE 120 HG22 ILE 120 6.548 -21.399 5.097 772 HG23 ILE 120 HG23 ILE 120 6.135 -22.677 6.238 773 HD11 ILE 120 HD13 ILE 120 5.698 -24.775 6.422 774 HD12 ILE 120 HD11 ILE 120 3.979 -24.543 6.104 775 HD13 ILE 120 HD12 ILE 120 4.753 -26.076 5.704 776 H THR 121 HN THR 121 2.552 -20.350 5.470 777 HA THR 121 HA THR 121 3.200 -18.540 3.317 778 HB THR 121 HB THR 121 1.686 -17.168 5.234 779 HG1 THR 121 HG1 THR 121 0.231 -19.497 4.904 780 HG21 THR 121 HG23 THR 121 -0.148 -17.469 3.610 781 HG22 THR 121 HG21 THR 121 0.802 -18.704 2.781 782 HG23 THR 121 HG22 THR 121 1.366 -17.031 2.823 783 H THR 122 HN THR 122 4.119 -19.030 6.620 784 HA THR 122 HA THR 122 5.113 -16.336 6.953 785 HB THR 122 HB THR 122 5.878 -17.330 9.210 786 HG1 THR 122 HG1 THR 122 5.718 -19.474 9.038 787 HG21 THR 122 HG23 THR 122 3.628 -17.130 10.137 788 HG22 THR 122 HG21 THR 122 2.929 -17.299 8.524 789 HG23 THR 122 HG22 THR 122 3.903 -15.880 8.918 790 H ILE 123 HN ILE 123 6.507 -17.164 4.899 791 HA ILE 123 HA ILE 123 9.086 -18.153 5.888 792 HB ILE 123 HB ILE 123 8.342 -17.592 3.008 793 HG12 ILE 123 HG12 ILE 123 8.248 -20.202 4.533 794 HG13 ILE 123 HG13 ILE 123 6.852 -19.308 3.933 795 HG21 ILE 123 HG21 ILE 123 10.255 -19.056 2.510 796 HG22 ILE 123 HG22 ILE 123 10.740 -17.641 3.445 797 HG23 ILE 123 HG23 ILE 123 10.577 -19.210 4.238 798 HD11 ILE 123 HD13 ILE 123 9.000 -20.577 2.246 799 HD12 ILE 123 HD11 ILE 123 7.372 -21.203 2.503 800 HD13 ILE 123 HD12 ILE 123 7.608 -19.682 1.638 801 H ASP 124 HN ASP 124 8.949 -15.961 7.056 802 HA ASP 124 HA ASP 124 9.543 -13.600 5.563 803 HB2 ASP 124 HB2 ASP 124 8.535 -13.538 7.833 804 HB3 ASP 124 HB3 ASP 124 10.029 -14.190 8.498 805 H SER 125 HN SER 125 11.525 -15.392 7.898 806 HA SER 125 HA SER 125 13.909 -14.683 6.332 807 HG SER 125 HG SER 125 12.532 -15.474 9.550 808 HB2 SER 125 HB2 SER 125 15.147 -15.278 8.416 809 HB3 SER 125 HB3 SER 125 14.000 -13.954 8.636 810 H SER 126 HN SER 126 12.283 -17.400 7.894 811 HA SER 126 HA SER 126 13.329 -19.293 6.008 812 HG SER 126 HG SER 126 14.880 -18.479 9.359 813 HB2 SER 126 HB2 SER 126 14.411 -20.719 7.802 814 HB3 SER 126 HB3 SER 126 15.283 -19.240 7.413 815 H SER 127 HN SER 127 12.436 -19.684 9.392 816 HA SER 127 HA SER 127 9.805 -20.698 8.560 817 HG SER 127 HG SER 127 12.409 -21.060 10.709 818 HB2 SER 127 HB2 SER 127 10.030 -22.263 10.600 819 HB3 SER 127 HB3 SER 127 10.942 -22.686 9.152 820 H SER 128 HN SER 128 11.002 -18.150 9.581 821 HA SER 128 HA SER 128 8.945 -17.577 11.539 822 HG SER 128 HG SER 128 9.665 -15.746 12.958 823 HB2 SER 128 HB2 SER 128 11.022 -18.132 12.856 824 HB3 SER 128 HB3 SER 128 11.845 -16.818 12.024 825 HHA HEM 129 HHA HEM 129 -6.155 17.451 -6.469 826 HHB HEM 129 HHB HEM 129 -2.130 12.450 -5.928 827 HHC HEM 129 HHC HEM 129 -5.380 10.407 -0.815 828 HHD HEM 129 HHD HEM 129 -9.445 15.407 -1.341 829 HAB HEM 129 HAB HEM 129 -2.536 9.777 -0.646 830 HAC HEM 129 HAC HEM 129 -10.481 13.667 0.134 831 HMA1 HEM 129 HMA1 HEM 129 -1.628 15.423 -8.362 832 HMA2 HEM 129 HMA2 HEM 129 -0.937 14.718 -6.902 833 HMA3 HEM 129 HMA3 HEM 129 -1.781 13.695 -8.068 834 HAA1 HEM 129 HAA1 HEM 129 -5.015 17.511 -8.134 835 HAA2 HEM 129 HAA2 HEM 129 -3.793 17.769 -7.306 836 HBA1 HEM 129 HBA1 HEM 129 -1.988 16.879 -8.622 837 HBA2 HEM 129 HBA2 HEM 129 -2.604 18.546 -8.539 838 HMB1 HEM 129 HMB1 HEM 129 -0.435 10.681 -3.882 839 HMB2 HEM 129 HMB2 HEM 129 -1.498 9.734 -5.119 840 HMB3 HEM 129 HMB3 HEM 129 -1.426 9.600 -3.599 841 HBB1 HEM 129 HBB1 HEM 129 -3.462 7.942 -2.892 842 HBB2 HEM 129 HBB2 HEM 129 -2.590 7.483 -1.302 843 HMC1 HEM 129 HMC1 HEM 129 -8.044 10.046 0.494 844 HMC2 HEM 129 HMC2 HEM 129 -6.468 10.606 1.072 845 HMC3 HEM 129 HMC3 HEM 129 -8.000 11.263 1.750 846 HBC1 HEM 129 HBC1 HEM 129 -10.393 13.555 2.501 847 HBC2 HEM 129 HBC2 HEM 129 -8.615 13.052 2.472 848 HMD1 HEM 129 HMD1 HEM 129 -10.430 17.216 -1.934 849 HMD2 HEM 129 HMD2 HEM 129 -10.586 18.396 -3.380 850 HMD3 HEM 129 HMD3 HEM 129 -9.426 18.248 -2.425 851 HAD1 HEM 129 HAD1 HEM 129 -9.189 18.007 -6.582 852 HAD2 HEM 129 HAD2 HEM 129 -9.593 18.423 -5.184 853 HBD1 HEM 129 HBD1 HEM 129 -8.384 20.320 -6.486 854 HBD2 HEM 129 HBD2 HEM 129 -7.482 20.003 -4.992 Start of MODEL 3 1 HA MET 21 HA MET 21 12.634 0.879 0.367 2 H1 MET 21 1H MET 21 10.093 1.536 1.261 3 HB2 MET 21 HB2 MET 21 12.310 -1.039 2.017 4 HB3 MET 21 HB3 MET 21 10.973 -1.576 1.011 5 HG2 MET 21 HG2 MET 21 12.448 -1.956 -0.838 6 HG3 MET 21 HG3 MET 21 13.808 -1.283 0.055 7 HE1 MET 21 HE3 MET 21 11.693 -5.229 1.236 8 HE2 MET 21 HE1 MET 21 10.956 -3.636 1.422 9 HE3 MET 21 HE2 MET 21 11.243 -4.290 -0.190 10 H ALA 22 HN ALA 22 12.250 -0.535 -1.797 11 HA ALA 22 HA ALA 22 9.603 0.213 -2.841 12 HB1 ALA 22 HB3 ALA 22 12.225 0.425 -4.325 13 HB2 ALA 22 HB1 ALA 22 10.628 0.734 -5.007 14 HB3 ALA 22 HB2 ALA 22 11.254 1.770 -3.724 15 H GLU 23 HN GLU 23 8.556 -1.700 -3.034 16 HA GLU 23 HA GLU 23 9.996 -4.004 -4.041 17 HB2 GLU 23 HB2 GLU 23 7.731 -5.132 -3.911 18 HB3 GLU 23 HB3 GLU 23 8.419 -4.596 -2.387 19 HG2 GLU 23 HG2 GLU 23 6.951 -2.669 -2.361 20 HG3 GLU 23 HG3 GLU 23 6.309 -3.109 -3.946 21 H GLN 24 HN GLN 24 7.090 -2.195 -5.032 22 HA GLN 24 HA GLN 24 6.633 -1.115 -6.967 23 HB2 GLN 24 HB2 GLN 24 8.971 -0.442 -6.877 24 HB3 GLN 24 HB3 GLN 24 9.447 -1.914 -7.706 25 HG2 GLN 24 HG2 GLN 24 8.178 -1.194 -9.673 26 HG3 GLN 24 HG3 GLN 24 7.740 0.291 -8.829 27 HE21 GLN 24 HE21 GLN 24 8.764 1.587 -10.371 28 HE22 GLN 24 HE22 GLN 24 10.485 1.686 -10.497 29 H SER 25 HN SER 25 8.629 -3.848 -8.062 30 HA SER 25 HA SER 25 6.469 -4.595 -9.933 31 HG SER 25 HG SER 25 9.432 -3.143 -11.552 32 HB2 SER 25 HB2 SER 25 9.460 -4.927 -10.312 33 HB3 SER 25 HB3 SER 25 8.211 -5.255 -11.508 34 H ASP 26 HN ASP 26 8.015 -5.485 -7.185 35 HA ASP 26 HA ASP 26 8.654 -8.218 -7.843 36 HB2 ASP 26 HB2 ASP 26 9.633 -6.486 -5.992 37 HB3 ASP 26 HB3 ASP 26 8.546 -7.453 -4.998 38 H GLU 27 HN GLU 27 7.519 -10.014 -7.358 39 HA GLU 27 HA GLU 27 4.778 -9.803 -7.648 40 HB2 GLU 27 HB2 GLU 27 6.291 -11.740 -8.236 41 HB3 GLU 27 HB3 GLU 27 6.195 -12.222 -6.548 42 HG2 GLU 27 HG2 GLU 27 3.820 -12.553 -6.723 43 HG3 GLU 27 HG3 GLU 27 3.819 -11.914 -8.368 44 H ALA 28 HN ALA 28 6.516 -10.875 -4.716 45 HA ALA 28 HA ALA 28 4.067 -11.162 -3.238 46 HB1 ALA 28 HB3 ALA 28 5.447 -11.861 -1.406 47 HB2 ALA 28 HB1 ALA 28 6.036 -12.611 -2.889 48 HB3 ALA 28 HB2 ALA 28 6.887 -11.228 -2.199 49 H VAL 29 HN VAL 29 3.160 -9.153 -3.290 50 HA VAL 29 HA VAL 29 4.158 -6.715 -2.476 51 HB VAL 29 HB VAL 29 1.375 -7.811 -1.963 52 HG11 VAL 29 HG11 VAL 29 1.816 -5.790 -0.664 53 HG12 VAL 29 HG12 VAL 29 2.340 -4.956 -2.125 54 HG13 VAL 29 HG13 VAL 29 0.663 -5.471 -1.959 55 HG21 VAL 29 HG23 VAL 29 2.389 -6.197 -4.304 56 HG22 VAL 29 HG21 VAL 29 2.105 -7.937 -4.327 57 HG23 VAL 29 HG22 VAL 29 0.758 -6.826 -4.077 58 H LYS 30 HN LYS 30 4.845 -5.893 -0.579 59 HA LYS 30 HA LYS 30 4.748 -7.407 1.823 60 HB2 LYS 30 HB2 LYS 30 6.522 -5.815 1.540 61 HB3 LYS 30 HB3 LYS 30 5.386 -4.496 1.311 62 HG2 LYS 30 HG2 LYS 30 6.336 -4.303 3.484 63 HG3 LYS 30 HG3 LYS 30 4.657 -4.806 3.676 64 HD2 LYS 30 HD2 LYS 30 5.420 -7.136 3.970 65 HD3 LYS 30 HD3 LYS 30 7.092 -6.585 3.833 66 HE2 LYS 30 HE2 LYS 30 6.738 -5.133 5.801 67 HE3 LYS 30 HE3 LYS 30 5.106 -5.783 5.961 68 HZ1 LYS 30 HZ3 LYS 30 7.685 -7.184 6.349 69 HZ2 LYS 30 HZ1 LYS 30 6.234 -8.034 6.109 70 HZ3 LYS 30 HZ2 LYS 30 6.404 -7.005 7.445 71 H TYR 31 HN TYR 31 3.293 -7.408 3.461 72 HA TYR 31 HA TYR 31 0.909 -5.742 3.056 73 HD1 TYR 31 HD2 TYR 31 -0.488 -7.249 1.426 74 HD2 TYR 31 HD1 TYR 31 1.747 -10.154 3.594 75 HE1 TYR 31 HE2 TYR 31 -0.503 -8.721 -0.544 76 HE2 TYR 31 HE1 TYR 31 1.744 -11.634 1.634 77 HH TYR 31 HH TYR 31 0.875 -10.594 -1.452 78 HB2 TYR 31 HB2 TYR 31 1.027 -8.268 4.692 79 HB3 TYR 31 HB3 TYR 31 -0.396 -7.435 4.082 80 H TYR 32 HN TYR 32 0.073 -4.545 4.736 81 HA TYR 32 HA TYR 32 1.512 -4.656 7.315 82 HD1 TYR 32 HD1 TYR 32 3.083 -2.279 7.990 83 HD2 TYR 32 HD2 TYR 32 1.239 -1.928 4.173 84 HE1 TYR 32 HE1 TYR 32 5.149 -1.284 7.088 85 HE2 TYR 32 HE2 TYR 32 3.302 -0.954 3.262 86 HH TYR 32 HH TYR 32 5.268 0.066 3.861 87 HB2 TYR 32 HB2 TYR 32 -0.078 -2.394 6.083 88 HB3 TYR 32 HB3 TYR 32 0.601 -2.361 7.703 89 H THR 33 HN THR 33 0.287 -4.990 9.176 90 HA THR 33 HA THR 33 -2.340 -6.076 8.873 91 HB THR 33 HB THR 33 -2.403 -5.788 11.421 92 HG1 THR 33 HG1 THR 33 0.358 -5.217 10.976 93 HG21 THR 33 HG23 THR 33 -0.903 -7.675 11.824 94 HG22 THR 33 HG21 THR 33 -0.161 -7.431 10.243 95 HG23 THR 33 HG22 THR 33 -1.849 -7.929 10.355 96 H LEU 34 HN LEU 34 -4.288 -5.176 10.026 97 HA LEU 34 HA LEU 34 -4.940 -2.532 9.628 98 HG LEU 34 HG LEU 34 -6.987 -1.749 10.954 99 HB2 LEU 34 HB2 LEU 34 -6.528 -4.247 10.358 100 HB3 LEU 34 HB3 LEU 34 -5.760 -4.317 11.927 101 HD11 LEU 34 HD11 LEU 34 -8.428 -4.001 12.348 102 HD12 LEU 34 HD12 LEU 34 -9.066 -2.382 12.055 103 HD13 LEU 34 HD13 LEU 34 -8.716 -3.449 10.696 104 HD21 LEU 34 HD23 LEU 34 -5.607 -1.638 12.912 105 HD22 LEU 34 HD21 LEU 34 -7.298 -1.414 13.366 106 HD23 LEU 34 HD22 LEU 34 -6.505 -2.959 13.665 107 H GLU 35 HN GLU 35 -3.224 -4.034 12.235 108 HA GLU 35 HA GLU 35 -3.067 -2.000 14.111 109 HB2 GLU 35 HB2 GLU 35 -0.986 -4.124 13.592 110 HB3 GLU 35 HB3 GLU 35 -1.291 -3.290 15.106 111 HG2 GLU 35 HG2 GLU 35 -3.498 -4.342 15.233 112 HG3 GLU 35 HG3 GLU 35 -3.168 -5.202 13.730 113 H GLU 36 HN GLU 36 -0.940 -2.753 11.414 114 HA GLU 36 HA GLU 36 1.117 -0.910 12.204 115 HB2 GLU 36 HB2 GLU 36 0.693 -2.594 9.726 116 HB3 GLU 36 HB3 GLU 36 2.110 -1.577 9.974 117 HG2 GLU 36 HG2 GLU 36 2.825 -2.860 11.815 118 HG3 GLU 36 HG3 GLU 36 1.284 -3.705 11.919 119 H ILE 37 HN ILE 37 -1.690 -0.794 10.196 120 HA ILE 37 HA ILE 37 -0.784 1.614 8.808 121 HB ILE 37 HB ILE 37 -3.299 -0.040 8.442 122 HG12 ILE 37 HG12 ILE 37 -0.816 0.242 6.731 123 HG13 ILE 37 HG13 ILE 37 -1.242 -1.166 7.700 124 HG21 ILE 37 HG21 ILE 37 -3.690 2.318 7.917 125 HG22 ILE 37 HG22 ILE 37 -2.323 2.301 6.807 126 HG23 ILE 37 HG23 ILE 37 -3.751 1.313 6.472 127 HD11 ILE 37 HD13 ILE 37 -3.212 -1.524 6.287 128 HD12 ILE 37 HD11 ILE 37 -2.768 -0.114 5.328 129 HD13 ILE 37 HD12 ILE 37 -1.720 -1.531 5.348 130 H GLN 38 HN GLN 38 -3.086 0.527 11.193 131 HA GLN 38 HA GLN 38 -4.679 2.861 11.411 132 HB2 GLN 38 HB2 GLN 38 -4.948 0.400 12.342 133 HB3 GLN 38 HB3 GLN 38 -4.143 1.075 13.749 134 HG2 GLN 38 HG2 GLN 38 -6.570 1.090 13.978 135 HG3 GLN 38 HG3 GLN 38 -5.894 2.720 14.008 136 HE21 GLN 38 HE21 GLN 38 -6.253 4.088 12.248 137 HE22 GLN 38 HE22 GLN 38 -7.512 3.788 11.104 138 H LYS 39 HN LYS 39 -1.583 1.983 12.562 139 HA LYS 39 HA LYS 39 -1.457 3.904 14.714 140 HB2 LYS 39 HB2 LYS 39 -0.238 1.557 14.352 141 HB3 LYS 39 HB3 LYS 39 0.970 2.593 13.603 142 HG2 LYS 39 HG2 LYS 39 1.231 3.859 15.631 143 HG3 LYS 39 HG3 LYS 39 -0.095 2.981 16.389 144 HD2 LYS 39 HD2 LYS 39 1.842 1.981 17.262 145 HD3 LYS 39 HD3 LYS 39 1.312 0.874 15.995 146 HE2 LYS 39 HE2 LYS 39 2.954 1.858 14.461 147 HE3 LYS 39 HE3 LYS 39 3.478 2.959 15.735 148 HZ1 LYS 39 HZ3 LYS 39 3.985 0.876 17.058 149 HZ2 LYS 39 HZ1 LYS 39 5.011 1.208 15.750 150 HZ3 LYS 39 HZ2 LYS 39 3.814 0.019 15.605 151 H HIS 40 HN HIS 40 -1.425 4.236 11.500 152 HA HIS 40 HA HIS 40 0.570 6.412 11.476 153 HD1 HIS 40 HD1 HIS 40 2.045 2.489 9.674 154 HD2 HIS 40 HD2 HIS 40 2.862 5.988 11.734 155 HE1 HIS 40 HE1 HIS 40 4.221 2.081 10.859 156 HE2 HIS 40 HE2 HIS 40 4.832 4.326 11.813 157 HB2 HIS 40 HB2 HIS 40 0.187 4.148 9.516 158 HB3 HIS 40 HB3 HIS 40 1.036 5.631 9.080 159 H ASN 41 HN ASN 41 -2.102 6.824 11.940 160 HA ASN 41 HA ASN 41 -3.162 7.808 9.361 161 HB2 ASN 41 HB2 ASN 41 -5.353 7.501 10.177 162 HB3 ASN 41 HB3 ASN 41 -4.476 6.060 10.675 163 HD21 ASN 41 HD21 ASN 41 -6.843 7.731 11.675 164 HD22 ASN 41 HD22 ASN 41 -6.558 7.868 13.376 165 H HIS 42 HN HIS 42 -1.294 9.224 11.184 166 HA HIS 42 HA HIS 42 -2.878 11.579 11.844 167 HD1 HIS 42 HD1 HIS 42 0.474 9.999 13.097 168 HD2 HIS 42 HD2 HIS 42 -2.481 8.273 15.452 169 HE1 HIS 42 HE1 HIS 42 1.540 7.980 14.129 170 HE2 HIS 42 HE2 HIS 42 -0.328 6.846 15.380 171 HB2 HIS 42 HB2 HIS 42 -1.955 11.546 14.219 172 HB3 HIS 42 HB3 HIS 42 -3.219 10.369 13.863 173 H SER 43 HN SER 43 -1.282 13.152 13.131 174 HA SER 43 HA SER 43 0.371 14.411 11.520 175 HG SER 43 HG SER 43 -0.603 15.944 13.846 176 HB2 SER 43 HB2 SER 43 1.221 13.938 14.375 177 HB3 SER 43 HB3 SER 43 1.391 15.408 13.408 178 H LYS 44 HN LYS 44 1.588 11.900 13.677 179 HA LYS 44 HA LYS 44 4.281 12.007 13.106 180 HB2 LYS 44 HB2 LYS 44 2.637 9.604 13.906 181 HB3 LYS 44 HB3 LYS 44 4.388 9.706 14.010 182 HG2 LYS 44 HG2 LYS 44 4.213 11.502 15.633 183 HG3 LYS 44 HG3 LYS 44 2.453 11.478 15.488 184 HD2 LYS 44 HD2 LYS 44 2.404 9.189 16.333 185 HD3 LYS 44 HD3 LYS 44 4.163 9.183 16.455 186 HE2 LYS 44 HE2 LYS 44 4.067 10.982 18.096 187 HE3 LYS 44 HE3 LYS 44 2.310 11.031 17.957 188 HZ1 LYS 44 HZ3 LYS 44 3.897 8.714 18.928 189 HZ2 LYS 44 HZ1 LYS 44 2.206 8.777 18.817 190 HZ3 LYS 44 HZ2 LYS 44 3.017 9.791 19.904 191 H SER 45 HN SER 45 1.779 10.553 11.210 192 HA SER 45 HA SER 45 3.309 10.125 8.931 193 HG SER 45 HG SER 45 3.991 8.343 7.953 194 HB2 SER 45 HB2 SER 45 4.206 8.237 10.493 195 HB3 SER 45 HB3 SER 45 2.641 7.485 10.229 196 H THR 46 HN THR 46 1.865 9.919 7.257 197 HA THR 46 HA THR 46 -0.901 9.337 8.054 198 HB THR 46 HB THR 46 0.046 11.334 5.982 199 HG1 THR 46 HG1 THR 46 0.211 12.351 7.884 200 HG21 THR 46 HG23 THR 46 -2.765 10.628 6.850 201 HG22 THR 46 HG21 THR 46 -2.060 10.307 5.267 202 HG23 THR 46 HG22 THR 46 -2.327 11.969 5.794 203 H TRP 47 HN TRP 47 -1.354 7.365 7.360 204 HA TRP 47 HA TRP 47 -0.849 6.782 4.518 205 HD1 TRP 47 HD1 TRP 47 1.409 6.821 5.307 206 HE1 TRP 47 HE1 TRP 47 3.699 5.764 5.815 207 HE3 TRP 47 HE3 TRP 47 -0.179 2.279 7.026 208 HZ2 TRP 47 HZ2 TRP 47 4.691 3.309 6.818 209 HZ3 TRP 47 HZ3 TRP 47 1.510 0.634 7.734 210 HH2 TRP 47 HH2 TRP 47 3.892 1.144 7.628 211 HB2 TRP 47 HB2 TRP 47 -1.322 4.824 6.786 212 HB3 TRP 47 HB3 TRP 47 -1.173 4.391 5.092 213 H LEU 48 HN LEU 48 -2.588 5.463 3.493 214 HA LEU 48 HA LEU 48 -5.065 5.160 4.932 215 HG LEU 48 HG LEU 48 -4.835 5.928 1.372 216 HB2 LEU 48 HB2 LEU 48 -6.528 6.255 3.415 217 HB3 LEU 48 HB3 LEU 48 -5.317 7.424 3.899 218 HD11 LEU 48 HD11 LEU 48 -7.227 6.527 1.265 219 HD12 LEU 48 HD12 LEU 48 -6.798 8.211 1.576 220 HD13 LEU 48 HD13 LEU 48 -6.254 7.418 0.096 221 HD21 LEU 48 HD23 LEU 48 -4.428 8.781 2.262 222 HD22 LEU 48 HD21 LEU 48 -3.192 7.526 2.142 223 HD23 LEU 48 HD22 LEU 48 -3.976 8.135 0.684 224 H ILE 49 HN ILE 49 -6.725 4.056 3.286 225 HA ILE 49 HA ILE 49 -5.160 2.278 1.532 226 HB ILE 49 HB ILE 49 -7.507 1.540 3.283 227 HG12 ILE 49 HG12 ILE 49 -4.641 0.561 3.161 228 HG13 ILE 49 HG13 ILE 49 -5.313 1.637 4.385 229 HG21 ILE 49 HG21 ILE 49 -7.777 0.476 1.117 230 HG22 ILE 49 HG22 ILE 49 -6.108 -0.094 1.168 231 HG23 ILE 49 HG23 ILE 49 -7.287 -0.722 2.317 232 HD11 ILE 49 HD13 ILE 49 -5.108 -0.651 5.190 233 HD12 ILE 49 HD11 ILE 49 -6.785 -0.110 5.162 234 HD13 ILE 49 HD12 ILE 49 -6.187 -1.198 3.907 235 H LEU 50 HN LEU 50 -5.655 2.456 -0.489 236 HA LEU 50 HA LEU 50 -8.412 3.182 -1.261 237 HG LEU 50 HG LEU 50 -6.469 5.565 -0.841 238 HB2 LEU 50 HB2 LEU 50 -5.792 3.942 -2.546 239 HB3 LEU 50 HB3 LEU 50 -7.337 4.117 -3.354 240 HD11 LEU 50 HD11 LEU 50 -6.533 7.539 -2.253 241 HD12 LEU 50 HD12 LEU 50 -5.410 6.350 -2.912 242 HD13 LEU 50 HD13 LEU 50 -7.004 6.552 -3.637 243 HD21 LEU 50 HD23 LEU 50 -8.564 6.741 -0.986 244 HD22 LEU 50 HD21 LEU 50 -9.018 5.830 -2.427 245 HD23 LEU 50 HD22 LEU 50 -8.880 5.011 -0.871 246 H HIS 51 HN HIS 51 -9.238 1.203 -1.765 247 HA HIS 51 HA HIS 51 -9.584 -0.743 -2.896 248 HD1 HIS 51 HD1 HIS 51 -10.605 -0.654 -6.525 249 HD2 HIS 51 HD2 HIS 51 -9.859 2.695 -4.171 250 HE1 HIS 51 HE1 HIS 51 -12.420 0.994 -7.090 251 HE2 HIS 51 HE2 HIS 51 -11.950 3.028 -5.676 252 HB2 HIS 51 HB2 HIS 51 -7.740 0.608 -4.881 253 HB3 HIS 51 HB3 HIS 51 -8.551 -0.918 -5.197 254 H HIS 52 HN HIS 52 -8.281 -1.512 -0.963 255 HA HIS 52 HA HIS 52 -6.921 -3.089 -0.088 256 HD1 HIS 52 HD1 HIS 52 -7.079 -4.919 -4.438 257 HD2 HIS 52 HD2 HIS 52 -8.644 -4.981 -0.577 258 HE1 HIS 52 HE1 HIS 52 -9.172 -6.311 -4.568 259 HE2 HIS 52 HE2 HIS 52 -10.136 -6.291 -2.242 260 HB2 HIS 52 HB2 HIS 52 -5.795 -3.453 -2.857 261 HB3 HIS 52 HB3 HIS 52 -5.555 -4.505 -1.485 262 H LYS 53 HN LYS 53 -5.215 -1.059 -2.472 263 HA LYS 53 HA LYS 53 -2.650 -1.464 -1.375 264 HB2 LYS 53 HB2 LYS 53 -3.617 0.829 -3.071 265 HB3 LYS 53 HB3 LYS 53 -1.938 0.421 -2.753 266 HG2 LYS 53 HG2 LYS 53 -3.921 -1.320 -4.199 267 HG3 LYS 53 HG3 LYS 53 -2.673 -0.332 -4.946 268 HD2 LYS 53 HD2 LYS 53 -0.970 -1.635 -3.681 269 HD3 LYS 53 HD3 LYS 53 -2.271 -2.695 -3.131 270 HE2 LYS 53 HE2 LYS 53 -2.803 -3.195 -5.506 271 HE3 LYS 53 HE3 LYS 53 -1.406 -2.230 -5.986 272 HZ1 LYS 53 HZ3 LYS 53 -0.002 -3.764 -4.701 273 HZ2 LYS 53 HZ1 LYS 53 -0.830 -4.552 -5.953 274 HZ3 LYS 53 HZ2 LYS 53 -1.363 -4.709 -4.345 275 H VAL 54 HN VAL 54 -1.460 -0.407 0.101 276 HA VAL 54 HA VAL 54 -2.734 1.792 1.567 277 HB VAL 54 HB VAL 54 -1.949 -0.054 2.975 278 HG11 VAL 54 HG11 VAL 54 0.424 -0.555 3.239 279 HG12 VAL 54 HG12 VAL 54 -0.153 -0.930 1.615 280 HG13 VAL 54 HG13 VAL 54 0.798 0.528 1.899 281 HG21 VAL 54 HG23 VAL 54 -0.196 2.370 3.343 282 HG22 VAL 54 HG21 VAL 54 -1.878 2.251 3.856 283 HG23 VAL 54 HG22 VAL 54 -0.655 1.209 4.586 284 H TYR 55 HN TYR 55 -1.825 3.802 1.612 285 HA TYR 55 HA TYR 55 0.511 4.177 -0.139 286 HD1 TYR 55 HD2 TYR 55 -3.184 3.944 -0.458 287 HD2 TYR 55 HD1 TYR 55 -0.408 5.973 -2.964 288 HE1 TYR 55 HE2 TYR 55 -4.231 2.924 -2.434 289 HE2 TYR 55 HE1 TYR 55 -1.444 4.955 -4.943 290 HH TYR 55 HH TYR 55 -2.798 3.079 -5.544 291 HB2 TYR 55 HB2 TYR 55 -1.834 6.038 0.274 292 HB3 TYR 55 HB3 TYR 55 -0.406 6.415 -0.676 293 H ASP 56 HN ASP 56 1.856 6.057 0.352 294 HA ASP 56 HA ASP 56 1.752 6.813 3.203 295 HB2 ASP 56 HB2 ASP 56 3.719 5.353 2.484 296 HB3 ASP 56 HB3 ASP 56 4.257 6.712 1.503 297 H LEU 57 HN LEU 57 1.712 9.039 3.651 298 HA LEU 57 HA LEU 57 2.325 10.807 1.366 299 HG LEU 57 HG LEU 57 -1.373 11.492 1.565 300 HB2 LEU 57 HB2 LEU 57 0.270 11.411 3.477 301 HB3 LEU 57 HB3 LEU 57 0.698 12.426 2.134 302 HD11 LEU 57 HD11 LEU 57 0.713 9.830 0.174 303 HD12 LEU 57 HD12 LEU 57 -0.924 10.147 -0.402 304 HD13 LEU 57 HD13 LEU 57 0.234 11.469 -0.259 305 HD21 LEU 57 HD23 LEU 57 -0.310 8.760 2.238 306 HD22 LEU 57 HD21 LEU 57 -1.391 9.712 3.251 307 HD23 LEU 57 HD22 LEU 57 -1.930 9.154 1.667 308 H THR 58 HN THR 58 3.840 9.826 3.815 309 HA THR 58 HA THR 58 3.805 11.741 5.861 310 HB THR 58 HB THR 58 6.093 9.890 5.230 311 HG1 THR 58 HG1 THR 58 4.351 8.566 5.397 312 HG21 THR 58 HG23 THR 58 6.601 11.561 6.949 313 HG22 THR 58 HG21 THR 58 6.479 9.947 7.653 314 HG23 THR 58 HG22 THR 58 5.150 11.093 7.837 315 H LYS 59 HN LYS 59 5.515 11.796 2.855 316 HA LYS 59 HA LYS 59 6.938 14.244 3.628 317 HB2 LYS 59 HB2 LYS 59 7.085 12.364 1.321 318 HB3 LYS 59 HB3 LYS 59 7.453 14.050 0.999 319 HG2 LYS 59 HG2 LYS 59 9.072 13.783 3.040 320 HG3 LYS 59 HG3 LYS 59 8.946 12.063 2.646 321 HD2 LYS 59 HD2 LYS 59 10.849 13.048 1.486 322 HD3 LYS 59 HD3 LYS 59 9.612 12.568 0.325 323 HE2 LYS 59 HE2 LYS 59 10.401 14.723 -0.325 324 HE3 LYS 59 HE3 LYS 59 8.785 14.925 0.343 325 HZ1 LYS 59 HZ3 LYS 59 9.853 16.594 1.426 326 HZ2 LYS 59 HZ1 LYS 59 11.358 15.810 1.402 327 HZ3 LYS 59 HZ2 LYS 59 10.180 15.346 2.528 328 H PHE 60 HN PHE 60 4.281 13.019 1.783 329 HA PHE 60 HA PHE 60 3.926 15.030 -0.130 330 HD1 PHE 60 HD2 PHE 60 3.788 14.546 -1.980 331 HD2 PHE 60 HD1 PHE 60 -0.040 13.110 -0.814 332 HE1 PHE 60 HE2 PHE 60 2.924 15.053 -4.222 333 HE2 PHE 60 HE1 PHE 60 -0.914 13.613 -3.061 334 HZ PHE 60 HZ PHE 60 0.572 14.579 -4.769 335 HB2 PHE 60 HB2 PHE 60 3.024 12.562 0.051 336 HB3 PHE 60 HB3 PHE 60 1.634 13.354 0.782 337 H LEU 61 HN LEU 61 3.240 15.055 3.118 338 HA LEU 61 HA LEU 61 0.754 16.148 3.501 339 HG LEU 61 HG LEU 61 2.868 14.305 4.953 340 HB2 LEU 61 HB2 LEU 61 3.273 16.718 5.066 341 HB3 LEU 61 HB3 LEU 61 1.639 16.974 5.644 342 HD11 LEU 61 HD11 LEU 61 2.162 15.554 7.597 343 HD12 LEU 61 HD12 LEU 61 2.736 13.902 7.364 344 HD13 LEU 61 HD13 LEU 61 3.785 15.266 6.974 345 HD21 LEU 61 HD23 LEU 61 0.141 15.004 6.034 346 HD22 LEU 61 HD21 LEU 61 0.512 14.233 4.491 347 HD23 LEU 61 HD22 LEU 61 0.828 13.379 6.000 348 H GLU 62 HN GLU 62 3.660 17.779 2.483 349 HA GLU 62 HA GLU 62 2.393 20.406 2.859 350 HB2 GLU 62 HB2 GLU 62 4.712 21.303 2.676 351 HB3 GLU 62 HB3 GLU 62 4.486 20.209 4.027 352 HG2 GLU 62 HG2 GLU 62 5.577 18.427 2.793 353 HG3 GLU 62 HG3 GLU 62 5.756 19.486 1.395 354 H GLU 63 HN GLU 63 2.829 18.198 0.485 355 HA GLU 63 HA GLU 63 3.309 20.188 -1.640 356 HB2 GLU 63 HB2 GLU 63 3.955 17.232 -1.616 357 HB3 GLU 63 HB3 GLU 63 4.245 18.325 -2.963 358 HG2 GLU 63 HG2 GLU 63 5.775 19.630 -1.516 359 HG3 GLU 63 HG3 GLU 63 5.535 18.435 -0.243 360 H HIS 64 HN HIS 64 1.126 18.023 -0.275 361 HA HIS 64 HA HIS 64 -0.413 17.614 -2.654 362 HD1 HIS 64 HD1 HIS 64 -3.460 16.789 0.546 363 HD2 HIS 64 HD2 HIS 64 -2.197 14.909 -2.994 364 HE1 HIS 64 HE1 HIS 64 -5.481 15.541 -0.387 365 HB2 HIS 64 HB3 HIS 64 -0.263 15.859 -0.954 366 HB3 HIS 64 HB2 HIS 64 -0.957 16.904 0.243 367 HA PRO 65 HA PRO 65 -2.648 21.456 -2.861 368 HB2 PRO 65 HB2 PRO 65 -4.919 19.496 -2.957 369 HB3 PRO 65 HB3 PRO 65 -4.667 20.960 -3.919 370 HG2 PRO 65 HG2 PRO 65 -4.059 18.544 -4.890 371 HG3 PRO 65 HG3 PRO 65 -3.064 19.965 -5.257 372 HD2 PRO 65 HD2 PRO 65 -2.448 17.637 -3.573 373 HD3 PRO 65 HD3 PRO 65 -1.350 18.827 -4.295 374 H GLY 66 HN GLY 66 -4.104 18.975 -0.729 375 HA2 GLY 66 HA1 GLY 66 -5.546 21.075 0.710 376 HA3 GLY 66 HA2 GLY 66 -5.826 19.349 0.847 377 H GLY 67 HN GLY 67 -5.818 20.581 3.141 378 HA2 GLY 67 HA1 GLY 67 -3.176 20.935 4.257 379 HA3 GLY 67 HA2 GLY 67 -4.705 21.138 5.097 380 H GLU 68 HN GLU 68 -2.422 19.887 6.134 381 HA GLU 68 HA GLU 68 -2.323 17.115 5.952 382 HB2 GLU 68 HB2 GLU 68 -0.510 18.229 6.965 383 HB3 GLU 68 HB3 GLU 68 -1.546 19.107 8.072 384 HG2 GLU 68 HG2 GLU 68 -1.505 16.171 8.387 385 HG3 GLU 68 HG3 GLU 68 -0.016 17.031 8.785 386 H GLU 69 HN GLU 69 -4.315 19.191 7.896 387 HA GLU 69 HA GLU 69 -5.132 17.488 9.925 388 HB2 GLU 69 HB2 GLU 69 -7.008 19.102 10.212 389 HB3 GLU 69 HB3 GLU 69 -5.427 19.859 10.092 390 HG2 GLU 69 HG2 GLU 69 -5.844 20.503 7.817 391 HG3 GLU 69 HG3 GLU 69 -7.357 19.600 7.801 392 H VAL 70 HN VAL 70 -6.597 17.984 6.741 393 HA VAL 70 HA VAL 70 -8.950 16.486 7.543 394 HB VAL 70 HB VAL 70 -9.148 18.571 6.195 395 HG11 VAL 70 HG11 VAL 70 -7.984 16.888 3.977 396 HG12 VAL 70 HG12 VAL 70 -8.742 18.465 3.770 397 HG13 VAL 70 HG13 VAL 70 -7.255 18.320 4.704 398 HG21 VAL 70 HG23 VAL 70 -10.931 16.868 6.303 399 HG22 VAL 70 HG21 VAL 70 -10.933 17.772 4.790 400 HG23 VAL 70 HG22 VAL 70 -10.286 16.133 4.835 401 H LEU 71 HN LEU 71 -5.977 15.902 5.998 402 HA LEU 71 HA LEU 71 -6.635 13.631 4.470 403 HG LEU 71 HG LEU 71 -4.572 15.734 4.035 404 HB2 LEU 71 HB2 LEU 71 -4.137 14.309 6.033 405 HB3 LEU 71 HB3 LEU 71 -4.280 12.898 5.002 406 HD11 LEU 71 HD11 LEU 71 -2.308 15.348 4.801 407 HD12 LEU 71 HD12 LEU 71 -2.223 13.850 3.875 408 HD13 LEU 71 HD13 LEU 71 -2.349 15.396 3.039 409 HD21 LEU 71 HD23 LEU 71 -4.302 13.125 2.550 410 HD22 LEU 71 HD21 LEU 71 -5.784 14.063 2.721 411 HD23 LEU 71 HD22 LEU 71 -4.417 14.727 1.826 412 H ARG 72 HN ARG 72 -5.721 14.111 7.785 413 HA ARG 72 HA ARG 72 -5.467 11.500 8.667 414 HE ARG 72 HE ARG 72 -5.155 13.869 12.323 415 HB2 ARG 72 HB2 ARG 72 -6.156 14.054 10.100 416 HB3 ARG 72 HB3 ARG 72 -5.872 12.537 10.941 417 HG2 ARG 72 HG2 ARG 72 -3.639 12.518 10.457 418 HG3 ARG 72 HG3 ARG 72 -3.823 13.539 9.028 419 HD2 ARG 72 HD2 ARG 72 -2.747 14.588 11.094 420 HD3 ARG 72 HD3 ARG 72 -4.051 15.485 10.317 421 HH11 ARG 72 HH12 ARG 72 -3.049 16.651 12.025 422 HH12 ARG 72 HH11 ARG 72 -3.608 17.388 13.504 423 HH21 ARG 72 HH22 ARG 72 -5.870 14.804 14.282 424 HH22 ARG 72 HH21 ARG 72 -5.188 16.307 14.818 425 H GLU 73 HN GLU 73 -8.317 13.362 8.159 426 HA GLU 73 HA GLU 73 -9.980 12.171 10.133 427 HB2 GLU 73 HB2 GLU 73 -10.268 14.451 9.005 428 HB3 GLU 73 HB3 GLU 73 -10.910 13.572 7.624 429 HG2 GLU 73 HG2 GLU 73 -12.696 12.668 9.017 430 HG3 GLU 73 HG3 GLU 73 -12.045 13.524 10.413 431 H GLN 74 HN GLN 74 -9.217 11.499 6.822 432 HA GLN 74 HA GLN 74 -11.088 9.229 6.716 433 HB2 GLN 74 HB2 GLN 74 -9.622 10.853 4.667 434 HB3 GLN 74 HB3 GLN 74 -10.110 9.216 4.270 435 HG2 GLN 74 HG2 GLN 74 -11.751 10.690 3.423 436 HG3 GLN 74 HG3 GLN 74 -12.453 9.853 4.806 437 HE21 GLN 74 HE21 GLN 74 -12.956 11.019 6.658 438 HE22 GLN 74 HE22 GLN 74 -12.976 12.749 6.691 439 H ALA 75 HN ALA 75 -7.807 10.143 6.986 440 HA ALA 75 HA ALA 75 -6.514 7.909 5.897 441 HB1 ALA 75 HB3 ALA 75 -4.522 8.696 6.999 442 HB2 ALA 75 HB1 ALA 75 -5.414 10.078 6.360 443 HB3 ALA 75 HB2 ALA 75 -5.476 9.706 8.084 444 H GLY 76 HN GLY 76 -5.419 6.208 6.910 445 HA2 GLY 76 HA1 GLY 76 -5.123 4.935 9.031 446 HA3 GLY 76 HA2 GLY 76 -6.838 5.225 9.309 447 H GLY 77 HN GLY 77 -7.344 4.921 6.379 448 HA2 GLY 77 HA1 GLY 77 -6.753 2.936 4.881 449 HA3 GLY 77 HA2 GLY 77 -7.215 1.979 6.282 450 H ASP 78 HN ASP 78 -8.489 1.567 3.885 451 HA ASP 78 HA ASP 78 -10.591 1.282 3.019 452 HB2 ASP 78 HB2 ASP 78 -10.569 0.757 5.787 453 HB3 ASP 78 HB3 ASP 78 -12.077 1.607 5.468 454 H ALA 79 HN ALA 79 -9.791 3.877 2.690 455 HA ALA 79 HA ALA 79 -12.130 5.527 3.408 456 HB1 ALA 79 HB3 ALA 79 -10.184 6.172 4.708 457 HB2 ALA 79 HB1 ALA 79 -9.246 6.380 3.228 458 HB3 ALA 79 HB2 ALA 79 -10.619 7.437 3.564 459 H THR 80 HN THR 80 -12.277 4.159 1.139 460 HA THR 80 HA THR 80 -11.104 5.711 -1.018 461 HB THR 80 HB THR 80 -11.043 3.198 -1.015 462 HG1 THR 80 HG1 THR 80 -12.319 4.522 -3.209 463 HG21 THR 80 HG23 THR 80 -13.057 1.995 -1.741 464 HG22 THR 80 HG21 THR 80 -13.984 3.492 -1.643 465 HG23 THR 80 HG22 THR 80 -13.308 2.777 -0.181 466 H GLU 81 HN GLU 81 -13.861 6.120 0.747 467 HA GLU 81 HA GLU 81 -15.916 6.346 -1.146 468 HB2 GLU 81 HB2 GLU 81 -16.303 6.508 1.301 469 HB3 GLU 81 HB3 GLU 81 -15.537 8.094 1.302 470 HG2 GLU 81 HG2 GLU 81 -17.268 8.941 -0.200 471 HG3 GLU 81 HG3 GLU 81 -18.031 7.355 -0.220 472 H ASN 82 HN ASN 82 -13.800 8.855 0.124 473 HA ASN 82 HA ASN 82 -14.494 11.030 -1.406 474 HB2 ASN 82 HB2 ASN 82 -12.984 11.253 0.453 475 HB3 ASN 82 HB3 ASN 82 -11.806 10.186 -0.304 476 HD21 ASN 82 HD21 ASN 82 -13.168 13.387 -0.263 477 HD22 ASN 82 HD22 ASN 82 -11.961 14.126 -1.256 478 H PHE 83 HN PHE 83 -12.485 8.339 -2.201 479 HA PHE 83 HA PHE 83 -11.182 9.445 -4.472 480 HD1 PHE 83 HD1 PHE 83 -8.741 8.830 -4.686 481 HD2 PHE 83 HD2 PHE 83 -10.914 5.252 -5.450 482 HE1 PHE 83 HE1 PHE 83 -7.151 8.260 -6.477 483 HE2 PHE 83 HE2 PHE 83 -9.338 4.671 -7.238 484 HZ PHE 83 HZ PHE 83 -7.450 6.172 -7.758 485 HB2 PHE 83 HB2 PHE 83 -10.312 7.637 -2.969 486 HB3 PHE 83 HB3 PHE 83 -11.506 6.551 -3.667 487 H GLU 84 HN GLU 84 -14.065 7.601 -3.911 488 HA GLU 84 HA GLU 84 -14.523 7.025 -6.720 489 HB2 GLU 84 HB2 GLU 84 -16.355 6.574 -4.361 490 HB3 GLU 84 HB3 GLU 84 -16.485 5.839 -5.950 491 HG2 GLU 84 HG2 GLU 84 -14.262 5.360 -3.984 492 HG3 GLU 84 HG3 GLU 84 -15.642 4.298 -4.247 493 H ASP 85 HN ASP 85 -15.621 9.130 -4.188 494 HA ASP 85 HA ASP 85 -18.183 9.735 -5.293 495 HB2 ASP 85 HB2 ASP 85 -17.841 9.654 -2.883 496 HB3 ASP 85 HB3 ASP 85 -16.671 10.968 -2.979 497 H VAL 86 HN VAL 86 -15.365 11.826 -4.639 498 HA VAL 86 HA VAL 86 -16.495 13.768 -6.523 499 HB VAL 86 HB VAL 86 -16.006 14.621 -4.270 500 HG11 VAL 86 HG11 VAL 86 -14.184 13.173 -3.648 501 HG12 VAL 86 HG12 VAL 86 -13.145 13.895 -4.875 502 HG13 VAL 86 HG13 VAL 86 -13.685 14.857 -3.498 503 HG21 VAL 86 HG23 VAL 86 -15.884 16.179 -6.107 504 HG22 VAL 86 HG21 VAL 86 -14.659 16.570 -4.900 505 HG23 VAL 86 HG22 VAL 86 -14.194 15.753 -6.392 506 H GLY 87 HN GLY 87 -13.684 11.787 -5.871 507 HA2 GLY 87 HA1 GLY 87 -12.488 10.683 -7.520 508 HA3 GLY 87 HA2 GLY 87 -13.210 11.741 -8.719 509 H HIS 88 HN HIS 88 -10.470 10.836 -8.294 510 HA HIS 88 HA HIS 88 -9.109 13.427 -8.150 511 HD1 HIS 88 HD1 HIS 88 -8.891 10.523 -5.500 512 HD2 HIS 88 HD2 HIS 88 -6.115 13.441 -6.573 513 HE1 HIS 88 HE1 HIS 88 -7.811 11.334 -3.332 514 HB2 HIS 88 HB2 HIS 88 -8.172 10.562 -8.089 515 HB3 HIS 88 HB3 HIS 88 -7.065 11.838 -8.571 516 H SER 89 HN SER 89 -7.902 14.144 -10.058 517 HA SER 89 HA SER 89 -9.224 13.167 -12.463 518 HG SER 89 HG SER 89 -7.945 16.454 -11.117 519 HB2 SER 89 HB2 SER 89 -8.088 15.194 -13.508 520 HB3 SER 89 HB3 SER 89 -9.352 15.499 -12.321 521 H THR 90 HN THR 90 -7.413 13.790 -14.437 522 HA THR 90 HA THR 90 -5.812 11.414 -14.333 523 HB THR 90 HB THR 90 -5.807 13.491 -16.529 524 HG1 THR 90 HG1 THR 90 -7.644 12.610 -17.282 525 HG21 THR 90 HG23 THR 90 -5.196 11.615 -17.951 526 HG22 THR 90 HG21 THR 90 -5.322 10.505 -16.581 527 HG23 THR 90 HG22 THR 90 -4.059 11.735 -16.610 528 H ASP 91 HN ASP 91 -4.633 12.411 -12.420 529 HA ASP 91 HA ASP 91 -1.966 12.849 -13.406 530 HB2 ASP 91 HB2 ASP 91 -2.762 15.195 -13.137 531 HB3 ASP 91 HB3 ASP 91 -3.124 14.859 -11.445 532 H ALA 92 HN ALA 92 -3.911 13.120 -10.490 533 HA ALA 92 HA ALA 92 -2.195 11.866 -8.679 534 HB1 ALA 92 HB3 ALA 92 -5.207 11.874 -8.594 535 HB2 ALA 92 HB1 ALA 92 -4.096 11.716 -7.231 536 HB3 ALA 92 HB2 ALA 92 -4.191 13.234 -8.120 537 H ARG 93 HN ARG 93 -4.159 10.567 -11.163 538 HA ARG 93 HA ARG 93 -4.528 7.914 -10.326 539 HE ARG 93 HE ARG 93 -4.835 7.633 -14.359 540 HB2 ARG 93 HB2 ARG 93 -4.094 9.147 -13.042 541 HB3 ARG 93 HB3 ARG 93 -4.456 7.444 -12.822 542 HG2 ARG 93 HG2 ARG 93 -6.606 8.006 -11.859 543 HG3 ARG 93 HG3 ARG 93 -6.228 9.729 -12.004 544 HD2 ARG 93 HD2 ARG 93 -7.578 8.384 -13.889 545 HD3 ARG 93 HD3 ARG 93 -6.530 9.754 -14.253 546 HH11 ARG 93 HH12 ARG 93 -7.959 8.157 -15.873 547 HH12 ARG 93 HH11 ARG 93 -7.505 7.360 -17.347 548 HH21 ARG 93 HH22 ARG 93 -4.235 6.603 -16.257 549 HH22 ARG 93 HH21 ARG 93 -5.347 6.502 -17.593 550 H GLU 94 HN GLU 94 -1.779 9.633 -11.585 551 HA GLU 94 HA GLU 94 -0.397 7.118 -12.243 552 HB2 GLU 94 HB2 GLU 94 0.192 9.842 -13.404 553 HB3 GLU 94 HB3 GLU 94 0.695 8.274 -14.017 554 HG2 GLU 94 HG2 GLU 94 -2.138 9.274 -13.953 555 HG3 GLU 94 HG3 GLU 94 -1.076 9.326 -15.355 556 H MET 95 HN MET 95 -0.277 10.195 -10.731 557 HA MET 95 HA MET 95 2.428 10.315 -9.935 558 HB2 MET 95 HB2 MET 95 0.924 12.247 -9.934 559 HB3 MET 95 HB3 MET 95 -0.066 11.494 -8.697 560 HG2 MET 95 HG2 MET 95 1.234 13.098 -7.597 561 HG3 MET 95 HG3 MET 95 1.980 11.544 -7.211 562 HE1 MET 95 HE3 MET 95 3.579 14.606 -10.248 563 HE2 MET 95 HE1 MET 95 2.228 13.534 -10.618 564 HE3 MET 95 HE2 MET 95 2.073 14.737 -9.339 565 H SER 96 HN SER 96 -0.450 8.917 -8.567 566 HA SER 96 HA SER 96 0.577 8.564 -5.951 567 HG SER 96 HG SER 96 -2.575 9.478 -6.605 568 HB2 SER 96 HB2 SER 96 -1.917 7.686 -7.338 569 HB3 SER 96 HB3 SER 96 -1.570 7.203 -5.672 570 H LYS 97 HN LYS 97 1.029 6.849 -8.756 571 HA LYS 97 HA LYS 97 0.910 4.138 -8.046 572 HB2 LYS 97 HB2 LYS 97 2.794 5.430 -10.025 573 HB3 LYS 97 HB3 LYS 97 2.294 3.747 -10.005 574 HG2 LYS 97 HG2 LYS 97 0.370 6.015 -10.392 575 HG3 LYS 97 HG3 LYS 97 1.209 5.224 -11.723 576 HD2 LYS 97 HD2 LYS 97 -0.105 3.355 -9.909 577 HD3 LYS 97 HD3 LYS 97 -1.217 4.483 -10.689 578 HE2 LYS 97 HE2 LYS 97 -1.112 2.679 -12.166 579 HE3 LYS 97 HE3 LYS 97 -0.021 3.874 -12.865 580 HZ1 LYS 97 HZ3 LYS 97 1.835 2.656 -11.769 581 HZ2 LYS 97 HZ1 LYS 97 1.025 1.746 -12.945 582 HZ3 LYS 97 HZ2 LYS 97 0.725 1.458 -11.311 583 H THR 98 HN THR 98 3.333 6.556 -7.440 584 HA THR 98 HA THR 98 5.268 4.550 -6.540 585 HB THR 98 HB THR 98 6.636 6.807 -6.263 586 HG1 THR 98 HG1 THR 98 5.508 8.443 -7.004 587 HG21 THR 98 HG23 THR 98 6.061 5.463 -8.909 588 HG22 THR 98 HG21 THR 98 7.287 4.993 -7.737 589 HG23 THR 98 HG22 THR 98 7.432 6.527 -8.594 590 H PHE 99 HN PHE 99 2.719 5.859 -5.212 591 HA PHE 99 HA PHE 99 4.007 6.375 -2.615 592 HD1 PHE 99 HD1 PHE 99 3.685 8.662 -1.364 593 HD2 PHE 99 HD2 PHE 99 1.745 8.865 -5.139 594 HE1 PHE 99 HE1 PHE 99 4.635 10.903 -1.721 595 HE2 PHE 99 HE2 PHE 99 2.684 11.111 -5.503 596 HZ PHE 99 HZ PHE 99 4.132 12.133 -3.795 597 HB2 PHE 99 HB2 PHE 99 1.280 7.088 -3.699 598 HB3 PHE 99 HB3 PHE 99 1.680 7.212 -1.988 599 H ILE 100 HN ILE 100 2.460 4.062 -4.442 600 HA ILE 100 HA ILE 100 0.995 2.676 -2.427 601 HB ILE 100 HB ILE 100 2.067 1.581 -5.040 602 HG12 ILE 100 HG12 ILE 100 -0.615 2.822 -4.412 603 HG13 ILE 100 HG13 ILE 100 0.649 3.549 -5.400 604 HG21 ILE 100 HG21 ILE 100 1.424 -0.187 -3.522 605 HG22 ILE 100 HG22 ILE 100 -0.124 0.596 -3.212 606 HG23 ILE 100 HG23 ILE 100 0.229 -0.059 -4.812 607 HD11 ILE 100 HD13 ILE 100 0.433 1.694 -6.993 608 HD12 ILE 100 HD11 ILE 100 -0.877 1.035 -6.014 609 HD13 ILE 100 HD12 ILE 100 -1.068 2.603 -6.797 610 H ILE 101 HN ILE 101 2.232 2.185 -0.686 611 HA ILE 101 HA ILE 101 4.946 1.231 -1.010 612 HB ILE 101 HB ILE 101 4.984 1.254 1.488 613 HG12 ILE 101 HG12 ILE 101 2.205 2.408 1.162 614 HG13 ILE 101 HG13 ILE 101 2.588 0.848 1.876 615 HG21 ILE 101 HG21 ILE 101 5.759 3.183 0.272 616 HG22 ILE 101 HG22 ILE 101 4.107 3.785 0.113 617 HG23 ILE 101 HG23 ILE 101 4.871 3.705 1.700 618 HD11 ILE 101 HD13 ILE 101 3.815 1.987 3.662 619 HD12 ILE 101 HD11 ILE 101 3.387 3.541 2.949 620 HD13 ILE 101 HD12 ILE 101 2.126 2.487 3.588 621 H GLY 102 HN GLY 102 1.839 -0.130 -0.578 622 HA2 GLY 102 HA1 GLY 102 2.612 -2.710 -1.112 623 HA3 GLY 102 HA2 GLY 102 2.697 -2.571 0.639 624 H GLU 103 HN GLU 103 0.992 -4.060 0.920 625 HA GLU 103 HA GLU 103 -1.626 -2.804 0.493 626 HB2 GLU 103 HB2 GLU 103 -0.781 -5.478 -0.459 627 HB3 GLU 103 HB3 GLU 103 -2.387 -5.360 0.250 628 HG2 GLU 103 HG2 GLU 103 -2.869 -3.493 -1.328 629 HG3 GLU 103 HG3 GLU 103 -1.316 -3.820 -2.098 630 H LEU 104 HN LEU 104 -3.206 -4.726 1.539 631 HA LEU 104 HA LEU 104 -2.787 -4.318 4.366 632 HG LEU 104 HG LEU 104 -5.441 -5.587 5.400 633 HB2 LEU 104 HB2 LEU 104 -4.910 -4.033 2.893 634 HB3 LEU 104 HB3 LEU 104 -5.071 -5.766 3.078 635 HD11 LEU 104 HD11 LEU 104 -3.700 -3.942 5.899 636 HD12 LEU 104 HD12 LEU 104 -4.698 -2.673 5.187 637 HD13 LEU 104 HD13 LEU 104 -5.238 -3.509 6.642 638 HD21 LEU 104 HD23 LEU 104 -6.850 -3.297 4.034 639 HD22 LEU 104 HD21 LEU 104 -7.339 -4.989 3.977 640 HD23 LEU 104 HD22 LEU 104 -7.374 -4.109 5.509 641 H HIS 105 HN HIS 105 -2.957 -6.096 5.921 642 HA HIS 105 HA HIS 105 -1.147 -8.157 5.362 643 HD1 HIS 105 HD1 HIS 105 -1.797 -10.529 8.650 644 HD2 HIS 105 HD2 HIS 105 0.690 -7.409 7.425 645 HE1 HIS 105 HE1 HIS 105 0.502 -11.109 9.487 646 HE2 HIS 105 HE2 HIS 105 1.906 -9.072 8.987 647 HB2 HIS 105 HB2 HIS 105 -2.303 -7.136 7.615 648 HB3 HIS 105 HB3 HIS 105 -3.059 -8.722 7.514 649 HA PRO 106 HA PRO 106 -3.210 -11.564 3.404 650 HB2 PRO 106 HB2 PRO 106 -2.432 -13.119 5.821 651 HB3 PRO 106 HB3 PRO 106 -2.207 -13.507 4.115 652 HG2 PRO 106 HG2 PRO 106 -0.204 -12.595 5.676 653 HG3 PRO 106 HG3 PRO 106 -0.303 -12.251 3.940 654 HD2 PRO 106 HD2 PRO 106 -0.702 -10.454 6.229 655 HD3 PRO 106 HD3 PRO 106 -0.348 -10.067 4.536 656 H ASP 107 HN ASP 107 -3.913 -10.708 6.668 657 HA ASP 107 HA ASP 107 -6.232 -12.480 6.850 658 HB2 ASP 107 HB2 ASP 107 -5.226 -10.664 9.022 659 HB3 ASP 107 HB3 ASP 107 -6.060 -12.206 9.180 660 H ASP 108 HN ASP 108 -5.358 -9.251 6.308 661 HA ASP 108 HA ASP 108 -7.945 -8.130 7.178 662 HB2 ASP 108 HB2 ASP 108 -5.293 -6.807 6.537 663 HB3 ASP 108 HB3 ASP 108 -6.751 -5.949 7.017 664 H ARG 109 HN ARG 109 -5.832 -8.691 4.563 665 HA ARG 109 HA ARG 109 -6.708 -6.825 2.653 666 HE ARG 109 HE ARG 109 -3.799 -7.330 -1.424 667 HB2 ARG 109 HB2 ARG 109 -4.519 -8.070 2.712 668 HB3 ARG 109 HB3 ARG 109 -5.380 -9.501 2.192 669 HG2 ARG 109 HG2 ARG 109 -6.025 -8.280 0.123 670 HG3 ARG 109 HG3 ARG 109 -4.969 -6.960 0.639 671 HD2 ARG 109 HD2 ARG 109 -3.114 -8.653 0.799 672 HD3 ARG 109 HD3 ARG 109 -4.201 -9.806 0.032 673 HH11 ARG 109 HH12 ARG 109 -2.746 -10.644 -0.920 674 HH12 ARG 109 HH11 ARG 109 -1.939 -10.741 -2.452 675 HH21 ARG 109 HH22 ARG 109 -2.704 -7.457 -3.409 676 HH22 ARG 109 HH21 ARG 109 -1.933 -8.947 -3.882 677 HA PRO 110 HA PRO 110 -9.583 -10.279 1.013 678 HB2 PRO 110 HB2 PRO 110 -9.679 -12.456 2.928 679 HB3 PRO 110 HB3 PRO 110 -9.186 -12.496 1.233 680 HG2 PRO 110 HG2 PRO 110 -7.449 -12.878 3.288 681 HG3 PRO 110 HG3 PRO 110 -6.977 -12.180 1.730 682 HD2 PRO 110 HD2 PRO 110 -7.616 -10.786 4.307 683 HD3 PRO 110 HD3 PRO 110 -6.281 -10.494 3.171 684 H LYS 111 HN LYS 111 -9.420 -9.687 4.425 685 HA LYS 111 HA LYS 111 -10.929 -9.134 6.015 686 HB2 LYS 111 HB2 LYS 111 -12.785 -8.683 3.668 687 HB3 LYS 111 HB3 LYS 111 -13.100 -8.173 5.319 688 HG2 LYS 111 HG2 LYS 111 -11.131 -6.708 5.237 689 HG3 LYS 111 HG3 LYS 111 -10.842 -7.214 3.571 690 HD2 LYS 111 HD2 LYS 111 -13.022 -6.309 2.912 691 HD3 LYS 111 HD3 LYS 111 -13.317 -5.803 4.574 692 HE2 LYS 111 HE2 LYS 111 -10.966 -4.850 2.946 693 HE3 LYS 111 HE3 LYS 111 -12.508 -3.999 3.000 694 HZ1 LYS 111 HZ3 LYS 111 -11.198 -2.953 4.597 695 HZ2 LYS 111 HZ1 LYS 111 -10.568 -4.421 5.190 696 HZ3 LYS 111 HZ2 LYS 111 -12.174 -4.006 5.502 697 H LEU 112 HN LEU 112 -13.174 -10.594 3.692 698 HA LEU 112 HA LEU 112 -13.993 -12.525 5.724 699 HG LEU 112 HG LEU 112 -15.676 -13.913 3.107 700 HB2 LEU 112 HB2 LEU 112 -15.846 -11.415 4.796 701 HB3 LEU 112 HB3 LEU 112 -15.205 -11.511 3.171 702 HD11 LEU 112 HD11 LEU 112 -15.407 -14.446 5.468 703 HD12 LEU 112 HD12 LEU 112 -16.854 -13.512 5.858 704 HD13 LEU 112 HD13 LEU 112 -16.986 -14.976 4.882 705 HD21 LEU 112 HD23 LEU 112 -17.376 -12.301 2.367 706 HD22 LEU 112 HD21 LEU 112 -18.086 -13.780 3.013 707 HD23 LEU 112 HD22 LEU 112 -18.072 -12.309 3.986 708 H ASN 113 HN ASN 113 -13.138 -12.460 2.263 709 HA ASN 113 HA ASN 113 -11.656 -14.919 2.508 710 HB2 ASN 113 HB2 ASN 113 -13.941 -15.806 2.372 711 HB3 ASN 113 HB3 ASN 113 -14.244 -14.867 0.922 712 HD21 ASN 113 HD21 ASN 113 -12.698 -17.673 2.243 713 HD22 ASN 113 HD22 ASN 113 -12.325 -18.429 0.735 714 H LYS 114 HN LYS 114 -12.019 -11.979 1.251 715 HA LYS 114 HA LYS 114 -11.521 -10.796 -0.601 716 HB2 LYS 114 HB2 LYS 114 -9.268 -11.548 -0.317 717 HB3 LYS 114 HB3 LYS 114 -9.644 -13.137 -0.964 718 HG2 LYS 114 HG2 LYS 114 -10.080 -12.003 -3.169 719 HG3 LYS 114 HG3 LYS 114 -9.386 -10.545 -2.452 720 HD2 LYS 114 HD2 LYS 114 -7.805 -12.062 -3.783 721 HD3 LYS 114 HD3 LYS 114 -7.273 -11.540 -2.184 722 HE2 LYS 114 HE2 LYS 114 -6.875 -13.957 -2.669 723 HE3 LYS 114 HE3 LYS 114 -7.844 -13.651 -1.227 724 HZ1 LYS 114 HZ3 LYS 114 -8.914 -15.380 -2.355 725 HZ2 LYS 114 HZ1 LYS 114 -8.764 -14.640 -3.869 726 HZ3 LYS 114 HZ2 LYS 114 -9.837 -14.010 -2.716 727 HA PRO 115 HA PRO 115 -14.681 -13.486 -2.662 728 HB2 PRO 115 HB2 PRO 115 -16.470 -11.454 -3.047 729 HB3 PRO 115 HB3 PRO 115 -16.398 -12.419 -1.569 730 HG2 PRO 115 HG2 PRO 115 -15.257 -9.708 -2.121 731 HG3 PRO 115 HG3 PRO 115 -16.094 -10.297 -0.674 732 HD2 PRO 115 HD2 PRO 115 -13.405 -10.081 -0.790 733 HD3 PRO 115 HD3 PRO 115 -14.212 -11.368 0.131 734 HA PRO 116 HA PRO 116 -13.045 -12.276 -6.690 735 HB2 PRO 116 HB2 PRO 116 -15.142 -14.219 -7.539 736 HB3 PRO 116 HB3 PRO 116 -13.429 -14.144 -7.982 737 HG2 PRO 116 HG2 PRO 116 -14.302 -15.982 -6.256 738 HG3 PRO 116 HG3 PRO 116 -12.739 -15.175 -6.023 739 HD2 PRO 116 HD2 PRO 116 -15.338 -14.707 -4.627 740 HD3 PRO 116 HD3 PRO 116 -13.686 -14.689 -3.978 741 H GLU 117 HN GLU 117 -16.501 -13.093 -6.622 742 HA GLU 117 HA GLU 117 -17.521 -10.535 -6.525 743 HB2 GLU 117 HB2 GLU 117 -16.484 -10.231 -8.763 744 HB3 GLU 117 HB3 GLU 117 -17.476 -11.545 -9.377 745 HG2 GLU 117 HG2 GLU 117 -19.490 -10.235 -8.732 746 HG3 GLU 117 HG3 GLU 117 -18.422 -8.893 -8.321 747 H THR 118 HN THR 118 -18.684 -12.830 -8.969 748 HA THR 118 HA THR 118 -21.097 -13.107 -7.330 749 HB THR 118 HB THR 118 -20.818 -13.907 -10.229 750 HG1 THR 118 HG1 THR 118 -20.286 -11.692 -10.059 751 HG21 THR 118 HG23 THR 118 -23.263 -13.500 -10.217 752 HG22 THR 118 HG21 THR 118 -23.172 -13.150 -8.493 753 HG23 THR 118 HG22 THR 118 -22.786 -14.766 -9.083 754 H LEU 119 HN LEU 119 -20.022 -14.681 -5.925 755 HA LEU 119 HA LEU 119 -19.975 -17.356 -7.162 756 HG LEU 119 HG LEU 119 -16.457 -17.605 -6.197 757 HB2 LEU 119 HB2 LEU 119 -18.143 -16.132 -5.165 758 HB3 LEU 119 HB3 LEU 119 -18.516 -17.836 -4.985 759 HD11 LEU 119 HD11 LEU 119 -18.663 -18.385 -8.093 760 HD12 LEU 119 HD12 LEU 119 -16.969 -18.858 -8.202 761 HD13 LEU 119 HD13 LEU 119 -17.957 -19.423 -6.856 762 HD21 LEU 119 HD23 LEU 119 -18.003 -15.893 -8.138 763 HD22 LEU 119 HD21 LEU 119 -16.712 -15.363 -7.058 764 HD23 LEU 119 HD22 LEU 119 -16.356 -16.476 -8.380 765 H ILE 120 HN ILE 120 -19.788 -16.604 -3.737 766 HA ILE 120 HA ILE 120 -22.342 -18.022 -3.373 767 HB ILE 120 HB ILE 120 -19.937 -17.989 -1.534 768 HG12 ILE 120 HG12 ILE 120 -19.616 -19.399 -3.527 769 HG13 ILE 120 HG13 ILE 120 -19.728 -20.369 -2.063 770 HG21 ILE 120 HG21 ILE 120 -22.568 -19.428 -1.240 771 HG22 ILE 120 HG22 ILE 120 -21.174 -19.607 -0.175 772 HG23 ILE 120 HG23 ILE 120 -22.015 -18.062 -0.275 773 HD11 ILE 120 HD13 ILE 120 -20.937 -21.372 -3.927 774 HD12 ILE 120 HD11 ILE 120 -22.028 -20.941 -2.609 775 HD13 ILE 120 HD12 ILE 120 -21.943 -19.931 -4.051 776 H THR 121 HN THR 121 -23.914 -16.885 -2.476 777 HA THR 121 HA THR 121 -23.206 -14.671 -0.674 778 HB THR 121 HB THR 121 -23.931 -13.765 -2.855 779 HG1 THR 121 HG1 THR 121 -25.402 -12.312 -1.968 780 HG21 THR 121 HG23 THR 121 -26.515 -15.215 -2.270 781 HG22 THR 121 HG21 THR 121 -25.411 -15.531 -3.612 782 HG23 THR 121 HG22 THR 121 -26.298 -14.008 -3.537 783 H THR 122 HN THR 122 -24.859 -14.196 0.928 784 HA THR 122 HA THR 122 -26.269 -16.656 1.706 785 HB THR 122 HB THR 122 -25.599 -14.382 3.566 786 HG1 THR 122 HG1 THR 122 -23.906 -16.254 2.411 787 HG21 THR 122 HG23 THR 122 -26.134 -17.331 3.935 788 HG22 THR 122 HG21 THR 122 -27.179 -15.994 4.414 789 HG23 THR 122 HG22 THR 122 -25.636 -16.240 5.230 790 H ILE 123 HN ILE 123 -28.427 -16.614 2.219 791 HA ILE 123 HA ILE 123 -29.835 -14.101 1.657 792 HB ILE 123 HB ILE 123 -31.872 -15.568 1.434 793 HG12 ILE 123 HG12 ILE 123 -29.821 -17.791 1.332 794 HG13 ILE 123 HG13 ILE 123 -30.941 -17.518 2.662 795 HG21 ILE 123 HG21 ILE 123 -30.604 -14.684 -0.505 796 HG22 ILE 123 HG22 ILE 123 -29.652 -16.167 -0.525 797 HG23 ILE 123 HG23 ILE 123 -31.387 -16.229 -0.837 798 HD11 ILE 123 HD13 ILE 123 -32.821 -17.941 1.198 799 HD12 ILE 123 HD11 ILE 123 -31.729 -18.141 -0.175 800 HD13 ILE 123 HD12 ILE 123 -31.692 -19.295 1.158 801 H ASP 124 HN ASP 124 -31.722 -13.594 2.973 802 HA ASP 124 HA ASP 124 -31.153 -13.571 5.712 803 HB2 ASP 124 HB2 ASP 124 -32.512 -11.836 4.741 804 HB3 ASP 124 HB3 ASP 124 -33.717 -13.001 4.212 805 H SER 125 HN SER 125 -34.167 -14.959 4.449 806 HA SER 125 HA SER 125 -33.671 -17.481 5.796 807 HG SER 125 HG SER 125 -34.523 -14.717 7.283 808 HB2 SER 125 HB2 SER 125 -36.211 -16.000 6.480 809 HB3 SER 125 HB3 SER 125 -35.501 -17.393 7.291 810 H SER 126 HN SER 126 -36.089 -18.723 5.554 811 HA SER 126 HA SER 126 -36.605 -18.929 2.777 812 HG SER 126 HG SER 126 -37.221 -21.693 4.998 813 HB2 SER 126 HB2 SER 126 -38.307 -19.805 5.128 814 HB3 SER 126 HB3 SER 126 -38.534 -20.320 3.455 815 H SER 127 HN SER 127 -38.011 -17.088 5.386 816 HA SER 127 HA SER 127 -38.895 -15.004 5.347 817 HG SER 127 HG SER 127 -36.721 -15.302 3.145 818 HB2 SER 127 HB2 SER 127 -38.802 -15.215 2.335 819 HB3 SER 127 HB3 SER 127 -39.092 -13.747 3.262 820 H SER 128 HN SER 128 -40.388 -16.968 2.768 821 HA SER 128 HA SER 128 -42.543 -17.443 2.250 822 HG SER 128 HG SER 128 -41.843 -18.044 5.279 823 HB2 SER 128 HB2 SER 128 -43.256 -16.365 4.989 824 HB3 SER 128 HB3 SER 128 -44.261 -17.395 3.967 825 HHA HEM 129 HHA HEM 129 -5.707 17.270 -6.046 826 HHB HEM 129 HHB HEM 129 -1.880 12.084 -5.660 827 HHC HEM 129 HHC HEM 129 -5.050 10.146 -0.486 828 HHD HEM 129 HHD HEM 129 -8.851 15.368 -0.733 829 HAB HEM 129 HAB HEM 129 -2.335 8.982 -0.613 830 HAC HEM 129 HAC HEM 129 -9.975 13.449 0.763 831 HMA1 HEM 129 HMA1 HEM 129 -1.251 15.191 -8.022 832 HMA2 HEM 129 HMA2 HEM 129 -0.509 14.502 -6.576 833 HMA3 HEM 129 HMA3 HEM 129 -1.367 13.460 -7.727 834 HAA1 HEM 129 HAA1 HEM 129 -3.181 17.690 -7.461 835 HAA2 HEM 129 HAA2 HEM 129 -2.629 16.439 -8.072 836 HBA1 HEM 129 HBA1 HEM 129 -3.457 15.659 -9.574 837 HBA2 HEM 129 HBA2 HEM 129 -3.969 17.346 -9.763 838 HMB1 HEM 129 HMB1 HEM 129 0.052 10.961 -3.044 839 HMB2 HEM 129 HMB2 HEM 129 -0.611 9.716 -4.294 840 HMB3 HEM 129 HMB3 HEM 129 -0.757 9.733 -2.776 841 HBB1 HEM 129 HBB1 HEM 129 -3.845 7.829 -2.995 842 HBB2 HEM 129 HBB2 HEM 129 -3.006 6.922 -1.594 843 HMC1 HEM 129 HMC1 HEM 129 -8.036 10.618 1.725 844 HMC2 HEM 129 HMC2 HEM 129 -6.828 9.768 0.757 845 HMC3 HEM 129 HMC3 HEM 129 -6.346 10.897 2.070 846 HBC1 HEM 129 HBC1 HEM 129 -9.732 13.546 3.118 847 HBC2 HEM 129 HBC2 HEM 129 -7.952 13.047 3.020 848 HMD1 HEM 129 HMD1 HEM 129 -9.701 17.292 -1.252 849 HMD2 HEM 129 HMD2 HEM 129 -9.887 18.472 -2.694 850 HMD3 HEM 129 HMD3 HEM 129 -8.660 18.224 -1.844 851 HAD1 HEM 129 HAD1 HEM 129 -8.189 19.139 -5.086 852 HAD2 HEM 129 HAD2 HEM 129 -7.289 18.138 -5.711 853 HBD1 HEM 129 HBD1 HEM 129 -8.215 16.734 -6.971 854 HBD2 HEM 129 HBD2 HEM 129 -8.602 18.416 -7.399 Start of MODEL 4 1 HA MET 21 HA MET 21 5.382 -15.741 9.915 2 H1 MET 21 1H MET 21 7.712 -14.544 8.660 3 HB2 MET 21 HB2 MET 21 5.646 -13.261 9.355 4 HB3 MET 21 HB3 MET 21 5.395 -13.724 7.677 5 HG2 MET 21 HG2 MET 21 3.323 -12.963 8.559 6 HG3 MET 21 HG3 MET 21 3.214 -14.706 8.335 7 HE1 MET 21 HE3 MET 21 0.999 -13.905 11.506 8 HE2 MET 21 HE1 MET 21 1.295 -12.760 10.198 9 HE3 MET 21 HE2 MET 21 0.993 -14.460 9.832 10 H ALA 22 HN ALA 22 5.972 -14.966 6.505 11 HA ALA 22 HA ALA 22 4.902 -17.620 5.792 12 HB1 ALA 22 HB3 ALA 22 4.010 -16.627 3.762 13 HB2 ALA 22 HB1 ALA 22 3.418 -15.744 5.170 14 HB3 ALA 22 HB2 ALA 22 4.718 -15.068 4.193 15 H GLU 23 HN GLU 23 6.682 -18.794 5.453 16 HA GLU 23 HA GLU 23 8.630 -19.555 4.626 17 HB2 GLU 23 HB2 GLU 23 7.980 -17.707 2.320 18 HB3 GLU 23 HB3 GLU 23 9.201 -18.978 2.290 19 HG2 GLU 23 HG2 GLU 23 7.394 -20.615 2.820 20 HG3 GLU 23 HG3 GLU 23 6.229 -19.313 2.603 21 H GLN 24 HN GLN 24 10.593 -18.026 2.998 22 HA GLN 24 HA GLN 24 11.469 -16.205 5.125 23 HB2 GLN 24 HB2 GLN 24 13.738 -17.168 5.022 24 HB3 GLN 24 HB3 GLN 24 12.535 -18.315 5.585 25 HG2 GLN 24 HG2 GLN 24 12.471 -19.291 3.311 26 HG3 GLN 24 HG3 GLN 24 13.766 -18.196 2.841 27 HE21 GLN 24 HE21 GLN 24 12.918 -21.015 4.673 28 HE22 GLN 24 HE22 GLN 24 14.532 -21.522 5.027 29 H SER 25 HN SER 25 11.428 -16.959 1.762 30 HA SER 25 HA SER 25 13.691 -15.972 0.686 31 HG SER 25 HG SER 25 10.250 -14.961 -0.850 32 HB2 SER 25 HB2 SER 25 12.260 -15.356 -1.316 33 HB3 SER 25 HB3 SER 25 12.063 -17.001 -0.711 34 H ASP 26 HN ASP 26 10.774 -14.004 0.927 35 HA ASP 26 HA ASP 26 12.243 -11.662 1.728 36 HB2 ASP 26 HB2 ASP 26 11.224 -10.333 -0.204 37 HB3 ASP 26 HB3 ASP 26 12.587 -11.373 -0.596 38 H GLU 27 HN GLU 27 9.844 -13.634 2.126 39 HA GLU 27 HA GLU 27 7.828 -13.675 3.086 40 HB2 GLU 27 HB2 GLU 27 8.399 -10.800 3.833 41 HB3 GLU 27 HB3 GLU 27 7.166 -11.836 4.552 42 HG2 GLU 27 HG2 GLU 27 8.962 -13.388 5.265 43 HG3 GLU 27 HG3 GLU 27 10.145 -12.237 4.664 44 H ALA 28 HN ALA 28 8.319 -12.681 0.320 45 HA ALA 28 HA ALA 28 7.005 -12.508 -1.489 46 HB1 ALA 28 HB3 ALA 28 4.683 -13.122 -1.317 47 HB2 ALA 28 HB1 ALA 28 5.654 -14.163 -0.278 48 HB3 ALA 28 HB2 ALA 28 4.708 -12.852 0.424 49 H VAL 29 HN VAL 29 4.468 -11.400 -1.854 50 HA VAL 29 HA VAL 29 4.898 -8.716 -2.314 51 HB VAL 29 HB VAL 29 2.237 -10.051 -1.730 52 HG11 VAL 29 HG11 VAL 29 2.840 -7.564 -3.325 53 HG12 VAL 29 HG12 VAL 29 1.256 -8.319 -3.134 54 HG13 VAL 29 HG13 VAL 29 2.066 -7.615 -1.739 55 HG21 VAL 29 HG23 VAL 29 2.083 -10.351 -4.160 56 HG22 VAL 29 HG21 VAL 29 3.727 -9.737 -4.329 57 HG23 VAL 29 HG22 VAL 29 3.431 -11.246 -3.463 58 H LYS 30 HN LYS 30 4.673 -6.850 -1.111 59 HA LYS 30 HA LYS 30 5.004 -7.390 1.701 60 HB2 LYS 30 HB2 LYS 30 5.256 -4.748 0.271 61 HB3 LYS 30 HB3 LYS 30 5.859 -5.143 1.879 62 HG2 LYS 30 HG2 LYS 30 7.296 -6.884 0.822 63 HG3 LYS 30 HG3 LYS 30 6.791 -6.261 -0.748 64 HD2 LYS 30 HD2 LYS 30 7.758 -4.101 -0.232 65 HD3 LYS 30 HD3 LYS 30 8.198 -4.663 1.385 66 HE2 LYS 30 HE2 LYS 30 9.256 -5.666 -1.253 67 HE3 LYS 30 HE3 LYS 30 10.148 -4.798 -0.006 68 HZ1 LYS 30 HZ3 LYS 30 10.632 -7.146 0.081 69 HZ2 LYS 30 HZ1 LYS 30 8.992 -7.521 0.254 70 HZ3 LYS 30 HZ2 LYS 30 9.804 -6.685 1.486 71 H TYR 31 HN TYR 31 3.127 -7.711 2.716 72 HA TYR 31 HA TYR 31 0.992 -5.756 2.337 73 HD1 TYR 31 HD2 TYR 31 -0.603 -7.235 0.809 74 HD2 TYR 31 HD1 TYR 31 1.391 -10.201 3.123 75 HE1 TYR 31 HE2 TYR 31 -0.812 -8.825 -1.055 76 HE2 TYR 31 HE1 TYR 31 1.187 -11.795 1.263 77 HH TYR 31 HH TYR 31 0.328 -10.882 -1.867 78 HB2 TYR 31 HB2 TYR 31 0.877 -8.192 4.111 79 HB3 TYR 31 HB3 TYR 31 -0.461 -7.256 3.469 80 H TYR 32 HN TYR 32 0.035 -4.664 4.153 81 HA TYR 32 HA TYR 32 1.537 -4.890 6.678 82 HD1 TYR 32 HD1 TYR 32 3.229 -2.727 7.683 83 HD2 TYR 32 HD2 TYR 32 1.875 -2.219 3.682 84 HE1 TYR 32 HE1 TYR 32 5.504 -2.090 7.002 85 HE2 TYR 32 HE2 TYR 32 4.144 -1.580 2.987 86 HH TYR 32 HH TYR 32 6.874 -1.980 5.030 87 HB2 TYR 32 HB2 TYR 32 0.288 -2.407 5.474 88 HB3 TYR 32 HB3 TYR 32 0.826 -2.515 7.152 89 H THR 33 HN THR 33 0.214 -4.711 8.635 90 HA THR 33 HA THR 33 -2.263 -6.124 8.161 91 HB THR 33 HB THR 33 -2.483 -6.207 10.632 92 HG1 THR 33 HG1 THR 33 -0.007 -4.773 10.552 93 HG21 THR 33 HG23 THR 33 0.220 -7.049 9.579 94 HG22 THR 33 HG21 THR 33 -1.276 -7.974 9.440 95 HG23 THR 33 HG22 THR 33 -0.564 -7.675 11.029 96 H LEU 34 HN LEU 34 -4.341 -5.468 8.812 97 HA LEU 34 HA LEU 34 -5.060 -2.885 8.132 98 HG LEU 34 HG LEU 34 -7.519 -2.536 9.982 99 HB2 LEU 34 HB2 LEU 34 -6.604 -4.792 8.196 100 HB3 LEU 34 HB3 LEU 34 -6.509 -4.824 9.946 101 HD11 LEU 34 HD11 LEU 34 -7.873 -3.065 7.035 102 HD12 LEU 34 HD12 LEU 34 -8.649 -1.762 7.935 103 HD13 LEU 34 HD13 LEU 34 -6.895 -1.794 7.769 104 HD21 LEU 34 HD23 LEU 34 -9.793 -3.292 9.426 105 HD22 LEU 34 HD21 LEU 34 -9.110 -4.712 8.632 106 HD23 LEU 34 HD22 LEU 34 -8.900 -4.487 10.368 107 H GLU 35 HN GLU 35 -4.550 -4.292 11.323 108 HA GLU 35 HA GLU 35 -5.612 -2.123 12.772 109 HB2 GLU 35 HB2 GLU 35 -4.656 -3.303 14.746 110 HB3 GLU 35 HB3 GLU 35 -5.688 -4.300 13.735 111 HG2 GLU 35 HG2 GLU 35 -3.760 -5.370 12.757 112 HG3 GLU 35 HG3 GLU 35 -2.680 -4.304 13.657 113 H GLU 36 HN GLU 36 -2.453 -2.781 11.548 114 HA GLU 36 HA GLU 36 -1.096 -1.066 13.427 115 HB2 GLU 36 HB2 GLU 36 0.904 -1.677 12.340 116 HB3 GLU 36 HB3 GLU 36 -0.096 -3.123 12.299 117 HG2 GLU 36 HG2 GLU 36 -0.668 -2.702 9.991 118 HG3 GLU 36 HG3 GLU 36 0.235 -1.189 10.020 119 H ILE 37 HN ILE 37 -2.478 -0.877 10.268 120 HA ILE 37 HA ILE 37 -1.282 1.606 9.538 121 HB ILE 37 HB ILE 37 -3.764 0.259 8.459 122 HG12 ILE 37 HG12 ILE 37 -0.938 0.306 7.370 123 HG13 ILE 37 HG13 ILE 37 -1.623 -1.035 8.277 124 HG21 ILE 37 HG21 ILE 37 -2.126 2.541 7.358 125 HG22 ILE 37 HG22 ILE 37 -3.382 1.683 6.466 126 HG23 ILE 37 HG23 ILE 37 -3.798 2.610 7.910 127 HD11 ILE 37 HD13 ILE 37 -1.683 -1.522 5.931 128 HD12 ILE 37 HD11 ILE 37 -3.331 -1.295 6.518 129 HD13 ILE 37 HD12 ILE 37 -2.538 -0.015 5.600 130 H GLN 38 HN GLN 38 -3.851 0.632 11.541 131 HA GLN 38 HA GLN 38 -5.367 3.035 11.602 132 HB2 GLN 38 HB2 GLN 38 -5.066 0.751 13.548 133 HB3 GLN 38 HB3 GLN 38 -6.208 2.071 13.774 134 HG2 GLN 38 HG2 GLN 38 -6.197 0.491 11.242 135 HG3 GLN 38 HG3 GLN 38 -7.009 -0.123 12.681 136 HE21 GLN 38 HE21 GLN 38 -6.909 2.522 10.353 137 HE22 GLN 38 HE22 GLN 38 -8.551 3.028 10.612 138 H LYS 39 HN LYS 39 -2.442 1.978 13.127 139 HA LYS 39 HA LYS 39 -2.405 4.363 14.830 140 HB2 LYS 39 HB2 LYS 39 -0.470 3.197 15.957 141 HB3 LYS 39 HB3 LYS 39 -2.031 2.405 16.114 142 HG2 LYS 39 HG2 LYS 39 -1.349 0.927 14.200 143 HG3 LYS 39 HG3 LYS 39 0.268 1.614 14.361 144 HD2 LYS 39 HD2 LYS 39 0.124 -0.487 15.579 145 HD3 LYS 39 HD3 LYS 39 0.335 0.857 16.702 146 HE2 LYS 39 HE2 LYS 39 -2.006 0.833 17.253 147 HE3 LYS 39 HE3 LYS 39 -2.326 -0.376 16.013 148 HZ1 LYS 39 HZ3 LYS 39 -2.098 -1.094 18.461 149 HZ2 LYS 39 HZ1 LYS 39 -0.430 -0.972 18.185 150 HZ3 LYS 39 HZ2 LYS 39 -1.363 -2.037 17.256 151 H HIS 40 HN HIS 40 -1.514 3.417 11.874 152 HA HIS 40 HA HIS 40 0.777 5.263 11.740 153 HD1 HIS 40 HD1 HIS 40 1.044 0.942 10.114 154 HD2 HIS 40 HD2 HIS 40 3.051 4.099 11.928 155 HE1 HIS 40 HE1 HIS 40 3.016 -0.094 11.266 156 HE2 HIS 40 HE2 HIS 40 4.308 1.850 12.232 157 HB2 HIS 40 HB2 HIS 40 -0.152 3.114 9.813 158 HB3 HIS 40 HB3 HIS 40 1.086 4.289 9.418 159 H ASN 41 HN ASN 41 -1.553 6.345 12.247 160 HA ASN 41 HA ASN 41 -2.909 7.136 9.751 161 HB2 ASN 41 HB2 ASN 41 -4.848 7.533 11.151 162 HB3 ASN 41 HB3 ASN 41 -4.221 5.928 11.503 163 HD21 ASN 41 HD21 ASN 41 -5.857 7.744 13.121 164 HD22 ASN 41 HD22 ASN 41 -4.993 7.955 14.604 165 H HIS 42 HN HIS 42 -0.525 8.297 11.556 166 HA HIS 42 HA HIS 42 -1.704 10.954 12.054 167 HD1 HIS 42 HD1 HIS 42 2.085 10.931 14.149 168 HD2 HIS 42 HD2 HIS 42 0.183 7.245 13.942 169 HE1 HIS 42 HE1 HIS 42 3.915 9.217 14.357 170 HE2 HIS 42 HE2 HIS 42 2.692 7.021 14.565 171 HB2 HIS 42 HB2 HIS 42 -0.446 11.112 14.112 172 HB3 HIS 42 HB3 HIS 42 -1.377 9.617 14.134 173 H SER 43 HN SER 43 -0.120 12.699 12.263 174 HA SER 43 HA SER 43 1.003 13.453 10.017 175 HG SER 43 HG SER 43 0.260 15.556 11.862 176 HB2 SER 43 HB2 SER 43 2.443 14.009 12.603 177 HB3 SER 43 HB3 SER 43 2.233 15.086 11.220 178 H LYS 44 HN LYS 44 3.177 12.081 12.486 179 HA LYS 44 HA LYS 44 5.421 12.110 10.751 180 HB2 LYS 44 HB2 LYS 44 4.895 11.012 13.492 181 HB3 LYS 44 HB3 LYS 44 6.432 10.735 12.691 182 HG2 LYS 44 HG2 LYS 44 5.220 13.425 13.297 183 HG3 LYS 44 HG3 LYS 44 6.530 12.654 14.192 184 HD2 LYS 44 HD2 LYS 44 7.947 12.710 12.223 185 HD3 LYS 44 HD3 LYS 44 6.634 13.404 11.269 186 HE2 LYS 44 HE2 LYS 44 6.640 15.386 12.699 187 HE3 LYS 44 HE3 LYS 44 7.937 14.690 13.671 188 HZ1 LYS 44 HZ3 LYS 44 8.802 16.277 12.080 189 HZ2 LYS 44 HZ1 LYS 44 8.116 15.412 10.789 190 HZ3 LYS 44 HZ2 LYS 44 9.363 14.718 11.700 191 H SER 45 HN SER 45 2.910 10.122 10.438 192 HA SER 45 HA SER 45 4.390 7.913 9.326 193 HG SER 45 HG SER 45 5.363 7.907 11.458 194 HB2 SER 45 HB2 SER 45 2.690 7.509 11.805 195 HB3 SER 45 HB3 SER 45 3.440 6.231 10.866 196 H THR 46 HN THR 46 2.629 9.593 8.041 197 HA THR 46 HA THR 46 -0.114 8.825 8.567 198 HB THR 46 HB THR 46 0.824 10.766 6.456 199 HG1 THR 46 HG1 THR 46 1.681 11.468 8.431 200 HG21 THR 46 HG23 THR 46 -1.373 11.781 6.823 201 HG22 THR 46 HG21 THR 46 -1.742 10.547 8.030 202 HG23 THR 46 HG22 THR 46 -1.527 10.092 6.341 203 H TRP 47 HN TRP 47 -0.302 6.710 7.759 204 HA TRP 47 HA TRP 47 0.017 6.408 4.863 205 HD1 TRP 47 HD1 TRP 47 2.223 6.269 5.743 206 HE1 TRP 47 HE1 TRP 47 4.418 5.075 6.360 207 HE3 TRP 47 HE3 TRP 47 0.311 1.720 7.075 208 HZ2 TRP 47 HZ2 TRP 47 5.228 2.520 7.299 209 HZ3 TRP 47 HZ3 TRP 47 1.854 -0.045 7.809 210 HH2 TRP 47 HH2 TRP 47 4.257 0.346 7.916 211 HB2 TRP 47 HB2 TRP 47 -0.680 4.329 6.953 212 HB3 TRP 47 HB3 TRP 47 -0.470 4.009 5.239 213 H LEU 48 HN LEU 48 -1.800 5.113 3.782 214 HA LEU 48 HA LEU 48 -4.354 5.129 5.095 215 HG LEU 48 HG LEU 48 -4.395 5.870 1.509 216 HB2 LEU 48 HB2 LEU 48 -5.585 6.532 3.678 217 HB3 LEU 48 HB3 LEU 48 -4.147 7.453 4.061 218 HD11 LEU 48 HD11 LEU 48 -6.258 7.459 1.638 219 HD12 LEU 48 HD12 LEU 48 -5.117 8.765 1.965 220 HD13 LEU 48 HD13 LEU 48 -5.083 7.937 0.410 221 HD21 LEU 48 HD23 LEU 48 -2.680 8.223 2.293 222 HD22 LEU 48 HD21 LEU 48 -2.143 6.548 2.164 223 HD23 LEU 48 HD22 LEU 48 -2.684 7.416 0.726 224 H ILE 49 HN ILE 49 -6.082 4.348 3.408 225 HA ILE 49 HA ILE 49 -4.819 2.515 1.473 226 HB ILE 49 HB ILE 49 -7.277 1.874 3.123 227 HG12 ILE 49 HG12 ILE 49 -4.475 0.760 3.409 228 HG13 ILE 49 HG13 ILE 49 -5.198 1.941 4.492 229 HG21 ILE 49 HG21 ILE 49 -5.629 0.152 1.271 230 HG22 ILE 49 HG22 ILE 49 -7.017 -0.382 2.217 231 HG23 ILE 49 HG23 ILE 49 -7.233 0.802 0.927 232 HD11 ILE 49 HD13 ILE 49 -6.889 0.328 5.146 233 HD12 ILE 49 HD11 ILE 49 -6.209 -0.854 4.030 234 HD13 ILE 49 HD12 ILE 49 -5.266 -0.311 5.418 235 H LEU 50 HN LEU 50 -5.608 2.792 -0.559 236 HA LEU 50 HA LEU 50 -8.027 4.427 -0.826 237 HG LEU 50 HG LEU 50 -5.630 6.047 -1.217 238 HB2 LEU 50 HB2 LEU 50 -5.623 4.035 -2.529 239 HB3 LEU 50 HB3 LEU 50 -7.135 4.477 -3.306 240 HD11 LEU 50 HD11 LEU 50 -5.502 7.740 -2.951 241 HD12 LEU 50 HD12 LEU 50 -4.798 6.223 -3.514 242 HD13 LEU 50 HD13 LEU 50 -6.407 6.704 -4.056 243 HD21 LEU 50 HD23 LEU 50 -7.473 7.712 -1.472 244 HD22 LEU 50 HD21 LEU 50 -8.386 6.487 -2.360 245 HD23 LEU 50 HD22 LEU 50 -7.961 6.216 -0.671 246 H HIS 51 HN HIS 51 -7.160 1.277 -0.902 247 HA HIS 51 HA HIS 51 -9.613 0.393 -1.872 248 HD1 HIS 51 HD1 HIS 51 -7.201 -0.944 -5.941 249 HD2 HIS 51 HD2 HIS 51 -5.936 1.666 -2.955 250 HE1 HIS 51 HE1 HIS 51 -4.824 -0.339 -6.514 251 HE2 HIS 51 HE2 HIS 51 -4.189 1.424 -4.840 252 HB2 HIS 51 HB2 HIS 51 -8.756 -0.884 -3.918 253 HB3 HIS 51 HB3 HIS 51 -9.068 0.827 -4.110 254 H HIS 52 HN HIS 52 -6.499 -1.208 -2.508 255 HA HIS 52 HA HIS 52 -6.797 -2.692 -0.018 256 HD1 HIS 52 HD1 HIS 52 -7.924 -5.692 0.354 257 HD2 HIS 52 HD2 HIS 52 -9.520 -3.439 -2.750 258 HE1 HIS 52 HE1 HIS 52 -10.404 -6.066 0.450 259 HE2 HIS 52 HE2 HIS 52 -11.348 -4.489 -1.259 260 HB2 HIS 52 HB2 HIS 52 -6.747 -3.952 -2.746 261 HB3 HIS 52 HB3 HIS 52 -6.157 -4.825 -1.336 262 H LYS 53 HN LYS 53 -5.056 -0.677 -1.472 263 HA LYS 53 HA LYS 53 -2.471 -1.926 -0.849 264 HB2 LYS 53 HB2 LYS 53 -3.059 0.302 -2.807 265 HB3 LYS 53 HB3 LYS 53 -1.450 -0.215 -2.336 266 HG2 LYS 53 HG2 LYS 53 -3.132 -2.382 -3.336 267 HG3 LYS 53 HG3 LYS 53 -2.825 -1.098 -4.500 268 HD2 LYS 53 HD2 LYS 53 -0.390 -1.299 -3.937 269 HD3 LYS 53 HD3 LYS 53 -0.798 -2.749 -3.022 270 HE2 LYS 53 HE2 LYS 53 -1.600 -3.847 -4.999 271 HE3 LYS 53 HE3 LYS 53 -1.441 -2.365 -5.943 272 HZ1 LYS 53 HZ3 LYS 53 0.399 -3.938 -6.321 273 HZ2 LYS 53 HZ1 LYS 53 0.824 -3.823 -4.678 274 HZ3 LYS 53 HZ2 LYS 53 0.938 -2.468 -5.685 275 H VAL 54 HN VAL 54 -1.160 -0.746 0.578 276 HA VAL 54 HA VAL 54 -2.472 1.523 1.879 277 HB VAL 54 HB VAL 54 -1.597 -0.160 3.380 278 HG11 VAL 54 HG11 VAL 54 1.094 0.340 2.127 279 HG12 VAL 54 HG12 VAL 54 0.788 -0.664 3.543 280 HG13 VAL 54 HG13 VAL 54 0.123 -1.124 1.974 281 HG21 VAL 54 HG23 VAL 54 -1.491 2.182 4.098 282 HG22 VAL 54 HG21 VAL 54 -0.200 1.215 4.814 283 HG23 VAL 54 HG22 VAL 54 0.144 2.296 3.460 284 H TYR 55 HN TYR 55 -1.704 3.583 1.778 285 HA TYR 55 HA TYR 55 0.682 4.047 0.095 286 HD1 TYR 55 HD2 TYR 55 -2.744 3.359 -0.357 287 HD2 TYR 55 HD1 TYR 55 -0.502 6.002 -2.821 288 HE1 TYR 55 HE2 TYR 55 -3.719 2.314 -2.349 289 HE2 TYR 55 HE1 TYR 55 -1.473 4.964 -4.825 290 HH TYR 55 HH TYR 55 -2.573 3.049 -5.561 291 HB2 TYR 55 HB2 TYR 55 -1.776 5.799 0.366 292 HB3 TYR 55 HB3 TYR 55 -0.336 6.222 -0.546 293 H ASP 56 HN ASP 56 1.772 6.159 0.598 294 HA ASP 56 HA ASP 56 1.420 6.944 3.421 295 HB2 ASP 56 HB2 ASP 56 3.516 5.752 3.284 296 HB3 ASP 56 HB3 ASP 56 4.004 6.666 1.862 297 H LEU 57 HN LEU 57 1.399 9.158 3.833 298 HA LEU 57 HA LEU 57 1.956 10.873 1.497 299 HG LEU 57 HG LEU 57 -1.578 11.924 2.429 300 HB2 LEU 57 HB2 LEU 57 0.430 11.781 3.933 301 HB3 LEU 57 HB3 LEU 57 0.644 12.635 2.431 302 HD11 LEU 57 HD11 LEU 57 -0.533 11.599 0.300 303 HD12 LEU 57 HD12 LEU 57 0.011 9.987 0.771 304 HD13 LEU 57 HD13 LEU 57 -1.709 10.315 0.581 305 HD21 LEU 57 HD23 LEU 57 -0.684 9.131 3.116 306 HD22 LEU 57 HD21 LEU 57 -1.399 10.278 4.249 307 HD23 LEU 57 HD22 LEU 57 -2.343 9.680 2.884 308 H THR 58 HN THR 58 1.866 11.282 4.991 309 HA THR 58 HA THR 58 3.218 12.252 6.491 310 HB THR 58 HB THR 58 5.291 10.780 4.887 311 HG1 THR 58 HG1 THR 58 4.227 9.120 5.700 312 HG21 THR 58 HG23 THR 58 6.645 10.791 6.914 313 HG22 THR 58 HG21 THR 58 5.413 11.732 7.753 314 HG23 THR 58 HG22 THR 58 6.307 12.446 6.410 315 H LYS 59 HN LYS 59 5.401 12.478 3.703 316 HA LYS 59 HA LYS 59 6.056 15.207 4.414 317 HB2 LYS 59 HB2 LYS 59 7.038 13.340 2.247 318 HB3 LYS 59 HB3 LYS 59 7.626 14.985 2.444 319 HG2 LYS 59 HG2 LYS 59 8.420 14.438 4.691 320 HG3 LYS 59 HG3 LYS 59 7.827 12.790 4.504 321 HD2 LYS 59 HD2 LYS 59 9.858 14.017 2.646 322 HD3 LYS 59 HD3 LYS 59 10.307 13.155 4.116 323 HE2 LYS 59 HE2 LYS 59 8.654 11.969 1.885 324 HE3 LYS 59 HE3 LYS 59 10.395 11.767 2.052 325 HZ1 LYS 59 HZ3 LYS 59 10.083 10.630 4.118 326 HZ2 LYS 59 HZ1 LYS 59 9.105 9.891 2.951 327 HZ3 LYS 59 HZ2 LYS 59 8.416 10.922 4.097 328 H PHE 60 HN PHE 60 3.900 13.541 2.404 329 HA PHE 60 HA PHE 60 3.855 15.303 0.188 330 HD1 PHE 60 HD2 PHE 60 3.787 14.528 -1.950 331 HD2 PHE 60 HD1 PHE 60 -0.075 13.426 -0.532 332 HE1 PHE 60 HE2 PHE 60 2.835 14.991 -4.171 333 HE2 PHE 60 HE1 PHE 60 -1.030 13.883 -2.748 334 HZ PHE 60 HZ PHE 60 0.469 14.664 -4.595 335 HB2 PHE 60 HB2 PHE 60 3.227 12.865 0.167 336 HB3 PHE 60 HB3 PHE 60 1.701 13.326 0.916 337 H LEU 61 HN LEU 61 2.746 15.707 3.223 338 HA LEU 61 HA LEU 61 0.054 16.373 3.031 339 HG LEU 61 HG LEU 61 1.870 14.778 5.129 340 HB2 LEU 61 HB2 LEU 61 2.109 17.179 5.085 341 HB3 LEU 61 HB3 LEU 61 0.384 17.405 5.275 342 HD11 LEU 61 HD11 LEU 61 0.220 16.053 7.307 343 HD12 LEU 61 HD12 LEU 61 0.979 14.462 7.376 344 HD13 LEU 61 HD13 LEU 61 1.977 15.913 7.285 345 HD21 LEU 61 HD23 LEU 61 -0.304 13.698 5.406 346 HD22 LEU 61 HD21 LEU 61 -1.105 15.265 5.270 347 HD23 LEU 61 HD22 LEU 61 -0.226 14.601 3.893 348 H GLU 62 HN GLU 62 2.903 18.361 2.602 349 HA GLU 62 HA GLU 62 1.256 20.789 2.519 350 HB2 GLU 62 HB2 GLU 62 3.487 21.962 2.553 351 HB3 GLU 62 HB3 GLU 62 3.121 21.012 3.984 352 HG2 GLU 62 HG2 GLU 62 4.563 19.225 3.198 353 HG3 GLU 62 HG3 GLU 62 4.894 20.124 1.720 354 H GLU 63 HN GLU 63 2.225 18.483 0.488 355 HA GLU 63 HA GLU 63 2.936 20.234 -1.769 356 HB2 GLU 63 HB2 GLU 63 4.489 18.376 -1.181 357 HB3 GLU 63 HB3 GLU 63 3.192 17.228 -1.468 358 HG2 GLU 63 HG2 GLU 63 4.468 17.154 -3.411 359 HG3 GLU 63 HG3 GLU 63 3.102 18.184 -3.833 360 H HIS 64 HN HIS 64 0.463 18.344 -0.420 361 HA HIS 64 HA HIS 64 -0.902 17.846 -2.901 362 HD1 HIS 64 HD1 HIS 64 -4.277 17.314 -0.095 363 HD2 HIS 64 HD2 HIS 64 -2.573 15.104 -3.235 364 HE1 HIS 64 HE1 HIS 64 -6.180 16.031 -1.210 365 HB2 HIS 64 HB3 HIS 64 -0.913 16.172 -1.105 366 HB3 HIS 64 HB2 HIS 64 -1.715 17.281 -0.035 367 HA PRO 65 HA PRO 65 -3.060 21.722 -2.686 368 HB2 PRO 65 HB2 PRO 65 -5.098 20.786 -4.498 369 HB3 PRO 65 HB3 PRO 65 -3.721 21.833 -4.836 370 HG2 PRO 65 HG2 PRO 65 -4.003 19.268 -5.795 371 HG3 PRO 65 HG3 PRO 65 -2.455 20.114 -5.624 372 HD2 PRO 65 HD2 PRO 65 -3.696 18.045 -3.877 373 HD3 PRO 65 HD3 PRO 65 -1.987 18.303 -4.286 374 H GLY 66 HN GLY 66 -4.518 18.805 -1.720 375 HA2 GLY 66 HA1 GLY 66 -7.179 19.945 -1.394 376 HA3 GLY 66 HA2 GLY 66 -6.741 18.258 -1.214 377 H GLY 67 HN GLY 67 -4.458 19.847 0.507 378 HA2 GLY 67 HA1 GLY 67 -4.967 21.164 2.579 379 HA3 GLY 67 HA2 GLY 67 -6.143 19.908 2.928 380 H GLU 68 HN GLU 68 -4.580 20.325 4.874 381 HA GLU 68 HA GLU 68 -2.492 18.230 4.828 382 HB2 GLU 68 HB2 GLU 68 -1.606 20.485 5.314 383 HB3 GLU 68 HB3 GLU 68 -2.767 20.665 6.620 384 HG2 GLU 68 HG2 GLU 68 -1.605 18.461 7.495 385 HG3 GLU 68 HG3 GLU 68 -0.275 19.048 6.501 386 H GLU 69 HN GLU 69 -4.869 19.895 6.746 387 HA GLU 69 HA GLU 69 -4.767 18.198 9.000 388 HB2 GLU 69 HB2 GLU 69 -6.673 19.552 9.799 389 HB3 GLU 69 HB3 GLU 69 -5.338 20.532 9.220 390 HG2 GLU 69 HG2 GLU 69 -7.814 19.924 7.619 391 HG3 GLU 69 HG3 GLU 69 -7.580 21.377 8.585 392 H VAL 70 HN VAL 70 -6.845 18.307 6.175 393 HA VAL 70 HA VAL 70 -8.724 16.446 7.352 394 HB VAL 70 HB VAL 70 -9.883 16.538 5.137 395 HG11 VAL 70 HG11 VAL 70 -10.824 18.699 5.507 396 HG12 VAL 70 HG12 VAL 70 -10.393 18.030 7.080 397 HG13 VAL 70 HG13 VAL 70 -9.370 19.258 6.333 398 HG21 VAL 70 HG23 VAL 70 -7.997 17.058 3.704 399 HG22 VAL 70 HG21 VAL 70 -9.212 18.330 3.577 400 HG23 VAL 70 HG22 VAL 70 -7.756 18.592 4.538 401 H LEU 71 HN LEU 71 -5.791 16.154 5.759 402 HA LEU 71 HA LEU 71 -6.224 13.603 4.541 403 HG LEU 71 HG LEU 71 -3.033 14.775 3.122 404 HB2 LEU 71 HB2 LEU 71 -3.876 15.249 5.328 405 HB3 LEU 71 HB3 LEU 71 -3.605 13.525 5.178 406 HD11 LEU 71 HD11 LEU 71 -5.377 12.905 2.811 407 HD12 LEU 71 HD12 LEU 71 -4.195 13.306 1.567 408 HD13 LEU 71 HD13 LEU 71 -3.690 12.421 3.003 409 HD21 LEU 71 HD23 LEU 71 -5.993 15.339 2.974 410 HD22 LEU 71 HD21 LEU 71 -4.737 16.535 3.288 411 HD23 LEU 71 HD22 LEU 71 -4.798 15.711 1.731 412 H ARG 72 HN ARG 72 -5.485 14.813 7.674 413 HA ARG 72 HA ARG 72 -4.663 12.501 9.043 414 HE ARG 72 HE ARG 72 -4.480 13.741 14.013 415 HB2 ARG 72 HB2 ARG 72 -4.345 14.884 9.711 416 HB3 ARG 72 HB3 ARG 72 -6.058 14.977 10.079 417 HG2 ARG 72 HG2 ARG 72 -5.782 13.335 11.849 418 HG3 ARG 72 HG3 ARG 72 -4.066 13.190 11.453 419 HD2 ARG 72 HD2 ARG 72 -3.778 15.588 11.937 420 HD3 ARG 72 HD3 ARG 72 -5.477 15.687 12.379 421 HH11 ARG 72 HH12 ARG 72 -3.614 17.063 13.335 422 HH12 ARG 72 HH11 ARG 72 -2.997 17.372 14.928 423 HH21 ARG 72 HH22 ARG 72 -3.693 14.135 16.111 424 HH22 ARG 72 HH21 ARG 72 -3.062 15.703 16.524 425 H GLU 73 HN GLU 73 -7.658 13.387 7.828 426 HA GLU 73 HA GLU 73 -9.315 12.161 9.873 427 HB2 GLU 73 HB2 GLU 73 -10.036 14.267 8.878 428 HB3 GLU 73 HB3 GLU 73 -9.949 13.568 7.269 429 HG2 GLU 73 HG2 GLU 73 -11.732 11.963 7.960 430 HG3 GLU 73 HG3 GLU 73 -11.892 12.884 9.454 431 H GLN 74 HN GLN 74 -8.196 11.608 6.624 432 HA GLN 74 HA GLN 74 -9.928 9.265 6.308 433 HB2 GLN 74 HB2 GLN 74 -8.278 10.809 4.293 434 HB3 GLN 74 HB3 GLN 74 -9.345 9.461 3.914 435 HG2 GLN 74 HG2 GLN 74 -10.263 12.032 5.182 436 HG3 GLN 74 HG3 GLN 74 -10.311 11.711 3.449 437 HE21 GLN 74 HE21 GLN 74 -12.457 12.228 5.440 438 HE22 GLN 74 HE22 GLN 74 -13.533 10.883 5.278 439 H ALA 75 HN ALA 75 -6.837 10.106 7.192 440 HA ALA 75 HA ALA 75 -5.444 7.867 6.000 441 HB1 ALA 75 HB3 ALA 75 -3.492 8.718 7.173 442 HB2 ALA 75 HB1 ALA 75 -4.318 10.027 6.326 443 HB3 ALA 75 HB2 ALA 75 -4.505 9.847 8.072 444 H GLY 76 HN GLY 76 -4.700 6.058 7.065 445 HA2 GLY 76 HA1 GLY 76 -4.330 4.880 9.197 446 HA3 GLY 76 HA2 GLY 76 -5.822 5.618 9.767 447 H GLY 77 HN GLY 77 -7.080 5.161 7.111 448 HA2 GLY 77 HA1 GLY 77 -7.088 2.266 6.823 449 HA3 GLY 77 HA2 GLY 77 -8.606 2.986 7.381 450 H ASP 78 HN ASP 78 -9.704 2.387 5.431 451 HA ASP 78 HA ASP 78 -8.560 3.306 2.956 452 HB2 ASP 78 HB2 ASP 78 -10.396 2.294 1.822 453 HB3 ASP 78 HB3 ASP 78 -9.890 1.189 3.089 454 H ALA 79 HN ALA 79 -9.156 5.010 1.737 455 HA ALA 79 HA ALA 79 -11.110 6.863 2.936 456 HB1 ALA 79 HB3 ALA 79 -8.734 7.531 1.199 457 HB2 ALA 79 HB1 ALA 79 -9.847 8.681 1.937 458 HB3 ALA 79 HB2 ALA 79 -8.800 7.697 2.954 459 H THR 80 HN THR 80 -11.335 4.612 0.863 460 HA THR 80 HA THR 80 -11.610 5.911 -1.666 461 HB THR 80 HB THR 80 -10.821 3.617 -1.539 462 HG1 THR 80 HG1 THR 80 -13.238 4.122 -2.940 463 HG21 THR 80 HG23 THR 80 -13.627 2.890 -0.681 464 HG22 THR 80 HG21 THR 80 -12.214 2.886 0.376 465 HG23 THR 80 HG22 THR 80 -12.299 1.770 -0.986 466 H GLU 81 HN GLU 81 -13.676 5.734 0.958 467 HA GLU 81 HA GLU 81 -16.251 5.681 -0.042 468 HB2 GLU 81 HB2 GLU 81 -15.767 6.034 2.318 469 HB3 GLU 81 HB3 GLU 81 -14.968 7.556 1.970 470 HG2 GLU 81 HG2 GLU 81 -17.006 8.210 2.829 471 HG3 GLU 81 HG3 GLU 81 -17.256 8.322 1.091 472 H ASN 82 HN ASN 82 -14.013 8.393 0.097 473 HA ASN 82 HA ASN 82 -15.588 10.323 -1.205 474 HB2 ASN 82 HB2 ASN 82 -13.673 10.884 0.231 475 HB3 ASN 82 HB3 ASN 82 -12.576 10.113 -0.909 476 HD21 ASN 82 HD21 ASN 82 -12.007 11.172 -2.788 477 HD22 ASN 82 HD22 ASN 82 -12.390 12.829 -3.080 478 H PHE 83 HN PHE 83 -13.345 7.925 -2.322 479 HA PHE 83 HA PHE 83 -12.674 9.084 -4.808 480 HD1 PHE 83 HD1 PHE 83 -10.018 8.464 -5.511 481 HD2 PHE 83 HD2 PHE 83 -12.537 5.071 -6.041 482 HE1 PHE 83 HE1 PHE 83 -8.920 7.991 -7.664 483 HE2 PHE 83 HE2 PHE 83 -11.446 4.591 -8.192 484 HZ PHE 83 HZ PHE 83 -9.637 6.051 -9.011 485 HB2 PHE 83 HB2 PHE 83 -11.266 7.427 -3.620 486 HB3 PHE 83 HB3 PHE 83 -12.469 6.187 -3.948 487 H GLU 84 HN GLU 84 -15.271 7.042 -3.773 488 HA GLU 84 HA GLU 84 -15.931 6.162 -6.447 489 HB2 GLU 84 HB2 GLU 84 -17.268 5.694 -3.775 490 HB3 GLU 84 HB3 GLU 84 -17.809 4.987 -5.289 491 HG2 GLU 84 HG2 GLU 84 -15.344 4.127 -5.433 492 HG3 GLU 84 HG3 GLU 84 -15.370 4.393 -3.690 493 H ASP 85 HN ASP 85 -16.453 8.869 -4.632 494 HA ASP 85 HA ASP 85 -18.998 9.528 -5.950 495 HB2 ASP 85 HB2 ASP 85 -18.806 9.770 -3.434 496 HB3 ASP 85 HB3 ASP 85 -17.626 11.048 -3.720 497 H VAL 86 HN VAL 86 -15.737 10.708 -5.310 498 HA VAL 86 HA VAL 86 -15.635 11.809 -7.969 499 HB VAL 86 HB VAL 86 -16.443 13.766 -6.858 500 HG11 VAL 86 HG11 VAL 86 -14.228 13.467 -4.836 501 HG12 VAL 86 HG12 VAL 86 -15.434 14.753 -4.893 502 HG13 VAL 86 HG13 VAL 86 -15.928 13.097 -4.549 503 HG21 VAL 86 HG23 VAL 86 -14.641 15.343 -7.223 504 HG22 VAL 86 HG21 VAL 86 -13.457 14.039 -7.167 505 HG23 VAL 86 HG22 VAL 86 -14.636 14.110 -8.479 506 H GLY 87 HN GLY 87 -13.926 10.750 -8.705 507 HA2 GLY 87 HA1 GLY 87 -11.879 9.956 -6.741 508 HA3 GLY 87 HA2 GLY 87 -12.346 9.009 -8.139 509 H HIS 88 HN HIS 88 -11.276 12.377 -7.659 510 HA HIS 88 HA HIS 88 -9.427 13.494 -8.354 511 HD1 HIS 88 HD1 HIS 88 -8.277 10.049 -6.202 512 HD2 HIS 88 HD2 HIS 88 -6.858 13.875 -7.056 513 HE1 HIS 88 HE1 HIS 88 -7.185 10.908 -4.073 514 HB2 HIS 88 HB2 HIS 88 -8.461 10.671 -8.671 515 HB3 HIS 88 HB3 HIS 88 -7.463 12.025 -9.196 516 H SER 89 HN SER 89 -7.972 13.918 -10.310 517 HA SER 89 HA SER 89 -9.578 13.627 -12.735 518 HG SER 89 HG SER 89 -6.652 16.236 -11.862 519 HB2 SER 89 HB2 SER 89 -7.647 15.298 -13.485 520 HB3 SER 89 HB3 SER 89 -9.055 15.842 -12.577 521 H THR 90 HN THR 90 -8.226 11.323 -11.818 522 HA THR 90 HA THR 90 -7.302 9.506 -12.804 523 HB THR 90 HB THR 90 -6.911 11.249 -15.241 524 HG1 THR 90 HG1 THR 90 -8.954 10.675 -15.769 525 HG21 THR 90 HG23 THR 90 -5.570 9.221 -15.348 526 HG22 THR 90 HG21 THR 90 -6.938 9.088 -16.450 527 HG23 THR 90 HG22 THR 90 -6.968 8.245 -14.902 528 H ASP 91 HN ASP 91 -5.327 12.413 -13.516 529 HA ASP 91 HA ASP 91 -2.897 11.123 -13.903 530 HB2 ASP 91 HB2 ASP 91 -3.320 13.548 -14.284 531 HB3 ASP 91 HB3 ASP 91 -3.271 13.797 -12.539 532 H ALA 92 HN ALA 92 -4.524 11.966 -10.930 533 HA ALA 92 HA ALA 92 -2.349 11.427 -9.176 534 HB1 ALA 92 HB3 ALA 92 -4.218 12.934 -8.620 535 HB2 ALA 92 HB1 ALA 92 -5.291 11.538 -8.539 536 HB3 ALA 92 HB2 ALA 92 -3.954 11.693 -7.397 537 H ARG 93 HN ARG 93 -3.846 9.317 -11.081 538 HA ARG 93 HA ARG 93 -3.853 7.097 -9.153 539 HE ARG 93 HE ARG 93 -8.628 8.098 -10.408 540 HB2 ARG 93 HB2 ARG 93 -4.703 7.262 -12.061 541 HB3 ARG 93 HB3 ARG 93 -4.781 5.802 -11.077 542 HG2 ARG 93 HG2 ARG 93 -6.414 6.779 -9.634 543 HG3 ARG 93 HG3 ARG 93 -6.205 8.362 -10.387 544 HD2 ARG 93 HD2 ARG 93 -6.942 7.202 -12.558 545 HD3 ARG 93 HD3 ARG 93 -7.509 5.901 -11.513 546 HH11 ARG 93 HH12 ARG 93 -8.649 6.752 -13.637 547 HH12 ARG 93 HH11 ARG 93 -10.130 7.536 -14.093 548 HH21 ARG 93 HH22 ARG 93 -10.587 9.132 -11.006 549 HH22 ARG 93 HH21 ARG 93 -11.229 8.874 -12.600 550 H GLU 94 HN GLU 94 -1.936 8.757 -11.261 551 HA GLU 94 HA GLU 94 -0.074 6.539 -11.807 552 HB2 GLU 94 HB2 GLU 94 -0.442 9.259 -13.086 553 HB3 GLU 94 HB3 GLU 94 0.886 8.173 -13.473 554 HG2 GLU 94 HG2 GLU 94 -2.028 7.527 -13.840 555 HG3 GLU 94 HG3 GLU 94 -0.941 8.094 -15.110 556 H MET 95 HN MET 95 -0.364 9.870 -10.818 557 HA MET 95 HA MET 95 2.249 10.457 -10.045 558 HB2 MET 95 HB2 MET 95 0.460 12.114 -10.367 559 HB3 MET 95 HB3 MET 95 -0.386 11.490 -8.961 560 HG2 MET 95 HG2 MET 95 0.701 13.525 -8.368 561 HG3 MET 95 HG3 MET 95 1.525 12.197 -7.554 562 HE1 MET 95 HE3 MET 95 3.382 14.149 -7.091 563 HE2 MET 95 HE1 MET 95 4.341 14.899 -8.369 564 HE3 MET 95 HE2 MET 95 2.641 15.327 -8.176 565 H SER 96 HN SER 96 -0.206 8.582 -8.513 566 HA SER 96 HA SER 96 0.798 9.004 -5.846 567 HG SER 96 HG SER 96 -2.551 7.743 -7.397 568 HB2 SER 96 HB2 SER 96 -1.137 7.570 -5.200 569 HB3 SER 96 HB3 SER 96 -1.554 9.029 -6.090 570 H LYS 97 HN LYS 97 1.531 6.934 -8.288 571 HA LYS 97 HA LYS 97 1.318 4.384 -7.185 572 HB2 LYS 97 HB2 LYS 97 3.091 5.424 -9.387 573 HB3 LYS 97 HB3 LYS 97 2.967 3.720 -8.966 574 HG2 LYS 97 HG2 LYS 97 0.447 4.019 -9.333 575 HG3 LYS 97 HG3 LYS 97 0.891 5.514 -10.165 576 HD2 LYS 97 HD2 LYS 97 2.445 4.163 -11.579 577 HD3 LYS 97 HD3 LYS 97 1.777 2.712 -10.833 578 HE2 LYS 97 HE2 LYS 97 0.356 4.731 -12.547 579 HE3 LYS 97 HE3 LYS 97 0.687 3.042 -12.924 580 HZ1 LYS 97 HZ3 LYS 97 -1.568 3.195 -12.309 581 HZ2 LYS 97 HZ1 LYS 97 -1.225 4.110 -10.923 582 HZ3 LYS 97 HZ2 LYS 97 -0.781 2.473 -10.990 583 H THR 98 HN THR 98 3.855 6.758 -6.957 584 HA THR 98 HA THR 98 5.809 4.916 -5.921 585 HB THR 98 HB THR 98 6.028 7.909 -5.722 586 HG1 THR 98 HG1 THR 98 6.915 7.664 -7.961 587 HG21 THR 98 HG23 THR 98 8.006 5.705 -6.336 588 HG22 THR 98 HG21 THR 98 7.839 6.565 -4.803 589 HG23 THR 98 HG22 THR 98 8.387 7.425 -6.241 590 H PHE 99 HN PHE 99 3.108 6.262 -4.655 591 HA PHE 99 HA PHE 99 4.185 6.534 -1.942 592 HD1 PHE 99 HD1 PHE 99 3.825 8.958 -0.842 593 HD2 PHE 99 HD2 PHE 99 1.942 8.882 -4.660 594 HE1 PHE 99 HE1 PHE 99 4.722 11.197 -1.324 595 HE2 PHE 99 HE2 PHE 99 2.837 11.123 -5.147 596 HZ PHE 99 HZ PHE 99 4.230 12.281 -3.480 597 HB2 PHE 99 HB2 PHE 99 1.472 7.203 -3.110 598 HB3 PHE 99 HB3 PHE 99 1.900 7.401 -1.413 599 H ILE 100 HN ILE 100 2.828 4.280 -4.000 600 HA ILE 100 HA ILE 100 1.253 2.795 -2.132 601 HB ILE 100 HB ILE 100 2.551 1.715 -4.642 602 HG12 ILE 100 HG12 ILE 100 -0.163 3.019 -4.344 603 HG13 ILE 100 HG13 ILE 100 1.227 3.736 -5.155 604 HG21 ILE 100 HG21 ILE 100 0.763 0.082 -4.592 605 HG22 ILE 100 HG22 ILE 100 1.656 0.051 -3.073 606 HG23 ILE 100 HG23 ILE 100 0.082 0.841 -3.152 607 HD11 ILE 100 HD13 ILE 100 1.179 1.957 -6.821 608 HD12 ILE 100 HD11 ILE 100 -0.200 1.225 -6.004 609 HD13 ILE 100 HD12 ILE 100 -0.360 2.815 -6.746 610 H ILE 101 HN ILE 101 2.536 2.456 -0.313 611 HA ILE 101 HA ILE 101 5.236 1.511 -0.560 612 HB ILE 101 HB ILE 101 5.179 1.404 1.929 613 HG12 ILE 101 HG12 ILE 101 2.425 2.606 1.585 614 HG13 ILE 101 HG13 ILE 101 2.753 0.977 2.173 615 HG21 ILE 101 HG21 ILE 101 4.315 4.008 0.675 616 HG22 ILE 101 HG22 ILE 101 5.133 3.831 2.228 617 HG23 ILE 101 HG23 ILE 101 5.960 3.377 0.736 618 HD11 ILE 101 HD13 ILE 101 3.900 1.899 4.108 619 HD12 ILE 101 HD11 ILE 101 3.607 3.532 3.508 620 HD13 ILE 101 HD12 ILE 101 2.250 2.513 3.987 621 H GLY 102 HN GLY 102 2.128 0.035 -0.177 622 HA2 GLY 102 HA1 GLY 102 3.124 -2.533 -0.699 623 HA3 GLY 102 HA2 GLY 102 2.903 -2.376 1.036 624 H GLU 103 HN GLU 103 1.434 -4.220 0.398 625 HA GLU 103 HA GLU 103 -1.210 -3.217 -0.417 626 HB2 GLU 103 HB2 GLU 103 -0.160 -6.054 -0.272 627 HB3 GLU 103 HB3 GLU 103 -1.794 -5.613 -0.727 628 HG2 GLU 103 HG2 GLU 103 -0.533 -6.132 -2.694 629 HG3 GLU 103 HG3 GLU 103 -0.898 -4.413 -2.683 630 H LEU 104 HN LEU 104 -2.903 -4.949 0.724 631 HA LEU 104 HA LEU 104 -2.504 -4.469 3.578 632 HG LEU 104 HG LEU 104 -5.246 -5.615 4.613 633 HB2 LEU 104 HB2 LEU 104 -4.605 -3.753 2.326 634 HB3 LEU 104 HB3 LEU 104 -5.014 -5.456 2.234 635 HD11 LEU 104 HD11 LEU 104 -3.350 -4.192 5.235 636 HD12 LEU 104 HD12 LEU 104 -4.262 -2.767 4.737 637 HD13 LEU 104 HD13 LEU 104 -4.816 -3.735 6.104 638 HD21 LEU 104 HD23 LEU 104 -6.999 -3.929 5.038 639 HD22 LEU 104 HD21 LEU 104 -6.503 -3.080 3.572 640 HD23 LEU 104 HD22 LEU 104 -7.171 -4.709 3.465 641 H HIS 105 HN HIS 105 -2.613 -6.143 5.108 642 HA HIS 105 HA HIS 105 -1.411 -8.558 4.263 643 HD1 HIS 105 HD1 HIS 105 0.310 -6.633 7.122 644 HD2 HIS 105 HD2 HIS 105 -0.113 -10.672 6.261 645 HE1 HIS 105 HE1 HIS 105 2.592 -7.626 7.432 646 HE2 HIS 105 HE2 HIS 105 2.320 -10.073 6.907 647 HB2 HIS 105 HB2 HIS 105 -2.077 -7.279 6.766 648 HB3 HIS 105 HB3 HIS 105 -2.447 -8.999 6.837 649 HA PRO 106 HA PRO 106 -4.335 -11.902 3.486 650 HB2 PRO 106 HB2 PRO 106 -3.493 -12.627 6.268 651 HB3 PRO 106 HB3 PRO 106 -3.667 -13.666 4.851 652 HG2 PRO 106 HG2 PRO 106 -1.281 -12.604 5.730 653 HG3 PRO 106 HG3 PRO 106 -1.592 -13.153 4.077 654 HD2 PRO 106 HD2 PRO 106 -1.065 -10.496 4.967 655 HD3 PRO 106 HD3 PRO 106 -1.470 -11.028 3.324 656 H ASP 107 HN ASP 107 -4.273 -10.410 6.630 657 HA ASP 107 HA ASP 107 -6.534 -10.967 7.935 658 HB2 ASP 107 HB2 ASP 107 -5.373 -8.202 7.508 659 HB3 ASP 107 HB3 ASP 107 -6.507 -8.620 8.785 660 H ASP 108 HN ASP 108 -6.243 -8.918 5.136 661 HA ASP 108 HA ASP 108 -9.171 -8.892 4.862 662 HB2 ASP 108 HB2 ASP 108 -8.642 -6.649 5.438 663 HB3 ASP 108 HB3 ASP 108 -7.204 -6.652 4.414 664 H ARG 109 HN ARG 109 -6.080 -8.430 3.151 665 HA ARG 109 HA ARG 109 -6.946 -8.512 0.535 666 HE ARG 109 HE ARG 109 -5.445 -10.233 -2.847 667 HB2 ARG 109 HB2 ARG 109 -4.571 -8.133 1.360 668 HB3 ARG 109 HB3 ARG 109 -4.418 -9.880 1.473 669 HG2 ARG 109 HG2 ARG 109 -5.270 -8.607 -1.097 670 HG3 ARG 109 HG3 ARG 109 -3.567 -8.658 -0.643 671 HD2 ARG 109 HD2 ARG 109 -3.467 -10.967 -0.775 672 HD3 ARG 109 HD3 ARG 109 -5.205 -11.158 -0.544 673 HH11 ARG 109 HH12 ARG 109 -2.434 -11.758 -1.884 674 HH12 ARG 109 HH11 ARG 109 -1.995 -12.194 -3.506 675 HH21 ARG 109 HH22 ARG 109 -4.897 -10.862 -4.967 676 HH22 ARG 109 HH21 ARG 109 -3.407 -11.718 -5.252 677 HA PRO 110 HA PRO 110 -9.812 -11.641 0.700 678 HB2 PRO 110 HB2 PRO 110 -8.553 -12.588 -1.840 679 HB3 PRO 110 HB3 PRO 110 -10.265 -12.393 -1.434 680 HG2 PRO 110 HG2 PRO 110 -8.723 -10.518 -2.782 681 HG3 PRO 110 HG3 PRO 110 -10.243 -10.176 -1.940 682 HD2 PRO 110 HD2 PRO 110 -7.643 -9.219 -1.273 683 HD3 PRO 110 HD3 PRO 110 -9.136 -9.004 -0.340 684 H LYS 111 HN LYS 111 -8.352 -12.461 2.549 685 HA LYS 111 HA LYS 111 -6.562 -14.401 2.586 686 HB2 LYS 111 HB2 LYS 111 -8.211 -15.463 4.459 687 HB3 LYS 111 HB3 LYS 111 -7.191 -14.054 4.716 688 HG2 LYS 111 HG2 LYS 111 -9.128 -12.613 4.072 689 HG3 LYS 111 HG3 LYS 111 -10.120 -14.075 4.011 690 HD2 LYS 111 HD2 LYS 111 -9.686 -14.491 6.354 691 HD3 LYS 111 HD3 LYS 111 -8.594 -13.106 6.424 692 HE2 LYS 111 HE2 LYS 111 -10.478 -11.635 5.817 693 HE3 LYS 111 HE3 LYS 111 -11.552 -13.032 5.848 694 HZ1 LYS 111 HZ3 LYS 111 -9.995 -12.002 8.162 695 HZ2 LYS 111 HZ1 LYS 111 -11.045 -13.334 8.187 696 HZ3 LYS 111 HZ2 LYS 111 -11.656 -11.781 7.909 697 H LEU 112 HN LEU 112 -10.011 -15.159 2.108 698 HA LEU 112 HA LEU 112 -9.197 -17.525 0.611 699 HG LEU 112 HG LEU 112 -11.567 -19.320 0.970 700 HB2 LEU 112 HB2 LEU 112 -9.610 -18.194 2.978 701 HB3 LEU 112 HB3 LEU 112 -11.266 -17.637 2.809 702 HD11 LEU 112 HD11 LEU 112 -9.954 -21.131 0.785 703 HD12 LEU 112 HD12 LEU 112 -9.210 -19.586 0.372 704 HD13 LEU 112 HD13 LEU 112 -8.898 -20.324 1.945 705 HD21 LEU 112 HD23 LEU 112 -10.786 -20.347 3.698 706 HD22 LEU 112 HD21 LEU 112 -12.380 -19.781 3.198 707 HD23 LEU 112 HD22 LEU 112 -11.708 -21.253 2.495 708 H ASN 113 HN ASN 113 -12.149 -15.851 1.779 709 HA ASN 113 HA ASN 113 -13.136 -15.634 -0.944 710 HB2 ASN 113 HB2 ASN 113 -13.721 -17.958 -0.185 711 HB3 ASN 113 HB3 ASN 113 -14.671 -17.243 1.113 712 HD21 ASN 113 HD21 ASN 113 -16.611 -16.202 0.618 713 HD22 ASN 113 HD22 ASN 113 -17.397 -16.405 -0.911 714 H LYS 114 HN LYS 114 -13.122 -13.371 -0.444 715 HA LYS 114 HA LYS 114 -15.531 -12.587 0.993 716 HB2 LYS 114 HB2 LYS 114 -14.384 -10.744 2.177 717 HB3 LYS 114 HB3 LYS 114 -13.869 -12.334 2.717 718 HG2 LYS 114 HG2 LYS 114 -11.785 -12.134 1.603 719 HG3 LYS 114 HG3 LYS 114 -12.313 -10.692 0.733 720 HD2 LYS 114 HD2 LYS 114 -11.881 -10.931 3.715 721 HD3 LYS 114 HD3 LYS 114 -10.842 -10.078 2.568 722 HE2 LYS 114 HE2 LYS 114 -12.699 -8.555 2.039 723 HE3 LYS 114 HE3 LYS 114 -13.716 -9.399 3.202 724 HZ1 LYS 114 HZ3 LYS 114 -12.910 -7.520 4.308 725 HZ2 LYS 114 HZ1 LYS 114 -11.327 -7.726 3.739 726 HZ3 LYS 114 HZ2 LYS 114 -11.965 -8.790 4.892 727 HA PRO 115 HA PRO 115 -15.188 -10.091 -2.777 728 HB2 PRO 115 HB2 PRO 115 -17.622 -10.861 -3.777 729 HB3 PRO 115 HB3 PRO 115 -16.102 -11.689 -4.111 730 HG2 PRO 115 HG2 PRO 115 -18.361 -12.594 -2.531 731 HG3 PRO 115 HG3 PRO 115 -16.933 -13.500 -3.051 732 HD2 PRO 115 HD2 PRO 115 -17.499 -12.299 -0.454 733 HD3 PRO 115 HD3 PRO 115 -16.212 -13.435 -0.913 734 HA PRO 116 HA PRO 116 -17.826 -7.046 -0.808 735 HB2 PRO 116 HB2 PRO 116 -16.499 -5.013 -2.334 736 HB3 PRO 116 HB3 PRO 116 -16.246 -5.442 -0.645 737 HG2 PRO 116 HG2 PRO 116 -14.386 -5.802 -2.664 738 HG3 PRO 116 HG3 PRO 116 -14.389 -6.648 -1.106 739 HD2 PRO 116 HD2 PRO 116 -15.361 -7.586 -3.774 740 HD3 PRO 116 HD3 PRO 116 -14.524 -8.492 -2.496 741 H GLU 117 HN GLU 117 -17.821 -8.067 -3.995 742 HA GLU 117 HA GLU 117 -18.758 -6.251 -5.673 743 HB2 GLU 117 HB2 GLU 117 -19.538 -9.102 -5.319 744 HB3 GLU 117 HB3 GLU 117 -20.441 -8.134 -6.477 745 HG2 GLU 117 HG2 GLU 117 -18.784 -9.099 -7.768 746 HG3 GLU 117 HG3 GLU 117 -18.142 -7.497 -7.422 747 H THR 118 HN THR 118 -21.079 -8.036 -3.646 748 HA THR 118 HA THR 118 -22.509 -5.573 -3.104 749 HB THR 118 HB THR 118 -24.095 -7.879 -4.239 750 HG1 THR 118 HG1 THR 118 -22.574 -5.992 -5.550 751 HG21 THR 118 HG23 THR 118 -25.827 -6.200 -4.525 752 HG22 THR 118 HG21 THR 118 -24.737 -4.941 -3.946 753 HG23 THR 118 HG22 THR 118 -25.276 -6.211 -2.848 754 H LEU 119 HN LEU 119 -22.075 -5.873 -0.946 755 HA LEU 119 HA LEU 119 -22.979 -8.409 0.228 756 HG LEU 119 HG LEU 119 -21.980 -8.143 3.007 757 HB2 LEU 119 HB2 LEU 119 -20.537 -7.744 0.386 758 HB3 LEU 119 HB3 LEU 119 -21.047 -6.446 1.448 759 HD11 LEU 119 HD11 LEU 119 -22.390 -9.950 1.450 760 HD12 LEU 119 HD12 LEU 119 -20.665 -10.079 1.105 761 HD13 LEU 119 HD13 LEU 119 -21.276 -10.489 2.707 762 HD21 LEU 119 HD23 LEU 119 -19.773 -7.207 3.370 763 HD22 LEU 119 HD21 LEU 119 -19.799 -8.908 3.832 764 HD23 LEU 119 HD22 LEU 119 -19.061 -8.423 2.305 765 H ILE 120 HN ILE 120 -22.336 -5.286 1.775 766 HA ILE 120 HA ILE 120 -24.819 -5.569 3.220 767 HB ILE 120 HB ILE 120 -23.025 -4.903 4.600 768 HG12 ILE 120 HG12 ILE 120 -23.716 -2.658 5.445 769 HG13 ILE 120 HG13 ILE 120 -24.733 -2.475 4.022 770 HG21 ILE 120 HG21 ILE 120 -21.406 -4.100 3.086 771 HG22 ILE 120 HG22 ILE 120 -22.434 -2.757 2.583 772 HG23 ILE 120 HG23 ILE 120 -21.744 -2.781 4.206 773 HD11 ILE 120 HD13 ILE 120 -26.068 -4.382 4.720 774 HD12 ILE 120 HD11 ILE 120 -25.029 -4.605 6.127 775 HD13 ILE 120 HD12 ILE 120 -26.011 -3.147 5.978 776 H THR 121 HN THR 121 -26.356 -5.282 1.683 777 HA THR 121 HA THR 121 -26.583 -2.661 0.402 778 HB THR 121 HB THR 121 -28.509 -4.976 0.171 779 HG1 THR 121 HG1 THR 121 -25.971 -4.890 -0.642 780 HG21 THR 121 HG23 THR 121 -27.888 -2.683 -1.695 781 HG22 THR 121 HG21 THR 121 -29.276 -2.762 -0.611 782 HG23 THR 121 HG22 THR 121 -29.120 -3.922 -1.928 783 H THR 122 HN THR 122 -28.351 -4.807 2.590 784 HA THR 122 HA THR 122 -29.388 -2.615 4.102 785 HB THR 122 HB THR 122 -31.013 -2.621 2.248 786 HG1 THR 122 HG1 THR 122 -32.577 -2.281 3.635 787 HG21 THR 122 HG23 THR 122 -30.845 -4.919 1.515 788 HG22 THR 122 HG21 THR 122 -32.521 -4.560 1.938 789 HG23 THR 122 HG22 THR 122 -31.510 -5.491 3.044 790 H ILE 123 HN ILE 123 -31.410 -3.993 5.449 791 HA ILE 123 HA ILE 123 -29.840 -5.514 7.245 792 HB ILE 123 HB ILE 123 -32.856 -5.398 7.063 793 HG12 ILE 123 HG12 ILE 123 -30.981 -3.672 8.698 794 HG13 ILE 123 HG13 ILE 123 -31.782 -3.154 7.215 795 HG21 ILE 123 HG21 ILE 123 -32.793 -5.957 9.448 796 HG22 ILE 123 HG22 ILE 123 -32.042 -7.216 8.468 797 HG23 ILE 123 HG23 ILE 123 -31.036 -6.082 9.370 798 HD11 ILE 123 HD13 ILE 123 -33.146 -3.963 9.773 799 HD12 ILE 123 HD11 ILE 123 -32.945 -2.316 9.166 800 HD13 ILE 123 HD12 ILE 123 -33.952 -3.463 8.284 801 H ASP 124 HN ASP 124 -32.507 -6.479 5.089 802 HA ASP 124 HA ASP 124 -31.298 -8.950 4.367 803 HB2 ASP 124 HB2 ASP 124 -32.359 -9.210 6.808 804 HB3 ASP 124 HB3 ASP 124 -33.840 -9.409 5.878 805 H SER 125 HN SER 125 -33.567 -10.367 3.599 806 HA SER 125 HA SER 125 -34.872 -8.462 1.776 807 HG SER 125 HG SER 125 -34.333 -9.673 -0.666 808 HB2 SER 125 HB2 SER 125 -34.123 -11.339 1.520 809 HB3 SER 125 HB3 SER 125 -35.552 -10.781 0.655 810 H SER 126 HN SER 126 -37.136 -9.513 1.054 811 HA SER 126 HA SER 126 -38.587 -10.163 3.537 812 HG SER 126 HG SER 126 -41.129 -9.953 2.519 813 HB2 SER 126 HB2 SER 126 -39.155 -7.931 2.622 814 HB3 SER 126 HB3 SER 126 -39.614 -8.679 1.094 815 H SER 127 HN SER 127 -40.010 -10.212 0.369 816 HA SER 127 HA SER 127 -39.789 -13.142 0.252 817 HG SER 127 HG SER 127 -42.017 -12.892 1.294 818 HB2 SER 127 HB2 SER 127 -41.853 -11.388 -1.114 819 HB3 SER 127 HB3 SER 127 -41.850 -13.152 -1.024 820 H SER 128 HN SER 128 -39.261 -10.102 -1.265 821 HA SER 128 HA SER 128 -37.898 -11.404 -3.506 822 HG SER 128 HG SER 128 -40.096 -10.588 -4.068 823 HB2 SER 128 HB2 SER 128 -38.561 -8.460 -3.183 824 HB3 SER 128 HB3 SER 128 -37.986 -9.265 -4.644 825 HHA HEM 129 HHA HEM 129 -6.032 17.501 -6.604 826 HHB HEM 129 HHB HEM 129 -1.804 12.694 -5.887 827 HHC HEM 129 HHC HEM 129 -5.099 10.605 -0.811 828 HHD HEM 129 HHD HEM 129 -9.600 15.126 -1.798 829 HAB HEM 129 HAB HEM 129 -2.946 9.686 -0.631 830 HAC HEM 129 HAC HEM 129 -10.520 13.400 -0.308 831 HMA1 HEM 129 HMA1 HEM 129 -1.553 15.554 -8.549 832 HMA2 HEM 129 HMA2 HEM 129 -0.800 14.898 -7.093 833 HMA3 HEM 129 HMA3 HEM 129 -1.607 13.822 -8.243 834 HAA1 HEM 129 HAA1 HEM 129 -4.405 17.812 -8.200 835 HAA2 HEM 129 HAA2 HEM 129 -3.100 17.105 -8.366 836 HBA1 HEM 129 HBA1 HEM 129 -2.759 16.050 -9.895 837 HBA2 HEM 129 HBA2 HEM 129 -3.946 17.199 -10.540 838 HMB1 HEM 129 HMB1 HEM 129 -0.044 11.362 -3.555 839 HMB2 HEM 129 HMB2 HEM 129 -0.799 10.177 -4.810 840 HMB3 HEM 129 HMB3 HEM 129 -0.859 10.139 -3.287 841 HBB1 HEM 129 HBB1 HEM 129 -2.027 8.387 -3.225 842 HBB2 HEM 129 HBB2 HEM 129 -2.060 7.660 -1.501 843 HMC1 HEM 129 HMC1 HEM 129 -7.868 11.284 1.595 844 HMC2 HEM 129 HMC2 HEM 129 -7.758 10.039 0.346 845 HMC3 HEM 129 HMC3 HEM 129 -6.285 10.807 1.034 846 HBC1 HEM 129 HBC1 HEM 129 -10.635 13.242 2.053 847 HBC2 HEM 129 HBC2 HEM 129 -8.863 12.721 2.169 848 HMD1 HEM 129 HMD1 HEM 129 -10.625 16.923 -2.410 849 HMD2 HEM 129 HMD2 HEM 129 -10.706 18.150 -3.826 850 HMD3 HEM 129 HMD3 HEM 129 -9.645 18.033 -2.753 851 HAD1 HEM 129 HAD1 HEM 129 -9.281 18.259 -6.544 852 HAD2 HEM 129 HAD2 HEM 129 -9.255 18.723 -5.106 853 HBD1 HEM 129 HBD1 HEM 129 -7.978 20.322 -6.677 854 HBD2 HEM 129 HBD2 HEM 129 -6.831 19.750 -5.450 Start of MODEL 5 1 HA MET 21 HA MET 21 17.306 -4.268 -3.740 2 H1 MET 21 1H MET 21 15.521 -3.700 -5.804 3 HB2 MET 21 HB2 MET 21 16.559 -2.058 -2.864 4 HB3 MET 21 HB3 MET 21 14.908 -2.652 -2.828 5 HG2 MET 21 HG2 MET 21 15.582 -4.363 -1.192 6 HG3 MET 21 HG3 MET 21 17.218 -3.698 -1.204 7 HE1 MET 21 HE3 MET 21 15.921 -2.478 2.277 8 HE2 MET 21 HE1 MET 21 15.537 -4.020 1.517 9 HE3 MET 21 HE2 MET 21 17.173 -3.371 1.416 10 H ALA 22 HN ALA 22 13.798 -3.903 -3.909 11 HA ALA 22 HA ALA 22 13.371 -6.705 -4.487 12 HB1 ALA 22 HB3 ALA 22 13.466 -6.720 -2.036 13 HB2 ALA 22 HB1 ALA 22 12.236 -5.457 -1.976 14 HB3 ALA 22 HB2 ALA 22 11.830 -7.051 -2.608 15 H GLU 23 HN GLU 23 11.925 -6.634 -6.106 16 HA GLU 23 HA GLU 23 11.216 -4.088 -7.037 17 HB2 GLU 23 HB2 GLU 23 10.252 -6.768 -8.017 18 HB3 GLU 23 HB3 GLU 23 10.114 -5.246 -8.892 19 HG2 GLU 23 HG2 GLU 23 12.661 -6.647 -8.109 20 HG3 GLU 23 HG3 GLU 23 11.988 -6.499 -9.733 21 H GLN 24 HN GLN 24 8.697 -6.582 -6.893 22 HA GLN 24 HA GLN 24 7.023 -5.118 -5.124 23 HB2 GLN 24 HB2 GLN 24 7.024 -3.713 -7.279 24 HB3 GLN 24 HB3 GLN 24 6.072 -5.014 -7.981 25 HG2 GLN 24 HG2 GLN 24 4.455 -4.696 -6.068 26 HG3 GLN 24 HG3 GLN 24 5.353 -3.235 -5.667 27 HE21 GLN 24 HE21 GLN 24 2.576 -3.478 -6.471 28 HE22 GLN 24 HE22 GLN 24 2.408 -2.557 -7.932 29 H SER 25 HN SER 25 5.912 -6.685 -8.082 30 HA SER 25 HA SER 25 4.231 -8.367 -6.378 31 HG SER 25 HG SER 25 2.140 -8.801 -9.292 32 HB2 SER 25 HB2 SER 25 3.233 -6.946 -8.191 33 HB3 SER 25 HB3 SER 25 4.122 -7.896 -9.375 34 H ASP 26 HN ASP 26 6.785 -8.483 -8.633 35 HA ASP 26 HA ASP 26 6.676 -10.926 -9.852 36 HB2 ASP 26 HB2 ASP 26 8.275 -8.949 -10.126 37 HB3 ASP 26 HB3 ASP 26 9.227 -9.693 -8.847 38 H GLU 27 HN GLU 27 7.889 -10.163 -6.669 39 HA GLU 27 HA GLU 27 9.062 -12.833 -6.359 40 HB2 GLU 27 HB2 GLU 27 10.145 -11.580 -4.333 41 HB3 GLU 27 HB3 GLU 27 10.741 -11.284 -5.964 42 HG2 GLU 27 HG2 GLU 27 9.545 -9.232 -6.117 43 HG3 GLU 27 HG3 GLU 27 8.682 -9.557 -4.617 44 H ALA 28 HN ALA 28 7.181 -10.399 -4.651 45 HA ALA 28 HA ALA 28 5.399 -12.212 -3.453 46 HB1 ALA 28 HB3 ALA 28 7.314 -12.864 -2.097 47 HB2 ALA 28 HB1 ALA 28 7.600 -11.182 -1.654 48 HB3 ALA 28 HB2 ALA 28 6.139 -12.004 -1.104 49 H VAL 29 HN VAL 29 3.640 -11.028 -3.269 50 HA VAL 29 HA VAL 29 3.591 -8.213 -3.426 51 HB VAL 29 HB VAL 29 1.397 -10.035 -2.401 52 HG11 VAL 29 HG11 VAL 29 -0.116 -8.302 -3.256 53 HG12 VAL 29 HG12 VAL 29 0.932 -7.707 -1.967 54 HG13 VAL 29 HG13 VAL 29 1.278 -7.297 -3.645 55 HG21 VAL 29 HG23 VAL 29 0.578 -10.075 -4.718 56 HG22 VAL 29 HG21 VAL 29 2.033 -9.217 -5.229 57 HG23 VAL 29 HG22 VAL 29 2.159 -10.839 -4.547 58 H LYS 30 HN LYS 30 4.125 -6.822 -1.866 59 HA LYS 30 HA LYS 30 4.709 -7.764 0.758 60 HB2 LYS 30 HB2 LYS 30 4.695 -4.932 -0.310 61 HB3 LYS 30 HB3 LYS 30 5.284 -5.404 1.278 62 HG2 LYS 30 HG2 LYS 30 7.237 -5.299 0.076 63 HG3 LYS 30 HG3 LYS 30 6.826 -7.009 -0.071 64 HD2 LYS 30 HD2 LYS 30 5.819 -6.576 -2.263 65 HD3 LYS 30 HD3 LYS 30 6.246 -4.869 -2.121 66 HE2 LYS 30 HE2 LYS 30 7.880 -5.999 -3.503 67 HE3 LYS 30 HE3 LYS 30 8.628 -5.512 -1.980 68 HZ1 LYS 30 HZ3 LYS 30 7.591 -8.238 -2.542 69 HZ2 LYS 30 HZ1 LYS 30 8.444 -7.750 -1.165 70 HZ3 LYS 30 HZ2 LYS 30 9.226 -7.792 -2.670 71 H TYR 31 HN TYR 31 3.540 -7.603 2.623 72 HA TYR 31 HA TYR 31 0.948 -6.228 2.388 73 HD1 TYR 31 HD2 TYR 31 -0.537 -7.303 1.141 74 HD2 TYR 31 HD1 TYR 31 1.423 -10.736 2.718 75 HE1 TYR 31 HE2 TYR 31 -1.148 -8.582 -0.875 76 HE2 TYR 31 HE1 TYR 31 0.819 -12.015 0.722 77 HH TYR 31 HH TYR 31 -0.998 -11.909 -1.035 78 HB2 TYR 31 HB2 TYR 31 1.522 -8.780 3.898 79 HB3 TYR 31 HB3 TYR 31 -0.022 -7.936 3.853 80 H TYR 32 HN TYR 32 0.168 -5.140 4.136 81 HA TYR 32 HA TYR 32 1.847 -5.044 6.554 82 HD1 TYR 32 HD2 TYR 32 1.676 -3.063 3.398 83 HD2 TYR 32 HD1 TYR 32 2.788 -1.920 7.344 84 HE1 TYR 32 HE2 TYR 32 3.708 -1.992 2.510 85 HE2 TYR 32 HE1 TYR 32 4.826 -0.860 6.472 86 HH TYR 32 HH TYR 32 5.344 -0.356 3.097 87 HB2 TYR 32 HB2 TYR 32 0.008 -2.948 5.357 88 HB3 TYR 32 HB3 TYR 32 0.674 -2.831 6.982 89 H THR 33 HN THR 33 -0.271 -3.957 8.219 90 HA THR 33 HA THR 33 -2.385 -5.991 7.883 91 HB THR 33 HB THR 33 -2.724 -5.777 10.374 92 HG1 THR 33 HG1 THR 33 -0.140 -4.565 10.279 93 HG21 THR 33 HG23 THR 33 -0.862 -7.251 10.968 94 HG22 THR 33 HG21 THR 33 -0.014 -6.788 9.494 95 HG23 THR 33 HG22 THR 33 -1.525 -7.689 9.393 96 H LEU 34 HN LEU 34 -4.355 -5.037 9.515 97 HA LEU 34 HA LEU 34 -4.968 -2.403 8.437 98 HG LEU 34 HG LEU 34 -7.409 -1.805 10.226 99 HB2 LEU 34 HB2 LEU 34 -6.673 -4.236 8.599 100 HB3 LEU 34 HB3 LEU 34 -6.565 -4.123 10.342 101 HD11 LEU 34 HD11 LEU 34 -6.707 -1.111 8.053 102 HD12 LEU 34 HD12 LEU 34 -7.621 -2.408 7.284 103 HD13 LEU 34 HD13 LEU 34 -8.470 -1.088 8.083 104 HD21 LEU 34 HD23 LEU 34 -9.160 -3.849 8.859 105 HD22 LEU 34 HD21 LEU 34 -8.941 -3.673 10.602 106 HD23 LEU 34 HD22 LEU 34 -9.711 -2.386 9.674 107 H GLU 35 HN GLU 35 -4.409 -4.021 11.467 108 HA GLU 35 HA GLU 35 -5.266 -2.060 13.220 109 HB2 GLU 35 HB2 GLU 35 -3.953 -3.350 14.909 110 HB3 GLU 35 HB3 GLU 35 -5.053 -4.317 13.939 111 HG2 GLU 35 HG2 GLU 35 -3.253 -5.175 12.625 112 HG3 GLU 35 HG3 GLU 35 -2.112 -4.057 13.371 113 H GLU 36 HN GLU 36 -2.185 -2.521 11.684 114 HA GLU 36 HA GLU 36 -0.757 -0.753 13.463 115 HB2 GLU 36 HB2 GLU 36 1.176 -1.356 12.251 116 HB3 GLU 36 HB3 GLU 36 0.208 -2.815 12.381 117 HG2 GLU 36 HG2 GLU 36 -0.561 -2.530 10.086 118 HG3 GLU 36 HG3 GLU 36 0.368 -1.032 9.963 119 H ILE 37 HN ILE 37 -2.423 -0.566 10.478 120 HA ILE 37 HA ILE 37 -1.263 1.868 9.513 121 HB ILE 37 HB ILE 37 -4.002 0.768 8.860 122 HG12 ILE 37 HG12 ILE 37 -2.010 -0.869 8.572 123 HG13 ILE 37 HG13 ILE 37 -3.089 -0.630 7.206 124 HG21 ILE 37 HG21 ILE 37 -3.642 3.040 8.104 125 HG22 ILE 37 HG22 ILE 37 -2.129 2.568 7.331 126 HG23 ILE 37 HG23 ILE 37 -3.659 1.942 6.723 127 HD11 ILE 37 HD13 ILE 37 -1.447 0.926 6.248 128 HD12 ILE 37 HD11 ILE 37 -0.373 0.565 7.599 129 HD13 ILE 37 HD12 ILE 37 -0.822 -0.710 6.468 130 H GLN 38 HN GLN 38 -3.877 0.915 11.598 131 HA GLN 38 HA GLN 38 -5.055 3.458 12.040 132 HB2 GLN 38 HB2 GLN 38 -4.943 0.934 13.711 133 HB3 GLN 38 HB3 GLN 38 -5.858 2.359 14.184 134 HG2 GLN 38 HG2 GLN 38 -6.309 1.007 11.549 135 HG3 GLN 38 HG3 GLN 38 -7.116 0.473 13.021 136 HE21 GLN 38 HE21 GLN 38 -6.814 3.044 10.678 137 HE22 GLN 38 HE22 GLN 38 -8.256 3.880 11.151 138 H LYS 39 HN LYS 39 -2.184 1.941 13.057 139 HA LYS 39 HA LYS 39 -1.690 3.679 15.344 140 HB2 LYS 39 HB2 LYS 39 -1.196 1.221 15.351 141 HB3 LYS 39 HB3 LYS 39 -0.004 1.490 14.092 142 HG2 LYS 39 HG2 LYS 39 1.407 2.691 15.563 143 HG3 LYS 39 HG3 LYS 39 0.152 2.779 16.803 144 HD2 LYS 39 HD2 LYS 39 1.878 1.062 17.298 145 HD3 LYS 39 HD3 LYS 39 0.261 0.372 17.128 146 HE2 LYS 39 HE2 LYS 39 0.774 -0.334 14.856 147 HE3 LYS 39 HE3 LYS 39 2.352 0.444 14.954 148 HZ1 LYS 39 HZ3 LYS 39 3.022 -1.084 16.633 149 HZ2 LYS 39 HZ1 LYS 39 2.447 -1.964 15.311 150 HZ3 LYS 39 HZ2 LYS 39 1.486 -1.797 16.696 151 H HIS 40 HN HIS 40 -1.541 3.962 12.144 152 HA HIS 40 HA HIS 40 0.822 5.719 12.139 153 HD1 HIS 40 HD1 HIS 40 1.444 1.614 10.141 154 HD2 HIS 40 HD2 HIS 40 3.038 4.769 12.320 155 HE1 HIS 40 HE1 HIS 40 3.520 0.698 11.227 156 HE2 HIS 40 HE2 HIS 40 4.615 2.702 12.287 157 HB2 HIS 40 HB2 HIS 40 -0.033 3.662 10.108 158 HB3 HIS 40 HB3 HIS 40 1.100 4.952 9.731 159 H ASN 41 HN ASN 41 -1.804 6.459 12.642 160 HA ASN 41 HA ASN 41 -2.876 7.660 10.164 161 HB2 ASN 41 HB2 ASN 41 -4.994 7.732 11.327 162 HB3 ASN 41 HB3 ASN 41 -4.316 6.121 11.547 163 HD21 ASN 41 HD21 ASN 41 -6.271 7.561 13.151 164 HD22 ASN 41 HD22 ASN 41 -5.623 7.625 14.750 165 H HIS 42 HN HIS 42 -0.644 8.709 11.971 166 HA HIS 42 HA HIS 42 -1.911 11.175 12.971 167 HD1 HIS 42 HD1 HIS 42 1.550 9.539 13.051 168 HD2 HIS 42 HD2 HIS 42 -0.262 7.877 16.399 169 HE1 HIS 42 HE1 HIS 42 3.095 7.715 13.802 170 HE2 HIS 42 HE2 HIS 42 2.034 6.791 15.891 171 HB2 HIS 42 HB2 HIS 42 -0.533 10.982 15.034 172 HB3 HIS 42 HB3 HIS 42 -1.737 9.711 14.886 173 H SER 43 HN SER 43 -0.006 12.575 14.004 174 HA SER 43 HA SER 43 1.274 13.951 12.133 175 HG SER 43 HG SER 43 2.918 15.576 13.295 176 HB2 SER 43 HB2 SER 43 1.285 14.594 14.471 177 HB3 SER 43 HB3 SER 43 2.386 13.277 14.866 178 H LYS 44 HN LYS 44 3.120 11.458 13.907 179 HA LYS 44 HA LYS 44 5.511 11.889 12.556 180 HB2 LYS 44 HB2 LYS 44 4.820 10.486 14.760 181 HB3 LYS 44 HB3 LYS 44 5.067 9.167 13.628 182 HG2 LYS 44 HG2 LYS 44 7.319 10.103 13.112 183 HG3 LYS 44 HG3 LYS 44 7.075 11.276 14.407 184 HD2 LYS 44 HD2 LYS 44 8.344 9.506 15.342 185 HD3 LYS 44 HD3 LYS 44 6.700 9.306 15.950 186 HE2 LYS 44 HE2 LYS 44 7.626 7.162 15.285 187 HE3 LYS 44 HE3 LYS 44 6.284 7.600 14.230 188 HZ1 LYS 44 HZ3 LYS 44 9.141 8.056 13.550 189 HZ2 LYS 44 HZ1 LYS 44 7.809 8.225 12.520 190 HZ3 LYS 44 HZ2 LYS 44 8.264 6.685 13.064 191 H SER 45 HN SER 45 2.792 10.114 11.528 192 HA SER 45 HA SER 45 4.075 9.294 9.108 193 HG SER 45 HG SER 45 5.594 8.017 10.436 194 HB2 SER 45 HB2 SER 45 2.980 7.115 10.910 195 HB3 SER 45 HB3 SER 45 3.685 6.897 9.317 196 H THR 46 HN THR 46 2.531 10.009 7.730 197 HA THR 46 HA THR 46 -0.275 9.621 8.514 198 HB THR 46 HB THR 46 0.828 11.300 6.253 199 HG1 THR 46 HG1 THR 46 0.972 11.763 8.809 200 HG21 THR 46 HG23 THR 46 -1.417 12.312 6.233 201 HG22 THR 46 HG21 THR 46 -1.932 11.188 7.490 202 HG23 THR 46 HG22 THR 46 -1.497 10.584 5.892 203 H TRP 47 HN TRP 47 -0.788 7.560 7.953 204 HA TRP 47 HA TRP 47 -0.273 6.764 5.174 205 HD1 TRP 47 HD1 TRP 47 1.858 6.701 5.848 206 HE1 TRP 47 HE1 TRP 47 4.053 5.368 6.027 207 HE3 TRP 47 HE3 TRP 47 -0.046 2.324 7.626 208 HZ2 TRP 47 HZ2 TRP 47 4.854 2.766 6.849 209 HZ3 TRP 47 HZ3 TRP 47 1.485 0.464 8.094 210 HH2 TRP 47 HH2 TRP 47 3.874 0.675 7.715 211 HB2 TRP 47 HB2 TRP 47 -0.822 5.168 7.661 212 HB3 TRP 47 HB3 TRP 47 -1.027 4.468 6.061 213 H LEU 48 HN LEU 48 -1.988 5.359 4.217 214 HA LEU 48 HA LEU 48 -4.646 5.467 5.256 215 HG LEU 48 HG LEU 48 -3.560 6.196 1.806 216 HB2 LEU 48 HB2 LEU 48 -5.714 6.547 3.336 217 HB3 LEU 48 HB3 LEU 48 -4.649 7.665 4.168 218 HD11 LEU 48 HD11 LEU 48 -5.425 8.554 1.623 219 HD12 LEU 48 HD12 LEU 48 -4.466 7.897 0.297 220 HD13 LEU 48 HD13 LEU 48 -5.743 6.925 1.028 221 HD21 LEU 48 HD23 LEU 48 -3.239 8.984 2.917 222 HD22 LEU 48 HD21 LEU 48 -2.097 7.650 3.075 223 HD23 LEU 48 HD22 LEU 48 -2.408 8.361 1.491 224 H ILE 49 HN ILE 49 -6.155 4.426 3.564 225 HA ILE 49 HA ILE 49 -4.682 2.454 1.949 226 HB ILE 49 HB ILE 49 -7.218 1.880 3.512 227 HG12 ILE 49 HG12 ILE 49 -4.384 0.986 4.105 228 HG13 ILE 49 HG13 ILE 49 -5.240 2.249 4.980 229 HG21 ILE 49 HG21 ILE 49 -7.017 0.524 1.513 230 HG22 ILE 49 HG22 ILE 49 -5.355 0.105 1.929 231 HG23 ILE 49 HG23 ILE 49 -6.686 -0.481 2.925 232 HD11 ILE 49 HD13 ILE 49 -5.264 0.191 6.221 233 HD12 ILE 49 HD11 ILE 49 -6.894 0.610 5.705 234 HD13 ILE 49 HD12 ILE 49 -6.003 -0.656 4.861 235 H LEU 50 HN LEU 50 -5.674 1.967 -0.028 236 HA LEU 50 HA LEU 50 -8.149 3.436 -0.597 237 HG LEU 50 HG LEU 50 -6.049 5.428 -0.974 238 HB2 LEU 50 HB2 LEU 50 -5.633 3.344 -2.169 239 HB3 LEU 50 HB3 LEU 50 -7.155 3.489 -3.022 240 HD11 LEU 50 HD11 LEU 50 -5.960 6.950 -2.898 241 HD12 LEU 50 HD12 LEU 50 -4.950 5.522 -3.129 242 HD13 LEU 50 HD13 LEU 50 -6.507 5.638 -3.944 243 HD21 LEU 50 HD23 LEU 50 -8.473 5.297 -0.766 244 HD22 LEU 50 HD21 LEU 50 -7.996 6.815 -1.529 245 HD23 LEU 50 HD22 LEU 50 -8.651 5.505 -2.508 246 H HIS 51 HN HIS 51 -6.483 1.475 -2.933 247 HA HIS 51 HA HIS 51 -8.863 -0.238 -2.945 248 HD1 HIS 51 HD1 HIS 51 -8.867 0.568 -7.384 249 HD2 HIS 51 HD2 HIS 51 -9.613 2.088 -3.587 250 HE1 HIS 51 HE1 HIS 51 -10.746 2.216 -7.666 251 HE2 HIS 51 HE2 HIS 51 -11.312 2.944 -5.322 252 HB2 HIS 51 HB2 HIS 51 -6.861 0.409 -5.111 253 HB3 HIS 51 HB3 HIS 51 -7.999 -0.926 -5.258 254 H HIS 52 HN HIS 52 -7.855 -1.230 -0.995 255 HA HIS 52 HA HIS 52 -7.038 -3.142 -0.028 256 HD1 HIS 52 HD1 HIS 52 -7.608 -6.613 -2.875 257 HD2 HIS 52 HD2 HIS 52 -9.417 -3.345 -1.048 258 HE1 HIS 52 HE1 HIS 52 -10.056 -7.156 -2.775 259 HE2 HIS 52 HE2 HIS 52 -11.131 -5.189 -1.630 260 HB2 HIS 52 HB2 HIS 52 -6.393 -3.893 -2.881 261 HB3 HIS 52 HB3 HIS 52 -5.987 -4.922 -1.517 262 H LYS 53 HN LYS 53 -5.389 -0.667 -0.989 263 HA LYS 53 HA LYS 53 -2.750 -1.814 -0.413 264 HB2 LYS 53 HB2 LYS 53 -3.290 0.239 -2.578 265 HB3 LYS 53 HB3 LYS 53 -1.731 -0.472 -2.173 266 HG2 LYS 53 HG2 LYS 53 -2.279 -2.525 -3.093 267 HG3 LYS 53 HG3 LYS 53 -4.012 -2.215 -3.007 268 HD2 LYS 53 HD2 LYS 53 -3.723 -1.887 -5.231 269 HD3 LYS 53 HD3 LYS 53 -3.326 -0.259 -4.686 270 HE2 LYS 53 HE2 LYS 53 -1.695 -1.112 -6.308 271 HE3 LYS 53 HE3 LYS 53 -0.964 -0.795 -4.735 272 HZ1 LYS 53 HZ3 LYS 53 -0.293 -2.942 -5.768 273 HZ2 LYS 53 HZ1 LYS 53 -1.890 -3.487 -5.584 274 HZ3 LYS 53 HZ2 LYS 53 -0.956 -3.090 -4.220 275 H VAL 54 HN VAL 54 -1.443 -0.599 0.869 276 HA VAL 54 HA VAL 54 -2.667 1.726 2.149 277 HB VAL 54 HB VAL 54 -1.707 0.017 3.592 278 HG11 VAL 54 HG11 VAL 54 0.894 0.603 2.193 279 HG12 VAL 54 HG12 VAL 54 0.732 -0.366 3.657 280 HG13 VAL 54 HG13 VAL 54 -0.016 -0.906 2.153 281 HG21 VAL 54 HG23 VAL 54 -1.663 2.282 4.414 282 HG22 VAL 54 HG21 VAL 54 -0.201 1.443 4.932 283 HG23 VAL 54 HG22 VAL 54 -0.134 2.585 3.589 284 H TYR 55 HN TYR 55 -1.708 3.784 2.182 285 HA TYR 55 HA TYR 55 0.550 4.187 0.330 286 HD1 TYR 55 HD2 TYR 55 -2.847 3.549 -0.035 287 HD2 TYR 55 HD1 TYR 55 -0.729 6.326 -2.473 288 HE1 TYR 55 HE2 TYR 55 -3.929 2.615 -2.030 289 HE2 TYR 55 HE1 TYR 55 -1.832 5.406 -4.479 290 HH TYR 55 HH TYR 55 -2.951 3.379 -5.211 291 HB2 TYR 55 HB2 TYR 55 -1.829 6.016 0.745 292 HB3 TYR 55 HB3 TYR 55 -0.411 6.414 -0.210 293 H ASP 56 HN ASP 56 1.947 5.970 0.830 294 HA ASP 56 HA ASP 56 1.719 6.979 3.597 295 HB2 ASP 56 HB2 ASP 56 3.690 5.417 3.173 296 HB3 ASP 56 HB3 ASP 56 4.314 6.627 2.066 297 H LEU 57 HN LEU 57 2.030 9.247 3.830 298 HA LEU 57 HA LEU 57 2.538 10.654 1.287 299 HG LEU 57 HG LEU 57 -0.342 10.018 2.423 300 HB2 LEU 57 HB2 LEU 57 0.990 11.793 3.601 301 HB3 LEU 57 HB3 LEU 57 1.262 12.538 2.050 302 HD11 LEU 57 HD11 LEU 57 -1.458 11.841 3.545 303 HD12 LEU 57 HD12 LEU 57 -1.225 12.885 2.141 304 HD13 LEU 57 HD13 LEU 57 -2.292 11.483 2.032 305 HD21 LEU 57 HD23 LEU 57 -1.131 10.565 0.145 306 HD22 LEU 57 HD21 LEU 57 0.043 11.879 0.084 307 HD23 LEU 57 HD22 LEU 57 0.597 10.209 0.206 308 H THR 58 HN THR 58 3.454 10.242 4.548 309 HA THR 58 HA THR 58 3.641 12.459 5.858 310 HB THR 58 HB THR 58 6.041 10.710 6.022 311 HG1 THR 58 HG1 THR 58 4.384 9.235 5.723 312 HG21 THR 58 HG23 THR 58 5.570 10.956 8.445 313 HG22 THR 58 HG21 THR 58 4.206 12.002 8.050 314 HG23 THR 58 HG22 THR 58 5.848 12.509 7.657 315 H LYS 59 HN LYS 59 5.552 12.557 3.016 316 HA LYS 59 HA LYS 59 6.733 15.049 4.069 317 HB2 LYS 59 HB2 LYS 59 7.472 13.286 1.751 318 HB3 LYS 59 HB3 LYS 59 7.911 14.989 1.738 319 HG2 LYS 59 HG2 LYS 59 8.963 14.524 4.033 320 HG3 LYS 59 HG3 LYS 59 8.850 12.822 3.573 321 HD2 LYS 59 HD2 LYS 59 10.201 13.181 1.639 322 HD3 LYS 59 HD3 LYS 59 10.131 14.931 1.850 323 HE2 LYS 59 HE2 LYS 59 11.325 14.613 4.039 324 HE3 LYS 59 HE3 LYS 59 11.565 12.926 3.585 325 HZ1 LYS 59 HZ3 LYS 59 13.497 14.199 2.997 326 HZ2 LYS 59 HZ1 LYS 59 12.567 15.312 2.121 327 HZ3 LYS 59 HZ2 LYS 59 12.718 13.714 1.574 328 H PHE 60 HN PHE 60 4.559 13.584 1.885 329 HA PHE 60 HA PHE 60 4.256 15.546 -0.085 330 HD1 PHE 60 HD2 PHE 60 3.906 15.027 -2.255 331 HD2 PHE 60 HD1 PHE 60 0.349 13.405 -0.568 332 HE1 PHE 60 HE2 PHE 60 2.685 15.560 -4.326 333 HE2 PHE 60 HE1 PHE 60 -0.876 13.931 -2.637 334 HZ PHE 60 HZ PHE 60 0.290 15.010 -4.519 335 HB2 PHE 60 HB2 PHE 60 3.701 13.098 -0.254 336 HB3 PHE 60 HB3 PHE 60 2.260 13.423 0.698 337 H LEU 61 HN LEU 61 3.145 15.406 3.039 338 HA LEU 61 HA LEU 61 0.527 16.183 3.082 339 HG LEU 61 HG LEU 61 2.581 14.543 4.779 340 HB2 LEU 61 HB2 LEU 61 2.705 17.021 4.995 341 HB3 LEU 61 HB3 LEU 61 0.982 17.057 5.333 342 HD11 LEU 61 HD11 LEU 61 2.318 14.086 7.157 343 HD12 LEU 61 HD12 LEU 61 3.207 15.587 6.900 344 HD13 LEU 61 HD13 LEU 61 1.508 15.637 7.377 345 HD21 LEU 61 HD23 LEU 61 -0.239 14.865 5.797 346 HD22 LEU 61 HD21 LEU 61 0.179 14.459 4.133 347 HD23 LEU 61 HD22 LEU 61 0.596 13.354 5.443 348 H GLU 62 HN GLU 62 3.262 18.127 2.294 349 HA GLU 62 HA GLU 62 1.892 20.630 2.889 350 HB2 GLU 62 HB2 GLU 62 4.698 20.203 1.868 351 HB3 GLU 62 HB3 GLU 62 4.057 21.642 2.657 352 HG2 GLU 62 HG2 GLU 62 3.719 20.284 4.716 353 HG3 GLU 62 HG3 GLU 62 4.514 18.939 3.902 354 H GLU 63 HN GLU 63 2.417 18.579 0.255 355 HA GLU 63 HA GLU 63 2.417 20.767 -1.707 356 HB2 GLU 63 HB2 GLU 63 3.338 17.917 -1.809 357 HB3 GLU 63 HB3 GLU 63 2.969 18.778 -3.295 358 HG2 GLU 63 HG2 GLU 63 4.589 20.562 -2.433 359 HG3 GLU 63 HG3 GLU 63 5.118 19.327 -1.290 360 H HIS 64 HN HIS 64 0.500 18.160 -0.510 361 HA HIS 64 HA HIS 64 -1.172 17.907 -2.775 362 HD1 HIS 64 HD1 HIS 64 -4.159 16.878 0.359 363 HD2 HIS 64 HD2 HIS 64 -2.721 15.097 -3.167 364 HE1 HIS 64 HE1 HIS 64 -6.093 15.536 -0.636 365 HB2 HIS 64 HB3 HIS 64 -0.871 16.101 -1.141 366 HB3 HIS 64 HB2 HIS 64 -1.608 17.060 0.106 367 HA PRO 65 HA PRO 65 -3.827 21.524 -2.621 368 HB2 PRO 65 HB2 PRO 65 -5.939 19.394 -2.680 369 HB3 PRO 65 HB3 PRO 65 -5.838 20.893 -3.610 370 HG2 PRO 65 HG2 PRO 65 -5.136 18.516 -4.660 371 HG3 PRO 65 HG3 PRO 65 -4.313 20.021 -5.104 372 HD2 PRO 65 HD2 PRO 65 -3.327 17.751 -3.530 373 HD3 PRO 65 HD3 PRO 65 -2.417 19.054 -4.315 374 H GLY 66 HN GLY 66 -4.917 18.730 -0.686 375 HA2 GLY 66 HA1 GLY 66 -5.990 20.544 1.328 376 HA3 GLY 66 HA2 GLY 66 -6.177 18.793 1.302 377 H GLY 67 HN GLY 67 -4.959 21.045 3.148 378 HA2 GLY 67 HA1 GLY 67 -2.246 20.329 3.519 379 HA3 GLY 67 HA2 GLY 67 -3.248 21.214 4.660 380 H GLU 68 HN GLU 68 -1.345 19.402 5.445 381 HA GLU 68 HA GLU 68 -1.719 16.828 5.887 382 HB2 GLU 68 HB2 GLU 68 -0.984 17.315 8.358 383 HB3 GLU 68 HB3 GLU 68 0.103 17.621 7.007 384 HG2 GLU 68 HG2 GLU 68 -0.356 19.935 7.056 385 HG3 GLU 68 HG3 GLU 68 -1.670 19.721 8.212 386 H GLU 69 HN GLU 69 -3.446 19.274 7.726 387 HA GLU 69 HA GLU 69 -4.618 17.740 9.678 388 HB2 GLU 69 HB2 GLU 69 -5.745 20.168 8.297 389 HB3 GLU 69 HB3 GLU 69 -6.283 19.540 9.851 390 HG2 GLU 69 HG2 GLU 69 -3.995 19.932 10.734 391 HG3 GLU 69 HG3 GLU 69 -3.579 20.686 9.197 392 H VAL 70 HN VAL 70 -5.708 18.229 6.338 393 HA VAL 70 HA VAL 70 -8.319 17.137 7.080 394 HB VAL 70 HB VAL 70 -9.078 17.869 4.827 395 HG11 VAL 70 HG11 VAL 70 -9.041 20.296 5.326 396 HG12 VAL 70 HG12 VAL 70 -9.483 19.309 6.720 397 HG13 VAL 70 HG13 VAL 70 -7.859 19.987 6.597 398 HG21 VAL 70 HG23 VAL 70 -7.650 19.434 3.579 399 HG22 VAL 70 HG21 VAL 70 -6.321 19.062 4.680 400 HG23 VAL 70 HG22 VAL 70 -6.986 17.801 3.646 401 H LEU 71 HN LEU 71 -5.456 15.933 5.997 402 HA LEU 71 HA LEU 71 -6.569 13.843 4.342 403 HG LEU 71 HG LEU 71 -3.059 13.864 3.298 404 HB2 LEU 71 HB2 LEU 71 -3.893 14.245 5.661 405 HB3 LEU 71 HB3 LEU 71 -4.318 12.722 4.909 406 HD11 LEU 71 HD11 LEU 71 -5.932 14.434 2.594 407 HD12 LEU 71 HD12 LEU 71 -4.584 14.272 1.470 408 HD13 LEU 71 HD13 LEU 71 -5.123 12.879 2.404 409 HD21 LEU 71 HD23 LEU 71 -3.475 16.168 2.602 410 HD22 LEU 71 HD21 LEU 71 -4.735 16.307 3.829 411 HD23 LEU 71 HD22 LEU 71 -3.056 16.065 4.311 412 H ARG 72 HN ARG 72 -5.818 14.513 7.623 413 HA ARG 72 HA ARG 72 -5.487 12.007 8.757 414 HE ARG 72 HE ARG 72 -3.631 13.824 12.400 415 HB2 ARG 72 HB2 ARG 72 -6.550 14.542 10.004 416 HB3 ARG 72 HB3 ARG 72 -5.983 13.141 10.902 417 HG2 ARG 72 HG2 ARG 72 -3.760 13.441 10.114 418 HG3 ARG 72 HG3 ARG 72 -4.269 14.695 8.982 419 HD2 ARG 72 HD2 ARG 72 -3.350 15.884 10.760 420 HD3 ARG 72 HD3 ARG 72 -5.085 15.958 11.056 421 HH11 ARG 72 HH12 ARG 72 -5.135 16.958 12.594 422 HH12 ARG 72 HH11 ARG 72 -5.057 17.053 14.325 423 HH21 ARG 72 HH22 ARG 72 -3.492 13.928 14.697 424 HH22 ARG 72 HH21 ARG 72 -4.129 15.315 15.520 425 H GLU 73 HN GLU 73 -8.310 13.634 7.837 426 HA GLU 73 HA GLU 73 -10.242 12.701 9.636 427 HB2 GLU 73 HB2 GLU 73 -10.712 13.425 6.746 428 HB3 GLU 73 HB3 GLU 73 -11.863 13.512 8.067 429 HG2 GLU 73 HG2 GLU 73 -9.407 15.209 7.757 430 HG3 GLU 73 HG3 GLU 73 -11.058 15.706 7.407 431 H GLN 74 HN GLN 74 -8.783 11.327 6.859 432 HA GLN 74 HA GLN 74 -10.566 8.975 6.921 433 HB2 GLN 74 HB2 GLN 74 -9.409 10.490 4.583 434 HB3 GLN 74 HB3 GLN 74 -10.010 8.845 4.428 435 HG2 GLN 74 HG2 GLN 74 -11.723 11.016 5.564 436 HG3 GLN 74 HG3 GLN 74 -11.568 10.793 3.819 437 HE21 GLN 74 HE21 GLN 74 -12.324 8.851 2.905 438 HE22 GLN 74 HE22 GLN 74 -13.485 7.850 3.709 439 H ALA 75 HN ALA 75 -7.598 10.132 7.532 440 HA ALA 75 HA ALA 75 -5.966 8.194 6.185 441 HB1 ALA 75 HB3 ALA 75 -5.157 10.458 6.540 442 HB2 ALA 75 HB1 ALA 75 -5.244 10.233 8.285 443 HB3 ALA 75 HB2 ALA 75 -4.107 9.283 7.327 444 H GLY 76 HN GLY 76 -4.812 6.554 7.087 445 HA2 GLY 76 HA1 GLY 76 -4.105 5.106 8.809 446 HA3 GLY 76 HA2 GLY 76 -5.322 5.803 9.872 447 H GLY 77 HN GLY 77 -7.089 5.399 7.240 448 HA2 GLY 77 HA1 GLY 77 -7.369 2.491 7.420 449 HA3 GLY 77 HA2 GLY 77 -8.779 3.484 7.813 450 H ASP 78 HN ASP 78 -9.843 2.460 5.972 451 HA ASP 78 HA ASP 78 -8.659 2.801 3.383 452 HB2 ASP 78 HB2 ASP 78 -10.349 0.971 4.208 453 HB3 ASP 78 HB3 ASP 78 -11.559 2.155 3.725 454 H ALA 79 HN ALA 79 -9.172 4.245 1.790 455 HA ALA 79 HA ALA 79 -11.023 6.409 2.533 456 HB1 ALA 79 HB3 ALA 79 -8.692 7.152 2.734 457 HB2 ALA 79 HB1 ALA 79 -8.416 6.721 1.048 458 HB3 ALA 79 HB2 ALA 79 -9.548 8.011 1.453 459 H THR 80 HN THR 80 -10.737 3.868 0.587 460 HA THR 80 HA THR 80 -10.664 4.611 -2.062 461 HB THR 80 HB THR 80 -10.655 2.289 -1.341 462 HG1 THR 80 HG1 THR 80 -12.963 2.463 -2.971 463 HG21 THR 80 HG23 THR 80 -13.605 2.680 -0.812 464 HG22 THR 80 HG21 THR 80 -12.363 2.412 0.412 465 HG23 THR 80 HG22 THR 80 -12.743 1.142 -0.752 466 H GLU 81 HN GLU 81 -13.256 5.193 0.119 467 HA GLU 81 HA GLU 81 -15.510 5.047 -1.477 468 HB2 GLU 81 HB2 GLU 81 -14.926 7.072 0.703 469 HB3 GLU 81 HB3 GLU 81 -16.520 6.573 0.157 470 HG2 GLU 81 HG2 GLU 81 -16.363 4.499 1.169 471 HG3 GLU 81 HG3 GLU 81 -14.605 4.545 1.233 472 H ASN 82 HN ASN 82 -13.205 7.699 -1.115 473 HA ASN 82 HA ASN 82 -14.666 9.631 -2.604 474 HB2 ASN 82 HB2 ASN 82 -12.853 11.042 -2.320 475 HB3 ASN 82 HB3 ASN 82 -12.622 9.939 -0.971 476 HD21 ASN 82 HD21 ASN 82 -10.954 8.339 -1.127 477 HD22 ASN 82 HD22 ASN 82 -9.642 8.539 -2.236 478 H PHE 83 HN PHE 83 -12.611 7.017 -3.449 479 HA PHE 83 HA PHE 83 -11.868 8.127 -6.038 480 HD1 PHE 83 HD1 PHE 83 -9.493 8.535 -6.192 481 HD2 PHE 83 HD2 PHE 83 -9.964 4.346 -6.735 482 HE1 PHE 83 HE1 PHE 83 -7.823 8.588 -7.995 483 HE2 PHE 83 HE2 PHE 83 -8.294 4.390 -8.545 484 HZ PHE 83 HZ PHE 83 -7.213 6.513 -9.171 485 HB2 PHE 83 HB2 PHE 83 -10.369 6.816 -4.337 486 HB3 PHE 83 HB3 PHE 83 -11.127 5.392 -5.035 487 H GLU 84 HN GLU 84 -14.341 6.422 -4.707 488 HA GLU 84 HA GLU 84 -15.044 5.141 -7.256 489 HB2 GLU 84 HB2 GLU 84 -16.237 3.438 -5.976 490 HB3 GLU 84 HB3 GLU 84 -14.563 3.520 -5.468 491 HG2 GLU 84 HG2 GLU 84 -15.293 4.881 -3.522 492 HG3 GLU 84 HG3 GLU 84 -16.957 4.505 -3.983 493 H ASP 85 HN ASP 85 -15.461 7.857 -6.039 494 HA ASP 85 HA ASP 85 -18.401 7.977 -6.167 495 HB2 ASP 85 HB2 ASP 85 -17.574 8.383 -3.885 496 HB3 ASP 85 HB3 ASP 85 -16.534 9.664 -4.487 497 H VAL 86 HN VAL 86 -16.187 10.726 -5.948 498 HA VAL 86 HA VAL 86 -16.238 11.130 -8.844 499 HB VAL 86 HB VAL 86 -16.845 13.537 -8.600 500 HG11 VAL 86 HG11 VAL 86 -18.975 11.603 -7.697 501 HG12 VAL 86 HG12 VAL 86 -19.258 13.202 -8.385 502 HG13 VAL 86 HG13 VAL 86 -18.516 11.938 -9.366 503 HG21 VAL 86 HG23 VAL 86 -16.333 13.853 -6.255 504 HG22 VAL 86 HG21 VAL 86 -18.028 14.250 -6.553 505 HG23 VAL 86 HG22 VAL 86 -17.602 12.714 -5.801 506 H GLY 87 HN GLY 87 -14.223 10.509 -6.743 507 HA2 GLY 87 HA1 GLY 87 -12.744 13.002 -6.413 508 HA3 GLY 87 HA2 GLY 87 -12.418 11.485 -5.600 509 H HIS 88 HN HIS 88 -11.055 13.584 -7.474 510 HA HIS 88 HA HIS 88 -9.033 13.588 -8.451 511 HD1 HIS 88 HD1 HIS 88 -8.988 10.164 -5.628 512 HD2 HIS 88 HD2 HIS 88 -6.807 13.527 -6.780 513 HE1 HIS 88 HE1 HIS 88 -7.819 11.017 -3.538 514 HB2 HIS 88 HB2 HIS 88 -9.122 10.592 -8.088 515 HB3 HIS 88 HB3 HIS 88 -7.743 11.463 -8.744 516 H SER 89 HN SER 89 -8.284 13.727 -10.500 517 HA SER 89 HA SER 89 -9.890 12.427 -12.574 518 HG SER 89 HG SER 89 -7.158 15.141 -13.174 519 HB2 SER 89 HB2 SER 89 -8.778 14.132 -14.096 520 HB3 SER 89 HB3 SER 89 -9.883 14.794 -12.892 521 H THR 90 HN THR 90 -8.227 12.318 -14.687 522 HA THR 90 HA THR 90 -6.898 9.944 -14.331 523 HB THR 90 HB THR 90 -5.976 11.955 -16.365 524 HG1 THR 90 HG1 THR 90 -8.328 10.377 -16.696 525 HG21 THR 90 HG23 THR 90 -6.491 8.981 -16.513 526 HG22 THR 90 HG21 THR 90 -4.907 9.741 -16.345 527 HG23 THR 90 HG22 THR 90 -5.856 9.990 -17.812 528 H ASP 91 HN ASP 91 -5.666 13.207 -13.941 529 HA ASP 91 HA ASP 91 -2.944 12.915 -14.149 530 HB2 ASP 91 HB2 ASP 91 -4.284 14.636 -12.061 531 HB3 ASP 91 HB3 ASP 91 -2.761 14.937 -12.892 532 H ALA 92 HN ALA 92 -4.923 12.511 -11.244 533 HA ALA 92 HA ALA 92 -2.714 12.130 -9.485 534 HB1 ALA 92 HB3 ALA 92 -4.385 11.807 -7.786 535 HB2 ALA 92 HB1 ALA 92 -4.828 13.170 -8.811 536 HB3 ALA 92 HB2 ALA 92 -5.641 11.616 -9.011 537 H ARG 93 HN ARG 93 -4.044 10.063 -11.697 538 HA ARG 93 HA ARG 93 -3.843 7.658 -10.074 539 HE ARG 93 HE ARG 93 -6.069 5.402 -12.170 540 HB2 ARG 93 HB2 ARG 93 -4.414 8.036 -13.016 541 HB3 ARG 93 HB3 ARG 93 -4.529 6.515 -12.144 542 HG2 ARG 93 HG2 ARG 93 -6.275 7.543 -10.702 543 HG3 ARG 93 HG3 ARG 93 -6.227 8.965 -11.751 544 HD2 ARG 93 HD2 ARG 93 -8.027 7.460 -12.380 545 HD3 ARG 93 HD3 ARG 93 -6.828 7.588 -13.662 546 HH11 ARG 93 HH12 ARG 93 -8.978 6.349 -13.864 547 HH12 ARG 93 HH11 ARG 93 -9.396 4.725 -14.327 548 HH21 ARG 93 HH22 ARG 93 -6.579 3.260 -12.793 549 HH22 ARG 93 HH21 ARG 93 -8.011 2.959 -13.730 550 H GLU 94 HN GLU 94 -1.784 9.634 -11.761 551 HA GLU 94 HA GLU 94 0.065 7.475 -12.537 552 HB2 GLU 94 HB2 GLU 94 -0.283 10.308 -13.542 553 HB3 GLU 94 HB3 GLU 94 1.117 9.329 -13.946 554 HG2 GLU 94 HG2 GLU 94 -1.703 8.488 -14.559 555 HG3 GLU 94 HG3 GLU 94 -0.714 9.440 -15.665 556 H MET 95 HN MET 95 -0.490 10.222 -10.598 557 HA MET 95 HA MET 95 2.249 10.668 -9.840 558 HB2 MET 95 HB2 MET 95 0.729 12.542 -9.960 559 HB3 MET 95 HB3 MET 95 -0.389 11.757 -8.859 560 HG2 MET 95 HG2 MET 95 0.774 13.502 -7.713 561 HG3 MET 95 HG3 MET 95 1.270 11.946 -7.060 562 HE1 MET 95 HE3 MET 95 4.466 14.076 -6.599 563 HE2 MET 95 HE1 MET 95 2.782 14.570 -6.409 564 HE3 MET 95 HE2 MET 95 3.303 12.984 -5.846 565 H SER 96 HN SER 96 -0.503 8.868 -8.682 566 HA SER 96 HA SER 96 0.398 8.916 -5.959 567 HG SER 96 HG SER 96 -2.761 8.108 -7.942 568 HB2 SER 96 HB2 SER 96 -1.664 7.611 -5.499 569 HB3 SER 96 HB3 SER 96 -1.957 9.150 -6.316 570 H LYS 97 HN LYS 97 0.833 6.892 -8.614 571 HA LYS 97 HA LYS 97 0.396 4.372 -7.468 572 HB2 LYS 97 HB2 LYS 97 1.670 3.515 -9.454 573 HB3 LYS 97 HB3 LYS 97 0.300 4.549 -9.817 574 HG2 LYS 97 HG2 LYS 97 1.757 6.400 -10.296 575 HG3 LYS 97 HG3 LYS 97 3.167 5.458 -9.799 576 HD2 LYS 97 HD2 LYS 97 2.794 3.887 -11.607 577 HD3 LYS 97 HD3 LYS 97 1.318 4.731 -12.071 578 HE2 LYS 97 HE2 LYS 97 2.570 6.675 -12.717 579 HE3 LYS 97 HE3 LYS 97 4.063 5.973 -12.089 580 HZ1 LYS 97 HZ3 LYS 97 2.471 4.917 -14.367 581 HZ2 LYS 97 HZ1 LYS 97 3.894 4.228 -13.751 582 HZ3 LYS 97 HZ2 LYS 97 3.943 5.756 -14.486 583 H THR 98 HN THR 98 3.126 6.472 -7.280 584 HA THR 98 HA THR 98 4.853 4.301 -6.383 585 HB THR 98 HB THR 98 6.448 6.418 -6.158 586 HG1 THR 98 HG1 THR 98 5.785 8.115 -7.310 587 HG21 THR 98 HG23 THR 98 7.262 5.946 -8.377 588 HG22 THR 98 HG21 THR 98 5.714 5.237 -8.838 589 HG23 THR 98 HG22 THR 98 6.726 4.436 -7.637 590 H PHE 99 HN PHE 99 2.588 6.205 -5.033 591 HA PHE 99 HA PHE 99 3.961 6.535 -2.472 592 HD1 PHE 99 HD1 PHE 99 3.824 8.847 -1.230 593 HD2 PHE 99 HD2 PHE 99 1.780 9.129 -4.954 594 HE1 PHE 99 HE1 PHE 99 4.873 11.033 -1.636 595 HE2 PHE 99 HE2 PHE 99 2.822 11.323 -5.364 596 HZ PHE 99 HZ PHE 99 4.370 12.277 -3.700 597 HB2 PHE 99 HB2 PHE 99 1.252 7.411 -3.490 598 HB3 PHE 99 HB3 PHE 99 1.698 7.525 -1.792 599 H ILE 100 HN ILE 100 2.257 4.270 -4.177 600 HA ILE 100 HA ILE 100 0.758 3.038 -2.086 601 HB ILE 100 HB ILE 100 1.753 1.694 -4.604 602 HG12 ILE 100 HG12 ILE 100 -0.792 3.297 -4.203 603 HG13 ILE 100 HG13 ILE 100 0.572 3.764 -5.213 604 HG21 ILE 100 HG21 ILE 100 -0.307 0.333 -4.246 605 HG22 ILE 100 HG22 ILE 100 0.908 0.163 -2.978 606 HG23 ILE 100 HG23 ILE 100 -0.517 1.164 -2.703 607 HD11 ILE 100 HD13 ILE 100 -1.241 1.404 -5.643 608 HD12 ILE 100 HD11 ILE 100 -1.203 2.901 -6.577 609 HD13 ILE 100 HD12 ILE 100 0.173 1.800 -6.622 610 H ILE 101 HN ILE 101 1.927 2.335 -0.320 611 HA ILE 101 HA ILE 101 4.650 1.416 -0.780 612 HB ILE 101 HB ILE 101 4.894 1.472 1.686 613 HG12 ILE 101 HG12 ILE 101 2.133 2.702 1.614 614 HG13 ILE 101 HG13 ILE 101 2.490 1.084 2.207 615 HG21 ILE 101 HG21 ILE 101 5.531 3.360 0.292 616 HG22 ILE 101 HG22 ILE 101 3.892 4.004 0.393 617 HG23 ILE 101 HG23 ILE 101 4.895 3.915 1.840 618 HD11 ILE 101 HD13 ILE 101 3.459 3.679 3.369 619 HD12 ILE 101 HD11 ILE 101 2.229 2.612 4.044 620 HD13 ILE 101 HD12 ILE 101 3.907 2.078 3.958 621 H GLY 102 HN GLY 102 1.613 -0.056 -0.332 622 HA2 GLY 102 HA1 GLY 102 2.538 -2.611 -0.754 623 HA3 GLY 102 HA2 GLY 102 2.579 -2.419 0.991 624 H GLU 103 HN GLU 103 1.060 -4.349 0.447 625 HA GLU 103 HA GLU 103 -1.683 -3.364 0.089 626 HB2 GLU 103 HB2 GLU 103 -0.445 -6.081 -0.312 627 HB3 GLU 103 HB3 GLU 103 -2.182 -5.866 -0.192 628 HG2 GLU 103 HG2 GLU 103 -1.465 -6.002 -2.503 629 HG3 GLU 103 HG3 GLU 103 -2.161 -4.426 -2.146 630 H LEU 104 HN LEU 104 -3.128 -5.332 1.287 631 HA LEU 104 HA LEU 104 -2.486 -4.864 4.108 632 HG LEU 104 HG LEU 104 -4.507 -3.242 2.435 633 HB2 LEU 104 HB2 LEU 104 -5.083 -5.631 2.776 634 HB3 LEU 104 HB3 LEU 104 -4.884 -5.417 4.504 635 HD11 LEU 104 HD11 LEU 104 -6.576 -2.302 3.337 636 HD12 LEU 104 HD12 LEU 104 -6.856 -3.904 2.651 637 HD13 LEU 104 HD13 LEU 104 -6.754 -3.700 4.398 638 HD21 LEU 104 HD23 LEU 104 -3.105 -2.938 4.402 639 HD22 LEU 104 HD21 LEU 104 -4.408 -1.750 4.365 640 HD23 LEU 104 HD22 LEU 104 -4.508 -3.140 5.448 641 H HIS 105 HN HIS 105 -2.971 -6.572 5.669 642 HA HIS 105 HA HIS 105 -1.697 -9.008 5.063 643 HD1 HIS 105 HD1 HIS 105 -3.248 -10.825 8.655 644 HD2 HIS 105 HD2 HIS 105 0.290 -9.417 6.970 645 HE1 HIS 105 HE1 HIS 105 -1.444 -12.405 9.435 646 HE2 HIS 105 HE2 HIS 105 0.702 -11.427 8.559 647 HB2 HIS 105 HB2 HIS 105 -2.203 -7.720 7.328 648 HB3 HIS 105 HB3 HIS 105 -3.610 -8.773 7.355 649 HA PRO 106 HA PRO 106 -4.328 -12.213 3.365 650 HB2 PRO 106 HB2 PRO 106 -4.503 -13.008 6.248 651 HB3 PRO 106 HB3 PRO 106 -4.271 -14.030 4.825 652 HG2 PRO 106 HG2 PRO 106 -2.237 -13.057 6.430 653 HG3 PRO 106 HG3 PRO 106 -2.036 -13.632 4.770 654 HD2 PRO 106 HD2 PRO 106 -1.637 -10.998 5.726 655 HD3 PRO 106 HD3 PRO 106 -1.660 -11.521 4.030 656 H ASP 107 HN ASP 107 -5.610 -10.732 6.348 657 HA ASP 107 HA ASP 107 -8.282 -11.791 5.841 658 HB2 ASP 107 HB2 ASP 107 -7.137 -11.837 8.128 659 HB3 ASP 107 HB3 ASP 107 -7.315 -10.087 8.151 660 H ASP 108 HN ASP 108 -6.435 -8.935 6.083 661 HA ASP 108 HA ASP 108 -8.530 -7.015 5.794 662 HB2 ASP 108 HB2 ASP 108 -5.595 -6.539 5.321 663 HB3 ASP 108 HB3 ASP 108 -6.787 -5.448 6.034 664 H ARG 109 HN ARG 109 -6.638 -8.945 3.791 665 HA ARG 109 HA ARG 109 -6.002 -7.241 1.657 666 HE ARG 109 HE ARG 109 -5.693 -11.684 -0.372 667 HB2 ARG 109 HB2 ARG 109 -4.859 -9.427 2.245 668 HB3 ARG 109 HB3 ARG 109 -6.229 -10.251 1.515 669 HG2 ARG 109 HG2 ARG 109 -5.736 -9.236 -0.636 670 HG3 ARG 109 HG3 ARG 109 -4.406 -8.327 0.081 671 HD2 ARG 109 HD2 ARG 109 -3.330 -10.129 -0.923 672 HD3 ARG 109 HD3 ARG 109 -3.478 -10.635 0.758 673 HH11 ARG 109 HH12 ARG 109 -2.281 -11.846 -1.203 674 HH12 ARG 109 HH11 ARG 109 -2.426 -13.353 -2.052 675 HH21 ARG 109 HH22 ARG 109 -5.859 -13.727 -1.463 676 HH22 ARG 109 HH21 ARG 109 -4.438 -14.430 -2.160 677 HA PRO 110 HA PRO 110 -9.886 -8.756 -0.538 678 HB2 PRO 110 HB2 PRO 110 -11.547 -10.454 1.037 679 HB3 PRO 110 HB3 PRO 110 -10.617 -10.885 -0.398 680 HG2 PRO 110 HG2 PRO 110 -10.117 -11.810 2.175 681 HG3 PRO 110 HG3 PRO 110 -8.965 -11.844 0.830 682 HD2 PRO 110 HD2 PRO 110 -9.187 -9.913 3.094 683 HD3 PRO 110 HD3 PRO 110 -7.736 -10.549 2.290 684 H LYS 111 HN LYS 111 -9.984 -8.133 2.862 685 HA LYS 111 HA LYS 111 -11.021 -6.512 4.075 686 HB2 LYS 111 HB2 LYS 111 -11.841 -5.666 1.332 687 HB3 LYS 111 HB3 LYS 111 -12.589 -4.907 2.731 688 HG2 LYS 111 HG2 LYS 111 -10.471 -4.124 3.519 689 HG3 LYS 111 HG3 LYS 111 -9.621 -5.043 2.272 690 HD2 LYS 111 HD2 LYS 111 -9.816 -2.655 1.695 691 HD3 LYS 111 HD3 LYS 111 -10.632 -3.701 0.533 692 HE2 LYS 111 HE2 LYS 111 -12.101 -1.899 0.898 693 HE3 LYS 111 HE3 LYS 111 -12.767 -3.237 1.836 694 HZ1 LYS 111 HZ3 LYS 111 -12.844 -1.317 3.188 695 HZ2 LYS 111 HZ1 LYS 111 -11.237 -0.900 2.828 696 HZ3 LYS 111 HZ2 LYS 111 -11.575 -2.258 3.786 697 H LEU 112 HN LEU 112 -13.034 -8.266 1.821 698 HA LEU 112 HA LEU 112 -15.510 -7.572 3.067 699 HG LEU 112 HG LEU 112 -17.387 -9.555 1.891 700 HB2 LEU 112 HB2 LEU 112 -15.023 -8.171 0.611 701 HB3 LEU 112 HB3 LEU 112 -15.050 -9.839 1.143 702 HD11 LEU 112 HD11 LEU 112 -17.098 -6.803 0.684 703 HD12 LEU 112 HD12 LEU 112 -18.616 -7.528 1.215 704 HD13 LEU 112 HD13 LEU 112 -17.348 -7.176 2.390 705 HD21 LEU 112 HD23 LEU 112 -18.385 -9.447 -0.329 706 HD22 LEU 112 HD21 LEU 112 -16.900 -8.744 -0.975 707 HD23 LEU 112 HD22 LEU 112 -16.897 -10.396 -0.355 708 H ASN 113 HN ASN 113 -13.770 -8.762 4.985 709 HA ASN 113 HA ASN 113 -13.883 -10.177 6.761 710 HB2 ASN 113 HB2 ASN 113 -16.307 -9.787 6.715 711 HB3 ASN 113 HB3 ASN 113 -16.505 -11.085 5.549 712 HD21 ASN 113 HD21 ASN 113 -14.377 -11.166 8.374 713 HD22 ASN 113 HD22 ASN 113 -15.254 -12.405 9.200 714 H LYS 114 HN LYS 114 -13.744 -11.199 3.624 715 HA LYS 114 HA LYS 114 -13.047 -12.994 2.474 716 HB2 LYS 114 HB2 LYS 114 -11.365 -14.259 3.317 717 HB3 LYS 114 HB3 LYS 114 -11.437 -13.122 4.652 718 HG2 LYS 114 HG2 LYS 114 -12.952 -14.736 5.828 719 HG3 LYS 114 HG3 LYS 114 -12.626 -15.890 4.536 720 HD2 LYS 114 HD2 LYS 114 -11.197 -16.345 6.431 721 HD3 LYS 114 HD3 LYS 114 -10.216 -15.755 5.085 722 HE2 LYS 114 HE2 LYS 114 -9.555 -14.735 7.219 723 HE3 LYS 114 HE3 LYS 114 -10.143 -13.545 6.063 724 HZ1 LYS 114 HZ3 LYS 114 -10.983 -13.166 8.319 725 HZ2 LYS 114 HZ1 LYS 114 -11.757 -14.679 8.297 726 HZ3 LYS 114 HZ2 LYS 114 -12.246 -13.457 7.225 727 HA PRO 115 HA PRO 115 -17.048 -14.887 2.582 728 HB2 PRO 115 HB2 PRO 115 -15.815 -16.439 0.355 729 HB3 PRO 115 HB3 PRO 115 -17.356 -15.577 0.409 730 HG2 PRO 115 HG2 PRO 115 -15.279 -14.555 -0.903 731 HG3 PRO 115 HG3 PRO 115 -16.364 -13.510 0.037 732 HD2 PRO 115 HD2 PRO 115 -13.626 -14.496 0.703 733 HD3 PRO 115 HD3 PRO 115 -14.371 -12.920 1.039 734 HA PRO 116 HA PRO 116 -15.520 -18.421 4.915 735 HB2 PRO 116 HB2 PRO 116 -18.106 -18.438 6.223 736 HB3 PRO 116 HB3 PRO 116 -16.526 -18.032 6.898 737 HG2 PRO 116 HG2 PRO 116 -18.492 -16.195 6.523 738 HG3 PRO 116 HG3 PRO 116 -16.766 -15.796 6.454 739 HD2 PRO 116 HD2 PRO 116 -18.682 -16.297 4.194 740 HD3 PRO 116 HD3 PRO 116 -17.443 -15.032 4.360 741 H GLU 117 HN GLU 117 -17.633 -20.159 5.911 742 HA GLU 117 HA GLU 117 -17.928 -21.674 3.432 743 HB2 GLU 117 HB2 GLU 117 -16.701 -22.524 5.546 744 HB3 GLU 117 HB3 GLU 117 -18.308 -22.762 6.213 745 HG2 GLU 117 HG2 GLU 117 -18.844 -24.395 4.611 746 HG3 GLU 117 HG3 GLU 117 -17.468 -23.962 3.597 747 H THR 118 HN THR 118 -19.938 -23.248 3.607 748 HA THR 118 HA THR 118 -22.259 -21.677 4.519 749 HB THR 118 HB THR 118 -22.150 -23.552 2.144 750 HG1 THR 118 HG1 THR 118 -21.155 -21.192 2.232 751 HG21 THR 118 HG23 THR 118 -24.370 -23.427 3.198 752 HG22 THR 118 HG21 THR 118 -24.374 -22.646 1.615 753 HG23 THR 118 HG22 THR 118 -24.326 -21.668 3.081 754 H LEU 119 HN LEU 119 -23.888 -22.853 5.607 755 HA LEU 119 HA LEU 119 -23.140 -25.624 6.271 756 HG LEU 119 HG LEU 119 -21.976 -23.252 7.794 757 HB2 LEU 119 HB2 LEU 119 -24.457 -23.595 8.086 758 HB3 LEU 119 HB3 LEU 119 -24.112 -25.265 8.503 759 HD11 LEU 119 HD11 LEU 119 -23.138 -22.546 9.817 760 HD12 LEU 119 HD12 LEU 119 -22.922 -24.152 10.512 761 HD13 LEU 119 HD13 LEU 119 -21.519 -23.135 10.193 762 HD21 LEU 119 HD23 LEU 119 -21.822 -25.957 9.124 763 HD22 LEU 119 HD21 LEU 119 -21.393 -25.614 7.448 764 HD23 LEU 119 HD22 LEU 119 -20.466 -24.888 8.762 765 H ILE 120 HN ILE 120 -25.119 -26.807 7.315 766 HA ILE 120 HA ILE 120 -27.268 -26.601 5.350 767 HB ILE 120 HB ILE 120 -26.921 -28.692 7.499 768 HG12 ILE 120 HG12 ILE 120 -26.033 -28.800 4.607 769 HG13 ILE 120 HG13 ILE 120 -24.954 -28.555 5.978 770 HG21 ILE 120 HG21 ILE 120 -29.171 -28.493 6.531 771 HG22 ILE 120 HG22 ILE 120 -28.493 -28.723 4.922 772 HG23 ILE 120 HG23 ILE 120 -28.406 -30.026 6.110 773 HD11 ILE 120 HD13 ILE 120 -26.631 -30.995 5.447 774 HD12 ILE 120 HD11 ILE 120 -24.884 -30.856 5.246 775 HD13 ILE 120 HD12 ILE 120 -25.599 -30.751 6.855 776 H THR 121 HN THR 121 -29.252 -25.846 5.788 777 HA THR 121 HA THR 121 -29.891 -25.195 8.563 778 HB THR 121 HB THR 121 -30.233 -23.309 7.168 779 HG1 THR 121 HG1 THR 121 -32.771 -24.512 7.629 780 HG21 THR 121 HG23 THR 121 -31.871 -25.068 5.341 781 HG22 THR 121 HG21 THR 121 -30.305 -24.331 4.992 782 HG23 THR 121 HG22 THR 121 -31.728 -23.316 5.201 783 H THR 122 HN THR 122 -29.990 -27.577 8.831 784 HA THR 122 HA THR 122 -31.244 -29.351 9.495 785 HB THR 122 HB THR 122 -33.684 -27.890 8.465 786 HG1 THR 122 HG1 THR 122 -33.182 -27.800 11.166 787 HG21 THR 122 HG23 THR 122 -33.414 -29.941 10.665 788 HG22 THR 122 HG21 THR 122 -33.989 -30.287 9.034 789 HG23 THR 122 HG22 THR 122 -34.905 -29.204 10.079 790 H ILE 123 HN ILE 123 -33.222 -28.376 6.690 791 HA ILE 123 HA ILE 123 -32.288 -30.786 5.286 792 HB ILE 123 HB ILE 123 -35.207 -30.007 5.362 793 HG12 ILE 123 HG12 ILE 123 -33.862 -32.289 6.826 794 HG13 ILE 123 HG13 ILE 123 -34.474 -30.822 7.586 795 HG21 ILE 123 HG21 ILE 123 -35.541 -32.192 4.308 796 HG22 ILE 123 HG22 ILE 123 -34.477 -31.167 3.347 797 HG23 ILE 123 HG23 ILE 123 -33.800 -32.468 4.326 798 HD11 ILE 123 HD13 ILE 123 -36.730 -31.388 6.818 799 HD12 ILE 123 HD11 ILE 123 -36.099 -32.878 6.117 800 HD13 ILE 123 HD12 ILE 123 -36.042 -32.632 7.863 801 H ASP 124 HN ASP 124 -34.889 -28.504 4.545 802 HA ASP 124 HA ASP 124 -33.231 -27.408 2.374 803 HB2 ASP 124 HB2 ASP 124 -36.234 -27.777 2.506 804 HB3 ASP 124 HB3 ASP 124 -35.444 -26.760 1.306 805 H SER 125 HN SER 125 -35.267 -25.293 1.971 806 HA SER 125 HA SER 125 -34.306 -23.541 4.057 807 HG SER 125 HG SER 125 -36.622 -22.222 1.047 808 HB2 SER 125 HB2 SER 125 -35.381 -21.763 2.689 809 HB3 SER 125 HB3 SER 125 -34.242 -22.741 1.769 810 H SER 126 HN SER 126 -36.378 -21.751 4.372 811 HA SER 126 HA SER 126 -38.408 -23.415 5.712 812 HG SER 126 HG SER 126 -36.412 -22.831 6.917 813 HB2 SER 126 HB2 SER 126 -37.690 -20.528 6.290 814 HB3 SER 126 HB3 SER 126 -38.700 -21.590 7.273 815 H SER 127 HN SER 127 -39.814 -20.584 5.939 816 HA SER 127 HA SER 127 -41.567 -20.690 3.751 817 HG SER 127 HG SER 127 -42.347 -18.957 6.888 818 HB2 SER 127 HB2 SER 127 -40.901 -18.158 5.253 819 HB3 SER 127 HB3 SER 127 -42.463 -18.679 4.617 820 H SER 128 HN SER 128 -38.458 -19.275 4.221 821 HA SER 128 HA SER 128 -38.438 -18.370 1.427 822 HG SER 128 HG SER 128 -36.129 -15.839 2.050 823 HB2 SER 128 HB2 SER 128 -37.907 -16.607 3.151 824 HB3 SER 128 HB3 SER 128 -36.516 -17.574 3.640 825 HHA HEM 129 HHA HEM 129 -6.489 17.389 -6.075 826 HHB HEM 129 HHB HEM 129 -2.026 12.750 -5.823 827 HHC HEM 129 HHC HEM 129 -5.058 10.130 -0.822 828 HHD HEM 129 HHD HEM 129 -9.474 14.843 -0.970 829 HAB HEM 129 HAB HEM 129 -1.840 9.429 -1.104 830 HAC HEM 129 HAC HEM 129 -10.378 12.890 0.385 831 HMA1 HEM 129 HMA1 HEM 129 -2.183 15.553 -8.520 832 HMA2 HEM 129 HMA2 HEM 129 -1.239 15.153 -7.085 833 HMA3 HEM 129 HMA3 HEM 129 -1.986 13.869 -8.047 834 HAA1 HEM 129 HAA1 HEM 129 -3.947 17.517 -8.296 835 HAA2 HEM 129 HAA2 HEM 129 -4.213 16.123 -8.775 836 HBA1 HEM 129 HBA1 HEM 129 -6.326 17.653 -9.154 837 HBA2 HEM 129 HBA2 HEM 129 -6.736 16.096 -8.402 838 HMB1 HEM 129 HMB1 HEM 129 -0.129 11.287 -3.659 839 HMB2 HEM 129 HMB2 HEM 129 -0.906 10.156 -4.947 840 HMB3 HEM 129 HMB3 HEM 129 -0.904 10.033 -3.427 841 HBB1 HEM 129 HBB1 HEM 129 -4.057 8.045 -2.672 842 HBB2 HEM 129 HBB2 HEM 129 -2.864 7.302 -1.436 843 HMC1 HEM 129 HMC1 HEM 129 -6.651 10.646 1.774 844 HMC2 HEM 129 HMC2 HEM 129 -8.177 10.038 1.122 845 HMC3 HEM 129 HMC3 HEM 129 -6.599 9.569 0.395 846 HBC1 HEM 129 HBC1 HEM 129 -10.294 12.484 2.711 847 HBC2 HEM 129 HBC2 HEM 129 -8.465 12.208 2.664 848 HMD1 HEM 129 HMD1 HEM 129 -10.588 16.563 -1.427 849 HMD2 HEM 129 HMD2 HEM 129 -10.930 17.776 -2.816 850 HMD3 HEM 129 HMD3 HEM 129 -9.722 17.715 -1.910 851 HAD1 HEM 129 HAD1 HEM 129 -9.500 18.960 -4.635 852 HAD2 HEM 129 HAD2 HEM 129 -8.083 18.662 -4.974 853 HBD1 HEM 129 HBD1 HEM 129 -7.808 17.703 -6.864 854 HBD2 HEM 129 HBD2 HEM 129 -8.640 19.272 -6.923 Start of MODEL 6 1 HA MET 21 HA MET 21 15.939 0.823 -2.717 2 H1 MET 21 1H MET 21 13.994 2.481 -4.056 3 HB2 MET 21 HB2 MET 21 14.310 1.558 -0.890 4 HB3 MET 21 HB3 MET 21 13.076 0.649 -1.755 5 HG2 MET 21 HG2 MET 21 14.364 -1.390 -1.469 6 HG3 MET 21 HG3 MET 21 15.626 -0.477 -0.646 7 HE1 MET 21 HE3 MET 21 11.935 -1.771 -0.477 8 HE2 MET 21 HE1 MET 21 11.367 -1.086 1.044 9 HE3 MET 21 HE2 MET 21 11.709 -0.030 -0.327 10 H ALA 22 HN ALA 22 13.035 -0.833 -2.737 11 HA ALA 22 HA ALA 22 12.786 -1.244 -5.570 12 HB1 ALA 22 HB3 ALA 22 13.791 -3.540 -3.884 13 HB2 ALA 22 HB1 ALA 22 13.390 -3.589 -5.598 14 HB3 ALA 22 HB2 ALA 22 14.769 -2.633 -5.041 15 H GLU 23 HN GLU 23 10.929 -2.533 -6.079 16 HA GLU 23 HA GLU 23 8.877 -2.514 -4.122 17 HB2 GLU 23 HB2 GLU 23 7.583 -3.836 -5.855 18 HB3 GLU 23 HB3 GLU 23 8.158 -2.261 -6.362 19 HG2 GLU 23 HG2 GLU 23 9.590 -4.829 -7.038 20 HG3 GLU 23 HG3 GLU 23 8.339 -4.125 -8.053 21 H GLN 24 HN GLN 24 10.039 -5.319 -5.931 22 HA GLN 24 HA GLN 24 11.153 -6.901 -4.038 23 HB2 GLN 24 HB2 GLN 24 8.190 -6.961 -3.841 24 HB3 GLN 24 HB3 GLN 24 8.963 -8.536 -3.954 25 HG2 GLN 24 HG2 GLN 24 9.514 -6.425 -1.874 26 HG3 GLN 24 HG3 GLN 24 8.579 -7.902 -1.640 27 HE21 GLN 24 HE21 GLN 24 11.759 -6.545 -2.056 28 HE22 GLN 24 HE22 GLN 24 12.647 -7.941 -1.562 29 H SER 25 HN SER 25 8.360 -7.764 -5.949 30 HA SER 25 HA SER 25 9.949 -8.316 -8.312 31 HG SER 25 HG SER 25 10.858 -10.909 -7.511 32 HB2 SER 25 HB2 SER 25 8.152 -10.452 -7.090 33 HB3 SER 25 HB3 SER 25 9.061 -10.586 -8.599 34 H ASP 26 HN ASP 26 8.324 -8.840 -10.188 35 HA ASP 26 HA ASP 26 6.409 -6.807 -10.351 36 HB2 ASP 26 HB2 ASP 26 7.408 -7.986 -12.297 37 HB3 ASP 26 HB3 ASP 26 6.475 -9.424 -11.894 38 H GLU 27 HN GLU 27 6.148 -10.143 -9.386 39 HA GLU 27 HA GLU 27 3.286 -10.227 -9.496 40 HB2 GLU 27 HB2 GLU 27 4.692 -12.094 -10.280 41 HB3 GLU 27 HB3 GLU 27 5.322 -12.286 -8.651 42 HG2 GLU 27 HG2 GLU 27 3.154 -12.949 -7.848 43 HG3 GLU 27 HG3 GLU 27 2.444 -12.634 -9.430 44 H ALA 28 HN ALA 28 5.688 -9.687 -7.052 45 HA ALA 28 HA ALA 28 3.872 -10.686 -4.975 46 HB1 ALA 28 HB3 ALA 28 5.824 -10.828 -3.516 47 HB2 ALA 28 HB1 ALA 28 6.067 -11.742 -5.013 48 HB3 ALA 28 HB2 ALA 28 6.828 -10.163 -4.805 49 H VAL 29 HN VAL 29 2.717 -9.275 -3.960 50 HA VAL 29 HA VAL 29 3.675 -6.522 -3.557 51 HB VAL 29 HB VAL 29 0.915 -7.639 -2.984 52 HG11 VAL 29 HG11 VAL 29 1.890 -4.799 -3.214 53 HG12 VAL 29 HG12 VAL 29 0.232 -5.309 -2.878 54 HG13 VAL 29 HG13 VAL 29 1.514 -5.633 -1.704 55 HG21 VAL 29 HG23 VAL 29 1.337 -7.821 -5.346 56 HG22 VAL 29 HG21 VAL 29 0.241 -6.465 -5.064 57 HG23 VAL 29 HG22 VAL 29 1.940 -6.169 -5.398 58 H LYS 30 HN LYS 30 4.314 -5.818 -1.588 59 HA LYS 30 HA LYS 30 4.524 -7.665 0.598 60 HB2 LYS 30 HB2 LYS 30 4.886 -4.663 0.554 61 HB3 LYS 30 HB3 LYS 30 5.279 -5.704 1.911 62 HG2 LYS 30 HG2 LYS 30 6.872 -6.898 0.348 63 HG3 LYS 30 HG3 LYS 30 6.609 -5.550 -0.767 64 HD2 LYS 30 HD2 LYS 30 7.605 -5.311 2.079 65 HD3 LYS 30 HD3 LYS 30 8.598 -5.222 0.630 66 HE2 LYS 30 HE2 LYS 30 7.592 -3.206 -0.081 67 HE3 LYS 30 HE3 LYS 30 6.308 -3.346 1.118 68 HZ1 LYS 30 HZ3 LYS 30 9.101 -3.192 2.035 69 HZ2 LYS 30 HZ1 LYS 30 7.685 -2.687 2.814 70 HZ3 LYS 30 HZ2 LYS 30 8.317 -1.766 1.540 71 H TYR 31 HN TYR 31 3.324 -7.699 2.539 72 HA TYR 31 HA TYR 31 0.800 -6.222 2.398 73 HD1 TYR 31 HD2 TYR 31 -0.241 -7.643 1.043 74 HD2 TYR 31 HD1 TYR 31 1.240 -10.716 3.568 75 HE1 TYR 31 HE2 TYR 31 -0.731 -9.297 -0.690 76 HE2 TYR 31 HE1 TYR 31 0.751 -12.384 1.842 77 HH TYR 31 HH TYR 31 0.029 -11.576 -1.342 78 HB2 TYR 31 HB2 TYR 31 1.507 -8.531 4.222 79 HB3 TYR 31 HB3 TYR 31 -0.077 -7.813 4.007 80 H TYR 32 HN TYR 32 -0.001 -5.300 4.387 81 HA TYR 32 HA TYR 32 2.016 -4.989 6.491 82 HD1 TYR 32 HD2 TYR 32 1.436 -3.038 3.252 83 HD2 TYR 32 HD1 TYR 32 3.378 -2.077 6.908 84 HE1 TYR 32 HE2 TYR 32 3.358 -2.185 1.997 85 HE2 TYR 32 HE1 TYR 32 5.304 -1.240 5.649 86 HH TYR 32 HH TYR 32 5.229 -0.723 2.240 87 HB2 TYR 32 HB2 TYR 32 0.173 -2.837 5.421 88 HB3 TYR 32 HB3 TYR 32 1.080 -2.702 6.928 89 H THR 33 HN THR 33 1.094 -4.725 8.638 90 HA THR 33 HA THR 33 -1.323 -6.303 8.863 91 HB THR 33 HB THR 33 -0.939 -6.196 11.308 92 HG1 THR 33 HG1 THR 33 1.288 -4.592 10.504 93 HG21 THR 33 HG23 THR 33 1.511 -7.018 9.779 94 HG22 THR 33 HG21 THR 33 0.018 -7.960 9.858 95 HG23 THR 33 HG22 THR 33 0.955 -7.642 11.326 96 H LEU 34 HN LEU 34 -3.308 -5.596 9.495 97 HA LEU 34 HA LEU 34 -3.967 -2.988 8.756 98 HG LEU 34 HG LEU 34 -6.486 -2.504 10.179 99 HB2 LEU 34 HB2 LEU 34 -5.499 -4.933 8.699 100 HB3 LEU 34 HB3 LEU 34 -5.589 -4.894 10.440 101 HD11 LEU 34 HD11 LEU 34 -7.508 -1.953 8.038 102 HD12 LEU 34 HD12 LEU 34 -5.764 -2.202 7.857 103 HD13 LEU 34 HD13 LEU 34 -6.895 -3.460 7.355 104 HD21 LEU 34 HD23 LEU 34 -7.898 -4.377 10.816 105 HD22 LEU 34 HD21 LEU 34 -8.763 -3.249 9.766 106 HD23 LEU 34 HD22 LEU 34 -8.142 -4.768 9.115 107 H GLU 35 HN GLU 35 -3.269 -4.509 11.759 108 HA GLU 35 HA GLU 35 -4.303 -2.586 13.552 109 HB2 GLU 35 HB2 GLU 35 -2.896 -3.781 15.239 110 HB3 GLU 35 HB3 GLU 35 -3.932 -4.849 14.303 111 HG2 GLU 35 HG2 GLU 35 -1.186 -4.425 13.307 112 HG3 GLU 35 HG3 GLU 35 -1.367 -5.363 14.782 113 H GLU 36 HN GLU 36 -1.378 -2.768 11.713 114 HA GLU 36 HA GLU 36 0.027 -0.902 13.439 115 HB2 GLU 36 HB2 GLU 36 1.960 -1.381 12.185 116 HB3 GLU 36 HB3 GLU 36 1.106 -2.906 12.255 117 HG2 GLU 36 HG2 GLU 36 0.308 -2.613 9.965 118 HG3 GLU 36 HG3 GLU 36 1.073 -1.019 9.899 119 H ILE 37 HN ILE 37 -1.625 -1.053 10.420 120 HA ILE 37 HA ILE 37 -0.836 1.476 9.388 121 HB ILE 37 HB ILE 37 -3.306 -0.151 8.763 122 HG12 ILE 37 HG12 ILE 37 -0.640 -0.076 7.325 123 HG13 ILE 37 HG13 ILE 37 -1.124 -1.346 8.442 124 HG21 ILE 37 HG21 ILE 37 -3.459 2.194 8.040 125 HG22 ILE 37 HG22 ILE 37 -1.946 2.008 7.157 126 HG23 ILE 37 HG23 ILE 37 -3.370 1.092 6.666 127 HD11 ILE 37 HD13 ILE 37 -2.531 -0.655 5.874 128 HD12 ILE 37 HD11 ILE 37 -1.447 -2.019 6.132 129 HD13 ILE 37 HD12 ILE 37 -2.974 -1.934 6.997 130 H GLN 38 HN GLN 38 -3.369 0.344 11.468 131 HA GLN 38 HA GLN 38 -4.968 2.624 11.632 132 HB2 GLN 38 HB2 GLN 38 -4.330 0.418 13.586 133 HB3 GLN 38 HB3 GLN 38 -5.428 1.717 14.005 134 HG2 GLN 38 HG2 GLN 38 -5.786 -0.053 11.610 135 HG3 GLN 38 HG3 GLN 38 -6.511 -0.379 13.176 136 HE21 GLN 38 HE21 GLN 38 -6.138 2.822 11.727 137 HE22 GLN 38 HE22 GLN 38 -7.829 3.111 11.545 138 H LYS 39 HN LYS 39 -1.953 1.804 13.161 139 HA LYS 39 HA LYS 39 -2.057 4.049 14.994 140 HB2 LYS 39 HB2 LYS 39 -1.166 1.567 15.354 141 HB3 LYS 39 HB3 LYS 39 0.312 2.257 14.701 142 HG2 LYS 39 HG2 LYS 39 0.534 3.772 16.478 143 HG3 LYS 39 HG3 LYS 39 -1.127 3.511 17.018 144 HD2 LYS 39 HD2 LYS 39 0.362 2.384 18.522 145 HD3 LYS 39 HD3 LYS 39 -0.527 1.190 17.588 146 HE2 LYS 39 HE2 LYS 39 1.416 0.904 16.111 147 HE3 LYS 39 HE3 LYS 39 2.307 2.081 17.082 148 HZ1 LYS 39 HZ3 LYS 39 1.994 0.595 19.005 149 HZ2 LYS 39 HZ1 LYS 39 2.892 -0.111 17.754 150 HZ3 LYS 39 HZ2 LYS 39 1.272 -0.559 17.993 151 H HIS 40 HN HIS 40 -1.508 3.899 11.888 152 HA HIS 40 HA HIS 40 0.772 5.753 11.909 153 HD1 HIS 40 HD1 HIS 40 1.713 1.727 9.872 154 HD2 HIS 40 HD2 HIS 40 2.908 4.861 12.323 155 HE1 HIS 40 HE1 HIS 40 3.773 0.898 11.059 156 HE2 HIS 40 HE2 HIS 40 4.573 2.883 12.410 157 HB2 HIS 40 HB2 HIS 40 0.050 3.605 9.912 158 HB3 HIS 40 HB3 HIS 40 1.132 4.932 9.508 159 H ASN 41 HN ASN 41 -1.709 6.693 12.371 160 HA ASN 41 HA ASN 41 -2.896 7.514 9.792 161 HB2 ASN 41 HB2 ASN 41 -4.979 7.762 11.016 162 HB3 ASN 41 HB3 ASN 41 -4.318 6.163 11.335 163 HD21 ASN 41 HD21 ASN 41 -6.142 7.987 12.873 164 HD22 ASN 41 HD22 ASN 41 -5.444 8.075 14.456 165 H HIS 42 HN HIS 42 -0.660 8.861 11.445 166 HA HIS 42 HA HIS 42 -1.950 11.426 11.971 167 HD1 HIS 42 HD1 HIS 42 1.425 9.845 13.322 168 HD2 HIS 42 HD2 HIS 42 -1.589 8.301 15.735 169 HE1 HIS 42 HE1 HIS 42 2.453 7.886 14.543 170 HE2 HIS 42 HE2 HIS 42 0.653 7.077 16.106 171 HB2 HIS 42 HB2 HIS 42 -0.964 11.488 14.293 172 HB3 HIS 42 HB3 HIS 42 -2.269 10.331 14.067 173 H SER 43 HN SER 43 0.169 12.414 13.573 174 HA SER 43 HA SER 43 1.718 13.737 11.741 175 HG SER 43 HG SER 43 2.756 13.311 15.657 176 HB2 SER 43 HB2 SER 43 3.241 14.190 13.709 177 HB3 SER 43 HB3 SER 43 1.540 14.559 13.968 178 H LYS 44 HN LYS 44 2.929 11.135 13.838 179 HA LYS 44 HA LYS 44 5.484 11.075 12.637 180 HB2 LYS 44 HB2 LYS 44 4.084 9.409 14.676 181 HB3 LYS 44 HB3 LYS 44 5.632 8.869 14.033 182 HG2 LYS 44 HG2 LYS 44 5.037 11.403 15.536 183 HG3 LYS 44 HG3 LYS 44 6.052 10.052 16.045 184 HD2 LYS 44 HD2 LYS 44 6.606 11.962 13.775 185 HD3 LYS 44 HD3 LYS 44 7.453 11.896 15.321 186 HE2 LYS 44 HE2 LYS 44 8.270 9.644 14.771 187 HE3 LYS 44 HE3 LYS 44 7.410 9.714 13.227 188 HZ1 LYS 44 HZ3 LYS 44 9.817 10.249 13.095 189 HZ2 LYS 44 HZ1 LYS 44 9.533 11.624 14.042 190 HZ3 LYS 44 HZ2 LYS 44 8.814 11.487 12.516 191 H SER 45 HN SER 45 2.807 10.009 11.201 192 HA SER 45 HA SER 45 4.012 8.719 9.131 193 HG SER 45 HG SER 45 3.769 6.579 8.379 194 HB2 SER 45 HB2 SER 45 4.541 6.867 10.713 195 HB3 SER 45 HB3 SER 45 2.813 6.671 11.027 196 H THR 46 HN THR 46 2.534 8.865 7.497 197 HA THR 46 HA THR 46 -0.293 8.928 8.291 198 HB THR 46 HB THR 46 0.870 10.595 6.053 199 HG1 THR 46 HG1 THR 46 0.671 11.083 8.811 200 HG21 THR 46 HG23 THR 46 -1.505 10.176 5.863 201 HG22 THR 46 HG21 THR 46 -1.243 11.855 6.336 202 HG23 THR 46 HG22 THR 46 -1.756 10.666 7.533 203 H TRP 47 HN TRP 47 -0.591 6.753 7.694 204 HA TRP 47 HA TRP 47 -0.245 6.140 4.847 205 HD1 TRP 47 HD1 TRP 47 1.915 6.213 5.751 206 HE1 TRP 47 HE1 TRP 47 4.190 5.099 6.174 207 HE3 TRP 47 HE3 TRP 47 0.299 1.584 7.149 208 HZ2 TRP 47 HZ2 TRP 47 5.163 2.607 6.992 209 HZ3 TRP 47 HZ3 TRP 47 1.971 -0.117 7.739 210 HH2 TRP 47 HH2 TRP 47 4.359 0.387 7.660 211 HB2 TRP 47 HB2 TRP 47 -0.791 4.304 7.198 212 HB3 TRP 47 HB3 TRP 47 -0.739 3.778 5.524 213 H LEU 48 HN LEU 48 -2.022 5.176 3.710 214 HA LEU 48 HA LEU 48 -4.572 5.124 5.054 215 HG LEU 48 HG LEU 48 -4.580 6.230 1.410 216 HB2 LEU 48 HB2 LEU 48 -5.769 6.562 3.574 217 HB3 LEU 48 HB3 LEU 48 -4.401 7.454 4.186 218 HD11 LEU 48 HD11 LEU 48 -4.834 9.084 2.356 219 HD12 LEU 48 HD12 LEU 48 -4.698 8.586 0.670 220 HD13 LEU 48 HD13 LEU 48 -6.096 8.095 1.629 221 HD21 LEU 48 HD23 LEU 48 -2.509 8.058 2.641 222 HD22 LEU 48 HD21 LEU 48 -2.281 6.346 2.277 223 HD23 LEU 48 HD22 LEU 48 -2.541 7.497 0.966 224 H ILE 49 HN ILE 49 -6.280 4.081 3.717 225 HA ILE 49 HA ILE 49 -5.000 2.150 1.901 226 HB ILE 49 HB ILE 49 -7.419 1.716 3.668 227 HG12 ILE 49 HG12 ILE 49 -4.604 0.603 3.823 228 HG13 ILE 49 HG13 ILE 49 -5.253 1.871 4.859 229 HG21 ILE 49 HG21 ILE 49 -5.967 -0.206 1.849 230 HG22 ILE 49 HG22 ILE 49 -7.309 -0.611 2.922 231 HG23 ILE 49 HG23 ILE 49 -7.565 0.483 1.561 232 HD11 ILE 49 HD13 ILE 49 -5.226 -0.260 6.001 233 HD12 ILE 49 HD11 ILE 49 -6.885 0.298 5.773 234 HD13 ILE 49 HD12 ILE 49 -6.228 -0.979 4.741 235 H LEU 50 HN LEU 50 -5.845 1.832 -0.069 236 HA LEU 50 HA LEU 50 -8.305 3.286 -0.744 237 HG LEU 50 HG LEU 50 -5.982 5.746 -2.340 238 HB2 LEU 50 HB2 LEU 50 -5.638 3.293 -2.148 239 HB3 LEU 50 HB3 LEU 50 -7.109 3.727 -2.982 240 HD11 LEU 50 HD11 LEU 50 -7.661 6.825 -0.919 241 HD12 LEU 50 HD12 LEU 50 -8.379 5.840 -2.198 242 HD13 LEU 50 HD13 LEU 50 -8.334 5.234 -0.542 243 HD21 LEU 50 HD23 LEU 50 -4.586 4.896 -0.565 244 HD22 LEU 50 HD21 LEU 50 -5.503 6.300 -0.024 245 HD23 LEU 50 HD22 LEU 50 -6.000 4.686 0.464 246 H HIS 51 HN HIS 51 -9.418 1.292 -0.602 247 HA HIS 51 HA HIS 51 -10.549 -0.392 -1.613 248 HD1 HIS 51 HD1 HIS 51 -11.586 -0.844 -5.351 249 HD2 HIS 51 HD2 HIS 51 -10.410 2.562 -3.263 250 HE1 HIS 51 HE1 HIS 51 -13.240 0.965 -6.016 251 HE2 HIS 51 HE2 HIS 51 -12.601 2.973 -4.597 252 HB2 HIS 51 HB2 HIS 51 -8.590 0.120 -3.849 253 HB3 HIS 51 HB3 HIS 51 -9.653 -1.282 -3.878 254 H HIS 52 HN HIS 52 -7.029 -0.785 -1.999 255 HA HIS 52 HA HIS 52 -7.123 -3.230 -0.370 256 HD1 HIS 52 HD1 HIS 52 -5.958 -6.343 -2.953 257 HD2 HIS 52 HD2 HIS 52 -9.328 -4.017 -2.219 258 HE1 HIS 52 HE1 HIS 52 -7.917 -7.883 -3.278 259 HE2 HIS 52 HE2 HIS 52 -9.931 -6.501 -2.630 260 HB2 HIS 52 HB2 HIS 52 -6.358 -3.057 -3.248 261 HB3 HIS 52 HB3 HIS 52 -5.377 -4.062 -2.218 262 H LYS 53 HN LYS 53 -5.291 -0.775 -2.096 263 HA LYS 53 HA LYS 53 -2.799 -1.684 -0.963 264 HB2 LYS 53 HB2 LYS 53 -3.396 0.519 -2.948 265 HB3 LYS 53 HB3 LYS 53 -1.786 0.152 -2.351 266 HG2 LYS 53 HG2 LYS 53 -1.869 -0.926 -4.388 267 HG3 LYS 53 HG3 LYS 53 -2.195 -2.209 -3.231 268 HD2 LYS 53 HD2 LYS 53 -3.877 -2.678 -4.672 269 HD3 LYS 53 HD3 LYS 53 -4.709 -1.426 -3.756 270 HE2 LYS 53 HE2 LYS 53 -3.137 -0.915 -6.260 271 HE3 LYS 53 HE3 LYS 53 -4.868 -1.205 -6.249 272 HZ1 LYS 53 HZ3 LYS 53 -4.525 1.124 -6.313 273 HZ2 LYS 53 HZ1 LYS 53 -3.427 1.069 -5.025 274 HZ3 LYS 53 HZ2 LYS 53 -5.063 0.760 -4.746 275 H VAL 54 HN VAL 54 -1.582 -0.670 0.521 276 HA VAL 54 HA VAL 54 -2.771 1.604 1.940 277 HB VAL 54 HB VAL 54 -1.964 -0.303 3.263 278 HG11 VAL 54 HG11 VAL 54 0.489 -0.698 3.462 279 HG12 VAL 54 HG12 VAL 54 -0.194 -1.147 1.898 280 HG13 VAL 54 HG13 VAL 54 0.717 0.355 2.063 281 HG21 VAL 54 HG23 VAL 54 -0.343 2.212 3.642 282 HG22 VAL 54 HG21 VAL 54 -1.950 1.885 4.291 283 HG23 VAL 54 HG22 VAL 54 -0.561 0.956 4.866 284 H TYR 55 HN TYR 55 -1.746 3.628 2.002 285 HA TYR 55 HA TYR 55 0.619 3.919 0.242 286 HD1 TYR 55 HD2 TYR 55 -2.802 3.457 -0.106 287 HD2 TYR 55 HD1 TYR 55 -0.665 6.052 -2.692 288 HE1 TYR 55 HE2 TYR 55 -4.023 2.521 -2.004 289 HE2 TYR 55 HE1 TYR 55 -1.884 5.139 -4.601 290 HH TYR 55 HH TYR 55 -4.643 3.578 -4.464 291 HB2 TYR 55 HB2 TYR 55 -1.626 5.938 0.524 292 HB3 TYR 55 HB3 TYR 55 -0.186 6.123 -0.460 293 H ASP 56 HN ASP 56 1.823 5.987 0.709 294 HA ASP 56 HA ASP 56 1.387 6.977 3.457 295 HB2 ASP 56 HB2 ASP 56 3.359 5.545 3.561 296 HB3 ASP 56 HB3 ASP 56 4.082 6.378 2.183 297 H LEU 57 HN LEU 57 1.660 9.254 3.716 298 HA LEU 57 HA LEU 57 2.296 10.664 1.197 299 HG LEU 57 HG LEU 57 -1.177 11.936 1.844 300 HB2 LEU 57 HB2 LEU 57 0.750 11.852 3.496 301 HB3 LEU 57 HB3 LEU 57 1.059 12.596 1.948 302 HD11 LEU 57 HD11 LEU 57 -1.267 10.171 0.175 303 HD12 LEU 57 HD12 LEU 57 0.013 11.327 -0.163 304 HD13 LEU 57 HD13 LEU 57 0.405 9.750 0.519 305 HD21 LEU 57 HD23 LEU 57 -1.986 9.690 2.462 306 HD22 LEU 57 HD21 LEU 57 -0.360 9.285 3.021 307 HD23 LEU 57 HD22 LEU 57 -1.272 10.570 3.812 308 H THR 58 HN THR 58 2.510 11.066 4.687 309 HA THR 58 HA THR 58 3.825 12.282 6.052 310 HB THR 58 HB THR 58 6.322 11.930 5.668 311 HG1 THR 58 HG1 THR 58 5.514 9.931 3.833 312 HG21 THR 58 HG23 THR 58 4.536 9.510 5.853 313 HG22 THR 58 HG21 THR 58 4.946 10.588 7.186 314 HG23 THR 58 HG22 THR 58 6.202 9.623 6.413 315 H LYS 59 HN LYS 59 5.741 12.745 3.135 316 HA LYS 59 HA LYS 59 6.250 15.501 3.770 317 HB2 LYS 59 HB2 LYS 59 6.860 13.962 1.229 318 HB3 LYS 59 HB3 LYS 59 7.607 15.473 1.747 319 HG2 LYS 59 HG2 LYS 59 8.711 14.408 3.547 320 HG3 LYS 59 HG3 LYS 59 7.780 12.928 3.325 321 HD2 LYS 59 HD2 LYS 59 8.845 12.647 1.116 322 HD3 LYS 59 HD3 LYS 59 9.829 14.077 1.435 323 HE2 LYS 59 HE2 LYS 59 11.040 11.984 1.912 324 HE3 LYS 59 HE3 LYS 59 10.850 13.012 3.338 325 HZ1 LYS 59 HZ3 LYS 59 10.417 10.555 3.644 326 HZ2 LYS 59 HZ1 LYS 59 8.995 10.772 2.750 327 HZ3 LYS 59 HZ2 LYS 59 9.209 11.595 4.218 328 H PHE 60 HN PHE 60 4.167 13.687 1.668 329 HA PHE 60 HA PHE 60 3.621 15.651 -0.263 330 HD1 PHE 60 HD1 PHE 60 3.511 15.069 -2.390 331 HD2 PHE 60 HD2 PHE 60 -0.053 13.258 -0.920 332 HE1 PHE 60 HE1 PHE 60 2.406 15.510 -4.547 333 HE2 PHE 60 HE2 PHE 60 -1.169 13.696 -3.062 334 HZ PHE 60 HZ PHE 60 0.058 14.992 -4.845 335 HB2 PHE 60 HB2 PHE 60 3.261 13.118 -0.399 336 HB3 PHE 60 HB3 PHE 60 1.751 13.402 0.462 337 H LEU 61 HN LEU 61 2.572 15.337 2.884 338 HA LEU 61 HA LEU 61 -0.131 16.006 2.928 339 HG LEU 61 HG LEU 61 1.797 14.111 4.493 340 HB2 LEU 61 HB2 LEU 61 2.013 16.518 4.982 341 HB3 LEU 61 HB3 LEU 61 0.292 16.609 5.295 342 HD11 LEU 61 HD11 LEU 61 1.352 13.392 6.790 343 HD12 LEU 61 HD12 LEU 61 2.352 14.851 6.733 344 HD13 LEU 61 HD13 LEU 61 0.639 14.965 7.139 345 HD21 LEU 61 HD23 LEU 61 -0.292 12.956 4.994 346 HD22 LEU 61 HD21 LEU 61 -1.074 14.496 5.327 347 HD23 LEU 61 HD22 LEU 61 -0.530 14.121 3.694 348 H GLU 62 HN GLU 62 2.611 18.015 2.437 349 HA GLU 62 HA GLU 62 1.050 20.446 3.031 350 HB2 GLU 62 HB2 GLU 62 3.299 21.538 3.247 351 HB3 GLU 62 HB3 GLU 62 2.982 20.283 4.442 352 HG2 GLU 62 HG2 GLU 62 4.303 18.710 3.020 353 HG3 GLU 62 HG3 GLU 62 4.708 20.077 1.980 354 H GLU 63 HN GLU 63 1.791 18.577 0.532 355 HA GLU 63 HA GLU 63 2.417 20.776 -1.339 356 HB2 GLU 63 HB2 GLU 63 2.937 17.817 -1.669 357 HB3 GLU 63 HB3 GLU 63 3.369 19.081 -2.808 358 HG2 GLU 63 HG2 GLU 63 4.927 20.034 -1.205 359 HG3 GLU 63 HG3 GLU 63 4.472 18.816 -0.013 360 H HIS 64 HN HIS 64 0.278 18.261 -0.461 361 HA HIS 64 HA HIS 64 -1.023 17.947 -2.936 362 HD1 HIS 64 HD1 HIS 64 -4.312 16.932 -0.011 363 HD2 HIS 64 HD2 HIS 64 -2.648 15.131 -3.425 364 HE1 HIS 64 HE1 HIS 64 -6.177 15.589 -1.114 365 HB2 HIS 64 HB3 HIS 64 -0.968 16.185 -1.272 366 HB3 HIS 64 HB2 HIS 64 -1.801 17.182 -0.126 367 HA PRO 65 HA PRO 65 -3.276 21.642 -3.681 368 HB2 PRO 65 HB2 PRO 65 -5.622 19.771 -3.625 369 HB3 PRO 65 HB3 PRO 65 -5.224 21.043 -4.782 370 HG2 PRO 65 HG2 PRO 65 -4.673 18.411 -5.182 371 HG3 PRO 65 HG3 PRO 65 -3.785 19.731 -5.943 372 HD2 PRO 65 HD2 PRO 65 -2.807 17.849 -4.010 373 HD3 PRO 65 HD3 PRO 65 -1.916 19.172 -4.787 374 H GLY 66 HN GLY 66 -5.218 19.581 -1.523 375 HA2 GLY 66 HA1 GLY 66 -6.515 21.937 -0.441 376 HA3 GLY 66 HA2 GLY 66 -6.929 20.268 -0.085 377 H GLY 67 HN GLY 67 -7.169 21.252 2.051 378 HA2 GLY 67 HA1 GLY 67 -4.890 22.293 3.430 379 HA3 GLY 67 HA2 GLY 67 -6.478 21.980 4.115 380 H GLU 68 HN GLU 68 -4.334 21.492 5.577 381 HA GLU 68 HA GLU 68 -3.216 18.876 5.269 382 HB2 GLU 68 HB2 GLU 68 -2.134 20.916 6.285 383 HB3 GLU 68 HB3 GLU 68 -3.212 20.731 7.659 384 HG2 GLU 68 HG2 GLU 68 -2.194 18.567 8.151 385 HG3 GLU 68 HG3 GLU 68 -1.092 18.765 6.783 386 H GLU 69 HN GLU 69 -5.938 20.228 6.837 387 HA GLU 69 HA GLU 69 -5.915 18.629 9.197 388 HB2 GLU 69 HB2 GLU 69 -8.112 19.787 9.599 389 HB3 GLU 69 HB3 GLU 69 -6.724 20.843 9.328 390 HG2 GLU 69 HG2 GLU 69 -7.504 20.940 6.889 391 HG3 GLU 69 HG3 GLU 69 -9.001 20.222 7.465 392 H VAL 70 HN VAL 70 -7.972 18.581 6.291 393 HA VAL 70 HA VAL 70 -9.677 16.605 7.597 394 HB VAL 70 HB VAL 70 -11.117 16.813 5.563 395 HG11 VAL 70 HG11 VAL 70 -12.021 18.999 6.147 396 HG12 VAL 70 HG12 VAL 70 -11.611 18.079 7.595 397 HG13 VAL 70 HG13 VAL 70 -10.553 19.379 7.041 398 HG21 VAL 70 HG23 VAL 70 -9.437 17.517 3.977 399 HG22 VAL 70 HG21 VAL 70 -10.719 18.725 4.064 400 HG23 VAL 70 HG22 VAL 70 -9.180 19.010 4.876 401 H LEU 71 HN LEU 71 -6.992 16.534 5.646 402 HA LEU 71 HA LEU 71 -7.593 14.137 4.190 403 HG LEU 71 HG LEU 71 -6.019 16.937 3.723 404 HB2 LEU 71 HB2 LEU 71 -4.893 15.214 5.054 405 HB3 LEU 71 HB3 LEU 71 -5.204 14.035 3.793 406 HD11 LEU 71 HD11 LEU 71 -3.618 16.623 3.409 407 HD12 LEU 71 HD12 LEU 71 -3.926 15.428 2.158 408 HD13 LEU 71 HD13 LEU 71 -4.391 17.105 1.898 409 HD21 LEU 71 HD23 LEU 71 -7.637 15.500 2.607 410 HD22 LEU 71 HD21 LEU 71 -6.740 16.506 1.467 411 HD23 LEU 71 HD22 LEU 71 -6.343 14.795 1.633 412 H ARG 72 HN ARG 72 -6.613 15.057 7.315 413 HA ARG 72 HA ARG 72 -5.023 12.954 8.188 414 HE ARG 72 HE ARG 72 -3.668 15.737 9.777 415 HB2 ARG 72 HB2 ARG 72 -5.335 15.249 9.128 416 HB3 ARG 72 HB3 ARG 72 -6.839 14.688 9.838 417 HG2 ARG 72 HG2 ARG 72 -5.724 13.293 11.354 418 HG3 ARG 72 HG3 ARG 72 -4.218 13.346 10.426 419 HD2 ARG 72 HD2 ARG 72 -5.495 15.650 11.872 420 HD3 ARG 72 HD3 ARG 72 -4.051 14.777 12.385 421 HH11 ARG 72 HH12 ARG 72 -3.949 16.947 13.035 422 HH12 ARG 72 HH11 ARG 72 -2.884 18.294 12.764 423 HH21 ARG 72 HH22 ARG 72 -2.339 17.519 9.370 424 HH22 ARG 72 HH21 ARG 72 -2.007 18.656 10.640 425 H GLU 73 HN GLU 73 -8.487 13.397 8.343 426 HA GLU 73 HA GLU 73 -9.123 11.370 10.245 427 HB2 GLU 73 HB2 GLU 73 -10.525 13.359 9.665 428 HB3 GLU 73 HB3 GLU 73 -10.853 12.629 8.102 429 HG2 GLU 73 HG2 GLU 73 -12.725 12.142 9.342 430 HG3 GLU 73 HG3 GLU 73 -11.788 10.651 9.447 431 H GLN 74 HN GLN 74 -8.571 11.395 6.863 432 HA GLN 74 HA GLN 74 -10.089 8.972 6.319 433 HB2 GLN 74 HB2 GLN 74 -8.450 10.727 4.481 434 HB3 GLN 74 HB3 GLN 74 -9.555 9.458 3.977 435 HG2 GLN 74 HG2 GLN 74 -10.309 12.015 5.383 436 HG3 GLN 74 HG3 GLN 74 -10.531 11.674 3.674 437 HE21 GLN 74 HE21 GLN 74 -11.349 8.912 4.143 438 HE22 GLN 74 HE22 GLN 74 -12.961 8.975 4.787 439 H ALA 75 HN ALA 75 -7.102 9.768 7.432 440 HA ALA 75 HA ALA 75 -5.622 7.700 6.027 441 HB1 ALA 75 HB3 ALA 75 -3.684 8.518 7.295 442 HB2 ALA 75 HB1 ALA 75 -4.485 9.812 6.394 443 HB3 ALA 75 HB2 ALA 75 -4.739 9.659 8.132 444 H GLY 76 HN GLY 76 -4.678 5.948 7.056 445 HA2 GLY 76 HA1 GLY 76 -4.320 4.560 9.025 446 HA3 GLY 76 HA2 GLY 76 -5.789 5.260 9.714 447 H GLY 77 HN GLY 77 -7.286 5.089 7.254 448 HA2 GLY 77 HA1 GLY 77 -7.450 2.197 6.734 449 HA3 GLY 77 HA2 GLY 77 -8.878 3.009 7.365 450 H ASP 78 HN ASP 78 -10.027 2.447 5.399 451 HA ASP 78 HA ASP 78 -9.046 3.268 2.889 452 HB2 ASP 78 HB2 ASP 78 -11.779 2.445 3.800 453 HB3 ASP 78 HB3 ASP 78 -11.533 3.116 2.191 454 H ALA 79 HN ALA 79 -8.776 5.242 2.138 455 HA ALA 79 HA ALA 79 -10.480 7.408 3.113 456 HB1 ALA 79 HB3 ALA 79 -8.891 8.913 2.070 457 HB2 ALA 79 HB1 ALA 79 -8.030 7.753 3.091 458 HB3 ALA 79 HB2 ALA 79 -8.041 7.549 1.339 459 H THR 80 HN THR 80 -10.881 5.144 1.021 460 HA THR 80 HA THR 80 -11.061 6.456 -1.486 461 HB THR 80 HB THR 80 -10.666 3.964 -1.008 462 HG1 THR 80 HG1 THR 80 -12.657 4.359 -2.994 463 HG21 THR 80 HG23 THR 80 -12.677 3.619 0.390 464 HG22 THR 80 HG21 THR 80 -12.659 2.549 -1.014 465 HG23 THR 80 HG22 THR 80 -13.676 3.984 -1.016 466 H GLU 81 HN GLU 81 -13.096 6.574 1.177 467 HA GLU 81 HA GLU 81 -15.663 6.708 0.169 468 HB2 GLU 81 HB2 GLU 81 -14.398 8.588 2.186 469 HB3 GLU 81 HB3 GLU 81 -16.125 8.308 1.974 470 HG2 GLU 81 HG2 GLU 81 -15.897 6.035 2.697 471 HG3 GLU 81 HG3 GLU 81 -14.141 6.193 2.762 472 H ASN 82 HN ASN 82 -13.052 9.030 0.010 473 HA ASN 82 HA ASN 82 -14.645 11.083 -1.203 474 HB2 ASN 82 HB2 ASN 82 -12.872 11.672 0.362 475 HB3 ASN 82 HB3 ASN 82 -11.671 10.872 -0.654 476 HD21 ASN 82 HD21 ASN 82 -10.951 11.897 -2.527 477 HD22 ASN 82 HD22 ASN 82 -11.334 13.540 -2.894 478 H PHE 83 HN PHE 83 -12.676 8.452 -2.196 479 HA PHE 83 HA PHE 83 -11.754 9.621 -4.650 480 HD1 PHE 83 HD1 PHE 83 -9.174 9.144 -5.210 481 HD2 PHE 83 HD2 PHE 83 -11.357 5.545 -5.726 482 HE1 PHE 83 HE1 PHE 83 -7.916 8.678 -7.270 483 HE2 PHE 83 HE2 PHE 83 -10.090 5.072 -7.779 484 HZ PHE 83 HZ PHE 83 -8.420 6.674 -8.594 485 HB2 PHE 83 HB2 PHE 83 -10.411 7.991 -3.321 486 HB3 PHE 83 HB3 PHE 83 -11.592 6.751 -3.748 487 H GLU 84 HN GLU 84 -14.247 7.403 -3.633 488 HA GLU 84 HA GLU 84 -15.137 6.498 -6.148 489 HB2 GLU 84 HB2 GLU 84 -15.990 6.456 -3.344 490 HB3 GLU 84 HB3 GLU 84 -17.327 6.471 -4.478 491 HG2 GLU 84 HG2 GLU 84 -16.576 4.222 -3.742 492 HG3 GLU 84 HG3 GLU 84 -16.631 4.463 -5.479 493 H ASP 85 HN ASP 85 -15.516 9.427 -4.438 494 HA ASP 85 HA ASP 85 -17.813 10.359 -6.027 495 HB2 ASP 85 HB2 ASP 85 -17.873 10.605 -3.546 496 HB3 ASP 85 HB3 ASP 85 -16.429 11.597 -3.630 497 H VAL 86 HN VAL 86 -14.697 11.658 -4.874 498 HA VAL 86 HA VAL 86 -14.580 13.492 -7.134 499 HB VAL 86 HB VAL 86 -12.631 13.151 -4.843 500 HG11 VAL 86 HG11 VAL 86 -12.982 15.400 -6.828 501 HG12 VAL 86 HG12 VAL 86 -11.813 15.356 -5.505 502 HG13 VAL 86 HG13 VAL 86 -11.682 14.210 -6.837 503 HG21 VAL 86 HG23 VAL 86 -14.799 13.790 -3.984 504 HG22 VAL 86 HG21 VAL 86 -13.687 15.154 -3.883 505 HG23 VAL 86 HG22 VAL 86 -14.906 15.101 -5.159 506 H GLY 87 HN GLY 87 -14.257 12.079 -8.821 507 HA2 GLY 87 HA1 GLY 87 -12.184 10.119 -8.841 508 HA3 GLY 87 HA2 GLY 87 -13.072 10.693 -10.252 509 H HIS 88 HN HIS 88 -10.164 10.689 -8.631 510 HA HIS 88 HA HIS 88 -8.981 13.104 -9.265 511 HD1 HIS 88 HD1 HIS 88 -9.221 10.753 -6.460 512 HD2 HIS 88 HD2 HIS 88 -5.867 13.099 -7.305 513 HE1 HIS 88 HE1 HIS 88 -8.426 11.729 -4.245 514 HB2 HIS 88 HB2 HIS 88 -7.920 10.317 -8.870 515 HB3 HIS 88 HB3 HIS 88 -6.836 11.613 -9.349 516 H SER 89 HN SER 89 -7.990 13.937 -11.075 517 HA SER 89 HA SER 89 -8.768 12.868 -13.595 518 HG SER 89 HG SER 89 -6.707 16.285 -12.756 519 HB2 SER 89 HB2 SER 89 -7.156 14.778 -14.366 520 HB3 SER 89 HB3 SER 89 -8.681 15.198 -13.574 521 H THR 90 HN THR 90 -7.013 12.749 -15.412 522 HA THR 90 HA THR 90 -5.294 10.605 -14.663 523 HB THR 90 HB THR 90 -5.263 12.029 -17.299 524 HG1 THR 90 HG1 THR 90 -7.120 11.072 -17.797 525 HG21 THR 90 HG23 THR 90 -4.658 9.195 -16.484 526 HG22 THR 90 HG21 THR 90 -3.471 10.422 -16.927 527 HG23 THR 90 HG22 THR 90 -4.611 9.808 -18.136 528 H ASP 91 HN ASP 91 -3.749 11.235 -13.320 529 HA ASP 91 HA ASP 91 -1.329 12.305 -14.152 530 HB2 ASP 91 HB2 ASP 91 -2.683 14.440 -14.218 531 HB3 ASP 91 HB3 ASP 91 -2.925 14.271 -12.483 532 H ALA 92 HN ALA 92 -3.398 12.745 -11.345 533 HA ALA 92 HA ALA 92 -1.640 11.787 -9.366 534 HB1 ALA 92 HB3 ALA 92 -3.645 11.720 -7.960 535 HB2 ALA 92 HB1 ALA 92 -3.504 13.231 -8.857 536 HB3 ALA 92 HB2 ALA 92 -4.645 11.996 -9.387 537 H ARG 93 HN ARG 93 -3.832 10.283 -11.531 538 HA ARG 93 HA ARG 93 -4.177 7.766 -10.335 539 HE ARG 93 HE ARG 93 -8.390 9.424 -12.489 540 HB2 ARG 93 HB2 ARG 93 -4.109 8.591 -13.243 541 HB3 ARG 93 HB3 ARG 93 -4.649 7.010 -12.682 542 HG2 ARG 93 HG2 ARG 93 -6.464 8.060 -11.455 543 HG3 ARG 93 HG3 ARG 93 -5.906 9.655 -11.956 544 HD2 ARG 93 HD2 ARG 93 -6.332 9.101 -14.284 545 HD3 ARG 93 HD3 ARG 93 -6.809 7.467 -13.825 546 HH11 ARG 93 HH12 ARG 93 -7.942 7.927 -15.626 547 HH12 ARG 93 HH11 ARG 93 -9.602 8.097 -16.096 548 HH21 ARG 93 HH22 ARG 93 -10.572 9.609 -13.086 549 HH22 ARG 93 HH21 ARG 93 -11.108 9.011 -14.623 550 H GLU 94 HN GLU 94 -1.445 9.229 -11.597 551 HA GLU 94 HA GLU 94 -0.123 6.684 -12.225 552 HB2 GLU 94 HB2 GLU 94 0.483 9.459 -13.310 553 HB3 GLU 94 HB3 GLU 94 1.361 7.992 -13.714 554 HG2 GLU 94 HG2 GLU 94 -0.626 7.081 -14.799 555 HG3 GLU 94 HG3 GLU 94 -1.535 8.528 -14.366 556 H MET 95 HN MET 95 0.129 9.872 -10.878 557 HA MET 95 HA MET 95 2.766 9.874 -9.984 558 HB2 MET 95 HB2 MET 95 1.379 11.895 -10.269 559 HB3 MET 95 HB3 MET 95 0.367 11.380 -8.922 560 HG2 MET 95 HG2 MET 95 2.230 11.593 -7.390 561 HG3 MET 95 HG3 MET 95 3.300 12.026 -8.727 562 HE1 MET 95 HE3 MET 95 3.293 13.768 -6.209 563 HE2 MET 95 HE1 MET 95 4.173 14.221 -7.667 564 HE3 MET 95 HE2 MET 95 3.150 15.410 -6.855 565 H SER 96 HN SER 96 -0.164 8.654 -8.556 566 HA SER 96 HA SER 96 0.757 8.751 -5.864 567 HG SER 96 HG SER 96 -0.631 7.415 -4.465 568 HB2 SER 96 HB2 SER 96 -1.692 8.774 -6.669 569 HB3 SER 96 HB3 SER 96 -1.504 7.035 -6.771 570 H LYS 97 HN LYS 97 1.411 6.715 -8.375 571 HA LYS 97 HA LYS 97 1.281 4.123 -7.316 572 HB2 LYS 97 HB2 LYS 97 2.805 5.371 -9.581 573 HB3 LYS 97 HB3 LYS 97 3.099 3.697 -9.128 574 HG2 LYS 97 HG2 LYS 97 0.740 3.166 -9.509 575 HG3 LYS 97 HG3 LYS 97 0.446 4.849 -9.964 576 HD2 LYS 97 HD2 LYS 97 1.881 4.655 -11.852 577 HD3 LYS 97 HD3 LYS 97 2.442 3.058 -11.346 578 HE2 LYS 97 HE2 LYS 97 -0.415 3.697 -12.045 579 HE3 LYS 97 HE3 LYS 97 0.765 3.059 -13.196 580 HZ1 LYS 97 HZ3 LYS 97 0.978 1.073 -11.913 581 HZ2 LYS 97 HZ1 LYS 97 -0.676 1.335 -12.144 582 HZ3 LYS 97 HZ2 LYS 97 0.044 1.689 -10.651 583 H THR 98 HN THR 98 3.561 6.654 -6.852 584 HA THR 98 HA THR 98 5.647 4.869 -5.861 585 HB THR 98 HB THR 98 6.894 7.041 -5.462 586 HG1 THR 98 HG1 THR 98 5.169 8.352 -7.227 587 HG21 THR 98 HG23 THR 98 7.294 5.679 -7.452 588 HG22 THR 98 HG21 THR 98 7.369 7.399 -7.856 589 HG23 THR 98 HG22 THR 98 5.937 6.457 -8.263 590 H PHE 99 HN PHE 99 2.922 6.368 -4.747 591 HA PHE 99 HA PHE 99 3.841 6.618 -1.992 592 HD1 PHE 99 HD1 PHE 99 3.477 9.065 -1.026 593 HD2 PHE 99 HD2 PHE 99 1.628 8.895 -4.838 594 HE1 PHE 99 HE1 PHE 99 4.370 11.281 -1.553 595 HE2 PHE 99 HE2 PHE 99 2.517 11.126 -5.391 596 HZ PHE 99 HZ PHE 99 3.835 12.368 -3.694 597 HB2 PHE 99 HB2 PHE 99 1.169 7.248 -3.273 598 HB3 PHE 99 HB3 PHE 99 1.555 7.507 -1.575 599 H ILE 100 HN ILE 100 2.307 4.505 -4.149 600 HA ILE 100 HA ILE 100 0.723 2.959 -2.374 601 HB ILE 100 HB ILE 100 2.006 2.027 -4.947 602 HG12 ILE 100 HG12 ILE 100 -0.732 3.224 -4.441 603 HG13 ILE 100 HG13 ILE 100 0.569 3.988 -5.347 604 HG21 ILE 100 HG21 ILE 100 1.276 0.216 -3.513 605 HG22 ILE 100 HG22 ILE 100 -0.315 0.959 -3.357 606 HG23 ILE 100 HG23 ILE 100 0.224 0.351 -4.920 607 HD11 ILE 100 HD13 ILE 100 -1.120 3.044 -6.834 608 HD12 ILE 100 HD11 ILE 100 0.424 2.205 -7.027 609 HD13 ILE 100 HD12 ILE 100 -0.877 1.460 -6.101 610 H ILE 101 HN ILE 101 1.749 1.941 -0.602 611 HA ILE 101 HA ILE 101 4.484 1.000 -1.084 612 HB ILE 101 HB ILE 101 4.791 1.028 1.370 613 HG12 ILE 101 HG12 ILE 101 2.080 2.352 1.357 614 HG13 ILE 101 HG13 ILE 101 2.427 0.749 1.999 615 HG21 ILE 101 HG21 ILE 101 4.967 3.444 1.576 616 HG22 ILE 101 HG22 ILE 101 5.496 2.906 -0.017 617 HG23 ILE 101 HG23 ILE 101 3.907 3.648 0.178 618 HD11 ILE 101 HD13 ILE 101 2.303 2.388 3.782 619 HD12 ILE 101 HD11 ILE 101 3.938 1.736 3.641 620 HD13 ILE 101 HD12 ILE 101 3.568 3.339 3.004 621 H GLY 102 HN GLY 102 1.393 -0.314 -0.652 622 HA2 GLY 102 HA1 GLY 102 2.139 -2.859 -1.277 623 HA3 GLY 102 HA2 GLY 102 2.308 -2.801 0.467 624 H GLU 103 HN GLU 103 0.634 -4.589 0.140 625 HA GLU 103 HA GLU 103 -2.051 -3.375 0.120 626 HB2 GLU 103 HB2 GLU 103 -1.169 -6.165 -0.609 627 HB3 GLU 103 HB3 GLU 103 -2.833 -5.824 -0.156 628 HG2 GLU 103 HG2 GLU 103 -2.904 -4.122 -1.980 629 HG3 GLU 103 HG3 GLU 103 -1.312 -4.679 -2.492 630 H LEU 104 HN LEU 104 -3.581 -5.050 1.442 631 HA LEU 104 HA LEU 104 -2.612 -4.923 4.169 632 HG LEU 104 HG LEU 104 -5.092 -3.709 2.483 633 HB2 LEU 104 HB2 LEU 104 -5.204 -6.054 3.126 634 HB3 LEU 104 HB3 LEU 104 -4.849 -5.633 4.783 635 HD11 LEU 104 HD11 LEU 104 -7.229 -4.573 3.273 636 HD12 LEU 104 HD12 LEU 104 -6.798 -4.136 4.928 637 HD13 LEU 104 HD13 LEU 104 -7.038 -2.874 3.717 638 HD21 LEU 104 HD23 LEU 104 -4.464 -3.206 5.388 639 HD22 LEU 104 HD21 LEU 104 -3.367 -2.966 4.022 640 HD23 LEU 104 HD22 LEU 104 -4.802 -1.958 4.189 641 H HIS 105 HN HIS 105 -2.566 -6.729 5.668 642 HA HIS 105 HA HIS 105 -1.458 -9.098 4.568 643 HD1 HIS 105 HD1 HIS 105 -2.803 -10.798 8.534 644 HD2 HIS 105 HD2 HIS 105 -3.413 -6.768 7.759 645 HE1 HIS 105 HE1 HIS 105 -4.479 -10.024 10.240 646 HE2 HIS 105 HE2 HIS 105 -5.109 -7.706 9.480 647 HB2 HIS 105 HB2 HIS 105 -1.285 -9.896 6.806 648 HB3 HIS 105 HB3 HIS 105 -1.012 -8.175 6.858 649 HA PRO 106 HA PRO 106 -3.893 -12.279 3.112 650 HB2 PRO 106 HB2 PRO 106 -4.486 -13.121 5.934 651 HB3 PRO 106 HB3 PRO 106 -4.161 -14.129 4.513 652 HG2 PRO 106 HG2 PRO 106 -2.265 -13.357 6.357 653 HG3 PRO 106 HG3 PRO 106 -1.916 -13.863 4.702 654 HD2 PRO 106 HD2 PRO 106 -1.462 -11.310 5.828 655 HD3 PRO 106 HD3 PRO 106 -1.326 -11.755 4.122 656 H ASP 107 HN ASP 107 -5.716 -11.418 6.107 657 HA ASP 107 HA ASP 107 -8.112 -12.333 4.757 658 HB2 ASP 107 HB2 ASP 107 -7.644 -13.005 7.079 659 HB3 ASP 107 HB3 ASP 107 -7.688 -11.317 7.560 660 H ASP 108 HN ASP 108 -6.639 -9.477 5.822 661 HA ASP 108 HA ASP 108 -8.888 -7.734 5.599 662 HB2 ASP 108 HB2 ASP 108 -5.934 -7.195 5.807 663 HB3 ASP 108 HB3 ASP 108 -7.218 -6.014 6.102 664 H ARG 109 HN ARG 109 -6.454 -9.008 3.568 665 HA ARG 109 HA ARG 109 -6.014 -6.801 1.901 666 HE ARG 109 HE ARG 109 -3.105 -8.071 -1.960 667 HB2 ARG 109 HB2 ARG 109 -4.429 -8.612 2.101 668 HB3 ARG 109 HB3 ARG 109 -5.586 -9.740 1.396 669 HG2 ARG 109 HG2 ARG 109 -5.528 -8.389 -0.695 670 HG3 ARG 109 HG3 ARG 109 -4.258 -7.403 0.032 671 HD2 ARG 109 HD2 ARG 109 -2.883 -9.427 0.305 672 HD3 ARG 109 HD3 ARG 109 -4.131 -10.367 -0.515 673 HH11 ARG 109 HH12 ARG 109 -3.011 -11.540 -1.450 674 HH12 ARG 109 HH11 ARG 109 -2.140 -11.867 -2.921 675 HH21 ARG 109 HH22 ARG 109 -2.007 -8.466 -3.886 676 HH22 ARG 109 HH21 ARG 109 -1.601 -10.096 -4.341 677 HA PRO 110 HA PRO 110 -9.065 -8.798 -1.266 678 HB2 PRO 110 HB2 PRO 110 -10.874 -10.381 0.400 679 HB3 PRO 110 HB3 PRO 110 -10.097 -10.835 -1.118 680 HG2 PRO 110 HG2 PRO 110 -9.352 -11.902 1.242 681 HG3 PRO 110 HG3 PRO 110 -8.165 -11.584 -0.039 682 HD2 PRO 110 HD2 PRO 110 -8.779 -10.014 2.426 683 HD3 PRO 110 HD3 PRO 110 -7.211 -10.372 1.681 684 H LYS 111 HN LYS 111 -10.349 -8.452 2.031 685 HA LYS 111 HA LYS 111 -12.025 -7.197 2.930 686 HB2 LYS 111 HB2 LYS 111 -11.403 -5.491 0.528 687 HB3 LYS 111 HB3 LYS 111 -12.613 -5.034 1.710 688 HG2 LYS 111 HG2 LYS 111 -11.028 -4.754 3.403 689 HG3 LYS 111 HG3 LYS 111 -9.793 -5.649 2.503 690 HD2 LYS 111 HD2 LYS 111 -9.328 -3.259 2.456 691 HD3 LYS 111 HD3 LYS 111 -9.712 -3.856 0.835 692 HE2 LYS 111 HE2 LYS 111 -10.868 -1.817 1.070 693 HE3 LYS 111 HE3 LYS 111 -12.077 -3.082 1.249 694 HZ1 LYS 111 HZ3 LYS 111 -12.534 -1.631 2.974 695 HZ2 LYS 111 HZ1 LYS 111 -10.898 -1.332 3.317 696 HZ3 LYS 111 HZ2 LYS 111 -11.604 -2.819 3.730 697 H LEU 112 HN LEU 112 -12.746 -6.759 -0.507 698 HA LEU 112 HA LEU 112 -15.559 -7.368 -0.071 699 HG LEU 112 HG LEU 112 -16.087 -7.759 -3.172 700 HB2 LEU 112 HB2 LEU 112 -14.919 -5.527 -1.520 701 HB3 LEU 112 HB3 LEU 112 -13.957 -6.590 -2.520 702 HD11 LEU 112 HD11 LEU 112 -18.183 -6.572 -2.827 703 HD12 LEU 112 HD12 LEU 112 -17.482 -7.046 -1.280 704 HD13 LEU 112 HD13 LEU 112 -17.363 -5.373 -1.825 705 HD21 LEU 112 HD23 LEU 112 -14.976 -6.115 -4.598 706 HD22 LEU 112 HD21 LEU 112 -16.727 -6.019 -4.747 707 HD23 LEU 112 HD22 LEU 112 -15.860 -4.812 -3.802 708 H ASN 113 HN ASN 113 -16.641 -9.115 -0.912 709 HA ASN 113 HA ASN 113 -17.044 -11.153 -1.843 710 HB2 ASN 113 HB2 ASN 113 -16.447 -9.668 -3.802 711 HB3 ASN 113 HB3 ASN 113 -14.860 -10.419 -3.779 712 HD21 ASN 113 HD21 ASN 113 -14.620 -12.522 -4.460 713 HD22 ASN 113 HD22 ASN 113 -15.872 -13.373 -5.297 714 H LYS 114 HN LYS 114 -15.838 -11.755 0.265 715 HA LYS 114 HA LYS 114 -13.475 -13.388 -0.368 716 HB2 LYS 114 HB2 LYS 114 -12.968 -11.566 1.185 717 HB3 LYS 114 HB3 LYS 114 -14.255 -12.086 2.257 718 HG2 LYS 114 HG2 LYS 114 -13.050 -14.178 2.677 719 HG3 LYS 114 HG3 LYS 114 -11.761 -13.645 1.600 720 HD2 LYS 114 HD2 LYS 114 -11.153 -13.248 3.908 721 HD3 LYS 114 HD3 LYS 114 -11.345 -11.727 3.045 722 HE2 LYS 114 HE2 LYS 114 -13.595 -11.480 4.006 723 HE3 LYS 114 HE3 LYS 114 -13.374 -12.989 4.877 724 HZ1 LYS 114 HZ3 LYS 114 -11.581 -12.021 6.123 725 HZ2 LYS 114 HZ1 LYS 114 -12.947 -11.025 6.255 726 HZ3 LYS 114 HZ2 LYS 114 -11.676 -10.584 5.231 727 HA PRO 115 HA PRO 115 -16.668 -16.430 0.771 728 HB2 PRO 115 HB2 PRO 115 -15.578 -18.184 -1.203 729 HB3 PRO 115 HB3 PRO 115 -17.088 -17.276 -1.270 730 HG2 PRO 115 HG2 PRO 115 -14.870 -16.838 -2.874 731 HG3 PRO 115 HG3 PRO 115 -16.161 -15.666 -2.591 732 HD2 PRO 115 HD2 PRO 115 -13.448 -15.832 -1.356 733 HD3 PRO 115 HD3 PRO 115 -14.405 -14.402 -1.807 734 HA PRO 116 HA PRO 116 -13.692 -18.626 3.327 735 HB2 PRO 116 HB2 PRO 116 -15.945 -20.094 4.425 736 HB3 PRO 116 HB3 PRO 116 -14.955 -18.862 5.202 737 HG2 PRO 116 HG2 PRO 116 -17.566 -18.516 4.538 738 HG3 PRO 116 HG3 PRO 116 -16.396 -17.193 4.696 739 HD2 PRO 116 HD2 PRO 116 -17.474 -18.510 2.231 740 HD3 PRO 116 HD3 PRO 116 -17.066 -16.799 2.520 741 H GLU 117 HN GLU 117 -16.487 -20.352 1.983 742 HA GLU 117 HA GLU 117 -14.968 -22.448 0.821 743 HB2 GLU 117 HB2 GLU 117 -14.875 -22.888 3.338 744 HB3 GLU 117 HB3 GLU 117 -16.609 -23.169 3.264 745 HG2 GLU 117 HG2 GLU 117 -16.159 -24.996 1.624 746 HG3 GLU 117 HG3 GLU 117 -14.436 -24.763 1.922 747 H THR 118 HN THR 118 -16.871 -24.375 0.445 748 HA THR 118 HA THR 118 -18.938 -23.076 -1.007 749 HB THR 118 HB THR 118 -18.856 -25.981 -0.122 750 HG1 THR 118 HG1 THR 118 -17.604 -26.369 -1.803 751 HG21 THR 118 HG23 THR 118 -21.072 -25.173 -0.885 752 HG22 THR 118 HG21 THR 118 -20.380 -26.388 -1.967 753 HG23 THR 118 HG22 THR 118 -20.336 -24.683 -2.412 754 H LEU 119 HN LEU 119 -19.126 -25.152 1.873 755 HA LEU 119 HA LEU 119 -20.786 -23.569 3.458 756 HG LEU 119 HG LEU 119 -23.198 -23.162 3.566 757 HB2 LEU 119 HB2 LEU 119 -22.329 -24.082 1.410 758 HB3 LEU 119 HB3 LEU 119 -22.449 -25.684 2.103 759 HD11 LEU 119 HD11 LEU 119 -25.516 -23.872 3.115 760 HD12 LEU 119 HD12 LEU 119 -24.640 -23.411 1.661 761 HD13 LEU 119 HD13 LEU 119 -24.901 -25.113 2.029 762 HD21 LEU 119 HD23 LEU 119 -24.375 -24.691 5.081 763 HD22 LEU 119 HD21 LEU 119 -23.774 -26.069 4.153 764 HD23 LEU 119 HD22 LEU 119 -22.642 -25.038 5.038 765 H ILE 120 HN ILE 120 -20.582 -26.919 2.308 766 HA ILE 120 HA ILE 120 -20.167 -27.806 5.083 767 HB ILE 120 HB ILE 120 -21.265 -29.379 2.751 768 HG12 ILE 120 HG12 ILE 120 -22.633 -28.440 5.282 769 HG13 ILE 120 HG13 ILE 120 -22.823 -27.666 3.713 770 HG21 ILE 120 HG21 ILE 120 -21.728 -31.105 4.459 771 HG22 ILE 120 HG22 ILE 120 -20.020 -30.833 4.137 772 HG23 ILE 120 HG23 ILE 120 -20.753 -30.177 5.600 773 HD11 ILE 120 HD13 ILE 120 -24.666 -29.204 4.373 774 HD12 ILE 120 HD11 ILE 120 -23.924 -29.601 2.821 775 HD13 ILE 120 HD12 ILE 120 -23.517 -30.534 4.272 776 H THR 121 HN THR 121 -18.066 -28.035 5.397 777 HA THR 121 HA THR 121 -16.060 -28.623 3.571 778 HB THR 121 HB THR 121 -16.024 -29.533 6.437 779 HG1 THR 121 HG1 THR 121 -16.017 -26.900 5.369 780 HG21 THR 121 HG23 THR 121 -14.039 -30.028 5.073 781 HG22 THR 121 HG21 THR 121 -13.680 -28.843 6.325 782 HG23 THR 121 HG22 THR 121 -13.906 -28.322 4.661 783 H THR 122 HN THR 122 -14.962 -30.541 3.067 784 HA THR 122 HA THR 122 -16.425 -32.742 2.367 785 HB THR 122 HB THR 122 -14.178 -33.967 2.343 786 HG1 THR 122 HG1 THR 122 -13.064 -32.839 3.898 787 HG21 THR 122 HG23 THR 122 -13.333 -32.668 0.444 788 HG22 THR 122 HG21 THR 122 -14.344 -31.299 0.915 789 HG23 THR 122 HG22 THR 122 -15.090 -32.799 0.364 790 H ILE 123 HN ILE 123 -17.630 -33.934 3.639 791 HA ILE 123 HA ILE 123 -17.170 -34.240 6.418 792 HB ILE 123 HB ILE 123 -19.416 -34.322 5.482 793 HG12 ILE 123 HG12 ILE 123 -18.686 -36.986 6.736 794 HG13 ILE 123 HG13 ILE 123 -18.962 -35.485 7.613 795 HG21 ILE 123 HG21 ILE 123 -19.028 -35.348 3.359 796 HG22 ILE 123 HG22 ILE 123 -18.518 -36.860 4.115 797 HG23 ILE 123 HG23 ILE 123 -20.195 -36.330 4.238 798 HD11 ILE 123 HD13 ILE 123 -20.886 -37.045 7.614 799 HD12 ILE 123 HD11 ILE 123 -21.265 -35.452 6.967 800 HD13 ILE 123 HD12 ILE 123 -21.020 -36.817 5.875 801 H ASP 124 HN ASP 124 -16.288 -36.112 3.613 802 HA ASP 124 HA ASP 124 -15.184 -38.205 5.342 803 HB2 ASP 124 HB2 ASP 124 -14.939 -39.560 3.328 804 HB3 ASP 124 HB3 ASP 124 -16.595 -38.970 3.456 805 H SER 125 HN SER 125 -12.992 -38.990 4.856 806 HA SER 125 HA SER 125 -11.254 -36.730 4.257 807 HG SER 125 HG SER 125 -10.706 -37.264 6.886 808 HB2 SER 125 HB2 SER 125 -10.467 -39.514 5.195 809 HB3 SER 125 HB3 SER 125 -9.502 -38.036 5.255 810 H SER 126 HN SER 126 -12.743 -39.066 2.519 811 HA SER 126 HA SER 126 -12.410 -40.211 0.589 812 HG SER 126 HG SER 126 -12.905 -37.854 0.363 813 HB2 SER 126 HB2 SER 126 -10.277 -38.103 0.157 814 HB3 SER 126 HB3 SER 126 -10.974 -39.132 -1.092 815 H SER 127 HN SER 127 -9.813 -40.558 -0.802 816 HA SER 127 HA SER 127 -8.599 -42.445 1.076 817 HG SER 127 HG SER 127 -9.911 -43.654 -0.399 818 HB2 SER 127 HB2 SER 127 -8.114 -42.083 -1.900 819 HB3 SER 127 HB3 SER 127 -7.475 -43.393 -0.904 820 H SER 128 HN SER 128 -7.585 -39.989 -1.277 821 HA SER 128 HA SER 128 -5.917 -38.679 0.593 822 HG SER 128 HG SER 128 -4.055 -39.800 -2.542 823 HB2 SER 128 HB2 SER 128 -3.766 -39.015 -0.620 824 HB3 SER 128 HB3 SER 128 -4.374 -40.499 0.108 825 HHA HEM 129 HHA HEM 129 -6.119 17.350 -6.731 826 HHB HEM 129 HHB HEM 129 -2.048 12.377 -6.161 827 HHC HEM 129 HHC HEM 129 -5.372 10.257 -1.151 828 HHD HEM 129 HHD HEM 129 -9.490 15.208 -1.652 829 HAB HEM 129 HAB HEM 129 -2.415 9.535 -0.942 830 HAC HEM 129 HAC HEM 129 -10.270 13.789 0.097 831 HMA1 HEM 129 HMA1 HEM 129 -1.455 15.574 -8.427 832 HMA2 HEM 129 HMA2 HEM 129 -0.771 14.947 -6.926 833 HMA3 HEM 129 HMA3 HEM 129 -1.433 13.835 -8.138 834 HAA1 HEM 129 HAA1 HEM 129 -3.200 17.617 -8.339 835 HAA2 HEM 129 HAA2 HEM 129 -3.275 16.250 -8.947 836 HBA1 HEM 129 HBA1 HEM 129 -5.293 17.719 -9.783 837 HBA2 HEM 129 HBA2 HEM 129 -5.822 16.126 -9.203 838 HMB1 HEM 129 HMB1 HEM 129 -0.191 11.071 -3.572 839 HMB2 HEM 129 HMB2 HEM 129 -0.904 10.086 -5.010 840 HMB3 HEM 129 HMB3 HEM 129 -1.050 9.858 -3.511 841 HBB1 HEM 129 HBB1 HEM 129 -3.804 8.023 -3.172 842 HBB2 HEM 129 HBB2 HEM 129 -2.977 7.329 -1.649 843 HMC1 HEM 129 HMC1 HEM 129 -8.717 10.121 0.141 844 HMC2 HEM 129 HMC2 HEM 129 -7.010 9.740 -0.101 845 HMC3 HEM 129 HMC3 HEM 129 -7.551 10.749 1.287 846 HBC1 HEM 129 HBC1 HEM 129 -10.231 13.129 2.357 847 HBC2 HEM 129 HBC2 HEM 129 -8.574 12.326 2.163 848 HMD1 HEM 129 HMD1 HEM 129 -10.453 17.018 -2.217 849 HMD2 HEM 129 HMD2 HEM 129 -10.596 18.217 -3.651 850 HMD3 HEM 129 HMD3 HEM 129 -9.465 18.081 -2.659 851 HAD1 HEM 129 HAD1 HEM 129 -8.638 18.040 -6.951 852 HAD2 HEM 129 HAD2 HEM 129 -9.608 18.027 -5.796 853 HBD1 HEM 129 HBD1 HEM 129 -8.556 20.411 -6.268 854 HBD2 HEM 129 HBD2 HEM 129 -8.420 19.972 -4.556 Start of MODEL 7 1 HA MET 21 HA MET 21 16.131 -13.918 0.164 2 H1 MET 21 1H MET 21 14.118 -13.438 -1.862 3 HB2 MET 21 HB2 MET 21 15.332 -11.702 0.818 4 HB3 MET 21 HB3 MET 21 13.676 -12.288 0.832 5 HG2 MET 21 HG2 MET 21 14.304 -13.876 2.626 6 HG3 MET 21 HG3 MET 21 15.911 -13.155 2.653 7 HE1 MET 21 HE3 MET 21 12.406 -11.446 2.179 8 HE2 MET 21 HE1 MET 21 12.087 -12.625 3.450 9 HE3 MET 21 HE2 MET 21 12.052 -10.900 3.817 10 H ALA 22 HN ALA 22 12.544 -13.921 -0.005 11 HA ALA 22 HA ALA 22 12.558 -16.794 0.512 12 HB1 ALA 22 HB3 ALA 22 11.163 -16.625 2.499 13 HB2 ALA 22 HB1 ALA 22 12.705 -15.794 2.745 14 HB3 ALA 22 HB2 ALA 22 11.246 -14.863 2.418 15 H GLU 23 HN GLU 23 11.752 -15.381 -1.735 16 HA GLU 23 HA GLU 23 8.861 -15.865 -1.639 17 HB2 GLU 23 HB2 GLU 23 8.599 -14.132 -3.417 18 HB3 GLU 23 HB3 GLU 23 9.128 -13.499 -1.868 19 HG2 GLU 23 HG2 GLU 23 10.876 -13.983 -4.273 20 HG3 GLU 23 HG3 GLU 23 10.265 -12.422 -3.738 21 H GLN 24 HN GLN 24 9.658 -15.084 -4.765 22 HA GLN 24 HA GLN 24 10.827 -17.485 -5.685 23 HB2 GLN 24 HB2 GLN 24 8.797 -18.398 -6.861 24 HB3 GLN 24 HB3 GLN 24 8.797 -18.600 -5.119 25 HG2 GLN 24 HG2 GLN 24 7.252 -16.745 -4.886 26 HG3 GLN 24 HG3 GLN 24 7.284 -16.482 -6.630 27 HE21 GLN 24 HE21 GLN 24 7.351 -19.641 -5.166 28 HE22 GLN 24 HE22 GLN 24 5.786 -20.144 -5.692 29 H SER 25 HN SER 25 8.453 -14.996 -6.555 30 HA SER 25 HA SER 25 9.534 -14.916 -9.264 31 HG SER 25 HG SER 25 7.503 -16.173 -9.187 32 HB2 SER 25 HB2 SER 25 7.046 -13.576 -8.187 33 HB3 SER 25 HB3 SER 25 7.486 -13.800 -9.880 34 H ASP 26 HN ASP 26 8.883 -12.487 -10.111 35 HA ASP 26 HA ASP 26 11.169 -11.010 -9.653 36 HB2 ASP 26 HB2 ASP 26 9.684 -10.860 -11.644 37 HB3 ASP 26 HB3 ASP 26 8.520 -9.967 -10.674 38 H GLU 27 HN GLU 27 7.950 -9.708 -8.874 39 HA GLU 27 HA GLU 27 9.143 -8.519 -6.470 40 HB2 GLU 27 HB2 GLU 27 8.669 -6.850 -8.259 41 HB3 GLU 27 HB3 GLU 27 6.972 -7.303 -8.183 42 HG2 GLU 27 HG2 GLU 27 6.801 -6.471 -5.930 43 HG3 GLU 27 HG3 GLU 27 8.534 -6.139 -5.881 44 H ALA 28 HN ALA 28 7.817 -8.379 -4.623 45 HA ALA 28 HA ALA 28 5.661 -10.372 -4.638 46 HB1 ALA 28 HB3 ALA 28 6.116 -10.615 -2.239 47 HB2 ALA 28 HB1 ALA 28 7.551 -10.926 -3.213 48 HB3 ALA 28 HB2 ALA 28 7.377 -9.393 -2.364 49 H VAL 29 HN VAL 29 3.744 -9.990 -3.484 50 HA VAL 29 HA VAL 29 2.981 -7.193 -3.221 51 HB VAL 29 HB VAL 29 1.173 -9.464 -2.418 52 HG11 VAL 29 HG11 VAL 29 0.629 -6.829 -3.772 53 HG12 VAL 29 HG12 VAL 29 -0.571 -7.986 -3.194 54 HG13 VAL 29 HG13 VAL 29 0.473 -7.152 -2.045 55 HG21 VAL 29 HG23 VAL 29 1.648 -8.600 -5.276 56 HG22 VAL 29 HG21 VAL 29 2.093 -10.160 -4.580 57 HG23 VAL 29 HG22 VAL 29 0.393 -9.707 -4.722 58 H LYS 30 HN LYS 30 4.327 -6.634 -1.464 59 HA LYS 30 HA LYS 30 4.431 -8.130 0.935 60 HB2 LYS 30 HB2 LYS 30 6.043 -6.282 -0.056 61 HB3 LYS 30 HB3 LYS 30 5.058 -5.211 0.930 62 HG2 LYS 30 HG2 LYS 30 6.032 -7.615 2.301 63 HG3 LYS 30 HG3 LYS 30 7.284 -6.486 1.785 64 HD2 LYS 30 HD2 LYS 30 5.908 -4.669 2.903 65 HD3 LYS 30 HD3 LYS 30 4.964 -5.977 3.621 66 HE2 LYS 30 HE2 LYS 30 6.893 -6.851 4.733 67 HE3 LYS 30 HE3 LYS 30 7.959 -5.740 3.872 68 HZ1 LYS 30 HZ3 LYS 30 5.935 -5.037 5.920 69 HZ2 LYS 30 HZ1 LYS 30 6.788 -3.894 5.005 70 HZ3 LYS 30 HZ2 LYS 30 7.616 -4.919 6.070 71 H TYR 31 HN TYR 31 3.111 -8.186 2.631 72 HA TYR 31 HA TYR 31 0.758 -6.436 2.526 73 HD1 TYR 31 HD2 TYR 31 -0.624 -7.346 1.224 74 HD2 TYR 31 HD1 TYR 31 0.701 -11.032 2.886 75 HE1 TYR 31 HE2 TYR 31 -1.441 -8.527 -0.763 76 HE2 TYR 31 HE1 TYR 31 -0.119 -12.225 0.895 77 HH TYR 31 HH TYR 31 -1.064 -10.567 -1.949 78 HB2 TYR 31 HB2 TYR 31 1.192 -9.046 3.993 79 HB3 TYR 31 HB3 TYR 31 -0.292 -8.107 4.014 80 H TYR 32 HN TYR 32 -0.129 -5.624 4.464 81 HA TYR 32 HA TYR 32 1.597 -5.659 6.834 82 HD1 TYR 32 HD2 TYR 32 1.937 -3.303 3.859 83 HD2 TYR 32 HD1 TYR 32 2.878 -3.045 7.998 84 HE1 TYR 32 HE2 TYR 32 4.215 -2.566 3.290 85 HE2 TYR 32 HE1 TYR 32 5.154 -2.316 7.445 86 HH TYR 32 HH TYR 32 6.128 -1.594 4.170 87 HB2 TYR 32 HB2 TYR 32 0.183 -3.291 5.596 88 HB3 TYR 32 HB3 TYR 32 0.622 -3.307 7.299 89 H THR 33 HN THR 33 -0.262 -4.431 8.589 90 HA THR 33 HA THR 33 -2.660 -6.099 8.208 91 HB THR 33 HB THR 33 -2.949 -5.899 10.704 92 HG1 THR 33 HG1 THR 33 -0.680 -5.549 11.674 93 HG21 THR 33 HG23 THR 33 -2.153 -7.963 9.701 94 HG22 THR 33 HG21 THR 33 -1.311 -7.667 11.222 95 HG23 THR 33 HG22 THR 33 -0.500 -7.344 9.689 96 H LEU 34 HN LEU 34 -4.649 -5.112 9.383 97 HA LEU 34 HA LEU 34 -5.166 -2.493 8.560 98 HG LEU 34 HG LEU 34 -7.026 -1.554 10.872 99 HB2 LEU 34 HB2 LEU 34 -6.904 -4.127 9.281 100 HB3 LEU 34 HB3 LEU 34 -6.369 -3.925 10.938 101 HD11 LEU 34 HD11 LEU 34 -8.251 -0.638 9.022 102 HD12 LEU 34 HD12 LEU 34 -6.708 -1.249 8.427 103 HD13 LEU 34 HD13 LEU 34 -8.186 -2.173 8.156 104 HD21 LEU 34 HD23 LEU 34 -9.419 -1.910 10.918 105 HD22 LEU 34 HD21 LEU 34 -9.240 -3.416 10.022 106 HD23 LEU 34 HD22 LEU 34 -8.592 -3.281 11.658 107 H GLU 35 HN GLU 35 -4.158 -3.827 11.585 108 HA GLU 35 HA GLU 35 -3.987 -1.762 13.343 109 HB2 GLU 35 HB2 GLU 35 -3.533 -4.162 13.800 110 HB3 GLU 35 HB3 GLU 35 -1.981 -4.001 12.993 111 HG2 GLU 35 HG2 GLU 35 -1.472 -2.191 14.714 112 HG3 GLU 35 HG3 GLU 35 -2.864 -2.819 15.594 113 H GLU 36 HN GLU 36 -1.513 -2.823 11.079 114 HA GLU 36 HA GLU 36 0.533 -1.098 11.862 115 HB2 GLU 36 HB2 GLU 36 -0.037 -2.761 9.468 116 HB3 GLU 36 HB3 GLU 36 1.235 -1.553 9.343 117 HG2 GLU 36 HG2 GLU 36 1.086 -3.719 11.425 118 HG3 GLU 36 HG3 GLU 36 2.093 -3.752 9.978 119 H ILE 37 HN ILE 37 -2.153 -0.632 9.736 120 HA ILE 37 HA ILE 37 -1.035 1.833 8.653 121 HB ILE 37 HB ILE 37 -3.706 0.547 8.063 122 HG12 ILE 37 HG12 ILE 37 -1.122 0.368 6.493 123 HG13 ILE 37 HG13 ILE 37 -1.752 -0.917 7.520 124 HG21 ILE 37 HG21 ILE 37 -3.672 1.965 6.079 125 HG22 ILE 37 HG22 ILE 37 -3.557 2.937 7.546 126 HG23 ILE 37 HG23 ILE 37 -2.118 2.634 6.573 127 HD11 ILE 37 HD13 ILE 37 -3.715 -1.098 6.108 128 HD12 ILE 37 HD11 ILE 37 -3.119 0.216 5.095 129 HD13 ILE 37 HD12 ILE 37 -2.237 -1.310 5.170 130 H GLN 38 HN GLN 38 -3.538 0.676 10.773 131 HA GLN 38 HA GLN 38 -5.012 3.008 11.216 132 HB2 GLN 38 HB2 GLN 38 -5.468 0.592 11.935 133 HB3 GLN 38 HB3 GLN 38 -4.405 0.908 13.291 134 HG2 GLN 38 HG2 GLN 38 -6.681 1.164 13.975 135 HG3 GLN 38 HG3 GLN 38 -5.898 2.743 13.990 136 HE21 GLN 38 HE21 GLN 38 -6.445 4.252 12.380 137 HE22 GLN 38 HE22 GLN 38 -7.903 4.110 11.452 138 H LYS 39 HN LYS 39 -2.121 1.739 12.776 139 HA LYS 39 HA LYS 39 -1.962 3.726 14.825 140 HB2 LYS 39 HB2 LYS 39 0.157 2.673 15.387 141 HB3 LYS 39 HB3 LYS 39 -1.053 1.437 15.068 142 HG2 LYS 39 HG2 LYS 39 -0.125 1.113 12.832 143 HG3 LYS 39 HG3 LYS 39 1.092 2.347 13.163 144 HD2 LYS 39 HD2 LYS 39 2.086 0.185 13.508 145 HD3 LYS 39 HD3 LYS 39 1.877 0.966 15.078 146 HE2 LYS 39 HE2 LYS 39 0.057 -0.405 15.639 147 HE3 LYS 39 HE3 LYS 39 -0.166 -0.945 13.974 148 HZ1 LYS 39 HZ3 LYS 39 0.855 -2.676 15.284 149 HZ2 LYS 39 HZ1 LYS 39 2.110 -1.631 15.757 150 HZ3 LYS 39 HZ2 LYS 39 1.974 -2.104 14.134 151 H HIS 40 HN HIS 40 -1.383 3.945 11.580 152 HA HIS 40 HA HIS 40 0.761 5.939 11.921 153 HD1 HIS 40 HD1 HIS 40 1.966 2.075 9.761 154 HD2 HIS 40 HD2 HIS 40 2.912 5.102 12.435 155 HE1 HIS 40 HE1 HIS 40 3.926 1.217 11.074 156 HE2 HIS 40 HE2 HIS 40 4.348 2.988 12.820 157 HB2 HIS 40 HB2 HIS 40 0.331 3.945 9.689 158 HB3 HIS 40 HB3 HIS 40 1.392 5.342 9.523 159 H ASN 41 HN ASN 41 -1.804 6.648 12.262 160 HA ASN 41 HA ASN 41 -2.758 7.909 9.771 161 HB2 ASN 41 HB2 ASN 41 -4.901 7.967 10.806 162 HB3 ASN 41 HB3 ASN 41 -4.236 6.400 11.244 163 HD21 ASN 41 HD21 ASN 41 -5.414 9.388 12.376 164 HD22 ASN 41 HD22 ASN 41 -5.198 9.088 14.065 165 H HIS 42 HN HIS 42 -0.667 8.636 12.002 166 HA HIS 42 HA HIS 42 -1.846 11.112 13.037 167 HD1 HIS 42 HD1 HIS 42 1.852 9.950 12.526 168 HD2 HIS 42 HD2 HIS 42 0.507 7.662 15.715 169 HE1 HIS 42 HE1 HIS 42 3.605 8.185 12.863 170 HE2 HIS 42 HE2 HIS 42 2.882 6.963 14.948 171 HB2 HIS 42 HB2 HIS 42 -0.071 10.955 14.786 172 HB3 HIS 42 HB3 HIS 42 -1.178 9.589 14.769 173 H SER 43 HN SER 43 0.186 12.581 13.812 174 HA SER 43 HA SER 43 0.926 14.104 11.671 175 HG SER 43 HG SER 43 2.158 14.062 15.491 176 HB2 SER 43 HB2 SER 43 2.820 14.856 13.281 177 HB3 SER 43 HB3 SER 43 1.144 15.054 13.804 178 H LYS 44 HN LYS 44 3.027 11.773 13.340 179 HA LYS 44 HA LYS 44 5.276 12.336 11.733 180 HB2 LYS 44 HB2 LYS 44 4.670 10.140 13.693 181 HB3 LYS 44 HB3 LYS 44 6.221 10.279 12.880 182 HG2 LYS 44 HG2 LYS 44 6.438 12.570 13.797 183 HG3 LYS 44 HG3 LYS 44 4.945 12.310 14.693 184 HD2 LYS 44 HD2 LYS 44 5.948 10.526 15.956 185 HD3 LYS 44 HD3 LYS 44 7.414 10.599 14.968 186 HE2 LYS 44 HE2 LYS 44 7.748 12.937 15.746 187 HE3 LYS 44 HE3 LYS 44 6.367 12.743 16.818 188 HZ1 LYS 44 HZ3 LYS 44 8.697 10.925 16.950 189 HZ2 LYS 44 HZ1 LYS 44 7.509 11.205 18.129 190 HZ3 LYS 44 HZ2 LYS 44 8.669 12.396 17.789 191 H SER 45 HN SER 45 2.597 10.480 10.969 192 HA SER 45 HA SER 45 3.806 9.508 8.580 193 HG SER 45 HG SER 45 5.325 8.369 10.089 194 HB2 SER 45 HB2 SER 45 2.754 7.371 10.455 195 HB3 SER 45 HB3 SER 45 3.493 7.134 8.875 196 H THR 46 HN THR 46 2.234 9.820 7.081 197 HA THR 46 HA THR 46 -0.540 9.484 8.011 198 HB THR 46 HB THR 46 0.316 11.119 5.614 199 HG1 THR 46 HG1 THR 46 0.246 11.723 8.350 200 HG21 THR 46 HG23 THR 46 -2.033 10.366 5.660 201 HG22 THR 46 HG21 THR 46 -1.907 12.113 5.861 202 HG23 THR 46 HG22 THR 46 -2.226 11.083 7.257 203 H TRP 47 HN TRP 47 -0.729 7.300 7.591 204 HA TRP 47 HA TRP 47 -0.309 6.421 4.836 205 HD1 TRP 47 HD1 TRP 47 1.803 6.582 5.909 206 HE1 TRP 47 HE1 TRP 47 4.040 5.363 6.216 207 HE3 TRP 47 HE3 TRP 47 0.022 1.963 7.194 208 HZ2 TRP 47 HZ2 TRP 47 4.934 2.773 6.927 209 HZ3 TRP 47 HZ3 TRP 47 1.636 0.171 7.671 210 HH2 TRP 47 HH2 TRP 47 4.042 0.568 7.540 211 HB2 TRP 47 HB2 TRP 47 -0.925 4.897 7.364 212 HB3 TRP 47 HB3 TRP 47 -0.979 4.153 5.772 213 H LEU 48 HN LEU 48 -1.969 5.152 3.779 214 HA LEU 48 HA LEU 48 -4.644 5.252 4.808 215 HG LEU 48 HG LEU 48 -3.549 6.000 1.348 216 HB2 LEU 48 HB2 LEU 48 -5.649 6.370 2.885 217 HB3 LEU 48 HB3 LEU 48 -4.577 7.445 3.761 218 HD11 LEU 48 HD11 LEU 48 -5.628 6.924 0.578 219 HD12 LEU 48 HD12 LEU 48 -5.272 8.470 1.343 220 HD13 LEU 48 HD13 LEU 48 -4.302 7.921 -0.022 221 HD21 LEU 48 HD23 LEU 48 -2.015 7.307 2.770 222 HD22 LEU 48 HD21 LEU 48 -2.158 7.977 1.146 223 HD23 LEU 48 HD22 LEU 48 -3.003 8.741 2.492 224 H ILE 49 HN ILE 49 -6.163 4.335 2.953 225 HA ILE 49 HA ILE 49 -4.688 2.332 1.383 226 HB ILE 49 HB ILE 49 -7.264 1.824 2.893 227 HG12 ILE 49 HG12 ILE 49 -4.532 0.607 3.339 228 HG13 ILE 49 HG13 ILE 49 -5.194 1.921 4.308 229 HG21 ILE 49 HG21 ILE 49 -7.195 0.626 0.784 230 HG22 ILE 49 HG22 ILE 49 -5.587 0.004 1.168 231 HG23 ILE 49 HG23 ILE 49 -6.982 -0.501 2.126 232 HD11 ILE 49 HD13 ILE 49 -6.432 -0.800 4.013 233 HD12 ILE 49 HD11 ILE 49 -5.436 -0.274 5.371 234 HD13 ILE 49 HD12 ILE 49 -6.989 0.505 5.058 235 H LEU 50 HN LEU 50 -5.451 2.043 -0.686 236 HA LEU 50 HA LEU 50 -8.072 3.209 -1.339 237 HG LEU 50 HG LEU 50 -5.623 5.121 -1.576 238 HB2 LEU 50 HB2 LEU 50 -5.607 3.178 -3.086 239 HB3 LEU 50 HB3 LEU 50 -7.216 3.602 -3.649 240 HD11 LEU 50 HD11 LEU 50 -6.363 5.823 -4.416 241 HD12 LEU 50 HD12 LEU 50 -5.485 6.850 -3.280 242 HD13 LEU 50 HD13 LEU 50 -4.757 5.353 -3.859 243 HD21 LEU 50 HD23 LEU 50 -7.996 5.266 -1.111 244 HD22 LEU 50 HD21 LEU 50 -7.430 6.789 -1.793 245 HD23 LEU 50 HD22 LEU 50 -8.332 5.657 -2.801 246 H HIS 51 HN HIS 51 -8.994 1.215 -0.917 247 HA HIS 51 HA HIS 51 -10.141 -0.534 -1.778 248 HD1 HIS 51 HD1 HIS 51 -11.359 -0.936 -5.485 249 HD2 HIS 51 HD2 HIS 51 -9.926 2.361 -3.398 250 HE1 HIS 51 HE1 HIS 51 -12.971 0.932 -5.970 251 HE2 HIS 51 HE2 HIS 51 -12.236 2.814 -4.461 252 HB2 HIS 51 HB2 HIS 51 -8.272 -0.222 -4.120 253 HB3 HIS 51 HB3 HIS 51 -9.450 -1.531 -4.020 254 H HIS 52 HN HIS 52 -6.607 -1.005 -2.284 255 HA HIS 52 HA HIS 52 -6.823 -3.312 -0.462 256 HD1 HIS 52 HD1 HIS 52 -5.638 -3.708 -5.090 257 HD2 HIS 52 HD2 HIS 52 -8.710 -4.814 -2.507 258 HE1 HIS 52 HE1 HIS 52 -7.552 -4.383 -6.569 259 HE2 HIS 52 HE2 HIS 52 -9.453 -4.887 -4.993 260 HB2 HIS 52 HB2 HIS 52 -4.935 -3.589 -2.754 261 HB3 HIS 52 HB3 HIS 52 -5.689 -4.831 -1.789 262 H LYS 53 HN LYS 53 -4.997 -0.721 -1.857 263 HA LYS 53 HA LYS 53 -2.477 -1.777 -0.832 264 HB2 LYS 53 HB2 LYS 53 -2.838 0.573 -2.685 265 HB3 LYS 53 HB3 LYS 53 -1.398 -0.417 -2.456 266 HG2 LYS 53 HG2 LYS 53 -2.468 -2.295 -3.499 267 HG3 LYS 53 HG3 LYS 53 -3.993 -1.418 -3.621 268 HD2 LYS 53 HD2 LYS 53 -3.278 -1.012 -5.714 269 HD3 LYS 53 HD3 LYS 53 -2.349 0.269 -4.933 270 HE2 LYS 53 HE2 LYS 53 -0.878 -0.946 -6.368 271 HE3 LYS 53 HE3 LYS 53 -0.457 -1.331 -4.702 272 HZ1 LYS 53 HZ3 LYS 53 -1.981 -3.019 -6.610 273 HZ2 LYS 53 HZ1 LYS 53 -1.837 -3.382 -4.957 274 HZ3 LYS 53 HZ2 LYS 53 -0.457 -3.333 -5.946 275 H VAL 54 HN VAL 54 -1.270 -0.786 0.661 276 HA VAL 54 HA VAL 54 -2.396 1.516 2.038 277 HB VAL 54 HB VAL 54 -1.582 -0.291 3.419 278 HG11 VAL 54 HG11 VAL 54 1.097 0.117 2.113 279 HG12 VAL 54 HG12 VAL 54 0.783 -0.926 3.498 280 HG13 VAL 54 HG13 VAL 54 0.045 -1.286 1.939 281 HG21 VAL 54 HG23 VAL 54 0.009 0.923 4.852 282 HG22 VAL 54 HG21 VAL 54 0.228 2.110 3.565 283 HG23 VAL 54 HG22 VAL 54 -1.347 1.927 4.336 284 H TYR 55 HN TYR 55 -1.516 3.543 2.009 285 HA TYR 55 HA TYR 55 0.828 3.941 0.266 286 HD1 TYR 55 HD2 TYR 55 -2.657 3.476 -0.231 287 HD2 TYR 55 HD1 TYR 55 -0.119 6.020 -2.515 288 HE1 TYR 55 HE2 TYR 55 -3.571 2.525 -2.303 289 HE2 TYR 55 HE1 TYR 55 -1.030 5.068 -4.588 290 HH TYR 55 HH TYR 55 -3.799 2.987 -4.575 291 HB2 TYR 55 HB2 TYR 55 -1.568 5.738 0.658 292 HB3 TYR 55 HB3 TYR 55 -0.115 6.220 -0.202 293 H ASP 56 HN ASP 56 1.901 6.125 0.708 294 HA ASP 56 HA ASP 56 1.716 6.965 3.513 295 HB2 ASP 56 HB2 ASP 56 3.680 5.474 3.345 296 HB3 ASP 56 HB3 ASP 56 4.303 6.444 2.023 297 H LEU 57 HN LEU 57 1.604 9.181 3.685 298 HA LEU 57 HA LEU 57 2.510 10.708 1.332 299 HG LEU 57 HG LEU 57 -0.626 10.130 2.257 300 HB2 LEU 57 HB2 LEU 57 0.700 11.703 3.537 301 HB3 LEU 57 HB3 LEU 57 1.143 12.569 2.087 302 HD11 LEU 57 HD11 LEU 57 -1.681 12.222 2.940 303 HD12 LEU 57 HD12 LEU 57 -1.204 12.963 1.413 304 HD13 LEU 57 HD13 LEU 57 -2.351 11.621 1.424 305 HD21 LEU 57 HD23 LEU 57 0.206 11.665 -0.201 306 HD22 LEU 57 HD21 LEU 57 0.824 10.077 0.251 307 HD23 LEU 57 HD22 LEU 57 -0.886 10.281 -0.137 308 H THR 58 HN THR 58 2.113 11.390 4.759 309 HA THR 58 HA THR 58 3.433 12.118 6.411 310 HB THR 58 HB THR 58 5.663 10.887 4.819 311 HG1 THR 58 HG1 THR 58 4.617 9.102 5.290 312 HG21 THR 58 HG23 THR 58 6.758 10.618 7.018 313 HG22 THR 58 HG21 THR 58 5.442 11.520 7.770 314 HG23 THR 58 HG22 THR 58 6.510 12.315 6.615 315 H LYS 59 HN LYS 59 5.607 12.675 3.626 316 HA LYS 59 HA LYS 59 6.061 15.398 4.580 317 HB2 LYS 59 HB2 LYS 59 7.242 13.787 2.317 318 HB3 LYS 59 HB3 LYS 59 7.662 15.466 2.638 319 HG2 LYS 59 HG2 LYS 59 8.330 14.727 4.954 320 HG3 LYS 59 HG3 LYS 59 8.168 13.069 4.370 321 HD2 LYS 59 HD2 LYS 59 9.824 13.484 2.653 322 HD3 LYS 59 HD3 LYS 59 9.949 15.174 3.149 323 HE2 LYS 59 HE2 LYS 59 11.789 14.019 4.108 324 HE3 LYS 59 HE3 LYS 59 10.648 14.359 5.408 325 HZ1 LYS 59 HZ3 LYS 59 10.885 12.198 5.871 326 HZ2 LYS 59 HZ1 LYS 59 11.517 11.827 4.338 327 HZ3 LYS 59 HZ2 LYS 59 9.843 11.940 4.560 328 H PHE 60 HN PHE 60 4.273 13.645 2.308 329 HA PHE 60 HA PHE 60 4.082 15.539 0.224 330 HD1 PHE 60 HD2 PHE 60 4.239 14.341 -2.103 331 HD2 PHE 60 HD1 PHE 60 0.348 13.574 -0.557 332 HE1 PHE 60 HE2 PHE 60 3.278 14.739 -4.330 333 HE2 PHE 60 HE1 PHE 60 -0.618 13.975 -2.786 334 HZ PHE 60 HZ PHE 60 0.810 14.369 -4.687 335 HB2 PHE 60 HB2 PHE 60 3.785 13.036 0.088 336 HB3 PHE 60 HB3 PHE 60 2.202 13.263 0.813 337 H LEU 61 HN LEU 61 2.818 15.579 3.213 338 HA LEU 61 HA LEU 61 0.090 15.987 3.035 339 HG LEU 61 HG LEU 61 2.277 14.735 5.061 340 HB2 LEU 61 HB2 LEU 61 2.023 17.143 5.039 341 HB3 LEU 61 HB3 LEU 61 0.290 17.000 5.255 342 HD11 LEU 61 HD11 LEU 61 2.217 15.934 7.206 343 HD12 LEU 61 HD12 LEU 61 0.484 15.625 7.313 344 HD13 LEU 61 HD13 LEU 61 1.622 14.279 7.343 345 HD21 LEU 61 HD23 LEU 61 0.278 13.313 5.551 346 HD22 LEU 61 HD21 LEU 61 -0.730 14.711 5.178 347 HD23 LEU 61 HD22 LEU 61 0.306 14.016 3.934 348 H GLU 62 HN GLU 62 2.730 18.242 2.722 349 HA GLU 62 HA GLU 62 1.127 20.604 3.064 350 HB2 GLU 62 HB2 GLU 62 3.922 20.443 1.946 351 HB3 GLU 62 HB3 GLU 62 3.150 21.816 2.725 352 HG2 GLU 62 HG2 GLU 62 3.107 20.536 4.837 353 HG3 GLU 62 HG3 GLU 62 4.005 19.243 4.027 354 H GLU 63 HN GLU 63 2.407 18.720 0.483 355 HA GLU 63 HA GLU 63 2.238 20.819 -1.505 356 HB2 GLU 63 HB2 GLU 63 2.997 17.925 -1.887 357 HB3 GLU 63 HB3 GLU 63 3.421 19.291 -2.911 358 HG2 GLU 63 HG2 GLU 63 4.886 20.173 -1.244 359 HG3 GLU 63 HG3 GLU 63 4.356 18.969 -0.069 360 H HIS 64 HN HIS 64 0.523 18.019 -0.463 361 HA HIS 64 HA HIS 64 -0.965 17.528 -2.773 362 HD1 HIS 64 HD1 HIS 64 -3.880 16.099 0.503 363 HD2 HIS 64 HD2 HIS 64 -2.497 15.012 -3.314 364 HE1 HIS 64 HE1 HIS 64 -5.733 14.732 -0.593 365 HB2 HIS 64 HB3 HIS 64 -0.649 15.864 -1.019 366 HB3 HIS 64 HB2 HIS 64 -1.520 16.836 0.124 367 HA PRO 65 HA PRO 65 -3.639 21.140 -2.779 368 HB2 PRO 65 HB2 PRO 65 -5.463 19.206 -4.152 369 HB3 PRO 65 HB3 PRO 65 -4.971 20.831 -4.642 370 HG2 PRO 65 HG2 PRO 65 -3.890 18.731 -5.826 371 HG3 PRO 65 HG3 PRO 65 -2.878 20.115 -5.376 372 HD2 PRO 65 HD2 PRO 65 -3.163 17.456 -4.032 373 HD3 PRO 65 HD3 PRO 65 -1.703 18.433 -4.302 374 H GLY 66 HN GLY 66 -4.442 18.119 -1.377 375 HA2 GLY 66 HA1 GLY 66 -7.079 18.817 -0.439 376 HA3 GLY 66 HA2 GLY 66 -6.166 17.377 -0.023 377 H GLY 67 HN GLY 67 -4.654 20.419 0.354 378 HA2 GLY 67 HA1 GLY 67 -4.311 21.837 2.112 379 HA3 GLY 67 HA2 GLY 67 -5.646 21.057 2.944 380 H GLU 68 HN GLU 68 -5.265 19.294 4.233 381 HA GLU 68 HA GLU 68 -2.899 18.063 4.928 382 HB2 GLU 68 HB2 GLU 68 -2.082 20.401 5.333 383 HB3 GLU 68 HB3 GLU 68 -3.358 20.613 6.520 384 HG2 GLU 68 HG2 GLU 68 -1.581 18.307 6.949 385 HG3 GLU 68 HG3 GLU 68 -0.829 19.896 7.105 386 H GLU 69 HN GLU 69 -5.299 20.006 6.536 387 HA GLU 69 HA GLU 69 -5.702 18.503 8.813 388 HB2 GLU 69 HB2 GLU 69 -6.322 20.835 8.598 389 HB3 GLU 69 HB3 GLU 69 -7.541 20.442 7.394 390 HG2 GLU 69 HG2 GLU 69 -9.039 19.772 8.932 391 HG3 GLU 69 HG3 GLU 69 -7.805 19.084 9.989 392 H VAL 70 HN VAL 70 -7.385 18.318 5.722 393 HA VAL 70 HA VAL 70 -9.432 16.591 6.847 394 HB VAL 70 HB VAL 70 -9.225 17.448 3.962 395 HG11 VAL 70 HG11 VAL 70 -11.528 16.546 5.689 396 HG12 VAL 70 HG12 VAL 70 -11.708 17.213 4.065 397 HG13 VAL 70 HG13 VAL 70 -10.832 15.702 4.308 398 HG21 VAL 70 HG23 VAL 70 -9.111 19.449 5.358 399 HG22 VAL 70 HG21 VAL 70 -10.656 19.357 4.512 400 HG23 VAL 70 HG22 VAL 70 -10.562 18.936 6.222 401 H LEU 71 HN LEU 71 -6.397 16.085 5.781 402 HA LEU 71 HA LEU 71 -6.911 13.623 4.354 403 HG LEU 71 HG LEU 71 -5.285 16.008 3.449 404 HB2 LEU 71 HB2 LEU 71 -4.357 14.808 5.454 405 HB3 LEU 71 HB3 LEU 71 -4.437 13.316 4.533 406 HD11 LEU 71 HD11 LEU 71 -2.888 15.985 3.908 407 HD12 LEU 71 HD12 LEU 71 -2.725 14.455 3.041 408 HD13 LEU 71 HD13 LEU 71 -3.190 15.918 2.169 409 HD21 LEU 71 HD23 LEU 71 -6.353 13.995 2.468 410 HD22 LEU 71 HD21 LEU 71 -5.333 14.863 1.326 411 HD23 LEU 71 HD22 LEU 71 -4.753 13.376 2.075 412 H ARG 72 HN ARG 72 -6.002 14.746 7.497 413 HA ARG 72 HA ARG 72 -4.917 12.465 8.626 414 HE ARG 72 HE ARG 72 -6.130 16.130 11.378 415 HB2 ARG 72 HB2 ARG 72 -6.449 14.604 10.104 416 HB3 ARG 72 HB3 ARG 72 -5.158 13.588 10.733 417 HG2 ARG 72 HG2 ARG 72 -3.590 14.640 9.157 418 HG3 ARG 72 HG3 ARG 72 -4.885 15.701 8.606 419 HD2 ARG 72 HD2 ARG 72 -3.667 15.576 11.359 420 HD3 ARG 72 HD3 ARG 72 -3.543 16.890 10.191 421 HH11 ARG 72 HH12 ARG 72 -3.759 18.532 10.451 422 HH12 ARG 72 HH11 ARG 72 -4.619 19.845 11.209 423 HH21 ARG 72 HH22 ARG 72 -7.299 17.880 12.318 424 HH22 ARG 72 HH21 ARG 72 -6.672 19.492 12.178 425 H GLU 73 HN GLU 73 -8.241 13.350 8.229 426 HA GLU 73 HA GLU 73 -9.273 11.742 10.363 427 HB2 GLU 73 HB2 GLU 73 -10.282 13.886 9.547 428 HB3 GLU 73 HB3 GLU 73 -10.753 13.054 8.073 429 HG2 GLU 73 HG2 GLU 73 -12.255 11.641 9.251 430 HG3 GLU 73 HG3 GLU 73 -11.643 12.190 10.811 431 H GLN 74 HN GLN 74 -8.610 11.309 7.014 432 HA GLN 74 HA GLN 74 -10.199 8.859 6.801 433 HB2 GLN 74 HB2 GLN 74 -8.816 10.671 4.850 434 HB3 GLN 74 HB3 GLN 74 -9.198 9.027 4.381 435 HG2 GLN 74 HG2 GLN 74 -10.907 10.540 3.610 436 HG3 GLN 74 HG3 GLN 74 -11.562 9.436 4.821 437 HE21 GLN 74 HE21 GLN 74 -10.590 12.712 4.149 438 HE22 GLN 74 HE22 GLN 74 -11.410 13.437 5.480 439 H ALA 75 HN ALA 75 -7.045 9.968 7.356 440 HA ALA 75 HA ALA 75 -5.523 7.850 6.279 441 HB1 ALA 75 HB3 ALA 75 -4.571 10.039 6.822 442 HB2 ALA 75 HB1 ALA 75 -4.840 9.725 8.537 443 HB3 ALA 75 HB2 ALA 75 -3.701 8.735 7.630 444 H GLY 76 HN GLY 76 -4.736 6.012 7.186 445 HA2 GLY 76 HA1 GLY 76 -4.334 4.615 9.131 446 HA3 GLY 76 HA2 GLY 76 -5.809 5.271 9.831 447 H GLY 77 HN GLY 77 -7.190 5.080 7.182 448 HA2 GLY 77 HA1 GLY 77 -7.207 2.180 6.753 449 HA3 GLY 77 HA2 GLY 77 -8.726 2.968 7.177 450 H ASP 78 HN ASP 78 -9.602 2.316 5.129 451 HA ASP 78 HA ASP 78 -8.354 3.208 2.714 452 HB2 ASP 78 HB2 ASP 78 -10.017 1.226 3.049 453 HB3 ASP 78 HB3 ASP 78 -11.254 2.467 2.873 454 H ALA 79 HN ALA 79 -9.072 4.854 1.323 455 HA ALA 79 HA ALA 79 -10.809 6.859 2.596 456 HB1 ALA 79 HB3 ALA 79 -8.505 7.577 2.832 457 HB2 ALA 79 HB1 ALA 79 -8.254 7.409 1.092 458 HB3 ALA 79 HB2 ALA 79 -9.365 8.631 1.709 459 H THR 80 HN THR 80 -10.932 4.717 0.321 460 HA THR 80 HA THR 80 -11.322 5.990 -2.136 461 HB THR 80 HB THR 80 -11.256 3.521 -1.858 462 HG1 THR 80 HG1 THR 80 -13.709 4.336 -3.077 463 HG21 THR 80 HG23 THR 80 -12.694 3.353 0.138 464 HG22 THR 80 HG21 THR 80 -13.252 2.304 -1.167 465 HG23 THR 80 HG22 THR 80 -14.087 3.825 -0.835 466 H GLU 81 HN GLU 81 -13.202 6.064 0.712 467 HA GLU 81 HA GLU 81 -15.788 6.469 -0.141 468 HB2 GLU 81 HB2 GLU 81 -14.857 6.341 2.247 469 HB3 GLU 81 HB3 GLU 81 -14.458 8.042 2.086 470 HG2 GLU 81 HG2 GLU 81 -16.469 8.271 3.084 471 HG3 GLU 81 HG3 GLU 81 -17.025 8.169 1.411 472 H ASN 82 HN ASN 82 -13.356 8.967 0.496 473 HA ASN 82 HA ASN 82 -14.881 11.146 -0.441 474 HB2 ASN 82 HB2 ASN 82 -11.871 10.877 -0.246 475 HB3 ASN 82 HB3 ASN 82 -12.782 12.387 -0.318 476 HD21 ASN 82 HD21 ASN 82 -13.853 13.113 1.495 477 HD22 ASN 82 HD22 ASN 82 -13.683 12.376 3.051 478 H PHE 83 HN PHE 83 -12.603 8.991 -1.926 479 HA PHE 83 HA PHE 83 -12.240 10.268 -4.392 480 HD1 PHE 83 HD1 PHE 83 -9.900 9.221 -5.894 481 HD2 PHE 83 HD2 PHE 83 -12.810 6.155 -5.410 482 HE1 PHE 83 HE1 PHE 83 -9.437 8.423 -8.177 483 HE2 PHE 83 HE2 PHE 83 -12.358 5.356 -7.689 484 HZ PHE 83 HZ PHE 83 -10.668 6.487 -9.077 485 HB2 PHE 83 HB2 PHE 83 -10.730 8.539 -3.679 486 HB3 PHE 83 HB3 PHE 83 -12.027 7.364 -3.537 487 H GLU 84 HN GLU 84 -14.850 8.351 -3.129 488 HA GLU 84 HA GLU 84 -16.069 8.120 -5.801 489 HB2 GLU 84 HB2 GLU 84 -17.167 6.160 -5.022 490 HB3 GLU 84 HB3 GLU 84 -15.509 6.055 -4.454 491 HG2 GLU 84 HG2 GLU 84 -16.203 6.790 -2.244 492 HG3 GLU 84 HG3 GLU 84 -17.876 6.855 -2.799 493 H ASP 85 HN ASP 85 -16.261 9.894 -3.016 494 HA ASP 85 HA ASP 85 -19.174 10.253 -3.002 495 HB2 ASP 85 HB2 ASP 85 -18.001 9.825 -0.859 496 HB3 ASP 85 HB3 ASP 85 -17.060 11.291 -1.093 497 H VAL 86 HN VAL 86 -16.166 12.141 -3.319 498 HA VAL 86 HA VAL 86 -17.776 14.271 -4.565 499 HB VAL 86 HB VAL 86 -16.137 15.958 -3.689 500 HG11 VAL 86 HG11 VAL 86 -17.669 14.426 -1.586 501 HG12 VAL 86 HG12 VAL 86 -17.139 16.107 -1.479 502 HG13 VAL 86 HG13 VAL 86 -18.348 15.637 -2.675 503 HG21 VAL 86 HG23 VAL 86 -15.260 13.671 -1.927 504 HG22 VAL 86 HG21 VAL 86 -14.287 14.477 -3.157 505 HG23 VAL 86 HG22 VAL 86 -14.799 15.361 -1.721 506 H GLY 87 HN GLY 87 -14.960 12.267 -4.734 507 HA2 GLY 87 HA1 GLY 87 -14.385 11.678 -7.018 508 HA3 GLY 87 HA2 GLY 87 -14.555 13.372 -7.435 509 H HIS 88 HN HIS 88 -12.443 12.667 -8.403 510 HA HIS 88 HA HIS 88 -10.258 13.757 -6.895 511 HD1 HIS 88 HD1 HIS 88 -7.453 10.153 -7.254 512 HD2 HIS 88 HD2 HIS 88 -8.675 13.487 -5.068 513 HE1 HIS 88 HE1 HIS 88 -5.466 10.845 -5.824 514 HB2 HIS 88 HB2 HIS 88 -10.532 11.162 -6.345 515 HB3 HIS 88 HB3 HIS 88 -9.770 10.968 -7.916 516 H SER 89 HN SER 89 -8.235 12.649 -8.702 517 HA SER 89 HA SER 89 -9.366 13.074 -11.342 518 HG SER 89 HG SER 89 -6.602 15.252 -12.271 519 HB2 SER 89 HB2 SER 89 -8.592 15.256 -10.821 520 HB3 SER 89 HB3 SER 89 -7.064 14.609 -10.261 521 H THR 90 HN THR 90 -8.327 12.004 -13.014 522 HA THR 90 HA THR 90 -7.049 9.607 -12.355 523 HB THR 90 HB THR 90 -6.904 10.954 -15.055 524 HG1 THR 90 HG1 THR 90 -8.934 9.695 -15.347 525 HG21 THR 90 HG23 THR 90 -6.913 8.071 -14.152 526 HG22 THR 90 HG21 THR 90 -5.585 8.944 -14.916 527 HG23 THR 90 HG22 THR 90 -7.045 8.586 -15.835 528 H ASP 91 HN ASP 91 -5.723 12.746 -13.119 529 HA ASP 91 HA ASP 91 -3.091 12.331 -13.736 530 HB2 ASP 91 HB2 ASP 91 -4.180 14.537 -13.437 531 HB3 ASP 91 HB3 ASP 91 -4.206 14.287 -11.697 532 H ALA 92 HN ALA 92 -4.626 12.069 -10.608 533 HA ALA 92 HA ALA 92 -2.210 11.768 -9.117 534 HB1 ALA 92 HB3 ALA 92 -3.658 11.550 -7.218 535 HB2 ALA 92 HB1 ALA 92 -4.249 12.846 -8.257 536 HB3 ALA 92 HB2 ALA 92 -5.049 11.276 -8.266 537 H ARG 93 HN ARG 93 -3.804 9.608 -11.060 538 HA ARG 93 HA ARG 93 -3.466 7.273 -9.360 539 HE ARG 93 HE ARG 93 -5.759 5.082 -12.073 540 HB2 ARG 93 HB2 ARG 93 -4.325 7.575 -12.242 541 HB3 ARG 93 HB3 ARG 93 -4.283 6.047 -11.380 542 HG2 ARG 93 HG2 ARG 93 -5.971 6.835 -9.842 543 HG3 ARG 93 HG3 ARG 93 -5.970 8.418 -10.623 544 HD2 ARG 93 HD2 ARG 93 -7.835 7.005 -11.366 545 HD3 ARG 93 HD3 ARG 93 -6.761 7.440 -12.687 546 HH11 ARG 93 HH12 ARG 93 -9.128 6.027 -12.300 547 HH12 ARG 93 HH11 ARG 93 -9.675 4.436 -12.741 548 HH21 ARG 93 HH22 ARG 93 -6.472 3.002 -12.667 549 HH22 ARG 93 HH21 ARG 93 -8.167 2.720 -12.946 550 H GLU 94 HN GLU 94 -1.589 9.142 -11.358 551 HA GLU 94 HA GLU 94 0.182 6.965 -12.265 552 HB2 GLU 94 HB2 GLU 94 -0.732 8.352 -14.053 553 HB3 GLU 94 HB3 GLU 94 -0.231 9.812 -13.228 554 HG2 GLU 94 HG2 GLU 94 1.253 9.437 -15.038 555 HG3 GLU 94 HG3 GLU 94 2.127 9.127 -13.544 556 H MET 95 HN MET 95 -0.146 9.867 -10.478 557 HA MET 95 HA MET 95 2.607 10.360 -9.900 558 HB2 MET 95 HB2 MET 95 0.822 12.099 -9.916 559 HB3 MET 95 HB3 MET 95 0.105 11.336 -8.508 560 HG2 MET 95 HG2 MET 95 1.299 13.046 -7.554 561 HG3 MET 95 HG3 MET 95 2.434 11.704 -7.434 562 HE1 MET 95 HE3 MET 95 2.698 14.980 -10.676 563 HE2 MET 95 HE1 MET 95 1.501 13.686 -10.706 564 HE3 MET 95 HE2 MET 95 1.435 14.919 -9.448 565 H SER 96 HN SER 96 0.066 8.435 -8.536 566 HA SER 96 HA SER 96 1.071 8.654 -5.849 567 HG SER 96 HG SER 96 -2.111 7.515 -7.655 568 HB2 SER 96 HB2 SER 96 -0.903 7.306 -5.245 569 HB3 SER 96 HB3 SER 96 -1.313 8.745 -6.171 570 H LYS 97 HN LYS 97 1.721 6.658 -8.386 571 HA LYS 97 HA LYS 97 1.587 4.066 -7.409 572 HB2 LYS 97 HB2 LYS 97 3.648 5.180 -9.325 573 HB3 LYS 97 HB3 LYS 97 3.201 3.488 -9.147 574 HG2 LYS 97 HG2 LYS 97 0.935 4.013 -9.923 575 HG3 LYS 97 HG3 LYS 97 1.406 5.702 -10.119 576 HD2 LYS 97 HD2 LYS 97 2.477 3.314 -11.617 577 HD3 LYS 97 HD3 LYS 97 1.524 4.652 -12.264 578 HE2 LYS 97 HE2 LYS 97 3.394 6.184 -11.607 579 HE3 LYS 97 HE3 LYS 97 4.343 4.758 -11.202 580 HZ1 LYS 97 HZ3 LYS 97 4.887 5.489 -13.402 581 HZ2 LYS 97 HZ1 LYS 97 3.256 5.463 -13.870 582 HZ3 LYS 97 HZ2 LYS 97 4.073 4.012 -13.513 583 H THR 98 HN THR 98 4.096 6.502 -7.035 584 HA THR 98 HA THR 98 6.052 4.664 -6.013 585 HB THR 98 HB THR 98 6.507 7.513 -5.514 586 HG1 THR 98 HG1 THR 98 5.960 8.234 -7.431 587 HG21 THR 98 HG23 THR 98 7.941 5.460 -7.216 588 HG22 THR 98 HG21 THR 98 8.310 5.844 -5.534 589 HG23 THR 98 HG22 THR 98 8.558 7.055 -6.791 590 H PHE 99 HN PHE 99 3.349 5.822 -4.661 591 HA PHE 99 HA PHE 99 4.478 6.171 -1.972 592 HD1 PHE 99 HD1 PHE 99 4.284 8.611 -1.004 593 HD2 PHE 99 HD2 PHE 99 2.130 8.536 -4.670 594 HE1 PHE 99 HE1 PHE 99 5.193 10.823 -1.577 595 HE2 PHE 99 HE2 PHE 99 3.038 10.744 -5.253 596 HZ PHE 99 HZ PHE 99 4.576 11.891 -3.700 597 HB2 PHE 99 HB2 PHE 99 1.766 6.879 -3.110 598 HB3 PHE 99 HB3 PHE 99 2.230 7.118 -1.429 599 H ILE 100 HN ILE 100 3.117 3.842 -3.931 600 HA ILE 100 HA ILE 100 1.377 2.616 -1.980 601 HB ILE 100 HB ILE 100 2.409 1.302 -4.491 602 HG12 ILE 100 HG12 ILE 100 -0.053 3.030 -4.172 603 HG13 ILE 100 HG13 ILE 100 1.390 3.466 -5.083 604 HG21 ILE 100 HG21 ILE 100 -0.042 0.871 -2.807 605 HG22 ILE 100 HG22 ILE 100 0.361 -0.012 -4.278 606 HG23 ILE 100 HG23 ILE 100 1.392 -0.155 -2.855 607 HD11 ILE 100 HD13 ILE 100 -0.437 2.731 -6.528 608 HD12 ILE 100 HD11 ILE 100 0.966 1.669 -6.656 609 HD13 ILE 100 HD12 ILE 100 -0.444 1.163 -5.721 610 H ILE 101 HN ILE 101 2.558 1.963 -0.216 611 HA ILE 101 HA ILE 101 5.205 0.854 -0.562 612 HB ILE 101 HB ILE 101 5.204 0.738 1.932 613 HG12 ILE 101 HG12 ILE 101 2.487 2.016 1.593 614 HG13 ILE 101 HG13 ILE 101 2.811 0.427 2.278 615 HG21 ILE 101 HG21 ILE 101 5.277 3.174 2.267 616 HG22 ILE 101 HG22 ILE 101 6.101 2.682 0.788 617 HG23 ILE 101 HG23 ILE 101 4.496 3.401 0.706 618 HD11 ILE 101 HD13 ILE 101 3.989 1.448 4.127 619 HD12 ILE 101 HD11 ILE 101 3.711 3.044 3.437 620 HD13 ILE 101 HD12 ILE 101 2.349 2.076 3.997 621 H GLY 102 HN GLY 102 2.027 -0.385 -0.252 622 HA2 GLY 102 HA1 GLY 102 2.708 -2.968 -0.926 623 HA3 GLY 102 HA2 GLY 102 2.704 -2.938 0.832 624 H GLU 103 HN GLU 103 0.925 -4.511 0.607 625 HA GLU 103 HA GLU 103 -1.592 -3.016 0.383 626 HB2 GLU 103 HB2 GLU 103 -1.101 -5.829 -0.584 627 HB3 GLU 103 HB3 GLU 103 -2.704 -5.137 -0.373 628 HG2 GLU 103 HG2 GLU 103 -1.915 -3.277 -1.932 629 HG3 GLU 103 HG3 GLU 103 -0.566 -4.343 -2.317 630 H LEU 104 HN LEU 104 -3.283 -5.076 1.236 631 HA LEU 104 HA LEU 104 -2.743 -4.710 4.074 632 HG LEU 104 HG LEU 104 -5.534 -5.519 5.223 633 HB2 LEU 104 HB2 LEU 104 -4.845 -4.003 2.725 634 HB3 LEU 104 HB3 LEU 104 -5.296 -5.685 2.876 635 HD11 LEU 104 HD11 LEU 104 -4.258 -2.791 5.038 636 HD12 LEU 104 HD12 LEU 104 -4.885 -3.545 6.501 637 HD13 LEU 104 HD13 LEU 104 -3.492 -4.244 5.676 638 HD21 LEU 104 HD23 LEU 104 -7.386 -4.572 4.017 639 HD22 LEU 104 HD21 LEU 104 -7.091 -3.592 5.457 640 HD23 LEU 104 HD22 LEU 104 -6.557 -3.024 3.874 641 H HIS 105 HN HIS 105 -3.558 -6.514 5.580 642 HA HIS 105 HA HIS 105 -2.082 -8.877 5.027 643 HD1 HIS 105 HD1 HIS 105 -3.802 -11.134 8.175 644 HD2 HIS 105 HD2 HIS 105 -0.271 -9.210 7.078 645 HE1 HIS 105 HE1 HIS 105 -1.936 -12.625 8.961 646 HE2 HIS 105 HE2 HIS 105 0.188 -11.498 8.200 647 HB2 HIS 105 HB2 HIS 105 -2.916 -7.771 7.321 648 HB3 HIS 105 HB3 HIS 105 -4.224 -8.933 7.097 649 HA PRO 106 HA PRO 106 -4.687 -11.694 2.783 650 HB2 PRO 106 HB2 PRO 106 -4.377 -13.273 5.311 651 HB3 PRO 106 HB3 PRO 106 -4.318 -13.835 3.635 652 HG2 PRO 106 HG2 PRO 106 -2.078 -13.358 5.015 653 HG3 PRO 106 HG3 PRO 106 -2.197 -13.003 3.285 654 HD2 PRO 106 HD2 PRO 106 -2.035 -11.152 5.558 655 HD3 PRO 106 HD3 PRO 106 -1.729 -10.854 3.838 656 H ASP 107 HN ASP 107 -5.483 -11.127 6.151 657 HA ASP 107 HA ASP 107 -8.169 -12.161 5.945 658 HB2 ASP 107 HB2 ASP 107 -6.897 -10.597 8.209 659 HB3 ASP 107 HB3 ASP 107 -8.302 -11.655 8.310 660 H ASP 108 HN ASP 108 -6.504 -9.121 6.061 661 HA ASP 108 HA ASP 108 -8.907 -7.537 6.441 662 HB2 ASP 108 HB2 ASP 108 -6.005 -6.749 6.146 663 HB3 ASP 108 HB3 ASP 108 -7.312 -5.659 6.597 664 H ARG 109 HN ARG 109 -6.691 -8.460 3.977 665 HA ARG 109 HA ARG 109 -6.674 -6.289 2.266 666 HE ARG 109 HE ARG 109 -3.988 -7.397 -1.821 667 HB2 ARG 109 HB2 ARG 109 -5.243 -8.419 2.237 668 HB3 ARG 109 HB3 ARG 109 -6.548 -9.144 1.312 669 HG2 ARG 109 HG2 ARG 109 -6.143 -6.905 -0.122 670 HG3 ARG 109 HG3 ARG 109 -4.517 -7.175 0.510 671 HD2 ARG 109 HD2 ARG 109 -4.642 -9.511 -0.309 672 HD3 ARG 109 HD3 ARG 109 -6.190 -9.126 -1.056 673 HH11 ARG 109 HH12 ARG 109 -5.779 -10.315 -2.607 674 HH12 ARG 109 HH11 ARG 109 -5.356 -10.264 -4.293 675 HH21 ARG 109 HH22 ARG 109 -3.402 -7.348 -3.980 676 HH22 ARG 109 HH21 ARG 109 -3.995 -8.569 -5.075 677 HA PRO 110 HA PRO 110 -10.490 -7.732 0.003 678 HB2 PRO 110 HB2 PRO 110 -11.354 -10.270 0.048 679 HB3 PRO 110 HB3 PRO 110 -9.947 -9.771 -0.896 680 HG2 PRO 110 HG2 PRO 110 -10.074 -11.399 1.542 681 HG3 PRO 110 HG3 PRO 110 -8.762 -11.243 0.362 682 HD2 PRO 110 HD2 PRO 110 -9.073 -9.916 2.932 683 HD3 PRO 110 HD3 PRO 110 -7.671 -9.921 1.845 684 H LYS 111 HN LYS 111 -10.401 -8.815 3.286 685 HA LYS 111 HA LYS 111 -11.914 -8.842 4.975 686 HB2 LYS 111 HB2 LYS 111 -13.447 -7.130 3.027 687 HB3 LYS 111 HB3 LYS 111 -14.065 -7.516 4.628 688 HG2 LYS 111 HG2 LYS 111 -12.627 -6.120 5.668 689 HG3 LYS 111 HG3 LYS 111 -11.330 -6.416 4.508 690 HD2 LYS 111 HD2 LYS 111 -12.210 -4.108 4.400 691 HD3 LYS 111 HD3 LYS 111 -12.380 -4.985 2.884 692 HE2 LYS 111 HE2 LYS 111 -14.405 -3.792 3.234 693 HE3 LYS 111 HE3 LYS 111 -14.748 -5.490 3.552 694 HZ1 LYS 111 HZ3 LYS 111 -14.277 -3.377 5.586 695 HZ2 LYS 111 HZ1 LYS 111 -14.521 -5.018 5.939 696 HZ3 LYS 111 HZ2 LYS 111 -15.760 -4.112 5.221 697 H LEU 112 HN LEU 112 -14.195 -8.901 2.256 698 HA LEU 112 HA LEU 112 -15.461 -11.269 3.400 699 HG LEU 112 HG LEU 112 -17.432 -11.602 0.929 700 HB2 LEU 112 HB2 LEU 112 -16.853 -9.331 2.832 701 HB3 LEU 112 HB3 LEU 112 -16.315 -9.419 1.170 702 HD11 LEU 112 HD11 LEU 112 -17.300 -12.312 3.278 703 HD12 LEU 112 HD12 LEU 112 -18.488 -11.082 3.703 704 HD13 LEU 112 HD13 LEU 112 -18.941 -12.413 2.642 705 HD21 LEU 112 HD23 LEU 112 -18.593 -9.529 0.328 706 HD22 LEU 112 HD21 LEU 112 -19.711 -10.757 0.920 707 HD23 LEU 112 HD22 LEU 112 -19.235 -9.419 1.967 708 H ASN 113 HN ASN 113 -14.506 -10.181 0.115 709 HA ASN 113 HA ASN 113 -13.501 -12.845 -0.452 710 HB2 ASN 113 HB2 ASN 113 -15.942 -12.896 -1.047 711 HB3 ASN 113 HB3 ASN 113 -15.626 -11.633 -2.235 712 HD21 ASN 113 HD21 ASN 113 -13.553 -14.340 -1.402 713 HD22 ASN 113 HD22 ASN 113 -13.625 -15.107 -2.951 714 H LYS 114 HN LYS 114 -12.342 -12.904 -2.591 715 HA LYS 114 HA LYS 114 -11.410 -10.223 -3.355 716 HB2 LYS 114 HB2 LYS 114 -9.103 -11.140 -3.513 717 HB3 LYS 114 HB3 LYS 114 -9.735 -11.126 -1.873 718 HG2 LYS 114 HG2 LYS 114 -10.319 -13.533 -2.154 719 HG3 LYS 114 HG3 LYS 114 -9.470 -13.495 -3.701 720 HD2 LYS 114 HD2 LYS 114 -7.413 -12.858 -2.580 721 HD3 LYS 114 HD3 LYS 114 -8.252 -12.804 -1.030 722 HE2 LYS 114 HE2 LYS 114 -8.809 -15.216 -1.337 723 HE3 LYS 114 HE3 LYS 114 -7.769 -15.218 -2.760 724 HZ1 LYS 114 HZ3 LYS 114 -6.957 -14.669 0.042 725 HZ2 LYS 114 HZ1 LYS 114 -5.932 -14.480 -1.297 726 HZ3 LYS 114 HZ2 LYS 114 -6.529 -16.017 -0.900 727 HA PRO 115 HA PRO 115 -11.856 -11.736 -7.537 728 HB2 PRO 115 HB2 PRO 115 -9.778 -9.865 -8.370 729 HB3 PRO 115 HB3 PRO 115 -11.504 -9.841 -8.739 730 HG2 PRO 115 HG2 PRO 115 -10.340 -8.019 -7.116 731 HG3 PRO 115 HG3 PRO 115 -12.014 -8.563 -6.899 732 HD2 PRO 115 HD2 PRO 115 -9.538 -9.405 -5.427 733 HD3 PRO 115 HD3 PRO 115 -11.160 -9.053 -4.792 734 HA PRO 116 HA PRO 116 -8.616 -14.835 -7.469 735 HB2 PRO 116 HB2 PRO 116 -9.233 -15.627 -10.111 736 HB3 PRO 116 HB3 PRO 116 -9.830 -16.354 -8.618 737 HG2 PRO 116 HG2 PRO 116 -11.133 -14.375 -10.418 738 HG3 PRO 116 HG3 PRO 116 -11.859 -15.654 -9.429 739 HD2 PRO 116 HD2 PRO 116 -12.018 -13.081 -8.708 740 HD3 PRO 116 HD3 PRO 116 -11.813 -14.372 -7.500 741 H GLU 117 HN GLU 117 -9.140 -13.217 -10.591 742 HA GLU 117 HA GLU 117 -6.623 -11.934 -10.634 743 HB2 GLU 117 HB2 GLU 117 -5.731 -14.148 -10.976 744 HB3 GLU 117 HB3 GLU 117 -6.898 -14.480 -12.242 745 HG2 GLU 117 HG2 GLU 117 -5.849 -12.798 -13.660 746 HG3 GLU 117 HG3 GLU 117 -4.691 -12.439 -12.382 747 H THR 118 HN THR 118 -8.473 -13.559 -13.216 748 HA THR 118 HA THR 118 -9.375 -10.932 -14.161 749 HB THR 118 HB THR 118 -8.242 -13.000 -16.050 750 HG1 THR 118 HG1 THR 118 -6.806 -11.732 -14.348 751 HG21 THR 118 HG23 THR 118 -8.174 -11.179 -17.635 752 HG22 THR 118 HG21 THR 118 -8.687 -10.032 -16.393 753 HG23 THR 118 HG22 THR 118 -9.799 -11.278 -16.956 754 H LEU 119 HN LEU 119 -11.248 -11.053 -15.546 755 HA LEU 119 HA LEU 119 -12.707 -13.595 -15.295 756 HG LEU 119 HG LEU 119 -14.251 -13.295 -13.458 757 HB2 LEU 119 HB2 LEU 119 -13.623 -10.765 -14.978 758 HB3 LEU 119 HB3 LEU 119 -14.753 -11.971 -15.549 759 HD11 LEU 119 HD11 LEU 119 -13.233 -12.204 -11.582 760 HD12 LEU 119 HD12 LEU 119 -12.102 -12.162 -12.933 761 HD13 LEU 119 HD13 LEU 119 -13.016 -10.714 -12.504 762 HD21 LEU 119 HD23 LEU 119 -15.389 -10.546 -13.001 763 HD22 LEU 119 HD21 LEU 119 -16.249 -11.859 -13.804 764 HD23 LEU 119 HD22 LEU 119 -15.767 -12.022 -12.113 765 H ILE 120 HN ILE 120 -14.815 -13.105 -16.994 766 HA ILE 120 HA ILE 120 -13.582 -13.637 -19.502 767 HB ILE 120 HB ILE 120 -16.491 -13.015 -18.947 768 HG12 ILE 120 HG12 ILE 120 -15.063 -15.676 -19.008 769 HG13 ILE 120 HG13 ILE 120 -15.677 -14.871 -17.565 770 HG21 ILE 120 HG21 ILE 120 -15.262 -14.555 -21.230 771 HG22 ILE 120 HG22 ILE 120 -16.978 -14.261 -20.965 772 HG23 ILE 120 HG23 ILE 120 -15.904 -12.912 -21.336 773 HD11 ILE 120 HD13 ILE 120 -17.190 -16.619 -18.264 774 HD12 ILE 120 HD11 ILE 120 -17.953 -15.043 -18.467 775 HD13 ILE 120 HD12 ILE 120 -17.316 -15.901 -19.870 776 H THR 121 HN THR 121 -14.449 -10.741 -17.967 777 HA THR 121 HA THR 121 -15.668 -9.047 -19.605 778 HB THR 121 HB THR 121 -13.946 -7.263 -18.766 779 HG1 THR 121 HG1 THR 121 -12.463 -9.109 -18.208 780 HG21 THR 121 HG23 THR 121 -16.183 -7.496 -17.860 781 HG22 THR 121 HG21 THR 121 -15.024 -7.296 -16.542 782 HG23 THR 121 HG22 THR 121 -15.677 -8.893 -16.910 783 H THR 122 HN THR 122 -15.492 -9.201 -21.717 784 HA THR 122 HA THR 122 -14.921 -8.703 -23.797 785 HB THR 122 HB THR 122 -14.428 -6.452 -22.667 786 HG1 THR 122 HG1 THR 122 -12.940 -6.732 -25.041 787 HG21 THR 122 HG23 THR 122 -12.237 -6.993 -21.705 788 HG22 THR 122 HG21 THR 122 -12.133 -5.647 -22.841 789 HG23 THR 122 HG22 THR 122 -11.596 -7.254 -23.328 790 H ILE 123 HN ILE 123 -13.886 -9.644 -25.380 791 HA ILE 123 HA ILE 123 -11.411 -11.072 -24.811 792 HB ILE 123 HB ILE 123 -13.098 -11.077 -27.330 793 HG12 ILE 123 HG12 ILE 123 -12.847 -13.155 -25.142 794 HG13 ILE 123 HG13 ILE 123 -14.219 -12.069 -25.352 795 HG21 ILE 123 HG21 ILE 123 -11.751 -13.094 -27.900 796 HG22 ILE 123 HG22 ILE 123 -10.809 -11.606 -27.855 797 HG23 ILE 123 HG23 ILE 123 -10.718 -12.748 -26.516 798 HD11 ILE 123 HD13 ILE 123 -14.628 -14.334 -26.219 799 HD12 ILE 123 HD11 ILE 123 -14.747 -13.096 -27.468 800 HD13 ILE 123 HD12 ILE 123 -13.311 -14.111 -27.368 801 H ASP 124 HN ASP 124 -9.523 -10.216 -25.271 802 HA ASP 124 HA ASP 124 -7.905 -8.809 -26.005 803 HB2 ASP 124 HB2 ASP 124 -8.900 -9.527 -28.291 804 HB3 ASP 124 HB3 ASP 124 -9.679 -7.953 -28.290 805 H SER 125 HN SER 125 -8.645 -6.194 -27.457 806 HA SER 125 HA SER 125 -9.233 -4.745 -25.022 807 HG SER 125 HG SER 125 -6.626 -3.532 -27.215 808 HB2 SER 125 HB2 SER 125 -8.731 -3.684 -27.812 809 HB3 SER 125 HB3 SER 125 -8.736 -2.743 -26.320 810 H SER 126 HN SER 126 -10.643 -2.586 -25.743 811 HA SER 126 HA SER 126 -13.090 -3.516 -27.055 812 HG SER 126 HG SER 126 -15.182 -3.158 -25.892 813 HB2 SER 126 HB2 SER 126 -13.372 -3.702 -24.581 814 HB3 SER 126 HB3 SER 126 -13.042 -1.975 -24.445 815 H SER 127 HN SER 127 -12.367 -0.504 -25.315 816 HA SER 127 HA SER 127 -11.837 0.853 -27.838 817 HG SER 127 HG SER 127 -12.700 3.379 -27.248 818 HB2 SER 127 HB2 SER 127 -14.293 1.050 -27.472 819 HB3 SER 127 HB3 SER 127 -13.979 1.826 -25.921 820 H SER 128 HN SER 128 -10.724 0.111 -25.010 821 HA SER 128 HA SER 128 -8.896 2.209 -24.742 822 HG SER 128 HG SER 128 -9.755 3.485 -21.545 823 HB2 SER 128 HB2 SER 128 -10.927 3.397 -23.853 824 HB3 SER 128 HB3 SER 128 -11.030 2.182 -22.586 825 HHA HEM 129 HHA HEM 129 -5.914 17.307 -6.041 826 HHB HEM 129 HHB HEM 129 -1.650 12.459 -5.934 827 HHC HEM 129 HHC HEM 129 -4.942 9.720 -1.207 828 HHD HEM 129 HHD HEM 129 -9.157 14.597 -1.179 829 HAB HEM 129 HAB HEM 129 -1.837 9.060 -1.190 830 HAC HEM 129 HAC HEM 129 -9.856 13.053 0.444 831 HMA1 HEM 129 HMA1 HEM 129 -1.673 15.384 -8.536 832 HMA2 HEM 129 HMA2 HEM 129 -0.756 14.734 -7.176 833 HMA3 HEM 129 HMA3 HEM 129 -1.677 13.652 -8.228 834 HAA1 HEM 129 HAA1 HEM 129 -3.117 17.622 -7.874 835 HAA2 HEM 129 HAA2 HEM 129 -3.431 16.356 -8.613 836 HBA1 HEM 129 HBA1 HEM 129 -5.027 18.036 -9.328 837 HBA2 HEM 129 HBA2 HEM 129 -6.063 16.982 -8.344 838 HMB1 HEM 129 HMB1 HEM 129 0.169 10.952 -3.632 839 HMB2 HEM 129 HMB2 HEM 129 -0.516 9.971 -5.086 840 HMB3 HEM 129 HMB3 HEM 129 -0.631 9.690 -3.592 841 HBB1 HEM 129 HBB1 HEM 129 -3.606 7.707 -3.268 842 HBB2 HEM 129 HBB2 HEM 129 -2.721 6.928 -1.817 843 HMC1 HEM 129 HMC1 HEM 129 -6.937 9.481 0.788 844 HMC2 HEM 129 HMC2 HEM 129 -8.549 9.507 0.066 845 HMC3 HEM 129 HMC3 HEM 129 -7.125 8.908 -0.855 846 HBC1 HEM 129 HBC1 HEM 129 -9.880 11.838 2.479 847 HBC2 HEM 129 HBC2 HEM 129 -8.325 10.940 2.033 848 HMD1 HEM 129 HMD1 HEM 129 -10.318 16.316 -1.705 849 HMD2 HEM 129 HMD2 HEM 129 -10.453 17.691 -2.970 850 HMD3 HEM 129 HMD3 HEM 129 -9.363 17.474 -1.946 851 HAD1 HEM 129 HAD1 HEM 129 -8.253 18.264 -5.972 852 HAD2 HEM 129 HAD2 HEM 129 -9.246 18.031 -4.857 853 HBD1 HEM 129 HBD1 HEM 129 -8.050 20.422 -4.713 854 HBD2 HEM 129 HBD2 HEM 129 -8.148 19.576 -3.158 Start of MODEL 8 1 HA MET 21 HA MET 21 9.968 -20.259 10.315 2 H1 MET 21 1H MET 21 11.855 -19.377 8.413 3 HB2 MET 21 HB2 MET 21 10.103 -17.860 8.520 4 HB3 MET 21 HB3 MET 21 8.693 -18.155 9.526 5 HG2 MET 21 HG2 MET 21 10.149 -18.154 11.516 6 HG3 MET 21 HG3 MET 21 11.523 -17.774 10.481 7 HE1 MET 21 HE3 MET 21 10.779 -14.433 12.478 8 HE2 MET 21 HE1 MET 21 10.682 -16.104 13.037 9 HE3 MET 21 HE2 MET 21 12.041 -15.586 12.041 10 H ALA 22 HN ALA 22 8.735 -18.808 7.379 11 HA ALA 22 HA ALA 22 7.635 -21.305 6.402 12 HB1 ALA 22 HB3 ALA 22 5.312 -20.556 6.438 13 HB2 ALA 22 HB1 ALA 22 5.966 -20.594 8.074 14 HB3 ALA 22 HB2 ALA 22 5.793 -19.054 7.234 15 H GLU 23 HN GLU 23 7.343 -17.779 6.150 16 HA GLU 23 HA GLU 23 7.140 -17.900 3.264 17 HB2 GLU 23 HB2 GLU 23 7.572 -15.341 4.757 18 HB3 GLU 23 HB3 GLU 23 6.585 -15.640 3.335 19 HG2 GLU 23 HG2 GLU 23 5.021 -15.228 4.984 20 HG3 GLU 23 HG3 GLU 23 5.075 -16.987 4.926 21 H GLN 24 HN GLN 24 9.551 -17.831 5.589 22 HA GLN 24 HA GLN 24 11.805 -17.593 5.568 23 HB2 GLN 24 HB2 GLN 24 11.804 -18.690 3.358 24 HB3 GLN 24 HB3 GLN 24 11.520 -17.136 2.587 25 HG2 GLN 24 HG2 GLN 24 13.842 -17.709 2.383 26 HG3 GLN 24 HG3 GLN 24 13.677 -16.332 3.471 27 HE21 GLN 24 HE21 GLN 24 15.674 -16.732 4.448 28 HE22 GLN 24 HE22 GLN 24 15.930 -18.075 5.512 29 H SER 25 HN SER 25 10.587 -15.279 3.148 30 HA SER 25 HA SER 25 11.107 -13.074 4.953 31 HG SER 25 HG SER 25 13.531 -13.286 1.678 32 HB2 SER 25 HB2 SER 25 12.416 -11.873 3.111 33 HB3 SER 25 HB3 SER 25 13.265 -13.160 3.966 34 H ASP 26 HN ASP 26 10.669 -13.430 1.443 35 HA ASP 26 HA ASP 26 8.003 -12.221 1.698 36 HB2 ASP 26 HB2 ASP 26 10.184 -11.339 -0.200 37 HB3 ASP 26 HB3 ASP 26 8.492 -10.920 -0.414 38 H GLU 27 HN GLU 27 6.739 -12.471 -0.331 39 HA GLU 27 HA GLU 27 7.728 -14.600 -2.100 40 HB2 GLU 27 HB2 GLU 27 5.419 -15.465 -2.300 41 HB3 GLU 27 HB3 GLU 27 6.063 -15.625 -0.674 42 HG2 GLU 27 HG2 GLU 27 4.751 -13.729 0.070 43 HG3 GLU 27 HG3 GLU 27 4.166 -13.462 -1.574 44 H ALA 28 HN ALA 28 5.590 -11.854 -1.639 45 HA ALA 28 HA ALA 28 5.961 -11.013 -4.396 46 HB1 ALA 28 HB3 ALA 28 3.212 -11.492 -3.243 47 HB2 ALA 28 HB1 ALA 28 3.586 -10.866 -4.850 48 HB3 ALA 28 HB2 ALA 28 4.006 -12.526 -4.433 49 H VAL 29 HN VAL 29 3.601 -9.268 -4.044 50 HA VAL 29 HA VAL 29 4.524 -6.862 -3.235 51 HB VAL 29 HB VAL 29 1.742 -7.821 -2.523 52 HG11 VAL 29 HG11 VAL 29 1.108 -5.484 -2.903 53 HG12 VAL 29 HG12 VAL 29 2.313 -5.629 -1.623 54 HG13 VAL 29 HG13 VAL 29 2.791 -5.082 -3.232 55 HG21 VAL 29 HG23 VAL 29 2.109 -8.429 -4.815 56 HG22 VAL 29 HG21 VAL 29 1.087 -6.995 -4.779 57 HG23 VAL 29 HG22 VAL 29 2.797 -6.844 -5.177 58 H LYS 30 HN LYS 30 4.971 -5.800 -1.348 59 HA LYS 30 HA LYS 30 5.255 -7.373 1.010 60 HB2 LYS 30 HB2 LYS 30 5.673 -4.424 0.518 61 HB3 LYS 30 HB3 LYS 30 5.895 -5.161 2.098 62 HG2 LYS 30 HG2 LYS 30 8.040 -5.065 1.180 63 HG3 LYS 30 HG3 LYS 30 7.534 -6.741 0.956 64 HD2 LYS 30 HD2 LYS 30 6.779 -6.049 -1.368 65 HD3 LYS 30 HD3 LYS 30 7.659 -4.542 -1.094 66 HE2 LYS 30 HE2 LYS 30 9.110 -6.024 -2.272 67 HE3 LYS 30 HE3 LYS 30 9.693 -5.912 -0.614 68 HZ1 LYS 30 HZ3 LYS 30 8.029 -8.118 -1.701 69 HZ2 LYS 30 HZ1 LYS 30 8.639 -8.020 -0.117 70 HZ3 LYS 30 HZ2 LYS 30 9.698 -8.186 -1.434 71 H TYR 31 HN TYR 31 4.162 -7.177 2.989 72 HA TYR 31 HA TYR 31 1.461 -6.020 2.688 73 HD1 TYR 31 HD2 TYR 31 0.014 -7.616 1.363 74 HD2 TYR 31 HD1 TYR 31 2.901 -10.263 3.005 75 HE1 TYR 31 HE2 TYR 31 -0.137 -9.016 -0.654 76 HE2 TYR 31 HE1 TYR 31 2.771 -11.675 1.001 77 HH TYR 31 HH TYR 31 1.056 -10.660 -1.856 78 HB2 TYR 31 HB2 TYR 31 2.181 -8.490 4.277 79 HB3 TYR 31 HB3 TYR 31 0.570 -7.857 3.962 80 H TYR 32 HN TYR 32 0.498 -5.152 4.523 81 HA TYR 32 HA TYR 32 2.091 -5.135 6.993 82 HD1 TYR 32 HD1 TYR 32 3.249 -2.635 8.060 83 HD2 TYR 32 HD2 TYR 32 1.858 -2.376 4.046 84 HE1 TYR 32 HE1 TYR 32 5.367 -1.578 7.403 85 HE2 TYR 32 HE2 TYR 32 3.977 -1.318 3.376 86 HH TYR 32 HH TYR 32 6.732 -1.335 5.295 87 HB2 TYR 32 HB2 TYR 32 0.330 -2.953 5.854 88 HB3 TYR 32 HB3 TYR 32 0.881 -2.957 7.523 89 H THR 33 HN THR 33 0.001 -4.218 8.688 90 HA THR 33 HA THR 33 -2.129 -6.210 8.226 91 HB THR 33 HB THR 33 -2.378 -6.274 10.734 92 HG1 THR 33 HG1 THR 33 0.233 -5.122 10.714 93 HG21 THR 33 HG23 THR 33 0.261 -7.221 9.612 94 HG22 THR 33 HG21 THR 33 -1.264 -8.103 9.566 95 HG23 THR 33 HG22 THR 33 -0.473 -7.792 11.112 96 H LEU 34 HN LEU 34 -4.254 -5.652 9.064 97 HA LEU 34 HA LEU 34 -5.191 -3.082 8.756 98 HG LEU 34 HG LEU 34 -7.084 -3.043 11.303 99 HB2 LEU 34 HB2 LEU 34 -6.693 -4.957 9.016 100 HB3 LEU 34 HB3 LEU 34 -6.128 -5.260 10.645 101 HD11 LEU 34 HD11 LEU 34 -8.325 -3.146 8.563 102 HD12 LEU 34 HD12 LEU 34 -8.742 -2.005 9.840 103 HD13 LEU 34 HD13 LEU 34 -7.133 -1.971 9.120 104 HD21 LEU 34 HD23 LEU 34 -9.037 -5.017 10.152 105 HD22 LEU 34 HD21 LEU 34 -8.261 -5.140 11.730 106 HD23 LEU 34 HD22 LEU 34 -9.383 -3.819 11.397 107 H GLU 35 HN GLU 35 -3.794 -4.652 11.502 108 HA GLU 35 HA GLU 35 -4.425 -2.960 13.602 109 HB2 GLU 35 HB2 GLU 35 -1.984 -4.705 13.238 110 HB3 GLU 35 HB3 GLU 35 -2.584 -4.095 14.773 111 HG2 GLU 35 HG2 GLU 35 -4.527 -5.441 14.648 112 HG3 GLU 35 HG3 GLU 35 -4.204 -5.867 12.968 113 H GLU 36 HN GLU 36 -1.580 -2.989 11.519 114 HA GLU 36 HA GLU 36 -0.429 -0.748 12.969 115 HB2 GLU 36 HB2 GLU 36 1.540 -1.134 11.619 116 HB3 GLU 36 HB3 GLU 36 0.986 -2.633 12.346 117 HG2 GLU 36 HG2 GLU 36 -0.165 -3.093 10.114 118 HG3 GLU 36 HG3 GLU 36 0.820 -1.770 9.479 119 H ILE 37 HN ILE 37 -2.211 -1.383 10.132 120 HA ILE 37 HA ILE 37 -1.715 1.249 9.020 121 HB ILE 37 HB ILE 37 -3.627 -0.946 8.139 122 HG12 ILE 37 HG12 ILE 37 -1.016 0.028 6.960 123 HG13 ILE 37 HG13 ILE 37 -1.203 -1.437 7.916 124 HG21 ILE 37 HG21 ILE 37 -2.898 1.597 6.676 125 HG22 ILE 37 HG22 ILE 37 -3.945 0.307 6.083 126 HG23 ILE 37 HG23 ILE 37 -4.446 1.284 7.462 127 HD11 ILE 37 HD13 ILE 37 -2.677 -2.359 6.212 128 HD12 ILE 37 HD11 ILE 37 -2.513 -0.881 5.264 129 HD13 ILE 37 HD12 ILE 37 -1.110 -1.915 5.536 130 H GLN 38 HN GLN 38 -2.895 0.622 11.726 131 HA GLN 38 HA GLN 38 -5.007 2.654 11.486 132 HB2 GLN 38 HB2 GLN 38 -4.880 0.189 13.081 133 HB3 GLN 38 HB3 GLN 38 -5.441 1.611 13.958 134 HG2 GLN 38 HG2 GLN 38 -6.579 0.669 11.337 135 HG3 GLN 38 HG3 GLN 38 -7.262 0.289 12.917 136 HE21 GLN 38 HE21 GLN 38 -6.515 2.897 10.671 137 HE22 GLN 38 HE22 GLN 38 -7.677 4.013 11.295 138 H LYS 39 HN LYS 39 -2.119 1.611 13.135 139 HA LYS 39 HA LYS 39 -2.371 3.507 15.293 140 HB2 LYS 39 HB2 LYS 39 -0.265 2.549 16.096 141 HB3 LYS 39 HB3 LYS 39 -1.405 1.276 15.689 142 HG2 LYS 39 HG2 LYS 39 -0.226 0.942 13.553 143 HG3 LYS 39 HG3 LYS 39 0.936 2.185 14.023 144 HD2 LYS 39 HD2 LYS 39 1.876 0.024 14.511 145 HD3 LYS 39 HD3 LYS 39 1.502 0.845 16.025 146 HE2 LYS 39 HE2 LYS 39 -0.597 -0.446 16.186 147 HE3 LYS 39 HE3 LYS 39 -0.169 -1.296 14.706 148 HZ1 LYS 39 HZ3 LYS 39 1.114 -1.460 17.357 149 HZ2 LYS 39 HZ1 LYS 39 1.950 -1.935 15.960 150 HZ3 LYS 39 HZ2 LYS 39 0.509 -2.711 16.398 151 H HIS 40 HN HIS 40 -1.654 3.941 12.213 152 HA HIS 40 HA HIS 40 0.687 5.671 12.540 153 HD1 HIS 40 HD1 HIS 40 -0.781 2.753 9.178 154 HD2 HIS 40 HD2 HIS 40 -2.150 6.635 9.632 155 HE1 HIS 40 HE1 HIS 40 -2.850 2.910 7.750 156 HE2 HIS 40 HE2 HIS 40 -3.560 5.322 7.906 157 HB2 HIS 40 HB2 HIS 40 0.747 5.740 10.083 158 HB3 HIS 40 HB3 HIS 40 0.671 4.072 10.630 159 H ASN 41 HN ASN 41 -2.406 5.981 13.104 160 HA ASN 41 HA ASN 41 -3.231 8.138 11.376 161 HB2 ASN 41 HB2 ASN 41 -5.329 8.001 12.562 162 HB3 ASN 41 HB3 ASN 41 -4.765 6.374 12.202 163 HD21 ASN 41 HD21 ASN 41 -6.649 7.260 14.240 164 HD22 ASN 41 HD22 ASN 41 -6.009 6.731 15.754 165 H HIS 42 HN HIS 42 -0.989 9.014 12.645 166 HA HIS 42 HA HIS 42 -1.914 10.864 14.706 167 HD1 HIS 42 HD1 HIS 42 1.345 9.447 13.264 168 HD2 HIS 42 HD2 HIS 42 0.827 7.082 16.648 169 HE1 HIS 42 HE1 HIS 42 3.099 7.645 13.111 170 HE2 HIS 42 HE2 HIS 42 2.760 6.213 15.158 171 HB2 HIS 42 HB2 HIS 42 0.001 10.258 16.178 172 HB3 HIS 42 HB3 HIS 42 -1.172 8.961 16.001 173 H SER 43 HN SER 43 -0.177 12.416 15.316 174 HA SER 43 HA SER 43 0.502 14.100 13.348 175 HG SER 43 HG SER 43 2.274 16.043 15.345 176 HB2 SER 43 HB2 SER 43 0.785 14.606 15.732 177 HB3 SER 43 HB3 SER 43 2.171 13.526 15.816 178 H LYS 44 HN LYS 44 2.582 11.462 14.435 179 HA LYS 44 HA LYS 44 4.890 12.249 13.020 180 HB2 LYS 44 HB2 LYS 44 4.069 9.727 14.425 181 HB3 LYS 44 HB3 LYS 44 5.579 9.805 13.531 182 HG2 LYS 44 HG2 LYS 44 6.276 10.312 15.641 183 HG3 LYS 44 HG3 LYS 44 6.001 11.924 14.978 184 HD2 LYS 44 HD2 LYS 44 3.820 12.010 16.073 185 HD3 LYS 44 HD3 LYS 44 4.054 10.374 16.694 186 HE2 LYS 44 HE2 LYS 44 6.154 11.254 17.807 187 HE3 LYS 44 HE3 LYS 44 5.578 12.869 17.404 188 HZ1 LYS 44 HZ3 LYS 44 3.517 12.318 18.664 189 HZ2 LYS 44 HZ1 LYS 44 4.922 12.368 19.619 190 HZ3 LYS 44 HZ2 LYS 44 4.259 10.881 19.167 191 H SER 45 HN SER 45 2.081 10.809 11.762 192 HA SER 45 HA SER 45 3.447 10.183 9.311 193 HG SER 45 HG SER 45 4.683 8.770 10.608 194 HB2 SER 45 HB2 SER 45 2.121 7.945 10.850 195 HB3 SER 45 HB3 SER 45 2.661 7.836 9.177 196 H THR 46 HN THR 46 1.903 9.347 7.635 197 HA THR 46 HA THR 46 -0.906 9.514 8.261 198 HB THR 46 HB THR 46 0.239 11.311 6.101 199 HG1 THR 46 HG1 THR 46 -0.144 11.718 8.737 200 HG21 THR 46 HG23 THR 46 -1.907 10.465 5.442 201 HG22 THR 46 HG21 THR 46 -2.130 12.130 5.980 202 HG23 THR 46 HG22 THR 46 -2.585 10.787 7.038 203 H TRP 47 HN TRP 47 -1.136 7.382 7.632 204 HA TRP 47 HA TRP 47 -0.501 6.761 4.824 205 HD1 TRP 47 HD1 TRP 47 1.757 6.869 5.605 206 HE1 TRP 47 HE1 TRP 47 4.051 5.854 6.226 207 HE3 TRP 47 HE3 TRP 47 0.192 2.356 7.396 208 HZ2 TRP 47 HZ2 TRP 47 5.048 3.446 7.312 209 HZ3 TRP 47 HZ3 TRP 47 1.868 0.752 8.193 210 HH2 TRP 47 HH2 TRP 47 4.241 1.279 8.152 211 HB2 TRP 47 HB2 TRP 47 -0.943 4.873 7.147 212 HB3 TRP 47 HB3 TRP 47 -0.808 4.358 5.472 213 H LEU 48 HN LEU 48 -2.108 5.382 3.690 214 HA LEU 48 HA LEU 48 -4.747 5.219 4.870 215 HG LEU 48 HG LEU 48 -3.926 6.151 1.390 216 HB2 LEU 48 HB2 LEU 48 -5.905 6.412 3.110 217 HB3 LEU 48 HB3 LEU 48 -4.788 7.483 3.931 218 HD11 LEU 48 HD11 LEU 48 -4.819 8.054 0.124 219 HD12 LEU 48 HD12 LEU 48 -6.102 7.092 0.860 220 HD13 LEU 48 HD13 LEU 48 -5.627 8.631 1.580 221 HD21 LEU 48 HD23 LEU 48 -2.310 7.429 2.758 222 HD22 LEU 48 HD21 LEU 48 -2.567 8.143 1.167 223 HD23 LEU 48 HD22 LEU 48 -3.331 8.859 2.586 224 H ILE 49 HN ILE 49 -6.276 4.434 2.932 225 HA ILE 49 HA ILE 49 -4.808 2.632 1.125 226 HB ILE 49 HB ILE 49 -7.400 1.884 2.520 227 HG12 ILE 49 HG12 ILE 49 -4.646 0.812 3.154 228 HG13 ILE 49 HG13 ILE 49 -5.466 2.038 4.115 229 HG21 ILE 49 HG21 ILE 49 -7.050 0.806 0.364 230 HG22 ILE 49 HG22 ILE 49 -5.466 0.240 0.898 231 HG23 ILE 49 HG23 ILE 49 -6.923 -0.361 1.683 232 HD11 ILE 49 HD13 ILE 49 -6.422 -0.774 3.636 233 HD12 ILE 49 HD11 ILE 49 -5.691 -0.156 5.116 234 HD13 ILE 49 HD12 ILE 49 -7.261 0.449 4.592 235 H LEU 50 HN LEU 50 -6.026 2.266 -0.886 236 HA LEU 50 HA LEU 50 -8.213 4.186 -1.253 237 HG LEU 50 HG LEU 50 -5.687 5.662 -1.811 238 HB2 LEU 50 HB2 LEU 50 -5.885 3.598 -3.013 239 HB3 LEU 50 HB3 LEU 50 -7.402 4.100 -3.738 240 HD11 LEU 50 HD11 LEU 50 -5.660 7.295 -3.645 241 HD12 LEU 50 HD12 LEU 50 -4.991 5.742 -4.148 242 HD13 LEU 50 HD13 LEU 50 -6.625 6.197 -4.630 243 HD21 LEU 50 HD23 LEU 50 -8.011 5.950 -1.145 244 HD22 LEU 50 HD21 LEU 50 -7.429 7.412 -1.944 245 HD23 LEU 50 HD22 LEU 50 -8.467 6.286 -2.817 246 H HIS 51 HN HIS 51 -6.963 1.054 -2.059 247 HA HIS 51 HA HIS 51 -9.614 0.231 -2.990 248 HD1 HIS 51 HD1 HIS 51 -9.005 -0.425 -7.165 249 HD2 HIS 51 HD2 HIS 51 -9.178 2.712 -4.448 250 HE1 HIS 51 HE1 HIS 51 -10.108 1.477 -8.387 251 HE2 HIS 51 HE2 HIS 51 -10.507 3.214 -6.605 252 HB2 HIS 51 HB2 HIS 51 -7.073 0.085 -4.593 253 HB3 HIS 51 HB3 HIS 51 -8.328 -1.119 -4.836 254 H HIS 52 HN HIS 52 -6.321 -0.832 -2.290 255 HA HIS 52 HA HIS 52 -7.058 -2.500 -0.186 256 HD1 HIS 52 HD1 HIS 52 -4.797 -5.363 -3.087 257 HD2 HIS 52 HD2 HIS 52 -7.955 -2.917 -4.196 258 HE1 HIS 52 HE1 HIS 52 -4.792 -5.360 -5.609 259 HE2 HIS 52 HE2 HIS 52 -6.910 -4.138 -6.230 260 HB2 HIS 52 HB2 HIS 52 -6.297 -4.704 -1.186 261 HB3 HIS 52 HB3 HIS 52 -7.904 -4.148 -1.627 262 H LYS 53 HN LYS 53 -5.073 -0.618 -1.631 263 HA LYS 53 HA LYS 53 -2.595 -1.922 -0.738 264 HB2 LYS 53 HB2 LYS 53 -2.901 0.274 -2.813 265 HB3 LYS 53 HB3 LYS 53 -1.392 -0.478 -2.320 266 HG2 LYS 53 HG2 LYS 53 -2.002 -2.544 -3.314 267 HG3 LYS 53 HG3 LYS 53 -3.649 -1.975 -3.619 268 HD2 LYS 53 HD2 LYS 53 -2.813 -0.319 -5.165 269 HD3 LYS 53 HD3 LYS 53 -1.149 -0.783 -4.811 270 HE2 LYS 53 HE2 LYS 53 -3.237 -2.577 -6.022 271 HE3 LYS 53 HE3 LYS 53 -1.995 -1.717 -6.929 272 HZ1 LYS 53 HZ3 LYS 53 -1.227 -3.912 -6.615 273 HZ2 LYS 53 HZ1 LYS 53 -1.607 -3.915 -4.958 274 HZ3 LYS 53 HZ2 LYS 53 -0.333 -2.953 -5.546 275 H VAL 54 HN VAL 54 -1.329 -0.787 0.726 276 HA VAL 54 HA VAL 54 -2.586 1.521 1.960 277 HB VAL 54 HB VAL 54 -1.649 -0.146 3.446 278 HG11 VAL 54 HG11 VAL 54 1.002 0.419 2.123 279 HG12 VAL 54 HG12 VAL 54 0.775 -0.562 3.572 280 HG13 VAL 54 HG13 VAL 54 0.078 -1.081 2.036 281 HG21 VAL 54 HG23 VAL 54 -1.602 2.171 4.187 282 HG22 VAL 54 HG21 VAL 54 -0.220 1.284 4.831 283 HG23 VAL 54 HG22 VAL 54 -0.007 2.384 3.468 284 H TYR 55 HN TYR 55 -1.977 3.579 1.691 285 HA TYR 55 HA TYR 55 0.396 4.120 0.023 286 HD1 TYR 55 HD2 TYR 55 -3.071 3.363 -0.492 287 HD2 TYR 55 HD1 TYR 55 -0.730 6.029 -2.837 288 HE1 TYR 55 HE2 TYR 55 -3.974 2.346 -2.536 289 HE2 TYR 55 HE1 TYR 55 -1.635 5.023 -4.888 290 HH TYR 55 HH TYR 55 -2.710 3.095 -5.676 291 HB2 TYR 55 HB2 TYR 55 -2.142 5.741 0.323 292 HB3 TYR 55 HB3 TYR 55 -0.723 6.281 -0.559 293 H ASP 56 HN ASP 56 1.433 6.238 0.500 294 HA ASP 56 HA ASP 56 0.921 7.165 3.240 295 HB2 ASP 56 HB2 ASP 56 3.051 6.933 3.940 296 HB3 ASP 56 HB3 ASP 56 3.190 5.768 2.632 297 H LEU 57 HN LEU 57 1.204 9.401 3.582 298 HA LEU 57 HA LEU 57 2.100 10.976 1.263 299 HG LEU 57 HG LEU 57 -0.999 10.025 1.702 300 HB2 LEU 57 HB2 LEU 57 -0.112 11.909 3.084 301 HB3 LEU 57 HB3 LEU 57 0.453 12.671 1.622 302 HD11 LEU 57 HD11 LEU 57 -1.988 12.807 1.109 303 HD12 LEU 57 HD12 LEU 57 -2.885 11.333 0.748 304 HD13 LEU 57 HD13 LEU 57 -2.502 11.746 2.420 305 HD21 LEU 57 HD23 LEU 57 0.476 10.283 -0.240 306 HD22 LEU 57 HD21 LEU 57 -1.222 10.358 -0.715 307 HD23 LEU 57 HD22 LEU 57 -0.271 11.839 -0.603 308 H THR 58 HN THR 58 3.507 10.038 3.613 309 HA THR 58 HA THR 58 3.353 11.681 5.840 310 HB THR 58 HB THR 58 5.689 10.904 6.360 311 HG1 THR 58 HG1 THR 58 5.374 9.423 3.923 312 HG21 THR 58 HG23 THR 58 3.669 8.804 5.537 313 HG22 THR 58 HG21 THR 58 3.733 9.641 7.087 314 HG23 THR 58 HG22 THR 58 5.034 8.546 6.627 315 H LYS 59 HN LYS 59 5.385 12.123 2.963 316 HA LYS 59 HA LYS 59 6.168 14.747 4.013 317 HB2 LYS 59 HB2 LYS 59 7.312 12.900 1.988 318 HB3 LYS 59 HB3 LYS 59 7.550 14.626 1.735 319 HG2 LYS 59 HG2 LYS 59 8.336 13.073 4.195 320 HG3 LYS 59 HG3 LYS 59 9.429 13.633 2.928 321 HD2 LYS 59 HD2 LYS 59 7.721 15.416 4.668 322 HD3 LYS 59 HD3 LYS 59 9.440 15.106 4.916 323 HE2 LYS 59 HE2 LYS 59 9.920 16.086 2.715 324 HE3 LYS 59 HE3 LYS 59 8.202 16.402 2.483 325 HZ1 LYS 59 HZ3 LYS 59 9.520 18.340 3.277 326 HZ2 LYS 59 HZ1 LYS 59 9.782 17.525 4.737 327 HZ3 LYS 59 HZ2 LYS 59 8.205 17.950 4.274 328 H PHE 60 HN PHE 60 4.029 13.225 1.923 329 HA PHE 60 HA PHE 60 3.969 15.142 -0.182 330 HD1 PHE 60 HD2 PHE 60 3.999 14.419 -2.370 331 HD2 PHE 60 HD1 PHE 60 0.112 13.284 -1.061 332 HE1 PHE 60 HE2 PHE 60 3.082 15.014 -4.575 333 HE2 PHE 60 HE1 PHE 60 -0.810 13.873 -3.266 334 HZ PHE 60 HZ PHE 60 0.693 14.733 -5.035 335 HB2 PHE 60 HB2 PHE 60 3.418 12.675 -0.344 336 HB3 PHE 60 HB3 PHE 60 1.871 13.067 0.398 337 H LEU 61 HN LEU 61 2.671 14.995 2.852 338 HA LEU 61 HA LEU 61 0.139 16.054 2.797 339 HG LEU 61 HG LEU 61 1.853 14.185 4.635 340 HB2 LEU 61 HB2 LEU 61 2.365 16.596 4.764 341 HB3 LEU 61 HB3 LEU 61 0.672 16.935 5.053 342 HD11 LEU 61 HD11 LEU 61 0.891 15.580 7.130 343 HD12 LEU 61 HD12 LEU 61 1.323 13.873 7.026 344 HD13 LEU 61 HD13 LEU 61 2.549 15.114 6.757 345 HD21 LEU 61 HD23 LEU 61 -0.364 13.406 5.356 346 HD22 LEU 61 HD21 LEU 61 -0.935 15.073 5.370 347 HD23 LEU 61 HD22 LEU 61 -0.444 14.328 3.849 348 H GLU 62 HN GLU 62 3.184 17.625 2.310 349 HA GLU 62 HA GLU 62 2.172 20.311 2.694 350 HB2 GLU 62 HB2 GLU 62 4.873 19.394 1.706 351 HB3 GLU 62 HB3 GLU 62 4.473 20.982 2.344 352 HG2 GLU 62 HG2 GLU 62 4.078 20.003 4.541 353 HG3 GLU 62 HG3 GLU 62 4.446 18.404 3.890 354 H GLU 63 HN GLU 63 2.344 18.067 0.197 355 HA GLU 63 HA GLU 63 2.796 20.101 -1.891 356 HB2 GLU 63 HB2 GLU 63 4.347 18.002 -1.464 357 HB3 GLU 63 HB3 GLU 63 3.107 17.168 -2.391 358 HG2 GLU 63 HG2 GLU 63 3.426 18.739 -4.227 359 HG3 GLU 63 HG3 GLU 63 4.680 19.560 -3.301 360 H HIS 64 HN HIS 64 0.633 17.753 -0.645 361 HA HIS 64 HA HIS 64 -0.935 17.297 -2.916 362 HD1 HIS 64 HD1 HIS 64 -4.075 16.708 0.378 363 HD2 HIS 64 HD2 HIS 64 -2.778 14.991 -3.233 364 HE1 HIS 64 HE1 HIS 64 -6.071 15.460 -0.604 365 HB2 HIS 64 HB3 HIS 64 -0.898 15.829 -0.943 366 HB3 HIS 64 HB2 HIS 64 -1.652 17.059 0.025 367 HA PRO 65 HA PRO 65 -2.395 21.405 -3.242 368 HB2 PRO 65 HB2 PRO 65 -4.386 21.075 -5.064 369 HB3 PRO 65 HB3 PRO 65 -2.670 20.971 -5.472 370 HG2 PRO 65 HG2 PRO 65 -4.631 18.776 -4.928 371 HG3 PRO 65 HG3 PRO 65 -3.406 18.887 -6.205 372 HD2 PRO 65 HD2 PRO 65 -3.032 17.427 -3.975 373 HD3 PRO 65 HD3 PRO 65 -1.694 18.266 -4.787 374 H GLY 66 HN GLY 66 -4.664 18.966 -2.223 375 HA2 GLY 66 HA1 GLY 66 -6.297 21.077 -1.012 376 HA3 GLY 66 HA2 GLY 66 -7.093 19.932 -2.079 377 H GLY 67 HN GLY 67 -4.934 19.968 0.752 378 HA2 GLY 67 HA1 GLY 67 -6.536 18.754 2.568 379 HA3 GLY 67 HA2 GLY 67 -5.912 17.403 1.630 380 H GLU 68 HN GLU 68 -5.254 19.715 4.065 381 HA GLU 68 HA GLU 68 -2.610 18.460 4.412 382 HB2 GLU 68 HB2 GLU 68 -2.700 20.996 4.113 383 HB3 GLU 68 HB3 GLU 68 -3.494 21.055 5.683 384 HG2 GLU 68 HG2 GLU 68 -1.571 20.101 6.758 385 HG3 GLU 68 HG3 GLU 68 -0.781 19.835 5.206 386 H GLU 69 HN GLU 69 -5.029 20.085 6.442 387 HA GLU 69 HA GLU 69 -4.535 18.412 8.706 388 HB2 GLU 69 HB2 GLU 69 -6.982 20.126 8.252 389 HB3 GLU 69 HB3 GLU 69 -6.287 19.635 9.786 390 HG2 GLU 69 HG2 GLU 69 -5.552 21.769 9.722 391 HG3 GLU 69 HG3 GLU 69 -4.217 20.997 8.869 392 H VAL 70 HN VAL 70 -6.913 18.519 6.150 393 HA VAL 70 HA VAL 70 -8.842 16.877 7.417 394 HB VAL 70 HB VAL 70 -10.010 16.857 5.287 395 HG11 VAL 70 HG11 VAL 70 -10.325 19.269 5.013 396 HG12 VAL 70 HG12 VAL 70 -10.241 18.812 6.714 397 HG13 VAL 70 HG13 VAL 70 -8.849 19.562 5.935 398 HG21 VAL 70 HG23 VAL 70 -8.091 16.582 3.794 399 HG22 VAL 70 HG21 VAL 70 -9.097 17.947 3.305 400 HG23 VAL 70 HG22 VAL 70 -7.574 18.226 4.150 401 H LEU 71 HN LEU 71 -5.948 16.099 5.853 402 HA LEU 71 HA LEU 71 -6.692 13.572 4.798 403 HG LEU 71 HG LEU 71 -4.943 15.782 3.580 404 HB2 LEU 71 HB2 LEU 71 -4.018 14.738 5.590 405 HB3 LEU 71 HB3 LEU 71 -4.188 13.148 4.862 406 HD11 LEU 71 HD11 LEU 71 -2.748 13.809 2.972 407 HD12 LEU 71 HD12 LEU 71 -3.148 15.227 2.004 408 HD13 LEU 71 HD13 LEU 71 -2.547 15.422 3.653 409 HD21 LEU 71 HD23 LEU 71 -5.447 14.447 1.599 410 HD22 LEU 71 HD21 LEU 71 -5.123 12.971 2.509 411 HD23 LEU 71 HD22 LEU 71 -6.484 14.001 2.954 412 H ARG 72 HN ARG 72 -5.778 14.798 7.867 413 HA ARG 72 HA ARG 72 -4.652 12.644 9.176 414 HE ARG 72 HE ARG 72 -5.844 15.218 12.382 415 HB2 ARG 72 HB2 ARG 72 -6.171 15.055 10.052 416 HB3 ARG 72 HB3 ARG 72 -5.757 13.832 11.243 417 HG2 ARG 72 HG2 ARG 72 -3.405 14.108 10.739 418 HG3 ARG 72 HG3 ARG 72 -3.799 15.286 9.483 419 HD2 ARG 72 HD2 ARG 72 -3.109 16.122 11.855 420 HD3 ARG 72 HD3 ARG 72 -4.435 16.903 10.996 421 HH11 ARG 72 HH12 ARG 72 -2.982 16.902 13.503 422 HH12 ARG 72 HH11 ARG 72 -3.525 16.972 15.149 423 HH21 ARG 72 HH22 ARG 72 -6.553 15.332 14.537 424 HH22 ARG 72 HH21 ARG 72 -5.540 16.075 15.739 425 H GLU 73 HN GLU 73 -8.042 13.478 8.813 426 HA GLU 73 HA GLU 73 -8.943 11.563 10.749 427 HB2 GLU 73 HB2 GLU 73 -10.067 13.750 10.223 428 HB3 GLU 73 HB3 GLU 73 -10.582 13.055 8.690 429 HG2 GLU 73 HG2 GLU 73 -11.852 11.352 9.868 430 HG3 GLU 73 HG3 GLU 73 -11.287 11.976 11.416 431 H GLN 74 HN GLN 74 -8.157 11.518 7.468 432 HA GLN 74 HA GLN 74 -9.623 9.022 6.958 433 HB2 GLN 74 HB2 GLN 74 -8.137 10.822 5.023 434 HB3 GLN 74 HB3 GLN 74 -9.166 9.458 4.602 435 HG2 GLN 74 HG2 GLN 74 -10.074 12.013 5.911 436 HG3 GLN 74 HG3 GLN 74 -10.276 11.586 4.211 437 HE21 GLN 74 HE21 GLN 74 -12.226 12.171 6.329 438 HE22 GLN 74 HE22 GLN 74 -13.290 10.814 6.368 439 H ALA 75 HN ALA 75 -6.752 10.144 8.061 440 HA ALA 75 HA ALA 75 -4.875 8.509 6.652 441 HB1 ALA 75 HB3 ALA 75 -4.585 9.997 9.258 442 HB2 ALA 75 HB1 ALA 75 -3.270 9.325 8.291 443 HB3 ALA 75 HB2 ALA 75 -4.243 10.653 7.655 444 H GLY 76 HN GLY 76 -6.099 6.523 6.968 445 HA2 GLY 76 HA1 GLY 76 -5.172 5.019 9.245 446 HA3 GLY 76 HA2 GLY 76 -6.903 5.331 9.271 447 H GLY 77 HN GLY 77 -8.213 4.476 7.636 448 HA2 GLY 77 HA1 GLY 77 -6.993 2.097 6.420 449 HA3 GLY 77 HA2 GLY 77 -8.706 2.275 6.809 450 H ASP 78 HN ASP 78 -9.651 2.064 4.843 451 HA ASP 78 HA ASP 78 -8.425 3.183 2.520 452 HB2 ASP 78 HB2 ASP 78 -9.938 1.071 2.675 453 HB3 ASP 78 HB3 ASP 78 -11.264 2.221 2.549 454 H ALA 79 HN ALA 79 -9.185 4.860 1.225 455 HA ALA 79 HA ALA 79 -10.910 6.761 2.669 456 HB1 ALA 79 HB3 ALA 79 -8.641 7.398 0.790 457 HB2 ALA 79 HB1 ALA 79 -9.648 8.566 1.646 458 HB3 ALA 79 HB2 ALA 79 -8.580 7.497 2.553 459 H THR 80 HN THR 80 -11.102 4.677 0.222 460 HA THR 80 HA THR 80 -11.626 6.179 -2.073 461 HB THR 80 HB THR 80 -11.168 3.748 -2.076 462 HG1 THR 80 HG1 THR 80 -13.502 4.712 -3.394 463 HG21 THR 80 HG23 THR 80 -14.080 3.465 -1.282 464 HG22 THR 80 HG21 THR 80 -12.700 3.068 -0.252 465 HG23 THR 80 HG22 THR 80 -12.984 2.159 -1.734 466 H GLU 81 HN GLU 81 -13.643 5.721 0.683 467 HA GLU 81 HA GLU 81 -16.178 6.143 -0.388 468 HB2 GLU 81 HB2 GLU 81 -14.925 6.952 2.226 469 HB3 GLU 81 HB3 GLU 81 -16.583 7.403 1.845 470 HG2 GLU 81 HG2 GLU 81 -15.518 4.589 1.915 471 HG3 GLU 81 HG3 GLU 81 -16.433 5.368 3.204 472 H ASN 82 HN ASN 82 -13.848 8.556 0.752 473 HA ASN 82 HA ASN 82 -15.404 10.765 -0.260 474 HB2 ASN 82 HB2 ASN 82 -13.937 10.798 1.838 475 HB3 ASN 82 HB3 ASN 82 -12.555 10.857 0.751 476 HD21 ASN 82 HD21 ASN 82 -12.134 12.739 -0.404 477 HD22 ASN 82 HD22 ASN 82 -12.926 14.233 -0.061 478 H PHE 83 HN PHE 83 -12.895 8.715 -1.296 479 HA PHE 83 HA PHE 83 -11.614 10.270 -3.267 480 HD1 PHE 83 HD1 PHE 83 -8.942 9.272 -3.658 481 HD2 PHE 83 HD2 PHE 83 -11.803 6.592 -5.306 482 HE1 PHE 83 HE1 PHE 83 -7.513 8.972 -5.635 483 HE2 PHE 83 HE2 PHE 83 -10.377 6.282 -7.286 484 HZ PHE 83 HZ PHE 83 -8.208 7.437 -7.432 485 HB2 PHE 83 HB2 PHE 83 -10.699 8.205 -2.281 486 HB3 PHE 83 HB3 PHE 83 -11.976 7.276 -3.053 487 H GLU 84 HN GLU 84 -14.589 8.560 -3.178 488 HA GLU 84 HA GLU 84 -15.004 8.319 -6.011 489 HB2 GLU 84 HB2 GLU 84 -16.792 7.972 -3.601 490 HB3 GLU 84 HB3 GLU 84 -17.353 7.717 -5.244 491 HG2 GLU 84 HG2 GLU 84 -15.036 6.254 -4.025 492 HG3 GLU 84 HG3 GLU 84 -16.693 5.654 -3.999 493 H ASP 85 HN ASP 85 -15.429 10.700 -3.620 494 HA ASP 85 HA ASP 85 -17.541 12.168 -4.967 495 HB2 ASP 85 HB2 ASP 85 -17.482 12.064 -2.509 496 HB3 ASP 85 HB3 ASP 85 -15.899 12.828 -2.505 497 H VAL 86 HN VAL 86 -14.097 12.399 -4.373 498 HA VAL 86 HA VAL 86 -13.949 14.697 -6.196 499 HB VAL 86 HB VAL 86 -11.696 13.676 -4.471 500 HG11 VAL 86 HG11 VAL 86 -10.776 15.906 -4.801 501 HG12 VAL 86 HG12 VAL 86 -11.076 15.112 -6.346 502 HG13 VAL 86 HG13 VAL 86 -12.183 16.359 -5.765 503 HG21 VAL 86 HG23 VAL 86 -13.723 15.796 -3.763 504 HG22 VAL 86 HG21 VAL 86 -13.499 14.241 -2.964 505 HG23 VAL 86 HG22 VAL 86 -12.234 15.463 -2.869 506 H GLY 87 HN GLY 87 -13.705 14.029 -8.191 507 HA2 GLY 87 HA1 GLY 87 -13.385 11.438 -9.005 508 HA3 GLY 87 HA2 GLY 87 -13.131 12.827 -10.036 509 H HIS 88 HN HIS 88 -10.754 13.788 -8.605 510 HA HIS 88 HA HIS 88 -8.508 13.669 -8.906 511 HD1 HIS 88 HD1 HIS 88 -9.829 11.111 -5.864 512 HD2 HIS 88 HD2 HIS 88 -6.297 13.084 -6.873 513 HE1 HIS 88 HE1 HIS 88 -8.831 11.972 -3.680 514 HB2 HIS 88 HB2 HIS 88 -9.129 10.785 -8.302 515 HB3 HIS 88 HB3 HIS 88 -7.494 11.264 -8.728 516 H SER 89 HN SER 89 -8.013 14.326 -10.969 517 HA SER 89 HA SER 89 -8.918 12.872 -13.237 518 HG SER 89 HG SER 89 -6.057 15.433 -13.089 519 HB2 SER 89 HB2 SER 89 -7.440 14.588 -14.460 520 HB3 SER 89 HB3 SER 89 -8.796 15.198 -13.508 521 H THR 90 HN THR 90 -6.971 12.846 -15.089 522 HA THR 90 HA THR 90 -5.884 10.348 -14.823 523 HB THR 90 HB THR 90 -4.673 12.567 -16.475 524 HG1 THR 90 HG1 THR 90 -7.147 11.480 -16.587 525 HG21 THR 90 HG23 THR 90 -4.731 9.568 -16.894 526 HG22 THR 90 HG21 THR 90 -3.328 10.526 -16.413 527 HG23 THR 90 HG22 THR 90 -4.044 10.755 -18.006 528 H ASP 91 HN ASP 91 -4.423 13.430 -13.960 529 HA ASP 91 HA ASP 91 -1.779 12.869 -13.613 530 HB2 ASP 91 HB2 ASP 91 -3.366 14.373 -11.538 531 HB3 ASP 91 HB3 ASP 91 -1.714 14.672 -12.062 532 H ALA 92 HN ALA 92 -4.290 12.439 -11.141 533 HA ALA 92 HA ALA 92 -2.454 11.429 -9.206 534 HB1 ALA 92 HB3 ALA 92 -4.388 11.188 -7.778 535 HB2 ALA 92 HB1 ALA 92 -4.434 12.741 -8.613 536 HB3 ALA 92 HB2 ALA 92 -5.459 11.411 -9.156 537 H ARG 93 HN ARG 93 -3.843 9.938 -11.816 538 HA ARG 93 HA ARG 93 -4.205 7.342 -10.513 539 HE ARG 93 HE ARG 93 -8.455 9.656 -11.914 540 HB2 ARG 93 HB2 ARG 93 -4.687 8.224 -13.374 541 HB3 ARG 93 HB3 ARG 93 -5.137 6.665 -12.691 542 HG2 ARG 93 HG2 ARG 93 -6.679 7.712 -11.175 543 HG3 ARG 93 HG3 ARG 93 -6.146 9.310 -11.692 544 HD2 ARG 93 HD2 ARG 93 -6.972 8.755 -13.979 545 HD3 ARG 93 HD3 ARG 93 -7.655 7.270 -13.316 546 HH11 ARG 93 HH12 ARG 93 -9.201 7.538 -14.604 547 HH12 ARG 93 HH11 ARG 93 -10.872 8.002 -14.661 548 HH21 ARG 93 HH22 ARG 93 -10.637 10.260 -12.004 549 HH22 ARG 93 HH21 ARG 93 -11.682 9.556 -13.203 550 H GLU 94 HN GLU 94 -1.840 9.144 -11.895 551 HA GLU 94 HA GLU 94 -0.235 6.826 -12.772 552 HB2 GLU 94 HB2 GLU 94 -0.672 8.491 -14.547 553 HB3 GLU 94 HB3 GLU 94 -0.039 9.765 -13.520 554 HG2 GLU 94 HG2 GLU 94 1.689 9.329 -14.993 555 HG3 GLU 94 HG3 GLU 94 2.146 8.443 -13.542 556 H MET 95 HN MET 95 -0.363 9.870 -11.151 557 HA MET 95 HA MET 95 2.193 10.170 -10.120 558 HB2 MET 95 HB2 MET 95 0.293 11.850 -10.266 559 HB3 MET 95 HB3 MET 95 -0.369 11.096 -8.825 560 HG2 MET 95 HG2 MET 95 0.800 13.034 -8.142 561 HG3 MET 95 HG3 MET 95 1.757 11.638 -7.655 562 HE1 MET 95 HE3 MET 95 2.624 14.907 -8.154 563 HE2 MET 95 HE1 MET 95 3.534 13.689 -7.259 564 HE3 MET 95 HE2 MET 95 4.300 14.567 -8.584 565 H SER 96 HN SER 96 -0.568 8.389 -8.892 566 HA SER 96 HA SER 96 0.254 8.577 -6.185 567 HG SER 96 HG SER 96 -3.007 6.781 -7.737 568 HB2 SER 96 HB2 SER 96 -1.688 7.151 -5.713 569 HB3 SER 96 HB3 SER 96 -2.093 8.502 -6.773 570 H LYS 97 HN LYS 97 1.152 6.548 -8.684 571 HA LYS 97 HA LYS 97 0.958 3.981 -7.548 572 HB2 LYS 97 HB2 LYS 97 2.661 5.030 -9.805 573 HB3 LYS 97 HB3 LYS 97 2.507 3.326 -9.413 574 HG2 LYS 97 HG2 LYS 97 0.038 3.552 -9.767 575 HG3 LYS 97 HG3 LYS 97 0.342 5.184 -10.362 576 HD2 LYS 97 HD2 LYS 97 1.556 2.675 -11.520 577 HD3 LYS 97 HD3 LYS 97 0.145 3.510 -12.175 578 HE2 LYS 97 HE2 LYS 97 1.484 5.490 -12.592 579 HE3 LYS 97 HE3 LYS 97 2.885 4.729 -11.842 580 HZ1 LYS 97 HZ3 LYS 97 1.546 3.516 -14.179 581 HZ2 LYS 97 HZ1 LYS 97 3.116 3.243 -13.599 582 HZ3 LYS 97 HZ2 LYS 97 2.727 4.713 -14.368 583 H THR 98 HN THR 98 3.444 6.400 -7.317 584 HA THR 98 HA THR 98 5.358 4.507 -6.227 585 HB THR 98 HB THR 98 6.122 6.308 -7.753 586 HG1 THR 98 HG1 THR 98 7.137 6.089 -5.104 587 HG21 THR 98 HG23 THR 98 6.325 8.588 -6.838 588 HG22 THR 98 HG21 THR 98 5.393 8.081 -5.428 589 HG23 THR 98 HG22 THR 98 4.647 8.083 -7.025 590 H PHE 99 HN PHE 99 2.736 5.958 -5.049 591 HA PHE 99 HA PHE 99 3.898 6.451 -2.400 592 HD1 PHE 99 HD1 PHE 99 3.442 8.933 -1.242 593 HD2 PHE 99 HD2 PHE 99 1.945 8.734 -5.228 594 HE1 PHE 99 HE1 PHE 99 4.488 11.097 -1.743 595 HE2 PHE 99 HE2 PHE 99 2.991 10.911 -5.719 596 HZ PHE 99 HZ PHE 99 4.267 12.083 -3.976 597 HB2 PHE 99 HB2 PHE 99 1.216 7.151 -3.600 598 HB3 PHE 99 HB3 PHE 99 1.599 7.372 -1.894 599 H ILE 100 HN ILE 100 2.485 4.094 -4.220 600 HA ILE 100 HA ILE 100 0.933 2.759 -2.230 601 HB ILE 100 HB ILE 100 2.209 1.571 -4.712 602 HG12 ILE 100 HG12 ILE 100 -0.597 2.645 -4.348 603 HG13 ILE 100 HG13 ILE 100 0.695 3.484 -5.201 604 HG21 ILE 100 HG21 ILE 100 0.566 -0.192 -4.494 605 HG22 ILE 100 HG22 ILE 100 1.524 -0.073 -3.021 606 HG23 ILE 100 HG23 ILE 100 -0.115 0.586 -3.066 607 HD11 ILE 100 HD13 ILE 100 0.792 1.690 -6.841 608 HD12 ILE 100 HD11 ILE 100 -0.483 0.823 -5.983 609 HD13 ILE 100 HD12 ILE 100 -0.826 2.378 -6.741 610 H ILE 101 HN ILE 101 2.186 2.418 -0.363 611 HA ILE 101 HA ILE 101 4.927 1.581 -0.628 612 HB ILE 101 HB ILE 101 5.001 1.601 1.834 613 HG12 ILE 101 HG12 ILE 101 2.104 2.465 1.664 614 HG13 ILE 101 HG13 ILE 101 2.643 0.873 2.195 615 HG21 ILE 101 HG21 ILE 101 4.629 4.018 2.107 616 HG22 ILE 101 HG22 ILE 101 5.443 3.651 0.584 617 HG23 ILE 101 HG23 ILE 101 3.725 4.042 0.593 618 HD11 ILE 101 HD13 ILE 101 3.775 1.857 4.082 619 HD12 ILE 101 HD11 ILE 101 3.347 3.475 3.526 620 HD13 ILE 101 HD12 ILE 101 2.087 2.359 4.058 621 H GLY 102 HN GLY 102 1.899 -0.015 -0.261 622 HA2 GLY 102 HA1 GLY 102 2.922 -2.540 -0.797 623 HA3 GLY 102 HA2 GLY 102 2.852 -2.401 0.955 624 H GLU 103 HN GLU 103 1.298 -4.238 0.658 625 HA GLU 103 HA GLU 103 -1.385 -3.069 0.351 626 HB2 GLU 103 HB2 GLU 103 -0.387 -5.709 -0.651 627 HB3 GLU 103 HB3 GLU 103 -2.084 -5.519 -0.231 628 HG2 GLU 103 HG2 GLU 103 -1.900 -3.400 -1.764 629 HG3 GLU 103 HG3 GLU 103 -0.501 -4.247 -2.413 630 H LEU 104 HN LEU 104 -2.993 -4.917 1.354 631 HA LEU 104 HA LEU 104 -2.428 -4.687 4.149 632 HG LEU 104 HG LEU 104 -4.839 -3.862 2.055 633 HB2 LEU 104 HB2 LEU 104 -4.677 -6.157 2.793 634 HB3 LEU 104 HB3 LEU 104 -4.630 -5.655 4.467 635 HD11 LEU 104 HD11 LEU 104 -6.968 -3.222 3.085 636 HD12 LEU 104 HD12 LEU 104 -6.912 -4.939 2.678 637 HD13 LEU 104 HD13 LEU 104 -6.701 -4.421 4.351 638 HD21 LEU 104 HD23 LEU 104 -4.513 -3.150 4.969 639 HD22 LEU 104 HD21 LEU 104 -3.394 -2.781 3.654 640 HD23 LEU 104 HD22 LEU 104 -4.984 -2.020 3.703 641 H HIS 105 HN HIS 105 -2.951 -6.699 5.585 642 HA HIS 105 HA HIS 105 -1.053 -8.731 5.064 643 HD1 HIS 105 HD1 HIS 105 -2.318 -11.122 8.449 644 HD2 HIS 105 HD2 HIS 105 0.622 -8.610 6.904 645 HE1 HIS 105 HE1 HIS 105 -0.130 -12.007 9.330 646 HE2 HIS 105 HE2 HIS 105 1.644 -10.495 8.359 647 HB2 HIS 105 HB2 HIS 105 -2.451 -7.913 7.277 648 HB3 HIS 105 HB3 HIS 105 -3.252 -9.435 6.905 649 HA PRO 106 HA PRO 106 -2.664 -11.942 2.428 650 HB2 PRO 106 HB2 PRO 106 -2.917 -13.401 5.040 651 HB3 PRO 106 HB3 PRO 106 -2.338 -14.003 3.482 652 HG2 PRO 106 HG2 PRO 106 -0.669 -13.166 5.456 653 HG3 PRO 106 HG3 PRO 106 -0.273 -13.051 3.732 654 HD2 PRO 106 HD2 PRO 106 -0.763 -10.912 5.620 655 HD3 PRO 106 HD3 PRO 106 -0.235 -10.804 3.930 656 H ASP 107 HN ASP 107 -4.418 -11.682 5.512 657 HA ASP 107 HA ASP 107 -6.783 -12.884 4.354 658 HB2 ASP 107 HB2 ASP 107 -5.842 -13.496 6.637 659 HB3 ASP 107 HB3 ASP 107 -6.379 -11.914 7.189 660 H ASP 108 HN ASP 108 -5.559 -9.848 5.469 661 HA ASP 108 HA ASP 108 -8.061 -8.449 5.555 662 HB2 ASP 108 HB2 ASP 108 -5.192 -7.451 5.514 663 HB3 ASP 108 HB3 ASP 108 -6.593 -6.402 5.714 664 H ARG 109 HN ARG 109 -5.610 -9.113 3.159 665 HA ARG 109 HA ARG 109 -6.581 -7.357 1.153 666 HE ARG 109 HE ARG 109 -3.217 -7.364 -1.508 667 HB2 ARG 109 HB2 ARG 109 -5.071 -9.980 0.927 668 HB3 ARG 109 HB3 ARG 109 -5.441 -8.941 -0.434 669 HG2 ARG 109 HG2 ARG 109 -4.134 -7.136 0.600 670 HG3 ARG 109 HG3 ARG 109 -3.723 -8.222 1.927 671 HD2 ARG 109 HD2 ARG 109 -1.877 -8.374 0.528 672 HD3 ARG 109 HD3 ARG 109 -2.833 -9.788 0.083 673 HH11 ARG 109 HH12 ARG 109 -1.692 -10.521 -1.224 674 HH12 ARG 109 HH11 ARG 109 -1.309 -10.620 -2.910 675 HH21 ARG 109 HH22 ARG 109 -2.668 -7.511 -3.724 676 HH22 ARG 109 HH21 ARG 109 -1.855 -8.930 -4.322 677 HA PRO 110 HA PRO 110 -10.648 -7.757 0.711 678 HB2 PRO 110 HB2 PRO 110 -9.985 -9.246 -1.804 679 HB3 PRO 110 HB3 PRO 110 -11.276 -8.069 -1.522 680 HG2 PRO 110 HG2 PRO 110 -8.735 -7.443 -2.467 681 HG3 PRO 110 HG3 PRO 110 -9.847 -6.293 -1.701 682 HD2 PRO 110 HD2 PRO 110 -7.337 -7.091 -0.694 683 HD3 PRO 110 HD3 PRO 110 -8.608 -6.245 0.218 684 H LYS 111 HN LYS 111 -9.173 -10.617 1.612 685 HA LYS 111 HA LYS 111 -9.939 -12.645 2.313 686 HB2 LYS 111 HB2 LYS 111 -12.554 -11.149 2.324 687 HB3 LYS 111 HB3 LYS 111 -12.391 -12.786 2.939 688 HG2 LYS 111 HG2 LYS 111 -10.811 -10.437 3.975 689 HG3 LYS 111 HG3 LYS 111 -12.362 -10.946 4.644 690 HD2 LYS 111 HD2 LYS 111 -9.974 -12.751 4.408 691 HD3 LYS 111 HD3 LYS 111 -10.319 -11.790 5.845 692 HE2 LYS 111 HE2 LYS 111 -12.564 -12.950 5.909 693 HE3 LYS 111 HE3 LYS 111 -11.941 -14.036 4.667 694 HZ1 LYS 111 HZ3 LYS 111 -10.032 -14.463 6.241 695 HZ2 LYS 111 HZ1 LYS 111 -11.540 -15.095 6.719 696 HZ3 LYS 111 HZ2 LYS 111 -10.941 -13.682 7.432 697 H LEU 112 HN LEU 112 -12.688 -11.655 0.426 698 HA LEU 112 HA LEU 112 -14.034 -13.382 -0.701 699 HG LEU 112 HG LEU 112 -13.713 -13.252 -3.781 700 HB2 LEU 112 HB2 LEU 112 -13.853 -11.152 -1.619 701 HB3 LEU 112 HB3 LEU 112 -12.376 -11.591 -2.455 702 HD11 LEU 112 HD11 LEU 112 -16.152 -12.926 -3.848 703 HD12 LEU 112 HD12 LEU 112 -15.590 -13.546 -2.296 704 HD13 LEU 112 HD13 LEU 112 -16.028 -11.847 -2.457 705 HD21 LEU 112 HD23 LEU 112 -14.528 -10.352 -3.968 706 HD22 LEU 112 HD21 LEU 112 -13.103 -11.087 -4.701 707 HD23 LEU 112 HD22 LEU 112 -14.715 -11.555 -5.244 708 H ASN 113 HN ASN 113 -11.007 -13.104 -2.568 709 HA ASN 113 HA ASN 113 -10.620 -15.917 -2.779 710 HB2 ASN 113 HB2 ASN 113 -12.604 -15.834 -4.161 711 HB3 ASN 113 HB3 ASN 113 -11.950 -14.496 -5.092 712 HD21 ASN 113 HD21 ASN 113 -11.607 -17.916 -4.385 713 HD22 ASN 113 HD22 ASN 113 -10.776 -18.321 -5.845 714 H LYS 114 HN LYS 114 -10.115 -12.713 -4.066 715 HA LYS 114 HA LYS 114 -8.219 -11.526 -4.464 716 HB2 LYS 114 HB2 LYS 114 -6.658 -14.013 -3.754 717 HB3 LYS 114 HB3 LYS 114 -6.048 -12.364 -3.798 718 HG2 LYS 114 HG2 LYS 114 -7.582 -11.810 -1.925 719 HG3 LYS 114 HG3 LYS 114 -8.038 -13.514 -1.849 720 HD2 LYS 114 HD2 LYS 114 -5.494 -13.935 -1.647 721 HD3 LYS 114 HD3 LYS 114 -5.406 -12.228 -1.220 722 HE2 LYS 114 HE2 LYS 114 -5.576 -13.314 0.837 723 HE3 LYS 114 HE3 LYS 114 -7.219 -12.764 0.510 724 HZ1 LYS 114 HZ3 LYS 114 -7.779 -14.981 -0.268 725 HZ2 LYS 114 HZ1 LYS 114 -7.163 -15.047 1.306 726 HZ3 LYS 114 HZ2 LYS 114 -6.193 -15.503 0.002 727 HA PRO 115 HA PRO 115 -6.899 -12.623 -8.623 728 HB2 PRO 115 HB2 PRO 115 -4.104 -11.920 -7.962 729 HB3 PRO 115 HB3 PRO 115 -5.173 -11.230 -9.187 730 HG2 PRO 115 HG2 PRO 115 -4.540 -9.861 -6.976 731 HG3 PRO 115 HG3 PRO 115 -6.161 -9.762 -7.690 732 HD2 PRO 115 HD2 PRO 115 -5.235 -11.330 -5.309 733 HD3 PRO 115 HD3 PRO 115 -6.734 -10.402 -5.531 734 HA PRO 116 HA PRO 116 -5.288 -16.714 -8.040 735 HB2 PRO 116 HB2 PRO 116 -5.017 -17.425 -10.650 736 HB3 PRO 116 HB3 PRO 116 -6.572 -17.380 -9.811 737 HG2 PRO 116 HG2 PRO 116 -5.371 -15.400 -11.693 738 HG3 PRO 116 HG3 PRO 116 -7.057 -15.917 -11.533 739 HD2 PRO 116 HD2 PRO 116 -6.086 -13.572 -10.524 740 HD3 PRO 116 HD3 PRO 116 -7.481 -14.435 -9.846 741 H GLU 117 HN GLU 117 -3.402 -18.059 -8.739 742 HA GLU 117 HA GLU 117 -1.065 -16.297 -8.985 743 HB2 GLU 117 HB2 GLU 117 0.200 -18.199 -7.985 744 HB3 GLU 117 HB3 GLU 117 -1.073 -17.581 -6.944 745 HG2 GLU 117 HG2 GLU 117 -2.505 -19.442 -7.568 746 HG3 GLU 117 HG3 GLU 117 -1.262 -20.044 -8.659 747 H THR 118 HN THR 118 -2.615 -19.100 -10.446 748 HA THR 118 HA THR 118 -0.152 -19.850 -11.776 749 HB THR 118 HB THR 118 -1.601 -21.848 -12.490 750 HG1 THR 118 HG1 THR 118 -3.582 -21.938 -11.699 751 HG21 THR 118 HG23 THR 118 -1.003 -21.334 -9.574 752 HG22 THR 118 HG21 THR 118 0.128 -21.960 -10.771 753 HG23 THR 118 HG22 THR 118 -1.277 -22.919 -10.299 754 H LEU 119 HN LEU 119 -2.760 -17.901 -12.655 755 HA LEU 119 HA LEU 119 -1.967 -18.094 -15.411 756 HG LEU 119 HG LEU 119 -5.557 -17.715 -14.492 757 HB2 LEU 119 HB2 LEU 119 -4.099 -18.579 -16.393 758 HB3 LEU 119 HB3 LEU 119 -3.634 -19.884 -15.321 759 HD11 LEU 119 HD11 LEU 119 -6.183 -20.415 -15.676 760 HD12 LEU 119 HD12 LEU 119 -7.354 -19.274 -15.015 761 HD13 LEU 119 HD13 LEU 119 -6.442 -18.861 -16.468 762 HD21 LEU 119 HD23 LEU 119 -6.219 -19.355 -12.817 763 HD22 LEU 119 HD21 LEU 119 -5.034 -20.494 -13.458 764 HD23 LEU 119 HD22 LEU 119 -4.496 -18.994 -12.700 765 H ILE 120 HN ILE 120 -3.605 -16.706 -16.792 766 HA ILE 120 HA ILE 120 -4.353 -14.287 -15.313 767 HB ILE 120 HB ILE 120 -2.138 -13.812 -16.181 768 HG12 ILE 120 HG12 ILE 120 -4.232 -12.492 -17.924 769 HG13 ILE 120 HG13 ILE 120 -3.812 -12.001 -16.287 770 HG21 ILE 120 HG21 ILE 120 -1.598 -13.932 -18.556 771 HG22 ILE 120 HG22 ILE 120 -2.056 -15.516 -17.930 772 HG23 ILE 120 HG23 ILE 120 -3.200 -14.583 -18.898 773 HD11 ILE 120 HD13 ILE 120 -1.952 -11.961 -18.654 774 HD12 ILE 120 HD11 ILE 120 -2.793 -10.565 -17.978 775 HD13 ILE 120 HD12 ILE 120 -1.573 -11.410 -17.024 776 H THR 121 HN THR 121 -6.283 -13.434 -16.007 777 HA THR 121 HA THR 121 -7.276 -13.705 -18.644 778 HB THR 121 HB THR 121 -7.536 -16.068 -18.050 779 HG1 THR 121 HG1 THR 121 -10.080 -14.783 -18.096 780 HG21 THR 121 HG23 THR 121 -9.108 -16.771 -16.302 781 HG22 THR 121 HG21 THR 121 -9.327 -15.088 -15.826 782 HG23 THR 121 HG22 THR 121 -7.755 -15.864 -15.629 783 H THR 122 HN THR 122 -7.038 -11.659 -16.639 784 HA THR 122 HA THR 122 -9.869 -11.027 -16.175 785 HB THR 122 HB THR 122 -9.020 -9.410 -14.440 786 HG1 THR 122 HG1 THR 122 -6.937 -9.086 -14.575 787 HG21 THR 122 HG23 THR 122 -8.389 -12.335 -14.028 788 HG22 THR 122 HG21 THR 122 -9.944 -11.548 -13.754 789 HG23 THR 122 HG22 THR 122 -8.560 -11.145 -12.739 790 H ILE 123 HN ILE 123 -10.718 -9.226 -17.048 791 HA ILE 123 HA ILE 123 -9.077 -6.983 -17.723 792 HB ILE 123 HB ILE 123 -8.635 -8.200 -19.739 793 HG12 ILE 123 HG12 ILE 123 -10.734 -6.082 -20.255 794 HG13 ILE 123 HG13 ILE 123 -9.031 -5.777 -19.938 795 HG21 ILE 123 HG21 ILE 123 -11.614 -8.489 -20.107 796 HG22 ILE 123 HG22 ILE 123 -10.376 -8.988 -21.261 797 HG23 ILE 123 HG23 ILE 123 -10.487 -9.782 -19.693 798 HD11 ILE 123 HD13 ILE 123 -10.210 -7.170 -22.330 799 HD12 ILE 123 HD11 ILE 123 -9.454 -5.578 -22.286 800 HD13 ILE 123 HD12 ILE 123 -8.481 -7.023 -22.008 801 H ASP 124 HN ASP 124 -10.443 -5.991 -16.230 802 HA ASP 124 HA ASP 124 -13.183 -5.554 -16.442 803 HB2 ASP 124 HB2 ASP 124 -11.906 -4.686 -14.580 804 HB3 ASP 124 HB3 ASP 124 -10.954 -3.659 -15.647 805 H SER 125 HN SER 125 -10.678 -3.380 -17.686 806 HA SER 125 HA SER 125 -11.765 -3.165 -20.283 807 HG SER 125 HG SER 125 -11.743 -0.437 -20.789 808 HB2 SER 125 HB2 SER 125 -13.471 -1.830 -19.030 809 HB3 SER 125 HB3 SER 125 -12.180 -0.761 -18.486 810 H SER 126 HN SER 126 -10.131 -1.137 -17.860 811 HA SER 126 HA SER 126 -7.908 -0.767 -19.746 812 HG SER 126 HG SER 126 -8.754 1.754 -19.934 813 HB2 SER 126 HB2 SER 126 -8.623 0.833 -17.271 814 HB3 SER 126 HB3 SER 126 -7.313 1.199 -18.394 815 H SER 127 HN SER 127 -7.311 -3.024 -19.109 816 HA SER 127 HA SER 127 -5.853 -4.451 -18.123 817 HG SER 127 HG SER 127 -4.610 -3.173 -19.637 818 HB2 SER 127 HB2 SER 127 -4.543 -1.914 -17.129 819 HB3 SER 127 HB3 SER 127 -3.773 -3.490 -17.304 820 H SER 128 HN SER 128 -7.741 -4.981 -16.710 821 HA SER 128 HA SER 128 -6.789 -4.945 -13.970 822 HG SER 128 HG SER 128 -8.459 -5.092 -12.397 823 HB2 SER 128 HB2 SER 128 -8.510 -3.097 -14.220 824 HB3 SER 128 HB3 SER 128 -9.691 -4.347 -14.610 825 HHA HEM 129 HHA HEM 129 -6.215 17.500 -6.090 826 HHB HEM 129 HHB HEM 129 -2.371 12.315 -5.948 827 HHC HEM 129 HHC HEM 129 -5.455 10.210 -0.758 828 HHD HEM 129 HHD HEM 129 -9.504 15.232 -1.034 829 HAB HEM 129 HAB HEM 129 -2.831 9.307 -0.755 830 HAC HEM 129 HAC HEM 129 -10.283 13.766 0.686 831 HMA1 HEM 129 HMA1 HEM 129 -2.067 15.308 -8.455 832 HMA2 HEM 129 HMA2 HEM 129 -1.277 14.448 -7.132 833 HMA3 HEM 129 HMA3 HEM 129 -2.314 13.576 -8.274 834 HAA1 HEM 129 HAA1 HEM 129 -3.661 17.559 -8.096 835 HAA2 HEM 129 HAA2 HEM 129 -3.855 16.207 -8.703 836 HBA1 HEM 129 HBA1 HEM 129 -5.879 17.762 -9.286 837 HBA2 HEM 129 HBA2 HEM 129 -6.437 16.209 -8.624 838 HMB1 HEM 129 HMB1 HEM 129 -0.567 10.693 -3.884 839 HMB2 HEM 129 HMB2 HEM 129 -1.563 9.611 -5.062 840 HMB3 HEM 129 HMB3 HEM 129 -1.471 9.553 -3.540 841 HBB1 HEM 129 HBB1 HEM 129 -3.625 7.791 -3.277 842 HBB2 HEM 129 HBB2 HEM 129 -3.055 7.096 -1.635 843 HMC1 HEM 129 HMC1 HEM 129 -7.864 11.045 1.982 844 HMC2 HEM 129 HMC2 HEM 129 -8.003 9.882 0.655 845 HMC3 HEM 129 HMC3 HEM 129 -6.400 10.443 1.244 846 HBC1 HEM 129 HBC1 HEM 129 -10.083 13.354 3.013 847 HBC2 HEM 129 HBC2 HEM 129 -8.410 12.590 2.804 848 HMD1 HEM 129 HMD1 HEM 129 -10.342 17.206 -1.414 849 HMD2 HEM 129 HMD2 HEM 129 -10.538 18.427 -2.823 850 HMD3 HEM 129 HMD3 HEM 129 -9.331 18.213 -1.938 851 HAD1 HEM 129 HAD1 HEM 129 -8.801 18.183 -6.213 852 HAD2 HEM 129 HAD2 HEM 129 -9.666 18.184 -5.004 853 HBD1 HEM 129 HBD1 HEM 129 -9.007 19.866 -3.619 854 HBD2 HEM 129 HBD2 HEM 129 -9.958 20.117 -5.101 Start of MODEL 9 1 HA MET 21 HA MET 21 10.472 -4.468 9.724 2 H1 MET 21 1H MET 21 13.365 -4.429 10.198 3 HB2 MET 21 HB2 MET 21 12.636 -3.877 7.693 4 HB3 MET 21 HB3 MET 21 10.936 -4.115 7.313 5 HG2 MET 21 HG2 MET 21 10.344 -2.169 8.640 6 HG3 MET 21 HG3 MET 21 12.039 -1.940 9.073 7 HE1 MET 21 HE3 MET 21 13.495 -2.675 6.286 8 HE2 MET 21 HE1 MET 21 13.656 -1.063 5.586 9 HE3 MET 21 HE2 MET 21 13.950 -1.311 7.308 10 H ALA 22 HN ALA 22 10.605 -5.872 7.277 11 HA ALA 22 HA ALA 22 11.984 -8.356 7.916 12 HB1 ALA 22 HB3 ALA 22 9.737 -8.543 8.919 13 HB2 ALA 22 HB1 ALA 22 9.029 -8.284 7.323 14 HB3 ALA 22 HB2 ALA 22 10.014 -9.713 7.630 15 H GLU 23 HN GLU 23 13.274 -7.663 6.118 16 HA GLU 23 HA GLU 23 11.929 -8.132 3.544 17 HB2 GLU 23 HB2 GLU 23 13.998 -6.559 2.813 18 HB3 GLU 23 HB3 GLU 23 12.375 -5.967 3.125 19 HG2 GLU 23 HG2 GLU 23 13.979 -4.547 4.211 20 HG3 GLU 23 HG3 GLU 23 13.060 -5.409 5.440 21 H GLN 24 HN GLN 24 14.684 -8.674 5.546 22 HA GLN 24 HA GLN 24 16.662 -9.391 3.709 23 HB2 GLN 24 HB2 GLN 24 16.951 -9.093 6.170 24 HB3 GLN 24 HB3 GLN 24 16.198 -10.663 6.406 25 HG2 GLN 24 HG2 GLN 24 18.104 -11.454 4.761 26 HG3 GLN 24 HG3 GLN 24 18.900 -9.994 5.344 27 HE21 GLN 24 HE21 GLN 24 17.765 -13.158 6.145 28 HE22 GLN 24 HE22 GLN 24 18.562 -13.290 7.675 29 H SER 25 HN SER 25 14.024 -11.364 4.907 30 HA SER 25 HA SER 25 15.130 -13.895 4.857 31 HG SER 25 HG SER 25 12.323 -15.442 4.194 32 HB2 SER 25 HB2 SER 25 12.838 -13.224 5.737 33 HB3 SER 25 HB3 SER 25 12.268 -13.344 4.071 34 H ASP 26 HN ASP 26 12.975 -12.674 2.304 35 HA ASP 26 HA ASP 26 14.666 -13.896 0.276 36 HB2 ASP 26 HB2 ASP 26 13.024 -15.646 0.835 37 HB3 ASP 26 HB3 ASP 26 11.706 -14.528 0.529 38 H GLU 27 HN GLU 27 11.325 -12.847 -0.095 39 HA GLU 27 HA GLU 27 11.453 -10.147 -0.009 40 HB2 GLU 27 HB2 GLU 27 13.083 -10.645 -2.072 41 HB3 GLU 27 HB3 GLU 27 11.556 -10.674 -2.945 42 HG2 GLU 27 HG2 GLU 27 11.061 -8.439 -2.325 43 HG3 GLU 27 HG3 GLU 27 12.383 -8.404 -1.159 44 H ALA 28 HN ALA 28 9.554 -9.122 -1.350 45 HA ALA 28 HA ALA 28 7.584 -10.680 -2.575 46 HB1 ALA 28 HB3 ALA 28 5.928 -10.978 -0.857 47 HB2 ALA 28 HB1 ALA 28 7.427 -11.730 -0.310 48 HB3 ALA 28 HB2 ALA 28 6.945 -10.158 0.328 49 H VAL 29 HN VAL 29 5.281 -9.491 -2.116 50 HA VAL 29 HA VAL 29 5.613 -6.648 -2.464 51 HB VAL 29 HB VAL 29 3.029 -8.136 -1.896 52 HG11 VAL 29 HG11 VAL 29 3.029 -5.670 -1.660 53 HG12 VAL 29 HG12 VAL 29 3.532 -5.538 -3.343 54 HG13 VAL 29 HG13 VAL 29 1.963 -6.240 -2.946 55 HG21 VAL 29 HG23 VAL 29 4.149 -9.142 -3.836 56 HG22 VAL 29 HG21 VAL 29 2.682 -8.280 -4.298 57 HG23 VAL 29 HG22 VAL 29 4.260 -7.549 -4.588 58 H LYS 30 HN LYS 30 5.669 -5.185 -0.790 59 HA LYS 30 HA LYS 30 5.696 -6.141 1.874 60 HB2 LYS 30 HB2 LYS 30 5.686 -3.345 0.755 61 HB3 LYS 30 HB3 LYS 30 5.629 -3.652 2.485 62 HG2 LYS 30 HG2 LYS 30 7.745 -4.899 2.296 63 HG3 LYS 30 HG3 LYS 30 7.809 -4.476 0.585 64 HD2 LYS 30 HD2 LYS 30 7.711 -2.463 2.832 65 HD3 LYS 30 HD3 LYS 30 9.195 -3.012 2.055 66 HE2 LYS 30 HE2 LYS 30 8.391 -2.154 -0.090 67 HE3 LYS 30 HE3 LYS 30 6.899 -1.621 0.680 68 HZ1 LYS 30 HZ3 LYS 30 8.080 -0.036 1.961 69 HZ2 LYS 30 HZ1 LYS 30 8.604 0.140 0.360 70 HZ3 LYS 30 HZ2 LYS 30 9.588 -0.658 1.486 71 H TYR 31 HN TYR 31 3.999 -6.823 2.894 72 HA TYR 31 HA TYR 31 1.440 -5.467 2.471 73 HD1 TYR 31 HD2 TYR 31 0.184 -6.758 0.878 74 HD2 TYR 31 HD1 TYR 31 2.546 -9.876 2.551 75 HE1 TYR 31 HE2 TYR 31 0.138 -7.935 -1.274 76 HE2 TYR 31 HE1 TYR 31 2.506 -11.067 0.400 77 HH TYR 31 HH TYR 31 1.092 -11.153 -1.641 78 HB2 TYR 31 HB2 TYR 31 1.979 -8.086 3.881 79 HB3 TYR 31 HB3 TYR 31 0.397 -7.396 3.549 80 H TYR 32 HN TYR 32 0.241 -4.675 4.202 81 HA TYR 32 HA TYR 32 1.516 -4.792 6.845 82 HD1 TYR 32 HD2 TYR 32 1.603 -2.166 3.712 83 HD2 TYR 32 HD1 TYR 32 3.245 -2.419 7.630 84 HE1 TYR 32 HE2 TYR 32 3.780 -1.387 2.853 85 HE2 TYR 32 HE1 TYR 32 5.411 -1.631 6.784 86 HH TYR 32 HH TYR 32 6.641 -1.582 4.625 87 HB2 TYR 32 HB2 TYR 32 0.151 -2.362 5.661 88 HB3 TYR 32 HB3 TYR 32 0.834 -2.476 7.280 89 H THR 33 HN THR 33 -0.021 -4.633 8.645 90 HA THR 33 HA THR 33 -2.487 -5.981 7.935 91 HB THR 33 HB THR 33 -2.918 -5.998 10.397 92 HG1 THR 33 HG1 THR 33 -0.326 -4.797 10.542 93 HG21 THR 33 HG23 THR 33 -1.169 -7.590 10.970 94 HG22 THR 33 HG21 THR 33 -0.178 -7.012 9.632 95 HG23 THR 33 HG22 THR 33 -1.694 -7.852 9.306 96 H LEU 34 HN LEU 34 -4.631 -5.200 8.486 97 HA LEU 34 HA LEU 34 -5.106 -2.518 7.851 98 HG LEU 34 HG LEU 34 -7.700 -2.174 9.725 99 HB2 LEU 34 HB2 LEU 34 -6.819 -4.242 7.706 100 HB3 LEU 34 HB3 LEU 34 -6.800 -4.458 9.440 101 HD11 LEU 34 HD11 LEU 34 -7.839 -2.172 6.713 102 HD12 LEU 34 HD12 LEU 34 -8.548 -0.958 7.780 103 HD13 LEU 34 HD13 LEU 34 -6.797 -1.160 7.712 104 HD21 LEU 34 HD23 LEU 34 -9.189 -4.114 9.607 105 HD22 LEU 34 HD21 LEU 34 -9.947 -2.666 8.939 106 HD23 LEU 34 HD22 LEU 34 -9.311 -3.908 7.860 107 H GLU 35 HN GLU 35 -4.620 -4.140 10.857 108 HA GLU 35 HA GLU 35 -5.629 -2.290 12.678 109 HB2 GLU 35 HB2 GLU 35 -5.180 -4.661 13.183 110 HB3 GLU 35 HB3 GLU 35 -3.450 -4.346 13.089 111 HG2 GLU 35 HG2 GLU 35 -3.862 -2.598 14.907 112 HG3 GLU 35 HG3 GLU 35 -5.422 -3.387 15.128 113 H GLU 36 HN GLU 36 -2.377 -2.710 11.386 114 HA GLU 36 HA GLU 36 -1.170 -1.023 13.346 115 HB2 GLU 36 HB2 GLU 36 0.894 -1.475 12.208 116 HB3 GLU 36 HB3 GLU 36 -0.035 -2.965 12.258 117 HG2 GLU 36 HG2 GLU 36 -0.737 -2.550 9.919 118 HG3 GLU 36 HG3 GLU 36 0.303 -1.130 9.900 119 H ILE 37 HN ILE 37 -2.642 -0.558 10.318 120 HA ILE 37 HA ILE 37 -1.294 1.854 9.585 121 HB ILE 37 HB ILE 37 -3.884 0.640 8.582 122 HG12 ILE 37 HG12 ILE 37 -1.118 0.626 7.377 123 HG13 ILE 37 HG13 ILE 37 -1.796 -0.709 8.302 124 HG21 ILE 37 HG21 ILE 37 -2.200 2.800 7.304 125 HG22 ILE 37 HG22 ILE 37 -3.681 2.090 6.660 126 HG23 ILE 37 HG23 ILE 37 -3.737 3.064 8.129 127 HD11 ILE 37 HD13 ILE 37 -2.885 0.395 5.726 128 HD12 ILE 37 HD11 ILE 37 -1.966 -1.099 5.911 129 HD13 ILE 37 HD12 ILE 37 -3.567 -0.951 6.639 130 H GLN 38 HN GLN 38 -3.981 0.992 11.562 131 HA GLN 38 HA GLN 38 -5.098 3.586 11.926 132 HB2 GLN 38 HB2 GLN 38 -5.075 1.077 13.601 133 HB3 GLN 38 HB3 GLN 38 -5.835 2.558 14.165 134 HG2 GLN 38 HG2 GLN 38 -6.549 1.302 11.541 135 HG3 GLN 38 HG3 GLN 38 -7.322 0.832 13.054 136 HE21 GLN 38 HE21 GLN 38 -6.840 3.448 10.770 137 HE22 GLN 38 HE22 GLN 38 -8.206 4.382 11.287 138 H LYS 39 HN LYS 39 -2.238 2.055 12.906 139 HA LYS 39 HA LYS 39 -1.692 3.821 15.161 140 HB2 LYS 39 HB2 LYS 39 -1.106 1.265 14.864 141 HB3 LYS 39 HB3 LYS 39 0.276 1.892 13.979 142 HG2 LYS 39 HG2 LYS 39 0.891 1.445 16.255 143 HG3 LYS 39 HG3 LYS 39 0.940 3.188 15.970 144 HD2 LYS 39 HD2 LYS 39 -0.067 2.714 18.125 145 HD3 LYS 39 HD3 LYS 39 -1.300 3.348 17.028 146 HE2 LYS 39 HE2 LYS 39 -2.276 1.481 18.131 147 HE3 LYS 39 HE3 LYS 39 -1.882 0.977 16.488 148 HZ1 LYS 39 HZ3 LYS 39 -0.308 0.348 18.920 149 HZ2 LYS 39 HZ1 LYS 39 0.135 -0.090 17.344 150 HZ3 LYS 39 HZ2 LYS 39 -1.270 -0.732 18.046 151 H HIS 40 HN HIS 40 -1.589 4.056 11.928 152 HA HIS 40 HA HIS 40 0.837 5.728 11.888 153 HD1 HIS 40 HD1 HIS 40 0.731 1.647 9.758 154 HD2 HIS 40 HD2 HIS 40 3.026 4.420 11.832 155 HE1 HIS 40 HE1 HIS 40 2.656 0.342 10.712 156 HE2 HIS 40 HE2 HIS 40 4.000 2.028 12.018 157 HB2 HIS 40 HB2 HIS 40 -0.268 3.918 9.717 158 HB3 HIS 40 HB3 HIS 40 1.037 5.071 9.467 159 H ASN 41 HN ASN 41 -1.676 6.661 12.604 160 HA ASN 41 HA ASN 41 -2.788 7.972 10.200 161 HB2 ASN 41 HB2 ASN 41 -4.925 7.920 11.309 162 HB3 ASN 41 HB3 ASN 41 -4.221 6.311 11.422 163 HD21 ASN 41 HD21 ASN 41 -6.264 7.456 13.054 164 HD22 ASN 41 HD22 ASN 41 -5.680 7.464 14.678 165 H HIS 42 HN HIS 42 -0.567 9.024 11.879 166 HA HIS 42 HA HIS 42 -1.872 11.356 13.078 167 HD1 HIS 42 HD1 HIS 42 1.906 10.116 13.929 168 HD2 HIS 42 HD2 HIS 42 -0.749 7.447 15.681 169 HE1 HIS 42 HE1 HIS 42 3.260 8.068 14.439 170 HE2 HIS 42 HE2 HIS 42 1.573 6.390 15.294 171 HB2 HIS 42 HB2 HIS 42 -0.549 11.056 15.174 172 HB3 HIS 42 HB3 HIS 42 -1.769 9.817 14.916 173 H SER 43 HN SER 43 0.125 12.556 14.334 174 HA SER 43 HA SER 43 1.430 14.102 12.578 175 HG SER 43 HG SER 43 3.075 15.620 13.938 176 HB2 SER 43 HB2 SER 43 1.387 14.595 14.952 177 HB3 SER 43 HB3 SER 43 2.436 13.221 15.294 178 H LYS 44 HN LYS 44 3.154 11.474 14.241 179 HA LYS 44 HA LYS 44 5.553 11.845 12.874 180 HB2 LYS 44 HB2 LYS 44 5.277 10.702 15.085 181 HB3 LYS 44 HB3 LYS 44 4.631 9.310 14.237 182 HG2 LYS 44 HG2 LYS 44 7.016 9.094 14.885 183 HG3 LYS 44 HG3 LYS 44 6.713 8.896 13.159 184 HD2 LYS 44 HD2 LYS 44 8.696 10.240 13.484 185 HD3 LYS 44 HD3 LYS 44 7.416 11.235 12.795 186 HE2 LYS 44 HE2 LYS 44 6.947 12.129 15.047 187 HE3 LYS 44 HE3 LYS 44 8.278 11.160 15.682 188 HZ1 LYS 44 HZ3 LYS 44 9.805 12.349 14.239 189 HZ2 LYS 44 HZ1 LYS 44 8.976 13.437 15.239 190 HZ3 LYS 44 HZ2 LYS 44 8.537 13.278 13.614 191 H SER 45 HN SER 45 2.735 10.233 11.798 192 HA SER 45 HA SER 45 3.912 9.524 9.331 193 HG SER 45 HG SER 45 4.167 7.181 8.506 194 HB2 SER 45 HB2 SER 45 4.830 7.660 10.636 195 HB3 SER 45 HB3 SER 45 3.212 7.233 11.181 196 H THR 46 HN THR 46 2.331 9.701 7.862 197 HA THR 46 HA THR 46 -0.444 9.208 8.727 198 HB THR 46 HB THR 46 0.480 11.243 6.677 199 HG1 THR 46 HG1 THR 46 0.602 11.395 9.270 200 HG21 THR 46 HG23 THR 46 -1.856 12.075 6.834 201 HG22 THR 46 HG21 THR 46 -2.251 10.696 7.859 202 HG23 THR 46 HG22 THR 46 -1.763 10.438 6.185 203 H TRP 47 HN TRP 47 -0.941 7.274 7.898 204 HA TRP 47 HA TRP 47 -0.279 6.751 5.080 205 HD1 TRP 47 HD1 TRP 47 1.835 6.719 5.996 206 HE1 TRP 47 HE1 TRP 47 4.071 5.468 6.220 207 HE3 TRP 47 HE3 TRP 47 0.020 2.068 7.042 208 HZ2 TRP 47 HZ2 TRP 47 4.935 2.818 6.802 209 HZ3 TRP 47 HZ3 TRP 47 1.612 0.230 7.428 210 HH2 TRP 47 HH2 TRP 47 4.016 0.600 7.308 211 HB2 TRP 47 HB2 TRP 47 -0.887 4.882 7.370 212 HB3 TRP 47 HB3 TRP 47 -0.943 4.350 5.697 213 H LEU 48 HN LEU 48 -1.961 5.478 3.908 214 HA LEU 48 HA LEU 48 -4.623 5.480 5.008 215 HG LEU 48 HG LEU 48 -3.758 6.325 1.473 216 HB2 LEU 48 HB2 LEU 48 -5.695 6.647 3.163 217 HB3 LEU 48 HB3 LEU 48 -4.592 7.706 4.014 218 HD11 LEU 48 HD11 LEU 48 -5.825 7.516 0.979 219 HD12 LEU 48 HD12 LEU 48 -5.174 8.978 1.723 220 HD13 LEU 48 HD13 LEU 48 -4.438 8.331 0.255 221 HD21 LEU 48 HD23 LEU 48 -2.888 8.883 2.821 222 HD22 LEU 48 HD21 LEU 48 -1.993 7.361 2.809 223 HD23 LEU 48 HD22 LEU 48 -2.250 8.247 1.306 224 H ILE 49 HN ILE 49 -6.160 4.500 3.269 225 HA ILE 49 HA ILE 49 -4.674 2.595 1.591 226 HB ILE 49 HB ILE 49 -7.147 1.924 3.208 227 HG12 ILE 49 HG12 ILE 49 -4.301 0.965 3.610 228 HG13 ILE 49 HG13 ILE 49 -5.104 2.169 4.613 229 HG21 ILE 49 HG21 ILE 49 -7.111 0.666 1.167 230 HG22 ILE 49 HG22 ILE 49 -5.414 0.249 1.399 231 HG23 ILE 49 HG23 ILE 49 -6.639 -0.410 2.483 232 HD11 ILE 49 HD13 ILE 49 -5.120 0.011 5.699 233 HD12 ILE 49 HD11 ILE 49 -6.766 0.478 5.267 234 HD13 ILE 49 HD12 ILE 49 -5.904 -0.714 4.296 235 H LEU 50 HN LEU 50 -5.429 2.438 -0.455 236 HA LEU 50 HA LEU 50 -8.188 3.321 -0.992 237 HG LEU 50 HG LEU 50 -5.886 5.600 -1.144 238 HB2 LEU 50 HB2 LEU 50 -5.763 3.792 -2.739 239 HB3 LEU 50 HB3 LEU 50 -7.415 4.062 -3.249 240 HD11 LEU 50 HD11 LEU 50 -5.414 6.171 -3.492 241 HD12 LEU 50 HD12 LEU 50 -7.132 6.465 -3.753 242 HD13 LEU 50 HD13 LEU 50 -6.223 7.483 -2.636 243 HD21 LEU 50 HD23 LEU 50 -8.196 5.284 -0.408 244 HD22 LEU 50 HD21 LEU 50 -7.877 6.958 -0.863 245 HD23 LEU 50 HD22 LEU 50 -8.770 5.902 -1.957 246 H HIS 51 HN HIS 51 -8.971 1.192 -0.954 247 HA HIS 51 HA HIS 51 -9.572 -0.793 -1.951 248 HD1 HIS 51 HD1 HIS 51 -10.522 -0.719 -6.025 249 HD2 HIS 51 HD2 HIS 51 -10.452 2.155 -3.022 250 HE1 HIS 51 HE1 HIS 51 -12.535 0.738 -6.434 251 HE2 HIS 51 HE2 HIS 51 -12.335 2.607 -4.754 252 HB2 HIS 51 HB2 HIS 51 -7.981 0.370 -4.238 253 HB3 HIS 51 HB3 HIS 51 -8.779 -1.190 -4.337 254 H HIS 52 HN HIS 52 -7.956 -1.492 -0.161 255 HA HIS 52 HA HIS 52 -6.461 -3.082 0.516 256 HD1 HIS 52 HD1 HIS 52 -8.352 -4.941 -2.842 257 HD2 HIS 52 HD2 HIS 52 -6.521 -5.893 0.773 258 HE1 HIS 52 HE1 HIS 52 -9.702 -6.845 -1.864 259 HE2 HIS 52 HE2 HIS 52 -8.488 -7.477 0.259 260 HB2 HIS 52 HB2 HIS 52 -6.332 -3.577 -2.433 261 HB3 HIS 52 HB3 HIS 52 -5.146 -4.325 -1.374 262 H LYS 53 HN LYS 53 -5.285 -1.030 -2.126 263 HA LYS 53 HA LYS 53 -2.567 -1.346 -1.467 264 HB2 LYS 53 HB2 LYS 53 -3.815 0.967 -2.935 265 HB3 LYS 53 HB3 LYS 53 -2.115 0.524 -2.916 266 HG2 LYS 53 HG2 LYS 53 -4.322 -1.184 -4.054 267 HG3 LYS 53 HG3 LYS 53 -3.243 -0.147 -4.980 268 HD2 LYS 53 HD2 LYS 53 -1.323 -1.438 -4.076 269 HD3 LYS 53 HD3 LYS 53 -2.481 -2.537 -3.329 270 HE2 LYS 53 HE2 LYS 53 -1.667 -3.445 -5.426 271 HE3 LYS 53 HE3 LYS 53 -3.387 -3.081 -5.539 272 HZ1 LYS 53 HZ3 LYS 53 -1.178 -1.399 -6.597 273 HZ2 LYS 53 HZ1 LYS 53 -2.826 -1.017 -6.702 274 HZ3 LYS 53 HZ2 LYS 53 -2.206 -2.367 -7.519 275 H VAL 54 HN VAL 54 -1.520 -0.643 0.253 276 HA VAL 54 HA VAL 54 -2.577 1.569 1.822 277 HB VAL 54 HB VAL 54 -1.692 -0.402 2.976 278 HG11 VAL 54 HG11 VAL 54 0.932 0.339 1.714 279 HG12 VAL 54 HG12 VAL 54 0.743 -0.803 3.044 280 HG13 VAL 54 HG13 VAL 54 0.007 -1.146 1.481 281 HG21 VAL 54 HG23 VAL 54 -1.650 1.744 4.116 282 HG22 VAL 54 HG21 VAL 54 -0.261 0.765 4.592 283 HG23 VAL 54 HG22 VAL 54 -0.056 2.087 3.443 284 H TYR 55 HN TYR 55 -1.720 3.585 1.891 285 HA TYR 55 HA TYR 55 0.581 4.098 0.129 286 HD1 TYR 55 HD2 TYR 55 -3.252 4.105 -0.324 287 HD2 TYR 55 HD1 TYR 55 -0.069 5.925 -2.468 288 HE1 TYR 55 HE2 TYR 55 -4.280 3.387 -2.438 289 HE2 TYR 55 HE1 TYR 55 -1.084 5.220 -4.589 290 HH TYR 55 HH TYR 55 -4.274 3.895 -4.763 291 HB2 TYR 55 HB2 TYR 55 -1.808 5.860 0.674 292 HB3 TYR 55 HB3 TYR 55 -0.369 6.394 -0.178 293 H ASP 56 HN ASP 56 2.025 5.742 0.743 294 HA ASP 56 HA ASP 56 1.833 6.615 3.554 295 HB2 ASP 56 HB2 ASP 56 3.746 5.089 3.211 296 HB3 ASP 56 HB3 ASP 56 4.344 6.114 1.914 297 H LEU 57 HN LEU 57 1.691 8.817 3.827 298 HA LEU 57 HA LEU 57 2.474 10.424 1.497 299 HG LEU 57 HG LEU 57 -0.649 9.916 2.748 300 HB2 LEU 57 HB2 LEU 57 0.867 11.407 3.850 301 HB3 LEU 57 HB3 LEU 57 1.195 12.267 2.366 302 HD11 LEU 57 HD11 LEU 57 -1.502 12.159 3.308 303 HD12 LEU 57 HD12 LEU 57 -1.129 12.675 1.663 304 HD13 LEU 57 HD13 LEU 57 -2.332 11.418 1.939 305 HD21 LEU 57 HD23 LEU 57 0.630 9.584 0.687 306 HD22 LEU 57 HD21 LEU 57 -1.052 9.994 0.342 307 HD23 LEU 57 HD22 LEU 57 0.209 11.215 0.166 308 H THR 58 HN THR 58 2.453 10.659 5.011 309 HA THR 58 HA THR 58 3.729 11.817 6.481 310 HB THR 58 HB THR 58 6.114 11.108 6.521 311 HG1 THR 58 HG1 THR 58 5.546 9.416 4.304 312 HG21 THR 58 HG23 THR 58 4.376 9.752 7.572 313 HG22 THR 58 HG21 THR 58 5.642 8.729 6.895 314 HG23 THR 58 HG22 THR 58 4.104 8.903 6.052 315 H LYS 59 HN LYS 59 6.185 11.932 4.003 316 HA LYS 59 HA LYS 59 6.854 14.646 4.405 317 HB2 LYS 59 HB2 LYS 59 7.432 12.674 2.184 318 HB3 LYS 59 HB3 LYS 59 8.118 14.294 2.216 319 HG2 LYS 59 HG2 LYS 59 9.545 13.809 3.922 320 HG3 LYS 59 HG3 LYS 59 8.451 12.634 4.649 321 HD2 LYS 59 HD2 LYS 59 9.912 12.134 2.064 322 HD3 LYS 59 HD3 LYS 59 10.572 11.703 3.644 323 HE2 LYS 59 HE2 LYS 59 8.423 10.416 4.040 324 HE3 LYS 59 HE3 LYS 59 8.070 10.658 2.331 325 HZ1 LYS 59 HZ3 LYS 59 9.106 8.512 2.748 326 HZ2 LYS 59 HZ1 LYS 59 10.466 9.265 3.417 327 HZ3 LYS 59 HZ2 LYS 59 10.101 9.471 1.773 328 H PHE 60 HN PHE 60 4.646 13.004 2.298 329 HA PHE 60 HA PHE 60 4.393 14.883 0.236 330 HD1 PHE 60 HD2 PHE 60 3.983 14.286 -1.949 331 HD2 PHE 60 HD1 PHE 60 0.433 12.859 -0.077 332 HE1 PHE 60 HE2 PHE 60 2.698 14.833 -3.976 333 HE2 PHE 60 HE1 PHE 60 -0.850 13.396 -2.101 334 HZ PHE 60 HZ PHE 60 0.274 14.379 -4.050 335 HB2 PHE 60 HB2 PHE 60 3.826 12.477 0.104 336 HB3 PHE 60 HB3 PHE 60 2.406 12.794 1.093 337 H LEU 61 HN LEU 61 3.179 14.991 3.353 338 HA LEU 61 HA LEU 61 0.544 15.843 3.164 339 HG LEU 61 HG LEU 61 2.000 14.067 5.178 340 HB2 LEU 61 HB2 LEU 61 2.664 16.408 5.219 341 HB3 LEU 61 HB3 LEU 61 0.996 16.906 5.421 342 HD11 LEU 61 HD11 LEU 61 2.472 15.022 7.347 343 HD12 LEU 61 HD12 LEU 61 0.808 15.586 7.499 344 HD13 LEU 61 HD13 LEU 61 1.156 13.857 7.485 345 HD21 LEU 61 HD23 LEU 61 -0.149 14.320 4.075 346 HD22 LEU 61 HD21 LEU 61 -0.323 13.411 5.576 347 HD23 LEU 61 HD22 LEU 61 -0.811 15.104 5.509 348 H GLU 62 HN GLU 62 3.463 17.709 2.781 349 HA GLU 62 HA GLU 62 1.975 20.223 2.919 350 HB2 GLU 62 HB2 GLU 62 4.187 21.289 2.931 351 HB3 GLU 62 HB3 GLU 62 4.039 20.092 4.206 352 HG2 GLU 62 HG2 GLU 62 5.354 18.519 2.942 353 HG3 GLU 62 HG3 GLU 62 5.426 19.628 1.572 354 H GLU 63 HN GLU 63 2.376 18.049 0.629 355 HA GLU 63 HA GLU 63 2.949 19.963 -1.545 356 HB2 GLU 63 HB2 GLU 63 3.777 17.073 -1.268 357 HB3 GLU 63 HB3 GLU 63 3.945 18.002 -2.751 358 HG2 GLU 63 HG2 GLU 63 5.164 18.975 -0.199 359 HG3 GLU 63 HG3 GLU 63 5.975 17.754 -1.176 360 H HIS 64 HN HIS 64 0.431 18.855 -0.265 361 HA HIS 64 HA HIS 64 -0.801 17.925 -2.732 362 HD1 HIS 64 HD1 HIS 64 -3.722 16.591 0.348 363 HD2 HIS 64 HD2 HIS 64 -2.429 15.041 -3.334 364 HE1 HIS 64 HE1 HIS 64 -5.710 15.368 -0.682 365 HB2 HIS 64 HB3 HIS 64 -0.496 15.980 -1.345 366 HB3 HIS 64 HB2 HIS 64 -1.191 16.767 0.035 367 HA PRO 65 HA PRO 65 -3.077 21.731 -2.068 368 HB2 PRO 65 HB2 PRO 65 -5.238 20.836 -3.652 369 HB3 PRO 65 HB3 PRO 65 -3.876 21.831 -4.164 370 HG2 PRO 65 HG2 PRO 65 -4.290 18.902 -4.434 371 HG3 PRO 65 HG3 PRO 65 -3.434 20.023 -5.508 372 HD2 PRO 65 HD2 PRO 65 -2.094 18.333 -3.946 373 HD3 PRO 65 HD3 PRO 65 -1.506 19.992 -4.199 374 H GLY 66 HN GLY 66 -4.556 18.596 -1.665 375 HA2 GLY 66 HA1 GLY 66 -7.144 19.309 -0.943 376 HA3 GLY 66 HA2 GLY 66 -6.360 17.798 -0.525 377 H GLY 67 HN GLY 67 -4.271 19.332 1.019 378 HA2 GLY 67 HA1 GLY 67 -4.543 20.974 2.886 379 HA3 GLY 67 HA2 GLY 67 -5.977 20.053 3.313 380 H GLU 68 HN GLU 68 -4.940 19.881 5.405 381 HA GLU 68 HA GLU 68 -3.043 17.631 5.490 382 HB2 GLU 68 HB2 GLU 68 -1.988 19.707 6.254 383 HB3 GLU 68 HB3 GLU 68 -3.306 19.991 7.379 384 HG2 GLU 68 HG2 GLU 68 -1.785 17.464 7.660 385 HG3 GLU 68 HG3 GLU 68 -0.981 18.964 8.121 386 H GLU 69 HN GLU 69 -5.203 19.392 7.615 387 HA GLU 69 HA GLU 69 -5.879 17.481 9.430 388 HB2 GLU 69 HB2 GLU 69 -7.621 19.710 8.365 389 HB3 GLU 69 HB3 GLU 69 -7.887 18.849 9.873 390 HG2 GLU 69 HG2 GLU 69 -5.834 19.710 10.780 391 HG3 GLU 69 HG3 GLU 69 -5.441 20.482 9.244 392 H VAL 70 HN VAL 70 -7.485 18.166 6.338 393 HA VAL 70 HA VAL 70 -9.651 16.366 6.983 394 HB VAL 70 HB VAL 70 -10.540 16.996 4.732 395 HG11 VAL 70 HG11 VAL 70 -11.139 19.281 5.408 396 HG12 VAL 70 HG12 VAL 70 -11.226 18.151 6.761 397 HG13 VAL 70 HG13 VAL 70 -9.854 19.251 6.618 398 HG21 VAL 70 HG23 VAL 70 -8.402 17.502 3.653 399 HG22 VAL 70 HG21 VAL 70 -9.506 18.874 3.561 400 HG23 VAL 70 HG22 VAL 70 -8.182 18.880 4.728 401 H LEU 71 HN LEU 71 -6.632 16.089 5.463 402 HA LEU 71 HA LEU 71 -7.222 13.769 3.890 403 HG LEU 71 HG LEU 71 -5.066 16.358 3.700 404 HB2 LEU 71 HB2 LEU 71 -4.607 14.583 5.194 405 HB3 LEU 71 HB3 LEU 71 -4.788 13.371 3.939 406 HD11 LEU 71 HD11 LEU 71 -2.818 15.528 3.565 407 HD12 LEU 71 HD12 LEU 71 -3.294 14.306 2.388 408 HD13 LEU 71 HD13 LEU 71 -3.344 16.016 1.954 409 HD21 LEU 71 HD23 LEU 71 -6.917 15.405 2.467 410 HD22 LEU 71 HD21 LEU 71 -5.684 15.996 1.352 411 HD23 LEU 71 HD22 LEU 71 -5.830 14.268 1.667 412 H ARG 72 HN ARG 72 -5.828 14.436 7.013 413 HA ARG 72 HA ARG 72 -5.409 11.828 7.910 414 HE ARG 72 HE ARG 72 -3.020 12.279 11.174 415 HB2 ARG 72 HB2 ARG 72 -5.737 14.447 9.353 416 HB3 ARG 72 HB3 ARG 72 -5.313 12.955 10.175 417 HG2 ARG 72 HG2 ARG 72 -3.332 12.845 8.537 418 HG3 ARG 72 HG3 ARG 72 -3.699 14.547 8.217 419 HD2 ARG 72 HD2 ARG 72 -1.992 14.150 10.033 420 HD3 ARG 72 HD3 ARG 72 -3.385 15.130 10.511 421 HH11 ARG 72 HH12 ARG 72 -4.328 15.449 11.903 422 HH12 ARG 72 HH11 ARG 72 -5.141 14.920 13.344 423 HH21 ARG 72 HH22 ARG 72 -4.109 11.566 13.049 424 HH22 ARG 72 HH21 ARG 72 -5.023 12.704 13.998 425 H GLU 73 HN GLU 73 -8.161 13.920 8.070 426 HA GLU 73 HA GLU 73 -9.734 12.674 10.027 427 HB2 GLU 73 HB2 GLU 73 -10.044 14.911 8.721 428 HB3 GLU 73 HB3 GLU 73 -10.885 13.926 7.537 429 HG2 GLU 73 HG2 GLU 73 -12.647 14.656 8.799 430 HG3 GLU 73 HG3 GLU 73 -12.270 13.155 9.643 431 H GLN 74 HN GLN 74 -8.806 11.655 6.918 432 HA GLN 74 HA GLN 74 -10.877 9.554 6.835 433 HB2 GLN 74 HB2 GLN 74 -9.276 10.771 4.576 434 HB3 GLN 74 HB3 GLN 74 -10.488 9.511 4.405 435 HG2 GLN 74 HG2 GLN 74 -11.011 12.308 5.385 436 HG3 GLN 74 HG3 GLN 74 -11.299 11.740 3.741 437 HE21 GLN 74 HE21 GLN 74 -12.213 9.114 4.727 438 HE22 GLN 74 HE22 GLN 74 -13.818 9.384 5.308 439 H ALA 75 HN ALA 75 -7.800 10.054 7.738 440 HA ALA 75 HA ALA 75 -6.572 7.879 6.206 441 HB1 ALA 75 HB3 ALA 75 -5.379 9.970 6.113 442 HB2 ALA 75 HB1 ALA 75 -5.295 10.041 7.874 443 HB3 ALA 75 HB2 ALA 75 -4.428 8.777 6.999 444 H GLY 76 HN GLY 76 -5.154 6.400 7.280 445 HA2 GLY 76 HA1 GLY 76 -4.485 5.294 9.343 446 HA3 GLY 76 HA2 GLY 76 -6.040 5.764 10.027 447 H GLY 77 HN GLY 77 -7.023 5.108 7.167 448 HA2 GLY 77 HA1 GLY 77 -6.759 2.245 6.949 449 HA3 GLY 77 HA2 GLY 77 -8.359 2.773 7.495 450 H ASP 78 HN ASP 78 -9.375 2.091 5.513 451 HA ASP 78 HA ASP 78 -8.399 3.064 3.012 452 HB2 ASP 78 HB2 ASP 78 -9.740 0.997 3.141 453 HB3 ASP 78 HB3 ASP 78 -11.138 1.948 3.636 454 H ALA 79 HN ALA 79 -8.871 4.893 1.949 455 HA ALA 79 HA ALA 79 -10.853 6.701 3.185 456 HB1 ALA 79 HB3 ALA 79 -8.238 7.452 1.878 457 HB2 ALA 79 HB1 ALA 79 -9.425 8.581 2.531 458 HB3 ALA 79 HB2 ALA 79 -8.580 7.470 3.608 459 H THR 80 HN THR 80 -11.024 4.724 0.897 460 HA THR 80 HA THR 80 -10.862 6.226 -1.506 461 HB THR 80 HB THR 80 -10.757 3.631 -1.121 462 HG1 THR 80 HG1 THR 80 -12.132 4.451 -3.462 463 HG21 THR 80 HG23 THR 80 -13.006 3.319 -0.285 464 HG22 THR 80 HG21 THR 80 -12.856 2.526 -1.852 465 HG23 THR 80 HG22 THR 80 -13.686 4.078 -1.723 466 H GLU 81 HN GLU 81 -13.077 6.425 0.912 467 HA GLU 81 HA GLU 81 -15.578 6.617 -0.179 468 HB2 GLU 81 HB2 GLU 81 -14.861 7.032 2.207 469 HB3 GLU 81 HB3 GLU 81 -14.390 8.654 1.715 470 HG2 GLU 81 HG2 GLU 81 -16.539 8.844 2.673 471 HG3 GLU 81 HG3 GLU 81 -16.758 8.978 0.930 472 H ASN 82 HN ASN 82 -13.097 9.128 -0.108 473 HA ASN 82 HA ASN 82 -14.488 11.076 -1.641 474 HB2 ASN 82 HB2 ASN 82 -12.666 11.647 -0.101 475 HB3 ASN 82 HB3 ASN 82 -11.534 10.708 -1.064 476 HD21 ASN 82 HD21 ASN 82 -13.320 13.686 -0.833 477 HD22 ASN 82 HD22 ASN 82 -12.521 14.490 -2.135 478 H PHE 83 HN PHE 83 -12.596 8.344 -2.408 479 HA PHE 83 HA PHE 83 -11.600 9.253 -4.945 480 HD1 PHE 83 HD1 PHE 83 -8.919 8.632 -5.179 481 HD2 PHE 83 HD2 PHE 83 -11.294 5.136 -5.662 482 HE1 PHE 83 HE1 PHE 83 -7.527 7.962 -7.091 483 HE2 PHE 83 HE2 PHE 83 -9.904 4.466 -7.579 484 HZ PHE 83 HZ PHE 83 -8.020 5.879 -8.293 485 HB2 PHE 83 HB2 PHE 83 -10.381 7.737 -3.356 486 HB3 PHE 83 HB3 PHE 83 -11.554 6.481 -3.736 487 H GLU 84 HN GLU 84 -14.216 7.317 -3.735 488 HA GLU 84 HA GLU 84 -14.978 6.219 -6.299 489 HB2 GLU 84 HB2 GLU 84 -16.552 6.286 -3.718 490 HB3 GLU 84 HB3 GLU 84 -16.834 5.232 -5.090 491 HG2 GLU 84 HG2 GLU 84 -14.471 5.167 -3.230 492 HG3 GLU 84 HG3 GLU 84 -15.802 4.017 -3.285 493 H ASP 85 HN ASP 85 -15.471 9.023 -4.531 494 HA ASP 85 HA ASP 85 -18.089 9.714 -5.612 495 HB2 ASP 85 HB2 ASP 85 -17.844 10.057 -3.251 496 HB3 ASP 85 HB3 ASP 85 -16.325 10.920 -3.471 497 H VAL 86 HN VAL 86 -15.000 11.439 -5.149 498 HA VAL 86 HA VAL 86 -15.647 13.235 -7.342 499 HB VAL 86 HB VAL 86 -13.149 13.168 -5.644 500 HG11 VAL 86 HG11 VAL 86 -12.822 14.349 -7.713 501 HG12 VAL 86 HG12 VAL 86 -14.296 15.284 -7.460 502 HG13 VAL 86 HG13 VAL 86 -12.911 15.513 -6.391 503 HG21 VAL 86 HG23 VAL 86 -14.152 14.971 -4.344 504 HG22 VAL 86 HG21 VAL 86 -15.635 14.840 -5.287 505 HG23 VAL 86 HG22 VAL 86 -15.130 13.506 -4.247 506 H GLY 87 HN GLY 87 -13.277 10.757 -6.518 507 HA2 GLY 87 HA1 GLY 87 -12.343 9.200 -7.940 508 HA3 GLY 87 HA2 GLY 87 -13.139 10.004 -9.279 509 H HIS 88 HN HIS 88 -11.437 12.302 -7.597 510 HA HIS 88 HA HIS 88 -9.661 13.594 -8.165 511 HD1 HIS 88 HD1 HIS 88 -8.837 10.370 -5.979 512 HD2 HIS 88 HD2 HIS 88 -6.654 13.796 -6.914 513 HE1 HIS 88 HE1 HIS 88 -7.688 11.097 -3.822 514 HB2 HIS 88 HB2 HIS 88 -8.556 10.830 -8.541 515 HB3 HIS 88 HB3 HIS 88 -7.585 12.220 -9.007 516 H SER 89 HN SER 89 -7.864 13.736 -10.167 517 HA SER 89 HA SER 89 -9.499 13.505 -12.600 518 HG SER 89 HG SER 89 -6.605 16.128 -12.254 519 HB2 SER 89 HB2 SER 89 -8.204 15.496 -13.450 520 HB3 SER 89 HB3 SER 89 -9.293 15.824 -12.104 521 H THR 90 HN THR 90 -7.820 13.917 -14.597 522 HA THR 90 HA THR 90 -6.382 11.464 -14.720 523 HB THR 90 HB THR 90 -6.236 13.783 -16.676 524 HG1 THR 90 HG1 THR 90 -7.951 12.729 -17.734 525 HG21 THR 90 HG23 THR 90 -5.708 10.824 -17.022 526 HG22 THR 90 HG21 THR 90 -4.481 12.087 -16.959 527 HG23 THR 90 HG22 THR 90 -5.628 12.040 -18.298 528 H ASP 91 HN ASP 91 -4.886 11.632 -13.026 529 HA ASP 91 HA ASP 91 -2.292 12.260 -13.842 530 HB2 ASP 91 HB2 ASP 91 -2.980 14.609 -13.400 531 HB3 ASP 91 HB3 ASP 91 -3.376 14.170 -11.740 532 H ALA 92 HN ALA 92 -4.028 12.566 -10.779 533 HA ALA 92 HA ALA 92 -2.212 11.138 -9.205 534 HB1 ALA 92 HB3 ALA 92 -5.146 11.664 -8.742 535 HB2 ALA 92 HB1 ALA 92 -4.021 11.074 -7.518 536 HB3 ALA 92 HB2 ALA 92 -3.803 12.678 -8.221 537 H ARG 93 HN ARG 93 -4.669 10.053 -11.312 538 HA ARG 93 HA ARG 93 -5.151 7.489 -10.191 539 HE ARG 93 HE ARG 93 -9.344 9.860 -11.386 540 HB2 ARG 93 HB2 ARG 93 -5.484 8.592 -12.989 541 HB3 ARG 93 HB3 ARG 93 -6.062 7.007 -12.478 542 HG2 ARG 93 HG2 ARG 93 -7.643 7.949 -11.006 543 HG3 ARG 93 HG3 ARG 93 -6.903 9.547 -11.110 544 HD2 ARG 93 HD2 ARG 93 -7.568 9.717 -13.442 545 HD3 ARG 93 HD3 ARG 93 -8.262 8.099 -13.372 546 HH11 ARG 93 HH12 ARG 93 -9.625 8.845 -14.726 547 HH12 ARG 93 HH11 ARG 93 -11.272 9.362 -14.873 548 HH21 ARG 93 HH22 ARG 93 -11.480 10.544 -11.569 549 HH22 ARG 93 HH21 ARG 93 -12.339 10.354 -13.069 550 H GLU 94 HN GLU 94 -2.524 8.850 -11.740 551 HA GLU 94 HA GLU 94 -1.405 6.245 -12.537 552 HB2 GLU 94 HB2 GLU 94 -1.737 8.707 -14.002 553 HB3 GLU 94 HB3 GLU 94 -0.025 8.344 -13.844 554 HG2 GLU 94 HG2 GLU 94 -2.078 6.417 -14.906 555 HG3 GLU 94 HG3 GLU 94 -1.065 7.456 -15.908 556 H MET 95 HN MET 95 -0.863 9.445 -11.297 557 HA MET 95 HA MET 95 1.860 9.402 -10.789 558 HB2 MET 95 HB2 MET 95 0.480 11.431 -10.867 559 HB3 MET 95 HB3 MET 95 -0.356 10.930 -9.406 560 HG2 MET 95 HG2 MET 95 1.262 12.631 -8.887 561 HG3 MET 95 HG3 MET 95 1.736 11.101 -8.153 562 HE1 MET 95 HE3 MET 95 3.677 12.715 -12.015 563 HE2 MET 95 HE1 MET 95 2.043 12.057 -11.929 564 HE3 MET 95 HE2 MET 95 2.415 13.596 -11.151 565 H SER 96 HN SER 96 -0.785 8.059 -8.993 566 HA SER 96 HA SER 96 0.297 8.404 -6.397 567 HG SER 96 HG SER 96 -2.251 5.575 -6.894 568 HB2 SER 96 HB2 SER 96 -1.621 7.129 -5.637 569 HB3 SER 96 HB3 SER 96 -2.121 8.278 -6.876 570 H LYS 97 HN LYS 97 0.958 6.216 -8.810 571 HA LYS 97 HA LYS 97 1.051 3.729 -7.529 572 HB2 LYS 97 HB2 LYS 97 2.653 4.722 -9.894 573 HB3 LYS 97 HB3 LYS 97 2.486 3.038 -9.423 574 HG2 LYS 97 HG2 LYS 97 0.055 3.189 -9.841 575 HG3 LYS 97 HG3 LYS 97 0.272 4.857 -10.368 576 HD2 LYS 97 HD2 LYS 97 1.384 2.368 -11.667 577 HD3 LYS 97 HD3 LYS 97 0.159 3.462 -12.315 578 HE2 LYS 97 HE2 LYS 97 1.908 5.279 -12.235 579 HE3 LYS 97 HE3 LYS 97 3.084 4.015 -11.876 580 HZ1 LYS 97 HZ3 LYS 97 2.436 2.920 -13.974 581 HZ2 LYS 97 HZ1 LYS 97 3.078 4.471 -14.220 582 HZ3 LYS 97 HZ2 LYS 97 1.405 4.227 -14.320 583 H THR 98 HN THR 98 3.233 6.378 -7.547 584 HA THR 98 HA THR 98 5.522 4.861 -6.643 585 HB THR 98 HB THR 98 5.347 7.871 -6.671 586 HG1 THR 98 HG1 THR 98 6.254 7.386 -8.969 587 HG21 THR 98 HG23 THR 98 7.573 5.920 -7.262 588 HG22 THR 98 HG21 THR 98 7.378 6.854 -5.780 589 HG23 THR 98 HG22 THR 98 7.712 7.678 -7.305 590 H PHE 99 HN PHE 99 2.777 6.009 -5.210 591 HA PHE 99 HA PHE 99 4.069 6.576 -2.633 592 HD1 PHE 99 HD1 PHE 99 3.571 9.082 -1.544 593 HD2 PHE 99 HD2 PHE 99 1.627 8.643 -5.304 594 HE1 PHE 99 HE1 PHE 99 4.301 11.338 -2.179 595 HE2 PHE 99 HE2 PHE 99 2.363 10.899 -5.947 596 HZ PHE 99 HZ PHE 99 3.730 12.242 -4.375 597 HB2 PHE 99 HB2 PHE 99 1.245 7.075 -3.604 598 HB3 PHE 99 HB3 PHE 99 1.785 7.367 -1.955 599 H ILE 100 HN ILE 100 2.521 4.160 -4.369 600 HA ILE 100 HA ILE 100 1.096 2.855 -2.257 601 HB ILE 100 HB ILE 100 2.122 1.584 -4.807 602 HG12 ILE 100 HG12 ILE 100 -0.500 3.013 -4.313 603 HG13 ILE 100 HG13 ILE 100 0.763 3.496 -5.440 604 HG21 ILE 100 HG21 ILE 100 -0.169 0.814 -3.007 605 HG22 ILE 100 HG22 ILE 100 0.340 -0.024 -4.471 606 HG23 ILE 100 HG23 ILE 100 1.405 0.021 -3.066 607 HD11 ILE 100 HD13 ILE 100 0.352 1.472 -6.759 608 HD12 ILE 100 HD11 ILE 100 -0.916 0.998 -5.628 609 HD13 ILE 100 HD12 ILE 100 -1.104 2.458 -6.601 610 H ILE 101 HN ILE 101 2.417 2.384 -0.522 611 HA ILE 101 HA ILE 101 5.071 1.389 -0.962 612 HB ILE 101 HB ILE 101 5.142 1.074 1.517 613 HG12 ILE 101 HG12 ILE 101 2.413 2.381 1.400 614 HG13 ILE 101 HG13 ILE 101 2.722 0.706 1.844 615 HG21 ILE 101 HG21 ILE 101 5.926 3.111 0.408 616 HG22 ILE 101 HG22 ILE 101 4.316 3.812 0.574 617 HG23 ILE 101 HG23 ILE 101 5.270 3.438 2.012 618 HD11 ILE 101 HD13 ILE 101 3.629 3.147 3.348 619 HD12 ILE 101 HD11 ILE 101 2.340 2.035 3.815 620 HD13 ILE 101 HD12 ILE 101 4.015 1.482 3.779 621 H GLY 102 HN GLY 102 1.952 -0.013 -0.648 622 HA2 GLY 102 HA1 GLY 102 2.704 -2.465 -1.639 623 HA3 GLY 102 HA2 GLY 102 2.850 -2.630 0.104 624 H GLU 103 HN GLU 103 1.231 -4.253 -0.060 625 HA GLU 103 HA GLU 103 -1.489 -3.120 -0.199 626 HB2 GLU 103 HB2 GLU 103 -0.587 -5.941 -0.825 627 HB3 GLU 103 HB3 GLU 103 -2.271 -5.425 -0.752 628 HG2 GLU 103 HG2 GLU 103 -1.876 -3.853 -2.565 629 HG3 GLU 103 HG3 GLU 103 -0.186 -4.333 -2.631 630 H LEU 104 HN LEU 104 -2.793 -5.362 1.042 631 HA LEU 104 HA LEU 104 -1.800 -4.903 3.762 632 HG LEU 104 HG LEU 104 -4.538 -3.505 2.438 633 HB2 LEU 104 HB2 LEU 104 -4.543 -5.800 2.886 634 HB3 LEU 104 HB3 LEU 104 -4.036 -5.570 4.550 635 HD11 LEU 104 HD11 LEU 104 -5.418 -3.833 5.300 636 HD12 LEU 104 HD12 LEU 104 -5.829 -2.465 4.262 637 HD13 LEU 104 HD13 LEU 104 -6.397 -4.083 3.856 638 HD21 LEU 104 HD23 LEU 104 -3.575 -1.825 3.959 639 HD22 LEU 104 HD21 LEU 104 -2.921 -3.131 4.947 640 HD23 LEU 104 HD22 LEU 104 -2.367 -2.920 3.285 641 H HIS 105 HN HIS 105 -2.068 -6.659 5.358 642 HA HIS 105 HA HIS 105 -0.768 -9.037 4.449 643 HD1 HIS 105 HD1 HIS 105 0.516 -10.628 7.740 644 HD2 HIS 105 HD2 HIS 105 0.927 -6.768 6.236 645 HE1 HIS 105 HE1 HIS 105 2.914 -9.987 8.137 646 HE2 HIS 105 HE2 HIS 105 3.103 -7.610 7.336 647 HB2 HIS 105 HB2 HIS 105 -1.723 -7.935 7.029 648 HB3 HIS 105 HB3 HIS 105 -1.657 -9.687 6.946 649 HA PRO 106 HA PRO 106 -3.899 -12.254 3.848 650 HB2 PRO 106 HB2 PRO 106 -3.405 -13.077 6.661 651 HB3 PRO 106 HB3 PRO 106 -3.408 -14.051 5.191 652 HG2 PRO 106 HG2 PRO 106 -1.161 -13.110 6.503 653 HG3 PRO 106 HG3 PRO 106 -1.210 -13.695 4.835 654 HD2 PRO 106 HD2 PRO 106 -0.698 -11.041 5.752 655 HD3 PRO 106 HD3 PRO 106 -0.806 -11.616 4.079 656 H ASP 107 HN ASP 107 -4.068 -10.143 6.620 657 HA ASP 107 HA ASP 107 -6.554 -11.050 7.694 658 HB2 ASP 107 HB2 ASP 107 -6.432 -9.060 9.106 659 HB3 ASP 107 HB3 ASP 107 -4.876 -9.877 9.071 660 H ASP 108 HN ASP 108 -5.651 -9.083 5.106 661 HA ASP 108 HA ASP 108 -8.450 -8.306 4.643 662 HB2 ASP 108 HB2 ASP 108 -7.012 -6.415 5.526 663 HB3 ASP 108 HB3 ASP 108 -6.099 -6.534 4.021 664 H ARG 109 HN ARG 109 -5.449 -9.462 3.418 665 HA ARG 109 HA ARG 109 -5.445 -8.615 0.808 666 HE ARG 109 HE ARG 109 -3.060 -12.781 0.944 667 HB2 ARG 109 HB2 ARG 109 -3.645 -9.840 2.123 668 HB3 ARG 109 HB3 ARG 109 -4.451 -11.334 1.675 669 HG2 ARG 109 HG2 ARG 109 -4.062 -10.834 -0.678 670 HG3 ARG 109 HG3 ARG 109 -3.313 -9.300 -0.228 671 HD2 ARG 109 HD2 ARG 109 -1.548 -10.836 -0.647 672 HD3 ARG 109 HD3 ARG 109 -1.637 -10.608 1.099 673 HH11 ARG 109 HH12 ARG 109 -0.258 -12.001 -0.982 674 HH12 ARG 109 HH11 ARG 109 0.243 -13.655 -1.180 675 HH21 ARG 109 HH22 ARG 109 -2.375 -14.995 0.753 676 HH22 ARG 109 HH21 ARG 109 -0.934 -15.351 -0.155 677 HA PRO 110 HA PRO 110 -8.508 -11.906 -0.518 678 HB2 PRO 110 HB2 PRO 110 -9.056 -14.080 0.901 679 HB3 PRO 110 HB3 PRO 110 -7.547 -13.945 -0.012 680 HG2 PRO 110 HG2 PRO 110 -7.997 -13.776 2.910 681 HG3 PRO 110 HG3 PRO 110 -6.556 -14.290 2.023 682 HD2 PRO 110 HD2 PRO 110 -7.085 -11.725 3.185 683 HD3 PRO 110 HD3 PRO 110 -5.661 -12.227 2.251 684 H LYS 111 HN LYS 111 -8.652 -10.762 2.699 685 HA LYS 111 HA LYS 111 -10.263 -10.104 4.148 686 HB2 LYS 111 HB2 LYS 111 -11.913 -10.098 1.627 687 HB3 LYS 111 HB3 LYS 111 -12.610 -9.689 3.186 688 HG2 LYS 111 HG2 LYS 111 -10.890 -7.880 3.393 689 HG3 LYS 111 HG3 LYS 111 -10.405 -8.239 1.735 690 HD2 LYS 111 HD2 LYS 111 -12.694 -7.757 0.975 691 HD3 LYS 111 HD3 LYS 111 -13.154 -7.356 2.629 692 HE2 LYS 111 HE2 LYS 111 -11.033 -5.940 1.010 693 HE3 LYS 111 HE3 LYS 111 -12.675 -5.353 1.260 694 HZ1 LYS 111 HZ3 LYS 111 -10.616 -5.763 3.380 695 HZ2 LYS 111 HZ1 LYS 111 -12.211 -5.251 3.659 696 HZ3 LYS 111 HZ2 LYS 111 -11.149 -4.279 2.771 697 H LEU 112 HN LEU 112 -12.175 -12.165 2.018 698 HA LEU 112 HA LEU 112 -12.893 -13.818 4.338 699 HG LEU 112 HG LEU 112 -13.983 -14.150 0.793 700 HB2 LEU 112 HB2 LEU 112 -14.940 -14.393 3.229 701 HB3 LEU 112 HB3 LEU 112 -14.784 -12.652 3.268 702 HD11 LEU 112 HD11 LEU 112 -16.218 -14.987 1.388 703 HD12 LEU 112 HD12 LEU 112 -16.807 -13.327 1.466 704 HD13 LEU 112 HD13 LEU 112 -16.241 -13.991 -0.066 705 HD21 LEU 112 HD23 LEU 112 -14.963 -11.375 1.424 706 HD22 LEU 112 HD21 LEU 112 -13.449 -11.858 0.664 707 HD23 LEU 112 HD22 LEU 112 -14.959 -12.018 -0.218 708 H ASN 113 HN ASN 113 -12.047 -13.968 0.900 709 HA ASN 113 HA ASN 113 -10.522 -16.336 1.224 710 HB2 ASN 113 HB2 ASN 113 -12.865 -17.281 1.278 711 HB3 ASN 113 HB3 ASN 113 -13.066 -16.710 -0.374 712 HD21 ASN 113 HD21 ASN 113 -13.322 -18.701 -1.269 713 HD22 ASN 113 HD22 ASN 113 -12.051 -19.871 -1.375 714 H LYS 114 HN LYS 114 -12.053 -13.940 -0.703 715 HA LYS 114 HA LYS 114 -11.315 -12.677 -2.417 716 HB2 LYS 114 HB2 LYS 114 -9.048 -12.710 -1.737 717 HB3 LYS 114 HB3 LYS 114 -8.862 -14.403 -2.183 718 HG2 LYS 114 HG2 LYS 114 -8.909 -13.893 -4.490 719 HG3 LYS 114 HG3 LYS 114 -9.405 -12.227 -4.178 720 HD2 LYS 114 HD2 LYS 114 -7.289 -11.695 -3.230 721 HD3 LYS 114 HD3 LYS 114 -6.817 -13.398 -3.199 722 HE2 LYS 114 HE2 LYS 114 -5.817 -12.025 -5.060 723 HE3 LYS 114 HE3 LYS 114 -6.648 -13.501 -5.549 724 HZ1 LYS 114 HZ3 LYS 114 -7.898 -10.808 -5.613 725 HZ2 LYS 114 HZ1 LYS 114 -8.522 -12.239 -6.268 726 HZ3 LYS 114 HZ2 LYS 114 -7.144 -11.522 -6.946 727 HA PRO 115 HA PRO 115 -12.767 -15.250 -5.728 728 HB2 PRO 115 HB2 PRO 115 -13.685 -13.198 -7.250 729 HB3 PRO 115 HB3 PRO 115 -14.564 -13.845 -5.864 730 HG2 PRO 115 HG2 PRO 115 -13.109 -11.303 -6.141 731 HG3 PRO 115 HG3 PRO 115 -14.406 -11.740 -5.019 732 HD2 PRO 115 HD2 PRO 115 -11.606 -11.620 -4.496 733 HD3 PRO 115 HD3 PRO 115 -12.891 -12.144 -3.392 734 HA PRO 116 HA PRO 116 -9.357 -14.606 -8.564 735 HB2 PRO 116 HB2 PRO 116 -9.659 -17.055 -9.773 736 HB3 PRO 116 HB3 PRO 116 -8.823 -16.798 -8.241 737 HG2 PRO 116 HG2 PRO 116 -11.318 -18.170 -8.710 738 HG3 PRO 116 HG3 PRO 116 -10.409 -18.005 -7.201 739 HD2 PRO 116 HD2 PRO 116 -12.753 -16.499 -8.140 740 HD3 PRO 116 HD3 PRO 116 -12.109 -16.674 -6.494 741 H GLU 117 HN GLU 117 -9.277 -15.647 -11.104 742 HA GLU 117 HA GLU 117 -11.025 -13.867 -12.522 743 HB2 GLU 117 HB2 GLU 117 -8.955 -15.851 -13.452 744 HB3 GLU 117 HB3 GLU 117 -9.872 -14.831 -14.549 745 HG2 GLU 117 HG2 GLU 117 -8.948 -12.846 -13.453 746 HG3 GLU 117 HG3 GLU 117 -8.007 -13.889 -12.386 747 H THR 118 HN THR 118 -10.365 -17.294 -13.227 748 HA THR 118 HA THR 118 -12.959 -17.476 -14.529 749 HB THR 118 HB THR 118 -11.010 -18.216 -15.804 750 HG1 THR 118 HG1 THR 118 -11.796 -20.321 -16.373 751 HG21 THR 118 HG23 THR 118 -9.581 -18.906 -13.976 752 HG22 THR 118 HG21 THR 118 -9.752 -20.222 -15.138 753 HG23 THR 118 HG22 THR 118 -10.649 -20.263 -13.620 754 H LEU 119 HN LEU 119 -13.665 -20.031 -14.407 755 HA LEU 119 HA LEU 119 -15.112 -20.079 -11.983 756 HG LEU 119 HG LEU 119 -17.040 -20.349 -13.558 757 HB2 LEU 119 HB2 LEU 119 -14.729 -22.198 -14.104 758 HB3 LEU 119 HB3 LEU 119 -15.787 -22.403 -12.727 759 HD11 LEU 119 HD11 LEU 119 -15.513 -19.384 -15.100 760 HD12 LEU 119 HD12 LEU 119 -15.357 -20.901 -15.990 761 HD13 LEU 119 HD13 LEU 119 -16.873 -20.007 -16.031 762 HD21 LEU 119 HD23 LEU 119 -17.007 -22.883 -15.191 763 HD22 LEU 119 HD21 LEU 119 -17.958 -22.572 -13.739 764 HD23 LEU 119 HD22 LEU 119 -18.295 -21.680 -15.223 765 H ILE 120 HN ILE 120 -13.062 -22.710 -13.178 766 HA ILE 120 HA ILE 120 -11.890 -23.001 -10.496 767 HB ILE 120 HB ILE 120 -12.889 -25.294 -12.213 768 HG12 ILE 120 HG12 ILE 120 -14.747 -24.107 -11.098 769 HG13 ILE 120 HG13 ILE 120 -14.525 -25.717 -10.428 770 HG21 ILE 120 HG21 ILE 120 -10.874 -25.909 -11.032 771 HG22 ILE 120 HG22 ILE 120 -11.549 -25.318 -9.513 772 HG23 ILE 120 HG23 ILE 120 -12.262 -26.721 -10.307 773 HD11 ILE 120 HD13 ILE 120 -13.644 -23.122 -9.189 774 HD12 ILE 120 HD11 ILE 120 -14.972 -24.158 -8.665 775 HD13 ILE 120 HD12 ILE 120 -13.308 -24.724 -8.535 776 H THR 121 HN THR 121 -9.703 -23.541 -10.539 777 HA THR 121 HA THR 121 -8.454 -23.083 -13.114 778 HB THR 121 HB THR 121 -6.346 -23.145 -11.581 779 HG1 THR 121 HG1 THR 121 -6.998 -22.485 -9.411 780 HG21 THR 121 HG23 THR 121 -6.704 -20.783 -11.095 781 HG22 THR 121 HG21 THR 121 -8.437 -20.982 -11.353 782 HG23 THR 121 HG22 THR 121 -7.319 -21.182 -12.701 783 H THR 122 HN THR 122 -9.683 -25.724 -12.423 784 HA THR 122 HA THR 122 -7.499 -27.301 -13.479 785 HB THR 122 HB THR 122 -8.289 -29.166 -11.760 786 HG1 THR 122 HG1 THR 122 -9.733 -27.519 -10.772 787 HG21 THR 122 HG23 THR 122 -5.974 -28.385 -12.084 788 HG22 THR 122 HG21 THR 122 -6.344 -28.649 -10.380 789 HG23 THR 122 HG22 THR 122 -6.300 -27.010 -11.027 790 H ILE 123 HN ILE 123 -8.262 -28.464 -15.068 791 HA ILE 123 HA ILE 123 -9.591 -29.356 -16.619 792 HB ILE 123 HB ILE 123 -11.163 -31.039 -16.062 793 HG12 ILE 123 HG12 ILE 123 -11.122 -30.096 -13.185 794 HG13 ILE 123 HG13 ILE 123 -12.448 -29.821 -14.311 795 HG21 ILE 123 HG21 ILE 123 -8.911 -30.987 -14.069 796 HG22 ILE 123 HG22 ILE 123 -9.854 -32.414 -14.505 797 HG23 ILE 123 HG23 ILE 123 -8.856 -31.613 -15.717 798 HD11 ILE 123 HD13 ILE 123 -12.798 -32.216 -14.501 799 HD12 ILE 123 HD11 ILE 123 -11.447 -32.510 -13.407 800 HD13 ILE 123 HD12 ILE 123 -12.897 -31.694 -12.819 801 H ASP 124 HN ASP 124 -10.939 -28.632 -18.025 802 HA ASP 124 HA ASP 124 -12.646 -26.434 -17.480 803 HB2 ASP 124 HB2 ASP 124 -12.447 -28.184 -19.948 804 HB3 ASP 124 HB3 ASP 124 -13.290 -26.641 -19.867 805 H SER 125 HN SER 125 -13.031 -29.777 -17.252 806 HA SER 125 HA SER 125 -14.636 -30.973 -16.217 807 HG SER 125 HG SER 125 -16.746 -30.122 -14.128 808 HB2 SER 125 HB2 SER 125 -15.088 -29.051 -14.796 809 HB3 SER 125 HB3 SER 125 -16.120 -28.343 -16.036 810 H SER 126 HN SER 126 -16.777 -28.696 -17.946 811 HA SER 126 HA SER 126 -17.938 -31.062 -19.261 812 HG SER 126 HG SER 126 -18.957 -28.789 -16.567 813 HB2 SER 126 HB2 SER 126 -20.181 -29.824 -18.841 814 HB3 SER 126 HB3 SER 126 -19.421 -30.654 -17.481 815 H SER 127 HN SER 127 -18.318 -27.516 -19.237 816 HA SER 127 HA SER 127 -19.075 -27.435 -21.981 817 HG SER 127 HG SER 127 -20.149 -25.062 -22.236 818 HB2 SER 127 HB2 SER 127 -19.777 -25.786 -20.208 819 HB3 SER 127 HB3 SER 127 -18.141 -25.134 -20.255 820 H SER 128 HN SER 128 -17.486 -28.320 -23.234 821 HA SER 128 HA SER 128 -14.843 -27.036 -23.160 822 HG SER 128 HG SER 128 -16.651 -30.014 -23.512 823 HB2 SER 128 HB2 SER 128 -14.048 -29.170 -24.280 824 HB3 SER 128 HB3 SER 128 -14.577 -29.341 -22.608 825 HHA HEM 129 HHA HEM 129 -5.686 17.510 -6.208 826 HHB HEM 129 HHB HEM 129 -1.878 12.312 -5.864 827 HHC HEM 129 HHC HEM 129 -5.190 10.285 -0.759 828 HHD HEM 129 HHD HEM 129 -9.305 15.221 -1.413 829 HAB HEM 129 HAB HEM 129 -2.706 9.125 -0.859 830 HAC HEM 129 HAC HEM 129 -10.265 13.549 0.150 831 HMA1 HEM 129 HMA1 HEM 129 -1.596 15.091 -8.560 832 HMA2 HEM 129 HMA2 HEM 129 -0.783 14.395 -7.156 833 HMA3 HEM 129 HMA3 HEM 129 -1.796 13.381 -8.193 834 HAA1 HEM 129 HAA1 HEM 129 -3.049 17.552 -8.031 835 HAA2 HEM 129 HAA2 HEM 129 -3.185 16.222 -8.701 836 HBA1 HEM 129 HBA1 HEM 129 -5.009 17.799 -9.540 837 HBA2 HEM 129 HBA2 HEM 129 -5.814 16.385 -8.827 838 HMB1 HEM 129 HMB1 HEM 129 -0.290 10.436 -3.814 839 HMB2 HEM 129 HMB2 HEM 129 -1.297 9.563 -5.147 840 HMB3 HEM 129 HMB3 HEM 129 -1.300 9.351 -3.636 841 HBB1 HEM 129 HBB1 HEM 129 -3.654 7.773 -3.421 842 HBB2 HEM 129 HBB2 HEM 129 -3.056 6.972 -1.841 843 HMC1 HEM 129 HMC1 HEM 129 -6.788 11.439 1.969 844 HMC2 HEM 129 HMC2 HEM 129 -8.108 10.535 1.221 845 HMC3 HEM 129 HMC3 HEM 129 -6.389 10.210 0.793 846 HBC1 HEM 129 HBC1 HEM 129 -10.275 13.364 2.513 847 HBC2 HEM 129 HBC2 HEM 129 -8.498 12.848 2.545 848 HMD1 HEM 129 HMD1 HEM 129 -10.063 17.223 -1.781 849 HMD2 HEM 129 HMD2 HEM 129 -10.200 18.413 -3.222 850 HMD3 HEM 129 HMD3 HEM 129 -9.058 18.264 -2.246 851 HAD1 HEM 129 HAD1 HEM 129 -8.616 18.565 -6.101 852 HAD2 HEM 129 HAD2 HEM 129 -8.875 18.850 -4.640 853 HBD1 HEM 129 HBD1 HEM 129 -7.545 20.705 -5.738 854 HBD2 HEM 129 HBD2 HEM 129 -6.451 20.012 -4.528 Start of MODEL 10 1 HA MET 21 HA MET 21 -3.080 -8.098 -18.944 2 H1 MET 21 1H MET 21 -5.079 -7.627 -17.113 3 HB2 MET 21 HB2 MET 21 -2.657 -7.588 -15.993 4 HB3 MET 21 HB3 MET 21 -1.532 -7.218 -17.294 5 HG2 MET 21 HG2 MET 21 -4.229 -5.946 -16.881 6 HG3 MET 21 HG3 MET 21 -2.676 -5.226 -16.469 7 HE1 MET 21 HE3 MET 21 -0.818 -5.992 -18.902 8 HE2 MET 21 HE1 MET 21 -1.063 -4.597 -19.952 9 HE3 MET 21 HE2 MET 21 -0.922 -4.370 -18.211 10 H ALA 22 HN ALA 22 -2.673 -9.307 -15.667 11 HA ALA 22 HA ALA 22 -2.308 -12.031 -16.630 12 HB1 ALA 22 HB3 ALA 22 -0.177 -10.528 -15.102 13 HB2 ALA 22 HB1 ALA 22 -0.186 -12.273 -15.345 14 HB3 ALA 22 HB2 ALA 22 -0.048 -11.188 -16.728 15 H GLU 23 HN GLU 23 -1.425 -10.459 -13.573 16 HA GLU 23 HA GLU 23 -3.822 -11.645 -12.371 17 HB2 GLU 23 HB2 GLU 23 -0.998 -11.787 -11.464 18 HB3 GLU 23 HB3 GLU 23 -2.213 -11.532 -10.218 19 HG2 GLU 23 HG2 GLU 23 -2.345 -13.764 -12.235 20 HG3 GLU 23 HG3 GLU 23 -1.598 -13.922 -10.647 21 H GLN 24 HN GLN 24 -3.167 -10.450 -9.804 22 HA GLN 24 HA GLN 24 -4.197 -7.755 -10.419 23 HB2 GLN 24 HB2 GLN 24 -4.567 -9.310 -7.862 24 HB3 GLN 24 HB3 GLN 24 -5.511 -7.940 -8.445 25 HG2 GLN 24 HG2 GLN 24 -6.662 -9.214 -9.983 26 HG3 GLN 24 HG3 GLN 24 -5.418 -10.458 -10.039 27 HE21 GLN 24 HE21 GLN 24 -6.650 -12.180 -9.609 28 HE22 GLN 24 HE22 GLN 24 -7.503 -12.424 -8.123 29 H SER 25 HN SER 25 -2.758 -6.133 -9.969 30 HA SER 25 HA SER 25 -1.139 -4.911 -8.906 31 HG SER 25 HG SER 25 -1.410 -4.575 -5.478 32 HB2 SER 25 HB2 SER 25 -2.699 -5.849 -6.899 33 HB3 SER 25 HB3 SER 25 -1.173 -6.605 -6.459 34 H ASP 26 HN ASP 26 -0.128 -6.518 -10.639 35 HA ASP 26 HA ASP 26 1.712 -7.595 -11.379 36 HB2 ASP 26 HB2 ASP 26 2.741 -5.710 -9.963 37 HB3 ASP 26 HB3 ASP 26 3.062 -6.950 -8.759 38 H GLU 27 HN GLU 27 3.660 -9.181 -10.140 39 HA GLU 27 HA GLU 27 2.140 -11.586 -9.787 40 HB2 GLU 27 HB2 GLU 27 5.108 -11.121 -9.426 41 HB3 GLU 27 HB3 GLU 27 4.319 -12.680 -9.603 42 HG2 GLU 27 HG2 GLU 27 4.444 -10.515 -11.690 43 HG3 GLU 27 HG3 GLU 27 5.414 -11.988 -11.661 44 H ALA 28 HN ALA 28 4.112 -9.515 -7.752 45 HA ALA 28 HA ALA 28 3.222 -10.999 -5.386 46 HB1 ALA 28 HB3 ALA 28 6.082 -10.267 -6.009 47 HB2 ALA 28 HB1 ALA 28 5.517 -10.948 -4.483 48 HB3 ALA 28 HB2 ALA 28 5.400 -11.893 -5.969 49 H VAL 29 HN VAL 29 1.991 -9.447 -4.485 50 HA VAL 29 HA VAL 29 2.971 -6.720 -4.254 51 HB VAL 29 HB VAL 29 0.604 -6.980 -4.749 52 HG11 VAL 29 HG11 VAL 29 -0.936 -7.935 -3.061 53 HG12 VAL 29 HG12 VAL 29 0.149 -9.125 -3.782 54 HG13 VAL 29 HG13 VAL 29 0.467 -8.507 -2.161 55 HG21 VAL 29 HG23 VAL 29 1.195 -5.030 -3.481 56 HG22 VAL 29 HG21 VAL 29 -0.353 -5.644 -2.899 57 HG23 VAL 29 HG22 VAL 29 1.118 -5.939 -1.970 58 H LYS 30 HN LYS 30 3.652 -5.758 -2.392 59 HA LYS 30 HA LYS 30 4.564 -7.482 -0.273 60 HB2 LYS 30 HB2 LYS 30 5.637 -5.301 -1.348 61 HB3 LYS 30 HB3 LYS 30 4.685 -4.490 -0.119 62 HG2 LYS 30 HG2 LYS 30 6.713 -6.634 0.462 63 HG3 LYS 30 HG3 LYS 30 7.063 -4.908 0.481 64 HD2 LYS 30 HD2 LYS 30 5.187 -4.713 2.194 65 HD3 LYS 30 HD3 LYS 30 5.267 -6.473 2.312 66 HE2 LYS 30 HE2 LYS 30 6.643 -5.562 4.045 67 HE3 LYS 30 HE3 LYS 30 7.703 -6.256 2.819 68 HZ1 LYS 30 HZ3 LYS 30 8.461 -4.070 3.611 69 HZ2 LYS 30 HZ1 LYS 30 7.031 -3.368 3.035 70 HZ3 LYS 30 HZ2 LYS 30 8.132 -4.063 1.950 71 H TYR 31 HN TYR 31 3.509 -7.842 1.658 72 HA TYR 31 HA TYR 31 0.998 -6.361 2.039 73 HD1 TYR 31 HD2 TYR 31 -0.634 -7.607 0.969 74 HD2 TYR 31 HD1 TYR 31 1.817 -10.833 2.242 75 HE1 TYR 31 HE2 TYR 31 -1.422 -8.957 -0.935 76 HE2 TYR 31 HE1 TYR 31 1.051 -12.183 0.349 77 HH TYR 31 HH TYR 31 -0.963 -12.271 -1.136 78 HB2 TYR 31 HB2 TYR 31 1.883 -8.892 3.448 79 HB3 TYR 31 HB3 TYR 31 0.306 -8.121 3.562 80 H TYR 32 HN TYR 32 0.362 -5.610 4.096 81 HA TYR 32 HA TYR 32 2.452 -5.463 6.150 82 HD1 TYR 32 HD1 TYR 32 3.990 -3.060 6.751 83 HD2 TYR 32 HD2 TYR 32 1.771 -2.934 3.129 84 HE1 TYR 32 HE1 TYR 32 5.962 -2.159 5.581 85 HE2 TYR 32 HE2 TYR 32 3.729 -2.029 1.951 86 HH TYR 32 HH TYR 32 6.854 -1.963 3.359 87 HB2 TYR 32 HB2 TYR 32 0.648 -3.218 5.228 88 HB3 TYR 32 HB3 TYR 32 1.537 -3.174 6.748 89 H THR 33 HN THR 33 0.909 -4.302 8.183 90 HA THR 33 HA THR 33 -1.271 -6.274 8.419 91 HB THR 33 HB THR 33 -1.070 -5.901 10.901 92 HG1 THR 33 HG1 THR 33 1.238 -4.463 10.032 93 HG21 THR 33 HG23 THR 33 1.346 -6.995 9.462 94 HG22 THR 33 HG21 THR 33 -0.131 -7.879 9.851 95 HG23 THR 33 HG22 THR 33 0.931 -7.318 11.144 96 H LEU 34 HN LEU 34 -3.320 -5.631 8.890 97 HA LEU 34 HA LEU 34 -4.244 -3.052 8.483 98 HG LEU 34 HG LEU 34 -6.661 -2.955 10.400 99 HB2 LEU 34 HB2 LEU 34 -5.620 -5.139 8.587 100 HB3 LEU 34 HB3 LEU 34 -5.460 -5.111 10.333 101 HD11 LEU 34 HD11 LEU 34 -6.076 -2.082 8.222 102 HD12 LEU 34 HD12 LEU 34 -6.964 -3.386 7.433 103 HD13 LEU 34 HD13 LEU 34 -7.831 -2.180 8.380 104 HD21 LEU 34 HD23 LEU 34 -8.877 -3.841 9.790 105 HD22 LEU 34 HD21 LEU 34 -8.095 -5.173 8.943 106 HD23 LEU 34 HD22 LEU 34 -7.914 -5.016 10.687 107 H GLU 35 HN GLU 35 -3.028 -4.630 11.278 108 HA GLU 35 HA GLU 35 -3.732 -3.079 13.431 109 HB2 GLU 35 HB2 GLU 35 -1.169 -4.558 12.843 110 HB3 GLU 35 HB3 GLU 35 -1.517 -3.835 14.401 111 HG2 GLU 35 HG2 GLU 35 -3.552 -5.304 14.503 112 HG3 GLU 35 HG3 GLU 35 -2.923 -6.129 13.074 113 H GLU 36 HN GLU 36 -1.006 -2.709 11.232 114 HA GLU 36 HA GLU 36 0.198 -0.677 12.870 115 HB2 GLU 36 HB2 GLU 36 2.054 -0.820 11.359 116 HB3 GLU 36 HB3 GLU 36 1.487 -2.449 11.687 117 HG2 GLU 36 HG2 GLU 36 0.298 -2.461 9.531 118 HG3 GLU 36 HG3 GLU 36 0.929 -0.845 9.202 119 H ILE 37 HN ILE 37 -1.637 -0.847 9.938 120 HA ILE 37 HA ILE 37 -1.114 1.793 9.015 121 HB ILE 37 HB ILE 37 -3.501 0.027 8.446 122 HG12 ILE 37 HG12 ILE 37 -0.920 0.311 6.894 123 HG13 ILE 37 HG13 ILE 37 -1.275 -1.029 7.978 124 HG21 ILE 37 HG21 ILE 37 -2.351 2.381 6.949 125 HG22 ILE 37 HG22 ILE 37 -3.634 1.330 6.350 126 HG23 ILE 37 HG23 ILE 37 -3.905 2.319 7.784 127 HD11 ILE 37 HD13 ILE 37 -2.809 -0.307 5.495 128 HD12 ILE 37 HD11 ILE 37 -1.661 -1.636 5.667 129 HD13 ILE 37 HD12 ILE 37 -3.168 -1.652 6.579 130 H GLN 38 HN GLN 38 -3.289 0.386 11.316 131 HA GLN 38 HA GLN 38 -4.906 2.706 11.735 132 HB2 GLN 38 HB2 GLN 38 -4.293 0.278 13.418 133 HB3 GLN 38 HB3 GLN 38 -5.380 1.551 13.939 134 HG2 GLN 38 HG2 GLN 38 -5.754 -0.002 11.400 135 HG3 GLN 38 HG3 GLN 38 -6.455 -0.484 12.943 136 HE21 GLN 38 HE21 GLN 38 -6.146 2.841 11.793 137 HE22 GLN 38 HE22 GLN 38 -7.842 3.125 11.628 138 H LYS 39 HN LYS 39 -1.825 1.591 12.786 139 HA LYS 39 HA LYS 39 -1.675 3.418 15.049 140 HB2 LYS 39 HB2 LYS 39 -0.918 0.942 14.970 141 HB3 LYS 39 HB3 LYS 39 0.464 1.539 14.067 142 HG2 LYS 39 HG2 LYS 39 1.213 2.838 15.914 143 HG3 LYS 39 HG3 LYS 39 -0.281 2.534 16.803 144 HD2 LYS 39 HD2 LYS 39 1.518 1.119 17.647 145 HD3 LYS 39 HD3 LYS 39 0.264 0.140 16.885 146 HE2 LYS 39 HE2 LYS 39 1.655 0.154 14.797 147 HE3 LYS 39 HE3 LYS 39 2.941 0.914 15.737 148 HZ1 LYS 39 HZ3 LYS 39 3.285 -1.454 15.621 149 HZ2 LYS 39 HZ1 LYS 39 1.736 -1.757 16.242 150 HZ3 LYS 39 HZ2 LYS 39 2.914 -1.027 17.222 151 H HIS 40 HN HIS 40 -1.315 3.663 11.861 152 HA HIS 40 HA HIS 40 0.980 5.508 11.953 153 HD1 HIS 40 HD1 HIS 40 1.845 1.628 9.691 154 HD2 HIS 40 HD2 HIS 40 3.216 4.805 11.971 155 HE1 HIS 40 HE1 HIS 40 4.061 0.880 10.615 156 HE2 HIS 40 HE2 HIS 40 4.997 2.941 11.720 157 HB2 HIS 40 HB2 HIS 40 0.160 3.466 9.904 158 HB3 HIS 40 HB3 HIS 40 1.131 4.855 9.436 159 H ASN 41 HN ASN 41 -1.941 6.001 12.280 160 HA ASN 41 HA ASN 41 -2.662 7.331 9.756 161 HB2 ASN 41 HB2 ASN 41 -4.939 7.109 10.441 162 HB3 ASN 41 HB3 ASN 41 -4.165 5.568 10.793 163 HD21 ASN 41 HD21 ASN 41 -6.553 6.909 11.920 164 HD22 ASN 41 HD22 ASN 41 -6.288 6.955 13.626 165 H HIS 42 HN HIS 42 -0.817 8.540 11.683 166 HA HIS 42 HA HIS 42 -2.503 10.614 12.904 167 HD1 HIS 42 HD1 HIS 42 1.172 9.385 12.828 168 HD2 HIS 42 HD2 HIS 42 -0.466 7.295 16.021 169 HE1 HIS 42 HE1 HIS 42 2.904 7.685 13.482 170 HE2 HIS 42 HE2 HIS 42 1.784 6.295 15.262 171 HB2 HIS 42 HB2 HIS 42 -1.045 10.445 14.948 172 HB3 HIS 42 HB3 HIS 42 -2.106 9.072 14.665 173 H SER 43 HN SER 43 -0.563 11.968 14.304 174 HA SER 43 HA SER 43 0.313 13.782 12.399 175 HG SER 43 HG SER 43 0.826 13.646 16.393 176 HB2 SER 43 HB2 SER 43 1.718 14.646 14.382 177 HB3 SER 43 HB3 SER 43 -0.032 14.576 14.588 178 H LYS 44 HN LYS 44 2.305 11.555 14.342 179 HA LYS 44 HA LYS 44 4.773 12.390 13.318 180 HB2 LYS 44 HB2 LYS 44 3.782 10.342 15.106 181 HB3 LYS 44 HB3 LYS 44 5.166 9.780 14.180 182 HG2 LYS 44 HG2 LYS 44 6.389 11.823 14.915 183 HG3 LYS 44 HG3 LYS 44 5.022 12.199 15.962 184 HD2 LYS 44 HD2 LYS 44 5.328 10.097 17.148 185 HD3 LYS 44 HD3 LYS 44 6.654 9.665 16.064 186 HE2 LYS 44 HE2 LYS 44 6.603 12.013 17.958 187 HE3 LYS 44 HE3 LYS 44 7.493 10.512 18.197 188 HZ1 LYS 44 HZ3 LYS 44 9.006 12.097 17.372 189 HZ2 LYS 44 HZ1 LYS 44 7.960 12.589 16.134 190 HZ3 LYS 44 HZ2 LYS 44 8.685 11.054 16.074 191 H SER 45 HN SER 45 2.472 10.419 11.851 192 HA SER 45 HA SER 45 3.957 10.043 9.509 193 HG SER 45 HG SER 45 4.256 7.906 8.475 194 HB2 SER 45 HB2 SER 45 5.122 8.261 10.725 195 HB3 SER 45 HB3 SER 45 3.583 7.548 11.200 196 H THR 46 HN THR 46 2.522 9.722 7.856 197 HA THR 46 HA THR 46 -0.264 9.244 8.703 198 HB THR 46 HB THR 46 0.645 11.110 6.507 199 HG1 THR 46 HG1 THR 46 0.270 11.451 9.243 200 HG21 THR 46 HG23 THR 46 -1.638 10.151 6.261 201 HG22 THR 46 HG21 THR 46 -1.625 11.900 6.472 202 HG23 THR 46 HG22 THR 46 -2.065 10.856 7.822 203 H TRP 47 HN TRP 47 -0.517 7.142 8.054 204 HA TRP 47 HA TRP 47 -0.104 6.568 5.211 205 HD1 TRP 47 HD1 TRP 47 2.028 6.529 6.287 206 HE1 TRP 47 HE1 TRP 47 4.232 5.215 6.509 207 HE3 TRP 47 HE3 TRP 47 0.093 1.861 6.992 208 HZ2 TRP 47 HZ2 TRP 47 5.035 2.526 6.914 209 HZ3 TRP 47 HZ3 TRP 47 1.639 -0.032 7.273 210 HH2 TRP 47 HH2 TRP 47 4.058 0.297 7.233 211 HB2 TRP 47 HB2 TRP 47 -0.749 4.761 7.542 212 HB3 TRP 47 HB3 TRP 47 -0.822 4.219 5.868 213 H LEU 48 HN LEU 48 -1.858 5.399 4.096 214 HA LEU 48 HA LEU 48 -4.485 5.446 5.230 215 HG LEU 48 HG LEU 48 -3.988 6.428 1.680 216 HB2 LEU 48 HB2 LEU 48 -5.594 6.838 3.646 217 HB3 LEU 48 HB3 LEU 48 -4.297 7.774 4.359 218 HD11 LEU 48 HD11 LEU 48 -5.946 7.875 1.554 219 HD12 LEU 48 HD12 LEU 48 -5.022 9.206 2.248 220 HD13 LEU 48 HD13 LEU 48 -4.595 8.570 0.660 221 HD21 LEU 48 HD23 LEU 48 -1.939 7.183 2.788 222 HD22 LEU 48 HD21 LEU 48 -2.284 8.142 1.349 223 HD23 LEU 48 HD22 LEU 48 -2.619 8.799 2.952 224 H ILE 49 HN ILE 49 -6.086 4.616 3.495 225 HA ILE 49 HA ILE 49 -4.680 2.848 1.598 226 HB ILE 49 HB ILE 49 -7.266 2.140 3.007 227 HG12 ILE 49 HG12 ILE 49 -4.484 1.135 3.641 228 HG13 ILE 49 HG13 ILE 49 -5.358 2.314 4.610 229 HG21 ILE 49 HG21 ILE 49 -5.321 0.456 1.431 230 HG22 ILE 49 HG22 ILE 49 -6.813 -0.106 2.185 231 HG23 ILE 49 HG23 ILE 49 -6.878 1.043 0.848 232 HD11 ILE 49 HD13 ILE 49 -5.487 0.090 5.577 233 HD12 ILE 49 HD11 ILE 49 -7.081 0.654 5.075 234 HD13 ILE 49 HD12 ILE 49 -6.209 -0.525 4.093 235 H LEU 50 HN LEU 50 -5.740 2.638 -0.451 236 HA LEU 50 HA LEU 50 -7.918 4.588 -0.807 237 HG LEU 50 HG LEU 50 -6.295 6.654 -1.313 238 HB2 LEU 50 HB2 LEU 50 -5.322 4.564 -1.999 239 HB3 LEU 50 HB3 LEU 50 -6.532 4.353 -3.249 240 HD11 LEU 50 HD11 LEU 50 -6.103 6.460 -4.313 241 HD12 LEU 50 HD12 LEU 50 -6.065 7.960 -3.383 242 HD13 LEU 50 HD13 LEU 50 -4.781 6.769 -3.187 243 HD21 LEU 50 HD23 LEU 50 -8.457 6.134 -3.352 244 HD22 LEU 50 HD21 LEU 50 -8.657 6.056 -1.601 245 HD23 LEU 50 HD22 LEU 50 -8.273 7.591 -2.378 246 H HIS 51 HN HIS 51 -6.945 1.409 -1.228 247 HA HIS 51 HA HIS 51 -9.253 0.432 -2.415 248 HD1 HIS 51 HD1 HIS 51 -10.073 -0.858 -5.269 249 HD2 HIS 51 HD2 HIS 51 -9.594 3.261 -5.008 250 HE1 HIS 51 HE1 HIS 51 -12.109 0.130 -6.370 251 HE2 HIS 51 HE2 HIS 51 -11.890 2.622 -6.030 252 HB2 HIS 51 HB2 HIS 51 -7.440 1.665 -4.331 253 HB3 HIS 51 HB3 HIS 51 -7.634 -0.049 -4.668 254 H HIS 52 HN HIS 52 -8.207 -0.795 -0.485 255 HA HIS 52 HA HIS 52 -7.200 -2.668 0.354 256 HD1 HIS 52 HD1 HIS 52 -8.818 -3.520 -3.527 257 HD2 HIS 52 HD2 HIS 52 -8.305 -5.546 0.068 258 HE1 HIS 52 HE1 HIS 52 -10.816 -5.026 -3.307 259 HE2 HIS 52 HE2 HIS 52 -10.337 -6.424 -1.276 260 HB2 HIS 52 HB2 HIS 52 -6.540 -3.204 -2.550 261 HB3 HIS 52 HB3 HIS 52 -6.070 -4.257 -1.235 262 H LYS 53 HN LYS 53 -5.355 -1.010 -2.151 263 HA LYS 53 HA LYS 53 -2.825 -1.693 -1.042 264 HB2 LYS 53 HB2 LYS 53 -3.443 0.402 -3.131 265 HB3 LYS 53 HB3 LYS 53 -1.896 -0.388 -2.843 266 HG2 LYS 53 HG2 LYS 53 -2.780 -2.506 -3.535 267 HG3 LYS 53 HG3 LYS 53 -4.401 -1.833 -3.695 268 HD2 LYS 53 HD2 LYS 53 -3.590 -1.955 -5.888 269 HD3 LYS 53 HD3 LYS 53 -3.348 -0.265 -5.437 270 HE2 LYS 53 HE2 LYS 53 -1.059 -0.516 -5.215 271 HE3 LYS 53 HE3 LYS 53 -1.172 -2.261 -4.992 272 HZ1 LYS 53 HZ3 LYS 53 -1.590 -2.578 -7.270 273 HZ2 LYS 53 HZ1 LYS 53 -0.275 -1.512 -7.185 274 HZ3 LYS 53 HZ2 LYS 53 -1.825 -0.926 -7.554 275 H VAL 54 HN VAL 54 -1.635 -0.672 0.381 276 HA VAL 54 HA VAL 54 -2.772 1.638 1.743 277 HB VAL 54 HB VAL 54 -2.024 -0.261 3.082 278 HG11 VAL 54 HG11 VAL 54 0.733 0.305 2.022 279 HG12 VAL 54 HG12 VAL 54 0.321 -0.862 3.279 280 HG13 VAL 54 HG13 VAL 54 -0.263 -1.099 1.632 281 HG21 VAL 54 HG23 VAL 54 -0.251 2.142 3.493 282 HG22 VAL 54 HG21 VAL 54 -1.908 1.975 4.072 283 HG23 VAL 54 HG22 VAL 54 -0.644 0.924 4.707 284 H TYR 55 HN TYR 55 -1.705 3.584 2.029 285 HA TYR 55 HA TYR 55 0.656 4.072 0.324 286 HD1 TYR 55 HD2 TYR 55 -2.837 3.783 -0.495 287 HD2 TYR 55 HD1 TYR 55 0.021 6.398 -2.247 288 HE1 TYR 55 HE2 TYR 55 -3.545 3.047 -2.733 289 HE2 TYR 55 HE1 TYR 55 -0.672 5.667 -4.486 290 HH TYR 55 HH TYR 55 -1.753 3.688 -5.521 291 HB2 TYR 55 HB2 TYR 55 -1.782 5.798 0.736 292 HB3 TYR 55 HB3 TYR 55 -0.282 6.418 0.073 293 H ASP 56 HN ASP 56 1.712 6.211 0.954 294 HA ASP 56 HA ASP 56 1.346 6.960 3.782 295 HB2 ASP 56 HB2 ASP 56 3.374 5.639 3.782 296 HB3 ASP 56 HB3 ASP 56 3.990 6.480 2.367 297 H LEU 57 HN LEU 57 1.390 9.233 4.084 298 HA LEU 57 HA LEU 57 2.201 10.776 1.705 299 HG LEU 57 HG LEU 57 -1.021 10.346 2.593 300 HB2 LEU 57 HB2 LEU 57 0.387 11.766 3.911 301 HB3 LEU 57 HB3 LEU 57 0.894 12.671 2.510 302 HD11 LEU 57 HD11 LEU 57 -1.988 12.494 3.111 303 HD12 LEU 57 HD12 LEU 57 -1.281 13.196 1.656 304 HD13 LEU 57 HD13 LEU 57 -2.524 11.954 1.520 305 HD21 LEU 57 HD23 LEU 57 -1.143 10.520 0.155 306 HD22 LEU 57 HD21 LEU 57 0.189 11.672 0.167 307 HD23 LEU 57 HD22 LEU 57 0.458 10.006 0.688 308 H THR 58 HN THR 58 1.914 11.282 5.189 309 HA THR 58 HA THR 58 3.234 12.225 6.745 310 HB THR 58 HB THR 58 5.365 10.712 5.251 311 HG1 THR 58 HG1 THR 58 4.221 9.062 5.950 312 HG21 THR 58 HG23 THR 58 6.502 10.620 7.445 313 HG22 THR 58 HG21 THR 58 5.284 11.714 8.101 314 HG23 THR 58 HG22 THR 58 6.371 12.266 6.826 315 H LYS 59 HN LYS 59 5.770 12.407 4.245 316 HA LYS 59 HA LYS 59 6.334 15.126 4.858 317 HB2 LYS 59 HB2 LYS 59 7.195 13.207 2.746 318 HB3 LYS 59 HB3 LYS 59 7.481 14.920 2.483 319 HG2 LYS 59 HG2 LYS 59 8.671 14.976 4.675 320 HG3 LYS 59 HG3 LYS 59 8.527 13.213 4.721 321 HD2 LYS 59 HD2 LYS 59 9.799 12.986 2.714 322 HD3 LYS 59 HD3 LYS 59 9.765 14.729 2.437 323 HE2 LYS 59 HE2 LYS 59 11.117 13.357 4.752 324 HE3 LYS 59 HE3 LYS 59 11.930 13.966 3.311 325 HZ1 LYS 59 HZ3 LYS 59 10.920 16.193 3.918 326 HZ2 LYS 59 HZ1 LYS 59 12.166 15.631 4.924 327 HZ3 LYS 59 HZ2 LYS 59 10.557 15.510 5.428 328 H PHE 60 HN PHE 60 4.225 13.496 2.679 329 HA PHE 60 HA PHE 60 4.138 15.286 0.561 330 HD1 PHE 60 HD1 PHE 60 4.104 14.569 -1.477 331 HD2 PHE 60 HD2 PHE 60 0.170 13.477 -0.242 332 HE1 PHE 60 HE1 PHE 60 3.274 14.979 -3.759 333 HE2 PHE 60 HE2 PHE 60 -0.659 13.879 -2.528 334 HZ PHE 60 HZ PHE 60 0.892 14.630 -4.282 335 HB2 PHE 60 HB2 PHE 60 3.353 12.872 0.647 336 HB3 PHE 60 HB3 PHE 60 1.850 13.501 1.316 337 H LEU 61 HN LEU 61 2.696 15.451 3.574 338 HA LEU 61 HA LEU 61 0.216 16.563 3.245 339 HG LEU 61 HG LEU 61 1.924 14.744 5.305 340 HB2 LEU 61 HB2 LEU 61 2.216 17.160 5.428 341 HB3 LEU 61 HB3 LEU 61 0.483 17.396 5.539 342 HD11 LEU 61 HD11 LEU 61 1.063 14.349 7.542 343 HD12 LEU 61 HD12 LEU 61 2.092 15.778 7.508 344 HD13 LEU 61 HD13 LEU 61 0.338 15.959 7.562 345 HD21 LEU 61 HD23 LEU 61 -0.256 13.706 5.515 346 HD22 LEU 61 HD21 LEU 61 -1.036 15.286 5.564 347 HD23 LEU 61 HD22 LEU 61 -0.227 14.745 4.094 348 H GLU 62 HN GLU 62 3.327 18.055 3.049 349 HA GLU 62 HA GLU 62 2.571 20.779 3.368 350 HB2 GLU 62 HB2 GLU 62 5.009 19.668 1.971 351 HB3 GLU 62 HB3 GLU 62 4.827 21.269 2.668 352 HG2 GLU 62 HG2 GLU 62 4.593 18.858 4.399 353 HG3 GLU 62 HG3 GLU 62 6.178 19.448 3.906 354 H GLU 63 HN GLU 63 2.791 18.590 0.669 355 HA GLU 63 HA GLU 63 2.993 20.825 -1.228 356 HB2 GLU 63 HB2 GLU 63 4.632 18.735 -0.968 357 HB3 GLU 63 HB3 GLU 63 3.459 18.006 -2.056 358 HG2 GLU 63 HG2 GLU 63 5.286 18.938 -3.318 359 HG3 GLU 63 HG3 GLU 63 3.814 19.854 -3.640 360 H HIS 64 HN HIS 64 0.966 18.195 -0.247 361 HA HIS 64 HA HIS 64 -0.458 17.861 -2.631 362 HD1 HIS 64 HD1 HIS 64 -3.783 16.701 0.310 363 HD2 HIS 64 HD2 HIS 64 -2.025 15.514 -3.319 364 HE1 HIS 64 HE1 HIS 64 -5.579 15.439 -1.007 365 HB2 HIS 64 HB3 HIS 64 -0.424 16.199 -0.826 366 HB3 HIS 64 HB2 HIS 64 -1.330 17.261 0.205 367 HA PRO 65 HA PRO 65 -2.403 21.816 -2.705 368 HB2 PRO 65 HB2 PRO 65 -4.403 20.513 -4.472 369 HB3 PRO 65 HB3 PRO 65 -3.367 21.912 -4.779 370 HG2 PRO 65 HG2 PRO 65 -2.830 19.572 -5.917 371 HG3 PRO 65 HG3 PRO 65 -1.521 20.595 -5.292 372 HD2 PRO 65 HD2 PRO 65 -2.776 18.166 -4.067 373 HD3 PRO 65 HD3 PRO 65 -1.060 18.621 -4.159 374 H GLY 66 HN GLY 66 -4.783 19.129 -2.554 375 HA2 GLY 66 HA1 GLY 66 -6.638 21.073 -1.353 376 HA3 GLY 66 HA2 GLY 66 -7.118 19.655 -2.263 377 H GLY 67 HN GLY 67 -5.096 20.263 0.648 378 HA2 GLY 67 HA1 GLY 67 -6.724 19.699 2.623 379 HA3 GLY 67 HA2 GLY 67 -6.577 18.092 1.943 380 H GLU 68 HN GLU 68 -4.563 20.781 3.127 381 HA GLU 68 HA GLU 68 -2.462 19.116 4.093 382 HB2 GLU 68 HB2 GLU 68 -2.088 21.487 3.806 383 HB3 GLU 68 HB3 GLU 68 -3.411 21.874 4.899 384 HG2 GLU 68 HG2 GLU 68 -2.055 20.619 6.675 385 HG3 GLU 68 HG3 GLU 68 -0.704 20.761 5.549 386 H GLU 69 HN GLU 69 -5.384 20.473 5.450 387 HA GLU 69 HA GLU 69 -4.965 19.166 8.023 388 HB2 GLU 69 HB2 GLU 69 -5.603 21.509 8.043 389 HB3 GLU 69 HB3 GLU 69 -6.994 21.181 7.029 390 HG2 GLU 69 HG2 GLU 69 -7.776 21.511 9.235 391 HG3 GLU 69 HG3 GLU 69 -7.913 19.788 8.887 392 H VAL 70 HN VAL 70 -7.161 19.089 5.263 393 HA VAL 70 HA VAL 70 -9.051 17.477 6.753 394 HB VAL 70 HB VAL 70 -10.509 17.661 4.783 395 HG11 VAL 70 HG11 VAL 70 -10.863 20.102 4.960 396 HG12 VAL 70 HG12 VAL 70 -10.641 19.322 6.527 397 HG13 VAL 70 HG13 VAL 70 -9.318 20.236 5.799 398 HG21 VAL 70 HG23 VAL 70 -8.774 17.742 3.048 399 HG22 VAL 70 HG21 VAL 70 -9.893 19.100 2.920 400 HG23 VAL 70 HG22 VAL 70 -8.288 19.341 3.613 401 H LEU 71 HN LEU 71 -6.324 16.650 5.118 402 HA LEU 71 HA LEU 71 -7.366 14.284 3.855 403 HG LEU 71 HG LEU 71 -3.110 14.701 4.003 404 HB2 LEU 71 HB2 LEU 71 -5.239 13.874 3.092 405 HB3 LEU 71 HB3 LEU 71 -5.183 15.599 3.344 406 HD11 LEU 71 HD11 LEU 71 -4.727 15.368 6.435 407 HD12 LEU 71 HD12 LEU 71 -2.966 15.280 6.388 408 HD13 LEU 71 HD13 LEU 71 -3.815 16.478 5.412 409 HD21 LEU 71 HD23 LEU 71 -4.591 12.768 5.772 410 HD22 LEU 71 HD21 LEU 71 -3.710 12.385 4.295 411 HD23 LEU 71 HD22 LEU 71 -2.837 12.970 5.710 412 H ARG 72 HN ARG 72 -6.283 15.306 6.868 413 HA ARG 72 HA ARG 72 -5.350 13.099 8.198 414 HE ARG 72 HE ARG 72 -2.610 16.425 10.201 415 HB2 ARG 72 HB2 ARG 72 -6.912 15.484 9.165 416 HB3 ARG 72 HB3 ARG 72 -6.290 14.269 10.276 417 HG2 ARG 72 HG2 ARG 72 -4.023 14.693 9.495 418 HG3 ARG 72 HG3 ARG 72 -4.633 15.891 8.353 419 HD2 ARG 72 HD2 ARG 72 -5.330 17.332 10.115 420 HD3 ARG 72 HD3 ARG 72 -5.043 16.084 11.333 421 HH11 ARG 72 HH12 ARG 72 -4.931 18.709 11.469 422 HH12 ARG 72 HH11 ARG 72 -3.718 19.752 12.143 423 HH21 ARG 72 HH22 ARG 72 -1.004 17.802 11.088 424 HH22 ARG 72 HH21 ARG 72 -1.483 19.251 11.919 425 H GLU 73 HN GLU 73 -8.682 14.042 7.731 426 HA GLU 73 HA GLU 73 -9.967 12.266 9.485 427 HB2 GLU 73 HB2 GLU 73 -10.921 13.502 6.892 428 HB3 GLU 73 HB3 GLU 73 -11.963 12.713 8.066 429 HG2 GLU 73 HG2 GLU 73 -10.232 15.001 8.883 430 HG3 GLU 73 HG3 GLU 73 -11.767 15.278 8.058 431 H GLN 74 HN GLN 74 -8.647 11.861 6.325 432 HA GLN 74 HA GLN 74 -10.233 9.472 5.760 433 HB2 GLN 74 HB2 GLN 74 -8.345 11.017 3.969 434 HB3 GLN 74 HB3 GLN 74 -9.535 9.817 3.470 435 HG2 GLN 74 HG2 GLN 74 -10.181 12.470 4.751 436 HG3 GLN 74 HG3 GLN 74 -10.254 12.140 3.024 437 HE21 GLN 74 HE21 GLN 74 -11.308 9.443 3.420 438 HE22 GLN 74 HE22 GLN 74 -12.964 9.644 3.864 439 H ALA 75 HN ALA 75 -7.250 10.349 6.984 440 HA ALA 75 HA ALA 75 -5.740 8.091 5.983 441 HB1 ALA 75 HB3 ALA 75 -3.963 8.895 7.470 442 HB2 ALA 75 HB1 ALA 75 -4.604 10.203 6.475 443 HB3 ALA 75 HB2 ALA 75 -5.079 10.069 8.168 444 H GLY 76 HN GLY 76 -5.432 6.165 6.990 445 HA2 GLY 76 HA1 GLY 76 -5.397 5.077 9.298 446 HA3 GLY 76 HA2 GLY 76 -7.020 5.742 9.443 447 H GLY 77 HN GLY 77 -7.500 5.229 6.560 448 HA2 GLY 77 HA1 GLY 77 -7.200 2.444 6.043 449 HA3 GLY 77 HA2 GLY 77 -8.825 2.805 6.631 450 H ASP 78 HN ASP 78 -9.678 2.186 4.543 451 HA ASP 78 HA ASP 78 -8.776 3.408 2.162 452 HB2 ASP 78 HB2 ASP 78 -11.389 2.042 2.797 453 HB3 ASP 78 HB3 ASP 78 -11.010 2.684 1.203 454 H ALA 79 HN ALA 79 -8.949 5.446 1.559 455 HA ALA 79 HA ALA 79 -11.177 7.081 2.550 456 HB1 ALA 79 HB3 ALA 79 -8.952 8.041 2.725 457 HB2 ALA 79 HB1 ALA 79 -8.709 7.848 0.989 458 HB3 ALA 79 HB2 ALA 79 -9.933 8.965 1.592 459 H THR 80 HN THR 80 -11.252 4.888 0.443 460 HA THR 80 HA THR 80 -11.272 6.141 -2.103 461 HB THR 80 HB THR 80 -10.599 3.815 -1.843 462 HG1 THR 80 HG1 THR 80 -12.826 4.382 -3.501 463 HG21 THR 80 HG23 THR 80 -13.496 3.255 -1.202 464 HG22 THR 80 HG21 THR 80 -12.152 3.166 -0.065 465 HG23 THR 80 HG22 THR 80 -12.228 2.050 -1.429 466 H GLU 81 HN GLU 81 -13.624 6.353 0.235 467 HA GLU 81 HA GLU 81 -15.978 5.895 -1.266 468 HB2 GLU 81 HB2 GLU 81 -16.177 6.100 1.118 469 HB3 GLU 81 HB3 GLU 81 -15.483 7.718 1.092 470 HG2 GLU 81 HG2 GLU 81 -17.400 8.633 0.065 471 HG3 GLU 81 HG3 GLU 81 -18.042 7.042 -0.330 472 H ASN 82 HN ASN 82 -14.364 8.921 -0.432 473 HA ASN 82 HA ASN 82 -15.931 10.672 -1.942 474 HB2 ASN 82 HB2 ASN 82 -12.999 11.025 -1.283 475 HB3 ASN 82 HB3 ASN 82 -14.187 12.289 -1.576 476 HD21 ASN 82 HD21 ASN 82 -15.676 12.815 0.034 477 HD22 ASN 82 HD22 ASN 82 -15.473 12.291 1.667 478 H PHE 83 HN PHE 83 -13.198 8.751 -2.703 479 HA PHE 83 HA PHE 83 -12.285 9.860 -5.096 480 HD1 PHE 83 HD1 PHE 83 -9.437 9.024 -5.397 481 HD2 PHE 83 HD2 PHE 83 -12.149 5.842 -6.170 482 HE1 PHE 83 HE1 PHE 83 -8.082 8.345 -7.327 483 HE2 PHE 83 HE2 PHE 83 -10.803 5.155 -8.115 484 HZ PHE 83 HZ PHE 83 -8.762 6.407 -8.692 485 HB2 PHE 83 HB2 PHE 83 -11.028 8.270 -3.710 486 HB3 PHE 83 HB3 PHE 83 -12.195 7.009 -4.078 487 H GLU 84 HN GLU 84 -14.812 7.543 -4.421 488 HA GLU 84 HA GLU 84 -15.110 6.704 -7.171 489 HB2 GLU 84 HB2 GLU 84 -16.691 6.049 -4.680 490 HB3 GLU 84 HB3 GLU 84 -16.922 5.291 -6.248 491 HG2 GLU 84 HG2 GLU 84 -14.384 5.184 -4.644 492 HG3 GLU 84 HG3 GLU 84 -15.616 3.924 -4.685 493 H ASP 85 HN ASP 85 -16.552 8.948 -4.998 494 HA ASP 85 HA ASP 85 -19.021 9.180 -6.532 495 HB2 ASP 85 HB2 ASP 85 -18.891 9.144 -3.972 496 HB3 ASP 85 HB3 ASP 85 -18.249 10.777 -4.090 497 H VAL 86 HN VAL 86 -16.259 11.155 -5.551 498 HA VAL 86 HA VAL 86 -16.745 12.885 -7.889 499 HB VAL 86 HB VAL 86 -15.552 13.725 -5.227 500 HG11 VAL 86 HG11 VAL 86 -15.441 15.977 -6.179 501 HG12 VAL 86 HG12 VAL 86 -14.434 14.848 -7.079 502 HG13 VAL 86 HG13 VAL 86 -15.993 15.354 -7.733 503 HG21 VAL 86 HG23 VAL 86 -18.129 14.525 -6.568 504 HG22 VAL 86 HG21 VAL 86 -17.973 13.525 -5.126 505 HG23 VAL 86 HG22 VAL 86 -17.494 15.222 -5.078 506 H GLY 87 HN GLY 87 -15.382 11.978 -9.297 507 HA2 GLY 87 HA1 GLY 87 -13.183 10.401 -8.676 508 HA3 GLY 87 HA2 GLY 87 -13.456 11.160 -10.236 509 H HIS 88 HN HIS 88 -11.072 10.661 -8.430 510 HA HIS 88 HA HIS 88 -10.009 13.204 -7.723 511 HD1 HIS 88 HD1 HIS 88 -6.302 12.191 -8.750 512 HD2 HIS 88 HD2 HIS 88 -8.005 12.559 -4.956 513 HE1 HIS 88 HE1 HIS 88 -4.571 13.326 -7.291 514 HB2 HIS 88 HB2 HIS 88 -9.292 10.931 -6.817 515 HB3 HIS 88 HB3 HIS 88 -8.443 10.685 -8.333 516 H SER 89 HN SER 89 -7.867 13.971 -8.817 517 HA SER 89 HA SER 89 -8.571 14.470 -11.559 518 HG SER 89 HG SER 89 -6.031 16.479 -11.974 519 HB2 SER 89 HB2 SER 89 -7.769 16.188 -9.887 520 HB3 SER 89 HB3 SER 89 -6.180 15.493 -10.138 521 H THR 90 HN THR 90 -7.740 11.774 -11.004 522 HA THR 90 HA THR 90 -6.637 10.117 -12.084 523 HB THR 90 HB THR 90 -5.480 12.304 -13.828 524 HG1 THR 90 HG1 THR 90 -7.520 12.427 -14.408 525 HG21 THR 90 HG23 THR 90 -5.211 10.526 -15.494 526 HG22 THR 90 HG21 THR 90 -5.784 9.337 -14.327 527 HG23 THR 90 HG22 THR 90 -4.264 10.183 -14.046 528 H ASP 91 HN ASP 91 -4.894 12.660 -10.588 529 HA ASP 91 HA ASP 91 -2.254 11.752 -10.788 530 HB2 ASP 91 HB2 ASP 91 -3.345 12.919 -8.247 531 HB3 ASP 91 HB3 ASP 91 -1.775 13.185 -9.003 532 H ALA 92 HN ALA 92 -4.544 11.193 -8.120 533 HA ALA 92 HA ALA 92 -3.058 8.987 -7.057 534 HB1 ALA 92 HB3 ALA 92 -5.904 9.793 -6.471 535 HB2 ALA 92 HB1 ALA 92 -4.882 8.735 -5.498 536 HB3 ALA 92 HB2 ALA 92 -4.479 10.443 -5.663 537 H ARG 93 HN ARG 93 -3.035 8.119 -9.328 538 HA ARG 93 HA ARG 93 -4.670 5.835 -9.582 539 HE ARG 93 HE ARG 93 -7.308 5.010 -13.783 540 HB2 ARG 93 HB2 ARG 93 -6.245 7.492 -10.440 541 HB3 ARG 93 HB3 ARG 93 -5.007 8.159 -11.498 542 HG2 ARG 93 HG2 ARG 93 -4.944 6.105 -12.756 543 HG3 ARG 93 HG3 ARG 93 -6.138 5.397 -11.672 544 HD2 ARG 93 HD2 ARG 93 -7.717 7.203 -12.313 545 HD3 ARG 93 HD3 ARG 93 -6.528 7.778 -13.478 546 HH11 ARG 93 HH12 ARG 93 -7.888 8.332 -14.744 547 HH12 ARG 93 HH11 ARG 93 -8.786 7.902 -16.168 548 HH21 ARG 93 HH22 ARG 93 -8.506 4.436 -15.663 549 HH22 ARG 93 HH21 ARG 93 -9.109 5.694 -16.702 550 H GLU 94 HN GLU 94 -2.601 8.233 -11.075 551 HA GLU 94 HA GLU 94 -1.022 6.141 -12.412 552 HB2 GLU 94 HB2 GLU 94 -1.783 8.930 -13.189 553 HB3 GLU 94 HB3 GLU 94 -0.278 8.243 -13.798 554 HG2 GLU 94 HG2 GLU 94 -2.992 6.992 -14.128 555 HG3 GLU 94 HG3 GLU 94 -2.174 7.978 -15.342 556 H MET 95 HN MET 95 -0.754 9.360 -10.947 557 HA MET 95 HA MET 95 2.109 9.293 -10.904 558 HB2 MET 95 HB2 MET 95 0.839 11.389 -11.172 559 HB3 MET 95 HB3 MET 95 0.173 11.191 -9.557 560 HG2 MET 95 HG2 MET 95 2.377 11.432 -8.586 561 HG3 MET 95 HG3 MET 95 3.095 11.539 -10.193 562 HE1 MET 95 HE3 MET 95 3.822 13.631 -8.107 563 HE2 MET 95 HE1 MET 95 4.312 13.895 -9.780 564 HE3 MET 95 HE2 MET 95 3.536 15.192 -8.874 565 H SER 96 HN SER 96 -0.402 8.334 -8.767 566 HA SER 96 HA SER 96 1.024 8.779 -6.325 567 HG SER 96 HG SER 96 -1.979 6.357 -6.546 568 HB2 SER 96 HB2 SER 96 -0.959 7.719 -5.290 569 HB3 SER 96 HB3 SER 96 -1.378 9.023 -6.401 570 H LYS 97 HN LYS 97 1.284 6.479 -8.651 571 HA LYS 97 HA LYS 97 0.945 4.008 -7.405 572 HB2 LYS 97 HB2 LYS 97 2.563 4.814 -9.817 573 HB3 LYS 97 HB3 LYS 97 2.374 3.141 -9.316 574 HG2 LYS 97 HG2 LYS 97 -0.166 3.639 -9.461 575 HG3 LYS 97 HG3 LYS 97 0.336 5.022 -10.433 576 HD2 LYS 97 HD2 LYS 97 1.132 2.166 -10.993 577 HD3 LYS 97 HD3 LYS 97 -0.223 2.982 -11.766 578 HE2 LYS 97 HE2 LYS 97 2.632 3.955 -11.898 579 HE3 LYS 97 HE3 LYS 97 1.895 2.916 -13.114 580 HZ1 LYS 97 HZ3 LYS 97 0.263 4.648 -13.559 581 HZ2 LYS 97 HZ1 LYS 97 1.842 5.237 -13.767 582 HZ3 LYS 97 HZ2 LYS 97 0.969 5.634 -12.374 583 H THR 98 HN THR 98 3.557 6.195 -7.212 584 HA THR 98 HA THR 98 5.492 4.200 -6.352 585 HB THR 98 HB THR 98 6.937 6.308 -6.028 586 HG1 THR 98 HG1 THR 98 5.810 7.916 -7.685 587 HG21 THR 98 HG23 THR 98 5.895 5.704 -8.799 588 HG22 THR 98 HG21 THR 98 7.148 4.788 -7.964 589 HG23 THR 98 HG22 THR 98 7.433 6.471 -8.409 590 H PHE 99 HN PHE 99 3.027 5.945 -4.934 591 HA PHE 99 HA PHE 99 4.318 6.131 -2.318 592 HD1 PHE 99 HD1 PHE 99 3.779 8.427 -0.741 593 HD2 PHE 99 HD2 PHE 99 2.411 8.730 -4.761 594 HE1 PHE 99 HE1 PHE 99 4.792 10.665 -0.912 595 HE2 PHE 99 HE2 PHE 99 3.424 10.969 -4.940 596 HZ PHE 99 HZ PHE 99 4.609 11.939 -3.006 597 HB2 PHE 99 HB2 PHE 99 1.622 7.003 -3.357 598 HB3 PHE 99 HB3 PHE 99 1.991 6.979 -1.637 599 H ILE 100 HN ILE 100 2.590 3.929 -4.180 600 HA ILE 100 HA ILE 100 1.037 2.726 -2.120 601 HB ILE 100 HB ILE 100 1.919 1.250 -4.592 602 HG12 ILE 100 HG12 ILE 100 -0.361 3.238 -4.384 603 HG13 ILE 100 HG13 ILE 100 1.113 3.467 -5.321 604 HG21 ILE 100 HG21 ILE 100 -0.575 1.175 -2.915 605 HG22 ILE 100 HG22 ILE 100 -0.249 0.170 -4.328 606 HG23 ILE 100 HG23 ILE 100 0.742 0.004 -2.879 607 HD11 ILE 100 HD13 ILE 100 0.509 1.552 -6.717 608 HD12 ILE 100 HD11 ILE 100 -0.984 1.362 -5.798 609 HD13 ILE 100 HD12 ILE 100 -0.719 2.817 -6.757 610 H ILE 101 HN ILE 101 2.403 2.197 -0.394 611 HA ILE 101 HA ILE 101 4.898 0.883 -0.763 612 HB ILE 101 HB ILE 101 4.769 0.496 1.733 613 HG12 ILE 101 HG12 ILE 101 2.256 2.145 1.400 614 HG13 ILE 101 HG13 ILE 101 2.348 0.494 2.001 615 HG21 ILE 101 HG21 ILE 101 5.932 2.385 0.703 616 HG22 ILE 101 HG22 ILE 101 4.436 3.322 0.723 617 HG23 ILE 101 HG23 ILE 101 5.195 2.842 2.242 618 HD11 ILE 101 HD13 ILE 101 3.469 2.946 3.338 619 HD12 ILE 101 HD11 ILE 101 2.042 2.034 3.828 620 HD13 ILE 101 HD12 ILE 101 3.636 1.294 3.937 621 H GLY 102 HN GLY 102 1.654 -0.266 -0.567 622 HA2 GLY 102 HA1 GLY 102 2.082 -2.715 -1.623 623 HA3 GLY 102 HA2 GLY 102 2.422 -2.984 0.082 624 H GLU 103 HN GLU 103 0.671 -4.357 0.384 625 HA GLU 103 HA GLU 103 -1.902 -2.948 0.498 626 HB2 GLU 103 HB2 GLU 103 -1.423 -5.701 -0.639 627 HB3 GLU 103 HB3 GLU 103 -3.010 -5.167 -0.101 628 HG2 GLU 103 HG2 GLU 103 -2.916 -3.316 -1.702 629 HG3 GLU 103 HG3 GLU 103 -1.343 -3.887 -2.255 630 H LEU 104 HN LEU 104 -3.388 -5.032 1.606 631 HA LEU 104 HA LEU 104 -2.386 -4.811 4.305 632 HG LEU 104 HG LEU 104 -5.057 -3.958 2.463 633 HB2 LEU 104 HB2 LEU 104 -4.901 -6.194 3.416 634 HB3 LEU 104 HB3 LEU 104 -4.545 -5.521 4.993 635 HD11 LEU 104 HD11 LEU 104 -7.050 -3.185 3.603 636 HD12 LEU 104 HD12 LEU 104 -7.055 -4.944 3.475 637 HD13 LEU 104 HD13 LEU 104 -6.651 -4.170 5.012 638 HD21 LEU 104 HD23 LEU 104 -3.374 -2.858 3.849 639 HD22 LEU 104 HD21 LEU 104 -4.899 -1.970 3.853 640 HD23 LEU 104 HD22 LEU 104 -4.452 -2.961 5.242 641 H HIS 105 HN HIS 105 -2.695 -6.835 5.770 642 HA HIS 105 HA HIS 105 -0.947 -8.861 5.002 643 HD1 HIS 105 HD1 HIS 105 -2.182 -11.556 8.163 644 HD2 HIS 105 HD2 HIS 105 0.807 -8.982 6.797 645 HE1 HIS 105 HE1 HIS 105 0.000 -12.547 8.949 646 HE2 HIS 105 HE2 HIS 105 1.777 -10.908 8.227 647 HB2 HIS 105 HB2 HIS 105 -2.208 -8.193 7.308 648 HB3 HIS 105 HB3 HIS 105 -3.100 -9.646 6.872 649 HA PRO 106 HA PRO 106 -2.952 -11.966 2.428 650 HB2 PRO 106 HB2 PRO 106 -2.736 -14.044 4.399 651 HB3 PRO 106 HB3 PRO 106 -1.753 -13.801 2.958 652 HG2 PRO 106 HG2 PRO 106 -1.211 -13.039 5.756 653 HG3 PRO 106 HG3 PRO 106 -0.077 -13.365 4.432 654 HD2 PRO 106 HD2 PRO 106 -0.493 -10.878 5.344 655 HD3 PRO 106 HD3 PRO 106 -0.220 -11.201 3.614 656 H ASP 107 HN ASP 107 -3.881 -11.646 5.789 657 HA ASP 107 HA ASP 107 -6.368 -13.073 5.579 658 HB2 ASP 107 HB2 ASP 107 -5.480 -11.196 7.774 659 HB3 ASP 107 HB3 ASP 107 -6.642 -12.512 7.892 660 H ASP 108 HN ASP 108 -5.217 -9.834 5.422 661 HA ASP 108 HA ASP 108 -7.783 -8.597 5.937 662 HB2 ASP 108 HB2 ASP 108 -5.183 -7.270 5.168 663 HB3 ASP 108 HB3 ASP 108 -6.587 -6.506 5.890 664 H ARG 109 HN ARG 109 -5.661 -9.273 3.308 665 HA ARG 109 HA ARG 109 -6.411 -7.226 1.547 666 HE ARG 109 HE ARG 109 -3.765 -7.246 -2.545 667 HB2 ARG 109 HB2 ARG 109 -4.290 -8.601 1.437 668 HB3 ARG 109 HB3 ARG 109 -5.252 -9.888 0.721 669 HG2 ARG 109 HG2 ARG 109 -5.946 -8.127 -1.012 670 HG3 ARG 109 HG3 ARG 109 -4.576 -7.198 -0.407 671 HD2 ARG 109 HD2 ARG 109 -3.161 -9.247 -0.844 672 HD3 ARG 109 HD3 ARG 109 -4.549 -9.906 -1.713 673 HH11 ARG 109 HH12 ARG 109 -3.282 -10.687 -3.108 674 HH12 ARG 109 HH11 ARG 109 -2.718 -10.464 -4.731 675 HH21 ARG 109 HH22 ARG 109 -3.005 -6.958 -4.642 676 HH22 ARG 109 HH21 ARG 109 -2.567 -8.340 -5.613 677 HA PRO 110 HA PRO 110 -9.536 -10.121 -0.428 678 HB2 PRO 110 HB2 PRO 110 -9.883 -12.657 0.351 679 HB3 PRO 110 HB3 PRO 110 -8.553 -12.196 -0.720 680 HG2 PRO 110 HG2 PRO 110 -8.507 -12.847 2.181 681 HG3 PRO 110 HG3 PRO 110 -7.279 -13.145 0.939 682 HD2 PRO 110 HD2 PRO 110 -7.311 -11.032 2.799 683 HD3 PRO 110 HD3 PRO 110 -6.259 -11.176 1.380 684 H LYS 111 HN LYS 111 -9.184 -10.367 3.040 685 HA LYS 111 HA LYS 111 -10.611 -9.897 4.752 686 HB2 LYS 111 HB2 LYS 111 -12.644 -9.325 2.579 687 HB3 LYS 111 HB3 LYS 111 -12.857 -8.971 4.291 688 HG2 LYS 111 HG2 LYS 111 -11.145 -7.339 4.270 689 HG3 LYS 111 HG3 LYS 111 -10.584 -7.847 2.680 690 HD2 LYS 111 HD2 LYS 111 -11.811 -5.756 2.521 691 HD3 LYS 111 HD3 LYS 111 -12.674 -7.044 1.686 692 HE2 LYS 111 HE2 LYS 111 -13.398 -6.618 4.514 693 HE3 LYS 111 HE3 LYS 111 -13.835 -5.322 3.399 694 HZ1 LYS 111 HZ3 LYS 111 -15.569 -7.051 3.711 695 HZ2 LYS 111 HZ1 LYS 111 -14.540 -8.175 2.963 696 HZ3 LYS 111 HZ2 LYS 111 -15.106 -6.833 2.097 697 H LEU 112 HN LEU 112 -11.795 -11.909 2.169 698 HA LEU 112 HA LEU 112 -12.957 -13.790 4.103 699 HG LEU 112 HG LEU 112 -13.894 -15.921 2.134 700 HB2 LEU 112 HB2 LEU 112 -14.336 -12.931 2.147 701 HB3 LEU 112 HB3 LEU 112 -13.227 -13.775 1.086 702 HD11 LEU 112 HD11 LEU 112 -14.548 -15.060 4.319 703 HD12 LEU 112 HD12 LEU 112 -15.921 -14.230 3.587 704 HD13 LEU 112 HD13 LEU 112 -15.852 -15.991 3.582 705 HD21 LEU 112 HD23 LEU 112 -16.113 -16.030 1.117 706 HD22 LEU 112 HD21 LEU 112 -16.174 -14.268 1.055 707 HD23 LEU 112 HD22 LEU 112 -14.981 -15.144 0.094 708 H ASN 113 HN ASN 113 -12.622 -16.093 2.328 709 HA ASN 113 HA ASN 113 -9.843 -16.650 2.820 710 HB2 ASN 113 HB2 ASN 113 -11.790 -18.331 2.940 711 HB3 ASN 113 HB3 ASN 113 -11.699 -18.379 1.184 712 HD21 ASN 113 HD21 ASN 113 -10.121 -19.222 4.166 713 HD22 ASN 113 HD22 ASN 113 -8.944 -20.281 3.479 714 H LYS 114 HN LYS 114 -8.682 -17.837 0.822 715 HA LYS 114 HA LYS 114 -8.698 -15.848 -1.341 716 HB2 LYS 114 HB2 LYS 114 -6.525 -17.705 -0.364 717 HB3 LYS 114 HB3 LYS 114 -6.372 -16.650 -1.760 718 HG2 LYS 114 HG2 LYS 114 -6.585 -14.702 -0.370 719 HG3 LYS 114 HG3 LYS 114 -6.901 -15.707 1.047 720 HD2 LYS 114 HD2 LYS 114 -4.581 -14.927 0.983 721 HD3 LYS 114 HD3 LYS 114 -4.686 -16.686 0.869 722 HE2 LYS 114 HE2 LYS 114 -4.538 -16.422 -1.627 723 HE3 LYS 114 HE3 LYS 114 -4.160 -14.722 -1.352 724 HZ1 LYS 114 HZ3 LYS 114 -2.239 -15.429 -0.033 725 HZ2 LYS 114 HZ1 LYS 114 -2.154 -16.006 -1.628 726 HZ3 LYS 114 HZ2 LYS 114 -2.602 -17.048 -0.370 727 HA PRO 115 HA PRO 115 -9.652 -18.896 -4.472 728 HB2 PRO 115 HB2 PRO 115 -7.095 -18.270 -5.839 729 HB3 PRO 115 HB3 PRO 115 -8.746 -18.205 -6.462 730 HG2 PRO 115 HG2 PRO 115 -7.390 -15.969 -5.899 731 HG3 PRO 115 HG3 PRO 115 -9.133 -16.097 -5.590 732 HD2 PRO 115 HD2 PRO 115 -6.851 -16.253 -3.666 733 HD3 PRO 115 HD3 PRO 115 -8.454 -15.513 -3.464 734 HA PRO 116 HA PRO 116 -7.109 -22.211 -2.718 735 HB2 PRO 116 HB2 PRO 116 -9.100 -23.884 -4.111 736 HB3 PRO 116 HB3 PRO 116 -8.659 -23.857 -2.402 737 HG2 PRO 116 HG2 PRO 116 -11.015 -22.901 -3.269 738 HG3 PRO 116 HG3 PRO 116 -10.149 -22.169 -1.905 739 HD2 PRO 116 HD2 PRO 116 -10.338 -21.251 -4.746 740 HD3 PRO 116 HD3 PRO 116 -10.365 -20.294 -3.249 741 H GLU 117 HN GLU 117 -8.544 -22.112 -5.902 742 HA GLU 117 HA GLU 117 -5.969 -22.748 -7.128 743 HB2 GLU 117 HB2 GLU 117 -8.563 -23.933 -8.138 744 HB3 GLU 117 HB3 GLU 117 -6.941 -24.257 -8.729 745 HG2 GLU 117 HG2 GLU 117 -6.388 -25.448 -6.721 746 HG3 GLU 117 HG3 GLU 117 -7.929 -25.004 -5.988 747 H THR 118 HN THR 118 -6.139 -22.108 -9.568 748 HA THR 118 HA THR 118 -7.000 -19.446 -9.645 749 HB THR 118 HB THR 118 -5.231 -20.271 -11.110 750 HG1 THR 118 HG1 THR 118 -6.204 -18.372 -11.768 751 HG21 THR 118 HG23 THR 118 -6.147 -22.446 -11.717 752 HG22 THR 118 HG21 THR 118 -5.774 -21.508 -13.164 753 HG23 THR 118 HG22 THR 118 -7.445 -21.662 -12.622 754 H LEU 119 HN LEU 119 -8.603 -22.400 -10.828 755 HA LEU 119 HA LEU 119 -11.174 -21.220 -10.612 756 HG LEU 119 HG LEU 119 -12.712 -21.924 -13.066 757 HB2 LEU 119 HB2 LEU 119 -10.287 -20.158 -12.709 758 HB3 LEU 119 HB3 LEU 119 -10.234 -21.755 -13.424 759 HD11 LEU 119 HD11 LEU 119 -12.396 -19.019 -12.339 760 HD12 LEU 119 HD12 LEU 119 -13.928 -19.808 -12.700 761 HD13 LEU 119 HD13 LEU 119 -12.989 -20.312 -11.296 762 HD21 LEU 119 HD23 LEU 119 -11.695 -19.657 -14.777 763 HD22 LEU 119 HD21 LEU 119 -11.798 -21.356 -15.238 764 HD23 LEU 119 HD22 LEU 119 -13.272 -20.432 -14.945 765 H ILE 120 HN ILE 120 -10.391 -23.462 -9.441 766 HA ILE 120 HA ILE 120 -10.965 -25.637 -9.055 767 HB ILE 120 HB ILE 120 -13.345 -25.104 -10.828 768 HG12 ILE 120 HG12 ILE 120 -12.962 -24.233 -7.954 769 HG13 ILE 120 HG13 ILE 120 -12.971 -23.155 -9.349 770 HG21 ILE 120 HG21 ILE 120 -13.060 -26.692 -8.274 771 HG22 ILE 120 HG22 ILE 120 -14.522 -26.538 -9.249 772 HG23 ILE 120 HG23 ILE 120 -13.114 -27.374 -9.899 773 HD11 ILE 120 HD13 ILE 120 -15.280 -23.740 -9.801 774 HD12 ILE 120 HD11 ILE 120 -15.272 -24.866 -8.443 775 HD13 ILE 120 HD12 ILE 120 -15.095 -23.134 -8.156 776 H THR 121 HN THR 121 -9.141 -25.458 -11.106 777 HA THR 121 HA THR 121 -8.120 -26.539 -12.789 778 HB THR 121 HB THR 121 -8.467 -28.884 -13.130 779 HG1 THR 121 HG1 THR 121 -10.970 -28.456 -11.844 780 HG21 THR 121 HG23 THR 121 -7.389 -28.230 -11.040 781 HG22 THR 121 HG21 THR 121 -8.317 -29.718 -10.840 782 HG23 THR 121 HG22 THR 121 -8.959 -28.191 -10.235 783 H THR 122 HN THR 122 -11.655 -26.844 -13.173 784 HA THR 122 HA THR 122 -11.279 -26.458 -16.068 785 HB THR 122 HB THR 122 -13.358 -28.308 -14.900 786 HG1 THR 122 HG1 THR 122 -11.176 -29.013 -14.393 787 HG21 THR 122 HG23 THR 122 -13.786 -27.555 -17.169 788 HG22 THR 122 HG21 THR 122 -13.330 -29.260 -17.182 789 HG23 THR 122 HG22 THR 122 -12.159 -28.028 -17.661 790 H ILE 123 HN ILE 123 -12.981 -25.366 -17.125 791 HA ILE 123 HA ILE 123 -14.475 -23.611 -15.367 792 HB ILE 123 HB ILE 123 -13.203 -22.700 -17.307 793 HG12 ILE 123 HG12 ILE 123 -16.189 -22.219 -17.468 794 HG13 ILE 123 HG13 ILE 123 -15.104 -21.477 -16.297 795 HG21 ILE 123 HG21 ILE 123 -13.598 -24.493 -18.901 796 HG22 ILE 123 HG22 ILE 123 -15.310 -24.083 -18.961 797 HG23 ILE 123 HG23 ILE 123 -14.112 -22.943 -19.572 798 HD11 ILE 123 HD13 ILE 123 -13.901 -20.380 -18.113 799 HD12 ILE 123 HD11 ILE 123 -15.009 -21.100 -19.281 800 HD13 ILE 123 HD12 ILE 123 -15.609 -19.945 -18.089 801 H ASP 124 HN ASP 124 -16.708 -23.401 -15.355 802 HA ASP 124 HA ASP 124 -18.182 -25.798 -15.659 803 HB2 ASP 124 HB2 ASP 124 -18.762 -24.193 -13.944 804 HB3 ASP 124 HB3 ASP 124 -19.058 -22.947 -15.148 805 H SER 125 HN SER 125 -19.092 -22.692 -17.097 806 HA SER 125 HA SER 125 -19.528 -24.056 -19.665 807 HG SER 125 HG SER 125 -21.605 -23.922 -17.413 808 HB2 SER 125 HB2 SER 125 -21.305 -21.920 -18.451 809 HB3 SER 125 HB3 SER 125 -21.554 -22.722 -20.000 810 H SER 126 HN SER 126 -20.420 -21.529 -20.899 811 HA SER 126 HA SER 126 -17.837 -20.338 -21.356 812 HG SER 126 HG SER 126 -18.660 -18.016 -22.577 813 HB2 SER 126 HB2 SER 126 -19.516 -20.649 -23.173 814 HB3 SER 126 HB3 SER 126 -20.558 -19.475 -22.376 815 H SER 127 HN SER 127 -19.161 -20.139 -18.681 816 HA SER 127 HA SER 127 -19.535 -18.696 -16.986 817 HG SER 127 HG SER 127 -16.928 -18.600 -18.271 818 HB2 SER 127 HB2 SER 127 -18.157 -16.671 -18.771 819 HB3 SER 127 HB3 SER 127 -18.416 -16.523 -17.032 820 H SER 128 HN SER 128 -20.222 -15.938 -17.018 821 HA SER 128 HA SER 128 -22.409 -15.593 -18.865 822 HG SER 128 HG SER 128 -24.281 -14.507 -17.745 823 HB2 SER 128 HB2 SER 128 -23.375 -17.027 -17.030 824 HB3 SER 128 HB3 SER 128 -23.013 -15.723 -15.899 825 HHA HEM 129 HHA HEM 129 -5.013 18.049 -6.379 826 HHB HEM 129 HHB HEM 129 -1.086 12.932 -6.073 827 HHC HEM 129 HHC HEM 129 -4.805 10.387 -1.543 828 HHD HEM 129 HHD HEM 129 -8.938 15.318 -2.073 829 HAB HEM 129 HAB HEM 129 -1.702 9.627 -1.310 830 HAC HEM 129 HAC HEM 129 -10.048 13.590 -0.870 831 HMA1 HEM 129 HMA1 HEM 129 -0.450 16.153 -8.230 832 HMA2 HEM 129 HMA2 HEM 129 0.189 15.440 -6.750 833 HMA3 HEM 129 HMA3 HEM 129 -0.486 14.404 -8.016 834 HAA1 HEM 129 HAA1 HEM 129 -1.918 18.005 -8.275 835 HAA2 HEM 129 HAA2 HEM 129 -2.673 16.848 -8.847 836 HBA1 HEM 129 HBA1 HEM 129 -4.448 18.949 -8.539 837 HBA2 HEM 129 HBA2 HEM 129 -4.941 17.249 -8.678 838 HMB1 HEM 129 HMB1 HEM 129 0.488 11.228 -3.912 839 HMB2 HEM 129 HMB2 HEM 129 -0.333 10.193 -5.256 840 HMB3 HEM 129 HMB3 HEM 129 -0.415 10.047 -3.741 841 HBB1 HEM 129 HBB1 HEM 129 -3.557 8.311 -3.338 842 HBB2 HEM 129 HBB2 HEM 129 -2.619 7.505 -1.935 843 HMC1 HEM 129 HMC1 HEM 129 -6.303 10.045 -0.150 844 HMC2 HEM 129 HMC2 HEM 129 -7.785 10.699 0.562 845 HMC3 HEM 129 HMC3 HEM 129 -7.817 9.781 -0.987 846 HBC1 HEM 129 HBC1 HEM 129 -10.443 12.633 1.258 847 HBC2 HEM 129 HBC2 HEM 129 -8.737 11.916 1.329 848 HMD1 HEM 129 HMD1 HEM 129 -9.722 17.270 -2.380 849 HMD2 HEM 129 HMD2 HEM 129 -9.604 18.760 -3.514 850 HMD3 HEM 129 HMD3 HEM 129 -8.585 18.270 -2.507 851 HAD1 HEM 129 HAD1 HEM 129 -8.447 18.659 -6.512 852 HAD2 HEM 129 HAD2 HEM 129 -8.330 19.156 -5.087 853 HBD1 HEM 129 HBD1 HEM 129 -7.026 20.631 -6.794 854 HBD2 HEM 129 HBD2 HEM 129 -5.930 20.120 -5.504 Start of MODEL 11 1 HA MET 21 HA MET 21 17.167 -6.649 -10.769 2 H1 MET 21 1H MET 21 16.190 -4.765 -11.425 3 HB2 MET 21 HB2 MET 21 16.836 -5.363 -8.077 4 HB3 MET 21 HB3 MET 21 17.591 -6.941 -8.270 5 HG2 MET 21 HG2 MET 21 19.239 -5.907 -9.786 6 HG3 MET 21 HG3 MET 21 18.508 -4.338 -9.447 7 HE1 MET 21 HE3 MET 21 21.959 -4.271 -7.525 8 HE2 MET 21 HE1 MET 21 21.620 -5.111 -9.040 9 HE3 MET 21 HE2 MET 21 20.967 -3.495 -8.764 10 H ALA 22 HN ALA 22 15.088 -6.486 -7.913 11 HA ALA 22 HA ALA 22 13.729 -8.911 -8.891 12 HB1 ALA 22 HB3 ALA 22 15.445 -9.567 -7.298 13 HB2 ALA 22 HB1 ALA 22 14.765 -8.473 -6.094 14 HB3 ALA 22 HB2 ALA 22 13.833 -9.865 -6.650 15 H GLU 23 HN GLU 23 12.289 -6.992 -9.455 16 HA GLU 23 HA GLU 23 10.292 -5.958 -9.225 17 HB2 GLU 23 HB2 GLU 23 9.535 -8.246 -8.768 18 HB3 GLU 23 HB3 GLU 23 9.869 -8.021 -7.055 19 HG2 GLU 23 HG2 GLU 23 8.027 -6.732 -6.724 20 HG3 GLU 23 HG3 GLU 23 8.045 -6.106 -8.374 21 H GLN 24 HN GLN 24 10.173 -6.662 -5.784 22 HA GLN 24 HA GLN 24 10.398 -3.772 -5.341 23 HB2 GLN 24 HB2 GLN 24 8.265 -5.047 -4.726 24 HB3 GLN 24 HB3 GLN 24 9.203 -5.765 -3.425 25 HG2 GLN 24 HG2 GLN 24 9.614 -3.553 -2.486 26 HG3 GLN 24 HG3 GLN 24 8.728 -2.812 -3.818 27 HE21 GLN 24 HE21 GLN 24 8.237 -2.681 -0.962 28 HE22 GLN 24 HE22 GLN 24 6.623 -3.252 -0.744 29 H SER 25 HN SER 25 12.426 -6.188 -5.361 30 HA SER 25 HA SER 25 14.533 -6.452 -4.519 31 HG SER 25 HG SER 25 15.821 -5.641 -2.396 32 HB2 SER 25 HB2 SER 25 14.612 -3.977 -4.290 33 HB3 SER 25 HB3 SER 25 13.865 -4.110 -2.702 34 H ASP 26 HN ASP 26 11.786 -7.162 -3.126 35 HA ASP 26 HA ASP 26 12.997 -8.594 -0.885 36 HB2 ASP 26 HB2 ASP 26 12.014 -6.405 -0.086 37 HB3 ASP 26 HB3 ASP 26 10.440 -6.980 -0.614 38 H GLU 27 HN GLU 27 11.952 -9.147 -3.588 39 HA GLU 27 HA GLU 27 10.712 -10.628 -4.744 40 HB2 GLU 27 HB2 GLU 27 10.881 -11.874 -2.052 41 HB3 GLU 27 HB3 GLU 27 9.742 -12.568 -3.192 42 HG2 GLU 27 HG2 GLU 27 11.858 -13.730 -3.283 43 HG3 GLU 27 HG3 GLU 27 11.556 -12.890 -4.804 44 H ALA 28 HN ALA 28 8.873 -10.528 -1.682 45 HA ALA 28 HA ALA 28 6.449 -10.450 -3.320 46 HB1 ALA 28 HB3 ALA 28 5.285 -11.128 -1.287 47 HB2 ALA 28 HB1 ALA 28 6.648 -12.198 -1.620 48 HB3 ALA 28 HB2 ALA 28 6.785 -10.964 -0.369 49 H VAL 29 HN VAL 29 4.842 -8.942 -3.041 50 HA VAL 29 HA VAL 29 5.475 -6.292 -2.297 51 HB VAL 29 HB VAL 29 2.698 -7.506 -2.431 52 HG11 VAL 29 HG11 VAL 29 3.573 -4.655 -2.877 53 HG12 VAL 29 HG12 VAL 29 1.920 -5.267 -2.864 54 HG13 VAL 29 HG13 VAL 29 2.872 -5.271 -1.376 55 HG21 VAL 29 HG23 VAL 29 2.632 -6.732 -4.766 56 HG22 VAL 29 HG21 VAL 29 4.332 -6.282 -4.649 57 HG23 VAL 29 HG22 VAL 29 3.857 -7.975 -4.512 58 H LYS 30 HN LYS 30 5.884 -5.632 -0.288 59 HA LYS 30 HA LYS 30 5.532 -7.211 1.936 60 HB2 LYS 30 HB2 LYS 30 5.793 -4.208 1.836 61 HB3 LYS 30 HB3 LYS 30 5.940 -5.187 3.292 62 HG2 LYS 30 HG2 LYS 30 7.901 -6.299 2.407 63 HG3 LYS 30 HG3 LYS 30 7.722 -5.445 0.873 64 HD2 LYS 30 HD2 LYS 30 8.132 -3.332 1.940 65 HD3 LYS 30 HD3 LYS 30 8.177 -4.099 3.526 66 HE2 LYS 30 HE2 LYS 30 10.102 -4.648 1.270 67 HE3 LYS 30 HE3 LYS 30 10.426 -3.595 2.647 68 HZ1 LYS 30 HZ3 LYS 30 9.946 -6.532 2.717 69 HZ2 LYS 30 HZ1 LYS 30 10.116 -5.550 4.094 70 HZ3 LYS 30 HZ2 LYS 30 11.408 -5.730 3.019 71 H TYR 31 HN TYR 31 3.897 -7.713 3.186 72 HA TYR 31 HA TYR 31 1.412 -6.189 2.988 73 HD1 TYR 31 HD2 TYR 31 0.117 -7.670 1.335 74 HD2 TYR 31 HD1 TYR 31 2.602 -10.558 3.198 75 HE1 TYR 31 HE2 TYR 31 0.194 -8.940 -0.766 76 HE2 TYR 31 HE1 TYR 31 2.683 -11.856 1.105 77 HH TYR 31 HH TYR 31 1.218 -12.099 -0.970 78 HB2 TYR 31 HB2 TYR 31 1.791 -8.795 4.473 79 HB3 TYR 31 HB3 TYR 31 0.290 -8.045 3.947 80 H TYR 32 HN TYR 32 0.563 -5.117 4.672 81 HA TYR 32 HA TYR 32 2.013 -5.192 7.232 82 HD1 TYR 32 HD2 TYR 32 1.459 -2.911 3.986 83 HD2 TYR 32 HD1 TYR 32 3.396 -2.443 7.737 84 HE1 TYR 32 HE2 TYR 32 3.404 -1.915 2.848 85 HE2 TYR 32 HE1 TYR 32 5.353 -1.456 6.611 86 HH TYR 32 HH TYR 32 5.296 -0.435 3.390 87 HB2 TYR 32 HB2 TYR 32 0.206 -3.029 6.116 88 HB3 TYR 32 HB3 TYR 32 1.077 -2.967 7.647 89 H THR 33 HN THR 33 0.136 -4.217 8.933 90 HA THR 33 HA THR 33 -2.200 -5.980 8.479 91 HB THR 33 HB THR 33 -2.613 -5.804 10.917 92 HG1 THR 33 HG1 THR 33 -0.075 -4.520 10.973 93 HG21 THR 33 HG23 THR 33 -0.720 -7.233 11.636 94 HG22 THR 33 HG21 THR 33 0.117 -6.838 10.132 95 HG23 THR 33 HG22 THR 33 -1.406 -7.728 10.088 96 H LEU 34 HN LEU 34 -4.315 -5.098 8.706 97 HA LEU 34 HA LEU 34 -4.648 -2.343 8.196 98 HG LEU 34 HG LEU 34 -7.011 -1.681 7.889 99 HB2 LEU 34 HB2 LEU 34 -6.346 -4.181 7.783 100 HB3 LEU 34 HB3 LEU 34 -6.659 -4.200 9.506 101 HD11 LEU 34 HD11 LEU 34 -9.068 -3.840 8.352 102 HD12 LEU 34 HD12 LEU 34 -9.367 -2.263 7.623 103 HD13 LEU 34 HD13 LEU 34 -8.334 -3.434 6.801 104 HD21 LEU 34 HD23 LEU 34 -8.568 -1.101 9.661 105 HD22 LEU 34 HD21 LEU 34 -8.301 -2.665 10.429 106 HD23 LEU 34 HD22 LEU 34 -6.984 -1.495 10.331 107 H GLU 35 HN GLU 35 -4.549 -4.294 10.981 108 HA GLU 35 HA GLU 35 -5.373 -2.861 13.106 109 HB2 GLU 35 HB2 GLU 35 -4.564 -5.189 13.133 110 HB3 GLU 35 HB3 GLU 35 -2.914 -4.614 12.947 111 HG2 GLU 35 HG2 GLU 35 -3.029 -3.520 15.123 112 HG3 GLU 35 HG3 GLU 35 -4.705 -4.032 15.299 113 H GLU 36 HN GLU 36 -2.168 -2.677 11.622 114 HA GLU 36 HA GLU 36 -1.154 -0.899 13.621 115 HB2 GLU 36 HB2 GLU 36 0.922 -1.057 12.425 116 HB3 GLU 36 HB3 GLU 36 0.209 -2.659 12.525 117 HG2 GLU 36 HG2 GLU 36 -0.609 -2.446 10.222 118 HG3 GLU 36 HG3 GLU 36 0.123 -0.843 10.128 119 H ILE 37 HN ILE 37 -2.479 -0.678 10.467 120 HA ILE 37 HA ILE 37 -1.503 1.918 9.793 121 HB ILE 37 HB ILE 37 -3.833 0.369 8.648 122 HG12 ILE 37 HG12 ILE 37 -0.944 0.601 7.808 123 HG13 ILE 37 HG13 ILE 37 -1.728 -0.824 8.486 124 HG21 ILE 37 HG21 ILE 37 -3.978 2.766 8.126 125 HG22 ILE 37 HG22 ILE 37 -2.328 2.721 7.504 126 HG23 ILE 37 HG23 ILE 37 -3.603 1.815 6.682 127 HD11 ILE 37 HD13 ILE 37 -3.150 -0.991 6.539 128 HD12 ILE 37 HD11 ILE 37 -2.419 0.466 5.867 129 HD13 ILE 37 HD12 ILE 37 -1.447 -0.990 6.084 130 H GLN 38 HN GLN 38 -4.197 0.657 11.551 131 HA GLN 38 HA GLN 38 -5.760 2.994 11.777 132 HB2 GLN 38 HB2 GLN 38 -5.263 0.710 13.677 133 HB3 GLN 38 HB3 GLN 38 -6.438 1.982 13.975 134 HG2 GLN 38 HG2 GLN 38 -6.515 0.229 11.529 135 HG3 GLN 38 HG3 GLN 38 -7.329 -0.173 13.035 136 HE21 GLN 38 HE21 GLN 38 -7.054 3.070 11.662 137 HE22 GLN 38 HE22 GLN 38 -8.746 3.267 11.366 138 H LYS 39 HN LYS 39 -2.682 2.146 13.007 139 HA LYS 39 HA LYS 39 -2.694 4.206 15.096 140 HB2 LYS 39 HB2 LYS 39 -1.769 1.763 15.339 141 HB3 LYS 39 HB3 LYS 39 -0.390 2.385 14.446 142 HG2 LYS 39 HG2 LYS 39 0.199 2.549 16.701 143 HG3 LYS 39 HG3 LYS 39 -0.230 4.190 16.209 144 HD2 LYS 39 HD2 LYS 39 -1.228 3.829 18.328 145 HD3 LYS 39 HD3 LYS 39 -2.531 3.736 17.140 146 HE2 LYS 39 HE2 LYS 39 -2.173 1.242 17.147 147 HE3 LYS 39 HE3 LYS 39 -1.143 1.479 18.548 148 HZ1 LYS 39 HZ3 LYS 39 -3.410 0.901 19.186 149 HZ2 LYS 39 HZ1 LYS 39 -3.992 2.282 18.396 150 HZ3 LYS 39 HZ2 LYS 39 -2.983 2.446 19.747 151 H HIS 40 HN HIS 40 -1.893 3.701 11.882 152 HA HIS 40 HA HIS 40 0.205 5.752 11.843 153 HD1 HIS 40 HD1 HIS 40 0.656 1.523 10.103 154 HD2 HIS 40 HD2 HIS 40 2.553 4.653 12.063 155 HE1 HIS 40 HE1 HIS 40 2.635 0.485 11.237 156 HE2 HIS 40 HE2 HIS 40 3.909 2.445 12.176 157 HB2 HIS 40 HB2 HIS 40 -0.553 3.657 9.796 158 HB3 HIS 40 HB3 HIS 40 0.655 4.903 9.522 159 H ASN 41 HN ASN 41 -2.269 6.576 12.349 160 HA ASN 41 HA ASN 41 -3.472 7.537 9.827 161 HB2 ASN 41 HB2 ASN 41 -5.563 7.624 11.067 162 HB3 ASN 41 HB3 ASN 41 -4.845 6.033 11.283 163 HD21 ASN 41 HD21 ASN 41 -6.761 7.496 12.927 164 HD22 ASN 41 HD22 ASN 41 -6.072 7.546 14.514 165 H HIS 42 HN HIS 42 -1.253 8.785 11.579 166 HA HIS 42 HA HIS 42 -2.619 11.289 12.264 167 HD1 HIS 42 HD1 HIS 42 0.819 9.728 12.962 168 HD2 HIS 42 HD2 HIS 42 -1.395 8.440 16.250 169 HE1 HIS 42 HE1 HIS 42 2.231 7.991 14.088 170 HE2 HIS 42 HE2 HIS 42 0.969 7.411 16.192 171 HB2 HIS 42 HB2 HIS 42 -1.545 11.347 14.498 172 HB3 HIS 42 HB3 HIS 42 -2.686 10.023 14.332 173 H SER 43 HN SER 43 -0.888 12.924 13.180 174 HA SER 43 HA SER 43 0.588 13.929 11.220 175 HG SER 43 HG SER 43 0.038 15.731 14.125 176 HB2 SER 43 HB2 SER 43 1.802 13.937 13.962 177 HB3 SER 43 HB3 SER 43 1.641 15.269 12.818 178 H LYS 44 HN LYS 44 2.128 11.868 13.698 179 HA LYS 44 HA LYS 44 4.705 11.930 12.645 180 HB2 LYS 44 HB2 LYS 44 3.338 9.969 14.473 181 HB3 LYS 44 HB3 LYS 44 5.043 9.834 14.061 182 HG2 LYS 44 HG2 LYS 44 5.224 12.266 14.830 183 HG3 LYS 44 HG3 LYS 44 3.654 12.006 15.593 184 HD2 LYS 44 HD2 LYS 44 5.461 11.615 17.171 185 HD3 LYS 44 HD3 LYS 44 4.601 10.111 16.839 186 HE2 LYS 44 HE2 LYS 44 6.328 9.340 15.402 187 HE3 LYS 44 HE3 LYS 44 7.121 10.917 15.407 188 HZ1 LYS 44 HZ3 LYS 44 8.217 9.299 16.856 189 HZ2 LYS 44 HZ1 LYS 44 6.801 9.153 17.781 190 HZ3 LYS 44 HZ2 LYS 44 7.638 10.631 17.727 191 H SER 45 HN SER 45 2.070 10.048 11.537 192 HA SER 45 HA SER 45 3.618 8.917 9.414 193 HG SER 45 HG SER 45 4.812 7.956 11.361 194 HB2 SER 45 HB2 SER 45 2.229 6.940 11.245 195 HB3 SER 45 HB3 SER 45 3.236 6.593 9.846 196 H THR 46 HN THR 46 2.237 9.401 7.754 197 HA THR 46 HA THR 46 -0.638 9.121 8.319 198 HB THR 46 HB THR 46 0.682 10.920 6.274 199 HG1 THR 46 HG1 THR 46 0.877 11.404 8.675 200 HG21 THR 46 HG23 THR 46 -1.567 10.258 5.635 201 HG22 THR 46 HG21 THR 46 -1.541 11.954 6.116 202 HG23 THR 46 HG22 THR 46 -2.172 10.737 7.219 203 H TRP 47 HN TRP 47 -0.953 7.013 7.645 204 HA TRP 47 HA TRP 47 -0.343 6.490 4.815 205 HD1 TRP 47 HD1 TRP 47 1.788 6.506 5.793 206 HE1 TRP 47 HE1 TRP 47 4.018 5.390 6.415 207 HE3 TRP 47 HE3 TRP 47 0.051 1.872 7.073 208 HZ2 TRP 47 HZ2 TRP 47 4.921 2.871 7.319 209 HZ3 TRP 47 HZ3 TRP 47 1.655 0.162 7.804 210 HH2 TRP 47 HH2 TRP 47 4.056 0.653 7.915 211 HB2 TRP 47 HB2 TRP 47 -1.026 4.541 7.027 212 HB3 TRP 47 HB3 TRP 47 -0.836 4.098 5.338 213 H LEU 48 HN LEU 48 -1.991 5.356 3.566 214 HA LEU 48 HA LEU 48 -4.656 5.356 4.718 215 HG LEU 48 HG LEU 48 -3.657 5.970 1.236 216 HB2 LEU 48 HB2 LEU 48 -5.713 6.441 2.832 217 HB3 LEU 48 HB3 LEU 48 -4.571 7.517 3.615 218 HD11 LEU 48 HD11 LEU 48 -5.833 6.850 0.554 219 HD12 LEU 48 HD12 LEU 48 -5.341 8.459 1.094 220 HD13 LEU 48 HD13 LEU 48 -4.508 7.690 -0.254 221 HD21 LEU 48 HD23 LEU 48 -3.114 8.781 2.174 222 HD22 LEU 48 HD21 LEU 48 -2.090 7.383 2.506 223 HD23 LEU 48 HD22 LEU 48 -2.313 7.941 0.849 224 H ILE 49 HN ILE 49 -6.231 4.275 3.127 225 HA ILE 49 HA ILE 49 -4.820 2.235 1.558 226 HB ILE 49 HB ILE 49 -7.210 1.767 3.349 227 HG12 ILE 49 HG12 ILE 49 -4.384 0.681 3.544 228 HG13 ILE 49 HG13 ILE 49 -5.002 2.026 4.502 229 HG21 ILE 49 HG21 ILE 49 -5.695 -0.175 1.598 230 HG22 ILE 49 HG22 ILE 49 -6.989 -0.600 2.718 231 HG23 ILE 49 HG23 ILE 49 -7.331 0.408 1.311 232 HD11 ILE 49 HD13 ILE 49 -6.062 -0.799 4.554 233 HD12 ILE 49 HD11 ILE 49 -5.015 -0.054 5.763 234 HD13 ILE 49 HD12 ILE 49 -6.651 0.554 5.521 235 H LEU 50 HN LEU 50 -5.365 2.303 -0.462 236 HA LEU 50 HA LEU 50 -8.087 3.198 -1.173 237 HG LEU 50 HG LEU 50 -5.615 5.192 -1.324 238 HB2 LEU 50 HB2 LEU 50 -5.527 3.243 -2.784 239 HB3 LEU 50 HB3 LEU 50 -7.107 3.621 -3.442 240 HD11 LEU 50 HD11 LEU 50 -4.851 5.468 -3.654 241 HD12 LEU 50 HD12 LEU 50 -6.492 5.952 -4.094 242 HD13 LEU 50 HD13 LEU 50 -5.553 6.937 -2.972 243 HD21 LEU 50 HD23 LEU 50 -8.374 5.613 -2.443 244 HD22 LEU 50 HD21 LEU 50 -7.973 5.205 -0.778 245 HD23 LEU 50 HD22 LEU 50 -7.506 6.772 -1.440 246 H HIS 51 HN HIS 51 -9.201 1.327 -1.182 247 HA HIS 51 HA HIS 51 -10.017 -0.649 -1.933 248 HD1 HIS 51 HD1 HIS 51 -10.194 -1.645 -5.925 249 HD2 HIS 51 HD2 HIS 51 -10.132 1.880 -3.726 250 HE1 HIS 51 HE1 HIS 51 -11.866 -0.136 -7.043 251 HE2 HIS 51 HE2 HIS 51 -12.010 1.890 -5.534 252 HB2 HIS 51 HB2 HIS 51 -7.812 -0.378 -3.967 253 HB3 HIS 51 HB3 HIS 51 -8.805 -1.829 -3.878 254 H HIS 52 HN HIS 52 -6.580 -1.354 -2.524 255 HA HIS 52 HA HIS 52 -6.597 -3.035 -0.128 256 HD1 HIS 52 HD1 HIS 52 -7.785 -5.760 -3.566 257 HD2 HIS 52 HD2 HIS 52 -7.873 -4.879 0.495 258 HE1 HIS 52 HE1 HIS 52 -9.735 -7.030 -2.647 259 HE2 HIS 52 HE2 HIS 52 -9.644 -6.632 -0.155 260 HB2 HIS 52 HB2 HIS 52 -6.148 -3.958 -2.942 261 HB3 HIS 52 HB3 HIS 52 -5.316 -4.765 -1.619 262 H LYS 53 HN LYS 53 -4.987 -0.926 -2.241 263 HA LYS 53 HA LYS 53 -2.328 -1.690 -1.410 264 HB2 LYS 53 HB2 LYS 53 -3.173 0.742 -2.972 265 HB3 LYS 53 HB3 LYS 53 -1.536 0.149 -2.760 266 HG2 LYS 53 HG2 LYS 53 -3.701 -1.412 -4.142 267 HG3 LYS 53 HG3 LYS 53 -2.585 -0.335 -4.961 268 HD2 LYS 53 HD2 LYS 53 -0.703 -1.691 -4.044 269 HD3 LYS 53 HD3 LYS 53 -1.905 -2.847 -3.463 270 HE2 LYS 53 HE2 LYS 53 -2.732 -3.109 -5.775 271 HE3 LYS 53 HE3 LYS 53 -1.476 -2.011 -6.336 272 HZ1 LYS 53 HZ3 LYS 53 -0.924 -4.376 -6.631 273 HZ2 LYS 53 HZ1 LYS 53 -0.968 -4.584 -4.951 274 HZ3 LYS 53 HZ2 LYS 53 0.196 -3.567 -5.649 275 H VAL 54 HN VAL 54 -1.212 -0.806 0.250 276 HA VAL 54 HA VAL 54 -2.463 1.384 1.736 277 HB VAL 54 HB VAL 54 -1.670 -0.469 3.103 278 HG11 VAL 54 HG11 VAL 54 0.067 -1.305 1.612 279 HG12 VAL 54 HG12 VAL 54 1.069 0.091 1.997 280 HG13 VAL 54 HG13 VAL 54 0.663 -1.074 3.256 281 HG21 VAL 54 HG23 VAL 54 -1.529 1.784 4.047 282 HG22 VAL 54 HG21 VAL 54 -0.216 0.780 4.658 283 HG23 VAL 54 HG22 VAL 54 0.096 1.972 3.395 284 H TYR 55 HN TYR 55 -1.801 3.414 1.575 285 HA TYR 55 HA TYR 55 0.654 3.960 0.047 286 HD1 TYR 55 HD2 TYR 55 -2.862 3.464 -0.561 287 HD2 TYR 55 HD1 TYR 55 -0.219 6.012 -2.694 288 HE1 TYR 55 HE2 TYR 55 -3.737 2.596 -2.672 289 HE2 TYR 55 HE1 TYR 55 -1.110 5.152 -4.813 290 HH TYR 55 HH TYR 55 -3.944 3.333 -4.993 291 HB2 TYR 55 HB2 TYR 55 -1.803 5.671 0.406 292 HB3 TYR 55 HB3 TYR 55 -0.336 6.202 -0.402 293 H ASP 56 HN ASP 56 1.755 5.979 0.598 294 HA ASP 56 HA ASP 56 1.308 6.935 3.333 295 HB2 ASP 56 HB2 ASP 56 3.225 5.529 3.604 296 HB3 ASP 56 HB3 ASP 56 3.982 6.159 2.145 297 H LEU 57 HN LEU 57 1.993 9.164 3.637 298 HA LEU 57 HA LEU 57 2.402 10.535 1.060 299 HG LEU 57 HG LEU 57 -0.511 10.175 2.429 300 HB2 LEU 57 HB2 LEU 57 1.061 11.695 3.490 301 HB3 LEU 57 HB3 LEU 57 1.332 12.526 1.977 302 HD11 LEU 57 HD11 LEU 57 -2.245 11.808 1.806 303 HD12 LEU 57 HD12 LEU 57 -1.382 12.254 3.280 304 HD13 LEU 57 HD13 LEU 57 -1.009 13.068 1.761 305 HD21 LEU 57 HD23 LEU 57 -1.185 10.499 0.074 306 HD22 LEU 57 HD21 LEU 57 0.109 11.679 -0.120 307 HD23 LEU 57 HD22 LEU 57 0.499 9.992 0.213 308 H THR 58 HN THR 58 3.019 10.793 4.520 309 HA THR 58 HA THR 58 4.467 12.024 5.743 310 HB THR 58 HB THR 58 6.910 11.451 5.109 311 HG1 THR 58 HG1 THR 58 5.855 9.334 3.602 312 HG21 THR 58 HG23 THR 58 5.646 10.343 6.907 313 HG22 THR 58 HG21 THR 58 6.651 9.191 6.030 314 HG23 THR 58 HG22 THR 58 4.914 9.254 5.730 315 H LYS 59 HN LYS 59 6.471 12.305 2.854 316 HA LYS 59 HA LYS 59 7.068 15.020 3.352 317 HB2 LYS 59 HB2 LYS 59 8.101 14.982 1.097 318 HB3 LYS 59 HB3 LYS 59 8.571 13.595 2.069 319 HG2 LYS 59 HG2 LYS 59 7.123 12.155 0.859 320 HG3 LYS 59 HG3 LYS 59 6.372 13.509 0.020 321 HD2 LYS 59 HD2 LYS 59 7.897 12.489 -1.497 322 HD3 LYS 59 HD3 LYS 59 8.591 14.025 -0.989 323 HE2 LYS 59 HE2 LYS 59 10.381 12.534 -0.934 324 HE3 LYS 59 HE3 LYS 59 9.879 12.662 0.749 325 HZ1 LYS 59 HZ3 LYS 59 9.034 10.485 -1.085 326 HZ2 LYS 59 HZ1 LYS 59 8.733 10.589 0.577 327 HZ3 LYS 59 HZ2 LYS 59 10.311 10.369 0.018 328 H PHE 60 HN PHE 60 4.585 13.417 1.534 329 HA PHE 60 HA PHE 60 4.094 15.331 -0.421 330 HD1 PHE 60 HD1 PHE 60 3.765 14.713 -2.435 331 HD2 PHE 60 HD2 PHE 60 0.125 13.363 -0.701 332 HE1 PHE 60 HE1 PHE 60 2.602 15.178 -4.544 333 HE2 PHE 60 HE2 PHE 60 -1.054 13.837 -2.821 334 HZ PHE 60 HZ PHE 60 0.191 14.754 -4.740 335 HB2 PHE 60 HB2 PHE 60 3.406 12.870 -0.321 336 HB3 PHE 60 HB3 PHE 60 2.011 13.420 0.600 337 H LEU 61 HN LEU 61 3.199 15.287 2.841 338 HA LEU 61 HA LEU 61 0.633 16.314 2.930 339 HG LEU 61 HG LEU 61 2.533 14.354 4.653 340 HB2 LEU 61 HB2 LEU 61 2.897 16.786 4.874 341 HB3 LEU 61 HB3 LEU 61 1.204 17.018 5.229 342 HD11 LEU 61 HD11 LEU 61 1.375 15.469 7.201 343 HD12 LEU 61 HD12 LEU 61 2.124 13.887 6.986 344 HD13 LEU 61 HD13 LEU 61 3.098 15.353 6.839 345 HD21 LEU 61 HD23 LEU 61 0.230 14.392 3.848 346 HD22 LEU 61 HD21 LEU 61 0.359 13.408 5.303 347 HD23 LEU 61 HD22 LEU 61 -0.314 15.034 5.396 348 H GLU 62 HN GLU 62 3.565 17.830 2.160 349 HA GLU 62 HA GLU 62 2.801 20.522 2.916 350 HB2 GLU 62 HB2 GLU 62 5.235 19.601 1.372 351 HB3 GLU 62 HB3 GLU 62 5.027 21.112 2.249 352 HG2 GLU 62 HG2 GLU 62 4.995 18.441 3.625 353 HG3 GLU 62 HG3 GLU 62 6.484 19.335 3.310 354 H GLU 63 HN GLU 63 2.461 18.489 0.236 355 HA GLU 63 HA GLU 63 2.660 20.710 -1.705 356 HB2 GLU 63 HB2 GLU 63 3.088 17.756 -2.200 357 HB3 GLU 63 HB3 GLU 63 3.416 19.072 -3.319 358 HG2 GLU 63 HG2 GLU 63 5.166 19.920 -1.869 359 HG3 GLU 63 HG3 GLU 63 4.808 18.672 -0.677 360 H HIS 64 HN HIS 64 0.705 18.134 -0.487 361 HA HIS 64 HA HIS 64 -0.971 17.762 -2.696 362 HD1 HIS 64 HD1 HIS 64 -3.873 16.708 0.639 363 HD2 HIS 64 HD2 HIS 64 -2.538 15.132 -3.026 364 HE1 HIS 64 HE1 HIS 64 -5.795 15.314 -0.305 365 HB2 HIS 64 HB3 HIS 64 -0.673 16.126 -0.878 366 HB3 HIS 64 HB2 HIS 64 -1.467 17.190 0.236 367 HA PRO 65 HA PRO 65 -3.066 21.646 -2.799 368 HB2 PRO 65 HB2 PRO 65 -5.415 20.029 -3.669 369 HB3 PRO 65 HB3 PRO 65 -4.676 21.439 -4.429 370 HG2 PRO 65 HG2 PRO 65 -4.277 19.000 -5.408 371 HG3 PRO 65 HG3 PRO 65 -2.966 20.197 -5.398 372 HD2 PRO 65 HD2 PRO 65 -3.378 17.812 -3.671 373 HD3 PRO 65 HD3 PRO 65 -1.870 18.559 -4.238 374 H GLY 66 HN GLY 66 -4.990 18.946 -1.407 375 HA2 GLY 66 HA1 GLY 66 -6.790 20.895 -0.225 376 HA3 GLY 66 HA2 GLY 66 -7.015 19.155 -0.235 377 H GLY 67 HN GLY 67 -4.388 21.223 0.957 378 HA2 GLY 67 HA1 GLY 67 -3.489 21.523 3.035 379 HA3 GLY 67 HA2 GLY 67 -5.023 20.981 3.697 380 H GLU 68 HN GLU 68 -3.536 20.078 5.355 381 HA GLU 68 HA GLU 68 -2.728 17.364 4.550 382 HB2 GLU 68 HB2 GLU 68 -0.959 17.445 6.273 383 HB3 GLU 68 HB3 GLU 68 -0.719 18.590 4.970 384 HG2 GLU 68 HG2 GLU 68 -0.188 19.912 6.718 385 HG3 GLU 68 HG3 GLU 68 -1.921 20.220 6.682 386 H GLU 69 HN GLU 69 -4.037 19.408 7.058 387 HA GLU 69 HA GLU 69 -4.207 17.527 9.129 388 HB2 GLU 69 HB2 GLU 69 -5.676 19.128 10.233 389 HB3 GLU 69 HB3 GLU 69 -4.276 19.926 9.535 390 HG2 GLU 69 HG2 GLU 69 -5.613 20.686 7.666 391 HG3 GLU 69 HG3 GLU 69 -7.023 19.854 8.322 392 H VAL 70 HN VAL 70 -6.268 18.159 6.434 393 HA VAL 70 HA VAL 70 -8.532 16.781 7.602 394 HB VAL 70 HB VAL 70 -9.635 17.221 5.395 395 HG11 VAL 70 HG11 VAL 70 -9.890 19.604 5.786 396 HG12 VAL 70 HG12 VAL 70 -9.817 18.747 7.324 397 HG13 VAL 70 HG13 VAL 70 -8.406 19.632 6.740 398 HG21 VAL 70 HG23 VAL 70 -7.035 18.663 4.842 399 HG22 VAL 70 HG21 VAL 70 -7.694 17.284 3.955 400 HG23 VAL 70 HG22 VAL 70 -8.513 18.845 3.894 401 H LEU 71 HN LEU 71 -5.742 15.837 6.079 402 HA LEU 71 HA LEU 71 -6.715 13.623 4.567 403 HG LEU 71 HG LEU 71 -3.246 14.317 3.415 404 HB2 LEU 71 HB2 LEU 71 -4.060 14.451 5.665 405 HB3 LEU 71 HB3 LEU 71 -4.252 12.803 5.097 406 HD11 LEU 71 HD11 LEU 71 -4.505 12.326 2.726 407 HD12 LEU 71 HD12 LEU 71 -5.971 13.302 2.627 408 HD13 LEU 71 HD13 LEU 71 -4.617 13.630 1.542 409 HD21 LEU 71 HD23 LEU 71 -4.391 16.392 3.983 410 HD22 LEU 71 HD21 LEU 71 -4.657 15.986 2.286 411 HD23 LEU 71 HD22 LEU 71 -5.926 15.693 3.473 412 H ARG 72 HN ARG 72 -5.582 14.128 7.818 413 HA ARG 72 HA ARG 72 -5.106 11.523 8.617 414 HE ARG 72 HE ARG 72 -7.681 15.282 12.577 415 HB2 ARG 72 HB2 ARG 72 -4.912 12.378 10.784 416 HB3 ARG 72 HB3 ARG 72 -4.456 13.702 9.723 417 HG2 ARG 72 HG2 ARG 72 -6.682 14.669 9.960 418 HG3 ARG 72 HG3 ARG 72 -7.124 13.328 11.010 419 HD2 ARG 72 HD2 ARG 72 -5.483 14.015 12.646 420 HD3 ARG 72 HD3 ARG 72 -4.904 15.291 11.576 421 HH11 ARG 72 HH12 ARG 72 -4.541 16.813 12.269 422 HH12 ARG 72 HH11 ARG 72 -5.065 18.328 12.929 423 HH21 ARG 72 HH22 ARG 72 -8.408 17.268 13.387 424 HH22 ARG 72 HH21 ARG 72 -7.313 18.602 13.555 425 H GLU 73 HN GLU 73 -8.075 13.168 8.355 426 HA GLU 73 HA GLU 73 -9.680 11.692 10.144 427 HB2 GLU 73 HB2 GLU 73 -10.305 13.882 9.262 428 HB3 GLU 73 HB3 GLU 73 -10.377 13.226 7.632 429 HG2 GLU 73 HG2 GLU 73 -12.606 13.399 8.342 430 HG3 GLU 73 HG3 GLU 73 -12.207 11.688 8.502 431 H GLN 74 HN GLN 74 -8.697 11.224 6.823 432 HA GLN 74 HA GLN 74 -10.461 8.886 6.553 433 HB2 GLN 74 HB2 GLN 74 -8.990 10.522 4.464 434 HB3 GLN 74 HB3 GLN 74 -10.013 9.131 4.118 435 HG2 GLN 74 HG2 GLN 74 -10.929 11.691 5.416 436 HG3 GLN 74 HG3 GLN 74 -11.138 11.267 3.722 437 HE21 GLN 74 HE21 GLN 74 -12.622 9.675 3.174 438 HE22 GLN 74 HE22 GLN 74 -13.887 9.198 4.249 439 H ALA 75 HN ALA 75 -7.313 9.911 7.070 440 HA ALA 75 HA ALA 75 -5.890 7.730 5.868 441 HB1 ALA 75 HB3 ALA 75 -4.908 9.685 7.961 442 HB2 ALA 75 HB1 ALA 75 -3.935 8.692 6.868 443 HB3 ALA 75 HB2 ALA 75 -4.919 9.996 6.223 444 H GLY 76 HN GLY 76 -4.872 6.020 6.915 445 HA2 GLY 76 HA1 GLY 76 -4.419 4.710 8.873 446 HA3 GLY 76 HA2 GLY 76 -5.808 5.466 9.642 447 H GLY 77 HN GLY 77 -6.828 4.881 6.635 448 HA2 GLY 77 HA1 GLY 77 -7.094 2.097 6.446 449 HA3 GLY 77 HA2 GLY 77 -8.501 2.739 7.306 450 H ASP 78 HN ASP 78 -10.083 2.525 5.786 451 HA ASP 78 HA ASP 78 -9.712 3.021 3.039 452 HB2 ASP 78 HB2 ASP 78 -12.166 2.748 4.747 453 HB3 ASP 78 HB3 ASP 78 -12.304 3.278 3.075 454 H ALA 79 HN ALA 79 -9.276 4.840 2.128 455 HA ALA 79 HA ALA 79 -10.806 7.211 3.010 456 HB1 ALA 79 HB3 ALA 79 -8.023 7.140 1.799 457 HB2 ALA 79 HB1 ALA 79 -8.910 8.603 2.241 458 HB3 ALA 79 HB2 ALA 79 -8.398 7.467 3.492 459 H THR 80 HN THR 80 -10.836 4.904 0.871 460 HA THR 80 HA THR 80 -10.241 6.009 -1.628 461 HB THR 80 HB THR 80 -10.321 3.551 -1.012 462 HG1 THR 80 HG1 THR 80 -11.863 3.799 -3.321 463 HG21 THR 80 HG23 THR 80 -12.579 3.589 -0.006 464 HG22 THR 80 HG21 THR 80 -12.416 2.376 -1.270 465 HG23 THR 80 HG22 THR 80 -13.266 3.883 -1.604 466 H GLU 81 HN GLU 81 -12.891 6.618 0.333 467 HA GLU 81 HA GLU 81 -15.087 6.867 -1.293 468 HB2 GLU 81 HB2 GLU 81 -14.170 8.945 0.704 469 HB3 GLU 81 HB3 GLU 81 -15.820 8.678 0.153 470 HG2 GLU 81 HG2 GLU 81 -14.140 6.838 1.850 471 HG3 GLU 81 HG3 GLU 81 -15.574 7.739 2.335 472 H ASN 82 HN ASN 82 -12.610 9.367 -0.786 473 HA ASN 82 HA ASN 82 -13.753 11.236 -2.571 474 HB2 ASN 82 HB2 ASN 82 -11.875 12.597 -2.119 475 HB3 ASN 82 HB3 ASN 82 -12.153 11.686 -0.639 476 HD21 ASN 82 HD21 ASN 82 -10.067 12.269 -3.291 477 HD22 ASN 82 HD22 ASN 82 -8.753 11.293 -2.749 478 H PHE 83 HN PHE 83 -11.699 8.578 -2.999 479 HA PHE 83 HA PHE 83 -10.321 9.427 -5.358 480 HD1 PHE 83 HD1 PHE 83 -7.866 8.511 -5.783 481 HD2 PHE 83 HD2 PHE 83 -10.326 5.049 -5.658 482 HE1 PHE 83 HE1 PHE 83 -6.520 7.488 -7.571 483 HE2 PHE 83 HE2 PHE 83 -8.987 4.022 -7.443 484 HZ PHE 83 HZ PHE 83 -7.075 5.229 -8.390 485 HB2 PHE 83 HB2 PHE 83 -9.321 7.855 -3.745 486 HB3 PHE 83 HB3 PHE 83 -10.617 6.706 -4.055 487 H GLU 84 HN GLU 84 -13.303 7.850 -4.665 488 HA GLU 84 HA GLU 84 -13.571 6.969 -7.466 489 HB2 GLU 84 HB2 GLU 84 -14.721 5.726 -4.962 490 HB3 GLU 84 HB3 GLU 84 -15.000 5.152 -6.603 491 HG2 GLU 84 HG2 GLU 84 -12.603 4.721 -6.846 492 HG3 GLU 84 HG3 GLU 84 -12.339 5.265 -5.192 493 H ASP 85 HN ASP 85 -14.706 8.989 -5.090 494 HA ASP 85 HA ASP 85 -17.480 9.122 -5.854 495 HB2 ASP 85 HB2 ASP 85 -16.791 9.524 -3.534 496 HB3 ASP 85 HB3 ASP 85 -15.810 10.887 -4.052 497 H VAL 86 HN VAL 86 -15.364 11.922 -5.525 498 HA VAL 86 HA VAL 86 -15.821 12.691 -8.300 499 HB VAL 86 HB VAL 86 -16.799 14.377 -5.988 500 HG11 VAL 86 HG11 VAL 86 -17.315 16.105 -7.648 501 HG12 VAL 86 HG12 VAL 86 -15.584 15.782 -7.557 502 HG13 VAL 86 HG13 VAL 86 -16.531 15.132 -8.894 503 HG21 VAL 86 HG23 VAL 86 -18.242 13.321 -8.423 504 HG22 VAL 86 HG21 VAL 86 -18.379 12.672 -6.789 505 HG23 VAL 86 HG22 VAL 86 -18.947 14.304 -7.139 506 H GLY 87 HN GLY 87 -14.390 13.527 -5.156 507 HA2 GLY 87 HA1 GLY 87 -12.767 15.625 -6.264 508 HA3 GLY 87 HA2 GLY 87 -12.738 15.044 -4.609 509 H HIS 88 HN HIS 88 -12.027 13.600 -7.782 510 HA HIS 88 HA HIS 88 -9.220 13.709 -7.487 511 HD1 HIS 88 HD1 HIS 88 -7.925 9.760 -5.807 512 HD2 HIS 88 HD2 HIS 88 -8.224 13.899 -5.531 513 HE1 HIS 88 HE1 HIS 88 -6.121 10.492 -4.192 514 HB2 HIS 88 HB2 HIS 88 -10.494 11.339 -6.386 515 HB3 HIS 88 HB3 HIS 88 -9.392 10.933 -7.698 516 H SER 89 HN SER 89 -8.607 13.989 -9.564 517 HA SER 89 HA SER 89 -10.285 12.904 -11.660 518 HG SER 89 HG SER 89 -7.726 15.812 -11.346 519 HB2 SER 89 HB2 SER 89 -8.865 14.256 -13.196 520 HB3 SER 89 HB3 SER 89 -9.637 15.205 -11.927 521 H THR 90 HN THR 90 -8.596 12.374 -13.752 522 HA THR 90 HA THR 90 -7.671 9.792 -13.154 523 HB THR 90 HB THR 90 -6.797 11.448 -15.513 524 HG1 THR 90 HG1 THR 90 -8.890 10.058 -16.215 525 HG21 THR 90 HG23 THR 90 -5.747 9.219 -15.230 526 HG22 THR 90 HG21 THR 90 -6.749 9.309 -16.681 527 HG23 THR 90 HG22 THR 90 -7.352 8.490 -15.238 528 H ASP 91 HN ASP 91 -6.150 12.883 -13.045 529 HA ASP 91 HA ASP 91 -3.463 12.406 -13.226 530 HB2 ASP 91 HB2 ASP 91 -4.507 14.624 -12.887 531 HB3 ASP 91 HB3 ASP 91 -4.811 14.212 -11.206 532 H ALA 92 HN ALA 92 -5.366 12.252 -10.200 533 HA ALA 92 HA ALA 92 -3.075 11.276 -8.731 534 HB1 ALA 92 HB3 ALA 92 -5.917 11.556 -7.798 535 HB2 ALA 92 HB1 ALA 92 -4.481 11.381 -6.789 536 HB3 ALA 92 HB2 ALA 92 -4.715 12.848 -7.749 537 H ARG 93 HN ARG 93 -4.992 9.747 -10.808 538 HA ARG 93 HA ARG 93 -5.218 7.248 -9.264 539 HE ARG 93 HE ARG 93 -9.908 8.995 -10.139 540 HB2 ARG 93 HB2 ARG 93 -6.101 7.871 -12.092 541 HB3 ARG 93 HB3 ARG 93 -6.469 6.409 -11.190 542 HG2 ARG 93 HG2 ARG 93 -7.808 7.683 -9.618 543 HG3 ARG 93 HG3 ARG 93 -7.382 9.178 -10.455 544 HD2 ARG 93 HD2 ARG 93 -8.451 8.271 -12.502 545 HD3 ARG 93 HD3 ARG 93 -8.989 6.876 -11.562 546 HH11 ARG 93 HH12 ARG 93 -10.279 8.082 -13.516 547 HH12 ARG 93 HH11 ARG 93 -11.870 8.768 -13.643 548 HH21 ARG 93 HH22 ARG 93 -11.971 9.922 -10.347 549 HH22 ARG 93 HH21 ARG 93 -12.822 9.815 -11.857 550 H GLU 94 HN GLU 94 -3.107 8.939 -11.061 551 HA GLU 94 HA GLU 94 -1.680 6.623 -12.223 552 HB2 GLU 94 HB2 GLU 94 -2.679 8.192 -13.882 553 HB3 GLU 94 HB3 GLU 94 -1.753 9.500 -13.163 554 HG2 GLU 94 HG2 GLU 94 -0.540 8.913 -15.039 555 HG3 GLU 94 HG3 GLU 94 0.299 8.124 -13.706 556 H MET 95 HN MET 95 -1.499 9.767 -10.722 557 HA MET 95 HA MET 95 1.323 9.966 -10.634 558 HB2 MET 95 HB2 MET 95 -0.284 11.881 -10.665 559 HB3 MET 95 HB3 MET 95 -0.722 11.493 -9.011 560 HG2 MET 95 HG2 MET 95 0.866 13.331 -9.098 561 HG3 MET 95 HG3 MET 95 1.546 11.925 -8.277 562 HE1 MET 95 HE3 MET 95 2.574 12.913 -12.674 563 HE2 MET 95 HE1 MET 95 1.035 12.260 -12.116 564 HE3 MET 95 HE2 MET 95 1.482 13.914 -11.720 565 H SER 96 HN SER 96 -1.006 8.565 -8.500 566 HA SER 96 HA SER 96 0.342 9.062 -6.052 567 HG SER 96 HG SER 96 -2.527 6.254 -6.422 568 HB2 SER 96 HB2 SER 96 -1.308 7.457 -5.112 569 HB3 SER 96 HB3 SER 96 -2.055 8.731 -6.084 570 H LYS 97 HN LYS 97 1.145 6.991 -8.485 571 HA LYS 97 HA LYS 97 1.221 4.471 -7.209 572 HB2 LYS 97 HB2 LYS 97 2.561 5.591 -9.661 573 HB3 LYS 97 HB3 LYS 97 2.576 3.878 -9.234 574 HG2 LYS 97 HG2 LYS 97 0.102 3.891 -9.303 575 HG3 LYS 97 HG3 LYS 97 0.149 5.576 -9.808 576 HD2 LYS 97 HD2 LYS 97 1.311 4.998 -11.831 577 HD3 LYS 97 HD3 LYS 97 1.418 3.307 -11.319 578 HE2 LYS 97 HE2 LYS 97 -1.074 4.869 -12.015 579 HE3 LYS 97 HE3 LYS 97 -0.382 3.499 -12.887 580 HZ1 LYS 97 HZ3 LYS 97 -1.477 3.379 -10.140 581 HZ2 LYS 97 HZ1 LYS 97 -0.875 2.075 -11.037 582 HZ3 LYS 97 HZ2 LYS 97 -2.289 2.871 -11.532 583 H THR 98 HN THR 98 3.477 7.127 -7.231 584 HA THR 98 HA THR 98 5.773 5.536 -6.482 585 HB THR 98 HB THR 98 6.670 7.936 -5.948 586 HG1 THR 98 HG1 THR 98 5.339 9.523 -6.403 587 HG21 THR 98 HG23 THR 98 7.407 6.689 -7.906 588 HG22 THR 98 HG21 THR 98 7.101 8.369 -8.342 589 HG23 THR 98 HG22 THR 98 5.928 7.124 -8.763 590 H PHE 99 HN PHE 99 3.079 6.209 -4.862 591 HA PHE 99 HA PHE 99 4.411 6.636 -2.275 592 HD1 PHE 99 HD1 PHE 99 4.346 8.789 -1.054 593 HD2 PHE 99 HD2 PHE 99 1.859 9.283 -4.470 594 HE1 PHE 99 HE1 PHE 99 5.269 11.048 -1.393 595 HE2 PHE 99 HE2 PHE 99 2.774 11.531 -4.817 596 HZ PHE 99 HZ PHE 99 4.474 12.431 -3.283 597 HB2 PHE 99 HB2 PHE 99 1.643 7.387 -3.207 598 HB3 PHE 99 HB3 PHE 99 2.136 7.438 -1.515 599 H ILE 100 HN ILE 100 3.178 4.273 -4.119 600 HA ILE 100 HA ILE 100 1.565 2.893 -2.158 601 HB ILE 100 HB ILE 100 2.691 1.796 -4.752 602 HG12 ILE 100 HG12 ILE 100 -0.052 2.982 -4.191 603 HG13 ILE 100 HG13 ILE 100 1.210 3.727 -5.170 604 HG21 ILE 100 HG21 ILE 100 0.864 0.134 -4.487 605 HG22 ILE 100 HG22 ILE 100 2.087 0.037 -3.216 606 HG23 ILE 100 HG23 ILE 100 0.533 0.807 -2.895 607 HD11 ILE 100 HD13 ILE 100 1.061 1.929 -6.767 608 HD12 ILE 100 HD11 ILE 100 -0.141 1.111 -5.776 609 HD13 ILE 100 HD12 ILE 100 -0.523 2.663 -6.528 610 H ILE 101 HN ILE 101 2.619 2.111 -0.400 611 HA ILE 101 HA ILE 101 5.374 1.219 -0.639 612 HB ILE 101 HB ILE 101 5.289 0.923 1.814 613 HG12 ILE 101 HG12 ILE 101 2.553 2.203 1.555 614 HG13 ILE 101 HG13 ILE 101 2.844 0.518 1.982 615 HG21 ILE 101 HG21 ILE 101 6.085 2.967 0.766 616 HG22 ILE 101 HG22 ILE 101 4.447 3.620 0.759 617 HG23 ILE 101 HG23 ILE 101 5.268 3.310 2.286 618 HD11 ILE 101 HD13 ILE 101 4.061 1.266 3.988 619 HD12 ILE 101 HD11 ILE 101 3.697 2.938 3.561 620 HD13 ILE 101 HD12 ILE 101 2.393 1.827 3.960 621 H GLY 102 HN GLY 102 2.219 -0.245 -0.212 622 HA2 GLY 102 HA1 GLY 102 3.125 -2.717 -1.139 623 HA3 GLY 102 HA2 GLY 102 3.150 -2.786 0.616 624 H GLU 103 HN GLU 103 1.537 -4.338 0.709 625 HA GLU 103 HA GLU 103 -1.150 -3.270 0.163 626 HB2 GLU 103 HB2 GLU 103 -0.175 -6.091 -0.336 627 HB3 GLU 103 HB3 GLU 103 -1.874 -5.645 -0.341 628 HG2 GLU 103 HG2 GLU 103 -1.412 -4.073 -2.189 629 HG3 GLU 103 HG3 GLU 103 0.262 -4.625 -2.206 630 H LEU 104 HN LEU 104 -2.759 -4.924 1.359 631 HA LEU 104 HA LEU 104 -2.000 -4.755 4.148 632 HG LEU 104 HG LEU 104 -3.969 -3.124 2.605 633 HB2 LEU 104 HB2 LEU 104 -4.607 -5.498 2.841 634 HB3 LEU 104 HB3 LEU 104 -4.379 -5.346 4.576 635 HD11 LEU 104 HD11 LEU 104 -6.032 -2.176 3.515 636 HD12 LEU 104 HD12 LEU 104 -6.301 -3.694 2.658 637 HD13 LEU 104 HD13 LEU 104 -6.289 -3.668 4.421 638 HD21 LEU 104 HD23 LEU 104 -2.634 -2.904 4.605 639 HD22 LEU 104 HD21 LEU 104 -3.933 -1.709 4.583 640 HD23 LEU 104 HD22 LEU 104 -4.071 -3.146 5.600 641 H HIS 105 HN HIS 105 -2.591 -6.529 5.628 642 HA HIS 105 HA HIS 105 -1.203 -8.872 5.093 643 HD1 HIS 105 HD1 HIS 105 -3.820 -11.001 7.848 644 HD2 HIS 105 HD2 HIS 105 0.183 -10.021 7.314 645 HE1 HIS 105 HE1 HIS 105 -2.520 -12.971 8.733 646 HE2 HIS 105 HE2 HIS 105 -0.105 -12.402 8.293 647 HB2 HIS 105 HB2 HIS 105 -2.006 -7.967 7.349 648 HB3 HIS 105 HB3 HIS 105 -3.564 -8.708 6.994 649 HA PRO 106 HA PRO 106 -3.927 -11.721 2.764 650 HB2 PRO 106 HB2 PRO 106 -2.827 -13.582 4.847 651 HB3 PRO 106 HB3 PRO 106 -2.959 -13.816 3.101 652 HG2 PRO 106 HG2 PRO 106 -0.622 -13.234 4.155 653 HG3 PRO 106 HG3 PRO 106 -1.124 -12.435 2.654 654 HD2 PRO 106 HD2 PRO 106 -1.065 -11.376 5.454 655 HD3 PRO 106 HD3 PRO 106 -0.661 -10.556 3.929 656 H ASP 107 HN ASP 107 -5.257 -10.162 4.536 657 HA ASP 107 HA ASP 107 -7.183 -11.898 5.861 658 HB2 ASP 107 HB2 ASP 107 -5.518 -11.315 7.582 659 HB3 ASP 107 HB3 ASP 107 -5.699 -9.609 7.193 660 H ASP 108 HN ASP 108 -6.113 -8.636 4.994 661 HA ASP 108 HA ASP 108 -8.839 -7.788 4.394 662 HB2 ASP 108 HB2 ASP 108 -7.052 -6.205 5.415 663 HB3 ASP 108 HB3 ASP 108 -6.326 -6.222 3.817 664 H ARG 109 HN ARG 109 -5.790 -8.616 2.856 665 HA ARG 109 HA ARG 109 -6.122 -7.529 0.358 666 HE ARG 109 HE ARG 109 -3.192 -11.061 -0.909 667 HB2 ARG 109 HB2 ARG 109 -4.194 -9.061 1.550 668 HB3 ARG 109 HB3 ARG 109 -4.819 -10.156 0.319 669 HG2 ARG 109 HG2 ARG 109 -4.441 -8.417 -1.382 670 HG3 ARG 109 HG3 ARG 109 -3.736 -7.381 -0.144 671 HD2 ARG 109 HD2 ARG 109 -1.931 -8.407 -1.254 672 HD3 ARG 109 HD3 ARG 109 -2.089 -9.226 0.302 673 HH11 ARG 109 HH12 ARG 109 -1.276 -8.781 -2.772 674 HH12 ARG 109 HH11 ARG 109 -0.952 -9.926 -4.048 675 HH21 ARG 109 HH22 ARG 109 -2.785 -12.539 -2.573 676 HH22 ARG 109 HH21 ARG 109 -1.824 -12.071 -3.944 677 HA PRO 110 HA PRO 110 -8.507 -11.249 -1.277 678 HB2 PRO 110 HB2 PRO 110 -9.176 -13.348 0.276 679 HB3 PRO 110 HB3 PRO 110 -7.617 -13.253 -0.549 680 HG2 PRO 110 HG2 PRO 110 -8.285 -12.752 2.297 681 HG3 PRO 110 HG3 PRO 110 -6.844 -13.496 1.602 682 HD2 PRO 110 HD2 PRO 110 -7.007 -10.878 2.499 683 HD3 PRO 110 HD3 PRO 110 -5.790 -11.497 1.361 684 H LYS 111 HN LYS 111 -9.172 -10.671 2.120 685 HA LYS 111 HA LYS 111 -10.930 -9.926 3.293 686 HB2 LYS 111 HB2 LYS 111 -11.102 -8.563 0.863 687 HB3 LYS 111 HB3 LYS 111 -12.738 -9.129 1.188 688 HG2 LYS 111 HG2 LYS 111 -13.013 -7.757 2.951 689 HG3 LYS 111 HG3 LYS 111 -11.352 -7.964 3.505 690 HD2 LYS 111 HD2 LYS 111 -10.626 -6.472 1.635 691 HD3 LYS 111 HD3 LYS 111 -12.326 -6.156 1.297 692 HE2 LYS 111 HE2 LYS 111 -12.649 -5.041 3.336 693 HE3 LYS 111 HE3 LYS 111 -11.177 -5.720 4.037 694 HZ1 LYS 111 HZ3 LYS 111 -10.852 -3.418 3.465 695 HZ2 LYS 111 HZ1 LYS 111 -11.309 -3.701 1.862 696 HZ3 LYS 111 HZ2 LYS 111 -9.885 -4.388 2.476 697 H LEU 112 HN LEU 112 -12.141 -11.601 0.407 698 HA LEU 112 HA LEU 112 -13.529 -13.460 2.229 699 HG LEU 112 HG LEU 112 -15.495 -14.809 0.500 700 HB2 LEU 112 HB2 LEU 112 -15.060 -11.834 0.889 701 HB3 LEU 112 HB3 LEU 112 -14.556 -12.766 -0.508 702 HD11 LEU 112 HD11 LEU 112 -16.415 -12.944 2.684 703 HD12 LEU 112 HD12 LEU 112 -16.938 -14.617 2.486 704 HD13 LEU 112 HD13 LEU 112 -15.250 -14.255 2.837 705 HD21 LEU 112 HD23 LEU 112 -16.854 -13.483 -1.011 706 HD22 LEU 112 HD21 LEU 112 -17.848 -14.214 0.246 707 HD23 LEU 112 HD22 LEU 112 -17.431 -12.499 0.335 708 H ASN 113 HN ASN 113 -14.159 -15.473 0.585 709 HA ASN 113 HA ASN 113 -13.625 -17.009 -1.015 710 HB2 ASN 113 HB2 ASN 113 -12.290 -14.550 -2.095 711 HB3 ASN 113 HB3 ASN 113 -12.223 -16.081 -2.965 712 HD21 ASN 113 HD21 ASN 113 -14.794 -17.035 -2.392 713 HD22 ASN 113 HD22 ASN 113 -15.945 -16.010 -3.187 714 H LYS 114 HN LYS 114 -11.601 -16.231 1.276 715 HA LYS 114 HA LYS 114 -9.180 -17.416 0.129 716 HB2 LYS 114 HB2 LYS 114 -8.738 -15.342 1.243 717 HB3 LYS 114 HB3 LYS 114 -9.679 -15.820 2.657 718 HG2 LYS 114 HG2 LYS 114 -7.995 -17.630 3.055 719 HG3 LYS 114 HG3 LYS 114 -7.030 -16.931 1.750 720 HD2 LYS 114 HD2 LYS 114 -6.863 -14.828 2.974 721 HD3 LYS 114 HD3 LYS 114 -7.882 -15.493 4.260 722 HE2 LYS 114 HE2 LYS 114 -5.215 -16.607 3.400 723 HE3 LYS 114 HE3 LYS 114 -5.476 -15.576 4.806 724 HZ1 LYS 114 HZ3 LYS 114 -6.833 -17.253 5.812 725 HZ2 LYS 114 HZ1 LYS 114 -5.385 -17.996 5.322 726 HZ3 LYS 114 HZ2 LYS 114 -6.800 -18.205 4.413 727 HA PRO 115 HA PRO 115 -9.959 -21.338 2.205 728 HB2 PRO 115 HB2 PRO 115 -6.972 -21.363 2.121 729 HB3 PRO 115 HB3 PRO 115 -8.117 -22.622 1.632 730 HG2 PRO 115 HG2 PRO 115 -6.858 -21.175 -0.198 731 HG3 PRO 115 HG3 PRO 115 -8.568 -21.591 -0.414 732 HD2 PRO 115 HD2 PRO 115 -7.349 -18.987 0.426 733 HD3 PRO 115 HD3 PRO 115 -8.762 -19.288 -0.602 734 HA PRO 116 HA PRO 116 -9.381 -19.450 6.197 735 HB2 PRO 116 HB2 PRO 116 -10.428 -21.968 7.288 736 HB3 PRO 116 HB3 PRO 116 -11.089 -20.335 7.386 737 HG2 PRO 116 HG2 PRO 116 -12.233 -22.221 5.844 738 HG3 PRO 116 HG3 PRO 116 -12.184 -20.515 5.365 739 HD2 PRO 116 HD2 PRO 116 -10.445 -22.783 4.443 740 HD3 PRO 116 HD3 PRO 116 -11.197 -21.484 3.490 741 H GLU 117 HN GLU 117 -8.351 -19.882 8.294 742 HA GLU 117 HA GLU 117 -5.829 -21.182 8.023 743 HB2 GLU 117 HB2 GLU 117 -6.141 -19.223 9.468 744 HB3 GLU 117 HB3 GLU 117 -7.258 -20.134 10.473 745 HG2 GLU 117 HG2 GLU 117 -5.378 -21.694 11.010 746 HG3 GLU 117 HG3 GLU 117 -4.301 -20.600 10.141 747 H THR 118 HN THR 118 -8.851 -21.904 9.663 748 HA THR 118 HA THR 118 -7.896 -24.009 11.270 749 HB THR 118 HB THR 118 -10.483 -24.453 11.407 750 HG1 THR 118 HG1 THR 118 -11.647 -22.545 10.825 751 HG21 THR 118 HG23 THR 118 -10.666 -22.680 13.075 752 HG22 THR 118 HG21 THR 118 -9.253 -21.871 12.394 753 HG23 THR 118 HG22 THR 118 -9.078 -23.443 13.179 754 H LEU 119 HN LEU 119 -8.799 -26.186 11.273 755 HA LEU 119 HA LEU 119 -7.812 -27.500 8.986 756 HG LEU 119 HG LEU 119 -8.329 -30.277 9.401 757 HB2 LEU 119 HB2 LEU 119 -7.841 -28.168 11.499 758 HB3 LEU 119 HB3 LEU 119 -9.412 -28.850 11.142 759 HD11 LEU 119 HD11 LEU 119 -6.368 -28.820 9.023 760 HD12 LEU 119 HD12 LEU 119 -5.769 -29.236 10.625 761 HD13 LEU 119 HD13 LEU 119 -5.904 -30.482 9.384 762 HD21 LEU 119 HD23 LEU 119 -7.202 -31.779 11.017 763 HD22 LEU 119 HD21 LEU 119 -7.322 -30.501 12.230 764 HD23 LEU 119 HD22 LEU 119 -8.789 -31.223 11.563 765 H ILE 120 HN ILE 120 -9.032 -27.202 7.168 766 HA ILE 120 HA ILE 120 -10.699 -27.562 5.645 767 HB ILE 120 HB ILE 120 -11.508 -29.873 7.424 768 HG12 ILE 120 HG12 ILE 120 -9.126 -30.060 7.005 769 HG13 ILE 120 HG13 ILE 120 -9.977 -31.246 6.022 770 HG21 ILE 120 HG21 ILE 120 -13.130 -29.462 5.711 771 HG22 ILE 120 HG22 ILE 120 -11.881 -29.386 4.473 772 HG23 ILE 120 HG23 ILE 120 -12.220 -30.910 5.292 773 HD11 ILE 120 HD13 ILE 120 -8.929 -28.594 5.047 774 HD12 ILE 120 HD11 ILE 120 -8.166 -30.162 4.799 775 HD13 ILE 120 HD12 ILE 120 -9.733 -29.821 4.069 776 H THR 121 HN THR 121 -11.683 -25.593 6.278 777 HA THR 121 HA THR 121 -13.347 -24.205 6.891 778 HB THR 121 HB THR 121 -15.613 -24.909 6.739 779 HG1 THR 121 HG1 THR 121 -14.575 -27.442 7.442 780 HG21 THR 121 HG23 THR 121 -13.929 -26.628 4.922 781 HG22 THR 121 HG21 THR 121 -14.501 -24.995 4.583 782 HG23 THR 121 HG22 THR 121 -15.650 -26.336 4.693 783 H THR 122 HN THR 122 -15.559 -24.675 8.672 784 HA THR 122 HA THR 122 -14.336 -25.549 11.166 785 HB THR 122 HB THR 122 -15.520 -22.775 10.857 786 HG1 THR 122 HG1 THR 122 -12.992 -23.754 10.403 787 HG21 THR 122 HG23 THR 122 -15.763 -23.721 13.116 788 HG22 THR 122 HG21 THR 122 -14.609 -22.383 13.107 789 HG23 THR 122 HG22 THR 122 -14.030 -24.050 13.161 790 H ILE 123 HN ILE 123 -16.910 -25.295 9.110 791 HA ILE 123 HA ILE 123 -18.700 -26.765 10.720 792 HB ILE 123 HB ILE 123 -18.922 -24.456 11.739 793 HG12 ILE 123 HG12 ILE 123 -21.406 -25.542 10.390 794 HG13 ILE 123 HG13 ILE 123 -20.713 -26.136 11.895 795 HG21 ILE 123 HG21 ILE 123 -20.033 -23.777 9.018 796 HG22 ILE 123 HG22 ILE 123 -20.248 -22.782 10.463 797 HG23 ILE 123 HG23 ILE 123 -18.632 -23.068 9.820 798 HD11 ILE 123 HD13 ILE 123 -21.162 -23.995 12.963 799 HD12 ILE 123 HD11 ILE 123 -21.811 -23.374 11.445 800 HD13 ILE 123 HD12 ILE 123 -22.633 -24.690 12.281 801 H ASP 124 HN ASP 124 -17.415 -26.803 8.159 802 HA ASP 124 HA ASP 124 -17.662 -26.968 5.941 803 HB2 ASP 124 HB2 ASP 124 -20.361 -27.724 6.925 804 HB3 ASP 124 HB3 ASP 124 -20.180 -27.409 5.197 805 H SER 125 HN SER 125 -20.816 -25.396 6.502 806 HA SER 125 HA SER 125 -19.989 -22.811 5.759 807 HG SER 125 HG SER 125 -20.045 -22.070 2.867 808 HB2 SER 125 HB2 SER 125 -19.703 -24.014 3.534 809 HB3 SER 125 HB3 SER 125 -21.440 -24.294 3.537 810 H SER 126 HN SER 126 -22.192 -21.662 4.752 811 HA SER 126 HA SER 126 -24.110 -21.867 6.820 812 HG SER 126 HG SER 126 -25.693 -19.640 6.435 813 HB2 SER 126 HB2 SER 126 -23.692 -19.750 5.643 814 HB3 SER 126 HB3 SER 126 -24.286 -20.458 4.141 815 H SER 127 HN SER 127 -24.838 -22.126 3.373 816 HA SER 127 HA SER 127 -25.871 -24.762 3.472 817 HG SER 127 HG SER 127 -27.081 -23.968 5.426 818 HB2 SER 127 HB2 SER 127 -27.855 -22.491 3.560 819 HB3 SER 127 HB3 SER 127 -28.267 -24.071 2.894 820 H SER 128 HN SER 128 -25.225 -21.790 1.903 821 HA SER 128 HA SER 128 -24.735 -21.226 -0.218 822 HG SER 128 HG SER 128 -24.722 -22.218 -2.582 823 HB2 SER 128 HB2 SER 128 -23.764 -23.598 -0.322 824 HB3 SER 128 HB3 SER 128 -25.282 -24.077 -1.070 825 HHA HEM 129 HHA HEM 129 -6.277 17.202 -6.007 826 HHB HEM 129 HHB HEM 129 -1.799 12.590 -5.493 827 HHC HEM 129 HHC HEM 129 -5.114 9.986 -0.686 828 HHD HEM 129 HHD HEM 129 -9.185 15.014 -0.677 829 HAB HEM 129 HAB HEM 129 -2.244 9.130 -0.732 830 HAC HEM 129 HAC HEM 129 -9.884 13.521 1.070 831 HMA1 HEM 129 HMA1 HEM 129 -1.873 15.365 -8.247 832 HMA2 HEM 129 HMA2 HEM 129 -0.975 15.037 -6.762 833 HMA3 HEM 129 HMA3 HEM 129 -1.653 13.702 -7.707 834 HAA1 HEM 129 HAA1 HEM 129 -3.957 17.546 -7.875 835 HAA2 HEM 129 HAA2 HEM 129 -3.532 16.222 -8.426 836 HBA1 HEM 129 HBA1 HEM 129 -4.541 15.470 -9.759 837 HBA2 HEM 129 HBA2 HEM 129 -5.482 16.983 -9.766 838 HMB1 HEM 129 HMB1 HEM 129 -0.040 10.917 -3.321 839 HMB2 HEM 129 HMB2 HEM 129 -0.863 9.990 -4.741 840 HMB3 HEM 129 HMB3 HEM 129 -0.927 9.719 -3.237 841 HBB1 HEM 129 HBB1 HEM 129 -3.528 7.891 -3.212 842 HBB2 HEM 129 HBB2 HEM 129 -2.793 7.006 -1.735 843 HMC1 HEM 129 HMC1 HEM 129 -6.074 10.344 1.674 844 HMC2 HEM 129 HMC2 HEM 129 -7.775 10.655 2.042 845 HMC3 HEM 129 HMC3 HEM 129 -7.297 9.574 0.689 846 HBC1 HEM 129 HBC1 HEM 129 -9.515 13.277 3.393 847 HBC2 HEM 129 HBC2 HEM 129 -7.800 12.628 3.120 848 HMD1 HEM 129 HMD1 HEM 129 -10.223 16.808 -1.151 849 HMD2 HEM 129 HMD2 HEM 129 -10.452 18.061 -2.524 850 HMD3 HEM 129 HMD3 HEM 129 -9.253 17.870 -1.626 851 HAD1 HEM 129 HAD1 HEM 129 -9.312 18.041 -5.625 852 HAD2 HEM 129 HAD2 HEM 129 -9.383 18.429 -4.170 853 HBD1 HEM 129 HBD1 HEM 129 -8.210 20.232 -5.595 854 HBD2 HEM 129 HBD2 HEM 129 -7.047 19.691 -4.371 Start of MODEL 12 1 HA MET 21 HA MET 21 8.496 -24.113 -11.051 2 H1 MET 21 1H MET 21 9.745 -22.705 -13.328 3 HB2 MET 21 HB2 MET 21 11.351 -24.416 -12.031 4 HB3 MET 21 HB3 MET 21 10.790 -24.956 -10.456 5 HG2 MET 21 HG2 MET 21 9.779 -25.952 -13.118 6 HG3 MET 21 HG3 MET 21 10.898 -26.796 -12.038 7 HE1 MET 21 HE3 MET 21 8.243 -28.172 -13.121 8 HE2 MET 21 HE1 MET 21 9.343 -28.977 -11.995 9 HE3 MET 21 HE2 MET 21 7.615 -28.911 -11.648 10 H ALA 22 HN ALA 22 8.145 -22.539 -9.612 11 HA ALA 22 HA ALA 22 8.525 -20.908 -8.091 12 HB1 ALA 22 HB3 ALA 22 10.759 -20.310 -7.410 13 HB2 ALA 22 HB1 ALA 22 10.664 -22.053 -7.647 14 HB3 ALA 22 HB2 ALA 22 11.435 -21.042 -8.866 15 H GLU 23 HN GLU 23 7.771 -18.961 -8.435 16 HA GLU 23 HA GLU 23 8.109 -17.657 -10.925 17 HB2 GLU 23 HB2 GLU 23 6.131 -17.477 -9.261 18 HB3 GLU 23 HB3 GLU 23 7.122 -16.276 -8.437 19 HG2 GLU 23 HG2 GLU 23 7.143 -14.875 -10.406 20 HG3 GLU 23 HG3 GLU 23 6.310 -16.124 -11.334 21 H GLN 24 HN GLN 24 9.029 -15.563 -11.269 22 HA GLN 24 HA GLN 24 11.756 -15.685 -10.727 23 HB2 GLN 24 HB2 GLN 24 10.169 -13.323 -11.708 24 HB3 GLN 24 HB3 GLN 24 11.910 -13.543 -11.882 25 HG2 GLN 24 HG2 GLN 24 9.752 -15.237 -13.131 26 HG3 GLN 24 HG3 GLN 24 10.758 -14.058 -13.952 27 HE21 GLN 24 HE21 GLN 24 10.663 -17.202 -12.458 28 HE22 GLN 24 HE22 GLN 24 12.141 -17.790 -13.140 29 H SER 25 HN SER 25 9.373 -13.351 -9.443 30 HA SER 25 HA SER 25 11.441 -12.208 -7.722 31 HG SER 25 HG SER 25 9.446 -9.253 -7.451 32 HB2 SER 25 HB2 SER 25 9.986 -10.736 -9.172 33 HB3 SER 25 HB3 SER 25 8.607 -11.234 -8.194 34 H ASP 26 HN ASP 26 9.914 -11.217 -5.691 35 HA ASP 26 HA ASP 26 9.605 -13.459 -3.975 36 HB2 ASP 26 HB2 ASP 26 9.309 -10.499 -3.689 37 HB3 ASP 26 HB3 ASP 26 8.587 -11.541 -2.470 38 H GLU 27 HN GLU 27 7.965 -14.171 -5.796 39 HA GLU 27 HA GLU 27 5.915 -14.871 -6.324 40 HB2 GLU 27 HB2 GLU 27 5.365 -14.253 -3.413 41 HB3 GLU 27 HB3 GLU 27 4.285 -15.161 -4.456 42 HG2 GLU 27 HG2 GLU 27 6.125 -16.815 -4.790 43 HG3 GLU 27 HG3 GLU 27 7.054 -15.940 -3.573 44 H ALA 28 HN ALA 28 4.499 -12.602 -4.024 45 HA ALA 28 HA ALA 28 3.516 -11.043 -6.318 46 HB1 ALA 28 HB3 ALA 28 1.826 -12.689 -5.728 47 HB2 ALA 28 HB1 ALA 28 1.799 -12.087 -4.072 48 HB3 ALA 28 HB2 ALA 28 1.268 -11.052 -5.399 49 H VAL 29 HN VAL 29 1.850 -9.339 -5.118 50 HA VAL 29 HA VAL 29 3.428 -7.240 -4.188 51 HB VAL 29 HB VAL 29 0.481 -7.701 -3.666 52 HG11 VAL 29 HG11 VAL 29 2.053 -5.116 -3.697 53 HG12 VAL 29 HG12 VAL 29 0.305 -5.254 -3.503 54 HG13 VAL 29 HG13 VAL 29 1.385 -5.900 -2.264 55 HG21 VAL 29 HG23 VAL 29 0.073 -6.450 -5.667 56 HG22 VAL 29 HG21 VAL 29 1.806 -6.248 -5.928 57 HG23 VAL 29 HG22 VAL 29 1.077 -7.851 -6.035 58 H LYS 30 HN LYS 30 3.808 -6.361 -2.121 59 HA LYS 30 HA LYS 30 3.607 -8.334 0.017 60 HB2 LYS 30 HB2 LYS 30 5.178 -5.760 -0.203 61 HB3 LYS 30 HB3 LYS 30 5.107 -6.739 1.258 62 HG2 LYS 30 HG2 LYS 30 6.132 -7.621 -1.418 63 HG3 LYS 30 HG3 LYS 30 7.100 -7.291 0.018 64 HD2 LYS 30 HD2 LYS 30 6.145 -9.151 1.182 65 HD3 LYS 30 HD3 LYS 30 4.938 -9.383 -0.090 66 HE2 LYS 30 HE2 LYS 30 7.915 -9.737 -0.381 67 HE3 LYS 30 HE3 LYS 30 6.719 -11.037 -0.227 68 HZ1 LYS 30 HZ3 LYS 30 7.175 -10.812 -2.512 69 HZ2 LYS 30 HZ1 LYS 30 7.056 -9.129 -2.458 70 HZ3 LYS 30 HZ2 LYS 30 5.673 -10.073 -2.288 71 H TYR 31 HN TYR 31 2.867 -7.703 2.134 72 HA TYR 31 HA TYR 31 0.680 -5.733 1.890 73 HD1 TYR 31 HD2 TYR 31 -0.805 -6.476 0.395 74 HD2 TYR 31 HD1 TYR 31 0.128 -10.277 2.033 75 HE1 TYR 31 HE2 TYR 31 -1.457 -7.546 -1.730 76 HE2 TYR 31 HE1 TYR 31 -0.518 -11.363 -0.083 77 HH TYR 31 HH TYR 31 -1.003 -9.610 -2.953 78 HB2 TYR 31 HB2 TYR 31 0.531 -8.405 3.299 79 HB3 TYR 31 HB3 TYR 31 -0.770 -7.235 3.121 80 H TYR 32 HN TYR 32 -0.070 -4.838 3.870 81 HA TYR 32 HA TYR 32 1.726 -5.187 6.184 82 HD1 TYR 32 HD2 TYR 32 1.647 -2.829 3.105 83 HD2 TYR 32 HD1 TYR 32 3.668 -2.757 6.854 84 HE1 TYR 32 HE2 TYR 32 3.758 -2.204 1.967 85 HE2 TYR 32 HE1 TYR 32 5.765 -2.152 5.741 86 HH TYR 32 HH TYR 32 6.804 -2.218 3.641 87 HB2 TYR 32 HB2 TYR 32 0.400 -2.623 5.236 88 HB3 TYR 32 HB3 TYR 32 1.267 -2.815 6.762 89 H THR 33 HN THR 33 0.665 -4.887 8.300 90 HA THR 33 HA THR 33 -1.903 -6.194 8.201 91 HB THR 33 HB THR 33 -1.782 -6.110 10.700 92 HG1 THR 33 HG1 THR 33 0.771 -4.903 10.192 93 HG21 THR 33 HG23 THR 33 0.648 -7.194 9.254 94 HG22 THR 33 HG21 THR 33 -0.893 -8.021 9.480 95 HG23 THR 33 HG22 THR 33 0.128 -7.672 10.867 96 H LEU 34 HN LEU 34 -3.838 -5.433 9.341 97 HA LEU 34 HA LEU 34 -4.560 -2.779 8.731 98 HG LEU 34 HG LEU 34 -6.625 -2.431 11.073 99 HB2 LEU 34 HB2 LEU 34 -6.136 -4.652 9.093 100 HB3 LEU 34 HB3 LEU 34 -5.686 -4.689 10.784 101 HD11 LEU 34 HD11 LEU 34 -7.921 -1.396 9.332 102 HD12 LEU 34 HD12 LEU 34 -6.261 -1.637 8.791 103 HD13 LEU 34 HD13 LEU 34 -7.539 -2.709 8.221 104 HD21 LEU 34 HD23 LEU 34 -8.019 -4.390 11.502 105 HD22 LEU 34 HD21 LEU 34 -8.983 -3.068 10.863 106 HD23 LEU 34 HD22 LEU 34 -8.529 -4.413 9.818 107 H GLU 35 HN GLU 35 -3.244 -4.395 11.423 108 HA GLU 35 HA GLU 35 -3.714 -2.713 13.584 109 HB2 GLU 35 HB2 GLU 35 -2.965 -5.057 13.758 110 HB3 GLU 35 HB3 GLU 35 -1.389 -4.603 13.120 111 HG2 GLU 35 HG2 GLU 35 -1.486 -2.910 15.168 112 HG3 GLU 35 HG3 GLU 35 -2.562 -4.145 15.798 113 H GLU 36 HN GLU 36 -0.898 -2.935 11.459 114 HA GLU 36 HA GLU 36 0.641 -1.113 13.017 115 HB2 GLU 36 HB2 GLU 36 2.415 -1.555 11.449 116 HB3 GLU 36 HB3 GLU 36 1.591 -3.062 11.810 117 HG2 GLU 36 HG2 GLU 36 0.342 -2.830 9.671 118 HG3 GLU 36 HG3 GLU 36 1.331 -1.420 9.308 119 H ILE 37 HN ILE 37 -1.379 -0.883 10.243 120 HA ILE 37 HA ILE 37 -0.453 1.678 9.333 121 HB ILE 37 HB ILE 37 -3.039 0.182 8.805 122 HG12 ILE 37 HG12 ILE 37 -0.568 0.476 7.082 123 HG13 ILE 37 HG13 ILE 37 -0.974 -0.954 8.024 124 HG21 ILE 37 HG21 ILE 37 -3.454 2.491 8.379 125 HG22 ILE 37 HG22 ILE 37 -1.938 2.653 7.486 126 HG23 ILE 37 HG23 ILE 37 -3.253 1.673 6.831 127 HD11 ILE 37 HD13 ILE 37 -2.986 -1.275 6.704 128 HD12 ILE 37 HD11 ILE 37 -2.611 0.181 5.780 129 HD13 ILE 37 HD12 ILE 37 -1.550 -1.227 5.672 130 H GLN 38 HN GLN 38 -2.816 0.501 11.598 131 HA GLN 38 HA GLN 38 -4.129 2.983 12.082 132 HB2 GLN 38 HB2 GLN 38 -4.060 0.276 13.293 133 HB3 GLN 38 HB3 GLN 38 -4.685 1.595 14.275 134 HG2 GLN 38 HG2 GLN 38 -5.684 0.972 11.499 135 HG3 GLN 38 HG3 GLN 38 -6.376 0.280 12.967 136 HE21 GLN 38 HE21 GLN 38 -5.761 3.304 11.252 137 HE22 GLN 38 HE22 GLN 38 -7.035 4.193 12.007 138 H LYS 39 HN LYS 39 -1.358 1.367 13.401 139 HA LYS 39 HA LYS 39 -1.074 2.974 15.743 140 HB2 LYS 39 HB2 LYS 39 0.874 1.178 14.291 141 HB3 LYS 39 HB3 LYS 39 1.153 1.874 15.876 142 HG2 LYS 39 HG2 LYS 39 -0.677 0.626 16.803 143 HG3 LYS 39 HG3 LYS 39 -1.075 -0.014 15.211 144 HD2 LYS 39 HD2 LYS 39 0.704 -1.422 15.154 145 HD3 LYS 39 HD3 LYS 39 1.685 -0.385 16.200 146 HE2 LYS 39 HE2 LYS 39 0.307 -1.021 18.091 147 HE3 LYS 39 HE3 LYS 39 -0.671 -2.062 17.055 148 HZ1 LYS 39 HZ3 LYS 39 2.235 -2.401 17.495 149 HZ2 LYS 39 HZ1 LYS 39 1.201 -3.455 16.657 150 HZ3 LYS 39 HZ2 LYS 39 1.040 -3.250 18.336 151 H HIS 40 HN HIS 40 -0.290 3.299 12.448 152 HA HIS 40 HA HIS 40 1.855 5.188 12.959 153 HD1 HIS 40 HD1 HIS 40 2.621 1.999 9.798 154 HD2 HIS 40 HD2 HIS 40 3.943 4.423 12.884 155 HE1 HIS 40 HE1 HIS 40 4.781 0.963 10.569 156 HE2 HIS 40 HE2 HIS 40 5.684 2.581 12.294 157 HB2 HIS 40 HB2 HIS 40 0.932 3.749 10.491 158 HB3 HIS 40 HB3 HIS 40 1.959 5.175 10.347 159 H ASN 41 HN ASN 41 -1.396 5.043 12.237 160 HA ASN 41 HA ASN 41 -1.526 7.764 11.188 161 HB2 ASN 41 HB2 ASN 41 -3.410 5.489 11.329 162 HB3 ASN 41 HB3 ASN 41 -4.074 7.114 11.241 163 HD21 ASN 41 HD21 ASN 41 -2.636 4.566 9.506 164 HD22 ASN 41 HD22 ASN 41 -2.558 5.385 7.976 165 H HIS 42 HN HIS 42 -0.765 8.726 13.162 166 HA HIS 42 HA HIS 42 -2.706 8.826 15.297 167 HD1 HIS 42 HD1 HIS 42 0.845 7.935 13.865 168 HD2 HIS 42 HD2 HIS 42 1.096 6.654 17.793 169 HE1 HIS 42 HE1 HIS 42 3.277 7.492 14.262 170 HE2 HIS 42 HE2 HIS 42 3.369 6.496 16.569 171 HB2 HIS 42 HB2 HIS 42 -1.272 7.858 16.997 172 HB3 HIS 42 HB3 HIS 42 -1.525 6.703 15.706 173 H SER 43 HN SER 43 0.222 9.972 13.811 174 HA SER 43 HA SER 43 0.256 12.530 14.707 175 HG SER 43 HG SER 43 1.228 10.141 17.662 176 HB2 SER 43 HB2 SER 43 2.098 12.328 16.519 177 HB3 SER 43 HB3 SER 43 0.445 11.980 17.003 178 H LYS 44 HN LYS 44 2.793 10.150 15.156 179 HA LYS 44 HA LYS 44 4.834 11.597 13.868 180 HB2 LYS 44 HB2 LYS 44 4.609 8.724 14.734 181 HB3 LYS 44 HB3 LYS 44 6.087 9.413 14.088 182 HG2 LYS 44 HG2 LYS 44 4.688 10.598 16.466 183 HG3 LYS 44 HG3 LYS 44 5.853 9.283 16.616 184 HD2 LYS 44 HD2 LYS 44 6.425 11.944 15.304 185 HD3 LYS 44 HD3 LYS 44 6.851 11.528 16.967 186 HE2 LYS 44 HE2 LYS 44 8.151 9.590 16.027 187 HE3 LYS 44 HE3 LYS 44 7.883 10.278 14.427 188 HZ1 LYS 44 HZ3 LYS 44 9.043 12.285 15.145 189 HZ2 LYS 44 HZ1 LYS 44 10.032 10.918 15.330 190 HZ3 LYS 44 HZ2 LYS 44 9.285 11.616 16.680 191 H SER 45 HN SER 45 2.354 9.900 12.391 192 HA SER 45 HA SER 45 3.624 10.129 9.874 193 HG SER 45 HG SER 45 4.414 7.699 8.503 194 HB2 SER 45 HB2 SER 45 4.580 7.982 10.575 195 HB3 SER 45 HB3 SER 45 2.962 7.335 10.810 196 H THR 46 HN THR 46 2.097 8.970 8.147 197 HA THR 46 HA THR 46 -0.698 9.123 8.851 198 HB THR 46 HB THR 46 0.449 11.118 6.887 199 HG1 THR 46 HG1 THR 46 -0.030 11.248 9.555 200 HG21 THR 46 HG23 THR 46 -2.400 10.594 7.757 201 HG22 THR 46 HG21 THR 46 -1.713 10.331 6.153 202 HG23 THR 46 HG22 THR 46 -1.871 11.974 6.780 203 H TRP 47 HN TRP 47 -1.428 7.339 7.863 204 HA TRP 47 HA TRP 47 -0.552 6.749 5.106 205 HD1 TRP 47 HD1 TRP 47 1.570 6.928 6.039 206 HE1 TRP 47 HE1 TRP 47 3.920 5.963 6.332 207 HE3 TRP 47 HE3 TRP 47 0.315 2.113 7.169 208 HZ2 TRP 47 HZ2 TRP 47 5.095 3.496 6.969 209 HZ3 TRP 47 HZ3 TRP 47 2.109 0.501 7.614 210 HH2 TRP 47 HH2 TRP 47 4.458 1.189 7.519 211 HB2 TRP 47 HB2 TRP 47 -0.983 4.784 7.368 212 HB3 TRP 47 HB3 TRP 47 -0.918 4.301 5.676 213 H LEU 48 HN LEU 48 -2.157 5.830 3.700 214 HA LEU 48 HA LEU 48 -4.824 5.703 4.897 215 HG LEU 48 HG LEU 48 -3.992 6.189 1.329 216 HB2 LEU 48 HB2 LEU 48 -5.877 6.798 3.045 217 HB3 LEU 48 HB3 LEU 48 -4.667 7.866 3.724 218 HD11 LEU 48 HD11 LEU 48 -4.743 8.075 -0.072 219 HD12 LEU 48 HD12 LEU 48 -6.071 7.240 0.732 220 HD13 LEU 48 HD13 LEU 48 -5.504 8.793 1.344 221 HD21 LEU 48 HD23 LEU 48 -2.169 7.376 2.380 222 HD22 LEU 48 HD21 LEU 48 -2.555 8.126 0.831 223 HD23 LEU 48 HD22 LEU 48 -3.073 8.890 2.332 224 H ILE 49 HN ILE 49 -6.396 4.789 3.026 225 HA ILE 49 HA ILE 49 -4.972 2.580 1.718 226 HB ILE 49 HB ILE 49 -7.492 2.306 3.373 227 HG12 ILE 49 HG12 ILE 49 -4.768 1.001 3.636 228 HG13 ILE 49 HG13 ILE 49 -5.309 2.377 4.597 229 HG21 ILE 49 HG21 ILE 49 -7.466 -0.051 2.732 230 HG22 ILE 49 HG22 ILE 49 -7.660 1.001 1.328 231 HG23 ILE 49 HG23 ILE 49 -6.097 0.252 1.660 232 HD11 ILE 49 HD13 ILE 49 -6.984 1.072 5.644 233 HD12 ILE 49 HD11 ILE 49 -6.706 -0.275 4.546 234 HD13 ILE 49 HD12 ILE 49 -5.469 0.175 5.725 235 H LEU 50 HN LEU 50 -5.301 2.734 -0.384 236 HA LEU 50 HA LEU 50 -8.021 3.387 -1.345 237 HG LEU 50 HG LEU 50 -5.781 5.702 -1.307 238 HB2 LEU 50 HB2 LEU 50 -5.359 3.783 -2.726 239 HB3 LEU 50 HB3 LEU 50 -6.914 3.970 -3.506 240 HD11 LEU 50 HD11 LEU 50 -5.896 7.445 -3.028 241 HD12 LEU 50 HD12 LEU 50 -4.864 6.104 -3.529 242 HD13 LEU 50 HD13 LEU 50 -6.493 6.255 -4.187 243 HD21 LEU 50 HD23 LEU 50 -8.437 5.975 -2.673 244 HD22 LEU 50 HD21 LEU 50 -8.212 5.349 -1.042 245 HD23 LEU 50 HD22 LEU 50 -7.774 7.015 -1.421 246 H HIS 51 HN HIS 51 -8.972 1.436 -1.757 247 HA HIS 51 HA HIS 51 -9.338 -0.607 -2.754 248 HD1 HIS 51 HD1 HIS 51 -9.838 -1.352 -6.215 249 HD2 HIS 51 HD2 HIS 51 -9.749 2.470 -4.622 250 HE1 HIS 51 HE1 HIS 51 -11.846 -0.202 -7.163 251 HE2 HIS 51 HE2 HIS 51 -11.957 1.974 -5.910 252 HB2 HIS 51 HB2 HIS 51 -7.401 0.733 -4.607 253 HB3 HIS 51 HB3 HIS 51 -7.824 -0.952 -4.893 254 H HIS 52 HN HIS 52 -8.041 -1.188 -0.588 255 HA HIS 52 HA HIS 52 -6.733 -2.761 0.452 256 HD1 HIS 52 HD1 HIS 52 -6.620 -6.056 -2.850 257 HD2 HIS 52 HD2 HIS 52 -8.851 -3.937 -0.060 258 HE1 HIS 52 HE1 HIS 52 -8.786 -7.309 -2.644 259 HE2 HIS 52 HE2 HIS 52 -10.193 -5.924 -1.065 260 HB2 HIS 52 HB2 HIS 52 -5.897 -3.483 -2.362 261 HB3 HIS 52 HB3 HIS 52 -5.340 -4.325 -0.925 262 H LYS 53 HN LYS 53 -5.211 -0.847 -2.106 263 HA LYS 53 HA LYS 53 -2.572 -1.285 -1.291 264 HB2 LYS 53 HB2 LYS 53 -3.287 1.295 -2.589 265 HB3 LYS 53 HB3 LYS 53 -1.923 0.235 -2.874 266 HG2 LYS 53 HG2 LYS 53 -4.759 -0.188 -3.798 267 HG3 LYS 53 HG3 LYS 53 -3.372 0.267 -4.768 268 HD2 LYS 53 HD2 LYS 53 -2.316 -1.866 -4.388 269 HD3 LYS 53 HD3 LYS 53 -3.610 -2.326 -3.271 270 HE2 LYS 53 HE2 LYS 53 -5.223 -2.100 -5.154 271 HE3 LYS 53 HE3 LYS 53 -3.855 -1.812 -6.222 272 HZ1 LYS 53 HZ3 LYS 53 -4.686 -4.144 -6.207 273 HZ2 LYS 53 HZ1 LYS 53 -4.163 -4.284 -4.600 274 HZ3 LYS 53 HZ2 LYS 53 -3.044 -3.993 -5.837 275 H VAL 54 HN VAL 54 -1.480 -0.512 0.410 276 HA VAL 54 HA VAL 54 -2.577 1.716 1.950 277 HB VAL 54 HB VAL 54 -1.828 -0.207 3.242 278 HG11 VAL 54 HG11 VAL 54 -0.165 -1.135 1.752 279 HG12 VAL 54 HG12 VAL 54 0.891 0.263 2.028 280 HG13 VAL 54 HG13 VAL 54 0.532 -0.854 3.344 281 HG21 VAL 54 HG23 VAL 54 -0.021 2.188 3.554 282 HG22 VAL 54 HG21 VAL 54 -1.590 1.929 4.315 283 HG23 VAL 54 HG22 VAL 54 -0.217 0.915 4.764 284 H TYR 55 HN TYR 55 -1.734 3.709 1.939 285 HA TYR 55 HA TYR 55 0.672 4.155 0.308 286 HD1 TYR 55 HD2 TYR 55 -2.821 3.892 -0.331 287 HD2 TYR 55 HD1 TYR 55 -0.070 6.525 -2.246 288 HE1 TYR 55 HE2 TYR 55 -3.666 3.156 -2.521 289 HE2 TYR 55 HE1 TYR 55 -0.917 5.793 -4.448 290 HH TYR 55 HH TYR 55 -3.775 3.906 -4.786 291 HB2 TYR 55 HB2 TYR 55 -1.702 5.937 0.842 292 HB3 TYR 55 HB3 TYR 55 -0.224 6.523 0.094 293 H ASP 56 HN ASP 56 2.008 6.001 0.968 294 HA ASP 56 HA ASP 56 1.680 6.825 3.763 295 HB2 ASP 56 HB2 ASP 56 3.725 5.509 3.610 296 HB3 ASP 56 HB3 ASP 56 4.247 6.427 2.207 297 H LEU 57 HN LEU 57 1.370 9.049 3.965 298 HA LEU 57 HA LEU 57 2.107 10.640 1.618 299 HG LEU 57 HG LEU 57 -0.871 9.921 2.632 300 HB2 LEU 57 HB2 LEU 57 0.431 11.545 3.930 301 HB3 LEU 57 HB3 LEU 57 0.768 12.449 2.474 302 HD11 LEU 57 HD11 LEU 57 -1.994 11.889 3.538 303 HD12 LEU 57 HD12 LEU 57 -1.652 12.765 2.050 304 HD13 LEU 57 HD13 LEU 57 -2.721 11.370 2.020 305 HD21 LEU 57 HD23 LEU 57 -0.125 11.641 0.273 306 HD22 LEU 57 HD21 LEU 57 0.308 9.954 0.537 307 HD23 LEU 57 HD22 LEU 57 -1.366 10.398 0.256 308 H THR 58 HN THR 58 2.012 11.237 5.090 309 HA THR 58 HA THR 58 3.255 12.505 6.456 310 HB THR 58 HB THR 58 5.662 11.878 6.571 311 HG1 THR 58 HG1 THR 58 5.112 9.928 4.577 312 HG21 THR 58 HG23 THR 58 3.904 10.642 7.778 313 HG22 THR 58 HG21 THR 58 5.233 9.588 7.290 314 HG23 THR 58 HG22 THR 58 3.721 9.576 6.389 315 H LYS 59 HN LYS 59 5.806 12.458 4.125 316 HA LYS 59 HA LYS 59 6.379 15.181 4.084 317 HB2 LYS 59 HB2 LYS 59 7.601 14.616 1.988 318 HB3 LYS 59 HB3 LYS 59 7.930 13.519 3.326 319 HG2 LYS 59 HG2 LYS 59 6.078 12.056 2.272 320 HG3 LYS 59 HG3 LYS 59 6.337 13.023 0.830 321 HD2 LYS 59 HD2 LYS 59 7.667 11.051 0.673 322 HD3 LYS 59 HD3 LYS 59 8.732 12.443 0.902 323 HE2 LYS 59 HE2 LYS 59 9.511 10.621 2.282 324 HE3 LYS 59 HE3 LYS 59 8.868 11.895 3.315 325 HZ1 LYS 59 HZ3 LYS 59 7.409 9.424 2.538 326 HZ2 LYS 59 HZ1 LYS 59 6.823 10.644 3.558 327 HZ3 LYS 59 HZ2 LYS 59 8.141 9.710 4.039 328 H PHE 60 HN PHE 60 3.989 13.340 2.331 329 HA PHE 60 HA PHE 60 3.822 14.994 0.049 330 HD1 PHE 60 HD1 PHE 60 3.680 13.701 -2.129 331 HD2 PHE 60 HD2 PHE 60 -0.109 13.351 -0.273 332 HE1 PHE 60 HE1 PHE 60 2.584 14.053 -4.296 333 HE2 PHE 60 HE2 PHE 60 -1.224 13.714 -2.430 334 HZ PHE 60 HZ PHE 60 0.124 14.061 -4.457 335 HB2 PHE 60 HB2 PHE 60 3.265 12.532 0.134 336 HB3 PHE 60 HB3 PHE 60 1.778 12.975 0.973 337 H LEU 61 HN LEU 61 2.551 15.416 3.107 338 HA LEU 61 HA LEU 61 -0.118 16.129 2.760 339 HG LEU 61 HG LEU 61 1.759 14.686 4.920 340 HB2 LEU 61 HB2 LEU 61 1.838 17.119 4.823 341 HB3 LEU 61 HB3 LEU 61 0.096 17.210 4.965 342 HD11 LEU 61 HD11 LEU 61 0.908 14.403 7.225 343 HD12 LEU 61 HD12 LEU 61 1.908 15.848 7.044 344 HD13 LEU 61 HD13 LEU 61 0.150 15.999 7.107 345 HD21 LEU 61 HD23 LEU 61 -0.326 14.282 3.794 346 HD22 LEU 61 HD21 LEU 61 -0.356 13.527 5.389 347 HD23 LEU 61 HD22 LEU 61 -1.215 15.041 5.113 348 H GLU 62 HN GLU 62 2.769 17.983 2.306 349 HA GLU 62 HA GLU 62 1.273 20.500 2.170 350 HB2 GLU 62 HB2 GLU 62 3.517 21.553 2.297 351 HB3 GLU 62 HB3 GLU 62 3.170 20.520 3.669 352 HG2 GLU 62 HG2 GLU 62 5.282 19.875 3.298 353 HG3 GLU 62 HG3 GLU 62 4.498 18.761 2.181 354 H GLU 63 HN GLU 63 2.357 18.104 0.197 355 HA GLU 63 HA GLU 63 3.026 19.764 -2.113 356 HB2 GLU 63 HB2 GLU 63 3.091 16.811 -1.532 357 HB3 GLU 63 HB3 GLU 63 3.289 17.430 -3.166 358 HG2 GLU 63 HG2 GLU 63 4.976 18.470 -0.942 359 HG3 GLU 63 HG3 GLU 63 5.362 16.922 -1.694 360 H HIS 64 HN HIS 64 0.429 18.103 -0.679 361 HA HIS 64 HA HIS 64 -0.990 17.373 -2.989 362 HD1 HIS 64 HD1 HIS 64 -4.460 17.436 -0.150 363 HD2 HIS 64 HD2 HIS 64 -2.657 14.919 -2.990 364 HE1 HIS 64 HE1 HIS 64 -6.318 15.975 -1.132 365 HB2 HIS 64 HB3 HIS 64 -1.135 16.258 -0.766 366 HB3 HIS 64 HB2 HIS 64 -1.976 17.639 -0.134 367 HA PRO 65 HA PRO 65 -2.325 21.421 -4.069 368 HB2 PRO 65 HB2 PRO 65 -4.396 20.784 -5.729 369 HB3 PRO 65 HB3 PRO 65 -2.700 20.636 -6.170 370 HG2 PRO 65 HG2 PRO 65 -4.606 18.539 -5.263 371 HG3 PRO 65 HG3 PRO 65 -3.363 18.453 -6.520 372 HD2 PRO 65 HD2 PRO 65 -2.986 17.392 -4.078 373 HD3 PRO 65 HD3 PRO 65 -1.663 18.098 -5.016 374 H GLY 66 HN GLY 66 -4.418 19.441 -2.214 375 HA2 GLY 66 HA1 GLY 66 -5.806 21.719 -1.196 376 HA3 GLY 66 HA2 GLY 66 -6.821 20.854 -2.326 377 H GLY 67 HN GLY 67 -5.856 21.112 0.894 378 HA2 GLY 67 HA1 GLY 67 -7.574 20.158 2.340 379 HA3 GLY 67 HA2 GLY 67 -7.414 18.667 1.439 380 H GLU 68 HN GLU 68 -5.072 20.875 3.020 381 HA GLU 68 HA GLU 68 -3.280 18.960 3.909 382 HB2 GLU 68 HB2 GLU 68 -2.905 21.409 4.000 383 HB3 GLU 68 HB3 GLU 68 -4.072 21.529 5.315 384 HG2 GLU 68 HG2 GLU 68 -2.571 19.933 6.595 385 HG3 GLU 68 HG3 GLU 68 -1.364 20.212 5.342 386 H GLU 69 HN GLU 69 -5.871 20.500 5.746 387 HA GLU 69 HA GLU 69 -5.642 18.822 8.011 388 HB2 GLU 69 HB2 GLU 69 -7.812 19.930 8.686 389 HB3 GLU 69 HB3 GLU 69 -6.506 21.039 8.309 390 HG2 GLU 69 HG2 GLU 69 -7.473 21.352 6.069 391 HG3 GLU 69 HG3 GLU 69 -8.813 20.317 6.537 392 H VAL 70 HN VAL 70 -7.492 18.693 5.107 393 HA VAL 70 HA VAL 70 -9.687 17.174 6.033 394 HB VAL 70 HB VAL 70 -8.692 17.548 3.190 395 HG11 VAL 70 HG11 VAL 70 -11.046 17.126 2.579 396 HG12 VAL 70 HG12 VAL 70 -10.264 15.727 3.317 397 HG13 VAL 70 HG13 VAL 70 -11.381 16.716 4.258 398 HG21 VAL 70 HG23 VAL 70 -10.316 19.374 3.082 399 HG22 VAL 70 HG21 VAL 70 -10.664 19.164 4.798 400 HG23 VAL 70 HG22 VAL 70 -9.059 19.679 4.279 401 H LEU 71 HN LEU 71 -6.543 16.371 4.805 402 HA LEU 71 HA LEU 71 -6.962 13.731 4.025 403 HG LEU 71 HG LEU 71 -5.060 16.145 3.255 404 HB2 LEU 71 HB2 LEU 71 -4.506 14.937 5.295 405 HB3 LEU 71 HB3 LEU 71 -4.571 13.419 4.423 406 HD11 LEU 71 HD11 LEU 71 -2.745 15.801 3.714 407 HD12 LEU 71 HD12 LEU 71 -2.789 14.205 2.964 408 HD13 LEU 71 HD13 LEU 71 -3.014 15.649 1.980 409 HD21 LEU 71 HD23 LEU 71 -5.255 15.090 1.125 410 HD22 LEU 71 HD21 LEU 71 -4.989 13.499 1.822 411 HD23 LEU 71 HD22 LEU 71 -6.461 14.399 2.203 412 H ARG 72 HN ARG 72 -6.495 15.213 7.128 413 HA ARG 72 HA ARG 72 -5.481 13.039 8.578 414 HE ARG 72 HE ARG 72 -3.005 17.433 9.171 415 HB2 ARG 72 HB2 ARG 72 -6.918 15.517 9.553 416 HB3 ARG 72 HB3 ARG 72 -6.026 14.405 10.583 417 HG2 ARG 72 HG2 ARG 72 -3.977 14.903 9.356 418 HG3 ARG 72 HG3 ARG 72 -4.877 16.016 8.322 419 HD2 ARG 72 HD2 ARG 72 -5.461 17.346 10.299 420 HD3 ARG 72 HD3 ARG 72 -4.527 16.241 11.304 421 HH11 ARG 72 HH12 ARG 72 -4.187 17.774 12.448 422 HH12 ARG 72 HH11 ARG 72 -2.977 18.942 12.905 423 HH21 ARG 72 HH22 ARG 72 -1.404 18.999 9.759 424 HH22 ARG 72 HH21 ARG 72 -1.409 19.637 11.369 425 H GLU 73 HN GLU 73 -8.721 13.984 7.841 426 HA GLU 73 HA GLU 73 -10.045 12.627 9.959 427 HB2 GLU 73 HB2 GLU 73 -10.927 14.571 8.585 428 HB3 GLU 73 HB3 GLU 73 -11.177 13.422 7.283 429 HG2 GLU 73 HG2 GLU 73 -13.268 13.698 8.335 430 HG3 GLU 73 HG3 GLU 73 -12.654 12.121 8.833 431 H GLN 74 HN GLN 74 -8.887 11.794 6.823 432 HA GLN 74 HA GLN 74 -10.339 9.239 6.796 433 HB2 GLN 74 HB2 GLN 74 -8.779 10.603 4.578 434 HB3 GLN 74 HB3 GLN 74 -9.827 9.205 4.409 435 HG2 GLN 74 HG2 GLN 74 -10.741 11.933 5.235 436 HG3 GLN 74 HG3 GLN 74 -10.838 11.293 3.601 437 HE21 GLN 74 HE21 GLN 74 -12.361 9.761 3.116 438 HE22 GLN 74 HE22 GLN 74 -13.694 9.395 4.150 439 H ALA 75 HN ALA 75 -7.608 10.467 7.926 440 HA ALA 75 HA ALA 75 -5.667 8.639 6.869 441 HB1 ALA 75 HB3 ALA 75 -5.483 10.438 9.291 442 HB2 ALA 75 HB1 ALA 75 -4.140 9.629 8.489 443 HB3 ALA 75 HB2 ALA 75 -5.032 10.900 7.651 444 H GLY 76 HN GLY 76 -5.384 6.635 7.497 445 HA2 GLY 76 HA1 GLY 76 -5.290 5.207 9.662 446 HA3 GLY 76 HA2 GLY 76 -6.988 5.679 9.768 447 H GLY 77 HN GLY 77 -7.263 5.737 6.883 448 HA2 GLY 77 HA1 GLY 77 -6.616 3.865 5.214 449 HA3 GLY 77 HA2 GLY 77 -7.417 2.846 6.405 450 H ASP 78 HN ASP 78 -8.699 2.370 4.392 451 HA ASP 78 HA ASP 78 -10.804 2.272 3.585 452 HB2 ASP 78 HB2 ASP 78 -11.255 4.184 5.857 453 HB3 ASP 78 HB3 ASP 78 -12.570 3.693 4.797 454 H ALA 79 HN ALA 79 -8.932 4.839 3.000 455 HA ALA 79 HA ALA 79 -10.822 6.939 2.677 456 HB1 ALA 79 HB3 ALA 79 -8.509 7.302 3.452 457 HB2 ALA 79 HB1 ALA 79 -7.930 6.885 1.843 458 HB3 ALA 79 HB2 ALA 79 -8.934 8.318 2.071 459 H THR 80 HN THR 80 -10.891 4.499 0.813 460 HA THR 80 HA THR 80 -10.287 5.529 -1.781 461 HB THR 80 HB THR 80 -10.193 3.103 -1.242 462 HG1 THR 80 HG1 THR 80 -12.112 3.241 -3.257 463 HG21 THR 80 HG23 THR 80 -13.214 3.291 -1.296 464 HG22 THR 80 HG21 THR 80 -12.221 2.972 0.130 465 HG23 THR 80 HG22 THR 80 -12.250 1.814 -1.192 466 H GLU 81 HN GLU 81 -12.807 6.056 0.326 467 HA GLU 81 HA GLU 81 -15.147 6.149 -1.113 468 HB2 GLU 81 HB2 GLU 81 -15.042 6.593 1.274 469 HB3 GLU 81 HB3 GLU 81 -14.107 8.060 1.000 470 HG2 GLU 81 HG2 GLU 81 -16.004 9.057 -0.145 471 HG3 GLU 81 HG3 GLU 81 -16.937 7.592 0.147 472 H ASN 82 HN ASN 82 -12.815 8.789 -0.764 473 HA ASN 82 HA ASN 82 -14.234 10.599 -2.440 474 HB2 ASN 82 HB2 ASN 82 -12.689 11.269 -0.589 475 HB3 ASN 82 HB3 ASN 82 -11.333 10.674 -1.548 476 HD21 ASN 82 HD21 ASN 82 -10.589 11.857 -3.265 477 HD22 ASN 82 HD22 ASN 82 -11.063 13.495 -3.543 478 H PHE 83 HN PHE 83 -12.132 8.043 -3.053 479 HA PHE 83 HA PHE 83 -10.854 9.084 -5.423 480 HD1 PHE 83 HD1 PHE 83 -8.293 8.322 -5.942 481 HD2 PHE 83 HD2 PHE 83 -10.551 4.726 -5.672 482 HE1 PHE 83 HE1 PHE 83 -6.981 7.370 -7.788 483 HE2 PHE 83 HE2 PHE 83 -9.255 3.761 -7.517 484 HZ PHE 83 HZ PHE 83 -7.406 4.984 -8.497 485 HB2 PHE 83 HB2 PHE 83 -9.612 7.653 -3.883 486 HB3 PHE 83 HB3 PHE 83 -10.808 6.385 -4.054 487 H GLU 84 HN GLU 84 -13.552 7.131 -4.550 488 HA GLU 84 HA GLU 84 -13.878 6.182 -7.307 489 HB2 GLU 84 HB2 GLU 84 -14.957 5.155 -4.682 490 HB3 GLU 84 HB3 GLU 84 -15.425 4.506 -6.246 491 HG2 GLU 84 HG2 GLU 84 -13.087 3.925 -6.700 492 HG3 GLU 84 HG3 GLU 84 -12.635 4.543 -5.117 493 H ASP 85 HN ASP 85 -15.041 8.426 -5.120 494 HA ASP 85 HA ASP 85 -17.677 8.652 -6.389 495 HB2 ASP 85 HB2 ASP 85 -17.447 8.919 -3.897 496 HB3 ASP 85 HB3 ASP 85 -16.473 10.358 -4.180 497 H VAL 86 HN VAL 86 -16.670 11.685 -5.453 498 HA VAL 86 HA VAL 86 -15.322 12.186 -8.029 499 HB VAL 86 HB VAL 86 -17.319 14.059 -6.737 500 HG11 VAL 86 HG11 VAL 86 -15.443 15.189 -7.876 501 HG12 VAL 86 HG12 VAL 86 -15.809 14.292 -9.352 502 HG13 VAL 86 HG13 VAL 86 -16.977 15.451 -8.706 503 HG21 VAL 86 HG23 VAL 86 -18.693 13.613 -8.727 504 HG22 VAL 86 HG21 VAL 86 -17.505 12.413 -9.260 505 HG23 VAL 86 HG22 VAL 86 -18.414 12.152 -7.768 506 H GLY 87 HN GLY 87 -13.313 12.486 -7.478 507 HA2 GLY 87 HA1 GLY 87 -12.618 14.738 -5.857 508 HA3 GLY 87 HA2 GLY 87 -12.265 13.201 -5.080 509 H HIS 88 HN HIS 88 -11.496 11.685 -7.270 510 HA HIS 88 HA HIS 88 -9.029 13.091 -8.017 511 HD1 HIS 88 HD1 HIS 88 -8.048 9.366 -5.459 512 HD2 HIS 88 HD2 HIS 88 -7.594 13.390 -6.411 513 HE1 HIS 88 HE1 HIS 88 -6.689 10.402 -3.575 514 HB2 HIS 88 HB2 HIS 88 -9.555 10.190 -7.416 515 HB3 HIS 88 HB3 HIS 88 -8.165 10.692 -8.371 516 H SER 89 HN SER 89 -8.092 12.568 -10.077 517 HA SER 89 HA SER 89 -9.891 11.256 -11.981 518 HG SER 89 HG SER 89 -8.155 14.799 -12.292 519 HB2 SER 89 HB2 SER 89 -8.936 12.752 -13.745 520 HB3 SER 89 HB3 SER 89 -9.882 13.603 -12.534 521 H THR 90 HN THR 90 -7.959 11.179 -14.123 522 HA THR 90 HA THR 90 -6.537 8.857 -13.302 523 HB THR 90 HB THR 90 -5.452 9.186 -15.628 524 HG1 THR 90 HG1 THR 90 -7.461 10.633 -16.628 525 HG21 THR 90 HG23 THR 90 -8.449 8.841 -15.427 526 HG22 THR 90 HG21 THR 90 -7.263 7.569 -15.116 527 HG23 THR 90 HG22 THR 90 -7.416 8.266 -16.733 528 H ASP 91 HN ASP 91 -5.733 12.239 -13.471 529 HA ASP 91 HA ASP 91 -2.990 12.246 -13.693 530 HB2 ASP 91 HB2 ASP 91 -4.714 14.202 -13.446 531 HB3 ASP 91 HB3 ASP 91 -4.351 14.055 -11.731 532 H ALA 92 HN ALA 92 -4.852 12.264 -10.701 533 HA ALA 92 HA ALA 92 -2.627 11.932 -8.970 534 HB1 ALA 92 HB3 ALA 92 -4.756 12.939 -8.246 535 HB2 ALA 92 HB1 ALA 92 -5.529 11.354 -8.384 536 HB3 ALA 92 HB2 ALA 92 -4.244 11.609 -7.200 537 H ARG 93 HN ARG 93 -4.508 9.721 -10.782 538 HA ARG 93 HA ARG 93 -4.099 7.384 -9.261 539 HE ARG 93 HE ARG 93 -3.820 5.133 -14.179 540 HB2 ARG 93 HB2 ARG 93 -5.821 7.254 -10.829 541 HB3 ARG 93 HB3 ARG 93 -4.879 8.037 -12.085 542 HG2 ARG 93 HG2 ARG 93 -3.510 5.989 -12.256 543 HG3 ARG 93 HG3 ARG 93 -4.598 5.218 -11.096 544 HD2 ARG 93 HD2 ARG 93 -6.190 4.898 -12.627 545 HD3 ARG 93 HD3 ARG 93 -6.019 6.528 -13.274 546 HH11 ARG 93 HH12 ARG 93 -7.301 4.733 -14.427 547 HH12 ARG 93 HH11 ARG 93 -7.241 4.125 -16.052 548 HH21 ARG 93 HH22 ARG 93 -3.753 4.311 -16.334 549 HH22 ARG 93 HH21 ARG 93 -5.234 3.879 -17.128 550 H GLU 94 HN GLU 94 -2.106 9.195 -11.369 551 HA GLU 94 HA GLU 94 -0.347 6.939 -11.996 552 HB2 GLU 94 HB2 GLU 94 -1.411 8.428 -13.811 553 HB3 GLU 94 HB3 GLU 94 -0.304 9.682 -13.259 554 HG2 GLU 94 HG2 GLU 94 0.648 8.602 -15.165 555 HG3 GLU 94 HG3 GLU 94 1.588 8.169 -13.742 556 H MET 95 HN MET 95 -0.636 10.030 -10.535 557 HA MET 95 HA MET 95 2.112 10.523 -9.957 558 HB2 MET 95 HB2 MET 95 0.510 12.334 -10.090 559 HB3 MET 95 HB3 MET 95 -0.464 11.619 -8.808 560 HG2 MET 95 HG2 MET 95 0.770 13.460 -7.901 561 HG3 MET 95 HG3 MET 95 1.435 11.963 -7.249 562 HE1 MET 95 HE3 MET 95 2.839 14.851 -7.166 563 HE2 MET 95 HE1 MET 95 3.526 13.406 -6.427 564 HE3 MET 95 HE2 MET 95 4.505 14.392 -7.512 565 H SER 96 HN SER 96 -0.454 8.729 -8.469 566 HA SER 96 HA SER 96 0.746 8.813 -5.854 567 HG SER 96 HG SER 96 -2.555 7.787 -7.504 568 HB2 SER 96 HB2 SER 96 -1.246 7.594 -5.133 569 HB3 SER 96 HB3 SER 96 -1.651 9.022 -6.083 570 H LYS 97 HN LYS 97 1.213 6.913 -8.479 571 HA LYS 97 HA LYS 97 0.863 4.308 -7.559 572 HB2 LYS 97 HB2 LYS 97 2.048 3.603 -9.520 573 HB3 LYS 97 HB3 LYS 97 1.043 4.983 -9.946 574 HG2 LYS 97 HG2 LYS 97 3.112 6.400 -9.694 575 HG3 LYS 97 HG3 LYS 97 4.028 4.899 -9.575 576 HD2 LYS 97 HD2 LYS 97 2.390 5.884 -11.910 577 HD3 LYS 97 HD3 LYS 97 4.125 5.570 -11.854 578 HE2 LYS 97 HE2 LYS 97 3.728 3.201 -11.634 579 HE3 LYS 97 HE3 LYS 97 1.989 3.470 -11.516 580 HZ1 LYS 97 HZ3 LYS 97 2.400 2.833 -13.724 581 HZ2 LYS 97 HZ1 LYS 97 3.735 3.869 -13.875 582 HZ3 LYS 97 HZ2 LYS 97 2.168 4.515 -13.784 583 H THR 98 HN THR 98 3.579 6.469 -7.251 584 HA THR 98 HA THR 98 5.370 4.351 -6.414 585 HB THR 98 HB THR 98 6.078 7.274 -6.293 586 HG1 THR 98 HG1 THR 98 6.422 7.275 -8.510 587 HG21 THR 98 HG23 THR 98 7.628 4.807 -7.088 588 HG22 THR 98 HG21 THR 98 7.742 5.632 -5.536 589 HG23 THR 98 HG22 THR 98 8.273 6.442 -7.007 590 H PHE 99 HN PHE 99 2.998 5.994 -4.934 591 HA PHE 99 HA PHE 99 4.341 6.197 -2.334 592 HD1 PHE 99 HD1 PHE 99 4.415 8.488 -1.252 593 HD2 PHE 99 HD2 PHE 99 1.981 8.909 -4.690 594 HE1 PHE 99 HE1 PHE 99 5.457 10.658 -1.713 595 HE2 PHE 99 HE2 PHE 99 3.005 11.092 -5.176 596 HZ PHE 99 HZ PHE 99 4.842 11.923 -3.733 597 HB2 PHE 99 HB2 PHE 99 1.617 7.124 -3.285 598 HB3 PHE 99 HB3 PHE 99 2.158 7.235 -1.614 599 H ILE 100 HN ILE 100 2.665 4.035 -4.193 600 HA ILE 100 HA ILE 100 1.078 2.756 -2.164 601 HB ILE 100 HB ILE 100 2.029 1.676 -4.828 602 HG12 ILE 100 HG12 ILE 100 -0.553 3.037 -4.044 603 HG13 ILE 100 HG13 ILE 100 0.700 3.702 -5.095 604 HG21 ILE 100 HG21 ILE 100 -0.131 0.743 -2.941 605 HG22 ILE 100 HG22 ILE 100 0.122 0.087 -4.558 606 HG23 ILE 100 HG23 ILE 100 1.362 -0.112 -3.310 607 HD11 ILE 100 HD13 ILE 100 -1.222 2.950 -6.351 608 HD12 ILE 100 HD11 ILE 100 0.185 1.980 -6.760 609 HD13 ILE 100 HD12 ILE 100 -1.066 1.319 -5.701 610 H ILE 101 HN ILE 101 2.358 2.068 -0.433 611 HA ILE 101 HA ILE 101 4.929 0.844 -0.995 612 HB ILE 101 HB ILE 101 5.208 0.746 1.457 613 HG12 ILE 101 HG12 ILE 101 2.429 1.964 1.524 614 HG13 ILE 101 HG13 ILE 101 2.850 0.350 2.088 615 HG21 ILE 101 HG21 ILE 101 4.286 3.378 0.344 616 HG22 ILE 101 HG22 ILE 101 5.209 3.202 1.835 617 HG23 ILE 101 HG23 ILE 101 5.920 2.725 0.290 618 HD11 ILE 101 HD13 ILE 101 4.306 1.407 3.808 619 HD12 ILE 101 HD11 ILE 101 3.697 2.975 3.289 620 HD13 ILE 101 HD12 ILE 101 2.593 1.789 3.978 621 H GLY 102 HN GLY 102 1.751 -0.238 -0.452 622 HA2 GLY 102 HA1 GLY 102 2.362 -2.884 -1.131 623 HA3 GLY 102 HA2 GLY 102 2.275 -2.798 0.621 624 H GLU 103 HN GLU 103 0.491 -4.386 0.002 625 HA GLU 103 HA GLU 103 -1.980 -2.759 -0.008 626 HB2 GLU 103 HB2 GLU 103 -1.654 -5.702 -0.639 627 HB3 GLU 103 HB3 GLU 103 -3.209 -4.909 -0.419 628 HG2 GLU 103 HG2 GLU 103 -2.625 -3.406 -2.313 629 HG3 GLU 103 HG3 GLU 103 -1.173 -4.367 -2.564 630 H LEU 104 HN LEU 104 -3.641 -4.614 1.303 631 HA LEU 104 HA LEU 104 -2.448 -4.584 3.972 632 HG LEU 104 HG LEU 104 -3.804 -2.661 3.985 633 HB2 LEU 104 HB2 LEU 104 -5.260 -4.840 2.985 634 HB3 LEU 104 HB3 LEU 104 -4.840 -5.263 4.635 635 HD11 LEU 104 HD11 LEU 104 -5.932 -1.500 3.711 636 HD12 LEU 104 HD12 LEU 104 -5.637 -2.608 2.370 637 HD13 LEU 104 HD13 LEU 104 -6.773 -3.052 3.643 638 HD21 LEU 104 HD23 LEU 104 -5.886 -3.621 5.937 639 HD22 LEU 104 HD21 LEU 104 -4.149 -3.555 6.232 640 HD23 LEU 104 HD22 LEU 104 -5.059 -2.067 5.995 641 H HIS 105 HN HIS 105 -2.569 -6.407 5.345 642 HA HIS 105 HA HIS 105 -1.957 -8.912 4.227 643 HD1 HIS 105 HD1 HIS 105 -0.673 -10.588 7.699 644 HD2 HIS 105 HD2 HIS 105 0.198 -7.133 5.550 645 HE1 HIS 105 HE1 HIS 105 1.830 -10.319 7.790 646 HE2 HIS 105 HE2 HIS 105 2.258 -8.070 6.766 647 HB2 HIS 105 HB2 HIS 105 -2.585 -7.844 6.930 648 HB3 HIS 105 HB3 HIS 105 -2.719 -9.581 6.720 649 HA PRO 106 HA PRO 106 -5.826 -11.396 3.962 650 HB2 PRO 106 HB2 PRO 106 -5.159 -12.193 6.782 651 HB3 PRO 106 HB3 PRO 106 -5.802 -13.185 5.476 652 HG2 PRO 106 HG2 PRO 106 -3.209 -13.229 6.101 653 HG3 PRO 106 HG3 PRO 106 -3.752 -13.344 4.416 654 HD2 PRO 106 HD2 PRO 106 -2.396 -11.128 5.803 655 HD3 PRO 106 HD3 PRO 106 -2.494 -11.481 4.071 656 H ASP 107 HN ASP 107 -5.107 -9.395 6.649 657 HA ASP 107 HA ASP 107 -7.362 -9.089 8.142 658 HB2 ASP 107 HB2 ASP 107 -5.628 -6.823 7.147 659 HB3 ASP 107 HB3 ASP 107 -6.573 -6.842 8.630 660 H ASP 108 HN ASP 108 -6.779 -7.980 4.844 661 HA ASP 108 HA ASP 108 -9.485 -6.832 4.792 662 HB2 ASP 108 HB2 ASP 108 -7.970 -4.974 5.273 663 HB3 ASP 108 HB3 ASP 108 -6.966 -5.427 3.891 664 H ARG 109 HN ARG 109 -6.726 -8.067 3.166 665 HA ARG 109 HA ARG 109 -7.315 -7.604 0.494 666 HE ARG 109 HE ARG 109 -3.447 -10.220 -2.128 667 HB2 ARG 109 HB2 ARG 109 -5.093 -8.361 1.375 668 HB3 ARG 109 HB3 ARG 109 -5.760 -9.979 1.573 669 HG2 ARG 109 HG2 ARG 109 -6.375 -9.469 -1.012 670 HG3 ARG 109 HG3 ARG 109 -4.841 -8.615 -0.847 671 HD2 ARG 109 HD2 ARG 109 -3.955 -10.749 0.226 672 HD3 ARG 109 HD3 ARG 109 -5.426 -11.522 -0.368 673 HH11 ARG 109 HH12 ARG 109 -5.643 -12.886 -1.444 674 HH12 ARG 109 HH11 ARG 109 -5.376 -13.648 -2.987 675 HH21 ARG 109 HH22 ARG 109 -3.104 -11.263 -4.090 676 HH22 ARG 109 HH21 ARG 109 -3.946 -12.724 -4.478 677 HA PRO 110 HA PRO 110 -9.516 -11.710 0.024 678 HB2 PRO 110 HB2 PRO 110 -9.827 -13.162 2.483 679 HB3 PRO 110 HB3 PRO 110 -8.901 -13.605 1.052 680 HG2 PRO 110 HG2 PRO 110 -7.779 -12.998 3.471 681 HG3 PRO 110 HG3 PRO 110 -6.946 -12.835 1.916 682 HD2 PRO 110 HD2 PRO 110 -8.254 -10.714 3.572 683 HD3 PRO 110 HD3 PRO 110 -6.741 -10.652 2.632 684 H LYS 111 HN LYS 111 -10.226 -10.175 3.136 685 HA LYS 111 HA LYS 111 -12.152 -9.318 4.010 686 HB2 LYS 111 HB2 LYS 111 -13.201 -9.801 1.203 687 HB3 LYS 111 HB3 LYS 111 -14.135 -9.001 2.468 688 HG2 LYS 111 HG2 LYS 111 -11.419 -7.990 1.716 689 HG3 LYS 111 HG3 LYS 111 -12.850 -7.578 0.754 690 HD2 LYS 111 HD2 LYS 111 -13.930 -6.638 2.728 691 HD3 LYS 111 HD3 LYS 111 -12.546 -7.123 3.716 692 HE2 LYS 111 HE2 LYS 111 -11.102 -5.690 2.282 693 HE3 LYS 111 HE3 LYS 111 -12.564 -5.101 1.478 694 HZ1 LYS 111 HZ3 LYS 111 -11.515 -3.816 3.480 695 HZ2 LYS 111 HZ1 LYS 111 -12.395 -4.931 4.401 696 HZ3 LYS 111 HZ2 LYS 111 -13.209 -3.924 3.309 697 H LEU 112 HN LEU 112 -13.623 -11.625 1.787 698 HA LEU 112 HA LEU 112 -15.374 -12.738 3.770 699 HG LEU 112 HG LEU 112 -15.874 -15.310 2.300 700 HB2 LEU 112 HB2 LEU 112 -16.102 -12.444 1.482 701 HB3 LEU 112 HB3 LEU 112 -14.763 -13.413 0.892 702 HD11 LEU 112 HD11 LEU 112 -18.303 -15.111 2.460 703 HD12 LEU 112 HD12 LEU 112 -17.505 -13.864 3.421 704 HD13 LEU 112 HD13 LEU 112 -18.218 -13.454 1.862 705 HD21 LEU 112 HD23 LEU 112 -17.074 -14.277 -0.276 706 HD22 LEU 112 HD21 LEU 112 -15.634 -15.289 -0.129 707 HD23 LEU 112 HD22 LEU 112 -17.211 -15.929 0.339 708 H ASN 113 HN ASN 113 -12.288 -13.468 2.498 709 HA ASN 113 HA ASN 113 -12.407 -16.283 3.359 710 HB2 ASN 113 HB2 ASN 113 -11.993 -15.658 0.919 711 HB3 ASN 113 HB3 ASN 113 -10.447 -15.001 1.437 712 HD21 ASN 113 HD21 ASN 113 -11.963 -17.906 2.715 713 HD22 ASN 113 HD22 ASN 113 -10.775 -19.004 2.106 714 H LYS 114 HN LYS 114 -11.961 -14.346 5.321 715 HA LYS 114 HA LYS 114 -9.099 -14.704 5.902 716 HB2 LYS 114 HB2 LYS 114 -8.777 -12.474 6.551 717 HB3 LYS 114 HB3 LYS 114 -9.731 -12.337 5.077 718 HG2 LYS 114 HG2 LYS 114 -11.758 -12.031 6.412 719 HG3 LYS 114 HG3 LYS 114 -10.805 -12.184 7.888 720 HD2 LYS 114 HD2 LYS 114 -9.463 -10.222 7.079 721 HD3 LYS 114 HD3 LYS 114 -10.679 -10.011 5.815 722 HE2 LYS 114 HE2 LYS 114 -11.084 -9.854 8.806 723 HE3 LYS 114 HE3 LYS 114 -11.233 -8.549 7.629 724 HZ1 LYS 114 HZ3 LYS 114 -13.065 -9.919 6.606 725 HZ2 LYS 114 HZ1 LYS 114 -13.409 -9.233 8.116 726 HZ3 LYS 114 HZ2 LYS 114 -13.012 -10.879 7.998 727 HA PRO 115 HA PRO 115 -10.335 -15.967 10.034 728 HB2 PRO 115 HB2 PRO 115 -8.026 -14.409 10.979 729 HB3 PRO 115 HB3 PRO 115 -8.389 -16.130 11.164 730 HG2 PRO 115 HG2 PRO 115 -6.482 -15.132 9.477 731 HG3 PRO 115 HG3 PRO 115 -7.283 -16.694 9.263 732 HD2 PRO 115 HD2 PRO 115 -7.603 -14.192 7.766 733 HD3 PRO 115 HD3 PRO 115 -7.985 -15.850 7.274 734 HA PRO 116 HA PRO 116 -12.138 -12.137 11.488 735 HB2 PRO 116 HB2 PRO 116 -13.632 -13.271 13.469 736 HB3 PRO 116 HB3 PRO 116 -14.088 -13.293 11.766 737 HG2 PRO 116 HG2 PRO 116 -13.199 -15.498 13.457 738 HG3 PRO 116 HG3 PRO 116 -13.925 -15.556 11.845 739 HD2 PRO 116 HD2 PRO 116 -11.140 -15.813 12.628 740 HD3 PRO 116 HD3 PRO 116 -11.877 -16.089 11.037 741 H GLU 117 HN GLU 117 -9.516 -13.044 12.490 742 HA GLU 117 HA GLU 117 -8.094 -13.032 14.243 743 HB2 GLU 117 HB2 GLU 117 -7.916 -10.850 15.350 744 HB3 GLU 117 HB3 GLU 117 -8.112 -10.712 13.619 745 HG2 GLU 117 HG2 GLU 117 -9.592 -9.124 14.126 746 HG3 GLU 117 HG3 GLU 117 -10.678 -10.477 14.456 747 H THR 118 HN THR 118 -8.824 -11.479 16.826 748 HA THR 118 HA THR 118 -10.321 -13.708 18.047 749 HB THR 118 HB THR 118 -8.922 -13.258 20.110 750 HG1 THR 118 HG1 THR 118 -7.403 -11.844 18.160 751 HG21 THR 118 HG23 THR 118 -8.596 -15.253 18.769 752 HG22 THR 118 HG21 THR 118 -7.044 -14.635 19.328 753 HG23 THR 118 HG22 THR 118 -7.547 -14.363 17.661 754 H LEU 119 HN LEU 119 -9.037 -10.835 19.590 755 HA LEU 119 HA LEU 119 -11.654 -9.537 19.667 756 HG LEU 119 HG LEU 119 -11.982 -11.971 21.252 757 HB2 LEU 119 HB2 LEU 119 -10.161 -10.480 22.099 758 HB3 LEU 119 HB3 LEU 119 -11.321 -9.172 22.173 759 HD11 LEU 119 HD11 LEU 119 -12.439 -10.660 23.925 760 HD12 LEU 119 HD12 LEU 119 -13.028 -12.250 23.440 761 HD13 LEU 119 HD13 LEU 119 -11.293 -11.956 23.600 762 HD21 LEU 119 HD23 LEU 119 -13.743 -9.655 22.035 763 HD22 LEU 119 HD21 LEU 119 -13.477 -10.227 20.385 764 HD23 LEU 119 HD22 LEU 119 -14.285 -11.263 21.565 765 H ILE 120 HN ILE 120 -8.815 -9.231 18.714 766 HA ILE 120 HA ILE 120 -6.979 -7.928 18.710 767 HB ILE 120 HB ILE 120 -8.976 -6.307 18.070 768 HG12 ILE 120 HG12 ILE 120 -6.202 -5.284 18.719 769 HG13 ILE 120 HG13 ILE 120 -6.618 -6.242 17.303 770 HG21 ILE 120 HG21 ILE 120 -9.555 -5.617 20.322 771 HG22 ILE 120 HG22 ILE 120 -7.909 -5.048 20.590 772 HG23 ILE 120 HG23 ILE 120 -8.938 -4.239 19.409 773 HD11 ILE 120 HD13 ILE 120 -8.057 -4.462 16.502 774 HD12 ILE 120 HD11 ILE 120 -7.702 -3.507 17.941 775 HD13 ILE 120 HD12 ILE 120 -6.419 -3.866 16.779 776 H THR 121 HN THR 121 -5.521 -6.445 19.997 777 HA THR 121 HA THR 121 -6.050 -6.424 22.843 778 HB THR 121 HB THR 121 -5.063 -8.660 22.503 779 HG1 THR 121 HG1 THR 121 -3.915 -8.459 24.283 780 HG21 THR 121 HG23 THR 121 -2.690 -7.160 21.419 781 HG22 THR 121 HG21 THR 121 -3.760 -8.242 20.522 782 HG23 THR 121 HG22 THR 121 -2.718 -8.887 21.801 783 H THR 122 HN THR 122 -4.545 -5.028 23.993 784 HA THR 122 HA THR 122 -2.967 -3.328 22.182 785 HB THR 122 HB THR 122 -4.771 -2.147 24.315 786 HG1 THR 122 HG1 THR 122 -5.309 -2.990 21.744 787 HG21 THR 122 HG23 THR 122 -2.862 -0.775 23.737 788 HG22 THR 122 HG21 THR 122 -4.324 -0.053 23.079 789 HG23 THR 122 HG22 THR 122 -3.209 -0.924 22.019 790 H ILE 123 HN ILE 123 -1.156 -4.357 23.049 791 HA ILE 123 HA ILE 123 0.783 -4.147 24.211 792 HB ILE 123 HB ILE 123 -0.668 -2.117 25.903 793 HG12 ILE 123 HG12 ILE 123 1.240 -1.690 23.606 794 HG13 ILE 123 HG13 ILE 123 -0.510 -1.543 23.472 795 HG21 ILE 123 HG21 ILE 123 1.586 -1.345 26.542 796 HG22 ILE 123 HG22 ILE 123 1.254 -2.997 27.071 797 HG23 ILE 123 HG23 ILE 123 2.270 -2.713 25.659 798 HD11 ILE 123 HD13 ILE 123 -0.491 0.329 25.026 799 HD12 ILE 123 HD11 ILE 123 1.243 0.134 25.265 800 HD13 ILE 123 HD12 ILE 123 0.626 0.634 23.691 801 H ASP 124 HN ASP 124 -1.672 -3.776 26.813 802 HA ASP 124 HA ASP 124 -0.547 -6.211 28.029 803 HB2 ASP 124 HB2 ASP 124 -1.061 -3.544 29.322 804 HB3 ASP 124 HB3 ASP 124 -1.166 -5.019 30.282 805 H SER 125 HN SER 125 -2.073 -6.755 30.056 806 HA SER 125 HA SER 125 -4.329 -7.950 29.160 807 HG SER 125 HG SER 125 -2.568 -8.129 32.456 808 HB2 SER 125 HB2 SER 125 -4.179 -6.822 31.947 809 HB3 SER 125 HB3 SER 125 -4.869 -8.355 31.423 810 H SER 126 HN SER 126 -4.519 -5.116 31.276 811 HA SER 126 HA SER 126 -6.541 -3.919 29.506 812 HG SER 126 HG SER 126 -8.693 -5.463 31.178 813 HB2 SER 126 HB2 SER 126 -6.879 -3.998 32.525 814 HB3 SER 126 HB3 SER 126 -8.041 -3.494 31.305 815 H SER 127 HN SER 127 -3.744 -3.494 29.906 816 HA SER 127 HA SER 127 -2.137 -1.992 30.407 817 HG SER 127 HG SER 127 -4.192 -1.001 28.745 818 HB2 SER 127 HB2 SER 127 -4.486 -0.125 30.921 819 HB3 SER 127 HB3 SER 127 -2.798 0.373 30.798 820 H SER 128 HN SER 128 -1.525 -0.398 32.401 821 HA SER 128 HA SER 128 -2.801 -1.255 34.869 822 HG SER 128 HG SER 128 -2.032 -3.270 33.994 823 HB2 SER 128 HB2 SER 128 0.139 -1.719 34.331 824 HB3 SER 128 HB3 SER 128 -0.670 -1.951 35.882 825 HHA HEM 129 HHA HEM 129 -6.648 16.845 -6.545 826 HHB HEM 129 HHB HEM 129 -1.821 12.697 -5.608 827 HHC HEM 129 HHC HEM 129 -4.903 10.341 -0.484 828 HHD HEM 129 HHD HEM 129 -9.539 14.769 -1.165 829 HAB HEM 129 HAB HEM 129 -1.982 9.235 -0.939 830 HAC HEM 129 HAC HEM 129 -10.238 13.142 0.437 831 HMA1 HEM 129 HMA1 HEM 129 -1.975 15.397 -8.407 832 HMA2 HEM 129 HMA2 HEM 129 -1.118 14.971 -6.931 833 HMA3 HEM 129 HMA3 HEM 129 -1.768 13.706 -7.984 834 HAA1 HEM 129 HAA1 HEM 129 -4.434 17.328 -8.313 835 HAA2 HEM 129 HAA2 HEM 129 -3.672 16.106 -8.721 836 HBA1 HEM 129 HBA1 HEM 129 -4.365 14.948 -10.004 837 HBA2 HEM 129 HBA2 HEM 129 -5.374 16.361 -10.380 838 HMB1 HEM 129 HMB1 HEM 129 -0.035 11.138 -3.406 839 HMB2 HEM 129 HMB2 HEM 129 -0.805 10.089 -4.767 840 HMB3 HEM 129 HMB3 HEM 129 -0.861 9.907 -3.252 841 HBB1 HEM 129 HBB1 HEM 129 -4.111 8.104 -2.785 842 HBB2 HEM 129 HBB2 HEM 129 -2.965 7.193 -1.620 843 HMC1 HEM 129 HMC1 HEM 129 -6.242 11.503 2.210 844 HMC2 HEM 129 HMC2 HEM 129 -7.741 10.641 1.805 845 HMC3 HEM 129 HMC3 HEM 129 -6.153 10.151 1.103 846 HBC1 HEM 129 HBC1 HEM 129 -10.195 13.075 2.801 847 HBC2 HEM 129 HBC2 HEM 129 -8.377 12.729 2.824 848 HMD1 HEM 129 HMD1 HEM 129 -10.710 16.503 -1.815 849 HMD2 HEM 129 HMD2 HEM 129 -11.022 17.540 -3.350 850 HMD3 HEM 129 HMD3 HEM 129 -9.833 17.592 -2.410 851 HAD1 HEM 129 HAD1 HEM 129 -10.140 17.423 -6.033 852 HAD2 HEM 129 HAD2 HEM 129 -9.609 18.151 -4.822 853 HBD1 HEM 129 HBD1 HEM 129 -8.892 19.285 -6.992 854 HBD2 HEM 129 HBD2 HEM 129 -7.394 18.762 -6.193 Start of MODEL 13 1 HA MET 21 HA MET 21 15.924 -19.864 -10.298 2 H1 MET 21 1H MET 21 14.700 -21.146 -7.991 3 HB2 MET 21 HB2 MET 21 14.752 -22.051 -10.964 4 HB3 MET 21 HB3 MET 21 13.250 -21.264 -10.487 5 HG2 MET 21 HG2 MET 21 13.564 -19.557 -12.150 6 HG3 MET 21 HG3 MET 21 15.145 -20.215 -12.567 7 HE1 MET 21 HE3 MET 21 14.668 -23.328 -12.533 8 HE2 MET 21 HE1 MET 21 14.300 -23.594 -14.238 9 HE3 MET 21 HE2 MET 21 15.558 -22.447 -13.773 10 H ALA 22 HN ALA 22 14.059 -18.209 -11.144 11 HA ALA 22 HA ALA 22 13.667 -16.564 -8.834 12 HB1 ALA 22 HB3 ALA 22 12.929 -14.846 -10.344 13 HB2 ALA 22 HB1 ALA 22 14.361 -15.635 -11.006 14 HB3 ALA 22 HB2 ALA 22 12.765 -16.015 -11.655 15 H GLU 23 HN GLU 23 12.172 -18.295 -7.887 16 HA GLU 23 HA GLU 23 10.153 -18.804 -7.009 17 HB2 GLU 23 HB2 GLU 23 10.157 -16.394 -6.484 18 HB3 GLU 23 HB3 GLU 23 9.380 -16.059 -8.021 19 HG2 GLU 23 HG2 GLU 23 7.751 -15.961 -6.256 20 HG3 GLU 23 HG3 GLU 23 7.414 -17.352 -7.283 21 H GLN 24 HN GLN 24 8.543 -16.840 -9.377 22 HA GLN 24 HA GLN 24 8.074 -18.693 -11.383 23 HB2 GLN 24 HB2 GLN 24 6.907 -20.089 -9.800 24 HB3 GLN 24 HB3 GLN 24 5.974 -18.725 -9.199 25 HG2 GLN 24 HG2 GLN 24 4.920 -18.550 -11.458 26 HG3 GLN 24 HG3 GLN 24 5.751 -20.038 -11.901 27 HE21 GLN 24 HE21 GLN 24 3.309 -18.620 -9.863 28 HE22 GLN 24 HE22 GLN 24 2.482 -20.093 -9.483 29 H SER 25 HN SER 25 6.282 -16.355 -9.384 30 HA SER 25 HA SER 25 5.559 -14.937 -11.855 31 HG SER 25 HG SER 25 3.582 -15.157 -8.567 32 HB2 SER 25 HB2 SER 25 3.416 -14.356 -10.529 33 HB3 SER 25 HB3 SER 25 3.560 -15.971 -11.219 34 H ASP 26 HN ASP 26 7.743 -13.987 -10.838 35 HA ASP 26 HA ASP 26 8.710 -11.998 -10.295 36 HB2 ASP 26 HB2 ASP 26 6.699 -11.082 -11.516 37 HB3 ASP 26 HB3 ASP 26 5.898 -10.920 -9.959 38 H GLU 27 HN GLU 27 7.953 -10.032 -8.359 39 HA GLU 27 HA GLU 27 8.854 -11.425 -6.027 40 HB2 GLU 27 HB2 GLU 27 8.069 -8.573 -6.554 41 HB3 GLU 27 HB3 GLU 27 8.440 -9.135 -4.938 42 HG2 GLU 27 HG2 GLU 27 10.683 -9.836 -5.789 43 HG3 GLU 27 HG3 GLU 27 10.279 -9.022 -7.305 44 H ALA 28 HN ALA 28 7.801 -10.863 -3.882 45 HA ALA 28 HA ALA 28 4.910 -11.252 -4.020 46 HB1 ALA 28 HB3 ALA 28 5.064 -11.715 -1.622 47 HB2 ALA 28 HB1 ALA 28 6.183 -12.725 -2.530 48 HB3 ALA 28 HB2 ALA 28 6.781 -11.319 -1.650 49 H VAL 29 HN VAL 29 3.475 -9.730 -3.291 50 HA VAL 29 HA VAL 29 4.403 -7.032 -3.021 51 HB VAL 29 HB VAL 29 1.624 -8.078 -2.425 52 HG11 VAL 29 HG11 VAL 29 2.590 -5.329 -3.205 53 HG12 VAL 29 HG12 VAL 29 0.913 -5.799 -2.941 54 HG13 VAL 29 HG13 VAL 29 2.056 -5.821 -1.597 55 HG21 VAL 29 HG23 VAL 29 2.274 -8.750 -4.671 56 HG22 VAL 29 HG21 VAL 29 1.055 -7.476 -4.732 57 HG23 VAL 29 HG22 VAL 29 2.747 -7.092 -5.043 58 H LYS 30 HN LYS 30 5.002 -6.045 -1.193 59 HA LYS 30 HA LYS 30 5.008 -7.546 1.236 60 HB2 LYS 30 HB2 LYS 30 5.796 -4.675 0.709 61 HB3 LYS 30 HB3 LYS 30 5.938 -5.455 2.277 62 HG2 LYS 30 HG2 LYS 30 8.082 -5.518 1.282 63 HG3 LYS 30 HG3 LYS 30 7.436 -7.157 1.192 64 HD2 LYS 30 HD2 LYS 30 6.722 -6.638 -1.164 65 HD3 LYS 30 HD3 LYS 30 7.609 -5.122 -1.030 66 HE2 LYS 30 HE2 LYS 30 9.673 -6.379 -0.615 67 HE3 LYS 30 HE3 LYS 30 8.781 -7.891 -0.766 68 HZ1 LYS 30 HZ3 LYS 30 9.211 -5.857 -2.893 69 HZ2 LYS 30 HZ1 LYS 30 8.179 -7.189 -3.054 70 HZ3 LYS 30 HZ2 LYS 30 9.844 -7.427 -2.854 71 H TYR 31 HN TYR 31 3.606 -7.545 2.855 72 HA TYR 31 HA TYR 31 1.247 -5.841 2.517 73 HD1 TYR 31 HD2 TYR 31 -0.157 -7.148 0.993 74 HD2 TYR 31 HD1 TYR 31 1.869 -10.318 2.979 75 HE1 TYR 31 HE2 TYR 31 -0.344 -8.533 -1.030 76 HE2 TYR 31 HE1 TYR 31 1.683 -11.712 0.965 77 HH TYR 31 HH TYR 31 0.834 -10.465 -2.048 78 HB2 TYR 31 HB2 TYR 31 1.450 -8.374 4.146 79 HB3 TYR 31 HB3 TYR 31 -0.012 -7.510 3.687 80 H TYR 32 HN TYR 32 0.188 -4.994 4.380 81 HA TYR 32 HA TYR 32 1.863 -4.754 6.792 82 HD1 TYR 32 HD2 TYR 32 1.547 -2.861 3.384 83 HD2 TYR 32 HD1 TYR 32 3.401 -1.968 7.108 84 HE1 TYR 32 HE2 TYR 32 3.583 -2.177 2.193 85 HE2 TYR 32 HE1 TYR 32 5.452 -1.289 5.923 86 HH TYR 32 HH TYR 32 5.539 -0.923 2.467 87 HB2 TYR 32 HB2 TYR 32 0.226 -2.555 5.491 88 HB3 TYR 32 HB3 TYR 32 1.082 -2.415 7.030 89 H THR 33 HN THR 33 0.597 -4.347 8.787 90 HA THR 33 HA THR 33 -1.808 -5.957 8.620 91 HB THR 33 HB THR 33 -1.856 -5.900 11.053 92 HG1 THR 33 HG1 THR 33 0.237 -4.772 11.910 93 HG21 THR 33 HG23 THR 33 0.925 -6.362 9.975 94 HG22 THR 33 HG21 THR 33 -0.384 -7.542 10.021 95 HG23 THR 33 HG22 THR 33 0.327 -6.950 11.523 96 H LEU 34 HN LEU 34 -3.867 -5.331 9.223 97 HA LEU 34 HA LEU 34 -4.695 -2.730 8.593 98 HG LEU 34 HG LEU 34 -7.224 -2.782 10.547 99 HB2 LEU 34 HB2 LEU 34 -6.169 -4.648 8.425 100 HB3 LEU 34 HB3 LEU 34 -6.066 -4.933 10.149 101 HD11 LEU 34 HD11 LEU 34 -8.349 -1.691 8.626 102 HD12 LEU 34 HD12 LEU 34 -6.592 -1.548 8.589 103 HD13 LEU 34 HD13 LEU 34 -7.403 -2.713 7.542 104 HD21 LEU 34 HD23 LEU 34 -8.703 -4.650 8.698 105 HD22 LEU 34 HD21 LEU 34 -8.486 -4.879 10.435 106 HD23 LEU 34 HD22 LEU 34 -9.431 -3.514 9.837 107 H GLU 35 HN GLU 35 -3.562 -4.231 11.420 108 HA GLU 35 HA GLU 35 -4.528 -2.641 13.504 109 HB2 GLU 35 HB2 GLU 35 -1.791 -3.898 13.454 110 HB3 GLU 35 HB3 GLU 35 -2.830 -3.619 14.839 111 HG2 GLU 35 HG2 GLU 35 -4.335 -5.379 14.073 112 HG3 GLU 35 HG3 GLU 35 -3.310 -5.648 12.663 113 H GLU 36 HN GLU 36 -1.601 -2.437 11.549 114 HA GLU 36 HA GLU 36 -0.455 -0.447 13.271 115 HB2 GLU 36 HB2 GLU 36 1.527 -0.691 11.968 116 HB3 GLU 36 HB3 GLU 36 0.844 -2.289 12.199 117 HG2 GLU 36 HG2 GLU 36 -0.114 -2.171 9.924 118 HG3 GLU 36 HG3 GLU 36 0.690 -0.617 9.708 119 H ILE 37 HN ILE 37 -2.028 -0.517 10.182 120 HA ILE 37 HA ILE 37 -1.277 2.080 9.326 121 HB ILE 37 HB ILE 37 -3.721 0.474 8.557 122 HG12 ILE 37 HG12 ILE 37 -1.026 0.659 7.199 123 HG13 ILE 37 HG13 ILE 37 -1.541 -0.686 8.208 124 HG21 ILE 37 HG21 ILE 37 -4.003 2.775 7.922 125 HG22 ILE 37 HG22 ILE 37 -2.377 2.833 7.236 126 HG23 ILE 37 HG23 ILE 37 -3.621 1.842 6.476 127 HD11 ILE 37 HD13 ILE 37 -3.313 -1.202 6.651 128 HD12 ILE 37 HD11 ILE 37 -2.871 0.187 5.660 129 HD13 ILE 37 HD12 ILE 37 -1.757 -1.168 5.828 130 H GLN 38 HN GLN 38 -4.039 0.805 11.156 131 HA GLN 38 HA GLN 38 -5.344 3.237 11.656 132 HB2 GLN 38 HB2 GLN 38 -5.150 0.599 13.011 133 HB3 GLN 38 HB3 GLN 38 -5.715 1.948 13.986 134 HG2 GLN 38 HG2 GLN 38 -6.923 1.115 11.360 135 HG3 GLN 38 HG3 GLN 38 -7.530 0.637 12.947 136 HE21 GLN 38 HE21 GLN 38 -7.240 3.198 10.636 137 HE22 GLN 38 HE22 GLN 38 -8.306 4.308 11.429 138 H LYS 39 HN LYS 39 -2.560 1.698 13.088 139 HA LYS 39 HA LYS 39 -2.402 3.517 15.307 140 HB2 LYS 39 HB2 LYS 39 -1.736 0.963 15.031 141 HB3 LYS 39 HB3 LYS 39 -0.189 1.655 14.572 142 HG2 LYS 39 HG2 LYS 39 0.123 2.632 16.681 143 HG3 LYS 39 HG3 LYS 39 -1.568 2.403 17.129 144 HD2 LYS 39 HD2 LYS 39 0.425 0.185 16.658 145 HD3 LYS 39 HD3 LYS 39 -0.074 0.782 18.240 146 HE2 LYS 39 HE2 LYS 39 -2.381 0.133 17.762 147 HE3 LYS 39 HE3 LYS 39 -1.894 -0.448 16.174 148 HZ1 LYS 39 HZ3 LYS 39 -2.142 -2.202 17.904 149 HZ2 LYS 39 HZ1 LYS 39 -0.807 -1.540 18.712 150 HZ3 LYS 39 HZ2 LYS 39 -0.620 -2.183 17.154 151 H HIS 40 HN HIS 40 -1.716 3.948 12.168 152 HA HIS 40 HA HIS 40 0.646 5.643 12.683 153 HD1 HIS 40 HD1 HIS 40 1.429 2.078 9.826 154 HD2 HIS 40 HD2 HIS 40 2.714 4.505 12.950 155 HE1 HIS 40 HE1 HIS 40 3.339 0.844 10.894 156 HE2 HIS 40 HE2 HIS 40 4.221 2.413 12.667 157 HB2 HIS 40 HB2 HIS 40 -0.092 4.043 10.218 158 HB3 HIS 40 HB3 HIS 40 1.084 5.350 10.169 159 H ASN 41 HN ASN 41 -2.349 6.054 12.757 160 HA ASN 41 HA ASN 41 -3.071 7.600 10.431 161 HB2 ASN 41 HB2 ASN 41 -5.241 7.603 11.297 162 HB3 ASN 41 HB3 ASN 41 -4.583 6.097 11.922 163 HD21 ASN 41 HD21 ASN 41 -4.170 5.909 14.133 164 HD22 ASN 41 HD22 ASN 41 -4.789 7.045 15.285 165 H HIS 42 HN HIS 42 -1.002 8.518 12.604 166 HA HIS 42 HA HIS 42 -2.379 10.949 13.559 167 HD1 HIS 42 HD1 HIS 42 1.110 9.293 13.669 168 HD2 HIS 42 HD2 HIS 42 -0.860 7.480 16.857 169 HE1 HIS 42 HE1 HIS 42 2.532 7.318 14.301 170 HE2 HIS 42 HE2 HIS 42 1.226 6.144 16.114 171 HB2 HIS 42 HB2 HIS 42 -1.016 10.677 15.662 172 HB3 HIS 42 HB3 HIS 42 -2.235 9.435 15.413 173 H SER 43 HN SER 43 -0.961 12.722 14.144 174 HA SER 43 HA SER 43 0.514 13.976 12.476 175 HG SER 43 HG SER 43 0.355 13.544 16.176 176 HB2 SER 43 HB2 SER 43 2.097 14.676 14.382 177 HB3 SER 43 HB3 SER 43 0.363 14.930 14.593 178 H LYS 44 HN LYS 44 2.325 11.703 14.539 179 HA LYS 44 HA LYS 44 4.825 11.967 13.410 180 HB2 LYS 44 HB2 LYS 44 3.490 9.782 14.931 181 HB3 LYS 44 HB3 LYS 44 5.069 9.478 14.228 182 HG2 LYS 44 HG2 LYS 44 5.794 11.630 15.437 183 HG3 LYS 44 HG3 LYS 44 4.308 11.429 16.369 184 HD2 LYS 44 HD2 LYS 44 5.009 9.236 17.095 185 HD3 LYS 44 HD3 LYS 44 6.437 9.316 16.060 186 HE2 LYS 44 HE2 LYS 44 7.233 9.829 18.199 187 HE3 LYS 44 HE3 LYS 44 7.081 11.387 17.388 188 HZ1 LYS 44 HZ3 LYS 44 4.940 11.686 18.524 189 HZ2 LYS 44 HZ1 LYS 44 6.240 11.540 19.601 190 HZ3 LYS 44 HZ2 LYS 44 5.190 10.232 19.363 191 H SER 45 HN SER 45 2.169 10.498 11.864 192 HA SER 45 HA SER 45 3.827 9.541 9.713 193 HG SER 45 HG SER 45 4.739 8.133 11.425 194 HB2 SER 45 HB2 SER 45 2.027 7.548 11.129 195 HB3 SER 45 HB3 SER 45 3.081 7.230 9.756 196 H THR 46 HN THR 46 2.369 8.721 7.870 197 HA THR 46 HA THR 46 -0.455 9.274 8.216 198 HB THR 46 HB THR 46 1.068 10.732 6.032 199 HG1 THR 46 HG1 THR 46 0.642 11.411 8.606 200 HG21 THR 46 HG23 THR 46 -1.188 10.127 5.364 201 HG22 THR 46 HG21 THR 46 -1.091 11.865 5.653 202 HG23 THR 46 HG22 THR 46 -1.838 10.810 6.855 203 H TRP 47 HN TRP 47 -0.913 7.148 7.701 204 HA TRP 47 HA TRP 47 -0.227 6.315 4.961 205 HD1 TRP 47 HD1 TRP 47 1.907 6.510 6.064 206 HE1 TRP 47 HE1 TRP 47 4.170 5.386 6.512 207 HE3 TRP 47 HE3 TRP 47 0.260 1.823 7.246 208 HZ2 TRP 47 HZ2 TRP 47 5.121 2.851 7.271 209 HZ3 TRP 47 HZ3 TRP 47 1.919 0.102 7.818 210 HH2 TRP 47 HH2 TRP 47 4.304 0.607 7.823 211 HB2 TRP 47 HB2 TRP 47 -0.824 4.636 7.398 212 HB3 TRP 47 HB3 TRP 47 -0.759 3.983 5.767 213 H LEU 48 HN LEU 48 -1.917 5.197 3.760 214 HA LEU 48 HA LEU 48 -4.556 5.184 4.959 215 HG LEU 48 HG LEU 48 -3.890 5.790 1.432 216 HB2 LEU 48 HB2 LEU 48 -5.680 6.426 3.267 217 HB3 LEU 48 HB3 LEU 48 -4.378 7.429 3.879 218 HD11 LEU 48 HD11 LEU 48 -5.354 8.425 1.455 219 HD12 LEU 48 HD12 LEU 48 -4.751 7.587 0.026 220 HD13 LEU 48 HD13 LEU 48 -6.033 6.861 0.996 221 HD21 LEU 48 HD23 LEU 48 -2.072 7.038 2.514 222 HD22 LEU 48 HD21 LEU 48 -2.412 7.627 0.887 223 HD23 LEU 48 HD22 LEU 48 -2.981 8.533 2.287 224 H ILE 49 HN ILE 49 -6.179 4.299 3.293 225 HA ILE 49 HA ILE 49 -4.940 2.417 1.402 226 HB ILE 49 HB ILE 49 -7.234 1.701 3.254 227 HG12 ILE 49 HG12 ILE 49 -4.427 0.606 3.392 228 HG13 ILE 49 HG13 ILE 49 -4.972 1.953 4.389 229 HG21 ILE 49 HG21 ILE 49 -7.336 0.469 1.182 230 HG22 ILE 49 HG22 ILE 49 -5.627 0.044 1.310 231 HG23 ILE 49 HG23 ILE 49 -6.788 -0.607 2.467 232 HD11 ILE 49 HD13 ILE 49 -5.086 -0.155 5.591 233 HD12 ILE 49 HD11 ILE 49 -6.693 0.541 5.364 234 HD13 ILE 49 HD12 ILE 49 -6.165 -0.807 4.356 235 H LEU 50 HN LEU 50 -5.907 2.610 -0.550 236 HA LEU 50 HA LEU 50 -8.326 4.193 -0.711 237 HG LEU 50 HG LEU 50 -5.844 5.475 -1.773 238 HB2 LEU 50 HB2 LEU 50 -6.294 3.302 -2.699 239 HB3 LEU 50 HB3 LEU 50 -7.876 3.807 -3.262 240 HD11 LEU 50 HD11 LEU 50 -7.157 5.954 -4.439 241 HD12 LEU 50 HD12 LEU 50 -5.814 6.843 -3.719 242 HD13 LEU 50 HD13 LEU 50 -5.587 5.174 -4.246 243 HD21 LEU 50 HD23 LEU 50 -8.023 5.975 -0.852 244 HD22 LEU 50 HD21 LEU 50 -7.509 7.298 -1.897 245 HD23 LEU 50 HD22 LEU 50 -8.705 6.131 -2.470 246 H HIS 51 HN HIS 51 -7.317 1.235 -2.309 247 HA HIS 51 HA HIS 51 -10.046 0.210 -1.939 248 HD1 HIS 51 HD1 HIS 51 -11.321 -0.296 -5.843 249 HD2 HIS 51 HD2 HIS 51 -9.884 2.830 -3.513 250 HE1 HIS 51 HE1 HIS 51 -12.759 1.682 -6.401 251 HE2 HIS 51 HE2 HIS 51 -12.044 3.467 -4.775 252 HB2 HIS 51 HB2 HIS 51 -8.324 0.115 -4.407 253 HB3 HIS 51 HB3 HIS 51 -9.614 -1.055 -4.158 254 H HIS 52 HN HIS 52 -6.658 -0.749 -2.490 255 HA HIS 52 HA HIS 52 -6.850 -2.550 -0.305 256 HD1 HIS 52 HD1 HIS 52 -4.919 -5.080 -3.769 257 HD2 HIS 52 HD2 HIS 52 -8.215 -2.583 -4.144 258 HE1 HIS 52 HE1 HIS 52 -5.264 -4.787 -6.249 259 HE2 HIS 52 HE2 HIS 52 -7.426 -3.496 -6.453 260 HB2 HIS 52 HB2 HIS 52 -5.984 -4.568 -1.611 261 HB3 HIS 52 HB3 HIS 52 -7.700 -4.198 -1.714 262 H LYS 53 HN LYS 53 -5.089 -0.754 -2.557 263 HA LYS 53 HA LYS 53 -2.490 -1.618 -1.634 264 HB2 LYS 53 HB2 LYS 53 -3.411 0.528 -3.529 265 HB3 LYS 53 HB3 LYS 53 -1.744 0.441 -2.986 266 HG2 LYS 53 HG2 LYS 53 -3.092 -1.913 -4.253 267 HG3 LYS 53 HG3 LYS 53 -2.351 -0.639 -5.216 268 HD2 LYS 53 HD2 LYS 53 -0.273 -1.031 -3.747 269 HD3 LYS 53 HD3 LYS 53 -1.055 -2.548 -3.305 270 HE2 LYS 53 HE2 LYS 53 -0.508 -1.710 -6.148 271 HE3 LYS 53 HE3 LYS 53 0.596 -2.696 -5.194 272 HZ1 LYS 53 HZ3 LYS 53 -2.162 -3.405 -6.041 273 HZ2 LYS 53 HZ1 LYS 53 -1.246 -4.330 -4.950 274 HZ3 LYS 53 HZ2 LYS 53 -0.713 -4.118 -6.546 275 H VAL 54 HN VAL 54 -1.393 -0.746 0.039 276 HA VAL 54 HA VAL 54 -2.611 1.455 1.525 277 HB VAL 54 HB VAL 54 -1.787 -0.503 2.776 278 HG11 VAL 54 HG11 VAL 54 0.040 -1.222 1.402 279 HG12 VAL 54 HG12 VAL 54 0.920 0.271 1.730 280 HG13 VAL 54 HG13 VAL 54 0.634 -0.884 3.030 281 HG21 VAL 54 HG23 VAL 54 -0.434 0.694 4.463 282 HG22 VAL 54 HG21 VAL 54 -0.245 2.028 3.322 283 HG23 VAL 54 HG22 VAL 54 -1.846 1.614 3.938 284 H TYR 55 HN TYR 55 -1.596 3.471 1.812 285 HA TYR 55 HA TYR 55 0.752 3.935 0.091 286 HD1 TYR 55 HD2 TYR 55 -2.902 3.858 -0.397 287 HD2 TYR 55 HD1 TYR 55 0.004 6.093 -2.559 288 HE1 TYR 55 HE2 TYR 55 -3.917 3.118 -2.514 289 HE2 TYR 55 HE1 TYR 55 -1.001 5.363 -4.679 290 HH TYR 55 HH TYR 55 -4.035 3.723 -4.817 291 HB2 TYR 55 HB2 TYR 55 -1.533 5.850 0.610 292 HB3 TYR 55 HB3 TYR 55 -0.051 6.259 -0.241 293 H ASP 56 HN ASP 56 2.273 5.447 0.801 294 HA ASP 56 HA ASP 56 1.891 6.464 3.542 295 HB2 ASP 56 HB2 ASP 56 3.767 4.993 3.627 296 HB3 ASP 56 HB3 ASP 56 4.433 5.629 2.130 297 H LEU 57 HN LEU 57 1.696 8.639 3.678 298 HA LEU 57 HA LEU 57 2.602 10.171 1.344 299 HG LEU 57 HG LEU 57 -0.352 9.381 2.429 300 HB2 LEU 57 HB2 LEU 57 0.870 11.197 3.588 301 HB3 LEU 57 HB3 LEU 57 1.173 11.953 2.041 302 HD11 LEU 57 HD11 LEU 57 -1.288 12.178 1.816 303 HD12 LEU 57 HD12 LEU 57 -2.299 10.735 1.775 304 HD13 LEU 57 HD13 LEU 57 -1.586 11.269 3.295 305 HD21 LEU 57 HD23 LEU 57 0.843 9.499 0.293 306 HD22 LEU 57 HD21 LEU 57 -0.905 9.607 0.070 307 HD23 LEU 57 HD22 LEU 57 0.090 11.061 -0.038 308 H THR 58 HN THR 58 2.363 10.777 4.811 309 HA THR 58 HA THR 58 3.675 11.789 6.319 310 HB THR 58 HB THR 58 5.873 10.491 4.719 311 HG1 THR 58 HG1 THR 58 4.993 8.703 5.479 312 HG21 THR 58 HG23 THR 58 5.782 11.448 7.581 313 HG22 THR 58 HG21 THR 58 6.803 12.083 6.290 314 HG23 THR 58 HG22 THR 58 7.063 10.446 6.898 315 H LYS 59 HN LYS 59 5.866 12.184 3.513 316 HA LYS 59 HA LYS 59 6.300 14.945 4.226 317 HB2 LYS 59 HB2 LYS 59 7.472 13.004 2.323 318 HB3 LYS 59 HB3 LYS 59 7.545 14.693 1.836 319 HG2 LYS 59 HG2 LYS 59 8.607 13.555 4.418 320 HG3 LYS 59 HG3 LYS 59 9.567 14.027 3.014 321 HD2 LYS 59 HD2 LYS 59 7.787 15.908 4.574 322 HD3 LYS 59 HD3 LYS 59 9.532 15.756 4.815 323 HE2 LYS 59 HE2 LYS 59 9.950 16.449 2.551 324 HE3 LYS 59 HE3 LYS 59 8.224 16.454 2.198 325 HZ1 LYS 59 HZ3 LYS 59 9.497 18.225 4.211 326 HZ2 LYS 59 HZ1 LYS 59 7.900 18.300 3.647 327 HZ3 LYS 59 HZ2 LYS 59 9.183 18.680 2.613 328 H PHE 60 HN PHE 60 4.427 13.130 1.996 329 HA PHE 60 HA PHE 60 3.993 14.933 -0.099 330 HD1 PHE 60 HD2 PHE 60 3.397 13.999 -2.364 331 HD2 PHE 60 HD1 PHE 60 0.076 12.975 0.094 332 HE1 PHE 60 HE2 PHE 60 1.874 14.409 -4.254 333 HE2 PHE 60 HE1 PHE 60 -1.450 13.374 -1.791 334 HZ PHE 60 HZ PHE 60 -0.552 14.093 -3.966 335 HB2 PHE 60 HB2 PHE 60 3.518 12.507 -0.184 336 HB3 PHE 60 HB3 PHE 60 2.183 12.749 0.932 337 H LEU 61 HN LEU 61 2.850 14.991 3.048 338 HA LEU 61 HA LEU 61 0.212 15.702 2.908 339 HG LEU 61 HG LEU 61 2.207 14.225 4.896 340 HB2 LEU 61 HB2 LEU 61 2.284 16.663 4.885 341 HB3 LEU 61 HB3 LEU 61 0.547 16.745 5.122 342 HD11 LEU 61 HD11 LEU 61 2.419 15.309 7.057 343 HD12 LEU 61 HD12 LEU 61 0.664 15.381 7.213 344 HD13 LEU 61 HD13 LEU 61 1.483 13.820 7.190 345 HD21 LEU 61 HD23 LEU 61 0.129 13.026 5.315 346 HD22 LEU 61 HD21 LEU 61 -0.766 14.545 5.235 347 HD23 LEU 61 HD22 LEU 61 0.063 13.931 3.804 348 H GLU 62 HN GLU 62 3.012 17.708 2.329 349 HA GLU 62 HA GLU 62 1.527 20.187 2.670 350 HB2 GLU 62 HB2 GLU 62 3.750 21.247 2.301 351 HB3 GLU 62 HB3 GLU 62 3.731 20.095 3.631 352 HG2 GLU 62 HG2 GLU 62 4.712 18.404 2.111 353 HG3 GLU 62 HG3 GLU 62 4.842 19.649 0.870 354 H GLU 63 HN GLU 63 2.530 18.143 0.160 355 HA GLU 63 HA GLU 63 2.672 20.158 -1.928 356 HB2 GLU 63 HB2 GLU 63 3.465 17.361 -1.503 357 HB3 GLU 63 HB3 GLU 63 2.889 17.691 -3.127 358 HG2 GLU 63 HG2 GLU 63 5.047 19.275 -1.764 359 HG3 GLU 63 HG3 GLU 63 5.349 17.876 -2.796 360 H HIS 64 HN HIS 64 0.409 17.994 -0.570 361 HA HIS 64 HA HIS 64 -1.157 17.616 -2.906 362 HD1 HIS 64 HD1 HIS 64 -4.314 16.873 0.188 363 HD2 HIS 64 HD2 HIS 64 -2.768 14.906 -3.188 364 HE1 HIS 64 HE1 HIS 64 -6.210 15.465 -0.774 365 HB2 HIS 64 HB3 HIS 64 -1.021 15.987 -1.060 366 HB3 HIS 64 HB2 HIS 64 -1.818 17.095 0.007 367 HA PRO 65 HA PRO 65 -3.275 21.547 -2.984 368 HB2 PRO 65 HB2 PRO 65 -5.755 20.674 -3.896 369 HB3 PRO 65 HB3 PRO 65 -4.370 21.079 -4.909 370 HG2 PRO 65 HG2 PRO 65 -5.327 18.408 -3.979 371 HG3 PRO 65 HG3 PRO 65 -4.636 18.873 -5.545 372 HD2 PRO 65 HD2 PRO 65 -3.192 17.543 -3.720 373 HD3 PRO 65 HD3 PRO 65 -2.453 18.796 -4.740 374 H GLY 66 HN GLY 66 -5.054 18.849 -1.547 375 HA2 GLY 66 HA1 GLY 66 -6.083 20.737 0.482 376 HA3 GLY 66 HA2 GLY 66 -6.896 19.234 0.035 377 H GLY 67 HN GLY 67 -3.886 20.502 1.434 378 HA2 GLY 67 HA1 GLY 67 -3.067 17.766 2.005 379 HA3 GLY 67 HA2 GLY 67 -2.039 19.182 2.038 380 H GLU 68 HN GLU 68 -1.709 17.444 3.896 381 HA GLU 68 HA GLU 68 -1.494 17.024 6.074 382 HB2 GLU 68 HB2 GLU 68 -0.566 19.310 6.016 383 HB3 GLU 68 HB3 GLU 68 -2.149 19.955 6.424 384 HG2 GLU 68 HG2 GLU 68 -2.100 18.767 8.551 385 HG3 GLU 68 HG3 GLU 68 -0.538 18.071 8.132 386 H GLU 69 HN GLU 69 -3.993 19.474 6.545 387 HA GLU 69 HA GLU 69 -5.141 18.127 8.692 388 HB2 GLU 69 HB2 GLU 69 -6.949 19.745 8.582 389 HB3 GLU 69 HB3 GLU 69 -5.403 20.536 8.333 390 HG2 GLU 69 HG2 GLU 69 -5.848 20.597 5.911 391 HG3 GLU 69 HG3 GLU 69 -7.406 19.826 6.195 392 H VAL 70 HN VAL 70 -6.052 18.145 5.308 393 HA VAL 70 HA VAL 70 -8.639 17.019 5.697 394 HB VAL 70 HB VAL 70 -7.047 17.228 3.140 395 HG11 VAL 70 HG11 VAL 70 -10.031 17.096 3.541 396 HG12 VAL 70 HG12 VAL 70 -9.171 17.139 2.003 397 HG13 VAL 70 HG13 VAL 70 -9.020 15.734 3.062 398 HG21 VAL 70 HG23 VAL 70 -8.181 19.345 2.759 399 HG22 VAL 70 HG21 VAL 70 -8.975 19.220 4.329 400 HG23 VAL 70 HG22 VAL 70 -7.222 19.407 4.237 401 H LEU 71 HN LEU 71 -5.489 15.688 5.184 402 HA LEU 71 HA LEU 71 -6.302 13.190 4.078 403 HG LEU 71 HG LEU 71 -2.679 13.642 3.273 404 HB2 LEU 71 HB2 LEU 71 -3.762 14.049 5.455 405 HB3 LEU 71 HB3 LEU 71 -4.004 12.431 4.838 406 HD11 LEU 71 HD11 LEU 71 -5.492 13.466 2.205 407 HD12 LEU 71 HD12 LEU 71 -4.009 13.465 1.254 408 HD13 LEU 71 HD13 LEU 71 -4.361 12.119 2.342 409 HD21 LEU 71 HD23 LEU 71 -4.863 15.712 3.198 410 HD22 LEU 71 HD21 LEU 71 -3.278 15.903 3.943 411 HD23 LEU 71 HD22 LEU 71 -3.411 15.692 2.197 412 H ARG 72 HN ARG 72 -6.013 14.440 7.283 413 HA ARG 72 HA ARG 72 -5.406 12.106 8.672 414 HE ARG 72 HE ARG 72 -4.866 13.529 12.169 415 HB2 ARG 72 HB2 ARG 72 -6.802 14.619 9.571 416 HB3 ARG 72 HB3 ARG 72 -6.283 13.342 10.668 417 HG2 ARG 72 HG2 ARG 72 -3.953 13.661 9.782 418 HG3 ARG 72 HG3 ARG 72 -4.551 15.087 8.932 419 HD2 ARG 72 HD2 ARG 72 -3.484 15.634 11.090 420 HD3 ARG 72 HD3 ARG 72 -5.177 16.126 11.017 421 HH11 ARG 72 HH12 ARG 72 -4.642 16.963 12.834 422 HH12 ARG 72 HH11 ARG 72 -4.948 16.786 14.533 423 HH21 ARG 72 HH22 ARG 72 -5.222 13.288 14.403 424 HH22 ARG 72 HH21 ARG 72 -5.252 14.686 15.427 425 H GLU 73 HN GLU 73 -8.432 13.383 7.585 426 HA GLU 73 HA GLU 73 -10.244 12.225 9.350 427 HB2 GLU 73 HB2 GLU 73 -10.843 14.028 7.823 428 HB3 GLU 73 HB3 GLU 73 -10.602 12.967 6.437 429 HG2 GLU 73 HG2 GLU 73 -12.443 11.527 7.329 430 HG3 GLU 73 HG3 GLU 73 -12.737 12.757 8.552 431 H GLN 74 HN GLN 74 -8.578 10.853 6.658 432 HA GLN 74 HA GLN 74 -10.264 8.440 6.766 433 HB2 GLN 74 HB2 GLN 74 -9.060 9.820 4.360 434 HB3 GLN 74 HB3 GLN 74 -9.895 8.269 4.312 435 HG2 GLN 74 HG2 GLN 74 -11.213 10.750 5.368 436 HG3 GLN 74 HG3 GLN 74 -11.213 10.349 3.651 437 HE21 GLN 74 HE21 GLN 74 -12.384 8.603 2.934 438 HE22 GLN 74 HE22 GLN 74 -13.584 7.819 3.894 439 H ALA 75 HN ALA 75 -7.237 9.723 7.206 440 HA ALA 75 HA ALA 75 -5.604 7.621 6.155 441 HB1 ALA 75 HB3 ALA 75 -4.979 9.790 8.152 442 HB2 ALA 75 HB1 ALA 75 -3.793 8.727 7.398 443 HB3 ALA 75 HB2 ALA 75 -4.710 9.866 6.412 444 H GLY 76 HN GLY 76 -5.142 5.739 7.066 445 HA2 GLY 76 HA1 GLY 76 -4.551 4.582 9.207 446 HA3 GLY 76 HA2 GLY 76 -6.018 5.316 9.853 447 H GLY 77 HN GLY 77 -7.141 4.854 7.021 448 HA2 GLY 77 HA1 GLY 77 -7.210 1.996 6.731 449 HA3 GLY 77 HA2 GLY 77 -8.715 2.662 7.369 450 H ASP 78 HN ASP 78 -9.988 2.250 5.591 451 HA ASP 78 HA ASP 78 -9.121 2.903 2.960 452 HB2 ASP 78 HB2 ASP 78 -11.469 2.411 2.285 453 HB3 ASP 78 HB3 ASP 78 -10.692 1.114 3.182 454 H ALA 79 HN ALA 79 -9.677 4.585 1.618 455 HA ALA 79 HA ALA 79 -11.009 6.885 2.890 456 HB1 ALA 79 HB3 ALA 79 -9.287 8.359 1.909 457 HB2 ALA 79 HB1 ALA 79 -8.628 7.229 3.091 458 HB3 ALA 79 HB2 ALA 79 -8.408 6.929 1.367 459 H THR 80 HN THR 80 -11.380 4.787 0.508 460 HA THR 80 HA THR 80 -11.375 6.268 -1.877 461 HB THR 80 HB THR 80 -11.410 3.773 -1.737 462 HG1 THR 80 HG1 THR 80 -13.588 4.614 -3.355 463 HG21 THR 80 HG23 THR 80 -13.241 3.577 -0.086 464 HG22 THR 80 HG21 THR 80 -13.533 2.618 -1.539 465 HG23 THR 80 HG22 THR 80 -14.376 4.147 -1.310 466 H GLU 81 HN GLU 81 -13.550 6.478 0.726 467 HA GLU 81 HA GLU 81 -16.005 7.036 -0.384 468 HB2 GLU 81 HB2 GLU 81 -14.723 8.595 1.865 469 HB3 GLU 81 HB3 GLU 81 -16.444 8.428 1.553 470 HG2 GLU 81 HG2 GLU 81 -14.547 6.259 2.412 471 HG3 GLU 81 HG3 GLU 81 -15.813 7.008 3.379 472 H ASN 82 HN ASN 82 -13.413 9.355 0.269 473 HA ASN 82 HA ASN 82 -14.676 11.653 -0.765 474 HB2 ASN 82 HB2 ASN 82 -11.693 11.195 -0.602 475 HB3 ASN 82 HB3 ASN 82 -12.554 12.728 -0.501 476 HD21 ASN 82 HD21 ASN 82 -13.618 13.272 1.400 477 HD22 ASN 82 HD22 ASN 82 -13.262 12.477 2.899 478 H PHE 83 HN PHE 83 -12.724 9.180 -2.102 479 HA PHE 83 HA PHE 83 -11.795 10.322 -4.484 480 HD1 PHE 83 HD2 PHE 83 -12.768 7.395 -6.500 481 HD2 PHE 83 HD1 PHE 83 -9.061 8.158 -4.553 482 HE1 PHE 83 HE2 PHE 83 -11.569 6.831 -8.570 483 HE2 PHE 83 HE1 PHE 83 -7.859 7.606 -6.629 484 HZ PHE 83 HZ PHE 83 -9.056 6.756 -8.548 485 HB2 PHE 83 HB2 PHE 83 -11.030 8.203 -3.324 486 HB3 PHE 83 HB3 PHE 83 -12.472 7.419 -3.937 487 H GLU 84 HN GLU 84 -14.790 8.895 -3.532 488 HA GLU 84 HA GLU 84 -15.783 8.740 -6.289 489 HB2 GLU 84 HB2 GLU 84 -16.689 7.443 -3.709 490 HB3 GLU 84 HB3 GLU 84 -17.503 7.244 -5.256 491 HG2 GLU 84 HG2 GLU 84 -15.603 6.155 -6.200 492 HG3 GLU 84 HG3 GLU 84 -14.619 6.529 -4.790 493 H ASP 85 HN ASP 85 -15.891 10.623 -3.557 494 HA ASP 85 HA ASP 85 -18.679 11.461 -3.785 495 HB2 ASP 85 HB2 ASP 85 -17.862 10.991 -1.555 496 HB3 ASP 85 HB3 ASP 85 -16.518 12.106 -1.772 497 H VAL 86 HN VAL 86 -15.552 13.148 -3.414 498 HA VAL 86 HA VAL 86 -16.722 15.460 -4.748 499 HB VAL 86 HB VAL 86 -14.006 15.130 -3.457 500 HG11 VAL 86 HG11 VAL 86 -13.960 16.809 -5.233 501 HG12 VAL 86 HG12 VAL 86 -15.353 17.617 -4.511 502 HG13 VAL 86 HG13 VAL 86 -13.817 17.558 -3.644 503 HG21 VAL 86 HG23 VAL 86 -14.912 16.537 -1.685 504 HG22 VAL 86 HG21 VAL 86 -16.475 16.574 -2.506 505 HG23 VAL 86 HG22 VAL 86 -15.855 15.057 -1.862 506 H GLY 87 HN GLY 87 -14.391 12.936 -5.260 507 HA2 GLY 87 HA1 GLY 87 -14.163 12.195 -7.577 508 HA3 GLY 87 HA2 GLY 87 -14.077 13.889 -8.034 509 H HIS 88 HN HIS 88 -12.242 11.598 -8.446 510 HA HIS 88 HA HIS 88 -9.821 13.011 -7.642 511 HD1 HIS 88 HD1 HIS 88 -7.412 9.526 -6.508 512 HD2 HIS 88 HD2 HIS 88 -8.860 13.220 -5.226 513 HE1 HIS 88 HE1 HIS 88 -5.641 10.496 -4.976 514 HB2 HIS 88 HB2 HIS 88 -10.593 10.810 -6.230 515 HB3 HIS 88 HB3 HIS 88 -9.638 10.056 -7.498 516 H SER 89 HN SER 89 -8.994 13.524 -9.641 517 HA SER 89 HA SER 89 -10.051 12.130 -11.896 518 HG SER 89 HG SER 89 -7.799 15.466 -11.819 519 HB2 SER 89 HB2 SER 89 -8.466 13.862 -13.091 520 HB3 SER 89 HB3 SER 89 -9.966 14.368 -12.315 521 H THR 90 HN THR 90 -8.416 11.917 -13.856 522 HA THR 90 HA THR 90 -7.258 9.446 -13.495 523 HB THR 90 HB THR 90 -5.995 10.888 -15.655 524 HG1 THR 90 HG1 THR 90 -8.377 11.121 -16.543 525 HG21 THR 90 HG23 THR 90 -6.369 8.491 -15.684 526 HG22 THR 90 HG21 THR 90 -7.281 9.243 -16.994 527 HG23 THR 90 HG22 THR 90 -8.106 8.733 -15.522 528 H ASP 91 HN ASP 91 -5.656 12.606 -13.463 529 HA ASP 91 HA ASP 91 -3.017 11.931 -13.689 530 HB2 ASP 91 HB2 ASP 91 -3.812 14.228 -13.547 531 HB3 ASP 91 HB3 ASP 91 -4.222 14.002 -11.850 532 H ALA 92 HN ALA 92 -4.935 11.904 -10.720 533 HA ALA 92 HA ALA 92 -2.723 11.315 -9.014 534 HB1 ALA 92 HB3 ALA 92 -4.675 12.580 -8.249 535 HB2 ALA 92 HB1 ALA 92 -5.682 11.145 -8.457 536 HB3 ALA 92 HB2 ALA 92 -4.393 11.151 -7.251 537 H ARG 93 HN ARG 93 -4.058 9.388 -11.223 538 HA ARG 93 HA ARG 93 -3.930 6.954 -9.576 539 HE ARG 93 HE ARG 93 -8.617 8.601 -10.761 540 HB2 ARG 93 HB2 ARG 93 -4.883 7.319 -12.424 541 HB3 ARG 93 HB3 ARG 93 -5.069 5.873 -11.437 542 HG2 ARG 93 HG2 ARG 93 -6.609 6.956 -9.987 543 HG3 ARG 93 HG3 ARG 93 -6.265 8.530 -10.703 544 HD2 ARG 93 HD2 ARG 93 -7.140 7.597 -12.872 545 HD3 ARG 93 HD3 ARG 93 -7.698 6.198 -11.951 546 HH11 ARG 93 HH12 ARG 93 -9.188 6.508 -13.496 547 HH12 ARG 93 HH11 ARG 93 -10.854 6.981 -13.671 548 HH21 ARG 93 HH22 ARG 93 -10.806 9.220 -10.962 549 HH22 ARG 93 HH21 ARG 93 -11.782 8.509 -12.217 550 H GLU 94 HN GLU 94 -2.140 8.872 -11.614 551 HA GLU 94 HA GLU 94 -0.368 6.673 -12.495 552 HB2 GLU 94 HB2 GLU 94 -1.764 8.107 -14.184 553 HB3 GLU 94 HB3 GLU 94 -0.584 9.360 -13.841 554 HG2 GLU 94 HG2 GLU 94 1.194 8.004 -14.674 555 HG3 GLU 94 HG3 GLU 94 0.120 6.610 -14.822 556 H MET 95 HN MET 95 -0.800 9.607 -10.866 557 HA MET 95 HA MET 95 1.979 10.356 -10.595 558 HB2 MET 95 HB2 MET 95 0.266 12.056 -10.795 559 HB3 MET 95 HB3 MET 95 -0.613 11.390 -9.436 560 HG2 MET 95 HG2 MET 95 0.453 13.376 -8.728 561 HG3 MET 95 HG3 MET 95 1.273 12.021 -7.963 562 HE1 MET 95 HE3 MET 95 3.247 13.782 -7.312 563 HE2 MET 95 HE1 MET 95 4.010 14.826 -8.510 564 HE3 MET 95 HE2 MET 95 2.301 15.025 -8.127 565 H SER 96 HN SER 96 -0.309 8.395 -8.906 566 HA SER 96 HA SER 96 0.725 9.041 -6.293 567 HG SER 96 HG SER 96 -2.632 7.272 -7.511 568 HB2 SER 96 HB2 SER 96 -1.087 7.511 -5.481 569 HB3 SER 96 HB3 SER 96 -1.657 8.839 -6.491 570 H LYS 97 HN LYS 97 1.867 7.214 -8.627 571 HA LYS 97 HA LYS 97 1.854 4.520 -7.892 572 HB2 LYS 97 HB2 LYS 97 3.786 6.067 -9.612 573 HB3 LYS 97 HB3 LYS 97 3.687 4.312 -9.557 574 HG2 LYS 97 HG2 LYS 97 1.317 6.001 -10.259 575 HG3 LYS 97 HG3 LYS 97 2.519 5.537 -11.462 576 HD2 LYS 97 HD2 LYS 97 1.148 3.509 -9.717 577 HD3 LYS 97 HD3 LYS 97 0.447 4.065 -11.238 578 HE2 LYS 97 HE2 LYS 97 2.471 3.365 -12.418 579 HE3 LYS 97 HE3 LYS 97 3.154 2.781 -10.901 580 HZ1 LYS 97 HZ3 LYS 97 1.321 1.208 -10.732 581 HZ2 LYS 97 HZ1 LYS 97 2.190 0.981 -12.170 582 HZ3 LYS 97 HZ2 LYS 97 0.688 1.763 -12.204 583 H THR 98 HN THR 98 4.002 7.059 -6.967 584 HA THR 98 HA THR 98 6.087 5.226 -6.085 585 HB THR 98 HB THR 98 7.236 7.462 -5.525 586 HG1 THR 98 HG1 THR 98 6.042 9.168 -5.813 587 HG21 THR 98 HG23 THR 98 6.532 6.754 -8.374 588 HG22 THR 98 HG21 THR 98 7.969 6.271 -7.473 589 HG23 THR 98 HG22 THR 98 7.741 7.959 -7.932 590 H PHE 99 HN PHE 99 3.286 6.333 -4.808 591 HA PHE 99 HA PHE 99 4.395 6.733 -2.115 592 HD1 PHE 99 HD1 PHE 99 4.298 9.173 -1.512 593 HD2 PHE 99 HD2 PHE 99 1.566 8.839 -4.753 594 HE1 PHE 99 HE1 PHE 99 5.082 11.330 -2.384 595 HE2 PHE 99 HE2 PHE 99 2.342 11.003 -5.636 596 HZ PHE 99 HZ PHE 99 4.109 12.250 -4.452 597 HB2 PHE 99 HB2 PHE 99 1.555 7.223 -3.064 598 HB3 PHE 99 HB3 PHE 99 2.231 7.645 -1.490 599 H ILE 100 HN ILE 100 3.094 4.386 -4.065 600 HA ILE 100 HA ILE 100 1.479 2.992 -2.155 601 HB ILE 100 HB ILE 100 2.660 1.989 -4.753 602 HG12 ILE 100 HG12 ILE 100 -0.064 3.148 -4.137 603 HG13 ILE 100 HG13 ILE 100 1.209 3.959 -5.035 604 HG21 ILE 100 HG21 ILE 100 2.001 0.191 -3.226 605 HG22 ILE 100 HG22 ILE 100 0.400 0.907 -3.069 606 HG23 ILE 100 HG23 ILE 100 0.929 0.265 -4.623 607 HD11 ILE 100 HD13 ILE 100 1.050 2.284 -6.789 608 HD12 ILE 100 HD11 ILE 100 -0.206 1.443 -5.880 609 HD13 ILE 100 HD12 ILE 100 -0.505 3.063 -6.505 610 H ILE 101 HN ILE 101 2.491 2.160 -0.394 611 HA ILE 101 HA ILE 101 5.237 1.250 -0.606 612 HB ILE 101 HB ILE 101 4.995 0.837 1.878 613 HG12 ILE 101 HG12 ILE 101 2.406 2.355 1.476 614 HG13 ILE 101 HG13 ILE 101 2.523 0.647 1.898 615 HG21 ILE 101 HG21 ILE 101 6.102 2.803 1.071 616 HG22 ILE 101 HG22 ILE 101 4.563 3.603 0.761 617 HG23 ILE 101 HG23 ILE 101 5.062 3.267 2.417 618 HD11 ILE 101 HD13 ILE 101 3.563 2.922 3.577 619 HD12 ILE 101 HD11 ILE 101 2.031 2.087 3.829 620 HD13 ILE 101 HD12 ILE 101 3.550 1.212 4.009 621 H GLY 102 HN GLY 102 2.091 -0.129 -0.648 622 HA2 GLY 102 HA1 GLY 102 2.851 -2.595 -1.550 623 HA3 GLY 102 HA2 GLY 102 2.903 -2.753 0.199 624 H GLU 103 HN GLU 103 1.200 -4.280 0.171 625 HA GLU 103 HA GLU 103 -1.407 -2.953 -0.092 626 HB2 GLU 103 HB2 GLU 103 -0.671 -5.728 -0.978 627 HB3 GLU 103 HB3 GLU 103 -2.328 -5.325 -0.537 628 HG2 GLU 103 HG2 GLU 103 -2.226 -3.462 -2.184 629 HG3 GLU 103 HG3 GLU 103 -0.666 -4.090 -2.707 630 H LEU 104 HN LEU 104 -3.057 -4.705 1.026 631 HA LEU 104 HA LEU 104 -2.332 -4.451 3.794 632 HG LEU 104 HG LEU 104 -5.890 -4.085 4.411 633 HB2 LEU 104 HB2 LEU 104 -4.688 -4.409 2.359 634 HB3 LEU 104 HB3 LEU 104 -4.764 -5.933 3.224 635 HD11 LEU 104 HD11 LEU 104 -4.810 -4.396 6.605 636 HD12 LEU 104 HD12 LEU 104 -5.065 -5.913 5.745 637 HD13 LEU 104 HD13 LEU 104 -3.457 -5.193 5.805 638 HD21 LEU 104 HD23 LEU 104 -3.123 -2.910 4.564 639 HD22 LEU 104 HD21 LEU 104 -4.495 -2.260 3.664 640 HD23 LEU 104 HD22 LEU 104 -4.540 -2.319 5.427 641 H HIS 105 HN HIS 105 -2.142 -6.115 5.304 642 HA HIS 105 HA HIS 105 -1.216 -8.660 4.660 643 HD1 HIS 105 HD1 HIS 105 -2.741 -10.304 8.337 644 HD2 HIS 105 HD2 HIS 105 0.853 -9.199 6.549 645 HE1 HIS 105 HE1 HIS 105 -1.044 -11.998 9.105 646 HE2 HIS 105 HE2 HIS 105 1.157 -11.148 8.225 647 HB2 HIS 105 HB2 HIS 105 -1.464 -7.310 6.934 648 HB3 HIS 105 HB3 HIS 105 -2.959 -8.224 7.061 649 HA PRO 106 HA PRO 106 -4.609 -10.926 2.964 650 HB2 PRO 106 HB2 PRO 106 -3.961 -13.083 4.919 651 HB3 PRO 106 HB3 PRO 106 -4.101 -13.159 3.160 652 HG2 PRO 106 HG2 PRO 106 -1.715 -13.186 4.278 653 HG3 PRO 106 HG3 PRO 106 -2.003 -12.207 2.824 654 HD2 PRO 106 HD2 PRO 106 -1.836 -11.339 5.689 655 HD3 PRO 106 HD3 PRO 106 -1.144 -10.577 4.240 656 H ASP 107 HN ASP 107 -4.988 -9.553 5.804 657 HA ASP 107 HA ASP 107 -7.122 -11.149 6.963 658 HB2 ASP 107 HB2 ASP 107 -6.324 -8.404 7.912 659 HB3 ASP 107 HB3 ASP 107 -6.973 -9.750 8.841 660 H ASP 108 HN ASP 108 -6.714 -8.735 4.704 661 HA ASP 108 HA ASP 108 -9.517 -7.898 4.818 662 HB2 ASP 108 HB2 ASP 108 -8.225 -6.229 6.098 663 HB3 ASP 108 HB3 ASP 108 -7.157 -5.992 4.719 664 H ARG 109 HN ARG 109 -6.449 -7.785 3.188 665 HA ARG 109 HA ARG 109 -7.057 -6.684 0.767 666 HE ARG 109 HE ARG 109 -6.232 -8.757 -1.655 667 HB2 ARG 109 HB2 ARG 109 -4.812 -7.490 1.877 668 HB3 ARG 109 HB3 ARG 109 -5.085 -8.907 0.879 669 HG2 ARG 109 HG2 ARG 109 -5.412 -6.455 -0.626 670 HG3 ARG 109 HG3 ARG 109 -3.815 -6.579 0.116 671 HD2 ARG 109 HD2 ARG 109 -3.532 -7.625 -1.936 672 HD3 ARG 109 HD3 ARG 109 -3.803 -8.975 -0.822 673 HH11 ARG 109 HH12 ARG 109 -3.428 -7.998 -3.589 674 HH12 ARG 109 HH11 ARG 109 -4.157 -8.498 -5.087 675 HH21 ARG 109 HH22 ARG 109 -7.227 -9.362 -3.619 676 HH22 ARG 109 HH21 ARG 109 -6.352 -9.223 -5.107 677 HA PRO 110 HA PRO 110 -8.100 -10.908 -1.197 678 HB2 PRO 110 HB2 PRO 110 -8.727 -12.792 0.943 679 HB3 PRO 110 HB3 PRO 110 -7.597 -12.970 -0.404 680 HG2 PRO 110 HG2 PRO 110 -6.768 -12.706 2.160 681 HG3 PRO 110 HG3 PRO 110 -5.833 -12.084 0.787 682 HD2 PRO 110 HD2 PRO 110 -7.667 -10.611 2.656 683 HD3 PRO 110 HD3 PRO 110 -6.065 -10.137 2.053 684 H LYS 111 HN LYS 111 -9.676 -10.181 1.870 685 HA LYS 111 HA LYS 111 -11.801 -9.628 2.407 686 HB2 LYS 111 HB2 LYS 111 -11.782 -9.152 -0.528 687 HB3 LYS 111 HB3 LYS 111 -13.332 -9.138 0.303 688 HG2 LYS 111 HG2 LYS 111 -11.102 -7.543 1.451 689 HG3 LYS 111 HG3 LYS 111 -11.924 -6.942 0.001 690 HD2 LYS 111 HD2 LYS 111 -13.384 -7.807 2.489 691 HD3 LYS 111 HD3 LYS 111 -12.850 -6.145 2.221 692 HE2 LYS 111 HE2 LYS 111 -14.186 -6.052 0.172 693 HE3 LYS 111 HE3 LYS 111 -14.707 -7.717 0.429 694 HZ1 LYS 111 HZ3 LYS 111 -16.378 -6.155 1.170 695 HZ2 LYS 111 HZ1 LYS 111 -15.278 -5.425 2.232 696 HZ3 LYS 111 HZ2 LYS 111 -15.766 -7.023 2.489 697 H LEU 112 HN LEU 112 -12.290 -11.593 -0.550 698 HA LEU 112 HA LEU 112 -14.440 -12.960 0.939 699 HG LEU 112 HG LEU 112 -13.391 -12.744 -2.614 700 HB2 LEU 112 HB2 LEU 112 -15.597 -13.259 -1.217 701 HB3 LEU 112 HB3 LEU 112 -15.413 -11.581 -0.756 702 HD11 LEU 112 HD11 LEU 112 -15.495 -13.564 -3.525 703 HD12 LEU 112 HD12 LEU 112 -16.187 -11.942 -3.424 704 HD13 LEU 112 HD13 LEU 112 -14.845 -12.264 -4.528 705 HD21 LEU 112 HD23 LEU 112 -14.802 -10.077 -2.515 706 HD22 LEU 112 HD21 LEU 112 -13.238 -10.416 -1.774 707 HD23 LEU 112 HD22 LEU 112 -13.422 -10.504 -3.525 708 H ASN 113 HN ASN 113 -11.633 -13.408 -1.046 709 HA ASN 113 HA ASN 113 -12.274 -16.262 -1.381 710 HB2 ASN 113 HB2 ASN 113 -10.619 -16.297 -3.153 711 HB3 ASN 113 HB3 ASN 113 -11.746 -14.979 -3.437 712 HD21 ASN 113 HD21 ASN 113 -8.498 -15.871 -2.760 713 HD22 ASN 113 HD22 ASN 113 -7.805 -14.296 -2.910 714 H LYS 114 HN LYS 114 -11.311 -15.031 1.094 715 HA LYS 114 HA LYS 114 -8.514 -15.729 1.339 716 HB2 LYS 114 HB2 LYS 114 -9.322 -13.731 2.464 717 HB3 LYS 114 HB3 LYS 114 -10.514 -14.674 3.346 718 HG2 LYS 114 HG2 LYS 114 -8.535 -15.940 4.335 719 HG3 LYS 114 HG3 LYS 114 -7.534 -14.642 3.681 720 HD2 LYS 114 HD2 LYS 114 -8.900 -13.010 4.935 721 HD3 LYS 114 HD3 LYS 114 -9.807 -14.349 5.642 722 HE2 LYS 114 HE2 LYS 114 -6.843 -13.864 5.934 723 HE3 LYS 114 HE3 LYS 114 -8.066 -13.554 7.163 724 HZ1 LYS 114 HZ3 LYS 114 -7.852 -16.248 6.022 725 HZ2 LYS 114 HZ1 LYS 114 -8.364 -15.770 7.568 726 HZ3 LYS 114 HZ2 LYS 114 -6.710 -15.760 7.177 727 HA PRO 115 HA PRO 115 -9.184 -19.951 2.700 728 HB2 PRO 115 HB2 PRO 115 -6.695 -20.015 3.966 729 HB3 PRO 115 HB3 PRO 115 -7.024 -20.503 2.302 730 HG2 PRO 115 HG2 PRO 115 -5.941 -17.923 3.344 731 HG3 PRO 115 HG3 PRO 115 -5.515 -18.811 1.867 732 HD2 PRO 115 HD2 PRO 115 -7.064 -16.637 1.759 733 HD3 PRO 115 HD3 PRO 115 -7.387 -18.042 0.719 734 HA PRO 116 HA PRO 116 -10.532 -19.293 6.840 735 HB2 PRO 116 HB2 PRO 116 -10.860 -21.846 7.624 736 HB3 PRO 116 HB3 PRO 116 -11.908 -21.088 6.417 737 HG2 PRO 116 HG2 PRO 116 -9.572 -22.926 6.016 738 HG3 PRO 116 HG3 PRO 116 -11.155 -22.937 5.215 739 HD2 PRO 116 HD2 PRO 116 -8.922 -21.865 4.083 740 HD3 PRO 116 HD3 PRO 116 -10.562 -21.275 3.745 741 H GLU 117 HN GLU 117 -7.516 -20.466 6.121 742 HA GLU 117 HA GLU 117 -5.551 -20.609 7.232 743 HB2 GLU 117 HB2 GLU 117 -6.960 -19.635 9.713 744 HB3 GLU 117 HB3 GLU 117 -5.255 -19.491 9.317 745 HG2 GLU 117 HG2 GLU 117 -7.484 -18.120 7.839 746 HG3 GLU 117 HG3 GLU 117 -6.516 -17.383 9.110 747 H THR 118 HN THR 118 -7.739 -21.304 9.941 748 HA THR 118 HA THR 118 -6.276 -23.811 10.366 749 HB THR 118 HB THR 118 -7.422 -23.726 12.639 750 HG1 THR 118 HG1 THR 118 -8.935 -22.007 11.702 751 HG21 THR 118 HG23 THR 118 -5.536 -21.495 11.868 752 HG22 THR 118 HG21 THR 118 -5.085 -23.122 12.366 753 HG23 THR 118 HG22 THR 118 -5.850 -22.029 13.517 754 H LEU 119 HN LEU 119 -7.209 -25.620 9.726 755 HA LEU 119 HA LEU 119 -9.874 -25.765 8.779 756 HG LEU 119 HG LEU 119 -8.769 -26.728 6.796 757 HB2 LEU 119 HB2 LEU 119 -7.852 -27.919 9.408 758 HB3 LEU 119 HB3 LEU 119 -9.427 -28.259 8.726 759 HD11 LEU 119 HD11 LEU 119 -6.078 -27.060 8.104 760 HD12 LEU 119 HD12 LEU 119 -6.311 -26.545 6.431 761 HD13 LEU 119 HD13 LEU 119 -6.926 -25.553 7.751 762 HD21 LEU 119 HD23 LEU 119 -8.856 -29.113 6.515 763 HD22 LEU 119 HD21 LEU 119 -7.417 -28.492 5.711 764 HD23 LEU 119 HD22 LEU 119 -7.275 -29.300 7.269 765 H ILE 120 HN ILE 120 -8.284 -27.105 11.650 766 HA ILE 120 HA ILE 120 -10.726 -26.717 13.147 767 HB ILE 120 HB ILE 120 -11.037 -28.998 12.380 768 HG12 ILE 120 HG12 ILE 120 -10.147 -28.985 15.275 769 HG13 ILE 120 HG13 ILE 120 -11.690 -28.371 14.699 770 HG21 ILE 120 HG21 ILE 120 -9.469 -30.787 12.886 771 HG22 ILE 120 HG22 ILE 120 -8.692 -29.540 11.907 772 HG23 ILE 120 HG23 ILE 120 -8.367 -29.630 13.638 773 HD11 ILE 120 HD13 ILE 120 -12.284 -30.623 13.930 774 HD12 ILE 120 HD11 ILE 120 -10.745 -31.227 14.550 775 HD13 ILE 120 HD12 ILE 120 -11.948 -30.570 15.660 776 H THR 121 HN THR 121 -10.169 -25.692 14.932 777 HA THR 121 HA THR 121 -7.655 -26.346 16.283 778 HB THR 121 HB THR 121 -7.227 -24.342 14.861 779 HG1 THR 121 HG1 THR 121 -7.177 -23.121 17.315 780 HG21 THR 121 HG23 THR 121 -9.488 -23.409 14.845 781 HG22 THR 121 HG21 THR 121 -8.314 -22.214 15.392 782 HG23 THR 121 HG22 THR 121 -9.349 -23.030 16.562 783 H THR 122 HN THR 122 -7.724 -24.899 18.478 784 HA THR 122 HA THR 122 -8.716 -24.669 20.521 785 HB THR 122 HB THR 122 -11.396 -24.507 19.123 786 HG1 THR 122 HG1 THR 122 -9.721 -22.260 19.487 787 HG21 THR 122 HG23 THR 122 -11.891 -22.854 20.872 788 HG22 THR 122 HG21 THR 122 -10.273 -23.069 21.537 789 HG23 THR 122 HG22 THR 122 -11.425 -24.403 21.576 790 H ILE 123 HN ILE 123 -11.263 -25.677 21.405 791 HA ILE 123 HA ILE 123 -10.921 -28.548 20.887 792 HB ILE 123 HB ILE 123 -10.515 -28.070 23.218 793 HG12 ILE 123 HG12 ILE 123 -13.286 -29.252 22.937 794 HG13 ILE 123 HG13 ILE 123 -11.791 -30.130 22.642 795 HG21 ILE 123 HG21 ILE 123 -11.640 -25.938 23.400 796 HG22 ILE 123 HG22 ILE 123 -13.208 -26.724 23.249 797 HG23 ILE 123 HG23 ILE 123 -12.201 -27.032 24.664 798 HD11 ILE 123 HD13 ILE 123 -11.145 -29.817 24.975 799 HD12 ILE 123 HD11 ILE 123 -12.641 -28.931 25.268 800 HD13 ILE 123 HD12 ILE 123 -12.698 -30.642 24.837 801 H ASP 124 HN ASP 124 -12.538 -29.620 19.991 802 HA ASP 124 HA ASP 124 -14.558 -30.166 19.113 803 HB2 ASP 124 HB2 ASP 124 -15.590 -29.327 21.229 804 HB3 ASP 124 HB3 ASP 124 -15.722 -27.736 20.484 805 H SER 125 HN SER 125 -14.678 -26.592 19.151 806 HA SER 125 HA SER 125 -14.507 -26.638 16.226 807 HG SER 125 HG SER 125 -17.124 -27.320 17.608 808 HB2 SER 125 HB2 SER 125 -16.608 -25.108 17.778 809 HB3 SER 125 HB3 SER 125 -16.376 -25.063 16.031 810 H SER 126 HN SER 126 -13.906 -24.548 15.279 811 HA SER 126 HA SER 126 -11.812 -23.262 16.592 812 HG SER 126 HG SER 126 -14.117 -22.802 13.519 813 HB2 SER 126 HB2 SER 126 -12.909 -21.489 14.661 814 HB3 SER 126 HB3 SER 126 -11.551 -22.599 14.461 815 H SER 127 HN SER 127 -15.044 -22.006 15.895 816 HA SER 127 HA SER 127 -15.477 -20.787 18.394 817 HG SER 127 HG SER 127 -15.897 -17.563 17.443 818 HB2 SER 127 HB2 SER 127 -13.722 -19.207 17.473 819 HB3 SER 127 HB3 SER 127 -14.832 -18.836 16.156 820 H SER 128 HN SER 128 -15.994 -20.409 14.922 821 HA SER 128 HA SER 128 -18.672 -21.480 15.298 822 HG SER 128 HG SER 128 -17.610 -19.296 12.655 823 HB2 SER 128 HB2 SER 128 -19.601 -19.858 13.661 824 HB3 SER 128 HB3 SER 128 -19.010 -19.055 15.116 825 HHA HEM 129 HHA HEM 129 -6.727 17.004 -6.217 826 HHB HEM 129 HHB HEM 129 -2.064 12.563 -5.888 827 HHC HEM 129 HHC HEM 129 -4.937 9.985 -0.770 828 HHD HEM 129 HHD HEM 129 -9.448 14.601 -0.892 829 HAB HEM 129 HAB HEM 129 -2.140 8.943 -1.248 830 HAC HEM 129 HAC HEM 129 -10.064 13.066 0.764 831 HMA1 HEM 129 HMA1 HEM 129 -2.291 15.351 -8.566 832 HMA2 HEM 129 HMA2 HEM 129 -1.338 14.905 -7.148 833 HMA3 HEM 129 HMA3 HEM 129 -2.118 13.656 -8.127 834 HAA1 HEM 129 HAA1 HEM 129 -4.153 17.500 -8.091 835 HAA2 HEM 129 HAA2 HEM 129 -4.090 16.148 -8.725 836 HBA1 HEM 129 HBA1 HEM 129 -6.141 17.355 -9.552 837 HBA2 HEM 129 HBA2 HEM 129 -6.751 15.934 -8.681 838 HMB1 HEM 129 HMB1 HEM 129 -0.127 10.948 -3.666 839 HMB2 HEM 129 HMB2 HEM 129 -0.911 10.109 -5.156 840 HMB3 HEM 129 HMB3 HEM 129 -0.974 9.720 -3.683 841 HBB1 HEM 129 HBB1 HEM 129 -4.075 7.870 -3.338 842 HBB2 HEM 129 HBB2 HEM 129 -2.901 6.908 -2.244 843 HMC1 HEM 129 HMC1 HEM 129 -6.978 10.776 2.159 844 HMC2 HEM 129 HMC2 HEM 129 -7.585 9.591 0.994 845 HMC3 HEM 129 HMC3 HEM 129 -5.833 9.991 1.095 846 HBC1 HEM 129 HBC1 HEM 129 -9.884 12.553 3.067 847 HBC2 HEM 129 HBC2 HEM 129 -8.160 11.913 2.860 848 HMD1 HEM 129 HMD1 HEM 129 -10.634 16.314 -1.387 849 HMD2 HEM 129 HMD2 HEM 129 -10.880 17.627 -2.701 850 HMD3 HEM 129 HMD3 HEM 129 -9.672 17.406 -1.815 851 HAD1 HEM 129 HAD1 HEM 129 -8.949 18.748 -4.992 852 HAD2 HEM 129 HAD2 HEM 129 -8.350 17.636 -5.819 853 HBD1 HEM 129 HBD1 HEM 129 -10.711 18.275 -6.614 854 HBD2 HEM 129 HBD2 HEM 129 -10.773 16.569 -6.129 Start of MODEL 14 1 HA MET 21 HA MET 21 9.746 -0.200 -14.103 2 H1 MET 21 1H MET 21 11.809 1.499 -12.916 3 HB2 MET 21 HB2 MET 21 12.685 -0.888 -14.021 4 HB3 MET 21 HB3 MET 21 11.449 -2.127 -14.085 5 HG2 MET 21 HG2 MET 21 11.751 0.041 -16.138 6 HG3 MET 21 HG3 MET 21 12.469 -1.566 -16.274 7 HE1 MET 21 HE3 MET 21 9.286 -3.858 -16.425 8 HE2 MET 21 HE1 MET 21 11.049 -3.807 -16.453 9 HE3 MET 21 HE2 MET 21 10.180 -3.392 -14.978 10 H ALA 22 HN ALA 22 10.658 1.243 -11.542 11 HA ALA 22 HA ALA 22 10.602 0.995 -9.309 12 HB1 ALA 22 HB3 ALA 22 9.233 -1.621 -9.908 13 HB2 ALA 22 HB1 ALA 22 9.323 -0.860 -8.318 14 HB3 ALA 22 HB2 ALA 22 8.456 -0.063 -9.631 15 H GLU 23 HN GLU 23 11.081 -2.466 -10.001 16 HA GLU 23 HA GLU 23 13.879 -2.295 -9.389 17 HB2 GLU 23 HB2 GLU 23 12.788 -2.201 -7.139 18 HB3 GLU 23 HB3 GLU 23 12.089 -3.778 -7.458 19 HG2 GLU 23 HG2 GLU 23 14.016 -3.964 -6.027 20 HG3 GLU 23 HG3 GLU 23 14.336 -4.738 -7.575 21 H GLN 24 HN GLN 24 14.927 -4.476 -9.558 22 HA GLN 24 HA GLN 24 14.035 -5.865 -11.790 23 HB2 GLN 24 HB2 GLN 24 15.957 -6.642 -9.614 24 HB3 GLN 24 HB3 GLN 24 15.596 -7.724 -10.946 25 HG2 GLN 24 HG2 GLN 24 17.597 -6.621 -11.489 26 HG3 GLN 24 HG3 GLN 24 16.339 -5.900 -12.486 27 HE21 GLN 24 HE21 GLN 24 18.412 -5.437 -9.730 28 HE22 GLN 24 HE22 GLN 24 18.284 -3.716 -9.674 29 H SER 25 HN SER 25 13.871 -6.943 -8.393 30 HA SER 25 HA SER 25 12.501 -9.348 -9.132 31 HG SER 25 HG SER 25 14.694 -10.221 -7.565 32 HB2 SER 25 HB2 SER 25 13.092 -8.281 -6.364 33 HB3 SER 25 HB3 SER 25 12.724 -9.947 -6.809 34 H ASP 26 HN ASP 26 10.761 -7.760 -10.070 35 HA ASP 26 HA ASP 26 8.537 -7.362 -10.126 36 HB2 ASP 26 HB2 ASP 26 8.725 -9.151 -7.808 37 HB3 ASP 26 HB3 ASP 26 7.338 -8.062 -7.774 38 H GLU 27 HN GLU 27 6.696 -6.388 -8.479 39 HA GLU 27 HA GLU 27 7.721 -3.767 -7.861 40 HB2 GLU 27 HB2 GLU 27 4.957 -4.861 -7.324 41 HB3 GLU 27 HB3 GLU 27 5.439 -3.172 -7.329 42 HG2 GLU 27 HG2 GLU 27 5.807 -3.204 -9.689 43 HG3 GLU 27 HG3 GLU 27 5.585 -4.950 -9.759 44 H ALA 28 HN ALA 28 7.426 -6.663 -6.279 45 HA ALA 28 HA ALA 28 7.933 -7.427 -4.227 46 HB1 ALA 28 HB3 ALA 28 8.781 -4.606 -3.590 47 HB2 ALA 28 HB1 ALA 28 9.220 -6.065 -2.701 48 HB3 ALA 28 HB2 ALA 28 9.808 -5.824 -4.350 49 H VAL 29 HN VAL 29 5.422 -7.430 -4.367 50 HA VAL 29 HA VAL 29 3.976 -5.647 -2.787 51 HB VAL 29 HB VAL 29 2.650 -6.935 -4.241 52 HG11 VAL 29 HG11 VAL 29 4.091 -8.813 -4.645 53 HG12 VAL 29 HG12 VAL 29 3.875 -9.388 -2.990 54 HG13 VAL 29 HG13 VAL 29 2.516 -9.405 -4.112 55 HG21 VAL 29 HG23 VAL 29 1.009 -7.983 -2.778 56 HG22 VAL 29 HG21 VAL 29 2.200 -8.107 -1.490 57 HG23 VAL 29 HG22 VAL 29 1.637 -6.520 -2.019 58 H LYS 30 HN LYS 30 4.579 -5.252 -0.781 59 HA LYS 30 HA LYS 30 5.150 -7.479 1.026 60 HB2 LYS 30 HB2 LYS 30 5.574 -4.503 1.379 61 HB3 LYS 30 HB3 LYS 30 5.958 -5.720 2.584 62 HG2 LYS 30 HG2 LYS 30 7.651 -6.676 1.199 63 HG3 LYS 30 HG3 LYS 30 7.176 -5.663 -0.166 64 HD2 LYS 30 HD2 LYS 30 8.153 -4.522 2.442 65 HD3 LYS 30 HD3 LYS 30 9.245 -4.951 1.125 66 HE2 LYS 30 HE2 LYS 30 8.877 -2.713 0.730 67 HE3 LYS 30 HE3 LYS 30 7.669 -3.462 -0.304 68 HZ1 LYS 30 HZ3 LYS 30 6.057 -3.121 1.545 69 HZ2 LYS 30 HZ1 LYS 30 6.616 -1.692 0.839 70 HZ3 LYS 30 HZ2 LYS 30 7.220 -2.190 2.341 71 H TYR 31 HN TYR 31 3.647 -8.140 2.459 72 HA TYR 31 HA TYR 31 1.148 -6.662 2.581 73 HD1 TYR 31 HD2 TYR 31 -0.455 -8.040 1.282 74 HD2 TYR 31 HD1 TYR 31 2.415 -10.945 2.436 75 HE1 TYR 31 HE2 TYR 31 -0.834 -9.224 -0.826 76 HE2 TYR 31 HE1 TYR 31 2.054 -12.143 0.320 77 HH TYR 31 HH TYR 31 0.309 -10.767 -2.281 78 HB2 TYR 31 HB2 TYR 31 1.871 -9.281 3.929 79 HB3 TYR 31 HB3 TYR 31 0.262 -8.580 3.796 80 H TYR 32 HN TYR 32 0.329 -5.614 4.313 81 HA TYR 32 HA TYR 32 2.012 -5.528 6.727 82 HD1 TYR 32 HD2 TYR 32 1.479 -3.403 3.530 83 HD2 TYR 32 HD1 TYR 32 3.087 -2.564 7.376 84 HE1 TYR 32 HE2 TYR 32 3.413 -2.321 2.476 85 HE2 TYR 32 HE1 TYR 32 5.027 -1.483 6.329 86 HH TYR 32 HH TYR 32 6.212 -1.431 4.289 87 HB2 TYR 32 HB2 TYR 32 0.079 -3.465 5.608 88 HB3 TYR 32 HB3 TYR 32 0.869 -3.317 7.171 89 H THR 33 HN THR 33 -0.022 -4.415 8.426 90 HA THR 33 HA THR 33 -2.165 -6.406 8.245 91 HB THR 33 HB THR 33 -2.130 -6.118 10.875 92 HG1 THR 33 HG1 THR 33 0.347 -5.216 10.029 93 HG21 THR 33 HG23 THR 33 -0.875 -8.229 11.000 94 HG22 THR 33 HG21 THR 33 -0.314 -7.981 9.347 95 HG23 THR 33 HG22 THR 33 -2.028 -8.244 9.664 96 H LEU 34 HN LEU 34 -4.224 -5.684 8.867 97 HA LEU 34 HA LEU 34 -4.766 -3.033 8.173 98 HG LEU 34 HG LEU 34 -7.393 -2.671 9.889 99 HB2 LEU 34 HB2 LEU 34 -6.436 -4.784 7.974 100 HB3 LEU 34 HB3 LEU 34 -6.502 -4.998 9.707 101 HD11 LEU 34 HD11 LEU 34 -6.471 -1.771 7.815 102 HD12 LEU 34 HD12 LEU 34 -7.523 -2.834 6.883 103 HD13 LEU 34 HD13 LEU 34 -8.219 -1.568 7.891 104 HD21 LEU 34 HD23 LEU 34 -8.955 -4.490 9.947 105 HD22 LEU 34 HD21 LEU 34 -9.628 -3.212 8.927 106 HD23 LEU 34 HD22 LEU 34 -8.907 -4.638 8.188 107 H GLU 35 HN GLU 35 -4.611 -4.564 11.333 108 HA GLU 35 HA GLU 35 -5.453 -2.494 12.984 109 HB2 GLU 35 HB2 GLU 35 -3.444 -4.684 13.565 110 HB3 GLU 35 HB3 GLU 35 -4.209 -3.680 14.783 111 HG2 GLU 35 HG2 GLU 35 -5.387 -5.675 14.841 112 HG3 GLU 35 HG3 GLU 35 -6.413 -4.583 13.917 113 H GLU 36 HN GLU 36 -2.528 -3.025 11.366 114 HA GLU 36 HA GLU 36 -0.812 -1.571 13.163 115 HB2 GLU 36 HB2 GLU 36 0.505 -3.162 12.290 116 HB3 GLU 36 HB3 GLU 36 -0.637 -3.488 10.989 117 HG2 GLU 36 HG2 GLU 36 0.332 -1.831 9.618 118 HG3 GLU 36 HG3 GLU 36 1.337 -1.230 10.939 119 H ILE 37 HN ILE 37 -2.498 -1.005 10.210 120 HA ILE 37 HA ILE 37 -0.997 1.312 9.430 121 HB ILE 37 HB ILE 37 -3.683 0.287 8.473 122 HG12 ILE 37 HG12 ILE 37 -0.929 0.004 7.229 123 HG13 ILE 37 HG13 ILE 37 -1.709 -1.250 8.187 124 HG21 ILE 37 HG21 ILE 37 -3.313 1.678 6.503 125 HG22 ILE 37 HG22 ILE 37 -3.387 2.665 7.964 126 HG23 ILE 37 HG23 ILE 37 -1.826 2.312 7.216 127 HD11 ILE 37 HD13 ILE 37 -1.972 -1.727 5.863 128 HD12 ILE 37 HD11 ILE 37 -3.540 -1.315 6.554 129 HD13 ILE 37 HD12 ILE 37 -2.673 -0.134 5.569 130 H GLN 38 HN GLN 38 -3.691 0.620 11.440 131 HA GLN 38 HA GLN 38 -4.823 3.170 11.655 132 HB2 GLN 38 HB2 GLN 38 -4.688 0.779 13.466 133 HB3 GLN 38 HB3 GLN 38 -5.415 2.276 14.031 134 HG2 GLN 38 HG2 GLN 38 -6.248 0.953 11.472 135 HG3 GLN 38 HG3 GLN 38 -6.963 0.537 13.028 136 HE21 GLN 38 HE21 GLN 38 -6.545 3.115 10.657 137 HE22 GLN 38 HE22 GLN 38 -7.885 4.067 11.198 138 H LYS 39 HN LYS 39 -1.913 1.804 12.966 139 HA LYS 39 HA LYS 39 -1.625 3.805 15.017 140 HB2 LYS 39 HB2 LYS 39 -0.839 1.345 15.103 141 HB3 LYS 39 HB3 LYS 39 0.491 1.874 14.083 142 HG2 LYS 39 HG2 LYS 39 1.318 3.337 15.742 143 HG3 LYS 39 HG3 LYS 39 -0.137 3.157 16.722 144 HD2 LYS 39 HD2 LYS 39 1.669 1.858 17.672 145 HD3 LYS 39 HD3 LYS 39 0.417 0.777 17.052 146 HE2 LYS 39 HE2 LYS 39 1.738 0.454 15.008 147 HE3 LYS 39 HE3 LYS 39 2.998 1.498 15.667 148 HZ1 LYS 39 HZ3 LYS 39 3.327 -0.067 17.471 149 HZ2 LYS 39 HZ1 LYS 39 3.506 -0.850 15.976 150 HZ3 LYS 39 HZ2 LYS 39 2.087 -1.056 16.873 151 H HIS 40 HN HIS 40 -1.486 4.005 11.882 152 HA HIS 40 HA HIS 40 0.845 5.793 11.799 153 HD1 HIS 40 HD1 HIS 40 1.084 1.659 9.984 154 HD2 HIS 40 HD2 HIS 40 3.119 4.857 11.666 155 HE1 HIS 40 HE1 HIS 40 3.181 0.681 10.981 156 HE2 HIS 40 HE2 HIS 40 4.523 2.679 11.714 157 HB2 HIS 40 HB2 HIS 40 -0.168 3.819 9.744 158 HB3 HIS 40 HB3 HIS 40 0.998 5.087 9.374 159 H ASN 41 HN ASN 41 -2.044 6.230 12.315 160 HA ASN 41 HA ASN 41 -2.842 7.909 10.049 161 HB2 ASN 41 HB2 ASN 41 -5.058 7.731 10.834 162 HB3 ASN 41 HB3 ASN 41 -4.374 6.147 11.172 163 HD21 ASN 41 HD21 ASN 41 -2.924 6.950 13.565 164 HD22 ASN 41 HD22 ASN 41 -4.106 7.224 14.782 165 H HIS 42 HN HIS 42 -0.696 8.649 11.965 166 HA HIS 42 HA HIS 42 -1.986 10.847 13.430 167 HD1 HIS 42 HD1 HIS 42 1.213 8.919 12.905 168 HD2 HIS 42 HD2 HIS 42 0.237 7.652 16.739 169 HE1 HIS 42 HE1 HIS 42 3.085 7.390 13.610 170 HE2 HIS 42 HE2 HIS 42 2.582 6.845 16.003 171 HB2 HIS 42 HB2 HIS 42 -0.773 10.294 15.471 172 HB3 HIS 42 HB3 HIS 42 -1.783 8.941 14.977 173 H SER 43 HN SER 43 0.147 11.784 14.845 174 HA SER 43 HA SER 43 1.279 13.584 13.124 175 HG SER 43 HG SER 43 1.443 12.205 16.587 176 HB2 SER 43 HB2 SER 43 2.925 13.960 15.005 177 HB3 SER 43 HB3 SER 43 1.222 14.006 15.466 178 H LYS 44 HN LYS 44 2.990 10.849 14.591 179 HA LYS 44 HA LYS 44 5.497 11.389 13.474 180 HB2 LYS 44 HB2 LYS 44 4.314 8.904 14.663 181 HB3 LYS 44 HB3 LYS 44 5.987 8.977 14.120 182 HG2 LYS 44 HG2 LYS 44 4.780 10.849 16.153 183 HG3 LYS 44 HG3 LYS 44 5.651 9.371 16.554 184 HD2 LYS 44 HD2 LYS 44 7.283 11.007 16.763 185 HD3 LYS 44 HD3 LYS 44 7.561 10.400 15.127 186 HE2 LYS 44 HE2 LYS 44 6.144 12.286 14.283 187 HE3 LYS 44 HE3 LYS 44 6.098 12.922 15.927 188 HZ1 LYS 44 HZ3 LYS 44 8.532 12.526 14.271 189 HZ2 LYS 44 HZ1 LYS 44 8.522 13.111 15.868 190 HZ3 LYS 44 HZ2 LYS 44 7.792 14.007 14.622 191 H SER 45 HN SER 45 2.859 9.540 12.172 192 HA SER 45 HA SER 45 4.161 9.441 9.610 193 HG SER 45 HG SER 45 5.719 8.143 10.768 194 HB2 SER 45 HB2 SER 45 3.342 6.841 10.934 195 HB3 SER 45 HB3 SER 45 3.891 7.010 9.269 196 H THR 46 HN THR 46 2.663 9.357 7.913 197 HA THR 46 HA THR 46 -0.146 9.035 8.729 198 HB THR 46 HB THR 46 0.877 11.155 6.816 199 HG1 THR 46 HG1 THR 46 0.612 11.119 9.533 200 HG21 THR 46 HG23 THR 46 -1.880 10.649 7.953 201 HG22 THR 46 HG21 THR 46 -1.396 10.367 6.281 202 HG23 THR 46 HG22 THR 46 -1.429 12.010 6.928 203 H TRP 47 HN TRP 47 -0.503 7.052 7.830 204 HA TRP 47 HA TRP 47 -0.005 6.758 4.952 205 HD1 TRP 47 HD1 TRP 47 2.195 6.510 5.671 206 HE1 TRP 47 HE1 TRP 47 4.359 5.203 6.152 207 HE3 TRP 47 HE3 TRP 47 0.138 2.055 7.107 208 HZ2 TRP 47 HZ2 TRP 47 5.083 2.611 7.046 209 HZ3 TRP 47 HZ3 TRP 47 1.631 0.225 7.762 210 HH2 TRP 47 HH2 TRP 47 4.047 0.503 7.736 211 HB2 TRP 47 HB2 TRP 47 -0.717 4.705 7.039 212 HB3 TRP 47 HB3 TRP 47 -0.626 4.365 5.322 213 H LEU 48 HN LEU 48 -1.795 5.486 3.808 214 HA LEU 48 HA LEU 48 -4.396 5.515 5.077 215 HG LEU 48 HG LEU 48 -4.283 6.064 1.455 216 HB2 LEU 48 HB2 LEU 48 -5.594 6.823 3.518 217 HB3 LEU 48 HB3 LEU 48 -4.189 7.791 3.925 218 HD11 LEU 48 HD11 LEU 48 -4.973 8.060 0.204 219 HD12 LEU 48 HD12 LEU 48 -6.194 7.586 1.382 220 HD13 LEU 48 HD13 LEU 48 -5.134 8.952 1.713 221 HD21 LEU 48 HD23 LEU 48 -2.587 7.635 0.652 222 HD22 LEU 48 HD21 LEU 48 -2.652 8.498 2.188 223 HD23 LEU 48 HD22 LEU 48 -2.073 6.832 2.135 224 H ILE 49 HN ILE 49 -6.058 4.622 3.394 225 HA ILE 49 HA ILE 49 -4.749 2.735 1.529 226 HB ILE 49 HB ILE 49 -7.208 2.091 3.195 227 HG12 ILE 49 HG12 ILE 49 -4.388 1.045 3.542 228 HG13 ILE 49 HG13 ILE 49 -5.120 2.292 4.549 229 HG21 ILE 49 HG21 ILE 49 -5.495 0.394 1.377 230 HG22 ILE 49 HG22 ILE 49 -6.774 -0.227 2.425 231 HG23 ILE 49 HG23 ILE 49 -7.168 0.879 1.111 232 HD11 ILE 49 HD13 ILE 49 -6.801 0.725 5.303 233 HD12 ILE 49 HD11 ILE 49 -6.122 -0.534 4.271 234 HD13 ILE 49 HD12 ILE 49 -5.183 0.109 5.619 235 H LEU 50 HN LEU 50 -5.879 2.498 -0.463 236 HA LEU 50 HA LEU 50 -8.153 4.344 -0.753 237 HG LEU 50 HG LEU 50 -5.936 5.963 -1.301 238 HB2 LEU 50 HB2 LEU 50 -5.792 3.841 -2.464 239 HB3 LEU 50 HB3 LEU 50 -7.312 4.157 -3.281 240 HD11 LEU 50 HD11 LEU 50 -6.471 6.299 -4.251 241 HD12 LEU 50 HD12 LEU 50 -5.635 7.443 -3.200 242 HD13 LEU 50 HD13 LEU 50 -4.917 5.869 -3.540 243 HD21 LEU 50 HD23 LEU 50 -8.483 6.447 -2.838 244 HD22 LEU 50 HD21 LEU 50 -8.410 6.010 -1.134 245 HD23 LEU 50 HD22 LEU 50 -7.716 7.535 -1.682 246 H HIS 51 HN HIS 51 -7.398 1.101 -0.812 247 HA HIS 51 HA HIS 51 -9.830 0.313 -2.009 248 HD1 HIS 51 HD1 HIS 51 -10.377 -1.528 -4.888 249 HD2 HIS 51 HD2 HIS 51 -9.587 2.558 -4.772 250 HE1 HIS 51 HE1 HIS 51 -12.120 -0.464 -6.351 251 HE2 HIS 51 HE2 HIS 51 -11.765 2.014 -6.073 252 HB2 HIS 51 HB2 HIS 51 -7.617 0.742 -3.815 253 HB3 HIS 51 HB3 HIS 51 -8.089 -0.956 -3.830 254 H HIS 52 HN HIS 52 -6.496 -0.571 -1.353 255 HA HIS 52 HA HIS 52 -7.003 -2.729 0.365 256 HD1 HIS 52 HD1 HIS 52 -8.606 -5.166 -3.079 257 HD2 HIS 52 HD2 HIS 52 -8.182 -4.471 0.997 258 HE1 HIS 52 HE1 HIS 52 -10.574 -6.291 -1.986 259 HE2 HIS 52 HE2 HIS 52 -10.412 -5.641 0.438 260 HB2 HIS 52 HB2 HIS 52 -6.828 -3.422 -2.528 261 HB3 HIS 52 HB3 HIS 52 -5.899 -4.417 -1.412 262 H LYS 53 HN LYS 53 -5.012 -1.026 -1.875 263 HA LYS 53 HA LYS 53 -2.535 -1.904 -0.660 264 HB2 LYS 53 HB2 LYS 53 -3.069 0.157 -2.807 265 HB3 LYS 53 HB3 LYS 53 -1.482 -0.429 -2.316 266 HG2 LYS 53 HG2 LYS 53 -1.969 -2.609 -3.141 267 HG3 LYS 53 HG3 LYS 53 -3.649 -2.174 -3.459 268 HD2 LYS 53 HD2 LYS 53 -2.783 -0.447 -5.068 269 HD3 LYS 53 HD3 LYS 53 -1.174 -1.141 -4.857 270 HE2 LYS 53 HE2 LYS 53 -3.618 -2.575 -5.892 271 HE3 LYS 53 HE3 LYS 53 -2.252 -2.027 -6.857 272 HZ1 LYS 53 HZ3 LYS 53 -2.081 -4.366 -6.408 273 HZ2 LYS 53 HZ1 LYS 53 -2.168 -4.108 -4.732 274 HZ3 LYS 53 HZ2 LYS 53 -0.830 -3.547 -5.615 275 H VAL 54 HN VAL 54 -1.194 -0.619 0.566 276 HA VAL 54 HA VAL 54 -2.493 1.666 1.855 277 HB VAL 54 HB VAL 54 -1.623 -0.023 3.373 278 HG11 VAL 54 HG11 VAL 54 1.032 0.444 2.037 279 HG12 VAL 54 HG12 VAL 54 0.805 -0.473 3.528 280 HG13 VAL 54 HG13 VAL 54 0.070 -1.032 2.028 281 HG21 VAL 54 HG23 VAL 54 0.078 2.462 3.414 282 HG22 VAL 54 HG21 VAL 54 -1.517 2.278 4.150 283 HG23 VAL 54 HG22 VAL 54 -0.146 1.358 4.770 284 H TYR 55 HN TYR 55 -1.839 3.685 1.580 285 HA TYR 55 HA TYR 55 0.563 4.146 -0.063 286 HD1 TYR 55 HD2 TYR 55 -2.834 3.431 -0.385 287 HD2 TYR 55 HD1 TYR 55 -0.812 6.138 -2.971 288 HE1 TYR 55 HE2 TYR 55 -3.957 2.418 -2.329 289 HE2 TYR 55 HE1 TYR 55 -1.935 5.137 -4.908 290 HH TYR 55 HH TYR 55 -3.047 3.099 -5.562 291 HB2 TYR 55 HB2 TYR 55 -1.856 5.946 0.260 292 HB3 TYR 55 HB3 TYR 55 -0.450 6.317 -0.724 293 H ASP 56 HN ASP 56 1.760 6.180 0.494 294 HA ASP 56 HA ASP 56 1.423 6.928 3.329 295 HB2 ASP 56 HB2 ASP 56 3.356 5.537 3.317 296 HB3 ASP 56 HB3 ASP 56 3.968 6.277 1.841 297 H LEU 57 HN LEU 57 1.666 9.083 3.841 298 HA LEU 57 HA LEU 57 2.338 10.856 1.583 299 HG LEU 57 HG LEU 57 -1.111 12.087 2.417 300 HB2 LEU 57 HB2 LEU 57 0.772 11.643 4.034 301 HB3 LEU 57 HB3 LEU 57 1.134 12.657 2.666 302 HD11 LEU 57 HD11 LEU 57 0.266 11.804 0.373 303 HD12 LEU 57 HD12 LEU 57 0.319 10.072 0.704 304 HD13 LEU 57 HD13 LEU 57 -1.225 10.862 0.375 305 HD21 LEU 57 HD23 LEU 57 -1.989 9.810 2.565 306 HD22 LEU 57 HD21 LEU 57 -0.383 9.222 2.988 307 HD23 LEU 57 HD22 LEU 57 -1.232 10.317 4.073 308 H THR 58 HN THR 58 2.271 11.123 5.101 309 HA THR 58 HA THR 58 3.634 12.113 6.594 310 HB THR 58 HB THR 58 5.789 10.679 5.060 311 HG1 THR 58 HG1 THR 58 4.271 9.154 5.609 312 HG21 THR 58 HG23 THR 58 6.676 12.248 6.703 313 HG22 THR 58 HG21 THR 58 6.938 10.583 7.227 314 HG23 THR 58 HG22 THR 58 5.644 11.544 7.949 315 H LYS 59 HN LYS 59 5.837 12.310 3.803 316 HA LYS 59 HA LYS 59 6.500 15.031 4.402 317 HB2 LYS 59 HB2 LYS 59 7.183 13.073 2.272 318 HB3 LYS 59 HB3 LYS 59 7.463 14.779 1.961 319 HG2 LYS 59 HG2 LYS 59 8.908 14.922 3.904 320 HG3 LYS 59 HG3 LYS 59 8.604 13.217 4.268 321 HD2 LYS 59 HD2 LYS 59 9.624 12.552 2.163 322 HD3 LYS 59 HD3 LYS 59 9.846 14.241 1.713 323 HE2 LYS 59 HE2 LYS 59 11.135 12.846 4.057 324 HE3 LYS 59 HE3 LYS 59 11.916 13.230 2.525 325 HZ1 LYS 59 HZ3 LYS 59 12.515 14.903 4.087 326 HZ2 LYS 59 HZ1 LYS 59 10.902 15.158 4.549 327 HZ3 LYS 59 HZ2 LYS 59 11.425 15.611 3.000 328 H PHE 60 HN PHE 60 4.309 13.368 2.319 329 HA PHE 60 HA PHE 60 3.933 15.382 0.368 330 HD1 PHE 60 HD1 PHE 60 3.816 14.720 -1.849 331 HD2 PHE 60 HD2 PHE 60 0.101 13.378 -0.261 332 HE1 PHE 60 HE1 PHE 60 2.699 15.368 -3.951 333 HE2 PHE 60 HE2 PHE 60 -1.020 14.024 -2.342 334 HZ PHE 60 HZ PHE 60 0.270 14.922 -4.218 335 HB2 PHE 60 HB2 PHE 60 3.489 12.918 0.114 336 HB3 PHE 60 HB3 PHE 60 1.995 13.172 1.006 337 H LEU 61 HN LEU 61 2.920 15.398 3.525 338 HA LEU 61 HA LEU 61 0.263 15.952 3.630 339 HG LEU 61 HG LEU 61 2.417 14.847 5.578 340 HB2 LEU 61 HB2 LEU 61 2.511 17.230 5.172 341 HB3 LEU 61 HB3 LEU 61 0.821 17.417 5.600 342 HD11 LEU 61 HD11 LEU 61 1.907 14.861 7.993 343 HD12 LEU 61 HD12 LEU 61 2.929 16.204 7.469 344 HD13 LEU 61 HD13 LEU 61 1.220 16.475 7.801 345 HD21 LEU 61 HD23 LEU 61 0.404 13.790 6.485 346 HD22 LEU 61 HD21 LEU 61 -0.502 15.272 6.183 347 HD23 LEU 61 HD22 LEU 61 0.177 14.360 4.832 348 H GLU 62 HN GLU 62 2.768 18.455 3.249 349 HA GLU 62 HA GLU 62 0.829 20.564 2.914 350 HB2 GLU 62 HB2 GLU 62 3.495 21.419 2.273 351 HB3 GLU 62 HB3 GLU 62 2.490 21.876 3.637 352 HG2 GLU 62 HG2 GLU 62 3.334 19.954 4.904 353 HG3 GLU 62 HG3 GLU 62 4.334 19.484 3.522 354 H GLU 63 HN GLU 63 2.166 18.336 0.878 355 HA GLU 63 HA GLU 63 2.674 20.172 -1.342 356 HB2 GLU 63 HB2 GLU 63 4.317 18.352 -0.422 357 HB3 GLU 63 HB3 GLU 63 3.336 17.244 -1.377 358 HG2 GLU 63 HG2 GLU 63 3.880 18.338 -3.391 359 HG3 GLU 63 HG3 GLU 63 4.577 19.717 -2.542 360 H HIS 64 HN HIS 64 0.259 18.170 -0.191 361 HA HIS 64 HA HIS 64 -0.757 17.313 -2.723 362 HD1 HIS 64 HD1 HIS 64 -4.477 17.360 -0.129 363 HD2 HIS 64 HD2 HIS 64 -2.711 14.834 -2.985 364 HE1 HIS 64 HE1 HIS 64 -6.377 16.086 -1.258 365 HB2 HIS 64 HB3 HIS 64 -1.173 15.973 -0.753 366 HB3 HIS 64 HB2 HIS 64 -1.966 17.285 0.056 367 HA PRO 65 HA PRO 65 -2.351 21.350 -3.678 368 HB2 PRO 65 HB2 PRO 65 -4.068 20.646 -5.692 369 HB3 PRO 65 HB3 PRO 65 -2.321 20.813 -5.878 370 HG2 PRO 65 HG2 PRO 65 -3.957 18.350 -5.492 371 HG3 PRO 65 HG3 PRO 65 -2.571 18.621 -6.565 372 HD2 PRO 65 HD2 PRO 65 -2.341 17.307 -4.222 373 HD3 PRO 65 HD3 PRO 65 -1.036 18.333 -4.847 374 H GLY 66 HN GLY 66 -4.691 18.732 -3.118 375 HA2 GLY 66 HA1 GLY 66 -6.712 20.809 -2.547 376 HA3 GLY 66 HA2 GLY 66 -7.116 19.264 -3.268 377 H GLY 67 HN GLY 67 -4.948 19.939 -0.554 378 HA2 GLY 67 HA1 GLY 67 -6.633 19.513 1.584 379 HA3 GLY 67 HA2 GLY 67 -6.172 17.904 1.041 380 H GLU 68 HN GLU 68 -5.601 19.154 3.574 381 HA GLU 68 HA GLU 68 -2.773 18.577 3.650 382 HB2 GLU 68 HB2 GLU 68 -2.890 21.037 3.147 383 HB3 GLU 68 HB3 GLU 68 -3.777 21.266 4.642 384 HG2 GLU 68 HG2 GLU 68 -1.830 20.421 5.894 385 HG3 GLU 68 HG3 GLU 68 -0.956 20.259 4.369 386 H GLU 69 HN GLU 69 -5.094 20.324 5.671 387 HA GLU 69 HA GLU 69 -4.484 18.779 8.000 388 HB2 GLU 69 HB2 GLU 69 -5.016 21.168 8.127 389 HB3 GLU 69 HB3 GLU 69 -6.604 20.868 7.440 390 HG2 GLU 69 HG2 GLU 69 -6.984 21.113 9.726 391 HG3 GLU 69 HG3 GLU 69 -7.031 19.376 9.453 392 H VAL 70 HN VAL 70 -7.318 19.172 5.883 393 HA VAL 70 HA VAL 70 -8.953 17.403 7.415 394 HB VAL 70 HB VAL 70 -10.594 17.645 5.618 395 HG11 VAL 70 HG11 VAL 70 -10.431 19.323 7.390 396 HG12 VAL 70 HG12 VAL 70 -9.261 20.230 6.432 397 HG13 VAL 70 HG13 VAL 70 -10.921 20.059 5.865 398 HG21 VAL 70 HG23 VAL 70 -10.096 19.113 3.698 399 HG22 VAL 70 HG21 VAL 70 -8.418 19.227 4.223 400 HG23 VAL 70 HG22 VAL 70 -9.076 17.677 3.701 401 H LEU 71 HN LEU 71 -6.454 16.677 5.382 402 HA LEU 71 HA LEU 71 -7.475 14.305 4.209 403 HG LEU 71 HG LEU 71 -5.543 16.622 3.318 404 HB2 LEU 71 HB2 LEU 71 -4.622 14.989 4.930 405 HB3 LEU 71 HB3 LEU 71 -5.141 13.691 3.879 406 HD11 LEU 71 HD11 LEU 71 -3.591 14.667 2.108 407 HD12 LEU 71 HD12 LEU 71 -3.769 16.370 1.686 408 HD13 LEU 71 HD13 LEU 71 -3.181 15.911 3.284 409 HD21 LEU 71 HD23 LEU 71 -7.248 15.211 2.300 410 HD22 LEU 71 HD21 LEU 71 -6.145 15.854 1.082 411 HD23 LEU 71 HD22 LEU 71 -5.994 14.178 1.610 412 H ARG 72 HN ARG 72 -6.027 15.125 7.277 413 HA ARG 72 HA ARG 72 -5.103 12.681 8.141 414 HE ARG 72 HE ARG 72 -3.890 14.559 11.732 415 HB2 ARG 72 HB2 ARG 72 -6.385 14.901 9.743 416 HB3 ARG 72 HB3 ARG 72 -5.459 13.564 10.441 417 HG2 ARG 72 HG2 ARG 72 -3.470 14.253 9.370 418 HG3 ARG 72 HG3 ARG 72 -4.338 15.361 8.306 419 HD2 ARG 72 HD2 ARG 72 -3.184 16.609 10.002 420 HD3 ARG 72 HD3 ARG 72 -4.923 16.724 10.284 421 HH11 ARG 72 HH12 ARG 72 -3.887 18.064 11.728 422 HH12 ARG 72 HH11 ARG 72 -3.509 18.171 13.429 423 HH21 ARG 72 HH22 ARG 72 -3.419 14.701 13.914 424 HH22 ARG 72 HH21 ARG 72 -3.238 16.256 14.675 425 H GLU 73 HN GLU 73 -8.393 13.851 8.155 426 HA GLU 73 HA GLU 73 -9.503 12.268 10.157 427 HB2 GLU 73 HB2 GLU 73 -10.540 14.299 9.240 428 HB3 GLU 73 HB3 GLU 73 -10.822 13.476 7.712 429 HG2 GLU 73 HG2 GLU 73 -12.222 11.832 9.009 430 HG3 GLU 73 HG3 GLU 73 -12.107 12.954 10.370 431 H GLN 74 HN GLN 74 -8.808 11.602 6.867 432 HA GLN 74 HA GLN 74 -10.500 9.198 6.767 433 HB2 GLN 74 HB2 GLN 74 -9.114 10.804 4.616 434 HB3 GLN 74 HB3 GLN 74 -10.073 9.364 4.315 435 HG2 GLN 74 HG2 GLN 74 -11.089 11.938 5.508 436 HG3 GLN 74 HG3 GLN 74 -11.302 11.410 3.840 437 HE21 GLN 74 HE21 GLN 74 -13.265 12.037 5.981 438 HE22 GLN 74 HE22 GLN 74 -14.267 10.629 6.100 439 H ALA 75 HN ALA 75 -7.360 10.117 7.358 440 HA ALA 75 HA ALA 75 -6.058 7.949 5.950 441 HB1 ALA 75 HB3 ALA 75 -4.882 10.081 7.730 442 HB2 ALA 75 HB1 ALA 75 -3.968 8.920 6.767 443 HB3 ALA 75 HB2 ALA 75 -4.970 10.133 5.970 444 H GLY 76 HN GLY 76 -4.820 6.366 6.945 445 HA2 GLY 76 HA1 GLY 76 -4.113 5.185 8.956 446 HA3 GLY 76 HA2 GLY 76 -5.568 5.795 9.741 447 H GLY 77 HN GLY 77 -7.046 5.276 7.157 448 HA2 GLY 77 HA1 GLY 77 -6.899 2.380 6.867 449 HA3 GLY 77 HA2 GLY 77 -8.431 3.028 7.472 450 H ASP 78 HN ASP 78 -9.573 2.359 5.539 451 HA ASP 78 HA ASP 78 -8.507 3.176 2.999 452 HB2 ASP 78 HB2 ASP 78 -9.982 1.132 3.366 453 HB3 ASP 78 HB3 ASP 78 -11.339 2.251 3.453 454 H ALA 79 HN ALA 79 -9.492 4.700 1.553 455 HA ALA 79 HA ALA 79 -11.112 6.752 2.915 456 HB1 ALA 79 HB3 ALA 79 -9.738 8.509 1.980 457 HB2 ALA 79 HB1 ALA 79 -8.755 7.419 2.958 458 HB3 ALA 79 HB2 ALA 79 -8.707 7.311 1.199 459 H THR 80 HN THR 80 -11.285 4.605 0.533 460 HA THR 80 HA THR 80 -11.637 6.221 -1.791 461 HB THR 80 HB THR 80 -11.108 3.747 -1.857 462 HG1 THR 80 HG1 THR 80 -13.327 4.767 -3.327 463 HG21 THR 80 HG23 THR 80 -13.044 2.198 -1.824 464 HG22 THR 80 HG21 THR 80 -14.066 3.521 -1.260 465 HG23 THR 80 HG22 THR 80 -12.751 2.931 -0.241 466 H GLU 81 HN GLU 81 -13.559 5.836 0.912 467 HA GLU 81 HA GLU 81 -16.180 6.007 0.150 468 HB2 GLU 81 HB2 GLU 81 -15.150 6.233 2.481 469 HB3 GLU 81 HB3 GLU 81 -14.905 7.928 2.115 470 HG2 GLU 81 HG2 GLU 81 -16.869 8.154 3.149 471 HG3 GLU 81 HG3 GLU 81 -17.509 7.723 1.567 472 H ASN 82 HN ASN 82 -13.755 8.550 0.180 473 HA ASN 82 HA ASN 82 -15.380 10.684 -0.730 474 HB2 ASN 82 HB2 ASN 82 -13.385 11.122 0.562 475 HB3 ASN 82 HB3 ASN 82 -12.382 10.292 -0.624 476 HD21 ASN 82 HD21 ASN 82 -14.105 13.206 0.140 477 HD22 ASN 82 HD22 ASN 82 -13.453 14.152 -1.150 478 H PHE 83 HN PHE 83 -13.329 8.346 -2.239 479 HA PHE 83 HA PHE 83 -12.836 9.733 -4.649 480 HD1 PHE 83 HD1 PHE 83 -10.289 9.187 -5.742 481 HD2 PHE 83 HD2 PHE 83 -12.768 5.736 -6.033 482 HE1 PHE 83 HE1 PHE 83 -9.421 8.763 -8.013 483 HE2 PHE 83 HE2 PHE 83 -11.889 5.307 -8.286 484 HZ PHE 83 HZ PHE 83 -10.264 6.880 -9.311 485 HB2 PHE 83 HB2 PHE 83 -11.297 8.066 -3.718 486 HB3 PHE 83 HB3 PHE 83 -12.505 6.810 -3.955 487 H GLU 84 HN GLU 84 -15.306 7.528 -3.635 488 HA GLU 84 HA GLU 84 -16.098 6.968 -6.379 489 HB2 GLU 84 HB2 GLU 84 -17.146 6.004 -3.729 490 HB3 GLU 84 HB3 GLU 84 -17.806 5.499 -5.279 491 HG2 GLU 84 HG2 GLU 84 -15.338 4.873 -5.797 492 HG3 GLU 84 HG3 GLU 84 -15.166 4.890 -4.045 493 H ASP 85 HN ASP 85 -16.583 9.389 -4.259 494 HA ASP 85 HA ASP 85 -19.374 9.908 -4.955 495 HB2 ASP 85 HB2 ASP 85 -18.642 10.243 -2.598 496 HB3 ASP 85 HB3 ASP 85 -17.501 11.474 -3.143 497 H VAL 86 HN VAL 86 -16.179 11.439 -5.151 498 HA VAL 86 HA VAL 86 -17.072 12.747 -7.617 499 HB VAL 86 HB VAL 86 -15.672 14.776 -7.019 500 HG11 VAL 86 HG11 VAL 86 -18.102 14.210 -5.321 501 HG12 VAL 86 HG12 VAL 86 -17.453 15.809 -5.686 502 HG13 VAL 86 HG13 VAL 86 -18.111 14.807 -6.980 503 HG21 VAL 86 HG23 VAL 86 -14.371 13.898 -5.196 504 HG22 VAL 86 HG21 VAL 86 -15.384 15.207 -4.587 505 HG23 VAL 86 HG22 VAL 86 -15.830 13.532 -4.279 506 H GLY 87 HN GLY 87 -14.185 12.038 -5.610 507 HA2 GLY 87 HA1 GLY 87 -12.534 10.519 -6.243 508 HA3 GLY 87 HA2 GLY 87 -13.125 10.607 -7.894 509 H HIS 88 HN HIS 88 -11.093 10.737 -8.668 510 HA HIS 88 HA HIS 88 -9.651 13.288 -8.329 511 HD1 HIS 88 HD1 HIS 88 -8.604 9.972 -6.003 512 HD2 HIS 88 HD2 HIS 88 -6.880 13.629 -6.989 513 HE1 HIS 88 HE1 HIS 88 -7.484 10.844 -3.881 514 HB2 HIS 88 HB2 HIS 88 -8.591 10.464 -8.519 515 HB3 HIS 88 HB3 HIS 88 -7.615 11.818 -9.061 516 H SER 89 HN SER 89 -7.904 13.181 -10.358 517 HA SER 89 HA SER 89 -9.467 12.480 -12.745 518 HG SER 89 HG SER 89 -6.632 15.137 -12.637 519 HB2 SER 89 HB2 SER 89 -8.170 14.358 -13.880 520 HB3 SER 89 HB3 SER 89 -9.381 14.846 -12.697 521 H THR 90 HN THR 90 -7.596 12.703 -14.709 522 HA THR 90 HA THR 90 -6.382 10.234 -14.681 523 HB THR 90 HB THR 90 -5.300 12.545 -16.280 524 HG1 THR 90 HG1 THR 90 -7.053 12.235 -17.686 525 HG21 THR 90 HG23 THR 90 -4.196 10.338 -16.519 526 HG22 THR 90 HG21 THR 90 -5.004 10.839 -18.002 527 HG23 THR 90 HG22 THR 90 -5.746 9.630 -16.961 528 H ASP 91 HN ASP 91 -5.049 13.328 -13.644 529 HA ASP 91 HA ASP 91 -2.345 12.838 -13.635 530 HB2 ASP 91 HB2 ASP 91 -3.688 14.272 -11.366 531 HB3 ASP 91 HB3 ASP 91 -2.146 14.631 -12.119 532 H ALA 92 HN ALA 92 -4.676 12.075 -11.054 533 HA ALA 92 HA ALA 92 -2.555 11.107 -9.322 534 HB1 ALA 92 HB3 ALA 92 -4.344 10.882 -7.653 535 HB2 ALA 92 HB1 ALA 92 -4.306 12.485 -8.388 536 HB3 ALA 92 HB2 ALA 92 -5.530 11.316 -8.885 537 H ARG 93 HN ARG 93 -3.898 9.649 -11.825 538 HA ARG 93 HA ARG 93 -4.291 7.037 -10.545 539 HE ARG 93 HE ARG 93 -3.987 6.111 -16.268 540 HB2 ARG 93 HB2 ARG 93 -5.230 6.296 -12.541 541 HB3 ARG 93 HB3 ARG 93 -5.692 7.992 -12.540 542 HG2 ARG 93 HG2 ARG 93 -3.730 8.454 -14.014 543 HG3 ARG 93 HG3 ARG 93 -3.458 6.712 -14.105 544 HD2 ARG 93 HD2 ARG 93 -6.202 7.215 -14.665 545 HD3 ARG 93 HD3 ARG 93 -5.231 8.306 -15.644 546 HH11 ARG 93 HH12 ARG 93 -7.406 6.383 -15.595 547 HH12 ARG 93 HH11 ARG 93 -7.856 5.063 -16.619 548 HH21 ARG 93 HH22 ARG 93 -4.571 4.383 -17.669 549 HH22 ARG 93 HH21 ARG 93 -6.246 3.935 -17.840 550 H GLU 94 HN GLU 94 -1.869 8.959 -11.701 551 HA GLU 94 HA GLU 94 -0.169 6.686 -12.462 552 HB2 GLU 94 HB2 GLU 94 -0.946 8.355 -14.280 553 HB3 GLU 94 HB3 GLU 94 0.183 9.480 -13.525 554 HG2 GLU 94 HG2 GLU 94 1.285 8.434 -15.341 555 HG3 GLU 94 HG3 GLU 94 1.970 7.759 -13.863 556 H MET 95 HN MET 95 -0.258 9.963 -11.179 557 HA MET 95 HA MET 95 2.438 10.117 -10.415 558 HB2 MET 95 HB2 MET 95 1.018 12.079 -10.767 559 HB3 MET 95 HB3 MET 95 0.044 11.653 -9.373 560 HG2 MET 95 HG2 MET 95 1.922 12.015 -7.903 561 HG3 MET 95 HG3 MET 95 2.969 12.362 -9.276 562 HE1 MET 95 HE3 MET 95 0.901 14.239 -11.105 563 HE2 MET 95 HE1 MET 95 1.525 15.794 -10.557 564 HE3 MET 95 HE2 MET 95 2.634 14.462 -10.873 565 H SER 96 HN SER 96 -0.127 8.411 -9.008 566 HA SER 96 HA SER 96 0.743 8.778 -6.259 567 HG SER 96 HG SER 96 -2.691 7.625 -7.911 568 HB2 SER 96 HB2 SER 96 -1.328 7.490 -5.719 569 HB3 SER 96 HB3 SER 96 -1.638 8.956 -6.654 570 H LYS 97 HN LYS 97 1.528 6.806 -8.777 571 HA LYS 97 HA LYS 97 1.201 4.153 -7.898 572 HB2 LYS 97 HB2 LYS 97 3.225 5.315 -9.821 573 HB3 LYS 97 HB3 LYS 97 2.911 3.602 -9.611 574 HG2 LYS 97 HG2 LYS 97 0.991 5.651 -10.696 575 HG3 LYS 97 HG3 LYS 97 1.865 4.417 -11.605 576 HD2 LYS 97 HD2 LYS 97 0.579 2.938 -9.685 577 HD3 LYS 97 HD3 LYS 97 -0.590 4.213 -10.036 578 HE2 LYS 97 HE2 LYS 97 0.702 2.423 -12.081 579 HE3 LYS 97 HE3 LYS 97 -0.934 2.255 -11.457 580 HZ1 LYS 97 HZ3 LYS 97 -1.095 3.354 -13.513 581 HZ2 LYS 97 HZ1 LYS 97 0.157 4.449 -13.141 582 HZ3 LYS 97 HZ2 LYS 97 -1.337 4.546 -12.333 583 H THR 98 HN THR 98 3.706 6.509 -7.317 584 HA THR 98 HA THR 98 5.460 4.484 -6.149 585 HB THR 98 HB THR 98 6.937 6.678 -5.874 586 HG1 THR 98 HG1 THR 98 6.324 7.869 -7.988 587 HG21 THR 98 HG23 THR 98 6.440 5.312 -8.527 588 HG22 THR 98 HG21 THR 98 7.508 4.718 -7.258 589 HG23 THR 98 HG22 THR 98 7.890 6.221 -8.102 590 H PHE 99 HN PHE 99 2.923 6.108 -5.106 591 HA PHE 99 HA PHE 99 4.026 6.692 -2.469 592 HD1 PHE 99 HD1 PHE 99 3.454 9.018 -1.198 593 HD2 PHE 99 HD2 PHE 99 2.042 8.984 -5.213 594 HE1 PHE 99 HE1 PHE 99 4.357 11.279 -1.551 595 HE2 PHE 99 HE2 PHE 99 2.957 11.234 -5.563 596 HZ PHE 99 HZ PHE 99 4.109 12.391 -3.724 597 HB2 PHE 99 HB2 PHE 99 1.375 7.316 -3.765 598 HB3 PHE 99 HB3 PHE 99 1.618 7.464 -2.026 599 H ILE 100 HN ILE 100 2.487 4.284 -4.232 600 HA ILE 100 HA ILE 100 1.082 3.000 -2.123 601 HB ILE 100 HB ILE 100 2.080 1.682 -4.651 602 HG12 ILE 100 HG12 ILE 100 -0.494 3.236 -4.260 603 HG13 ILE 100 HG13 ILE 100 0.888 3.774 -5.207 604 HG21 ILE 100 HG21 ILE 100 1.248 0.187 -2.957 605 HG22 ILE 100 HG22 ILE 100 -0.254 1.107 -2.843 606 HG23 ILE 100 HG23 ILE 100 0.138 0.232 -4.326 607 HD11 ILE 100 HD13 ILE 100 -0.892 2.902 -6.615 608 HD12 ILE 100 HD11 ILE 100 0.565 1.920 -6.750 609 HD13 ILE 100 HD12 ILE 100 -0.799 1.349 -5.786 610 H ILE 101 HN ILE 101 2.248 2.185 -0.404 611 HA ILE 101 HA ILE 101 5.029 1.408 -0.880 612 HB ILE 101 HB ILE 101 5.279 1.331 1.540 613 HG12 ILE 101 HG12 ILE 101 2.397 2.254 1.664 614 HG13 ILE 101 HG13 ILE 101 2.933 0.623 2.034 615 HG21 ILE 101 HG21 ILE 101 3.986 3.822 0.433 616 HG22 ILE 101 HG22 ILE 101 4.904 3.755 1.938 617 HG23 ILE 101 HG23 ILE 101 5.703 3.407 0.406 618 HD11 ILE 101 HD13 ILE 101 2.548 1.970 4.039 619 HD12 ILE 101 HD11 ILE 101 4.213 1.408 3.894 620 HD13 ILE 101 HD12 ILE 101 3.816 3.085 3.513 621 H GLY 102 HN GLY 102 1.971 -0.083 -0.329 622 HA2 GLY 102 HA1 GLY 102 2.867 -2.645 -0.943 623 HA3 GLY 102 HA2 GLY 102 2.897 -2.520 0.812 624 H GLU 103 HN GLU 103 1.252 -4.219 0.818 625 HA GLU 103 HA GLU 103 -1.408 -3.051 0.384 626 HB2 GLU 103 HB2 GLU 103 -0.653 -5.889 -0.313 627 HB3 GLU 103 HB3 GLU 103 -2.258 -5.178 -0.441 628 HG2 GLU 103 HG2 GLU 103 -1.220 -3.505 -2.056 629 HG3 GLU 103 HG3 GLU 103 0.183 -4.567 -2.076 630 H LEU 104 HN LEU 104 -3.088 -4.792 1.413 631 HA LEU 104 HA LEU 104 -2.431 -4.796 4.204 632 HG LEU 104 HG LEU 104 -4.770 -3.625 2.331 633 HB2 LEU 104 HB2 LEU 104 -4.815 -6.032 2.812 634 HB3 LEU 104 HB3 LEU 104 -4.677 -5.692 4.526 635 HD11 LEU 104 HD11 LEU 104 -6.947 -3.075 3.175 636 HD12 LEU 104 HD12 LEU 104 -6.915 -4.790 2.755 637 HD13 LEU 104 HD13 LEU 104 -6.807 -4.286 4.444 638 HD21 LEU 104 HD23 LEU 104 -4.695 -3.320 5.324 639 HD22 LEU 104 HD21 LEU 104 -3.369 -2.962 4.217 640 HD23 LEU 104 HD22 LEU 104 -4.855 -2.013 4.149 641 H HIS 105 HN HIS 105 -2.850 -6.818 5.551 642 HA HIS 105 HA HIS 105 -1.171 -8.934 4.921 643 HD1 HIS 105 HD1 HIS 105 -3.388 -11.630 7.588 644 HD2 HIS 105 HD2 HIS 105 0.284 -9.775 6.938 645 HE1 HIS 105 HE1 HIS 105 -1.646 -13.210 8.471 646 HE2 HIS 105 HE2 HIS 105 0.552 -12.193 7.814 647 HB2 HIS 105 HB2 HIS 105 -2.487 -8.300 7.117 648 HB3 HIS 105 HB3 HIS 105 -3.663 -9.449 6.494 649 HA PRO 106 HA PRO 106 -2.884 -11.598 1.765 650 HB2 PRO 106 HB2 PRO 106 -2.882 -13.755 3.794 651 HB3 PRO 106 HB3 PRO 106 -2.123 -13.709 2.206 652 HG2 PRO 106 HG2 PRO 106 -0.850 -13.333 4.661 653 HG3 PRO 106 HG3 PRO 106 -0.176 -12.970 3.065 654 HD2 PRO 106 HD2 PRO 106 -0.881 -11.125 5.119 655 HD3 PRO 106 HD3 PRO 106 -0.314 -10.757 3.482 656 H ASP 107 HN ASP 107 -4.343 -11.531 4.948 657 HA ASP 107 HA ASP 107 -6.693 -13.015 4.163 658 HB2 ASP 107 HB2 ASP 107 -6.059 -11.533 6.736 659 HB3 ASP 107 HB3 ASP 107 -7.384 -12.669 6.501 660 H ASP 108 HN ASP 108 -5.753 -9.751 4.931 661 HA ASP 108 HA ASP 108 -8.377 -8.572 4.712 662 HB2 ASP 108 HB2 ASP 108 -5.661 -7.221 4.752 663 HB3 ASP 108 HB3 ASP 108 -7.213 -6.473 5.088 664 H ARG 109 HN ARG 109 -5.846 -9.425 2.636 665 HA ARG 109 HA ARG 109 -5.800 -7.164 0.936 666 HE ARG 109 HE ARG 109 -2.806 -7.399 -2.805 667 HB2 ARG 109 HB2 ARG 109 -3.926 -8.857 1.404 668 HB3 ARG 109 HB3 ARG 109 -4.719 -9.903 0.242 669 HG2 ARG 109 HG2 ARG 109 -3.998 -7.141 -0.611 670 HG3 ARG 109 HG3 ARG 109 -2.725 -8.349 -0.445 671 HD2 ARG 109 HD2 ARG 109 -4.028 -9.856 -1.933 672 HD3 ARG 109 HD3 ARG 109 -5.178 -8.533 -2.187 673 HH11 ARG 109 HH12 ARG 109 -4.368 -10.353 -3.898 674 HH12 ARG 109 HH11 ARG 109 -3.524 -10.360 -5.411 675 HH21 ARG 109 HH22 ARG 109 -1.700 -7.441 -4.769 676 HH22 ARG 109 HH21 ARG 109 -2.009 -8.727 -5.913 677 HA PRO 110 HA PRO 110 -8.807 -9.351 -1.875 678 HB2 PRO 110 HB2 PRO 110 -9.252 -12.002 -1.782 679 HB3 PRO 110 HB3 PRO 110 -7.819 -11.321 -2.566 680 HG2 PRO 110 HG2 PRO 110 -8.024 -12.841 -0.068 681 HG3 PRO 110 HG3 PRO 110 -6.602 -12.501 -1.063 682 HD2 PRO 110 HD2 PRO 110 -7.507 -11.136 1.346 683 HD3 PRO 110 HD3 PRO 110 -5.973 -10.961 0.469 684 H LYS 111 HN LYS 111 -8.929 -9.785 1.407 685 HA LYS 111 HA LYS 111 -10.533 -9.728 2.985 686 HB2 LYS 111 HB2 LYS 111 -12.351 -9.396 0.622 687 HB3 LYS 111 HB3 LYS 111 -12.956 -9.447 2.266 688 HG2 LYS 111 HG2 LYS 111 -11.528 -7.493 2.786 689 HG3 LYS 111 HG3 LYS 111 -11.087 -7.401 1.080 690 HD2 LYS 111 HD2 LYS 111 -13.902 -7.268 2.142 691 HD3 LYS 111 HD3 LYS 111 -12.932 -5.866 1.700 692 HE2 LYS 111 HE2 LYS 111 -12.808 -6.614 -0.588 693 HE3 LYS 111 HE3 LYS 111 -13.665 -8.103 -0.173 694 HZ1 LYS 111 HZ3 LYS 111 -14.811 -5.389 0.172 695 HZ2 LYS 111 HZ1 LYS 111 -15.616 -6.877 0.289 696 HZ3 LYS 111 HZ2 LYS 111 -15.050 -6.339 -1.214 697 H LEU 112 HN LEU 112 -10.357 -11.695 3.923 698 HA LEU 112 HA LEU 112 -11.037 -13.746 4.629 699 HG LEU 112 HG LEU 112 -13.457 -15.542 3.853 700 HB2 LEU 112 HB2 LEU 112 -13.270 -12.593 4.470 701 HB3 LEU 112 HB3 LEU 112 -13.463 -13.310 2.885 702 HD11 LEU 112 HD11 LEU 112 -13.170 -14.140 6.505 703 HD12 LEU 112 HD12 LEU 112 -13.478 -15.861 6.280 704 HD13 LEU 112 HD13 LEU 112 -11.955 -15.159 5.730 705 HD21 LEU 112 HD23 LEU 112 -15.334 -13.602 5.166 706 HD22 LEU 112 HD21 LEU 112 -15.587 -14.468 3.649 707 HD23 LEU 112 HD22 LEU 112 -15.543 -15.351 5.175 708 H ASN 113 HN ASN 113 -9.161 -14.166 3.085 709 HA ASN 113 HA ASN 113 -8.100 -15.747 1.873 710 HB2 ASN 113 HB2 ASN 113 -10.822 -17.050 1.819 711 HB3 ASN 113 HB3 ASN 113 -9.403 -17.774 1.069 712 HD21 ASN 113 HD21 ASN 113 -7.579 -16.853 3.141 713 HD22 ASN 113 HD22 ASN 113 -7.887 -17.855 4.509 714 H LYS 114 HN LYS 114 -8.383 -16.973 -0.441 715 HA LYS 114 HA LYS 114 -9.421 -14.996 -2.327 716 HB2 LYS 114 HB2 LYS 114 -7.268 -15.036 -3.549 717 HB3 LYS 114 HB3 LYS 114 -7.104 -14.369 -1.933 718 HG2 LYS 114 HG2 LYS 114 -6.266 -16.590 -1.176 719 HG3 LYS 114 HG3 LYS 114 -6.304 -17.110 -2.861 720 HD2 LYS 114 HD2 LYS 114 -4.770 -15.203 -3.410 721 HD3 LYS 114 HD3 LYS 114 -4.630 -14.906 -1.674 722 HE2 LYS 114 HE2 LYS 114 -3.809 -17.211 -1.363 723 HE3 LYS 114 HE3 LYS 114 -3.909 -17.468 -3.104 724 HZ1 LYS 114 HZ3 LYS 114 -1.743 -16.881 -2.927 725 HZ2 LYS 114 HZ1 LYS 114 -1.982 -15.912 -1.559 726 HZ3 LYS 114 HZ2 LYS 114 -2.399 -15.331 -3.091 727 HA PRO 115 HA PRO 115 -10.162 -18.827 -4.543 728 HB2 PRO 115 HB2 PRO 115 -11.920 -17.863 -6.298 729 HB3 PRO 115 HB3 PRO 115 -12.346 -18.045 -4.594 730 HG2 PRO 115 HG2 PRO 115 -11.651 -15.570 -6.118 731 HG3 PRO 115 HG3 PRO 115 -12.807 -15.789 -4.792 732 HD2 PRO 115 HD2 PRO 115 -10.178 -14.802 -4.570 733 HD3 PRO 115 HD3 PRO 115 -11.232 -15.312 -3.242 734 HA PRO 116 HA PRO 116 -7.457 -17.965 -8.066 735 HB2 PRO 116 HB2 PRO 116 -7.070 -20.741 -8.449 736 HB3 PRO 116 HB3 PRO 116 -5.982 -19.621 -7.632 737 HG2 PRO 116 HG2 PRO 116 -7.394 -21.721 -6.436 738 HG3 PRO 116 HG3 PRO 116 -6.599 -20.374 -5.600 739 HD2 PRO 116 HD2 PRO 116 -9.482 -20.763 -6.255 740 HD3 PRO 116 HD3 PRO 116 -8.731 -19.952 -4.866 741 H GLU 117 HN GLU 117 -9.291 -21.020 -8.329 742 HA GLU 117 HA GLU 117 -10.522 -20.016 -10.796 743 HB2 GLU 117 HB2 GLU 117 -9.038 -22.610 -10.369 744 HB3 GLU 117 HB3 GLU 117 -10.243 -22.424 -11.642 745 HG2 GLU 117 HG2 GLU 117 -8.959 -20.998 -12.857 746 HG3 GLU 117 HG3 GLU 117 -8.102 -20.389 -11.443 747 H THR 118 HN THR 118 -12.642 -19.935 -10.257 748 HA THR 118 HA THR 118 -14.668 -20.428 -9.406 749 HB THR 118 HB THR 118 -13.839 -23.302 -9.857 750 HG1 THR 118 HG1 THR 118 -15.213 -22.692 -11.866 751 HG21 THR 118 HG23 THR 118 -16.270 -23.638 -10.189 752 HG22 THR 118 HG21 THR 118 -16.545 -21.964 -9.711 753 HG23 THR 118 HG22 THR 118 -15.875 -23.111 -8.556 754 H LEU 119 HN LEU 119 -13.470 -19.619 -7.422 755 HA LEU 119 HA LEU 119 -13.193 -19.590 -5.196 756 HG LEU 119 HG LEU 119 -16.743 -19.976 -4.280 757 HB2 LEU 119 HB2 LEU 119 -15.361 -21.632 -5.439 758 HB3 LEU 119 HB3 LEU 119 -14.699 -21.197 -3.875 759 HD11 LEU 119 HD11 LEU 119 -15.147 -18.822 -2.972 760 HD12 LEU 119 HD12 LEU 119 -14.288 -18.261 -4.407 761 HD13 LEU 119 HD13 LEU 119 -15.906 -17.658 -4.052 762 HD21 LEU 119 HD23 LEU 119 -15.393 -18.912 -6.757 763 HD22 LEU 119 HD21 LEU 119 -16.808 -19.970 -6.692 764 HD23 LEU 119 HD22 LEU 119 -16.915 -18.317 -6.088 765 H ILE 120 HN ILE 120 -13.944 -22.934 -4.745 766 HA ILE 120 HA ILE 120 -11.518 -24.173 -5.049 767 HB ILE 120 HB ILE 120 -10.516 -22.571 -3.489 768 HG12 ILE 120 HG12 ILE 120 -9.973 -25.152 -3.420 769 HG13 ILE 120 HG13 ILE 120 -9.280 -24.069 -2.218 770 HG21 ILE 120 HG21 ILE 120 -11.233 -22.558 -1.087 771 HG22 ILE 120 HG22 ILE 120 -12.395 -21.853 -2.219 772 HG23 ILE 120 HG23 ILE 120 -12.658 -23.475 -1.574 773 HD11 ILE 120 HD13 ILE 120 -11.021 -24.745 -0.632 774 HD12 ILE 120 HD11 ILE 120 -11.683 -25.845 -1.838 775 HD13 ILE 120 HD12 ILE 120 -10.066 -26.120 -1.189 776 H THR 121 HN THR 121 -14.220 -23.747 -2.833 777 HA THR 121 HA THR 121 -14.335 -26.547 -2.140 778 HB THR 121 HB THR 121 -16.531 -25.716 -1.030 779 HG1 THR 121 HG1 THR 121 -16.946 -23.707 -1.679 780 HG21 THR 121 HG23 THR 121 -14.501 -26.245 0.210 781 HG22 THR 121 HG21 THR 121 -15.277 -24.804 0.866 782 HG23 THR 121 HG22 THR 121 -13.845 -24.644 -0.152 783 H THR 122 HN THR 122 -14.701 -27.590 -4.086 784 HA THR 122 HA THR 122 -17.054 -26.962 -5.667 785 HB THR 122 HB THR 122 -15.157 -29.264 -6.101 786 HG1 THR 122 HG1 THR 122 -14.710 -26.567 -6.338 787 HG21 THR 122 HG23 THR 122 -15.827 -28.928 -8.467 788 HG22 THR 122 HG21 THR 122 -16.938 -27.664 -7.952 789 HG23 THR 122 HG22 THR 122 -17.199 -29.330 -7.440 790 H ILE 123 HN ILE 123 -18.965 -27.792 -5.152 791 HA ILE 123 HA ILE 123 -19.167 -30.276 -3.636 792 HB ILE 123 HB ILE 123 -21.417 -28.536 -4.655 793 HG12 ILE 123 HG12 ILE 123 -19.988 -28.434 -1.983 794 HG13 ILE 123 HG13 ILE 123 -19.930 -27.199 -3.240 795 HG21 ILE 123 HG21 ILE 123 -21.296 -30.616 -2.473 796 HG22 ILE 123 HG22 ILE 123 -22.689 -29.599 -2.832 797 HG23 ILE 123 HG23 ILE 123 -22.126 -30.769 -4.025 798 HD11 ILE 123 HD13 ILE 123 -22.304 -26.777 -2.940 799 HD12 ILE 123 HD11 ILE 123 -22.383 -28.025 -1.697 800 HD13 ILE 123 HD12 ILE 123 -21.425 -26.566 -1.427 801 H ASP 124 HN ASP 124 -19.014 -29.233 -6.791 802 HA ASP 124 HA ASP 124 -20.659 -31.253 -8.041 803 HB2 ASP 124 HB2 ASP 124 -20.247 -28.987 -9.040 804 HB3 ASP 124 HB3 ASP 124 -18.562 -29.436 -9.270 805 H SER 125 HN SER 125 -19.228 -32.626 -6.402 806 HA SER 125 HA SER 125 -17.726 -34.269 -6.033 807 HG SER 125 HG SER 125 -19.421 -34.677 -8.637 808 HB2 SER 125 HB2 SER 125 -17.272 -34.245 -9.026 809 HB3 SER 125 HB3 SER 125 -16.821 -35.530 -7.904 810 H SER 126 HN SER 126 -15.264 -34.830 -6.319 811 HA SER 126 HA SER 126 -13.708 -32.472 -5.982 812 HG SER 126 HG SER 126 -12.609 -36.380 -5.919 813 HB2 SER 126 HB2 SER 126 -11.781 -34.190 -6.247 814 HB3 SER 126 HB3 SER 126 -12.882 -34.409 -4.885 815 H SER 127 HN SER 127 -13.839 -34.930 -8.498 816 HA SER 127 HA SER 127 -13.921 -33.087 -10.652 817 HG SER 127 HG SER 127 -11.397 -35.709 -10.571 818 HB2 SER 127 HB2 SER 127 -11.781 -33.804 -11.729 819 HB3 SER 127 HB3 SER 127 -11.523 -32.889 -10.243 820 H SER 128 HN SER 128 -13.944 -34.343 -12.775 821 HA SER 128 HA SER 128 -15.281 -36.897 -12.297 822 HG SER 128 HG SER 128 -15.630 -37.618 -14.885 823 HB2 SER 128 HB2 SER 128 -16.411 -35.181 -13.694 824 HB3 SER 128 HB3 SER 128 -15.081 -35.260 -14.847 825 HHA HEM 129 HHA HEM 129 -6.404 17.331 -6.515 826 HHB HEM 129 HHB HEM 129 -2.076 12.592 -5.963 827 HHC HEM 129 HHC HEM 129 -5.097 10.492 -0.699 828 HHD HEM 129 HHD HEM 129 -9.673 14.970 -1.502 829 HAB HEM 129 HAB HEM 129 -2.271 9.844 -0.655 830 HAC HEM 129 HAC HEM 129 -10.528 13.161 0.097 831 HMA1 HEM 129 HMA1 HEM 129 -1.840 15.611 -8.409 832 HMA2 HEM 129 HMA2 HEM 129 -1.075 14.869 -7.001 833 HMA3 HEM 129 HMA3 HEM 129 -1.885 13.861 -8.216 834 HAA1 HEM 129 HAA1 HEM 129 -3.985 17.816 -8.086 835 HAA2 HEM 129 HAA2 HEM 129 -3.385 16.565 -8.650 836 HBA1 HEM 129 HBA1 HEM 129 -4.087 16.171 -10.286 837 HBA2 HEM 129 HBA2 HEM 129 -5.496 17.225 -10.050 838 HMB1 HEM 129 HMB1 HEM 129 -0.198 11.215 -3.821 839 HMB2 HEM 129 HMB2 HEM 129 -1.090 9.931 -4.873 840 HMB3 HEM 129 HMB3 HEM 129 -0.986 10.036 -3.354 841 HBB1 HEM 129 HBB1 HEM 129 -3.407 8.041 -2.828 842 HBB2 HEM 129 HBB2 HEM 129 -2.332 7.571 -1.374 843 HMC1 HEM 129 HMC1 HEM 129 -6.301 10.471 1.050 844 HMC2 HEM 129 HMC2 HEM 129 -7.799 11.101 1.748 845 HMC3 HEM 129 HMC3 HEM 129 -7.827 9.864 0.445 846 HBC1 HEM 129 HBC1 HEM 129 -10.403 13.278 2.470 847 HBC2 HEM 129 HBC2 HEM 129 -8.564 13.048 2.439 848 HMD1 HEM 129 HMD1 HEM 129 -10.768 16.693 -2.057 849 HMD2 HEM 129 HMD2 HEM 129 -10.893 17.983 -3.413 850 HMD3 HEM 129 HMD3 HEM 129 -9.785 17.798 -2.396 851 HAD1 HEM 129 HAD1 HEM 129 -8.393 19.136 -5.471 852 HAD2 HEM 129 HAD2 HEM 129 -8.088 17.914 -6.301 853 HBD1 HEM 129 HBD1 HEM 129 -10.260 19.002 -7.020 854 HBD2 HEM 129 HBD2 HEM 129 -10.723 17.402 -6.407 Start of MODEL 15 1 HA MET 21 HA MET 21 15.444 -4.024 -6.213 2 H1 MET 21 1H MET 21 14.004 -3.575 -4.517 3 HB2 MET 21 HB2 MET 21 17.028 -4.702 -4.500 4 HB3 MET 21 HB3 MET 21 16.292 -6.291 -4.407 5 HG2 MET 21 HG2 MET 21 16.993 -6.701 -6.749 6 HG3 MET 21 HG3 MET 21 17.840 -5.152 -6.725 7 HE1 MET 21 HE3 MET 21 20.181 -6.394 -7.379 8 HE2 MET 21 HE1 MET 21 20.706 -7.867 -6.563 9 HE3 MET 21 HE2 MET 21 19.207 -7.863 -7.490 10 H ALA 22 HN ALA 22 14.732 -7.285 -5.107 11 HA ALA 22 HA ALA 22 12.845 -8.037 -7.011 12 HB1 ALA 22 HB3 ALA 22 14.218 -9.420 -8.532 13 HB2 ALA 22 HB1 ALA 22 14.559 -7.695 -8.696 14 HB3 ALA 22 HB2 ALA 22 15.677 -8.735 -7.812 15 H GLU 23 HN GLU 23 15.122 -8.551 -4.625 16 HA GLU 23 HA GLU 23 15.503 -10.081 -3.043 17 HB2 GLU 23 HB2 GLU 23 12.960 -9.822 -2.889 18 HB3 GLU 23 HB3 GLU 23 12.863 -11.355 -3.753 19 HG2 GLU 23 HG2 GLU 23 12.660 -11.600 -1.313 20 HG3 GLU 23 HG3 GLU 23 14.035 -12.481 -1.980 21 H GLN 24 HN GLN 24 13.616 -12.553 -4.533 22 HA GLN 24 HA GLN 24 14.986 -13.555 -6.605 23 HB2 GLN 24 HB2 GLN 24 17.028 -13.592 -5.109 24 HB3 GLN 24 HB3 GLN 24 16.235 -14.852 -4.171 25 HG2 GLN 24 HG2 GLN 24 17.690 -15.949 -5.683 26 HG3 GLN 24 HG3 GLN 24 16.055 -16.167 -6.308 27 HE21 GLN 24 HE21 GLN 24 15.411 -15.055 -8.147 28 HE22 GLN 24 HE22 GLN 24 16.548 -14.335 -9.232 29 H SER 25 HN SER 25 13.628 -14.296 -3.536 30 HA SER 25 HA SER 25 13.160 -17.048 -3.807 31 HG SER 25 HG SER 25 10.917 -14.761 -1.579 32 HB2 SER 25 HB2 SER 25 11.688 -16.700 -1.799 33 HB3 SER 25 HB3 SER 25 13.321 -16.060 -1.625 34 H ASP 26 HN ASP 26 10.730 -14.442 -3.671 35 HA ASP 26 HA ASP 26 9.096 -15.890 -5.587 36 HB2 ASP 26 HB2 ASP 26 7.179 -16.058 -4.049 37 HB3 ASP 26 HB3 ASP 26 8.557 -16.991 -3.478 38 H GLU 27 HN GLU 27 10.260 -13.047 -4.627 39 HA GLU 27 HA GLU 27 9.761 -10.865 -4.920 40 HB2 GLU 27 HB2 GLU 27 9.074 -11.433 -7.168 41 HB3 GLU 27 HB3 GLU 27 7.496 -11.955 -6.597 42 HG2 GLU 27 HG2 GLU 27 7.179 -9.826 -7.540 43 HG3 GLU 27 HG3 GLU 27 7.153 -9.587 -5.794 44 H ALA 28 HN ALA 28 6.532 -12.338 -4.758 45 HA ALA 28 HA ALA 28 4.755 -12.056 -3.388 46 HB1 ALA 28 HB3 ALA 28 5.165 -11.666 -1.013 47 HB2 ALA 28 HB1 ALA 28 6.283 -12.861 -1.664 48 HB3 ALA 28 HB2 ALA 28 6.834 -11.213 -1.369 49 H VAL 29 HN VAL 29 3.824 -10.353 -1.714 50 HA VAL 29 HA VAL 29 4.420 -7.642 -2.671 51 HB VAL 29 HB VAL 29 1.643 -8.615 -1.942 52 HG11 VAL 29 HG11 VAL 29 2.556 -6.114 -3.357 53 HG12 VAL 29 HG12 VAL 29 0.888 -6.552 -2.986 54 HG13 VAL 29 HG13 VAL 29 2.026 -6.216 -1.678 55 HG21 VAL 29 HG23 VAL 29 1.123 -8.577 -4.355 56 HG22 VAL 29 HG21 VAL 29 2.831 -8.301 -4.698 57 HG23 VAL 29 HG22 VAL 29 2.319 -9.805 -3.938 58 H LYS 30 HN LYS 30 5.101 -6.445 -0.954 59 HA LYS 30 HA LYS 30 5.001 -7.433 1.672 60 HB2 LYS 30 HB2 LYS 30 5.398 -4.554 0.840 61 HB3 LYS 30 HB3 LYS 30 5.768 -5.238 2.417 62 HG2 LYS 30 HG2 LYS 30 7.380 -6.777 1.234 63 HG3 LYS 30 HG3 LYS 30 7.137 -5.780 -0.199 64 HD2 LYS 30 HD2 LYS 30 9.099 -4.996 0.957 65 HD3 LYS 30 HD3 LYS 30 7.819 -3.792 1.131 66 HE2 LYS 30 HE2 LYS 30 7.290 -4.715 3.356 67 HE3 LYS 30 HE3 LYS 30 8.617 -5.860 3.181 68 HZ1 LYS 30 HZ3 LYS 30 8.903 -2.899 3.204 69 HZ2 LYS 30 HZ1 LYS 30 10.164 -4.019 3.091 70 HZ3 LYS 30 HZ2 LYS 30 9.244 -3.931 4.507 71 H TYR 31 HN TYR 31 3.341 -7.637 2.939 72 HA TYR 31 HA TYR 31 1.027 -5.891 2.552 73 HD1 TYR 31 HD2 TYR 31 -0.525 -7.178 1.177 74 HD2 TYR 31 HD1 TYR 31 1.539 -10.381 3.065 75 HE1 TYR 31 HE2 TYR 31 -0.858 -8.560 -0.824 76 HE2 TYR 31 HE1 TYR 31 1.217 -11.777 1.065 77 HH TYR 31 HH TYR 31 -0.224 -10.436 -1.883 78 HB2 TYR 31 HB2 TYR 31 1.232 -8.401 4.225 79 HB3 TYR 31 HB3 TYR 31 -0.237 -7.511 3.848 80 H TYR 32 HN TYR 32 -0.019 -4.955 4.371 81 HA TYR 32 HA TYR 32 1.414 -5.059 6.921 82 HD1 TYR 32 HD1 TYR 32 3.118 -3.098 8.011 83 HD2 TYR 32 HD2 TYR 32 2.174 -2.366 3.929 84 HE1 TYR 32 HE1 TYR 32 5.484 -2.611 7.559 85 HE2 TYR 32 HE2 TYR 32 4.542 -1.874 3.466 86 HH TYR 32 HH TYR 32 6.543 -1.216 4.603 87 HB2 TYR 32 HB2 TYR 32 0.430 -2.563 5.524 88 HB3 TYR 32 HB3 TYR 32 0.778 -2.609 7.251 89 H THR 33 HN THR 33 -0.005 -4.893 8.756 90 HA THR 33 HA THR 33 -2.616 -5.955 8.116 91 HB THR 33 HB THR 33 -2.925 -6.063 10.593 92 HG1 THR 33 HG1 THR 33 -0.249 -5.044 10.606 93 HG21 THR 33 HG23 THR 33 -0.343 -7.261 9.575 94 HG22 THR 33 HG21 THR 33 -1.955 -7.947 9.350 95 HG23 THR 33 HG22 THR 33 -1.266 -7.817 10.969 96 H LEU 34 HN LEU 34 -4.641 -5.030 8.940 97 HA LEU 34 HA LEU 34 -5.001 -2.303 8.488 98 HG LEU 34 HG LEU 34 -7.116 -1.667 10.671 99 HB2 LEU 34 HB2 LEU 34 -6.875 -3.889 8.631 100 HB3 LEU 34 HB3 LEU 34 -6.576 -4.112 10.340 101 HD11 LEU 34 HD11 LEU 34 -8.308 -0.506 8.925 102 HD12 LEU 34 HD12 LEU 34 -6.714 -0.980 8.336 103 HD13 LEU 34 HD13 LEU 34 -8.144 -1.889 7.846 104 HD21 LEU 34 HD23 LEU 34 -9.292 -3.375 9.469 105 HD22 LEU 34 HD21 LEU 34 -8.715 -3.480 11.133 106 HD23 LEU 34 HD22 LEU 34 -9.513 -2.013 10.568 107 H GLU 35 HN GLU 35 -4.258 -4.066 11.403 108 HA GLU 35 HA GLU 35 -4.791 -2.162 13.327 109 HB2 GLU 35 HB2 GLU 35 -4.363 -4.582 13.672 110 HB3 GLU 35 HB3 GLU 35 -2.649 -4.285 13.415 111 HG2 GLU 35 HG2 GLU 35 -3.750 -2.536 15.436 112 HG3 GLU 35 HG3 GLU 35 -4.022 -4.234 15.814 113 H GLU 36 HN GLU 36 -1.775 -2.728 11.566 114 HA GLU 36 HA GLU 36 -0.344 -0.841 13.216 115 HB2 GLU 36 HB2 GLU 36 1.606 -1.499 11.930 116 HB3 GLU 36 HB3 GLU 36 0.704 -2.919 12.433 117 HG2 GLU 36 HG2 GLU 36 -0.336 -2.956 10.159 118 HG3 GLU 36 HG3 GLU 36 0.802 -1.693 9.697 119 H ILE 37 HN ILE 37 -2.042 -0.812 10.251 120 HA ILE 37 HA ILE 37 -0.891 1.680 9.296 121 HB ILE 37 HB ILE 37 -3.253 0.076 8.278 122 HG12 ILE 37 HG12 ILE 37 -0.451 0.331 7.156 123 HG13 ILE 37 HG13 ILE 37 -1.022 -1.040 8.093 124 HG21 ILE 37 HG21 ILE 37 -1.825 2.426 7.044 125 HG22 ILE 37 HG22 ILE 37 -3.082 1.465 6.264 126 HG23 ILE 37 HG23 ILE 37 -3.464 2.419 7.696 127 HD11 ILE 37 HD13 ILE 37 -1.051 -1.565 5.743 128 HD12 ILE 37 HD11 ILE 37 -2.705 -1.499 6.358 129 HD13 ILE 37 HD12 ILE 37 -2.061 -0.158 5.411 130 H GLN 38 HN GLN 38 -3.690 0.494 10.994 131 HA GLN 38 HA GLN 38 -5.214 2.869 11.099 132 HB2 GLN 38 HB2 GLN 38 -5.949 0.520 11.738 133 HB3 GLN 38 HB3 GLN 38 -5.025 0.715 13.221 134 HG2 GLN 38 HG2 GLN 38 -7.333 1.140 13.675 135 HG3 GLN 38 HG3 GLN 38 -6.443 2.658 13.801 136 HE21 GLN 38 HE21 GLN 38 -6.687 4.208 12.144 137 HE22 GLN 38 HE22 GLN 38 -8.059 4.192 11.094 138 H LYS 39 HN LYS 39 -2.302 1.892 12.519 139 HA LYS 39 HA LYS 39 -2.506 3.667 14.824 140 HB2 LYS 39 HB2 LYS 39 -1.731 1.183 14.791 141 HB3 LYS 39 HB3 LYS 39 -0.218 1.838 14.181 142 HG2 LYS 39 HG2 LYS 39 0.259 2.920 16.170 143 HG3 LYS 39 HG3 LYS 39 -1.428 2.900 16.701 144 HD2 LYS 39 HD2 LYS 39 0.363 0.484 16.426 145 HD3 LYS 39 HD3 LYS 39 -0.065 1.277 17.944 146 HE2 LYS 39 HE2 LYS 39 -2.402 0.725 17.618 147 HE3 LYS 39 HE3 LYS 39 -2.056 0.053 16.029 148 HZ1 LYS 39 HZ3 LYS 39 -0.928 -1.753 16.972 149 HZ2 LYS 39 HZ1 LYS 39 -2.331 -1.581 17.902 150 HZ3 LYS 39 HZ2 LYS 39 -0.851 -1.028 18.510 151 H HIS 40 HN HIS 40 -1.497 3.741 11.686 152 HA HIS 40 HA HIS 40 0.584 5.755 12.211 153 HD1 HIS 40 HD1 HIS 40 1.975 2.067 9.860 154 HD2 HIS 40 HD2 HIS 40 2.830 5.131 12.523 155 HE1 HIS 40 HE1 HIS 40 4.064 1.351 11.066 156 HE2 HIS 40 HE2 HIS 40 4.687 3.324 12.500 157 HB2 HIS 40 HB2 HIS 40 0.185 3.850 9.902 158 HB3 HIS 40 HB3 HIS 40 1.148 5.307 9.719 159 H ASN 41 HN ASN 41 -2.076 6.383 12.488 160 HA ASN 41 HA ASN 41 -2.949 7.763 10.036 161 HB2 ASN 41 HB2 ASN 41 -5.149 7.760 11.076 162 HB3 ASN 41 HB3 ASN 41 -4.482 6.132 11.153 163 HD21 ASN 41 HD21 ASN 41 -6.534 7.401 12.822 164 HD22 ASN 41 HD22 ASN 41 -5.957 7.300 14.448 165 H HIS 42 HN HIS 42 -0.845 8.761 11.880 166 HA HIS 42 HA HIS 42 -2.169 11.132 12.973 167 HD1 HIS 42 HD1 HIS 42 1.213 9.317 13.111 168 HD2 HIS 42 HD2 HIS 42 -0.754 7.777 16.432 169 HE1 HIS 42 HE1 HIS 42 2.649 7.415 13.919 170 HE2 HIS 42 HE2 HIS 42 1.366 6.415 15.850 171 HB2 HIS 42 HB2 HIS 42 -0.862 10.860 15.092 172 HB3 HIS 42 HB3 HIS 42 -2.102 9.638 14.845 173 H SER 43 HN SER 43 -0.058 12.246 14.298 174 HA SER 43 HA SER 43 1.081 13.775 12.296 175 HG SER 43 HG SER 43 1.047 13.101 15.964 176 HB2 SER 43 HB2 SER 43 2.550 14.624 14.179 177 HB3 SER 43 HB3 SER 43 0.819 14.634 14.502 178 H LYS 44 HN LYS 44 2.829 11.487 14.385 179 HA LYS 44 HA LYS 44 5.373 11.805 13.396 180 HB2 LYS 44 HB2 LYS 44 3.998 9.728 14.961 181 HB3 LYS 44 HB3 LYS 44 5.453 9.192 14.138 182 HG2 LYS 44 HG2 LYS 44 6.031 9.887 16.346 183 HG3 LYS 44 HG3 LYS 44 6.684 11.055 15.200 184 HD2 LYS 44 HD2 LYS 44 4.766 12.528 15.644 185 HD3 LYS 44 HD3 LYS 44 4.165 11.368 16.829 186 HE2 LYS 44 HE2 LYS 44 6.349 11.619 18.040 187 HE3 LYS 44 HE3 LYS 44 6.732 12.937 16.938 188 HZ1 LYS 44 HZ3 LYS 44 4.929 14.209 17.758 189 HZ2 LYS 44 HZ1 LYS 44 5.765 13.618 19.114 190 HZ3 LYS 44 HZ2 LYS 44 4.305 12.898 18.634 191 H SER 45 HN SER 45 2.806 9.937 12.025 192 HA SER 45 HA SER 45 4.159 9.672 9.566 193 HG SER 45 HG SER 45 4.777 7.573 8.504 194 HB2 SER 45 HB2 SER 45 5.313 7.831 10.758 195 HB3 SER 45 HB3 SER 45 3.757 7.093 11.113 196 H THR 46 HN THR 46 2.667 9.417 7.945 197 HA THR 46 HA THR 46 -0.072 8.794 8.820 198 HB THR 46 HB THR 46 0.669 10.763 6.651 199 HG1 THR 46 HG1 THR 46 0.293 11.062 9.425 200 HG21 THR 46 HG23 THR 46 -1.940 10.129 8.036 201 HG22 THR 46 HG21 THR 46 -1.534 9.796 6.354 202 HG23 THR 46 HG22 THR 46 -1.697 11.462 6.911 203 H TRP 47 HN TRP 47 -0.485 6.822 8.051 204 HA TRP 47 HA TRP 47 0.075 6.289 5.208 205 HD1 TRP 47 HD1 TRP 47 2.235 6.344 6.036 206 HE1 TRP 47 HE1 TRP 47 4.532 5.279 6.444 207 HE3 TRP 47 HE3 TRP 47 0.706 1.675 7.442 208 HZ2 TRP 47 HZ2 TRP 47 5.560 2.788 7.280 209 HZ3 TRP 47 HZ3 TRP 47 2.413 0.006 8.036 210 HH2 TRP 47 HH2 TRP 47 4.791 0.552 7.954 211 HB2 TRP 47 HB2 TRP 47 -0.431 4.356 7.479 212 HB3 TRP 47 HB3 TRP 47 -0.375 3.880 5.787 213 H LEU 48 HN LEU 48 -1.616 5.800 3.867 214 HA LEU 48 HA LEU 48 -4.257 5.509 5.125 215 HG LEU 48 HG LEU 48 -3.604 6.356 1.596 216 HB2 LEU 48 HB2 LEU 48 -5.314 6.875 3.470 217 HB3 LEU 48 HB3 LEU 48 -4.017 7.800 4.198 218 HD11 LEU 48 HD11 LEU 48 -4.181 8.409 0.433 219 HD12 LEU 48 HD12 LEU 48 -5.565 7.787 1.327 220 HD13 LEU 48 HD13 LEU 48 -4.653 9.155 1.959 221 HD21 LEU 48 HD23 LEU 48 -1.881 8.035 1.279 222 HD22 LEU 48 HD21 LEU 48 -2.327 8.807 2.802 223 HD23 LEU 48 HD22 LEU 48 -1.634 7.185 2.807 224 H ILE 49 HN ILE 49 -5.863 4.797 3.274 225 HA ILE 49 HA ILE 49 -4.523 3.006 1.379 226 HB ILE 49 HB ILE 49 -6.997 2.143 2.887 227 HG12 ILE 49 HG12 ILE 49 -4.131 1.433 3.582 228 HG13 ILE 49 HG13 ILE 49 -5.163 2.509 4.518 229 HG21 ILE 49 HG21 ILE 49 -6.590 0.970 0.819 230 HG22 ILE 49 HG22 ILE 49 -4.923 0.639 1.292 231 HG23 ILE 49 HG23 ILE 49 -6.253 -0.106 2.175 232 HD11 ILE 49 HD13 ILE 49 -6.701 0.652 4.935 233 HD12 ILE 49 HD11 ILE 49 -5.639 -0.420 4.022 234 HD13 ILE 49 HD12 ILE 49 -5.073 0.311 5.524 235 H LEU 50 HN LEU 50 -5.828 2.671 -0.559 236 HA LEU 50 HA LEU 50 -8.178 4.433 -0.737 237 HG LEU 50 HG LEU 50 -5.975 6.254 -0.723 238 HB2 LEU 50 HB2 LEU 50 -5.718 4.501 -2.424 239 HB3 LEU 50 HB3 LEU 50 -7.259 4.956 -3.126 240 HD11 LEU 50 HD11 LEU 50 -6.340 7.255 -3.545 241 HD12 LEU 50 HD12 LEU 50 -5.673 8.176 -2.195 242 HD13 LEU 50 HD13 LEU 50 -4.813 6.764 -2.812 243 HD21 LEU 50 HD23 LEU 50 -8.434 6.250 -0.632 244 HD22 LEU 50 HD21 LEU 50 -7.780 7.871 -0.869 245 HD23 LEU 50 HD22 LEU 50 -8.481 6.996 -2.229 246 H HIS 51 HN HIS 51 -6.829 1.472 -1.343 247 HA HIS 51 HA HIS 51 -9.077 0.305 -2.439 248 HD1 HIS 51 HD1 HIS 51 -5.892 -0.517 -5.713 249 HD2 HIS 51 HD2 HIS 51 -6.624 3.323 -4.296 250 HE1 HIS 51 HE1 HIS 51 -3.899 0.853 -6.407 251 HE2 HIS 51 HE2 HIS 51 -4.272 3.118 -5.363 252 HB2 HIS 51 HB2 HIS 51 -8.189 -0.256 -4.755 253 HB3 HIS 51 HB3 HIS 51 -8.767 1.383 -4.532 254 H HIS 52 HN HIS 52 -7.742 -0.497 -0.415 255 HA HIS 52 HA HIS 52 -6.891 -2.400 0.527 256 HD1 HIS 52 HD1 HIS 52 -8.386 -4.639 -3.349 257 HD2 HIS 52 HD2 HIS 52 -9.239 -3.266 0.490 258 HE1 HIS 52 HE1 HIS 52 -10.877 -4.904 -3.071 259 HE2 HIS 52 HE2 HIS 52 -11.380 -3.989 -0.773 260 HB2 HIS 52 HB2 HIS 52 -6.463 -3.408 -2.287 261 HB3 HIS 52 HB3 HIS 52 -6.355 -4.370 -0.819 262 H LYS 53 HN LYS 53 -5.096 -0.599 -1.791 263 HA LYS 53 HA LYS 53 -2.563 -1.698 -0.845 264 HB2 LYS 53 HB2 LYS 53 -3.069 0.388 -2.979 265 HB3 LYS 53 HB3 LYS 53 -1.509 -0.319 -2.581 266 HG2 LYS 53 HG2 LYS 53 -2.351 -2.515 -3.249 267 HG3 LYS 53 HG3 LYS 53 -3.882 -1.776 -3.718 268 HD2 LYS 53 HD2 LYS 53 -2.870 -1.715 -5.747 269 HD3 LYS 53 HD3 LYS 53 -2.165 -0.232 -5.101 270 HE2 LYS 53 HE2 LYS 53 -0.388 -1.512 -6.030 271 HE3 LYS 53 HE3 LYS 53 -0.244 -1.615 -4.278 272 HZ1 LYS 53 HZ3 LYS 53 -1.565 -3.770 -4.516 273 HZ2 LYS 53 HZ1 LYS 53 0.056 -3.782 -5.022 274 HZ3 LYS 53 HZ2 LYS 53 -1.178 -3.681 -6.167 275 H VAL 54 HN VAL 54 -1.305 -0.685 0.606 276 HA VAL 54 HA VAL 54 -2.379 1.680 1.896 277 HB VAL 54 HB VAL 54 -1.557 -0.085 3.341 278 HG11 VAL 54 HG11 VAL 54 0.077 -1.119 1.918 279 HG12 VAL 54 HG12 VAL 54 1.096 0.319 1.980 280 HG13 VAL 54 HG13 VAL 54 0.848 -0.647 3.435 281 HG21 VAL 54 HG23 VAL 54 0.254 2.328 3.439 282 HG22 VAL 54 HG21 VAL 54 -1.338 2.180 4.189 283 HG23 VAL 54 HG22 VAL 54 0.001 1.184 4.756 284 H TYR 55 HN TYR 55 -1.507 3.678 1.894 285 HA TYR 55 HA TYR 55 0.861 4.125 0.188 286 HD1 TYR 55 HD2 TYR 55 -2.570 3.624 -0.482 287 HD2 TYR 55 HD1 TYR 55 -0.119 6.495 -2.438 288 HE1 TYR 55 HE2 TYR 55 -3.505 2.938 -2.654 289 HE2 TYR 55 HE1 TYR 55 -1.056 5.835 -4.604 290 HH TYR 55 HH TYR 55 -2.163 4.052 -5.656 291 HB2 TYR 55 HB2 TYR 55 -1.553 5.892 0.627 292 HB3 TYR 55 HB3 TYR 55 -0.084 6.431 -0.170 293 H ASP 56 HN ASP 56 2.203 5.943 0.806 294 HA ASP 56 HA ASP 56 1.913 6.764 3.625 295 HB2 ASP 56 HB2 ASP 56 3.962 5.443 3.250 296 HB3 ASP 56 HB3 ASP 56 4.452 6.546 1.975 297 H LEU 57 HN LEU 57 2.186 8.999 4.104 298 HA LEU 57 HA LEU 57 2.394 10.756 1.736 299 HG LEU 57 HG LEU 57 -0.252 9.719 3.031 300 HB2 LEU 57 HB2 LEU 57 1.040 11.494 4.325 301 HB3 LEU 57 HB3 LEU 57 1.064 12.418 2.846 302 HD11 LEU 57 HD11 LEU 57 -1.481 12.447 3.397 303 HD12 LEU 57 HD12 LEU 57 -2.375 10.936 3.218 304 HD13 LEU 57 HD13 LEU 57 -1.342 11.189 4.625 305 HD21 LEU 57 HD23 LEU 57 -1.395 10.450 1.025 306 HD22 LEU 57 HD21 LEU 57 -0.561 12.002 1.088 307 HD23 LEU 57 HD22 LEU 57 0.351 10.522 0.790 308 H THR 58 HN THR 58 2.716 10.947 5.234 309 HA THR 58 HA THR 58 4.048 12.102 6.620 310 HB THR 58 HB THR 58 6.532 11.725 6.254 311 HG1 THR 58 HG1 THR 58 5.713 9.918 4.204 312 HG21 THR 58 HG23 THR 58 6.392 9.337 6.771 313 HG22 THR 58 HG21 THR 58 4.722 9.305 6.212 314 HG23 THR 58 HG22 THR 58 5.153 10.245 7.641 315 H LYS 59 HN LYS 59 6.143 12.717 3.835 316 HA LYS 59 HA LYS 59 6.307 15.489 4.545 317 HB2 LYS 59 HB2 LYS 59 7.704 15.694 2.520 318 HB3 LYS 59 HB3 LYS 59 8.240 14.406 3.585 319 HG2 LYS 59 HG2 LYS 59 7.132 12.768 2.110 320 HG3 LYS 59 HG3 LYS 59 6.687 14.084 1.022 321 HD2 LYS 59 HD2 LYS 59 9.036 14.624 0.682 322 HD3 LYS 59 HD3 LYS 59 9.502 13.352 1.813 323 HE2 LYS 59 HE2 LYS 59 8.458 11.692 0.313 324 HE3 LYS 59 HE3 LYS 59 8.108 12.984 -0.834 325 HZ1 LYS 59 HZ3 LYS 59 10.838 12.310 0.112 326 HZ2 LYS 59 HZ1 LYS 59 10.428 13.379 -1.137 327 HZ3 LYS 59 HZ2 LYS 59 10.166 11.711 -1.328 328 H PHE 60 HN PHE 60 4.382 13.550 2.514 329 HA PHE 60 HA PHE 60 3.885 15.286 0.383 330 HD1 PHE 60 HD2 PHE 60 3.811 14.353 -1.750 331 HD2 PHE 60 HD1 PHE 60 0.143 13.044 -0.027 332 HE1 PHE 60 HE2 PHE 60 2.696 14.632 -3.923 333 HE2 PHE 60 HE1 PHE 60 -0.974 13.321 -2.202 334 HZ PHE 60 HZ PHE 60 0.303 14.114 -4.153 335 HB2 PHE 60 HB2 PHE 60 3.529 12.776 0.462 336 HB3 PHE 60 HB3 PHE 60 2.014 13.110 1.291 337 H LEU 61 HN LEU 61 2.731 15.279 3.505 338 HA LEU 61 HA LEU 61 0.043 15.855 3.452 339 HG LEU 61 HG LEU 61 2.160 14.402 5.354 340 HB2 LEU 61 HB2 LEU 61 2.165 16.843 5.354 341 HB3 LEU 61 HB3 LEU 61 0.443 16.880 5.680 342 HD11 LEU 61 HD11 LEU 61 1.708 14.088 7.710 343 HD12 LEU 61 HD12 LEU 61 2.466 15.657 7.442 344 HD13 LEU 61 HD13 LEU 61 0.733 15.554 7.747 345 HD21 LEU 61 HD23 LEU 61 -0.098 14.030 4.469 346 HD22 LEU 61 HD21 LEU 61 0.144 13.165 5.986 347 HD23 LEU 61 HD22 LEU 61 -0.793 14.661 5.965 348 H GLU 62 HN GLU 62 2.717 17.937 2.828 349 HA GLU 62 HA GLU 62 1.206 20.410 3.168 350 HB2 GLU 62 HB2 GLU 62 4.086 20.108 2.344 351 HB3 GLU 62 HB3 GLU 62 3.322 21.475 3.146 352 HG2 GLU 62 HG2 GLU 62 3.034 20.135 5.161 353 HG3 GLU 62 HG3 GLU 62 3.784 18.758 4.354 354 H GLU 63 HN GLU 63 2.056 18.240 0.725 355 HA GLU 63 HA GLU 63 2.505 20.299 -1.329 356 HB2 GLU 63 HB2 GLU 63 3.166 17.352 -1.208 357 HB3 GLU 63 HB3 GLU 63 3.412 18.349 -2.638 358 HG2 GLU 63 HG2 GLU 63 4.642 19.050 0.004 359 HG3 GLU 63 HG3 GLU 63 5.413 17.930 -1.122 360 H HIS 64 HN HIS 64 0.229 18.042 -0.246 361 HA HIS 64 HA HIS 64 -0.973 17.543 -2.779 362 HD1 HIS 64 HD1 HIS 64 -4.281 16.906 0.098 363 HD2 HIS 64 HD2 HIS 64 -2.760 14.710 -3.145 364 HE1 HIS 64 HE1 HIS 64 -6.246 15.632 -0.915 365 HB2 HIS 64 HB3 HIS 64 -0.992 15.789 -1.164 366 HB3 HIS 64 HB2 HIS 64 -1.724 16.791 0.044 367 HA PRO 65 HA PRO 65 -3.329 21.363 -2.822 368 HB2 PRO 65 HB2 PRO 65 -5.192 20.511 -4.688 369 HB3 PRO 65 HB3 PRO 65 -3.611 21.198 -5.071 370 HG2 PRO 65 HG2 PRO 65 -4.467 18.336 -4.969 371 HG3 PRO 65 HG3 PRO 65 -3.372 19.146 -6.105 372 HD2 PRO 65 HD2 PRO 65 -2.439 17.604 -4.123 373 HD3 PRO 65 HD3 PRO 65 -1.590 19.077 -4.636 374 H GLY 66 HN GLY 66 -4.767 18.241 -2.274 375 HA2 GLY 66 HA1 GLY 66 -7.472 19.047 -2.070 376 HA3 GLY 66 HA2 GLY 66 -6.809 17.511 -1.549 377 H GLY 67 HN GLY 67 -4.954 19.463 0.162 378 HA2 GLY 67 HA1 GLY 67 -5.780 20.979 2.006 379 HA3 GLY 67 HA2 GLY 67 -6.925 19.692 2.350 380 H GLU 68 HN GLU 68 -4.622 21.002 3.844 381 HA GLU 68 HA GLU 68 -2.578 19.091 4.248 382 HB2 GLU 68 HB2 GLU 68 -2.432 21.504 4.877 383 HB3 GLU 68 HB3 GLU 68 -3.596 21.206 6.163 384 HG2 GLU 68 HG2 GLU 68 -1.982 19.542 7.111 385 HG3 GLU 68 HG3 GLU 68 -0.803 20.116 5.934 386 H GLU 69 HN GLU 69 -5.304 20.003 6.320 387 HA GLU 69 HA GLU 69 -4.664 18.090 8.300 388 HB2 GLU 69 HB2 GLU 69 -7.191 19.710 7.960 389 HB3 GLU 69 HB3 GLU 69 -6.695 18.863 9.420 390 HG2 GLU 69 HG2 GLU 69 -4.591 20.302 9.327 391 HG3 GLU 69 HG3 GLU 69 -5.478 21.291 8.164 392 H VAL 70 HN VAL 70 -6.765 18.065 5.569 393 HA VAL 70 HA VAL 70 -8.671 16.188 6.533 394 HB VAL 70 HB VAL 70 -9.097 17.931 4.788 395 HG11 VAL 70 HG11 VAL 70 -8.566 17.426 2.454 396 HG12 VAL 70 HG12 VAL 70 -7.116 17.668 3.428 397 HG13 VAL 70 HG13 VAL 70 -7.615 16.039 2.977 398 HG21 VAL 70 HG23 VAL 70 -9.813 15.132 3.931 399 HG22 VAL 70 HG21 VAL 70 -10.660 16.069 5.160 400 HG23 VAL 70 HG22 VAL 70 -10.649 16.618 3.482 401 H LEU 71 HN LEU 71 -5.562 15.810 5.182 402 HA LEU 71 HA LEU 71 -5.910 13.241 4.006 403 HG LEU 71 HG LEU 71 -4.382 15.762 3.059 404 HB2 LEU 71 HB2 LEU 71 -3.482 14.685 5.061 405 HB3 LEU 71 HB3 LEU 71 -3.403 13.150 4.223 406 HD11 LEU 71 HD11 LEU 71 -1.915 15.545 3.363 407 HD12 LEU 71 HD12 LEU 71 -1.960 14.123 2.320 408 HD13 LEU 71 HD13 LEU 71 -2.424 15.704 1.684 409 HD21 LEU 71 HD23 LEU 71 -4.573 14.546 0.955 410 HD22 LEU 71 HD21 LEU 71 -4.135 13.046 1.776 411 HD23 LEU 71 HD22 LEU 71 -5.641 13.865 2.181 412 H ARG 72 HN ARG 72 -4.741 14.442 7.052 413 HA ARG 72 HA ARG 72 -3.747 12.182 8.274 414 HE ARG 72 HE ARG 72 -5.380 16.296 9.790 415 HB2 ARG 72 HB2 ARG 72 -5.206 14.351 9.781 416 HB3 ARG 72 HB3 ARG 72 -3.864 13.373 10.330 417 HG2 ARG 72 HG2 ARG 72 -2.327 14.556 8.979 418 HG3 ARG 72 HG3 ARG 72 -3.624 15.377 8.104 419 HD2 ARG 72 HD2 ARG 72 -2.897 15.712 11.021 420 HD3 ARG 72 HD3 ARG 72 -2.665 16.894 9.734 421 HH11 ARG 72 HH12 ARG 72 -3.037 17.801 11.959 422 HH12 ARG 72 HH11 ARG 72 -4.240 18.762 12.778 423 HH21 ARG 72 HH22 ARG 72 -6.936 17.566 10.877 424 HH22 ARG 72 HH21 ARG 72 -6.444 18.638 12.146 425 H GLU 73 HN GLU 73 -7.030 13.390 8.173 426 HA GLU 73 HA GLU 73 -7.901 11.868 10.444 427 HB2 GLU 73 HB2 GLU 73 -8.666 14.200 9.771 428 HB3 GLU 73 HB3 GLU 73 -9.587 13.435 8.486 429 HG2 GLU 73 HG2 GLU 73 -10.984 12.312 10.041 430 HG3 GLU 73 HG3 GLU 73 -9.944 12.754 11.394 431 H GLN 74 HN GLN 74 -7.864 11.491 7.033 432 HA GLN 74 HA GLN 74 -9.910 9.397 7.035 433 HB2 GLN 74 HB2 GLN 74 -8.445 10.873 4.853 434 HB3 GLN 74 HB3 GLN 74 -9.507 9.508 4.534 435 HG2 GLN 74 HG2 GLN 74 -10.337 12.064 5.890 436 HG3 GLN 74 HG3 GLN 74 -10.588 11.687 4.185 437 HE21 GLN 74 HE21 GLN 74 -12.092 10.121 3.621 438 HE22 GLN 74 HE22 GLN 74 -13.316 9.570 4.710 439 H ALA 75 HN ALA 75 -6.802 9.567 7.752 440 HA ALA 75 HA ALA 75 -5.753 7.387 6.176 441 HB1 ALA 75 HB3 ALA 75 -3.706 7.741 7.445 442 HB2 ALA 75 HB1 ALA 75 -4.321 9.264 6.808 443 HB3 ALA 75 HB2 ALA 75 -4.546 8.867 8.510 444 H GLY 76 HN GLY 76 -5.219 5.370 6.924 445 HA2 GLY 76 HA1 GLY 76 -5.032 3.775 8.741 446 HA3 GLY 76 HA2 GLY 76 -6.346 4.625 9.537 447 H GLY 77 HN GLY 77 -6.932 4.397 6.258 448 HA2 GLY 77 HA1 GLY 77 -7.788 1.760 5.910 449 HA3 GLY 77 HA2 GLY 77 -9.146 2.694 6.535 450 H ASP 78 HN ASP 78 -9.785 1.823 4.197 451 HA ASP 78 HA ASP 78 -8.713 3.256 1.990 452 HB2 ASP 78 HB2 ASP 78 -11.283 1.683 2.270 453 HB3 ASP 78 HB3 ASP 78 -10.834 2.512 0.784 454 H ALA 79 HN ALA 79 -8.876 5.351 1.721 455 HA ALA 79 HA ALA 79 -11.120 6.836 2.828 456 HB1 ALA 79 HB3 ALA 79 -9.959 8.824 1.975 457 HB2 ALA 79 HB1 ALA 79 -8.885 7.823 2.952 458 HB3 ALA 79 HB2 ALA 79 -8.764 7.792 1.192 459 H THR 80 HN THR 80 -11.436 4.857 0.628 460 HA THR 80 HA THR 80 -11.668 6.276 -1.820 461 HB THR 80 HB THR 80 -11.087 3.939 -1.826 462 HG1 THR 80 HG1 THR 80 -13.674 4.351 -2.954 463 HG21 THR 80 HG23 THR 80 -13.820 3.485 -0.640 464 HG22 THR 80 HG21 THR 80 -12.264 3.165 0.128 465 HG23 THR 80 HG22 THR 80 -12.774 2.215 -1.267 466 H GLU 81 HN GLU 81 -13.613 6.497 0.830 467 HA GLU 81 HA GLU 81 -16.227 6.601 -0.145 468 HB2 GLU 81 HB2 GLU 81 -15.057 8.814 1.547 469 HB3 GLU 81 HB3 GLU 81 -16.710 8.238 1.513 470 HG2 GLU 81 HG2 GLU 81 -16.045 6.186 2.617 471 HG3 GLU 81 HG3 GLU 81 -14.363 6.725 2.621 472 H ASN 82 HN ASN 82 -13.644 8.988 -0.233 473 HA ASN 82 HA ASN 82 -15.192 10.917 -1.711 474 HB2 ASN 82 HB2 ASN 82 -12.310 10.827 -0.789 475 HB3 ASN 82 HB3 ASN 82 -12.976 12.171 -1.711 476 HD21 ASN 82 HD21 ASN 82 -14.898 10.464 0.636 477 HD22 ASN 82 HD22 ASN 82 -14.916 11.708 1.835 478 H PHE 83 HN PHE 83 -13.782 8.143 -2.571 479 HA PHE 83 HA PHE 83 -12.535 9.032 -5.077 480 HD1 PHE 83 HD2 PHE 83 -12.454 5.383 -6.276 481 HD2 PHE 83 HD1 PHE 83 -9.559 8.059 -4.666 482 HE1 PHE 83 HE2 PHE 83 -10.901 4.797 -8.096 483 HE2 PHE 83 HE1 PHE 83 -8.004 7.477 -6.477 484 HZ PHE 83 HZ PHE 83 -8.673 5.844 -8.197 485 HB2 PHE 83 HB2 PHE 83 -11.437 7.412 -3.385 486 HB3 PHE 83 HB3 PHE 83 -12.592 6.224 -3.966 487 H GLU 84 HN GLU 84 -15.111 7.153 -3.700 488 HA GLU 84 HA GLU 84 -16.140 6.222 -6.244 489 HB2 GLU 84 HB2 GLU 84 -17.177 6.006 -3.411 490 HB3 GLU 84 HB3 GLU 84 -17.964 5.283 -4.798 491 HG2 GLU 84 HG2 GLU 84 -15.919 3.936 -5.201 492 HG3 GLU 84 HG3 GLU 84 -15.235 4.614 -3.722 493 H ASP 85 HN ASP 85 -16.336 8.980 -4.378 494 HA ASP 85 HA ASP 85 -18.902 9.799 -5.558 495 HB2 ASP 85 HB2 ASP 85 -18.531 9.648 -2.955 496 HB3 ASP 85 HB3 ASP 85 -17.663 11.160 -3.186 497 H VAL 86 HN VAL 86 -17.730 10.377 -7.472 498 HA VAL 86 HA VAL 86 -16.393 11.569 -8.859 499 HB VAL 86 HB VAL 86 -18.276 13.105 -8.594 500 HG11 VAL 86 HG11 VAL 86 -18.158 13.576 -6.213 501 HG12 VAL 86 HG12 VAL 86 -16.656 14.471 -6.455 502 HG13 VAL 86 HG13 VAL 86 -18.160 15.069 -7.156 503 HG21 VAL 86 HG23 VAL 86 -17.154 15.169 -9.349 504 HG22 VAL 86 HG21 VAL 86 -15.608 14.480 -8.849 505 HG23 VAL 86 HG22 VAL 86 -16.533 13.718 -10.140 506 H GLY 87 HN GLY 87 -14.582 10.455 -7.677 507 HA2 GLY 87 HA1 GLY 87 -12.937 12.363 -6.164 508 HA3 GLY 87 HA2 GLY 87 -12.857 10.618 -5.996 509 H HIS 88 HN HIS 88 -11.338 13.230 -7.163 510 HA HIS 88 HA HIS 88 -9.385 13.505 -8.252 511 HD1 HIS 88 HD1 HIS 88 -8.830 9.791 -5.783 512 HD2 HIS 88 HD2 HIS 88 -7.250 13.526 -6.747 513 HE1 HIS 88 HE1 HIS 88 -7.562 10.593 -3.721 514 HB2 HIS 88 HB2 HIS 88 -9.393 10.495 -8.124 515 HB3 HIS 88 HB3 HIS 88 -8.065 11.402 -8.831 516 H SER 89 HN SER 89 -8.167 12.937 -10.338 517 HA SER 89 HA SER 89 -9.971 12.024 -12.456 518 HG SER 89 HG SER 89 -7.274 14.731 -13.058 519 HB2 SER 89 HB2 SER 89 -8.935 13.775 -13.965 520 HB3 SER 89 HB3 SER 89 -10.004 14.405 -12.710 521 H THR 90 HN THR 90 -8.254 11.959 -14.627 522 HA THR 90 HA THR 90 -6.900 9.567 -14.082 523 HB THR 90 HB THR 90 -7.672 10.232 -16.334 524 HG1 THR 90 HG1 THR 90 -5.250 9.112 -15.717 525 HG21 THR 90 HG23 THR 90 -6.244 11.672 -17.725 526 HG22 THR 90 HG21 THR 90 -5.252 12.042 -16.309 527 HG23 THR 90 HG22 THR 90 -6.939 12.553 -16.364 528 H ASP 91 HN ASP 91 -5.825 12.823 -13.731 529 HA ASP 91 HA ASP 91 -3.073 12.628 -13.871 530 HB2 ASP 91 HB2 ASP 91 -4.593 14.191 -11.775 531 HB3 ASP 91 HB3 ASP 91 -2.996 14.549 -12.421 532 H ALA 92 HN ALA 92 -5.205 11.872 -11.141 533 HA ALA 92 HA ALA 92 -2.996 11.238 -9.388 534 HB1 ALA 92 HB3 ALA 92 -4.691 10.822 -7.704 535 HB2 ALA 92 HB1 ALA 92 -5.003 12.352 -8.526 536 HB3 ALA 92 HB2 ALA 92 -5.958 10.925 -8.928 537 H ARG 93 HN ARG 93 -4.431 9.624 -11.819 538 HA ARG 93 HA ARG 93 -4.468 6.969 -10.665 539 HE ARG 93 HE ARG 93 -5.592 3.989 -14.875 540 HB2 ARG 93 HB2 ARG 93 -6.080 7.681 -12.378 541 HB3 ARG 93 HB3 ARG 93 -4.770 7.994 -13.500 542 HG2 ARG 93 HG2 ARG 93 -4.263 5.654 -13.633 543 HG3 ARG 93 HG3 ARG 93 -5.460 5.290 -12.384 544 HD2 ARG 93 HD2 ARG 93 -7.235 6.117 -13.801 545 HD3 ARG 93 HD3 ARG 93 -6.071 6.592 -15.032 546 HH11 ARG 93 HH12 ARG 93 -8.639 5.710 -14.968 547 HH12 ARG 93 HH11 ARG 93 -9.451 4.482 -15.878 548 HH21 ARG 93 HH22 ARG 93 -6.674 2.364 -16.080 549 HH22 ARG 93 HH21 ARG 93 -8.361 2.565 -16.462 550 H GLU 94 HN GLU 94 -2.215 9.121 -11.706 551 HA GLU 94 HA GLU 94 -0.269 7.111 -12.633 552 HB2 GLU 94 HB2 GLU 94 -0.530 10.066 -13.229 553 HB3 GLU 94 HB3 GLU 94 0.895 9.131 -13.642 554 HG2 GLU 94 HG2 GLU 94 -1.883 8.617 -14.683 555 HG3 GLU 94 HG3 GLU 94 -0.603 9.469 -15.548 556 H MET 95 HN MET 95 -0.675 10.142 -10.945 557 HA MET 95 HA MET 95 1.903 10.569 -10.023 558 HB2 MET 95 HB2 MET 95 -0.096 12.141 -10.135 559 HB3 MET 95 HB3 MET 95 -0.607 11.434 -8.610 560 HG2 MET 95 HG2 MET 95 0.542 13.424 -8.084 561 HG3 MET 95 HG3 MET 95 1.619 12.089 -7.672 562 HE1 MET 95 HE3 MET 95 3.672 13.805 -7.570 563 HE2 MET 95 HE1 MET 95 4.042 14.939 -8.868 564 HE3 MET 95 HE2 MET 95 2.540 15.100 -7.961 565 H SER 96 HN SER 96 -0.539 8.474 -8.777 566 HA SER 96 HA SER 96 0.386 8.689 -6.059 567 HG SER 96 HG SER 96 -2.797 7.449 -7.907 568 HB2 SER 96 HB2 SER 96 -1.527 7.179 -5.563 569 HB3 SER 96 HB3 SER 96 -1.991 8.662 -6.401 570 H LYS 97 HN LYS 97 1.138 6.747 -8.701 571 HA LYS 97 HA LYS 97 1.093 4.141 -7.702 572 HB2 LYS 97 HB2 LYS 97 3.036 5.309 -9.709 573 HB3 LYS 97 HB3 LYS 97 2.712 3.601 -9.473 574 HG2 LYS 97 HG2 LYS 97 0.399 3.937 -10.210 575 HG3 LYS 97 HG3 LYS 97 0.735 5.655 -10.456 576 HD2 LYS 97 HD2 LYS 97 2.517 5.032 -12.049 577 HD3 LYS 97 HD3 LYS 97 2.066 3.343 -11.866 578 HE2 LYS 97 HE2 LYS 97 0.495 5.579 -13.107 579 HE3 LYS 97 HE3 LYS 97 1.083 4.116 -13.870 580 HZ1 LYS 97 HZ3 LYS 97 -1.150 4.377 -11.945 581 HZ2 LYS 97 HZ1 LYS 97 -0.477 2.879 -12.376 582 HZ3 LYS 97 HZ2 LYS 97 -1.207 3.852 -13.550 583 H THR 98 HN THR 98 3.464 6.655 -7.194 584 HA THR 98 HA THR 98 5.524 4.778 -6.397 585 HB THR 98 HB THR 98 6.813 6.962 -6.029 586 HG1 THR 98 HG1 THR 98 5.854 8.807 -6.847 587 HG21 THR 98 HG23 THR 98 7.145 7.285 -8.443 588 HG22 THR 98 HG21 THR 98 5.685 6.347 -8.761 589 HG23 THR 98 HG22 THR 98 7.087 5.571 -8.022 590 H PHE 99 HN PHE 99 2.921 6.033 -4.910 591 HA PHE 99 HA PHE 99 4.212 6.484 -2.307 592 HD1 PHE 99 HD1 PHE 99 3.855 8.903 -1.195 593 HD2 PHE 99 HD2 PHE 99 1.797 8.741 -4.913 594 HE1 PHE 99 HE1 PHE 99 4.698 11.142 -1.754 595 HE2 PHE 99 HE2 PHE 99 2.636 10.982 -5.482 596 HZ PHE 99 HZ PHE 99 4.089 12.185 -3.899 597 HB2 PHE 99 HB2 PHE 99 1.424 7.097 -3.316 598 HB3 PHE 99 HB3 PHE 99 1.928 7.326 -1.647 599 H ILE 100 HN ILE 100 2.715 4.104 -4.088 600 HA ILE 100 HA ILE 100 1.188 2.865 -1.998 601 HB ILE 100 HB ILE 100 2.085 1.512 -4.535 602 HG12 ILE 100 HG12 ILE 100 -0.362 3.258 -4.190 603 HG13 ILE 100 HG13 ILE 100 1.079 3.719 -5.092 604 HG21 ILE 100 HG21 ILE 100 -0.214 1.174 -2.632 605 HG22 ILE 100 HG22 ILE 100 -0.116 0.362 -4.196 606 HG23 ILE 100 HG23 ILE 100 1.099 0.045 -2.958 607 HD11 ILE 100 HD13 ILE 100 0.691 1.892 -6.656 608 HD12 ILE 100 HD11 ILE 100 -0.741 1.409 -5.743 609 HD13 ILE 100 HD12 ILE 100 -0.703 2.970 -6.567 610 H ILE 101 HN ILE 101 2.626 2.339 -0.291 611 HA ILE 101 HA ILE 101 5.189 1.173 -0.809 612 HB ILE 101 HB ILE 101 5.352 0.909 1.662 613 HG12 ILE 101 HG12 ILE 101 2.645 2.279 1.655 614 HG13 ILE 101 HG13 ILE 101 2.943 0.614 2.145 615 HG21 ILE 101 HG21 ILE 101 5.348 3.381 2.084 616 HG22 ILE 101 HG22 ILE 101 6.230 2.855 0.650 617 HG23 ILE 101 HG23 ILE 101 4.630 3.577 0.486 618 HD11 ILE 101 HD13 ILE 101 4.060 3.066 3.498 619 HD12 ILE 101 HD11 ILE 101 2.696 2.104 4.065 620 HD13 ILE 101 HD12 ILE 101 4.312 1.397 4.004 621 H GLY 102 HN GLY 102 2.046 -0.158 -0.297 622 HA2 GLY 102 HA1 GLY 102 2.780 -2.746 -1.013 623 HA3 GLY 102 HA2 GLY 102 2.811 -2.679 0.744 624 H GLU 103 HN GLU 103 1.071 -4.203 0.793 625 HA GLU 103 HA GLU 103 -1.536 -2.926 0.338 626 HB2 GLU 103 HB2 GLU 103 -0.865 -5.805 -0.325 627 HB3 GLU 103 HB3 GLU 103 -2.475 -5.101 -0.398 628 HG2 GLU 103 HG2 GLU 103 -1.512 -3.437 -2.051 629 HG3 GLU 103 HG3 GLU 103 -0.095 -4.476 -2.115 630 H LEU 104 HN LEU 104 -3.080 -5.095 1.359 631 HA LEU 104 HA LEU 104 -2.358 -4.785 4.173 632 HG LEU 104 HG LEU 104 -4.133 -3.036 3.093 633 HB2 LEU 104 HB2 LEU 104 -4.954 -5.499 2.820 634 HB3 LEU 104 HB3 LEU 104 -4.725 -5.568 4.560 635 HD11 LEU 104 HD11 LEU 104 -6.844 -3.929 4.023 636 HD12 LEU 104 HD12 LEU 104 -6.428 -2.295 3.507 637 HD13 LEU 104 HD13 LEU 104 -6.354 -3.628 2.354 638 HD21 LEU 104 HD23 LEU 104 -3.489 -3.371 5.469 639 HD22 LEU 104 HD21 LEU 104 -4.596 -2.024 5.202 640 HD23 LEU 104 HD22 LEU 104 -5.200 -3.547 5.851 641 H HIS 105 HN HIS 105 -2.494 -6.540 5.647 642 HA HIS 105 HA HIS 105 -1.249 -8.922 4.656 643 HD1 HIS 105 HD1 HIS 105 0.407 -6.713 7.449 644 HD2 HIS 105 HD2 HIS 105 0.508 -10.762 6.588 645 HE1 HIS 105 HE1 HIS 105 2.829 -7.368 7.596 646 HE2 HIS 105 HE2 HIS 105 2.844 -9.863 7.206 647 HB2 HIS 105 HB2 HIS 105 -1.873 -7.732 7.277 648 HB3 HIS 105 HB3 HIS 105 -1.963 -9.487 7.263 649 HA PRO 106 HA PRO 106 -4.592 -11.992 4.484 650 HB2 PRO 106 HB2 PRO 106 -3.555 -13.123 7.052 651 HB3 PRO 106 HB3 PRO 106 -3.979 -13.952 5.548 652 HG2 PRO 106 HG2 PRO 106 -1.436 -13.532 6.136 653 HG3 PRO 106 HG3 PRO 106 -2.019 -13.279 4.479 654 HD2 PRO 106 HD2 PRO 106 -1.365 -11.266 6.586 655 HD3 PRO 106 HD3 PRO 106 -1.078 -11.208 4.832 656 H ASP 107 HN ASP 107 -4.335 -9.771 6.977 657 HA ASP 107 HA ASP 107 -6.605 -10.673 8.526 658 HB2 ASP 107 HB2 ASP 107 -6.216 -8.729 9.921 659 HB3 ASP 107 HB3 ASP 107 -4.673 -9.524 9.611 660 H ASP 108 HN ASP 108 -5.949 -8.593 5.837 661 HA ASP 108 HA ASP 108 -8.806 -7.855 5.800 662 HB2 ASP 108 HB2 ASP 108 -7.123 -5.916 5.980 663 HB3 ASP 108 HB3 ASP 108 -6.671 -6.325 4.329 664 H ARG 109 HN ARG 109 -6.110 -9.177 4.015 665 HA ARG 109 HA ARG 109 -6.927 -8.870 1.389 666 HE ARG 109 HE ARG 109 -5.682 -10.823 -0.815 667 HB2 ARG 109 HB2 ARG 109 -5.036 -10.581 2.807 668 HB3 ARG 109 HB3 ARG 109 -5.658 -11.307 1.332 669 HG2 ARG 109 HG2 ARG 109 -5.050 -8.777 0.511 670 HG3 ARG 109 HG3 ARG 109 -3.784 -9.106 1.701 671 HD2 ARG 109 HD2 ARG 109 -3.028 -9.850 -0.461 672 HD3 ARG 109 HD3 ARG 109 -3.345 -11.258 0.557 673 HH11 ARG 109 HH12 ARG 109 -2.365 -11.461 -1.633 674 HH12 ARG 109 HH11 ARG 109 -2.733 -12.242 -3.140 675 HH21 ARG 109 HH22 ARG 109 -6.224 -11.856 -2.797 676 HH22 ARG 109 HH21 ARG 109 -4.960 -12.439 -3.828 677 HA PRO 110 HA PRO 110 -9.555 -12.880 1.555 678 HB2 PRO 110 HB2 PRO 110 -9.680 -13.841 4.278 679 HB3 PRO 110 HB3 PRO 110 -9.062 -14.674 2.850 680 HG2 PRO 110 HG2 PRO 110 -7.485 -13.843 4.922 681 HG3 PRO 110 HG3 PRO 110 -6.904 -14.040 3.260 682 HD2 PRO 110 HD2 PRO 110 -7.712 -11.549 4.705 683 HD3 PRO 110 HD3 PRO 110 -6.349 -11.819 3.598 684 H LYS 111 HN LYS 111 -9.523 -10.600 4.106 685 HA LYS 111 HA LYS 111 -11.023 -9.532 5.392 686 HB2 LYS 111 HB2 LYS 111 -13.003 -10.360 3.263 687 HB3 LYS 111 HB3 LYS 111 -13.288 -9.143 4.499 688 HG2 LYS 111 HG2 LYS 111 -11.071 -8.122 3.446 689 HG3 LYS 111 HG3 LYS 111 -11.644 -9.019 2.041 690 HD2 LYS 111 HD2 LYS 111 -12.551 -6.841 1.847 691 HD3 LYS 111 HD3 LYS 111 -13.872 -7.883 2.374 692 HE2 LYS 111 HE2 LYS 111 -13.900 -5.779 3.591 693 HE3 LYS 111 HE3 LYS 111 -13.563 -7.123 4.678 694 HZ1 LYS 111 HZ3 LYS 111 -11.196 -6.522 4.578 695 HZ2 LYS 111 HZ1 LYS 111 -12.139 -5.247 5.168 696 HZ3 LYS 111 HZ2 LYS 111 -11.557 -5.215 3.579 697 H LEU 112 HN LEU 112 -12.836 -12.330 4.157 698 HA LEU 112 HA LEU 112 -13.420 -13.077 6.939 699 HG LEU 112 HG LEU 112 -15.011 -15.579 6.205 700 HB2 LEU 112 HB2 LEU 112 -15.409 -12.655 5.579 701 HB3 LEU 112 HB3 LEU 112 -14.870 -13.837 4.401 702 HD11 LEU 112 HD11 LEU 112 -14.886 -14.059 8.114 703 HD12 LEU 112 HD12 LEU 112 -16.466 -13.401 7.687 704 HD13 LEU 112 HD13 LEU 112 -16.315 -15.086 8.183 705 HD21 LEU 112 HD23 LEU 112 -17.447 -15.784 6.086 706 HD22 LEU 112 HD21 LEU 112 -17.555 -14.130 5.489 707 HD23 LEU 112 HD22 LEU 112 -16.749 -15.366 4.524 708 H ASN 113 HN ASN 113 -13.149 -14.882 3.818 709 HA ASN 113 HA ASN 113 -11.258 -16.684 5.126 710 HB2 ASN 113 HB2 ASN 113 -13.564 -17.443 5.725 711 HB3 ASN 113 HB3 ASN 113 -13.873 -17.715 4.017 712 HD21 ASN 113 HD21 ASN 113 -10.813 -18.415 5.593 713 HD22 ASN 113 HD22 ASN 113 -10.920 -20.128 5.423 714 H LYS 114 HN LYS 114 -12.454 -15.258 2.276 715 HA LYS 114 HA LYS 114 -11.660 -15.242 0.138 716 HB2 LYS 114 HB2 LYS 114 -9.721 -17.209 1.288 717 HB3 LYS 114 HB3 LYS 114 -9.858 -17.074 -0.461 718 HG2 LYS 114 HG2 LYS 114 -9.121 -14.865 -0.465 719 HG3 LYS 114 HG3 LYS 114 -9.449 -14.656 1.248 720 HD2 LYS 114 HD2 LYS 114 -7.068 -14.781 0.907 721 HD3 LYS 114 HD3 LYS 114 -7.609 -16.224 1.759 722 HE2 LYS 114 HE2 LYS 114 -7.323 -16.232 -1.220 723 HE3 LYS 114 HE3 LYS 114 -5.913 -16.441 -0.190 724 HZ1 LYS 114 HZ3 LYS 114 -7.234 -18.285 0.910 725 HZ2 LYS 114 HZ1 LYS 114 -6.670 -18.589 -0.660 726 HZ3 LYS 114 HZ2 LYS 114 -8.291 -18.185 -0.415 727 HA PRO 115 HA PRO 115 -14.654 -18.292 -1.177 728 HB2 PRO 115 HB2 PRO 115 -14.795 -16.854 -3.689 729 HB3 PRO 115 HB3 PRO 115 -15.989 -16.928 -2.392 730 HG2 PRO 115 HG2 PRO 115 -14.594 -14.671 -3.025 731 HG3 PRO 115 HG3 PRO 115 -15.220 -15.011 -1.400 732 HD2 PRO 115 HD2 PRO 115 -12.444 -15.365 -2.480 733 HD3 PRO 115 HD3 PRO 115 -12.969 -14.725 -0.906 734 HA PRO 116 HA PRO 116 -11.807 -20.711 -3.679 735 HB2 PRO 116 HB2 PRO 116 -13.570 -22.957 -3.166 736 HB3 PRO 116 HB3 PRO 116 -11.940 -22.675 -2.562 737 HG2 PRO 116 HG2 PRO 116 -14.134 -22.621 -0.961 738 HG3 PRO 116 HG3 PRO 116 -12.682 -21.659 -0.643 739 HD2 PRO 116 HD2 PRO 116 -15.267 -20.809 -1.909 740 HD3 PRO 116 HD3 PRO 116 -14.278 -19.967 -0.697 741 H GLU 117 HN GLU 117 -15.063 -22.109 -3.966 742 HA GLU 117 HA GLU 117 -14.618 -22.428 -6.799 743 HB2 GLU 117 HB2 GLU 117 -16.735 -23.727 -6.750 744 HB3 GLU 117 HB3 GLU 117 -15.512 -24.327 -5.644 745 HG2 GLU 117 HG2 GLU 117 -16.668 -23.269 -3.774 746 HG3 GLU 117 HG3 GLU 117 -17.873 -22.609 -4.886 747 H THR 118 HN THR 118 -14.751 -19.840 -6.567 748 HA THR 118 HA THR 118 -15.823 -17.904 -7.112 749 HB THR 118 HB THR 118 -17.232 -18.086 -9.191 750 HG1 THR 118 HG1 THR 118 -17.544 -20.555 -8.447 751 HG21 THR 118 HG23 THR 118 -15.359 -18.847 -10.611 752 HG22 THR 118 HG21 THR 118 -14.551 -19.465 -9.174 753 HG23 THR 118 HG22 THR 118 -14.839 -17.735 -9.345 754 H LEU 119 HN LEU 119 -16.953 -18.513 -4.868 755 HA LEU 119 HA LEU 119 -19.628 -19.131 -4.646 756 HG LEU 119 HG LEU 119 -20.495 -16.972 -2.571 757 HB2 LEU 119 HB2 LEU 119 -18.106 -18.808 -2.751 758 HB3 LEU 119 HB3 LEU 119 -18.072 -17.085 -3.070 759 HD11 LEU 119 HD11 LEU 119 -21.566 -18.870 -1.466 760 HD12 LEU 119 HD12 LEU 119 -21.096 -19.263 -3.121 761 HD13 LEU 119 HD13 LEU 119 -20.130 -19.855 -1.767 762 HD21 LEU 119 HD23 LEU 119 -18.711 -18.131 -0.439 763 HD22 LEU 119 HD21 LEU 119 -18.899 -16.429 -0.856 764 HD23 LEU 119 HD22 LEU 119 -20.246 -17.316 -0.137 765 H ILE 120 HN ILE 120 -18.500 -15.758 -4.426 766 HA ILE 120 HA ILE 120 -20.662 -15.017 -6.276 767 HB ILE 120 HB ILE 120 -19.696 -13.329 -3.953 768 HG12 ILE 120 HG12 ILE 120 -22.308 -14.803 -4.384 769 HG13 ILE 120 HG13 ILE 120 -21.067 -15.206 -3.202 770 HG21 ILE 120 HG21 ILE 120 -21.876 -12.812 -5.984 771 HG22 ILE 120 HG22 ILE 120 -21.515 -11.800 -4.588 772 HG23 ILE 120 HG23 ILE 120 -20.328 -11.975 -5.882 773 HD11 ILE 120 HD13 ILE 120 -21.487 -13.124 -2.031 774 HD12 ILE 120 HD11 ILE 120 -22.705 -12.682 -3.230 775 HD13 ILE 120 HD12 ILE 120 -22.961 -14.079 -2.180 776 H THR 121 HN THR 121 -19.264 -15.137 -7.989 777 HA THR 121 HA THR 121 -17.183 -13.058 -8.059 778 HB THR 121 HB THR 121 -17.157 -15.622 -9.664 779 HG1 THR 121 HG1 THR 121 -16.182 -15.001 -7.095 780 HG21 THR 121 HG23 THR 121 -14.770 -15.060 -9.964 781 HG22 THR 121 HG21 THR 121 -15.031 -13.551 -9.090 782 HG23 THR 121 HG22 THR 121 -15.834 -13.826 -10.637 783 H THR 122 HN THR 122 -19.501 -14.930 -10.009 784 HA THR 122 HA THR 122 -20.759 -14.400 -11.817 785 HB THR 122 HB THR 122 -20.642 -11.554 -10.811 786 HG1 THR 122 HG1 THR 122 -21.801 -13.874 -9.721 787 HG21 THR 122 HG23 THR 122 -22.851 -13.146 -12.141 788 HG22 THR 122 HG21 THR 122 -21.851 -11.928 -12.936 789 HG23 THR 122 HG22 THR 122 -22.946 -11.457 -11.636 790 H ILE 123 HN ILE 123 -18.315 -14.738 -12.648 791 HA ILE 123 HA ILE 123 -17.661 -12.484 -14.398 792 HB ILE 123 HB ILE 123 -16.101 -14.982 -13.713 793 HG12 ILE 123 HG12 ILE 123 -16.026 -13.210 -12.026 794 HG13 ILE 123 HG13 ILE 123 -14.459 -13.378 -12.815 795 HG21 ILE 123 HG21 ILE 123 -14.310 -14.135 -15.158 796 HG22 ILE 123 HG22 ILE 123 -15.768 -14.510 -16.077 797 HG23 ILE 123 HG23 ILE 123 -15.370 -12.835 -15.700 798 HD11 ILE 123 HD13 ILE 123 -14.903 -11.412 -14.163 799 HD12 ILE 123 HD11 ILE 123 -16.506 -11.260 -13.443 800 HD13 ILE 123 HD12 ILE 123 -15.066 -11.041 -12.447 801 H ASP 124 HN ASP 124 -18.101 -12.533 -16.456 802 HA ASP 124 HA ASP 124 -20.129 -14.049 -17.494 803 HB2 ASP 124 HB2 ASP 124 -17.917 -12.635 -18.992 804 HB3 ASP 124 HB3 ASP 124 -19.425 -13.182 -19.709 805 H SER 125 HN SER 125 -19.965 -16.250 -17.375 806 HA SER 125 HA SER 125 -19.520 -18.346 -18.076 807 HG SER 125 HG SER 125 -20.686 -17.609 -21.202 808 HB2 SER 125 HB2 SER 125 -18.398 -16.983 -20.535 809 HB3 SER 125 HB3 SER 125 -18.960 -18.651 -20.418 810 H SER 126 HN SER 126 -18.073 -19.017 -16.607 811 HA SER 126 HA SER 126 -15.632 -18.047 -15.998 812 HG SER 126 HG SER 126 -14.671 -19.949 -14.047 813 HB2 SER 126 HB2 SER 126 -16.705 -19.581 -14.537 814 HB3 SER 126 HB3 SER 126 -16.661 -20.864 -15.747 815 H SER 127 HN SER 127 -15.879 -21.165 -17.743 816 HA SER 127 HA SER 127 -13.578 -20.524 -19.353 817 HG SER 127 HG SER 127 -13.930 -21.829 -16.100 818 HB2 SER 127 HB2 SER 127 -12.348 -22.570 -18.343 819 HB3 SER 127 HB3 SER 127 -12.310 -21.047 -17.454 820 H SER 128 HN SER 128 -12.961 -22.311 -20.789 821 HA SER 128 HA SER 128 -15.047 -24.356 -21.127 822 HG SER 128 HG SER 128 -12.471 -23.139 -23.226 823 HB2 SER 128 HB2 SER 128 -14.548 -24.221 -23.587 824 HB3 SER 128 HB3 SER 128 -15.266 -22.752 -22.936 825 HHA HEM 129 HHA HEM 129 -6.503 17.158 -6.255 826 HHB HEM 129 HHB HEM 129 -2.299 12.287 -6.015 827 HHC HEM 129 HHC HEM 129 -5.039 10.263 -0.594 828 HHD HEM 129 HHD HEM 129 -9.644 14.749 -1.193 829 HAB HEM 129 HAB HEM 129 -2.133 9.919 -0.524 830 HAC HEM 129 HAC HEM 129 -10.388 13.113 0.441 831 HMA1 HEM 129 HMA1 HEM 129 -2.280 15.136 -8.677 832 HMA2 HEM 129 HMA2 HEM 129 -1.368 14.540 -7.287 833 HMA3 HEM 129 HMA3 HEM 129 -2.284 13.417 -8.305 834 HAA1 HEM 129 HAA1 HEM 129 -3.912 17.112 -8.531 835 HAA2 HEM 129 HAA2 HEM 129 -4.398 15.759 -8.954 836 HBA1 HEM 129 HBA1 HEM 129 -6.321 17.553 -9.219 837 HBA2 HEM 129 HBA2 HEM 129 -6.874 16.086 -8.390 838 HMB1 HEM 129 HMB1 HEM 129 -0.269 10.894 -3.916 839 HMB2 HEM 129 HMB2 HEM 129 -1.270 9.694 -4.967 840 HMB3 HEM 129 HMB3 HEM 129 -1.098 9.747 -3.453 841 HBB1 HEM 129 HBB1 HEM 129 -3.022 7.880 -2.601 842 HBB2 HEM 129 HBB2 HEM 129 -2.172 7.581 -0.960 843 HMC1 HEM 129 HMC1 HEM 129 -7.106 9.646 0.743 844 HMC2 HEM 129 HMC2 HEM 129 -6.160 10.804 1.692 845 HMC3 HEM 129 HMC3 HEM 129 -7.948 10.712 1.846 846 HBC1 HEM 129 HBC1 HEM 129 -10.232 13.015 2.808 847 HBC2 HEM 129 HBC2 HEM 129 -8.462 12.467 2.733 848 HMD1 HEM 129 HMD1 HEM 129 -10.717 16.490 -1.700 849 HMD2 HEM 129 HMD2 HEM 129 -10.908 17.784 -3.042 850 HMD3 HEM 129 HMD3 HEM 129 -9.756 17.601 -2.081 851 HAD1 HEM 129 HAD1 HEM 129 -8.687 17.848 -6.425 852 HAD2 HEM 129 HAD2 HEM 129 -9.837 17.389 -5.601 853 HBD1 HEM 129 HBD1 HEM 129 -10.348 18.878 -4.026 854 HBD2 HEM 129 HBD2 HEM 129 -10.656 19.223 -5.745 Start of MODEL 16 1 HA MET 21 HA MET 21 12.623 -14.444 7.340 2 H1 MET 21 1H MET 21 13.046 -12.692 9.664 3 HB2 MET 21 HB2 MET 21 11.293 -11.760 7.829 4 HB3 MET 21 HB3 MET 21 11.212 -12.648 6.318 5 HG2 MET 21 HG2 MET 21 9.198 -13.122 7.327 6 HG3 MET 21 HG3 MET 21 10.178 -14.530 7.730 7 HE1 MET 21 HE3 MET 21 9.168 -11.103 10.649 8 HE2 MET 21 HE1 MET 21 10.245 -10.883 9.273 9 HE3 MET 21 HE2 MET 21 8.532 -11.220 9.009 10 H ALA 22 HN ALA 22 13.808 -13.852 5.483 11 HA ALA 22 HA ALA 22 16.151 -12.291 6.119 12 HB1 ALA 22 HB3 ALA 22 17.047 -13.026 4.030 13 HB2 ALA 22 HB1 ALA 22 16.232 -14.401 4.779 14 HB3 ALA 22 HB2 ALA 22 15.455 -13.524 3.461 15 H GLU 23 HN GLU 23 13.703 -12.141 3.557 16 HA GLU 23 HA GLU 23 14.438 -9.566 2.632 17 HB2 GLU 23 HB2 GLU 23 11.686 -9.971 2.057 18 HB3 GLU 23 HB3 GLU 23 13.051 -10.126 0.965 19 HG2 GLU 23 HG2 GLU 23 11.685 -12.119 0.936 20 HG3 GLU 23 HG3 GLU 23 13.285 -12.472 1.586 21 H GLN 24 HN GLN 24 11.294 -10.394 4.106 22 HA GLN 24 HA GLN 24 11.429 -8.749 6.343 23 HB2 GLN 24 HB2 GLN 24 11.647 -6.924 4.624 24 HB3 GLN 24 HB3 GLN 24 10.031 -7.330 4.066 25 HG2 GLN 24 HG2 GLN 24 9.926 -5.423 5.528 26 HG3 GLN 24 HG3 GLN 24 9.142 -6.795 6.305 27 HE21 GLN 24 HE21 GLN 24 9.408 -5.967 8.370 28 HE22 GLN 24 HE22 GLN 24 10.950 -5.894 9.153 29 H SER 25 HN SER 25 9.291 -9.890 3.730 30 HA SER 25 HA SER 25 7.162 -10.191 5.748 31 HG SER 25 HG SER 25 6.992 -7.831 5.320 32 HB2 SER 25 HB2 SER 25 6.764 -9.280 2.895 33 HB3 SER 25 HB3 SER 25 5.538 -9.363 4.160 34 H ASP 26 HN ASP 26 8.976 -12.249 4.678 35 HA ASP 26 HA ASP 26 8.803 -14.484 4.230 36 HB2 ASP 26 HB2 ASP 26 6.603 -14.137 5.595 37 HB3 ASP 26 HB3 ASP 26 5.798 -14.246 4.034 38 H GLU 27 HN GLU 27 9.439 -12.821 2.305 39 HA GLU 27 HA GLU 27 9.743 -12.562 0.097 40 HB2 GLU 27 HB2 GLU 27 8.172 -15.130 -0.135 41 HB3 GLU 27 HB3 GLU 27 8.935 -14.321 -1.491 42 HG2 GLU 27 HG2 GLU 27 11.123 -14.591 -0.325 43 HG3 GLU 27 HG3 GLU 27 10.294 -15.568 0.888 44 H ALA 28 HN ALA 28 8.304 -12.812 -2.107 45 HA ALA 28 HA ALA 28 6.556 -12.154 -3.382 46 HB1 ALA 28 HB3 ALA 28 4.904 -12.126 -0.858 47 HB2 ALA 28 HB1 ALA 28 4.317 -12.208 -2.519 48 HB3 ALA 28 HB2 ALA 28 5.212 -13.563 -1.834 49 H VAL 29 HN VAL 29 4.431 -10.403 -2.665 50 HA VAL 29 HA VAL 29 5.809 -7.853 -2.557 51 HB VAL 29 HB VAL 29 2.842 -8.453 -2.747 52 HG11 VAL 29 HG11 VAL 29 4.362 -5.892 -3.239 53 HG12 VAL 29 HG12 VAL 29 2.647 -6.143 -3.566 54 HG13 VAL 29 HG13 VAL 29 3.247 -6.216 -1.911 55 HG21 VAL 29 HG23 VAL 29 4.680 -7.640 -4.990 56 HG22 VAL 29 HG21 VAL 29 4.222 -9.312 -4.661 57 HG23 VAL 29 HG22 VAL 29 2.991 -8.128 -5.102 58 H LYS 30 HN LYS 30 5.805 -6.497 -0.810 59 HA LYS 30 HA LYS 30 5.464 -7.701 1.706 60 HB2 LYS 30 HB2 LYS 30 5.841 -4.773 1.089 61 HB3 LYS 30 HB3 LYS 30 6.062 -5.538 2.654 62 HG2 LYS 30 HG2 LYS 30 7.947 -6.783 1.846 63 HG3 LYS 30 HG3 LYS 30 7.674 -6.203 0.201 64 HD2 LYS 30 HD2 LYS 30 8.038 -3.883 1.011 65 HD3 LYS 30 HD3 LYS 30 8.440 -4.530 2.601 66 HE2 LYS 30 HE2 LYS 30 10.467 -4.049 1.372 67 HE3 LYS 30 HE3 LYS 30 10.295 -5.788 1.594 68 HZ1 LYS 30 HZ3 LYS 30 9.666 -6.066 -0.642 69 HZ2 LYS 30 HZ1 LYS 30 11.010 -5.033 -0.666 70 HZ3 LYS 30 HZ2 LYS 30 9.447 -4.404 -0.886 71 H TYR 31 HN TYR 31 3.954 -7.495 3.273 72 HA TYR 31 HA TYR 31 1.550 -5.930 2.612 73 HD1 TYR 31 HD2 TYR 31 0.305 -7.146 0.980 74 HD2 TYR 31 HD1 TYR 31 1.814 -10.465 3.164 75 HE1 TYR 31 HE2 TYR 31 0.146 -8.543 -1.043 76 HE2 TYR 31 HE1 TYR 31 1.665 -11.869 1.150 77 HH TYR 31 HH TYR 31 1.261 -10.630 -1.920 78 HB2 TYR 31 HB2 TYR 31 1.568 -8.484 4.243 79 HB3 TYR 31 HB3 TYR 31 0.159 -7.564 3.729 80 H TYR 32 HN TYR 32 0.344 -5.120 4.461 81 HA TYR 32 HA TYR 32 1.884 -5.048 6.975 82 HD1 TYR 32 HD2 TYR 32 2.133 -2.580 4.058 83 HD2 TYR 32 HD1 TYR 32 2.803 -2.406 8.268 84 HE1 TYR 32 HE2 TYR 32 4.352 -1.555 3.674 85 HE2 TYR 32 HE1 TYR 32 5.002 -1.373 7.890 86 HH TYR 32 HH TYR 32 6.676 -1.221 6.159 87 HB2 TYR 32 HB2 TYR 32 0.318 -2.859 5.636 88 HB3 TYR 32 HB3 TYR 32 0.606 -2.843 7.372 89 H THR 33 HN THR 33 0.739 -5.388 8.876 90 HA THR 33 HA THR 33 -1.790 -6.677 8.516 91 HB THR 33 HB THR 33 -1.844 -6.804 11.000 92 HG1 THR 33 HG1 THR 33 0.675 -5.472 10.782 93 HG21 THR 33 HG23 THR 33 0.125 -8.295 11.217 94 HG22 THR 33 HG21 THR 33 0.720 -7.693 9.671 95 HG23 THR 33 HG22 THR 33 -0.794 -8.596 9.743 96 H LEU 34 HN LEU 34 -3.821 -5.973 9.541 97 HA LEU 34 HA LEU 34 -4.511 -3.355 8.814 98 HG LEU 34 HG LEU 34 -6.695 -3.132 11.225 99 HB2 LEU 34 HB2 LEU 34 -6.216 -4.997 8.897 100 HB3 LEU 34 HB3 LEU 34 -5.856 -5.426 10.551 101 HD11 LEU 34 HD11 LEU 34 -6.432 -1.984 9.120 102 HD12 LEU 34 HD12 LEU 34 -7.578 -3.079 8.346 103 HD13 LEU 34 HD13 LEU 34 -8.131 -1.966 9.599 104 HD21 LEU 34 HD23 LEU 34 -8.554 -5.040 9.818 105 HD22 LEU 34 HD21 LEU 34 -8.098 -5.054 11.520 106 HD23 LEU 34 HD22 LEU 34 -9.091 -3.741 10.885 107 H GLU 35 HN GLU 35 -3.453 -4.752 11.828 108 HA GLU 35 HA GLU 35 -4.239 -2.667 13.556 109 HB2 GLU 35 HB2 GLU 35 -2.700 -3.781 15.189 110 HB3 GLU 35 HB3 GLU 35 -3.917 -4.831 14.480 111 HG2 GLU 35 HG2 GLU 35 -2.248 -5.732 12.948 112 HG3 GLU 35 HG3 GLU 35 -1.026 -4.677 13.658 113 H GLU 36 HN GLU 36 -1.513 -3.021 11.493 114 HA GLU 36 HA GLU 36 0.221 -1.174 12.869 115 HB2 GLU 36 HB2 GLU 36 0.315 -2.213 10.014 116 HB3 GLU 36 HB3 GLU 36 1.578 -1.255 10.768 117 HG2 GLU 36 HG2 GLU 36 1.966 -3.035 12.387 118 HG3 GLU 36 HG3 GLU 36 0.677 -3.971 11.644 119 H ILE 37 HN ILE 37 -1.928 -1.102 10.120 120 HA ILE 37 HA ILE 37 -1.201 1.473 9.194 121 HB ILE 37 HB ILE 37 -3.737 -0.067 8.645 122 HG12 ILE 37 HG12 ILE 37 -1.601 -1.376 8.305 123 HG13 ILE 37 HG13 ILE 37 -2.608 -1.191 6.874 124 HG21 ILE 37 HG21 ILE 37 -3.687 2.304 7.899 125 HG22 ILE 37 HG22 ILE 37 -2.279 1.925 6.913 126 HG23 ILE 37 HG23 ILE 37 -3.830 1.156 6.569 127 HD11 ILE 37 HD13 ILE 37 -1.116 0.623 6.129 128 HD12 ILE 37 HD11 ILE 37 -0.086 0.298 7.524 129 HD13 ILE 37 HD12 ILE 37 -0.315 -0.939 6.289 130 H GLN 38 HN GLN 38 -3.473 0.269 11.490 131 HA GLN 38 HA GLN 38 -5.100 2.544 11.827 132 HB2 GLN 38 HB2 GLN 38 -4.458 0.082 13.344 133 HB3 GLN 38 HB3 GLN 38 -5.100 1.414 14.291 134 HG2 GLN 38 HG2 GLN 38 -6.405 0.157 11.881 135 HG3 GLN 38 HG3 GLN 38 -6.861 -0.113 13.563 136 HE21 GLN 38 HE21 GLN 38 -6.893 2.165 10.907 137 HE22 GLN 38 HE22 GLN 38 -8.077 3.221 11.596 138 H LYS 39 HN LYS 39 -1.921 1.690 12.987 139 HA LYS 39 HA LYS 39 -1.839 3.727 15.043 140 HB2 LYS 39 HB2 LYS 39 -0.707 1.403 15.053 141 HB3 LYS 39 HB3 LYS 39 0.507 2.143 14.020 142 HG2 LYS 39 HG2 LYS 39 0.926 3.842 15.770 143 HG3 LYS 39 HG3 LYS 39 -0.230 3.015 16.815 144 HD2 LYS 39 HD2 LYS 39 1.967 2.308 17.446 145 HD3 LYS 39 HD3 LYS 39 1.183 0.962 16.616 146 HE2 LYS 39 HE2 LYS 39 2.391 1.453 14.578 147 HE3 LYS 39 HE3 LYS 39 3.088 2.902 15.301 148 HZ1 LYS 39 HZ3 LYS 39 4.198 1.447 16.936 149 HZ2 LYS 39 HZ1 LYS 39 4.697 1.148 15.346 150 HZ3 LYS 39 HZ2 LYS 39 3.619 0.087 16.104 151 H HIS 40 HN HIS 40 -1.679 3.869 11.819 152 HA HIS 40 HA HIS 40 0.325 6.030 11.781 153 HD1 HIS 40 HD1 HIS 40 1.070 1.980 9.840 154 HD2 HIS 40 HD2 HIS 40 2.769 5.282 11.682 155 HE1 HIS 40 HE1 HIS 40 3.217 1.160 10.855 156 HE2 HIS 40 HE2 HIS 40 4.221 3.164 11.987 157 HB2 HIS 40 HB2 HIS 40 -0.370 3.998 9.647 158 HB3 HIS 40 HB3 HIS 40 0.673 5.392 9.374 159 H ASN 41 HN ASN 41 -2.252 6.431 12.517 160 HA ASN 41 HA ASN 41 -3.809 7.333 10.197 161 HB2 ASN 41 HB2 ASN 41 -5.711 7.183 11.614 162 HB3 ASN 41 HB3 ASN 41 -4.734 5.775 12.018 163 HD21 ASN 41 HD21 ASN 41 -6.144 8.675 13.159 164 HD22 ASN 41 HD22 ASN 41 -5.611 8.554 14.802 165 H HIS 42 HN HIS 42 -1.495 8.763 11.727 166 HA HIS 42 HA HIS 42 -2.986 11.146 12.587 167 HD1 HIS 42 HD1 HIS 42 1.111 10.769 13.586 168 HD2 HIS 42 HD2 HIS 42 -1.155 7.594 15.016 169 HE1 HIS 42 HE1 HIS 42 2.749 8.897 13.977 170 HE2 HIS 42 HE2 HIS 42 1.381 7.114 15.134 171 HB2 HIS 42 HB2 HIS 42 -1.419 11.344 14.529 172 HB3 HIS 42 HB3 HIS 42 -2.469 9.934 14.611 173 H SER 43 HN SER 43 -1.195 12.878 13.250 174 HA SER 43 HA SER 43 -0.195 13.995 10.960 175 HG SER 43 HG SER 43 -0.571 15.768 14.177 176 HB2 SER 43 HB2 SER 43 1.143 14.404 13.635 177 HB3 SER 43 HB3 SER 43 0.873 15.582 12.351 178 H LYS 44 HN LYS 44 1.871 12.556 13.460 179 HA LYS 44 HA LYS 44 4.279 12.951 12.164 180 HB2 LYS 44 HB2 LYS 44 3.544 10.889 14.234 181 HB3 LYS 44 HB3 LYS 44 5.193 11.221 13.729 182 HG2 LYS 44 HG2 LYS 44 4.895 13.572 14.447 183 HG3 LYS 44 HG3 LYS 44 3.296 13.147 15.059 184 HD2 LYS 44 HD2 LYS 44 4.891 13.145 16.872 185 HD3 LYS 44 HD3 LYS 44 4.356 11.492 16.567 186 HE2 LYS 44 HE2 LYS 44 6.747 11.522 16.925 187 HE3 LYS 44 HE3 LYS 44 6.406 11.107 15.245 188 HZ1 LYS 44 HZ3 LYS 44 6.891 13.393 14.619 189 HZ2 LYS 44 HZ1 LYS 44 8.215 12.689 15.408 190 HZ3 LYS 44 HZ2 LYS 44 7.225 13.790 16.237 191 H SER 45 HN SER 45 1.994 10.465 11.525 192 HA SER 45 HA SER 45 3.558 9.601 9.280 193 HG SER 45 HG SER 45 5.055 8.941 10.949 194 HB2 SER 45 HB2 SER 45 2.740 7.574 11.375 195 HB3 SER 45 HB3 SER 45 3.451 7.206 9.807 196 H THR 46 HN THR 46 2.028 9.916 7.755 197 HA THR 46 HA THR 46 -0.724 9.156 8.466 198 HB THR 46 HB THR 46 0.078 11.125 6.315 199 HG1 THR 46 HG1 THR 46 -0.075 11.380 9.060 200 HG21 THR 46 HG23 THR 46 -2.262 11.912 6.602 201 HG22 THR 46 HG21 THR 46 -2.547 10.576 7.719 202 HG23 THR 46 HG22 THR 46 -2.165 10.248 6.028 203 H TRP 47 HN TRP 47 -1.144 7.187 7.661 204 HA TRP 47 HA TRP 47 -0.567 6.767 4.800 205 HD1 TRP 47 HD1 TRP 47 1.691 6.821 5.725 206 HE1 TRP 47 HE1 TRP 47 3.968 5.756 6.278 207 HE3 TRP 47 HE3 TRP 47 0.090 2.136 6.940 208 HZ2 TRP 47 HZ2 TRP 47 4.947 3.211 7.130 209 HZ3 TRP 47 HZ3 TRP 47 1.722 0.450 7.611 210 HH2 TRP 47 HH2 TRP 47 4.091 0.950 7.700 211 HB2 TRP 47 HB2 TRP 47 -1.060 4.691 6.942 212 HB3 TRP 47 HB3 TRP 47 -0.863 4.349 5.234 213 H LEU 48 HN LEU 48 -2.245 5.359 3.727 214 HA LEU 48 HA LEU 48 -4.817 5.311 5.022 215 HG LEU 48 HG LEU 48 -4.956 5.784 1.401 216 HB2 LEU 48 HB2 LEU 48 -6.057 6.585 3.528 217 HB3 LEU 48 HB3 LEU 48 -4.631 7.560 3.816 218 HD11 LEU 48 HD11 LEU 48 -5.509 7.823 0.166 219 HD12 LEU 48 HD12 LEU 48 -6.708 7.481 1.415 220 HD13 LEU 48 HD13 LEU 48 -5.500 8.735 1.677 221 HD21 LEU 48 HD23 LEU 48 -2.655 6.363 1.991 222 HD22 LEU 48 HD21 LEU 48 -3.153 7.136 0.486 223 HD23 LEU 48 HD22 LEU 48 -3.084 8.073 1.979 224 H ILE 49 HN ILE 49 -6.474 4.278 3.518 225 HA ILE 49 HA ILE 49 -5.184 2.445 1.619 226 HB ILE 49 HB ILE 49 -7.401 1.753 3.560 227 HG12 ILE 49 HG12 ILE 49 -4.556 0.726 3.359 228 HG13 ILE 49 HG13 ILE 49 -5.170 1.817 4.600 229 HG21 ILE 49 HG21 ILE 49 -7.734 0.665 1.401 230 HG22 ILE 49 HG22 ILE 49 -6.085 0.040 1.456 231 HG23 ILE 49 HG23 ILE 49 -7.274 -0.504 2.639 232 HD11 ILE 49 HD13 ILE 49 -6.673 0.083 5.401 233 HD12 ILE 49 HD11 ILE 49 -6.097 -1.005 4.139 234 HD13 ILE 49 HD12 ILE 49 -4.999 -0.473 5.412 235 H LEU 50 HN LEU 50 -5.881 3.050 -0.331 236 HA LEU 50 HA LEU 50 -8.369 4.488 -0.649 237 HG LEU 50 HG LEU 50 -5.864 5.932 -1.261 238 HB2 LEU 50 HB2 LEU 50 -6.080 3.836 -2.453 239 HB3 LEU 50 HB3 LEU 50 -7.604 4.347 -3.153 240 HD11 LEU 50 HD11 LEU 50 -5.677 7.488 -3.111 241 HD12 LEU 50 HD12 LEU 50 -5.092 5.892 -3.581 242 HD13 LEU 50 HD13 LEU 50 -6.681 6.443 -4.115 243 HD21 LEU 50 HD23 LEU 50 -8.541 6.652 -2.443 244 HD22 LEU 50 HD21 LEU 50 -8.237 6.263 -0.751 245 HD23 LEU 50 HD22 LEU 50 -7.518 7.706 -1.466 246 H HIS 51 HN HIS 51 -7.196 1.311 -1.158 247 HA HIS 51 HA HIS 51 -9.853 0.388 -1.852 248 HD1 HIS 51 HD1 HIS 51 -11.188 0.534 -4.489 249 HD2 HIS 51 HD2 HIS 51 -7.472 2.293 -5.046 250 HE1 HIS 51 HE1 HIS 51 -11.586 2.489 -6.021 251 HE2 HIS 51 HE2 HIS 51 -9.284 3.393 -6.510 252 HB2 HIS 51 HB2 HIS 51 -7.522 -0.075 -3.735 253 HB3 HIS 51 HB3 HIS 51 -9.040 -0.955 -3.809 254 H HIS 52 HN HIS 52 -6.664 -1.097 -2.315 255 HA HIS 52 HA HIS 52 -6.974 -2.664 0.118 256 HD1 HIS 52 HD1 HIS 52 -8.023 -5.481 0.551 257 HD2 HIS 52 HD2 HIS 52 -9.672 -3.532 -2.711 258 HE1 HIS 52 HE1 HIS 52 -10.492 -5.930 0.681 259 HE2 HIS 52 HE2 HIS 52 -11.483 -4.525 -1.157 260 HB2 HIS 52 HB2 HIS 52 -6.919 -3.826 -2.643 261 HB3 HIS 52 HB3 HIS 52 -6.291 -4.736 -1.269 262 H LYS 53 HN LYS 53 -5.252 -0.583 -1.250 263 HA LYS 53 HA LYS 53 -2.670 -1.857 -0.681 264 HB2 LYS 53 HB2 LYS 53 -3.247 0.170 -2.860 265 HB3 LYS 53 HB3 LYS 53 -1.647 -0.394 -2.405 266 HG2 LYS 53 HG2 LYS 53 -2.072 -2.571 -3.226 267 HG3 LYS 53 HG3 LYS 53 -3.800 -2.244 -3.407 268 HD2 LYS 53 HD2 LYS 53 -3.257 -0.555 -5.125 269 HD3 LYS 53 HD3 LYS 53 -1.551 -0.969 -4.961 270 HE2 LYS 53 HE2 LYS 53 -3.724 -2.887 -5.795 271 HE3 LYS 53 HE3 LYS 53 -2.637 -2.047 -6.898 272 HZ1 LYS 53 HZ3 LYS 53 -1.926 -4.106 -4.875 273 HZ2 LYS 53 HZ1 LYS 53 -0.769 -3.136 -5.664 274 HZ3 LYS 53 HZ2 LYS 53 -1.749 -4.182 -6.562 275 H VAL 54 HN VAL 54 -1.224 -0.588 0.463 276 HA VAL 54 HA VAL 54 -2.478 1.690 1.811 277 HB VAL 54 HB VAL 54 -1.512 -0.142 3.182 278 HG11 VAL 54 HG11 VAL 54 0.390 -0.675 1.693 279 HG12 VAL 54 HG12 VAL 54 1.180 0.808 2.228 280 HG13 VAL 54 HG13 VAL 54 0.848 -0.481 3.385 281 HG21 VAL 54 HG23 VAL 54 -0.240 2.569 3.478 282 HG22 VAL 54 HG21 VAL 54 -1.760 2.011 4.182 283 HG23 VAL 54 HG22 VAL 54 -0.231 1.316 4.717 284 H TYR 55 HN TYR 55 -1.536 3.724 1.847 285 HA TYR 55 HA TYR 55 0.782 4.126 0.054 286 HD1 TYR 55 HD2 TYR 55 -3.005 3.940 -0.233 287 HD2 TYR 55 HD1 TYR 55 -0.184 5.835 -2.796 288 HE1 TYR 55 HE2 TYR 55 -4.157 2.996 -2.195 289 HE2 TYR 55 HE1 TYR 55 -1.326 4.904 -4.754 290 HH TYR 55 HH TYR 55 -4.371 3.622 -4.688 291 HB2 TYR 55 HB2 TYR 55 -1.556 6.015 0.444 292 HB3 TYR 55 HB3 TYR 55 -0.142 6.332 -0.547 293 H ASP 56 HN ASP 56 1.855 6.322 0.517 294 HA ASP 56 HA ASP 56 1.626 7.044 3.360 295 HB2 ASP 56 HB2 ASP 56 3.705 5.830 3.163 296 HB3 ASP 56 HB3 ASP 56 4.191 6.784 1.770 297 H LEU 57 HN LEU 57 1.460 9.245 3.777 298 HA LEU 57 HA LEU 57 2.156 11.028 1.523 299 HG LEU 57 HG LEU 57 -1.603 11.615 1.651 300 HB2 LEU 57 HB2 LEU 57 0.028 11.679 3.545 301 HB3 LEU 57 HB3 LEU 57 0.458 12.608 2.145 302 HD11 LEU 57 HD11 LEU 57 -1.121 10.216 -0.260 303 HD12 LEU 57 HD12 LEU 57 0.005 11.565 -0.166 304 HD13 LEU 57 HD13 LEU 57 0.521 9.952 0.325 305 HD21 LEU 57 HD23 LEU 57 -1.751 9.935 3.343 306 HD22 LEU 57 HD21 LEU 57 -1.978 9.164 1.773 307 HD23 LEU 57 HD22 LEU 57 -0.436 9.010 2.614 308 H THR 58 HN THR 58 3.344 10.022 4.216 309 HA THR 58 HA THR 58 3.284 12.026 6.133 310 HB THR 58 HB THR 58 5.566 10.103 5.743 311 HG1 THR 58 HG1 THR 58 3.981 8.681 5.929 312 HG21 THR 58 HG23 THR 58 5.758 10.236 8.179 313 HG22 THR 58 HG21 THR 58 4.414 11.379 8.226 314 HG23 THR 58 HG22 THR 58 5.931 11.831 7.451 315 H LYS 59 HN LYS 59 5.136 11.885 3.231 316 HA LYS 59 HA LYS 59 6.617 14.292 4.060 317 HB2 LYS 59 HB2 LYS 59 7.035 12.433 1.707 318 HB3 LYS 59 HB3 LYS 59 7.925 13.927 1.952 319 HG2 LYS 59 HG2 LYS 59 9.375 12.374 2.809 320 HG3 LYS 59 HG3 LYS 59 8.520 12.919 4.251 321 HD2 LYS 59 HD2 LYS 59 8.713 10.515 4.311 322 HD3 LYS 59 HD3 LYS 59 7.023 10.950 4.058 323 HE2 LYS 59 HE2 LYS 59 7.308 10.538 1.644 324 HE3 LYS 59 HE3 LYS 59 8.976 10.044 1.940 325 HZ1 LYS 59 HZ3 LYS 59 7.602 8.105 1.814 326 HZ2 LYS 59 HZ1 LYS 59 6.515 8.718 2.963 327 HZ3 LYS 59 HZ2 LYS 59 8.096 8.289 3.424 328 H PHE 60 HN PHE 60 3.960 13.217 2.356 329 HA PHE 60 HA PHE 60 4.122 15.022 0.126 330 HD1 PHE 60 HD2 PHE 60 4.233 14.254 -1.882 331 HD2 PHE 60 HD1 PHE 60 0.161 13.364 -0.958 332 HE1 PHE 60 HE2 PHE 60 3.600 14.763 -4.206 333 HE2 PHE 60 HE1 PHE 60 -0.471 13.879 -3.287 334 HZ PHE 60 HZ PHE 60 1.249 14.587 -4.907 335 HB2 PHE 60 HB2 PHE 60 3.265 12.577 0.153 336 HB3 PHE 60 HB3 PHE 60 1.768 13.282 0.749 337 H LEU 61 HN LEU 61 2.990 15.097 3.232 338 HA LEU 61 HA LEU 61 0.472 16.160 3.287 339 HG LEU 61 HG LEU 61 2.368 14.371 4.994 340 HB2 LEU 61 HB2 LEU 61 2.754 16.844 5.138 341 HB3 LEU 61 HB3 LEU 61 1.049 17.046 5.487 342 HD11 LEU 61 HD11 LEU 61 2.103 14.054 7.426 343 HD12 LEU 61 HD12 LEU 61 3.248 15.330 7.013 344 HD13 LEU 61 HD13 LEU 61 1.630 15.748 7.567 345 HD21 LEU 61 HD23 LEU 61 -0.021 14.445 4.461 346 HD22 LEU 61 HD21 LEU 61 0.301 13.455 5.884 347 HD23 LEU 61 HD22 LEU 61 -0.357 15.081 6.071 348 H GLU 62 HN GLU 62 3.436 17.833 2.562 349 HA GLU 62 HA GLU 62 2.112 20.435 2.806 350 HB2 GLU 62 HB2 GLU 62 4.428 21.339 2.751 351 HB3 GLU 62 HB3 GLU 62 4.146 20.232 4.088 352 HG2 GLU 62 HG2 GLU 62 5.239 18.435 2.788 353 HG3 GLU 62 HG3 GLU 62 5.574 19.616 1.516 354 H GLU 63 HN GLU 63 2.750 18.175 0.508 355 HA GLU 63 HA GLU 63 3.438 20.104 -1.629 356 HB2 GLU 63 HB2 GLU 63 5.026 18.200 -1.116 357 HB3 GLU 63 HB3 GLU 63 3.756 17.096 -1.616 358 HG2 GLU 63 HG2 GLU 63 5.294 17.349 -3.415 359 HG3 GLU 63 HG3 GLU 63 3.782 18.139 -3.856 360 H HIS 64 HN HIS 64 0.927 18.461 -0.305 361 HA HIS 64 HA HIS 64 -0.386 17.899 -2.838 362 HD1 HIS 64 HD1 HIS 64 -3.479 16.823 0.081 363 HD2 HIS 64 HD2 HIS 64 -1.966 15.025 -3.403 364 HE1 HIS 64 HE1 HIS 64 -5.392 15.505 -0.953 365 HB2 HIS 64 HB3 HIS 64 -0.186 16.001 -1.362 366 HB3 HIS 64 HB2 HIS 64 -0.936 16.859 -0.054 367 HA PRO 65 HA PRO 65 -2.756 21.599 -2.048 368 HB2 PRO 65 HB2 PRO 65 -4.548 21.373 -4.056 369 HB3 PRO 65 HB3 PRO 65 -2.850 21.778 -4.331 370 HG2 PRO 65 HG2 PRO 65 -4.225 19.128 -4.599 371 HG3 PRO 65 HG3 PRO 65 -3.070 19.905 -5.700 372 HD2 PRO 65 HD2 PRO 65 -2.334 17.982 -3.946 373 HD3 PRO 65 HD3 PRO 65 -1.252 19.308 -4.415 374 H GLY 66 HN GLY 66 -4.252 18.454 -2.157 375 HA2 GLY 66 HA1 GLY 66 -6.831 19.590 -1.330 376 HA3 GLY 66 HA2 GLY 66 -6.595 17.996 -2.019 377 H GLY 67 HN GLY 67 -4.730 19.344 0.697 378 HA2 GLY 67 HA1 GLY 67 -6.266 18.670 2.817 379 HA3 GLY 67 HA2 GLY 67 -5.603 17.127 2.322 380 H GLU 68 HN GLU 68 -5.348 19.235 4.550 381 HA GLU 68 HA GLU 68 -2.684 18.230 5.223 382 HB2 GLU 68 HB2 GLU 68 -2.463 20.678 4.603 383 HB3 GLU 68 HB3 GLU 68 -3.595 21.052 5.897 384 HG2 GLU 68 HG2 GLU 68 -2.023 20.047 7.520 385 HG3 GLU 68 HG3 GLU 68 -0.889 19.761 6.205 386 H GLU 69 HN GLU 69 -5.510 20.017 6.257 387 HA GLU 69 HA GLU 69 -5.784 18.849 8.833 388 HB2 GLU 69 HB2 GLU 69 -7.658 20.319 6.974 389 HB3 GLU 69 HB3 GLU 69 -8.173 19.731 8.546 390 HG2 GLU 69 HG2 GLU 69 -5.738 21.374 8.555 391 HG3 GLU 69 HG3 GLU 69 -7.223 22.206 8.085 392 H VAL 70 HN VAL 70 -7.480 18.391 5.774 393 HA VAL 70 HA VAL 70 -9.372 16.590 6.776 394 HB VAL 70 HB VAL 70 -8.547 16.889 3.892 395 HG11 VAL 70 HG11 VAL 70 -10.018 15.020 4.202 396 HG12 VAL 70 HG12 VAL 70 -11.116 15.996 5.182 397 HG13 VAL 70 HG13 VAL 70 -10.926 16.340 3.464 398 HG21 VAL 70 HG23 VAL 70 -10.494 18.552 5.493 399 HG22 VAL 70 HG21 VAL 70 -8.974 19.099 4.786 400 HG23 VAL 70 HG22 VAL 70 -10.308 18.614 3.740 401 H LEU 71 HN LEU 71 -6.150 16.013 5.643 402 HA LEU 71 HA LEU 71 -6.406 13.378 4.755 403 HG LEU 71 HG LEU 71 -4.680 15.735 3.814 404 HB2 LEU 71 HB2 LEU 71 -4.095 14.845 6.007 405 HB3 LEU 71 HB3 LEU 71 -3.957 13.229 5.341 406 HD11 LEU 71 HD11 LEU 71 -2.551 15.324 2.666 407 HD12 LEU 71 HD12 LEU 71 -2.326 15.599 4.394 408 HD13 LEU 71 HD13 LEU 71 -2.245 13.962 3.744 409 HD21 LEU 71 HD23 LEU 71 -5.905 13.882 2.880 410 HD22 LEU 71 HD21 LEU 71 -4.548 14.253 1.818 411 HD23 LEU 71 HD22 LEU 71 -4.462 12.866 2.903 412 H ARG 72 HN ARG 72 -5.985 14.715 7.969 413 HA ARG 72 HA ARG 72 -5.021 12.524 9.352 414 HE ARG 72 HE ARG 72 -9.165 16.523 11.167 415 HB2 ARG 72 HB2 ARG 72 -5.651 13.682 11.352 416 HB3 ARG 72 HB3 ARG 72 -5.125 14.876 10.166 417 HG2 ARG 72 HG2 ARG 72 -7.466 15.276 9.575 418 HG3 ARG 72 HG3 ARG 72 -7.931 14.121 10.817 419 HD2 ARG 72 HD2 ARG 72 -7.261 15.528 12.549 420 HD3 ARG 72 HD3 ARG 72 -6.237 16.494 11.481 421 HH11 ARG 72 HH12 ARG 72 -6.185 18.173 11.884 422 HH12 ARG 72 HH11 ARG 72 -6.822 19.764 11.585 423 HH21 ARG 72 HH22 ARG 72 -10.049 18.613 10.781 424 HH22 ARG 72 HH21 ARG 72 -9.029 20.015 10.969 425 H GLU 73 HN GLU 73 -8.217 13.029 8.202 426 HA GLU 73 HA GLU 73 -9.399 11.239 10.200 427 HB2 GLU 73 HB2 GLU 73 -10.898 12.705 8.045 428 HB3 GLU 73 HB3 GLU 73 -11.487 12.145 9.604 429 HG2 GLU 73 HG2 GLU 73 -9.854 13.828 10.622 430 HG3 GLU 73 HG3 GLU 73 -9.748 14.508 8.999 431 H GLN 74 HN GLN 74 -8.435 11.390 6.948 432 HA GLN 74 HA GLN 74 -9.959 9.079 6.047 433 HB2 GLN 74 HB2 GLN 74 -7.834 10.779 4.724 434 HB3 GLN 74 HB3 GLN 74 -8.776 9.532 3.918 435 HG2 GLN 74 HG2 GLN 74 -10.021 11.921 5.240 436 HG3 GLN 74 HG3 GLN 74 -9.511 11.918 3.555 437 HE21 GLN 74 HE21 GLN 74 -12.152 12.315 4.531 438 HE22 GLN 74 HE22 GLN 74 -13.126 11.053 3.866 439 H ALA 75 HN ALA 75 -7.036 9.843 7.533 440 HA ALA 75 HA ALA 75 -5.426 7.696 6.539 441 HB1 ALA 75 HB3 ALA 75 -4.491 9.842 7.320 442 HB2 ALA 75 HB1 ALA 75 -4.996 9.440 8.962 443 HB3 ALA 75 HB2 ALA 75 -3.789 8.448 8.144 444 H GLY 76 HN GLY 76 -5.000 5.753 7.443 445 HA2 GLY 76 HA1 GLY 76 -4.840 4.419 9.500 446 HA3 GLY 76 HA2 GLY 76 -6.381 5.118 9.975 447 H GLY 77 HN GLY 77 -7.247 4.811 7.046 448 HA2 GLY 77 HA1 GLY 77 -7.209 2.058 6.396 449 HA3 GLY 77 HA2 GLY 77 -8.673 2.417 7.308 450 H ASP 78 HN ASP 78 -10.293 2.433 5.881 451 HA ASP 78 HA ASP 78 -9.939 2.940 3.135 452 HB2 ASP 78 HB2 ASP 78 -12.524 2.933 4.704 453 HB3 ASP 78 HB3 ASP 78 -12.387 2.829 2.954 454 H ALA 79 HN ALA 79 -9.721 4.765 2.104 455 HA ALA 79 HA ALA 79 -11.025 7.164 3.217 456 HB1 ALA 79 HB3 ALA 79 -9.304 8.491 2.166 457 HB2 ALA 79 HB1 ALA 79 -8.554 7.260 3.184 458 HB3 ALA 79 HB2 ALA 79 -8.599 7.051 1.433 459 H THR 80 HN THR 80 -11.515 4.870 1.037 460 HA THR 80 HA THR 80 -11.737 6.347 -1.403 461 HB THR 80 HB THR 80 -11.131 3.992 -1.436 462 HG1 THR 80 HG1 THR 80 -13.568 4.683 -2.718 463 HG21 THR 80 HG23 THR 80 -12.832 2.252 -1.023 464 HG22 THR 80 HG21 THR 80 -13.922 3.493 -0.401 465 HG23 THR 80 HG22 THR 80 -12.402 3.155 0.428 466 H GLU 81 HN GLU 81 -13.476 7.194 0.952 467 HA GLU 81 HA GLU 81 -16.126 6.846 -0.181 468 HB2 GLU 81 HB2 GLU 81 -16.837 8.436 1.632 469 HB3 GLU 81 HB3 GLU 81 -16.134 6.932 2.189 470 HG2 GLU 81 HG2 GLU 81 -14.947 8.219 3.555 471 HG3 GLU 81 HG3 GLU 81 -13.966 8.589 2.140 472 H ASN 82 HN ASN 82 -13.788 9.430 0.315 473 HA ASN 82 HA ASN 82 -15.083 11.480 -1.100 474 HB2 ASN 82 HB2 ASN 82 -13.178 11.836 0.420 475 HB3 ASN 82 HB3 ASN 82 -12.130 10.948 -0.677 476 HD21 ASN 82 HD21 ASN 82 -13.800 13.893 -0.064 477 HD22 ASN 82 HD22 ASN 82 -13.037 14.822 -1.312 478 H PHE 83 HN PHE 83 -13.142 8.802 -2.013 479 HA PHE 83 HA PHE 83 -12.234 9.730 -4.534 480 HD1 PHE 83 HD1 PHE 83 -9.948 9.028 -5.325 481 HD2 PHE 83 HD2 PHE 83 -12.122 5.383 -5.114 482 HE1 PHE 83 HE1 PHE 83 -8.793 8.231 -7.341 483 HE2 PHE 83 HE2 PHE 83 -10.977 4.579 -7.148 484 HZ PHE 83 HZ PHE 83 -9.387 6.014 -8.302 485 HB2 PHE 83 HB2 PHE 83 -11.037 8.067 -3.149 486 HB3 PHE 83 HB3 PHE 83 -12.343 6.918 -3.414 487 H GLU 84 HN GLU 84 -15.058 8.147 -3.421 488 HA GLU 84 HA GLU 84 -15.842 7.082 -6.007 489 HB2 GLU 84 HB2 GLU 84 -17.009 7.004 -3.231 490 HB3 GLU 84 HB3 GLU 84 -17.925 6.450 -4.626 491 HG2 GLU 84 HG2 GLU 84 -15.198 5.373 -3.978 492 HG3 GLU 84 HG3 GLU 84 -16.674 4.691 -3.294 493 H ASP 85 HN ASP 85 -16.003 9.987 -4.463 494 HA ASP 85 HA ASP 85 -18.611 10.779 -5.547 495 HB2 ASP 85 HB2 ASP 85 -18.355 11.122 -3.137 496 HB3 ASP 85 HB3 ASP 85 -16.868 12.028 -3.399 497 H VAL 86 HN VAL 86 -15.460 12.364 -4.944 498 HA VAL 86 HA VAL 86 -15.653 13.554 -7.631 499 HB VAL 86 HB VAL 86 -14.180 14.575 -5.191 500 HG11 VAL 86 HG11 VAL 86 -12.832 15.021 -7.130 501 HG12 VAL 86 HG12 VAL 86 -14.231 15.652 -8.003 502 HG13 VAL 86 HG13 VAL 86 -13.600 16.520 -6.604 503 HG21 VAL 86 HG23 VAL 86 -15.688 16.505 -5.400 504 HG22 VAL 86 HG21 VAL 86 -16.505 15.710 -6.746 505 HG23 VAL 86 HG22 VAL 86 -16.575 15.003 -5.133 506 H GLY 87 HN GLY 87 -13.310 12.323 -5.249 507 HA2 GLY 87 HA1 GLY 87 -11.583 10.836 -5.501 508 HA3 GLY 87 HA2 GLY 87 -12.204 10.480 -7.103 509 H HIS 88 HN HIS 88 -10.580 10.603 -8.442 510 HA HIS 88 HA HIS 88 -8.915 13.006 -8.453 511 HD1 HIS 88 HD1 HIS 88 -8.158 9.961 -5.779 512 HD2 HIS 88 HD2 HIS 88 -6.116 13.372 -7.029 513 HE1 HIS 88 HE1 HIS 88 -7.059 10.945 -3.702 514 HB2 HIS 88 HB2 HIS 88 -7.919 10.164 -8.341 515 HB3 HIS 88 HB3 HIS 88 -6.930 11.480 -8.958 516 H SER 89 HN SER 89 -8.090 13.571 -10.483 517 HA SER 89 HA SER 89 -9.401 12.317 -12.734 518 HG SER 89 HG SER 89 -6.701 15.177 -13.056 519 HB2 SER 89 HB2 SER 89 -8.244 14.152 -14.025 520 HB3 SER 89 HB3 SER 89 -9.319 14.715 -12.745 521 H THR 90 HN THR 90 -7.834 12.100 -14.778 522 HA THR 90 HA THR 90 -6.504 9.743 -14.433 523 HB THR 90 HB THR 90 -5.840 11.781 -16.564 524 HG1 THR 90 HG1 THR 90 -7.793 11.380 -17.319 525 HG21 THR 90 HG23 THR 90 -5.413 9.753 -17.921 526 HG22 THR 90 HG21 THR 90 -5.675 8.765 -16.483 527 HG23 THR 90 HG22 THR 90 -4.318 9.891 -16.544 528 H ASP 91 HN ASP 91 -5.101 12.972 -14.174 529 HA ASP 91 HA ASP 91 -2.394 12.464 -14.373 530 HB2 ASP 91 HB2 ASP 91 -3.399 14.708 -14.136 531 HB3 ASP 91 HB3 ASP 91 -3.739 14.365 -12.444 532 H ALA 92 HN ALA 92 -4.350 12.351 -11.401 533 HA ALA 92 HA ALA 92 -2.112 11.652 -9.773 534 HB1 ALA 92 HB3 ALA 92 -3.995 12.977 -8.934 535 HB2 ALA 92 HB1 ALA 92 -5.038 11.561 -9.075 536 HB3 ALA 92 HB2 ALA 92 -3.679 11.549 -7.950 537 H ARG 93 HN ARG 93 -4.009 9.839 -11.824 538 HA ARG 93 HA ARG 93 -4.057 7.395 -10.299 539 HE ARG 93 HE ARG 93 -8.515 8.906 -12.071 540 HB2 ARG 93 HB2 ARG 93 -4.466 7.925 -13.251 541 HB3 ARG 93 HB3 ARG 93 -4.791 6.394 -12.445 542 HG2 ARG 93 HG2 ARG 93 -6.503 7.447 -11.078 543 HG3 ARG 93 HG3 ARG 93 -6.147 9.011 -11.810 544 HD2 ARG 93 HD2 ARG 93 -6.777 8.008 -14.026 545 HD3 ARG 93 HD3 ARG 93 -7.328 6.582 -13.148 546 HH11 ARG 93 HH12 ARG 93 -8.641 6.841 -14.887 547 HH12 ARG 93 HH11 ARG 93 -10.333 7.128 -15.190 548 HH21 ARG 93 HH22 ARG 93 -10.714 9.329 -12.448 549 HH22 ARG 93 HH21 ARG 93 -11.518 8.587 -13.797 550 H GLU 94 HN GLU 94 -1.791 9.149 -11.971 551 HA GLU 94 HA GLU 94 -0.105 6.845 -12.702 552 HB2 GLU 94 HB2 GLU 94 0.068 9.723 -13.662 553 HB3 GLU 94 HB3 GLU 94 0.996 8.359 -14.269 554 HG2 GLU 94 HG2 GLU 94 -1.999 8.563 -14.490 555 HG3 GLU 94 HG3 GLU 94 -0.881 9.114 -15.734 556 H MET 95 HN MET 95 -0.281 10.009 -11.294 557 HA MET 95 HA MET 95 2.357 10.409 -10.441 558 HB2 MET 95 HB2 MET 95 0.504 12.096 -10.696 559 HB3 MET 95 HB3 MET 95 -0.176 11.483 -9.197 560 HG2 MET 95 HG2 MET 95 1.025 13.431 -8.658 561 HG3 MET 95 HG3 MET 95 1.983 12.065 -8.087 562 HE1 MET 95 HE3 MET 95 3.931 13.922 -7.846 563 HE2 MET 95 HE1 MET 95 4.557 14.849 -9.209 564 HE3 MET 95 HE2 MET 95 2.927 15.157 -8.607 565 H SER 96 HN SER 96 -0.351 8.777 -8.965 566 HA SER 96 HA SER 96 0.754 8.814 -6.328 567 HG SER 96 HG SER 96 -2.331 9.545 -7.059 568 HB2 SER 96 HB2 SER 96 -1.717 7.609 -7.499 569 HB3 SER 96 HB3 SER 96 -1.262 7.357 -5.811 570 H LYS 97 HN LYS 97 1.320 6.887 -8.954 571 HA LYS 97 HA LYS 97 1.000 4.277 -7.992 572 HB2 LYS 97 HB2 LYS 97 2.628 5.452 -10.217 573 HB3 LYS 97 HB3 LYS 97 2.675 3.730 -9.858 574 HG2 LYS 97 HG2 LYS 97 0.279 3.557 -10.223 575 HG3 LYS 97 HG3 LYS 97 0.186 5.295 -10.521 576 HD2 LYS 97 HD2 LYS 97 1.531 5.096 -12.486 577 HD3 LYS 97 HD3 LYS 97 1.872 3.398 -12.146 578 HE2 LYS 97 HE2 LYS 97 -0.414 2.803 -12.521 579 HE3 LYS 97 HE3 LYS 97 -0.884 4.498 -12.650 580 HZ1 LYS 97 HZ3 LYS 97 0.211 4.713 -14.684 581 HZ2 LYS 97 HZ1 LYS 97 -0.601 3.234 -14.795 582 HZ3 LYS 97 HZ2 LYS 97 1.069 3.259 -14.498 583 H THR 98 HN THR 98 3.649 6.502 -7.641 584 HA THR 98 HA THR 98 5.431 4.425 -6.673 585 HB THR 98 HB THR 98 6.964 6.485 -6.350 586 HG1 THR 98 HG1 THR 98 6.007 8.040 -8.153 587 HG21 THR 98 HG23 THR 98 7.236 4.840 -8.132 588 HG22 THR 98 HG21 THR 98 7.538 6.465 -8.741 589 HG23 THR 98 HG22 THR 98 6.007 5.662 -9.093 590 H PHE 99 HN PHE 99 2.953 6.010 -5.338 591 HA PHE 99 HA PHE 99 4.227 6.366 -2.725 592 HD1 PHE 99 HD1 PHE 99 3.831 8.779 -1.355 593 HD2 PHE 99 HD2 PHE 99 2.329 8.825 -5.343 594 HE1 PHE 99 HE1 PHE 99 4.896 10.959 -1.728 595 HE2 PHE 99 HE2 PHE 99 3.399 11.009 -5.720 596 HZ PHE 99 HZ PHE 99 4.710 12.067 -3.875 597 HB2 PHE 99 HB2 PHE 99 1.548 7.219 -3.815 598 HB3 PHE 99 HB3 PHE 99 1.949 7.308 -2.102 599 H ILE 100 HN ILE 100 2.543 4.118 -4.551 600 HA ILE 100 HA ILE 100 1.064 2.804 -2.481 601 HB ILE 100 HB ILE 100 2.077 1.517 -5.029 602 HG12 ILE 100 HG12 ILE 100 -0.496 3.053 -4.624 603 HG13 ILE 100 HG13 ILE 100 0.867 3.584 -5.604 604 HG21 ILE 100 HG21 ILE 100 1.237 -0.018 -3.372 605 HG22 ILE 100 HG22 ILE 100 -0.253 0.916 -3.219 606 HG23 ILE 100 HG23 ILE 100 0.110 0.074 -4.726 607 HD11 ILE 100 HD13 ILE 100 -0.891 2.694 -7.007 608 HD12 ILE 100 HD11 ILE 100 0.523 1.642 -7.083 609 HD13 ILE 100 HD12 ILE 100 -0.872 1.178 -6.110 610 H ILE 101 HN ILE 101 2.444 2.396 -0.751 611 HA ILE 101 HA ILE 101 5.124 1.467 -1.191 612 HB ILE 101 HB ILE 101 5.265 1.348 1.305 613 HG12 ILE 101 HG12 ILE 101 2.471 2.494 1.131 614 HG13 ILE 101 HG13 ILE 101 2.897 0.915 1.784 615 HG21 ILE 101 HG21 ILE 101 5.957 3.298 0.051 616 HG22 ILE 101 HG22 ILE 101 4.311 3.926 0.083 617 HG23 ILE 101 HG23 ILE 101 5.227 3.782 1.583 618 HD11 ILE 101 HD13 ILE 101 2.465 2.592 3.524 619 HD12 ILE 101 HD11 ILE 101 4.109 1.955 3.595 620 HD13 ILE 101 HD12 ILE 101 3.806 3.553 2.910 621 H GLY 102 HN GLY 102 2.090 -0.065 -0.475 622 HA2 GLY 102 HA1 GLY 102 3.063 -2.610 -1.137 623 HA3 GLY 102 HA2 GLY 102 3.077 -2.470 0.617 624 H GLU 103 HN GLU 103 1.534 -4.354 0.137 625 HA GLU 103 HA GLU 103 -1.190 -3.268 -0.115 626 HB2 GLU 103 HB2 GLU 103 -0.311 -6.139 -0.492 627 HB3 GLU 103 HB3 GLU 103 -1.941 -5.520 -0.692 628 HG2 GLU 103 HG2 GLU 103 -0.936 -4.013 -2.507 629 HG3 GLU 103 HG3 GLU 103 0.459 -5.085 -2.429 630 H LEU 104 HN LEU 104 -2.689 -5.092 1.177 631 HA LEU 104 HA LEU 104 -1.635 -4.811 3.891 632 HG LEU 104 HG LEU 104 -4.870 -3.138 4.349 633 HB2 LEU 104 HB2 LEU 104 -4.433 -5.104 2.853 634 HB3 LEU 104 HB3 LEU 104 -4.061 -5.353 4.545 635 HD11 LEU 104 HD11 LEU 104 -1.864 -3.085 4.500 636 HD12 LEU 104 HD12 LEU 104 -2.922 -1.759 4.976 637 HD13 LEU 104 HD13 LEU 104 -2.992 -3.294 5.841 638 HD21 LEU 104 HD23 LEU 104 -3.949 -1.493 2.788 639 HD22 LEU 104 HD21 LEU 104 -2.890 -2.731 2.112 640 HD23 LEU 104 HD22 LEU 104 -4.640 -2.877 1.942 641 H HIS 105 HN HIS 105 -2.313 -6.457 5.492 642 HA HIS 105 HA HIS 105 -1.303 -9.007 4.748 643 HD1 HIS 105 HD1 HIS 105 -3.526 -10.353 8.237 644 HD2 HIS 105 HD2 HIS 105 0.413 -10.426 6.891 645 HE1 HIS 105 HE1 HIS 105 -2.592 -12.556 9.007 646 HE2 HIS 105 HE2 HIS 105 -0.224 -12.617 8.116 647 HB2 HIS 105 HB2 HIS 105 -1.059 -7.949 6.999 648 HB3 HIS 105 HB3 HIS 105 -2.783 -8.159 7.260 649 HA PRO 106 HA PRO 106 -5.007 -11.546 3.798 650 HB2 PRO 106 HB2 PRO 106 -3.731 -13.072 6.043 651 HB3 PRO 106 HB3 PRO 106 -4.440 -13.682 4.544 652 HG2 PRO 106 HG2 PRO 106 -1.802 -13.453 4.825 653 HG3 PRO 106 HG3 PRO 106 -2.593 -13.101 3.278 654 HD2 PRO 106 HD2 PRO 106 -1.360 -11.255 5.228 655 HD3 PRO 106 HD3 PRO 106 -1.645 -11.036 3.491 656 H ASP 107 HN ASP 107 -6.271 -9.857 4.707 657 HA ASP 107 HA ASP 107 -7.834 -10.386 6.987 658 HB2 ASP 107 HB2 ASP 107 -5.633 -9.517 8.034 659 HB3 ASP 107 HB3 ASP 107 -6.004 -7.964 7.286 660 H ASP 108 HN ASP 108 -6.328 -8.023 4.910 661 HA ASP 108 HA ASP 108 -8.973 -7.075 4.019 662 HB2 ASP 108 HB2 ASP 108 -7.795 -5.235 5.054 663 HB3 ASP 108 HB3 ASP 108 -6.316 -5.638 4.182 664 H ARG 109 HN ARG 109 -5.641 -7.799 3.113 665 HA ARG 109 HA ARG 109 -5.560 -7.572 0.410 666 HE ARG 109 HE ARG 109 -4.098 -11.911 0.974 667 HB2 ARG 109 HB2 ARG 109 -3.718 -8.457 1.865 668 HB3 ARG 109 HB3 ARG 109 -4.562 -10.001 1.917 669 HG2 ARG 109 HG2 ARG 109 -4.437 -9.933 -0.640 670 HG3 ARG 109 HG3 ARG 109 -3.238 -8.662 -0.408 671 HD2 ARG 109 HD2 ARG 109 -2.023 -10.658 -0.624 672 HD3 ARG 109 HD3 ARG 109 -2.013 -10.273 1.096 673 HH11 ARG 109 HH12 ARG 109 -0.903 -12.209 -0.452 674 HH12 ARG 109 HH11 ARG 109 -0.916 -13.941 -0.415 675 HH21 ARG 109 HH22 ARG 109 -4.108 -14.187 1.061 676 HH22 ARG 109 HH21 ARG 109 -2.740 -15.074 0.459 677 HA PRO 110 HA PRO 110 -9.205 -9.146 -1.255 678 HB2 PRO 110 HB2 PRO 110 -7.415 -10.660 -3.114 679 HB3 PRO 110 HB3 PRO 110 -8.867 -9.706 -3.456 680 HG2 PRO 110 HG2 PRO 110 -6.300 -8.751 -3.716 681 HG3 PRO 110 HG3 PRO 110 -7.729 -7.737 -3.468 682 HD2 PRO 110 HD2 PRO 110 -5.511 -8.175 -1.672 683 HD3 PRO 110 HD3 PRO 110 -6.916 -7.119 -1.437 684 H LYS 111 HN LYS 111 -10.098 -10.390 0.200 685 HA LYS 111 HA LYS 111 -9.115 -12.960 0.943 686 HB2 LYS 111 HB2 LYS 111 -11.706 -11.481 1.475 687 HB3 LYS 111 HB3 LYS 111 -11.313 -13.042 2.193 688 HG2 LYS 111 HG2 LYS 111 -9.394 -12.102 3.300 689 HG3 LYS 111 HG3 LYS 111 -9.637 -10.553 2.492 690 HD2 LYS 111 HD2 LYS 111 -11.732 -11.751 4.273 691 HD3 LYS 111 HD3 LYS 111 -10.402 -10.784 4.914 692 HE2 LYS 111 HE2 LYS 111 -11.147 -9.083 3.075 693 HE3 LYS 111 HE3 LYS 111 -12.671 -9.965 3.157 694 HZ1 LYS 111 HZ3 LYS 111 -11.304 -8.699 5.474 695 HZ2 LYS 111 HZ1 LYS 111 -12.804 -9.491 5.519 696 HZ3 LYS 111 HZ2 LYS 111 -12.627 -8.043 4.648 697 H LEU 112 HN LEU 112 -9.014 -14.329 -0.724 698 HA LEU 112 HA LEU 112 -9.754 -15.930 -2.166 699 HG LEU 112 HG LEU 112 -12.187 -15.932 -4.146 700 HB2 LEU 112 HB2 LEU 112 -11.980 -16.008 -1.126 701 HB3 LEU 112 HB3 LEU 112 -12.469 -14.611 -2.066 702 HD11 LEU 112 HD11 LEU 112 -10.512 -17.540 -3.292 703 HD12 LEU 112 HD12 LEU 112 -11.765 -18.271 -2.287 704 HD13 LEU 112 HD13 LEU 112 -11.898 -18.334 -4.044 705 HD21 LEU 112 HD23 LEU 112 -14.196 -17.277 -3.840 706 HD22 LEU 112 HD21 LEU 112 -13.997 -17.187 -2.089 707 HD23 LEU 112 HD22 LEU 112 -14.354 -15.728 -3.012 708 H ASN 113 HN ASN 113 -9.154 -15.935 -4.215 709 HA ASN 113 HA ASN 113 -9.180 -15.527 -6.448 710 HB2 ASN 113 HB2 ASN 113 -11.678 -15.084 -5.838 711 HB3 ASN 113 HB3 ASN 113 -11.261 -13.399 -6.140 712 HD21 ASN 113 HD21 ASN 113 -10.647 -12.776 -8.215 713 HD22 ASN 113 HD22 ASN 113 -11.019 -13.744 -9.599 714 H LYS 114 HN LYS 114 -7.131 -14.444 -5.359 715 HA LYS 114 HA LYS 114 -6.887 -11.798 -6.625 716 HB2 LYS 114 HB2 LYS 114 -6.695 -11.627 -4.150 717 HB3 LYS 114 HB3 LYS 114 -5.342 -12.749 -4.195 718 HG2 LYS 114 HG2 LYS 114 -4.144 -11.099 -5.674 719 HG3 LYS 114 HG3 LYS 114 -5.456 -9.963 -5.347 720 HD2 LYS 114 HD2 LYS 114 -4.972 -10.342 -2.877 721 HD3 LYS 114 HD3 LYS 114 -3.497 -11.157 -3.386 722 HE2 LYS 114 HE2 LYS 114 -4.218 -8.302 -4.056 723 HE3 LYS 114 HE3 LYS 114 -3.158 -8.790 -2.739 724 HZ1 LYS 114 HZ3 LYS 114 -1.732 -8.224 -4.456 725 HZ2 LYS 114 HZ1 LYS 114 -2.679 -8.981 -5.644 726 HZ3 LYS 114 HZ2 LYS 114 -1.798 -9.918 -4.549 727 HA PRO 115 HA PRO 115 -4.323 -14.292 -9.262 728 HB2 PRO 115 HB2 PRO 115 -3.204 -12.144 -10.627 729 HB3 PRO 115 HB3 PRO 115 -4.693 -12.983 -11.065 730 HG2 PRO 115 HG2 PRO 115 -4.318 -10.400 -9.659 731 HG3 PRO 115 HG3 PRO 115 -5.619 -10.918 -10.743 732 HD2 PRO 115 HD2 PRO 115 -5.913 -10.751 -8.042 733 HD3 PRO 115 HD3 PRO 115 -6.813 -11.907 -9.040 734 HA PRO 116 HA PRO 116 -0.545 -13.948 -6.998 735 HB2 PRO 116 HB2 PRO 116 0.415 -16.378 -8.014 736 HB3 PRO 116 HB3 PRO 116 -0.596 -16.158 -6.586 737 HG2 PRO 116 HG2 PRO 116 -1.340 -17.444 -8.987 738 HG3 PRO 116 HG3 PRO 116 -2.401 -17.000 -7.642 739 HD2 PRO 116 HD2 PRO 116 -1.910 -15.591 -10.215 740 HD3 PRO 116 HD3 PRO 116 -3.390 -15.683 -9.238 741 H GLU 117 HN GLU 117 1.609 -15.572 -8.195 742 HA GLU 117 HA GLU 117 3.467 -13.826 -8.847 743 HB2 GLU 117 HB2 GLU 117 3.345 -16.282 -10.560 744 HB3 GLU 117 HB3 GLU 117 4.737 -15.513 -9.817 745 HG2 GLU 117 HG2 GLU 117 2.630 -17.160 -8.443 746 HG3 GLU 117 HG3 GLU 117 4.316 -17.578 -8.707 747 H THR 118 HN THR 118 1.431 -15.262 -11.417 748 HA THR 118 HA THR 118 2.832 -13.630 -13.374 749 HB THR 118 HB THR 118 2.560 -15.992 -13.843 750 HG1 THR 118 HG1 THR 118 1.292 -14.111 -15.532 751 HG21 THR 118 HG23 THR 118 -0.403 -15.427 -13.765 752 HG22 THR 118 HG21 THR 118 0.515 -16.509 -12.716 753 HG23 THR 118 HG22 THR 118 0.316 -16.895 -14.424 754 H LEU 119 HN LEU 119 0.225 -13.129 -11.493 755 HA LEU 119 HA LEU 119 -1.659 -11.894 -11.549 756 HG LEU 119 HG LEU 119 -0.018 -8.631 -11.644 757 HB2 LEU 119 HB2 LEU 119 0.062 -10.370 -13.484 758 HB3 LEU 119 HB3 LEU 119 -1.521 -9.804 -12.993 759 HD11 LEU 119 HD11 LEU 119 -0.933 -10.988 -10.005 760 HD12 LEU 119 HD12 LEU 119 -0.434 -9.416 -9.377 761 HD13 LEU 119 HD13 LEU 119 -1.879 -9.546 -10.376 762 HD21 LEU 119 HD23 LEU 119 1.406 -11.232 -11.147 763 HD22 LEU 119 HD21 LEU 119 1.994 -9.860 -12.090 764 HD23 LEU 119 HD22 LEU 119 1.779 -9.708 -10.346 765 H ILE 120 HN ILE 120 -1.103 -11.086 -14.893 766 HA ILE 120 HA ILE 120 -3.742 -12.260 -15.491 767 HB ILE 120 HB ILE 120 -2.442 -9.866 -16.798 768 HG12 ILE 120 HG12 ILE 120 -3.005 -9.399 -14.441 769 HG13 ILE 120 HG13 ILE 120 -4.010 -8.473 -15.547 770 HG21 ILE 120 HG21 ILE 120 -5.237 -10.972 -17.020 771 HG22 ILE 120 HG22 ILE 120 -4.669 -9.470 -17.751 772 HG23 ILE 120 HG23 ILE 120 -3.986 -11.013 -18.263 773 HD11 ILE 120 HD13 ILE 120 -4.859 -11.003 -14.161 774 HD12 ILE 120 HD11 ILE 120 -5.238 -9.370 -13.616 775 HD13 ILE 120 HD12 ILE 120 -5.869 -9.955 -15.156 776 H THR 121 HN THR 121 -3.745 -13.830 -16.980 777 HA THR 121 HA THR 121 -1.399 -14.133 -18.719 778 HB THR 121 HB THR 121 -2.291 -16.493 -19.028 779 HG1 THR 121 HG1 THR 121 -4.365 -16.393 -18.335 780 HG21 THR 121 HG23 THR 121 -1.529 -15.637 -16.230 781 HG22 THR 121 HG21 THR 121 -0.412 -16.032 -17.536 782 HG23 THR 121 HG22 THR 121 -1.448 -17.286 -16.853 783 H THR 122 HN THR 122 -3.040 -12.199 -19.641 784 HA THR 122 HA THR 122 -4.938 -13.321 -21.525 785 HB THR 122 HB THR 122 -5.053 -10.862 -22.281 786 HG1 THR 122 HG1 THR 122 -3.850 -9.461 -21.229 787 HG21 THR 122 HG23 THR 122 -6.730 -11.965 -20.825 788 HG22 THR 122 HG21 THR 122 -6.502 -10.262 -20.429 789 HG23 THR 122 HG22 THR 122 -5.771 -11.506 -19.418 790 H ILE 123 HN ILE 123 -1.640 -12.881 -21.444 791 HA ILE 123 HA ILE 123 -1.468 -12.717 -24.368 792 HB ILE 123 HB ILE 123 0.915 -12.127 -24.102 793 HG12 ILE 123 HG12 ILE 123 1.041 -13.148 -21.715 794 HG13 ILE 123 HG13 ILE 123 1.981 -11.708 -22.076 795 HG21 ILE 123 HG21 ILE 123 -1.035 -10.307 -22.715 796 HG22 ILE 123 HG22 ILE 123 0.549 -9.823 -23.319 797 HG23 ILE 123 HG23 ILE 123 -0.691 -10.380 -24.442 798 HD11 ILE 123 HD13 ILE 123 1.121 -11.124 -20.055 799 HD12 ILE 123 HD11 ILE 123 -0.148 -10.493 -21.102 800 HD13 ILE 123 HD12 ILE 123 -0.368 -12.039 -20.287 801 H ASP 124 HN ASP 124 -2.304 -15.028 -23.736 802 HA ASP 124 HA ASP 124 -0.265 -16.883 -22.894 803 HB2 ASP 124 HB2 ASP 124 -2.008 -18.569 -23.083 804 HB3 ASP 124 HB3 ASP 124 -2.655 -17.157 -22.254 805 H SER 125 HN SER 125 -1.021 -19.078 -24.583 806 HA SER 125 HA SER 125 0.797 -18.547 -26.733 807 HG SER 125 HG SER 125 1.472 -20.610 -27.765 808 HB2 SER 125 HB2 SER 125 0.778 -20.712 -25.534 809 HB3 SER 125 HB3 SER 125 -0.836 -21.034 -26.163 810 H SER 126 HN SER 126 -2.632 -19.096 -26.400 811 HA SER 126 HA SER 126 -4.423 -18.818 -27.699 812 HG SER 126 HG SER 126 -1.736 -17.121 -28.976 813 HB2 SER 126 HB2 SER 126 -4.446 -16.812 -29.140 814 HB3 SER 126 HB3 SER 126 -3.831 -16.520 -27.518 815 H SER 127 HN SER 127 -1.953 -20.376 -29.003 816 HA SER 127 HA SER 127 -1.580 -21.595 -30.887 817 HG SER 127 HG SER 127 -4.684 -22.283 -29.589 818 HB2 SER 127 HB2 SER 127 -4.546 -21.174 -31.378 819 HB3 SER 127 HB3 SER 127 -3.541 -22.438 -32.086 820 H SER 128 HN SER 128 -2.644 -21.386 -33.512 821 HA SER 128 HA SER 128 -2.735 -18.626 -34.281 822 HG SER 128 HG SER 128 -0.580 -21.179 -35.465 823 HB2 SER 128 HB2 SER 128 -0.724 -18.857 -35.828 824 HB3 SER 128 HB3 SER 128 -0.365 -18.701 -34.108 825 HHA HEM 129 HHA HEM 129 -5.269 17.182 -6.618 826 HHB HEM 129 HHB HEM 129 -1.567 11.934 -6.025 827 HHC HEM 129 HHC HEM 129 -4.638 10.411 -0.648 828 HHD HEM 129 HHD HEM 129 -8.844 15.209 -1.643 829 HAB HEM 129 HAB HEM 129 -2.278 9.035 -0.809 830 HAC HEM 129 HAC HEM 129 -9.714 13.847 0.029 831 HMA1 HEM 129 HMA1 HEM 129 -1.059 14.874 -8.650 832 HMA2 HEM 129 HMA2 HEM 129 -0.275 14.219 -7.211 833 HMA3 HEM 129 HMA3 HEM 129 -1.187 13.156 -8.295 834 HAA1 HEM 129 HAA1 HEM 129 -2.504 16.754 -8.798 835 HAA2 HEM 129 HAA2 HEM 129 -3.212 15.478 -9.120 836 HBA1 HEM 129 HBA1 HEM 129 -4.839 17.547 -9.479 837 HBA2 HEM 129 HBA2 HEM 129 -5.588 16.174 -8.638 838 HMB1 HEM 129 HMB1 HEM 129 0.379 10.941 -3.326 839 HMB2 HEM 129 HMB2 HEM 129 -0.304 9.681 -4.548 840 HMB3 HEM 129 HMB3 HEM 129 -0.456 9.741 -3.032 841 HBB1 HEM 129 HBB1 HEM 129 -3.294 7.928 -3.458 842 HBB2 HEM 129 HBB2 HEM 129 -2.705 6.983 -1.955 843 HMC1 HEM 129 HMC1 HEM 129 -7.309 11.305 1.798 844 HMC2 HEM 129 HMC2 HEM 129 -7.241 10.052 0.555 845 HMC3 HEM 129 HMC3 HEM 129 -5.740 10.765 1.247 846 HBC1 HEM 129 HBC1 HEM 129 -9.786 13.664 2.377 847 HBC2 HEM 129 HBC2 HEM 129 -8.120 12.855 2.440 848 HMD1 HEM 129 HMD1 HEM 129 -9.705 17.120 -2.242 849 HMD2 HEM 129 HMD2 HEM 129 -9.763 18.286 -3.708 850 HMD3 HEM 129 HMD3 HEM 129 -8.641 18.095 -2.713 851 HAD1 HEM 129 HAD1 HEM 129 -7.146 18.974 -6.029 852 HAD2 HEM 129 HAD2 HEM 129 -7.151 17.609 -6.676 853 HBD1 HEM 129 HBD1 HEM 129 -9.183 18.962 -7.342 854 HBD2 HEM 129 HBD2 HEM 129 -9.829 17.591 -6.420 Start of MODEL 17 1 HA MET 21 HA MET 21 -11.708 -15.151 -11.462 2 H1 MET 21 1H MET 21 -9.798 -13.265 -12.266 3 HB2 MET 21 HB2 MET 21 -11.078 -16.245 -13.637 4 HB3 MET 21 HB3 MET 21 -9.431 -16.372 -13.041 5 HG2 MET 21 HG2 MET 21 -10.191 -17.779 -11.210 6 HG3 MET 21 HG3 MET 21 -11.846 -17.670 -11.809 7 HE1 MET 21 HE3 MET 21 -12.540 -18.504 -14.244 8 HE2 MET 21 HE1 MET 21 -11.142 -17.822 -15.072 9 HE3 MET 21 HE2 MET 21 -11.533 -19.528 -15.269 10 H ALA 22 HN ALA 22 -8.186 -15.049 -11.946 11 HA ALA 22 HA ALA 22 -7.804 -14.750 -9.072 12 HB1 ALA 22 HB3 ALA 22 -7.657 -17.159 -9.456 13 HB2 ALA 22 HB1 ALA 22 -6.430 -16.898 -10.694 14 HB3 ALA 22 HB2 ALA 22 -6.085 -16.494 -9.012 15 H GLU 23 HN GLU 23 -5.121 -14.711 -8.900 16 HA GLU 23 HA GLU 23 -4.511 -12.349 -10.491 17 HB2 GLU 23 HB2 GLU 23 -2.478 -12.214 -8.970 18 HB3 GLU 23 HB3 GLU 23 -4.049 -12.002 -8.211 19 HG2 GLU 23 HG2 GLU 23 -2.625 -14.644 -8.228 20 HG3 GLU 23 HG3 GLU 23 -2.340 -13.427 -6.985 21 H GLN 24 HN GLN 24 -2.492 -12.069 -11.542 22 HA GLN 24 HA GLN 24 -1.239 -14.601 -12.376 23 HB2 GLN 24 HB2 GLN 24 -1.670 -12.101 -14.023 24 HB3 GLN 24 HB3 GLN 24 -0.725 -13.487 -14.543 25 HG2 GLN 24 HG2 GLN 24 -2.736 -14.893 -14.379 26 HG3 GLN 24 HG3 GLN 24 -3.667 -13.467 -13.923 27 HE21 GLN 24 HE21 GLN 24 -2.041 -15.121 -16.509 28 HE22 GLN 24 HE22 GLN 24 -2.708 -14.179 -17.796 29 H SER 25 HN SER 25 -0.774 -11.114 -11.916 30 HA SER 25 HA SER 25 2.129 -11.560 -11.645 31 HG SER 25 HG SER 25 1.251 -11.103 -13.820 32 HB2 SER 25 HB2 SER 25 0.625 -9.001 -12.250 33 HB3 SER 25 HB3 SER 25 2.373 -9.232 -12.320 34 H ASP 26 HN ASP 26 -0.609 -11.158 -9.903 35 HA ASP 26 HA ASP 26 0.358 -9.082 -8.104 36 HB2 ASP 26 HB2 ASP 26 -2.345 -10.376 -7.888 37 HB3 ASP 26 HB3 ASP 26 -1.862 -8.727 -7.493 38 H GLU 27 HN GLU 27 1.191 -12.027 -8.166 39 HA GLU 27 HA GLU 27 -0.040 -13.555 -6.256 40 HB2 GLU 27 HB2 GLU 27 2.887 -13.555 -6.975 41 HB3 GLU 27 HB3 GLU 27 2.023 -14.868 -6.186 42 HG2 GLU 27 HG2 GLU 27 0.607 -15.124 -8.152 43 HG3 GLU 27 HG3 GLU 27 1.465 -13.800 -8.941 44 H ALA 28 HN ALA 28 3.034 -11.838 -5.735 45 HA ALA 28 HA ALA 28 2.445 -11.968 -2.865 46 HB1 ALA 28 HB3 ALA 28 4.707 -12.555 -2.383 47 HB2 ALA 28 HB1 ALA 28 4.087 -13.676 -3.597 48 HB3 ALA 28 HB2 ALA 28 5.168 -12.369 -4.077 49 H VAL 29 HN VAL 29 1.693 -9.676 -3.676 50 HA VAL 29 HA VAL 29 3.711 -7.639 -3.488 51 HB VAL 29 HB VAL 29 0.776 -7.456 -2.740 52 HG11 VAL 29 HG11 VAL 29 2.173 -5.619 -1.883 53 HG12 VAL 29 HG12 VAL 29 2.745 -5.295 -3.518 54 HG13 VAL 29 HG13 VAL 29 1.042 -5.057 -3.113 55 HG21 VAL 29 HG23 VAL 29 0.399 -6.603 -4.998 56 HG22 VAL 29 HG21 VAL 29 2.096 -6.876 -5.393 57 HG23 VAL 29 HG22 VAL 29 1.041 -8.246 -5.042 58 H LYS 30 HN LYS 30 4.626 -6.791 -1.588 59 HA LYS 30 HA LYS 30 4.438 -8.396 0.721 60 HB2 LYS 30 HB2 LYS 30 6.421 -6.951 0.240 61 HB3 LYS 30 HB3 LYS 30 5.444 -5.545 0.652 62 HG2 LYS 30 HG2 LYS 30 5.036 -6.647 2.890 63 HG3 LYS 30 HG3 LYS 30 6.301 -7.793 2.448 64 HD2 LYS 30 HD2 LYS 30 7.863 -5.906 2.172 65 HD3 LYS 30 HD3 LYS 30 6.592 -4.804 2.708 66 HE2 LYS 30 HE2 LYS 30 7.869 -7.031 4.286 67 HE3 LYS 30 HE3 LYS 30 8.021 -5.300 4.572 68 HZ1 LYS 30 HZ3 LYS 30 6.459 -6.308 6.117 69 HZ2 LYS 30 HZ1 LYS 30 5.517 -6.892 4.840 70 HZ3 LYS 30 HZ2 LYS 30 5.649 -5.226 5.103 71 H TYR 31 HN TYR 31 3.290 -8.150 2.617 72 HA TYR 31 HA TYR 31 1.025 -6.328 2.381 73 HD1 TYR 31 HD2 TYR 31 -0.366 -7.417 1.025 74 HD2 TYR 31 HD1 TYR 31 0.899 -10.891 3.143 75 HE1 TYR 31 HE2 TYR 31 -1.027 -8.819 -0.884 76 HE2 TYR 31 HE1 TYR 31 0.246 -12.298 1.240 77 HH TYR 31 HH TYR 31 -1.382 -12.120 -0.733 78 HB2 TYR 31 HB2 TYR 31 1.271 -8.806 4.100 79 HB3 TYR 31 HB3 TYR 31 -0.171 -7.823 3.884 80 H TYR 32 HN TYR 32 0.161 -5.510 4.451 81 HA TYR 32 HA TYR 32 2.123 -5.384 6.627 82 HD1 TYR 32 HD1 TYR 32 1.932 -3.328 3.475 83 HD2 TYR 32 HD2 TYR 32 3.566 -2.494 7.324 84 HE1 TYR 32 HE1 TYR 32 3.996 -2.518 2.420 85 HE2 TYR 32 HE2 TYR 32 5.650 -1.686 6.270 86 HH TYR 32 HH TYR 32 6.862 -1.947 4.144 87 HB2 TYR 32 HB2 TYR 32 0.480 -3.095 5.513 88 HB3 TYR 32 HB3 TYR 32 1.243 -3.043 7.100 89 H THR 33 HN THR 33 0.955 -4.765 8.731 90 HA THR 33 HA THR 33 -1.409 -6.460 8.819 91 HB THR 33 HB THR 33 -1.226 -6.204 11.294 92 HG1 THR 33 HG1 THR 33 1.102 -4.720 10.554 93 HG21 THR 33 HG23 THR 33 -0.184 -8.051 10.040 94 HG22 THR 33 HG21 THR 33 0.710 -7.623 11.499 95 HG23 THR 33 HG22 THR 33 1.300 -7.098 9.920 96 H LEU 34 HN LEU 34 -3.368 -5.865 9.723 97 HA LEU 34 HA LEU 34 -4.268 -3.365 8.696 98 HG LEU 34 HG LEU 34 -6.993 -3.272 10.138 99 HB2 LEU 34 HB2 LEU 34 -5.566 -5.479 8.662 100 HB3 LEU 34 HB3 LEU 34 -5.728 -5.396 10.402 101 HD11 LEU 34 HD11 LEU 34 -7.813 -2.687 7.888 102 HD12 LEU 34 HD12 LEU 34 -6.059 -2.546 8.020 103 HD13 LEU 34 HD13 LEU 34 -6.773 -3.939 7.208 104 HD21 LEU 34 HD23 LEU 34 -8.096 -5.635 8.623 105 HD22 LEU 34 HD21 LEU 34 -8.181 -5.381 10.367 106 HD23 LEU 34 HD22 LEU 34 -9.039 -4.296 9.274 107 H GLU 35 HN GLU 35 -3.379 -4.600 11.795 108 HA GLU 35 HA GLU 35 -4.561 -2.546 13.392 109 HB2 GLU 35 HB2 GLU 35 -3.097 -3.485 15.199 110 HB3 GLU 35 HB3 GLU 35 -4.185 -4.641 14.450 111 HG2 GLU 35 HG2 GLU 35 -1.433 -4.443 13.359 112 HG3 GLU 35 HG3 GLU 35 -1.635 -5.178 14.948 113 H GLU 36 HN GLU 36 -1.542 -2.930 11.733 114 HA GLU 36 HA GLU 36 -0.127 -1.064 13.406 115 HB2 GLU 36 HB2 GLU 36 1.796 -1.567 12.150 116 HB3 GLU 36 HB3 GLU 36 0.893 -3.074 12.174 117 HG2 GLU 36 HG2 GLU 36 0.128 -2.719 9.922 118 HG3 GLU 36 HG3 GLU 36 0.864 -1.115 9.890 119 H ILE 37 HN ILE 37 -1.855 -1.024 10.434 120 HA ILE 37 HA ILE 37 -0.867 1.476 9.494 121 HB ILE 37 HB ILE 37 -3.395 -0.010 8.718 122 HG12 ILE 37 HG12 ILE 37 -0.631 0.010 7.476 123 HG13 ILE 37 HG13 ILE 37 -1.363 -1.327 8.356 124 HG21 ILE 37 HG21 ILE 37 -3.344 1.330 6.667 125 HG22 ILE 37 HG22 ILE 37 -3.486 2.365 8.087 126 HG23 ILE 37 HG23 ILE 37 -1.935 2.206 7.261 127 HD11 ILE 37 HD13 ILE 37 -2.246 -0.205 5.710 128 HD12 ILE 37 HD11 ILE 37 -1.495 -1.772 6.016 129 HD13 ILE 37 HD12 ILE 37 -3.119 -1.441 6.616 130 H GLN 38 HN GLN 38 -3.417 0.425 11.575 131 HA GLN 38 HA GLN 38 -4.840 2.848 11.839 132 HB2 GLN 38 HB2 GLN 38 -4.476 0.430 13.594 133 HB3 GLN 38 HB3 GLN 38 -5.434 1.806 14.115 134 HG2 GLN 38 HG2 GLN 38 -5.947 0.369 11.526 135 HG3 GLN 38 HG3 GLN 38 -6.695 -0.108 13.050 136 HE21 GLN 38 HE21 GLN 38 -6.461 2.449 10.651 137 HE22 GLN 38 HE22 GLN 38 -7.944 3.224 11.090 138 H LYS 39 HN LYS 39 -1.999 1.548 13.505 139 HA LYS 39 HA LYS 39 -1.942 3.830 15.299 140 HB2 LYS 39 HB2 LYS 39 0.108 2.661 16.211 141 HB3 LYS 39 HB3 LYS 39 -1.403 1.771 16.324 142 HG2 LYS 39 HG2 LYS 39 -0.751 0.563 14.241 143 HG3 LYS 39 HG3 LYS 39 0.828 1.335 14.367 144 HD2 LYS 39 HD2 LYS 39 1.080 -0.791 15.378 145 HD3 LYS 39 HD3 LYS 39 0.950 0.362 16.707 146 HE2 LYS 39 HE2 LYS 39 -1.479 -1.046 15.663 147 HE3 LYS 39 HE3 LYS 39 -0.414 -1.838 16.820 148 HZ1 LYS 39 HZ3 LYS 39 -1.729 0.793 17.262 149 HZ2 LYS 39 HZ1 LYS 39 -0.804 -0.074 18.387 150 HZ3 LYS 39 HZ2 LYS 39 -2.303 -0.680 17.861 151 H HIS 40 HN HIS 40 -1.339 3.703 12.254 152 HA HIS 40 HA HIS 40 0.938 5.575 12.392 153 HD1 HIS 40 HD1 HIS 40 1.569 1.734 9.844 154 HD2 HIS 40 HD2 HIS 40 3.159 4.467 12.539 155 HE1 HIS 40 HE1 HIS 40 3.618 0.631 10.776 156 HE2 HIS 40 HE2 HIS 40 4.675 2.373 12.253 157 HB2 HIS 40 HB2 HIS 40 0.119 3.729 10.120 158 HB3 HIS 40 HB3 HIS 40 1.265 5.045 9.935 159 H ASN 41 HN ASN 41 -1.840 6.138 12.907 160 HA ASN 41 HA ASN 41 -2.901 7.400 10.471 161 HB2 ASN 41 HB2 ASN 41 -5.010 7.212 11.417 162 HB3 ASN 41 HB3 ASN 41 -4.200 5.809 12.099 163 HD21 ASN 41 HD21 ASN 41 -3.709 5.768 14.284 164 HD22 ASN 41 HD22 ASN 41 -4.340 6.924 15.414 165 H HIS 42 HN HIS 42 -0.921 8.306 12.840 166 HA HIS 42 HA HIS 42 -2.367 10.728 13.703 167 HD1 HIS 42 HD1 HIS 42 1.072 9.253 13.455 168 HD2 HIS 42 HD2 HIS 42 -0.164 7.718 17.119 169 HE1 HIS 42 HE1 HIS 42 2.874 7.641 14.140 170 HE2 HIS 42 HE2 HIS 42 2.203 6.878 16.468 171 HB2 HIS 42 HB2 HIS 42 -0.966 10.584 15.755 172 HB3 HIS 42 HB3 HIS 42 -2.004 9.182 15.520 173 H SER 43 HN SER 43 -0.788 12.416 14.639 174 HA SER 43 HA SER 43 0.295 13.969 12.827 175 HG SER 43 HG SER 43 2.213 13.572 16.359 176 HB2 SER 43 HB2 SER 43 1.985 14.718 14.588 177 HB3 SER 43 HB3 SER 43 0.294 14.689 15.081 178 H LYS 44 HN LYS 44 2.261 11.571 14.454 179 HA LYS 44 HA LYS 44 4.737 12.067 13.392 180 HB2 LYS 44 HB2 LYS 44 4.147 10.573 15.303 181 HB3 LYS 44 HB3 LYS 44 3.641 9.368 14.137 182 HG2 LYS 44 HG2 LYS 44 5.905 9.238 13.251 183 HG3 LYS 44 HG3 LYS 44 6.431 10.472 14.399 184 HD2 LYS 44 HD2 LYS 44 5.325 7.747 15.092 185 HD3 LYS 44 HD3 LYS 44 7.014 8.243 15.203 186 HE2 LYS 44 HE2 LYS 44 4.732 9.457 16.759 187 HE3 LYS 44 HE3 LYS 44 5.883 8.279 17.387 188 HZ1 LYS 44 HZ3 LYS 44 6.455 10.559 17.990 189 HZ2 LYS 44 HZ1 LYS 44 6.593 10.973 16.357 190 HZ3 LYS 44 HZ2 LYS 44 7.659 9.842 17.040 191 H SER 45 HN SER 45 2.109 10.340 11.863 192 HA SER 45 HA SER 45 3.561 9.874 9.450 193 HG SER 45 HG SER 45 5.237 8.956 10.627 194 HB2 SER 45 HB2 SER 45 3.033 7.536 11.288 195 HB3 SER 45 HB3 SER 45 3.396 7.353 9.579 196 H THR 46 HN THR 46 2.164 9.391 7.726 197 HA THR 46 HA THR 46 -0.603 8.774 8.514 198 HB THR 46 HB THR 46 -1.376 10.133 6.537 199 HG1 THR 46 HG1 THR 46 0.158 10.696 5.249 200 HG21 THR 46 HG23 THR 46 -1.120 12.307 7.643 201 HG22 THR 46 HG21 THR 46 0.142 11.633 8.673 202 HG23 THR 46 HG22 THR 46 -1.514 11.039 8.805 203 H TRP 47 HN TRP 47 -1.134 6.828 7.787 204 HA TRP 47 HA TRP 47 -0.375 6.082 5.038 205 HD1 TRP 47 HD1 TRP 47 1.803 6.178 5.790 206 HE1 TRP 47 HE1 TRP 47 4.115 5.078 6.127 207 HE3 TRP 47 HE3 TRP 47 0.255 1.560 7.288 208 HZ2 TRP 47 HZ2 TRP 47 5.122 2.532 6.908 209 HZ3 TRP 47 HZ3 TRP 47 1.944 -0.161 7.780 210 HH2 TRP 47 HH2 TRP 47 4.325 0.321 7.588 211 HB2 TRP 47 HB2 TRP 47 -0.802 4.281 7.420 212 HB3 TRP 47 HB3 TRP 47 -0.849 3.694 5.767 213 H LEU 48 HN LEU 48 -2.010 5.376 3.684 214 HA LEU 48 HA LEU 48 -4.654 5.106 4.919 215 HG LEU 48 HG LEU 48 -4.232 5.522 1.278 216 HB2 LEU 48 HB2 LEU 48 -5.777 6.252 3.180 217 HB3 LEU 48 HB3 LEU 48 -4.472 7.296 3.705 218 HD11 LEU 48 HD11 LEU 48 -5.089 8.402 1.346 219 HD12 LEU 48 HD12 LEU 48 -4.837 7.405 -0.088 220 HD13 LEU 48 HD13 LEU 48 -6.154 7.034 1.026 221 HD21 LEU 48 HD23 LEU 48 -2.166 6.434 2.305 222 HD22 LEU 48 HD21 LEU 48 -2.456 6.994 0.658 223 HD23 LEU 48 HD22 LEU 48 -2.795 8.059 2.023 224 H ILE 49 HN ILE 49 -6.228 4.135 3.228 225 HA ILE 49 HA ILE 49 -4.884 2.078 1.611 226 HB ILE 49 HB ILE 49 -7.311 1.625 3.368 227 HG12 ILE 49 HG12 ILE 49 -4.499 0.542 3.661 228 HG13 ILE 49 HG13 ILE 49 -5.182 1.835 4.638 229 HG21 ILE 49 HG21 ILE 49 -5.743 -0.276 1.632 230 HG22 ILE 49 HG22 ILE 49 -7.056 -0.732 2.719 231 HG23 ILE 49 HG23 ILE 49 -7.380 0.305 1.330 232 HD11 ILE 49 HD13 ILE 49 -6.127 -1.024 4.554 233 HD12 ILE 49 HD11 ILE 49 -5.222 -0.246 5.852 234 HD13 ILE 49 HD12 ILE 49 -6.870 0.269 5.496 235 H LEU 50 HN LEU 50 -5.325 3.319 -0.277 236 HA LEU 50 HA LEU 50 -7.836 4.443 -0.803 237 HG LEU 50 HG LEU 50 -5.660 6.144 -1.308 238 HB2 LEU 50 HB2 LEU 50 -5.390 3.973 -2.392 239 HB3 LEU 50 HB3 LEU 50 -6.881 4.214 -3.284 240 HD11 LEU 50 HD11 LEU 50 -4.565 6.005 -3.519 241 HD12 LEU 50 HD12 LEU 50 -6.112 6.403 -4.269 242 HD13 LEU 50 HD13 LEU 50 -5.325 7.564 -3.202 243 HD21 LEU 50 HD23 LEU 50 -7.523 7.633 -1.961 244 HD22 LEU 50 HD21 LEU 50 -8.230 6.314 -2.895 245 HD23 LEU 50 HD22 LEU 50 -8.097 6.177 -1.143 246 H HIS 51 HN HIS 51 -6.454 1.372 -1.654 247 HA HIS 51 HA HIS 51 -9.050 0.258 -2.192 248 HD1 HIS 51 HD1 HIS 51 -10.488 -0.926 -4.526 249 HD2 HIS 51 HD2 HIS 51 -9.245 3.022 -4.965 250 HE1 HIS 51 HE1 HIS 51 -12.484 0.322 -5.407 251 HE2 HIS 51 HE2 HIS 51 -11.776 2.736 -5.369 252 HB2 HIS 51 HB2 HIS 51 -7.326 1.132 -4.403 253 HB3 HIS 51 HB3 HIS 51 -7.866 -0.540 -4.527 254 H HIS 52 HN HIS 52 -7.908 -0.689 -0.295 255 HA HIS 52 HA HIS 52 -7.151 -2.568 0.725 256 HD1 HIS 52 HD1 HIS 52 -5.236 -5.822 -1.242 257 HD2 HIS 52 HD2 HIS 52 -8.378 -4.970 1.358 258 HE1 HIS 52 HE1 HIS 52 -5.171 -7.612 0.540 259 HE2 HIS 52 HE2 HIS 52 -6.940 -6.915 2.213 260 HB2 HIS 52 HB2 HIS 52 -8.199 -3.729 -1.312 261 HB3 HIS 52 HB3 HIS 52 -6.555 -3.818 -1.948 262 H LYS 53 HN LYS 53 -5.216 -1.258 -1.901 263 HA LYS 53 HA LYS 53 -2.776 -2.147 -0.660 264 HB2 LYS 53 HB2 LYS 53 -3.398 -0.453 -3.050 265 HB3 LYS 53 HB3 LYS 53 -1.781 -0.443 -2.360 266 HG2 LYS 53 HG2 LYS 53 -1.479 -2.739 -2.753 267 HG3 LYS 53 HG3 LYS 53 -3.189 -2.980 -3.107 268 HD2 LYS 53 HD2 LYS 53 -1.387 -1.243 -4.780 269 HD3 LYS 53 HD3 LYS 53 -1.642 -2.962 -5.096 270 HE2 LYS 53 HE2 LYS 53 -4.123 -2.427 -5.124 271 HE3 LYS 53 HE3 LYS 53 -3.648 -0.731 -5.171 272 HZ1 LYS 53 HZ3 LYS 53 -2.852 -2.782 -7.163 273 HZ2 LYS 53 HZ1 LYS 53 -2.463 -1.134 -7.231 274 HZ3 LYS 53 HZ2 LYS 53 -4.076 -1.638 -7.388 275 H VAL 54 HN VAL 54 -1.592 -1.120 0.773 276 HA VAL 54 HA VAL 54 -2.611 1.303 1.984 277 HB VAL 54 HB VAL 54 -1.831 -0.397 3.474 278 HG11 VAL 54 HG11 VAL 54 0.836 -0.250 2.096 279 HG12 VAL 54 HG12 VAL 54 0.480 -1.180 3.551 280 HG13 VAL 54 HG13 VAL 54 -0.311 -1.588 2.027 281 HG21 VAL 54 HG23 VAL 54 -0.227 0.815 4.843 282 HG22 VAL 54 HG21 VAL 54 0.207 1.833 3.469 283 HG23 VAL 54 HG22 VAL 54 -1.411 1.931 4.163 284 H TYR 55 HN TYR 55 -1.740 3.315 1.837 285 HA TYR 55 HA TYR 55 0.628 3.596 0.101 286 HD1 TYR 55 HD1 TYR 55 -2.898 3.229 -0.237 287 HD2 TYR 55 HD2 TYR 55 -0.534 5.692 -2.778 288 HE1 TYR 55 HE1 TYR 55 -4.079 2.333 -2.200 289 HE2 TYR 55 HE2 TYR 55 -1.703 4.809 -4.743 290 HH TYR 55 HH TYR 55 -2.986 2.854 -5.394 291 HB2 TYR 55 HB2 TYR 55 -1.632 5.587 0.439 292 HB3 TYR 55 HB3 TYR 55 -0.203 5.830 -0.545 293 H ASP 56 HN ASP 56 1.349 6.154 0.522 294 HA ASP 56 HA ASP 56 1.206 6.866 3.322 295 HB2 ASP 56 HB2 ASP 56 3.129 5.872 3.914 296 HB3 ASP 56 HB3 ASP 56 3.435 5.373 2.259 297 H LEU 57 HN LEU 57 0.804 9.087 3.241 298 HA LEU 57 HA LEU 57 2.129 10.619 1.108 299 HG LEU 57 HG LEU 57 -1.512 11.917 1.705 300 HB2 LEU 57 HB2 LEU 57 0.201 11.565 3.240 301 HB3 LEU 57 HB3 LEU 57 0.962 12.608 2.080 302 HD11 LEU 57 HD11 LEU 57 -1.221 12.036 -0.683 303 HD12 LEU 57 HD12 LEU 57 -0.093 13.131 0.113 304 HD13 LEU 57 HD13 LEU 57 0.483 11.598 -0.539 305 HD21 LEU 57 HD23 LEU 57 -1.161 9.485 1.991 306 HD22 LEU 57 HD21 LEU 57 -1.838 9.882 0.411 307 HD23 LEU 57 HD22 LEU 57 -0.128 9.479 0.563 308 H THR 58 HN THR 58 1.653 10.897 4.586 309 HA THR 58 HA THR 58 2.815 11.749 6.297 310 HB THR 58 HB THR 58 5.307 10.796 4.918 311 HG1 THR 58 HG1 THR 58 4.131 8.950 4.903 312 HG21 THR 58 HG23 THR 58 4.549 10.943 7.840 313 HG22 THR 58 HG21 THR 58 5.594 12.089 7.001 314 HG23 THR 58 HG22 THR 58 6.097 10.408 7.184 315 H LYS 59 HN LYS 59 5.207 12.260 3.783 316 HA LYS 59 HA LYS 59 5.814 14.891 4.802 317 HB2 LYS 59 HB2 LYS 59 7.372 13.058 3.683 318 HB3 LYS 59 HB3 LYS 59 6.836 13.836 2.195 319 HG2 LYS 59 HG2 LYS 59 7.607 15.987 3.076 320 HG3 LYS 59 HG3 LYS 59 8.205 15.149 4.509 321 HD2 LYS 59 HD2 LYS 59 9.664 13.783 3.045 322 HD3 LYS 59 HD3 LYS 59 9.128 14.745 1.666 323 HE2 LYS 59 HE2 LYS 59 11.276 15.533 2.521 324 HE3 LYS 59 HE3 LYS 59 10.017 16.752 2.702 325 HZ1 LYS 59 HZ3 LYS 59 10.966 14.940 4.863 326 HZ2 LYS 59 HZ1 LYS 59 9.791 16.154 5.026 327 HZ3 LYS 59 HZ2 LYS 59 11.399 16.571 4.691 328 H PHE 60 HN PHE 60 3.971 13.377 2.322 329 HA PHE 60 HA PHE 60 4.094 15.433 0.392 330 HD1 PHE 60 HD1 PHE 60 4.877 14.276 -1.697 331 HD2 PHE 60 HD2 PHE 60 0.646 13.946 -1.431 332 HE1 PHE 60 HE1 PHE 60 4.688 14.873 -4.073 333 HE2 PHE 60 HE2 PHE 60 0.451 14.540 -3.818 334 HZ PHE 60 HZ PHE 60 2.484 14.992 -5.137 335 HB2 PHE 60 HB2 PHE 60 3.582 12.888 0.150 336 HB3 PHE 60 HB3 PHE 60 1.923 13.405 0.406 337 H LEU 61 HN LEU 61 2.382 15.156 3.201 338 HA LEU 61 HA LEU 61 -0.138 16.239 2.713 339 HG LEU 61 HG LEU 61 1.407 14.294 4.905 340 HB2 LEU 61 HB2 LEU 61 1.601 16.688 5.147 341 HB3 LEU 61 HB3 LEU 61 -0.139 16.890 5.074 342 HD11 LEU 61 HD11 LEU 61 1.077 15.262 7.134 343 HD12 LEU 61 HD12 LEU 61 -0.667 15.259 6.862 344 HD13 LEU 61 HD13 LEU 61 0.221 13.737 6.914 345 HD21 LEU 61 HD23 LEU 61 -0.443 14.295 3.294 346 HD22 LEU 61 HD21 LEU 61 -0.747 13.187 4.633 347 HD23 LEU 61 HD22 LEU 61 -1.560 14.753 4.578 348 H GLU 62 HN GLU 62 2.968 17.653 2.687 349 HA GLU 62 HA GLU 62 2.255 20.370 3.210 350 HB2 GLU 62 HB2 GLU 62 4.727 19.080 2.046 351 HB3 GLU 62 HB3 GLU 62 4.597 20.790 2.428 352 HG2 GLU 62 HG2 GLU 62 4.084 18.722 4.517 353 HG3 GLU 62 HG3 GLU 62 5.731 19.208 4.113 354 H GLU 63 HN GLU 63 2.281 18.368 0.379 355 HA GLU 63 HA GLU 63 2.479 20.749 -1.357 356 HB2 GLU 63 HB2 GLU 63 3.510 17.951 -1.838 357 HB3 GLU 63 HB3 GLU 63 3.576 19.258 -3.013 358 HG2 GLU 63 HG2 GLU 63 4.961 20.556 -1.477 359 HG3 GLU 63 HG3 GLU 63 4.922 19.219 -0.326 360 H HIS 64 HN HIS 64 0.717 17.918 -0.558 361 HA HIS 64 HA HIS 64 -0.662 17.639 -2.987 362 HD1 HIS 64 HD1 HIS 64 -3.848 16.697 -0.196 363 HD2 HIS 64 HD2 HIS 64 -2.231 14.687 -3.505 364 HE1 HIS 64 HE1 HIS 64 -5.770 15.436 -1.288 365 HB2 HIS 64 HB3 HIS 64 -0.489 15.780 -1.481 366 HB3 HIS 64 HB2 HIS 64 -1.281 16.653 -0.202 367 HA PRO 65 HA PRO 65 -3.004 21.317 -2.835 368 HB2 PRO 65 HB2 PRO 65 -5.101 19.866 -4.332 369 HB3 PRO 65 HB3 PRO 65 -4.203 21.318 -4.780 370 HG2 PRO 65 HG2 PRO 65 -3.710 18.961 -5.932 371 HG3 PRO 65 HG3 PRO 65 -2.402 20.107 -5.583 372 HD2 PRO 65 HD2 PRO 65 -3.182 17.614 -4.153 373 HD3 PRO 65 HD3 PRO 65 -1.567 18.285 -4.453 374 H GLY 66 HN GLY 66 -4.502 18.360 -1.795 375 HA2 GLY 66 HA1 GLY 66 -7.133 19.253 -1.443 376 HA3 GLY 66 HA2 GLY 66 -6.432 17.832 -0.691 377 H GLY 67 HN GLY 67 -4.381 19.638 0.642 378 HA2 GLY 67 HA1 GLY 67 -4.701 21.540 2.230 379 HA3 GLY 67 HA2 GLY 67 -6.181 20.727 2.721 380 H GLU 68 HN GLU 68 -4.832 21.133 4.830 381 HA GLU 68 HA GLU 68 -2.955 18.910 5.246 382 HB2 GLU 68 HB2 GLU 68 -2.177 21.158 5.950 383 HB3 GLU 68 HB3 GLU 68 -3.553 21.291 7.033 384 HG2 GLU 68 HG2 GLU 68 -2.593 19.097 8.069 385 HG3 GLU 68 HG3 GLU 68 -1.095 19.611 7.293 386 H GLU 69 HN GLU 69 -5.096 20.512 7.502 387 HA GLU 69 HA GLU 69 -5.421 18.106 8.969 388 HB2 GLU 69 HB2 GLU 69 -5.324 20.520 9.821 389 HB3 GLU 69 HB3 GLU 69 -7.018 20.622 9.357 390 HG2 GLU 69 HG2 GLU 69 -7.568 18.814 10.862 391 HG3 GLU 69 HG3 GLU 69 -5.866 18.606 11.265 392 H VAL 70 HN VAL 70 -7.330 19.875 6.666 393 HA VAL 70 HA VAL 70 -9.790 18.579 7.257 394 HB VAL 70 HB VAL 70 -10.630 19.621 5.184 395 HG11 VAL 70 HG11 VAL 70 -8.963 21.474 6.869 396 HG12 VAL 70 HG12 VAL 70 -10.339 21.936 5.866 397 HG13 VAL 70 HG13 VAL 70 -10.578 20.886 7.265 398 HG21 VAL 70 HG23 VAL 70 -7.761 20.487 4.827 399 HG22 VAL 70 HG21 VAL 70 -8.679 19.410 3.775 400 HG23 VAL 70 HG22 VAL 70 -9.124 21.113 3.897 401 H LEU 71 HN LEU 71 -7.051 17.748 5.397 402 HA LEU 71 HA LEU 71 -8.409 15.408 4.294 403 HG LEU 71 HG LEU 71 -6.605 17.679 2.721 404 HB2 LEU 71 HB2 LEU 71 -5.497 16.241 4.256 405 HB3 LEU 71 HB3 LEU 71 -6.111 14.796 3.473 406 HD11 LEU 71 HD11 LEU 71 -4.494 16.715 1.999 407 HD12 LEU 71 HD12 LEU 71 -5.340 15.340 1.291 408 HD13 LEU 71 HD13 LEU 71 -5.565 16.954 0.618 409 HD21 LEU 71 HD23 LEU 71 -7.885 15.199 1.557 410 HD22 LEU 71 HD21 LEU 71 -8.709 16.444 2.497 411 HD23 LEU 71 HD22 LEU 71 -8.026 16.836 0.919 412 H ARG 72 HN ARG 72 -5.596 16.147 6.277 413 HA ARG 72 HA ARG 72 -4.307 14.868 7.591 414 HE ARG 72 HE ARG 72 -6.072 12.222 11.296 415 HB2 ARG 72 HB2 ARG 72 -6.582 15.264 8.918 416 HB3 ARG 72 HB3 ARG 72 -6.664 13.512 8.795 417 HG2 ARG 72 HG2 ARG 72 -4.502 13.305 9.864 418 HG3 ARG 72 HG3 ARG 72 -4.324 15.059 9.887 419 HD2 ARG 72 HD2 ARG 72 -4.983 14.442 12.059 420 HD3 ARG 72 HD3 ARG 72 -6.413 15.133 11.298 421 HH11 ARG 72 HH12 ARG 72 -7.672 15.051 12.569 422 HH12 ARG 72 HH11 ARG 72 -9.068 14.181 13.118 423 HH21 ARG 72 HH22 ARG 72 -7.892 11.048 12.060 424 HH22 ARG 72 HH21 ARG 72 -9.214 11.902 12.796 425 H GLU 73 HN GLU 73 -5.248 14.005 5.024 426 HA GLU 73 HA GLU 73 -4.949 12.367 3.540 427 HB2 GLU 73 HB2 GLU 73 -2.834 12.088 4.828 428 HB3 GLU 73 HB3 GLU 73 -3.629 10.822 5.753 429 HG2 GLU 73 HG2 GLU 73 -4.059 9.640 3.593 430 HG3 GLU 73 HG3 GLU 73 -3.013 10.835 2.816 431 H GLN 74 HN GLN 74 -7.093 12.075 6.024 432 HA GLN 74 HA GLN 74 -8.745 10.582 6.640 433 HB2 GLN 74 HB2 GLN 74 -8.125 9.901 3.831 434 HB3 GLN 74 HB3 GLN 74 -8.923 8.634 4.748 435 HG2 GLN 74 HG2 GLN 74 -10.069 10.760 3.383 436 HG3 GLN 74 HG3 GLN 74 -10.878 9.604 4.443 437 HE21 GLN 74 HE21 GLN 74 -9.711 12.825 4.077 438 HE22 GLN 74 HE22 GLN 74 -10.344 13.460 5.552 439 H ALA 75 HN ALA 75 -5.946 10.305 7.191 440 HA ALA 75 HA ALA 75 -4.817 7.832 6.580 441 HB1 ALA 75 HB3 ALA 75 -4.046 9.602 8.884 442 HB2 ALA 75 HB1 ALA 75 -3.008 8.511 7.965 443 HB3 ALA 75 HB2 ALA 75 -3.651 9.969 7.205 444 H GLY 76 HN GLY 76 -4.662 5.948 7.547 445 HA2 GLY 76 HA1 GLY 76 -4.628 4.793 9.784 446 HA3 GLY 76 HA2 GLY 76 -6.217 5.503 10.027 447 H GLY 77 HN GLY 77 -7.227 5.144 7.387 448 HA2 GLY 77 HA1 GLY 77 -6.960 2.296 6.793 449 HA3 GLY 77 HA2 GLY 77 -8.543 2.818 7.367 450 H ASP 78 HN ASP 78 -9.786 2.649 5.547 451 HA ASP 78 HA ASP 78 -8.614 3.242 3.006 452 HB2 ASP 78 HB2 ASP 78 -10.629 2.510 2.001 453 HB3 ASP 78 HB3 ASP 78 -10.361 1.447 3.378 454 H ALA 79 HN ALA 79 -9.343 4.828 1.513 455 HA ALA 79 HA ALA 79 -10.807 7.044 2.755 456 HB1 ALA 79 HB3 ALA 79 -8.458 7.364 0.896 457 HB2 ALA 79 HB1 ALA 79 -9.378 8.650 1.679 458 HB3 ALA 79 HB2 ALA 79 -8.401 7.551 2.650 459 H THR 80 HN THR 80 -11.052 4.725 0.591 460 HA THR 80 HA THR 80 -11.289 5.949 -1.937 461 HB THR 80 HB THR 80 -10.818 3.595 -1.722 462 HG1 THR 80 HG1 THR 80 -13.292 4.143 -3.059 463 HG21 THR 80 HG23 THR 80 -13.634 3.327 -0.650 464 HG22 THR 80 HG21 THR 80 -12.140 3.042 0.246 465 HG23 THR 80 HG22 THR 80 -12.583 1.982 -1.092 466 H GLU 81 HN GLU 81 -13.510 5.962 0.663 467 HA GLU 81 HA GLU 81 -16.001 5.944 -0.533 468 HB2 GLU 81 HB2 GLU 81 -15.758 6.165 1.857 469 HB3 GLU 81 HB3 GLU 81 -14.955 7.720 1.676 470 HG2 GLU 81 HG2 GLU 81 -16.990 8.720 0.842 471 HG3 GLU 81 HG3 GLU 81 -17.809 7.160 0.888 472 H ASN 82 HN ASN 82 -13.914 8.748 -0.035 473 HA ASN 82 HA ASN 82 -15.512 10.647 -1.351 474 HB2 ASN 82 HB2 ASN 82 -13.735 11.214 0.260 475 HB3 ASN 82 HB3 ASN 82 -12.513 10.641 -0.870 476 HD21 ASN 82 HD21 ASN 82 -12.043 11.850 -2.688 477 HD22 ASN 82 HD22 ASN 82 -12.547 13.492 -2.864 478 H PHE 83 HN PHE 83 -13.140 8.394 -2.419 479 HA PHE 83 HA PHE 83 -12.268 9.675 -4.781 480 HD1 PHE 83 HD1 PHE 83 -9.826 9.235 -5.559 481 HD2 PHE 83 HD2 PHE 83 -11.749 5.442 -5.815 482 HE1 PHE 83 HE1 PHE 83 -8.554 8.723 -7.595 483 HE2 PHE 83 HE2 PHE 83 -10.478 4.930 -7.863 484 HZ PHE 83 HZ PHE 83 -8.872 6.578 -8.749 485 HB2 PHE 83 HB2 PHE 83 -10.931 8.016 -3.536 486 HB3 PHE 83 HB3 PHE 83 -12.103 6.771 -3.945 487 H GLU 84 HN GLU 84 -14.851 7.526 -4.015 488 HA GLU 84 HA GLU 84 -15.382 6.685 -6.703 489 HB2 GLU 84 HB2 GLU 84 -17.024 6.488 -4.168 490 HB3 GLU 84 HB3 GLU 84 -17.419 5.685 -5.676 491 HG2 GLU 84 HG2 GLU 84 -15.281 4.444 -5.516 492 HG3 GLU 84 HG3 GLU 84 -15.015 5.184 -3.938 493 H ASP 85 HN ASP 85 -16.254 9.301 -4.674 494 HA ASP 85 HA ASP 85 -18.758 9.874 -6.054 495 HB2 ASP 85 HB2 ASP 85 -18.698 9.874 -3.578 496 HB3 ASP 85 HB3 ASP 85 -17.551 11.207 -3.617 497 H VAL 86 HN VAL 86 -15.799 11.628 -5.105 498 HA VAL 86 HA VAL 86 -15.811 13.095 -7.596 499 HB VAL 86 HB VAL 86 -15.569 15.310 -6.205 500 HG11 VAL 86 HG11 VAL 86 -18.244 14.036 -6.792 501 HG12 VAL 86 HG12 VAL 86 -17.998 15.752 -6.463 502 HG13 VAL 86 HG13 VAL 86 -17.276 15.015 -7.894 503 HG21 VAL 86 HG23 VAL 86 -15.725 14.238 -4.003 504 HG22 VAL 86 HG21 VAL 86 -17.016 15.414 -4.250 505 HG23 VAL 86 HG22 VAL 86 -17.357 13.691 -4.392 506 H GLY 87 HN GLY 87 -13.684 13.149 -8.214 507 HA2 GLY 87 HA1 GLY 87 -11.746 14.625 -7.215 508 HA3 GLY 87 HA2 GLY 87 -11.652 13.273 -6.108 509 H HIS 88 HN HIS 88 -9.830 14.463 -8.117 510 HA HIS 88 HA HIS 88 -7.936 13.657 -9.026 511 HD1 HIS 88 HD1 HIS 88 -7.945 9.695 -6.542 512 HD2 HIS 88 HD2 HIS 88 -6.879 13.687 -7.119 513 HE1 HIS 88 HE1 HIS 88 -6.685 10.424 -4.448 514 HB2 HIS 88 HB2 HIS 88 -9.196 10.967 -8.556 515 HB3 HIS 88 HB3 HIS 88 -7.632 11.158 -9.341 516 H SER 89 HN SER 89 -7.536 14.183 -11.025 517 HA SER 89 HA SER 89 -9.115 13.004 -13.186 518 HG SER 89 HG SER 89 -6.278 15.753 -13.645 519 HB2 SER 89 HB2 SER 89 -7.774 14.648 -14.604 520 HB3 SER 89 HB3 SER 89 -8.901 15.358 -13.448 521 H THR 90 HN THR 90 -7.364 12.796 -15.262 522 HA THR 90 HA THR 90 -6.173 10.316 -14.767 523 HB THR 90 HB THR 90 -4.807 11.220 -16.965 524 HG1 THR 90 HG1 THR 90 -5.714 13.194 -17.203 525 HG21 THR 90 HG23 THR 90 -6.502 10.073 -18.258 526 HG22 THR 90 HG21 THR 90 -7.647 10.201 -16.923 527 HG23 THR 90 HG22 THR 90 -6.209 9.193 -16.757 528 H ASP 91 HN ASP 91 -4.846 13.526 -14.353 529 HA ASP 91 HA ASP 91 -2.110 13.016 -14.435 530 HB2 ASP 91 HB2 ASP 91 -3.493 14.869 -12.487 531 HB3 ASP 91 HB3 ASP 91 -1.838 14.994 -13.080 532 H ALA 92 HN ALA 92 -4.376 12.811 -11.752 533 HA ALA 92 HA ALA 92 -2.403 12.341 -9.765 534 HB1 ALA 92 HB3 ALA 92 -4.512 13.519 -9.343 535 HB2 ALA 92 HB1 ALA 92 -5.386 12.006 -9.596 536 HB3 ALA 92 HB2 ALA 92 -4.263 12.162 -8.245 537 H ARG 93 HN ARG 93 -4.400 10.240 -11.707 538 HA ARG 93 HA ARG 93 -4.352 7.929 -10.068 539 HE ARG 93 HE ARG 93 -3.871 8.162 -16.040 540 HB2 ARG 93 HB2 ARG 93 -5.145 6.748 -11.980 541 HB3 ARG 93 HB3 ARG 93 -5.845 8.360 -12.072 542 HG2 ARG 93 HG2 ARG 93 -4.206 9.028 -13.712 543 HG3 ARG 93 HG3 ARG 93 -3.380 7.482 -13.559 544 HD2 ARG 93 HD2 ARG 93 -5.397 6.351 -14.415 545 HD3 ARG 93 HD3 ARG 93 -6.173 7.919 -14.612 546 HH11 ARG 93 HH12 ARG 93 -6.472 5.781 -16.076 547 HH12 ARG 93 HH11 ARG 93 -6.301 5.441 -17.774 548 HH21 ARG 93 HH22 ARG 93 -3.630 7.709 -18.231 549 HH22 ARG 93 HH21 ARG 93 -4.681 6.559 -19.018 550 H GLU 94 HN GLU 94 -1.920 9.485 -11.793 551 HA GLU 94 HA GLU 94 -0.424 7.005 -12.341 552 HB2 GLU 94 HB2 GLU 94 -1.342 8.453 -14.268 553 HB3 GLU 94 HB3 GLU 94 -0.110 9.621 -13.810 554 HG2 GLU 94 HG2 GLU 94 1.629 8.082 -14.294 555 HG3 GLU 94 HG3 GLU 94 0.476 6.766 -14.515 556 H MET 95 HN MET 95 -0.603 9.835 -10.643 557 HA MET 95 HA MET 95 2.247 10.259 -10.262 558 HB2 MET 95 HB2 MET 95 0.591 12.141 -10.565 559 HB3 MET 95 HB3 MET 95 -0.135 11.671 -9.037 560 HG2 MET 95 HG2 MET 95 1.289 13.563 -8.690 561 HG3 MET 95 HG3 MET 95 1.999 12.160 -7.897 562 HE1 MET 95 HE3 MET 95 4.299 13.510 -7.687 563 HE2 MET 95 HE1 MET 95 5.129 14.244 -9.059 564 HE3 MET 95 HE2 MET 95 3.584 14.894 -8.513 565 H SER 96 HN SER 96 -0.470 8.726 -8.832 566 HA SER 96 HA SER 96 0.545 8.794 -6.153 567 HG SER 96 HG SER 96 -1.244 9.864 -5.858 568 HB2 SER 96 HB2 SER 96 -1.937 7.683 -7.388 569 HB3 SER 96 HB3 SER 96 -1.512 7.325 -5.706 570 H LYS 97 HN LYS 97 1.367 7.000 -8.682 571 HA LYS 97 HA LYS 97 0.979 4.311 -7.981 572 HB2 LYS 97 HB2 LYS 97 2.964 5.577 -9.881 573 HB3 LYS 97 HB3 LYS 97 2.681 3.847 -9.756 574 HG2 LYS 97 HG2 LYS 97 0.328 4.215 -10.399 575 HG3 LYS 97 HG3 LYS 97 0.680 5.934 -10.585 576 HD2 LYS 97 HD2 LYS 97 0.850 5.086 -12.753 577 HD3 LYS 97 HD3 LYS 97 2.515 5.211 -12.199 578 HE2 LYS 97 HE2 LYS 97 0.881 2.678 -12.172 579 HE3 LYS 97 HE3 LYS 97 2.009 3.132 -13.444 580 HZ1 LYS 97 HZ3 LYS 97 3.166 1.664 -12.028 581 HZ2 LYS 97 HZ1 LYS 97 2.641 2.452 -10.624 582 HZ3 LYS 97 HZ2 LYS 97 3.761 3.205 -11.647 583 H THR 98 HN THR 98 3.779 6.438 -7.485 584 HA THR 98 HA THR 98 5.297 4.262 -6.333 585 HB THR 98 HB THR 98 6.941 6.260 -5.897 586 HG1 THR 98 HG1 THR 98 6.473 7.847 -7.670 587 HG21 THR 98 HG23 THR 98 7.988 5.761 -7.894 588 HG22 THR 98 HG21 THR 98 6.472 5.713 -8.795 589 HG23 THR 98 HG22 THR 98 6.905 4.379 -7.729 590 H PHE 99 HN PHE 99 2.863 5.926 -5.148 591 HA PHE 99 HA PHE 99 3.962 6.278 -2.463 592 HD1 PHE 99 HD2 PHE 99 3.279 8.733 -1.133 593 HD2 PHE 99 HD1 PHE 99 2.209 8.597 -5.251 594 HE1 PHE 99 HE2 PHE 99 4.282 10.948 -1.465 595 HE2 PHE 99 HE1 PHE 99 3.206 10.825 -5.581 596 HZ PHE 99 HZ PHE 99 4.238 12.001 -3.686 597 HB2 PHE 99 HB2 PHE 99 1.308 7.008 -3.713 598 HB3 PHE 99 HB3 PHE 99 1.613 7.140 -1.982 599 H ILE 100 HN ILE 100 2.524 3.967 -4.390 600 HA ILE 100 HA ILE 100 0.911 2.636 -2.441 601 HB ILE 100 HB ILE 100 2.074 1.576 -5.034 602 HG12 ILE 100 HG12 ILE 100 -0.650 2.730 -4.424 603 HG13 ILE 100 HG13 ILE 100 0.610 3.504 -5.370 604 HG21 ILE 100 HG21 ILE 100 1.486 -0.234 -3.557 605 HG22 ILE 100 HG22 ILE 100 -0.108 0.465 -3.275 606 HG23 ILE 100 HG23 ILE 100 0.324 -0.136 -4.878 607 HD11 ILE 100 HD13 ILE 100 -0.788 0.948 -6.086 608 HD12 ILE 100 HD11 ILE 100 -1.119 2.535 -6.781 609 HD13 ILE 100 HD12 ILE 100 0.443 1.759 -7.052 610 H ILE 101 HN ILE 101 1.942 1.714 -0.654 611 HA ILE 101 HA ILE 101 4.718 0.868 -1.042 612 HB ILE 101 HB ILE 101 4.930 0.783 1.375 613 HG12 ILE 101 HG12 ILE 101 2.033 1.650 1.438 614 HG13 ILE 101 HG13 ILE 101 2.635 0.062 1.896 615 HG21 ILE 101 HG21 ILE 101 4.659 3.173 1.850 616 HG22 ILE 101 HG22 ILE 101 5.368 2.892 0.259 617 HG23 ILE 101 HG23 ILE 101 3.669 3.341 0.399 618 HD11 ILE 101 HD13 ILE 101 3.929 1.111 3.709 619 HD12 ILE 101 HD11 ILE 101 3.234 2.669 3.266 620 HD13 ILE 101 HD12 ILE 101 2.191 1.378 3.859 621 H GLY 102 HN GLY 102 1.577 -0.536 -0.444 622 HA2 GLY 102 HA1 GLY 102 2.329 -3.058 -1.290 623 HA3 GLY 102 HA2 GLY 102 2.549 -3.061 0.454 624 H GLU 103 HN GLU 103 0.885 -4.775 0.347 625 HA GLU 103 HA GLU 103 -1.830 -3.613 0.268 626 HB2 GLU 103 HB2 GLU 103 -0.890 -6.412 -0.322 627 HB3 GLU 103 HB3 GLU 103 -2.565 -6.069 0.076 628 HG2 GLU 103 HG2 GLU 103 -2.077 -4.261 -1.892 629 HG3 GLU 103 HG3 GLU 103 -1.082 -5.632 -2.394 630 H LEU 104 HN LEU 104 -3.244 -5.480 1.625 631 HA LEU 104 HA LEU 104 -2.156 -5.339 4.334 632 HG LEU 104 HG LEU 104 -5.595 -4.205 4.965 633 HB2 LEU 104 HB2 LEU 104 -4.880 -5.746 3.200 634 HB3 LEU 104 HB3 LEU 104 -4.534 -6.370 4.785 635 HD11 LEU 104 HD11 LEU 104 -3.964 -4.842 6.654 636 HD12 LEU 104 HD12 LEU 104 -2.685 -4.075 5.712 637 HD13 LEU 104 HD13 LEU 104 -3.983 -3.097 6.399 638 HD21 LEU 104 HD23 LEU 104 -3.256 -3.195 3.359 639 HD22 LEU 104 HD21 LEU 104 -4.948 -3.223 2.862 640 HD23 LEU 104 HD22 LEU 104 -4.433 -2.172 4.182 641 H HIS 105 HN HIS 105 -1.995 -7.100 5.674 642 HA HIS 105 HA HIS 105 -0.928 -9.446 4.978 643 HD1 HIS 105 HD1 HIS 105 -4.159 -10.661 8.083 644 HD2 HIS 105 HD2 HIS 105 -3.152 -6.713 7.259 645 HE1 HIS 105 HE1 HIS 105 -6.103 -9.273 8.923 646 HE2 HIS 105 HE2 HIS 105 -5.567 -6.916 8.193 647 HB2 HIS 105 HB2 HIS 105 -1.915 -10.434 7.055 648 HB3 HIS 105 HB3 HIS 105 -1.150 -8.868 7.285 649 HA PRO 106 HA PRO 106 -3.234 -12.288 2.634 650 HB2 PRO 106 HB2 PRO 106 -2.927 -14.162 4.948 651 HB3 PRO 106 HB3 PRO 106 -2.606 -14.442 3.231 652 HG2 PRO 106 HG2 PRO 106 -0.599 -13.996 4.890 653 HG3 PRO 106 HG3 PRO 106 -0.608 -13.250 3.281 654 HD2 PRO 106 HD2 PRO 106 -1.140 -12.011 5.945 655 HD3 PRO 106 HD3 PRO 106 -0.374 -11.314 4.504 656 H ASP 107 HN ASP 107 -4.274 -11.748 5.911 657 HA ASP 107 HA ASP 107 -6.582 -13.497 5.742 658 HB2 ASP 107 HB2 ASP 107 -6.162 -11.571 7.997 659 HB3 ASP 107 HB3 ASP 107 -6.750 -13.230 8.042 660 H ASP 108 HN ASP 108 -5.698 -10.270 5.209 661 HA ASP 108 HA ASP 108 -8.341 -9.116 5.649 662 HB2 ASP 108 HB2 ASP 108 -6.410 -7.888 6.456 663 HB3 ASP 108 HB3 ASP 108 -5.700 -7.884 4.843 664 H ARG 109 HN ARG 109 -6.435 -10.456 3.278 665 HA ARG 109 HA ARG 109 -6.841 -8.724 1.073 666 HE ARG 109 HE ARG 109 -3.331 -9.936 -2.436 667 HB2 ARG 109 HB2 ARG 109 -4.862 -10.292 1.553 668 HB3 ARG 109 HB3 ARG 109 -5.866 -11.555 0.850 669 HG2 ARG 109 HG2 ARG 109 -6.108 -9.784 -1.095 670 HG3 ARG 109 HG3 ARG 109 -4.565 -9.227 -0.443 671 HD2 ARG 109 HD2 ARG 109 -3.773 -11.614 -0.584 672 HD3 ARG 109 HD3 ARG 109 -5.243 -11.968 -1.488 673 HH11 ARG 109 HH12 ARG 109 -5.198 -12.854 -2.919 674 HH12 ARG 109 HH11 ARG 109 -4.712 -13.058 -4.579 675 HH21 ARG 109 HH22 ARG 109 -2.646 -10.235 -4.618 676 HH22 ARG 109 HH21 ARG 109 -3.270 -11.573 -5.526 677 HA PRO 110 HA PRO 110 -10.126 -11.653 -0.528 678 HB2 PRO 110 HB2 PRO 110 -10.118 -14.288 0.563 679 HB3 PRO 110 HB3 PRO 110 -9.593 -13.797 -1.050 680 HG2 PRO 110 HG2 PRO 110 -7.921 -14.802 0.905 681 HG3 PRO 110 HG3 PRO 110 -7.389 -13.800 -0.458 682 HD2 PRO 110 HD2 PRO 110 -7.991 -12.985 2.372 683 HD3 PRO 110 HD3 PRO 110 -6.640 -12.490 1.322 684 H LYS 111 HN LYS 111 -9.448 -11.537 2.750 685 HA LYS 111 HA LYS 111 -10.674 -11.100 4.579 686 HB2 LYS 111 HB2 LYS 111 -13.009 -11.027 2.669 687 HB3 LYS 111 HB3 LYS 111 -13.081 -10.534 4.357 688 HG2 LYS 111 HG2 LYS 111 -11.309 -8.839 3.841 689 HG3 LYS 111 HG3 LYS 111 -11.494 -9.260 2.138 690 HD2 LYS 111 HD2 LYS 111 -13.849 -8.598 2.223 691 HD3 LYS 111 HD3 LYS 111 -13.680 -8.196 3.935 692 HE2 LYS 111 HE2 LYS 111 -11.990 -6.513 3.364 693 HE3 LYS 111 HE3 LYS 111 -12.182 -6.905 1.657 694 HZ1 LYS 111 HZ3 LYS 111 -14.396 -5.913 3.374 695 HZ2 LYS 111 HZ1 LYS 111 -14.399 -6.090 1.689 696 HZ3 LYS 111 HZ2 LYS 111 -13.428 -4.906 2.408 697 H LEU 112 HN LEU 112 -12.697 -13.262 2.605 698 HA LEU 112 HA LEU 112 -13.878 -14.426 4.925 699 HG LEU 112 HG LEU 112 -14.923 -17.020 3.449 700 HB2 LEU 112 HB2 LEU 112 -15.119 -14.066 2.850 701 HB3 LEU 112 HB3 LEU 112 -14.080 -15.208 2.021 702 HD11 LEU 112 HD11 LEU 112 -15.433 -15.751 5.447 703 HD12 LEU 112 HD12 LEU 112 -16.708 -14.876 4.598 704 HD13 LEU 112 HD13 LEU 112 -16.871 -16.608 4.895 705 HD21 LEU 112 HD23 LEU 112 -17.140 -15.436 2.155 706 HD22 LEU 112 HD21 LEU 112 -16.031 -16.518 1.309 707 HD23 LEU 112 HD22 LEU 112 -17.150 -17.162 2.511 708 H ASN 113 HN ASN 113 -11.443 -15.522 2.614 709 HA ASN 113 HA ASN 113 -10.827 -17.752 4.381 710 HB2 ASN 113 HB2 ASN 113 -12.379 -18.701 2.704 711 HB3 ASN 113 HB3 ASN 113 -11.321 -18.148 1.414 712 HD21 ASN 113 HD21 ASN 113 -11.142 -20.258 0.673 713 HD22 ASN 113 HD22 ASN 113 -10.148 -21.432 1.469 714 H LYS 114 HN LYS 114 -8.695 -18.688 3.942 715 HA LYS 114 HA LYS 114 -6.925 -16.744 2.633 716 HB2 LYS 114 HB2 LYS 114 -6.803 -16.341 5.008 717 HB3 LYS 114 HB3 LYS 114 -6.551 -18.049 5.330 718 HG2 LYS 114 HG2 LYS 114 -4.365 -17.983 4.347 719 HG3 LYS 114 HG3 LYS 114 -4.626 -16.336 3.769 720 HD2 LYS 114 HD2 LYS 114 -3.222 -16.454 5.813 721 HD3 LYS 114 HD3 LYS 114 -4.690 -15.497 6.016 722 HE2 LYS 114 HE2 LYS 114 -5.781 -17.379 7.124 723 HE3 LYS 114 HE3 LYS 114 -4.333 -18.363 6.899 724 HZ1 LYS 114 HZ3 LYS 114 -4.296 -15.800 8.381 725 HZ2 LYS 114 HZ1 LYS 114 -3.128 -17.031 8.388 726 HZ3 LYS 114 HZ2 LYS 114 -4.629 -17.279 9.142 727 HA PRO 115 HA PRO 115 -5.214 -20.619 1.085 728 HB2 PRO 115 HB2 PRO 115 -5.065 -19.759 -1.505 729 HB3 PRO 115 HB3 PRO 115 -6.512 -20.486 -0.807 730 HG2 PRO 115 HG2 PRO 115 -6.090 -17.750 -1.649 731 HG3 PRO 115 HG3 PRO 115 -7.588 -18.538 -1.139 732 HD2 PRO 115 HD2 PRO 115 -5.772 -16.816 0.400 733 HD3 PRO 115 HD3 PRO 115 -7.454 -17.275 0.744 734 HA PRO 116 HA PRO 116 -1.496 -17.995 1.660 735 HB2 PRO 116 HB2 PRO 116 -0.276 -20.413 2.773 736 HB3 PRO 116 HB3 PRO 116 -0.550 -18.842 3.524 737 HG2 PRO 116 HG2 PRO 116 -1.951 -21.029 4.246 738 HG3 PRO 116 HG3 PRO 116 -2.654 -19.400 4.264 739 HD2 PRO 116 HD2 PRO 116 -2.961 -21.567 2.209 740 HD3 PRO 116 HD3 PRO 116 -4.195 -20.483 2.890 741 H GLU 117 HN GLU 117 -1.663 -21.220 0.283 742 HA GLU 117 HA GLU 117 -0.594 -22.231 -1.427 743 HB2 GLU 117 HB2 GLU 117 -1.307 -20.230 -2.685 744 HB3 GLU 117 HB3 GLU 117 0.178 -19.414 -2.225 745 HG2 GLU 117 HG2 GLU 117 0.282 -20.245 -4.510 746 HG3 GLU 117 HG3 GLU 117 1.486 -21.019 -3.484 747 H THR 118 HN THR 118 1.784 -19.652 -1.357 748 HA THR 118 HA THR 118 3.586 -20.934 0.459 749 HB THR 118 HB THR 118 4.400 -20.850 -2.469 750 HG1 THR 118 HG1 THR 118 3.051 -22.710 -1.164 751 HG21 THR 118 HG23 THR 118 5.885 -21.806 -0.014 752 HG22 THR 118 HG21 THR 118 6.256 -20.373 -0.973 753 HG23 THR 118 HG22 THR 118 6.446 -21.976 -1.680 754 H LEU 119 HN LEU 119 4.470 -19.204 1.455 755 HA LEU 119 HA LEU 119 4.205 -16.603 0.267 756 HG LEU 119 HG LEU 119 3.122 -17.901 2.916 757 HB2 LEU 119 HB2 LEU 119 5.519 -17.416 2.860 758 HB3 LEU 119 HB3 LEU 119 5.181 -15.768 2.363 759 HD11 LEU 119 HD11 LEU 119 3.905 -15.440 4.469 760 HD12 LEU 119 HD12 LEU 119 2.532 -16.488 4.830 761 HD13 LEU 119 HD13 LEU 119 4.176 -17.118 4.943 762 HD21 LEU 119 HD23 LEU 119 1.468 -16.176 2.601 763 HD22 LEU 119 HD21 LEU 119 2.723 -14.985 2.265 764 HD23 LEU 119 HD22 LEU 119 2.448 -16.318 1.143 765 H ILE 120 HN ILE 120 6.137 -15.042 0.532 766 HA ILE 120 HA ILE 120 8.186 -15.984 -1.211 767 HB ILE 120 HB ILE 120 7.299 -13.583 -1.039 768 HG12 ILE 120 HG12 ILE 120 9.498 -12.598 -1.641 769 HG13 ILE 120 HG13 ILE 120 10.285 -14.065 -1.068 770 HG21 ILE 120 HG21 ILE 120 9.293 -13.451 1.222 771 HG22 ILE 120 HG22 ILE 120 8.458 -12.075 0.505 772 HG23 ILE 120 HG23 ILE 120 7.544 -13.304 1.385 773 HD11 ILE 120 HD13 ILE 120 10.047 -14.017 -3.509 774 HD12 ILE 120 HD11 ILE 120 9.162 -15.362 -2.787 775 HD13 ILE 120 HD12 ILE 120 8.297 -13.923 -3.324 776 H THR 121 HN THR 121 10.256 -16.660 -0.752 777 HA THR 121 HA THR 121 11.034 -16.698 2.082 778 HB THR 121 HB THR 121 10.082 -18.908 1.429 779 HG1 THR 121 HG1 THR 121 12.463 -18.449 2.586 780 HG21 THR 121 HG23 THR 121 11.304 -20.367 -0.095 781 HG22 THR 121 HG21 THR 121 12.452 -19.072 -0.441 782 HG23 THR 121 HG22 THR 121 10.766 -18.911 -0.932 783 H THR 122 HN THR 122 11.756 -15.541 -0.808 784 HA THR 122 HA THR 122 14.665 -15.851 -0.504 785 HB THR 122 HB THR 122 14.002 -17.104 -2.480 786 HG1 THR 122 HG1 THR 122 15.569 -16.268 -3.653 787 HG21 THR 122 HG23 THR 122 12.720 -14.548 -3.461 788 HG22 THR 122 HG21 THR 122 11.865 -15.991 -2.920 789 HG23 THR 122 HG22 THR 122 12.864 -16.055 -4.371 790 H ILE 123 HN ILE 123 15.895 -13.989 -0.879 791 HA ILE 123 HA ILE 123 14.342 -11.518 -1.221 792 HB ILE 123 HB ILE 123 16.658 -11.859 0.703 793 HG12 ILE 123 HG12 ILE 123 14.736 -11.021 2.308 794 HG13 ILE 123 HG13 ILE 123 13.690 -11.729 1.084 795 HG21 ILE 123 HG21 ILE 123 15.006 -9.430 0.025 796 HG22 ILE 123 HG22 ILE 123 16.182 -9.527 1.337 797 HG23 ILE 123 HG23 ILE 123 16.712 -9.690 -0.336 798 HD11 ILE 123 HD13 ILE 123 14.077 -13.298 2.863 799 HD12 ILE 123 HD11 ILE 123 14.850 -13.880 1.388 800 HD13 ILE 123 HD12 ILE 123 15.821 -13.144 2.664 801 H ASP 124 HN ASP 124 15.128 -10.152 -2.708 802 HA ASP 124 HA ASP 124 17.230 -10.890 -4.435 803 HB2 ASP 124 HB2 ASP 124 16.956 -8.580 -5.371 804 HB3 ASP 124 HB3 ASP 124 15.445 -9.475 -5.255 805 H SER 125 HN SER 125 16.992 -8.294 -2.057 806 HA SER 125 HA SER 125 19.611 -8.420 -1.047 807 HG SER 125 HG SER 125 20.202 -8.537 -3.530 808 HB2 SER 125 HB2 SER 125 19.103 -6.338 -3.198 809 HB3 SER 125 HB3 SER 125 20.384 -6.184 -1.999 810 H SER 126 HN SER 126 16.824 -6.472 -1.911 811 HA SER 126 HA SER 126 16.579 -5.654 0.882 812 HG SER 126 HG SER 126 17.141 -4.378 -2.287 813 HB2 SER 126 HB2 SER 126 16.019 -3.301 0.081 814 HB3 SER 126 HB3 SER 126 17.715 -3.765 -0.003 815 H SER 127 HN SER 127 14.941 -4.708 -2.135 816 HA SER 127 HA SER 127 12.672 -6.397 -1.638 817 HG SER 127 HG SER 127 12.775 -5.284 0.416 818 HB2 SER 127 HB2 SER 127 12.334 -3.389 -1.403 819 HB3 SER 127 HB3 SER 127 11.015 -4.559 -1.472 820 H SER 128 HN SER 128 11.078 -6.231 -3.366 821 HA SER 128 HA SER 128 12.090 -4.911 -5.786 822 HG SER 128 HG SER 128 13.109 -7.304 -4.905 823 HB2 SER 128 HB2 SER 128 10.820 -7.659 -5.696 824 HB3 SER 128 HB3 SER 128 11.438 -6.832 -7.127 825 HHA HEM 129 HHA HEM 129 -5.820 17.236 -6.576 826 HHB HEM 129 HHB HEM 129 -1.838 12.155 -6.480 827 HHC HEM 129 HHC HEM 129 -4.673 10.010 -1.219 828 HHD HEM 129 HHD HEM 129 -9.203 14.575 -1.779 829 HAB HEM 129 HAB HEM 129 -2.338 9.270 -1.048 830 HAC HEM 129 HAC HEM 129 -10.030 12.877 -0.238 831 HMA1 HEM 129 HMA1 HEM 129 -1.277 15.437 -8.647 832 HMA2 HEM 129 HMA2 HEM 129 -0.559 14.561 -7.292 833 HMA3 HEM 129 HMA3 HEM 129 -1.420 13.685 -8.569 834 HAA1 HEM 129 HAA1 HEM 129 -2.928 17.496 -8.364 835 HAA2 HEM 129 HAA2 HEM 129 -3.225 16.200 -9.048 836 HBA1 HEM 129 HBA1 HEM 129 -5.106 17.934 -9.553 837 HBA2 HEM 129 HBA2 HEM 129 -5.816 16.437 -8.919 838 HMB1 HEM 129 HMB1 HEM 129 0.315 11.540 -3.733 839 HMB2 HEM 129 HMB2 HEM 129 -0.120 10.133 -4.906 840 HMB3 HEM 129 HMB3 HEM 129 -0.292 10.219 -3.393 841 HBB1 HEM 129 HBB1 HEM 129 -1.442 8.144 -3.734 842 HBB2 HEM 129 HBB2 HEM 129 -1.531 7.267 -2.081 843 HMC1 HEM 129 HMC1 HEM 129 -6.568 10.297 1.165 844 HMC2 HEM 129 HMC2 HEM 129 -8.032 9.764 0.327 845 HMC3 HEM 129 HMC3 HEM 129 -6.397 9.319 -0.276 846 HBC1 HEM 129 HBC1 HEM 129 -10.006 12.478 2.087 847 HBC2 HEM 129 HBC2 HEM 129 -8.219 11.995 2.059 848 HMD1 HEM 129 HMD1 HEM 129 -10.236 16.337 -2.213 849 HMD2 HEM 129 HMD2 HEM 129 -10.307 17.771 -3.420 850 HMD3 HEM 129 HMD3 HEM 129 -9.235 17.468 -2.396 851 HAD1 HEM 129 HAD1 HEM 129 -7.697 19.161 -5.084 852 HAD2 HEM 129 HAD2 HEM 129 -7.258 18.095 -6.058 853 HBD1 HEM 129 HBD1 HEM 129 -9.365 19.314 -6.872 854 HBD2 HEM 129 HBD2 HEM 129 -9.809 17.609 -6.678 Start of MODEL 18 1 HA MET 21 HA MET 21 4.386 -17.067 8.681 2 H1 MET 21 1H MET 21 4.990 -14.427 7.817 3 HB2 MET 21 HB2 MET 21 3.577 -16.018 6.561 4 HB3 MET 21 HB3 MET 21 5.196 -16.227 5.906 5 HG2 MET 21 HG2 MET 21 4.991 -18.663 6.294 6 HG3 MET 21 HG3 MET 21 3.328 -18.396 6.821 7 HE1 MET 21 HE3 MET 21 1.418 -17.482 5.297 8 HE2 MET 21 HE1 MET 21 2.416 -16.071 4.954 9 HE3 MET 21 HE2 MET 21 1.654 -16.954 3.632 10 H ALA 22 HN ALA 22 6.939 -16.420 6.296 11 HA ALA 22 HA ALA 22 8.872 -17.946 7.829 12 HB1 ALA 22 HB3 ALA 22 7.896 -18.970 5.165 13 HB2 ALA 22 HB1 ALA 22 9.196 -19.658 6.134 14 HB3 ALA 22 HB2 ALA 22 7.536 -19.696 6.732 15 H GLU 23 HN GLU 23 8.274 -16.943 4.441 16 HA GLU 23 HA GLU 23 11.035 -16.005 4.350 17 HB2 GLU 23 HB2 GLU 23 10.615 -15.737 1.882 18 HB3 GLU 23 HB3 GLU 23 10.543 -17.387 2.484 19 HG2 GLU 23 HG2 GLU 23 8.094 -17.256 2.494 20 HG3 GLU 23 HG3 GLU 23 8.192 -15.615 1.852 21 H GLN 24 HN GLN 24 11.035 -13.970 2.568 22 HA GLN 24 HA GLN 24 9.597 -11.956 4.168 23 HB2 GLN 24 HB2 GLN 24 12.049 -11.935 4.367 24 HB3 GLN 24 HB3 GLN 24 12.183 -11.691 2.633 25 HG2 GLN 24 HG2 GLN 24 12.539 -9.617 3.783 26 HG3 GLN 24 HG3 GLN 24 11.038 -9.532 2.865 27 HE21 GLN 24 HE21 GLN 24 12.454 -9.715 6.036 28 HE22 GLN 24 HE22 GLN 24 11.046 -9.228 6.914 29 H SER 25 HN SER 25 11.099 -12.044 0.934 30 HA SER 25 HA SER 25 8.706 -10.709 -0.130 31 HG SER 25 HG SER 25 9.742 -9.232 1.367 32 HB2 SER 25 HB2 SER 25 11.556 -9.767 -0.537 33 HB3 SER 25 HB3 SER 25 10.117 -9.048 -1.260 34 H ASP 26 HN ASP 26 10.455 -13.244 -0.239 35 HA ASP 26 HA ASP 26 11.804 -13.478 -2.674 36 HB2 ASP 26 HB2 ASP 26 10.633 -15.717 -1.005 37 HB3 ASP 26 HB3 ASP 26 12.013 -15.813 -2.090 38 H GLU 27 HN GLU 27 8.780 -15.048 -1.694 39 HA GLU 27 HA GLU 27 7.867 -14.991 -4.505 40 HB2 GLU 27 HB2 GLU 27 8.120 -17.250 -3.527 41 HB3 GLU 27 HB3 GLU 27 7.079 -16.789 -2.193 42 HG2 GLU 27 HG2 GLU 27 5.600 -17.938 -3.466 43 HG3 GLU 27 HG3 GLU 27 5.358 -16.321 -4.129 44 H ALA 28 HN ALA 28 7.580 -13.643 -1.482 45 HA ALA 28 HA ALA 28 4.674 -13.407 -1.480 46 HB1 ALA 28 HB3 ALA 28 4.924 -12.694 0.830 47 HB2 ALA 28 HB1 ALA 28 5.767 -14.215 0.548 48 HB3 ALA 28 HB2 ALA 28 6.676 -12.709 0.660 49 H VAL 29 HN VAL 29 3.716 -11.678 -2.177 50 HA VAL 29 HA VAL 29 4.959 -9.131 -2.582 51 HB VAL 29 HB VAL 29 1.999 -9.769 -2.395 52 HG11 VAL 29 HG11 VAL 29 1.702 -7.777 -3.778 53 HG12 VAL 29 HG12 VAL 29 2.502 -7.389 -2.256 54 HG13 VAL 29 HG13 VAL 29 3.446 -7.494 -3.744 55 HG21 VAL 29 HG23 VAL 29 3.088 -11.197 -4.063 56 HG22 VAL 29 HG21 VAL 29 2.010 -10.022 -4.814 57 HG23 VAL 29 HG22 VAL 29 3.757 -9.765 -4.845 58 H LYS 30 HN LYS 30 5.093 -7.450 -1.121 59 HA LYS 30 HA LYS 30 4.849 -8.141 1.594 60 HB2 LYS 30 HB2 LYS 30 5.282 -5.435 0.337 61 HB3 LYS 30 HB3 LYS 30 5.315 -5.723 2.069 62 HG2 LYS 30 HG2 LYS 30 7.132 -7.433 1.601 63 HG3 LYS 30 HG3 LYS 30 7.212 -6.738 -0.019 64 HD2 LYS 30 HD2 LYS 30 7.729 -4.554 0.914 65 HD3 LYS 30 HD3 LYS 30 7.557 -5.194 2.552 66 HE2 LYS 30 HE2 LYS 30 9.889 -5.070 2.041 67 HE3 LYS 30 HE3 LYS 30 9.419 -6.766 2.064 68 HZ1 LYS 30 HZ3 LYS 30 9.162 -6.498 -0.444 69 HZ2 LYS 30 HZ1 LYS 30 10.735 -6.546 0.182 70 HZ3 LYS 30 HZ2 LYS 30 10.051 -5.066 -0.267 71 H TYR 31 HN TYR 31 3.235 -8.067 2.960 72 HA TYR 31 HA TYR 31 0.965 -6.295 2.355 73 HD1 TYR 31 HD2 TYR 31 -0.326 -7.367 0.741 74 HD2 TYR 31 HD1 TYR 31 0.858 -10.861 2.856 75 HE1 TYR 31 HE2 TYR 31 -0.635 -8.701 -1.301 76 HE2 TYR 31 HE1 TYR 31 0.554 -12.205 0.820 77 HH TYR 31 HH TYR 31 0.204 -10.850 -2.240 78 HB2 TYR 31 HB2 TYR 31 0.875 -8.857 3.961 79 HB3 TYR 31 HB3 TYR 31 -0.495 -7.849 3.513 80 H TYR 32 HN TYR 32 0.235 -4.967 4.011 81 HA TYR 32 HA TYR 32 1.961 -4.902 6.384 82 HD1 TYR 32 HD1 TYR 32 1.617 -3.557 3.171 83 HD2 TYR 32 HD2 TYR 32 2.956 -1.472 6.626 84 HE1 TYR 32 HE1 TYR 32 3.542 -2.717 1.901 85 HE2 TYR 32 HE2 TYR 32 4.892 -0.624 5.367 86 HH TYR 32 HH TYR 32 5.181 -1.054 1.919 87 HB2 TYR 32 HB2 TYR 32 0.075 -2.835 5.238 88 HB3 TYR 32 HB3 TYR 32 0.975 -2.630 6.739 89 H THR 33 HN THR 33 0.786 -4.243 8.475 90 HA THR 33 HA THR 33 -1.648 -5.852 8.659 91 HB THR 33 HB THR 33 -1.437 -5.305 11.157 92 HG1 THR 33 HG1 THR 33 1.003 -4.278 10.166 93 HG21 THR 33 HG23 THR 33 0.155 -7.122 11.489 94 HG22 THR 33 HG21 THR 33 0.674 -6.975 9.810 95 HG23 THR 33 HG22 THR 33 -0.973 -7.486 10.180 96 H LEU 34 HN LEU 34 -3.628 -5.065 9.081 97 HA LEU 34 HA LEU 34 -4.197 -2.357 8.493 98 HG LEU 34 HG LEU 34 -6.861 -2.154 9.991 99 HB2 LEU 34 HB2 LEU 34 -5.771 -4.204 8.077 100 HB3 LEU 34 HB3 LEU 34 -5.929 -4.491 9.793 101 HD11 LEU 34 HD11 LEU 34 -7.748 -1.146 7.933 102 HD12 LEU 34 HD12 LEU 34 -5.988 -1.217 7.955 103 HD13 LEU 34 HD13 LEU 34 -6.901 -2.375 6.991 104 HD21 LEU 34 HD23 LEU 34 -9.080 -2.757 9.146 105 HD22 LEU 34 HD21 LEU 34 -8.374 -4.110 8.262 106 HD23 LEU 34 HD22 LEU 34 -8.330 -4.088 10.023 107 H GLU 35 HN GLU 35 -3.399 -4.137 11.241 108 HA GLU 35 HA GLU 35 -4.268 -2.542 13.389 109 HB2 GLU 35 HB2 GLU 35 -1.934 -4.449 13.113 110 HB3 GLU 35 HB3 GLU 35 -2.495 -3.789 14.639 111 HG2 GLU 35 HG2 GLU 35 -3.289 -6.043 14.346 112 HG3 GLU 35 HG3 GLU 35 -4.641 -4.919 14.344 113 H GLU 36 HN GLU 36 -1.461 -2.384 11.299 114 HA GLU 36 HA GLU 36 -0.034 -0.625 13.138 115 HB2 GLU 36 HB2 GLU 36 1.883 -0.970 11.797 116 HB3 GLU 36 HB3 GLU 36 1.079 -2.529 11.889 117 HG2 GLU 36 HG2 GLU 36 0.156 -2.198 9.652 118 HG3 GLU 36 HG3 GLU 36 0.947 -0.622 9.564 119 H ILE 37 HN ILE 37 -1.767 -0.516 10.149 120 HA ILE 37 HA ILE 37 -0.773 2.055 9.345 121 HB ILE 37 HB ILE 37 -3.105 0.445 8.282 122 HG12 ILE 37 HG12 ILE 37 -0.305 0.779 7.202 123 HG13 ILE 37 HG13 ILE 37 -0.873 -0.638 8.080 124 HG21 ILE 37 HG21 ILE 37 -1.695 2.820 7.069 125 HG22 ILE 37 HG22 ILE 37 -2.960 1.864 6.299 126 HG23 ILE 37 HG23 ILE 37 -3.331 2.819 7.734 127 HD11 ILE 37 HD13 ILE 37 -0.835 -0.981 5.661 128 HD12 ILE 37 HD11 ILE 37 -2.465 -1.114 6.321 129 HD13 ILE 37 HD12 ILE 37 -1.976 0.347 5.460 130 H GLN 38 HN GLN 38 -3.416 0.816 11.204 131 HA GLN 38 HA GLN 38 -5.052 3.086 11.298 132 HB2 GLN 38 HB2 GLN 38 -4.682 0.639 12.859 133 HB3 GLN 38 HB3 GLN 38 -5.267 1.998 13.811 134 HG2 GLN 38 HG2 GLN 38 -6.525 1.015 11.260 135 HG3 GLN 38 HG3 GLN 38 -7.080 0.613 12.886 136 HE21 GLN 38 HE21 GLN 38 -6.781 3.145 10.490 137 HE22 GLN 38 HE22 GLN 38 -7.881 4.251 11.245 138 H LYS 39 HN LYS 39 -2.201 2.194 13.171 139 HA LYS 39 HA LYS 39 -2.404 4.586 14.784 140 HB2 LYS 39 HB2 LYS 39 -0.185 3.720 15.721 141 HB3 LYS 39 HB3 LYS 39 -1.625 2.763 16.015 142 HG2 LYS 39 HG2 LYS 39 -1.005 1.219 14.275 143 HG3 LYS 39 HG3 LYS 39 0.402 2.200 13.855 144 HD2 LYS 39 HD2 LYS 39 1.080 0.310 15.216 145 HD3 LYS 39 HD3 LYS 39 1.284 1.801 16.146 146 HE2 LYS 39 HE2 LYS 39 0.239 0.414 17.675 147 HE3 LYS 39 HE3 LYS 39 -1.109 1.311 16.977 148 HZ1 LYS 39 HZ3 LYS 39 -0.310 -1.482 16.407 149 HZ2 LYS 39 HZ1 LYS 39 -1.389 -0.620 15.414 150 HZ3 LYS 39 HZ2 LYS 39 -1.777 -0.920 17.036 151 H HIS 40 HN HIS 40 -1.711 4.362 11.750 152 HA HIS 40 HA HIS 40 0.462 6.369 11.846 153 HD1 HIS 40 HD1 HIS 40 1.488 2.498 9.412 154 HD2 HIS 40 HD2 HIS 40 2.513 5.253 12.349 155 HE1 HIS 40 HE1 HIS 40 3.445 1.490 10.624 156 HE2 HIS 40 HE2 HIS 40 4.128 3.228 12.317 157 HB2 HIS 40 HB2 HIS 40 -0.204 4.369 9.653 158 HB3 HIS 40 HB3 HIS 40 0.900 5.715 9.443 159 H ASN 41 HN ASN 41 -2.154 7.010 12.373 160 HA ASN 41 HA ASN 41 -3.333 8.119 9.912 161 HB2 ASN 41 HB2 ASN 41 -5.411 8.172 11.071 162 HB3 ASN 41 HB3 ASN 41 -4.678 6.629 11.491 163 HD21 ASN 41 HD21 ASN 41 -4.155 6.210 13.597 164 HD22 ASN 41 HD22 ASN 41 -4.538 7.277 14.906 165 H HIS 42 HN HIS 42 -1.126 9.235 11.936 166 HA HIS 42 HA HIS 42 -2.520 11.715 12.635 167 HD1 HIS 42 HD1 HIS 42 0.615 9.770 13.635 168 HD2 HIS 42 HD2 HIS 42 -2.155 8.456 16.443 169 HE1 HIS 42 HE1 HIS 42 1.717 7.846 14.815 170 HE2 HIS 42 HE2 HIS 42 -0.081 6.912 16.317 171 HB2 HIS 42 HB2 HIS 42 -1.800 11.477 15.015 172 HB3 HIS 42 HB3 HIS 42 -2.997 10.293 14.505 173 H SER 43 HN SER 43 -0.831 12.820 14.371 174 HA SER 43 HA SER 43 0.891 14.323 12.981 175 HG SER 43 HG SER 43 -0.331 15.183 15.915 176 HB2 SER 43 HB2 SER 43 1.700 13.475 15.733 177 HB3 SER 43 HB3 SER 43 1.581 15.098 15.052 178 H LYS 44 HN LYS 44 1.876 11.384 14.723 179 HA LYS 44 HA LYS 44 4.634 11.676 14.105 180 HB2 LYS 44 HB2 LYS 44 3.000 9.531 15.423 181 HB3 LYS 44 HB3 LYS 44 4.712 9.293 15.091 182 HG2 LYS 44 HG2 LYS 44 5.227 11.308 16.395 183 HG3 LYS 44 HG3 LYS 44 3.512 11.492 16.764 184 HD2 LYS 44 HD2 LYS 44 3.492 9.466 18.020 185 HD3 LYS 44 HD3 LYS 44 5.106 9.030 17.454 186 HE2 LYS 44 HE2 LYS 44 4.461 11.432 19.167 187 HE3 LYS 44 HE3 LYS 44 5.103 9.905 19.769 188 HZ1 LYS 44 HZ3 LYS 44 7.094 10.224 18.530 189 HZ2 LYS 44 HZ1 LYS 44 6.809 11.656 19.392 190 HZ3 LYS 44 HZ2 LYS 44 6.471 11.581 17.731 191 H SER 45 HN SER 45 2.133 10.510 12.199 192 HA SER 45 HA SER 45 3.695 9.736 10.056 193 HG SER 45 HG SER 45 4.126 7.471 9.146 194 HB2 SER 45 HB2 SER 45 4.379 7.781 11.416 195 HB3 SER 45 HB3 SER 45 2.693 7.324 11.599 196 H THR 46 HN THR 46 2.420 9.671 8.269 197 HA THR 46 HA THR 46 -0.457 9.252 8.702 198 HB THR 46 HB THR 46 0.662 11.341 6.825 199 HG1 THR 46 HG1 THR 46 -0.692 12.330 8.948 200 HG21 THR 46 HG23 THR 46 -1.673 12.153 6.859 201 HG22 THR 46 HG21 THR 46 -2.114 10.783 7.874 202 HG23 THR 46 HG22 THR 46 -1.544 10.513 6.229 203 H TRP 47 HN TRP 47 -0.853 7.380 7.691 204 HA TRP 47 HA TRP 47 -0.007 7.162 4.871 205 HD1 TRP 47 HD1 TRP 47 2.116 7.110 5.793 206 HE1 TRP 47 HE1 TRP 47 4.383 6.015 6.329 207 HE3 TRP 47 HE3 TRP 47 0.504 2.361 6.807 208 HZ2 TRP 47 HZ2 TRP 47 5.342 3.477 7.097 209 HZ3 TRP 47 HZ3 TRP 47 2.171 0.657 7.425 210 HH2 TRP 47 HH2 TRP 47 4.546 1.204 7.563 211 HB2 TRP 47 HB2 TRP 47 -0.673 4.933 6.813 212 HB3 TRP 47 HB3 TRP 47 -0.408 4.708 5.092 213 H LEU 48 HN LEU 48 -1.693 5.568 3.721 214 HA LEU 48 HA LEU 48 -4.348 5.750 4.846 215 HG LEU 48 HG LEU 48 -3.377 6.076 1.328 216 HB2 LEU 48 HB2 LEU 48 -5.415 6.743 2.929 217 HB3 LEU 48 HB3 LEU 48 -4.209 7.837 3.577 218 HD11 LEU 48 HD11 LEU 48 -4.270 7.729 -0.294 219 HD12 LEU 48 HD12 LEU 48 -5.527 6.804 0.533 220 HD13 LEU 48 HD13 LEU 48 -5.190 8.466 1.019 221 HD21 LEU 48 HD23 LEU 48 -1.815 7.621 2.423 222 HD22 LEU 48 HD21 LEU 48 -2.075 8.039 0.730 223 HD23 LEU 48 HD22 LEU 48 -2.867 8.971 2.002 224 H ILE 49 HN ILE 49 -5.970 4.719 3.216 225 HA ILE 49 HA ILE 49 -4.691 2.539 1.719 226 HB ILE 49 HB ILE 49 -6.980 2.236 3.676 227 HG12 ILE 49 HG12 ILE 49 -4.222 0.999 3.600 228 HG13 ILE 49 HG13 ILE 49 -4.740 2.284 4.681 229 HG21 ILE 49 HG21 ILE 49 -5.844 0.204 1.752 230 HG22 ILE 49 HG22 ILE 49 -6.979 -0.152 3.056 231 HG23 ILE 49 HG23 ILE 49 -7.467 0.894 1.722 232 HD11 ILE 49 HD13 ILE 49 -6.326 0.777 5.730 233 HD12 ILE 49 HD11 ILE 49 -5.854 -0.509 4.622 234 HD13 ILE 49 HD12 ILE 49 -4.692 0.121 5.790 235 H LEU 50 HN LEU 50 -5.467 2.358 -0.274 236 HA LEU 50 HA LEU 50 -8.148 3.455 -0.851 237 HG LEU 50 HG LEU 50 -5.881 5.490 -1.009 238 HB2 LEU 50 HB2 LEU 50 -5.626 3.573 -2.496 239 HB3 LEU 50 HB3 LEU 50 -7.211 3.868 -3.180 240 HD11 LEU 50 HD11 LEU 50 -5.912 7.261 -2.737 241 HD12 LEU 50 HD12 LEU 50 -4.893 5.890 -3.166 242 HD13 LEU 50 HD13 LEU 50 -6.484 6.068 -3.906 243 HD21 LEU 50 HD23 LEU 50 -8.310 5.361 -0.693 244 HD22 LEU 50 HD21 LEU 50 -7.804 6.977 -1.186 245 HD23 LEU 50 HD22 LEU 50 -8.554 5.892 -2.356 246 H HIS 51 HN HIS 51 -9.409 1.713 -1.050 247 HA HIS 51 HA HIS 51 -10.287 -0.244 -1.796 248 HD1 HIS 51 HD1 HIS 51 -11.173 -1.266 -5.072 249 HD2 HIS 51 HD2 HIS 51 -9.452 2.445 -4.317 250 HE1 HIS 51 HE1 HIS 51 -12.473 0.381 -6.459 251 HE2 HIS 51 HE2 HIS 51 -11.539 2.640 -5.841 252 HB2 HIS 51 HB2 HIS 51 -8.024 -0.080 -3.781 253 HB3 HIS 51 HB3 HIS 51 -9.121 -1.451 -3.720 254 H HIS 52 HN HIS 52 -6.751 -0.577 -1.867 255 HA HIS 52 HA HIS 52 -6.859 -2.789 0.043 256 HD1 HIS 52 HD1 HIS 52 -6.214 -5.928 -3.174 257 HD2 HIS 52 HD2 HIS 52 -8.606 -4.143 -0.277 258 HE1 HIS 52 HE1 HIS 52 -8.038 -7.588 -2.681 259 HE2 HIS 52 HE2 HIS 52 -9.468 -6.496 -0.909 260 HB2 HIS 52 HB2 HIS 52 -6.274 -3.047 -2.849 261 HB3 HIS 52 HB3 HIS 52 -5.154 -3.858 -1.764 262 H LYS 53 HN LYS 53 -5.140 -0.424 -1.818 263 HA LYS 53 HA LYS 53 -2.584 -1.431 -0.911 264 HB2 LYS 53 HB2 LYS 53 -3.252 0.680 -2.970 265 HB3 LYS 53 HB3 LYS 53 -1.638 0.060 -2.627 266 HG2 LYS 53 HG2 LYS 53 -1.980 -1.866 -3.730 267 HG3 LYS 53 HG3 LYS 53 -3.653 -1.994 -3.190 268 HD2 LYS 53 HD2 LYS 53 -3.842 -1.693 -5.490 269 HD3 LYS 53 HD3 LYS 53 -4.112 -0.074 -4.843 270 HE2 LYS 53 HE2 LYS 53 -1.946 0.632 -5.449 271 HE3 LYS 53 HE3 LYS 53 -1.413 -1.022 -5.753 272 HZ1 LYS 53 HZ3 LYS 53 -3.399 0.502 -7.353 273 HZ2 LYS 53 HZ1 LYS 53 -2.981 -1.120 -7.614 274 HZ3 LYS 53 HZ2 LYS 53 -1.825 0.095 -7.824 275 H VAL 54 HN VAL 54 -1.334 -0.534 0.513 276 HA VAL 54 HA VAL 54 -2.224 1.812 1.964 277 HB VAL 54 HB VAL 54 -1.289 -0.048 3.231 278 HG11 VAL 54 HG11 VAL 54 1.072 -0.679 3.043 279 HG12 VAL 54 HG12 VAL 54 0.179 -0.994 1.555 280 HG13 VAL 54 HG13 VAL 54 1.242 0.408 1.666 281 HG21 VAL 54 HG23 VAL 54 -0.940 2.210 4.116 282 HG22 VAL 54 HG21 VAL 54 0.390 1.137 4.551 283 HG23 VAL 54 HG22 VAL 54 0.592 2.313 3.252 284 H TYR 55 HN TYR 55 -1.395 3.812 1.780 285 HA TYR 55 HA TYR 55 0.877 4.179 -0.059 286 HD1 TYR 55 HD2 TYR 55 -2.978 4.170 -0.240 287 HD2 TYR 55 HD1 TYR 55 -0.005 5.760 -2.825 288 HE1 TYR 55 HE2 TYR 55 -4.150 3.205 -2.171 289 HE2 TYR 55 HE1 TYR 55 -1.173 4.809 -4.763 290 HH TYR 55 HH TYR 55 -4.315 3.679 -4.637 291 HB2 TYR 55 HB2 TYR 55 -1.440 6.071 0.426 292 HB3 TYR 55 HB3 TYR 55 -0.044 6.415 -0.587 293 H ASP 56 HN ASP 56 2.509 5.532 0.603 294 HA ASP 56 HA ASP 56 2.352 6.485 3.373 295 HB2 ASP 56 HB2 ASP 56 4.283 5.059 2.728 296 HB3 ASP 56 HB3 ASP 56 4.755 6.264 1.544 297 H LEU 57 HN LEU 57 2.273 8.676 3.797 298 HA LEU 57 HA LEU 57 2.696 10.418 1.465 299 HG LEU 57 HG LEU 57 -0.052 9.481 2.873 300 HB2 LEU 57 HB2 LEU 57 1.320 11.185 4.027 301 HB3 LEU 57 HB3 LEU 57 1.391 12.109 2.544 302 HD11 LEU 57 HD11 LEU 57 -2.079 10.801 2.755 303 HD12 LEU 57 HD12 LEU 57 -1.087 11.319 4.118 304 HD13 LEU 57 HD13 LEU 57 -1.130 12.284 2.641 305 HD21 LEU 57 HD23 LEU 57 -0.023 11.426 0.565 306 HD22 LEU 57 HD21 LEU 57 0.811 9.871 0.599 307 HD23 LEU 57 HD22 LEU 57 -0.952 9.929 0.664 308 H THR 58 HN THR 58 3.006 10.584 4.954 309 HA THR 58 HA THR 58 4.434 11.595 6.361 310 HB THR 58 HB THR 58 6.535 10.517 4.511 311 HG1 THR 58 HG1 THR 58 5.502 8.690 4.946 312 HG21 THR 58 HG23 THR 58 7.429 11.917 6.277 313 HG22 THR 58 HG21 THR 58 7.782 10.225 6.628 314 HG23 THR 58 HG22 THR 58 6.472 11.048 7.479 315 H LYS 59 HN LYS 59 6.442 12.207 3.464 316 HA LYS 59 HA LYS 59 6.849 14.933 4.256 317 HB2 LYS 59 HB2 LYS 59 7.540 13.395 1.759 318 HB3 LYS 59 HB3 LYS 59 7.894 15.109 1.945 319 HG2 LYS 59 HG2 LYS 59 9.229 14.582 3.944 320 HG3 LYS 59 HG3 LYS 59 8.945 12.863 3.646 321 HD2 LYS 59 HD2 LYS 59 10.079 12.978 1.541 322 HD3 LYS 59 HD3 LYS 59 10.205 14.736 1.651 323 HE2 LYS 59 HE2 LYS 59 12.329 13.829 2.227 324 HE3 LYS 59 HE3 LYS 59 11.584 14.422 3.707 325 HZ1 LYS 59 HZ3 LYS 59 12.662 12.217 3.917 326 HZ2 LYS 59 HZ1 LYS 59 11.510 11.586 2.851 327 HZ3 LYS 59 HZ2 LYS 59 11.023 12.214 4.346 328 H PHE 60 HN PHE 60 4.636 13.208 2.269 329 HA PHE 60 HA PHE 60 4.100 15.185 0.329 330 HD1 PHE 60 HD2 PHE 60 3.733 14.494 -1.965 331 HD2 PHE 60 HD1 PHE 60 0.278 12.982 0.015 332 HE1 PHE 60 HE2 PHE 60 2.374 14.990 -3.959 333 HE2 PHE 60 HE1 PHE 60 -1.080 13.471 -1.977 334 HZ PHE 60 HZ PHE 60 -0.035 14.475 -3.967 335 HB2 PHE 60 HB2 PHE 60 3.704 12.697 0.086 336 HB3 PHE 60 HB3 PHE 60 2.286 12.897 1.104 337 H LEU 61 HN LEU 61 3.301 15.148 3.514 338 HA LEU 61 HA LEU 61 0.584 15.544 3.694 339 HG LEU 61 HG LEU 61 2.841 14.201 5.388 340 HB2 LEU 61 HB2 LEU 61 2.776 16.661 5.428 341 HB3 LEU 61 HB3 LEU 61 1.075 16.614 5.870 342 HD11 LEU 61 HD11 LEU 61 2.482 13.835 7.803 343 HD12 LEU 61 HD12 LEU 61 3.391 15.300 7.450 344 HD13 LEU 61 HD13 LEU 61 1.692 15.408 7.896 345 HD21 LEU 61 HD23 LEU 61 0.913 12.915 6.182 346 HD22 LEU 61 HD21 LEU 61 -0.049 14.393 6.237 347 HD23 LEU 61 HD22 LEU 61 0.546 13.785 4.692 348 H GLU 62 HN GLU 62 3.016 17.865 2.735 349 HA GLU 62 HA GLU 62 1.169 20.084 3.255 350 HB2 GLU 62 HB2 GLU 62 3.161 21.518 3.068 351 HB3 GLU 62 HB3 GLU 62 3.360 20.268 4.285 352 HG2 GLU 62 HG2 GLU 62 4.714 18.949 2.776 353 HG3 GLU 62 HG3 GLU 62 4.465 20.135 1.495 354 H GLU 63 HN GLU 63 2.526 18.251 0.750 355 HA GLU 63 HA GLU 63 2.621 20.352 -1.237 356 HB2 GLU 63 HB2 GLU 63 3.171 17.385 -1.389 357 HB3 GLU 63 HB3 GLU 63 3.391 18.507 -2.725 358 HG2 GLU 63 HG2 GLU 63 4.818 18.742 -0.083 359 HG3 GLU 63 HG3 GLU 63 5.477 17.928 -1.500 360 H HIS 64 HN HIS 64 0.424 17.928 -0.201 361 HA HIS 64 HA HIS 64 -1.027 17.724 -2.635 362 HD1 HIS 64 HD1 HIS 64 -4.268 16.869 0.204 363 HD2 HIS 64 HD2 HIS 64 -2.641 14.852 -3.103 364 HE1 HIS 64 HE1 HIS 64 -6.187 15.596 -0.902 365 HB2 HIS 64 HB3 HIS 64 -0.917 15.872 -1.059 366 HB3 HIS 64 HB2 HIS 64 -1.678 16.813 0.184 367 HA PRO 65 HA PRO 65 -3.625 21.368 -2.496 368 HB2 PRO 65 HB2 PRO 65 -5.791 19.336 -2.927 369 HB3 PRO 65 HB3 PRO 65 -5.534 20.890 -3.734 370 HG2 PRO 65 HG2 PRO 65 -4.821 18.628 -4.933 371 HG3 PRO 65 HG3 PRO 65 -3.794 20.071 -5.039 372 HD2 PRO 65 HD2 PRO 65 -3.396 17.580 -3.474 373 HD3 PRO 65 HD3 PRO 65 -2.194 18.682 -4.168 374 H GLY 66 HN GLY 66 -5.178 18.530 -0.975 375 HA2 GLY 66 HA1 GLY 66 -6.281 20.205 1.135 376 HA3 GLY 66 HA2 GLY 66 -6.538 18.475 0.931 377 H GLY 67 HN GLY 67 -4.851 20.851 2.639 378 HA2 GLY 67 HA1 GLY 67 -2.439 19.369 3.098 379 HA3 GLY 67 HA2 GLY 67 -2.881 20.895 3.838 380 H GLU 68 HN GLU 68 -1.822 18.190 4.715 381 HA GLU 68 HA GLU 68 -1.875 16.840 6.537 382 HB2 GLU 68 HB2 GLU 68 -0.978 19.032 7.306 383 HB3 GLU 68 HB3 GLU 68 -2.581 19.421 7.917 384 HG2 GLU 68 HG2 GLU 68 -2.462 17.371 9.332 385 HG3 GLU 68 HG3 GLU 68 -0.787 17.183 8.814 386 H GLU 69 HN GLU 69 -4.407 19.031 7.721 387 HA GLU 69 HA GLU 69 -5.513 17.074 9.354 388 HB2 GLU 69 HB2 GLU 69 -5.795 19.513 9.668 389 HB3 GLU 69 HB3 GLU 69 -6.911 19.535 8.308 390 HG2 GLU 69 HG2 GLU 69 -8.512 18.253 9.455 391 HG3 GLU 69 HG3 GLU 69 -7.355 17.791 10.704 392 H VAL 70 HN VAL 70 -6.525 18.134 6.143 393 HA VAL 70 HA VAL 70 -8.953 16.619 6.183 394 HB VAL 70 HB VAL 70 -7.603 17.723 3.720 395 HG11 VAL 70 HG11 VAL 70 -9.517 16.296 3.280 396 HG12 VAL 70 HG12 VAL 70 -10.496 17.223 4.416 397 HG13 VAL 70 HG13 VAL 70 -9.925 17.976 2.928 398 HG21 VAL 70 HG23 VAL 70 -7.681 19.484 5.408 399 HG22 VAL 70 HG21 VAL 70 -8.820 19.808 4.104 400 HG23 VAL 70 HG22 VAL 70 -9.402 19.185 5.648 401 H LEU 71 HN LEU 71 -5.690 15.873 5.565 402 HA LEU 71 HA LEU 71 -6.195 13.489 3.994 403 HG LEU 71 HG LEU 71 -4.257 15.830 3.535 404 HB2 LEU 71 HB2 LEU 71 -3.721 14.398 5.497 405 HB3 LEU 71 HB3 LEU 71 -3.797 12.993 4.450 406 HD11 LEU 71 HD11 LEU 71 -1.939 15.441 4.265 407 HD12 LEU 71 HD12 LEU 71 -1.844 14.066 3.161 408 HD13 LEU 71 HD13 LEU 71 -2.064 15.695 2.526 409 HD21 LEU 71 HD23 LEU 71 -4.057 14.866 1.294 410 HD22 LEU 71 HD21 LEU 71 -3.927 13.257 1.999 411 HD23 LEU 71 HD22 LEU 71 -5.420 14.180 2.174 412 H ARG 72 HN ARG 72 -5.334 14.417 7.218 413 HA ARG 72 HA ARG 72 -4.895 12.079 8.553 414 HE ARG 72 HE ARG 72 -6.464 13.091 13.512 415 HB2 ARG 72 HB2 ARG 72 -4.399 14.135 9.627 416 HB3 ARG 72 HB3 ARG 72 -6.052 14.706 9.467 417 HG2 ARG 72 HG2 ARG 72 -6.788 13.015 11.077 418 HG3 ARG 72 HG3 ARG 72 -5.126 12.462 11.253 419 HD2 ARG 72 HD2 ARG 72 -4.455 14.535 12.227 420 HD3 ARG 72 HD3 ARG 72 -5.991 15.292 11.817 421 HH11 ARG 72 HH12 ARG 72 -5.061 16.298 13.585 422 HH12 ARG 72 HH11 ARG 72 -5.482 16.592 15.248 423 HH21 ARG 72 HH22 ARG 72 -7.029 13.482 15.728 424 HH22 ARG 72 HH21 ARG 72 -6.614 15.004 16.453 425 H GLU 73 HN GLU 73 -7.961 13.742 8.105 426 HA GLU 73 HA GLU 73 -9.567 12.261 9.832 427 HB2 GLU 73 HB2 GLU 73 -10.218 14.433 8.883 428 HB3 GLU 73 HB3 GLU 73 -10.358 13.709 7.288 429 HG2 GLU 73 HG2 GLU 73 -12.179 12.274 8.131 430 HG3 GLU 73 HG3 GLU 73 -12.054 13.072 9.694 431 H GLN 74 HN GLN 74 -8.402 11.479 6.680 432 HA GLN 74 HA GLN 74 -10.178 9.123 6.562 433 HB2 GLN 74 HB2 GLN 74 -9.013 10.770 4.309 434 HB3 GLN 74 HB3 GLN 74 -9.917 9.278 4.089 435 HG2 GLN 74 HG2 GLN 74 -10.986 11.785 5.367 436 HG3 GLN 74 HG3 GLN 74 -11.260 11.303 3.695 437 HE21 GLN 74 HE21 GLN 74 -11.481 8.443 4.499 438 HE22 GLN 74 HE22 GLN 74 -13.055 8.299 5.202 439 H ALA 75 HN ALA 75 -7.323 9.803 7.551 440 HA ALA 75 HA ALA 75 -5.699 8.078 5.830 441 HB1 ALA 75 HB3 ALA 75 -3.801 9.000 7.120 442 HB2 ALA 75 HB1 ALA 75 -4.768 10.250 6.335 443 HB3 ALA 75 HB2 ALA 75 -4.942 9.958 8.064 444 H GLY 76 HN GLY 76 -4.550 6.328 6.640 445 HA2 GLY 76 HA1 GLY 76 -3.958 4.671 8.164 446 HA3 GLY 76 HA2 GLY 76 -4.944 5.475 9.383 447 H GLY 77 HN GLY 77 -6.912 5.349 6.805 448 HA2 GLY 77 HA1 GLY 77 -7.602 2.521 7.012 449 HA3 GLY 77 HA2 GLY 77 -8.843 3.698 7.449 450 H ASP 78 HN ASP 78 -9.966 2.589 5.571 451 HA ASP 78 HA ASP 78 -8.927 3.272 2.986 452 HB2 ASP 78 HB2 ASP 78 -10.874 2.234 2.047 453 HB3 ASP 78 HB3 ASP 78 -10.290 1.219 3.360 454 H ALA 79 HN ALA 79 -9.277 5.039 1.848 455 HA ALA 79 HA ALA 79 -11.348 6.898 2.804 456 HB1 ALA 79 HB3 ALA 79 -10.037 8.683 1.774 457 HB2 ALA 79 HB1 ALA 79 -9.068 7.775 2.937 458 HB3 ALA 79 HB2 ALA 79 -8.858 7.497 1.211 459 H THR 80 HN THR 80 -11.608 4.571 0.964 460 HA THR 80 HA THR 80 -11.342 5.461 -1.721 461 HB THR 80 HB THR 80 -11.058 3.082 -0.890 462 HG1 THR 80 HG1 THR 80 -12.605 3.740 -3.184 463 HG21 THR 80 HG23 THR 80 -13.165 2.937 0.378 464 HG22 THR 80 HG21 THR 80 -13.030 1.656 -0.829 465 HG23 THR 80 HG22 THR 80 -14.069 3.050 -1.132 466 H GLU 81 HN GLU 81 -13.890 5.891 0.502 467 HA GLU 81 HA GLU 81 -16.163 5.698 -1.100 468 HB2 GLU 81 HB2 GLU 81 -16.262 6.140 1.317 469 HB3 GLU 81 HB3 GLU 81 -15.586 7.744 1.056 470 HG2 GLU 81 HG2 GLU 81 -17.526 8.415 -0.194 471 HG3 GLU 81 HG3 GLU 81 -18.191 6.788 -0.107 472 H ASN 82 HN ASN 82 -14.348 8.616 -0.340 473 HA ASN 82 HA ASN 82 -15.505 10.396 -2.124 474 HB2 ASN 82 HB2 ASN 82 -14.055 11.053 -0.250 475 HB3 ASN 82 HB3 ASN 82 -12.670 10.310 -1.041 476 HD21 ASN 82 HD21 ASN 82 -15.209 12.311 -2.490 477 HD22 ASN 82 HD22 ASN 82 -14.145 13.587 -2.976 478 H PHE 83 HN PHE 83 -13.022 8.045 -2.523 479 HA PHE 83 HA PHE 83 -11.772 9.087 -4.846 480 HD1 PHE 83 HD1 PHE 83 -9.159 8.840 -4.673 481 HD2 PHE 83 HD2 PHE 83 -10.795 5.007 -5.525 482 HE1 PHE 83 HE1 PHE 83 -7.343 8.425 -6.280 483 HE2 PHE 83 HE2 PHE 83 -8.986 4.587 -7.138 484 HZ PHE 83 HZ PHE 83 -7.254 6.296 -7.515 485 HB2 PHE 83 HB2 PHE 83 -10.745 7.583 -3.095 486 HB3 PHE 83 HB3 PHE 83 -11.677 6.262 -3.784 487 H GLU 84 HN GLU 84 -14.319 6.791 -4.235 488 HA GLU 84 HA GLU 84 -14.377 5.788 -6.956 489 HB2 GLU 84 HB2 GLU 84 -16.142 5.231 -4.560 490 HB3 GLU 84 HB3 GLU 84 -16.304 4.435 -6.120 491 HG2 GLU 84 HG2 GLU 84 -13.996 4.255 -4.202 492 HG3 GLU 84 HG3 GLU 84 -15.132 2.983 -4.648 493 H ASP 85 HN ASP 85 -16.274 7.768 -4.808 494 HA ASP 85 HA ASP 85 -18.683 7.832 -6.252 495 HB2 ASP 85 HB2 ASP 85 -18.438 8.370 -3.822 496 HB3 ASP 85 HB3 ASP 85 -17.652 9.876 -4.279 497 H VAL 86 HN VAL 86 -15.971 10.036 -6.099 498 HA VAL 86 HA VAL 86 -16.265 11.011 -8.717 499 HB VAL 86 HB VAL 86 -18.204 12.212 -7.804 500 HG11 VAL 86 HG11 VAL 86 -17.680 12.378 -5.482 501 HG12 VAL 86 HG12 VAL 86 -16.267 13.378 -5.815 502 HG13 VAL 86 HG13 VAL 86 -17.885 14.012 -6.117 503 HG21 VAL 86 HG23 VAL 86 -16.909 13.271 -9.572 504 HG22 VAL 86 HG21 VAL 86 -17.609 14.476 -8.488 505 HG23 VAL 86 HG22 VAL 86 -15.896 14.066 -8.367 506 H GLY 87 HN GLY 87 -14.129 9.962 -7.865 507 HA2 GLY 87 HA1 GLY 87 -12.585 11.829 -6.213 508 HA3 GLY 87 HA2 GLY 87 -12.260 10.116 -6.389 509 H HIS 88 HN HIS 88 -11.347 13.160 -7.220 510 HA HIS 88 HA HIS 88 -9.446 13.875 -8.193 511 HD1 HIS 88 HD1 HIS 88 -8.622 10.088 -6.210 512 HD2 HIS 88 HD2 HIS 88 -7.016 13.878 -6.855 513 HE1 HIS 88 HE1 HIS 88 -7.433 10.749 -4.053 514 HB2 HIS 88 HB2 HIS 88 -8.976 10.928 -8.593 515 HB3 HIS 88 HB3 HIS 88 -7.825 12.153 -9.110 516 H SER 89 HN SER 89 -8.109 13.034 -10.512 517 HA SER 89 HA SER 89 -10.031 12.853 -12.649 518 HG SER 89 HG SER 89 -7.447 15.409 -12.391 519 HB2 SER 89 HB2 SER 89 -9.291 15.055 -13.639 520 HB3 SER 89 HB3 SER 89 -10.270 15.194 -12.172 521 H THR 90 HN THR 90 -8.589 10.954 -12.924 522 HA THR 90 HA THR 90 -7.122 9.843 -14.254 523 HB THR 90 HB THR 90 -6.699 12.532 -15.577 524 HG1 THR 90 HG1 THR 90 -8.807 10.802 -15.519 525 HG21 THR 90 HG23 THR 90 -4.961 10.898 -16.171 526 HG22 THR 90 HG21 THR 90 -6.032 11.209 -17.536 527 HG23 THR 90 HG22 THR 90 -6.205 9.726 -16.601 528 H ASP 91 HN ASP 91 -5.377 12.985 -14.032 529 HA ASP 91 HA ASP 91 -2.817 12.124 -14.047 530 HB2 ASP 91 HB2 ASP 91 -4.164 14.450 -12.905 531 HB3 ASP 91 HB3 ASP 91 -2.661 14.055 -12.082 532 H ALA 92 HN ALA 92 -4.882 12.151 -11.189 533 HA ALA 92 HA ALA 92 -2.781 11.475 -9.375 534 HB1 ALA 92 HB3 ALA 92 -4.537 11.378 -7.696 535 HB2 ALA 92 HB1 ALA 92 -4.693 12.823 -8.695 536 HB3 ALA 92 HB2 ALA 92 -5.765 11.449 -8.958 537 H ARG 93 HN ARG 93 -4.282 9.547 -11.603 538 HA ARG 93 HA ARG 93 -4.271 7.149 -9.923 539 HE ARG 93 HE ARG 93 -5.615 4.690 -13.495 540 HB2 ARG 93 HB2 ARG 93 -5.457 6.067 -11.629 541 HB3 ARG 93 HB3 ARG 93 -6.055 7.715 -11.739 542 HG2 ARG 93 HG2 ARG 93 -4.572 8.138 -13.608 543 HG3 ARG 93 HG3 ARG 93 -3.954 6.490 -13.497 544 HD2 ARG 93 HD2 ARG 93 -6.830 7.243 -14.006 545 HD3 ARG 93 HD3 ARG 93 -5.681 6.735 -15.234 546 HH11 ARG 93 HH12 ARG 93 -8.218 6.270 -15.247 547 HH12 ARG 93 HH11 ARG 93 -9.293 4.919 -15.099 548 HH21 ARG 93 HH22 ARG 93 -6.994 2.903 -13.383 549 HH22 ARG 93 HH21 ARG 93 -8.605 2.999 -14.029 550 H GLU 94 HN GLU 94 -2.178 9.009 -11.596 551 HA GLU 94 HA GLU 94 -0.328 6.811 -12.345 552 HB2 GLU 94 HB2 GLU 94 -0.543 9.566 -13.598 553 HB3 GLU 94 HB3 GLU 94 0.493 8.249 -14.130 554 HG2 GLU 94 HG2 GLU 94 -2.514 8.239 -14.194 555 HG3 GLU 94 HG3 GLU 94 -1.465 8.565 -15.570 556 H MET 95 HN MET 95 -0.912 9.818 -10.835 557 HA MET 95 HA MET 95 1.762 10.637 -10.327 558 HB2 MET 95 HB2 MET 95 -0.258 12.131 -10.364 559 HB3 MET 95 HB3 MET 95 -0.777 11.387 -8.858 560 HG2 MET 95 HG2 MET 95 0.253 13.376 -8.217 561 HG3 MET 95 HG3 MET 95 1.457 12.128 -7.909 562 HE1 MET 95 HE3 MET 95 0.273 14.931 -10.353 563 HE2 MET 95 HE1 MET 95 1.550 14.933 -11.567 564 HE3 MET 95 HE2 MET 95 0.450 13.559 -11.448 565 H SER 96 HN SER 96 -0.432 8.436 -8.842 566 HA SER 96 HA SER 96 0.668 8.833 -6.187 567 HG SER 96 HG SER 96 -2.756 6.830 -7.096 568 HB2 SER 96 HB2 SER 96 -1.232 7.515 -5.422 569 HB3 SER 96 HB3 SER 96 -1.772 8.757 -6.542 570 H LYS 97 HN LYS 97 1.526 7.110 -8.731 571 HA LYS 97 HA LYS 97 1.630 4.423 -8.159 572 HB2 LYS 97 HB2 LYS 97 3.551 6.162 -9.682 573 HB3 LYS 97 HB3 LYS 97 3.638 4.407 -9.674 574 HG2 LYS 97 HG2 LYS 97 1.449 4.274 -10.689 575 HG3 LYS 97 HG3 LYS 97 1.293 6.035 -10.633 576 HD2 LYS 97 HD2 LYS 97 3.269 6.248 -12.048 577 HD3 LYS 97 HD3 LYS 97 3.411 4.494 -12.124 578 HE2 LYS 97 HE2 LYS 97 1.184 6.198 -13.191 579 HE3 LYS 97 HE3 LYS 97 2.377 5.309 -14.125 580 HZ1 LYS 97 HZ3 LYS 97 1.468 3.247 -13.257 581 HZ2 LYS 97 HZ1 LYS 97 0.276 4.147 -14.055 582 HZ3 LYS 97 HZ2 LYS 97 0.317 4.108 -12.368 583 H THR 98 HN THR 98 3.861 6.928 -7.102 584 HA THR 98 HA THR 98 5.838 4.992 -6.221 585 HB THR 98 HB THR 98 7.052 7.141 -5.515 586 HG1 THR 98 HG1 THR 98 5.853 8.784 -7.176 587 HG21 THR 98 HG23 THR 98 6.330 6.697 -8.414 588 HG22 THR 98 HG21 THR 98 7.677 5.967 -7.542 589 HG23 THR 98 HG22 THR 98 7.665 7.702 -7.852 590 H PHE 99 HN PHE 99 3.060 6.113 -4.945 591 HA PHE 99 HA PHE 99 4.094 6.362 -2.208 592 HD1 PHE 99 HD1 PHE 99 3.738 8.787 -1.217 593 HD2 PHE 99 HD2 PHE 99 1.647 8.604 -4.915 594 HE1 PHE 99 HE1 PHE 99 4.503 11.060 -1.756 595 HE2 PHE 99 HE2 PHE 99 2.411 10.876 -5.467 596 HZ PHE 99 HZ PHE 99 3.908 12.072 -3.937 597 HB2 PHE 99 HB2 PHE 99 1.338 6.929 -3.339 598 HB3 PHE 99 HB3 PHE 99 1.817 7.175 -1.663 599 H ILE 100 HN ILE 100 2.719 4.167 -4.342 600 HA ILE 100 HA ILE 100 1.099 2.671 -2.513 601 HB ILE 100 HB ILE 100 2.256 1.674 -5.126 602 HG12 ILE 100 HG12 ILE 100 -0.312 3.216 -4.706 603 HG13 ILE 100 HG13 ILE 100 1.136 3.832 -5.498 604 HG21 ILE 100 HG21 ILE 100 -0.234 0.923 -3.597 605 HG22 ILE 100 HG22 ILE 100 0.246 0.262 -5.161 606 HG23 ILE 100 HG23 ILE 100 1.242 -0.036 -3.734 607 HD11 ILE 100 HD13 ILE 100 -0.526 3.177 -7.127 608 HD12 ILE 100 HD11 ILE 100 0.889 2.133 -7.241 609 HD13 ILE 100 HD12 ILE 100 -0.575 1.549 -6.449 610 H ILE 101 HN ILE 101 2.294 1.880 -0.772 611 HA ILE 101 HA ILE 101 4.895 0.699 -1.388 612 HB ILE 101 HB ILE 101 5.203 0.642 1.114 613 HG12 ILE 101 HG12 ILE 101 2.741 2.403 1.049 614 HG13 ILE 101 HG13 ILE 101 2.818 0.780 1.727 615 HG21 ILE 101 HG21 ILE 101 4.763 3.323 -0.199 616 HG22 ILE 101 HG22 ILE 101 5.741 3.026 1.237 617 HG23 ILE 101 HG23 ILE 101 6.218 2.335 -0.313 618 HD11 ILE 101 HD13 ILE 101 2.917 2.543 3.431 619 HD12 ILE 101 HD11 ILE 101 4.356 1.524 3.425 620 HD13 ILE 101 HD12 ILE 101 4.413 3.134 2.709 621 H GLY 102 HN GLY 102 1.724 -0.364 -0.864 622 HA2 GLY 102 HA1 GLY 102 2.228 -2.907 -1.668 623 HA3 GLY 102 HA2 GLY 102 2.516 -2.999 0.063 624 H GLU 103 HN GLU 103 0.724 -4.618 -0.209 625 HA GLU 103 HA GLU 103 -1.903 -3.302 -0.117 626 HB2 GLU 103 HB2 GLU 103 -1.178 -6.201 -0.576 627 HB3 GLU 103 HB3 GLU 103 -2.820 -5.659 -0.272 628 HG2 GLU 103 HG2 GLU 103 -2.514 -4.121 -2.271 629 HG3 GLU 103 HG3 GLU 103 -1.074 -5.069 -2.632 630 H LEU 104 HN LEU 104 -3.338 -5.080 1.383 631 HA LEU 104 HA LEU 104 -2.110 -4.687 4.015 632 HG LEU 104 HG LEU 104 -5.321 -3.041 4.641 633 HB2 LEU 104 HB2 LEU 104 -4.875 -4.734 2.998 634 HB3 LEU 104 HB3 LEU 104 -4.634 -5.414 4.592 635 HD11 LEU 104 HD11 LEU 104 -2.523 -3.480 5.664 636 HD12 LEU 104 HD12 LEU 104 -3.706 -2.322 6.275 637 HD13 LEU 104 HD13 LEU 104 -3.988 -4.055 6.457 638 HD21 LEU 104 HD23 LEU 104 -2.655 -2.571 3.321 639 HD22 LEU 104 HD21 LEU 104 -4.238 -2.288 2.603 640 HD23 LEU 104 HD22 LEU 104 -3.710 -1.319 3.979 641 H HIS 105 HN HIS 105 -2.893 -6.325 5.694 642 HA HIS 105 HA HIS 105 -1.799 -8.833 5.128 643 HD1 HIS 105 HD1 HIS 105 -2.355 -10.457 8.940 644 HD2 HIS 105 HD2 HIS 105 0.147 -7.926 6.779 645 HE1 HIS 105 HE1 HIS 105 -0.014 -11.029 9.666 646 HE2 HIS 105 HE2 HIS 105 1.448 -9.306 8.534 647 HB2 HIS 105 HB2 HIS 105 -2.935 -7.472 7.371 648 HB3 HIS 105 HB3 HIS 105 -3.611 -9.094 7.304 649 HA PRO 106 HA PRO 106 -4.802 -11.726 3.442 650 HB2 PRO 106 HB2 PRO 106 -4.592 -12.913 6.195 651 HB3 PRO 106 HB3 PRO 106 -4.606 -13.728 4.623 652 HG2 PRO 106 HG2 PRO 106 -2.316 -13.320 5.882 653 HG3 PRO 106 HG3 PRO 106 -2.425 -13.097 4.127 654 HD2 PRO 106 HD2 PRO 106 -2.185 -11.073 6.274 655 HD3 PRO 106 HD3 PRO 106 -1.673 -10.992 4.580 656 H ASP 107 HN ASP 107 -5.515 -9.810 6.146 657 HA ASP 107 HA ASP 107 -8.161 -10.908 6.676 658 HB2 ASP 107 HB2 ASP 107 -6.686 -10.459 8.591 659 HB3 ASP 107 HB3 ASP 107 -6.542 -8.780 8.099 660 H ASP 108 HN ASP 108 -6.548 -8.279 5.181 661 HA ASP 108 HA ASP 108 -9.104 -6.976 4.515 662 HB2 ASP 108 HB2 ASP 108 -7.447 -5.418 5.378 663 HB3 ASP 108 HB3 ASP 108 -6.249 -6.012 4.233 664 H ARG 109 HN ARG 109 -6.162 -8.429 3.317 665 HA ARG 109 HA ARG 109 -6.730 -8.108 0.530 666 HE ARG 109 HE ARG 109 -3.062 -8.731 -2.360 667 HB2 ARG 109 HB2 ARG 109 -4.470 -8.629 1.994 668 HB3 ARG 109 HB3 ARG 109 -4.844 -10.226 1.365 669 HG2 ARG 109 HG2 ARG 109 -5.004 -8.209 -0.701 670 HG3 ARG 109 HG3 ARG 109 -3.427 -8.220 0.090 671 HD2 ARG 109 HD2 ARG 109 -3.193 -10.590 -0.359 672 HD3 ARG 109 HD3 ARG 109 -4.803 -10.641 -1.077 673 HH11 ARG 109 HH12 ARG 109 -3.976 -12.108 -2.229 674 HH12 ARG 109 HH11 ARG 109 -3.499 -12.453 -3.862 675 HH21 ARG 109 HH22 ARG 109 -2.407 -9.146 -4.489 676 HH22 ARG 109 HH21 ARG 109 -2.589 -10.738 -5.166 677 HA PRO 110 HA PRO 110 -10.082 -10.335 -0.292 678 HB2 PRO 110 HB2 PRO 110 -8.670 -12.565 -1.623 679 HB3 PRO 110 HB3 PRO 110 -9.957 -11.514 -2.225 680 HG2 PRO 110 HG2 PRO 110 -7.123 -11.255 -2.613 681 HG3 PRO 110 HG3 PRO 110 -8.413 -10.217 -3.238 682 HD2 PRO 110 HD2 PRO 110 -6.543 -9.413 -1.383 683 HD3 PRO 110 HD3 PRO 110 -8.157 -8.685 -1.548 684 H LYS 111 HN LYS 111 -10.171 -10.826 2.098 685 HA LYS 111 HA LYS 111 -9.806 -13.293 3.184 686 HB2 LYS 111 HB2 LYS 111 -12.437 -11.822 3.326 687 HB3 LYS 111 HB3 LYS 111 -11.772 -12.925 4.521 688 HG2 LYS 111 HG2 LYS 111 -9.936 -11.355 4.926 689 HG3 LYS 111 HG3 LYS 111 -10.642 -10.242 3.756 690 HD2 LYS 111 HD2 LYS 111 -11.310 -9.453 5.872 691 HD3 LYS 111 HD3 LYS 111 -12.724 -10.273 5.209 692 HE2 LYS 111 HE2 LYS 111 -12.585 -12.007 6.702 693 HE3 LYS 111 HE3 LYS 111 -10.840 -11.842 6.894 694 HZ1 LYS 111 HZ3 LYS 111 -12.238 -11.157 8.851 695 HZ2 LYS 111 HZ1 LYS 111 -12.755 -9.827 7.934 696 HZ3 LYS 111 HZ2 LYS 111 -11.110 -10.006 8.322 697 H LEU 112 HN LEU 112 -13.008 -12.613 1.825 698 HA LEU 112 HA LEU 112 -14.463 -13.826 0.580 699 HG LEU 112 HG LEU 112 -14.147 -15.946 -1.507 700 HB2 LEU 112 HB2 LEU 112 -12.673 -13.344 -1.104 701 HB3 LEU 112 HB3 LEU 112 -11.994 -14.920 -0.761 702 HD11 LEU 112 HD11 LEU 112 -15.640 -14.078 -1.160 703 HD12 LEU 112 HD12 LEU 112 -14.765 -13.124 -2.360 704 HD13 LEU 112 HD13 LEU 112 -15.666 -14.555 -2.858 705 HD21 LEU 112 HD23 LEU 112 -12.649 -14.234 -3.475 706 HD22 LEU 112 HD21 LEU 112 -12.270 -15.890 -3.007 707 HD23 LEU 112 HD22 LEU 112 -13.741 -15.546 -3.914 708 H ASN 113 HN ASN 113 -12.226 -16.409 -0.020 709 HA ASN 113 HA ASN 113 -13.441 -18.017 2.126 710 HB2 ASN 113 HB2 ASN 113 -12.825 -18.956 -0.691 711 HB3 ASN 113 HB3 ASN 113 -13.312 -20.007 0.633 712 HD21 ASN 113 HD21 ASN 113 -15.440 -19.966 1.357 713 HD22 ASN 113 HD22 ASN 113 -16.713 -19.244 0.427 714 H LYS 114 HN LYS 114 -10.777 -16.625 1.012 715 HA LYS 114 HA LYS 114 -8.551 -16.830 1.096 716 HB2 LYS 114 HB2 LYS 114 -9.124 -18.745 3.361 717 HB3 LYS 114 HB3 LYS 114 -7.561 -18.039 2.997 718 HG2 LYS 114 HG2 LYS 114 -10.027 -16.643 4.001 719 HG3 LYS 114 HG3 LYS 114 -8.467 -16.812 4.801 720 HD2 LYS 114 HD2 LYS 114 -8.997 -15.209 2.297 721 HD3 LYS 114 HD3 LYS 114 -8.791 -14.543 3.912 722 HE2 LYS 114 HE2 LYS 114 -6.506 -15.427 3.966 723 HE3 LYS 114 HE3 LYS 114 -6.722 -16.073 2.343 724 HZ1 LYS 114 HZ3 LYS 114 -7.122 -13.793 1.560 725 HZ2 LYS 114 HZ1 LYS 114 -5.580 -13.977 2.238 726 HZ3 LYS 114 HZ2 LYS 114 -6.805 -13.203 3.116 727 HA PRO 115 HA PRO 115 -7.993 -20.613 -1.299 728 HB2 PRO 115 HB2 PRO 115 -6.916 -19.398 -3.455 729 HB3 PRO 115 HB3 PRO 115 -8.659 -19.494 -3.184 730 HG2 PRO 115 HG2 PRO 115 -6.858 -17.182 -2.993 731 HG3 PRO 115 HG3 PRO 115 -8.615 -17.226 -3.188 732 HD2 PRO 115 HD2 PRO 115 -7.089 -16.776 -0.785 733 HD3 PRO 115 HD3 PRO 115 -8.849 -16.761 -0.989 734 HA PRO 116 HA PRO 116 -3.619 -20.883 -0.271 735 HB2 PRO 116 HB2 PRO 116 -3.780 -23.630 -1.205 736 HB3 PRO 116 HB3 PRO 116 -3.564 -23.036 0.441 737 HG2 PRO 116 HG2 PRO 116 -5.831 -24.287 -0.404 738 HG3 PRO 116 HG3 PRO 116 -5.816 -23.069 0.889 739 HD2 PRO 116 HD2 PRO 116 -6.560 -22.756 -1.997 740 HD3 PRO 116 HD3 PRO 116 -7.354 -22.095 -0.553 741 H GLU 117 HN GLU 117 -4.567 -22.926 -3.042 742 HA GLU 117 HA GLU 117 -2.499 -21.596 -4.654 743 HB2 GLU 117 HB2 GLU 117 -2.973 -24.553 -4.313 744 HB3 GLU 117 HB3 GLU 117 -2.041 -23.889 -5.643 745 HG2 GLU 117 HG2 GLU 117 -1.337 -23.325 -2.785 746 HG3 GLU 117 HG3 GLU 117 -0.767 -24.764 -3.631 747 H THR 118 HN THR 118 -2.761 -22.930 -6.987 748 HA THR 118 HA THR 118 -5.508 -22.337 -7.809 749 HB THR 118 HB THR 118 -3.365 -23.090 -9.760 750 HG1 THR 118 HG1 THR 118 -2.266 -21.594 -8.511 751 HG21 THR 118 HG23 THR 118 -4.515 -21.482 -11.168 752 HG22 THR 118 HG21 THR 118 -5.516 -20.965 -9.810 753 HG23 THR 118 HG22 THR 118 -5.695 -22.592 -10.470 754 H LEU 119 HN LEU 119 -5.451 -24.057 -10.138 755 HA LEU 119 HA LEU 119 -5.334 -26.724 -8.903 756 HG LEU 119 HG LEU 119 -8.995 -26.665 -9.505 757 HB2 LEU 119 HB2 LEU 119 -7.211 -25.750 -11.062 758 HB3 LEU 119 HB3 LEU 119 -7.059 -27.422 -10.571 759 HD11 LEU 119 HD11 LEU 119 -6.772 -26.403 -7.496 760 HD12 LEU 119 HD12 LEU 119 -8.478 -26.628 -7.111 761 HD13 LEU 119 HD13 LEU 119 -7.594 -27.887 -7.973 762 HD21 LEU 119 HD23 LEU 119 -7.484 -24.176 -8.744 763 HD22 LEU 119 HD21 LEU 119 -8.804 -24.311 -9.908 764 HD23 LEU 119 HD22 LEU 119 -9.111 -24.579 -8.192 765 H ILE 120 HN ILE 120 -5.697 -25.631 -12.275 766 HA ILE 120 HA ILE 120 -3.128 -26.944 -12.851 767 HB ILE 120 HB ILE 120 -4.065 -27.486 -15.136 768 HG12 ILE 120 HG12 ILE 120 -6.706 -26.973 -13.731 769 HG13 ILE 120 HG13 ILE 120 -6.036 -25.994 -15.033 770 HG21 ILE 120 HG21 ILE 120 -5.320 -28.850 -12.755 771 HG22 ILE 120 HG22 ILE 120 -5.131 -29.537 -14.370 772 HG23 ILE 120 HG23 ILE 120 -3.706 -29.161 -13.400 773 HD11 ILE 120 HD13 ILE 120 -7.759 -27.494 -15.848 774 HD12 ILE 120 HD11 ILE 120 -6.191 -27.905 -16.545 775 HD13 ILE 120 HD12 ILE 120 -6.858 -28.881 -15.236 776 H THR 121 HN THR 121 -1.830 -25.228 -13.033 777 HA THR 121 HA THR 121 -2.622 -22.969 -14.684 778 HB THR 121 HB THR 121 -0.198 -22.233 -13.996 779 HG1 THR 121 HG1 THR 121 0.128 -23.220 -11.772 780 HG21 THR 121 HG23 THR 121 -2.541 -22.359 -12.095 781 HG22 THR 121 HG21 THR 121 -2.164 -21.075 -13.239 782 HG23 THR 121 HG22 THR 121 -1.118 -21.348 -11.848 783 H THR 122 HN THR 122 0.089 -25.265 -14.499 784 HA THR 122 HA THR 122 1.028 -24.468 -17.109 785 HB THR 122 HB THR 122 2.700 -26.421 -16.543 786 HG1 THR 122 HG1 THR 122 2.632 -25.922 -13.946 787 HG21 THR 122 HG23 THR 122 2.664 -23.790 -15.073 788 HG22 THR 122 HG21 THR 122 3.288 -24.064 -16.699 789 HG23 THR 122 HG22 THR 122 4.081 -24.813 -15.313 790 H ILE 123 HN ILE 123 -0.693 -25.186 -18.449 791 HA ILE 123 HA ILE 123 -1.124 -28.073 -18.655 792 HB ILE 123 HB ILE 123 -2.366 -25.788 -20.207 793 HG12 ILE 123 HG12 ILE 123 -3.516 -27.520 -18.009 794 HG13 ILE 123 HG13 ILE 123 -2.990 -25.852 -17.815 795 HG21 ILE 123 HG21 ILE 123 -2.348 -27.805 -21.547 796 HG22 ILE 123 HG22 ILE 123 -3.038 -28.728 -20.212 797 HG23 ILE 123 HG23 ILE 123 -3.990 -27.467 -20.994 798 HD11 ILE 123 HD13 ILE 123 -5.239 -26.808 -19.573 799 HD12 ILE 123 HD11 ILE 123 -5.400 -25.987 -18.016 800 HD13 ILE 123 HD12 ILE 123 -4.708 -25.134 -19.398 801 H ASP 124 HN ASP 124 0.517 -25.465 -20.192 802 HA ASP 124 HA ASP 124 0.758 -26.463 -22.792 803 HB2 ASP 124 HB2 ASP 124 2.694 -24.844 -22.932 804 HB3 ASP 124 HB3 ASP 124 1.157 -24.158 -22.420 805 H SER 125 HN SER 125 3.236 -26.509 -20.192 806 HA SER 125 HA SER 125 4.193 -29.045 -21.287 807 HG SER 125 HG SER 125 4.670 -27.468 -22.948 808 HB2 SER 125 HB2 SER 125 5.957 -26.634 -20.814 809 HB3 SER 125 HB3 SER 125 6.554 -28.261 -21.155 810 H SER 126 HN SER 126 2.892 -27.770 -18.794 811 HA SER 126 HA SER 126 2.678 -28.388 -16.643 812 HG SER 126 HG SER 126 2.007 -30.117 -17.967 813 HB2 SER 126 HB2 SER 126 4.605 -30.578 -17.447 814 HB3 SER 126 HB3 SER 126 3.685 -30.541 -15.943 815 H SER 127 HN SER 127 5.079 -29.761 -15.251 816 HA SER 127 HA SER 127 5.546 -27.653 -13.565 817 HG SER 127 HG SER 127 7.753 -30.350 -14.744 818 HB2 SER 127 HB2 SER 127 7.561 -29.138 -12.829 819 HB3 SER 127 HB3 SER 127 5.916 -29.741 -12.650 820 H SER 128 HN SER 128 6.619 -25.869 -13.703 821 HA SER 128 HA SER 128 9.404 -25.836 -14.187 822 HG SER 128 HG SER 128 10.311 -24.090 -15.403 823 HB2 SER 128 HB2 SER 128 8.386 -25.684 -16.558 824 HB3 SER 128 HB3 SER 128 7.806 -24.092 -16.076 825 HHA HEM 129 HHA HEM 129 -6.362 17.430 -6.158 826 HHB HEM 129 HHB HEM 129 -2.048 12.624 -6.065 827 HHC HEM 129 HHC HEM 129 -4.993 10.127 -0.961 828 HHD HEM 129 HHD HEM 129 -9.500 14.747 -1.213 829 HAB HEM 129 HAB HEM 129 -2.277 9.431 -0.991 830 HAC HEM 129 HAC HEM 129 -10.365 13.022 0.064 831 HMA1 HEM 129 HMA1 HEM 129 -2.088 15.549 -8.642 832 HMA2 HEM 129 HMA2 HEM 129 -1.163 14.851 -7.310 833 HMA3 HEM 129 HMA3 HEM 129 -2.136 13.815 -8.360 834 HAA1 HEM 129 HAA1 HEM 129 -3.697 17.909 -7.870 835 HAA2 HEM 129 HAA2 HEM 129 -3.620 16.624 -8.629 836 HBA1 HEM 129 HBA1 HEM 129 -5.376 17.980 -9.643 837 HBA2 HEM 129 HBA2 HEM 129 -6.320 16.692 -8.866 838 HMB1 HEM 129 HMB1 HEM 129 -0.119 11.073 -3.923 839 HMB2 HEM 129 HMB2 HEM 129 -0.980 10.065 -5.261 840 HMB3 HEM 129 HMB3 HEM 129 -0.965 9.853 -3.750 841 HBB1 HEM 129 HBB1 HEM 129 -2.911 7.919 -3.559 842 HBB2 HEM 129 HBB2 HEM 129 -2.498 7.222 -1.871 843 HMC1 HEM 129 HMC1 HEM 129 -7.855 9.577 0.509 844 HMC2 HEM 129 HMC2 HEM 129 -6.121 9.904 0.650 845 HMC3 HEM 129 HMC3 HEM 129 -7.314 10.715 1.725 846 HBC1 HEM 129 HBC1 HEM 129 -10.625 11.992 2.180 847 HBC2 HEM 129 HBC2 HEM 129 -8.845 11.486 2.224 848 HMD1 HEM 129 HMD1 HEM 129 -10.372 16.762 -1.463 849 HMD2 HEM 129 HMD2 HEM 129 -10.688 17.974 -2.854 850 HMD3 HEM 129 HMD3 HEM 129 -9.438 17.823 -2.015 851 HAD1 HEM 129 HAD1 HEM 129 -8.887 19.079 -4.990 852 HAD2 HEM 129 HAD2 HEM 129 -7.964 18.192 -5.739 853 HBD1 HEM 129 HBD1 HEM 129 -8.932 16.869 -7.118 854 HBD2 HEM 129 HBD2 HEM 129 -9.247 18.603 -7.383 Start of MODEL 19 1 HA MET 21 HA MET 21 0.878 -23.252 5.234 2 H1 MET 21 1H MET 21 3.409 -24.045 4.021 3 HB2 MET 21 HB2 MET 21 2.862 -21.713 3.563 4 HB3 MET 21 HB3 MET 21 1.294 -21.059 4.013 5 HG2 MET 21 HG2 MET 21 3.491 -21.904 5.892 6 HG3 MET 21 HG3 MET 21 3.005 -20.252 5.513 7 HE1 MET 21 HE3 MET 21 0.623 -19.216 6.207 8 HE2 MET 21 HE1 MET 21 -0.136 -20.566 5.362 9 HE3 MET 21 HE2 MET 21 -0.632 -20.163 7.006 10 H ALA 22 HN ALA 22 -0.790 -22.257 3.911 11 HA ALA 22 HA ALA 22 -1.052 -23.582 1.296 12 HB1 ALA 22 HB3 ALA 22 -2.612 -24.522 2.938 13 HB2 ALA 22 HB1 ALA 22 -3.256 -22.911 3.254 14 HB3 ALA 22 HB2 ALA 22 -3.471 -23.653 1.668 15 H GLU 23 HN GLU 23 -0.041 -21.714 0.378 16 HA GLU 23 HA GLU 23 -1.239 -19.132 0.909 17 HB2 GLU 23 HB2 GLU 23 1.149 -19.793 -0.813 18 HB3 GLU 23 HB3 GLU 23 0.686 -18.206 -0.207 19 HG2 GLU 23 HG2 GLU 23 1.539 -20.555 1.473 20 HG3 GLU 23 HG3 GLU 23 2.517 -19.140 1.089 21 H GLN 24 HN GLN 24 -2.349 -17.916 -0.504 22 HA GLN 24 HA GLN 24 -3.767 -19.289 -2.510 23 HB2 GLN 24 HB2 GLN 24 -4.498 -17.276 -1.099 24 HB3 GLN 24 HB3 GLN 24 -3.630 -16.290 -2.272 25 HG2 GLN 24 HG2 GLN 24 -5.018 -17.283 -4.066 26 HG3 GLN 24 HG3 GLN 24 -5.934 -18.145 -2.834 27 HE21 GLN 24 HE21 GLN 24 -4.739 -14.880 -2.470 28 HE22 GLN 24 HE22 GLN 24 -6.283 -14.102 -2.504 29 H SER 25 HN SER 25 -1.362 -16.681 -2.757 30 HA SER 25 HA SER 25 -1.486 -16.919 -5.670 31 HG SER 25 HG SER 25 0.419 -14.694 -3.486 32 HB2 SER 25 HB2 SER 25 -0.431 -14.620 -5.594 33 HB3 SER 25 HB3 SER 25 -2.047 -14.732 -4.899 34 H ASP 26 HN ASP 26 0.761 -15.696 -6.433 35 HA ASP 26 HA ASP 26 2.503 -17.851 -6.671 36 HB2 ASP 26 HB2 ASP 26 4.049 -16.118 -7.716 37 HB3 ASP 26 HB3 ASP 26 2.448 -16.288 -8.431 38 H GLU 27 HN GLU 27 3.677 -14.711 -5.402 39 HA GLU 27 HA GLU 27 5.110 -16.205 -3.321 40 HB2 GLU 27 HB2 GLU 27 6.649 -15.919 -5.213 41 HB3 GLU 27 HB3 GLU 27 6.343 -14.191 -5.220 42 HG2 GLU 27 HG2 GLU 27 8.487 -14.698 -4.223 43 HG3 GLU 27 HG3 GLU 27 7.398 -13.981 -3.039 44 H ALA 28 HN ALA 28 5.982 -14.779 -1.621 45 HA ALA 28 HA ALA 28 3.996 -13.164 -0.530 46 HB1 ALA 28 HB3 ALA 28 5.820 -14.293 0.712 47 HB2 ALA 28 HB1 ALA 28 6.929 -13.057 0.120 48 HB3 ALA 28 HB2 ALA 28 5.587 -12.606 1.172 49 H VAL 29 HN VAL 29 3.274 -11.328 -1.324 50 HA VAL 29 HA VAL 29 5.104 -9.314 -2.348 51 HB VAL 29 HB VAL 29 2.455 -9.888 -2.910 52 HG11 VAL 29 HG11 VAL 29 1.159 -7.917 -2.267 53 HG12 VAL 29 HG12 VAL 29 1.643 -8.873 -0.866 54 HG13 VAL 29 HG13 VAL 29 2.497 -7.378 -1.253 55 HG21 VAL 29 HG23 VAL 29 3.977 -7.334 -3.404 56 HG22 VAL 29 HG21 VAL 29 4.009 -8.788 -4.400 57 HG23 VAL 29 HG22 VAL 29 2.529 -7.836 -4.277 58 H LYS 30 HN LYS 30 5.220 -7.184 -1.236 59 HA LYS 30 HA LYS 30 5.541 -7.662 1.561 60 HB2 LYS 30 HB2 LYS 30 5.923 -5.099 -0.003 61 HB3 LYS 30 HB3 LYS 30 6.388 -5.344 1.680 62 HG2 LYS 30 HG2 LYS 30 7.909 -7.103 1.033 63 HG3 LYS 30 HG3 LYS 30 7.415 -6.930 -0.648 64 HD2 LYS 30 HD2 LYS 30 8.389 -4.728 -0.762 65 HD3 LYS 30 HD3 LYS 30 8.729 -4.751 0.970 66 HE2 LYS 30 HE2 LYS 30 10.700 -5.248 -0.494 67 HE3 LYS 30 HE3 LYS 30 10.342 -6.484 0.713 68 HZ1 LYS 30 HZ3 LYS 30 9.506 -6.608 -2.139 69 HZ2 LYS 30 HZ1 LYS 30 9.290 -7.822 -0.976 70 HZ3 LYS 30 HZ2 LYS 30 10.854 -7.413 -1.494 71 H TYR 31 HN TYR 31 4.186 -7.347 3.132 72 HA TYR 31 HA TYR 31 1.649 -6.042 2.441 73 HD1 TYR 31 HD2 TYR 31 0.128 -7.740 1.466 74 HD2 TYR 31 HD1 TYR 31 2.591 -10.244 3.849 75 HE1 TYR 31 HE2 TYR 31 -0.125 -9.548 -0.178 76 HE2 TYR 31 HE1 TYR 31 2.353 -12.056 2.211 77 HH TYR 31 HH TYR 31 0.787 -12.748 0.441 78 HB2 TYR 31 HB2 TYR 31 2.165 -8.107 4.579 79 HB3 TYR 31 HB3 TYR 31 0.608 -7.440 4.121 80 H TYR 32 HN TYR 32 0.456 -5.148 4.310 81 HA TYR 32 HA TYR 32 2.001 -4.527 6.715 82 HD1 TYR 32 HD1 TYR 32 3.165 -1.885 7.425 83 HD2 TYR 32 HD2 TYR 32 2.145 -2.407 3.333 84 HE1 TYR 32 HE1 TYR 32 5.346 -0.971 6.775 85 HE2 TYR 32 HE2 TYR 32 4.334 -1.487 2.666 86 HH TYR 32 HH TYR 32 6.857 -0.940 4.961 87 HB2 TYR 32 HB2 TYR 32 0.446 -2.544 5.041 88 HB3 TYR 32 HB3 TYR 32 0.827 -2.252 6.734 89 H THR 33 HN THR 33 0.571 -4.398 8.618 90 HA THR 33 HA THR 33 -1.830 -5.961 8.158 91 HB THR 33 HB THR 33 -2.146 -5.842 10.635 92 HG1 THR 33 HG1 THR 33 0.224 -4.283 10.432 93 HG21 THR 33 HG23 THR 33 -0.921 -7.712 9.645 94 HG22 THR 33 HG21 THR 33 -0.282 -7.288 11.230 95 HG23 THR 33 HG22 THR 33 0.585 -6.802 9.774 96 H LEU 34 HN LEU 34 -3.946 -5.301 8.467 97 HA LEU 34 HA LEU 34 -4.672 -2.642 7.946 98 HG LEU 34 HG LEU 34 -7.333 -2.507 9.514 99 HB2 LEU 34 HB2 LEU 34 -6.166 -4.603 7.680 100 HB3 LEU 34 HB3 LEU 34 -6.263 -4.738 9.425 101 HD11 LEU 34 HD11 LEU 34 -7.277 -2.740 6.506 102 HD12 LEU 34 HD12 LEU 34 -8.205 -1.549 7.417 103 HD13 LEU 34 HD13 LEU 34 -6.442 -1.531 7.484 104 HD21 LEU 34 HD23 LEU 34 -8.692 -4.507 7.716 105 HD22 LEU 34 HD21 LEU 34 -8.641 -4.577 9.478 106 HD23 LEU 34 HD22 LEU 34 -9.488 -3.257 8.670 107 H GLU 35 HN GLU 35 -4.281 -4.454 10.849 108 HA GLU 35 HA GLU 35 -5.461 -2.964 12.803 109 HB2 GLU 35 HB2 GLU 35 -2.896 -4.558 12.990 110 HB3 GLU 35 HB3 GLU 35 -3.917 -4.098 14.345 111 HG2 GLU 35 HG2 GLU 35 -4.907 -5.778 12.064 112 HG3 GLU 35 HG3 GLU 35 -4.156 -6.456 13.506 113 H GLU 36 HN GLU 36 -2.256 -2.581 11.420 114 HA GLU 36 HA GLU 36 -1.385 -0.803 13.504 115 HB2 GLU 36 HB2 GLU 36 0.748 -0.868 12.388 116 HB3 GLU 36 HB3 GLU 36 0.081 -2.494 12.435 117 HG2 GLU 36 HG2 GLU 36 -0.628 -2.279 10.108 118 HG3 GLU 36 HG3 GLU 36 0.044 -0.649 10.055 119 H ILE 37 HN ILE 37 -2.742 -0.543 10.372 120 HA ILE 37 HA ILE 37 -1.661 1.966 9.609 121 HB ILE 37 HB ILE 37 -4.145 0.560 8.604 122 HG12 ILE 37 HG12 ILE 37 -1.346 0.595 7.461 123 HG13 ILE 37 HG13 ILE 37 -2.021 -0.734 8.397 124 HG21 ILE 37 HG21 ILE 37 -4.160 2.923 8.015 125 HG22 ILE 37 HG22 ILE 37 -2.532 2.780 7.352 126 HG23 ILE 37 HG23 ILE 37 -3.873 1.925 6.590 127 HD11 ILE 37 HD13 ILE 37 -3.759 -1.027 6.686 128 HD12 ILE 37 HD11 ILE 37 -3.027 0.267 5.739 129 HD13 ILE 37 HD12 ILE 37 -2.133 -1.225 6.033 130 H GLN 38 HN GLN 38 -4.390 0.980 11.510 131 HA GLN 38 HA GLN 38 -5.822 3.395 11.582 132 HB2 GLN 38 HB2 GLN 38 -5.549 1.041 13.419 133 HB3 GLN 38 HB3 GLN 38 -6.421 2.465 13.968 134 HG2 GLN 38 HG2 GLN 38 -7.074 1.068 11.393 135 HG3 GLN 38 HG3 GLN 38 -7.789 0.605 12.937 136 HE21 GLN 38 HE21 GLN 38 -7.516 3.212 10.578 137 HE22 GLN 38 HE22 GLN 38 -8.933 4.065 11.100 138 H LYS 39 HN LYS 39 -3.098 2.185 13.366 139 HA LYS 39 HA LYS 39 -3.014 4.314 15.294 140 HB2 LYS 39 HB2 LYS 39 -2.278 1.845 15.520 141 HB3 LYS 39 HB3 LYS 39 -0.812 2.347 14.694 142 HG2 LYS 39 HG2 LYS 39 -0.181 3.766 16.464 143 HG3 LYS 39 HG3 LYS 39 -1.786 3.674 17.199 144 HD2 LYS 39 HD2 LYS 39 -0.190 2.277 18.412 145 HD3 LYS 39 HD3 LYS 39 -1.448 1.296 17.654 146 HE2 LYS 39 HE2 LYS 39 0.172 0.970 15.728 147 HE3 LYS 39 HE3 LYS 39 1.400 1.679 16.777 148 HZ1 LYS 39 HZ3 LYS 39 0.832 -0.074 18.422 149 HZ2 LYS 39 HZ1 LYS 39 1.523 -0.659 16.987 150 HZ3 LYS 39 HZ2 LYS 39 -0.143 -0.801 17.243 151 H HIS 40 HN HIS 40 -2.165 4.040 12.116 152 HA HIS 40 HA HIS 40 0.201 5.748 12.273 153 HD1 HIS 40 HD1 HIS 40 0.408 1.718 10.111 154 HD2 HIS 40 HD2 HIS 40 2.311 4.621 12.375 155 HE1 HIS 40 HE1 HIS 40 2.359 0.560 11.184 156 HE2 HIS 40 HE2 HIS 40 3.660 2.426 12.263 157 HB2 HIS 40 HB2 HIS 40 -0.891 3.869 10.183 158 HB3 HIS 40 HB3 HIS 40 0.345 5.050 9.799 159 H ASN 41 HN ASN 41 -2.717 6.516 12.496 160 HA ASN 41 HA ASN 41 -3.504 7.767 10.030 161 HB2 ASN 41 HB2 ASN 41 -5.452 8.534 11.309 162 HB3 ASN 41 HB3 ASN 41 -5.155 6.822 11.572 163 HD21 ASN 41 HD21 ASN 41 -6.242 6.742 13.513 164 HD22 ASN 41 HD22 ASN 41 -5.641 7.474 14.965 165 H HIS 42 HN HIS 42 -0.989 8.698 11.599 166 HA HIS 42 HA HIS 42 -1.756 11.501 11.968 167 HD1 HIS 42 HD1 HIS 42 1.688 9.884 13.062 168 HD2 HIS 42 HD2 HIS 42 -1.010 8.624 15.955 169 HE1 HIS 42 HE1 HIS 42 2.903 8.130 14.387 170 HE2 HIS 42 HE2 HIS 42 1.335 7.573 16.275 171 HB2 HIS 42 HB2 HIS 42 -0.626 11.617 14.132 172 HB3 HIS 42 HB3 HIS 42 -1.932 10.445 14.169 173 H SER 43 HN SER 43 -0.032 12.968 12.156 174 HA SER 43 HA SER 43 1.677 13.566 10.406 175 HG SER 43 HG SER 43 2.439 14.067 14.358 176 HB2 SER 43 HB2 SER 43 3.347 14.279 12.247 177 HB3 SER 43 HB3 SER 43 1.692 14.890 12.318 178 H LYS 44 HN LYS 44 3.166 11.573 12.928 179 HA LYS 44 HA LYS 44 5.646 11.253 11.828 180 HB2 LYS 44 HB2 LYS 44 4.134 9.280 13.526 181 HB3 LYS 44 HB3 LYS 44 5.873 9.282 13.285 182 HG2 LYS 44 HG2 LYS 44 5.955 11.547 14.297 183 HG3 LYS 44 HG3 LYS 44 4.231 11.397 14.652 184 HD2 LYS 44 HD2 LYS 44 5.403 10.765 16.624 185 HD3 LYS 44 HD3 LYS 44 4.774 9.283 15.897 186 HE2 LYS 44 HE2 LYS 44 6.968 8.730 16.469 187 HE3 LYS 44 HE3 LYS 44 7.059 9.114 14.750 188 HZ1 LYS 44 HZ3 LYS 44 7.930 10.782 17.034 189 HZ2 LYS 44 HZ1 LYS 44 7.715 11.418 15.475 190 HZ3 LYS 44 HZ2 LYS 44 8.855 10.198 15.739 191 H SER 45 HN SER 45 2.795 9.586 10.772 192 HA SER 45 HA SER 45 4.267 7.815 9.025 193 HG SER 45 HG SER 45 4.414 5.519 9.339 194 HB2 SER 45 HB2 SER 45 4.394 6.775 11.340 195 HB3 SER 45 HB3 SER 45 2.640 6.610 11.279 196 H THR 46 HN THR 46 2.338 9.802 8.624 197 HA THR 46 HA THR 46 -0.347 9.023 8.735 198 HB THR 46 HB THR 46 0.681 10.977 6.687 199 HG1 THR 46 HG1 THR 46 0.967 12.479 8.254 200 HG21 THR 46 HG23 THR 46 -1.718 10.531 6.684 201 HG22 THR 46 HG21 THR 46 -1.404 12.166 7.259 202 HG23 THR 46 HG22 THR 46 -1.805 10.889 8.409 203 H TRP 47 HN TRP 47 -0.480 6.934 7.870 204 HA TRP 47 HA TRP 47 -0.132 6.649 4.987 205 HD1 TRP 47 HD1 TRP 47 2.050 6.361 5.663 206 HE1 TRP 47 HE1 TRP 47 4.197 5.086 6.291 207 HE3 TRP 47 HE3 TRP 47 -0.065 2.032 7.331 208 HZ2 TRP 47 HZ2 TRP 47 4.892 2.545 7.337 209 HZ3 TRP 47 HZ3 TRP 47 1.407 0.219 8.105 210 HH2 TRP 47 HH2 TRP 47 3.833 0.479 8.105 211 HB2 TRP 47 HB2 TRP 47 -0.912 4.611 7.085 212 HB3 TRP 47 HB3 TRP 47 -0.765 4.268 5.369 213 H LEU 48 HN LEU 48 -1.887 5.409 3.842 214 HA LEU 48 HA LEU 48 -4.525 5.514 4.955 215 HG LEU 48 HG LEU 48 -3.905 6.336 1.388 216 HB2 LEU 48 HB2 LEU 48 -5.581 6.823 3.247 217 HB3 LEU 48 HB3 LEU 48 -4.325 7.788 3.993 218 HD11 LEU 48 HD11 LEU 48 -4.367 8.474 0.280 219 HD12 LEU 48 HD12 LEU 48 -5.792 7.833 1.100 220 HD13 LEU 48 HD13 LEU 48 -4.877 9.155 1.825 221 HD21 LEU 48 HD23 LEU 48 -1.899 7.072 2.614 222 HD22 LEU 48 HD21 LEU 48 -2.108 7.916 1.082 223 HD23 LEU 48 HD22 LEU 48 -2.513 8.728 2.593 224 H ILE 49 HN ILE 49 -6.106 4.743 3.159 225 HA ILE 49 HA ILE 49 -4.786 2.841 1.342 226 HB ILE 49 HB ILE 49 -7.274 2.247 2.982 227 HG12 ILE 49 HG12 ILE 49 -4.487 1.083 3.272 228 HG13 ILE 49 HG13 ILE 49 -5.219 2.246 4.369 229 HG21 ILE 49 HG21 ILE 49 -7.264 1.178 0.792 230 HG22 ILE 49 HG22 ILE 49 -5.678 0.484 1.129 231 HG23 ILE 49 HG23 ILE 49 -7.077 -0.011 2.081 232 HD11 ILE 49 HD13 ILE 49 -5.284 -0.045 5.229 233 HD12 ILE 49 HD11 ILE 49 -6.895 0.640 5.015 234 HD13 ILE 49 HD12 ILE 49 -6.269 -0.524 3.848 235 H LEU 50 HN LEU 50 -5.954 2.554 -0.652 236 HA LEU 50 HA LEU 50 -8.338 4.254 -0.931 237 HG LEU 50 HG LEU 50 -5.864 5.834 -1.261 238 HB2 LEU 50 HB2 LEU 50 -6.043 3.938 -2.837 239 HB3 LEU 50 HB3 LEU 50 -7.608 4.533 -3.358 240 HD11 LEU 50 HD11 LEU 50 -6.478 6.674 -4.088 241 HD12 LEU 50 HD12 LEU 50 -5.504 7.565 -2.918 242 HD13 LEU 50 HD13 LEU 50 -4.947 6.005 -3.527 243 HD21 LEU 50 HD23 LEU 50 -8.243 6.188 -0.855 244 HD22 LEU 50 HD21 LEU 50 -7.475 7.676 -1.411 245 HD23 LEU 50 HD22 LEU 50 -8.459 6.721 -2.522 246 H HIS 51 HN HIS 51 -6.792 1.284 -1.597 247 HA HIS 51 HA HIS 51 -9.073 -0.180 -2.047 248 HD1 HIS 51 HD1 HIS 51 -7.232 -0.826 -6.244 249 HD2 HIS 51 HD2 HIS 51 -7.228 2.919 -4.443 250 HE1 HIS 51 HE1 HIS 51 -5.535 0.531 -7.509 251 HE2 HIS 51 HE2 HIS 51 -5.647 2.831 -6.485 252 HB2 HIS 51 HB2 HIS 51 -8.940 -0.657 -4.499 253 HB3 HIS 51 HB3 HIS 51 -9.471 0.970 -4.110 254 H HIS 52 HN HIS 52 -7.692 -1.388 -0.577 255 HA HIS 52 HA HIS 52 -6.403 -3.206 -0.094 256 HD1 HIS 52 HD1 HIS 52 -7.484 -6.420 -0.906 257 HD2 HIS 52 HD2 HIS 52 -9.468 -3.133 -2.480 258 HE1 HIS 52 HE1 HIS 52 -9.927 -7.008 -0.829 259 HE2 HIS 52 HE2 HIS 52 -11.093 -4.888 -1.501 260 HB2 HIS 52 HB2 HIS 52 -6.604 -3.628 -3.075 261 HB3 HIS 52 HB3 HIS 52 -5.911 -4.781 -1.953 262 H LYS 53 HN LYS 53 -5.156 -0.593 -0.884 263 HA LYS 53 HA LYS 53 -2.445 -1.652 -0.787 264 HB2 LYS 53 HB2 LYS 53 -3.287 0.494 -2.746 265 HB3 LYS 53 HB3 LYS 53 -1.635 0.333 -2.181 266 HG2 LYS 53 HG2 LYS 53 -1.461 -0.875 -4.082 267 HG3 LYS 53 HG3 LYS 53 -2.004 -2.161 -3.002 268 HD2 LYS 53 HD2 LYS 53 -4.278 -1.892 -3.744 269 HD3 LYS 53 HD3 LYS 53 -3.826 -0.498 -4.727 270 HE2 LYS 53 HE2 LYS 53 -4.094 -2.578 -6.045 271 HE3 LYS 53 HE3 LYS 53 -2.481 -1.877 -6.167 272 HZ1 LYS 53 HZ3 LYS 53 -3.262 -4.170 -4.459 273 HZ2 LYS 53 HZ1 LYS 53 -1.712 -3.477 -4.509 274 HZ3 LYS 53 HZ2 LYS 53 -2.347 -4.245 -5.881 275 H VAL 54 HN VAL 54 -1.144 -0.539 0.567 276 HA VAL 54 HA VAL 54 -2.382 1.675 2.044 277 HB VAL 54 HB VAL 54 -1.495 -0.233 3.325 278 HG11 VAL 54 HG11 VAL 54 0.960 -0.533 3.536 279 HG12 VAL 54 HG12 VAL 54 0.281 -1.010 1.981 280 HG13 VAL 54 HG13 VAL 54 1.151 0.516 2.129 281 HG21 VAL 54 HG23 VAL 54 -0.249 1.010 4.984 282 HG22 VAL 54 HG21 VAL 54 0.092 2.284 3.811 283 HG23 VAL 54 HG22 VAL 54 -1.564 1.993 4.347 284 H TYR 55 HN TYR 55 -1.563 3.726 1.960 285 HA TYR 55 HA TYR 55 0.748 4.127 0.169 286 HD1 TYR 55 HD2 TYR 55 -2.829 3.621 -0.223 287 HD2 TYR 55 HD1 TYR 55 -0.261 5.963 -2.669 288 HE1 TYR 55 HE2 TYR 55 -3.822 2.604 -2.222 289 HE2 TYR 55 HE1 TYR 55 -1.260 4.957 -4.687 290 HH TYR 55 HH TYR 55 -2.454 2.918 -5.325 291 HB2 TYR 55 HB2 TYR 55 -1.698 5.863 0.541 292 HB3 TYR 55 HB3 TYR 55 -0.279 6.344 -0.378 293 H ASP 56 HN ASP 56 1.879 6.246 0.590 294 HA ASP 56 HA ASP 56 1.795 6.977 3.441 295 HB2 ASP 56 HB2 ASP 56 3.867 5.878 3.280 296 HB3 ASP 56 HB3 ASP 56 4.160 6.465 1.650 297 H LEU 57 HN LEU 57 1.644 9.186 3.838 298 HA LEU 57 HA LEU 57 2.311 10.913 1.538 299 HG LEU 57 HG LEU 57 -0.710 9.842 2.436 300 HB2 LEU 57 HB2 LEU 57 0.344 11.724 3.645 301 HB3 LEU 57 HB3 LEU 57 0.678 12.497 2.123 302 HD11 LEU 57 HD11 LEU 57 -1.778 12.567 1.684 303 HD12 LEU 57 HD12 LEU 57 -2.692 11.059 1.651 304 HD13 LEU 57 HD13 LEU 57 -2.105 11.699 3.185 305 HD21 LEU 57 HD23 LEU 57 -0.126 11.536 0.016 306 HD22 LEU 57 HD21 LEU 57 0.617 9.985 0.408 307 HD23 LEU 57 HD22 LEU 57 -1.105 10.067 0.029 308 H THR 58 HN THR 58 3.748 9.978 4.199 309 HA THR 58 HA THR 58 3.749 11.872 6.166 310 HB THR 58 HB THR 58 6.271 11.367 6.436 311 HG1 THR 58 HG1 THR 58 5.694 9.273 4.592 312 HG21 THR 58 HG23 THR 58 5.818 9.047 7.247 313 HG22 THR 58 HG21 THR 58 4.216 9.142 6.518 314 HG23 THR 58 HG22 THR 58 4.654 10.235 7.832 315 H LYS 59 HN LYS 59 5.808 11.962 3.334 316 HA LYS 59 HA LYS 59 6.905 14.566 3.935 317 HB2 LYS 59 HB2 LYS 59 8.218 14.120 1.875 318 HB3 LYS 59 HB3 LYS 59 8.295 12.788 3.024 319 HG2 LYS 59 HG2 LYS 59 6.395 11.734 1.682 320 HG3 LYS 59 HG3 LYS 59 6.774 12.928 0.442 321 HD2 LYS 59 HD2 LYS 59 7.928 10.823 0.012 322 HD3 LYS 59 HD3 LYS 59 9.071 12.119 0.368 323 HE2 LYS 59 HE2 LYS 59 9.730 10.085 1.510 324 HE3 LYS 59 HE3 LYS 59 9.261 11.320 2.675 325 HZ1 LYS 59 HZ3 LYS 59 7.444 9.148 1.771 326 HZ2 LYS 59 HZ1 LYS 59 7.196 10.226 3.052 327 HZ3 LYS 59 HZ2 LYS 59 8.401 9.051 3.158 328 H PHE 60 HN PHE 60 4.185 13.402 2.404 329 HA PHE 60 HA PHE 60 4.133 15.201 0.131 330 HD1 PHE 60 HD2 PHE 60 3.906 14.921 -1.779 331 HD2 PHE 60 HD1 PHE 60 0.358 12.868 -0.670 332 HE1 PHE 60 HE2 PHE 60 2.933 15.437 -3.972 333 HE2 PHE 60 HE1 PHE 60 -0.629 13.366 -2.860 334 HZ PHE 60 HZ PHE 60 0.729 14.630 -4.556 335 HB2 PHE 60 HB2 PHE 60 3.444 12.711 0.155 336 HB3 PHE 60 HB3 PHE 60 1.968 13.288 0.921 337 H LEU 61 HN LEU 61 3.114 15.255 3.288 338 HA LEU 61 HA LEU 61 0.480 16.084 3.297 339 HG LEU 61 HG LEU 61 2.259 14.377 5.116 340 HB2 LEU 61 HB2 LEU 61 2.711 16.806 5.193 341 HB3 LEU 61 HB3 LEU 61 1.013 17.105 5.517 342 HD11 LEU 61 HD11 LEU 61 1.795 14.057 7.508 343 HD12 LEU 61 HD12 LEU 61 2.946 15.362 7.232 344 HD13 LEU 61 HD13 LEU 61 1.267 15.734 7.625 345 HD21 LEU 61 HD23 LEU 61 0.105 13.508 5.837 346 HD22 LEU 61 HD21 LEU 61 -0.538 15.147 5.929 347 HD23 LEU 61 HD22 LEU 61 -0.069 14.469 4.369 348 H GLU 62 HN GLU 62 3.311 17.955 2.533 349 HA GLU 62 HA GLU 62 1.803 20.467 2.770 350 HB2 GLU 62 HB2 GLU 62 4.053 21.525 2.793 351 HB3 GLU 62 HB3 GLU 62 3.802 20.388 4.110 352 HG2 GLU 62 HG2 GLU 62 5.054 18.685 2.840 353 HG3 GLU 62 HG3 GLU 62 5.367 19.890 1.589 354 H GLU 63 HN GLU 63 2.519 18.269 0.508 355 HA GLU 63 HA GLU 63 3.061 20.196 -1.658 356 HB2 GLU 63 HB2 GLU 63 3.706 17.286 -1.285 357 HB3 GLU 63 HB3 GLU 63 3.692 18.002 -2.889 358 HG2 GLU 63 HG2 GLU 63 5.378 18.993 -0.599 359 HG3 GLU 63 HG3 GLU 63 5.933 17.873 -1.843 360 H HIS 64 HN HIS 64 0.857 17.876 -0.392 361 HA HIS 64 HA HIS 64 -0.778 17.912 -2.777 362 HD1 HIS 64 HD1 HIS 64 -3.648 16.685 0.171 363 HD2 HIS 64 HD2 HIS 64 -2.494 14.924 -3.471 364 HE1 HIS 64 HE1 HIS 64 -5.722 15.555 -0.800 365 HB2 HIS 64 HB3 HIS 64 -0.500 15.752 -1.711 366 HB3 HIS 64 HB2 HIS 64 -1.017 16.375 -0.176 367 HA PRO 65 HA PRO 65 -3.263 21.187 -1.047 368 HB2 PRO 65 HB2 PRO 65 -5.693 20.596 -2.212 369 HB3 PRO 65 HB3 PRO 65 -4.384 21.489 -2.996 370 HG2 PRO 65 HG2 PRO 65 -5.146 18.614 -3.257 371 HG3 PRO 65 HG3 PRO 65 -4.566 19.740 -4.499 372 HD2 PRO 65 HD2 PRO 65 -2.981 17.857 -3.380 373 HD3 PRO 65 HD3 PRO 65 -2.356 19.427 -3.924 374 H GLY 66 HN GLY 66 -6.033 21.002 -0.558 375 HA2 GLY 66 HA1 GLY 66 -7.621 20.080 0.859 376 HA3 GLY 66 HA2 GLY 66 -6.486 18.799 1.264 377 H GLY 67 HN GLY 67 -4.362 19.970 2.298 378 HA2 GLY 67 HA1 GLY 67 -3.676 21.859 3.663 379 HA3 GLY 67 HA2 GLY 67 -5.331 21.971 4.240 380 H GLU 68 HN GLU 68 -3.314 19.074 3.947 381 HA GLU 68 HA GLU 68 -2.440 17.617 5.472 382 HB2 GLU 68 HB2 GLU 68 -1.436 19.775 6.337 383 HB3 GLU 68 HB3 GLU 68 -2.740 19.829 7.506 384 HG2 GLU 68 HG2 GLU 68 -0.672 17.647 7.290 385 HG3 GLU 68 HG3 GLU 68 -0.648 18.975 8.436 386 H GLU 69 HN GLU 69 -4.632 19.536 7.439 387 HA GLU 69 HA GLU 69 -5.123 17.622 9.316 388 HB2 GLU 69 HB2 GLU 69 -5.636 20.116 9.323 389 HB3 GLU 69 HB3 GLU 69 -7.133 19.713 8.497 390 HG2 GLU 69 HG2 GLU 69 -7.945 18.509 10.348 391 HG3 GLU 69 HG3 GLU 69 -6.369 18.508 11.134 392 H VAL 70 HN VAL 70 -7.152 18.413 6.502 393 HA VAL 70 HA VAL 70 -9.168 16.519 7.227 394 HB VAL 70 HB VAL 70 -9.592 18.669 6.023 395 HG11 VAL 70 HG11 VAL 70 -8.425 17.179 3.678 396 HG12 VAL 70 HG12 VAL 70 -9.343 18.681 3.563 397 HG13 VAL 70 HG13 VAL 70 -7.804 18.655 4.422 398 HG21 VAL 70 HG23 VAL 70 -11.279 16.884 6.128 399 HG22 VAL 70 HG21 VAL 70 -11.388 17.829 4.643 400 HG23 VAL 70 HG22 VAL 70 -10.656 16.225 4.616 401 H LEU 71 HN LEU 71 -6.171 16.132 5.764 402 HA LEU 71 HA LEU 71 -6.818 13.970 3.991 403 HG LEU 71 HG LEU 71 -3.422 15.063 2.961 404 HB2 LEU 71 HB2 LEU 71 -4.288 15.021 5.208 405 HB3 LEU 71 HB3 LEU 71 -4.282 13.400 4.539 406 HD11 LEU 71 HD11 LEU 71 -6.040 13.826 2.154 407 HD12 LEU 71 HD12 LEU 71 -4.800 14.425 1.051 408 HD13 LEU 71 HD13 LEU 71 -4.452 13.057 2.107 409 HD21 LEU 71 HD23 LEU 71 -4.772 16.982 3.699 410 HD22 LEU 71 HD21 LEU 71 -4.891 16.725 1.957 411 HD23 LEU 71 HD22 LEU 71 -6.208 16.220 3.015 412 H ARG 72 HN ARG 72 -5.649 14.302 7.268 413 HA ARG 72 HA ARG 72 -5.320 11.624 7.982 414 HE ARG 72 HE ARG 72 -4.150 12.466 11.762 415 HB2 ARG 72 HB2 ARG 72 -5.938 14.088 9.589 416 HB3 ARG 72 HB3 ARG 72 -5.610 12.529 10.334 417 HG2 ARG 72 HG2 ARG 72 -3.401 12.497 9.264 418 HG3 ARG 72 HG3 ARG 72 -3.745 14.077 8.551 419 HD2 ARG 72 HD2 ARG 72 -2.373 14.134 10.653 420 HD3 ARG 72 HD3 ARG 72 -3.833 15.122 10.669 421 HH11 ARG 72 HH12 ARG 72 -3.265 15.782 12.449 422 HH12 ARG 72 HH11 ARG 72 -3.826 15.738 14.095 423 HH21 ARG 72 HH22 ARG 72 -4.884 12.383 13.945 424 HH22 ARG 72 HH21 ARG 72 -4.725 13.788 14.946 425 H GLU 73 HN GLU 73 -8.107 13.590 7.758 426 HA GLU 73 HA GLU 73 -9.829 12.346 9.587 427 HB2 GLU 73 HB2 GLU 73 -10.124 14.604 8.587 428 HB3 GLU 73 HB3 GLU 73 -10.533 13.844 7.056 429 HG2 GLU 73 HG2 GLU 73 -12.542 12.959 7.921 430 HG3 GLU 73 HG3 GLU 73 -12.073 13.331 9.582 431 H GLN 74 HN GLN 74 -8.902 11.567 6.369 432 HA GLN 74 HA GLN 74 -10.865 9.371 6.246 433 HB2 GLN 74 HB2 GLN 74 -9.353 10.749 4.009 434 HB3 GLN 74 HB3 GLN 74 -10.488 9.427 3.797 435 HG2 GLN 74 HG2 GLN 74 -11.213 12.131 4.917 436 HG3 GLN 74 HG3 GLN 74 -11.405 11.667 3.230 437 HE21 GLN 74 HE21 GLN 74 -13.026 10.208 2.670 438 HE22 GLN 74 HE22 GLN 74 -14.332 9.834 3.739 439 H ALA 75 HN ALA 75 -7.885 9.929 7.237 440 HA ALA 75 HA ALA 75 -6.574 7.731 5.804 441 HB1 ALA 75 HB3 ALA 75 -5.272 9.787 7.580 442 HB2 ALA 75 HB1 ALA 75 -4.478 8.637 6.503 443 HB3 ALA 75 HB2 ALA 75 -5.445 9.951 5.833 444 H GLY 76 HN GLY 76 -5.013 6.458 7.168 445 HA2 GLY 76 HA1 GLY 76 -4.637 5.215 9.145 446 HA3 GLY 76 HA2 GLY 76 -6.126 5.883 9.814 447 H GLY 77 HN GLY 77 -7.068 5.280 6.908 448 HA2 GLY 77 HA1 GLY 77 -7.179 2.424 6.736 449 HA3 GLY 77 HA2 GLY 77 -8.714 3.137 7.248 450 H ASP 78 HN ASP 78 -9.771 2.563 5.254 451 HA ASP 78 HA ASP 78 -8.555 3.348 2.776 452 HB2 ASP 78 HB2 ASP 78 -10.208 1.390 3.130 453 HB3 ASP 78 HB3 ASP 78 -11.461 2.625 3.013 454 H ALA 79 HN ALA 79 -9.230 5.003 1.346 455 HA ALA 79 HA ALA 79 -10.811 7.127 2.639 456 HB1 ALA 79 HB3 ALA 79 -8.403 7.643 2.700 457 HB2 ALA 79 HB1 ALA 79 -8.353 7.533 0.940 458 HB3 ALA 79 HB2 ALA 79 -9.312 8.793 1.717 459 H THR 80 HN THR 80 -11.032 4.967 0.287 460 HA THR 80 HA THR 80 -11.481 6.496 -2.059 461 HB THR 80 HB THR 80 -11.094 3.979 -1.965 462 HG1 THR 80 HG1 THR 80 -13.338 4.880 -3.483 463 HG21 THR 80 HG23 THR 80 -14.063 3.987 -1.390 464 HG22 THR 80 HG21 THR 80 -12.800 3.408 -0.302 465 HG23 THR 80 HG22 THR 80 -13.110 2.568 -1.823 466 H GLU 81 HN GLU 81 -13.246 6.303 0.770 467 HA GLU 81 HA GLU 81 -15.888 6.646 0.156 468 HB2 GLU 81 HB2 GLU 81 -14.877 6.720 2.437 469 HB3 GLU 81 HB3 GLU 81 -14.259 8.325 2.084 470 HG2 GLU 81 HG2 GLU 81 -16.144 8.790 3.296 471 HG3 GLU 81 HG3 GLU 81 -16.736 8.907 1.639 472 H ASN 82 HN ASN 82 -13.488 9.228 0.401 473 HA ASN 82 HA ASN 82 -15.167 11.262 -0.665 474 HB2 ASN 82 HB2 ASN 82 -13.281 11.666 0.914 475 HB3 ASN 82 HB3 ASN 82 -12.155 11.215 -0.360 476 HD21 ASN 82 HD21 ASN 82 -15.099 13.151 -0.712 477 HD22 ASN 82 HD22 ASN 82 -14.277 14.599 -1.190 478 H PHE 83 HN PHE 83 -12.874 9.048 -1.888 479 HA PHE 83 HA PHE 83 -12.036 10.193 -4.293 480 HD1 PHE 83 HD2 PHE 83 -12.553 6.666 -6.028 481 HD2 PHE 83 HD1 PHE 83 -9.267 8.899 -4.530 482 HE1 PHE 83 HE2 PHE 83 -11.302 6.200 -8.094 483 HE2 PHE 83 HE1 PHE 83 -8.002 8.434 -6.589 484 HZ PHE 83 HZ PHE 83 -9.024 7.084 -8.376 485 HB2 PHE 83 HB2 PHE 83 -11.026 8.238 -3.093 486 HB3 PHE 83 HB3 PHE 83 -12.365 7.250 -3.659 487 H GLU 84 HN GLU 84 -14.799 8.190 -3.532 488 HA GLU 84 HA GLU 84 -15.535 7.874 -6.298 489 HB2 GLU 84 HB2 GLU 84 -16.691 6.947 -3.686 490 HB3 GLU 84 HB3 GLU 84 -17.556 6.713 -5.197 491 HG2 GLU 84 HG2 GLU 84 -15.306 5.637 -5.974 492 HG3 GLU 84 HG3 GLU 84 -15.018 5.471 -4.244 493 H ASP 85 HN ASP 85 -16.049 10.218 -3.934 494 HA ASP 85 HA ASP 85 -18.687 11.015 -4.882 495 HB2 ASP 85 HB2 ASP 85 -17.871 11.139 -2.439 496 HB3 ASP 85 HB3 ASP 85 -16.922 12.525 -2.951 497 H VAL 86 HN VAL 86 -16.738 10.964 -6.830 498 HA VAL 86 HA VAL 86 -15.681 12.118 -8.468 499 HB VAL 86 HB VAL 86 -17.558 14.391 -7.780 500 HG11 VAL 86 HG11 VAL 86 -15.838 14.942 -9.427 501 HG12 VAL 86 HG12 VAL 86 -16.291 13.538 -10.390 502 HG13 VAL 86 HG13 VAL 86 -17.425 14.875 -10.191 503 HG21 VAL 86 HG23 VAL 86 -18.805 12.272 -7.933 504 HG22 VAL 86 HG21 VAL 86 -19.192 13.362 -9.266 505 HG23 VAL 86 HG22 VAL 86 -18.110 11.993 -9.530 506 H GLY 87 HN GLY 87 -13.980 12.091 -6.571 507 HA2 GLY 87 HA1 GLY 87 -13.164 14.884 -6.138 508 HA3 GLY 87 HA2 GLY 87 -13.075 13.684 -4.860 509 H HIS 88 HN HIS 88 -12.012 13.996 -8.250 510 HA HIS 88 HA HIS 88 -9.332 14.328 -7.788 511 HD1 HIS 88 HD1 HIS 88 -8.769 10.247 -5.954 512 HD2 HIS 88 HD2 HIS 88 -7.465 14.146 -6.612 513 HE1 HIS 88 HE1 HIS 88 -7.184 10.805 -4.045 514 HB2 HIS 88 HB2 HIS 88 -10.045 11.442 -7.815 515 HB3 HIS 88 HB3 HIS 88 -8.661 11.918 -8.795 516 H SER 89 HN SER 89 -8.066 13.379 -9.991 517 HA SER 89 HA SER 89 -9.866 13.527 -12.250 518 HG SER 89 HG SER 89 -7.235 16.565 -11.884 519 HB2 SER 89 HB2 SER 89 -8.503 15.488 -13.194 520 HB3 SER 89 HB3 SER 89 -9.665 15.845 -11.917 521 H THR 90 HN THR 90 -8.514 11.284 -11.931 522 HA THR 90 HA THR 90 -7.436 9.824 -13.309 523 HB THR 90 HB THR 90 -6.738 12.230 -15.005 524 HG1 THR 90 HG1 THR 90 -8.596 11.043 -16.217 525 HG21 THR 90 HG23 THR 90 -5.337 10.275 -15.497 526 HG22 THR 90 HG21 THR 90 -6.478 10.589 -16.804 527 HG23 THR 90 HG22 THR 90 -6.786 9.280 -15.661 528 H ASP 91 HN ASP 91 -5.443 12.776 -12.785 529 HA ASP 91 HA ASP 91 -2.950 11.649 -13.132 530 HB2 ASP 91 HB2 ASP 91 -3.874 13.821 -11.267 531 HB3 ASP 91 HB3 ASP 91 -2.190 13.309 -11.305 532 H ALA 92 HN ALA 92 -5.036 11.439 -10.334 533 HA ALA 92 HA ALA 92 -3.128 10.256 -8.583 534 HB1 ALA 92 HB3 ALA 92 -5.069 11.554 -7.818 535 HB2 ALA 92 HB1 ALA 92 -6.136 10.281 -8.405 536 HB3 ALA 92 HB2 ALA 92 -5.017 9.948 -7.083 537 H ARG 93 HN ARG 93 -4.400 9.002 -11.298 538 HA ARG 93 HA ARG 93 -4.776 6.266 -10.401 539 HE ARG 93 HE ARG 93 -9.055 6.389 -12.776 540 HB2 ARG 93 HB2 ARG 93 -4.767 7.625 -13.092 541 HB3 ARG 93 HB3 ARG 93 -4.731 5.871 -12.964 542 HG2 ARG 93 HG2 ARG 93 -6.851 5.880 -11.806 543 HG3 ARG 93 HG3 ARG 93 -6.864 7.647 -11.805 544 HD2 ARG 93 HD2 ARG 93 -6.970 7.690 -14.218 545 HD3 ARG 93 HD3 ARG 93 -6.809 5.941 -14.289 546 HH11 ARG 93 HH12 ARG 93 -8.014 7.262 -16.020 547 HH12 ARG 93 HH11 ARG 93 -9.628 7.239 -16.670 548 HH21 ARG 93 HH22 ARG 93 -11.164 6.394 -13.641 549 HH22 ARG 93 HH21 ARG 93 -11.406 6.762 -15.317 550 H GLU 94 HN GLU 94 -2.304 8.285 -11.825 551 HA GLU 94 HA GLU 94 -0.578 5.940 -12.242 552 HB2 GLU 94 HB2 GLU 94 -0.396 8.640 -13.599 553 HB3 GLU 94 HB3 GLU 94 0.575 7.222 -13.962 554 HG2 GLU 94 HG2 GLU 94 -2.376 7.572 -14.438 555 HG3 GLU 94 HG3 GLU 94 -1.105 7.478 -15.652 556 H MET 95 HN MET 95 -0.613 9.313 -11.250 557 HA MET 95 HA MET 95 2.112 9.508 -10.529 558 HB2 MET 95 HB2 MET 95 0.796 11.469 -11.056 559 HB3 MET 95 HB3 MET 95 -0.303 11.138 -9.723 560 HG2 MET 95 HG2 MET 95 1.460 11.566 -8.125 561 HG3 MET 95 HG3 MET 95 2.615 11.801 -9.434 562 HE1 MET 95 HE3 MET 95 2.103 15.381 -7.858 563 HE2 MET 95 HE1 MET 95 1.997 13.852 -6.985 564 HE3 MET 95 HE2 MET 95 3.266 14.096 -8.187 565 H SER 96 HN SER 96 -0.534 8.090 -8.985 566 HA SER 96 HA SER 96 0.182 8.687 -6.293 567 HG SER 96 HG SER 96 -2.833 6.692 -7.970 568 HB2 SER 96 HB2 SER 96 -1.630 7.043 -5.763 569 HB3 SER 96 HB3 SER 96 -2.130 8.346 -6.841 570 H LYS 97 HN LYS 97 1.141 6.477 -8.615 571 HA LYS 97 HA LYS 97 1.477 4.052 -7.329 572 HB2 LYS 97 HB2 LYS 97 2.987 5.314 -9.608 573 HB3 LYS 97 HB3 LYS 97 3.254 3.657 -9.089 574 HG2 LYS 97 HG2 LYS 97 0.971 3.080 -9.619 575 HG3 LYS 97 HG3 LYS 97 0.620 4.759 -10.047 576 HD2 LYS 97 HD2 LYS 97 2.373 4.618 -11.803 577 HD3 LYS 97 HD3 LYS 97 2.572 2.910 -11.419 578 HE2 LYS 97 HE2 LYS 97 0.020 4.193 -12.389 579 HE3 LYS 97 HE3 LYS 97 1.149 3.283 -13.387 580 HZ1 LYS 97 HZ3 LYS 97 -0.664 1.883 -12.732 581 HZ2 LYS 97 HZ1 LYS 97 -0.406 2.224 -11.096 582 HZ3 LYS 97 HZ2 LYS 97 0.747 1.341 -11.967 583 H THR 98 HN THR 98 3.439 6.890 -7.226 584 HA THR 98 HA THR 98 5.832 5.608 -6.282 585 HB THR 98 HB THR 98 5.266 8.560 -6.125 586 HG1 THR 98 HG1 THR 98 5.814 6.988 -8.442 587 HG21 THR 98 HG23 THR 98 7.387 7.773 -5.210 588 HG22 THR 98 HG21 THR 98 7.658 8.711 -6.680 589 HG23 THR 98 HG22 THR 98 7.749 6.951 -6.727 590 H PHE 99 HN PHE 99 2.956 6.214 -4.857 591 HA PHE 99 HA PHE 99 4.181 6.659 -2.217 592 HD1 PHE 99 HD1 PHE 99 3.908 9.067 -1.119 593 HD2 PHE 99 HD2 PHE 99 1.612 8.980 -4.708 594 HE1 PHE 99 HE1 PHE 99 4.660 11.355 -1.652 595 HE2 PHE 99 HE2 PHE 99 2.363 11.259 -5.249 596 HZ PHE 99 HZ PHE 99 3.973 12.416 -3.744 597 HB2 PHE 99 HB2 PHE 99 1.365 7.270 -3.151 598 HB3 PHE 99 HB3 PHE 99 1.940 7.470 -1.499 599 H ILE 100 HN ILE 100 2.815 4.374 -4.217 600 HA ILE 100 HA ILE 100 1.268 2.880 -2.326 601 HB ILE 100 HB ILE 100 2.540 1.864 -4.883 602 HG12 ILE 100 HG12 ILE 100 -0.226 2.993 -4.440 603 HG13 ILE 100 HG13 ILE 100 1.079 3.809 -5.291 604 HG21 ILE 100 HG21 ILE 100 0.187 0.818 -3.305 605 HG22 ILE 100 HG22 ILE 100 0.825 0.137 -4.801 606 HG23 ILE 100 HG23 ILE 100 1.800 0.103 -3.333 607 HD11 ILE 100 HD13 ILE 100 1.073 2.085 -6.994 608 HD12 ILE 100 HD11 ILE 100 -0.195 1.215 -6.128 609 HD13 ILE 100 HD12 ILE 100 -0.528 2.803 -6.822 610 H ILE 101 HN ILE 101 2.396 2.225 -0.511 611 HA ILE 101 HA ILE 101 5.148 1.358 -0.823 612 HB ILE 101 HB ILE 101 5.157 1.146 1.661 613 HG12 ILE 101 HG12 ILE 101 2.365 2.286 1.419 614 HG13 ILE 101 HG13 ILE 101 2.775 0.671 1.988 615 HG21 ILE 101 HG21 ILE 101 4.286 3.789 0.493 616 HG22 ILE 101 HG22 ILE 101 4.997 3.589 2.094 617 HG23 ILE 101 HG23 ILE 101 5.936 3.190 0.656 618 HD11 ILE 101 HD13 ILE 101 3.541 3.257 3.314 619 HD12 ILE 101 HD11 ILE 101 2.283 2.138 3.845 620 HD13 ILE 101 HD12 ILE 101 3.975 1.642 3.870 621 H GLY 102 HN GLY 102 2.011 -0.111 -0.443 622 HA2 GLY 102 HA1 GLY 102 2.744 -2.488 -1.530 623 HA3 GLY 102 HA2 GLY 102 3.083 -2.721 0.180 624 H GLU 103 HN GLU 103 1.456 -4.428 0.028 625 HA GLU 103 HA GLU 103 -1.298 -3.416 -0.049 626 HB2 GLU 103 HB2 GLU 103 -0.097 -6.086 -0.621 627 HB3 GLU 103 HB3 GLU 103 -1.746 -6.015 -0.025 628 HG2 GLU 103 HG2 GLU 103 -1.982 -6.094 -2.320 629 HG3 GLU 103 HG3 GLU 103 -2.165 -4.384 -1.948 630 H LEU 104 HN LEU 104 -2.538 -5.481 1.391 631 HA LEU 104 HA LEU 104 -1.460 -4.936 4.064 632 HG LEU 104 HG LEU 104 -3.400 -3.391 5.072 633 HB2 LEU 104 HB2 LEU 104 -4.247 -5.524 3.114 634 HB3 LEU 104 HB3 LEU 104 -3.791 -5.728 4.787 635 HD11 LEU 104 HD11 LEU 104 -3.632 -1.753 3.318 636 HD12 LEU 104 HD12 LEU 104 -2.369 -2.909 2.897 637 HD13 LEU 104 HD13 LEU 104 -3.957 -3.019 2.133 638 HD21 LEU 104 HD23 LEU 104 -5.714 -4.156 5.192 639 HD22 LEU 104 HD21 LEU 104 -5.612 -2.496 4.605 640 HD23 LEU 104 HD22 LEU 104 -5.916 -3.816 3.472 641 H HIS 105 HN HIS 105 -1.548 -6.669 5.668 642 HA HIS 105 HA HIS 105 -0.287 -9.004 4.742 643 HD1 HIS 105 HD1 HIS 105 1.249 -10.717 7.124 644 HD2 HIS 105 HD2 HIS 105 1.244 -6.558 7.228 645 HE1 HIS 105 HE1 HIS 105 3.632 -10.046 7.525 646 HE2 HIS 105 HE2 HIS 105 3.578 -7.541 7.768 647 HB2 HIS 105 HB2 HIS 105 -1.222 -7.914 7.308 648 HB3 HIS 105 HB3 HIS 105 -1.125 -9.670 7.253 649 HA PRO 106 HA PRO 106 -3.574 -12.281 4.602 650 HB2 PRO 106 HB2 PRO 106 -2.661 -13.093 7.336 651 HB3 PRO 106 HB3 PRO 106 -3.024 -14.098 5.929 652 HG2 PRO 106 HG2 PRO 106 -0.515 -13.605 6.590 653 HG3 PRO 106 HG3 PRO 106 -1.018 -13.597 4.889 654 HD2 PRO 106 HD2 PRO 106 -0.397 -11.319 6.697 655 HD3 PRO 106 HD3 PRO 106 -0.104 -11.496 4.955 656 H ASP 107 HN ASP 107 -4.452 -9.910 5.275 657 HA ASP 107 HA ASP 107 -6.455 -10.287 7.409 658 HB2 ASP 107 HB2 ASP 107 -5.183 -7.657 6.596 659 HB3 ASP 107 HB3 ASP 107 -6.278 -7.920 7.947 660 H ASP 108 HN ASP 108 -5.273 -8.473 4.703 661 HA ASP 108 HA ASP 108 -7.867 -8.611 3.356 662 HB2 ASP 108 HB2 ASP 108 -7.075 -6.309 3.808 663 HB3 ASP 108 HB3 ASP 108 -5.580 -6.683 2.950 664 H ARG 109 HN ARG 109 -4.441 -8.152 2.395 665 HA ARG 109 HA ARG 109 -3.026 -9.412 1.141 666 HE ARG 109 HE ARG 109 -0.596 -13.359 1.709 667 HB2 ARG 109 HB2 ARG 109 -4.380 -11.177 2.803 668 HB3 ARG 109 HB3 ARG 109 -4.637 -11.877 1.224 669 HG2 ARG 109 HG2 ARG 109 -2.129 -11.708 0.892 670 HG3 ARG 109 HG3 ARG 109 -2.036 -11.352 2.615 671 HD2 ARG 109 HD2 ARG 109 -3.029 -13.485 3.152 672 HD3 ARG 109 HD3 ARG 109 -3.307 -13.823 1.442 673 HH11 ARG 109 HH12 ARG 109 -2.920 -15.679 2.913 674 HH12 ARG 109 HH11 ARG 109 -1.760 -16.962 3.059 675 HH21 ARG 109 HH22 ARG 109 0.940 -15.020 1.920 676 HH22 ARG 109 HH21 ARG 109 0.473 -16.573 2.551 677 HA PRO 110 HA PRO 110 -5.322 -9.725 -2.778 678 HB2 PRO 110 HB2 PRO 110 -4.771 -12.264 -3.863 679 HB3 PRO 110 HB3 PRO 110 -3.895 -10.765 -4.171 680 HG2 PRO 110 HG2 PRO 110 -2.940 -13.038 -2.803 681 HG3 PRO 110 HG3 PRO 110 -2.155 -11.455 -2.912 682 HD2 PRO 110 HD2 PRO 110 -3.711 -12.643 -0.701 683 HD3 PRO 110 HD3 PRO 110 -2.454 -11.392 -0.656 684 H LYS 111 HN LYS 111 -6.742 -10.613 -0.468 685 HA LYS 111 HA LYS 111 -8.145 -12.889 -0.368 686 HB2 LYS 111 HB2 LYS 111 -8.533 -10.274 0.602 687 HB3 LYS 111 HB3 LYS 111 -10.059 -10.742 -0.132 688 HG2 LYS 111 HG2 LYS 111 -9.952 -11.263 2.270 689 HG3 LYS 111 HG3 LYS 111 -10.197 -12.694 1.267 690 HD2 LYS 111 HD2 LYS 111 -7.980 -13.410 1.560 691 HD3 LYS 111 HD3 LYS 111 -7.471 -11.837 2.180 692 HE2 LYS 111 HE2 LYS 111 -7.633 -13.459 3.985 693 HE3 LYS 111 HE3 LYS 111 -8.837 -12.187 4.183 694 HZ1 LYS 111 HZ3 LYS 111 -9.339 -14.898 3.078 695 HZ2 LYS 111 HZ1 LYS 111 -10.500 -13.675 3.249 696 HZ3 LYS 111 HZ2 LYS 111 -9.778 -14.353 4.625 697 H LEU 112 HN LEU 112 -9.435 -10.135 -2.194 698 HA LEU 112 HA LEU 112 -11.328 -11.920 -3.525 699 HG LEU 112 HG LEU 112 -12.554 -9.759 -5.402 700 HB2 LEU 112 HB2 LEU 112 -12.054 -9.798 -2.425 701 HB3 LEU 112 HB3 LEU 112 -11.113 -8.913 -3.605 702 HD11 LEU 112 HD11 LEU 112 -14.107 -11.045 -3.163 703 HD12 LEU 112 HD12 LEU 112 -14.631 -10.932 -4.843 704 HD13 LEU 112 HD13 LEU 112 -13.204 -11.881 -4.425 705 HD21 LEU 112 HD23 LEU 112 -13.128 -7.629 -4.424 706 HD22 LEU 112 HD21 LEU 112 -14.608 -8.524 -4.763 707 HD23 LEU 112 HD22 LEU 112 -13.998 -8.425 -3.112 708 H ASN 113 HN ASN 113 -8.937 -9.440 -4.369 709 HA ASN 113 HA ASN 113 -8.159 -10.943 -6.686 710 HB2 ASN 113 HB2 ASN 113 -8.487 -9.147 -8.332 711 HB3 ASN 113 HB3 ASN 113 -10.024 -9.677 -7.662 712 HD21 ASN 113 HD21 ASN 113 -11.216 -8.281 -6.424 713 HD22 ASN 113 HD22 ASN 113 -10.852 -6.597 -6.283 714 H LYS 114 HN LYS 114 -6.362 -9.772 -7.861 715 HA LYS 114 HA LYS 114 -4.958 -7.794 -6.294 716 HB2 LYS 114 HB2 LYS 114 -4.223 -9.884 -5.238 717 HB3 LYS 114 HB3 LYS 114 -3.776 -10.534 -6.810 718 HG2 LYS 114 HG2 LYS 114 -1.805 -9.810 -5.639 719 HG3 LYS 114 HG3 LYS 114 -2.083 -8.769 -7.036 720 HD2 LYS 114 HD2 LYS 114 -3.252 -7.176 -5.442 721 HD3 LYS 114 HD3 LYS 114 -2.600 -8.159 -4.129 722 HE2 LYS 114 HE2 LYS 114 -0.952 -6.812 -6.266 723 HE3 LYS 114 HE3 LYS 114 -1.223 -6.168 -4.648 724 HZ1 LYS 114 HZ3 LYS 114 0.298 -8.591 -5.429 725 HZ2 LYS 114 HZ1 LYS 114 -0.237 -8.336 -3.837 726 HZ3 LYS 114 HZ2 LYS 114 0.827 -7.237 -4.545 727 HA PRO 115 HA PRO 115 -4.002 -7.130 -10.639 728 HB2 PRO 115 HB2 PRO 115 -3.940 -4.355 -10.262 729 HB3 PRO 115 HB3 PRO 115 -5.318 -5.299 -10.828 730 HG2 PRO 115 HG2 PRO 115 -5.088 -3.904 -8.373 731 HG3 PRO 115 HG3 PRO 115 -6.396 -4.982 -8.875 732 HD2 PRO 115 HD2 PRO 115 -4.097 -5.504 -7.086 733 HD3 PRO 115 HD3 PRO 115 -5.698 -6.275 -7.134 734 HA PRO 116 HA PRO 116 0.318 -6.110 -9.767 735 HB2 PRO 116 HB2 PRO 116 1.356 -8.163 -11.215 736 HB3 PRO 116 HB3 PRO 116 0.863 -8.333 -9.529 737 HG2 PRO 116 HG2 PRO 116 -0.361 -9.446 -11.928 738 HG3 PRO 116 HG3 PRO 116 -0.650 -9.857 -10.231 739 HD2 PRO 116 HD2 PRO 116 -2.207 -8.138 -11.992 740 HD3 PRO 116 HD3 PRO 116 -2.620 -8.755 -10.380 741 H GLU 117 HN GLU 117 1.661 -4.908 -11.169 742 HA GLU 117 HA GLU 117 0.498 -4.432 -13.782 743 HB2 GLU 117 HB2 GLU 117 2.807 -3.059 -12.407 744 HB3 GLU 117 HB3 GLU 117 2.095 -2.563 -13.939 745 HG2 GLU 117 HG2 GLU 117 -0.113 -2.416 -12.637 746 HG3 GLU 117 HG3 GLU 117 0.896 -2.482 -11.196 747 H THR 118 HN THR 118 3.726 -5.206 -12.539 748 HA THR 118 HA THR 118 5.276 -6.728 -13.174 749 HB THR 118 HB THR 118 3.152 -7.926 -14.946 750 HG1 THR 118 HG1 THR 118 3.582 -8.460 -12.174 751 HG21 THR 118 HG23 THR 118 4.272 -10.036 -14.364 752 HG22 THR 118 HG21 THR 118 5.467 -9.134 -13.433 753 HG23 THR 118 HG22 THR 118 5.367 -8.920 -15.181 754 H LEU 119 HN LEU 119 4.373 -4.359 -15.072 755 HA LEU 119 HA LEU 119 5.440 -5.201 -17.609 756 HG LEU 119 HG LEU 119 2.683 -4.002 -16.934 757 HB2 LEU 119 HB2 LEU 119 4.586 -2.496 -16.582 758 HB3 LEU 119 HB3 LEU 119 5.134 -2.793 -18.221 759 HD11 LEU 119 HD11 LEU 119 2.984 -1.908 -19.077 760 HD12 LEU 119 HD12 LEU 119 1.457 -2.566 -18.487 761 HD13 LEU 119 HD13 LEU 119 2.484 -1.614 -17.414 762 HD21 LEU 119 HD23 LEU 119 3.672 -5.534 -18.555 763 HD22 LEU 119 HD21 LEU 119 2.178 -4.841 -19.186 764 HD23 LEU 119 HD22 LEU 119 3.737 -4.244 -19.758 765 H ILE 120 HN ILE 120 6.326 -2.367 -15.675 766 HA ILE 120 HA ILE 120 9.097 -2.761 -16.486 767 HB ILE 120 HB ILE 120 8.177 -0.544 -16.946 768 HG12 ILE 120 HG12 ILE 120 9.906 0.829 -15.722 769 HG13 ILE 120 HG13 ILE 120 10.287 -0.612 -14.785 770 HG21 ILE 120 HG21 ILE 120 7.592 1.008 -15.158 771 HG22 ILE 120 HG22 ILE 120 6.507 -0.381 -15.210 772 HG23 ILE 120 HG23 ILE 120 7.767 -0.289 -13.977 773 HD11 ILE 120 HD13 ILE 120 11.849 -0.240 -16.631 774 HD12 ILE 120 HD11 ILE 120 10.986 -1.769 -16.782 775 HD13 ILE 120 HD12 ILE 120 10.515 -0.389 -17.777 776 H THR 121 HN THR 121 10.046 -4.161 -15.192 777 HA THR 121 HA THR 121 9.387 -4.603 -12.493 778 HB THR 121 HB THR 121 11.917 -5.388 -13.954 779 HG1 THR 121 HG1 THR 121 10.773 -7.275 -14.450 780 HG21 THR 121 HG23 THR 121 12.090 -7.151 -12.272 781 HG22 THR 121 HG21 THR 121 10.620 -6.567 -11.491 782 HG23 THR 121 HG22 THR 121 12.070 -5.566 -11.496 783 H THR 122 HN THR 122 10.007 -3.592 -10.688 784 HA THR 122 HA THR 122 12.229 -1.685 -10.895 785 HB THR 122 HB THR 122 10.071 -0.596 -10.485 786 HG1 THR 122 HG1 THR 122 11.272 0.725 -9.380 787 HG21 THR 122 HG23 THR 122 8.933 -2.433 -9.317 788 HG22 THR 122 HG21 THR 122 8.853 -0.928 -8.401 789 HG23 THR 122 HG22 THR 122 9.985 -2.193 -7.922 790 H ILE 123 HN ILE 123 13.915 -1.871 -9.535 791 HA ILE 123 HA ILE 123 13.684 -3.677 -7.228 792 HB ILE 123 HB ILE 123 16.147 -3.775 -8.972 793 HG12 ILE 123 HG12 ILE 123 13.740 -5.589 -9.191 794 HG13 ILE 123 HG13 ILE 123 14.223 -4.405 -10.401 795 HG21 ILE 123 HG21 ILE 123 16.441 -5.964 -7.903 796 HG22 ILE 123 HG22 ILE 123 16.322 -4.670 -6.711 797 HG23 ILE 123 HG23 ILE 123 14.941 -5.726 -7.008 798 HD11 ILE 123 HD13 ILE 123 14.880 -6.686 -10.994 799 HD12 ILE 123 HD11 ILE 123 16.282 -5.634 -10.797 800 HD13 ILE 123 HD12 ILE 123 15.850 -6.781 -9.527 801 H ASP 124 HN ASP 124 16.163 -3.528 -6.194 802 HA ASP 124 HA ASP 124 17.794 -2.316 -5.192 803 HB2 ASP 124 HB2 ASP 124 18.171 -1.151 -7.322 804 HB3 ASP 124 HB3 ASP 124 16.903 0.002 -6.915 805 H SER 125 HN SER 125 15.218 0.116 -5.686 806 HA SER 125 HA SER 125 14.339 -0.048 -2.992 807 HG SER 125 HG SER 125 17.100 1.970 -4.300 808 HB2 SER 125 HB2 SER 125 15.080 2.269 -2.330 809 HB3 SER 125 HB3 SER 125 16.369 1.072 -2.423 810 H SER 126 HN SER 126 14.679 2.935 -4.869 811 HA SER 126 HA SER 126 11.782 2.867 -5.414 812 HG SER 126 HG SER 126 13.804 6.016 -4.839 813 HB2 SER 126 HB2 SER 126 11.760 5.344 -4.907 814 HB3 SER 126 HB3 SER 126 12.024 4.308 -3.503 815 H SER 127 HN SER 127 14.427 2.547 -6.936 816 HA SER 127 HA SER 127 15.318 3.045 -8.965 817 HG SER 127 HG SER 127 14.383 4.488 -11.085 818 HB2 SER 127 HB2 SER 127 12.997 2.463 -9.676 819 HB3 SER 127 HB3 SER 127 12.564 4.167 -9.556 820 H SER 128 HN SER 128 15.945 4.819 -6.995 821 HA SER 128 HA SER 128 15.845 7.431 -8.330 822 HG SER 128 HG SER 128 13.890 7.831 -7.010 823 HB2 SER 128 HB2 SER 128 15.988 6.840 -5.363 824 HB3 SER 128 HB3 SER 128 15.962 8.444 -6.091 825 HHA HEM 129 HHA HEM 129 -5.832 17.562 -6.209 826 HHB HEM 129 HHB HEM 129 -2.218 12.200 -6.169 827 HHC HEM 129 HHC HEM 129 -5.151 10.350 -0.780 828 HHD HEM 129 HHD HEM 129 -9.253 15.319 -1.246 829 HAB HEM 129 HAB HEM 129 -2.770 9.438 -0.720 830 HAC HEM 129 HAC HEM 129 -9.987 14.034 0.457 831 HMA1 HEM 129 HMA1 HEM 129 -2.056 15.072 -8.884 832 HMA2 HEM 129 HMA2 HEM 129 -1.137 14.270 -7.611 833 HMA3 HEM 129 HMA3 HEM 129 -2.313 13.359 -8.573 834 HAA1 HEM 129 HAA1 HEM 129 -3.009 17.501 -8.097 835 HAA2 HEM 129 HAA2 HEM 129 -3.492 16.290 -8.831 836 HBA1 HEM 129 HBA1 HEM 129 -5.228 18.284 -9.092 837 HBA2 HEM 129 HBA2 HEM 129 -5.974 16.708 -8.767 838 HMB1 HEM 129 HMB1 HEM 129 -0.315 10.793 -4.080 839 HMB2 HEM 129 HMB2 HEM 129 -1.304 9.536 -5.079 840 HMB3 HEM 129 HMB3 HEM 129 -1.139 9.656 -3.567 841 HBB1 HEM 129 HBB1 HEM 129 -2.749 7.874 -3.339 842 HBB2 HEM 129 HBB2 HEM 129 -2.455 7.238 -1.603 843 HMC1 HEM 129 HMC1 HEM 129 -8.335 10.378 0.882 844 HMC2 HEM 129 HMC2 HEM 129 -6.645 9.998 0.526 845 HMC3 HEM 129 HMC3 HEM 129 -7.091 11.141 1.844 846 HBC1 HEM 129 HBC1 HEM 129 -10.035 13.361 2.723 847 HBC2 HEM 129 HBC2 HEM 129 -8.400 12.506 2.578 848 HMD1 HEM 129 HMD1 HEM 129 -10.297 17.111 -1.856 849 HMD2 HEM 129 HMD2 HEM 129 -10.422 18.325 -3.276 850 HMD3 HEM 129 HMD3 HEM 129 -9.304 18.179 -2.269 851 HAD1 HEM 129 HAD1 HEM 129 -8.614 18.396 -6.326 852 HAD2 HEM 129 HAD2 HEM 129 -9.259 18.555 -4.969 853 HBD1 HEM 129 HBD1 HEM 129 -8.045 20.684 -5.716 854 HBD2 HEM 129 HBD2 HEM 129 -7.234 20.152 -4.237 Start of MODEL 20 1 HA MET 21 HA MET 21 3.600 -26.878 -9.093 2 H1 MET 21 1H MET 21 5.243 -27.413 -7.640 3 HB2 MET 21 HB2 MET 21 2.164 -28.422 -7.914 4 HB3 MET 21 HB3 MET 21 1.810 -27.222 -6.680 5 HG2 MET 21 HG2 MET 21 -0.074 -27.399 -8.139 6 HG3 MET 21 HG3 MET 21 0.702 -25.839 -8.409 7 HE1 MET 21 HE3 MET 21 1.013 -29.437 -11.282 8 HE2 MET 21 HE1 MET 21 1.773 -29.425 -9.691 9 HE3 MET 21 HE2 MET 21 0.014 -29.422 -9.830 10 H ALA 22 HN ALA 22 2.476 -25.240 -6.124 11 HA ALA 22 HA ALA 22 3.017 -22.658 -7.365 12 HB1 ALA 22 HB3 ALA 22 0.727 -21.856 -7.004 13 HB2 ALA 22 HB1 ALA 22 0.783 -23.185 -8.162 14 HB3 ALA 22 HB2 ALA 22 0.244 -23.479 -6.508 15 H GLU 23 HN GLU 23 3.341 -21.037 -5.902 16 HA GLU 23 HA GLU 23 3.580 -21.803 -3.107 17 HB2 GLU 23 HB2 GLU 23 4.168 -19.138 -4.422 18 HB3 GLU 23 HB3 GLU 23 4.648 -19.625 -2.805 19 HG2 GLU 23 HG2 GLU 23 5.578 -21.079 -5.253 20 HG3 GLU 23 HG3 GLU 23 6.418 -19.667 -4.615 21 H GLN 24 HN GLN 24 2.625 -18.633 -4.203 22 HA GLN 24 HA GLN 24 -0.081 -18.987 -3.146 23 HB2 GLN 24 HB2 GLN 24 0.181 -16.509 -2.386 24 HB3 GLN 24 HB3 GLN 24 0.828 -17.795 -1.379 25 HG2 GLN 24 HG2 GLN 24 2.997 -17.288 -2.845 26 HG3 GLN 24 HG3 GLN 24 2.226 -15.703 -2.923 27 HE21 GLN 24 HE21 GLN 24 3.685 -18.074 -0.854 28 HE22 GLN 24 HE22 GLN 24 3.873 -17.054 0.529 29 H SER 25 HN SER 25 0.891 -19.219 -5.747 30 HA SER 25 HA SER 25 0.464 -18.663 -7.878 31 HG SER 25 HG SER 25 -2.742 -18.571 -6.490 32 HB2 SER 25 HB2 SER 25 -1.586 -16.822 -6.630 33 HB3 SER 25 HB3 SER 25 -1.481 -17.181 -8.354 34 H ASP 26 HN ASP 26 -0.090 -15.442 -6.470 35 HA ASP 26 HA ASP 26 1.609 -14.346 -8.568 36 HB2 ASP 26 HB2 ASP 26 -0.206 -12.997 -6.558 37 HB3 ASP 26 HB3 ASP 26 0.655 -12.169 -7.855 38 H GLU 27 HN GLU 27 2.820 -15.749 -6.396 39 HA GLU 27 HA GLU 27 4.582 -15.684 -5.007 40 HB2 GLU 27 HB2 GLU 27 5.170 -13.091 -6.434 41 HB3 GLU 27 HB3 GLU 27 6.297 -13.942 -5.385 42 HG2 GLU 27 HG2 GLU 27 5.792 -15.929 -7.034 43 HG3 GLU 27 HG3 GLU 27 5.370 -14.606 -8.122 44 H ALA 28 HN ALA 28 5.934 -13.552 -3.777 45 HA ALA 28 HA ALA 28 4.095 -13.134 -1.592 46 HB1 ALA 28 HB3 ALA 28 6.402 -13.866 -1.183 47 HB2 ALA 28 HB1 ALA 28 6.992 -12.343 -1.845 48 HB3 ALA 28 HB2 ALA 28 6.031 -12.346 -0.366 49 H VAL 29 HN VAL 29 3.596 -11.142 -0.676 50 HA VAL 29 HA VAL 29 4.204 -8.719 -2.224 51 HB VAL 29 HB VAL 29 1.454 -9.260 -1.091 52 HG11 VAL 29 HG11 VAL 29 2.115 -6.911 -1.349 53 HG12 VAL 29 HG12 VAL 29 2.395 -7.192 -3.066 54 HG13 VAL 29 HG13 VAL 29 0.771 -7.354 -2.398 55 HG21 VAL 29 HG23 VAL 29 0.671 -9.635 -3.392 56 HG22 VAL 29 HG21 VAL 29 2.340 -9.582 -3.955 57 HG23 VAL 29 HG22 VAL 29 1.817 -10.871 -2.873 58 H LYS 30 HN LYS 30 4.557 -6.923 -0.907 59 HA LYS 30 HA LYS 30 4.903 -7.476 1.885 60 HB2 LYS 30 HB2 LYS 30 5.212 -4.877 0.366 61 HB3 LYS 30 HB3 LYS 30 5.593 -5.086 2.067 62 HG2 LYS 30 HG2 LYS 30 7.655 -5.242 1.047 63 HG3 LYS 30 HG3 LYS 30 7.197 -6.930 1.261 64 HD2 LYS 30 HD2 LYS 30 8.066 -6.754 -0.935 65 HD3 LYS 30 HD3 LYS 30 6.315 -6.862 -1.110 66 HE2 LYS 30 HE2 LYS 30 7.050 -5.164 -2.594 67 HE3 LYS 30 HE3 LYS 30 6.276 -4.355 -1.235 68 HZ1 LYS 30 HZ3 LYS 30 8.466 -3.918 -0.295 69 HZ2 LYS 30 HZ1 LYS 30 8.332 -3.255 -1.850 70 HZ3 LYS 30 HZ2 LYS 30 9.209 -4.684 -1.611 71 H TYR 31 HN TYR 31 3.261 -7.488 3.261 72 HA TYR 31 HA TYR 31 0.917 -5.822 2.659 73 HD1 TYR 31 HD2 TYR 31 -0.386 -7.069 1.263 74 HD2 TYR 31 HD1 TYR 31 1.076 -10.316 3.583 75 HE1 TYR 31 HE2 TYR 31 -0.796 -8.595 -0.630 76 HE2 TYR 31 HE1 TYR 31 0.677 -11.853 1.707 77 HH TYR 31 HH TYR 31 0.050 -10.785 -1.435 78 HB2 TYR 31 HB2 TYR 31 1.109 -8.216 4.486 79 HB3 TYR 31 HB3 TYR 31 -0.350 -7.328 4.082 80 H TYR 32 HN TYR 32 -0.211 -4.854 4.455 81 HA TYR 32 HA TYR 32 1.099 -4.991 7.073 82 HD1 TYR 32 HD1 TYR 32 2.802 -2.834 8.181 83 HD2 TYR 32 HD2 TYR 32 1.662 -2.131 4.143 84 HE1 TYR 32 HE1 TYR 32 5.097 -2.129 7.662 85 HE2 TYR 32 HE2 TYR 32 3.955 -1.413 3.616 86 HH TYR 32 HH TYR 32 6.574 -1.897 5.773 87 HB2 TYR 32 HB2 TYR 32 -0.010 -2.447 5.845 88 HB3 TYR 32 HB3 TYR 32 0.436 -2.625 7.535 89 H THR 33 HN THR 33 -0.447 -5.012 8.801 90 HA THR 33 HA THR 33 -3.108 -5.770 8.030 91 HB THR 33 HB THR 33 -3.547 -5.545 10.545 92 HG1 THR 33 HG1 THR 33 -0.693 -5.486 10.618 93 HG21 THR 33 HG23 THR 33 -3.189 -7.683 9.421 94 HG22 THR 33 HG21 THR 33 -2.469 -7.667 11.032 95 HG23 THR 33 HG22 THR 33 -1.445 -7.485 9.609 96 H LEU 34 HN LEU 34 -5.058 -4.676 8.966 97 HA LEU 34 HA LEU 34 -5.300 -1.950 8.568 98 HG LEU 34 HG LEU 34 -7.104 -1.136 10.960 99 HB2 LEU 34 HB2 LEU 34 -7.190 -3.501 9.066 100 HB3 LEU 34 HB3 LEU 34 -6.662 -3.574 10.737 101 HD11 LEU 34 HD11 LEU 34 -6.814 -0.497 8.634 102 HD12 LEU 34 HD12 LEU 34 -8.246 -1.419 8.183 103 HD13 LEU 34 HD13 LEU 34 -8.398 -0.001 9.225 104 HD21 LEU 34 HD23 LEU 34 -8.801 -2.753 11.633 105 HD22 LEU 34 HD21 LEU 34 -9.549 -1.306 10.958 106 HD23 LEU 34 HD22 LEU 34 -9.443 -2.777 9.990 107 H GLU 35 HN GLU 35 -4.371 -3.748 11.381 108 HA GLU 35 HA GLU 35 -4.123 -1.904 13.395 109 HB2 GLU 35 HB2 GLU 35 -3.916 -4.353 13.643 110 HB3 GLU 35 HB3 GLU 35 -2.355 -4.293 12.836 111 HG2 GLU 35 HG2 GLU 35 -1.700 -2.665 14.731 112 HG3 GLU 35 HG3 GLU 35 -3.103 -3.329 15.564 113 H GLU 36 HN GLU 36 -1.682 -2.924 11.083 114 HA GLU 36 HA GLU 36 0.470 -1.478 12.210 115 HB2 GLU 36 HB2 GLU 36 0.004 -2.887 9.603 116 HB3 GLU 36 HB3 GLU 36 1.516 -2.051 9.939 117 HG2 GLU 36 HG2 GLU 36 2.045 -3.506 11.709 118 HG3 GLU 36 HG3 GLU 36 0.409 -4.165 11.759 119 H ILE 37 HN ILE 37 -1.913 -0.748 9.814 120 HA ILE 37 HA ILE 37 -0.505 1.647 8.923 121 HB ILE 37 HB ILE 37 -3.161 0.501 8.037 122 HG12 ILE 37 HG12 ILE 37 -0.517 0.442 6.591 123 HG13 ILE 37 HG13 ILE 37 -1.053 -0.871 7.635 124 HG21 ILE 37 HG21 ILE 37 -3.055 2.879 7.613 125 HG22 ILE 37 HG22 ILE 37 -1.458 2.712 6.880 126 HG23 ILE 37 HG23 ILE 37 -2.871 2.007 6.092 127 HD11 ILE 37 HD13 ILE 37 -2.511 0.119 5.196 128 HD12 ILE 37 HD11 ILE 37 -1.476 -1.305 5.265 129 HD13 ILE 37 HD12 ILE 37 -2.969 -1.254 6.203 130 H GLN 38 HN GLN 38 -3.268 0.651 10.800 131 HA GLN 38 HA GLN 38 -4.428 3.152 11.331 132 HB2 GLN 38 HB2 GLN 38 -5.271 0.805 11.943 133 HB3 GLN 38 HB3 GLN 38 -4.169 0.877 13.312 134 HG2 GLN 38 HG2 GLN 38 -6.335 1.467 14.069 135 HG3 GLN 38 HG3 GLN 38 -5.344 2.922 14.076 136 HE21 GLN 38 HE21 GLN 38 -5.735 4.525 12.518 137 HE22 GLN 38 HE22 GLN 38 -7.231 4.604 11.656 138 H LYS 39 HN LYS 39 -1.741 1.404 12.731 139 HA LYS 39 HA LYS 39 -1.257 3.111 14.946 140 HB2 LYS 39 HB2 LYS 39 -0.424 0.599 14.108 141 HB3 LYS 39 HB3 LYS 39 1.033 1.571 13.955 142 HG2 LYS 39 HG2 LYS 39 0.849 2.237 16.293 143 HG3 LYS 39 HG3 LYS 39 -0.633 1.293 16.438 144 HD2 LYS 39 HD2 LYS 39 1.960 0.040 15.598 145 HD3 LYS 39 HD3 LYS 39 1.508 0.220 17.296 146 HE2 LYS 39 HE2 LYS 39 -0.494 -1.072 16.947 147 HE3 LYS 39 HE3 LYS 39 -0.181 -1.152 15.220 148 HZ1 LYS 39 HZ3 LYS 39 1.915 -2.380 15.812 149 HZ2 LYS 39 HZ1 LYS 39 0.479 -3.216 16.159 150 HZ3 LYS 39 HZ2 LYS 39 1.352 -2.461 17.403 151 H HIS 40 HN HIS 40 -0.804 3.499 11.683 152 HA HIS 40 HA HIS 40 1.438 5.362 12.049 153 HD1 HIS 40 HD1 HIS 40 2.592 1.847 9.337 154 HD2 HIS 40 HD2 HIS 40 3.456 4.512 12.387 155 HE1 HIS 40 HE1 HIS 40 4.670 0.957 10.426 156 HE2 HIS 40 HE2 HIS 40 5.294 2.702 12.130 157 HB2 HIS 40 HB2 HIS 40 0.738 3.544 9.756 158 HB3 HIS 40 HB3 HIS 40 1.750 4.965 9.516 159 H ASN 41 HN ASN 41 -1.578 5.645 12.196 160 HA ASN 41 HA ASN 41 -1.471 8.154 10.688 161 HB2 ASN 41 HB2 ASN 41 -3.331 6.867 9.778 162 HB3 ASN 41 HB3 ASN 41 -3.966 6.628 11.396 163 HD21 ASN 41 HD21 ASN 41 -5.920 7.641 10.966 164 HD22 ASN 41 HD22 ASN 41 -6.042 9.345 10.725 165 H HIS 42 HN HIS 42 -0.649 9.433 12.202 166 HA HIS 42 HA HIS 42 -2.299 9.857 14.553 167 HD1 HIS 42 HD1 HIS 42 2.225 10.504 15.145 168 HD2 HIS 42 HD2 HIS 42 0.724 6.873 13.774 169 HE1 HIS 42 HE1 HIS 42 4.157 9.326 14.070 170 HE2 HIS 42 HE2 HIS 42 3.289 7.023 13.580 171 HB2 HIS 42 HB2 HIS 42 -0.133 10.004 15.954 172 HB3 HIS 42 HB3 HIS 42 -0.798 8.422 15.605 173 H SER 43 HN SER 43 0.684 10.913 12.945 174 HA SER 43 HA SER 43 -0.131 13.587 12.594 175 HG SER 43 HG SER 43 2.023 13.274 16.059 176 HB2 SER 43 HB2 SER 43 1.511 14.579 14.272 177 HB3 SER 43 HB3 SER 43 0.049 13.881 14.967 178 H LYS 44 HN LYS 44 2.938 12.334 13.757 179 HA LYS 44 HA LYS 44 4.621 13.468 11.864 180 HB2 LYS 44 HB2 LYS 44 5.156 12.315 14.108 181 HB3 LYS 44 HB3 LYS 44 5.170 10.817 13.187 182 HG2 LYS 44 HG2 LYS 44 7.417 11.533 13.358 183 HG3 LYS 44 HG3 LYS 44 6.908 11.876 11.700 184 HD2 LYS 44 HD2 LYS 44 6.496 14.201 12.297 185 HD3 LYS 44 HD3 LYS 44 6.963 13.867 13.963 186 HE2 LYS 44 HE2 LYS 44 9.205 13.178 13.104 187 HE3 LYS 44 HE3 LYS 44 8.705 13.755 11.514 188 HZ1 LYS 44 HZ3 LYS 44 8.331 15.956 12.509 189 HZ2 LYS 44 HZ1 LYS 44 9.947 15.455 12.645 190 HZ3 LYS 44 HZ2 LYS 44 8.918 15.386 13.989 191 H SER 45 HN SER 45 3.195 10.238 11.940 192 HA SER 45 HA SER 45 3.693 10.060 9.063 193 HG SER 45 HG SER 45 4.203 7.513 8.361 194 HB2 SER 45 HB2 SER 45 4.841 8.256 10.297 195 HB3 SER 45 HB3 SER 45 3.307 7.770 11.012 196 H THR 46 HN THR 46 2.000 9.712 7.737 197 HA THR 46 HA THR 46 -0.616 9.112 8.865 198 HB THR 46 HB THR 46 -0.160 11.452 6.987 199 HG1 THR 46 HG1 THR 46 0.581 11.882 9.145 200 HG21 THR 46 HG23 THR 46 -2.635 10.542 8.459 201 HG22 THR 46 HG21 THR 46 -2.351 10.391 6.725 202 HG23 THR 46 HG22 THR 46 -2.502 11.987 7.458 203 H TRP 47 HN TRP 47 -0.495 7.097 7.858 204 HA TRP 47 HA TRP 47 -0.177 6.991 4.965 205 HD1 TRP 47 HD1 TRP 47 1.918 6.933 5.399 206 HE1 TRP 47 HE1 TRP 47 4.246 5.853 5.550 207 HE3 TRP 47 HE3 TRP 47 0.528 2.258 6.926 208 HZ2 TRP 47 HZ2 TRP 47 5.346 3.341 6.256 209 HZ3 TRP 47 HZ3 TRP 47 2.270 0.578 7.318 210 HH2 TRP 47 HH2 TRP 47 4.626 1.099 6.992 211 HB2 TRP 47 HB2 TRP 47 -0.609 4.873 7.064 212 HB3 TRP 47 HB3 TRP 47 -0.698 4.519 5.344 213 H LEU 48 HN LEU 48 -1.860 5.480 3.837 214 HA LEU 48 HA LEU 48 -4.500 5.598 4.977 215 HG LEU 48 HG LEU 48 -4.068 6.431 1.224 216 HB2 LEU 48 HB2 LEU 48 -5.596 6.739 3.135 217 HB3 LEU 48 HB3 LEU 48 -4.439 7.789 3.918 218 HD11 LEU 48 HD11 LEU 48 -4.521 9.323 1.952 219 HD12 LEU 48 HD12 LEU 48 -4.265 8.674 0.333 220 HD13 LEU 48 HD13 LEU 48 -5.716 8.239 1.236 221 HD21 LEU 48 HD23 LEU 48 -2.061 7.795 1.019 222 HD22 LEU 48 HD21 LEU 48 -2.306 8.436 2.648 223 HD23 LEU 48 HD22 LEU 48 -1.930 6.729 2.418 224 H ILE 49 HN ILE 49 -6.059 4.289 3.805 225 HA ILE 49 HA ILE 49 -4.717 2.346 2.032 226 HB ILE 49 HB ILE 49 -7.094 1.849 3.834 227 HG12 ILE 49 HG12 ILE 49 -4.243 0.856 4.104 228 HG13 ILE 49 HG13 ILE 49 -4.907 2.212 5.012 229 HG21 ILE 49 HG21 ILE 49 -5.471 -0.020 2.106 230 HG22 ILE 49 HG22 ILE 49 -6.745 -0.509 3.226 231 HG23 ILE 49 HG23 ILE 49 -7.137 0.486 1.822 232 HD11 ILE 49 HD13 ILE 49 -5.913 -0.617 5.135 233 HD12 ILE 49 HD11 ILE 49 -4.869 0.160 6.324 234 HD13 ILE 49 HD12 ILE 49 -6.514 0.746 6.078 235 H LEU 50 HN LEU 50 -5.436 2.320 0.002 236 HA LEU 50 HA LEU 50 -7.959 3.713 -0.516 237 HG LEU 50 HG LEU 50 -5.473 5.716 -2.455 238 HB2 LEU 50 HB2 LEU 50 -5.498 3.331 -2.193 239 HB3 LEU 50 HB3 LEU 50 -7.020 3.805 -2.913 240 HD11 LEU 50 HD11 LEU 50 -7.920 6.006 -2.636 241 HD12 LEU 50 HD12 LEU 50 -8.047 5.785 -0.892 242 HD13 LEU 50 HD13 LEU 50 -7.172 7.172 -1.542 243 HD21 LEU 50 HD23 LEU 50 -5.245 6.493 -0.155 244 HD22 LEU 50 HD21 LEU 50 -6.027 5.019 0.413 245 HD23 LEU 50 HD22 LEU 50 -4.468 4.930 -0.409 246 H HIS 51 HN HIS 51 -6.613 1.714 -2.975 247 HA HIS 51 HA HIS 51 -9.054 0.126 -2.900 248 HD1 HIS 51 HD1 HIS 51 -9.489 -0.014 -7.021 249 HD2 HIS 51 HD2 HIS 51 -9.133 2.841 -4.019 250 HE1 HIS 51 HE1 HIS 51 -11.163 1.762 -7.581 251 HE2 HIS 51 HE2 HIS 51 -11.143 3.313 -5.601 252 HB2 HIS 51 HB2 HIS 51 -6.931 0.589 -4.967 253 HB3 HIS 51 HB3 HIS 51 -8.019 -0.790 -5.113 254 H HIS 52 HN HIS 52 -8.030 -0.763 -0.785 255 HA HIS 52 HA HIS 52 -7.315 -2.623 0.344 256 HD1 HIS 52 HD1 HIS 52 -9.030 -5.267 -3.053 257 HD2 HIS 52 HD2 HIS 52 -9.326 -3.656 0.759 258 HE1 HIS 52 HE1 HIS 52 -11.362 -5.778 -2.281 259 HE2 HIS 52 HE2 HIS 52 -11.422 -5.008 0.110 260 HB2 HIS 52 HB2 HIS 52 -7.068 -3.763 -2.443 261 HB3 HIS 52 HB3 HIS 52 -6.631 -4.679 -1.005 262 H LYS 53 HN LYS 53 -5.503 -0.593 -1.285 263 HA LYS 53 HA LYS 53 -2.975 -1.874 -0.511 264 HB2 LYS 53 HB2 LYS 53 -3.415 0.143 -2.732 265 HB3 LYS 53 HB3 LYS 53 -1.860 -0.502 -2.234 266 HG2 LYS 53 HG2 LYS 53 -2.387 -2.666 -3.018 267 HG3 LYS 53 HG3 LYS 53 -4.089 -2.253 -3.238 268 HD2 LYS 53 HD2 LYS 53 -3.457 -0.663 -5.004 269 HD3 LYS 53 HD3 LYS 53 -1.760 -1.095 -4.778 270 HE2 LYS 53 HE2 LYS 53 -3.951 -2.991 -5.620 271 HE3 LYS 53 HE3 LYS 53 -2.779 -2.245 -6.707 272 HZ1 LYS 53 HZ3 LYS 53 -2.288 -4.262 -4.583 273 HZ2 LYS 53 HZ1 LYS 53 -1.030 -3.343 -5.268 274 HZ3 LYS 53 HZ2 LYS 53 -1.947 -4.375 -6.244 275 H VAL 54 HN VAL 54 -1.560 -0.680 0.706 276 HA VAL 54 HA VAL 54 -2.672 1.709 1.964 277 HB VAL 54 HB VAL 54 -1.744 0.065 3.460 278 HG11 VAL 54 HG11 VAL 54 0.875 0.382 2.006 279 HG12 VAL 54 HG12 VAL 54 0.578 -0.613 3.431 280 HG13 VAL 54 HG13 VAL 54 -0.198 -1.015 1.900 281 HG21 VAL 54 HG23 VAL 54 0.054 2.477 3.253 282 HG22 VAL 54 HG21 VAL 54 -1.465 2.367 4.146 283 HG23 VAL 54 HG22 VAL 54 -0.067 1.420 4.659 284 H TYR 55 HN TYR 55 -1.849 3.747 1.706 285 HA TYR 55 HA TYR 55 0.454 4.067 -0.113 286 HD1 TYR 55 HD2 TYR 55 -2.775 3.293 -0.449 287 HD2 TYR 55 HD1 TYR 55 -0.940 6.178 -2.986 288 HE1 TYR 55 HE2 TYR 55 -3.823 2.240 -2.406 289 HE2 TYR 55 HE1 TYR 55 -1.982 5.118 -4.946 290 HH TYR 55 HH TYR 55 -2.935 2.978 -5.599 291 HB2 TYR 55 HB2 TYR 55 -1.956 5.872 0.239 292 HB3 TYR 55 HB3 TYR 55 -0.541 6.289 -0.715 293 H ASP 56 HN ASP 56 1.196 6.572 0.222 294 HA ASP 56 HA ASP 56 1.525 7.030 3.105 295 HB2 ASP 56 HB2 ASP 56 3.521 5.835 2.301 296 HB3 ASP 56 HB3 ASP 56 3.749 7.040 1.042 297 H LEU 57 HN LEU 57 1.827 9.274 3.680 298 HA LEU 57 HA LEU 57 1.864 11.184 1.430 299 HG LEU 57 HG LEU 57 -0.792 9.836 2.752 300 HB2 LEU 57 HB2 LEU 57 0.349 11.809 3.935 301 HB3 LEU 57 HB3 LEU 57 0.287 12.621 2.400 302 HD11 LEU 57 HD11 LEU 57 -1.980 11.270 4.297 303 HD12 LEU 57 HD12 LEU 57 -2.229 12.467 3.024 304 HD13 LEU 57 HD13 LEU 57 -3.003 10.885 2.910 305 HD21 LEU 57 HD23 LEU 57 -2.033 10.402 0.723 306 HD22 LEU 57 HD21 LEU 57 -1.284 11.999 0.705 307 HD23 LEU 57 HD22 LEU 57 -0.293 10.560 0.468 308 H THR 58 HN THR 58 3.757 10.055 3.642 309 HA THR 58 HA THR 58 4.241 12.256 5.388 310 HB THR 58 HB THR 58 6.320 11.116 6.006 311 HG1 THR 58 HG1 THR 58 5.625 9.330 3.868 312 HG21 THR 58 HG23 THR 58 3.921 9.306 5.759 313 HG22 THR 58 HG21 THR 58 4.277 10.414 7.083 314 HG23 THR 58 HG22 THR 58 5.303 9.006 6.812 315 H LYS 59 HN LYS 59 5.484 13.995 5.127 316 HA LYS 59 HA LYS 59 6.764 15.590 4.112 317 HB2 LYS 59 HB2 LYS 59 7.274 13.546 1.939 318 HB3 LYS 59 HB3 LYS 59 8.021 15.134 2.036 319 HG2 LYS 59 HG2 LYS 59 9.206 14.525 4.023 320 HG3 LYS 59 HG3 LYS 59 8.316 13.005 4.142 321 HD2 LYS 59 HD2 LYS 59 10.209 13.777 1.923 322 HD3 LYS 59 HD3 LYS 59 10.565 12.662 3.243 323 HE2 LYS 59 HE2 LYS 59 8.455 12.298 1.116 324 HE3 LYS 59 HE3 LYS 59 9.999 11.453 1.200 325 HZ1 LYS 59 HZ3 LYS 59 8.362 10.007 2.068 326 HZ2 LYS 59 HZ1 LYS 59 7.695 11.211 3.050 327 HZ3 LYS 59 HZ2 LYS 59 9.226 10.580 3.410 328 H PHE 60 HN PHE 60 4.425 13.708 2.409 329 HA PHE 60 HA PHE 60 3.966 15.490 0.259 330 HD1 PHE 60 HD2 PHE 60 3.515 14.677 -1.963 331 HD2 PHE 60 HD1 PHE 60 0.139 13.302 0.248 332 HE1 PHE 60 HE2 PHE 60 2.076 15.066 -3.927 333 HE2 PHE 60 HE1 PHE 60 -1.297 13.686 -1.703 334 HZ PHE 60 HZ PHE 60 -0.340 14.584 -3.790 335 HB2 PHE 60 HB2 PHE 60 3.579 13.032 0.172 336 HB3 PHE 60 HB3 PHE 60 2.200 13.259 1.241 337 H LEU 61 HN LEU 61 3.070 15.442 3.430 338 HA LEU 61 HA LEU 61 0.403 16.183 3.527 339 HG LEU 61 HG LEU 61 2.496 14.427 5.107 340 HB2 LEU 61 HB2 LEU 61 2.615 16.873 5.464 341 HB3 LEU 61 HB3 LEU 61 0.900 16.893 5.827 342 HD11 LEU 61 HD11 LEU 61 3.178 15.192 7.264 343 HD12 LEU 61 HD12 LEU 61 1.504 15.468 7.754 344 HD13 LEU 61 HD13 LEU 61 2.085 13.825 7.484 345 HD21 LEU 61 HD23 LEU 61 0.181 14.203 4.425 346 HD22 LEU 61 HD21 LEU 61 0.471 13.222 5.862 347 HD23 LEU 61 HD22 LEU 61 -0.365 14.765 6.007 348 H GLU 62 HN GLU 62 3.145 18.063 2.693 349 HA GLU 62 HA GLU 62 1.780 20.602 3.253 350 HB2 GLU 62 HB2 GLU 62 4.646 20.316 2.391 351 HB3 GLU 62 HB3 GLU 62 3.896 21.620 3.299 352 HG2 GLU 62 HG2 GLU 62 3.557 19.961 5.165 353 HG3 GLU 62 HG3 GLU 62 4.603 18.866 4.256 354 H GLU 63 HN GLU 63 2.631 18.473 0.804 355 HA GLU 63 HA GLU 63 2.969 20.441 -1.334 356 HB2 GLU 63 HB2 GLU 63 3.183 17.427 -1.288 357 HB3 GLU 63 HB3 GLU 63 3.508 18.433 -2.692 358 HG2 GLU 63 HG2 GLU 63 5.004 18.902 -0.158 359 HG3 GLU 63 HG3 GLU 63 5.456 17.567 -1.220 360 H HIS 64 HN HIS 64 0.650 18.320 -0.014 361 HA HIS 64 HA HIS 64 -0.832 17.803 -2.369 362 HD1 HIS 64 HD1 HIS 64 -3.836 16.519 0.964 363 HD2 HIS 64 HD2 HIS 64 -2.531 15.619 -2.922 364 HE1 HIS 64 HE1 HIS 64 -5.702 15.172 -0.144 365 HB2 HIS 64 HB3 HIS 64 -0.691 16.306 -0.422 366 HB3 HIS 64 HB2 HIS 64 -1.586 17.438 0.534 367 HA PRO 65 HA PRO 65 -2.909 21.785 -2.603 368 HB2 PRO 65 HB2 PRO 65 -4.923 20.241 -4.136 369 HB3 PRO 65 HB3 PRO 65 -4.007 21.678 -4.597 370 HG2 PRO 65 HG2 PRO 65 -3.410 19.286 -5.608 371 HG3 PRO 65 HG3 PRO 65 -2.146 20.462 -5.215 372 HD2 PRO 65 HD2 PRO 65 -3.002 18.020 -3.731 373 HD3 PRO 65 HD3 PRO 65 -1.370 18.681 -3.968 374 H GLY 66 HN GLY 66 -3.870 22.375 -0.686 375 HA2 GLY 66 HA1 GLY 66 -5.519 22.606 0.897 376 HA3 GLY 66 HA2 GLY 66 -6.628 22.033 -0.342 377 H GLY 67 HN GLY 67 -3.967 20.583 1.504 378 HA2 GLY 67 HA1 GLY 67 -5.829 18.685 2.686 379 HA3 GLY 67 HA2 GLY 67 -4.615 18.011 1.608 380 H GLU 68 HN GLU 68 -5.266 18.101 4.620 381 HA GLU 68 HA GLU 68 -2.739 17.451 5.565 382 HB2 GLU 68 HB2 GLU 68 -2.252 19.881 5.370 383 HB3 GLU 68 HB3 GLU 68 -3.626 20.233 6.411 384 HG2 GLU 68 HG2 GLU 68 -2.501 18.842 8.180 385 HG3 GLU 68 HG3 GLU 68 -1.081 18.810 7.140 386 H GLU 69 HN GLU 69 -5.086 19.523 7.120 387 HA GLU 69 HA GLU 69 -5.654 17.904 9.342 388 HB2 GLU 69 HB2 GLU 69 -6.044 20.347 9.186 389 HB3 GLU 69 HB3 GLU 69 -7.318 20.061 8.010 390 HG2 GLU 69 HG2 GLU 69 -8.494 18.720 9.801 391 HG3 GLU 69 HG3 GLU 69 -7.315 19.384 10.934 392 H VAL 70 HN VAL 70 -7.376 18.390 6.293 393 HA VAL 70 HA VAL 70 -9.494 16.562 7.031 394 HB VAL 70 HB VAL 70 -10.369 17.052 4.729 395 HG11 VAL 70 HG11 VAL 70 -11.008 19.369 5.257 396 HG12 VAL 70 HG12 VAL 70 -11.175 18.285 6.638 397 HG13 VAL 70 HG13 VAL 70 -9.803 19.390 6.543 398 HG21 VAL 70 HG23 VAL 70 -8.308 17.582 3.582 399 HG22 VAL 70 HG21 VAL 70 -9.373 18.985 3.544 400 HG23 VAL 70 HG22 VAL 70 -8.015 18.939 4.669 401 H LEU 71 HN LEU 71 -6.493 15.871 6.217 402 HA LEU 71 HA LEU 71 -7.098 13.697 4.367 403 HG LEU 71 HG LEU 71 -4.960 16.137 4.208 404 HB2 LEU 71 HB2 LEU 71 -4.513 14.363 5.804 405 HB3 LEU 71 HB3 LEU 71 -4.701 13.150 4.552 406 HD11 LEU 71 HD11 LEU 71 -2.938 14.158 3.154 407 HD12 LEU 71 HD12 LEU 71 -3.001 15.878 2.768 408 HD13 LEU 71 HD13 LEU 71 -2.658 15.357 4.418 409 HD21 LEU 71 HD23 LEU 71 -5.342 13.903 2.218 410 HD22 LEU 71 HD21 LEU 71 -6.572 15.027 2.796 411 HD23 LEU 71 HD22 LEU 71 -5.231 15.616 1.815 412 H ARG 72 HN ARG 72 -6.297 14.337 7.672 413 HA ARG 72 HA ARG 72 -5.542 11.915 8.682 414 HE ARG 72 HE ARG 72 -3.694 13.169 13.147 415 HB2 ARG 72 HB2 ARG 72 -5.819 14.339 9.669 416 HB3 ARG 72 HB3 ARG 72 -7.344 13.698 10.258 417 HG2 ARG 72 HG2 ARG 72 -6.222 12.018 11.525 418 HG3 ARG 72 HG3 ARG 72 -4.663 12.462 10.816 419 HD2 ARG 72 HD2 ARG 72 -4.937 14.735 11.778 420 HD3 ARG 72 HD3 ARG 72 -6.405 14.175 12.578 421 HH11 ARG 72 HH12 ARG 72 -7.001 13.790 14.055 422 HH12 ARG 72 HH11 ARG 72 -6.789 13.311 15.702 423 HH21 ARG 72 HH22 ARG 72 -3.380 12.535 15.315 424 HH22 ARG 72 HH21 ARG 72 -4.709 12.618 16.439 425 H GLU 73 HN GLU 73 -8.754 13.209 8.326 426 HA GLU 73 HA GLU 73 -10.353 11.526 9.776 427 HB2 GLU 73 HB2 GLU 73 -11.124 13.581 8.765 428 HB3 GLU 73 HB3 GLU 73 -10.875 12.930 7.153 429 HG2 GLU 73 HG2 GLU 73 -13.189 12.902 7.568 430 HG3 GLU 73 HG3 GLU 73 -12.633 11.233 7.663 431 H GLN 74 HN GLN 74 -9.189 11.063 6.474 432 HA GLN 74 HA GLN 74 -10.668 8.526 6.283 433 HB2 GLN 74 HB2 GLN 74 -9.373 10.227 4.139 434 HB3 GLN 74 HB3 GLN 74 -10.273 8.747 3.847 435 HG2 GLN 74 HG2 GLN 74 -11.405 11.263 5.049 436 HG3 GLN 74 HG3 GLN 74 -11.581 10.776 3.362 437 HE21 GLN 74 HE21 GLN 74 -11.872 7.932 4.098 438 HE22 GLN 74 HE22 GLN 74 -13.473 7.771 4.727 439 H ALA 75 HN ALA 75 -7.699 9.684 7.061 440 HA ALA 75 HA ALA 75 -6.074 7.782 5.607 441 HB1 ALA 75 HB3 ALA 75 -4.197 8.828 6.778 442 HB2 ALA 75 HB1 ALA 75 -5.225 10.031 5.997 443 HB3 ALA 75 HB2 ALA 75 -5.327 9.783 7.741 444 H GLY 76 HN GLY 76 -4.586 6.345 6.729 445 HA2 GLY 76 HA1 GLY 76 -4.012 4.844 8.412 446 HA3 GLY 76 HA2 GLY 76 -5.312 5.493 9.410 447 H GLY 77 HN GLY 77 -7.247 5.218 7.205 448 HA2 GLY 77 HA1 GLY 77 -7.412 2.307 6.932 449 HA3 GLY 77 HA2 GLY 77 -8.762 3.185 7.646 450 H ASP 78 HN ASP 78 -10.326 3.000 6.115 451 HA ASP 78 HA ASP 78 -9.781 2.867 3.358 452 HB2 ASP 78 HB2 ASP 78 -12.425 3.513 4.673 453 HB3 ASP 78 HB3 ASP 78 -12.198 2.965 3.018 454 H ALA 79 HN ALA 79 -8.822 4.540 2.368 455 HA ALA 79 HA ALA 79 -10.019 7.203 2.662 456 HB1 ALA 79 HB3 ALA 79 -7.506 6.330 1.240 457 HB2 ALA 79 HB1 ALA 79 -8.086 7.992 1.370 458 HB3 ALA 79 HB2 ALA 79 -7.600 7.112 2.820 459 H THR 80 HN THR 80 -10.146 4.454 0.781 460 HA THR 80 HA THR 80 -10.419 5.431 -1.835 461 HB THR 80 HB THR 80 -9.991 3.070 -1.279 462 HG1 THR 80 HG1 THR 80 -12.182 3.758 -2.939 463 HG21 THR 80 HG23 THR 80 -11.468 2.782 0.613 464 HG22 THR 80 HG21 THR 80 -11.869 1.606 -0.635 465 HG23 THR 80 HG22 THR 80 -12.883 3.032 -0.408 466 H GLU 81 HN GLU 81 -12.467 5.727 0.820 467 HA GLU 81 HA GLU 81 -15.069 5.540 0.004 468 HB2 GLU 81 HB2 GLU 81 -14.006 6.348 2.234 469 HB3 GLU 81 HB3 GLU 81 -14.078 7.948 1.518 470 HG2 GLU 81 HG2 GLU 81 -16.026 7.931 2.695 471 HG3 GLU 81 HG3 GLU 81 -16.592 7.319 1.140 472 H ASN 82 HN ASN 82 -12.958 8.335 -0.381 473 HA ASN 82 HA ASN 82 -14.977 9.968 -1.596 474 HB2 ASN 82 HB2 ASN 82 -11.993 10.407 -1.353 475 HB3 ASN 82 HB3 ASN 82 -13.184 11.639 -1.751 476 HD21 ASN 82 HD21 ASN 82 -14.592 12.374 -0.144 477 HD22 ASN 82 HD22 ASN 82 -14.246 12.130 1.532 478 H PHE 83 HN PHE 83 -12.453 7.922 -2.709 479 HA PHE 83 HA PHE 83 -11.972 9.127 -5.231 480 HD1 PHE 83 HD1 PHE 83 -9.184 8.868 -5.791 481 HD2 PHE 83 HD2 PHE 83 -11.270 5.228 -6.483 482 HE1 PHE 83 HE1 PHE 83 -7.961 8.572 -7.909 483 HE2 PHE 83 HE2 PHE 83 -10.061 4.926 -8.591 484 HZ PHE 83 HZ PHE 83 -8.378 6.600 -9.299 485 HB2 PHE 83 HB2 PHE 83 -10.370 7.656 -3.968 486 HB3 PHE 83 HB3 PHE 83 -11.393 6.281 -4.359 487 H GLU 84 HN GLU 84 -14.236 6.838 -4.007 488 HA GLU 84 HA GLU 84 -14.866 5.598 -6.525 489 HB2 GLU 84 HB2 GLU 84 -16.273 5.399 -3.854 490 HB3 GLU 84 HB3 GLU 84 -16.505 4.337 -5.226 491 HG2 GLU 84 HG2 GLU 84 -14.106 4.576 -3.452 492 HG3 GLU 84 HG3 GLU 84 -15.139 3.174 -3.725 493 H ASP 85 HN ASP 85 -15.973 8.248 -4.690 494 HA ASP 85 HA ASP 85 -18.619 8.377 -5.871 495 HB2 ASP 85 HB2 ASP 85 -18.301 8.983 -3.498 496 HB3 ASP 85 HB3 ASP 85 -17.189 10.256 -3.975 497 H VAL 86 HN VAL 86 -15.818 10.520 -5.652 498 HA VAL 86 HA VAL 86 -15.403 10.937 -8.328 499 HB VAL 86 HB VAL 86 -17.574 12.041 -8.489 500 HG11 VAL 86 HG11 VAL 86 -18.096 14.102 -7.311 501 HG12 VAL 86 HG12 VAL 86 -17.817 12.789 -6.167 502 HG13 VAL 86 HG13 VAL 86 -16.569 14.005 -6.435 503 HG21 VAL 86 HG23 VAL 86 -15.711 12.848 -9.867 504 HG22 VAL 86 HG21 VAL 86 -16.867 14.127 -9.498 505 HG23 VAL 86 HG22 VAL 86 -15.332 14.050 -8.633 506 H GLY 87 HN GLY 87 -13.292 11.307 -8.172 507 HA2 GLY 87 HA1 GLY 87 -12.372 13.481 -6.476 508 HA3 GLY 87 HA2 GLY 87 -11.838 11.876 -6.016 509 H HIS 88 HN HIS 88 -10.715 14.485 -7.300 510 HA HIS 88 HA HIS 88 -8.707 14.899 -8.262 511 HD1 HIS 88 HD1 HIS 88 -8.526 10.911 -6.246 512 HD2 HIS 88 HD2 HIS 88 -6.500 14.535 -6.536 513 HE1 HIS 88 HE1 HIS 88 -7.466 11.326 -3.960 514 HB2 HIS 88 HB2 HIS 88 -8.557 11.891 -8.585 515 HB3 HIS 88 HB3 HIS 88 -7.236 13.007 -8.928 516 H SER 89 HN SER 89 -7.468 14.410 -10.416 517 HA SER 89 HA SER 89 -9.375 13.872 -12.580 518 HG SER 89 HG SER 89 -8.509 16.295 -11.351 519 HB2 SER 89 HB2 SER 89 -6.835 15.380 -12.922 520 HB3 SER 89 HB3 SER 89 -8.231 15.368 -13.984 521 H THR 90 HN THR 90 -7.873 13.102 -14.629 522 HA THR 90 HA THR 90 -6.631 10.660 -13.808 523 HB THR 90 HB THR 90 -6.514 12.040 -16.505 524 HG1 THR 90 HG1 THR 90 -8.557 11.448 -16.511 525 HG21 THR 90 HG23 THR 90 -4.751 10.339 -16.219 526 HG22 THR 90 HG21 THR 90 -5.964 9.839 -17.395 527 HG23 THR 90 HG22 THR 90 -5.978 9.155 -15.769 528 H ASP 91 HN ASP 91 -5.232 11.575 -12.249 529 HA ASP 91 HA ASP 91 -2.561 12.093 -13.274 530 HB2 ASP 91 HB2 ASP 91 -3.511 14.356 -13.001 531 HB3 ASP 91 HB3 ASP 91 -3.974 13.968 -11.350 532 H ALA 92 HN ALA 92 -4.518 12.135 -10.310 533 HA ALA 92 HA ALA 92 -2.662 10.618 -8.762 534 HB1 ALA 92 HB3 ALA 92 -5.601 11.144 -8.278 535 HB2 ALA 92 HB1 ALA 92 -4.449 10.521 -7.099 536 HB3 ALA 92 HB2 ALA 92 -4.269 12.160 -7.722 537 H ARG 93 HN ARG 93 -2.685 9.277 -10.846 538 HA ARG 93 HA ARG 93 -4.018 6.740 -10.387 539 HE ARG 93 HE ARG 93 -3.715 5.579 -15.592 540 HB2 ARG 93 HB2 ARG 93 -5.547 7.621 -11.957 541 HB3 ARG 93 HB3 ARG 93 -4.298 8.541 -12.788 542 HG2 ARG 93 HG2 ARG 93 -3.334 6.350 -13.533 543 HG3 ARG 93 HG3 ARG 93 -4.792 5.599 -12.897 544 HD2 ARG 93 HD2 ARG 93 -6.167 6.649 -14.488 545 HD3 ARG 93 HD3 ARG 93 -4.934 7.848 -14.877 546 HH11 ARG 93 HH12 ARG 93 -6.930 6.793 -16.349 547 HH12 ARG 93 HH11 ARG 93 -6.995 5.980 -17.888 548 HH21 ARG 93 HH22 ARG 93 -3.817 4.520 -17.591 549 HH22 ARG 93 HH21 ARG 93 -5.239 4.668 -18.576 550 H GLU 94 HN GLU 94 -1.798 8.824 -12.023 551 HA GLU 94 HA GLU 94 -0.046 6.620 -12.875 552 HB2 GLU 94 HB2 GLU 94 -0.059 9.509 -13.788 553 HB3 GLU 94 HB3 GLU 94 0.821 8.176 -14.521 554 HG2 GLU 94 HG2 GLU 94 -2.175 8.226 -14.393 555 HG3 GLU 94 HG3 GLU 94 -1.277 9.000 -15.697 556 H MET 95 HN MET 95 -0.404 9.534 -11.085 557 HA MET 95 HA MET 95 2.380 9.987 -10.523 558 HB2 MET 95 HB2 MET 95 0.654 11.793 -10.825 559 HB3 MET 95 HB3 MET 95 -0.076 11.266 -9.314 560 HG2 MET 95 HG2 MET 95 1.266 13.190 -8.914 561 HG3 MET 95 HG3 MET 95 2.018 11.792 -8.148 562 HE1 MET 95 HE3 MET 95 5.069 14.010 -9.201 563 HE2 MET 95 HE1 MET 95 3.503 14.506 -8.559 564 HE3 MET 95 HE2 MET 95 4.327 13.102 -7.883 565 H SER 96 HN SER 96 -0.326 8.390 -9.029 566 HA SER 96 HA SER 96 0.602 8.812 -6.357 567 HG SER 96 HG SER 96 -2.564 6.488 -7.170 568 HB2 SER 96 HB2 SER 96 -1.393 7.507 -5.709 569 HB3 SER 96 HB3 SER 96 -1.756 8.864 -6.771 570 H LYS 97 HN LYS 97 1.519 6.834 -8.702 571 HA LYS 97 HA LYS 97 1.290 4.200 -7.877 572 HB2 LYS 97 HB2 LYS 97 3.370 5.507 -9.640 573 HB3 LYS 97 HB3 LYS 97 3.102 3.771 -9.530 574 HG2 LYS 97 HG2 LYS 97 0.804 5.526 -10.217 575 HG3 LYS 97 HG3 LYS 97 2.025 5.201 -11.446 576 HD2 LYS 97 HD2 LYS 97 0.624 3.039 -9.882 577 HD3 LYS 97 HD3 LYS 97 0.055 3.636 -11.444 578 HE2 LYS 97 HE2 LYS 97 2.215 3.026 -12.445 579 HE3 LYS 97 HE3 LYS 97 2.745 2.386 -10.892 580 HZ1 LYS 97 HZ3 LYS 97 1.018 0.742 -10.981 581 HZ2 LYS 97 HZ1 LYS 97 1.924 0.657 -12.408 582 HZ3 LYS 97 HZ2 LYS 97 0.397 1.392 -12.415 583 H THR 98 HN THR 98 3.693 6.579 -7.095 584 HA THR 98 HA THR 98 5.566 4.658 -6.029 585 HB THR 98 HB THR 98 6.849 6.760 -5.406 586 HG1 THR 98 HG1 THR 98 5.876 8.540 -6.931 587 HG21 THR 98 HG23 THR 98 6.079 6.403 -8.305 588 HG22 THR 98 HG21 THR 98 7.311 5.480 -7.445 589 HG23 THR 98 HG22 THR 98 7.531 7.210 -7.712 590 H PHE 99 HN PHE 99 2.798 6.054 -4.913 591 HA PHE 99 HA PHE 99 3.702 6.309 -2.144 592 HD1 PHE 99 HD1 PHE 99 2.999 8.792 -0.991 593 HD2 PHE 99 HD2 PHE 99 1.716 8.509 -5.034 594 HE1 PHE 99 HE1 PHE 99 3.831 11.075 -1.405 595 HE2 PHE 99 HE2 PHE 99 2.538 10.782 -5.462 596 HZ PHE 99 HZ PHE 99 3.593 12.076 -3.654 597 HB2 PHE 99 HB2 PHE 99 1.031 6.890 -3.447 598 HB3 PHE 99 HB3 PHE 99 1.366 7.095 -1.729 599 H ILE 100 HN ILE 100 2.250 4.077 -4.268 600 HA ILE 100 HA ILE 100 0.677 2.662 -2.346 601 HB ILE 100 HB ILE 100 1.696 1.430 -4.900 602 HG12 ILE 100 HG12 ILE 100 -0.700 3.248 -4.578 603 HG13 ILE 100 HG13 ILE 100 0.766 3.628 -5.468 604 HG21 ILE 100 HG21 ILE 100 -0.456 0.237 -4.774 605 HG22 ILE 100 HG22 ILE 100 0.582 -0.061 -3.380 606 HG23 ILE 100 HG23 ILE 100 -0.783 1.045 -3.242 607 HD11 ILE 100 HD13 ILE 100 -0.995 3.005 -6.987 608 HD12 ILE 100 HD11 ILE 100 0.290 1.799 -7.021 609 HD13 ILE 100 HD12 ILE 100 -1.207 1.464 -6.151 610 H ILE 101 HN ILE 101 2.217 2.279 -0.643 611 HA ILE 101 HA ILE 101 4.777 1.162 -1.198 612 HB ILE 101 HB ILE 101 4.949 0.949 1.307 613 HG12 ILE 101 HG12 ILE 101 2.274 2.374 1.231 614 HG13 ILE 101 HG13 ILE 101 2.518 0.710 1.743 615 HG21 ILE 101 HG21 ILE 101 5.064 3.395 1.654 616 HG22 ILE 101 HG22 ILE 101 5.815 2.882 0.145 617 HG23 ILE 101 HG23 ILE 101 4.215 3.621 0.126 618 HD11 ILE 101 HD13 ILE 101 3.900 1.471 3.587 619 HD12 ILE 101 HD11 ILE 101 3.676 3.143 3.077 620 HD13 ILE 101 HD12 ILE 101 2.296 2.201 3.641 621 H GLY 102 HN GLY 102 1.686 -0.215 -0.306 622 HA2 GLY 102 HA1 GLY 102 2.512 -2.827 -0.964 623 HA3 GLY 102 HA2 GLY 102 2.538 -2.636 0.783 624 H GLU 103 HN GLU 103 0.887 -4.377 0.593 625 HA GLU 103 HA GLU 103 -1.760 -3.158 0.186 626 HB2 GLU 103 HB2 GLU 103 -0.994 -6.038 -0.325 627 HB3 GLU 103 HB3 GLU 103 -2.619 -5.375 -0.451 628 HG2 GLU 103 HG2 GLU 103 -1.728 -3.792 -2.182 629 HG3 GLU 103 HG3 GLU 103 -0.235 -4.725 -2.155 630 H LEU 104 HN LEU 104 -3.268 -5.259 1.240 631 HA LEU 104 HA LEU 104 -2.646 -4.844 4.069 632 HG LEU 104 HG LEU 104 -4.771 -3.377 2.208 633 HB2 LEU 104 HB2 LEU 104 -5.203 -5.728 2.767 634 HB3 LEU 104 HB3 LEU 104 -4.984 -5.371 4.467 635 HD11 LEU 104 HD11 LEU 104 -6.853 -3.697 4.368 636 HD12 LEU 104 HD12 LEU 104 -6.815 -2.436 3.134 637 HD13 LEU 104 HD13 LEU 104 -7.063 -4.122 2.671 638 HD21 LEU 104 HD23 LEU 104 -4.623 -1.708 4.005 639 HD22 LEU 104 HD21 LEU 104 -4.537 -3.011 5.191 640 HD23 LEU 104 HD22 LEU 104 -3.251 -2.814 4.005 641 H HIS 105 HN HIS 105 -3.170 -6.605 5.590 642 HA HIS 105 HA HIS 105 -1.964 -9.061 4.854 643 HD1 HIS 105 HD1 HIS 105 -1.420 -10.386 8.717 644 HD2 HIS 105 HD2 HIS 105 -0.330 -7.190 6.302 645 HE1 HIS 105 HE1 HIS 105 1.003 -9.946 9.239 646 HE2 HIS 105 HE2 HIS 105 1.562 -7.852 7.941 647 HB2 HIS 105 HB2 HIS 105 -3.287 -7.967 7.274 648 HB3 HIS 105 HB3 HIS 105 -3.240 -9.721 7.140 649 HA PRO 106 HA PRO 106 -4.818 -11.888 3.055 650 HB2 PRO 106 HB2 PRO 106 -5.076 -13.291 5.645 651 HB3 PRO 106 HB3 PRO 106 -4.589 -13.912 4.071 652 HG2 PRO 106 HG2 PRO 106 -2.908 -13.174 6.223 653 HG3 PRO 106 HG3 PRO 106 -2.415 -13.653 4.594 654 HD2 PRO 106 HD2 PRO 106 -2.093 -11.126 5.744 655 HD3 PRO 106 HD3 PRO 106 -1.951 -11.511 4.019 656 H ASP 107 HN ASP 107 -5.720 -10.770 6.274 657 HA ASP 107 HA ASP 107 -8.480 -11.551 6.057 658 HB2 ASP 107 HB2 ASP 107 -7.105 -11.476 8.205 659 HB3 ASP 107 HB3 ASP 107 -7.207 -9.723 8.108 660 H ASP 108 HN ASP 108 -6.593 -8.620 6.155 661 HA ASP 108 HA ASP 108 -8.776 -6.799 5.813 662 HB2 ASP 108 HB2 ASP 108 -5.796 -6.392 5.507 663 HB3 ASP 108 HB3 ASP 108 -6.997 -5.106 5.601 664 H ARG 109 HN ARG 109 -6.850 -8.676 3.776 665 HA ARG 109 HA ARG 109 -6.349 -6.884 1.672 666 HE ARG 109 HE ARG 109 -4.113 -10.810 -1.134 667 HB2 ARG 109 HB2 ARG 109 -5.110 -9.003 2.241 668 HB3 ARG 109 HB3 ARG 109 -6.417 -9.893 1.477 669 HG2 ARG 109 HG2 ARG 109 -5.238 -7.761 -0.160 670 HG3 ARG 109 HG3 ARG 109 -4.154 -9.096 0.237 671 HD2 ARG 109 HD2 ARG 109 -6.550 -10.313 -0.451 672 HD3 ARG 109 HD3 ARG 109 -6.371 -9.003 -1.617 673 HH11 ARG 109 HH12 ARG 109 -6.597 -9.630 -3.297 674 HH12 ARG 109 HH11 ARG 109 -5.938 -10.432 -4.682 675 HH21 ARG 109 HH22 ARG 109 -3.253 -11.858 -2.920 676 HH22 ARG 109 HH21 ARG 109 -4.034 -11.733 -4.467 677 HA PRO 110 HA PRO 110 -10.359 -8.278 -0.341 678 HB2 PRO 110 HB2 PRO 110 -11.852 -10.211 1.072 679 HB3 PRO 110 HB3 PRO 110 -10.945 -10.464 -0.424 680 HG2 PRO 110 HG2 PRO 110 -10.351 -11.574 2.086 681 HG3 PRO 110 HG3 PRO 110 -9.284 -11.552 0.676 682 HD2 PRO 110 HD2 PRO 110 -9.298 -9.799 3.078 683 HD3 PRO 110 HD3 PRO 110 -7.933 -10.331 2.073 684 H LYS 111 HN LYS 111 -10.597 -8.673 3.176 685 HA LYS 111 HA LYS 111 -12.132 -8.028 4.703 686 HB2 LYS 111 HB2 LYS 111 -10.433 -6.086 3.973 687 HB3 LYS 111 HB3 LYS 111 -11.969 -5.257 3.726 688 HG2 LYS 111 HG2 LYS 111 -11.051 -4.913 5.966 689 HG3 LYS 111 HG3 LYS 111 -12.618 -5.719 5.987 690 HD2 LYS 111 HD2 LYS 111 -11.524 -7.871 6.297 691 HD3 LYS 111 HD3 LYS 111 -9.946 -7.086 6.238 692 HE2 LYS 111 HE2 LYS 111 -12.072 -6.510 8.298 693 HE3 LYS 111 HE3 LYS 111 -10.714 -7.612 8.540 694 HZ1 LYS 111 HZ3 LYS 111 -10.311 -5.406 9.470 695 HZ2 LYS 111 HZ1 LYS 111 -10.467 -4.717 7.926 696 HZ3 LYS 111 HZ2 LYS 111 -9.188 -5.790 8.257 697 H LEU 112 HN LEU 112 -13.040 -5.489 2.492 698 HA LEU 112 HA LEU 112 -15.781 -5.576 2.980 699 HG LEU 112 HG LEU 112 -16.670 -4.691 0.091 700 HB2 LEU 112 HB2 LEU 112 -14.638 -3.637 2.062 701 HB3 LEU 112 HB3 LEU 112 -14.240 -4.528 0.606 702 HD11 LEU 112 HD11 LEU 112 -16.951 -2.759 2.391 703 HD12 LEU 112 HD12 LEU 112 -18.231 -3.253 1.285 704 HD13 LEU 112 HD13 LEU 112 -17.512 -4.432 2.385 705 HD21 LEU 112 HD23 LEU 112 -15.296 -2.962 -0.942 706 HD22 LEU 112 HD21 LEU 112 -16.917 -2.350 -0.604 707 HD23 LEU 112 HD22 LEU 112 -15.567 -1.900 0.438 708 H ASN 113 HN ASN 113 -13.806 -7.217 0.605 709 HA ASN 113 HA ASN 113 -16.103 -8.072 -0.978 710 HB2 ASN 113 HB2 ASN 113 -13.922 -7.228 -1.955 711 HB3 ASN 113 HB3 ASN 113 -13.185 -8.730 -1.412 712 HD21 ASN 113 HD21 ASN 113 -13.778 -10.680 -2.439 713 HD22 ASN 113 HD22 ASN 113 -14.557 -10.688 -3.978 714 H LYS 114 HN LYS 114 -14.038 -9.260 1.490 715 HA LYS 114 HA LYS 114 -15.597 -11.702 1.591 716 HB2 LYS 114 HB2 LYS 114 -13.613 -12.389 0.311 717 HB3 LYS 114 HB3 LYS 114 -12.567 -11.774 1.586 718 HG2 LYS 114 HG2 LYS 114 -13.733 -13.403 3.134 719 HG3 LYS 114 HG3 LYS 114 -14.446 -14.119 1.689 720 HD2 LYS 114 HD2 LYS 114 -12.237 -14.620 0.819 721 HD3 LYS 114 HD3 LYS 114 -11.491 -13.819 2.203 722 HE2 LYS 114 HE2 LYS 114 -11.472 -16.227 2.513 723 HE3 LYS 114 HE3 LYS 114 -12.524 -15.461 3.703 724 HZ1 LYS 114 HZ3 LYS 114 -14.374 -15.998 2.035 725 HZ2 LYS 114 HZ1 LYS 114 -13.738 -17.276 2.950 726 HZ3 LYS 114 HZ2 LYS 114 -13.264 -17.065 1.336 727 HA PRO 115 HA PRO 115 -15.075 -9.549 5.558 728 HB2 PRO 115 HB2 PRO 115 -17.534 -10.126 6.515 729 HB3 PRO 115 HB3 PRO 115 -17.246 -8.832 5.347 730 HG2 PRO 115 HG2 PRO 115 -18.246 -11.614 4.874 731 HG3 PRO 115 HG3 PRO 115 -18.824 -10.086 4.188 732 HD2 PRO 115 HD2 PRO 115 -17.169 -11.783 2.850 733 HD3 PRO 115 HD3 PRO 115 -17.162 -10.024 2.604 734 HA PRO 116 HA PRO 116 -13.868 -13.125 8.003 735 HB2 PRO 116 HB2 PRO 116 -13.788 -11.666 10.376 736 HB3 PRO 116 HB3 PRO 116 -12.439 -11.838 9.250 737 HG2 PRO 116 HG2 PRO 116 -14.411 -9.606 9.520 738 HG3 PRO 116 HG3 PRO 116 -12.668 -9.525 9.206 739 HD2 PRO 116 HD2 PRO 116 -14.439 -9.174 7.245 740 HD3 PRO 116 HD3 PRO 116 -12.929 -10.064 6.959 741 H GLU 117 HN GLU 117 -16.443 -10.860 8.713 742 HA GLU 117 HA GLU 117 -18.320 -12.904 9.255 743 HB2 GLU 117 HB2 GLU 117 -17.037 -12.866 11.416 744 HB3 GLU 117 HB3 GLU 117 -17.546 -11.198 11.632 745 HG2 GLU 117 HG2 GLU 117 -19.854 -11.873 11.775 746 HG3 GLU 117 HG3 GLU 117 -19.416 -13.545 11.415 747 H THR 118 HN THR 118 -20.443 -11.820 10.076 748 HA THR 118 HA THR 118 -21.083 -9.623 8.408 749 HB THR 118 HB THR 118 -23.211 -9.593 9.835 750 HG1 THR 118 HG1 THR 118 -22.019 -10.727 11.621 751 HG21 THR 118 HG23 THR 118 -23.066 -10.755 7.682 752 HG22 THR 118 HG21 THR 118 -24.040 -11.672 8.832 753 HG23 THR 118 HG22 THR 118 -22.382 -12.166 8.488 754 H LEU 119 HN LEU 119 -21.314 -7.446 8.866 755 HA LEU 119 HA LEU 119 -20.365 -6.578 11.507 756 HG LEU 119 HG LEU 119 -18.451 -6.503 9.275 757 HB2 LEU 119 HB2 LEU 119 -20.495 -5.119 8.869 758 HB3 LEU 119 HB3 LEU 119 -20.193 -4.301 10.391 759 HD11 LEU 119 HD11 LEU 119 -16.838 -4.697 8.819 760 HD12 LEU 119 HD12 LEU 119 -18.310 -4.549 7.857 761 HD13 LEU 119 HD13 LEU 119 -18.068 -3.513 9.263 762 HD21 LEU 119 HD23 LEU 119 -18.349 -6.391 11.679 763 HD22 LEU 119 HD21 LEU 119 -16.871 -5.706 11.005 764 HD23 LEU 119 HD22 LEU 119 -18.134 -4.642 11.626 765 H ILE 120 HN ILE 120 -22.248 -4.437 9.511 766 HA ILE 120 HA ILE 120 -24.642 -4.858 11.060 767 HB ILE 120 HB ILE 120 -24.636 -2.283 11.567 768 HG12 ILE 120 HG12 ILE 120 -22.309 -1.631 12.402 769 HG13 ILE 120 HG13 ILE 120 -21.692 -2.943 11.409 770 HG21 ILE 120 HG21 ILE 120 -23.204 -4.349 13.217 771 HG22 ILE 120 HG22 ILE 120 -23.752 -2.787 13.827 772 HG23 ILE 120 HG23 ILE 120 -24.924 -3.967 13.240 773 HD11 ILE 120 HD13 ILE 120 -22.643 -1.866 9.423 774 HD12 ILE 120 HD11 ILE 120 -23.209 -0.530 10.428 775 HD13 ILE 120 HD12 ILE 120 -21.480 -0.835 10.254 776 H THR 121 HN THR 121 -25.785 -2.328 10.550 777 HA THR 121 HA THR 121 -27.022 -2.837 8.121 778 HB THR 121 HB THR 121 -26.888 -0.051 9.242 779 HG1 THR 121 HG1 THR 121 -27.894 -0.660 11.048 780 HG21 THR 121 HG23 THR 121 -28.295 -0.445 7.291 781 HG22 THR 121 HG21 THR 121 -29.285 -0.082 8.708 782 HG23 THR 121 HG22 THR 121 -29.134 -1.746 8.138 783 H THR 122 HN THR 122 -26.863 -1.952 6.062 784 HA THR 122 HA THR 122 -24.597 -0.145 5.575 785 HB THR 122 HB THR 122 -24.207 -2.441 4.623 786 HG1 THR 122 HG1 THR 122 -23.116 -0.806 3.611 787 HG21 THR 122 HG23 THR 122 -26.495 -3.014 4.003 788 HG22 THR 122 HG21 THR 122 -25.441 -3.067 2.585 789 HG23 THR 122 HG22 THR 122 -26.521 -1.694 2.831 790 H ILE 123 HN ILE 123 -24.980 1.543 4.086 791 HA ILE 123 HA ILE 123 -27.784 1.897 3.271 792 HB ILE 123 HB ILE 123 -26.122 4.155 4.411 793 HG12 ILE 123 HG12 ILE 123 -27.967 4.027 6.268 794 HG13 ILE 123 HG13 ILE 123 -28.087 2.342 5.772 795 HG21 ILE 123 HG21 ILE 123 -28.230 5.384 4.419 796 HG22 ILE 123 HG22 ILE 123 -27.808 4.834 2.799 797 HG23 ILE 123 HG23 ILE 123 -29.053 3.990 3.723 798 HD11 ILE 123 HD13 ILE 123 -26.601 2.687 7.696 799 HD12 ILE 123 HD11 ILE 123 -25.770 1.982 6.312 800 HD13 ILE 123 HD12 ILE 123 -25.563 3.694 6.687 801 H ASP 124 HN ASP 124 -27.995 2.666 1.212 802 HA ASP 124 HA ASP 124 -25.934 2.919 -0.616 803 HB2 ASP 124 HB2 ASP 124 -28.578 4.408 -0.568 804 HB3 ASP 124 HB3 ASP 124 -27.522 4.286 -1.969 805 H SER 125 HN SER 125 -27.741 5.591 0.776 806 HA SER 125 HA SER 125 -25.383 7.061 1.511 807 HG SER 125 HG SER 125 -25.037 6.791 -0.848 808 HB2 SER 125 HB2 SER 125 -27.276 8.185 -0.583 809 HB3 SER 125 HB3 SER 125 -25.994 9.089 0.218 810 H SER 126 HN SER 126 -28.822 7.541 0.776 811 HA SER 126 HA SER 126 -29.731 7.206 3.387 812 HG SER 126 HG SER 126 -31.293 10.052 3.855 813 HB2 SER 126 HB2 SER 126 -28.588 9.368 3.827 814 HB3 SER 126 HB3 SER 126 -29.578 10.122 2.578 815 H SER 127 HN SER 127 -30.890 9.892 1.478 816 HA SER 127 HA SER 127 -33.122 8.234 0.545 817 HG SER 127 HG SER 127 -33.446 11.499 2.683 818 HB2 SER 127 HB2 SER 127 -33.987 10.852 0.403 819 HB3 SER 127 HB3 SER 127 -34.350 9.740 1.724 820 H SER 128 HN SER 128 -31.364 7.818 -1.115 821 HA SER 128 HA SER 128 -31.255 9.942 -3.135 822 HG SER 128 HG SER 128 -29.642 6.640 -2.724 823 HB2 SER 128 HB2 SER 128 -29.327 8.434 -4.009 824 HB3 SER 128 HB3 SER 128 -29.052 9.407 -2.564 825 HHA HEM 129 HHA HEM 129 -5.728 17.957 -5.599 826 HHB HEM 129 HHB HEM 129 -1.830 12.792 -5.672 827 HHC HEM 129 HHC HEM 129 -5.189 10.240 -0.858 828 HHD HEM 129 HHD HEM 129 -9.211 15.299 -0.879 829 HAB HEM 129 HAB HEM 129 -2.433 9.289 -0.899 830 HAC HEM 129 HAC HEM 129 -10.309 13.415 0.354 831 HMA1 HEM 129 HMA1 HEM 129 -1.460 15.971 -7.952 832 HMA2 HEM 129 HMA2 HEM 129 -0.694 15.162 -6.584 833 HMA3 HEM 129 HMA3 HEM 129 -1.565 14.220 -7.803 834 HAA1 HEM 129 HAA1 HEM 129 -3.199 18.001 -7.746 835 HAA2 HEM 129 HAA2 HEM 129 -3.437 16.646 -8.335 836 HBA1 HEM 129 HBA1 HEM 129 -5.326 18.209 -9.013 837 HBA2 HEM 129 HBA2 HEM 129 -6.075 16.885 -8.101 838 HMB1 HEM 129 HMB1 HEM 129 -0.154 10.932 -3.733 839 HMB2 HEM 129 HMB2 HEM 129 -1.131 9.971 -5.024 840 HMB3 HEM 129 HMB3 HEM 129 -1.087 9.790 -3.510 841 HBB1 HEM 129 HBB1 HEM 129 -3.712 8.057 -3.377 842 HBB2 HEM 129 HBB2 HEM 129 -2.880 7.184 -1.947 843 HMC1 HEM 129 HMC1 HEM 129 -6.858 10.416 1.452 844 HMC2 HEM 129 HMC2 HEM 129 -8.530 10.283 0.894 845 HMC3 HEM 129 HMC3 HEM 129 -7.169 9.589 -0.057 846 HBC1 HEM 129 HBC1 HEM 129 -10.381 12.731 2.617 847 HBC2 HEM 129 HBC2 HEM 129 -8.598 12.230 2.591 848 HMD1 HEM 129 HMD1 HEM 129 -9.734 17.443 -0.866 849 HMD2 HEM 129 HMD2 HEM 129 -9.876 18.826 -2.123 850 HMD3 HEM 129 HMD3 HEM 129 -8.662 18.418 -1.322 851 HAD1 HEM 129 HAD1 HEM 129 -8.189 19.865 -3.975 852 HAD2 HEM 129 HAD2 HEM 129 -7.055 19.177 -4.645 853 HBD1 HEM 129 HBD1 HEM 129 -7.463 18.329 -6.494 854 HBD2 HEM 129 HBD2 HEM 129 -8.024 20.017 -6.403
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