NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
279411 | 2kdl | 16116 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 1 1HT THR 1 -3.702 16.355 -8.470 2 H2 THR 1 2HT THR 1 -5.370 16.759 -8.474 3 H3 THR 1 3HT THR 1 -4.536 16.568 -6.988 4 HA THR 1 HA THR 1 -3.066 18.412 -7.758 5 HB THR 1 HB THR 1 -4.291 19.943 -9.363 6 HG1 THR 1 1HG THR 1 -5.887 19.001 -10.632 7 HG21 THR 1 1HG2 THR 1 -3.070 17.366 -10.145 8 HG22 THR 1 2HG2 THR 1 -2.575 19.019 -10.507 9 HG23 THR 1 3HG2 THR 1 -3.920 18.286 -11.384 10 H THR 2 H THR 2 -6.441 17.795 -7.142 11 HA THR 2 HA THR 2 -6.388 19.790 -5.012 12 HB THR 2 HB THR 2 -8.620 20.656 -5.688 13 HG1 THR 2 1HG THR 2 -8.126 19.311 -8.131 14 HG21 THR 2 3HG2 THR 2 -7.801 22.284 -7.001 15 HG22 THR 2 1HG2 THR 2 -7.038 21.151 -8.117 16 HG23 THR 2 2HG2 THR 2 -6.258 21.537 -6.583 17 H TYR 3 H TYR 3 -8.295 17.277 -6.648 18 HA TYR 3 HA TYR 3 -9.966 16.707 -4.441 19 HB2 TYR 3 2HB TYR 3 -10.371 14.527 -5.683 20 HB3 TYR 3 1HB TYR 3 -10.726 16.001 -6.574 21 HD1 TYR 3 1HD TYR 3 -7.918 13.593 -6.037 22 HD2 TYR 3 2HD TYR 3 -9.936 16.190 -8.738 23 HE1 TYR 3 1HE TYR 3 -6.441 12.842 -7.853 24 HE2 TYR 3 2HE TYR 3 -8.464 15.445 -10.561 25 HH TYR 3 HH TYR 3 -7.067 13.288 -11.037 26 H LYS 4 H LYS 4 -6.763 15.663 -5.327 27 HA LYS 4 HA LYS 4 -6.767 13.675 -3.166 28 HB2 LYS 4 2HB LYS 4 -4.602 12.937 -4.150 29 HB3 LYS 4 1HB LYS 4 -5.957 12.807 -5.263 30 HG2 LYS 4 2HG LYS 4 -5.209 14.530 -6.593 31 HG3 LYS 4 1HG LYS 4 -4.255 15.255 -5.297 32 HD2 LYS 4 2HD LYS 4 -3.449 12.536 -6.084 33 HD3 LYS 4 1HD LYS 4 -3.215 13.778 -7.317 34 HE2 LYS 4 2HE LYS 4 -2.313 14.272 -4.510 35 HE3 LYS 4 1HE LYS 4 -1.328 13.280 -5.586 36 HZ1 LYS 4 3HZ LYS 4 -0.817 15.737 -5.519 37 HZ2 LYS 4 1HZ LYS 4 -2.266 15.978 -6.358 38 HZ3 LYS 4 2HZ LYS 4 -1.027 15.063 -7.054 39 H LEU 5 H LEU 5 -4.499 13.523 -2.073 40 HA LEU 5 HA LEU 5 -2.940 15.820 -1.715 41 HB2 LEU 5 2HB LEU 5 -5.459 16.035 -0.533 42 HB3 LEU 5 1HB LEU 5 -4.376 15.662 0.795 43 HG LEU 5 HG LEU 5 -3.192 17.704 -0.842 44 HD11 LEU 5 1HD1 LEU 5 -5.090 18.682 -1.579 45 HD12 LEU 5 2HD1 LEU 5 -5.078 19.378 0.038 46 HD13 LEU 5 3HD1 LEU 5 -6.084 17.973 -0.307 47 HD21 LEU 5 3HD2 LEU 5 -4.265 18.373 1.809 48 HD22 LEU 5 1HD2 LEU 5 -2.632 18.550 1.164 49 HD23 LEU 5 2HD2 LEU 5 -3.184 16.981 1.757 50 H ILE 6 H ILE 6 -1.095 14.842 -1.219 51 HA ILE 6 HA ILE 6 -1.028 12.365 0.256 52 HB ILE 6 HB ILE 6 1.310 14.072 -0.607 53 HG12 ILE 6 2HG1 ILE 6 0.664 11.692 -2.201 54 HG13 ILE 6 1HG1 ILE 6 -0.551 12.962 -2.301 55 HG21 ILE 6 1HG2 ILE 6 2.529 11.919 -0.538 56 HG22 ILE 6 2HG2 ILE 6 1.085 11.157 0.130 57 HG23 ILE 6 3HG2 ILE 6 1.917 12.421 1.038 58 HD11 ILE 6 3HD1 ILE 6 1.057 13.199 -4.079 59 HD12 ILE 6 1HD1 ILE 6 2.381 13.243 -2.913 60 HD13 ILE 6 2HD1 ILE 6 1.200 14.553 -2.956 61 H LEU 7 H LEU 7 -0.877 12.190 2.404 62 HA LEU 7 HA LEU 7 -0.011 14.543 3.914 63 HB2 LEU 7 2HB LEU 7 -1.172 13.159 5.834 64 HB3 LEU 7 1HB LEU 7 -2.083 14.206 4.765 65 HG LEU 7 HG LEU 7 -3.170 12.024 5.217 66 HD11 LEU 7 1HD1 LEU 7 -2.810 11.689 2.391 67 HD12 LEU 7 2HD1 LEU 7 -2.925 13.402 2.801 68 HD13 LEU 7 3HD1 LEU 7 -4.207 12.289 3.283 69 HD21 LEU 7 3HD2 LEU 7 -0.785 10.883 5.039 70 HD22 LEU 7 1HD2 LEU 7 -1.299 10.655 3.372 71 HD23 LEU 7 2HD2 LEU 7 -2.272 10.011 4.693 72 H ASN 8 H ASN 8 0.611 11.164 3.368 73 HA ASN 8 HA ASN 8 3.207 11.234 4.338 74 HB2 ASN 8 2HB ASN 8 1.468 11.293 6.477 75 HB3 ASN 8 1HB ASN 8 1.857 9.581 6.346 76 HD21 ASN 8 1HD2 ASN 8 2.575 11.310 8.485 77 HD22 ASN 8 2HD2 ASN 8 4.301 11.383 8.543 78 H LEU 9 H LEU 9 4.195 9.634 3.326 79 HA LEU 9 HA LEU 9 2.656 7.367 2.353 80 HB2 LEU 9 2HB LEU 9 5.423 8.413 1.810 81 HB3 LEU 9 1HB LEU 9 4.959 6.786 1.322 82 HG LEU 9 HG LEU 9 4.740 8.317 -0.547 83 HD11 LEU 9 1HD1 LEU 9 2.660 6.680 0.471 84 HD12 LEU 9 2HD1 LEU 9 3.024 7.083 -1.206 85 HD13 LEU 9 3HD1 LEU 9 1.922 8.097 -0.276 86 HD21 LEU 9 3HD2 LEU 9 4.119 10.223 1.240 87 HD22 LEU 9 1HD2 LEU 9 2.506 9.824 0.653 88 HD23 LEU 9 2HD2 LEU 9 3.751 10.346 -0.481 89 H LYS 10 H LYS 10 5.397 8.118 4.393 90 HA LYS 10 HA LYS 10 6.376 5.687 5.124 91 HB2 LYS 10 2HB LYS 10 6.412 8.336 6.121 92 HB3 LYS 10 1HB LYS 10 6.086 7.271 7.485 93 HG2 LYS 10 2HG LYS 10 8.114 5.937 6.325 94 HG3 LYS 10 1HG LYS 10 8.526 7.588 5.869 95 HD2 LYS 10 2HD LYS 10 7.865 6.781 8.692 96 HD3 LYS 10 1HD LYS 10 9.507 6.750 8.047 97 HE2 LYS 10 2HE LYS 10 8.723 9.241 7.327 98 HE3 LYS 10 1HE LYS 10 7.818 9.029 8.823 99 HZ1 LYS 10 3HZ LYS 10 9.731 8.874 10.062 100 HZ2 LYS 10 1HZ LYS 10 10.217 9.981 8.879 101 HZ3 LYS 10 2HZ LYS 10 10.678 8.354 8.758 102 H GLN 11 H GLN 11 3.422 7.229 6.175 103 HA GLN 11 HA GLN 11 2.751 5.309 8.176 104 HB2 GLN 11 2HB GLN 11 1.857 7.547 8.321 105 HB3 GLN 11 1HB GLN 11 1.132 7.411 6.732 106 HG2 GLN 11 2HG GLN 11 -0.664 7.118 8.155 107 HG3 GLN 11 1HG GLN 11 -0.207 5.461 7.765 108 HE21 GLN 11 1HE2 GLN 11 -1.714 6.085 9.988 109 HE22 GLN 11 2HE2 GLN 11 -0.785 5.764 11.411 110 H ALA 12 H ALA 12 1.901 5.830 4.798 111 HA ALA 12 HA ALA 12 -0.009 3.742 4.620 112 HB1 ALA 12 1HB ALA 12 1.558 4.543 2.225 113 HB2 ALA 12 2HB ALA 12 0.563 5.767 3.014 114 HB3 ALA 12 3HB ALA 12 -0.178 4.286 2.408 115 H LYS 13 H LYS 13 3.449 3.934 3.807 116 HA LYS 13 HA LYS 13 3.622 1.249 2.897 117 HB2 LYS 13 2HB LYS 13 6.108 1.594 3.189 118 HB3 LYS 13 1HB LYS 13 5.294 2.734 2.127 119 HG2 LYS 13 2HG LYS 13 6.293 4.337 3.284 120 HG3 LYS 13 1HG LYS 13 5.183 3.958 4.601 121 HD2 LYS 13 2HD LYS 13 7.368 3.916 5.523 122 HD3 LYS 13 1HD LYS 13 6.859 2.235 5.362 123 HE2 LYS 13 2HE LYS 13 8.961 2.091 4.480 124 HE3 LYS 13 1HE LYS 13 8.046 2.461 3.018 125 HZ1 LYS 13 3HZ LYS 13 9.921 3.875 3.047 126 HZ2 LYS 13 1HZ LYS 13 9.665 4.327 4.659 127 HZ3 LYS 13 2HZ LYS 13 8.599 4.848 3.455 128 H GLU 14 H GLU 14 4.618 2.771 5.971 129 HA GLU 14 HA GLU 14 5.612 0.557 7.274 130 HB2 GLU 14 2HB GLU 14 4.056 2.903 8.362 131 HB3 GLU 14 1HB GLU 14 4.722 1.656 9.406 132 HG2 GLU 14 2HG GLU 14 6.675 2.715 7.530 133 HG3 GLU 14 1HG GLU 14 5.998 3.942 8.594 134 H GLU 15 H GLU 15 2.261 1.484 6.779 135 HA GLU 15 HA GLU 15 1.146 -0.530 8.458 136 HB2 GLU 15 2HB GLU 15 0.046 1.248 6.297 137 HB3 GLU 15 1HB GLU 15 -0.941 -0.028 6.999 138 HG2 GLU 15 2HG GLU 15 0.283 2.319 8.425 139 HG3 GLU 15 1HG GLU 15 -1.426 2.026 8.115 140 H ALA 16 H ALA 16 2.118 -0.354 5.102 141 HA ALA 16 HA ALA 16 0.831 -2.597 4.073 142 HB1 ALA 16 1HB ALA 16 2.522 -2.608 2.348 143 HB2 ALA 16 2HB ALA 16 3.587 -1.612 3.341 144 HB3 ALA 16 3HB ALA 16 2.074 -0.944 2.724 145 H ILE 17 H ILE 17 3.924 -2.339 5.779 146 HA ILE 17 HA ILE 17 4.538 -5.122 5.562 147 HB ILE 17 HB ILE 17 5.650 -3.205 7.624 148 HG12 ILE 17 2HG1 ILE 17 7.624 -3.245 5.893 149 HG13 ILE 17 1HG1 ILE 17 6.368 -3.673 4.739 150 HG21 ILE 17 1HG2 ILE 17 5.985 -5.613 8.042 151 HG22 ILE 17 2HG2 ILE 17 7.491 -4.736 7.768 152 HG23 ILE 17 3HG2 ILE 17 6.811 -5.740 6.488 153 HD11 ILE 17 3HD1 ILE 17 5.699 -1.574 4.590 154 HD12 ILE 17 1HD1 ILE 17 7.120 -1.130 5.535 155 HD13 ILE 17 2HD1 ILE 17 5.577 -1.418 6.342 156 H LYS 18 H LYS 18 3.356 -3.105 8.218 157 HA LYS 18 HA LYS 18 3.052 -5.038 10.172 158 HB2 LYS 18 2HB LYS 18 2.839 -2.630 10.600 159 HB3 LYS 18 1HB LYS 18 1.336 -2.595 9.691 160 HG2 LYS 18 2HG LYS 18 0.683 -2.638 11.929 161 HG3 LYS 18 1HG LYS 18 0.468 -4.298 11.368 162 HD2 LYS 18 2HD LYS 18 1.652 -4.863 13.188 163 HD3 LYS 18 1HD LYS 18 3.053 -4.324 12.261 164 HE2 LYS 18 2HE LYS 18 1.911 -2.019 13.402 165 HE3 LYS 18 1HE LYS 18 1.944 -3.240 14.672 166 HZ1 LYS 18 3HZ LYS 18 4.034 -2.501 14.925 167 HZ2 LYS 18 1HZ LYS 18 4.138 -1.875 13.356 168 HZ3 LYS 18 2HZ LYS 18 4.377 -3.528 13.627 169 H GLU 19 H GLU 19 0.684 -3.925 7.751 170 HA GLU 19 HA GLU 19 -1.409 -5.614 8.527 171 HB2 GLU 19 2HB GLU 19 -0.715 -4.612 5.753 172 HB3 GLU 19 1HB GLU 19 -2.250 -5.339 6.205 173 HG2 GLU 19 2HG GLU 19 -1.318 -2.990 7.756 174 HG3 GLU 19 1HG GLU 19 -1.905 -2.724 6.115 175 H LEU 20 H LEU 20 1.285 -6.096 6.284 176 HA LEU 20 HA LEU 20 0.577 -8.719 5.502 177 HB2 LEU 20 2HB LEU 20 2.548 -6.880 4.870 178 HB3 LEU 20 1HB LEU 20 3.444 -8.182 5.636 179 HG LEU 20 HG LEU 20 2.004 -9.675 3.971 180 HD11 LEU 20 1HD1 LEU 20 0.665 -8.348 2.762 181 HD12 LEU 20 2HD1 LEU 20 2.123 -8.069 1.801 182 HD13 LEU 20 3HD1 LEU 20 1.643 -6.908 3.051 183 HD21 LEU 20 3HD2 LEU 20 4.161 -8.229 2.565 184 HD22 LEU 20 1HD2 LEU 20 3.932 -9.955 2.832 185 HD23 LEU 20 2HD2 LEU 20 4.589 -8.943 4.118 186 H VAL 21 H VAL 21 2.246 -7.315 8.220 187 HA VAL 21 HA VAL 21 3.310 -9.742 9.239 188 HB VAL 21 HB VAL 21 2.829 -7.208 10.805 189 HG11 VAL 21 1HG1 VAL 21 5.096 -8.962 11.441 190 HG12 VAL 21 2HG1 VAL 21 3.501 -9.649 11.757 191 HG13 VAL 21 3HG1 VAL 21 3.964 -8.122 12.505 192 HG21 VAL 21 3HG2 VAL 21 4.428 -6.240 9.592 193 HG22 VAL 21 1HG2 VAL 21 4.630 -7.705 8.635 194 HG23 VAL 21 2HG2 VAL 21 5.550 -7.491 10.123 195 H ASP 22 H ASP 22 0.346 -7.928 9.726 196 HA ASP 22 HA ASP 22 -0.523 -9.658 11.887 197 HB2 ASP 22 2HB ASP 22 -1.519 -7.174 10.603 198 HB3 ASP 22 1HB ASP 22 -2.726 -8.226 11.335 199 H ALA 23 H ALA 23 -0.929 -9.394 8.450 200 HA ALA 23 HA ALA 23 -3.126 -11.331 8.477 201 HB1 ALA 23 1HB ALA 23 -3.660 -9.589 7.030 202 HB2 ALA 23 2HB ALA 23 -3.059 -10.845 5.948 203 HB3 ALA 23 3HB ALA 23 -2.021 -9.490 6.387 204 H GLY 24 H GLY 24 -0.097 -10.856 6.638 205 HA2 GLY 24 2HA GLY 24 1.585 -12.437 6.262 206 HA3 GLY 24 1HA GLY 24 0.556 -13.668 6.996 207 H THR 25 H THR 25 0.670 -11.559 4.132 208 HA THR 25 HA THR 25 -0.363 -13.820 2.544 209 HB THR 25 HB THR 25 -1.969 -11.920 2.810 210 HG1 THR 25 1HG THR 25 -2.646 -12.467 0.915 211 HG21 THR 25 3HG2 THR 25 -0.068 -10.398 1.046 212 HG22 THR 25 1HG2 THR 25 -0.288 -10.090 2.768 213 HG23 THR 25 2HG2 THR 25 -1.635 -9.863 1.654 214 H ALA 26 H ALA 26 -0.030 -12.914 0.058 215 HA ALA 26 HA ALA 26 2.618 -13.467 -0.545 216 HB1 ALA 26 1HB ALA 26 0.340 -13.236 -1.963 217 HB2 ALA 26 2HB ALA 26 1.945 -13.346 -2.691 218 HB3 ALA 26 3HB ALA 26 1.179 -11.769 -2.472 219 H GLU 27 H GLU 27 4.174 -12.262 0.427 220 HA GLU 27 HA GLU 27 4.132 -9.527 0.918 221 HB2 GLU 27 2HB GLU 27 6.629 -11.105 0.301 222 HB3 GLU 27 1HB GLU 27 6.483 -9.678 1.318 223 HG2 GLU 27 2HG GLU 27 6.037 -10.912 3.104 224 HG3 GLU 27 1HG GLU 27 4.755 -11.780 2.258 225 H LYS 28 H LYS 28 4.884 -11.265 -2.018 226 HA LYS 28 HA LYS 28 6.370 -9.507 -3.483 227 HB2 LYS 28 2HB LYS 28 3.928 -10.929 -4.554 228 HB3 LYS 28 1HB LYS 28 5.327 -10.394 -5.476 229 HG2 LYS 28 2HG LYS 28 6.269 -12.358 -5.160 230 HG3 LYS 28 1HG LYS 28 6.279 -12.067 -3.419 231 HD2 LYS 28 2HD LYS 28 5.150 -14.155 -3.893 232 HD3 LYS 28 1HD LYS 28 3.987 -12.973 -3.283 233 HE2 LYS 28 2HE LYS 28 2.862 -12.888 -5.232 234 HE3 LYS 28 1HE LYS 28 4.321 -13.032 -6.208 235 HZ1 LYS 28 3HZ LYS 28 2.520 -14.959 -5.999 236 HZ2 LYS 28 1HZ LYS 28 3.524 -15.397 -4.709 237 HZ3 LYS 28 2HZ LYS 28 4.163 -15.270 -6.269 238 H TYR 29 H TYR 29 2.991 -9.239 -2.606 239 HA TYR 29 HA TYR 29 2.444 -6.992 -4.276 240 HB2 TYR 29 2HB TYR 29 0.990 -8.659 -2.413 241 HB3 TYR 29 1HB TYR 29 0.622 -6.952 -2.142 242 HD1 TYR 29 2HD TYR 29 0.340 -5.676 -4.579 243 HD2 TYR 29 1HD TYR 29 -0.449 -9.759 -3.718 244 HE1 TYR 29 2HE TYR 29 -1.215 -5.772 -6.480 245 HE2 TYR 29 1HE TYR 29 -1.993 -9.871 -5.602 246 HH TYR 29 HH TYR 29 -2.179 -7.464 -7.989 247 H ILE 30 H ILE 30 3.387 -7.418 -0.882 248 HA ILE 30 HA ILE 30 3.154 -4.726 -0.119 249 HB ILE 30 HB ILE 30 3.541 -6.759 1.397 250 HG12 ILE 30 2HG1 ILE 30 3.421 -4.495 2.295 251 HG13 ILE 30 1HG1 ILE 30 4.651 -5.426 3.140 252 HG21 ILE 30 1HG2 ILE 30 5.423 -7.895 1.094 253 HG22 ILE 30 2HG2 ILE 30 6.239 -6.568 1.915 254 HG23 ILE 30 3HG2 ILE 30 6.159 -6.598 0.159 255 HD11 ILE 30 3HD1 ILE 30 5.829 -3.535 2.836 256 HD12 ILE 30 1HD1 ILE 30 4.924 -3.067 1.397 257 HD13 ILE 30 2HD1 ILE 30 6.190 -4.290 1.284 258 H LYS 31 H LYS 31 5.602 -6.480 -1.867 259 HA LYS 31 HA LYS 31 7.633 -4.493 -1.738 260 HB2 LYS 31 2HB LYS 31 8.050 -6.876 -2.332 261 HB3 LYS 31 1HB LYS 31 7.190 -6.615 -3.851 262 HG2 LYS 31 2HG LYS 31 8.948 -5.623 -4.812 263 HG3 LYS 31 1HG LYS 31 9.356 -4.708 -3.359 264 HD2 LYS 31 2HD LYS 31 11.143 -6.077 -3.301 265 HD3 LYS 31 1HD LYS 31 10.005 -7.214 -2.574 266 HE2 LYS 31 2HE LYS 31 10.532 -8.609 -4.231 267 HE3 LYS 31 1HE LYS 31 9.615 -7.540 -5.293 268 HZ1 LYS 31 3HZ LYS 31 11.557 -7.450 -6.391 269 HZ2 LYS 31 1HZ LYS 31 12.487 -7.896 -5.046 270 HZ3 LYS 31 2HZ LYS 31 11.968 -6.293 -5.229 271 H LEU 32 H LEU 32 4.842 -5.074 -3.744 272 HA LEU 32 HA LEU 32 5.486 -3.277 -5.841 273 HB2 LEU 32 2HB LEU 32 3.494 -5.125 -5.362 274 HB3 LEU 32 1HB LEU 32 2.629 -3.597 -5.252 275 HG LEU 32 HG LEU 32 4.395 -4.183 -7.610 276 HD11 LEU 32 1HD1 LEU 32 1.552 -5.075 -7.180 277 HD12 LEU 32 2HD1 LEU 32 2.954 -6.076 -7.560 278 HD13 LEU 32 3HD1 LEU 32 2.316 -4.959 -8.768 279 HD21 LEU 32 3HD2 LEU 32 3.777 -2.017 -7.843 280 HD22 LEU 32 1HD2 LEU 32 2.330 -2.207 -6.854 281 HD23 LEU 32 2HD2 LEU 32 2.331 -2.756 -8.531 282 H ILE 33 H ILE 33 3.998 -2.913 -2.693 283 HA ILE 33 HA ILE 33 3.009 -0.271 -3.170 284 HB ILE 33 HB ILE 33 2.219 -0.254 -1.003 285 HG12 ILE 33 2HG1 ILE 33 3.365 -2.128 0.614 286 HG13 ILE 33 1HG1 ILE 33 4.744 -1.642 -0.365 287 HG21 ILE 33 1HG2 ILE 33 2.430 -3.208 -1.069 288 HG22 ILE 33 2HG2 ILE 33 1.669 -2.404 -2.442 289 HG23 ILE 33 3HG2 ILE 33 1.024 -2.175 -0.816 290 HD11 ILE 33 3HD1 ILE 33 4.694 -0.318 1.619 291 HD12 ILE 33 1HD1 ILE 33 3.014 0.134 1.330 292 HD13 ILE 33 2HD1 ILE 33 4.281 0.710 0.247 293 H ALA 34 H ALA 34 6.010 -1.626 -2.025 294 HA ALA 34 HA ALA 34 7.153 0.493 -0.682 295 HB1 ALA 34 1HB ALA 34 8.169 -1.805 -2.215 296 HB2 ALA 34 2HB ALA 34 8.591 -1.237 -0.598 297 HB3 ALA 34 3HB ALA 34 9.300 -0.466 -2.018 298 H ASN 35 H ASN 35 6.514 0.160 -4.084 299 HA ASN 35 HA ASN 35 8.112 2.516 -4.733 300 HB2 ASN 35 2HB ASN 35 7.499 0.186 -6.135 301 HB3 ASN 35 1HB ASN 35 6.541 1.438 -6.929 302 HD21 ASN 35 1HD2 ASN 35 9.143 -0.155 -7.451 303 HD22 ASN 35 2HD2 ASN 35 10.217 1.063 -8.046 304 H ALA 36 H ALA 36 4.932 1.739 -3.865 305 HA ALA 36 HA ALA 36 3.282 3.343 -5.329 306 HB1 ALA 36 1HB ALA 36 2.860 1.840 -3.218 307 HB2 ALA 36 2HB ALA 36 1.749 3.142 -3.643 308 HB3 ALA 36 3HB ALA 36 2.949 3.385 -2.373 309 H LYS 37 H LYS 37 2.935 5.461 -5.605 310 HA LYS 37 HA LYS 37 4.634 7.319 -4.080 311 HB2 LYS 37 2HB LYS 37 4.776 7.205 -6.638 312 HB3 LYS 37 1HB LYS 37 3.189 7.981 -6.647 313 HG2 LYS 37 2HG LYS 37 4.498 9.653 -5.010 314 HG3 LYS 37 1HG LYS 37 5.843 9.088 -6.000 315 HD2 LYS 37 2HD LYS 37 4.942 9.956 -7.948 316 HD3 LYS 37 1HD LYS 37 3.297 9.968 -7.299 317 HE2 LYS 37 2HE LYS 37 4.246 11.720 -5.637 318 HE3 LYS 37 1HE LYS 37 5.545 11.890 -6.815 319 HZ1 LYS 37 3HZ LYS 37 3.416 12.059 -8.398 320 HZ2 LYS 37 1HZ LYS 37 4.145 13.403 -7.677 321 HZ3 LYS 37 2HZ LYS 37 2.768 12.722 -6.981 322 H THR 38 H THR 38 1.341 6.580 -4.958 323 HA THR 38 HA THR 38 0.354 8.957 -3.573 324 HB THR 38 HB THR 38 -1.909 7.926 -4.363 325 HG1 THR 38 1HG THR 38 -1.768 6.478 -5.982 326 HG21 THR 38 3HG2 THR 38 -1.281 9.905 -5.415 327 HG22 THR 38 1HG2 THR 38 -1.502 8.755 -6.733 328 HG23 THR 38 2HG2 THR 38 0.124 9.161 -6.179 329 H VAL 39 H VAL 39 -0.749 8.890 -1.669 330 HA VAL 39 HA VAL 39 -0.283 6.834 0.145 331 HB VAL 39 HB VAL 39 -2.101 7.871 1.524 332 HG11 VAL 39 1HG1 VAL 39 0.402 8.920 0.758 333 HG12 VAL 39 2HG1 VAL 39 -0.489 9.210 2.252 334 HG13 VAL 39 3HG1 VAL 39 -0.710 10.284 0.870 335 HG21 VAL 39 3HG2 VAL 39 -2.624 9.201 -1.056 336 HG22 VAL 39 1HG2 VAL 39 -2.697 10.232 0.373 337 HG23 VAL 39 2HG2 VAL 39 -3.725 8.801 0.262 338 H GLU 40 H GLU 40 -3.097 7.431 -1.912 339 HA GLU 40 HA GLU 40 -4.701 5.361 -0.825 340 HB2 GLU 40 2HB GLU 40 -5.365 7.386 -2.318 341 HB3 GLU 40 1HB GLU 40 -4.960 6.322 -3.656 342 HG2 GLU 40 2HG GLU 40 -6.945 5.368 -3.526 343 HG3 GLU 40 1HG GLU 40 -6.629 4.890 -1.860 344 H GLY 41 H GLY 41 -2.505 5.523 -3.598 345 HA2 GLY 41 2HA GLY 41 -3.028 3.006 -4.692 346 HA3 GLY 41 1HA GLY 41 -1.506 3.869 -4.836 347 H VAL 42 H VAL 42 -1.112 3.904 -1.912 348 HA VAL 42 HA VAL 42 0.168 1.328 -1.721 349 HB VAL 42 HB VAL 42 0.096 3.076 0.679 350 HG11 VAL 42 1HG1 VAL 42 1.468 0.979 0.423 351 HG12 VAL 42 2HG1 VAL 42 2.360 2.417 0.916 352 HG13 VAL 42 3HG1 VAL 42 2.448 1.859 -0.755 353 HG21 VAL 42 3HG2 VAL 42 1.001 4.033 -1.966 354 HG22 VAL 42 1HG2 VAL 42 2.091 4.325 -0.611 355 HG23 VAL 42 2HG2 VAL 42 0.439 4.938 -0.559 356 H TRP 43 H TRP 43 -2.310 3.076 0.149 357 HA TRP 43 HA TRP 43 -2.897 1.043 1.976 358 HB2 TRP 43 2HB TRP 43 -4.090 3.557 1.149 359 HB3 TRP 43 1HB TRP 43 -5.325 2.354 1.478 360 HD1 TRP 43 HD TRP 43 -5.536 1.432 3.968 361 HE1 TRP 43 1HE TRP 43 -4.798 2.404 6.228 362 HE3 TRP 43 3HE TRP 43 -2.203 4.973 2.313 363 HZ2 TRP 43 2HZ TRP 43 -3.055 4.391 7.189 364 HZ3 TRP 43 3HZ TRP 43 -1.058 6.360 3.981 365 HH2 TRP 43 HH TRP 43 -1.472 6.076 6.365 366 H THR 44 H THR 44 -3.908 1.552 -1.327 367 HA THR 44 HA THR 44 -6.014 -0.371 -1.310 368 HB THR 44 HB THR 44 -4.478 0.783 -3.643 369 HG1 THR 44 1HG THR 44 -5.626 2.288 -2.232 370 HG21 THR 44 3HG2 THR 44 -6.810 0.375 -4.725 371 HG22 THR 44 1HG2 THR 44 -6.948 -0.866 -3.480 372 HG23 THR 44 2HG2 THR 44 -5.624 -0.927 -4.643 373 H LEU 45 H LEU 45 -2.612 -0.435 -2.308 374 HA LEU 45 HA LEU 45 -2.594 -2.968 -3.476 375 HB2 LEU 45 2HB LEU 45 -0.391 -1.529 -1.999 376 HB3 LEU 45 1HB LEU 45 -0.158 -2.993 -2.934 377 HD11 LEU 45 1HD2 LEU 45 1.521 -0.746 -4.409 378 HD12 LEU 45 2HD2 LEU 45 0.850 -0.182 -2.881 379 HD13 LEU 45 3HD2 LEU 45 0.425 0.635 -4.385 380 HD21 LEU 45 3HD1 LEU 45 -0.479 -1.580 -6.221 381 HD22 LEU 45 1HD1 LEU 45 -1.052 -2.963 -5.289 382 HD23 LEU 45 2HD1 LEU 45 0.665 -2.560 -5.308 383 H LYS 46 H LYS 46 -1.863 -2.089 -0.084 384 HA LYS 46 HA LYS 46 -1.398 -4.715 0.809 385 HB2 LYS 46 2HB LYS 46 -1.835 -3.797 3.078 386 HB3 LYS 46 1HB LYS 46 -0.692 -2.839 2.147 387 HG2 LYS 46 2HG LYS 46 -2.631 -1.334 1.555 388 HG3 LYS 46 1HG LYS 46 -3.556 -2.205 2.777 389 HD2 LYS 46 2HD LYS 46 -1.514 -1.653 4.306 390 HD3 LYS 46 1HD LYS 46 -1.202 -0.396 3.109 391 HE2 LYS 46 2HE LYS 46 -2.598 0.847 4.346 392 HE3 LYS 46 1HE LYS 46 -3.871 -0.083 3.555 393 HZ1 LYS 46 3HZ LYS 46 -3.510 -1.712 5.490 394 HZ2 LYS 46 1HZ LYS 46 -4.371 -0.287 5.786 395 HZ3 LYS 46 2HZ LYS 46 -2.751 -0.412 6.262 396 H ASP 47 H ASP 47 -4.339 -2.704 1.002 397 HA ASP 47 HA ASP 47 -5.972 -4.691 2.153 398 HB2 ASP 47 2HB ASP 47 -6.373 -2.141 1.953 399 HB3 ASP 47 1HB ASP 47 -7.035 -2.518 0.365 400 H GLU 48 H GLU 48 -5.109 -3.936 -1.146 401 HA GLU 48 HA GLU 48 -7.092 -5.342 -2.514 402 HB2 GLU 48 2HB GLU 48 -4.364 -4.381 -3.126 403 HB3 GLU 48 1HB GLU 48 -4.943 -5.703 -4.130 404 HG2 GLU 48 2HG GLU 48 -6.929 -4.383 -4.700 405 HG3 GLU 48 1HG GLU 48 -6.306 -3.049 -3.731 406 H ILE 49 H ILE 49 -4.152 -6.431 -0.944 407 HA ILE 49 HA ILE 49 -4.328 -9.107 -1.980 408 HB ILE 49 HB ILE 49 -2.788 -8.396 0.493 409 HG12 ILE 49 2HG1 ILE 49 -1.241 -8.188 -1.965 410 HG13 ILE 49 1HG1 ILE 49 -2.501 -6.963 -1.876 411 HG21 ILE 49 1HG2 ILE 49 -2.468 -10.388 -1.735 412 HG22 ILE 49 2HG2 ILE 49 -2.776 -10.702 -0.028 413 HG23 ILE 49 3HG2 ILE 49 -1.212 -10.070 -0.539 414 HD11 ILE 49 3HD1 ILE 49 -0.825 -5.859 -0.824 415 HD12 ILE 49 1HD1 ILE 49 -0.091 -7.336 -0.201 416 HD13 ILE 49 2HD1 ILE 49 -1.535 -6.678 0.567 417 H LYS 50 H LYS 50 -5.376 -7.400 0.899 418 HA LYS 50 HA LYS 50 -5.989 -9.573 2.544 419 HB2 LYS 50 2HB LYS 50 -7.533 -6.982 2.349 420 HB3 LYS 50 1HB LYS 50 -7.496 -8.079 3.722 421 HG2 LYS 50 2HG LYS 50 -5.200 -6.444 2.669 422 HG3 LYS 50 1HG LYS 50 -6.099 -6.174 4.164 423 HD2 LYS 50 2HD LYS 50 -5.352 -8.448 4.913 424 HD3 LYS 50 1HD LYS 50 -4.302 -8.499 3.495 425 HE2 LYS 50 2HE LYS 50 -2.779 -7.591 4.876 426 HE3 LYS 50 1HE LYS 50 -3.639 -6.088 4.542 427 HZ1 LYS 50 3HZ LYS 50 -3.331 -7.414 6.998 428 HZ2 LYS 50 1HZ LYS 50 -4.979 -7.381 6.618 429 HZ3 LYS 50 2HZ LYS 50 -4.096 -5.939 6.687 430 H THR 51 H THR 51 -7.707 -8.194 -0.170 431 HA THR 51 HA THR 51 -10.002 -9.942 0.279 432 HB THR 51 HB THR 51 -9.816 -8.206 -2.131 433 HG1 THR 51 1HG THR 51 -10.004 -7.252 0.522 434 HG21 THR 51 3HG2 THR 51 -12.146 -7.830 -0.527 435 HG22 THR 51 1HG2 THR 51 -11.863 -9.553 -0.771 436 HG23 THR 51 2HG2 THR 51 -12.005 -8.479 -2.162 437 H PHE 52 H PHE 52 -7.128 -9.751 -1.607 438 HA PHE 52 HA PHE 52 -6.174 -11.191 -3.085 439 HB2 PHE 52 2HB PHE 52 -7.648 -12.821 -1.452 440 HB3 PHE 52 1HB PHE 52 -8.289 -13.229 -3.041 441 HD1 PHE 52 1HD PHE 52 -6.844 -14.214 -4.747 442 HD2 PHE 52 2HD PHE 52 -5.407 -13.385 -0.829 443 HE1 PHE 52 1HE PHE 52 -4.905 -15.670 -5.157 444 HE2 PHE 52 2HE PHE 52 -3.463 -14.840 -1.230 445 HZ PHE 52 HZ PHE 52 -3.211 -15.983 -3.396 446 H THR 53 H THR 53 -8.385 -9.271 -3.801 447 HA THR 53 HA THR 53 -9.611 -8.641 -5.613 448 HB THR 53 HB THR 53 -8.598 -8.992 -7.737 449 HG1 THR 53 1HG THR 53 -7.092 -11.128 -6.656 450 HG21 THR 53 3HG2 THR 53 -6.066 -8.963 -7.159 451 HG22 THR 53 1HG2 THR 53 -6.642 -8.841 -5.497 452 HG23 THR 53 2HG2 THR 53 -7.099 -7.617 -6.680 453 H VAL 54 H VAL 54 -10.428 -9.817 -7.917 454 HA VAL 54 HA VAL 54 -11.536 -12.434 -7.366 455 HB VAL 54 HB VAL 54 -13.888 -11.658 -7.793 456 HG11 VAL 54 1HG1 VAL 54 -14.292 -10.976 -5.489 457 HG12 VAL 54 2HG1 VAL 54 -12.578 -10.609 -5.285 458 HG13 VAL 54 3HG1 VAL 54 -13.097 -12.272 -5.557 459 HG21 VAL 54 3HG2 VAL 54 -14.012 -9.115 -6.895 460 HG22 VAL 54 1HG2 VAL 54 -13.986 -9.555 -8.603 461 HG23 VAL 54 2HG2 VAL 54 -12.497 -9.061 -7.799 462 H THR 55 H THR 55 -10.636 -13.209 -9.229 463 HA THR 55 HA THR 55 -10.436 -13.679 -11.445 464 HB THR 55 HB THR 55 -12.989 -12.079 -11.700 465 HG1 THR 55 1HG THR 55 -13.052 -13.908 -10.242 466 HG21 THR 55 3HG2 THR 55 -13.394 -13.094 -13.742 467 HG22 THR 55 1HG2 THR 55 -12.166 -14.332 -13.480 468 HG23 THR 55 2HG2 THR 55 -11.682 -12.671 -13.825 469 H GLU 56 H GLU 56 -8.533 -12.362 -11.515 470 HA GLU 56 HA GLU 56 -8.766 -10.215 -13.441 471 HB2 GLU 56 2HB GLU 56 -9.057 -9.045 -11.292 472 HB3 GLU 56 1HB GLU 56 -7.531 -9.711 -10.726 473 HG2 GLU 56 2HG GLU 56 -7.047 -7.523 -11.393 474 HG3 GLU 56 1HG GLU 56 -6.453 -8.549 -12.698 Start of MODEL 2 1 H1 THR 1 1HT THR 1 -5.156 24.955 -3.305 2 H2 THR 1 2HT THR 1 -4.751 23.735 -2.168 3 H3 THR 1 3HT THR 1 -5.533 25.174 -1.648 4 HA THR 1 HA THR 1 -6.933 23.152 -1.825 5 HB THR 1 HB THR 1 -8.652 24.603 -3.247 6 HG1 THR 1 1HG THR 1 -8.051 26.737 -3.339 7 HG21 THR 1 1HG2 THR 1 -8.107 24.410 -0.582 8 HG22 THR 1 2HG2 THR 1 -9.448 25.305 -1.294 9 HG23 THR 1 3HG2 THR 1 -7.952 26.143 -0.884 10 H THR 2 H THR 2 -6.257 24.727 -4.955 11 HA THR 2 HA THR 2 -7.398 22.621 -6.486 12 HB THR 2 HB THR 2 -7.264 24.874 -7.386 13 HG1 THR 2 1HG THR 2 -6.580 24.320 -9.398 14 HG21 THR 2 3HG2 THR 2 -5.471 26.103 -6.949 15 HG22 THR 2 1HG2 THR 2 -4.699 25.243 -8.277 16 HG23 THR 2 2HG2 THR 2 -4.474 24.686 -6.622 17 H TYR 3 H TYR 3 -4.207 23.272 -5.237 18 HA TYR 3 HA TYR 3 -3.103 21.009 -6.743 19 HB2 TYR 3 2HB TYR 3 -1.885 23.343 -5.306 20 HB3 TYR 3 1HB TYR 3 -0.927 21.894 -5.593 21 HD1 TYR 3 1HD TYR 3 -1.074 21.013 -8.115 22 HD2 TYR 3 2HD TYR 3 -1.770 25.023 -6.875 23 HE1 TYR 3 1HE TYR 3 -0.569 21.795 -10.386 24 HE2 TYR 3 2HE TYR 3 -1.267 25.817 -9.143 25 HH TYR 3 HH TYR 3 -1.076 23.763 -11.817 26 H LYS 4 H LYS 4 -1.596 19.564 -5.530 27 HA LYS 4 HA LYS 4 -2.525 19.111 -2.772 28 HB2 LYS 4 2HB LYS 4 -2.484 16.717 -3.152 29 HB3 LYS 4 1HB LYS 4 -3.534 17.481 -4.336 30 HG2 LYS 4 2HG LYS 4 -2.248 16.868 -6.069 31 HG3 LYS 4 1HG LYS 4 -0.743 17.141 -5.186 32 HD2 LYS 4 2HD LYS 4 -0.645 14.874 -5.308 33 HD3 LYS 4 1HD LYS 4 -1.630 15.005 -3.849 34 HE2 LYS 4 2HE LYS 4 -2.702 13.416 -5.233 35 HE3 LYS 4 1HE LYS 4 -3.655 14.898 -5.349 36 HZ1 LYS 4 3HZ LYS 4 -1.782 13.772 -7.346 37 HZ2 LYS 4 1HZ LYS 4 -2.317 15.376 -7.418 38 HZ3 LYS 4 2HZ LYS 4 -3.430 14.108 -7.530 39 H LEU 5 H LEU 5 -0.922 17.055 -2.038 40 HA LEU 5 HA LEU 5 1.814 17.487 -2.730 41 HB2 LEU 5 2HB LEU 5 0.761 19.324 -0.983 42 HB3 LEU 5 1HB LEU 5 1.498 18.152 0.099 43 HG LEU 5 HG LEU 5 3.519 18.489 -1.666 44 HD11 LEU 5 1HD1 LEU 5 2.117 21.155 -1.499 45 HD12 LEU 5 2HD1 LEU 5 2.328 20.178 -2.950 46 HD13 LEU 5 3HD1 LEU 5 3.732 20.876 -2.151 47 HD21 LEU 5 3HD2 LEU 5 4.142 20.429 0.085 48 HD22 LEU 5 1HD2 LEU 5 4.200 18.710 0.481 49 HD23 LEU 5 2HD2 LEU 5 2.801 19.676 0.946 50 H ILE 6 H ILE 6 3.200 16.472 -0.756 51 HA ILE 6 HA ILE 6 2.423 13.743 -0.668 52 HB ILE 6 HB ILE 6 4.576 15.064 0.977 53 HG12 ILE 6 2HG1 ILE 6 5.327 13.642 -1.489 54 HG13 ILE 6 1HG1 ILE 6 4.448 15.147 -1.748 55 HG21 ILE 6 1HG2 ILE 6 5.556 12.908 1.149 56 HG22 ILE 6 2HG2 ILE 6 4.419 12.231 -0.014 57 HG23 ILE 6 3HG2 ILE 6 3.850 12.733 1.572 58 HD11 ILE 6 3HD1 ILE 6 6.266 16.323 -1.343 59 HD12 ILE 6 1HD1 ILE 6 7.172 14.814 -1.239 60 HD13 ILE 6 2HD1 ILE 6 6.484 15.531 0.217 61 H LEU 7 H LEU 7 0.807 13.039 0.567 62 HA LEU 7 HA LEU 7 -0.020 14.364 2.959 63 HB2 LEU 7 2HB LEU 7 -0.920 12.077 1.337 64 HB3 LEU 7 1HB LEU 7 -1.274 11.946 3.049 65 HG LEU 7 HG LEU 7 -3.163 12.907 1.879 66 HD11 LEU 7 1HD1 LEU 7 -3.628 14.459 3.460 67 HD12 LEU 7 2HD1 LEU 7 -2.094 15.298 3.241 68 HD13 LEU 7 3HD1 LEU 7 -2.156 13.806 4.178 69 HD21 LEU 7 3HD2 LEU 7 -1.393 14.027 0.192 70 HD22 LEU 7 1HD2 LEU 7 -1.764 15.417 1.213 71 HD23 LEU 7 2HD2 LEU 7 -3.061 14.575 0.361 72 H ASN 8 H ASN 8 0.639 10.888 2.716 73 HA ASN 8 HA ASN 8 2.784 10.915 4.587 74 HB2 ASN 8 2HB ASN 8 0.120 10.902 5.654 75 HB3 ASN 8 1HB ASN 8 0.885 9.357 6.006 76 HD21 ASN 8 1HD2 ASN 8 0.781 12.698 6.706 77 HD22 ASN 8 2HD2 ASN 8 1.987 12.706 7.940 78 H LEU 9 H LEU 9 3.896 9.509 3.337 79 HA LEU 9 HA LEU 9 2.631 7.065 2.388 80 HB2 LEU 9 2HB LEU 9 5.277 8.395 1.912 81 HB3 LEU 9 1HB LEU 9 5.090 6.678 1.565 82 HG LEU 9 HG LEU 9 4.755 7.868 -0.475 83 HD11 LEU 9 1HD1 LEU 9 3.150 5.990 0.211 84 HD12 LEU 9 2HD1 LEU 9 2.698 7.011 -1.155 85 HD13 LEU 9 3HD1 LEU 9 1.959 7.274 0.425 86 HD21 LEU 9 3HD2 LEU 9 2.837 9.534 -0.615 87 HD22 LEU 9 1HD2 LEU 9 4.306 10.073 0.201 88 HD23 LEU 9 2HD2 LEU 9 2.899 9.587 1.146 89 H LYS 10 H LYS 10 5.234 8.114 4.489 90 HA LYS 10 HA LYS 10 6.331 5.800 5.399 91 HB2 LYS 10 2HB LYS 10 6.194 8.488 6.216 92 HB3 LYS 10 1HB LYS 10 5.794 7.534 7.640 93 HG2 LYS 10 2HG LYS 10 8.015 6.290 6.430 94 HG3 LYS 10 1HG LYS 10 8.347 8.029 6.466 95 HD2 LYS 10 2HD LYS 10 9.126 7.429 8.534 96 HD3 LYS 10 1HD LYS 10 7.448 7.804 8.932 97 HE2 LYS 10 2HE LYS 10 8.012 5.028 8.091 98 HE3 LYS 10 1HE LYS 10 8.668 5.521 9.652 99 HZ1 LYS 10 3HZ LYS 10 6.218 4.575 9.348 100 HZ2 LYS 10 1HZ LYS 10 5.893 6.223 9.139 101 HZ3 LYS 10 2HZ LYS 10 6.624 5.677 10.559 102 H GLN 11 H GLN 11 3.237 7.191 6.248 103 HA GLN 11 HA GLN 11 2.630 5.255 8.282 104 HB2 GLN 11 2HB GLN 11 1.675 7.460 8.463 105 HB3 GLN 11 1HB GLN 11 0.962 7.338 6.868 106 HG2 GLN 11 2HG GLN 11 -0.785 6.101 7.601 107 HG3 GLN 11 1HG GLN 11 0.173 5.277 8.829 108 HE21 GLN 11 1HE2 GLN 11 -2.160 7.595 8.257 109 HE22 GLN 11 2HE2 GLN 11 -2.159 8.361 9.805 110 H ALA 12 H ALA 12 1.806 5.794 4.897 111 HA ALA 12 HA ALA 12 -0.092 3.711 4.660 112 HB1 ALA 12 1HB ALA 12 0.607 5.726 3.057 113 HB2 ALA 12 2HB ALA 12 -0.203 4.277 2.460 114 HB3 ALA 12 3HB ALA 12 1.545 4.440 2.298 115 H LYS 13 H LYS 13 3.384 3.868 3.913 116 HA LYS 13 HA LYS 13 3.565 1.162 3.073 117 HB2 LYS 13 2HB LYS 13 6.083 1.569 3.577 118 HB3 LYS 13 1HB LYS 13 5.315 2.450 2.266 119 HG2 LYS 13 2HG LYS 13 5.529 4.444 3.298 120 HG3 LYS 13 1HG LYS 13 5.285 3.765 4.906 121 HD2 LYS 13 2HD LYS 13 7.484 4.051 5.189 122 HD3 LYS 13 1HD LYS 13 7.675 2.653 4.130 123 HE2 LYS 13 2HE LYS 13 8.748 3.934 2.669 124 HE3 LYS 13 1HE LYS 13 7.285 4.897 2.464 125 HZ1 LYS 13 3HZ LYS 13 9.073 6.327 3.091 126 HZ2 LYS 13 1HZ LYS 13 9.457 5.362 4.426 127 HZ3 LYS 13 2HZ LYS 13 8.005 6.228 4.398 128 H GLU 14 H GLU 14 4.218 2.795 6.145 129 HA GLU 14 HA GLU 14 5.314 0.703 7.589 130 HB2 GLU 14 2HB GLU 14 5.128 2.962 8.533 131 HB3 GLU 14 1HB GLU 14 3.376 2.797 8.618 132 HG2 GLU 14 2HG GLU 14 3.449 1.452 10.439 133 HG3 GLU 14 1HG GLU 14 5.009 0.755 10.004 134 H GLU 15 H GLU 15 1.928 1.368 6.878 135 HA GLU 15 HA GLU 15 0.909 -0.771 8.475 136 HB2 GLU 15 2HB GLU 15 -0.218 1.417 7.342 137 HB3 GLU 15 1HB GLU 15 -0.703 0.184 6.187 138 HG2 GLU 15 2HG GLU 15 -2.203 -0.697 7.578 139 HG3 GLU 15 1HG GLU 15 -1.114 -0.602 8.963 140 H ALA 16 H ALA 16 1.950 -0.401 5.156 141 HA ALA 16 HA ALA 16 0.841 -2.645 3.975 142 HB1 ALA 16 1HB ALA 16 3.591 -1.518 3.458 143 HB2 ALA 16 2HB ALA 16 2.088 -0.911 2.759 144 HB3 ALA 16 3HB ALA 16 2.651 -2.536 2.365 145 H ILE 17 H ILE 17 3.903 -2.390 5.768 146 HA ILE 17 HA ILE 17 4.487 -5.186 5.518 147 HB ILE 17 HB ILE 17 5.684 -3.279 7.539 148 HG12 ILE 17 2HG1 ILE 17 7.610 -3.355 5.758 149 HG13 ILE 17 1HG1 ILE 17 6.320 -3.777 4.641 150 HG21 ILE 17 1HG2 ILE 17 6.790 -5.831 6.383 151 HG22 ILE 17 2HG2 ILE 17 5.985 -5.700 7.947 152 HG23 ILE 17 3HG2 ILE 17 7.497 -4.837 7.659 153 HD11 ILE 17 3HD1 ILE 17 5.622 -1.680 4.520 154 HD12 ILE 17 1HD1 ILE 17 7.122 -1.243 5.338 155 HD13 ILE 17 2HD1 ILE 17 5.644 -1.486 6.272 156 H LYS 18 H LYS 18 3.415 -3.146 8.205 157 HA LYS 18 HA LYS 18 3.162 -5.051 10.185 158 HB2 LYS 18 2HB LYS 18 2.948 -2.641 10.589 159 HB3 LYS 18 1HB LYS 18 1.422 -2.623 9.714 160 HG2 LYS 18 2HG LYS 18 0.709 -2.682 11.892 161 HG3 LYS 18 1HG LYS 18 0.701 -4.396 11.475 162 HD2 LYS 18 2HD LYS 18 2.048 -4.772 13.206 163 HD3 LYS 18 1HD LYS 18 3.296 -3.827 12.393 164 HE2 LYS 18 2HE LYS 18 1.993 -1.795 13.399 165 HE3 LYS 18 1HE LYS 18 1.372 -3.003 14.523 166 HZ1 LYS 18 3HZ LYS 18 4.145 -2.075 14.154 167 HZ2 LYS 18 1HZ LYS 18 3.841 -3.602 14.817 168 HZ3 LYS 18 2HZ LYS 18 3.247 -2.218 15.578 169 H GLU 19 H GLU 19 0.704 -3.990 7.830 170 HA GLU 19 HA GLU 19 -1.332 -5.705 8.713 171 HB2 GLU 19 2HB GLU 19 -0.796 -4.660 5.919 172 HB3 GLU 19 1HB GLU 19 -2.287 -5.437 6.427 173 HG2 GLU 19 2HG GLU 19 -1.306 -3.038 7.897 174 HG3 GLU 19 1HG GLU 19 -2.118 -2.846 6.344 175 H LEU 20 H LEU 20 1.252 -6.130 6.336 176 HA LEU 20 HA LEU 20 0.542 -8.757 5.564 177 HB2 LEU 20 2HB LEU 20 2.452 -6.886 4.857 178 HB3 LEU 20 1HB LEU 20 3.406 -8.175 5.574 179 HG LEU 20 HG LEU 20 1.897 -9.672 3.957 180 HD11 LEU 20 1HD1 LEU 20 1.494 -6.906 3.080 181 HD12 LEU 20 2HD1 LEU 20 0.534 -8.355 2.780 182 HD13 LEU 20 3HD1 LEU 20 1.971 -8.034 1.799 183 HD21 LEU 20 3HD2 LEU 20 3.958 -8.337 2.389 184 HD22 LEU 20 1HD2 LEU 20 3.841 -10.010 2.916 185 HD23 LEU 20 2HD2 LEU 20 4.506 -8.790 4.000 186 H VAL 21 H VAL 21 2.301 -7.358 8.230 187 HA VAL 21 HA VAL 21 3.450 -9.793 9.166 188 HB VAL 21 HB VAL 21 3.014 -7.276 10.786 189 HG11 VAL 21 1HG1 VAL 21 4.269 -8.201 12.407 190 HG12 VAL 21 2HG1 VAL 21 5.332 -9.027 11.266 191 HG13 VAL 21 3HG1 VAL 21 3.765 -9.725 11.672 192 HG21 VAL 21 3HG2 VAL 21 5.703 -7.501 9.969 193 HG22 VAL 21 1HG2 VAL 21 4.534 -6.277 9.504 194 HG23 VAL 21 2HG2 VAL 21 4.725 -7.732 8.525 195 H ASP 22 H ASP 22 0.502 -7.993 9.816 196 HA ASP 22 HA ASP 22 -0.272 -9.551 12.082 197 HB2 ASP 22 2HB ASP 22 -1.553 -7.468 10.385 198 HB3 ASP 22 1HB ASP 22 -2.593 -8.484 11.380 199 H ALA 23 H ALA 23 -0.399 -10.062 8.703 200 HA ALA 23 HA ALA 23 -2.162 -12.378 9.131 201 HB1 ALA 23 1HB ALA 23 -2.182 -10.526 6.757 202 HB2 ALA 23 2HB ALA 23 -3.444 -10.691 7.978 203 HB3 ALA 23 3HB ALA 23 -3.099 -12.028 6.883 204 H GLY 24 H GLY 24 -0.289 -11.096 6.392 205 HA2 GLY 24 2HA GLY 24 1.960 -12.329 6.130 206 HA3 GLY 24 1HA GLY 24 0.926 -13.757 6.079 207 H THR 25 H THR 25 -0.462 -14.070 4.301 208 HA THR 25 HA THR 25 -0.816 -14.196 2.054 209 HB THR 25 HB THR 25 -1.915 -11.976 3.015 210 HG1 THR 25 1HG THR 25 -1.848 -12.404 0.226 211 HG21 THR 25 3HG2 THR 25 -1.488 -10.070 1.574 212 HG22 THR 25 1HG2 THR 25 -0.148 -10.929 0.814 213 HG23 THR 25 2HG2 THR 25 -0.060 -10.484 2.518 214 H ALA 26 H ALA 26 -0.194 -13.073 -0.178 215 HA ALA 26 HA ALA 26 2.519 -13.622 -0.600 216 HB1 ALA 26 1HB ALA 26 2.047 -13.390 -2.799 217 HB2 ALA 26 2HB ALA 26 1.162 -11.887 -2.557 218 HB3 ALA 26 3HB ALA 26 0.384 -13.432 -2.212 219 H GLU 27 H GLU 27 4.090 -12.436 0.291 220 HA GLU 27 HA GLU 27 3.857 -9.702 0.953 221 HB2 GLU 27 2HB GLU 27 6.519 -11.004 0.474 222 HB3 GLU 27 1HB GLU 27 6.070 -9.820 1.693 223 HG2 GLU 27 2HG GLU 27 4.515 -11.806 2.509 224 HG3 GLU 27 1HG GLU 27 5.750 -12.764 1.692 225 H LYS 28 H LYS 28 4.899 -11.347 -1.942 226 HA LYS 28 HA LYS 28 6.450 -9.564 -3.270 227 HB2 LYS 28 2HB LYS 28 4.067 -10.931 -4.531 228 HB3 LYS 28 1HB LYS 28 5.521 -10.378 -5.352 229 HG2 LYS 28 2HG LYS 28 5.369 -12.586 -3.311 230 HG3 LYS 28 1HG LYS 28 5.522 -12.792 -5.054 231 HD2 LYS 28 2HD LYS 28 7.534 -11.143 -3.590 232 HD3 LYS 28 1HD LYS 28 7.638 -12.903 -3.521 233 HE2 LYS 28 2HE LYS 28 7.907 -13.075 -5.858 234 HE3 LYS 28 1HE LYS 28 7.409 -11.408 -6.117 235 HZ1 LYS 28 3HZ LYS 28 9.426 -10.669 -5.015 236 HZ2 LYS 28 1HZ LYS 28 9.801 -11.663 -6.333 237 HZ3 LYS 28 2HZ LYS 28 9.907 -12.271 -4.758 238 H TYR 29 H TYR 29 3.017 -9.274 -2.608 239 HA TYR 29 HA TYR 29 2.559 -7.030 -4.282 240 HB2 TYR 29 2HB TYR 29 0.995 -8.694 -2.661 241 HB3 TYR 29 1HB TYR 29 0.816 -7.079 -1.973 242 HD1 TYR 29 2HD TYR 29 0.584 -5.235 -4.033 243 HD2 TYR 29 1HD TYR 29 -0.618 -9.309 -4.076 244 HE1 TYR 29 2HE TYR 29 -1.051 -4.730 -5.798 245 HE2 TYR 29 1HE TYR 29 -2.242 -8.823 -5.830 246 HH TYR 29 HH TYR 29 -2.669 -7.182 -7.560 247 H ILE 30 H ILE 30 3.391 -7.366 -0.837 248 HA ILE 30 HA ILE 30 3.233 -4.666 -0.144 249 HB ILE 30 HB ILE 30 3.648 -6.687 1.401 250 HG12 ILE 30 2HG1 ILE 30 3.518 -4.385 2.244 251 HG13 ILE 30 1HG1 ILE 30 4.737 -5.307 3.113 252 HG21 ILE 30 1HG2 ILE 30 6.483 -6.179 1.595 253 HG22 ILE 30 2HG2 ILE 30 6.049 -6.825 0.017 254 HG23 ILE 30 3HG2 ILE 30 5.616 -7.708 1.476 255 HD11 ILE 30 3HD1 ILE 30 6.282 -4.222 1.222 256 HD12 ILE 30 1HD1 ILE 30 5.949 -3.450 2.771 257 HD13 ILE 30 2HD1 ILE 30 5.036 -2.980 1.339 258 H LYS 31 H LYS 31 5.647 -6.472 -1.878 259 HA LYS 31 HA LYS 31 7.707 -4.519 -1.818 260 HB2 LYS 31 2HB LYS 31 8.112 -6.886 -2.396 261 HB3 LYS 31 1HB LYS 31 7.155 -6.683 -3.862 262 HG2 LYS 31 2HG LYS 31 9.130 -6.303 -4.838 263 HG3 LYS 31 1HG LYS 31 8.981 -4.689 -4.138 264 HD2 LYS 31 2HD LYS 31 10.042 -6.235 -2.086 265 HD3 LYS 31 1HD LYS 31 10.867 -6.807 -3.537 266 HE2 LYS 31 2HE LYS 31 10.644 -3.920 -2.693 267 HE3 LYS 31 1HE LYS 31 12.045 -4.941 -2.421 268 HZ1 LYS 31 3HZ LYS 31 11.044 -3.808 -4.927 269 HZ2 LYS 31 1HZ LYS 31 11.878 -5.279 -4.984 270 HZ3 LYS 31 2HZ LYS 31 12.631 -3.905 -4.351 271 H LEU 32 H LEU 32 4.861 -5.066 -3.750 272 HA LEU 32 HA LEU 32 5.500 -3.262 -5.857 273 HB2 LEU 32 2HB LEU 32 3.537 -5.146 -5.404 274 HB3 LEU 32 1HB LEU 32 2.646 -3.635 -5.277 275 HG LEU 32 HG LEU 32 3.849 -3.082 -7.549 276 HD11 LEU 32 1HD1 LEU 32 3.603 -5.967 -8.100 277 HD12 LEU 32 2HD1 LEU 32 5.015 -5.473 -7.165 278 HD13 LEU 32 3HD1 LEU 32 4.722 -4.773 -8.758 279 HD21 LEU 32 3HD2 LEU 32 1.852 -3.469 -8.537 280 HD22 LEU 32 1HD2 LEU 32 1.347 -3.754 -6.870 281 HD23 LEU 32 2HD2 LEU 32 1.739 -5.117 -7.920 282 H ILE 33 H ILE 33 3.994 -2.929 -2.710 283 HA ILE 33 HA ILE 33 2.943 -0.321 -3.190 284 HB ILE 33 HB ILE 33 2.193 -0.286 -1.005 285 HG12 ILE 33 2HG1 ILE 33 3.379 -2.223 0.547 286 HG13 ILE 33 1HG1 ILE 33 4.732 -1.627 -0.405 287 HG21 ILE 33 1HG2 ILE 33 2.366 -3.233 -1.066 288 HG22 ILE 33 2HG2 ILE 33 1.646 -2.440 -2.466 289 HG23 ILE 33 3HG2 ILE 33 0.968 -2.179 -0.858 290 HD11 ILE 33 3HD1 ILE 33 4.299 0.634 0.351 291 HD12 ILE 33 1HD1 ILE 33 4.519 -0.455 1.721 292 HD13 ILE 33 2HD1 ILE 33 2.900 0.072 1.265 293 H ALA 34 H ALA 34 5.998 -1.559 -2.066 294 HA ALA 34 HA ALA 34 7.074 0.601 -0.735 295 HB1 ALA 34 1HB ALA 34 8.671 -1.017 -2.700 296 HB2 ALA 34 2HB ALA 34 8.112 -1.682 -1.164 297 HB3 ALA 34 3HB ALA 34 9.201 -0.295 -1.181 298 H ASN 35 H ASN 35 6.399 0.264 -4.128 299 HA ASN 35 HA ASN 35 7.741 2.827 -4.676 300 HB2 ASN 35 2HB ASN 35 7.521 0.343 -6.168 301 HB3 ASN 35 1HB ASN 35 6.984 1.726 -7.127 302 HD21 ASN 35 1HD2 ASN 35 9.517 -0.133 -6.678 303 HD22 ASN 35 2HD2 ASN 35 10.807 0.991 -6.902 304 H ALA 36 H ALA 36 4.767 1.616 -3.980 305 HA ALA 36 HA ALA 36 2.847 2.382 -5.648 306 HB1 ALA 36 1HB ALA 36 1.444 2.959 -3.750 307 HB2 ALA 36 2HB ALA 36 2.872 3.104 -2.726 308 HB3 ALA 36 3HB ALA 36 2.426 1.536 -3.401 309 H LYS 37 H LYS 37 4.842 4.636 -3.815 310 HA LYS 37 HA LYS 37 5.223 6.864 -4.036 311 HB2 LYS 37 2HB LYS 37 3.868 6.362 -6.682 312 HB3 LYS 37 1HB LYS 37 4.441 7.960 -6.208 313 HG2 LYS 37 2HG LYS 37 6.389 5.766 -5.952 314 HG3 LYS 37 1HG LYS 37 5.904 6.190 -7.600 315 HD2 LYS 37 2HD LYS 37 6.788 8.252 -5.593 316 HD3 LYS 37 1HD LYS 37 7.922 7.413 -6.653 317 HE2 LYS 37 2HE LYS 37 5.610 9.166 -7.469 318 HE3 LYS 37 1HE LYS 37 7.333 9.513 -7.666 319 HZ1 LYS 37 3HZ LYS 37 5.587 7.828 -9.257 320 HZ2 LYS 37 1HZ LYS 37 7.132 7.203 -8.970 321 HZ3 LYS 37 2HZ LYS 37 6.954 8.710 -9.714 322 H THR 38 H THR 38 1.993 6.453 -5.503 323 HA THR 38 HA THR 38 0.942 8.723 -4.128 324 HB THR 38 HB THR 38 -1.292 7.604 -4.971 325 HG1 THR 38 1HG THR 38 0.509 6.380 -6.758 326 HG21 THR 38 3HG2 THR 38 0.817 8.900 -6.639 327 HG22 THR 38 1HG2 THR 38 -0.725 9.546 -6.077 328 HG23 THR 38 2HG2 THR 38 -0.691 8.342 -7.367 329 H VAL 39 H VAL 39 -0.142 8.843 -2.249 330 HA VAL 39 HA VAL 39 0.099 6.893 -0.289 331 HB VAL 39 HB VAL 39 -2.086 8.975 -0.365 332 HG11 VAL 39 1HG1 VAL 39 -2.169 8.796 1.963 333 HG12 VAL 39 2HG1 VAL 39 -0.618 7.960 2.045 334 HG13 VAL 39 3HG1 VAL 39 -2.037 7.126 1.411 335 HG21 VAL 39 3HG2 VAL 39 -0.259 10.318 -0.726 336 HG22 VAL 39 1HG2 VAL 39 0.847 9.223 0.104 337 HG23 VAL 39 2HG2 VAL 39 -0.256 10.233 1.036 338 H GLU 40 H GLU 40 -2.817 7.719 -2.173 339 HA GLU 40 HA GLU 40 -4.492 5.770 -1.083 340 HB2 GLU 40 2HB GLU 40 -4.940 7.784 -2.730 341 HB3 GLU 40 1HB GLU 40 -4.770 6.537 -3.958 342 HG2 GLU 40 2HG GLU 40 -7.065 6.684 -3.510 343 HG3 GLU 40 1HG GLU 40 -6.515 5.228 -2.686 344 H GLY 41 H GLY 41 -2.255 5.607 -3.814 345 HA2 GLY 41 2HA GLY 41 -3.035 3.097 -4.806 346 HA3 GLY 41 1HA GLY 41 -1.451 3.826 -5.017 347 H VAL 42 H VAL 42 -1.061 3.943 -2.058 348 HA VAL 42 HA VAL 42 0.084 1.313 -1.801 349 HB VAL 42 HB VAL 42 0.053 3.090 0.577 350 HG11 VAL 42 1HG1 VAL 42 2.318 2.365 0.812 351 HG12 VAL 42 2HG1 VAL 42 2.341 1.716 -0.828 352 HG13 VAL 42 3HG1 VAL 42 1.339 0.955 0.413 353 HG21 VAL 42 3HG2 VAL 42 1.070 3.964 -2.062 354 HG22 VAL 42 1HG2 VAL 42 2.105 4.262 -0.665 355 HG23 VAL 42 2HG2 VAL 42 0.468 4.916 -0.705 356 H TRP 43 H TRP 43 -2.348 3.191 0.002 357 HA TRP 43 HA TRP 43 -3.047 1.270 1.887 358 HB2 TRP 43 2HB TRP 43 -4.212 3.724 0.837 359 HB3 TRP 43 1HB TRP 43 -5.445 2.546 1.249 360 HD1 TRP 43 HD TRP 43 -5.745 1.889 3.797 361 HE1 TRP 43 1HE TRP 43 -5.014 3.031 5.980 362 HE3 TRP 43 3HE TRP 43 -2.264 5.160 1.907 363 HZ2 TRP 43 2HZ TRP 43 -3.220 5.037 6.799 364 HZ3 TRP 43 3HZ TRP 43 -1.098 6.649 3.471 365 HH2 TRP 43 HH TRP 43 -1.565 6.590 5.863 366 H THR 44 H THR 44 -3.958 1.591 -1.470 367 HA THR 44 HA THR 44 -6.059 -0.335 -1.404 368 HB THR 44 HB THR 44 -5.942 -0.214 -3.862 369 HG1 THR 44 1HG THR 44 -4.304 0.699 -4.870 370 HG21 THR 44 3HG2 THR 44 -6.394 2.023 -2.146 371 HG22 THR 44 1HG2 THR 44 -7.180 1.601 -3.668 372 HG23 THR 44 2HG2 THR 44 -5.705 2.568 -3.677 373 H LEU 45 H LEU 45 -2.705 -0.435 -2.619 374 HA LEU 45 HA LEU 45 -2.606 -3.002 -3.557 375 HB2 LEU 45 2HB LEU 45 -0.462 -1.495 -2.063 376 HB3 LEU 45 1HB LEU 45 -0.187 -2.976 -2.964 377 HD11 LEU 45 1HD2 LEU 45 0.605 0.444 -4.686 378 HD12 LEU 45 2HD2 LEU 45 1.542 -1.028 -4.424 379 HD13 LEU 45 3HD2 LEU 45 0.863 -0.158 -3.048 380 HD21 LEU 45 3HD1 LEU 45 -1.404 -2.808 -5.410 381 HD22 LEU 45 1HD1 LEU 45 0.361 -2.793 -5.359 382 HD23 LEU 45 2HD1 LEU 45 -0.506 -1.577 -6.296 383 H LYS 46 H LYS 46 -1.957 -2.038 -0.165 384 HA LYS 46 HA LYS 46 -1.538 -4.667 0.780 385 HB2 LYS 46 2HB LYS 46 -2.040 -3.664 3.034 386 HB3 LYS 46 1HB LYS 46 -0.770 -2.860 2.126 387 HG2 LYS 46 2HG LYS 46 -1.852 -0.980 2.632 388 HG3 LYS 46 1HG LYS 46 -2.988 -1.453 1.371 389 HD2 LYS 46 2HD LYS 46 -4.526 -2.305 2.913 390 HD3 LYS 46 1HD LYS 46 -3.317 -2.410 4.195 391 HE2 LYS 46 2HE LYS 46 -4.282 0.185 3.005 392 HE3 LYS 46 1HE LYS 46 -4.977 -0.548 4.450 393 HZ1 LYS 46 3HZ LYS 46 -3.221 0.044 5.696 394 HZ2 LYS 46 1HZ LYS 46 -2.971 1.205 4.492 395 HZ3 LYS 46 2HZ LYS 46 -2.093 -0.240 4.469 396 H ASP 47 H ASP 47 -4.419 -2.592 0.739 397 HA ASP 47 HA ASP 47 -6.146 -4.451 1.989 398 HB2 ASP 47 2HB ASP 47 -6.334 -1.821 1.389 399 HB3 ASP 47 1HB ASP 47 -7.336 -2.502 0.111 400 H GLU 48 H GLU 48 -5.025 -4.089 -1.262 401 HA GLU 48 HA GLU 48 -7.148 -5.483 -2.546 402 HB2 GLU 48 2HB GLU 48 -4.983 -4.002 -3.399 403 HB3 GLU 48 1HB GLU 48 -4.545 -5.636 -3.874 404 HG2 GLU 48 2HG GLU 48 -6.516 -5.863 -5.188 405 HG3 GLU 48 1HG GLU 48 -7.176 -4.355 -4.559 406 H ILE 49 H ILE 49 -4.174 -6.443 -0.980 407 HA ILE 49 HA ILE 49 -4.242 -9.126 -2.016 408 HB ILE 49 HB ILE 49 -2.717 -8.369 0.449 409 HG12 ILE 49 2HG1 ILE 49 -1.197 -8.072 -2.018 410 HG13 ILE 49 1HG1 ILE 49 -2.499 -6.895 -1.901 411 HG21 ILE 49 1HG2 ILE 49 -2.620 -10.664 -0.102 412 HG22 ILE 49 2HG2 ILE 49 -1.082 -9.964 -0.606 413 HG23 ILE 49 3HG2 ILE 49 -2.326 -10.318 -1.805 414 HD11 ILE 49 3HD1 ILE 49 -0.069 -7.216 -0.239 415 HD12 ILE 49 1HD1 ILE 49 -1.530 -6.600 0.532 416 HD13 ILE 49 2HD1 ILE 49 -0.839 -5.753 -0.853 417 H LYS 50 H LYS 50 -5.245 -7.491 0.943 418 HA LYS 50 HA LYS 50 -5.915 -9.905 2.323 419 HB2 LYS 50 2HB LYS 50 -6.042 -7.036 2.854 420 HB3 LYS 50 1HB LYS 50 -7.396 -7.920 3.538 421 HG2 LYS 50 2HG LYS 50 -5.981 -8.147 5.273 422 HG3 LYS 50 1HG LYS 50 -5.395 -9.515 4.322 423 HD2 LYS 50 2HD LYS 50 -3.404 -8.477 4.703 424 HD3 LYS 50 1HD LYS 50 -3.884 -7.609 3.243 425 HE2 LYS 50 2HE LYS 50 -4.028 -6.707 6.103 426 HE3 LYS 50 1HE LYS 50 -3.199 -5.942 4.748 427 HZ1 LYS 50 3HZ LYS 50 -5.348 -5.422 3.774 428 HZ2 LYS 50 1HZ LYS 50 -5.216 -4.756 5.324 429 HZ3 LYS 50 2HZ LYS 50 -6.144 -6.150 5.078 430 H THR 51 H THR 51 -7.552 -7.833 0.075 431 HA THR 51 HA THR 51 -10.117 -9.144 0.615 432 HB THR 51 HB THR 51 -11.049 -7.435 -0.935 433 HG1 THR 51 1HG THR 51 -9.681 -5.750 -1.590 434 HG21 THR 51 3HG2 THR 51 -11.201 -5.811 0.619 435 HG22 THR 51 1HG2 THR 51 -9.464 -5.790 0.930 436 HG23 THR 51 2HG2 THR 51 -10.472 -7.054 1.637 437 H PHE 52 H PHE 52 -7.706 -8.681 -1.912 438 HA PHE 52 HA PHE 52 -7.306 -9.755 -3.875 439 HB2 PHE 52 2HB PHE 52 -7.735 -11.706 -2.061 440 HB3 PHE 52 1HB PHE 52 -9.025 -12.070 -3.202 441 HD1 PHE 52 1HD PHE 52 -5.369 -11.620 -2.888 442 HD2 PHE 52 2HD PHE 52 -8.573 -13.131 -5.245 443 HE1 PHE 52 1HE PHE 52 -3.752 -12.776 -4.337 444 HE2 PHE 52 2HE PHE 52 -6.962 -14.291 -6.699 445 HZ PHE 52 HZ PHE 52 -4.547 -14.114 -6.245 446 H THR 53 H THR 53 -9.800 -8.127 -3.494 447 HA THR 53 HA THR 53 -11.816 -9.322 -5.135 448 HB THR 53 HB THR 53 -12.472 -7.695 -3.481 449 HG1 THR 53 1HG THR 53 -13.832 -7.569 -5.175 450 HG21 THR 53 3HG2 THR 53 -11.731 -5.219 -4.515 451 HG22 THR 53 1HG2 THR 53 -10.252 -6.180 -4.487 452 HG23 THR 53 2HG2 THR 53 -11.189 -5.960 -3.009 453 H VAL 54 H VAL 54 -11.286 -9.774 -7.190 454 HA VAL 54 HA VAL 54 -11.022 -7.722 -9.094 455 HB VAL 54 HB VAL 54 -8.736 -7.541 -8.198 456 HG11 VAL 54 1HG1 VAL 54 -7.859 -10.105 -9.338 457 HG12 VAL 54 2HG1 VAL 54 -8.818 -10.222 -7.865 458 HG13 VAL 54 3HG1 VAL 54 -7.334 -9.271 -7.875 459 HG21 VAL 54 3HG2 VAL 54 -9.353 -8.262 -10.982 460 HG22 VAL 54 1HG2 VAL 54 -7.645 -8.329 -10.546 461 HG23 VAL 54 2HG2 VAL 54 -8.552 -6.834 -10.327 462 H THR 55 H THR 55 -11.504 -8.475 -11.096 463 HA THR 55 HA THR 55 -12.529 -11.059 -11.408 464 HB THR 55 HB THR 55 -13.224 -9.147 -12.791 465 HG1 THR 55 1HG THR 55 -13.807 -10.800 -13.946 466 HG21 THR 55 3HG2 THR 55 -10.398 -9.136 -13.565 467 HG22 THR 55 1HG2 THR 55 -11.586 -7.832 -13.554 468 HG23 THR 55 2HG2 THR 55 -11.544 -8.975 -14.896 469 H GLU 56 H GLU 56 -11.794 -12.527 -13.281 470 HA GLU 56 HA GLU 56 -8.932 -13.060 -12.896 471 HB2 GLU 56 2HB GLU 56 -10.805 -14.778 -12.353 472 HB3 GLU 56 1HB GLU 56 -10.873 -15.008 -14.094 473 HG2 GLU 56 2HG GLU 56 -9.439 -16.677 -13.381 474 HG3 GLU 56 1HG GLU 56 -8.348 -15.412 -13.943 Start of MODEL 3 1 H1 THR 1 1HT THR 1 -12.593 4.406 -3.151 2 H2 THR 1 2HT THR 1 -10.897 4.147 -3.192 3 H3 THR 1 3HT THR 1 -11.532 5.728 -3.402 4 HA THR 1 HA THR 1 -12.488 5.538 -1.153 5 HB THR 1 HB THR 1 -10.481 3.336 -0.773 6 HG1 THR 1 1HG THR 1 -11.832 1.866 -1.459 7 HG21 THR 1 1HG2 THR 1 -12.552 4.607 0.835 8 HG22 THR 1 2HG2 THR 1 -11.128 3.687 1.327 9 HG23 THR 1 3HG2 THR 1 -12.608 2.846 0.860 10 H THR 2 H THR 2 -11.571 7.291 -0.326 11 HA THR 2 HA THR 2 -8.708 7.739 -0.704 12 HB THR 2 HB THR 2 -10.239 9.539 -1.358 13 HG1 THR 2 1HG THR 2 -8.724 10.182 0.951 14 HG21 THR 2 3HG2 THR 2 -11.252 9.208 1.400 15 HG22 THR 2 1HG2 THR 2 -12.107 9.626 -0.086 16 HG23 THR 2 2HG2 THR 2 -11.148 10.845 0.753 17 H TYR 3 H TYR 3 -7.273 8.057 0.964 18 HA TYR 3 HA TYR 3 -8.281 7.457 3.668 19 HB2 TYR 3 2HB TYR 3 -6.418 6.006 2.135 20 HB3 TYR 3 1HB TYR 3 -5.476 6.841 3.366 21 HD1 TYR 3 1HD TYR 3 -6.819 6.771 5.779 22 HD2 TYR 3 2HD TYR 3 -6.986 3.851 2.688 23 HE1 TYR 3 1HE TYR 3 -7.464 5.067 7.430 24 HE2 TYR 3 2HE TYR 3 -7.632 2.139 4.331 25 HH TYR 3 HH TYR 3 -8.896 2.401 6.860 26 H LYS 4 H LYS 4 -8.486 9.641 4.216 27 HA LYS 4 HA LYS 4 -7.842 11.694 4.952 28 HB2 LYS 4 2HB LYS 4 -5.812 9.780 5.870 29 HB3 LYS 4 1HB LYS 4 -5.282 11.458 5.877 30 HG2 LYS 4 2HG LYS 4 -7.769 10.425 7.222 31 HG3 LYS 4 1HG LYS 4 -6.232 10.741 8.028 32 HD2 LYS 4 2HD LYS 4 -6.393 13.102 7.272 33 HD3 LYS 4 1HD LYS 4 -7.994 12.752 6.630 34 HE2 LYS 4 2HE LYS 4 -7.111 12.608 9.506 35 HE3 LYS 4 1HE LYS 4 -8.246 13.755 8.792 36 HZ1 LYS 4 3HZ LYS 4 -8.682 10.822 8.950 37 HZ2 LYS 4 1HZ LYS 4 -9.785 11.975 8.383 38 HZ3 LYS 4 2HZ LYS 4 -9.347 11.955 10.016 39 H LEU 5 H LEU 5 -7.208 10.942 2.141 40 HA LEU 5 HA LEU 5 -6.195 11.873 0.329 41 HB2 LEU 5 2HB LEU 5 -6.726 13.939 2.173 42 HB3 LEU 5 1HB LEU 5 -5.128 14.260 1.520 43 HG LEU 5 HG LEU 5 -6.422 13.778 -0.779 44 HD11 LEU 5 1HD1 LEU 5 -8.637 14.939 -0.615 45 HD12 LEU 5 2HD1 LEU 5 -8.511 14.789 1.136 46 HD13 LEU 5 3HD1 LEU 5 -8.575 13.342 0.129 47 HD21 LEU 5 3HD2 LEU 5 -5.896 16.213 0.813 48 HD22 LEU 5 1HD2 LEU 5 -6.969 16.387 -0.575 49 HD23 LEU 5 2HD2 LEU 5 -5.335 15.763 -0.796 50 H ILE 6 H ILE 6 -4.042 12.874 -0.456 51 HA ILE 6 HA ILE 6 -1.925 11.207 0.535 52 HB ILE 6 HB ILE 6 -1.718 13.420 -1.508 53 HG12 ILE 6 2HG1 ILE 6 -1.878 10.647 -2.463 54 HG13 ILE 6 1HG1 ILE 6 -3.363 11.231 -1.721 55 HG21 ILE 6 1HG2 ILE 6 0.455 12.890 -1.146 56 HG22 ILE 6 2HG2 ILE 6 0.070 11.601 -2.287 57 HG23 ILE 6 3HG2 ILE 6 0.077 11.273 -0.554 58 HD11 ILE 6 3HD1 ILE 6 -1.895 12.520 -4.007 59 HD12 ILE 6 1HD1 ILE 6 -3.366 13.137 -3.255 60 HD13 ILE 6 2HD1 ILE 6 -3.392 11.594 -4.110 61 H LEU 7 H LEU 7 -0.698 11.698 2.226 62 HA LEU 7 HA LEU 7 0.452 14.318 2.499 63 HB2 LEU 7 2HB LEU 7 -1.654 13.315 4.370 64 HB3 LEU 7 1HB LEU 7 -0.365 14.329 4.985 65 HG LEU 7 HG LEU 7 -1.167 15.819 2.876 66 HD11 LEU 7 1HD1 LEU 7 -3.298 15.542 2.257 67 HD12 LEU 7 2HD1 LEU 7 -3.828 15.132 3.887 68 HD13 LEU 7 3HD1 LEU 7 -3.082 13.903 2.868 69 HD21 LEU 7 3HD2 LEU 7 -1.850 15.756 5.758 70 HD22 LEU 7 1HD2 LEU 7 -2.772 16.852 4.729 71 HD23 LEU 7 2HD2 LEU 7 -1.014 16.993 4.819 72 H ASN 8 H ASN 8 -0.078 11.147 3.971 73 HA ASN 8 HA ASN 8 2.760 11.109 4.717 74 HB2 ASN 8 2HB ASN 8 0.854 11.400 6.589 75 HB3 ASN 8 1HB ASN 8 0.863 9.643 6.469 76 HD21 ASN 8 1HD2 ASN 8 2.523 12.434 7.556 77 HD22 ASN 8 2HD2 ASN 8 3.849 11.625 8.311 78 H LEU 9 H LEU 9 3.667 9.621 3.493 79 HA LEU 9 HA LEU 9 2.175 7.290 2.594 80 HB2 LEU 9 2HB LEU 9 4.831 8.491 1.904 81 HB3 LEU 9 1HB LEU 9 4.529 6.799 1.536 82 HG LEU 9 HG LEU 9 4.109 8.234 -0.401 83 HD11 LEU 9 1HD1 LEU 9 1.964 7.352 -1.005 84 HD12 LEU 9 2HD1 LEU 9 1.533 7.114 0.688 85 HD13 LEU 9 3HD1 LEU 9 2.814 6.146 -0.040 86 HD21 LEU 9 3HD2 LEU 9 2.949 10.139 -0.331 87 HD22 LEU 9 1HD2 LEU 9 3.079 10.017 1.423 88 HD23 LEU 9 2HD2 LEU 9 1.640 9.412 0.602 89 H LYS 10 H LYS 10 4.904 8.161 4.586 90 HA LYS 10 HA LYS 10 6.030 5.783 5.284 91 HB2 LYS 10 2HB LYS 10 5.941 8.421 6.297 92 HB3 LYS 10 1HB LYS 10 5.649 7.349 7.663 93 HG2 LYS 10 2HG LYS 10 7.709 6.065 6.883 94 HG3 LYS 10 1HG LYS 10 8.041 7.461 5.858 95 HD2 LYS 10 2HD LYS 10 7.513 7.783 8.790 96 HD3 LYS 10 1HD LYS 10 9.121 7.355 8.200 97 HE2 LYS 10 2HE LYS 10 9.039 9.728 8.445 98 HE3 LYS 10 1HE LYS 10 9.036 9.363 6.725 99 HZ1 LYS 10 3HZ LYS 10 6.945 10.137 6.468 100 HZ2 LYS 10 1HZ LYS 10 7.338 11.052 7.842 101 HZ3 LYS 10 2HZ LYS 10 6.434 9.631 8.000 102 H GLN 11 H GLN 11 2.995 7.144 6.366 103 HA GLN 11 HA GLN 11 2.420 5.269 8.402 104 HB2 GLN 11 2HB GLN 11 1.240 7.349 8.386 105 HB3 GLN 11 1HB GLN 11 0.687 7.096 6.738 106 HG2 GLN 11 2HG GLN 11 -0.841 5.425 7.413 107 HG3 GLN 11 1HG GLN 11 -0.119 5.312 9.017 108 HE21 GLN 11 1HE2 GLN 11 -0.180 7.393 10.282 109 HE22 GLN 11 2HE2 GLN 11 -1.647 8.306 10.205 110 H ALA 12 H ALA 12 1.481 5.501 4.988 111 HA ALA 12 HA ALA 12 -0.038 3.108 4.946 112 HB1 ALA 12 1HB ALA 12 1.296 4.105 2.478 113 HB2 ALA 12 2HB ALA 12 0.089 5.127 3.258 114 HB3 ALA 12 3HB ALA 12 -0.347 3.508 2.712 115 H LYS 13 H LYS 13 3.309 3.867 4.040 116 HA LYS 13 HA LYS 13 4.010 1.314 3.107 117 HB2 LYS 13 2HB LYS 13 5.800 3.346 4.454 118 HB3 LYS 13 1HB LYS 13 6.326 2.018 3.428 119 HG2 LYS 13 2HG LYS 13 4.429 3.523 1.963 120 HG3 LYS 13 1HG LYS 13 5.572 4.656 2.689 121 HD2 LYS 13 2HD LYS 13 7.417 3.195 1.789 122 HD3 LYS 13 1HD LYS 13 6.179 2.318 0.887 123 HE2 LYS 13 2HE LYS 13 6.477 5.301 0.679 124 HE3 LYS 13 1HE LYS 13 7.429 4.201 -0.319 125 HZ1 LYS 13 3HZ LYS 13 4.518 4.651 -0.329 126 HZ2 LYS 13 1HZ LYS 13 5.154 3.191 -0.901 127 HZ3 LYS 13 2HZ LYS 13 5.600 4.652 -1.628 128 H GLU 14 H GLU 14 4.474 2.786 6.317 129 HA GLU 14 HA GLU 14 5.586 0.492 7.515 130 HB2 GLU 14 2HB GLU 14 5.353 1.567 9.606 131 HB3 GLU 14 1HB GLU 14 5.667 2.851 8.453 132 HG2 GLU 14 2HG GLU 14 3.328 3.468 8.451 133 HG3 GLU 14 1HG GLU 14 2.946 2.108 9.508 134 H GLU 15 H GLU 15 2.280 1.501 6.980 135 HA GLU 15 HA GLU 15 1.133 -0.508 8.681 136 HB2 GLU 15 2HB GLU 15 0.044 1.696 8.029 137 HB3 GLU 15 1HB GLU 15 -0.249 0.981 6.450 138 HG2 GLU 15 2HG GLU 15 -1.897 -0.366 7.205 139 HG3 GLU 15 1HG GLU 15 -1.148 -0.579 8.788 140 H ALA 16 H ALA 16 1.998 -0.200 5.309 141 HA ALA 16 HA ALA 16 0.596 -2.371 4.248 142 HB1 ALA 16 1HB ALA 16 3.283 -1.914 3.144 143 HB2 ALA 16 2HB ALA 16 2.246 -0.491 3.219 144 HB3 ALA 16 3HB ALA 16 1.712 -1.923 2.344 145 H ILE 17 H ILE 17 3.795 -2.214 5.768 146 HA ILE 17 HA ILE 17 4.372 -4.989 5.387 147 HB ILE 17 HB ILE 17 5.658 -3.503 7.629 148 HG12 ILE 17 2HG1 ILE 17 5.700 -1.708 6.033 149 HG13 ILE 17 1HG1 ILE 17 7.267 -2.503 5.864 150 HG21 ILE 17 1HG2 ILE 17 7.662 -4.606 6.307 151 HG22 ILE 17 2HG2 ILE 17 6.364 -5.607 5.652 152 HG23 ILE 17 3HG2 ILE 17 6.637 -5.544 7.395 153 HD11 ILE 17 3HD1 ILE 17 6.716 -2.298 3.684 154 HD12 ILE 17 1HD1 ILE 17 4.982 -2.382 3.996 155 HD13 ILE 17 2HD1 ILE 17 5.949 -3.853 4.008 156 H LYS 18 H LYS 18 3.353 -3.050 8.148 157 HA LYS 18 HA LYS 18 3.176 -5.007 10.095 158 HB2 LYS 18 2HB LYS 18 2.958 -2.632 10.601 159 HB3 LYS 18 1HB LYS 18 1.441 -2.562 9.717 160 HG2 LYS 18 2HG LYS 18 0.261 -3.585 11.376 161 HG3 LYS 18 1HG LYS 18 1.656 -4.497 11.958 162 HD2 LYS 18 2HD LYS 18 2.470 -2.713 13.192 163 HD3 LYS 18 1HD LYS 18 1.604 -1.519 12.225 164 HE2 LYS 18 2HE LYS 18 -0.289 -1.718 13.438 165 HE3 LYS 18 1HE LYS 18 -0.084 -3.453 13.669 166 HZ1 LYS 18 3HZ LYS 18 1.443 -3.076 15.421 167 HZ2 LYS 18 1HZ LYS 18 0.110 -2.080 15.725 168 HZ3 LYS 18 2HZ LYS 18 1.534 -1.419 15.096 169 H GLU 19 H GLU 19 0.667 -3.902 7.826 170 HA GLU 19 HA GLU 19 -1.353 -5.639 8.705 171 HB2 GLU 19 2HB GLU 19 -1.831 -3.804 7.124 172 HB3 GLU 19 1HB GLU 19 -0.886 -4.622 5.883 173 HG2 GLU 19 2HG GLU 19 -2.706 -5.668 5.223 174 HG3 GLU 19 1HG GLU 19 -2.790 -6.476 6.788 175 H LEU 20 H LEU 20 1.211 -6.055 6.308 176 HA LEU 20 HA LEU 20 0.499 -8.687 5.548 177 HB2 LEU 20 2HB LEU 20 2.396 -6.818 4.804 178 HB3 LEU 20 1HB LEU 20 3.363 -8.093 5.533 179 HG LEU 20 HG LEU 20 1.843 -9.623 3.957 180 HD11 LEU 20 1HD1 LEU 20 1.317 -6.905 3.105 181 HD12 LEU 20 2HD1 LEU 20 0.504 -8.411 2.679 182 HD13 LEU 20 3HD1 LEU 20 1.952 -7.913 1.794 183 HD21 LEU 20 3HD2 LEU 20 4.441 -8.858 3.993 184 HD22 LEU 20 1HD2 LEU 20 3.936 -8.224 2.428 185 HD23 LEU 20 2HD2 LEU 20 3.745 -9.938 2.785 186 H VAL 21 H VAL 21 2.342 -7.268 8.154 187 HA VAL 21 HA VAL 21 3.501 -9.682 9.106 188 HB VAL 21 HB VAL 21 3.035 -7.165 10.713 189 HG11 VAL 21 1HG1 VAL 21 4.465 -9.698 11.174 190 HG12 VAL 21 2HG1 VAL 21 3.701 -8.596 12.320 191 HG13 VAL 21 3HG1 VAL 21 5.301 -8.227 11.669 192 HG21 VAL 21 3HG2 VAL 21 4.764 -7.636 8.461 193 HG22 VAL 21 1HG2 VAL 21 5.721 -7.339 9.913 194 HG23 VAL 21 2HG2 VAL 21 4.521 -6.158 9.390 195 H ASP 22 H ASP 22 0.521 -7.935 9.762 196 HA ASP 22 HA ASP 22 -0.218 -9.482 12.043 197 HB2 ASP 22 2HB ASP 22 -1.520 -7.453 10.308 198 HB3 ASP 22 1HB ASP 22 -2.583 -8.525 11.213 199 H ALA 23 H ALA 23 -0.282 -10.077 8.677 200 HA ALA 23 HA ALA 23 -1.912 -12.481 9.141 201 HB1 ALA 23 1HB ALA 23 -2.101 -10.594 6.800 202 HB2 ALA 23 2HB ALA 23 -3.351 -10.954 7.993 203 HB3 ALA 23 3HB ALA 23 -2.845 -12.193 6.846 204 H GLY 24 H GLY 24 -0.300 -11.208 6.247 205 HA2 GLY 24 2HA GLY 24 2.074 -12.294 6.038 206 HA3 GLY 24 1HA GLY 24 1.102 -13.765 5.971 207 H THR 25 H THR 25 -0.394 -14.016 4.220 208 HA THR 25 HA THR 25 -0.767 -14.141 1.977 209 HB THR 25 HB THR 25 -1.780 -11.871 2.932 210 HG1 THR 25 1HG THR 25 -1.761 -12.282 0.143 211 HG21 THR 25 3HG2 THR 25 0.005 -10.900 0.707 212 HG22 THR 25 1HG2 THR 25 0.130 -10.454 2.409 213 HG23 THR 25 2HG2 THR 25 -1.292 -9.988 1.478 214 H ALA 26 H ALA 26 -0.127 -13.048 -0.266 215 HA ALA 26 HA ALA 26 2.607 -13.643 -0.651 216 HB1 ALA 26 1HB ALA 26 0.429 -13.516 -2.274 217 HB2 ALA 26 2HB ALA 26 2.087 -13.647 -2.837 218 HB3 ALA 26 3HB ALA 26 1.318 -12.071 -2.758 219 H GLU 27 H GLU 27 3.988 -12.330 0.453 220 HA GLU 27 HA GLU 27 3.776 -9.595 0.856 221 HB2 GLU 27 2HB GLU 27 6.274 -9.659 1.150 222 HB3 GLU 27 1HB GLU 27 5.375 -10.819 2.116 223 HG2 GLU 27 2HG GLU 27 6.241 -12.599 1.039 224 HG3 GLU 27 1HG GLU 27 6.319 -11.771 -0.512 225 H LYS 28 H LYS 28 4.851 -11.334 -1.972 226 HA LYS 28 HA LYS 28 6.389 -9.589 -3.360 227 HB2 LYS 28 2HB LYS 28 5.120 -10.389 -5.440 228 HB3 LYS 28 1HB LYS 28 5.901 -11.608 -4.443 229 HG2 LYS 28 2HG LYS 28 3.372 -11.439 -3.362 230 HG3 LYS 28 1HG LYS 28 3.094 -11.245 -5.093 231 HD2 LYS 28 2HD LYS 28 4.898 -13.297 -5.016 232 HD3 LYS 28 1HD LYS 28 3.929 -13.601 -3.576 233 HE2 LYS 28 2HE LYS 28 2.074 -14.099 -4.774 234 HE3 LYS 28 1HE LYS 28 2.436 -12.909 -6.022 235 HZ1 LYS 28 3HZ LYS 28 2.706 -14.909 -7.106 236 HZ2 LYS 28 1HZ LYS 28 3.418 -15.676 -5.770 237 HZ3 LYS 28 2HZ LYS 28 4.298 -14.537 -6.659 238 H TYR 29 H TYR 29 2.855 -9.428 -3.064 239 HA TYR 29 HA TYR 29 2.506 -7.157 -4.702 240 HB2 TYR 29 2HB TYR 29 0.850 -8.876 -3.234 241 HB3 TYR 29 1HB TYR 29 0.583 -7.279 -2.533 242 HD1 TYR 29 2HD TYR 29 0.478 -5.410 -4.596 243 HD2 TYR 29 1HD TYR 29 -0.667 -9.497 -4.747 244 HE1 TYR 29 2HE TYR 29 -1.041 -4.911 -6.463 245 HE2 TYR 29 1HE TYR 29 -2.179 -9.017 -6.600 246 HH TYR 29 HH TYR 29 -2.531 -7.382 -8.329 247 H ILE 30 H ILE 30 3.097 -7.570 -1.250 248 HA ILE 30 HA ILE 30 2.809 -4.939 -0.393 249 HB ILE 30 HB ILE 30 3.617 -7.309 0.779 250 HG12 ILE 30 2HG1 ILE 30 2.283 -5.693 1.927 251 HG13 ILE 30 1HG1 ILE 30 3.739 -5.940 2.885 252 HG21 ILE 30 1HG2 ILE 30 5.952 -6.910 0.157 253 HG22 ILE 30 2HG2 ILE 30 5.728 -6.885 1.904 254 HG23 ILE 30 3HG2 ILE 30 5.915 -5.372 1.018 255 HD11 ILE 30 3HD1 ILE 30 2.696 -3.532 1.740 256 HD12 ILE 30 1HD1 ILE 30 4.334 -3.833 1.159 257 HD13 ILE 30 2HD1 ILE 30 4.015 -3.751 2.892 258 H LYS 31 H LYS 31 5.570 -6.602 -1.818 259 HA LYS 31 HA LYS 31 7.454 -4.540 -1.634 260 HB2 LYS 31 2HB LYS 31 8.026 -6.850 -2.253 261 HB3 LYS 31 1HB LYS 31 7.163 -6.659 -3.775 262 HG2 LYS 31 2HG LYS 31 8.873 -5.606 -4.749 263 HG3 LYS 31 1HG LYS 31 9.202 -4.619 -3.323 264 HD2 LYS 31 2HD LYS 31 9.900 -7.309 -2.718 265 HD3 LYS 31 1HD LYS 31 10.614 -6.887 -4.274 266 HE2 LYS 31 2HE LYS 31 11.264 -4.679 -2.975 267 HE3 LYS 31 1HE LYS 31 11.110 -5.741 -1.575 268 HZ1 LYS 31 3HZ LYS 31 12.745 -7.201 -2.483 269 HZ2 LYS 31 1HZ LYS 31 13.383 -5.635 -2.502 270 HZ3 LYS 31 2HZ LYS 31 12.815 -6.334 -3.932 271 H LEU 32 H LEU 32 4.802 -5.117 -3.821 272 HA LEU 32 HA LEU 32 5.504 -3.302 -5.859 273 HB2 LEU 32 2HB LEU 32 3.434 -5.077 -5.397 274 HB3 LEU 32 1HB LEU 32 2.633 -3.515 -5.318 275 HG LEU 32 HG LEU 32 2.465 -4.345 -7.561 276 HD11 LEU 32 1HD1 LEU 32 3.760 -2.574 -8.802 277 HD12 LEU 32 2HD1 LEU 32 4.459 -2.117 -7.248 278 HD13 LEU 32 3HD1 LEU 32 2.718 -1.995 -7.501 279 HD21 LEU 32 3HD2 LEU 32 4.383 -5.899 -7.437 280 HD22 LEU 32 1HD2 LEU 32 5.474 -4.522 -7.597 281 HD23 LEU 32 2HD2 LEU 32 4.373 -4.931 -8.912 282 H ILE 33 H ILE 33 3.932 -2.911 -2.748 283 HA ILE 33 HA ILE 33 3.086 -0.221 -3.227 284 HB ILE 33 HB ILE 33 2.198 -0.193 -1.112 285 HG12 ILE 33 2HG1 ILE 33 3.223 -2.002 0.615 286 HG13 ILE 33 1HG1 ILE 33 4.657 -1.660 -0.343 287 HG21 ILE 33 1HG2 ILE 33 2.334 -3.136 -1.044 288 HG22 ILE 33 2HG2 ILE 33 1.728 -2.410 -2.531 289 HG23 ILE 33 3HG2 ILE 33 0.940 -2.058 -0.993 290 HD11 ILE 33 3HD1 ILE 33 4.101 0.809 0.099 291 HD12 ILE 33 1HD1 ILE 33 4.790 -0.153 1.408 292 HD13 ILE 33 2HD1 ILE 33 3.060 0.185 1.379 293 H ALA 34 H ALA 34 5.983 -1.719 -2.010 294 HA ALA 34 HA ALA 34 7.180 0.323 -0.601 295 HB1 ALA 34 1HB ALA 34 9.349 -0.646 -1.378 296 HB2 ALA 34 2HB ALA 34 8.429 -1.691 -2.461 297 HB3 ALA 34 3HB ALA 34 8.217 -1.824 -0.715 298 H ASN 35 H ASN 35 6.590 0.120 -4.019 299 HA ASN 35 HA ASN 35 8.295 2.445 -4.532 300 HB2 ASN 35 2HB ASN 35 7.870 0.140 -5.993 301 HB3 ASN 35 1HB ASN 35 6.869 1.331 -6.829 302 HD21 ASN 35 1HD2 ASN 35 9.381 -0.045 -7.579 303 HD22 ASN 35 2HD2 ASN 35 10.480 1.220 -7.991 304 H ALA 36 H ALA 36 5.174 1.863 -3.639 305 HA ALA 36 HA ALA 36 3.568 3.387 -5.294 306 HB1 ALA 36 1HB ALA 36 1.971 3.243 -3.671 307 HB2 ALA 36 2HB ALA 36 3.116 3.544 -2.362 308 HB3 ALA 36 3HB ALA 36 3.060 1.962 -3.137 309 H LYS 37 H LYS 37 3.234 5.513 -5.620 310 HA LYS 37 HA LYS 37 4.966 7.370 -4.151 311 HB2 LYS 37 2HB LYS 37 4.820 8.860 -6.005 312 HB3 LYS 37 1HB LYS 37 5.139 7.254 -6.653 313 HG2 LYS 37 2HG LYS 37 2.292 8.021 -6.470 314 HG3 LYS 37 1HG LYS 37 3.276 8.934 -7.622 315 HD2 LYS 37 2HD LYS 37 3.869 6.978 -8.804 316 HD3 LYS 37 1HD LYS 37 3.272 5.927 -7.529 317 HE2 LYS 37 2HE LYS 37 1.329 7.798 -8.747 318 HE3 LYS 37 1HE LYS 37 1.881 6.461 -9.752 319 HZ1 LYS 37 3HZ LYS 37 -0.117 6.347 -7.922 320 HZ2 LYS 37 1HZ LYS 37 1.183 5.636 -7.103 321 HZ3 LYS 37 2HZ LYS 37 0.682 5.015 -8.594 322 H THR 38 H THR 38 1.639 6.631 -4.834 323 HA THR 38 HA THR 38 0.800 9.008 -3.310 324 HB THR 38 HB THR 38 -1.462 8.557 -4.323 325 HG1 THR 38 1HG THR 38 0.016 6.796 -5.981 326 HG21 THR 38 3HG2 THR 38 -0.617 10.259 -5.526 327 HG22 THR 38 1HG2 THR 38 -0.535 9.029 -6.786 328 HG23 THR 38 2HG2 THR 38 0.901 9.421 -5.839 329 H VAL 39 H VAL 39 -0.560 8.791 -1.555 330 HA VAL 39 HA VAL 39 -0.311 6.567 0.074 331 HB VAL 39 HB VAL 39 -2.251 7.457 1.353 332 HG11 VAL 39 1HG1 VAL 39 -1.104 9.300 2.188 333 HG12 VAL 39 2HG1 VAL 39 -0.467 9.744 0.604 334 HG13 VAL 39 3HG1 VAL 39 0.168 8.331 1.445 335 HG21 VAL 39 3HG2 VAL 39 -3.658 8.278 -0.387 336 HG22 VAL 39 1HG2 VAL 39 -2.403 9.372 -0.967 337 HG23 VAL 39 2HG2 VAL 39 -3.173 9.661 0.593 338 H GLU 40 H GLU 40 -2.993 7.412 -2.093 339 HA GLU 40 HA GLU 40 -4.728 5.341 -1.448 340 HB2 GLU 40 2HB GLU 40 -4.556 7.360 -3.430 341 HB3 GLU 40 1HB GLU 40 -4.858 5.845 -4.269 342 HG2 GLU 40 2HG GLU 40 -6.709 5.529 -2.470 343 HG3 GLU 40 1HG GLU 40 -6.552 7.276 -2.277 344 H GLY 41 H GLY 41 -2.292 5.413 -4.055 345 HA2 GLY 41 2HA GLY 41 -2.701 2.848 -5.041 346 HA3 GLY 41 1HA GLY 41 -1.172 3.710 -5.110 347 H VAL 42 H VAL 42 -1.046 3.847 -2.138 348 HA VAL 42 HA VAL 42 0.201 1.258 -1.774 349 HB VAL 42 HB VAL 42 0.073 3.092 0.548 350 HG11 VAL 42 1HG1 VAL 42 2.340 2.449 0.854 351 HG12 VAL 42 2HG1 VAL 42 2.459 1.833 -0.796 352 HG13 VAL 42 3HG1 VAL 42 1.454 0.996 0.392 353 HG21 VAL 42 3HG2 VAL 42 2.109 4.306 -0.716 354 HG22 VAL 42 1HG2 VAL 42 0.459 4.926 -0.711 355 HG23 VAL 42 2HG2 VAL 42 1.044 3.996 -2.087 356 H TRP 43 H TRP 43 -2.401 3.135 -0.263 357 HA TRP 43 HA TRP 43 -3.097 1.229 1.687 358 HB2 TRP 43 2HB TRP 43 -4.744 3.390 0.372 359 HB3 TRP 43 1HB TRP 43 -5.295 2.443 1.742 360 HD1 TRP 43 HD TRP 43 -3.736 5.652 1.025 361 HE1 TRP 43 1HE TRP 43 -2.592 6.618 3.121 362 HE3 TRP 43 3HE TRP 43 -3.699 1.460 3.907 363 HZ2 TRP 43 2HZ TRP 43 -1.780 5.707 5.673 364 HZ3 TRP 43 3HZ TRP 43 -2.721 1.573 6.169 365 HH2 TRP 43 HH TRP 43 -1.782 3.658 7.031 366 H THR 44 H THR 44 -3.919 1.555 -1.693 367 HA THR 44 HA THR 44 -6.067 -0.351 -1.603 368 HB THR 44 HB THR 44 -5.969 1.485 -3.273 369 HG1 THR 44 1HG THR 44 -7.267 -0.173 -3.854 370 HG21 THR 44 3HG2 THR 44 -3.895 -0.142 -4.704 371 HG22 THR 44 1HG2 THR 44 -3.511 1.281 -3.740 372 HG23 THR 44 2HG2 THR 44 -4.553 1.433 -5.154 373 H LEU 45 H LEU 45 -2.658 -0.409 -2.573 374 HA LEU 45 HA LEU 45 -2.626 -2.978 -3.679 375 HB2 LEU 45 2HB LEU 45 -0.439 -1.440 -2.278 376 HB3 LEU 45 1HB LEU 45 -0.181 -2.981 -3.072 377 HD11 LEU 45 1HD2 LEU 45 1.427 -1.927 -4.996 378 HD12 LEU 45 2HD2 LEU 45 1.361 -0.792 -3.649 379 HD13 LEU 45 3HD2 LEU 45 1.033 -0.232 -5.289 380 HD21 LEU 45 3HD1 LEU 45 -0.702 -1.802 -6.496 381 HD22 LEU 45 1HD1 LEU 45 -2.163 -2.154 -5.571 382 HD23 LEU 45 2HD1 LEU 45 -0.764 -3.223 -5.449 383 H LYS 46 H LYS 46 -1.873 -1.997 -0.321 384 HA LYS 46 HA LYS 46 -1.466 -4.625 0.640 385 HB2 LYS 46 2HB LYS 46 -1.896 -3.562 2.899 386 HB3 LYS 46 1HB LYS 46 -0.601 -2.851 1.947 387 HG2 LYS 46 2HG LYS 46 -1.552 -0.882 2.295 388 HG3 LYS 46 1HG LYS 46 -2.858 -1.400 1.231 389 HD2 LYS 46 2HD LYS 46 -3.906 -0.692 3.222 390 HD3 LYS 46 1HD LYS 46 -3.917 -2.455 3.285 391 HE2 LYS 46 2HE LYS 46 -1.879 -2.372 4.691 392 HE3 LYS 46 1HE LYS 46 -1.989 -0.612 4.693 393 HZ1 LYS 46 3HZ LYS 46 -3.788 -0.634 6.068 394 HZ2 LYS 46 1HZ LYS 46 -3.023 -2.042 6.610 395 HZ3 LYS 46 2HZ LYS 46 -4.334 -2.147 5.546 396 H ASP 47 H ASP 47 -4.309 -2.504 0.621 397 HA ASP 47 HA ASP 47 -6.017 -4.310 1.988 398 HB2 ASP 47 2HB ASP 47 -6.474 -1.850 0.323 399 HB3 ASP 47 1HB ASP 47 -7.831 -2.814 0.900 400 H GLU 48 H GLU 48 -4.999 -4.012 -1.301 401 HA GLU 48 HA GLU 48 -7.174 -5.415 -2.492 402 HB2 GLU 48 2HB GLU 48 -4.516 -4.432 -3.360 403 HB3 GLU 48 1HB GLU 48 -5.184 -5.776 -4.275 404 HG2 GLU 48 2HG GLU 48 -7.075 -3.598 -3.783 405 HG3 GLU 48 1HG GLU 48 -5.675 -3.151 -4.760 406 H ILE 49 H ILE 49 -4.118 -6.354 -1.062 407 HA ILE 49 HA ILE 49 -4.245 -9.062 -2.020 408 HB ILE 49 HB ILE 49 -2.590 -8.215 0.335 409 HG12 ILE 49 2HG1 ILE 49 -1.239 -8.034 -2.255 410 HG13 ILE 49 1HG1 ILE 49 -2.499 -6.823 -2.055 411 HG21 ILE 49 1HG2 ILE 49 -2.582 -10.552 -0.167 412 HG22 ILE 49 2HG2 ILE 49 -1.026 -9.876 -0.648 413 HG23 ILE 49 3HG2 ILE 49 -2.246 -10.237 -1.868 414 HD11 ILE 49 3HD1 ILE 49 -0.765 -5.684 -1.154 415 HD12 ILE 49 1HD1 ILE 49 0.067 -7.148 -0.628 416 HD13 ILE 49 2HD1 ILE 49 -1.304 -6.533 0.295 417 H LYS 50 H LYS 50 -5.053 -7.361 0.961 418 HA LYS 50 HA LYS 50 -5.705 -9.754 2.402 419 HB2 LYS 50 2HB LYS 50 -5.650 -6.877 2.935 420 HB3 LYS 50 1HB LYS 50 -6.980 -7.706 3.733 421 HG2 LYS 50 2HG LYS 50 -5.115 -7.636 5.223 422 HG3 LYS 50 1HG LYS 50 -5.342 -9.304 4.690 423 HD2 LYS 50 2HD LYS 50 -3.610 -8.585 2.836 424 HD3 LYS 50 1HD LYS 50 -3.169 -7.371 4.038 425 HE2 LYS 50 2HE LYS 50 -1.832 -9.481 4.152 426 HE3 LYS 50 1HE LYS 50 -2.652 -9.048 5.653 427 HZ1 LYS 50 3HZ LYS 50 -2.753 -11.470 4.726 428 HZ2 LYS 50 1HZ LYS 50 -4.008 -10.849 3.775 429 HZ3 LYS 50 2HZ LYS 50 -4.111 -10.778 5.462 430 H THR 51 H THR 51 -7.419 -7.520 0.357 431 HA THR 51 HA THR 51 -9.994 -8.711 1.064 432 HB THR 51 HB THR 51 -9.499 -6.490 -0.918 433 HG1 THR 51 1HG THR 51 -9.785 -6.385 1.888 434 HG21 THR 51 3HG2 THR 51 -11.745 -5.861 -0.565 435 HG22 THR 51 1HG2 THR 51 -11.924 -6.988 0.779 436 HG23 THR 51 2HG2 THR 51 -11.750 -7.599 -0.867 437 H PHE 52 H PHE 52 -7.599 -8.701 -1.445 438 HA PHE 52 HA PHE 52 -7.354 -9.934 -3.338 439 HB2 PHE 52 2HB PHE 52 -8.589 -11.622 -1.581 440 HB3 PHE 52 1HB PHE 52 -9.713 -11.646 -2.936 441 HD1 PHE 52 2HD PHE 52 -6.094 -12.015 -2.153 442 HD2 PHE 52 1HD PHE 52 -9.322 -13.058 -4.723 443 HE1 PHE 52 2HE PHE 52 -4.639 -13.619 -3.320 444 HE2 PHE 52 1HE PHE 52 -7.872 -14.664 -5.895 445 HZ PHE 52 HZ PHE 52 -5.528 -14.946 -5.195 446 H THR 53 H THR 53 -9.283 -7.635 -3.138 447 HA THR 53 HA THR 53 -11.512 -8.056 -4.778 448 HB THR 53 HB THR 53 -11.483 -5.609 -5.122 449 HG1 THR 53 1HG THR 53 -9.773 -4.434 -4.663 450 HG21 THR 53 3HG2 THR 53 -10.706 -5.608 -2.323 451 HG22 THR 53 1HG2 THR 53 -11.860 -6.881 -2.728 452 HG23 THR 53 2HG2 THR 53 -12.246 -5.196 -3.079 453 H VAL 54 H VAL 54 -11.876 -7.710 -6.976 454 HA VAL 54 HA VAL 54 -9.459 -7.902 -8.644 455 HB VAL 54 HB VAL 54 -10.979 -9.822 -8.810 456 HG11 VAL 54 1HG1 VAL 54 -13.101 -8.910 -8.317 457 HG12 VAL 54 2HG1 VAL 54 -13.182 -9.441 -9.998 458 HG13 VAL 54 3HG1 VAL 54 -12.980 -7.730 -9.621 459 HG21 VAL 54 3HG2 VAL 54 -10.976 -8.147 -11.320 460 HG22 VAL 54 1HG2 VAL 54 -11.146 -9.901 -11.228 461 HG23 VAL 54 2HG2 VAL 54 -9.631 -9.135 -10.750 462 H THR 55 H THR 55 -12.433 -6.136 -8.141 463 HA THR 55 HA THR 55 -11.522 -4.153 -10.108 464 HB THR 55 HB THR 55 -13.303 -5.388 -11.186 465 HG1 THR 55 1HG THR 55 -13.699 -3.421 -11.828 466 HG21 THR 55 3HG2 THR 55 -14.406 -6.259 -9.151 467 HG22 THR 55 1HG2 THR 55 -15.523 -5.570 -10.327 468 HG23 THR 55 2HG2 THR 55 -15.091 -4.655 -8.884 469 H GLU 56 H GLU 56 -12.640 -2.015 -9.797 470 HA GLU 56 HA GLU 56 -13.473 -1.545 -7.029 471 HB2 GLU 56 2HB GLU 56 -11.301 0.016 -8.442 472 HB3 GLU 56 1HB GLU 56 -11.988 0.421 -6.874 473 HG2 GLU 56 2HG GLU 56 -10.375 -0.791 -5.966 474 HG3 GLU 56 1HG GLU 56 -11.189 -2.217 -6.604 Start of MODEL 4 1 H1 THR 1 1HT THR 1 -12.829 20.375 -3.511 2 H2 THR 1 2HT THR 1 -11.482 20.624 -4.542 3 H3 THR 1 3HT THR 1 -12.515 21.935 -4.147 4 HA THR 1 HA THR 1 -10.482 22.056 -2.938 5 HB THR 1 HB THR 1 -12.540 22.923 -1.957 6 HG1 THR 1 1HG THR 1 -11.074 21.528 0.023 7 HG21 THR 1 1HG2 THR 1 -13.885 20.874 -1.950 8 HG22 THR 1 2HG2 THR 1 -13.866 21.674 -0.380 9 HG23 THR 1 3HG2 THR 1 -12.882 20.237 -0.647 10 H THR 2 H THR 2 -12.303 19.093 -2.171 11 HA THR 2 HA THR 2 -9.801 17.938 -1.127 12 HB THR 2 HB THR 2 -12.442 16.709 -0.490 13 HG1 THR 2 1HG THR 2 -13.113 18.469 0.405 14 HG21 THR 2 3HG2 THR 2 -9.973 16.076 0.311 15 HG22 THR 2 1HG2 THR 2 -11.411 15.810 1.297 16 HG23 THR 2 2HG2 THR 2 -10.404 17.232 1.572 17 H TYR 3 H TYR 3 -8.965 17.007 -2.940 18 HA TYR 3 HA TYR 3 -10.640 14.980 -4.271 19 HB2 TYR 3 2HB TYR 3 -8.592 15.453 -6.046 20 HB3 TYR 3 1HB TYR 3 -10.204 16.152 -6.145 21 HD1 TYR 3 1HD TYR 3 -6.752 16.781 -4.950 22 HD2 TYR 3 2HD TYR 3 -10.537 18.478 -5.896 23 HE1 TYR 3 1HE TYR 3 -5.780 19.033 -4.777 24 HE2 TYR 3 2HE TYR 3 -9.575 20.734 -5.728 25 HH TYR 3 HH TYR 3 -6.759 21.556 -6.002 26 H LYS 4 H LYS 4 -7.316 15.799 -3.334 27 HA LYS 4 HA LYS 4 -6.839 12.978 -2.732 28 HB2 LYS 4 2HB LYS 4 -4.910 14.635 -4.371 29 HB3 LYS 4 1HB LYS 4 -4.696 12.961 -3.880 30 HG2 LYS 4 2HG LYS 4 -5.559 12.391 -5.840 31 HG3 LYS 4 1HG LYS 4 -7.115 12.958 -5.233 32 HD2 LYS 4 2HD LYS 4 -6.636 13.981 -7.378 33 HD3 LYS 4 1HD LYS 4 -6.614 15.204 -6.107 34 HE2 LYS 4 2HE LYS 4 -4.333 15.482 -6.225 35 HE3 LYS 4 1HE LYS 4 -4.064 13.862 -6.865 36 HZ1 LYS 4 3HZ LYS 4 -4.994 16.270 -8.293 37 HZ2 LYS 4 1HZ LYS 4 -5.262 14.722 -8.924 38 HZ3 LYS 4 2HZ LYS 4 -3.681 15.266 -8.658 39 H LEU 5 H LEU 5 -4.299 12.989 -1.924 40 HA LEU 5 HA LEU 5 -3.490 15.230 -0.415 41 HB2 LEU 5 2HB LEU 5 -5.667 13.997 0.694 42 HB3 LEU 5 1HB LEU 5 -4.341 13.210 1.533 43 HG LEU 5 HG LEU 5 -5.133 15.098 2.824 44 HD11 LEU 5 1HD1 LEU 5 -2.567 14.527 2.333 45 HD12 LEU 5 2HD1 LEU 5 -3.080 15.805 3.435 46 HD13 LEU 5 3HD1 LEU 5 -2.602 16.202 1.782 47 HD21 LEU 5 3HD2 LEU 5 -4.627 17.421 1.788 48 HD22 LEU 5 1HD2 LEU 5 -6.118 16.588 1.356 49 HD23 LEU 5 2HD2 LEU 5 -4.747 16.568 0.249 50 H ILE 6 H ILE 6 -1.371 14.963 -0.390 51 HA ILE 6 HA ILE 6 -0.272 12.319 0.288 52 HB ILE 6 HB ILE 6 0.930 14.161 -1.781 53 HG12 ILE 6 2HG1 ILE 6 0.076 11.648 -2.866 54 HG13 ILE 6 1HG1 ILE 6 -1.288 12.402 -2.048 55 HG21 ILE 6 1HG2 ILE 6 2.477 12.683 -0.510 56 HG22 ILE 6 2HG2 ILE 6 2.442 12.362 -2.245 57 HG23 ILE 6 3HG2 ILE 6 1.588 11.293 -1.133 58 HD11 ILE 6 3HD1 ILE 6 0.412 13.798 -4.094 59 HD12 ILE 6 1HD1 ILE 6 -1.113 14.352 -3.403 60 HD13 ILE 6 2HD1 ILE 6 -1.086 12.945 -4.466 61 H LEU 7 H LEU 7 0.335 12.808 2.351 62 HA LEU 7 HA LEU 7 2.176 15.088 2.687 63 HB2 LEU 7 2HB LEU 7 -0.032 15.172 3.909 64 HB3 LEU 7 1HB LEU 7 0.519 13.795 4.846 65 HG LEU 7 HG LEU 7 0.791 16.017 5.976 66 HD11 LEU 7 1HD1 LEU 7 3.551 15.092 5.771 67 HD12 LEU 7 2HD1 LEU 7 2.385 13.793 6.029 68 HD13 LEU 7 3HD1 LEU 7 2.467 15.144 7.163 69 HD21 LEU 7 3HD2 LEU 7 2.565 17.489 5.288 70 HD22 LEU 7 1HD2 LEU 7 1.451 17.263 3.937 71 HD23 LEU 7 2HD2 LEU 7 2.996 16.414 3.959 72 H ASN 8 H ASN 8 1.577 11.697 3.440 73 HA ASN 8 HA ASN 8 4.409 11.281 3.809 74 HB2 ASN 8 2HB ASN 8 2.782 11.734 6.076 75 HB3 ASN 8 1HB ASN 8 3.128 10.003 6.045 76 HD21 ASN 8 1HD2 ASN 8 4.540 9.908 7.703 77 HD22 ASN 8 2HD2 ASN 8 6.073 10.707 7.726 78 H LEU 9 H LEU 9 4.902 9.497 2.774 79 HA LEU 9 HA LEU 9 2.843 7.537 2.151 80 HB2 LEU 9 2HB LEU 9 5.669 7.976 1.214 81 HB3 LEU 9 1HB LEU 9 4.825 6.466 0.887 82 HG LEU 9 HG LEU 9 4.733 8.039 -1.011 83 HD11 LEU 9 1HD1 LEU 9 1.928 7.978 -0.101 84 HD12 LEU 9 2HD1 LEU 9 2.781 6.434 -0.121 85 HD13 LEU 9 3HD1 LEU 9 2.653 7.392 -1.597 86 HD21 LEU 9 3HD2 LEU 9 2.926 9.768 0.649 87 HD22 LEU 9 1HD2 LEU 9 3.671 10.120 -0.912 88 HD23 LEU 9 2HD2 LEU 9 4.661 10.071 0.546 89 H LYS 10 H LYS 10 5.852 7.873 3.887 90 HA LYS 10 HA LYS 10 6.510 5.340 4.632 91 HB2 LYS 10 2HB LYS 10 7.040 7.972 5.518 92 HB3 LYS 10 1HB LYS 10 6.635 7.032 6.952 93 HG2 LYS 10 2HG LYS 10 8.348 5.380 6.337 94 HG3 LYS 10 1HG LYS 10 8.769 6.360 4.931 95 HD2 LYS 10 2HD LYS 10 9.199 8.261 6.570 96 HD3 LYS 10 1HD LYS 10 9.096 7.047 7.846 97 HE2 LYS 10 2HE LYS 10 11.039 7.072 5.541 98 HE3 LYS 10 1HE LYS 10 11.408 7.413 7.223 99 HZ1 LYS 10 3HZ LYS 10 10.993 4.864 5.906 100 HZ2 LYS 10 1HZ LYS 10 10.311 5.008 7.449 101 HZ3 LYS 10 2HZ LYS 10 11.969 5.253 7.233 102 H GLN 11 H GLN 11 3.913 7.346 5.841 103 HA GLN 11 HA GLN 11 3.095 5.771 8.016 104 HB2 GLN 11 2HB GLN 11 2.290 8.022 7.785 105 HB3 GLN 11 1HB GLN 11 1.592 7.671 6.212 106 HG2 GLN 11 2HG GLN 11 0.084 6.022 7.434 107 HG3 GLN 11 1HG GLN 11 0.640 6.783 8.913 108 HE21 GLN 11 1HE2 GLN 11 -0.299 7.997 5.715 109 HE22 GLN 11 2HE2 GLN 11 -1.461 9.133 6.299 110 H ALA 12 H ALA 12 2.066 5.820 4.623 111 HA ALA 12 HA ALA 12 0.203 3.685 4.855 112 HB1 ALA 12 1HB ALA 12 -0.138 3.935 2.603 113 HB2 ALA 12 2HB ALA 12 1.565 4.249 2.268 114 HB3 ALA 12 3HB ALA 12 0.559 5.512 2.981 115 H LYS 13 H LYS 13 3.583 3.895 3.788 116 HA LYS 13 HA LYS 13 3.946 1.241 3.017 117 HB2 LYS 13 2HB LYS 13 5.972 3.076 4.310 118 HB3 LYS 13 1HB LYS 13 6.340 1.629 3.381 119 HG2 LYS 13 2HG LYS 13 5.153 2.745 1.439 120 HG3 LYS 13 1HG LYS 13 5.197 4.224 2.402 121 HD2 LYS 13 2HD LYS 13 7.785 3.308 2.568 122 HD3 LYS 13 1HD LYS 13 7.325 2.890 0.916 123 HE2 LYS 13 2HE LYS 13 7.454 5.016 0.265 124 HE3 LYS 13 1HE LYS 13 6.431 5.549 1.599 125 HZ1 LYS 13 3HZ LYS 13 8.480 5.387 3.020 126 HZ2 LYS 13 1HZ LYS 13 8.491 6.622 1.865 127 HZ3 LYS 13 2HZ LYS 13 9.373 5.205 1.594 128 H GLU 14 H GLU 14 4.488 2.753 6.187 129 HA GLU 14 HA GLU 14 5.378 0.478 7.543 130 HB2 GLU 14 2HB GLU 14 3.838 2.867 8.581 131 HB3 GLU 14 1HB GLU 14 4.551 1.636 9.613 132 HG2 GLU 14 2HG GLU 14 6.589 2.492 7.877 133 HG3 GLU 14 1HG GLU 14 5.762 3.939 8.439 134 H GLU 15 H GLU 15 2.146 1.567 6.750 135 HA GLU 15 HA GLU 15 0.777 -0.296 8.417 136 HB2 GLU 15 2HB GLU 15 -0.027 1.922 7.180 137 HB3 GLU 15 1HB GLU 15 -0.506 0.765 5.946 138 HG2 GLU 15 2HG GLU 15 -2.421 0.803 7.140 139 HG3 GLU 15 1HG GLU 15 -1.576 -0.455 8.039 140 H ALA 16 H ALA 16 1.707 -0.247 5.000 141 HA ALA 16 HA ALA 16 0.426 -2.535 4.116 142 HB1 ALA 16 1HB ALA 16 1.567 -1.039 2.596 143 HB2 ALA 16 2HB ALA 16 2.200 -2.676 2.405 144 HB3 ALA 16 3HB ALA 16 3.127 -1.470 3.299 145 H ILE 17 H ILE 17 3.665 -2.268 5.558 146 HA ILE 17 HA ILE 17 4.268 -5.014 5.464 147 HB ILE 17 HB ILE 17 6.078 -3.483 5.784 148 HG12 ILE 17 2HG1 ILE 17 7.245 -4.511 7.648 149 HG13 ILE 17 1HG1 ILE 17 5.719 -4.941 8.419 150 HG21 ILE 17 1HG2 ILE 17 6.327 -2.041 7.692 151 HG22 ILE 17 2HG2 ILE 17 4.865 -2.690 8.433 152 HG23 ILE 17 3HG2 ILE 17 4.756 -1.734 6.955 153 HD11 ILE 17 3HD1 ILE 17 5.233 -6.420 6.493 154 HD12 ILE 17 1HD1 ILE 17 6.640 -6.894 7.435 155 HD13 ILE 17 2HD1 ILE 17 6.847 -6.078 5.884 156 H LYS 18 H LYS 18 2.988 -3.008 8.077 157 HA LYS 18 HA LYS 18 2.778 -4.906 10.078 158 HB2 LYS 18 2HB LYS 18 2.448 -2.501 10.447 159 HB3 LYS 18 1HB LYS 18 0.946 -2.562 9.535 160 HG2 LYS 18 2HG LYS 18 0.276 -2.588 11.763 161 HG3 LYS 18 1HG LYS 18 0.173 -4.277 11.260 162 HD2 LYS 18 2HD LYS 18 1.318 -4.605 13.189 163 HD3 LYS 18 1HD LYS 18 2.701 -4.235 12.155 164 HE2 LYS 18 2HE LYS 18 1.323 -1.935 13.400 165 HE3 LYS 18 1HE LYS 18 2.226 -2.991 14.485 166 HZ1 LYS 18 3HZ LYS 18 3.312 -0.962 13.142 167 HZ2 LYS 18 1HZ LYS 18 3.608 -2.224 12.054 168 HZ3 LYS 18 2HZ LYS 18 4.182 -2.323 13.642 169 H GLU 19 H GLU 19 0.358 -3.967 7.634 170 HA GLU 19 HA GLU 19 -1.642 -5.748 8.460 171 HB2 GLU 19 2HB GLU 19 -1.018 -4.708 5.681 172 HB3 GLU 19 1HB GLU 19 -2.474 -5.597 6.099 173 HG2 GLU 19 2HG GLU 19 -1.648 -2.945 7.254 174 HG3 GLU 19 1HG GLU 19 -2.878 -3.201 6.018 175 H LEU 20 H LEU 20 1.061 -6.135 6.212 176 HA LEU 20 HA LEU 20 0.480 -8.802 5.476 177 HB2 LEU 20 2HB LEU 20 2.371 -6.889 4.819 178 HB3 LEU 20 1HB LEU 20 3.320 -8.138 5.613 179 HG LEU 20 HG LEU 20 1.920 -9.707 3.965 180 HD11 LEU 20 1HD1 LEU 20 1.496 -6.976 3.008 181 HD12 LEU 20 2HD1 LEU 20 0.594 -8.456 2.687 182 HD13 LEU 20 3HD1 LEU 20 2.068 -8.108 1.776 183 HD21 LEU 20 3HD2 LEU 20 4.505 -8.833 4.123 184 HD22 LEU 20 1HD2 LEU 20 4.046 -8.326 2.499 185 HD23 LEU 20 2HD2 LEU 20 3.905 -10.017 2.964 186 H VAL 21 H VAL 21 2.128 -7.272 8.148 187 HA VAL 21 HA VAL 21 3.291 -9.619 9.230 188 HB VAL 21 HB VAL 21 2.637 -7.087 10.742 189 HG11 VAL 21 1HG1 VAL 21 4.831 -8.030 11.917 190 HG12 VAL 21 2HG1 VAL 21 4.139 -9.550 11.362 191 HG13 VAL 21 3HG1 VAL 21 3.203 -8.495 12.419 192 HG21 VAL 21 3HG2 VAL 21 4.525 -7.546 8.630 193 HG22 VAL 21 1HG2 VAL 21 5.383 -7.221 10.135 194 HG23 VAL 21 2HG2 VAL 21 4.201 -6.065 9.529 195 H ASP 22 H ASP 22 0.221 -7.970 9.643 196 HA ASP 22 HA ASP 22 -0.624 -9.507 11.899 197 HB2 ASP 22 2HB ASP 22 -1.526 -7.248 11.289 198 HB3 ASP 22 1HB ASP 22 -2.351 -7.999 9.926 199 H ALA 23 H ALA 23 -0.605 -10.029 8.485 200 HA ALA 23 HA ALA 23 -2.150 -12.506 8.882 201 HB1 ALA 23 1HB ALA 23 -2.961 -12.240 6.539 202 HB2 ALA 23 2HB ALA 23 -2.250 -10.625 6.530 203 HB3 ALA 23 3HB ALA 23 -3.555 -11.010 7.654 204 H GLY 24 H GLY 24 -0.380 -11.177 6.103 205 HA2 GLY 24 2HA GLY 24 2.014 -12.186 5.995 206 HA3 GLY 24 1HA GLY 24 1.108 -13.698 5.946 207 H THR 25 H THR 25 -0.532 -13.875 4.192 208 HA THR 25 HA THR 25 -0.796 -14.136 1.933 209 HB THR 25 HB THR 25 -1.963 -11.979 2.599 210 HG1 THR 25 1HG THR 25 -2.713 -12.392 0.699 211 HG21 THR 25 3HG2 THR 25 -1.126 -9.929 1.533 212 HG22 THR 25 1HG2 THR 25 0.387 -10.758 1.168 213 HG23 THR 25 2HG2 THR 25 -0.090 -10.488 2.845 214 H ALA 26 H ALA 26 -0.035 -12.636 -0.252 215 HA ALA 26 HA ALA 26 2.667 -13.532 -0.608 216 HB1 ALA 26 1HB ALA 26 1.409 -11.843 -2.672 217 HB2 ALA 26 2HB ALA 26 0.590 -13.357 -2.282 218 HB3 ALA 26 3HB ALA 26 2.268 -13.378 -2.827 219 H GLU 27 H GLU 27 4.177 -12.340 0.409 220 HA GLU 27 HA GLU 27 4.067 -9.626 0.982 221 HB2 GLU 27 2HB GLU 27 6.658 -11.069 0.455 222 HB3 GLU 27 1HB GLU 27 6.346 -9.766 1.594 223 HG2 GLU 27 2HG GLU 27 4.636 -11.776 2.412 224 HG3 GLU 27 1HG GLU 27 6.098 -12.633 1.929 225 H LYS 28 H LYS 28 5.075 -11.256 -1.946 226 HA LYS 28 HA LYS 28 6.606 -9.436 -3.254 227 HB2 LYS 28 2HB LYS 28 4.852 -11.576 -4.018 228 HB3 LYS 28 1HB LYS 28 4.679 -10.254 -5.159 229 HG2 LYS 28 2HG LYS 28 6.412 -11.232 -6.178 230 HG3 LYS 28 1HG LYS 28 7.361 -10.366 -4.968 231 HD2 LYS 28 2HD LYS 28 6.487 -12.768 -3.768 232 HD3 LYS 28 1HD LYS 28 7.096 -13.187 -5.371 233 HE2 LYS 28 2HE LYS 28 9.152 -11.867 -4.837 234 HE3 LYS 28 1HE LYS 28 8.553 -11.707 -3.188 235 HZ1 LYS 28 3HZ LYS 28 10.172 -13.623 -3.797 236 HZ2 LYS 28 1HZ LYS 28 8.780 -14.386 -4.381 237 HZ3 LYS 28 2HZ LYS 28 8.875 -13.925 -2.756 238 H TYR 29 H TYR 29 3.161 -9.229 -2.623 239 HA TYR 29 HA TYR 29 2.692 -6.970 -4.284 240 HB2 TYR 29 2HB TYR 29 1.135 -8.699 -2.674 241 HB3 TYR 29 1HB TYR 29 0.846 -7.058 -2.090 242 HD1 TYR 29 2HD TYR 29 0.616 -5.340 -4.241 243 HD2 TYR 29 1HD TYR 29 -0.349 -9.475 -4.154 244 HE1 TYR 29 2HE TYR 29 -0.942 -5.011 -6.114 245 HE2 TYR 29 1HE TYR 29 -1.898 -9.166 -6.011 246 HH TYR 29 HH TYR 29 -2.013 -6.278 -7.864 247 H ILE 30 H ILE 30 3.440 -7.375 -0.831 248 HA ILE 30 HA ILE 30 3.174 -4.704 -0.063 249 HB ILE 30 HB ILE 30 3.640 -6.782 1.414 250 HG12 ILE 30 2HG1 ILE 30 3.320 -4.550 2.356 251 HG13 ILE 30 1HG1 ILE 30 4.596 -5.402 3.213 252 HG21 ILE 30 1HG2 ILE 30 5.671 -7.670 1.549 253 HG22 ILE 30 2HG2 ILE 30 6.432 -6.090 1.724 254 HG23 ILE 30 3HG2 ILE 30 6.089 -6.729 0.122 255 HD11 ILE 30 3HD1 ILE 30 5.653 -3.438 2.975 256 HD12 ILE 30 1HD1 ILE 30 4.730 -2.986 1.544 257 HD13 ILE 30 2HD1 ILE 30 6.078 -4.114 1.401 258 H LYS 31 H LYS 31 5.678 -6.380 -1.794 259 HA LYS 31 HA LYS 31 7.662 -4.349 -1.640 260 HB2 LYS 31 2HB LYS 31 8.179 -6.694 -2.229 261 HB3 LYS 31 1HB LYS 31 7.260 -6.509 -3.722 262 HG2 LYS 31 2HG LYS 31 8.840 -4.782 -4.463 263 HG3 LYS 31 1HG LYS 31 9.771 -5.016 -2.983 264 HD2 LYS 31 2HD LYS 31 10.864 -6.280 -4.648 265 HD3 LYS 31 1HD LYS 31 9.975 -7.445 -3.662 266 HE2 LYS 31 2HE LYS 31 8.314 -7.722 -5.305 267 HE3 LYS 31 1HE LYS 31 8.830 -6.284 -6.180 268 HZ1 LYS 31 3HZ LYS 31 9.480 -8.539 -7.120 269 HZ2 LYS 31 1HZ LYS 31 10.625 -8.602 -5.872 270 HZ3 LYS 31 2HZ LYS 31 10.690 -7.361 -7.020 271 H LEU 32 H LEU 32 4.901 -4.995 -3.662 272 HA LEU 32 HA LEU 32 5.506 -3.179 -5.755 273 HB2 LEU 32 2HB LEU 32 3.563 -5.081 -5.281 274 HB3 LEU 32 1HB LEU 32 2.657 -3.576 -5.191 275 HG LEU 32 HG LEU 32 4.469 -3.862 -7.515 276 HD11 LEU 32 1HD1 LEU 32 3.268 -5.443 -8.679 277 HD12 LEU 32 2HD1 LEU 32 1.843 -5.271 -7.656 278 HD13 LEU 32 3HD1 LEU 32 3.263 -6.125 -7.052 279 HD21 LEU 32 3HD2 LEU 32 1.859 -2.623 -6.833 280 HD22 LEU 32 1HD2 LEU 32 2.152 -3.064 -8.516 281 HD23 LEU 32 2HD2 LEU 32 3.243 -1.948 -7.693 282 H ILE 33 H ILE 33 3.986 -2.855 -2.620 283 HA ILE 33 HA ILE 33 2.938 -0.237 -3.117 284 HB ILE 33 HB ILE 33 2.086 -0.246 -0.974 285 HG12 ILE 33 2HG1 ILE 33 3.222 -2.109 0.663 286 HG13 ILE 33 1HG1 ILE 33 4.619 -1.583 -0.268 287 HG21 ILE 33 1HG2 ILE 33 0.926 -2.193 -0.828 288 HG22 ILE 33 2HG2 ILE 33 2.358 -3.196 -1.051 289 HG23 ILE 33 3HG2 ILE 33 1.617 -2.397 -2.437 290 HD11 ILE 33 3HD1 ILE 33 4.580 -0.223 1.631 291 HD12 ILE 33 1HD1 ILE 33 2.843 0.051 1.501 292 HD13 ILE 33 2HD1 ILE 33 3.941 0.782 0.331 293 H ALA 34 H ALA 34 5.936 -1.530 -1.902 294 HA ALA 34 HA ALA 34 6.979 0.642 -0.539 295 HB1 ALA 34 1HB ALA 34 8.666 -0.787 -0.362 296 HB2 ALA 34 2HB ALA 34 9.092 -0.491 -2.048 297 HB3 ALA 34 3HB ALA 34 7.971 -1.790 -1.634 298 H ASN 35 H ASN 35 6.420 0.248 -3.936 299 HA ASN 35 HA ASN 35 8.012 2.625 -4.567 300 HB2 ASN 35 2HB ASN 35 7.248 0.222 -6.015 301 HB3 ASN 35 1HB ASN 35 6.876 1.682 -6.939 302 HD21 ASN 35 1HD2 ASN 35 8.795 3.373 -6.536 303 HD22 ASN 35 2HD2 ASN 35 10.348 2.728 -6.936 304 H ALA 36 H ALA 36 4.919 1.939 -3.625 305 HA ALA 36 HA ALA 36 3.232 3.293 -5.339 306 HB1 ALA 36 1HB ALA 36 2.802 1.996 -3.088 307 HB2 ALA 36 2HB ALA 36 1.663 3.204 -3.679 308 HB3 ALA 36 3HB ALA 36 2.818 3.624 -2.413 309 H LYS 37 H LYS 37 2.788 5.372 -5.786 310 HA LYS 37 HA LYS 37 4.479 7.402 -4.497 311 HB2 LYS 37 2HB LYS 37 4.483 7.098 -7.031 312 HB3 LYS 37 1HB LYS 37 2.860 7.795 -7.014 313 HG2 LYS 37 2HG LYS 37 4.379 9.565 -5.517 314 HG3 LYS 37 1HG LYS 37 5.444 9.093 -6.845 315 HD2 LYS 37 2HD LYS 37 4.360 10.724 -7.958 316 HD3 LYS 37 1HD LYS 37 3.121 9.486 -8.177 317 HE2 LYS 37 2HE LYS 37 1.689 10.857 -7.167 318 HE3 LYS 37 1HE LYS 37 2.591 10.595 -5.675 319 HZ1 LYS 37 3HZ LYS 37 4.024 12.480 -6.310 320 HZ2 LYS 37 1HZ LYS 37 2.411 12.936 -6.099 321 HZ3 LYS 37 2HZ LYS 37 3.040 12.765 -7.656 322 H THR 38 H THR 38 1.171 6.489 -5.084 323 HA THR 38 HA THR 38 0.208 8.932 -3.784 324 HB THR 38 HB THR 38 -2.059 8.055 -4.477 325 HG1 THR 38 1HG THR 38 -0.547 6.260 -6.058 326 HG21 THR 38 3HG2 THR 38 -0.300 8.265 -6.884 327 HG22 THR 38 1HG2 THR 38 -0.628 9.663 -5.859 328 HG23 THR 38 2HG2 THR 38 -1.957 8.826 -6.662 329 H VAL 39 H VAL 39 -0.870 8.908 -1.853 330 HA VAL 39 HA VAL 39 -0.273 6.945 0.025 331 HB VAL 39 HB VAL 39 -2.605 8.866 0.116 332 HG11 VAL 39 1HG1 VAL 39 -1.289 8.210 2.622 333 HG12 VAL 39 2HG1 VAL 39 -2.002 6.798 1.843 334 HG13 VAL 39 3HG1 VAL 39 -3.003 8.201 2.208 335 HG21 VAL 39 3HG2 VAL 39 -0.047 9.614 -0.202 336 HG22 VAL 39 1HG2 VAL 39 -0.091 9.451 1.553 337 HG23 VAL 39 2HG2 VAL 39 -1.214 10.539 0.740 338 H GLU 40 H GLU 40 -3.307 7.470 -1.763 339 HA GLU 40 HA GLU 40 -4.719 5.323 -0.622 340 HB2 GLU 40 2HB GLU 40 -5.349 7.349 -2.336 341 HB3 GLU 40 1HB GLU 40 -5.365 5.968 -3.425 342 HG2 GLU 40 2HG GLU 40 -7.477 5.724 -2.763 343 HG3 GLU 40 1HG GLU 40 -6.779 5.008 -1.311 344 H GLY 41 H GLY 41 -2.667 5.538 -3.494 345 HA2 GLY 41 2HA GLY 41 -3.156 3.026 -4.593 346 HA3 GLY 41 1HA GLY 41 -1.649 3.912 -4.753 347 H VAL 42 H VAL 42 -1.178 3.914 -1.854 348 HA VAL 42 HA VAL 42 0.154 1.371 -1.718 349 HB VAL 42 HB VAL 42 0.033 3.068 0.720 350 HG11 VAL 42 1HG1 VAL 42 2.315 2.465 0.946 351 HG12 VAL 42 2HG1 VAL 42 2.413 1.932 -0.733 352 HG13 VAL 42 3HG1 VAL 42 1.457 1.012 0.434 353 HG21 VAL 42 3HG2 VAL 42 2.000 4.384 -0.553 354 HG22 VAL 42 1HG2 VAL 42 0.335 4.961 -0.480 355 HG23 VAL 42 2HG2 VAL 42 0.906 4.096 -1.905 356 H TRP 43 H TRP 43 -2.354 2.989 0.234 357 HA TRP 43 HA TRP 43 -2.851 0.891 2.008 358 HB2 TRP 43 2HB TRP 43 -4.215 3.350 1.201 359 HB3 TRP 43 1HB TRP 43 -5.328 2.077 1.667 360 HD1 TRP 43 HD TRP 43 -5.301 1.257 4.194 361 HE1 TRP 43 1HE TRP 43 -4.439 2.348 6.354 362 HE3 TRP 43 3HE TRP 43 -2.296 4.881 2.156 363 HZ2 TRP 43 2HZ TRP 43 -2.728 4.451 7.103 364 HZ3 TRP 43 3HZ TRP 43 -1.092 6.386 3.674 365 HH2 TRP 43 HH TRP 43 -1.302 6.175 6.093 366 H THR 44 H THR 44 -4.107 1.514 -1.223 367 HA THR 44 HA THR 44 -6.082 -0.513 -1.205 368 HB THR 44 HB THR 44 -6.184 -0.190 -3.614 369 HG1 THR 44 1HG THR 44 -3.713 1.104 -3.213 370 HG21 THR 44 3HG2 THR 44 -5.970 2.499 -3.522 371 HG22 THR 44 1HG2 THR 44 -6.137 2.115 -1.810 372 HG23 THR 44 2HG2 THR 44 -7.368 1.585 -2.956 373 H LEU 45 H LEU 45 -2.712 -0.454 -2.321 374 HA LEU 45 HA LEU 45 -2.631 -2.956 -3.531 375 HB2 LEU 45 2HB LEU 45 -0.463 -1.494 -2.023 376 HB3 LEU 45 1HB LEU 45 -0.192 -2.932 -2.988 377 HD11 LEU 45 1HD2 LEU 45 0.846 0.104 -3.258 378 HD12 LEU 45 2HD2 LEU 45 0.863 0.068 -5.021 379 HD13 LEU 45 3HD2 LEU 45 1.514 -1.291 -4.104 380 HD21 LEU 45 3HD1 LEU 45 -1.419 -2.881 -5.161 381 HD22 LEU 45 1HD1 LEU 45 0.136 -2.321 -5.774 382 HD23 LEU 45 2HD1 LEU 45 -1.331 -1.412 -6.133 383 H LYS 46 H LYS 46 -1.949 -2.143 -0.117 384 HA LYS 46 HA LYS 46 -1.464 -4.820 0.681 385 HB2 LYS 46 2HB LYS 46 -1.762 -3.959 2.987 386 HB3 LYS 46 1HB LYS 46 -0.646 -2.996 2.031 387 HG2 LYS 46 2HG LYS 46 -2.503 -1.391 1.606 388 HG3 LYS 46 1HG LYS 46 -3.487 -2.318 2.741 389 HD2 LYS 46 2HD LYS 46 -1.513 -1.968 4.375 390 HD3 LYS 46 1HD LYS 46 -1.035 -0.680 3.267 391 HE2 LYS 46 2HE LYS 46 -2.371 0.577 4.577 392 HE3 LYS 46 1HE LYS 46 -3.648 -0.102 3.568 393 HZ1 LYS 46 3HZ LYS 46 -2.764 -1.220 6.174 394 HZ2 LYS 46 1HZ LYS 46 -4.043 -1.790 5.221 395 HZ3 LYS 46 2HZ LYS 46 -4.141 -0.264 5.945 396 H ASP 47 H ASP 47 -4.318 -2.721 0.999 397 HA ASP 47 HA ASP 47 -5.993 -4.641 2.193 398 HB2 ASP 47 2HB ASP 47 -6.486 -2.076 0.713 399 HB3 ASP 47 1HB ASP 47 -7.836 -3.095 1.206 400 H GLU 48 H GLU 48 -5.023 -4.117 -1.077 401 HA GLU 48 HA GLU 48 -7.194 -5.436 -2.351 402 HB2 GLU 48 2HB GLU 48 -5.793 -3.891 -3.589 403 HB3 GLU 48 1HB GLU 48 -4.375 -4.889 -3.296 404 HG2 GLU 48 2HG GLU 48 -5.292 -6.657 -4.659 405 HG3 GLU 48 1HG GLU 48 -6.784 -5.745 -4.882 406 H ILE 49 H ILE 49 -4.044 -6.495 -1.147 407 HA ILE 49 HA ILE 49 -4.203 -9.115 -2.245 408 HB ILE 49 HB ILE 49 -2.670 -8.505 0.261 409 HG12 ILE 49 2HG1 ILE 49 -1.130 -8.138 -2.177 410 HG13 ILE 49 1HG1 ILE 49 -2.427 -6.955 -2.047 411 HG21 ILE 49 1HG2 ILE 49 -1.869 -10.192 -2.090 412 HG22 ILE 49 2HG2 ILE 49 -2.864 -10.816 -0.774 413 HG23 ILE 49 3HG2 ILE 49 -1.236 -10.225 -0.445 414 HD11 ILE 49 3HD1 ILE 49 -0.025 -7.339 -0.359 415 HD12 ILE 49 1HD1 ILE 49 -1.493 -6.741 0.412 416 HD13 ILE 49 2HD1 ILE 49 -0.781 -5.855 -0.938 417 H LYS 50 H LYS 50 -5.155 -7.685 0.839 418 HA LYS 50 HA LYS 50 -5.864 -10.186 2.034 419 HB2 LYS 50 2HB LYS 50 -6.205 -7.314 2.760 420 HB3 LYS 50 1HB LYS 50 -7.195 -8.508 3.585 421 HG2 LYS 50 2HG LYS 50 -5.294 -8.154 4.935 422 HG3 LYS 50 1HG LYS 50 -5.069 -9.721 4.155 423 HD2 LYS 50 2HD LYS 50 -3.076 -8.989 3.479 424 HD3 LYS 50 1HD LYS 50 -3.929 -7.890 2.396 425 HE2 LYS 50 2HE LYS 50 -3.068 -7.295 5.225 426 HE3 LYS 50 1HE LYS 50 -2.306 -6.686 3.756 427 HZ1 LYS 50 3HZ LYS 50 -3.884 -5.140 3.484 428 HZ2 LYS 50 1HZ LYS 50 -4.195 -5.381 5.129 429 HZ3 LYS 50 2HZ LYS 50 -5.143 -6.160 3.967 430 H THR 51 H THR 51 -7.482 -7.896 -0.009 431 HA THR 51 HA THR 51 -10.119 -8.947 0.561 432 HB THR 51 HB THR 51 -10.744 -7.417 -1.402 433 HG1 THR 51 1HG THR 51 -9.213 -5.992 -2.075 434 HG21 THR 51 3HG2 THR 51 -10.521 -5.358 -0.114 435 HG22 THR 51 1HG2 THR 51 -9.417 -6.173 0.994 436 HG23 THR 51 2HG2 THR 51 -11.099 -6.694 0.883 437 H PHE 52 H PHE 52 -7.588 -9.394 -1.794 438 HA PHE 52 HA PHE 52 -8.602 -11.818 -2.712 439 HB2 PHE 52 2HB PHE 52 -10.155 -10.007 -3.801 440 HB3 PHE 52 1HB PHE 52 -8.784 -9.720 -4.864 441 HD1 PHE 52 1HD PHE 52 -10.754 -12.620 -3.552 442 HD2 PHE 52 2HD PHE 52 -8.787 -10.812 -6.871 443 HE1 PHE 52 1HE PHE 52 -11.475 -14.479 -4.990 444 HE2 PHE 52 2HE PHE 52 -9.507 -12.671 -8.311 445 HZ PHE 52 HZ PHE 52 -10.855 -14.507 -7.373 446 H THR 53 H THR 53 -7.370 -12.307 -4.962 447 HA THR 53 HA THR 53 -4.700 -11.106 -4.835 448 HB THR 53 HB THR 53 -3.789 -13.432 -5.307 449 HG1 THR 53 1HG THR 53 -5.121 -15.150 -4.735 450 HG21 THR 53 3HG2 THR 53 -5.053 -13.692 -2.671 451 HG22 THR 53 1HG2 THR 53 -4.129 -12.214 -2.935 452 HG23 THR 53 2HG2 THR 53 -3.354 -13.786 -3.139 453 H VAL 54 H VAL 54 -6.033 -9.999 -6.656 454 HA VAL 54 HA VAL 54 -6.550 -11.332 -9.070 455 HB VAL 54 HB VAL 54 -6.306 -9.018 -10.105 456 HG11 VAL 54 1HG1 VAL 54 -8.167 -8.712 -7.840 457 HG12 VAL 54 2HG1 VAL 54 -8.356 -10.174 -8.804 458 HG13 VAL 54 3HG1 VAL 54 -8.457 -8.592 -9.574 459 HG21 VAL 54 3HG2 VAL 54 -5.989 -7.135 -8.724 460 HG22 VAL 54 1HG2 VAL 54 -4.707 -8.262 -8.283 461 HG23 VAL 54 2HG2 VAL 54 -6.127 -8.092 -7.251 462 H THR 55 H THR 55 -5.260 -12.099 -10.609 463 HA THR 55 HA THR 55 -2.587 -10.966 -10.960 464 HB THR 55 HB THR 55 -1.643 -13.294 -11.124 465 HG1 THR 55 1HG THR 55 -2.820 -14.980 -10.407 466 HG21 THR 55 3HG2 THR 55 -2.494 -11.995 -8.641 467 HG22 THR 55 1HG2 THR 55 -0.908 -12.586 -9.135 468 HG23 THR 55 2HG2 THR 55 -2.110 -13.709 -8.499 469 H GLU 56 H GLU 56 -2.343 -10.483 -13.028 470 HA GLU 56 HA GLU 56 -4.112 -11.540 -15.029 471 HB2 GLU 56 2HB GLU 56 -3.381 -9.197 -15.086 472 HB3 GLU 56 1HB GLU 56 -1.715 -9.717 -15.300 473 HG2 GLU 56 2HG GLU 56 -2.485 -9.087 -17.427 474 HG3 GLU 56 1HG GLU 56 -2.464 -10.850 -17.421 Start of MODEL 5 1 H1 THR 1 1HT THR 1 13.135 17.455 -3.276 2 H2 THR 1 2HT THR 1 14.168 17.304 -4.638 3 H3 THR 1 3HT THR 1 12.997 18.562 -4.574 4 HA THR 1 HA THR 1 15.333 19.196 -4.113 5 HB THR 1 HB THR 1 14.486 20.447 -1.959 6 HG1 THR 1 1HG THR 1 12.067 19.404 -3.007 7 HG21 THR 1 1HG2 THR 1 13.127 20.798 -4.611 8 HG22 THR 1 2HG2 THR 1 14.638 21.548 -4.106 9 HG23 THR 1 3HG2 THR 1 13.123 21.967 -3.296 10 H THR 2 H THR 2 16.750 19.585 -2.191 11 HA THR 2 HA THR 2 18.228 18.733 -0.692 12 HB THR 2 HB THR 2 17.253 17.724 1.329 13 HG1 THR 2 1HG THR 2 15.229 17.007 1.383 14 HG21 THR 2 3HG2 THR 2 17.009 19.967 1.596 15 HG22 THR 2 1HG2 THR 2 15.318 19.473 1.625 16 HG23 THR 2 2HG2 THR 2 16.004 20.146 0.153 17 H TYR 3 H TYR 3 16.069 15.952 -0.359 18 HA TYR 3 HA TYR 3 17.603 14.281 -2.111 19 HB2 TYR 3 2HB TYR 3 18.349 14.478 0.700 20 HB3 TYR 3 1HB TYR 3 17.924 12.833 0.250 21 HD1 TYR 3 1HD TYR 3 19.092 11.816 -1.790 22 HD2 TYR 3 2HD TYR 3 20.460 15.339 0.159 23 HE1 TYR 3 1HE TYR 3 21.308 11.499 -2.798 24 HE2 TYR 3 2HE TYR 3 22.687 15.035 -0.840 25 HH TYR 3 HH TYR 3 23.281 12.836 -3.368 26 H LYS 4 H LYS 4 15.492 14.230 0.752 27 HA LYS 4 HA LYS 4 13.722 12.392 -0.704 28 HB2 LYS 4 2HB LYS 4 13.254 11.186 1.359 29 HB3 LYS 4 1HB LYS 4 14.974 11.141 1.005 30 HG2 LYS 4 2HG LYS 4 13.979 13.299 2.778 31 HG3 LYS 4 1HG LYS 4 14.045 11.661 3.428 32 HD2 LYS 4 2HD LYS 4 16.373 13.044 2.100 33 HD3 LYS 4 1HD LYS 4 16.102 13.016 3.842 34 HE2 LYS 4 2HE LYS 4 15.941 10.364 2.694 35 HE3 LYS 4 1HE LYS 4 17.480 11.133 2.341 36 HZ1 LYS 4 3HZ LYS 4 18.007 10.313 4.347 37 HZ2 LYS 4 1HZ LYS 4 16.405 10.251 4.884 38 HZ3 LYS 4 2HZ LYS 4 17.244 11.714 4.907 39 H LEU 5 H LEU 5 11.568 12.219 0.728 40 HA LEU 5 HA LEU 5 10.688 14.513 2.095 41 HB2 LEU 5 2HB LEU 5 10.982 14.980 -0.602 42 HB3 LEU 5 1HB LEU 5 9.276 14.596 -0.454 43 HG LEU 5 HG LEU 5 9.620 16.996 -0.321 44 HD11 LEU 5 1HD1 LEU 5 8.128 17.346 1.355 45 HD12 LEU 5 2HD1 LEU 5 8.994 16.322 2.497 46 HD13 LEU 5 3HD1 LEU 5 7.999 15.590 1.241 47 HD21 LEU 5 3HD2 LEU 5 10.871 18.001 1.499 48 HD22 LEU 5 1HD2 LEU 5 11.915 16.957 0.537 49 HD23 LEU 5 2HD2 LEU 5 11.315 16.405 2.100 50 H ILE 6 H ILE 6 9.681 13.011 3.406 51 HA ILE 6 HA ILE 6 7.709 11.217 2.240 52 HB ILE 6 HB ILE 6 8.499 11.462 5.138 53 HG12 ILE 6 2HG1 ILE 6 9.459 9.151 3.580 54 HG13 ILE 6 1HG1 ILE 6 10.188 10.690 3.133 55 HG21 ILE 6 1HG2 ILE 6 6.670 9.731 3.618 56 HG22 ILE 6 2HG2 ILE 6 6.623 10.221 5.308 57 HG23 ILE 6 3HG2 ILE 6 7.696 8.915 4.800 58 HD11 ILE 6 3HD1 ILE 6 10.596 10.974 5.663 59 HD12 ILE 6 1HD1 ILE 6 11.624 9.871 4.747 60 HD13 ILE 6 2HD1 ILE 6 10.311 9.234 5.737 61 H LEU 7 H LEU 7 5.712 11.943 1.960 62 HA LEU 7 HA LEU 7 4.711 14.143 3.586 63 HB2 LEU 7 2HB LEU 7 3.605 12.753 1.149 64 HB3 LEU 7 1HB LEU 7 2.767 14.038 1.997 65 HG LEU 7 HG LEU 7 5.070 15.310 1.548 66 HD11 LEU 7 1HD1 LEU 7 5.648 13.014 0.266 67 HD12 LEU 7 2HD1 LEU 7 6.315 14.584 -0.181 68 HD13 LEU 7 3HD1 LEU 7 4.925 13.938 -1.053 69 HD21 LEU 7 3HD2 LEU 7 3.336 15.206 -0.835 70 HD22 LEU 7 1HD2 LEU 7 3.859 16.585 0.134 71 HD23 LEU 7 2HD2 LEU 7 2.534 15.567 0.694 72 H ASN 8 H ASN 8 3.455 10.980 2.511 73 HA ASN 8 HA ASN 8 2.539 10.345 5.160 74 HB2 ASN 8 2HB ASN 8 0.792 11.884 3.791 75 HB3 ASN 8 1HB ASN 8 0.296 10.292 3.226 76 HD21 ASN 8 1HD2 ASN 8 -1.245 9.396 4.367 77 HD22 ASN 8 2HD2 ASN 8 -1.552 9.648 6.049 78 H LEU 9 H LEU 9 4.257 9.229 3.073 79 HA LEU 9 HA LEU 9 2.839 6.863 2.146 80 HB2 LEU 9 2HB LEU 9 5.663 7.853 1.767 81 HB3 LEU 9 1HB LEU 9 5.131 6.266 1.220 82 HG LEU 9 HG LEU 9 5.162 7.973 -0.579 83 HD11 LEU 9 1HD1 LEU 9 2.800 6.401 0.215 84 HD12 LEU 9 2HD1 LEU 9 3.746 6.366 -1.274 85 HD13 LEU 9 3HD1 LEU 9 2.534 7.623 -1.031 86 HD21 LEU 9 3HD2 LEU 9 3.879 9.878 -0.566 87 HD22 LEU 9 1HD2 LEU 9 4.326 9.769 1.137 88 HD23 LEU 9 2HD2 LEU 9 2.732 9.229 0.607 89 H LYS 10 H LYS 10 5.465 7.778 4.283 90 HA LYS 10 HA LYS 10 6.407 5.406 5.222 91 HB2 LYS 10 2HB LYS 10 6.341 8.125 6.071 92 HB3 LYS 10 1HB LYS 10 6.015 7.114 7.476 93 HG2 LYS 10 2HG LYS 10 8.248 6.202 5.804 94 HG3 LYS 10 1HG LYS 10 8.485 7.768 6.574 95 HD2 LYS 10 2HD LYS 10 8.559 6.881 8.657 96 HD3 LYS 10 1HD LYS 10 7.370 5.631 8.280 97 HE2 LYS 10 2HE LYS 10 9.863 5.290 6.819 98 HE3 LYS 10 1HE LYS 10 10.093 5.266 8.564 99 HZ1 LYS 10 3HZ LYS 10 8.987 3.337 8.776 100 HZ2 LYS 10 1HZ LYS 10 9.394 3.128 7.145 101 HZ3 LYS 10 2HZ LYS 10 7.860 3.700 7.564 102 H GLN 11 H GLN 11 3.393 6.995 6.019 103 HA GLN 11 HA GLN 11 2.630 5.190 8.097 104 HB2 GLN 11 2HB GLN 11 1.732 7.444 8.036 105 HB3 GLN 11 1HB GLN 11 1.041 7.160 6.444 106 HG2 GLN 11 2HG GLN 11 -0.676 5.879 7.267 107 HG3 GLN 11 1HG GLN 11 0.222 5.408 8.710 108 HE21 GLN 11 1HE2 GLN 11 -2.458 6.786 8.069 109 HE22 GLN 11 2HE2 GLN 11 -2.489 8.113 9.174 110 H ALA 12 H ALA 12 1.921 5.515 4.652 111 HA ALA 12 HA ALA 12 0.046 3.387 4.527 112 HB1 ALA 12 1HB ALA 12 0.976 5.351 2.784 113 HB2 ALA 12 2HB ALA 12 -0.256 4.133 2.453 114 HB3 ALA 12 3HB ALA 12 1.429 3.823 2.031 115 H LYS 13 H LYS 13 3.516 3.620 3.817 116 HA LYS 13 HA LYS 13 3.812 0.923 2.999 117 HB2 LYS 13 2HB LYS 13 5.951 2.699 4.181 118 HB3 LYS 13 1HB LYS 13 6.184 1.312 3.125 119 HG2 LYS 13 2HG LYS 13 4.574 2.885 1.600 120 HG3 LYS 13 1HG LYS 13 5.521 4.087 2.476 121 HD2 LYS 13 2HD LYS 13 7.578 2.800 1.788 122 HD3 LYS 13 1HD LYS 13 6.534 1.854 0.727 123 HE2 LYS 13 2HE LYS 13 6.962 4.838 0.626 124 HE3 LYS 13 1HE LYS 13 7.599 3.650 -0.511 125 HZ1 LYS 13 3HZ LYS 13 4.697 4.027 -0.040 126 HZ2 LYS 13 1HZ LYS 13 5.443 3.180 -1.301 127 HZ3 LYS 13 2HZ LYS 13 5.547 4.868 -1.237 128 H GLU 14 H GLU 14 4.569 2.568 6.064 129 HA GLU 14 HA GLU 14 5.529 0.435 7.523 130 HB2 GLU 14 2HB GLU 14 5.485 2.712 8.437 131 HB3 GLU 14 1HB GLU 14 3.729 2.646 8.551 132 HG2 GLU 14 2HG GLU 14 4.555 0.421 9.955 133 HG3 GLU 14 1HG GLU 14 5.756 1.646 10.362 134 H GLU 15 H GLU 15 2.165 1.316 6.918 135 HA GLU 15 HA GLU 15 1.047 -0.736 8.541 136 HB2 GLU 15 2HB GLU 15 -0.010 1.464 7.525 137 HB3 GLU 15 1HB GLU 15 -0.433 0.386 6.203 138 HG2 GLU 15 2HG GLU 15 -2.237 0.626 7.845 139 HG3 GLU 15 1HG GLU 15 -1.673 -1.038 7.696 140 H ALA 16 H ALA 16 2.073 -0.516 5.201 141 HA ALA 16 HA ALA 16 0.819 -2.729 4.104 142 HB1 ALA 16 1HB ALA 16 2.587 -2.761 2.453 143 HB2 ALA 16 2HB ALA 16 3.620 -1.787 3.501 144 HB3 ALA 16 3HB ALA 16 2.147 -1.092 2.822 145 H ILE 17 H ILE 17 3.877 -2.569 5.901 146 HA ILE 17 HA ILE 17 4.372 -5.382 5.703 147 HB ILE 17 HB ILE 17 5.573 -3.497 7.740 148 HG12 ILE 17 2HG1 ILE 17 7.541 -3.655 6.003 149 HG13 ILE 17 1HG1 ILE 17 6.257 -4.024 4.858 150 HG21 ILE 17 1HG2 ILE 17 6.682 -6.060 6.619 151 HG22 ILE 17 2HG2 ILE 17 5.770 -5.961 8.124 152 HG23 ILE 17 3HG2 ILE 17 7.307 -5.110 7.968 153 HD11 ILE 17 3HD1 ILE 17 5.588 -1.723 6.448 154 HD12 ILE 17 1HD1 ILE 17 5.704 -1.894 4.696 155 HD13 ILE 17 2HD1 ILE 17 7.143 -1.518 5.643 156 H LYS 18 H LYS 18 3.283 -3.280 8.333 157 HA LYS 18 HA LYS 18 2.902 -5.153 10.326 158 HB2 LYS 18 2HB LYS 18 2.750 -2.732 10.698 159 HB3 LYS 18 1HB LYS 18 1.258 -2.676 9.770 160 HG2 LYS 18 2HG LYS 18 0.275 -4.256 11.467 161 HG3 LYS 18 1HG LYS 18 1.725 -3.982 12.435 162 HD2 LYS 18 2HD LYS 18 0.401 -1.543 11.463 163 HD3 LYS 18 1HD LYS 18 -0.544 -2.499 12.606 164 HE2 LYS 18 2HE LYS 18 0.897 -2.120 14.325 165 HE3 LYS 18 1HE LYS 18 2.304 -2.026 13.267 166 HZ1 LYS 18 3HZ LYS 18 2.128 0.151 13.767 167 HZ2 LYS 18 1HZ LYS 18 0.473 0.071 14.111 168 HZ3 LYS 18 2HZ LYS 18 1.001 0.149 12.506 169 H GLU 19 H GLU 19 0.571 -4.038 7.870 170 HA GLU 19 HA GLU 19 -1.564 -5.656 8.683 171 HB2 GLU 19 2HB GLU 19 -0.849 -4.722 5.890 172 HB3 GLU 19 1HB GLU 19 -2.400 -5.402 6.355 173 HG2 GLU 19 2HG GLU 19 -1.537 -3.128 7.985 174 HG3 GLU 19 1HG GLU 19 -1.815 -2.754 6.284 175 H LEU 20 H LEU 20 1.122 -6.250 6.467 176 HA LEU 20 HA LEU 20 0.336 -8.867 5.723 177 HB2 LEU 20 2HB LEU 20 2.356 -7.090 5.064 178 HB3 LEU 20 1HB LEU 20 3.214 -8.416 5.834 179 HG LEU 20 HG LEU 20 1.698 -9.857 4.183 180 HD11 LEU 20 1HD1 LEU 20 0.434 -8.509 2.939 181 HD12 LEU 20 2HD1 LEU 20 1.916 -8.234 2.015 182 HD13 LEU 20 3HD1 LEU 20 1.429 -7.094 3.277 183 HD21 LEU 20 3HD2 LEU 20 3.579 -10.131 2.870 184 HD22 LEU 20 1HD2 LEU 20 4.272 -9.456 4.343 185 HD23 LEU 20 2HD2 LEU 20 4.008 -8.423 2.942 186 H VAL 21 H VAL 21 2.032 -7.457 8.414 187 HA VAL 21 HA VAL 21 3.051 -9.892 9.478 188 HB VAL 21 HB VAL 21 2.634 -7.314 10.993 189 HG11 VAL 21 1HG1 VAL 21 4.459 -9.664 11.485 190 HG12 VAL 21 2HG1 VAL 21 3.018 -9.250 12.413 191 HG13 VAL 21 3HG1 VAL 21 4.416 -8.170 12.428 192 HG21 VAL 21 3HG2 VAL 21 4.229 -6.411 9.726 193 HG22 VAL 21 1HG2 VAL 21 4.426 -7.908 8.828 194 HG23 VAL 21 2HG2 VAL 21 5.341 -7.641 10.312 195 H ASP 22 H ASP 22 0.129 -7.991 9.933 196 HA ASP 22 HA ASP 22 -0.772 -9.652 12.131 197 HB2 ASP 22 2HB ASP 22 -1.221 -7.061 11.559 198 HB3 ASP 22 1HB ASP 22 -2.656 -7.777 10.830 199 H ALA 23 H ALA 23 -1.026 -9.636 8.712 200 HA ALA 23 HA ALA 23 -3.280 -11.529 8.847 201 HB1 ALA 23 1HB ALA 23 -3.396 -10.929 6.308 202 HB2 ALA 23 2HB ALA 23 -2.500 -9.501 6.809 203 HB3 ALA 23 3HB ALA 23 -4.081 -9.844 7.511 204 H GLY 24 H GLY 24 -0.442 -10.844 6.784 205 HA2 GLY 24 2HA GLY 24 1.280 -12.375 6.278 206 HA3 GLY 24 1HA GLY 24 0.261 -13.677 6.884 207 H THR 25 H THR 25 1.578 -12.409 4.149 208 HA THR 25 HA THR 25 0.075 -14.094 2.422 209 HB THR 25 HB THR 25 -1.550 -12.229 2.728 210 HG1 THR 25 1HG THR 25 -1.918 -13.075 0.818 211 HG21 THR 25 3HG2 THR 25 -1.175 -10.063 1.997 212 HG22 THR 25 1HG2 THR 25 0.296 -10.506 1.129 213 HG23 THR 25 2HG2 THR 25 0.290 -10.464 2.894 214 H ALA 26 H ALA 26 0.465 -12.910 0.009 215 HA ALA 26 HA ALA 26 3.195 -13.413 -0.488 216 HB1 ALA 26 1HB ALA 26 1.675 -11.823 -2.461 217 HB2 ALA 26 2HB ALA 26 0.983 -13.378 -2.005 218 HB3 ALA 26 3HB ALA 26 2.614 -13.298 -2.672 219 H GLU 27 H GLU 27 4.400 -12.020 0.842 220 HA GLU 27 HA GLU 27 4.178 -9.313 1.173 221 HB2 GLU 27 2HB GLU 27 6.627 -9.291 1.572 222 HB3 GLU 27 1HB GLU 27 5.807 -10.597 2.409 223 HG2 GLU 27 2HG GLU 27 6.465 -11.952 0.260 224 HG3 GLU 27 1HG GLU 27 7.697 -10.704 0.118 225 H LYS 28 H LYS 28 5.300 -11.031 -1.645 226 HA LYS 28 HA LYS 28 6.763 -9.174 -3.015 227 HB2 LYS 28 2HB LYS 28 5.267 -11.521 -3.669 228 HB3 LYS 28 1HB LYS 28 4.941 -10.298 -4.890 229 HG2 LYS 28 2HG LYS 28 6.765 -11.332 -5.789 230 HG3 LYS 28 1HG LYS 28 7.538 -10.026 -4.894 231 HD2 LYS 28 2HD LYS 28 7.269 -12.133 -3.068 232 HD3 LYS 28 1HD LYS 28 7.821 -12.874 -4.572 233 HE2 LYS 28 2HE LYS 28 9.833 -12.308 -3.650 234 HE3 LYS 28 1HE LYS 28 9.495 -10.836 -4.560 235 HZ1 LYS 28 3HZ LYS 28 10.153 -10.837 -1.993 236 HZ2 LYS 28 1HZ LYS 28 8.471 -10.930 -1.838 237 HZ3 LYS 28 2HZ LYS 28 9.178 -9.651 -2.686 238 H TYR 29 H TYR 29 3.265 -9.278 -2.574 239 HA TYR 29 HA TYR 29 2.575 -7.237 -4.373 240 HB2 TYR 29 2HB TYR 29 1.280 -8.740 -2.271 241 HB3 TYR 29 1HB TYR 29 0.802 -7.042 -2.198 242 HD1 TYR 29 1HD TYR 29 0.347 -6.093 -4.748 243 HD2 TYR 29 2HD TYR 29 -0.094 -10.095 -3.392 244 HE1 TYR 29 1HE TYR 29 -1.251 -6.529 -6.564 245 HE2 TYR 29 2HE TYR 29 -1.680 -10.541 -5.189 246 HH TYR 29 HH TYR 29 -3.172 -9.371 -6.680 247 H ILE 30 H ILE 30 3.785 -7.198 -1.090 248 HA ILE 30 HA ILE 30 3.389 -4.424 -0.616 249 HB ILE 30 HB ILE 30 5.412 -6.253 0.682 250 HG12 ILE 30 2HG1 ILE 30 3.530 -7.347 1.344 251 HG13 ILE 30 1HG1 ILE 30 3.424 -6.026 2.502 252 HG21 ILE 30 1HG2 ILE 30 5.379 -3.592 0.876 253 HG22 ILE 30 2HG2 ILE 30 5.813 -4.640 2.226 254 HG23 ILE 30 3HG2 ILE 30 4.184 -3.973 2.116 255 HD11 ILE 30 3HD1 ILE 30 1.286 -6.130 1.627 256 HD12 ILE 30 1HD1 ILE 30 1.864 -6.472 -0.003 257 HD13 ILE 30 2HD1 ILE 30 2.031 -4.852 0.673 258 H LYS 31 H LYS 31 5.900 -6.363 -2.061 259 HA LYS 31 HA LYS 31 7.965 -4.473 -2.150 260 HB2 LYS 31 2HB LYS 31 8.260 -6.844 -2.787 261 HB3 LYS 31 1HB LYS 31 7.272 -6.572 -4.221 262 HG2 LYS 31 2HG LYS 31 9.237 -6.260 -5.236 263 HG3 LYS 31 1HG LYS 31 9.156 -4.649 -4.521 264 HD2 LYS 31 2HD LYS 31 10.827 -5.073 -3.075 265 HD3 LYS 31 1HD LYS 31 10.259 -6.712 -2.752 266 HE2 LYS 31 2HE LYS 31 11.579 -7.624 -4.324 267 HE3 LYS 31 1HE LYS 31 11.357 -6.275 -5.440 268 HZ1 LYS 31 3HZ LYS 31 13.072 -6.131 -3.024 269 HZ2 LYS 31 1HZ LYS 31 12.981 -5.010 -4.289 270 HZ3 LYS 31 2HZ LYS 31 13.656 -6.537 -4.559 271 H LEU 32 H LEU 32 5.036 -4.861 -3.975 272 HA LEU 32 HA LEU 32 5.681 -2.979 -6.037 273 HB2 LEU 32 2HB LEU 32 3.755 -4.923 -5.687 274 HB3 LEU 32 1HB LEU 32 2.834 -3.438 -5.497 275 HG LEU 32 HG LEU 32 4.643 -3.578 -7.844 276 HD11 LEU 32 1HD1 LEU 32 2.433 -5.475 -7.357 277 HD12 LEU 32 2HD1 LEU 32 3.867 -5.635 -8.371 278 HD13 LEU 32 3HD1 LEU 32 2.482 -4.705 -8.943 279 HD21 LEU 32 3HD2 LEU 32 2.894 -2.319 -8.879 280 HD22 LEU 32 1HD2 LEU 32 3.182 -1.638 -7.279 281 HD23 LEU 32 2HD2 LEU 32 1.784 -2.675 -7.556 282 H ILE 33 H ILE 33 3.919 -2.871 -2.963 283 HA ILE 33 HA ILE 33 2.799 -0.327 -3.244 284 HB ILE 33 HB ILE 33 2.388 -0.293 -0.930 285 HG12 ILE 33 2HG1 ILE 33 3.886 -2.487 0.128 286 HG13 ILE 33 1HG1 ILE 33 5.002 -1.399 -0.686 287 HG21 ILE 33 1HG2 ILE 33 0.973 -1.958 -1.186 288 HG22 ILE 33 2HG2 ILE 33 2.231 -3.084 -0.698 289 HG23 ILE 33 3HG2 ILE 33 2.006 -2.704 -2.405 290 HD11 ILE 33 3HD1 ILE 33 4.447 -1.060 1.821 291 HD12 ILE 33 1HD1 ILE 33 2.985 -0.291 1.201 292 HD13 ILE 33 2HD1 ILE 33 4.570 0.337 0.751 293 H ALA 34 H ALA 34 6.053 -1.292 -2.462 294 HA ALA 34 HA ALA 34 7.178 0.810 -1.184 295 HB1 ALA 34 1HB ALA 34 8.276 -0.723 -3.531 296 HB2 ALA 34 2HB ALA 34 8.532 -1.041 -1.814 297 HB3 ALA 34 3HB ALA 34 9.235 0.396 -2.560 298 H ASN 35 H ASN 35 6.414 0.694 -4.642 299 HA ASN 35 HA ASN 35 7.066 3.545 -4.867 300 HB2 ASN 35 2HB ASN 35 7.197 1.272 -6.678 301 HB3 ASN 35 1HB ASN 35 6.312 2.620 -7.394 302 HD21 ASN 35 1HD2 ASN 35 9.281 1.937 -5.579 303 HD22 ASN 35 2HD2 ASN 35 10.264 3.071 -6.432 304 H ALA 36 H ALA 36 4.467 1.237 -5.019 305 HA ALA 36 HA ALA 36 2.229 1.429 -5.490 306 HB1 ALA 36 1HB ALA 36 1.294 3.397 -3.997 307 HB2 ALA 36 2HB ALA 36 2.943 3.376 -3.372 308 HB3 ALA 36 3HB ALA 36 1.952 1.921 -3.291 309 H LYS 37 H LYS 37 2.388 4.873 -4.966 310 HA LYS 37 HA LYS 37 2.731 6.015 -7.389 311 HB2 LYS 37 2HB LYS 37 0.330 6.245 -8.231 312 HB3 LYS 37 1HB LYS 37 1.121 4.696 -8.518 313 HG2 LYS 37 2HG LYS 37 -0.056 4.138 -6.185 314 HG3 LYS 37 1HG LYS 37 -1.171 5.372 -6.774 315 HD2 LYS 37 2HD LYS 37 -1.517 4.126 -8.822 316 HD3 LYS 37 1HD LYS 37 -0.324 2.924 -8.322 317 HE2 LYS 37 2HE LYS 37 -1.714 2.254 -6.468 318 HE3 LYS 37 1HE LYS 37 -2.869 3.537 -6.825 319 HZ1 LYS 37 3HZ LYS 37 -3.248 2.450 -9.001 320 HZ2 LYS 37 1HZ LYS 37 -3.712 1.496 -7.682 321 HZ3 LYS 37 2HZ LYS 37 -2.269 1.165 -8.503 322 H THR 38 H THR 38 0.650 5.774 -4.607 323 HA THR 38 HA THR 38 1.158 8.442 -3.792 324 HB THR 38 HB THR 38 -1.732 8.309 -4.014 325 HG1 THR 38 1HG THR 38 -1.941 8.349 -6.190 326 HG21 THR 38 3HG2 THR 38 -1.436 10.486 -5.148 327 HG22 THR 38 1HG2 THR 38 0.311 10.255 -5.048 328 HG23 THR 38 2HG2 THR 38 -0.648 10.389 -3.574 329 H VAL 39 H VAL 39 -0.738 8.924 -1.968 330 HA VAL 39 HA VAL 39 -0.201 7.097 0.084 331 HB VAL 39 HB VAL 39 -2.605 8.919 0.023 332 HG11 VAL 39 1HG1 VAL 39 -2.808 8.506 2.209 333 HG12 VAL 39 2HG1 VAL 39 -1.073 8.652 2.488 334 HG13 VAL 39 3HG1 VAL 39 -1.748 7.126 1.921 335 HG21 VAL 39 3HG2 VAL 39 0.295 9.559 0.300 336 HG22 VAL 39 1HG2 VAL 39 -0.881 10.479 1.239 337 HG23 VAL 39 2HG2 VAL 39 -0.984 10.455 -0.521 338 H GLU 40 H GLU 40 -3.165 7.561 -1.833 339 HA GLU 40 HA GLU 40 -4.578 5.409 -0.654 340 HB2 GLU 40 2HB GLU 40 -5.389 7.447 -2.123 341 HB3 GLU 40 1HB GLU 40 -5.165 6.307 -3.441 342 HG2 GLU 40 2HG GLU 40 -6.589 4.756 -1.824 343 HG3 GLU 40 1HG GLU 40 -7.166 6.324 -1.262 344 H GLY 41 H GLY 41 -2.465 5.673 -3.450 345 HA2 GLY 41 2HA GLY 41 -3.008 3.238 -4.691 346 HA3 GLY 41 1HA GLY 41 -1.456 4.063 -4.739 347 H VAL 42 H VAL 42 -1.012 3.946 -1.886 348 HA VAL 42 HA VAL 42 0.123 1.312 -1.761 349 HB VAL 42 HB VAL 42 0.025 3.035 0.675 350 HG11 VAL 42 1HG1 VAL 42 2.176 2.160 1.096 351 HG12 VAL 42 2HG1 VAL 42 2.366 1.615 -0.571 352 HG13 VAL 42 3HG1 VAL 42 1.216 0.805 0.498 353 HG21 VAL 42 3HG2 VAL 42 1.123 3.892 -1.912 354 HG22 VAL 42 1HG2 VAL 42 2.229 4.041 -0.547 355 HG23 VAL 42 2HG2 VAL 42 0.660 4.845 -0.503 356 H TRP 43 H TRP 43 -2.378 3.073 0.043 357 HA TRP 43 HA TRP 43 -3.100 1.077 1.846 358 HB2 TRP 43 2HB TRP 43 -4.842 3.160 0.519 359 HB3 TRP 43 1HB TRP 43 -5.330 2.198 1.901 360 HD1 TRP 43 HD TRP 43 -4.252 5.530 1.268 361 HE1 TRP 43 1HE TRP 43 -3.062 6.580 3.296 362 HE3 TRP 43 3HE TRP 43 -3.288 1.285 3.897 363 HZ2 TRP 43 2HZ TRP 43 -1.867 5.708 5.705 364 HZ3 TRP 43 3HZ TRP 43 -2.114 1.463 6.060 365 HH2 TRP 43 HH TRP 43 -1.419 3.632 6.944 366 H THR 44 H THR 44 -3.788 1.426 -1.547 367 HA THR 44 HA THR 44 -5.910 -0.494 -1.625 368 HB THR 44 HB THR 44 -4.205 0.568 -3.885 369 HG1 THR 44 1HG THR 44 -5.363 2.177 -2.653 370 HG21 THR 44 3HG2 THR 44 -6.845 0.087 -4.706 371 HG22 THR 44 1HG2 THR 44 -6.302 -1.364 -3.865 372 HG23 THR 44 2HG2 THR 44 -5.375 -0.734 -5.227 373 H LEU 45 H LEU 45 -2.528 -0.564 -2.787 374 HA LEU 45 HA LEU 45 -2.418 -3.145 -3.715 375 HB2 LEU 45 2HB LEU 45 -0.354 -1.394 -2.457 376 HB3 LEU 45 1HB LEU 45 0.023 -3.087 -2.682 377 HD11 LEU 45 1HD2 LEU 45 0.016 -3.072 -6.337 378 HD12 LEU 45 2HD2 LEU 45 -1.432 -3.479 -5.415 379 HD13 LEU 45 3HD2 LEU 45 0.144 -4.076 -4.893 380 HD21 LEU 45 3HD1 LEU 45 -0.467 0.093 -4.834 381 HD22 LEU 45 1HD1 LEU 45 -1.965 -0.820 -4.646 382 HD23 LEU 45 2HD1 LEU 45 -1.044 -0.936 -6.144 383 H LYS 46 H LYS 46 -1.680 -2.186 -0.344 384 HA LYS 46 HA LYS 46 -1.324 -4.803 0.622 385 HB2 LYS 46 2HB LYS 46 -2.095 -3.639 2.866 386 HB3 LYS 46 1HB LYS 46 -0.533 -3.289 2.145 387 HG2 LYS 46 2HG LYS 46 -1.121 -1.171 1.560 388 HG3 LYS 46 1HG LYS 46 -2.826 -1.572 1.374 389 HD2 LYS 46 2HD LYS 46 -1.739 -1.822 4.102 390 HD3 LYS 46 1HD LYS 46 -1.827 -0.181 3.458 391 HE2 LYS 46 2HE LYS 46 -3.878 -0.522 4.547 392 HE3 LYS 46 1HE LYS 46 -4.228 -0.723 2.831 393 HZ1 LYS 46 3HZ LYS 46 -3.990 -3.156 3.192 394 HZ2 LYS 46 1HZ LYS 46 -5.301 -2.465 4.008 395 HZ3 LYS 46 2HZ LYS 46 -3.892 -2.864 4.854 396 H ASP 47 H ASP 47 -4.186 -2.680 0.861 397 HA ASP 47 HA ASP 47 -5.912 -4.531 2.030 398 HB2 ASP 47 2HB ASP 47 -6.218 -1.996 1.656 399 HB3 ASP 47 1HB ASP 47 -6.859 -2.449 0.079 400 H GLU 48 H GLU 48 -4.806 -4.242 -1.229 401 HA GLU 48 HA GLU 48 -6.921 -5.681 -2.474 402 HB2 GLU 48 2HB GLU 48 -4.488 -4.399 -3.289 403 HB3 GLU 48 1HB GLU 48 -4.542 -6.013 -3.979 404 HG2 GLU 48 2HG GLU 48 -5.505 -4.244 -5.426 405 HG3 GLU 48 1HG GLU 48 -6.610 -5.566 -5.062 406 H ILE 49 H ILE 49 -3.967 -6.564 -0.843 407 HA ILE 49 HA ILE 49 -3.969 -9.275 -1.785 408 HB ILE 49 HB ILE 49 -2.559 -8.362 0.706 409 HG12 ILE 49 2HG1 ILE 49 -1.064 -8.282 -1.845 410 HG13 ILE 49 1HG1 ILE 49 -2.236 -6.989 -1.616 411 HG21 ILE 49 1HG2 ILE 49 -2.302 -10.641 0.491 412 HG22 ILE 49 2HG2 ILE 49 -0.872 -10.040 -0.349 413 HG23 ILE 49 3HG2 ILE 49 -2.276 -10.580 -1.272 414 HD11 ILE 49 3HD1 ILE 49 0.244 -7.594 -0.096 415 HD12 ILE 49 1HD1 ILE 49 -1.085 -6.769 0.717 416 HD13 ILE 49 2HD1 ILE 49 -0.354 -6.056 -0.720 417 H LYS 50 H LYS 50 -5.126 -7.585 1.097 418 HA LYS 50 HA LYS 50 -5.905 -10.055 2.373 419 HB2 LYS 50 2HB LYS 50 -7.160 -8.379 3.937 420 HB3 LYS 50 1HB LYS 50 -5.412 -8.530 4.012 421 HG2 LYS 50 2HG LYS 50 -6.222 -6.520 2.097 422 HG3 LYS 50 1HG LYS 50 -6.875 -6.203 3.705 423 HD2 LYS 50 2HD LYS 50 -4.032 -7.018 3.513 424 HD3 LYS 50 1HD LYS 50 -4.450 -5.389 2.980 425 HE2 LYS 50 2HE LYS 50 -3.969 -5.062 5.217 426 HE3 LYS 50 1HE LYS 50 -5.723 -5.245 5.232 427 HZ1 LYS 50 3HZ LYS 50 -5.599 -7.185 6.334 428 HZ2 LYS 50 1HZ LYS 50 -4.089 -6.602 6.830 429 HZ3 LYS 50 2HZ LYS 50 -4.194 -7.694 5.541 430 H THR 51 H THR 51 -7.528 -7.432 0.657 431 HA THR 51 HA THR 51 -10.137 -8.605 1.030 432 HB THR 51 HB THR 51 -9.464 -6.446 -0.957 433 HG1 THR 51 1HG THR 51 -9.702 -6.244 1.852 434 HG21 THR 51 3HG2 THR 51 -11.826 -6.176 0.728 435 HG22 THR 51 1HG2 THR 51 -11.858 -7.590 -0.327 436 HG23 THR 51 2HG2 THR 51 -11.640 -5.982 -1.016 437 H PHE 52 H PHE 52 -7.674 -8.524 -1.463 438 HA PHE 52 HA PHE 52 -7.447 -9.615 -3.447 439 HB2 PHE 52 2HB PHE 52 -8.081 -11.493 -1.652 440 HB3 PHE 52 1HB PHE 52 -9.478 -11.657 -2.710 441 HD1 PHE 52 2HD PHE 52 -5.775 -11.705 -2.665 442 HD2 PHE 52 1HD PHE 52 -9.326 -12.825 -4.727 443 HE1 PHE 52 2HE PHE 52 -4.442 -13.088 -4.204 444 HE2 PHE 52 1HE PHE 52 -8.000 -14.210 -6.268 445 HZ PHE 52 HZ PHE 52 -5.554 -14.341 -6.008 446 H THR 53 H THR 53 -9.698 -7.660 -3.050 447 HA THR 53 HA THR 53 -11.081 -8.286 -5.540 448 HB THR 53 HB THR 53 -13.262 -7.546 -4.491 449 HG1 THR 53 1HG THR 53 -12.693 -6.650 -2.596 450 HG21 THR 53 3HG2 THR 53 -13.500 -9.732 -3.093 451 HG22 THR 53 1HG2 THR 53 -11.930 -10.112 -3.800 452 HG23 THR 53 2HG2 THR 53 -13.315 -9.803 -4.844 453 H VAL 54 H VAL 54 -12.621 -6.286 -6.025 454 HA VAL 54 HA VAL 54 -11.077 -3.845 -5.433 455 HB VAL 54 HB VAL 54 -12.579 -4.310 -8.003 456 HG11 VAL 54 1HG1 VAL 54 -11.994 -2.227 -8.526 457 HG12 VAL 54 2HG1 VAL 54 -10.314 -2.518 -8.078 458 HG13 VAL 54 3HG1 VAL 54 -11.480 -2.026 -6.851 459 HG21 VAL 54 3HG2 VAL 54 -9.640 -4.753 -7.481 460 HG22 VAL 54 1HG2 VAL 54 -10.427 -4.806 -9.058 461 HG23 VAL 54 2HG2 VAL 54 -10.833 -6.004 -7.829 462 H THR 55 H THR 55 -13.686 -5.159 -4.384 463 HA THR 55 HA THR 55 -15.762 -4.515 -3.703 464 HB THR 55 HB THR 55 -15.929 -2.279 -2.821 465 HG1 THR 55 1HG THR 55 -14.322 -0.727 -3.353 466 HG21 THR 55 3HG2 THR 55 -14.533 -3.478 -1.403 467 HG22 THR 55 1HG2 THR 55 -13.641 -1.992 -1.727 468 HG23 THR 55 2HG2 THR 55 -13.204 -3.484 -2.561 469 H GLU 56 H GLU 56 -15.298 -4.649 -6.596 470 HA GLU 56 HA GLU 56 -16.582 -2.519 -7.927 471 HB2 GLU 56 2HB GLU 56 -15.141 -4.299 -8.983 472 HB3 GLU 56 1HB GLU 56 -16.500 -5.403 -8.823 473 HG2 GLU 56 2HG GLU 56 -17.854 -3.875 -10.214 474 HG3 GLU 56 1HG GLU 56 -16.426 -2.868 -10.442 Start of MODEL 6 1 H1 THR 1 1HT THR 1 -7.781 11.242 10.949 2 H2 THR 1 2HT THR 1 -8.134 12.545 12.007 3 H3 THR 1 3HT THR 1 -7.258 11.185 12.580 4 HA THR 1 HA THR 1 -5.559 11.735 10.865 5 HB THR 1 HB THR 1 -5.568 13.990 10.014 6 HG1 THR 1 1HG THR 1 -8.030 14.409 11.343 7 HG21 THR 1 1HG2 THR 1 -8.379 13.600 9.427 8 HG22 THR 1 2HG2 THR 1 -7.423 12.133 9.204 9 HG23 THR 1 3HG2 THR 1 -6.984 13.612 8.348 10 H THR 2 H THR 2 -7.123 13.042 13.662 11 HA THR 2 HA THR 2 -4.619 14.169 14.666 12 HB THR 2 HB THR 2 -6.000 15.094 16.483 13 HG1 THR 2 1HG THR 2 -7.652 13.743 16.774 14 HG21 THR 2 3HG2 THR 2 -7.149 15.609 13.752 15 HG22 THR 2 1HG2 THR 2 -5.818 16.472 14.516 16 HG23 THR 2 2HG2 THR 2 -7.447 16.593 15.182 17 H TYR 3 H TYR 3 -4.975 11.296 14.377 18 HA TYR 3 HA TYR 3 -4.839 10.491 17.209 19 HB2 TYR 3 2HB TYR 3 -6.520 9.489 15.257 20 HB3 TYR 3 1HB TYR 3 -5.209 8.315 15.291 21 HD1 TYR 3 1HD TYR 3 -7.304 10.225 17.738 22 HD2 TYR 3 2HD TYR 3 -5.486 6.519 16.704 23 HE1 TYR 3 1HE TYR 3 -8.296 9.188 19.734 24 HE2 TYR 3 2HE TYR 3 -6.475 5.471 18.697 25 HH TYR 3 HH TYR 3 -8.953 6.795 20.434 26 H LYS 4 H LYS 4 -3.429 10.090 13.998 27 HA LYS 4 HA LYS 4 -1.109 8.757 15.205 28 HB2 LYS 4 2HB LYS 4 -1.675 9.008 12.261 29 HB3 LYS 4 1HB LYS 4 -0.574 7.895 13.061 30 HG2 LYS 4 2HG LYS 4 -3.218 7.508 14.078 31 HG3 LYS 4 1HG LYS 4 -3.246 7.455 12.315 32 HD2 LYS 4 2HD LYS 4 -2.862 5.232 13.162 33 HD3 LYS 4 1HD LYS 4 -1.387 5.811 12.386 34 HE2 LYS 4 2HE LYS 4 -0.253 5.997 14.367 35 HE3 LYS 4 1HE LYS 4 -1.721 6.273 15.305 36 HZ1 LYS 4 3HZ LYS 4 -0.864 4.125 15.834 37 HZ2 LYS 4 1HZ LYS 4 -0.774 3.684 14.204 38 HZ3 LYS 4 2HZ LYS 4 -2.281 3.905 14.939 39 H LEU 5 H LEU 5 0.818 9.299 13.339 40 HA LEU 5 HA LEU 5 1.096 11.989 12.608 41 HB2 LEU 5 2HB LEU 5 1.223 11.713 15.328 42 HB3 LEU 5 1HB LEU 5 2.918 11.610 14.888 43 HG LEU 5 HG LEU 5 1.828 13.815 13.471 44 HD11 LEU 5 1HD1 LEU 5 -0.008 13.866 15.044 45 HD12 LEU 5 2HD1 LEU 5 1.075 15.223 15.346 46 HD13 LEU 5 3HD1 LEU 5 1.112 13.808 16.398 47 HD21 LEU 5 3HD2 LEU 5 4.018 14.110 13.977 48 HD22 LEU 5 1HD2 LEU 5 3.885 13.287 15.531 49 HD23 LEU 5 2HD2 LEU 5 3.340 14.956 15.368 50 H ILE 6 H ILE 6 1.688 10.008 11.076 51 HA ILE 6 HA ILE 6 4.619 9.731 11.191 52 HB ILE 6 HB ILE 6 2.739 7.695 10.006 53 HG12 ILE 6 2HG1 ILE 6 4.201 6.820 12.353 54 HG13 ILE 6 1HG1 ILE 6 3.186 8.211 12.728 55 HG21 ILE 6 1HG2 ILE 6 5.443 8.110 9.591 56 HG22 ILE 6 2HG2 ILE 6 4.542 6.628 9.249 57 HG23 ILE 6 3HG2 ILE 6 5.393 6.816 10.788 58 HD11 ILE 6 3HD1 ILE 6 1.271 6.986 11.718 59 HD12 ILE 6 1HD1 ILE 6 1.936 6.229 13.161 60 HD13 ILE 6 2HD1 ILE 6 2.320 5.577 11.573 61 H LEU 7 H LEU 7 4.540 11.738 9.930 62 HA LEU 7 HA LEU 7 4.568 12.963 8.014 63 HB2 LEU 7 2HB LEU 7 5.690 10.301 7.359 64 HB3 LEU 7 1HB LEU 7 5.349 11.372 6.010 65 HG LEU 7 HG LEU 7 6.709 13.039 7.697 66 HD11 LEU 7 1HD1 LEU 7 8.223 12.003 8.987 67 HD12 LEU 7 2HD1 LEU 7 8.502 10.722 7.807 68 HD13 LEU 7 3HD1 LEU 7 7.111 10.633 8.889 69 HD21 LEU 7 3HD2 LEU 7 7.112 12.862 5.332 70 HD22 LEU 7 1HD2 LEU 7 7.785 11.243 5.527 71 HD23 LEU 7 2HD2 LEU 7 8.633 12.635 6.186 72 H ASN 8 H ASN 8 3.780 10.119 6.112 73 HA ASN 8 HA ASN 8 0.995 10.506 5.951 74 HB2 ASN 8 2HB ASN 8 2.537 12.389 4.472 75 HB3 ASN 8 1HB ASN 8 1.753 11.314 3.317 76 HD21 ASN 8 1HD2 ASN 8 -0.258 11.761 2.772 77 HD22 ASN 8 2HD2 ASN 8 -1.332 12.804 3.633 78 H LEU 9 H LEU 9 3.823 9.667 3.947 79 HA LEU 9 HA LEU 9 2.383 7.417 2.785 80 HB2 LEU 9 2HB LEU 9 5.068 8.671 2.311 81 HB3 LEU 9 1HB LEU 9 4.735 7.040 1.732 82 HG LEU 9 HG LEU 9 2.560 8.441 0.803 83 HD11 LEU 9 1HD1 LEU 9 3.851 10.513 1.591 84 HD12 LEU 9 2HD1 LEU 9 3.194 10.512 -0.044 85 HD13 LEU 9 3HD1 LEU 9 4.910 10.202 0.217 86 HD21 LEU 9 3HD2 LEU 9 3.472 6.980 -0.691 87 HD22 LEU 9 1HD2 LEU 9 5.126 7.488 -0.351 88 HD23 LEU 9 2HD2 LEU 9 4.084 8.496 -1.358 89 H LYS 10 H LYS 10 5.131 8.099 4.846 90 HA LYS 10 HA LYS 10 6.200 5.654 5.364 91 HB2 LYS 10 2HB LYS 10 6.020 8.209 6.677 92 HB3 LYS 10 1HB LYS 10 5.973 6.915 7.871 93 HG2 LYS 10 2HG LYS 10 8.253 7.709 7.462 94 HG3 LYS 10 1HG LYS 10 8.058 6.013 7.020 95 HD2 LYS 10 2HD LYS 10 9.276 6.935 5.246 96 HD3 LYS 10 1HD LYS 10 7.621 6.874 4.648 97 HE2 LYS 10 2HE LYS 10 8.342 9.352 6.052 98 HE3 LYS 10 1HE LYS 10 9.218 9.069 4.549 99 HZ1 LYS 10 3HZ LYS 10 6.394 9.635 4.971 100 HZ2 LYS 10 1HZ LYS 10 6.757 8.514 3.759 101 HZ3 LYS 10 2HZ LYS 10 7.408 10.071 3.688 102 H GLN 11 H GLN 11 3.195 6.995 6.541 103 HA GLN 11 HA GLN 11 2.584 4.895 8.371 104 HB2 GLN 11 2HB GLN 11 1.570 7.074 8.662 105 HB3 GLN 11 1HB GLN 11 0.861 7.001 7.055 106 HG2 GLN 11 2HG GLN 11 -0.522 5.098 7.784 107 HG3 GLN 11 1HG GLN 11 0.153 5.256 9.405 108 HE21 GLN 11 1HE2 GLN 11 -1.399 7.262 6.919 109 HE22 GLN 11 2HE2 GLN 11 -2.403 8.144 8.015 110 H ALA 12 H ALA 12 1.539 5.725 5.085 111 HA ALA 12 HA ALA 12 -0.203 3.577 4.675 112 HB1 ALA 12 1HB ALA 12 1.485 4.929 2.575 113 HB2 ALA 12 2HB ALA 12 -0.018 5.589 3.220 114 HB3 ALA 12 3HB ALA 12 -0.034 4.065 2.331 115 H LYS 13 H LYS 13 3.258 3.899 3.867 116 HA LYS 13 HA LYS 13 3.506 1.282 2.823 117 HB2 LYS 13 2HB LYS 13 5.988 1.644 3.265 118 HB3 LYS 13 1HB LYS 13 5.199 2.801 2.203 119 HG2 LYS 13 2HG LYS 13 6.095 4.386 3.462 120 HG3 LYS 13 1HG LYS 13 4.934 3.934 4.707 121 HD2 LYS 13 2HD LYS 13 6.631 3.375 6.027 122 HD3 LYS 13 1HD LYS 13 7.040 2.083 4.895 123 HE2 LYS 13 2HE LYS 13 8.139 4.873 5.047 124 HE3 LYS 13 1HE LYS 13 9.009 3.342 5.127 125 HZ1 LYS 13 3HZ LYS 13 7.957 4.765 2.789 126 HZ2 LYS 13 1HZ LYS 13 8.031 3.075 2.735 127 HZ3 LYS 13 2HZ LYS 13 9.440 3.974 2.991 128 H GLU 14 H GLU 14 4.379 2.613 6.017 129 HA GLU 14 HA GLU 14 5.317 0.291 7.199 130 HB2 GLU 14 2HB GLU 14 3.836 2.635 8.394 131 HB3 GLU 14 1HB GLU 14 4.410 1.298 9.377 132 HG2 GLU 14 2HG GLU 14 6.497 2.291 7.651 133 HG3 GLU 14 1HG GLU 14 5.823 3.572 8.659 134 H GLU 15 H GLU 15 1.980 1.417 6.866 135 HA GLU 15 HA GLU 15 0.757 -0.593 8.395 136 HB2 GLU 15 2HB GLU 15 -0.092 1.586 6.844 137 HB3 GLU 15 1HB GLU 15 -0.876 0.181 6.137 138 HG2 GLU 15 2HG GLU 15 -2.418 0.365 7.712 139 HG3 GLU 15 1HG GLU 15 -1.197 -0.153 8.872 140 H ALA 16 H ALA 16 1.876 -0.505 5.085 141 HA ALA 16 HA ALA 16 0.593 -2.799 4.114 142 HB1 ALA 16 1HB ALA 16 1.772 -1.106 2.723 143 HB2 ALA 16 2HB ALA 16 2.202 -2.771 2.334 144 HB3 ALA 16 3HB ALA 16 3.304 -1.775 3.284 145 H ILE 17 H ILE 17 3.737 -2.402 5.718 146 HA ILE 17 HA ILE 17 4.376 -5.193 5.554 147 HB ILE 17 HB ILE 17 5.636 -3.175 7.424 148 HG12 ILE 17 2HG1 ILE 17 7.464 -3.316 5.538 149 HG13 ILE 17 1HG1 ILE 17 6.109 -3.783 4.517 150 HG21 ILE 17 1HG2 ILE 17 7.472 -4.692 7.548 151 HG22 ILE 17 2HG2 ILE 17 6.763 -5.739 6.319 152 HG23 ILE 17 3HG2 ILE 17 5.998 -5.594 7.902 153 HD11 ILE 17 3HD1 ILE 17 6.943 -1.210 5.171 154 HD12 ILE 17 1HD1 ILE 17 5.440 -1.463 6.061 155 HD13 ILE 17 2HD1 ILE 17 5.477 -1.682 4.312 156 H LYS 18 H LYS 18 3.375 -3.086 8.233 157 HA LYS 18 HA LYS 18 3.289 -4.992 10.241 158 HB2 LYS 18 2HB LYS 18 2.241 -3.412 11.547 159 HB3 LYS 18 1HB LYS 18 2.976 -2.395 10.317 160 HG2 LYS 18 2HG LYS 18 0.819 -2.327 9.126 161 HG3 LYS 18 1HG LYS 18 0.099 -3.280 10.425 162 HD2 LYS 18 2HD LYS 18 1.299 -1.252 11.808 163 HD3 LYS 18 1HD LYS 18 0.784 -0.431 10.333 164 HE2 LYS 18 2HE LYS 18 -1.453 -0.836 10.730 165 HE3 LYS 18 1HE LYS 18 -1.124 -2.230 11.758 166 HZ1 LYS 18 3HZ LYS 18 -0.077 -0.478 13.310 167 HZ2 LYS 18 1HZ LYS 18 -1.763 -0.624 13.261 168 HZ3 LYS 18 2HZ LYS 18 -0.997 0.635 12.429 169 H GLU 19 H GLU 19 0.676 -3.950 8.051 170 HA GLU 19 HA GLU 19 -1.296 -5.656 9.077 171 HB2 GLU 19 2HB GLU 19 -0.912 -4.647 6.243 172 HB3 GLU 19 1HB GLU 19 -2.358 -5.469 6.815 173 HG2 GLU 19 2HG GLU 19 -1.631 -3.221 8.498 174 HG3 GLU 19 1HG GLU 19 -1.904 -2.752 6.820 175 H LEU 20 H LEU 20 1.157 -6.137 6.573 176 HA LEU 20 HA LEU 20 0.414 -8.778 5.904 177 HB2 LEU 20 2HB LEU 20 2.309 -6.942 5.077 178 HB3 LEU 20 1HB LEU 20 3.279 -8.220 5.793 179 HG LEU 20 HG LEU 20 1.715 -9.756 4.289 180 HD11 LEU 20 1HD1 LEU 20 1.637 -8.199 2.083 181 HD12 LEU 20 2HD1 LEU 20 1.249 -7.017 3.344 182 HD13 LEU 20 3HD1 LEU 20 0.269 -8.471 3.165 183 HD21 LEU 20 3HD2 LEU 20 3.746 -8.323 2.691 184 HD22 LEU 20 1HD2 LEU 20 3.545 -10.050 2.992 185 HD23 LEU 20 2HD2 LEU 20 4.298 -9.022 4.211 186 H VAL 21 H VAL 21 2.445 -7.328 8.363 187 HA VAL 21 HA VAL 21 3.600 -9.694 9.369 188 HB VAL 21 HB VAL 21 3.050 -7.159 10.929 189 HG11 VAL 21 1HG1 VAL 21 5.290 -8.197 11.993 190 HG12 VAL 21 2HG1 VAL 21 4.457 -9.680 11.524 191 HG13 VAL 21 3HG1 VAL 21 3.669 -8.531 12.606 192 HG21 VAL 21 3HG2 VAL 21 4.788 -7.604 8.724 193 HG22 VAL 21 1HG2 VAL 21 5.781 -7.449 10.172 194 HG23 VAL 21 2HG2 VAL 21 4.653 -6.168 9.737 195 H ASP 22 H ASP 22 0.568 -8.031 9.985 196 HA ASP 22 HA ASP 22 -0.162 -9.608 12.251 197 HB2 ASP 22 2HB ASP 22 -1.459 -7.560 10.545 198 HB3 ASP 22 1HB ASP 22 -2.535 -8.671 11.387 199 H ALA 23 H ALA 23 -0.237 -10.136 8.858 200 HA ALA 23 HA ALA 23 -1.797 -12.591 9.301 201 HB1 ALA 23 1HB ALA 23 -2.090 -10.633 7.036 202 HB2 ALA 23 2HB ALA 23 -3.315 -11.149 8.195 203 HB3 ALA 23 3HB ALA 23 -2.722 -12.280 6.981 204 H GLY 24 H GLY 24 -0.332 -11.318 6.333 205 HA2 GLY 24 2HA GLY 24 2.101 -12.323 6.115 206 HA3 GLY 24 1HA GLY 24 1.164 -13.818 6.070 207 H THR 25 H THR 25 -0.524 -13.955 4.381 208 HA THR 25 HA THR 25 -0.900 -14.142 2.131 209 HB THR 25 HB THR 25 -2.004 -11.978 2.948 210 HG1 THR 25 1HG THR 25 -2.506 -13.030 0.966 211 HG21 THR 25 3HG2 THR 25 -0.107 -10.491 3.013 212 HG22 THR 25 1HG2 THR 25 -1.264 -9.932 1.806 213 HG23 THR 25 2HG2 THR 25 0.206 -10.762 1.298 214 H ALA 26 H ALA 26 -0.263 -12.643 -0.057 215 HA ALA 26 HA ALA 26 2.444 -13.473 -0.552 216 HB1 ALA 26 1HB ALA 26 0.270 -13.304 -2.123 217 HB2 ALA 26 2HB ALA 26 1.916 -13.312 -2.744 218 HB3 ALA 26 3HB ALA 26 1.064 -11.787 -2.541 219 H GLU 27 H GLU 27 3.815 -12.206 0.664 220 HA GLU 27 HA GLU 27 3.687 -9.486 1.099 221 HB2 GLU 27 2HB GLU 27 6.150 -9.601 1.474 222 HB3 GLU 27 1HB GLU 27 5.237 -10.827 2.341 223 HG2 GLU 27 2HG GLU 27 6.082 -11.765 -0.265 224 HG3 GLU 27 1HG GLU 27 7.443 -11.239 0.721 225 H LYS 28 H LYS 28 4.748 -11.193 -1.743 226 HA LYS 28 HA LYS 28 6.328 -9.408 -3.066 227 HB2 LYS 28 2HB LYS 28 5.406 -10.292 -5.164 228 HB3 LYS 28 1HB LYS 28 5.707 -11.574 -4.001 229 HG2 LYS 28 2HG LYS 28 3.134 -11.031 -3.433 230 HG3 LYS 28 1HG LYS 28 3.174 -10.616 -5.148 231 HD2 LYS 28 2HD LYS 28 4.302 -12.870 -5.514 232 HD3 LYS 28 1HD LYS 28 3.833 -13.250 -3.855 233 HE2 LYS 28 2HE LYS 28 1.995 -14.069 -4.897 234 HE3 LYS 28 1HE LYS 28 1.475 -12.392 -4.764 235 HZ1 LYS 28 3HZ LYS 28 2.144 -11.987 -7.004 236 HZ2 LYS 28 1HZ LYS 28 1.172 -13.372 -7.002 237 HZ3 LYS 28 2HZ LYS 28 2.849 -13.519 -7.142 238 H TYR 29 H TYR 29 2.834 -9.246 -2.637 239 HA TYR 29 HA TYR 29 2.330 -7.109 -4.389 240 HB2 TYR 29 2HB TYR 29 0.843 -8.657 -2.567 241 HB3 TYR 29 1HB TYR 29 0.628 -6.978 -2.063 242 HD1 TYR 29 1HD TYR 29 0.246 -5.370 -4.258 243 HD2 TYR 29 2HD TYR 29 -0.716 -9.495 -3.925 244 HE1 TYR 29 1HE TYR 29 -1.433 -5.118 -6.035 245 HE2 TYR 29 2HE TYR 29 -2.386 -9.260 -5.686 246 HH TYR 29 HH TYR 29 -3.826 -7.257 -6.621 247 H ILE 30 H ILE 30 3.293 -7.200 -0.991 248 HA ILE 30 HA ILE 30 3.116 -4.435 -0.498 249 HB ILE 30 HB ILE 30 4.635 -6.670 0.805 250 HG12 ILE 30 2HG1 ILE 30 3.073 -6.479 2.493 251 HG13 ILE 30 1HG1 ILE 30 2.820 -4.761 2.214 252 HG21 ILE 30 1HG2 ILE 30 6.212 -4.914 1.018 253 HG22 ILE 30 2HG2 ILE 30 5.347 -4.995 2.554 254 HG23 ILE 30 3HG2 ILE 30 4.955 -3.735 1.384 255 HD11 ILE 30 3HD1 ILE 30 0.851 -6.087 1.646 256 HD12 ILE 30 1HD1 ILE 30 1.798 -6.982 0.457 257 HD13 ILE 30 2HD1 ILE 30 1.507 -5.257 0.235 258 H LYS 31 H LYS 31 5.707 -6.485 -1.737 259 HA LYS 31 HA LYS 31 7.787 -4.657 -1.829 260 HB2 LYS 31 2HB LYS 31 7.997 -7.040 -2.455 261 HB3 LYS 31 1HB LYS 31 7.090 -6.713 -3.933 262 HG2 LYS 31 2HG LYS 31 8.867 -5.827 -4.978 263 HG3 LYS 31 1HG LYS 31 9.436 -4.999 -3.526 264 HD2 LYS 31 2HD LYS 31 9.649 -7.978 -3.700 265 HD3 LYS 31 1HD LYS 31 10.815 -6.975 -4.564 266 HE2 LYS 31 2HE LYS 31 11.852 -6.337 -2.677 267 HE3 LYS 31 1HE LYS 31 10.336 -6.156 -1.793 268 HZ1 LYS 31 3HZ LYS 31 12.106 -8.460 -1.998 269 HZ2 LYS 31 1HZ LYS 31 10.443 -8.790 -1.998 270 HZ3 LYS 31 2HZ LYS 31 11.134 -7.944 -0.708 271 H LEU 32 H LEU 32 4.914 -4.940 -3.760 272 HA LEU 32 HA LEU 32 5.709 -3.085 -5.794 273 HB2 LEU 32 2HB LEU 32 3.721 -4.967 -5.554 274 HB3 LEU 32 1HB LEU 32 2.827 -3.466 -5.353 275 HG LEU 32 HG LEU 32 3.994 -2.708 -7.523 276 HD11 LEU 32 1HD1 LEU 32 5.558 -4.765 -7.353 277 HD12 LEU 32 2HD1 LEU 32 4.937 -4.281 -8.931 278 HD13 LEU 32 3HD1 LEU 32 4.207 -5.638 -8.074 279 HD21 LEU 32 3HD2 LEU 32 2.061 -4.987 -7.827 280 HD22 LEU 32 1HD2 LEU 32 2.216 -3.536 -8.819 281 HD23 LEU 32 2HD2 LEU 32 1.579 -3.420 -7.178 282 H ILE 33 H ILE 33 4.056 -2.881 -2.700 283 HA ILE 33 HA ILE 33 2.921 -0.324 -3.039 284 HB ILE 33 HB ILE 33 2.488 -0.252 -0.748 285 HG12 ILE 33 2HG1 ILE 33 3.910 -2.244 0.571 286 HG13 ILE 33 1HG1 ILE 33 5.104 -1.509 -0.491 287 HG21 ILE 33 1HG2 ILE 33 2.155 -2.845 -0.189 288 HG22 ILE 33 2HG2 ILE 33 2.396 -2.945 -1.931 289 HG23 ILE 33 3HG2 ILE 33 1.110 -1.938 -1.277 290 HD11 ILE 33 3HD1 ILE 33 3.772 -0.432 1.886 291 HD12 ILE 33 1HD1 ILE 33 3.948 0.694 0.542 292 HD13 ILE 33 2HD1 ILE 33 5.370 -0.094 1.220 293 H ALA 34 H ALA 34 6.153 -1.359 -2.253 294 HA ALA 34 HA ALA 34 7.209 0.939 -1.107 295 HB1 ALA 34 1HB ALA 34 8.421 -1.191 -1.293 296 HB2 ALA 34 2HB ALA 34 9.378 0.169 -1.882 297 HB3 ALA 34 3HB ALA 34 8.603 -0.925 -3.027 298 H ASN 35 H ASN 35 6.434 0.247 -4.442 299 HA ASN 35 HA ASN 35 7.589 2.800 -5.299 300 HB2 ASN 35 2HB ASN 35 7.152 0.217 -6.569 301 HB3 ASN 35 1HB ASN 35 6.520 1.543 -7.546 302 HD21 ASN 35 1HD2 ASN 35 9.338 1.243 -5.413 303 HD22 ASN 35 2HD2 ASN 35 10.502 1.706 -6.601 304 H ALA 36 H ALA 36 4.726 1.675 -4.134 305 HA ALA 36 HA ALA 36 2.606 2.352 -5.592 306 HB1 ALA 36 1HB ALA 36 2.911 3.401 -2.792 307 HB2 ALA 36 2HB ALA 36 2.637 1.702 -3.171 308 HB3 ALA 36 3HB ALA 36 1.429 2.908 -3.612 309 H LYS 37 H LYS 37 4.849 4.691 -4.208 310 HA LYS 37 HA LYS 37 5.239 6.878 -4.688 311 HB2 LYS 37 2HB LYS 37 4.825 6.025 -7.065 312 HB3 LYS 37 1HB LYS 37 3.200 6.692 -6.901 313 HG2 LYS 37 2HG LYS 37 5.367 8.548 -6.203 314 HG3 LYS 37 1HG LYS 37 5.334 8.041 -7.894 315 HD2 LYS 37 2HD LYS 37 2.840 8.612 -7.821 316 HD3 LYS 37 1HD LYS 37 3.204 9.455 -6.316 317 HE2 LYS 37 2HE LYS 37 5.062 10.613 -7.703 318 HE3 LYS 37 1HE LYS 37 4.136 10.060 -9.098 319 HZ1 LYS 37 3HZ LYS 37 3.081 12.005 -8.800 320 HZ2 LYS 37 1HZ LYS 37 3.523 12.140 -7.172 321 HZ3 LYS 37 2HZ LYS 37 2.215 11.162 -7.613 322 H THR 38 H THR 38 1.789 6.459 -5.504 323 HA THR 38 HA THR 38 1.114 8.802 -3.943 324 HB THR 38 HB THR 38 -1.286 7.844 -4.680 325 HG1 THR 38 1HG THR 38 0.383 6.958 -6.777 326 HG21 THR 38 3HG2 THR 38 -0.490 10.013 -5.363 327 HG22 THR 38 1HG2 THR 38 -1.131 9.139 -6.755 328 HG23 THR 38 2HG2 THR 38 0.612 9.273 -6.524 329 H VAL 39 H VAL 39 -0.087 8.856 -2.079 330 HA VAL 39 HA VAL 39 0.238 6.812 -0.222 331 HB VAL 39 HB VAL 39 -1.504 7.980 1.129 332 HG11 VAL 39 1HG1 VAL 39 0.753 9.511 -0.119 333 HG12 VAL 39 2HG1 VAL 39 0.672 8.755 1.472 334 HG13 VAL 39 3HG1 VAL 39 -0.255 10.217 1.143 335 HG21 VAL 39 3HG2 VAL 39 -1.762 9.632 -1.376 336 HG22 VAL 39 1HG2 VAL 39 -2.331 10.166 0.207 337 HG23 VAL 39 2HG2 VAL 39 -3.026 8.727 -0.542 338 H GLU 40 H GLU 40 -2.615 7.623 -2.177 339 HA GLU 40 HA GLU 40 -4.338 5.678 -1.129 340 HB2 GLU 40 2HB GLU 40 -4.606 7.695 -2.921 341 HB3 GLU 40 1HB GLU 40 -4.630 6.307 -4.000 342 HG2 GLU 40 2HG GLU 40 -6.380 6.396 -1.576 343 HG3 GLU 40 1HG GLU 40 -6.852 7.201 -3.073 344 H GLY 41 H GLY 41 -2.125 5.555 -3.902 345 HA2 GLY 41 2HA GLY 41 -2.807 3.034 -4.877 346 HA3 GLY 41 1HA GLY 41 -1.225 3.779 -5.040 347 H VAL 42 H VAL 42 -0.913 3.894 -2.079 348 HA VAL 42 HA VAL 42 0.265 1.292 -1.781 349 HB VAL 42 HB VAL 42 0.079 3.030 0.615 350 HG11 VAL 42 1HG1 VAL 42 2.368 2.393 0.914 351 HG12 VAL 42 2HG1 VAL 42 2.461 1.758 -0.726 352 HG13 VAL 42 3HG1 VAL 42 1.448 0.953 0.478 353 HG21 VAL 42 3HG2 VAL 42 1.134 4.013 -1.962 354 HG22 VAL 42 1HG2 VAL 42 2.146 4.286 -0.546 355 HG23 VAL 42 2HG2 VAL 42 0.494 4.902 -0.582 356 H TRP 43 H TRP 43 -2.295 3.095 -0.095 357 HA TRP 43 HA TRP 43 -3.031 1.106 1.721 358 HB2 TRP 43 2HB TRP 43 -4.751 3.230 0.435 359 HB3 TRP 43 1HB TRP 43 -5.211 2.290 1.843 360 HD1 TRP 43 HD TRP 43 -3.565 5.465 0.905 361 HE1 TRP 43 1HE TRP 43 -2.461 6.544 2.968 362 HE3 TRP 43 3HE TRP 43 -3.812 1.506 4.098 363 HZ2 TRP 43 2HZ TRP 43 -1.790 5.802 5.615 364 HZ3 TRP 43 3HZ TRP 43 -2.921 1.759 6.384 365 HH2 TRP 43 HH TRP 43 -1.931 3.866 7.122 366 H THR 44 H THR 44 -3.770 1.509 -1.658 367 HA THR 44 HA THR 44 -5.924 -0.365 -1.725 368 HB THR 44 HB THR 44 -4.202 0.635 -4.000 369 HG1 THR 44 1HG THR 44 -5.898 2.151 -4.264 370 HG21 THR 44 3HG2 THR 44 -5.498 -1.267 -4.698 371 HG22 THR 44 1HG2 THR 44 -6.186 0.204 -5.383 372 HG23 THR 44 2HG2 THR 44 -6.959 -0.568 -4.000 373 H LEU 45 H LEU 45 -2.511 -0.506 -2.724 374 HA LEU 45 HA LEU 45 -2.459 -3.095 -3.695 375 HB2 LEU 45 2HB LEU 45 -0.325 -1.499 -2.291 376 HB3 LEU 45 1HB LEU 45 -0.022 -3.097 -2.944 377 HD11 LEU 45 1HD2 LEU 45 1.711 -1.911 -3.864 378 HD12 LEU 45 2HD2 LEU 45 1.348 -0.270 -4.402 379 HD13 LEU 45 3HD2 LEU 45 1.468 -1.578 -5.580 380 HD21 LEU 45 3HD1 LEU 45 -0.461 -3.504 -5.373 381 HD22 LEU 45 1HD1 LEU 45 -0.480 -2.135 -6.483 382 HD23 LEU 45 2HD1 LEU 45 -1.912 -2.514 -5.527 383 H LYS 46 H LYS 46 -1.721 -2.103 -0.327 384 HA LYS 46 HA LYS 46 -1.365 -4.707 0.668 385 HB2 LYS 46 2HB LYS 46 -2.108 -3.522 2.900 386 HB3 LYS 46 1HB LYS 46 -0.564 -3.152 2.149 387 HG2 LYS 46 2HG LYS 46 -1.138 -1.031 1.717 388 HG3 LYS 46 1HG LYS 46 -2.785 -1.460 1.255 389 HD2 LYS 46 2HD LYS 46 -1.750 -1.298 4.085 390 HD3 LYS 46 1HD LYS 46 -2.712 -0.059 3.280 391 HE2 LYS 46 2HE LYS 46 -3.913 -2.709 3.135 392 HE3 LYS 46 1HE LYS 46 -3.686 -2.145 4.791 393 HZ1 LYS 46 3HZ LYS 46 -5.845 -1.506 3.855 394 HZ2 LYS 46 1HZ LYS 46 -5.061 -0.606 2.656 395 HZ3 LYS 46 2HZ LYS 46 -4.915 -0.159 4.281 396 H ASP 47 H ASP 47 -4.229 -2.581 0.922 397 HA ASP 47 HA ASP 47 -5.917 -4.464 2.115 398 HB2 ASP 47 2HB ASP 47 -6.321 -1.987 1.955 399 HB3 ASP 47 1HB ASP 47 -6.781 -2.231 0.273 400 H GLU 48 H GLU 48 -5.098 -3.888 -1.237 401 HA GLU 48 HA GLU 48 -7.156 -5.283 -2.492 402 HB2 GLU 48 2HB GLU 48 -5.575 -3.924 -3.747 403 HB3 GLU 48 1HB GLU 48 -4.258 -5.007 -3.311 404 HG2 GLU 48 2HG GLU 48 -5.117 -6.746 -4.662 405 HG3 GLU 48 1HG GLU 48 -6.650 -5.906 -4.888 406 H ILE 49 H ILE 49 -4.077 -6.447 -1.176 407 HA ILE 49 HA ILE 49 -4.431 -9.137 -2.008 408 HB ILE 49 HB ILE 49 -2.872 -8.424 0.456 409 HG12 ILE 49 2HG1 ILE 49 -1.246 -8.350 -1.929 410 HG13 ILE 49 1HG1 ILE 49 -2.507 -7.130 -2.020 411 HG21 ILE 49 1HG2 ILE 49 -1.495 -10.261 -0.189 412 HG22 ILE 49 2HG2 ILE 49 -2.276 -10.369 -1.765 413 HG23 ILE 49 3HG2 ILE 49 -3.175 -10.786 -0.306 414 HD11 ILE 49 3HD1 ILE 49 -0.219 -7.361 -0.157 415 HD12 ILE 49 1HD1 ILE 49 -1.706 -6.631 0.441 416 HD13 ILE 49 2HD1 ILE 49 -0.889 -5.942 -0.961 417 H LYS 50 H LYS 50 -5.395 -7.316 0.838 418 HA LYS 50 HA LYS 50 -6.195 -9.523 2.420 419 HB2 LYS 50 2HB LYS 50 -7.430 -6.771 2.521 420 HB3 LYS 50 1HB LYS 50 -7.302 -7.946 3.823 421 HG2 LYS 50 2HG LYS 50 -5.041 -6.417 2.562 422 HG3 LYS 50 1HG LYS 50 -5.720 -6.172 4.171 423 HD2 LYS 50 2HD LYS 50 -4.933 -8.297 4.910 424 HD3 LYS 50 1HD LYS 50 -4.468 -8.759 3.271 425 HE2 LYS 50 2HE LYS 50 -2.529 -7.619 3.365 426 HE3 LYS 50 1HE LYS 50 -3.247 -6.274 4.249 427 HZ1 LYS 50 3HZ LYS 50 -3.175 -7.667 6.261 428 HZ2 LYS 50 1HZ LYS 50 -1.637 -7.373 5.623 429 HZ3 LYS 50 2HZ LYS 50 -2.377 -8.875 5.387 430 H THR 51 H THR 51 -7.747 -7.698 -0.122 431 HA THR 51 HA THR 51 -10.364 -8.778 0.331 432 HB THR 51 HB THR 51 -9.268 -7.432 -2.145 433 HG1 THR 51 1HG THR 51 -10.462 -6.375 0.190 434 HG21 THR 51 3HG2 THR 51 -11.616 -6.743 -2.493 435 HG22 THR 51 1HG2 THR 51 -12.087 -7.829 -1.186 436 HG23 THR 51 2HG2 THR 51 -11.354 -8.482 -2.650 437 H PHE 52 H PHE 52 -7.521 -9.862 -1.254 438 HA PHE 52 HA PHE 52 -8.945 -11.748 -2.954 439 HB2 PHE 52 2HB PHE 52 -6.628 -10.416 -3.344 440 HB3 PHE 52 1HB PHE 52 -6.002 -11.924 -2.685 441 HD1 PHE 52 2HD PHE 52 -6.481 -14.066 -3.843 442 HD2 PHE 52 1HD PHE 52 -7.497 -10.296 -5.540 443 HE1 PHE 52 2HE PHE 52 -6.701 -15.124 -6.055 444 HE2 PHE 52 1HE PHE 52 -7.719 -11.348 -7.753 445 HZ PHE 52 HZ PHE 52 -7.321 -13.763 -8.012 446 H THR 53 H THR 53 -8.972 -11.905 0.044 447 HA THR 53 HA THR 53 -8.947 -13.496 1.662 448 HB THR 53 HB THR 53 -9.400 -15.708 1.050 449 HG1 THR 53 1HG THR 53 -8.644 -16.662 -0.802 450 HG21 THR 53 3HG2 THR 53 -10.274 -15.026 -1.584 451 HG22 THR 53 1HG2 THR 53 -10.624 -13.703 -0.471 452 HG23 THR 53 2HG2 THR 53 -11.225 -15.325 -0.128 453 H VAL 54 H VAL 54 -7.574 -14.992 2.835 454 HA VAL 54 HA VAL 54 -4.795 -15.097 1.888 455 HB VAL 54 HB VAL 54 -4.049 -14.598 4.244 456 HG11 VAL 54 1HG1 VAL 54 -3.832 -12.948 2.478 457 HG12 VAL 54 2HG1 VAL 54 -4.274 -12.162 3.994 458 HG13 VAL 54 3HG1 VAL 54 -5.492 -12.415 2.744 459 HG21 VAL 54 3HG2 VAL 54 -6.947 -13.831 4.505 460 HG22 VAL 54 1HG2 VAL 54 -5.690 -13.223 5.583 461 HG23 VAL 54 2HG2 VAL 54 -6.023 -14.955 5.503 462 H THR 55 H THR 55 -7.103 -16.196 4.357 463 HA THR 55 HA THR 55 -5.990 -18.892 4.109 464 HB THR 55 HB THR 55 -6.534 -17.596 6.787 465 HG1 THR 55 1HG THR 55 -4.608 -16.826 6.621 466 HG21 THR 55 3HG2 THR 55 -6.365 -20.283 6.142 467 HG22 THR 55 1HG2 THR 55 -6.206 -19.563 7.744 468 HG23 THR 55 2HG2 THR 55 -4.768 -19.875 6.771 469 H GLU 56 H GLU 56 -8.428 -17.629 3.148 470 HA GLU 56 HA GLU 56 -10.416 -19.192 4.661 471 HB2 GLU 56 2HB GLU 56 -10.432 -16.449 3.990 472 HB3 GLU 56 1HB GLU 56 -11.640 -17.214 2.970 473 HG2 GLU 56 2HG GLU 56 -12.672 -18.201 4.977 474 HG3 GLU 56 1HG GLU 56 -11.494 -17.345 5.971 Start of MODEL 7 1 H1 THR 1 1HT THR 1 -13.190 18.373 -4.328 2 H2 THR 1 2HT THR 1 -13.239 16.727 -3.845 3 H3 THR 1 3HT THR 1 -14.692 17.549 -4.247 4 HA THR 1 HA THR 1 -13.750 15.985 -5.932 5 HB THR 1 HB THR 1 -15.512 17.570 -6.422 6 HG1 THR 1 1HG THR 1 -14.467 16.574 -8.215 7 HG21 THR 1 1HG2 THR 1 -14.637 19.813 -7.491 8 HG22 THR 1 2HG2 THR 1 -13.328 19.568 -6.333 9 HG23 THR 1 3HG2 THR 1 -14.995 19.679 -5.769 10 H THR 2 H THR 2 -11.379 16.979 -4.503 11 HA THR 2 HA THR 2 -9.664 17.543 -6.834 12 HB THR 2 HB THR 2 -8.157 18.771 -5.358 13 HG1 THR 2 1HG THR 2 -10.073 18.178 -3.357 14 HG21 THR 2 3HG2 THR 2 -9.404 20.486 -6.031 15 HG22 THR 2 1HG2 THR 2 -10.109 20.423 -4.416 16 HG23 THR 2 2HG2 THR 2 -10.916 19.617 -5.762 17 H TYR 3 H TYR 3 -7.485 16.684 -6.710 18 HA TYR 3 HA TYR 3 -7.444 14.113 -5.299 19 HB2 TYR 3 2HB TYR 3 -6.855 14.781 -7.934 20 HB3 TYR 3 1HB TYR 3 -5.275 14.548 -7.194 21 HD1 TYR 3 2HD TYR 3 -8.622 12.868 -7.137 22 HD2 TYR 3 1HD TYR 3 -4.397 12.432 -7.385 23 HE1 TYR 3 2HE TYR 3 -8.890 10.434 -7.350 24 HE2 TYR 3 1HE TYR 3 -4.654 9.996 -7.600 25 HH TYR 3 HH TYR 3 -6.353 8.378 -8.296 26 H LYS 4 H LYS 4 -5.852 13.560 -3.885 27 HA LYS 4 HA LYS 4 -4.451 15.631 -2.559 28 HB2 LYS 4 2HB LYS 4 -3.851 12.679 -2.359 29 HB3 LYS 4 1HB LYS 4 -3.563 13.920 -1.147 30 HG2 LYS 4 2HG LYS 4 -5.646 13.800 -0.349 31 HG3 LYS 4 1HG LYS 4 -6.361 13.687 -1.959 32 HD2 LYS 4 2HD LYS 4 -4.841 11.325 -1.064 33 HD3 LYS 4 1HD LYS 4 -6.329 11.661 -0.176 34 HE2 LYS 4 2HE LYS 4 -6.089 11.375 -3.168 35 HE3 LYS 4 1HE LYS 4 -6.715 10.150 -2.066 36 HZ1 LYS 4 3HZ LYS 4 -8.326 12.052 -1.388 37 HZ2 LYS 4 1HZ LYS 4 -8.629 11.151 -2.788 38 HZ3 LYS 4 2HZ LYS 4 -7.934 12.688 -2.906 39 H LEU 5 H LEU 5 -1.948 14.644 -2.013 40 HA LEU 5 HA LEU 5 -0.478 14.078 -4.392 41 HB2 LEU 5 2HB LEU 5 -1.208 16.696 -4.138 42 HB3 LEU 5 1HB LEU 5 0.369 16.696 -3.368 43 HG LEU 5 HG LEU 5 1.268 15.593 -5.462 44 HD11 LEU 5 1HD1 LEU 5 -1.554 16.066 -6.265 45 HD12 LEU 5 2HD1 LEU 5 -0.472 14.734 -6.665 46 HD13 LEU 5 3HD1 LEU 5 -0.288 16.292 -7.470 47 HD21 LEU 5 3HD2 LEU 5 1.848 17.621 -6.252 48 HD22 LEU 5 1HD2 LEU 5 1.042 18.187 -4.786 49 HD23 LEU 5 2HD2 LEU 5 0.180 18.191 -6.325 50 H ILE 6 H ILE 6 0.199 16.037 -1.498 51 HA ILE 6 HA ILE 6 2.187 14.006 -0.712 52 HB ILE 6 HB ILE 6 2.374 16.957 -0.118 53 HG12 ILE 6 2HG1 ILE 6 4.375 15.900 -1.932 54 HG13 ILE 6 1HG1 ILE 6 2.753 15.735 -2.600 55 HG21 ILE 6 1HG2 ILE 6 3.714 16.026 1.461 56 HG22 ILE 6 2HG2 ILE 6 4.867 16.062 0.130 57 HG23 ILE 6 3HG2 ILE 6 4.009 14.568 0.515 58 HD11 ILE 6 3HD1 ILE 6 2.387 18.132 -2.257 59 HD12 ILE 6 1HD1 ILE 6 3.769 17.811 -3.302 60 HD13 ILE 6 2HD1 ILE 6 4.019 18.276 -1.619 61 H LEU 7 H LEU 7 1.622 12.978 1.080 62 HA LEU 7 HA LEU 7 0.380 14.498 3.259 63 HB2 LEU 7 2HB LEU 7 -0.600 11.923 2.074 64 HB3 LEU 7 1HB LEU 7 -1.018 12.401 3.705 65 HG LEU 7 HG LEU 7 -1.856 14.593 2.555 66 HD11 LEU 7 1HD1 LEU 7 -0.884 13.436 0.327 67 HD12 LEU 7 2HD1 LEU 7 -2.183 14.628 0.337 68 HD13 LEU 7 3HD1 LEU 7 -2.566 12.908 0.264 69 HD21 LEU 7 3HD2 LEU 7 -3.940 13.802 2.876 70 HD22 LEU 7 1HD2 LEU 7 -3.078 12.428 3.567 71 HD23 LEU 7 2HD2 LEU 7 -3.655 12.359 1.901 72 H ASN 8 H ASN 8 1.199 11.081 2.731 73 HA ASN 8 HA ASN 8 3.571 11.062 4.215 74 HB2 ASN 8 2HB ASN 8 1.311 11.307 5.861 75 HB3 ASN 8 1HB ASN 8 1.796 9.620 5.985 76 HD21 ASN 8 1HD2 ASN 8 3.718 9.094 6.950 77 HD22 ASN 8 2HD2 ASN 8 4.676 10.239 7.829 78 H LEU 9 H LEU 9 4.565 9.410 3.279 79 HA LEU 9 HA LEU 9 3.034 7.155 2.270 80 HB2 LEU 9 2HB LEU 9 5.877 8.071 1.959 81 HB3 LEU 9 1HB LEU 9 5.413 6.429 1.525 82 HG LEU 9 HG LEU 9 5.454 7.913 -0.427 83 HD11 LEU 9 1HD1 LEU 9 3.184 6.350 0.452 84 HD12 LEU 9 2HD1 LEU 9 3.942 6.445 -1.137 85 HD13 LEU 9 3HD1 LEU 9 2.706 7.617 -0.680 86 HD21 LEU 9 3HD2 LEU 9 4.545 9.855 1.190 87 HD22 LEU 9 1HD2 LEU 9 3.033 9.370 0.424 88 HD23 LEU 9 2HD2 LEU 9 4.391 9.901 -0.567 89 H LYS 10 H LYS 10 5.580 7.885 4.549 90 HA LYS 10 HA LYS 10 6.347 5.449 5.492 91 HB2 LYS 10 2HB LYS 10 6.446 8.143 6.350 92 HB3 LYS 10 1HB LYS 10 5.909 7.193 7.731 93 HG2 LYS 10 2HG LYS 10 7.876 5.677 7.315 94 HG3 LYS 10 1HG LYS 10 8.448 6.876 6.153 95 HD2 LYS 10 2HD LYS 10 9.121 8.286 7.766 96 HD3 LYS 10 1HD LYS 10 7.699 7.976 8.764 97 HE2 LYS 10 2HE LYS 10 8.658 6.075 9.740 98 HE3 LYS 10 1HE LYS 10 9.891 5.946 8.485 99 HZ1 LYS 10 3HZ LYS 10 10.340 7.005 10.885 100 HZ2 LYS 10 1HZ LYS 10 9.911 8.400 10.031 101 HZ3 LYS 10 2HZ LYS 10 11.203 7.448 9.499 102 H GLN 11 H GLN 11 3.392 7.203 6.170 103 HA GLN 11 HA GLN 11 2.399 5.572 8.239 104 HB2 GLN 11 2HB GLN 11 1.463 7.755 7.845 105 HB3 GLN 11 1HB GLN 11 1.001 7.322 6.212 106 HG2 GLN 11 2HG GLN 11 -0.963 7.293 7.527 107 HG3 GLN 11 1HG GLN 11 -0.536 5.614 7.207 108 HE21 GLN 11 1HE2 GLN 11 -1.000 8.029 9.582 109 HE22 GLN 11 2HE2 GLN 11 -0.711 7.040 10.969 110 H ALA 12 H ALA 12 2.023 5.473 4.723 111 HA ALA 12 HA ALA 12 0.295 3.177 4.779 112 HB1 ALA 12 1HB ALA 12 -0.061 4.594 2.948 113 HB2 ALA 12 2HB ALA 12 0.787 3.206 2.267 114 HB3 ALA 12 3HB ALA 12 1.661 4.704 2.585 115 H LYS 13 H LYS 13 3.708 3.792 4.061 116 HA LYS 13 HA LYS 13 4.400 1.204 3.237 117 HB2 LYS 13 2HB LYS 13 6.211 3.101 4.731 118 HB3 LYS 13 1HB LYS 13 6.679 1.847 3.591 119 HG2 LYS 13 2HG LYS 13 4.862 3.678 2.337 120 HG3 LYS 13 1HG LYS 13 6.204 4.558 3.068 121 HD2 LYS 13 2HD LYS 13 7.642 2.683 1.927 122 HD3 LYS 13 1HD LYS 13 6.224 2.520 0.888 123 HE2 LYS 13 2HE LYS 13 6.364 4.845 0.261 124 HE3 LYS 13 1HE LYS 13 7.686 5.108 1.398 125 HZ1 LYS 13 3HZ LYS 13 8.060 3.033 -0.619 126 HZ2 LYS 13 1HZ LYS 13 9.178 4.123 0.034 127 HZ3 LYS 13 2HZ LYS 13 8.092 4.635 -1.158 128 H GLU 14 H GLU 14 4.575 2.711 6.454 129 HA GLU 14 HA GLU 14 5.580 0.432 7.786 130 HB2 GLU 14 2HB GLU 14 3.997 2.775 8.866 131 HB3 GLU 14 1HB GLU 14 4.777 1.558 9.864 132 HG2 GLU 14 2HG GLU 14 6.714 2.548 8.050 133 HG3 GLU 14 1HG GLU 14 5.876 3.922 8.761 134 H GLU 15 H GLU 15 2.313 1.539 7.088 135 HA GLU 15 HA GLU 15 1.029 -0.443 8.693 136 HB2 GLU 15 2HB GLU 15 0.118 1.836 7.777 137 HB3 GLU 15 1HB GLU 15 -0.328 0.873 6.376 138 HG2 GLU 15 2HG GLU 15 -2.108 0.069 7.413 139 HG3 GLU 15 1HG GLU 15 -1.140 -0.450 8.791 140 H ALA 16 H ALA 16 2.087 -0.229 5.368 141 HA ALA 16 HA ALA 16 0.659 -2.413 4.324 142 HB1 ALA 16 1HB ALA 16 2.560 -2.442 2.619 143 HB2 ALA 16 2HB ALA 16 3.209 -1.061 3.502 144 HB3 ALA 16 3HB ALA 16 1.615 -0.958 2.756 145 H ILE 17 H ILE 17 3.961 -2.249 5.663 146 HA ILE 17 HA ILE 17 4.504 -5.004 5.320 147 HB ILE 17 HB ILE 17 6.363 -3.513 5.560 148 HG12 ILE 17 2HG1 ILE 17 7.675 -4.682 7.232 149 HG13 ILE 17 1HG1 ILE 17 6.223 -5.166 8.101 150 HG21 ILE 17 1HG2 ILE 17 6.662 -1.959 7.190 151 HG22 ILE 17 2HG2 ILE 17 5.883 -2.941 8.430 152 HG23 ILE 17 3HG2 ILE 17 4.904 -2.062 7.255 153 HD11 ILE 17 3HD1 ILE 17 7.028 -7.040 6.886 154 HD12 ILE 17 1HD1 ILE 17 7.111 -6.108 5.394 155 HD13 ILE 17 2HD1 ILE 17 5.548 -6.482 6.116 156 H LYS 18 H LYS 18 3.568 -3.160 8.207 157 HA LYS 18 HA LYS 18 3.425 -5.325 9.968 158 HB2 LYS 18 2HB LYS 18 2.225 -3.874 11.458 159 HB3 LYS 18 1HB LYS 18 3.478 -2.933 10.664 160 HG2 LYS 18 2HG LYS 18 1.743 -2.115 9.072 161 HG3 LYS 18 1HG LYS 18 0.531 -2.922 10.070 162 HD2 LYS 18 2HD LYS 18 2.071 -1.444 11.866 163 HD3 LYS 18 1HD LYS 18 1.863 -0.382 10.474 164 HE2 LYS 18 2HE LYS 18 -0.121 0.137 11.355 165 HE3 LYS 18 1HE LYS 18 -0.647 -1.459 10.822 166 HZ1 LYS 18 3HZ LYS 18 0.217 -2.268 13.045 167 HZ2 LYS 18 1HZ LYS 18 -1.201 -1.343 13.076 168 HZ3 LYS 18 2HZ LYS 18 0.276 -0.643 13.511 169 H GLU 19 H GLU 19 1.039 -3.858 7.817 170 HA GLU 19 HA GLU 19 -1.191 -5.353 8.669 171 HB2 GLU 19 2HB GLU 19 -1.451 -3.458 7.109 172 HB3 GLU 19 1HB GLU 19 -0.570 -4.347 5.869 173 HG2 GLU 19 2HG GLU 19 -2.541 -5.039 5.148 174 HG3 GLU 19 1HG GLU 19 -2.597 -6.071 6.578 175 H LEU 20 H LEU 20 1.315 -5.982 6.259 176 HA LEU 20 HA LEU 20 0.401 -8.520 5.434 177 HB2 LEU 20 2HB LEU 20 2.484 -6.832 4.791 178 HB3 LEU 20 1HB LEU 20 3.312 -8.175 5.566 179 HG LEU 20 HG LEU 20 1.771 -9.593 3.914 180 HD11 LEU 20 1HD1 LEU 20 0.571 -8.256 2.607 181 HD12 LEU 20 2HD1 LEU 20 2.085 -7.937 1.752 182 HD13 LEU 20 3HD1 LEU 20 1.526 -6.832 3.021 183 HD21 LEU 20 3HD2 LEU 20 4.397 -9.072 4.093 184 HD22 LEU 20 1HD2 LEU 20 4.055 -8.307 2.542 185 HD23 LEU 20 2HD2 LEU 20 3.688 -10.015 2.782 186 H VAL 21 H VAL 21 2.355 -7.340 8.078 187 HA VAL 21 HA VAL 21 3.218 -9.858 9.040 188 HB VAL 21 HB VAL 21 3.001 -7.301 10.636 189 HG11 VAL 21 1HG1 VAL 21 4.151 -9.978 11.140 190 HG12 VAL 21 2HG1 VAL 21 3.437 -8.820 12.259 191 HG13 VAL 21 3HG1 VAL 21 5.086 -8.584 11.682 192 HG21 VAL 21 3HG2 VAL 21 4.720 -8.016 8.435 193 HG22 VAL 21 1HG2 VAL 21 5.662 -7.782 9.911 194 HG23 VAL 21 2HG2 VAL 21 4.618 -6.499 9.318 195 H ASP 22 H ASP 22 0.411 -7.837 9.671 196 HA ASP 22 HA ASP 22 -0.497 -9.359 11.919 197 HB2 ASP 22 2HB ASP 22 -1.874 -7.330 10.154 198 HB3 ASP 22 1HB ASP 22 -2.627 -8.066 11.567 199 H ALA 23 H ALA 23 -0.907 -9.556 8.470 200 HA ALA 23 HA ALA 23 -2.950 -11.644 8.809 201 HB1 ALA 23 1HB ALA 23 -2.362 -10.797 6.073 202 HB2 ALA 23 2HB ALA 23 -2.937 -9.498 7.117 203 HB3 ALA 23 3HB ALA 23 -3.908 -10.953 6.908 204 H GLY 24 H GLY 24 -0.410 -11.068 6.374 205 HA2 GLY 24 2HA GLY 24 1.518 -12.507 6.165 206 HA3 GLY 24 1HA GLY 24 0.553 -13.807 6.860 207 H THR 25 H THR 25 0.788 -11.692 4.028 208 HA THR 25 HA THR 25 -0.255 -13.912 2.392 209 HB THR 25 HB THR 25 -1.893 -12.042 2.658 210 HG1 THR 25 1HG THR 25 -2.230 -13.119 0.830 211 HG21 THR 25 3HG2 THR 25 -0.010 -10.434 0.958 212 HG22 THR 25 1HG2 THR 25 -0.201 -10.200 2.696 213 HG23 THR 25 2HG2 THR 25 -1.571 -9.941 1.617 214 H ALA 26 H ALA 26 0.111 -12.966 -0.072 215 HA ALA 26 HA ALA 26 2.788 -13.453 -0.624 216 HB1 ALA 26 1HB ALA 26 0.540 -13.295 -2.090 217 HB2 ALA 26 2HB ALA 26 2.161 -13.337 -2.784 218 HB3 ALA 26 3HB ALA 26 1.332 -11.793 -2.569 219 H GLU 27 H GLU 27 4.219 -12.182 0.487 220 HA GLU 27 HA GLU 27 4.089 -9.458 0.936 221 HB2 GLU 27 2HB GLU 27 6.529 -9.544 1.275 222 HB3 GLU 27 1HB GLU 27 5.699 -10.867 2.080 223 HG2 GLU 27 2HG GLU 27 6.555 -11.541 -0.616 224 HG3 GLU 27 1HG GLU 27 7.889 -11.080 0.439 225 H LYS 28 H LYS 28 5.040 -11.169 -1.956 226 HA LYS 28 HA LYS 28 6.546 -9.384 -3.351 227 HB2 LYS 28 2HB LYS 28 4.168 -10.785 -4.578 228 HB3 LYS 28 1HB LYS 28 5.660 -10.306 -5.378 229 HG2 LYS 28 2HG LYS 28 6.507 -12.305 -4.966 230 HG3 LYS 28 1HG LYS 28 6.374 -11.992 -3.234 231 HD2 LYS 28 2HD LYS 28 4.985 -13.754 -3.222 232 HD3 LYS 28 1HD LYS 28 3.802 -12.632 -3.890 233 HE2 LYS 28 2HE LYS 28 5.137 -13.406 -6.130 234 HE3 LYS 28 1HE LYS 28 5.201 -14.874 -5.156 235 HZ1 LYS 28 3HZ LYS 28 2.653 -14.197 -4.855 236 HZ2 LYS 28 1HZ LYS 28 3.196 -15.214 -6.090 237 HZ3 LYS 28 2HZ LYS 28 2.929 -13.580 -6.405 238 H TYR 29 H TYR 29 3.150 -9.152 -2.556 239 HA TYR 29 HA TYR 29 2.603 -6.917 -4.249 240 HB2 TYR 29 2HB TYR 29 1.115 -8.652 -2.546 241 HB3 TYR 29 1HB TYR 29 0.793 -6.990 -2.046 242 HD1 TYR 29 1HD TYR 29 0.486 -5.392 -4.275 243 HD2 TYR 29 2HD TYR 29 -0.360 -9.544 -3.965 244 HE1 TYR 29 1HE TYR 29 -1.106 -5.203 -6.139 245 HE2 TYR 29 2HE TYR 29 -1.942 -9.371 -5.812 246 HH TYR 29 HH TYR 29 -2.118 -6.682 -7.855 247 H ILE 30 H ILE 30 3.419 -7.327 -0.814 248 HA ILE 30 HA ILE 30 3.155 -4.659 -0.030 249 HB ILE 30 HB ILE 30 3.647 -6.755 1.422 250 HG12 ILE 30 2HG1 ILE 30 3.300 -4.554 2.401 251 HG13 ILE 30 1HG1 ILE 30 4.621 -5.371 3.223 252 HG21 ILE 30 1HG2 ILE 30 6.435 -6.029 1.713 253 HG22 ILE 30 2HG2 ILE 30 6.081 -6.677 0.115 254 HG23 ILE 30 3HG2 ILE 30 5.689 -7.617 1.549 255 HD11 ILE 30 3HD1 ILE 30 5.582 -3.351 2.978 256 HD12 ILE 30 1HD1 ILE 30 4.651 -2.957 1.531 257 HD13 ILE 30 2HD1 ILE 30 6.043 -4.035 1.419 258 H LYS 31 H LYS 31 5.648 -6.323 -1.797 259 HA LYS 31 HA LYS 31 7.609 -4.257 -1.659 260 HB2 LYS 31 2HB LYS 31 8.147 -6.621 -2.207 261 HB3 LYS 31 1HB LYS 31 7.271 -6.442 -3.726 262 HG2 LYS 31 2HG LYS 31 9.254 -4.367 -3.417 263 HG3 LYS 31 1HG LYS 31 9.972 -5.971 -3.279 264 HD2 LYS 31 2HD LYS 31 9.763 -6.340 -5.468 265 HD3 LYS 31 1HD LYS 31 8.066 -5.858 -5.450 266 HE2 LYS 31 2HE LYS 31 9.638 -4.498 -6.918 267 HE3 LYS 31 1HE LYS 31 8.592 -3.599 -5.820 268 HZ1 LYS 31 3HZ LYS 31 11.204 -4.329 -4.780 269 HZ2 LYS 31 1HZ LYS 31 10.333 -2.890 -4.606 270 HZ3 LYS 31 2HZ LYS 31 11.203 -3.187 -6.020 271 H LEU 32 H LEU 32 4.864 -4.995 -3.670 272 HA LEU 32 HA LEU 32 5.443 -3.183 -5.783 273 HB2 LEU 32 2HB LEU 32 3.552 -5.148 -5.312 274 HB3 LEU 32 1HB LEU 32 2.601 -3.668 -5.264 275 HG LEU 32 HG LEU 32 4.458 -4.290 -7.553 276 HD11 LEU 32 1HD1 LEU 32 1.760 -5.368 -6.959 277 HD12 LEU 32 2HD1 LEU 32 3.103 -6.092 -7.842 278 HD13 LEU 32 3HD1 LEU 32 2.097 -4.867 -8.616 279 HD21 LEU 32 3HD2 LEU 32 2.091 -2.458 -7.189 280 HD22 LEU 32 1HD2 LEU 32 2.878 -2.769 -8.737 281 HD23 LEU 32 2HD2 LEU 32 3.778 -1.997 -7.431 282 H ILE 33 H ILE 33 3.874 -2.905 -2.667 283 HA ILE 33 HA ILE 33 2.718 -0.342 -3.179 284 HB ILE 33 HB ILE 33 1.900 -0.354 -1.020 285 HG12 ILE 33 2HG1 ILE 33 3.116 -2.198 0.594 286 HG13 ILE 33 1HG1 ILE 33 4.478 -1.601 -0.343 287 HG21 ILE 33 1HG2 ILE 33 0.774 -2.310 -0.897 288 HG22 ILE 33 2HG2 ILE 33 2.230 -3.290 -1.068 289 HG23 ILE 33 3HG2 ILE 33 1.505 -2.536 -2.486 290 HD11 ILE 33 3HD1 ILE 33 3.843 0.703 0.307 291 HD12 ILE 33 1HD1 ILE 33 4.309 -0.323 1.660 292 HD13 ILE 33 2HD1 ILE 33 2.604 0.015 1.358 293 H ALA 34 H ALA 34 5.786 -1.469 -1.973 294 HA ALA 34 HA ALA 34 6.729 0.767 -0.637 295 HB1 ALA 34 1HB ALA 34 8.522 -0.787 -2.459 296 HB2 ALA 34 2HB ALA 34 7.822 -1.546 -1.028 297 HB3 ALA 34 3HB ALA 34 8.858 -0.127 -0.858 298 H ASN 35 H ASN 35 6.188 0.296 -4.028 299 HA ASN 35 HA ASN 35 7.506 2.857 -4.629 300 HB2 ASN 35 2HB ASN 35 7.503 0.331 -5.978 301 HB3 ASN 35 1HB ASN 35 6.751 1.535 -7.029 302 HD21 ASN 35 1HD2 ASN 35 9.618 0.840 -5.107 303 HD22 ASN 35 2HD2 ASN 35 10.701 1.810 -6.039 304 H ALA 36 H ALA 36 4.528 1.625 -3.972 305 HA ALA 36 HA ALA 36 2.691 2.372 -5.781 306 HB1 ALA 36 1HB ALA 36 2.567 2.871 -2.816 307 HB2 ALA 36 2HB ALA 36 2.058 1.416 -3.676 308 HB3 ALA 36 3HB ALA 36 1.181 2.928 -3.905 309 H LYS 37 H LYS 37 4.659 4.564 -3.894 310 HA LYS 37 HA LYS 37 5.016 6.804 -4.035 311 HB2 LYS 37 2HB LYS 37 3.751 6.214 -6.673 312 HB3 LYS 37 1HB LYS 37 3.891 7.903 -6.182 313 HG2 LYS 37 2HG LYS 37 6.393 6.808 -5.662 314 HG3 LYS 37 1HG LYS 37 5.898 6.099 -7.197 315 HD2 LYS 37 2HD LYS 37 5.618 9.042 -6.704 316 HD3 LYS 37 1HD LYS 37 7.161 8.355 -7.202 317 HE2 LYS 37 2HE LYS 37 5.332 7.210 -8.935 318 HE3 LYS 37 1HE LYS 37 4.761 8.868 -8.754 319 HZ1 LYS 37 3HZ LYS 37 6.270 9.299 -10.330 320 HZ2 LYS 37 1HZ LYS 37 7.134 7.869 -10.066 321 HZ3 LYS 37 2HZ LYS 37 7.405 9.217 -9.079 322 H THR 38 H THR 38 1.793 6.638 -5.540 323 HA THR 38 HA THR 38 0.771 8.760 -3.971 324 HB THR 38 HB THR 38 -1.433 8.083 -4.904 325 HG1 THR 38 1HG THR 38 0.012 6.012 -6.184 326 HG21 THR 38 3HG2 THR 38 -0.841 9.302 -6.646 327 HG22 THR 38 1HG2 THR 38 -0.206 7.841 -7.405 328 HG23 THR 38 2HG2 THR 38 0.854 8.862 -6.433 329 H VAL 39 H VAL 39 0.012 8.758 -1.961 330 HA VAL 39 HA VAL 39 0.172 6.676 -0.181 331 HB VAL 39 HB VAL 39 -1.556 7.901 1.191 332 HG11 VAL 39 1HG1 VAL 39 0.659 9.625 0.090 333 HG12 VAL 39 2HG1 VAL 39 0.884 8.347 1.285 334 HG13 VAL 39 3HG1 VAL 39 -0.105 9.754 1.675 335 HG21 VAL 39 3HG2 VAL 39 -2.153 10.184 0.341 336 HG22 VAL 39 1HG2 VAL 39 -2.937 8.850 -0.503 337 HG23 VAL 39 2HG2 VAL 39 -1.566 9.677 -1.242 338 H GLU 40 H GLU 40 -2.682 7.638 -2.067 339 HA GLU 40 HA GLU 40 -4.478 5.777 -0.997 340 HB2 GLU 40 2HB GLU 40 -4.753 7.809 -2.702 341 HB3 GLU 40 1HB GLU 40 -4.703 6.501 -3.874 342 HG2 GLU 40 2HG GLU 40 -6.887 6.309 -3.538 343 HG3 GLU 40 1HG GLU 40 -6.474 5.573 -1.990 344 H GLY 41 H GLY 41 -2.548 5.565 -3.993 345 HA2 GLY 41 2HA GLY 41 -3.332 3.040 -4.816 346 HA3 GLY 41 1HA GLY 41 -1.757 3.744 -5.146 347 H VAL 42 H VAL 42 -1.225 3.884 -2.187 348 HA VAL 42 HA VAL 42 -0.012 1.291 -1.985 349 HB VAL 42 HB VAL 42 -0.085 3.072 0.399 350 HG11 VAL 42 1HG1 VAL 42 1.205 0.948 0.323 351 HG12 VAL 42 2HG1 VAL 42 2.196 2.369 0.655 352 HG13 VAL 42 3HG1 VAL 42 2.204 1.650 -0.955 353 HG21 VAL 42 3HG2 VAL 42 0.869 3.939 -2.243 354 HG22 VAL 42 1HG2 VAL 42 2.006 4.176 -0.917 355 HG23 VAL 42 2HG2 VAL 42 0.398 4.889 -0.839 356 H TRP 43 H TRP 43 -2.438 3.052 -0.063 357 HA TRP 43 HA TRP 43 -3.034 1.031 1.759 358 HB2 TRP 43 2HB TRP 43 -4.896 3.122 0.623 359 HB3 TRP 43 1HB TRP 43 -5.192 2.187 2.078 360 HD1 TRP 43 HD TRP 43 -3.802 5.418 1.000 361 HE1 TRP 43 1HE TRP 43 -2.499 6.530 2.922 362 HE3 TRP 43 3HE TRP 43 -3.459 1.424 4.131 363 HZ2 TRP 43 2HZ TRP 43 -1.459 5.794 5.450 364 HZ3 TRP 43 3HZ TRP 43 -2.296 1.696 6.288 365 HH2 TRP 43 HH TRP 43 -1.316 3.838 6.930 366 H THR 44 H THR 44 -3.979 1.423 -1.565 367 HA THR 44 HA THR 44 -6.125 -0.472 -1.491 368 HB THR 44 HB THR 44 -4.620 0.364 -3.961 369 HG1 THR 44 1HG THR 44 -6.657 1.815 -2.626 370 HG21 THR 44 3HG2 THR 44 -6.503 -0.114 -5.155 371 HG22 THR 44 1HG2 THR 44 -7.575 0.131 -3.776 372 HG23 THR 44 2HG2 THR 44 -6.607 -1.338 -3.889 373 H LEU 45 H LEU 45 -2.766 -0.556 -2.662 374 HA LEU 45 HA LEU 45 -2.718 -3.119 -3.691 375 HB2 LEU 45 2HB LEU 45 -0.524 -1.631 -2.253 376 HB3 LEU 45 1HB LEU 45 -0.283 -3.097 -3.188 377 HD11 LEU 45 1HD2 LEU 45 0.734 -0.149 -3.353 378 HD12 LEU 45 2HD2 LEU 45 0.607 0.160 -5.085 379 HD13 LEU 45 3HD2 LEU 45 1.431 -1.289 -4.505 380 HD21 LEU 45 3HD1 LEU 45 -1.298 -3.166 -5.363 381 HD22 LEU 45 1HD1 LEU 45 0.222 -2.484 -5.942 382 HD23 LEU 45 2HD1 LEU 45 -1.309 -1.727 -6.383 383 H LYS 46 H LYS 46 -2.047 -2.136 -0.327 384 HA LYS 46 HA LYS 46 -1.559 -4.765 0.616 385 HB2 LYS 46 2HB LYS 46 -2.321 -3.570 2.877 386 HB3 LYS 46 1HB LYS 46 -0.745 -3.299 2.153 387 HG2 LYS 46 2HG LYS 46 -1.310 -1.184 1.396 388 HG3 LYS 46 1HG LYS 46 -3.042 -1.508 1.475 389 HD2 LYS 46 2HD LYS 46 -1.420 -1.560 3.980 390 HD3 LYS 46 1HD LYS 46 -1.893 -0.010 3.285 391 HE2 LYS 46 2HE LYS 46 -4.192 -0.506 3.498 392 HE3 LYS 46 1HE LYS 46 -3.870 -2.211 3.815 393 HZ1 LYS 46 3HZ LYS 46 -4.245 -1.466 5.918 394 HZ2 LYS 46 1HZ LYS 46 -3.653 0.089 5.614 395 HZ3 LYS 46 2HZ LYS 46 -2.578 -1.195 5.841 396 H ASP 47 H ASP 47 -4.426 -2.672 0.972 397 HA ASP 47 HA ASP 47 -6.076 -4.580 2.173 398 HB2 ASP 47 2HB ASP 47 -6.333 -1.953 1.671 399 HB3 ASP 47 1HB ASP 47 -7.349 -2.588 0.380 400 H GLU 48 H GLU 48 -5.129 -4.141 -1.120 401 HA GLU 48 HA GLU 48 -7.285 -5.522 -2.349 402 HB2 GLU 48 2HB GLU 48 -5.820 -3.994 -3.596 403 HB3 GLU 48 1HB GLU 48 -4.462 -5.080 -3.340 404 HG2 GLU 48 2HG GLU 48 -5.324 -6.693 -4.782 405 HG3 GLU 48 1HG GLU 48 -6.949 -6.011 -4.720 406 H ILE 49 H ILE 49 -4.123 -6.515 -1.122 407 HA ILE 49 HA ILE 49 -4.245 -9.168 -2.114 408 HB ILE 49 HB ILE 49 -2.771 -8.409 0.393 409 HG12 ILE 49 2HG1 ILE 49 -1.203 -8.238 -2.061 410 HG13 ILE 49 1HG1 ILE 49 -2.481 -7.030 -2.005 411 HG21 ILE 49 1HG2 ILE 49 -2.675 -10.718 -0.031 412 HG22 ILE 49 2HG2 ILE 49 -1.139 -10.071 -0.607 413 HG23 ILE 49 3HG2 ILE 49 -2.412 -10.473 -1.758 414 HD11 ILE 49 3HD1 ILE 49 -0.859 -5.868 -0.945 415 HD12 ILE 49 1HD1 ILE 49 -0.063 -7.320 -0.335 416 HD13 ILE 49 2HD1 ILE 49 -1.520 -6.715 0.452 417 H LYS 50 H LYS 50 -5.285 -7.652 0.905 418 HA LYS 50 HA LYS 50 -5.922 -10.049 2.260 419 HB2 LYS 50 2HB LYS 50 -6.732 -7.189 2.597 420 HB3 LYS 50 1HB LYS 50 -7.555 -8.438 3.518 421 HG2 LYS 50 2HG LYS 50 -5.941 -8.101 5.023 422 HG3 LYS 50 1HG LYS 50 -4.951 -9.085 3.946 423 HD2 LYS 50 2HD LYS 50 -4.818 -6.520 2.879 424 HD3 LYS 50 1HD LYS 50 -4.720 -6.281 4.623 425 HE2 LYS 50 2HE LYS 50 -2.980 -8.117 2.979 426 HE3 LYS 50 1HE LYS 50 -2.502 -6.555 3.641 427 HZ1 LYS 50 3HZ LYS 50 -3.363 -7.814 5.836 428 HZ2 LYS 50 1HZ LYS 50 -1.751 -7.806 5.324 429 HZ3 LYS 50 2HZ LYS 50 -2.747 -9.122 4.956 430 H THR 51 H THR 51 -7.643 -8.111 -0.079 431 HA THR 51 HA THR 51 -10.189 -9.349 0.350 432 HB THR 51 HB THR 51 -9.328 -7.917 -2.158 433 HG1 THR 51 1HG THR 51 -9.080 -6.195 -1.016 434 HG21 THR 51 3HG2 THR 51 -11.856 -8.813 -1.093 435 HG22 THR 51 1HG2 THR 51 -11.455 -8.203 -2.698 436 HG23 THR 51 2HG2 THR 51 -11.849 -7.076 -1.399 437 H PHE 52 H PHE 52 -7.652 -9.678 -2.125 438 HA PHE 52 HA PHE 52 -8.180 -12.448 -2.459 439 HB2 PHE 52 2HB PHE 52 -9.176 -12.491 -4.582 440 HB3 PHE 52 1HB PHE 52 -10.029 -11.162 -3.800 441 HD1 PHE 52 1HD PHE 52 -7.864 -9.080 -4.035 442 HD2 PHE 52 2HD PHE 52 -9.414 -11.887 -6.831 443 HE1 PHE 52 1HE PHE 52 -7.226 -7.587 -5.879 444 HE2 PHE 52 2HE PHE 52 -8.778 -10.399 -8.683 445 HZ PHE 52 HZ PHE 52 -7.681 -8.245 -8.211 446 H THR 53 H THR 53 -7.133 -12.518 -5.168 447 HA THR 53 HA THR 53 -4.559 -11.197 -5.048 448 HB THR 53 HB THR 53 -3.599 -13.656 -5.550 449 HG1 THR 53 1HG THR 53 -4.591 -15.102 -4.092 450 HG21 THR 53 3HG2 THR 53 -2.894 -12.010 -3.757 451 HG22 THR 53 1HG2 THR 53 -2.680 -13.723 -3.402 452 HG23 THR 53 2HG2 THR 53 -4.037 -12.840 -2.703 453 H VAL 54 H VAL 54 -5.642 -14.138 -6.727 454 HA VAL 54 HA VAL 54 -5.103 -12.784 -9.276 455 HB VAL 54 HB VAL 54 -5.190 -15.106 -10.239 456 HG11 VAL 54 1HG1 VAL 54 -3.162 -14.136 -8.301 457 HG12 VAL 54 2HG1 VAL 54 -3.025 -14.425 -10.035 458 HG13 VAL 54 3HG1 VAL 54 -3.000 -15.783 -8.909 459 HG21 VAL 54 3HG2 VAL 54 -6.409 -15.820 -7.948 460 HG22 VAL 54 1HG2 VAL 54 -4.749 -16.284 -7.571 461 HG23 VAL 54 2HG2 VAL 54 -5.551 -16.954 -8.991 462 H THR 55 H THR 55 -6.592 -12.796 -10.964 463 HA THR 55 HA THR 55 -9.366 -13.267 -10.125 464 HB THR 55 HB THR 55 -8.605 -11.732 -12.586 465 HG1 THR 55 1HG THR 55 -8.312 -9.905 -11.380 466 HG21 THR 55 3HG2 THR 55 -10.780 -11.100 -10.631 467 HG22 THR 55 1HG2 THR 55 -11.010 -12.263 -11.935 468 HG23 THR 55 2HG2 THR 55 -10.612 -10.587 -12.310 469 H GLU 56 H GLU 56 -7.593 -15.387 -11.032 470 HA GLU 56 HA GLU 56 -8.828 -16.105 -13.603 471 HB2 GLU 56 2HB GLU 56 -6.437 -17.392 -12.278 472 HB3 GLU 56 1HB GLU 56 -7.016 -17.667 -13.916 473 HG2 GLU 56 2HG GLU 56 -6.425 -15.417 -14.549 474 HG3 GLU 56 1HG GLU 56 -5.956 -15.045 -12.890 Start of MODEL 8 1 H1 THR 1 1HT THR 1 22.553 12.982 12.350 2 H2 THR 1 2HT THR 1 21.316 12.402 11.315 3 H3 THR 1 3HT THR 1 21.478 11.763 12.900 4 HA THR 1 HA THR 1 20.961 13.910 13.815 5 HB THR 1 HB THR 1 19.857 15.448 11.978 6 HG1 THR 1 1HG THR 1 21.850 14.125 10.465 7 HG21 THR 1 1HG2 THR 1 22.751 15.220 12.643 8 HG22 THR 1 2HG2 THR 1 21.586 16.456 13.109 9 HG23 THR 1 3HG2 THR 1 22.198 16.401 11.456 10 H THR 2 H THR 2 19.356 12.552 10.935 11 HA THR 2 HA THR 2 16.879 12.363 12.513 12 HB THR 2 HB THR 2 15.633 12.501 10.478 13 HG1 THR 2 1HG THR 2 16.632 12.487 8.471 14 HG21 THR 2 3HG2 THR 2 17.160 14.602 11.315 15 HG22 THR 2 1HG2 THR 2 15.900 14.676 10.084 16 HG23 THR 2 2HG2 THR 2 17.581 14.484 9.603 17 H TYR 3 H TYR 3 15.915 10.427 12.795 18 HA TYR 3 HA TYR 3 17.328 8.080 11.752 19 HB2 TYR 3 2HB TYR 3 16.358 8.709 14.297 20 HB3 TYR 3 1HB TYR 3 15.242 7.499 13.684 21 HD1 TYR 3 1HD TYR 3 18.826 8.165 14.354 22 HD2 TYR 3 2HD TYR 3 15.851 5.222 13.598 23 HE1 TYR 3 1HE TYR 3 20.442 6.399 14.926 24 HE2 TYR 3 2HE TYR 3 17.456 3.447 14.168 25 HH TYR 3 HH TYR 3 20.002 3.201 14.164 26 H LYS 4 H LYS 4 14.001 9.221 12.294 27 HA LYS 4 HA LYS 4 13.098 7.378 10.185 28 HB2 LYS 4 2HB LYS 4 11.364 8.846 12.173 29 HB3 LYS 4 1HB LYS 4 10.909 7.498 11.140 30 HG2 LYS 4 2HG LYS 4 11.859 5.949 12.495 31 HG3 LYS 4 1HG LYS 4 13.121 7.052 13.056 32 HD2 LYS 4 2HD LYS 4 10.974 8.269 14.103 33 HD3 LYS 4 1HD LYS 4 10.383 6.609 14.089 34 HE2 LYS 4 2HE LYS 4 11.400 6.872 16.187 35 HE3 LYS 4 1HE LYS 4 12.568 5.973 15.217 36 HZ1 LYS 4 3HZ LYS 4 12.719 8.685 16.263 37 HZ2 LYS 4 1HZ LYS 4 13.369 8.439 14.718 38 HZ3 LYS 4 2HZ LYS 4 13.947 7.543 16.033 39 H LEU 5 H LEU 5 10.723 8.562 9.485 40 HA LEU 5 HA LEU 5 10.933 11.306 8.863 41 HB2 LEU 5 2HB LEU 5 12.631 9.798 7.349 42 HB3 LEU 5 1HB LEU 5 11.212 9.854 6.323 43 HG LEU 5 HG LEU 5 11.272 12.373 6.566 44 HD11 LEU 5 1HD1 LEU 5 12.577 12.771 8.456 45 HD12 LEU 5 2HD1 LEU 5 13.631 13.212 7.114 46 HD13 LEU 5 3HD1 LEU 5 13.847 11.664 7.931 47 HD21 LEU 5 3HD2 LEU 5 12.262 10.878 4.673 48 HD22 LEU 5 1HD2 LEU 5 13.816 11.417 5.327 49 HD23 LEU 5 2HD2 LEU 5 12.648 12.599 4.730 50 H ILE 6 H ILE 6 8.836 11.773 8.957 51 HA ILE 6 HA ILE 6 6.908 9.947 7.712 52 HB ILE 6 HB ILE 6 6.315 12.178 9.655 53 HG12 ILE 6 2HG1 ILE 6 6.014 9.448 10.648 54 HG13 ILE 6 1HG1 ILE 6 7.679 9.830 10.233 55 HG21 ILE 6 1HG2 ILE 6 4.318 11.749 8.622 56 HG22 ILE 6 2HG2 ILE 6 4.254 10.593 9.952 57 HG23 ILE 6 3HG2 ILE 6 4.704 10.053 8.335 58 HD11 ILE 6 3HD1 ILE 6 7.595 11.780 11.700 59 HD12 ILE 6 1HD1 ILE 6 7.222 10.291 12.569 60 HD13 ILE 6 2HD1 ILE 6 5.922 11.391 12.111 61 H LEU 7 H LEU 7 6.229 10.520 5.756 62 HA LEU 7 HA LEU 7 5.930 13.390 5.164 63 HB2 LEU 7 2HB LEU 7 6.295 11.674 2.822 64 HB3 LEU 7 1HB LEU 7 7.016 13.223 3.209 65 HG LEU 7 HG LEU 7 8.778 11.648 2.977 66 HD11 LEU 7 1HD1 LEU 7 9.891 12.424 4.733 67 HD12 LEU 7 2HD1 LEU 7 8.841 11.580 5.873 68 HD13 LEU 7 3HD1 LEU 7 8.371 13.157 5.239 69 HD21 LEU 7 3HD2 LEU 7 8.047 9.880 5.189 70 HD22 LEU 7 1HD2 LEU 7 8.714 9.500 3.601 71 HD23 LEU 7 2HD2 LEU 7 6.980 9.760 3.789 72 H ASN 8 H ASN 8 4.904 10.192 3.964 73 HA ASN 8 HA ASN 8 2.172 10.594 4.365 74 HB2 ASN 8 2HB ASN 8 3.190 11.992 2.078 75 HB3 ASN 8 1HB ASN 8 2.112 10.712 1.532 76 HD21 ASN 8 1HD2 ASN 8 2.340 13.809 2.844 77 HD22 ASN 8 2HD2 ASN 8 0.664 14.062 3.177 78 H LEU 9 H LEU 9 4.693 9.086 2.446 79 HA LEU 9 HA LEU 9 3.021 6.786 1.835 80 HB2 LEU 9 2HB LEU 9 5.908 7.423 1.220 81 HB3 LEU 9 1HB LEU 9 5.133 5.902 0.790 82 HG LEU 9 HG LEU 9 5.189 7.340 -1.142 83 HD11 LEU 9 1HD1 LEU 9 2.999 6.038 -0.274 84 HD12 LEU 9 2HD1 LEU 9 3.100 6.863 -1.829 85 HD13 LEU 9 3HD1 LEU 9 2.347 7.666 -0.450 86 HD21 LEU 9 3HD2 LEU 9 3.394 9.372 0.039 87 HD22 LEU 9 1HD2 LEU 9 4.651 9.542 -1.185 88 HD23 LEU 9 2HD2 LEU 9 5.089 9.429 0.519 89 H LYS 10 H LYS 10 5.801 7.673 3.763 90 HA LYS 10 HA LYS 10 6.618 5.303 4.843 91 HB2 LYS 10 2HB LYS 10 6.994 8.014 5.342 92 HB3 LYS 10 1HB LYS 10 6.394 7.380 6.871 93 HG2 LYS 10 2HG LYS 10 8.584 6.981 7.224 94 HG3 LYS 10 1HG LYS 10 8.229 5.509 6.320 95 HD2 LYS 10 2HD LYS 10 8.840 6.883 4.237 96 HD3 LYS 10 1HD LYS 10 9.565 8.025 5.370 97 HE2 LYS 10 2HE LYS 10 10.857 6.070 6.305 98 HE3 LYS 10 1HE LYS 10 10.294 5.137 4.930 99 HZ1 LYS 10 3HZ LYS 10 11.711 6.152 3.555 100 HZ2 LYS 10 1HZ LYS 10 12.540 6.601 4.959 101 HZ3 LYS 10 2HZ LYS 10 11.461 7.681 4.234 102 H GLN 11 H GLN 11 3.802 7.216 5.649 103 HA GLN 11 HA GLN 11 3.004 5.766 7.948 104 HB2 GLN 11 2HB GLN 11 2.182 8.005 7.562 105 HB3 GLN 11 1HB GLN 11 1.464 7.523 6.031 106 HG2 GLN 11 2HG GLN 11 -0.412 7.407 7.251 107 HG3 GLN 11 1HG GLN 11 0.209 5.822 7.704 108 HE21 GLN 11 1HE2 GLN 11 -1.389 8.142 9.011 109 HE22 GLN 11 2HE2 GLN 11 -0.675 8.256 10.580 110 H ALA 12 H ALA 12 2.270 5.508 4.509 111 HA ALA 12 HA ALA 12 0.348 3.400 4.844 112 HB1 ALA 12 1HB ALA 12 -0.060 3.636 2.632 113 HB2 ALA 12 2HB ALA 12 1.648 3.761 2.217 114 HB3 ALA 12 3HB ALA 12 0.791 5.161 2.863 115 H LYS 13 H LYS 13 3.736 3.617 3.823 116 HA LYS 13 HA LYS 13 4.125 0.927 3.151 117 HB2 LYS 13 2HB LYS 13 5.803 2.662 2.647 118 HB3 LYS 13 1HB LYS 13 6.156 2.822 4.363 119 HG2 LYS 13 2HG LYS 13 6.399 0.079 3.580 120 HG3 LYS 13 1HG LYS 13 7.355 1.101 2.503 121 HD2 LYS 13 2HD LYS 13 7.632 1.879 5.290 122 HD3 LYS 13 1HD LYS 13 8.099 0.199 5.015 123 HE2 LYS 13 2HE LYS 13 9.428 1.151 3.009 124 HE3 LYS 13 1HE LYS 13 9.244 2.699 3.829 125 HZ1 LYS 13 3HZ LYS 13 11.253 1.015 4.281 126 HZ2 LYS 13 1HZ LYS 13 10.176 0.506 5.483 127 HZ3 LYS 13 2HZ LYS 13 10.687 2.117 5.431 128 H GLU 14 H GLU 14 4.635 2.562 6.265 129 HA GLU 14 HA GLU 14 5.436 0.257 7.682 130 HB2 GLU 14 2HB GLU 14 4.141 2.799 8.692 131 HB3 GLU 14 1HB GLU 14 4.838 1.558 9.723 132 HG2 GLU 14 2HG GLU 14 6.802 2.241 7.818 133 HG3 GLU 14 1HG GLU 14 6.122 3.747 8.434 134 H GLU 15 H GLU 15 2.304 1.628 6.937 135 HA GLU 15 HA GLU 15 0.822 -0.061 8.705 136 HB2 GLU 15 2HB GLU 15 0.248 2.022 6.734 137 HB3 GLU 15 1HB GLU 15 -0.953 0.739 6.747 138 HG2 GLU 15 2HG GLU 15 -0.532 1.297 9.426 139 HG3 GLU 15 1HG GLU 15 -0.502 2.875 8.641 140 H ALA 16 H ALA 16 1.888 -0.238 5.378 141 HA ALA 16 HA ALA 16 0.250 -2.422 4.600 142 HB1 ALA 16 1HB ALA 16 2.861 -1.449 3.441 143 HB2 ALA 16 2HB ALA 16 1.245 -0.932 2.955 144 HB3 ALA 16 3HB ALA 16 1.763 -2.595 2.672 145 H ILE 17 H ILE 17 3.460 -2.181 6.027 146 HA ILE 17 HA ILE 17 4.100 -4.936 5.705 147 HB ILE 17 HB ILE 17 5.917 -3.391 5.920 148 HG12 ILE 17 2HG1 ILE 17 7.257 -4.516 7.602 149 HG13 ILE 17 1HG1 ILE 17 5.814 -4.988 8.497 150 HG21 ILE 17 1HG2 ILE 17 6.350 -2.082 7.908 151 HG22 ILE 17 2HG2 ILE 17 4.916 -2.738 8.693 152 HG23 ILE 17 3HG2 ILE 17 4.752 -1.697 7.279 153 HD11 ILE 17 3HD1 ILE 17 5.466 -6.776 7.224 154 HD12 ILE 17 1HD1 ILE 17 7.144 -6.557 6.724 155 HD13 ILE 17 2HD1 ILE 17 5.834 -5.910 5.734 156 H LYS 18 H LYS 18 3.056 -3.034 8.513 157 HA LYS 18 HA LYS 18 2.994 -5.104 10.369 158 HB2 LYS 18 2HB LYS 18 1.493 -3.678 11.692 159 HB3 LYS 18 1HB LYS 18 2.870 -2.783 11.069 160 HG2 LYS 18 2HG LYS 18 1.590 -1.434 9.812 161 HG3 LYS 18 1HG LYS 18 0.460 -2.716 9.386 162 HD2 LYS 18 2HD LYS 18 -0.904 -1.489 10.730 163 HD3 LYS 18 1HD LYS 18 -0.144 -2.492 11.968 164 HE2 LYS 18 2HE LYS 18 1.207 -0.776 12.717 165 HE3 LYS 18 1HE LYS 18 1.118 0.098 11.189 166 HZ1 LYS 18 3HZ LYS 18 -1.430 0.162 11.954 167 HZ2 LYS 18 1HZ LYS 18 -0.309 1.371 12.338 168 HZ3 LYS 18 2HZ LYS 18 -0.676 0.166 13.468 169 H GLU 19 H GLU 19 0.562 -4.023 8.046 170 HA GLU 19 HA GLU 19 -1.527 -5.669 9.014 171 HB2 GLU 19 2HB GLU 19 -1.027 -4.628 6.209 172 HB3 GLU 19 1HB GLU 19 -2.516 -5.398 6.740 173 HG2 GLU 19 2HG GLU 19 -1.565 -3.063 8.291 174 HG3 GLU 19 1HG GLU 19 -2.211 -2.766 6.677 175 H LEU 20 H LEU 20 1.052 -6.125 6.648 176 HA LEU 20 HA LEU 20 0.296 -8.754 5.900 177 HB2 LEU 20 2HB LEU 20 2.241 -6.901 5.164 178 HB3 LEU 20 1HB LEU 20 3.157 -8.243 5.830 179 HG LEU 20 HG LEU 20 1.535 -9.643 4.248 180 HD11 LEU 20 1HD1 LEU 20 0.171 -8.188 3.213 181 HD12 LEU 20 2HD1 LEU 20 1.537 -8.048 2.101 182 HD13 LEU 20 3HD1 LEU 20 1.297 -6.842 3.374 183 HD21 LEU 20 3HD2 LEU 20 3.324 -9.903 2.830 184 HD22 LEU 20 1HD2 LEU 20 4.122 -9.222 4.248 185 HD23 LEU 20 2HD2 LEU 20 3.747 -8.193 2.868 186 H VAL 21 H VAL 21 2.252 -7.310 8.409 187 HA VAL 21 HA VAL 21 3.398 -9.675 9.432 188 HB VAL 21 HB VAL 21 2.830 -7.141 10.984 189 HG11 VAL 21 1HG1 VAL 21 4.270 -9.647 11.573 190 HG12 VAL 21 2HG1 VAL 21 3.455 -8.521 12.657 191 HG13 VAL 21 3HG1 VAL 21 5.072 -8.151 12.055 192 HG21 VAL 21 3HG2 VAL 21 5.566 -7.438 10.206 193 HG22 VAL 21 1HG2 VAL 21 4.445 -6.132 9.824 194 HG23 VAL 21 2HG2 VAL 21 4.548 -7.543 8.772 195 H ASP 22 H ASP 22 0.356 -8.012 9.998 196 HA ASP 22 HA ASP 22 -0.393 -9.610 12.254 197 HB2 ASP 22 2HB ASP 22 -1.533 -7.412 10.708 198 HB3 ASP 22 1HB ASP 22 -2.744 -8.587 11.209 199 H ALA 23 H ALA 23 -0.433 -10.109 8.863 200 HA ALA 23 HA ALA 23 -2.014 -12.551 9.269 201 HB1 ALA 23 1HB ALA 23 -3.606 -11.155 8.268 202 HB2 ALA 23 2HB ALA 23 -2.982 -12.142 6.947 203 HB3 ALA 23 3HB ALA 23 -2.431 -10.477 7.140 204 H GLY 24 H GLY 24 -0.787 -11.282 6.211 205 HA2 GLY 24 2HA GLY 24 1.690 -12.295 5.934 206 HA3 GLY 24 1HA GLY 24 0.692 -13.742 5.795 207 H THR 25 H THR 25 -1.142 -13.545 4.177 208 HA THR 25 HA THR 25 -1.600 -13.539 1.931 209 HB THR 25 HB THR 25 -2.396 -11.313 2.913 210 HG1 THR 25 1HG THR 25 -2.924 -12.219 0.785 211 HG21 THR 25 3HG2 THR 25 -0.333 -10.092 3.061 212 HG22 THR 25 1HG2 THR 25 -1.397 -9.302 1.899 213 HG23 THR 25 2HG2 THR 25 -0.046 -10.284 1.329 214 H ALA 26 H ALA 26 -0.801 -11.954 -0.169 215 HA ALA 26 HA ALA 26 1.779 -13.089 -0.766 216 HB1 ALA 26 1HB ALA 26 1.257 -12.754 -2.946 217 HB2 ALA 26 2HB ALA 26 0.526 -11.186 -2.647 218 HB3 ALA 26 3HB ALA 26 -0.377 -12.652 -2.288 219 H GLU 27 H GLU 27 3.339 -12.048 0.409 220 HA GLU 27 HA GLU 27 3.519 -9.349 0.994 221 HB2 GLU 27 2HB GLU 27 5.967 -10.991 0.405 222 HB3 GLU 27 1HB GLU 27 5.763 -9.725 1.601 223 HG2 GLU 27 2HG GLU 27 3.901 -11.701 2.271 224 HG3 GLU 27 1HG GLU 27 5.385 -12.548 1.858 225 H LYS 28 H LYS 28 4.280 -11.027 -1.962 226 HA LYS 28 HA LYS 28 5.989 -9.361 -3.279 227 HB2 LYS 28 2HB LYS 28 3.535 -10.687 -4.442 228 HB3 LYS 28 1HB LYS 28 4.892 -10.067 -5.372 229 HG2 LYS 28 2HG LYS 28 5.792 -12.090 -5.226 230 HG3 LYS 28 1HG LYS 28 6.058 -11.765 -3.511 231 HD2 LYS 28 2HD LYS 28 4.375 -13.122 -2.862 232 HD3 LYS 28 1HD LYS 28 3.343 -12.662 -4.215 233 HE2 LYS 28 2HE LYS 28 4.763 -14.062 -5.699 234 HE3 LYS 28 1HE LYS 28 5.648 -14.603 -4.273 235 HZ1 LYS 28 3HZ LYS 28 4.003 -16.222 -4.792 236 HZ2 LYS 28 1HZ LYS 28 2.778 -15.057 -4.875 237 HZ3 LYS 28 2HZ LYS 28 3.494 -15.420 -3.387 238 H TYR 29 H TYR 29 2.558 -8.830 -2.661 239 HA TYR 29 HA TYR 29 2.265 -6.597 -4.373 240 HB2 TYR 29 2HB TYR 29 0.619 -8.054 -2.603 241 HB3 TYR 29 1HB TYR 29 0.558 -6.372 -2.069 242 HD1 TYR 29 2HD TYR 29 0.354 -4.691 -4.225 243 HD2 TYR 29 1HD TYR 29 -0.989 -8.716 -4.006 244 HE1 TYR 29 2HE TYR 29 -1.270 -4.245 -6.016 245 HE2 TYR 29 1HE TYR 29 -2.603 -8.288 -5.781 246 HH TYR 29 HH TYR 29 -3.759 -5.637 -6.634 247 H ILE 30 H ILE 30 3.306 -6.966 -1.033 248 HA ILE 30 HA ILE 30 3.365 -4.234 -0.344 249 HB ILE 30 HB ILE 30 5.134 -6.446 0.709 250 HG12 ILE 30 2HG1 ILE 30 3.063 -7.247 1.281 251 HG13 ILE 30 1HG1 ILE 30 3.305 -6.139 2.629 252 HG21 ILE 30 1HG2 ILE 30 5.505 -5.059 2.620 253 HG22 ILE 30 2HG2 ILE 30 4.355 -3.855 2.035 254 HG23 ILE 30 3HG2 ILE 30 5.879 -4.107 1.183 255 HD11 ILE 30 3HD1 ILE 30 1.070 -5.908 1.733 256 HD12 ILE 30 1HD1 ILE 30 1.723 -5.588 0.129 257 HD13 ILE 30 2HD1 ILE 30 1.996 -4.439 1.438 258 H LYS 31 H LYS 31 5.521 -6.308 -2.096 259 HA LYS 31 HA LYS 31 7.788 -4.605 -2.110 260 HB2 LYS 31 2HB LYS 31 7.935 -6.977 -2.737 261 HB3 LYS 31 1HB LYS 31 6.908 -6.675 -4.138 262 HG2 LYS 31 2HG LYS 31 8.881 -4.873 -4.560 263 HG3 LYS 31 1HG LYS 31 9.770 -6.158 -3.741 264 HD2 LYS 31 2HD LYS 31 9.922 -7.046 -5.796 265 HD3 LYS 31 1HD LYS 31 8.269 -7.588 -5.503 266 HE2 LYS 31 2HE LYS 31 7.630 -5.259 -6.463 267 HE3 LYS 31 1HE LYS 31 9.258 -5.288 -7.140 268 HZ1 LYS 31 3HZ LYS 31 7.288 -6.216 -8.506 269 HZ2 LYS 31 1HZ LYS 31 7.472 -7.591 -7.538 270 HZ3 LYS 31 2HZ LYS 31 8.754 -7.052 -8.497 271 H LEU 32 H LEU 32 4.823 -4.778 -3.921 272 HA LEU 32 HA LEU 32 5.615 -2.912 -5.964 273 HB2 LEU 32 2HB LEU 32 3.625 -4.787 -5.744 274 HB3 LEU 32 1HB LEU 32 2.733 -3.296 -5.461 275 HG LEU 32 HG LEU 32 4.548 -3.499 -7.837 276 HD11 LEU 32 1HD1 LEU 32 3.174 -4.805 -9.057 277 HD12 LEU 32 2HD1 LEU 32 1.720 -4.222 -8.246 278 HD13 LEU 32 3HD1 LEU 32 2.728 -5.449 -7.477 279 HD21 LEU 32 3HD2 LEU 32 3.089 -1.867 -8.760 280 HD22 LEU 32 1HD2 LEU 32 3.448 -1.361 -7.109 281 HD23 LEU 32 2HD2 LEU 32 1.897 -2.116 -7.483 282 H ILE 33 H ILE 33 3.963 -2.775 -2.869 283 HA ILE 33 HA ILE 33 2.965 -0.131 -3.176 284 HB ILE 33 HB ILE 33 2.207 -0.241 -0.982 285 HG12 ILE 33 2HG1 ILE 33 3.386 -2.391 0.342 286 HG13 ILE 33 1HG1 ILE 33 4.731 -1.603 -0.468 287 HG21 ILE 33 1HG2 ILE 33 1.609 -2.221 -2.631 288 HG22 ILE 33 2HG2 ILE 33 0.952 -2.128 -0.995 289 HG23 ILE 33 3HG2 ILE 33 2.325 -3.176 -1.336 290 HD11 ILE 33 3HD1 ILE 33 2.768 -0.223 1.342 291 HD12 ILE 33 1HD1 ILE 33 4.202 0.489 0.604 292 HD13 ILE 33 2HD1 ILE 33 4.372 -0.783 1.814 293 H ALA 34 H ALA 34 6.001 -1.455 -2.103 294 HA ALA 34 HA ALA 34 7.046 0.671 -0.656 295 HB1 ALA 34 1HB ALA 34 8.162 -1.482 -0.812 296 HB2 ALA 34 2HB ALA 34 9.257 -0.185 -1.292 297 HB3 ALA 34 3HB ALA 34 8.502 -1.201 -2.519 298 H ASN 35 H ASN 35 6.482 0.361 -4.065 299 HA ASN 35 HA ASN 35 8.045 2.766 -4.644 300 HB2 ASN 35 2HB ASN 35 7.402 0.398 -6.111 301 HB3 ASN 35 1HB ASN 35 6.748 1.789 -6.981 302 HD21 ASN 35 1HD2 ASN 35 9.153 -0.131 -7.218 303 HD22 ASN 35 2HD2 ASN 35 10.461 0.937 -7.595 304 H ALA 36 H ALA 36 4.975 2.050 -3.659 305 HA ALA 36 HA ALA 36 3.241 3.448 -5.278 306 HB1 ALA 36 1HB ALA 36 2.853 2.092 -3.075 307 HB2 ALA 36 2HB ALA 36 1.724 3.359 -3.559 308 HB3 ALA 36 3HB ALA 36 2.940 3.685 -2.324 309 H LYS 37 H LYS 37 2.808 5.536 -5.687 310 HA LYS 37 HA LYS 37 4.515 7.539 -4.376 311 HB2 LYS 37 2HB LYS 37 4.486 7.288 -6.923 312 HB3 LYS 37 1HB LYS 37 2.869 7.995 -6.869 313 HG2 LYS 37 2HG LYS 37 4.292 9.775 -5.382 314 HG3 LYS 37 1HG LYS 37 5.492 9.254 -6.564 315 HD2 LYS 37 2HD LYS 37 2.716 10.108 -7.349 316 HD3 LYS 37 1HD LYS 37 4.048 11.259 -7.188 317 HE2 LYS 37 2HE LYS 37 4.877 8.999 -8.757 318 HE3 LYS 37 1HE LYS 37 3.395 9.685 -9.421 319 HZ1 LYS 37 3HZ LYS 37 5.591 10.637 -10.228 320 HZ2 LYS 37 1HZ LYS 37 5.704 11.392 -8.717 321 HZ3 LYS 37 2HZ LYS 37 4.406 11.743 -9.744 322 H THR 38 H THR 38 1.179 6.749 -5.119 323 HA THR 38 HA THR 38 0.257 9.089 -3.616 324 HB THR 38 HB THR 38 -2.024 7.868 -4.454 325 HG1 THR 38 1HG THR 38 -1.293 6.314 -5.722 326 HG21 THR 38 3HG2 THR 38 -1.745 10.136 -4.944 327 HG22 THR 38 1HG2 THR 38 -1.872 9.338 -6.512 328 HG23 THR 38 2HG2 THR 38 -0.295 9.840 -5.903 329 H VAL 39 H VAL 39 -0.691 8.930 -1.655 330 HA VAL 39 HA VAL 39 -0.254 6.787 0.020 331 HB VAL 39 HB VAL 39 -2.104 7.730 1.454 332 HG11 VAL 39 1HG1 VAL 39 -0.759 9.424 2.220 333 HG12 VAL 39 2HG1 VAL 39 -0.346 9.980 0.598 334 HG13 VAL 39 3HG1 VAL 39 0.389 8.512 1.242 335 HG21 VAL 39 3HG2 VAL 39 -3.692 8.765 0.213 336 HG22 VAL 39 1HG2 VAL 39 -2.547 9.267 -1.031 337 HG23 VAL 39 2HG2 VAL 39 -2.655 10.166 0.481 338 H GLU 40 H GLU 40 -3.256 7.541 -1.744 339 HA GLU 40 HA GLU 40 -4.775 5.393 -0.808 340 HB2 GLU 40 2HB GLU 40 -5.234 7.497 -2.478 341 HB3 GLU 40 1HB GLU 40 -5.237 6.156 -3.617 342 HG2 GLU 40 2HG GLU 40 -6.802 5.189 -1.605 343 HG3 GLU 40 1HG GLU 40 -7.193 6.909 -1.584 344 H GLY 41 H GLY 41 -2.470 5.595 -3.464 345 HA2 GLY 41 2HA GLY 41 -3.043 3.116 -4.667 346 HA3 GLY 41 1HA GLY 41 -1.518 3.979 -4.784 347 H VAL 42 H VAL 42 -1.170 3.928 -1.839 348 HA VAL 42 HA VAL 42 0.131 1.357 -1.727 349 HB VAL 42 HB VAL 42 0.021 3.016 0.734 350 HG11 VAL 42 1HG1 VAL 42 2.331 2.404 0.919 351 HG12 VAL 42 2HG1 VAL 42 2.359 1.805 -0.741 352 HG13 VAL 42 3HG1 VAL 42 1.409 0.961 0.489 353 HG21 VAL 42 3HG2 VAL 42 0.384 4.928 -0.403 354 HG22 VAL 42 1HG2 VAL 42 0.912 4.090 -1.862 355 HG23 VAL 42 2HG2 VAL 42 2.032 4.309 -0.519 356 H TRP 43 H TRP 43 -2.381 3.006 0.193 357 HA TRP 43 HA TRP 43 -2.938 0.885 1.929 358 HB2 TRP 43 2HB TRP 43 -4.278 3.381 1.128 359 HB3 TRP 43 1HB TRP 43 -5.370 2.119 1.672 360 HD1 TRP 43 HD TRP 43 -5.309 1.426 4.215 361 HE1 TRP 43 1HE TRP 43 -4.307 2.533 6.306 362 HE3 TRP 43 3HE TRP 43 -2.202 4.825 1.951 363 HZ2 TRP 43 2HZ TRP 43 -2.459 4.565 6.921 364 HZ3 TRP 43 3HZ TRP 43 -0.860 6.307 3.374 365 HH2 TRP 43 HH TRP 43 -0.983 6.179 5.805 366 H THR 44 H THR 44 -3.977 1.527 -1.346 367 HA THR 44 HA THR 44 -6.062 -0.417 -1.400 368 HB THR 44 HB THR 44 -4.529 0.786 -3.711 369 HG1 THR 44 1HG THR 44 -6.798 1.671 -2.282 370 HG21 THR 44 3HG2 THR 44 -7.113 0.419 -4.524 371 HG22 THR 44 1HG2 THR 44 -6.787 -1.039 -3.588 372 HG23 THR 44 2HG2 THR 44 -5.742 -0.609 -4.943 373 H LEU 45 H LEU 45 -2.686 -0.387 -2.502 374 HA LEU 45 HA LEU 45 -2.581 -2.878 -3.710 375 HB2 LEU 45 2HB LEU 45 -0.452 -1.444 -2.126 376 HB3 LEU 45 1HB LEU 45 -0.161 -2.874 -3.095 377 HD11 LEU 45 1HD2 LEU 45 0.444 0.770 -4.459 378 HD12 LEU 45 2HD2 LEU 45 1.523 -0.624 -4.488 379 HD13 LEU 45 3HD2 LEU 45 0.831 -0.077 -2.961 380 HD21 LEU 45 3HD1 LEU 45 -1.316 -2.257 -5.864 381 HD22 LEU 45 1HD1 LEU 45 0.210 -2.855 -5.216 382 HD23 LEU 45 2HD1 LEU 45 0.187 -1.405 -6.219 383 H LYS 46 H LYS 46 -1.976 -2.104 -0.271 384 HA LYS 46 HA LYS 46 -1.509 -4.777 0.533 385 HB2 LYS 46 2HB LYS 46 -1.862 -3.936 2.819 386 HB3 LYS 46 1HB LYS 46 -0.780 -2.903 1.898 387 HG2 LYS 46 2HG LYS 46 -2.698 -1.383 1.463 388 HG3 LYS 46 1HG LYS 46 -3.672 -2.381 2.545 389 HD2 LYS 46 2HD LYS 46 -1.635 -1.957 4.180 390 HD3 LYS 46 1HD LYS 46 -1.432 -0.526 3.166 391 HE2 LYS 46 2HE LYS 46 -2.854 0.317 4.742 392 HE3 LYS 46 1HE LYS 46 -4.027 -0.295 3.577 393 HZ1 LYS 46 3HZ LYS 46 -3.427 -1.219 6.253 394 HZ2 LYS 46 1HZ LYS 46 -3.647 -2.446 5.110 395 HZ3 LYS 46 2HZ LYS 46 -4.869 -1.309 5.375 396 H ASP 47 H ASP 47 -4.396 -2.709 0.728 397 HA ASP 47 HA ASP 47 -6.104 -4.609 1.882 398 HB2 ASP 47 2HB ASP 47 -6.438 -2.036 0.448 399 HB3 ASP 47 1HB ASP 47 -7.848 -3.087 0.507 400 H GLU 48 H GLU 48 -4.953 -4.209 -1.342 401 HA GLU 48 HA GLU 48 -7.019 -5.673 -2.656 402 HB2 GLU 48 2HB GLU 48 -4.421 -4.478 -3.392 403 HB3 GLU 48 1HB GLU 48 -4.905 -5.872 -4.349 404 HG2 GLU 48 2HG GLU 48 -6.839 -4.808 -5.129 405 HG3 GLU 48 1HG GLU 48 -6.752 -3.558 -3.889 406 H ILE 49 H ILE 49 -4.018 -6.497 -1.058 407 HA ILE 49 HA ILE 49 -3.875 -9.149 -2.142 408 HB ILE 49 HB ILE 49 -2.575 -8.662 0.465 409 HG12 ILE 49 2HG1 ILE 49 -1.350 -7.345 -1.931 410 HG13 ILE 49 1HG1 ILE 49 -2.475 -6.461 -0.916 411 HG21 ILE 49 1HG2 ILE 49 -2.330 -10.621 -1.218 412 HG22 ILE 49 2HG2 ILE 49 -0.897 -9.989 -0.408 413 HG23 ILE 49 3HG2 ILE 49 -1.248 -9.520 -2.071 414 HD11 ILE 49 3HD1 ILE 49 0.064 -7.744 0.024 415 HD12 ILE 49 1HD1 ILE 49 -1.074 -6.825 1.008 416 HD13 ILE 49 2HD1 ILE 49 -0.184 -6.025 -0.285 417 H LYS 50 H LYS 50 -5.158 -7.670 0.790 418 HA LYS 50 HA LYS 50 -5.784 -10.117 2.097 419 HB2 LYS 50 2HB LYS 50 -6.556 -7.258 2.476 420 HB3 LYS 50 1HB LYS 50 -7.484 -8.498 3.305 421 HG2 LYS 50 2HG LYS 50 -5.900 -7.948 4.877 422 HG3 LYS 50 1HG LYS 50 -5.164 -9.348 4.093 423 HD2 LYS 50 2HD LYS 50 -3.608 -8.058 2.958 424 HD3 LYS 50 1HD LYS 50 -4.582 -6.591 3.090 425 HE2 LYS 50 2HE LYS 50 -2.578 -6.565 4.543 426 HE3 LYS 50 1HE LYS 50 -4.090 -6.416 5.440 427 HZ1 LYS 50 3HZ LYS 50 -3.027 -9.107 5.074 428 HZ2 LYS 50 1HZ LYS 50 -3.822 -8.428 6.405 429 HZ3 LYS 50 2HZ LYS 50 -2.187 -8.094 6.138 430 H THR 51 H THR 51 -7.369 -8.204 -0.326 431 HA THR 51 HA THR 51 -9.949 -9.430 0.004 432 HB THR 51 HB THR 51 -10.213 -8.333 -2.384 433 HG1 THR 51 1HG THR 51 -8.007 -7.894 -2.670 434 HG21 THR 51 3HG2 THR 51 -11.262 -7.503 -0.295 435 HG22 THR 51 1HG2 THR 51 -10.801 -6.233 -1.427 436 HG23 THR 51 2HG2 THR 51 -9.808 -6.546 -0.003 437 H PHE 52 H PHE 52 -7.066 -10.047 -1.848 438 HA PHE 52 HA PHE 52 -8.439 -12.274 -3.204 439 HB2 PHE 52 2HB PHE 52 -7.077 -10.222 -4.391 440 HB3 PHE 52 1HB PHE 52 -5.823 -11.448 -4.264 441 HD1 PHE 52 1HD PHE 52 -9.377 -11.096 -5.330 442 HD2 PHE 52 2HD PHE 52 -5.614 -12.979 -5.965 443 HE1 PHE 52 1HE PHE 52 -10.277 -12.212 -7.329 444 HE2 PHE 52 2HE PHE 52 -6.509 -14.091 -7.963 445 HZ PHE 52 HZ PHE 52 -8.842 -13.716 -8.651 446 H THR 53 H THR 53 -7.113 -12.138 -0.504 447 HA THR 53 HA THR 53 -4.735 -13.738 -0.745 448 HB THR 53 HB THR 53 -4.995 -12.163 1.115 449 HG1 THR 53 1HG THR 53 -3.803 -14.186 1.360 450 HG21 THR 53 3HG2 THR 53 -6.979 -13.963 2.418 451 HG22 THR 53 1HG2 THR 53 -7.523 -12.671 1.349 452 HG23 THR 53 2HG2 THR 53 -6.571 -12.288 2.781 453 H VAL 54 H VAL 54 -8.067 -14.309 0.346 454 HA VAL 54 HA VAL 54 -7.652 -17.171 -0.177 455 HB VAL 54 HB VAL 54 -9.249 -16.097 2.150 456 HG11 VAL 54 1HG1 VAL 54 -8.661 -18.832 1.108 457 HG12 VAL 54 2HG1 VAL 54 -10.198 -18.138 1.628 458 HG13 VAL 54 3HG1 VAL 54 -8.980 -18.579 2.825 459 HG21 VAL 54 3HG2 VAL 54 -7.496 -16.499 3.582 460 HG22 VAL 54 1HG2 VAL 54 -6.635 -15.911 2.158 461 HG23 VAL 54 2HG2 VAL 54 -6.721 -17.637 2.486 462 H THR 55 H THR 55 -9.641 -18.358 -0.601 463 HA THR 55 HA THR 55 -11.611 -18.681 -1.686 464 HB THR 55 HB THR 55 -12.493 -15.933 -0.886 465 HG1 THR 55 1HG THR 55 -12.271 -18.199 0.801 466 HG21 THR 55 3HG2 THR 55 -14.639 -16.877 -0.652 467 HG22 THR 55 1HG2 THR 55 -14.009 -18.521 -0.770 468 HG23 THR 55 2HG2 THR 55 -14.000 -17.467 -2.185 469 H GLU 56 H GLU 56 -9.386 -17.542 -3.096 470 HA GLU 56 HA GLU 56 -8.876 -16.649 -5.125 471 HB2 GLU 56 2HB GLU 56 -11.699 -17.489 -5.371 472 HB3 GLU 56 1HB GLU 56 -11.143 -16.343 -6.581 473 HG2 GLU 56 2HG GLU 56 -9.166 -17.954 -6.901 474 HG3 GLU 56 1HG GLU 56 -10.170 -19.121 -6.042 Start of MODEL 9 1 H1 THR 1 1HT THR 1 17.377 14.654 -7.415 2 H2 THR 1 2HT THR 1 15.931 14.432 -6.508 3 H3 THR 1 3HT THR 1 16.384 16.002 -7.042 4 HA THR 1 HA THR 1 15.942 15.523 -9.231 5 HB THR 1 HB THR 1 15.117 12.989 -9.565 6 HG1 THR 1 1HG THR 1 16.385 11.611 -8.354 7 HG21 THR 1 1HG2 THR 1 17.587 14.382 -10.060 8 HG22 THR 1 2HG2 THR 1 16.748 13.188 -11.048 9 HG23 THR 1 3HG2 THR 1 17.858 12.662 -9.783 10 H THR 2 H THR 2 14.206 16.860 -8.616 11 HA THR 2 HA THR 2 12.009 17.402 -8.375 12 HB THR 2 HB THR 2 11.075 14.603 -8.675 13 HG1 THR 2 1HG THR 2 12.483 16.002 -10.695 14 HG21 THR 2 3HG2 THR 2 10.105 16.287 -10.704 15 HG22 THR 2 1HG2 THR 2 10.071 17.216 -9.205 16 HG23 THR 2 2HG2 THR 2 9.245 15.662 -9.298 17 H TYR 3 H TYR 3 10.996 17.860 -6.547 18 HA TYR 3 HA TYR 3 11.317 16.050 -4.273 19 HB2 TYR 3 2HB TYR 3 11.216 18.914 -4.601 20 HB3 TYR 3 1HB TYR 3 9.983 18.402 -3.454 21 HD1 TYR 3 2HD TYR 3 10.772 16.813 -1.556 22 HD2 TYR 3 1HD TYR 3 13.397 19.205 -3.884 23 HE1 TYR 3 2HE TYR 3 12.471 16.641 0.211 24 HE2 TYR 3 1HE TYR 3 15.113 19.045 -2.125 25 HH TYR 3 HH TYR 3 15.718 17.634 -0.272 26 H LYS 4 H LYS 4 9.649 15.068 -3.241 27 HA LYS 4 HA LYS 4 6.965 15.491 -4.377 28 HB2 LYS 4 2HB LYS 4 6.525 13.105 -3.727 29 HB3 LYS 4 1HB LYS 4 7.704 13.310 -5.014 30 HG2 LYS 4 2HG LYS 4 9.210 12.175 -3.863 31 HG3 LYS 4 1HG LYS 4 9.070 13.302 -2.512 32 HD2 LYS 4 2HD LYS 4 7.317 12.032 -1.527 33 HD3 LYS 4 1HD LYS 4 7.144 11.031 -2.970 34 HE2 LYS 4 2HE LYS 4 9.719 11.122 -1.436 35 HE3 LYS 4 1HE LYS 4 8.402 10.059 -0.946 36 HZ1 LYS 4 3HZ LYS 4 8.470 9.006 -3.102 37 HZ2 LYS 4 1HZ LYS 4 10.007 8.949 -2.397 38 HZ3 LYS 4 2HZ LYS 4 9.682 10.062 -3.627 39 H LEU 5 H LEU 5 5.212 14.668 -2.846 40 HA LEU 5 HA LEU 5 5.569 14.614 -0.078 41 HB2 LEU 5 2HB LEU 5 5.884 17.178 -1.180 42 HB3 LEU 5 1HB LEU 5 4.301 17.180 -0.422 43 HG LEU 5 HG LEU 5 6.265 15.983 1.330 44 HD11 LEU 5 1HD1 LEU 5 6.867 18.717 0.228 45 HD12 LEU 5 2HD1 LEU 5 7.938 17.320 0.341 46 HD13 LEU 5 3HD1 LEU 5 7.441 18.177 1.806 47 HD21 LEU 5 3HD2 LEU 5 4.810 18.567 1.762 48 HD22 LEU 5 1HD2 LEU 5 5.262 17.337 2.942 49 HD23 LEU 5 2HD2 LEU 5 3.958 17.022 1.787 50 H ILE 6 H ILE 6 4.003 12.994 -0.382 51 HA ILE 6 HA ILE 6 1.290 13.995 -0.957 52 HB ILE 6 HB ILE 6 2.186 11.132 -1.255 53 HG12 ILE 6 2HG1 ILE 6 1.646 12.453 -3.760 54 HG13 ILE 6 1HG1 ILE 6 2.915 13.312 -2.894 55 HG21 ILE 6 1HG2 ILE 6 -0.130 12.350 -2.672 56 HG22 ILE 6 2HG2 ILE 6 -0.295 11.954 -0.960 57 HG23 ILE 6 3HG2 ILE 6 0.114 10.692 -2.124 58 HD11 ILE 6 3HD1 ILE 6 4.318 11.444 -2.880 59 HD12 ILE 6 1HD1 ILE 6 3.615 11.472 -4.498 60 HD13 ILE 6 2HD1 ILE 6 3.001 10.344 -3.289 61 H LEU 7 H LEU 7 1.028 14.569 1.261 62 HA LEU 7 HA LEU 7 0.351 14.268 3.402 63 HB2 LEU 7 2HB LEU 7 -0.733 11.964 1.906 64 HB3 LEU 7 1HB LEU 7 -0.768 11.838 3.655 65 HG LEU 7 HG LEU 7 -1.851 14.254 3.442 66 HD11 LEU 7 1HD1 LEU 7 -3.489 13.747 1.348 67 HD12 LEU 7 2HD1 LEU 7 -1.958 13.122 0.735 68 HD13 LEU 7 3HD1 LEU 7 -2.074 14.798 1.275 69 HD21 LEU 7 3HD2 LEU 7 -3.661 11.985 2.771 70 HD22 LEU 7 1HD2 LEU 7 -3.853 13.269 3.966 71 HD23 LEU 7 2HD2 LEU 7 -2.747 11.931 4.279 72 H ASN 8 H ASN 8 0.992 10.825 2.930 73 HA ASN 8 HA ASN 8 3.566 10.859 4.148 74 HB2 ASN 8 2HB ASN 8 1.617 11.192 5.995 75 HB3 ASN 8 1HB ASN 8 1.681 9.430 5.928 76 HD21 ASN 8 1HD2 ASN 8 2.319 10.591 8.240 77 HD22 ASN 8 2HD2 ASN 8 4.019 10.514 8.528 78 H LEU 9 H LEU 9 4.533 9.261 3.107 79 HA LEU 9 HA LEU 9 3.000 6.976 2.161 80 HB2 LEU 9 2HB LEU 9 5.827 7.908 1.697 81 HB3 LEU 9 1HB LEU 9 5.262 6.327 1.164 82 HG LEU 9 HG LEU 9 5.197 7.917 -0.675 83 HD11 LEU 9 1HD1 LEU 9 2.336 7.534 0.103 84 HD12 LEU 9 2HD1 LEU 9 3.363 6.143 -0.245 85 HD13 LEU 9 3HD1 LEU 9 3.097 7.376 -1.480 86 HD21 LEU 9 3HD2 LEU 9 4.306 9.996 -0.587 87 HD22 LEU 9 1HD2 LEU 9 4.654 9.817 1.134 88 HD23 LEU 9 2HD2 LEU 9 3.025 9.518 0.528 89 H LYS 10 H LYS 10 5.646 7.771 4.304 90 HA LYS 10 HA LYS 10 6.572 5.339 5.124 91 HB2 LYS 10 2HB LYS 10 6.613 8.012 6.048 92 HB3 LYS 10 1HB LYS 10 6.202 7.005 7.433 93 HG2 LYS 10 2HG LYS 10 8.199 5.588 6.871 94 HG3 LYS 10 1HG LYS 10 8.647 6.823 5.691 95 HD2 LYS 10 2HD LYS 10 8.028 7.900 8.340 96 HD3 LYS 10 1HD LYS 10 9.399 6.789 8.330 97 HE2 LYS 10 2HE LYS 10 10.588 8.594 7.732 98 HE3 LYS 10 1HE LYS 10 9.910 8.313 6.132 99 HZ1 LYS 10 3HZ LYS 10 9.367 10.486 6.443 100 HZ2 LYS 10 1HZ LYS 10 9.194 10.339 8.124 101 HZ3 LYS 10 2HZ LYS 10 7.980 9.769 7.089 102 H GLN 11 H GLN 11 3.602 6.958 6.019 103 HA GLN 11 HA GLN 11 2.811 5.102 8.034 104 HB2 GLN 11 2HB GLN 11 1.924 7.334 8.080 105 HB3 GLN 11 1HB GLN 11 1.302 7.183 6.449 106 HG2 GLN 11 2HG GLN 11 -0.429 5.761 7.123 107 HG3 GLN 11 1HG GLN 11 0.344 5.412 8.670 108 HE21 GLN 11 1HE2 GLN 11 -1.035 8.079 6.795 109 HE22 GLN 11 2HE2 GLN 11 -1.695 8.924 8.150 110 H ALA 12 H ALA 12 2.200 5.479 4.587 111 HA ALA 12 HA ALA 12 0.265 3.385 4.417 112 HB1 ALA 12 1HB ALA 12 1.111 5.414 2.749 113 HB2 ALA 12 2HB ALA 12 -0.031 4.135 2.336 114 HB3 ALA 12 3HB ALA 12 1.679 3.953 1.942 115 H LYS 13 H LYS 13 3.736 3.632 3.792 116 HA LYS 13 HA LYS 13 3.982 0.920 2.891 117 HB2 LYS 13 2HB LYS 13 5.594 2.714 2.239 118 HB3 LYS 13 1HB LYS 13 6.183 2.738 3.898 119 HG2 LYS 13 2HG LYS 13 6.732 0.297 3.611 120 HG3 LYS 13 1HG LYS 13 6.395 0.515 1.893 121 HD2 LYS 13 2HD LYS 13 8.187 1.995 1.610 122 HD3 LYS 13 1HD LYS 13 8.326 2.296 3.344 123 HE2 LYS 13 2HE LYS 13 9.285 0.178 3.736 124 HE3 LYS 13 1HE LYS 13 8.821 -0.415 2.142 125 HZ1 LYS 13 3HZ LYS 13 10.353 1.386 1.258 126 HZ2 LYS 13 1HZ LYS 13 11.087 0.045 1.982 127 HZ3 LYS 13 2HZ LYS 13 10.963 1.502 2.831 128 H GLU 14 H GLU 14 4.808 2.594 5.915 129 HA GLU 14 HA GLU 14 5.822 0.385 7.301 130 HB2 GLU 14 2HB GLU 14 6.031 2.676 8.175 131 HB3 GLU 14 1HB GLU 14 4.292 2.734 8.457 132 HG2 GLU 14 2HG GLU 14 5.073 0.469 9.805 133 HG3 GLU 14 1HG GLU 14 6.415 1.579 10.066 134 H GLU 15 H GLU 15 2.496 1.558 7.013 135 HA GLU 15 HA GLU 15 1.353 -0.377 8.744 136 HB2 GLU 15 2HB GLU 15 0.269 1.472 6.644 137 HB3 GLU 15 1HB GLU 15 -0.769 0.244 7.354 138 HG2 GLU 15 2HG GLU 15 0.577 1.587 9.461 139 HG3 GLU 15 1HG GLU 15 -0.095 2.799 8.369 140 H ALA 16 H ALA 16 2.127 -0.320 5.330 141 HA ALA 16 HA ALA 16 0.626 -2.508 4.457 142 HB1 ALA 16 1HB ALA 16 3.312 -1.535 3.486 143 HB2 ALA 16 2HB ALA 16 1.731 -1.016 2.900 144 HB3 ALA 16 3HB ALA 16 2.273 -2.673 2.628 145 H ILE 17 H ILE 17 3.770 -2.345 6.040 146 HA ILE 17 HA ILE 17 4.357 -5.133 5.760 147 HB ILE 17 HB ILE 17 5.565 -3.556 7.987 148 HG12 ILE 17 2HG1 ILE 17 5.665 -1.834 6.313 149 HG13 ILE 17 1HG1 ILE 17 7.235 -2.639 6.230 150 HG21 ILE 17 1HG2 ILE 17 7.588 -4.735 6.653 151 HG22 ILE 17 2HG2 ILE 17 6.256 -5.812 6.225 152 HG23 ILE 17 3HG2 ILE 17 6.648 -5.525 7.920 153 HD11 ILE 17 3HD1 ILE 17 5.009 -2.598 4.287 154 HD12 ILE 17 1HD1 ILE 17 5.969 -4.072 4.400 155 HD13 ILE 17 2HD1 ILE 17 6.752 -2.537 4.026 156 H LYS 18 H LYS 18 3.304 -3.107 8.449 157 HA LYS 18 HA LYS 18 3.037 -5.012 10.434 158 HB2 LYS 18 2HB LYS 18 2.860 -2.596 10.839 159 HB3 LYS 18 1HB LYS 18 1.327 -2.559 9.978 160 HG2 LYS 18 2HG LYS 18 0.238 -3.804 11.659 161 HG3 LYS 18 1HG LYS 18 1.766 -4.244 12.422 162 HD2 LYS 18 2HD LYS 18 1.725 -1.440 12.349 163 HD3 LYS 18 1HD LYS 18 0.110 -1.934 12.857 164 HE2 LYS 18 2HE LYS 18 1.223 -3.433 14.546 165 HE3 LYS 18 1HE LYS 18 2.744 -2.642 14.132 166 HZ1 LYS 18 3HZ LYS 18 1.249 -1.793 16.096 167 HZ2 LYS 18 1HZ LYS 18 0.465 -0.952 14.855 168 HZ3 LYS 18 2HZ LYS 18 2.117 -0.712 15.129 169 H GLU 19 H GLU 19 0.600 -3.904 8.081 170 HA GLU 19 HA GLU 19 -1.482 -5.560 8.951 171 HB2 GLU 19 2HB GLU 19 -0.890 -4.621 6.131 172 HB3 GLU 19 1HB GLU 19 -2.424 -5.280 6.681 173 HG2 GLU 19 2HG GLU 19 -1.314 -2.918 8.099 174 HG3 GLU 19 1HG GLU 19 -2.016 -2.689 6.498 175 H LEU 20 H LEU 20 1.146 -6.108 6.652 176 HA LEU 20 HA LEU 20 0.356 -8.724 5.912 177 HB2 LEU 20 2HB LEU 20 2.366 -6.908 5.241 178 HB3 LEU 20 1HB LEU 20 3.220 -8.299 5.887 179 HG LEU 20 HG LEU 20 1.568 -9.593 4.231 180 HD11 LEU 20 1HD1 LEU 20 1.572 -8.063 2.126 181 HD12 LEU 20 2HD1 LEU 20 1.635 -6.757 3.315 182 HD13 LEU 20 3HD1 LEU 20 0.298 -7.902 3.339 183 HD21 LEU 20 3HD2 LEU 20 4.188 -9.233 4.310 184 HD22 LEU 20 1HD2 LEU 20 3.854 -8.221 2.906 185 HD23 LEU 20 2HD2 LEU 20 3.396 -9.924 2.894 186 H VAL 21 H VAL 21 2.124 -7.312 8.550 187 HA VAL 21 HA VAL 21 3.216 -9.745 9.548 188 HB VAL 21 HB VAL 21 2.835 -7.188 11.109 189 HG11 VAL 21 1HG1 VAL 21 3.538 -9.623 12.039 190 HG12 VAL 21 2HG1 VAL 21 4.080 -8.102 12.745 191 HG13 VAL 21 3HG1 VAL 21 5.117 -8.962 11.613 192 HG21 VAL 21 3HG2 VAL 21 4.529 -7.722 8.851 193 HG22 VAL 21 1HG2 VAL 21 5.514 -7.468 10.294 194 HG23 VAL 21 2HG2 VAL 21 4.357 -6.242 9.787 195 H ASP 22 H ASP 22 0.295 -7.875 10.148 196 HA ASP 22 HA ASP 22 -0.483 -9.635 12.334 197 HB2 ASP 22 2HB ASP 22 -0.853 -7.133 12.372 198 HB3 ASP 22 1HB ASP 22 -2.084 -7.375 11.135 199 H ALA 23 H ALA 23 -0.959 -9.393 8.949 200 HA ALA 23 HA ALA 23 -3.279 -11.201 9.120 201 HB1 ALA 23 1HB ALA 23 -3.884 -9.184 7.989 202 HB2 ALA 23 2HB ALA 23 -3.773 -10.470 6.787 203 HB3 ALA 23 3HB ALA 23 -2.471 -9.289 6.937 204 H GLY 24 H GLY 24 -0.325 -10.567 7.224 205 HA2 GLY 24 2HA GLY 24 1.188 -12.093 6.350 206 HA3 GLY 24 1HA GLY 24 0.231 -13.390 7.062 207 H THR 25 H THR 25 0.875 -11.533 4.236 208 HA THR 25 HA THR 25 -0.758 -13.370 2.660 209 HB THR 25 HB THR 25 -2.094 -11.277 3.233 210 HG1 THR 25 1HG THR 25 -2.997 -11.271 1.225 211 HG21 THR 25 3HG2 THR 25 -0.298 -9.996 1.187 212 HG22 THR 25 1HG2 THR 25 -0.254 -9.657 2.917 213 HG23 THR 25 2HG2 THR 25 -1.701 -9.279 1.984 214 H ALA 26 H ALA 26 -0.533 -12.193 0.226 215 HA ALA 26 HA ALA 26 2.022 -12.945 -0.620 216 HB1 ALA 26 1HB ALA 26 -0.339 -12.464 -1.833 217 HB2 ALA 26 2HB ALA 26 1.193 -12.637 -2.693 218 HB3 ALA 26 3HB ALA 26 0.568 -11.029 -2.315 219 H GLU 27 H GLU 27 3.565 -11.835 0.620 220 HA GLU 27 HA GLU 27 3.722 -9.116 1.075 221 HB2 GLU 27 2HB GLU 27 6.203 -9.485 1.271 222 HB3 GLU 27 1HB GLU 27 5.209 -10.568 2.229 223 HG2 GLU 27 2HG GLU 27 6.180 -12.310 1.285 224 HG3 GLU 27 1HG GLU 27 5.638 -11.775 -0.302 225 H LYS 28 H LYS 28 4.453 -10.902 -1.823 226 HA LYS 28 HA LYS 28 6.117 -9.300 -3.252 227 HB2 LYS 28 2HB LYS 28 3.626 -10.693 -4.247 228 HB3 LYS 28 1HB LYS 28 4.885 -10.044 -5.289 229 HG2 LYS 28 2HG LYS 28 6.176 -11.832 -5.007 230 HG3 LYS 28 1HG LYS 28 5.959 -11.814 -3.256 231 HD2 LYS 28 2HD LYS 28 4.536 -13.521 -3.372 232 HD3 LYS 28 1HD LYS 28 3.522 -12.646 -4.520 233 HE2 LYS 28 2HE LYS 28 4.931 -13.413 -6.360 234 HE3 LYS 28 1HE LYS 28 5.971 -14.262 -5.219 235 HZ1 LYS 28 3HZ LYS 28 3.337 -14.982 -6.219 236 HZ2 LYS 28 1HZ LYS 28 3.623 -15.309 -4.585 237 HZ3 LYS 28 2HZ LYS 28 4.632 -15.971 -5.771 238 H TYR 29 H TYR 29 2.708 -8.712 -2.552 239 HA TYR 29 HA TYR 29 2.394 -6.550 -4.342 240 HB2 TYR 29 2HB TYR 29 0.800 -7.890 -2.409 241 HB3 TYR 29 1HB TYR 29 0.724 -6.161 -2.060 242 HD1 TYR 29 1HD TYR 29 0.034 -4.611 -3.970 243 HD2 TYR 29 2HD TYR 29 -0.379 -8.835 -4.129 244 HE1 TYR 29 1HE TYR 29 -1.604 -4.380 -5.785 245 HE2 TYR 29 2HE TYR 29 -2.007 -8.621 -5.930 246 HH TYR 29 HH TYR 29 -3.682 -6.687 -6.695 247 H ILE 30 H ILE 30 3.516 -6.778 -1.005 248 HA ILE 30 HA ILE 30 3.647 -4.030 -0.421 249 HB ILE 30 HB ILE 30 5.661 -6.033 0.576 250 HG12 ILE 30 2HG1 ILE 30 3.739 -7.243 1.036 251 HG13 ILE 30 1HG1 ILE 30 3.887 -6.268 2.492 252 HG21 ILE 30 1HG2 ILE 30 5.891 -4.642 2.431 253 HG22 ILE 30 2HG2 ILE 30 4.364 -3.815 2.120 254 HG23 ILE 30 3HG2 ILE 30 5.757 -3.518 1.078 255 HD11 ILE 30 3HD1 ILE 30 1.956 -5.221 2.111 256 HD12 ILE 30 1HD1 ILE 30 1.637 -6.535 0.979 257 HD13 ILE 30 2HD1 ILE 30 2.291 -5.010 0.394 258 H LYS 31 H LYS 31 5.686 -6.172 -2.240 259 HA LYS 31 HA LYS 31 7.938 -4.467 -2.475 260 HB2 LYS 31 2HB LYS 31 8.045 -6.867 -3.017 261 HB3 LYS 31 1HB LYS 31 6.928 -6.615 -4.358 262 HG2 LYS 31 2HG LYS 31 9.362 -4.957 -4.384 263 HG3 LYS 31 1HG LYS 31 9.595 -6.688 -4.628 264 HD2 LYS 31 2HD LYS 31 8.440 -6.705 -6.606 265 HD3 LYS 31 1HD LYS 31 7.435 -5.325 -6.153 266 HE2 LYS 31 2HE LYS 31 9.677 -4.009 -6.270 267 HE3 LYS 31 1HE LYS 31 10.211 -5.372 -7.253 268 HZ1 LYS 31 3HZ LYS 31 8.420 -4.967 -8.781 269 HZ2 LYS 31 1HZ LYS 31 9.297 -3.531 -8.576 270 HZ3 LYS 31 2HZ LYS 31 7.802 -3.732 -7.812 271 H LEU 32 H LEU 32 4.854 -4.723 -4.053 272 HA LEU 32 HA LEU 32 5.479 -2.886 -6.188 273 HB2 LEU 32 2HB LEU 32 3.556 -4.819 -5.813 274 HB3 LEU 32 1HB LEU 32 2.640 -3.340 -5.549 275 HG LEU 32 HG LEU 32 4.326 -3.789 -8.010 276 HD11 LEU 32 1HD1 LEU 32 2.674 -4.901 -9.063 277 HD12 LEU 32 2HD1 LEU 32 1.398 -4.047 -8.197 278 HD13 LEU 32 3HD1 LEU 32 2.244 -5.388 -7.423 279 HD21 LEU 32 3HD2 LEU 32 3.258 -1.499 -7.042 280 HD22 LEU 32 1HD2 LEU 32 1.929 -2.086 -8.041 281 HD23 LEU 32 2HD2 LEU 32 3.519 -1.825 -8.756 282 H ILE 33 H ILE 33 3.920 -2.792 -3.036 283 HA ILE 33 HA ILE 33 2.917 -0.132 -3.322 284 HB ILE 33 HB ILE 33 2.060 -0.306 -1.191 285 HG12 ILE 33 2HG1 ILE 33 3.178 -2.235 0.344 286 HG13 ILE 33 1HG1 ILE 33 4.584 -1.726 -0.580 287 HG21 ILE 33 1HG2 ILE 33 2.348 -3.240 -1.478 288 HG22 ILE 33 2HG2 ILE 33 1.598 -2.346 -2.799 289 HG23 ILE 33 3HG2 ILE 33 0.913 -2.261 -1.176 290 HD11 ILE 33 3HD1 ILE 33 2.880 -0.089 1.260 291 HD12 ILE 33 1HD1 ILE 33 4.006 0.636 0.113 292 HD13 ILE 33 2HD1 ILE 33 4.605 -0.440 1.376 293 H ALA 34 H ALA 34 5.912 -1.523 -2.208 294 HA ALA 34 HA ALA 34 6.956 0.552 -0.693 295 HB1 ALA 34 1HB ALA 34 7.898 -1.839 -1.503 296 HB2 ALA 34 2HB ALA 34 8.902 -0.586 -0.772 297 HB3 ALA 34 3HB ALA 34 8.853 -0.766 -2.526 298 H ASN 35 H ASN 35 6.417 0.359 -4.108 299 HA ASN 35 HA ASN 35 7.974 2.800 -4.567 300 HB2 ASN 35 2HB ASN 35 7.645 0.450 -6.077 301 HB3 ASN 35 1HB ASN 35 6.772 1.708 -6.957 302 HD21 ASN 35 1HD2 ASN 35 8.410 3.886 -6.176 303 HD22 ASN 35 2HD2 ASN 35 9.928 3.706 -6.967 304 H ALA 36 H ALA 36 4.889 1.955 -3.767 305 HA ALA 36 HA ALA 36 3.102 3.188 -5.381 306 HB1 ALA 36 1HB ALA 36 2.751 2.035 -3.111 307 HB2 ALA 36 2HB ALA 36 1.645 3.328 -3.575 308 HB3 ALA 36 3HB ALA 36 2.947 3.648 -2.428 309 H LYS 37 H LYS 37 2.899 5.145 -6.230 310 HA LYS 37 HA LYS 37 4.348 7.376 -5.001 311 HB2 LYS 37 2HB LYS 37 4.216 8.505 -7.101 312 HB3 LYS 37 1HB LYS 37 4.707 6.845 -7.432 313 HG2 LYS 37 2HG LYS 37 1.805 7.360 -7.544 314 HG3 LYS 37 1HG LYS 37 2.778 8.161 -8.777 315 HD2 LYS 37 2HD LYS 37 2.987 5.218 -8.171 316 HD3 LYS 37 1HD LYS 37 1.899 5.878 -9.393 317 HE2 LYS 37 2HE LYS 37 3.672 5.516 -10.747 318 HE3 LYS 37 1HE LYS 37 4.180 7.086 -10.124 319 HZ1 LYS 37 3HZ LYS 37 5.843 6.174 -8.941 320 HZ2 LYS 37 1HZ LYS 37 5.704 4.909 -10.055 321 HZ3 LYS 37 2HZ LYS 37 4.966 4.784 -8.540 322 H THR 38 H THR 38 1.783 6.296 -4.004 323 HA THR 38 HA THR 38 0.470 8.805 -3.582 324 HB THR 38 HB THR 38 -1.442 6.811 -4.651 325 HG1 THR 38 1HG THR 38 -0.285 6.612 -6.405 326 HG21 THR 38 3HG2 THR 38 -2.455 8.813 -4.066 327 HG22 THR 38 1HG2 THR 38 -2.265 8.936 -5.816 328 HG23 THR 38 2HG2 THR 38 -1.150 9.786 -4.745 329 H VAL 39 H VAL 39 -0.489 8.810 -1.628 330 HA VAL 39 HA VAL 39 -0.109 6.758 0.202 331 HB VAL 39 HB VAL 39 -2.369 8.740 0.423 332 HG11 VAL 39 1HG1 VAL 39 -0.664 8.065 2.722 333 HG12 VAL 39 2HG1 VAL 39 -1.653 6.746 2.097 334 HG13 VAL 39 3HG1 VAL 39 -2.415 8.249 2.619 335 HG21 VAL 39 3HG2 VAL 39 -0.368 9.983 1.711 336 HG22 VAL 39 1HG2 VAL 39 -0.770 10.293 0.021 337 HG23 VAL 39 2HG2 VAL 39 0.549 9.196 0.424 338 H GLU 40 H GLU 40 -2.960 7.506 -1.758 339 HA GLU 40 HA GLU 40 -4.622 5.499 -0.638 340 HB2 GLU 40 2HB GLU 40 -4.823 7.518 -2.658 341 HB3 GLU 40 1HB GLU 40 -5.404 5.998 -3.325 342 HG2 GLU 40 2HG GLU 40 -7.245 7.197 -2.378 343 HG3 GLU 40 1HG GLU 40 -6.922 5.770 -1.394 344 H GLY 41 H GLY 41 -2.499 5.602 -3.466 345 HA2 GLY 41 2HA GLY 41 -3.151 3.141 -4.605 346 HA3 GLY 41 1HA GLY 41 -1.587 3.928 -4.741 347 H VAL 42 H VAL 42 -1.207 3.862 -1.806 348 HA VAL 42 HA VAL 42 -0.032 1.234 -1.694 349 HB VAL 42 HB VAL 42 -0.028 2.871 0.775 350 HG11 VAL 42 1HG1 VAL 42 2.288 1.716 -0.767 351 HG12 VAL 42 2HG1 VAL 42 1.310 0.770 0.364 352 HG13 VAL 42 3HG1 VAL 42 2.224 2.163 0.939 353 HG21 VAL 42 3HG2 VAL 42 0.880 3.957 -1.824 354 HG22 VAL 42 1HG2 VAL 42 1.959 4.176 -0.448 355 HG23 VAL 42 2HG2 VAL 42 0.308 4.794 -0.382 356 H TRP 43 H TRP 43 -2.557 2.996 0.073 357 HA TRP 43 HA TRP 43 -3.195 1.008 1.932 358 HB2 TRP 43 2HB TRP 43 -4.994 3.077 0.666 359 HB3 TRP 43 1HB TRP 43 -5.418 2.121 2.074 360 HD1 TRP 43 HD TRP 43 -4.531 5.464 1.451 361 HE1 TRP 43 1HE TRP 43 -3.220 6.541 3.388 362 HE3 TRP 43 3HE TRP 43 -3.097 1.232 3.885 363 HZ2 TRP 43 2HZ TRP 43 -1.762 5.696 5.656 364 HZ3 TRP 43 3HZ TRP 43 -1.742 1.439 5.938 365 HH2 TRP 43 HH TRP 43 -1.091 3.629 6.802 366 H THR 44 H THR 44 -4.144 1.443 -1.414 367 HA THR 44 HA THR 44 -6.186 -0.555 -1.393 368 HB THR 44 HB THR 44 -4.696 0.490 -3.803 369 HG1 THR 44 1HG THR 44 -5.433 2.333 -3.044 370 HG21 THR 44 3HG2 THR 44 -7.541 0.146 -4.078 371 HG22 THR 44 1HG2 THR 44 -6.755 -1.362 -3.613 372 HG23 THR 44 2HG2 THR 44 -6.224 -0.502 -5.057 373 H LEU 45 H LEU 45 -2.822 -0.479 -2.550 374 HA LEU 45 HA LEU 45 -2.651 -2.992 -3.667 375 HB2 LEU 45 2HB LEU 45 -0.567 -1.465 -2.113 376 HB3 LEU 45 1HB LEU 45 -0.231 -2.921 -3.032 377 HD11 LEU 45 1HD2 LEU 45 1.476 -1.115 -4.376 378 HD12 LEU 45 2HD2 LEU 45 0.781 -0.046 -3.156 379 HD13 LEU 45 3HD2 LEU 45 0.646 0.362 -4.868 380 HD21 LEU 45 3HD1 LEU 45 -0.109 -2.972 -5.313 381 HD22 LEU 45 1HD1 LEU 45 -0.301 -1.532 -6.313 382 HD23 LEU 45 2HD1 LEU 45 -1.723 -2.362 -5.681 383 H LYS 46 H LYS 46 -2.015 -2.173 -0.231 384 HA LYS 46 HA LYS 46 -1.526 -4.830 0.587 385 HB2 LYS 46 2HB LYS 46 -1.866 -4.002 2.865 386 HB3 LYS 46 1HB LYS 46 -0.853 -2.905 1.936 387 HG2 LYS 46 2HG LYS 46 -2.794 -1.442 1.578 388 HG3 LYS 46 1HG LYS 46 -3.777 -2.533 2.557 389 HD2 LYS 46 2HD LYS 46 -1.453 -1.923 4.052 390 HD3 LYS 46 1HD LYS 46 -2.073 -0.404 3.404 391 HE2 LYS 46 2HE LYS 46 -4.305 -0.982 4.302 392 HE3 LYS 46 1HE LYS 46 -3.611 -2.434 5.019 393 HZ1 LYS 46 3HZ LYS 46 -3.437 0.318 5.888 394 HZ2 LYS 46 1HZ LYS 46 -1.977 -0.532 5.958 395 HZ3 LYS 46 2HZ LYS 46 -3.332 -1.110 6.786 396 H ASP 47 H ASP 47 -4.461 -2.829 0.717 397 HA ASP 47 HA ASP 47 -6.129 -4.772 1.878 398 HB2 ASP 47 2HB ASP 47 -6.415 -2.148 1.329 399 HB3 ASP 47 1HB ASP 47 -7.363 -2.833 0.012 400 H GLU 48 H GLU 48 -4.995 -4.301 -1.343 401 HA GLU 48 HA GLU 48 -7.028 -5.744 -2.703 402 HB2 GLU 48 2HB GLU 48 -4.395 -4.581 -3.372 403 HB3 GLU 48 1HB GLU 48 -4.897 -5.943 -4.366 404 HG2 GLU 48 2HG GLU 48 -7.160 -4.479 -4.378 405 HG3 GLU 48 1HG GLU 48 -5.952 -3.204 -4.233 406 H ILE 49 H ILE 49 -4.066 -6.650 -1.072 407 HA ILE 49 HA ILE 49 -4.035 -9.299 -2.205 408 HB ILE 49 HB ILE 49 -2.582 -8.683 0.333 409 HG12 ILE 49 2HG1 ILE 49 -1.092 -8.081 -2.123 410 HG13 ILE 49 1HG1 ILE 49 -2.360 -6.920 -1.761 411 HG21 ILE 49 1HG2 ILE 49 -2.571 -10.935 -0.701 412 HG22 ILE 49 2HG2 ILE 49 -0.965 -10.220 -0.578 413 HG23 ILE 49 3HG2 ILE 49 -1.803 -10.241 -2.128 414 HD11 ILE 49 3HD1 ILE 49 -0.594 -5.993 -0.654 415 HD12 ILE 49 1HD1 ILE 49 0.120 -7.553 -0.259 416 HD13 ILE 49 2HD1 ILE 49 -1.290 -6.979 0.629 417 H LYS 50 H LYS 50 -5.177 -7.789 0.772 418 HA LYS 50 HA LYS 50 -5.747 -10.200 2.146 419 HB2 LYS 50 2HB LYS 50 -6.602 -7.363 2.441 420 HB3 LYS 50 1HB LYS 50 -7.519 -8.596 3.288 421 HG2 LYS 50 2HG LYS 50 -6.031 -8.367 4.922 422 HG3 LYS 50 1HG LYS 50 -4.922 -9.258 3.878 423 HD2 LYS 50 2HD LYS 50 -3.755 -7.316 4.530 424 HD3 LYS 50 1HD LYS 50 -4.293 -7.011 2.877 425 HE2 LYS 50 2HE LYS 50 -6.110 -5.651 3.656 426 HE3 LYS 50 1HE LYS 50 -5.772 -6.083 5.333 427 HZ1 LYS 50 3HZ LYS 50 -4.124 -4.406 3.531 428 HZ2 LYS 50 1HZ LYS 50 -3.549 -5.008 5.003 429 HZ3 LYS 50 2HZ LYS 50 -4.869 -3.951 4.979 430 H THR 51 H THR 51 -7.442 -8.385 -0.290 431 HA THR 51 HA THR 51 -9.860 -9.979 0.031 432 HB THR 51 HB THR 51 -10.389 -8.509 -2.148 433 HG1 THR 51 1HG THR 51 -8.617 -6.855 -0.689 434 HG21 THR 51 3HG2 THR 51 -10.491 -7.593 0.708 435 HG22 THR 51 1HG2 THR 51 -11.783 -8.303 -0.260 436 HG23 THR 51 2HG2 THR 51 -11.197 -6.681 -0.627 437 H PHE 52 H PHE 52 -7.024 -9.786 -1.947 438 HA PHE 52 HA PHE 52 -8.125 -11.796 -3.790 439 HB2 PHE 52 2HB PHE 52 -7.159 -9.598 -4.684 440 HB3 PHE 52 1HB PHE 52 -5.586 -10.227 -4.208 441 HD1 PHE 52 2HD PHE 52 -8.508 -10.840 -6.385 442 HD2 PHE 52 1HD PHE 52 -4.448 -11.795 -5.543 443 HE1 PHE 52 2HE PHE 52 -8.351 -12.045 -8.523 444 HE2 PHE 52 1HE PHE 52 -4.283 -13.001 -7.680 445 HZ PHE 52 HZ PHE 52 -6.238 -13.127 -9.173 446 H THR 53 H THR 53 -7.029 -12.227 -1.043 447 HA THR 53 HA THR 53 -4.487 -13.294 -0.991 448 HB THR 53 HB THR 53 -5.376 -14.803 0.832 449 HG1 THR 53 1HG THR 53 -7.805 -13.432 0.345 450 HG21 THR 53 3HG2 THR 53 -5.844 -13.076 2.404 451 HG22 THR 53 1HG2 THR 53 -6.275 -11.951 1.119 452 HG23 THR 53 2HG2 THR 53 -4.605 -12.488 1.295 453 H VAL 54 H VAL 54 -7.315 -15.444 -1.030 454 HA VAL 54 HA VAL 54 -5.755 -17.385 -2.560 455 HB VAL 54 HB VAL 54 -6.887 -18.179 -0.531 456 HG11 VAL 54 1HG1 VAL 54 -9.411 -18.424 -0.662 457 HG12 VAL 54 2HG1 VAL 54 -9.355 -17.233 -1.961 458 HG13 VAL 54 3HG1 VAL 54 -8.789 -16.805 -0.346 459 HG21 VAL 54 3HG2 VAL 54 -6.540 -19.617 -2.600 460 HG22 VAL 54 1HG2 VAL 54 -8.262 -19.396 -2.911 461 HG23 VAL 54 2HG2 VAL 54 -7.727 -20.184 -1.429 462 H THR 55 H THR 55 -6.478 -18.311 -4.485 463 HA THR 55 HA THR 55 -8.413 -16.665 -5.959 464 HB THR 55 HB THR 55 -6.320 -18.569 -7.029 465 HG1 THR 55 1HG THR 55 -6.336 -15.750 -6.762 466 HG21 THR 55 3HG2 THR 55 -7.311 -18.366 -8.989 467 HG22 THR 55 1HG2 THR 55 -6.991 -16.631 -8.932 468 HG23 THR 55 2HG2 THR 55 -8.516 -17.269 -8.316 469 H GLU 56 H GLU 56 -7.757 -19.884 -4.830 470 HA GLU 56 HA GLU 56 -9.437 -21.379 -6.477 471 HB2 GLU 56 2HB GLU 56 -8.872 -21.820 -3.541 472 HB3 GLU 56 1HB GLU 56 -9.488 -23.019 -4.668 473 HG2 GLU 56 2HG GLU 56 -7.450 -23.137 -5.823 474 HG3 GLU 56 1HG GLU 56 -6.855 -21.649 -5.088 Start of MODEL 10 1 H1 THR 1 1HT THR 1 16.675 19.788 -9.464 2 H2 THR 1 2HT THR 1 16.314 18.833 -8.087 3 H3 THR 1 3HT THR 1 15.198 20.021 -8.630 4 HA THR 1 HA THR 1 14.657 18.842 -10.507 5 HB THR 1 HB THR 1 15.883 16.707 -11.037 6 HG1 THR 1 1HG THR 1 17.417 16.057 -9.777 7 HG21 THR 1 1HG2 THR 1 16.828 19.382 -11.431 8 HG22 THR 1 2HG2 THR 1 16.906 17.995 -12.513 9 HG23 THR 1 3HG2 THR 1 18.181 18.248 -11.325 10 H THR 2 H THR 2 15.925 16.889 -7.806 11 HA THR 2 HA THR 2 13.594 15.222 -7.735 12 HB THR 2 HB THR 2 15.703 14.255 -7.094 13 HG1 THR 2 1HG THR 2 13.808 13.607 -5.897 14 HG21 THR 2 3HG2 THR 2 16.160 15.464 -4.549 15 HG22 THR 2 1HG2 THR 2 16.200 16.695 -5.813 16 HG23 THR 2 2HG2 THR 2 17.256 15.286 -5.924 17 H TYR 3 H TYR 3 11.803 16.478 -7.335 18 HA TYR 3 HA TYR 3 11.764 18.162 -4.963 19 HB2 TYR 3 2HB TYR 3 10.732 18.741 -7.284 20 HB3 TYR 3 1HB TYR 3 9.399 17.714 -6.756 21 HD1 TYR 3 1HD TYR 3 8.320 18.296 -4.484 22 HD2 TYR 3 2HD TYR 3 10.770 20.987 -6.678 23 HE1 TYR 3 1HE TYR 3 7.342 20.184 -3.250 24 HE2 TYR 3 2HE TYR 3 9.801 22.885 -5.444 25 HH TYR 3 HH TYR 3 7.518 23.291 -4.200 26 H LYS 4 H LYS 4 10.292 15.225 -6.223 27 HA LYS 4 HA LYS 4 9.016 13.603 -5.274 28 HB2 LYS 4 2HB LYS 4 11.024 14.396 -3.280 29 HB3 LYS 4 1HB LYS 4 9.633 13.557 -2.607 30 HG2 LYS 4 2HG LYS 4 11.273 12.506 -4.898 31 HG3 LYS 4 1HG LYS 4 11.558 12.092 -3.206 32 HD2 LYS 4 2HD LYS 4 10.092 10.435 -3.465 33 HD3 LYS 4 1HD LYS 4 8.834 11.668 -3.584 34 HE2 LYS 4 2HE LYS 4 8.624 10.243 -5.481 35 HE3 LYS 4 1HE LYS 4 9.290 11.777 -6.037 36 HZ1 LYS 4 3HZ LYS 4 11.446 10.818 -6.164 37 HZ2 LYS 4 1HZ LYS 4 10.388 9.780 -6.978 38 HZ3 LYS 4 2HZ LYS 4 10.940 9.385 -5.430 39 H LEU 5 H LEU 5 7.695 13.186 -3.024 40 HA LEU 5 HA LEU 5 6.388 15.371 -1.847 41 HB2 LEU 5 2HB LEU 5 5.611 14.986 -4.480 42 HB3 LEU 5 1HB LEU 5 4.348 14.187 -3.558 43 HG LEU 5 HG LEU 5 3.712 16.476 -4.031 44 HD11 LEU 5 1HD1 LEU 5 2.768 16.771 -2.022 45 HD12 LEU 5 2HD1 LEU 5 4.322 16.796 -1.185 46 HD13 LEU 5 3HD1 LEU 5 3.573 15.257 -1.608 47 HD21 LEU 5 3HD2 LEU 5 6.311 17.165 -2.677 48 HD22 LEU 5 1HD2 LEU 5 5.017 18.332 -2.951 49 HD23 LEU 5 2HD2 LEU 5 5.809 17.556 -4.321 50 H ILE 6 H ILE 6 6.655 14.046 -0.042 51 HA ILE 6 HA ILE 6 5.252 11.485 0.006 52 HB ILE 6 HB ILE 6 6.940 12.686 2.190 53 HG12 ILE 6 2HG1 ILE 6 8.155 10.498 0.721 54 HG13 ILE 6 1HG1 ILE 6 7.824 11.872 -0.330 55 HG21 ILE 6 1HG2 ILE 6 7.118 10.335 2.933 56 HG22 ILE 6 2HG2 ILE 6 5.981 9.882 1.667 57 HG23 ILE 6 3HG2 ILE 6 5.467 10.951 2.972 58 HD11 ILE 6 3HD1 ILE 6 9.419 11.932 2.218 59 HD12 ILE 6 1HD1 ILE 6 9.072 13.318 1.183 60 HD13 ILE 6 2HD1 ILE 6 10.062 11.992 0.578 61 H LEU 7 H LEU 7 3.108 12.302 0.020 62 HA LEU 7 HA LEU 7 2.142 14.150 1.925 63 HB2 LEU 7 2HB LEU 7 1.032 12.392 -0.121 64 HB3 LEU 7 1HB LEU 7 -0.015 12.532 1.278 65 HG LEU 7 HG LEU 7 -0.658 14.172 -0.365 66 HD11 LEU 7 1HD1 LEU 7 0.747 15.914 1.564 67 HD12 LEU 7 2HD1 LEU 7 -0.316 14.676 2.233 68 HD13 LEU 7 3HD1 LEU 7 -0.954 15.869 1.101 69 HD21 LEU 7 3HD2 LEU 7 1.842 15.721 -0.169 70 HD22 LEU 7 1HD2 LEU 7 0.746 15.496 -1.533 71 HD23 LEU 7 2HD2 LEU 7 1.920 14.243 -1.128 72 H ASN 8 H ASN 8 1.252 10.711 1.764 73 HA ASN 8 HA ASN 8 1.805 10.405 4.609 74 HB2 ASN 8 2HB ASN 8 -0.907 10.411 3.387 75 HB3 ASN 8 1HB ASN 8 -0.581 9.185 4.607 76 HD21 ASN 8 1HD2 ASN 8 -2.434 11.337 4.805 77 HD22 ASN 8 2HD2 ASN 8 -1.932 12.329 6.128 78 H LEU 9 H LEU 9 3.383 9.273 2.875 79 HA LEU 9 HA LEU 9 2.429 6.622 2.146 80 HB2 LEU 9 2HB LEU 9 4.915 8.196 1.601 81 HB3 LEU 9 1HB LEU 9 4.960 6.442 1.457 82 HG LEU 9 HG LEU 9 2.709 7.115 0.009 83 HD11 LEU 9 1HD1 LEU 9 3.039 9.003 -1.246 84 HD12 LEU 9 2HD1 LEU 9 4.782 9.013 -0.974 85 HD13 LEU 9 3HD1 LEU 9 3.685 9.522 0.312 86 HD21 LEU 9 3HD2 LEU 9 5.266 7.017 -1.464 87 HD22 LEU 9 1HD2 LEU 9 3.797 6.064 -1.669 88 HD23 LEU 9 2HD2 LEU 9 4.932 5.667 -0.378 89 H LYS 10 H LYS 10 4.802 8.154 4.223 90 HA LYS 10 HA LYS 10 6.104 6.067 5.385 91 HB2 LYS 10 2HB LYS 10 5.553 8.794 5.975 92 HB3 LYS 10 1HB LYS 10 5.361 7.875 7.466 93 HG2 LYS 10 2HG LYS 10 7.580 8.362 7.592 94 HG3 LYS 10 1HG LYS 10 7.660 6.826 6.721 95 HD2 LYS 10 2HD LYS 10 8.275 7.814 4.761 96 HD3 LYS 10 1HD LYS 10 7.386 9.297 5.103 97 HE2 LYS 10 2HE LYS 10 9.475 9.010 7.027 98 HE3 LYS 10 1HE LYS 10 10.156 8.789 5.416 99 HZ1 LYS 10 3HZ LYS 10 8.970 10.899 4.805 100 HZ2 LYS 10 1HZ LYS 10 10.261 11.078 5.880 101 HZ3 LYS 10 2HZ LYS 10 8.672 11.135 6.454 102 H GLN 11 H GLN 11 2.847 7.186 6.006 103 HA GLN 11 HA GLN 11 2.356 5.427 8.212 104 HB2 GLN 11 2HB GLN 11 1.143 7.507 8.067 105 HB3 GLN 11 1HB GLN 11 0.533 7.091 6.470 106 HG2 GLN 11 2HG GLN 11 -1.298 6.428 7.550 107 HG3 GLN 11 1HG GLN 11 -0.362 4.998 7.980 108 HE21 GLN 11 1HE2 GLN 11 -2.234 5.358 9.666 109 HE22 GLN 11 2HE2 GLN 11 -1.726 6.134 11.125 110 H ALA 12 H ALA 12 1.696 5.417 4.750 111 HA ALA 12 HA ALA 12 0.105 3.050 4.774 112 HB1 ALA 12 1HB ALA 12 -0.069 3.307 2.499 113 HB2 ALA 12 2HB ALA 12 1.574 3.926 2.333 114 HB3 ALA 12 3HB ALA 12 0.304 4.960 2.990 115 H LYS 13 H LYS 13 3.511 3.730 4.061 116 HA LYS 13 HA LYS 13 4.236 1.141 3.253 117 HB2 LYS 13 2HB LYS 13 5.947 3.223 4.626 118 HB3 LYS 13 1HB LYS 13 6.543 1.832 3.733 119 HG2 LYS 13 2HG LYS 13 5.273 2.794 1.736 120 HG3 LYS 13 1HG LYS 13 5.166 4.278 2.686 121 HD2 LYS 13 2HD LYS 13 7.715 2.847 1.931 122 HD3 LYS 13 1HD LYS 13 7.090 4.309 1.166 123 HE2 LYS 13 2HE LYS 13 8.473 5.318 2.644 124 HE3 LYS 13 1HE LYS 13 7.094 5.114 3.722 125 HZ1 LYS 13 3HZ LYS 13 8.331 2.789 4.067 126 HZ2 LYS 13 1HZ LYS 13 8.643 4.153 5.019 127 HZ3 LYS 13 2HZ LYS 13 9.668 3.768 3.729 128 H GLU 14 H GLU 14 4.442 2.701 6.439 129 HA GLU 14 HA GLU 14 5.506 0.472 7.799 130 HB2 GLU 14 2HB GLU 14 3.922 2.844 8.804 131 HB3 GLU 14 1HB GLU 14 4.547 1.596 9.870 132 HG2 GLU 14 2HG GLU 14 6.811 2.100 9.204 133 HG3 GLU 14 1HG GLU 14 6.234 3.298 8.049 134 H GLU 15 H GLU 15 2.223 1.417 7.021 135 HA GLU 15 HA GLU 15 1.020 -0.616 8.661 136 HB2 GLU 15 2HB GLU 15 0.010 1.382 6.672 137 HB3 GLU 15 1HB GLU 15 -1.029 0.054 7.171 138 HG2 GLU 15 2HG GLU 15 -0.037 1.058 9.550 139 HG3 GLU 15 1HG GLU 15 -0.334 2.491 8.565 140 H ALA 16 H ALA 16 1.920 -0.243 5.285 141 HA ALA 16 HA ALA 16 0.568 -2.407 4.176 142 HB1 ALA 16 1HB ALA 16 1.691 -0.774 2.793 143 HB2 ALA 16 2HB ALA 16 2.324 -2.380 2.437 144 HB3 ALA 16 3HB ALA 16 3.259 -1.265 3.434 145 H ILE 17 H ILE 17 3.828 -2.294 5.590 146 HA ILE 17 HA ILE 17 4.322 -5.072 5.259 147 HB ILE 17 HB ILE 17 6.212 -3.597 5.463 148 HG12 ILE 17 2HG1 ILE 17 7.529 -4.808 7.095 149 HG13 ILE 17 1HG1 ILE 17 6.087 -5.219 8.022 150 HG21 ILE 17 1HG2 ILE 17 5.761 -3.013 8.336 151 HG22 ILE 17 2HG2 ILE 17 4.796 -2.115 7.167 152 HG23 ILE 17 3HG2 ILE 17 6.555 -2.048 7.093 153 HD11 ILE 17 3HD1 ILE 17 5.295 -6.568 6.121 154 HD12 ILE 17 1HD1 ILE 17 6.817 -7.137 6.801 155 HD13 ILE 17 2HD1 ILE 17 6.816 -6.233 5.289 156 H LYS 18 H LYS 18 3.364 -3.105 8.027 157 HA LYS 18 HA LYS 18 3.258 -5.038 10.001 158 HB2 LYS 18 2HB LYS 18 3.025 -2.633 10.441 159 HB3 LYS 18 1HB LYS 18 1.452 -2.639 9.655 160 HG2 LYS 18 2HG LYS 18 0.479 -3.910 11.375 161 HG3 LYS 18 1HG LYS 18 2.051 -4.349 12.046 162 HD2 LYS 18 2HD LYS 18 2.435 -2.086 12.768 163 HD3 LYS 18 1HD LYS 18 0.970 -1.536 11.952 164 HE2 LYS 18 2HE LYS 18 0.329 -1.709 14.186 165 HE3 LYS 18 1HE LYS 18 -0.260 -3.205 13.462 166 HZ1 LYS 18 3HZ LYS 18 1.106 -4.431 14.713 167 HZ2 LYS 18 1HZ LYS 18 1.248 -3.057 15.689 168 HZ3 LYS 18 2HZ LYS 18 2.419 -3.383 14.512 169 H GLU 19 H GLU 19 0.680 -3.976 7.782 170 HA GLU 19 HA GLU 19 -1.309 -5.698 8.723 171 HB2 GLU 19 2HB GLU 19 -0.856 -4.701 5.897 172 HB3 GLU 19 1HB GLU 19 -2.338 -5.448 6.474 173 HG2 GLU 19 2HG GLU 19 -1.590 -3.256 8.173 174 HG3 GLU 19 1HG GLU 19 -1.676 -2.740 6.489 175 H LEU 20 H LEU 20 1.204 -6.156 6.269 176 HA LEU 20 HA LEU 20 0.466 -8.794 5.564 177 HB2 LEU 20 2HB LEU 20 2.372 -6.953 4.769 178 HB3 LEU 20 1HB LEU 20 3.331 -8.239 5.491 179 HG LEU 20 HG LEU 20 1.726 -9.740 3.959 180 HD11 LEU 20 1HD1 LEU 20 1.855 -8.134 1.758 181 HD12 LEU 20 2HD1 LEU 20 1.382 -6.997 3.035 182 HD13 LEU 20 3HD1 LEU 20 0.410 -8.437 2.733 183 HD21 LEU 20 3HD2 LEU 20 4.340 -9.161 3.979 184 HD22 LEU 20 1HD2 LEU 20 3.896 -8.408 2.454 185 HD23 LEU 20 2HD2 LEU 20 3.579 -10.119 2.710 186 H VAL 21 H VAL 21 2.460 -7.350 8.052 187 HA VAL 21 HA VAL 21 3.610 -9.718 9.059 188 HB VAL 21 HB VAL 21 3.071 -7.188 10.626 189 HG11 VAL 21 1HG1 VAL 21 5.327 -8.182 11.655 190 HG12 VAL 21 2HG1 VAL 21 4.553 -9.684 11.157 191 HG13 VAL 21 3HG1 VAL 21 3.725 -8.590 12.267 192 HG21 VAL 21 3HG2 VAL 21 4.846 -7.676 8.411 193 HG22 VAL 21 1HG2 VAL 21 5.773 -7.336 9.873 194 HG23 VAL 21 2HG2 VAL 21 4.568 -6.189 9.306 195 H ASP 22 H ASP 22 0.585 -8.038 9.679 196 HA ASP 22 HA ASP 22 -0.148 -9.556 11.972 197 HB2 ASP 22 2HB ASP 22 -1.497 -7.643 10.139 198 HB3 ASP 22 1HB ASP 22 -2.533 -8.713 11.070 199 H ALA 23 H ALA 23 -0.181 -10.216 8.599 200 HA ALA 23 HA ALA 23 -1.656 -12.698 9.119 201 HB1 ALA 23 1HB ALA 23 -2.617 -12.492 6.806 202 HB2 ALA 23 2HB ALA 23 -2.032 -10.832 6.794 203 HB3 ALA 23 3HB ALA 23 -3.229 -11.338 7.987 204 H GLY 24 H GLY 24 -0.253 -11.437 6.122 205 HA2 GLY 24 2HA GLY 24 2.213 -12.362 5.914 206 HA3 GLY 24 1HA GLY 24 1.319 -13.885 5.875 207 H THR 25 H THR 25 -0.373 -14.062 4.189 208 HA THR 25 HA THR 25 -0.743 -14.269 1.940 209 HB THR 25 HB THR 25 -1.936 -12.159 2.714 210 HG1 THR 25 1HG THR 25 -2.771 -12.458 0.839 211 HG21 THR 25 3HG2 THR 25 -0.105 -10.620 2.929 212 HG22 THR 25 1HG2 THR 25 -1.197 -10.065 1.662 213 HG23 THR 25 2HG2 THR 25 0.329 -10.842 1.233 214 H ALA 26 H ALA 26 -0.112 -12.683 -0.232 215 HA ALA 26 HA ALA 26 2.612 -13.487 -0.705 216 HB1 ALA 26 1HB ALA 26 1.219 -11.845 -2.717 217 HB2 ALA 26 2HB ALA 26 0.449 -13.375 -2.294 218 HB3 ALA 26 3HB ALA 26 2.104 -13.357 -2.902 219 H GLU 27 H GLU 27 4.115 -12.232 0.254 220 HA GLU 27 HA GLU 27 3.904 -9.510 0.812 221 HB2 GLU 27 2HB GLU 27 6.452 -9.605 0.911 222 HB3 GLU 27 1HB GLU 27 5.575 -10.701 1.965 223 HG2 GLU 27 2HG GLU 27 6.424 -12.508 0.973 224 HG3 GLU 27 1HG GLU 27 6.199 -11.850 -0.642 225 H LYS 28 H LYS 28 4.841 -11.154 -2.125 226 HA LYS 28 HA LYS 28 6.277 -9.309 -3.522 227 HB2 LYS 28 2HB LYS 28 5.293 -10.191 -5.559 228 HB3 LYS 28 1HB LYS 28 5.569 -11.500 -4.419 229 HG2 LYS 28 2HG LYS 28 3.017 -10.818 -3.810 230 HG3 LYS 28 1HG LYS 28 3.063 -10.462 -5.538 231 HD2 LYS 28 2HD LYS 28 4.118 -13.057 -4.472 232 HD3 LYS 28 1HD LYS 28 2.393 -12.835 -4.776 233 HE2 LYS 28 2HE LYS 28 3.503 -13.858 -6.693 234 HE3 LYS 28 1HE LYS 28 2.863 -12.267 -7.098 235 HZ1 LYS 28 3HZ LYS 28 5.220 -12.865 -7.855 236 HZ2 LYS 28 1HZ LYS 28 5.670 -12.590 -6.247 237 HZ3 LYS 28 2HZ LYS 28 4.972 -11.345 -7.156 238 H TYR 29 H TYR 29 2.902 -9.160 -2.641 239 HA TYR 29 HA TYR 29 2.255 -6.929 -4.304 240 HB2 TYR 29 2HB TYR 29 0.858 -8.717 -2.591 241 HB3 TYR 29 1HB TYR 29 0.520 -7.077 -2.035 242 HD1 TYR 29 2HD TYR 29 0.095 -5.427 -4.206 243 HD2 TYR 29 1HD TYR 29 -0.643 -9.603 -3.982 244 HE1 TYR 29 2HE TYR 29 -1.566 -5.225 -6.006 245 HE2 TYR 29 1HE TYR 29 -2.294 -9.418 -5.768 246 HH TYR 29 HH TYR 29 -2.581 -7.502 -7.836 247 H ILE 30 H ILE 30 3.051 -7.325 -0.847 248 HA ILE 30 HA ILE 30 2.820 -4.620 -0.154 249 HB ILE 30 HB ILE 30 3.074 -6.592 1.444 250 HG12 ILE 30 2HG1 ILE 30 3.067 -4.255 2.229 251 HG13 ILE 30 1HG1 ILE 30 4.133 -5.264 3.196 252 HG21 ILE 30 1HG2 ILE 30 5.885 -6.369 0.498 253 HG22 ILE 30 2HG2 ILE 30 4.935 -7.793 0.911 254 HG23 ILE 30 3HG2 ILE 30 5.589 -6.769 2.186 255 HD11 ILE 30 3HD1 ILE 30 5.546 -3.550 2.932 256 HD12 ILE 30 1HD1 ILE 30 4.756 -2.983 1.461 257 HD13 ILE 30 2HD1 ILE 30 5.890 -4.333 1.390 258 H LYS 31 H LYS 31 5.402 -6.469 -1.612 259 HA LYS 31 HA LYS 31 7.447 -4.539 -1.412 260 HB2 LYS 31 2HB LYS 31 7.525 -7.060 -2.112 261 HB3 LYS 31 1HB LYS 31 7.237 -6.431 -3.732 262 HG2 LYS 31 2HG LYS 31 9.550 -6.623 -3.589 263 HG3 LYS 31 1HG LYS 31 9.244 -4.910 -3.299 264 HD2 LYS 31 2HD LYS 31 10.796 -5.502 -1.649 265 HD3 LYS 31 1HD LYS 31 9.243 -5.528 -0.810 266 HE2 LYS 31 2HE LYS 31 9.583 -8.099 -1.875 267 HE3 LYS 31 1HE LYS 31 11.148 -7.650 -1.198 268 HZ1 LYS 31 3HZ LYS 31 8.736 -7.166 0.397 269 HZ2 LYS 31 1HZ LYS 31 10.309 -7.529 0.906 270 HZ3 LYS 31 2HZ LYS 31 9.319 -8.748 0.279 271 H LEU 32 H LEU 32 4.765 -5.001 -3.587 272 HA LEU 32 HA LEU 32 5.621 -3.225 -5.628 273 HB2 LEU 32 2HB LEU 32 3.522 -4.991 -5.285 274 HB3 LEU 32 1HB LEU 32 2.722 -3.426 -5.248 275 HG LEU 32 HG LEU 32 4.480 -3.315 -7.439 276 HD11 LEU 32 1HD1 LEU 32 4.797 -5.634 -7.581 277 HD12 LEU 32 2HD1 LEU 32 3.531 -5.278 -8.756 278 HD13 LEU 32 3HD1 LEU 32 3.110 -5.976 -7.192 279 HD21 LEU 32 3HD2 LEU 32 2.096 -2.411 -7.008 280 HD22 LEU 32 1HD2 LEU 32 1.565 -3.951 -7.686 281 HD23 LEU 32 2HD2 LEU 32 2.556 -2.858 -8.650 282 H ILE 33 H ILE 33 3.919 -2.815 -2.591 283 HA ILE 33 HA ILE 33 3.049 -0.149 -3.111 284 HB ILE 33 HB ILE 33 2.169 -0.095 -0.985 285 HG12 ILE 33 2HG1 ILE 33 3.207 -1.989 0.694 286 HG13 ILE 33 1HG1 ILE 33 4.636 -1.511 -0.214 287 HG21 ILE 33 1HG2 ILE 33 1.660 -2.270 -2.426 288 HG22 ILE 33 2HG2 ILE 33 0.908 -1.968 -0.859 289 HG23 ILE 33 3HG2 ILE 33 2.297 -3.046 -0.978 290 HD11 ILE 33 3HD1 ILE 33 4.604 -0.129 1.667 291 HD12 ILE 33 1HD1 ILE 33 2.875 0.183 1.512 292 HD13 ILE 33 2HD1 ILE 33 4.004 0.880 0.351 293 H ALA 34 H ALA 34 5.962 -1.574 -1.841 294 HA ALA 34 HA ALA 34 7.099 0.541 -0.471 295 HB1 ALA 34 1HB ALA 34 8.450 -1.255 -0.268 296 HB2 ALA 34 2HB ALA 34 9.284 -0.517 -1.636 297 HB3 ALA 34 3HB ALA 34 8.126 -1.819 -1.907 298 H ASN 35 H ASN 35 6.620 0.143 -3.890 299 HA ASN 35 HA ASN 35 8.293 2.473 -4.481 300 HB2 ASN 35 2HB ASN 35 8.128 0.150 -5.820 301 HB3 ASN 35 1HB ASN 35 6.860 1.049 -6.659 302 HD21 ASN 35 1HD2 ASN 35 10.196 1.454 -5.520 303 HD22 ASN 35 2HD2 ASN 35 10.742 2.335 -6.901 304 H ALA 36 H ALA 36 5.164 1.876 -3.621 305 HA ALA 36 HA ALA 36 3.549 3.269 -5.365 306 HB1 ALA 36 1HB ALA 36 1.952 3.280 -3.713 307 HB2 ALA 36 2HB ALA 36 3.127 3.586 -2.431 308 HB3 ALA 36 3HB ALA 36 3.013 1.984 -3.158 309 H LYS 37 H LYS 37 3.169 5.359 -5.829 310 HA LYS 37 HA LYS 37 4.867 7.353 -4.490 311 HB2 LYS 37 2HB LYS 37 4.968 7.024 -7.032 312 HB3 LYS 37 1HB LYS 37 3.375 7.783 -7.079 313 HG2 LYS 37 2HG LYS 37 4.699 9.594 -5.608 314 HG3 LYS 37 1HG LYS 37 6.028 8.961 -6.582 315 HD2 LYS 37 2HD LYS 37 4.277 9.272 -8.536 316 HD3 LYS 37 1HD LYS 37 3.597 10.459 -7.421 317 HE2 LYS 37 2HE LYS 37 5.786 11.563 -7.286 318 HE3 LYS 37 1HE LYS 37 6.441 10.388 -8.423 319 HZ1 LYS 37 3HZ LYS 37 5.724 12.597 -9.369 320 HZ2 LYS 37 1HZ LYS 37 4.127 12.108 -9.092 321 HZ3 LYS 37 2HZ LYS 37 5.111 11.226 -10.146 322 H THR 38 H THR 38 1.566 6.518 -5.231 323 HA THR 38 HA THR 38 0.617 8.972 -3.928 324 HB THR 38 HB THR 38 -1.646 7.734 -4.792 325 HG1 THR 38 1HG THR 38 0.323 7.161 -6.746 326 HG21 THR 38 3HG2 THR 38 -0.406 9.154 -6.994 327 HG22 THR 38 1HG2 THR 38 -0.290 10.023 -5.466 328 HG23 THR 38 2HG2 THR 38 -1.867 9.525 -6.079 329 H VAL 39 H VAL 39 -0.640 8.911 -2.095 330 HA VAL 39 HA VAL 39 -0.219 6.896 -0.235 331 HB VAL 39 HB VAL 39 -2.162 7.881 1.017 332 HG11 VAL 39 1HG1 VAL 39 -1.009 10.308 0.861 333 HG12 VAL 39 2HG1 VAL 39 0.235 9.324 0.087 334 HG13 VAL 39 3HG1 VAL 39 -0.301 8.941 1.725 335 HG21 VAL 39 3HG2 VAL 39 -3.717 8.729 -0.401 336 HG22 VAL 39 1HG2 VAL 39 -2.517 9.233 -1.593 337 HG23 VAL 39 2HG2 VAL 39 -2.781 10.201 -0.143 338 H GLU 40 H GLU 40 -3.090 7.449 -2.266 339 HA GLU 40 HA GLU 40 -4.629 5.327 -1.298 340 HB2 GLU 40 2HB GLU 40 -4.862 7.277 -3.307 341 HB3 GLU 40 1HB GLU 40 -5.063 5.735 -4.125 342 HG2 GLU 40 2HG GLU 40 -6.812 5.136 -2.493 343 HG3 GLU 40 1HG GLU 40 -6.646 6.735 -1.770 344 H GLY 41 H GLY 41 -2.387 5.440 -4.057 345 HA2 GLY 41 2HA GLY 41 -2.745 2.868 -5.028 346 HA3 GLY 41 1HA GLY 41 -1.239 3.765 -5.129 347 H VAL 42 H VAL 42 -0.983 3.916 -2.197 348 HA VAL 42 HA VAL 42 0.360 1.395 -1.844 349 HB VAL 42 HB VAL 42 0.071 3.209 0.490 350 HG11 VAL 42 1HG1 VAL 42 1.524 1.165 0.421 351 HG12 VAL 42 2HG1 VAL 42 2.351 2.652 0.878 352 HG13 VAL 42 3HG1 VAL 42 2.541 2.008 -0.753 353 HG21 VAL 42 3HG2 VAL 42 0.454 5.050 -0.755 354 HG22 VAL 42 1HG2 VAL 42 1.083 4.129 -2.120 355 HG23 VAL 42 2HG2 VAL 42 2.119 4.469 -0.735 356 H TRP 43 H TRP 43 -2.209 3.110 -0.058 357 HA TRP 43 HA TRP 43 -2.837 1.013 1.692 358 HB2 TRP 43 2HB TRP 43 -4.612 3.221 0.638 359 HB3 TRP 43 1HB TRP 43 -5.009 2.188 1.998 360 HD1 TRP 43 HD TRP 43 -3.399 5.418 1.205 361 HE1 TRP 43 1HE TRP 43 -2.193 6.354 3.281 362 HE3 TRP 43 3HE TRP 43 -3.507 1.252 4.129 363 HZ2 TRP 43 2HZ TRP 43 -1.396 5.433 5.833 364 HZ3 TRP 43 3HZ TRP 43 -2.505 1.348 6.379 365 HH2 TRP 43 HH TRP 43 -1.471 3.399 7.210 366 H THR 44 H THR 44 -3.685 1.589 -1.623 367 HA THR 44 HA THR 44 -5.903 -0.201 -1.729 368 HB THR 44 HB THR 44 -4.147 0.863 -3.951 369 HG1 THR 44 1HG THR 44 -6.663 1.758 -2.997 370 HG21 THR 44 3HG2 THR 44 -5.464 -1.120 -4.624 371 HG22 THR 44 1HG2 THR 44 -5.922 0.358 -5.470 372 HG23 THR 44 2HG2 THR 44 -6.930 -0.255 -4.159 373 H LEU 45 H LEU 45 -2.485 -0.465 -2.681 374 HA LEU 45 HA LEU 45 -2.590 -3.057 -3.710 375 HB2 LEU 45 2HB LEU 45 -0.320 -1.595 -2.365 376 HB3 LEU 45 1HB LEU 45 -0.139 -3.161 -3.130 377 HD11 LEU 45 1HD2 LEU 45 1.667 -1.865 -4.385 378 HD12 LEU 45 2HD2 LEU 45 1.138 -0.271 -3.846 379 HD13 LEU 45 3HD2 LEU 45 1.169 -0.656 -5.567 380 HD21 LEU 45 3HD1 LEU 45 -0.619 -3.522 -5.311 381 HD22 LEU 45 1HD1 LEU 45 -0.092 -2.297 -6.464 382 HD23 LEU 45 2HD1 LEU 45 -1.779 -2.361 -5.958 383 H LYS 46 H LYS 46 -1.733 -2.049 -0.380 384 HA LYS 46 HA LYS 46 -1.402 -4.646 0.641 385 HB2 LYS 46 2HB LYS 46 -2.075 -3.437 2.871 386 HB3 LYS 46 1HB LYS 46 -0.552 -3.068 2.080 387 HG2 LYS 46 2HG LYS 46 -1.128 -0.946 1.705 388 HG3 LYS 46 1HG LYS 46 -2.758 -1.378 1.188 389 HD2 LYS 46 2HD LYS 46 -2.210 -1.720 4.062 390 HD3 LYS 46 1HD LYS 46 -2.182 -0.054 3.480 391 HE2 LYS 46 2HE LYS 46 -4.403 -0.096 2.857 392 HE3 LYS 46 1HE LYS 46 -4.434 -1.850 2.698 393 HZ1 LYS 46 3HZ LYS 46 -4.774 -0.193 5.075 394 HZ2 LYS 46 1HZ LYS 46 -3.963 -1.664 5.277 395 HZ3 LYS 46 2HZ LYS 46 -5.533 -1.644 4.651 396 H ASP 47 H ASP 47 -4.228 -2.480 0.825 397 HA ASP 47 HA ASP 47 -5.941 -4.330 2.067 398 HB2 ASP 47 2HB ASP 47 -6.366 -1.895 1.995 399 HB3 ASP 47 1HB ASP 47 -6.672 -2.009 0.265 400 H GLU 48 H GLU 48 -4.995 -3.866 -1.242 401 HA GLU 48 HA GLU 48 -7.114 -5.182 -2.529 402 HB2 GLU 48 2HB GLU 48 -4.358 -4.386 -3.216 403 HB3 GLU 48 1HB GLU 48 -4.991 -5.742 -4.139 404 HG2 GLU 48 2HG GLU 48 -6.876 -4.416 -4.863 405 HG3 GLU 48 1HG GLU 48 -6.342 -3.066 -3.862 406 H ILE 49 H ILE 49 -4.204 -6.364 -0.960 407 HA ILE 49 HA ILE 49 -4.550 -9.069 -1.864 408 HB ILE 49 HB ILE 49 -2.921 -8.353 0.547 409 HG12 ILE 49 2HG1 ILE 49 -1.358 -8.285 -1.887 410 HG13 ILE 49 1HG1 ILE 49 -2.612 -7.050 -1.927 411 HG21 ILE 49 1HG2 ILE 49 -1.489 -10.152 -0.290 412 HG22 ILE 49 2HG2 ILE 49 -2.565 -10.360 -1.672 413 HG23 ILE 49 3HG2 ILE 49 -3.149 -10.696 -0.042 414 HD11 ILE 49 3HD1 ILE 49 -0.966 -5.880 -0.903 415 HD12 ILE 49 1HD1 ILE 49 -0.259 -7.311 -0.156 416 HD13 ILE 49 2HD1 ILE 49 -1.722 -6.597 0.520 417 H LYS 50 H LYS 50 -5.414 -7.198 0.982 418 HA LYS 50 HA LYS 50 -6.121 -9.307 2.685 419 HB2 LYS 50 2HB LYS 50 -7.460 -6.604 2.561 420 HB3 LYS 50 1HB LYS 50 -7.392 -7.688 3.942 421 HG2 LYS 50 2HG LYS 50 -5.094 -6.197 2.701 422 HG3 LYS 50 1HG LYS 50 -5.835 -5.899 4.273 423 HD2 LYS 50 2HD LYS 50 -5.147 -8.201 4.950 424 HD3 LYS 50 1HD LYS 50 -4.269 -8.334 3.427 425 HE2 LYS 50 2HE LYS 50 -3.344 -5.959 4.387 426 HE3 LYS 50 1HE LYS 50 -3.596 -6.867 5.877 427 HZ1 LYS 50 3HZ LYS 50 -2.218 -8.222 3.684 428 HZ2 LYS 50 1HZ LYS 50 -1.983 -8.355 5.354 429 HZ3 LYS 50 2HZ LYS 50 -1.363 -7.024 4.515 430 H THR 51 H THR 51 -8.049 -7.520 0.305 431 HA THR 51 HA THR 51 -10.446 -8.987 0.832 432 HB THR 51 HB THR 51 -11.319 -7.861 -1.169 433 HG1 THR 51 1HG THR 51 -8.711 -6.797 -1.469 434 HG21 THR 51 3HG2 THR 51 -11.226 -5.624 -0.454 435 HG22 THR 51 1HG2 THR 51 -9.667 -5.860 0.334 436 HG23 THR 51 2HG2 THR 51 -11.116 -6.608 1.006 437 H PHE 52 H PHE 52 -7.735 -9.344 -1.339 438 HA PHE 52 HA PHE 52 -7.121 -10.990 -2.782 439 HB2 PHE 52 2HB PHE 52 -7.860 -12.299 -0.621 440 HB3 PHE 52 1HB PHE 52 -9.187 -12.831 -1.649 441 HD1 PHE 52 1HD PHE 52 -5.501 -12.764 -1.352 442 HD2 PHE 52 2HD PHE 52 -8.883 -14.524 -3.241 443 HE1 PHE 52 1HE PHE 52 -4.052 -14.503 -2.316 444 HE2 PHE 52 2HE PHE 52 -7.441 -16.268 -4.209 445 HZ PHE 52 HZ PHE 52 -5.022 -16.258 -3.746 446 H THR 53 H THR 53 -9.465 -9.215 -3.368 447 HA THR 53 HA THR 53 -10.590 -10.844 -5.543 448 HB THR 53 HB THR 53 -12.739 -9.687 -5.279 449 HG1 THR 53 1HG THR 53 -12.356 -7.797 -4.333 450 HG21 THR 53 3HG2 THR 53 -13.525 -11.098 -3.743 451 HG22 THR 53 1HG2 THR 53 -12.414 -10.520 -2.502 452 HG23 THR 53 2HG2 THR 53 -11.872 -11.711 -3.684 453 H VAL 54 H VAL 54 -9.491 -10.047 -7.243 454 HA VAL 54 HA VAL 54 -9.943 -7.257 -7.941 455 HB VAL 54 HB VAL 54 -7.791 -7.213 -6.761 456 HG11 VAL 54 1HG1 VAL 54 -6.486 -8.815 -8.902 457 HG12 VAL 54 2HG1 VAL 54 -7.321 -9.668 -7.603 458 HG13 VAL 54 3HG1 VAL 54 -6.003 -8.558 -7.225 459 HG21 VAL 54 3HG2 VAL 54 -6.450 -6.584 -9.048 460 HG22 VAL 54 1HG2 VAL 54 -7.588 -5.521 -8.220 461 HG23 VAL 54 2HG2 VAL 54 -8.127 -6.500 -9.585 462 H THR 55 H THR 55 -11.330 -8.937 -9.244 463 HA THR 55 HA THR 55 -9.875 -9.480 -11.747 464 HB THR 55 HB THR 55 -12.193 -11.121 -10.724 465 HG1 THR 55 1HG THR 55 -10.637 -12.638 -10.104 466 HG21 THR 55 3HG2 THR 55 -10.113 -11.927 -12.724 467 HG22 THR 55 1HG2 THR 55 -11.623 -11.148 -13.188 468 HG23 THR 55 2HG2 THR 55 -11.653 -12.704 -12.362 469 H GLU 56 H GLU 56 -13.041 -8.821 -10.291 470 HA GLU 56 HA GLU 56 -14.387 -8.276 -12.711 471 HB2 GLU 56 2HB GLU 56 -14.950 -7.407 -9.876 472 HB3 GLU 56 1HB GLU 56 -16.037 -7.092 -11.220 473 HG2 GLU 56 2HG GLU 56 -16.826 -9.180 -11.232 474 HG3 GLU 56 1HG GLU 56 -15.230 -9.888 -10.981 Start of MODEL 11 1 H1 THR 1 1HT THR 1 5.216 20.248 0.183 2 H2 THR 1 2HT THR 1 5.389 19.028 1.376 3 H3 THR 1 3HT THR 1 3.952 19.118 0.443 4 HA THR 1 HA THR 1 5.114 17.392 -0.471 5 HB THR 1 HB THR 1 5.852 19.853 -2.071 6 HG1 THR 1 1HG THR 1 3.700 20.001 -1.582 7 HG21 THR 1 1HG2 THR 1 6.722 18.207 -3.360 8 HG22 THR 1 2HG2 THR 1 5.048 18.157 -3.915 9 HG23 THR 1 3HG2 THR 1 5.621 16.979 -2.733 10 H THR 2 H THR 2 6.809 16.480 0.606 11 HA THR 2 HA THR 2 9.267 17.678 1.171 12 HB THR 2 HB THR 2 10.100 15.332 1.442 13 HG1 THR 2 1HG THR 2 7.470 14.592 0.703 14 HG21 THR 2 3HG2 THR 2 9.040 16.299 3.348 15 HG22 THR 2 1HG2 THR 2 8.487 14.628 3.183 16 HG23 THR 2 2HG2 THR 2 7.436 15.954 2.687 17 H TYR 3 H TYR 3 11.359 16.389 0.294 18 HA TYR 3 HA TYR 3 11.387 16.972 -2.566 19 HB2 TYR 3 2HB TYR 3 13.036 18.093 -1.096 20 HB3 TYR 3 1HB TYR 3 13.712 16.519 -0.693 21 HD1 TYR 3 2HD TYR 3 12.705 18.172 -3.894 22 HD2 TYR 3 1HD TYR 3 15.756 16.186 -1.685 23 HE1 TYR 3 2HE TYR 3 14.195 18.305 -5.848 24 HE2 TYR 3 1HE TYR 3 17.256 16.316 -3.631 25 HH TYR 3 HH TYR 3 16.992 16.516 -6.157 26 H LYS 4 H LYS 4 11.123 14.312 -0.559 27 HA LYS 4 HA LYS 4 12.324 12.551 -2.586 28 HB2 LYS 4 2HB LYS 4 13.425 12.360 -0.409 29 HB3 LYS 4 1HB LYS 4 11.890 12.020 0.359 30 HG2 LYS 4 2HG LYS 4 11.741 9.904 -0.626 31 HG3 LYS 4 1HG LYS 4 12.993 10.267 -1.803 32 HD2 LYS 4 2HD LYS 4 13.527 10.199 1.149 33 HD3 LYS 4 1HD LYS 4 13.645 8.762 0.137 34 HE2 LYS 4 2HE LYS 4 15.434 9.634 -1.085 35 HE3 LYS 4 1HE LYS 4 15.108 11.290 -0.565 36 HZ1 LYS 4 3HZ LYS 4 17.043 10.362 0.550 37 HZ2 LYS 4 1HZ LYS 4 16.104 9.110 1.193 38 HZ3 LYS 4 2HZ LYS 4 15.825 10.711 1.658 39 H LEU 5 H LEU 5 9.506 13.771 -2.131 40 HA LEU 5 HA LEU 5 7.421 13.139 -2.788 41 HB2 LEU 5 2HB LEU 5 9.090 11.237 -3.928 42 HB3 LEU 5 1HB LEU 5 7.854 10.292 -3.133 43 HG LEU 5 HG LEU 5 6.693 12.484 -4.640 44 HD11 LEU 5 1HD1 LEU 5 8.216 10.442 -6.236 45 HD12 LEU 5 2HD1 LEU 5 8.743 12.108 -5.994 46 HD13 LEU 5 3HD1 LEU 5 7.235 11.773 -6.848 47 HD21 LEU 5 3HD2 LEU 5 5.542 10.456 -3.756 48 HD22 LEU 5 1HD2 LEU 5 6.402 9.503 -4.967 49 HD23 LEU 5 2HD2 LEU 5 5.266 10.755 -5.472 50 H ILE 6 H ILE 6 8.670 12.572 0.022 51 HA ILE 6 HA ILE 6 6.761 10.574 0.974 52 HB ILE 6 HB ILE 6 8.837 12.049 2.584 53 HG12 ILE 6 2HG1 ILE 6 9.269 9.217 1.876 54 HG13 ILE 6 1HG1 ILE 6 9.429 10.360 0.545 55 HG21 ILE 6 1HG2 ILE 6 7.912 9.369 3.370 56 HG22 ILE 6 2HG2 ILE 6 6.708 10.651 3.488 57 HG23 ILE 6 3HG2 ILE 6 8.238 10.794 4.353 58 HD11 ILE 6 3HD1 ILE 6 11.004 10.219 3.080 59 HD12 ILE 6 1HD1 ILE 6 10.991 11.656 2.059 60 HD13 ILE 6 2HD1 ILE 6 11.578 10.122 1.417 61 H LEU 7 H LEU 7 4.778 11.547 0.990 62 HA LEU 7 HA LEU 7 4.498 13.972 2.632 63 HB2 LEU 7 2HB LEU 7 3.004 13.006 0.229 64 HB3 LEU 7 1HB LEU 7 2.225 14.087 1.370 65 HG LEU 7 HG LEU 7 4.506 15.457 0.939 66 HD11 LEU 7 1HD1 LEU 7 5.419 15.199 -1.130 67 HD12 LEU 7 2HD1 LEU 7 3.935 14.548 -1.828 68 HD13 LEU 7 3HD1 LEU 7 4.953 13.526 -0.814 69 HD21 LEU 7 3HD2 LEU 7 3.152 16.993 -0.025 70 HD22 LEU 7 1HD2 LEU 7 1.896 15.892 0.540 71 HD23 LEU 7 2HD2 LEU 7 2.436 15.829 -1.138 72 H ASN 8 H ASN 8 3.172 10.806 1.887 73 HA ASN 8 HA ASN 8 2.231 10.485 4.582 74 HB2 ASN 8 2HB ASN 8 0.402 11.413 2.548 75 HB3 ASN 8 1HB ASN 8 -0.086 9.820 3.122 76 HD21 ASN 8 1HD2 ASN 8 -1.938 11.204 3.823 77 HD22 ASN 8 2HD2 ASN 8 -1.847 11.904 5.400 78 H LEU 9 H LEU 9 4.059 9.220 2.685 79 HA LEU 9 HA LEU 9 2.819 6.666 2.049 80 HB2 LEU 9 2HB LEU 9 5.550 7.840 1.562 81 HB3 LEU 9 1HB LEU 9 5.213 6.133 1.285 82 HG LEU 9 HG LEU 9 5.057 7.273 -0.812 83 HD11 LEU 9 1HD1 LEU 9 3.086 5.689 0.189 84 HD12 LEU 9 2HD1 LEU 9 3.198 6.225 -1.488 85 HD13 LEU 9 3HD1 LEU 9 2.171 7.098 -0.351 86 HD21 LEU 9 3HD2 LEU 9 2.788 8.995 -0.213 87 HD22 LEU 9 1HD2 LEU 9 4.275 9.344 -1.098 88 HD23 LEU 9 2HD2 LEU 9 4.250 9.453 0.661 89 H LYS 10 H LYS 10 5.381 7.989 4.052 90 HA LYS 10 HA LYS 10 6.436 5.824 5.302 91 HB2 LYS 10 2HB LYS 10 6.233 8.612 5.765 92 HB3 LYS 10 1HB LYS 10 5.891 7.809 7.296 93 HG2 LYS 10 2HG LYS 10 8.035 6.438 6.745 94 HG3 LYS 10 1HG LYS 10 8.389 7.788 5.666 95 HD2 LYS 10 2HD LYS 10 8.562 9.308 7.414 96 HD3 LYS 10 1HD LYS 10 7.598 8.305 8.503 97 HE2 LYS 10 2HE LYS 10 10.106 7.090 7.560 98 HE3 LYS 10 1HE LYS 10 10.304 8.515 8.588 99 HZ1 LYS 10 3HZ LYS 10 8.958 5.962 9.242 100 HZ2 LYS 10 1HZ LYS 10 8.705 7.364 10.154 101 HZ3 LYS 10 2HZ LYS 10 10.254 6.697 10.038 102 H GLN 11 H GLN 11 3.325 7.322 5.900 103 HA GLN 11 HA GLN 11 2.659 5.782 8.202 104 HB2 GLN 11 2HB GLN 11 1.600 7.926 7.795 105 HB3 GLN 11 1HB GLN 11 0.954 7.352 6.264 106 HG2 GLN 11 2HG GLN 11 -0.821 6.440 7.250 107 HG3 GLN 11 1HG GLN 11 0.165 5.664 8.488 108 HE21 GLN 11 1HE2 GLN 11 -0.871 8.935 7.570 109 HE22 GLN 11 2HE2 GLN 11 -1.256 9.448 9.175 110 H ALA 12 H ALA 12 1.921 5.534 4.749 111 HA ALA 12 HA ALA 12 0.258 3.236 4.996 112 HB1 ALA 12 1HB ALA 12 -0.206 4.322 3.045 113 HB2 ALA 12 2HB ALA 12 0.919 3.108 2.438 114 HB3 ALA 12 3HB ALA 12 1.479 4.749 2.751 115 H LYS 13 H LYS 13 3.664 3.734 4.141 116 HA LYS 13 HA LYS 13 4.328 1.120 3.466 117 HB2 LYS 13 2HB LYS 13 6.083 3.136 4.877 118 HB3 LYS 13 1HB LYS 13 6.635 1.735 3.971 119 HG2 LYS 13 2HG LYS 13 5.189 2.929 2.067 120 HG3 LYS 13 1HG LYS 13 5.648 4.346 3.015 121 HD2 LYS 13 2HD LYS 13 8.027 3.177 2.903 122 HD3 LYS 13 1HD LYS 13 7.337 2.476 1.439 123 HE2 LYS 13 2HE LYS 13 8.403 4.429 0.711 124 HE3 LYS 13 1HE LYS 13 6.696 4.862 0.804 125 HZ1 LYS 13 3HZ LYS 13 8.626 6.327 1.874 126 HZ2 LYS 13 1HZ LYS 13 8.274 5.336 3.201 127 HZ3 LYS 13 2HZ LYS 13 7.056 6.279 2.502 128 H GLU 14 H GLU 14 4.248 2.687 6.637 129 HA GLU 14 HA GLU 14 5.290 0.459 8.067 130 HB2 GLU 14 2HB GLU 14 3.636 2.810 9.016 131 HB3 GLU 14 1HB GLU 14 4.340 1.607 10.083 132 HG2 GLU 14 2HG GLU 14 6.435 2.415 9.857 133 HG3 GLU 14 1HG GLU 14 6.181 2.934 8.192 134 H GLU 15 H GLU 15 2.069 1.459 7.115 135 HA GLU 15 HA GLU 15 0.729 -0.521 8.707 136 HB2 GLU 15 2HB GLU 15 -0.063 1.546 6.732 137 HB3 GLU 15 1HB GLU 15 -1.144 0.170 6.908 138 HG2 GLU 15 2HG GLU 15 -0.469 1.026 9.508 139 HG3 GLU 15 1HG GLU 15 -0.867 2.464 8.571 140 H ALA 16 H ALA 16 1.860 -0.253 5.393 141 HA ALA 16 HA ALA 16 0.542 -2.475 4.303 142 HB1 ALA 16 1HB ALA 16 3.289 -1.577 3.481 143 HB2 ALA 16 2HB ALA 16 1.834 -0.668 3.075 144 HB3 ALA 16 3HB ALA 16 2.035 -2.318 2.487 145 H ILE 17 H ILE 17 3.776 -2.216 5.760 146 HA ILE 17 HA ILE 17 4.424 -4.948 5.493 147 HB ILE 17 HB ILE 17 6.217 -3.401 5.848 148 HG12 ILE 17 2HG1 ILE 17 7.447 -4.509 7.626 149 HG13 ILE 17 1HG1 ILE 17 5.948 -5.011 8.403 150 HG21 ILE 17 1HG2 ILE 17 6.339 -1.805 7.456 151 HG22 ILE 17 2HG2 ILE 17 5.524 -2.798 8.663 152 HG23 ILE 17 3HG2 ILE 17 4.585 -1.980 7.417 153 HD11 ILE 17 3HD1 ILE 17 5.444 -6.384 6.401 154 HD12 ILE 17 1HD1 ILE 17 6.878 -6.893 7.292 155 HD13 ILE 17 2HD1 ILE 17 7.049 -5.988 5.788 156 H LYS 18 H LYS 18 3.197 -3.085 8.233 157 HA LYS 18 HA LYS 18 3.045 -5.068 10.149 158 HB2 LYS 18 2HB LYS 18 2.680 -2.702 10.649 159 HB3 LYS 18 1HB LYS 18 1.184 -2.722 9.725 160 HG2 LYS 18 2HG LYS 18 0.763 -2.816 12.120 161 HG3 LYS 18 1HG LYS 18 0.203 -4.279 11.308 162 HD2 LYS 18 2HD LYS 18 1.303 -4.938 13.326 163 HD3 LYS 18 1HD LYS 18 2.351 -5.375 11.974 164 HE2 LYS 18 2HE LYS 18 3.214 -2.856 12.546 165 HE3 LYS 18 1HE LYS 18 2.767 -3.447 14.146 166 HZ1 LYS 18 3HZ LYS 18 4.173 -5.405 13.730 167 HZ2 LYS 18 1HZ LYS 18 5.055 -3.960 13.708 168 HZ3 LYS 18 2HZ LYS 18 4.662 -4.734 12.257 169 H GLU 19 H GLU 19 0.568 -4.073 7.783 170 HA GLU 19 HA GLU 19 -1.391 -5.916 8.557 171 HB2 GLU 19 2HB GLU 19 -0.809 -4.820 5.790 172 HB3 GLU 19 1HB GLU 19 -2.284 -5.658 6.250 173 HG2 GLU 19 2HG GLU 19 -1.676 -3.419 7.998 174 HG3 GLU 19 1HG GLU 19 -1.861 -2.943 6.310 175 H LEU 20 H LEU 20 1.285 -6.168 6.256 176 HA LEU 20 HA LEU 20 0.753 -8.821 5.438 177 HB2 LEU 20 2HB LEU 20 2.570 -6.845 4.796 178 HB3 LEU 20 1HB LEU 20 3.578 -8.069 5.554 179 HG LEU 20 HG LEU 20 2.235 -9.670 3.900 180 HD11 LEU 20 1HD1 LEU 20 0.824 -8.478 2.652 181 HD12 LEU 20 2HD1 LEU 20 2.266 -8.009 1.741 182 HD13 LEU 20 3HD1 LEU 20 1.632 -6.951 3.012 183 HD21 LEU 20 3HD2 LEU 20 4.220 -9.865 2.884 184 HD22 LEU 20 1HD2 LEU 20 4.771 -8.634 4.019 185 HD23 LEU 20 2HD2 LEU 20 4.246 -8.169 2.403 186 H VAL 21 H VAL 21 2.382 -7.357 8.149 187 HA VAL 21 HA VAL 21 3.626 -9.724 9.108 188 HB VAL 21 HB VAL 21 2.996 -7.257 10.729 189 HG11 VAL 21 1HG1 VAL 21 4.244 -8.108 12.384 190 HG12 VAL 21 2HG1 VAL 21 5.390 -8.867 11.275 191 HG13 VAL 21 3HG1 VAL 21 3.854 -9.655 11.626 192 HG21 VAL 21 3HG2 VAL 21 4.771 -7.573 8.510 193 HG22 VAL 21 1HG2 VAL 21 5.720 -7.346 9.979 194 HG23 VAL 21 2HG2 VAL 21 4.508 -6.155 9.522 195 H ASP 22 H ASP 22 0.548 -8.126 9.679 196 HA ASP 22 HA ASP 22 -0.156 -9.940 11.825 197 HB2 ASP 22 2HB ASP 22 -0.850 -7.450 11.565 198 HB3 ASP 22 1HB ASP 22 -2.088 -8.081 10.485 199 H ALA 23 H ALA 23 -0.571 -9.733 8.400 200 HA ALA 23 HA ALA 23 -2.650 -11.800 8.446 201 HB1 ALA 23 1HB ALA 23 -1.734 -9.832 6.395 202 HB2 ALA 23 2HB ALA 23 -3.363 -10.162 6.989 203 HB3 ALA 23 3HB ALA 23 -2.577 -11.295 5.891 204 H GLY 24 H GLY 24 0.339 -11.111 6.610 205 HA2 GLY 24 2HA GLY 24 2.117 -12.579 6.224 206 HA3 GLY 24 1HA GLY 24 1.157 -13.881 6.924 207 H THR 25 H THR 25 0.607 -11.640 4.225 208 HA THR 25 HA THR 25 -0.118 -13.941 2.551 209 HB THR 25 HB THR 25 -1.788 -12.119 2.858 210 HG1 THR 25 1HG THR 25 -2.429 -12.667 0.954 211 HG21 THR 25 3HG2 THR 25 -0.024 -10.271 2.822 212 HG22 THR 25 1HG2 THR 25 -1.543 -9.985 1.974 213 HG23 THR 25 2HG2 THR 25 -0.095 -10.423 1.067 214 H ALA 26 H ALA 26 0.151 -12.976 0.076 215 HA ALA 26 HA ALA 26 2.804 -13.446 -0.576 216 HB1 ALA 26 1HB ALA 26 0.504 -13.246 -1.954 217 HB2 ALA 26 2HB ALA 26 2.098 -13.287 -2.710 218 HB3 ALA 26 3HB ALA 26 1.294 -11.745 -2.438 219 H GLU 27 H GLU 27 4.374 -12.232 0.343 220 HA GLU 27 HA GLU 27 4.280 -9.523 0.933 221 HB2 GLU 27 2HB GLU 27 6.797 -9.656 0.927 222 HB3 GLU 27 1HB GLU 27 5.987 -10.852 1.926 223 HG2 GLU 27 2HG GLU 27 6.358 -12.557 0.297 224 HG3 GLU 27 1HG GLU 27 6.976 -11.381 -0.863 225 H LYS 28 H LYS 28 4.960 -11.132 -2.087 226 HA LYS 28 HA LYS 28 6.347 -9.302 -3.550 227 HB2 LYS 28 2HB LYS 28 3.885 -10.772 -4.518 228 HB3 LYS 28 1HB LYS 28 5.157 -10.102 -5.530 229 HG2 LYS 28 2HG LYS 28 5.437 -12.366 -3.570 230 HG3 LYS 28 1HG LYS 28 5.422 -12.481 -5.331 231 HD2 LYS 28 2HD LYS 28 7.406 -10.679 -4.970 232 HD3 LYS 28 1HD LYS 28 7.573 -11.643 -3.499 233 HE2 LYS 28 2HE LYS 28 7.354 -13.641 -5.219 234 HE3 LYS 28 1HE LYS 28 7.957 -12.426 -6.342 235 HZ1 LYS 28 3HZ LYS 28 9.537 -13.968 -4.867 236 HZ2 LYS 28 1HZ LYS 28 9.382 -12.643 -3.823 237 HZ3 LYS 28 2HZ LYS 28 9.982 -12.422 -5.389 238 H TYR 29 H TYR 29 3.046 -9.100 -2.439 239 HA TYR 29 HA TYR 29 2.290 -6.858 -4.014 240 HB2 TYR 29 2HB TYR 29 1.034 -8.614 -2.194 241 HB3 TYR 29 1HB TYR 29 0.824 -6.988 -1.541 242 HD1 TYR 29 2HD TYR 29 -0.030 -5.213 -3.304 243 HD2 TYR 29 1HD TYR 29 -0.415 -9.424 -3.710 244 HE1 TYR 29 2HE TYR 29 -1.883 -4.888 -4.887 245 HE2 TYR 29 1HE TYR 29 -2.252 -9.116 -5.282 246 HH TYR 29 HH TYR 29 -2.904 -6.344 -6.852 247 H ILE 30 H ILE 30 3.517 -7.235 -0.688 248 HA ILE 30 HA ILE 30 3.356 -4.524 0.022 249 HB ILE 30 HB ILE 30 3.792 -6.450 1.604 250 HG12 ILE 30 2HG1 ILE 30 3.997 -4.070 2.300 251 HG13 ILE 30 1HG1 ILE 30 5.072 -5.143 3.185 252 HG21 ILE 30 1HG2 ILE 30 5.520 -7.756 1.043 253 HG22 ILE 30 2HG2 ILE 30 6.481 -6.561 1.910 254 HG23 ILE 30 3HG2 ILE 30 6.342 -6.477 0.158 255 HD11 ILE 30 3HD1 ILE 30 6.617 -3.606 2.738 256 HD12 ILE 30 1HD1 ILE 30 5.692 -2.917 1.403 257 HD13 ILE 30 2HD1 ILE 30 6.675 -4.358 1.145 258 H LYS 31 H LYS 31 5.726 -6.347 -1.785 259 HA LYS 31 HA LYS 31 7.774 -4.394 -1.818 260 HB2 LYS 31 2HB LYS 31 8.056 -6.803 -2.456 261 HB3 LYS 31 1HB LYS 31 7.167 -6.462 -3.941 262 HG2 LYS 31 2HG LYS 31 9.020 -5.774 -4.931 263 HG3 LYS 31 1HG LYS 31 9.284 -4.565 -3.671 264 HD2 LYS 31 2HD LYS 31 9.946 -7.313 -2.881 265 HD3 LYS 31 1HD LYS 31 10.939 -6.670 -4.191 266 HE2 LYS 31 2HE LYS 31 12.014 -6.166 -2.108 267 HE3 LYS 31 1HE LYS 31 11.388 -4.667 -2.790 268 HZ1 LYS 31 3HZ LYS 31 9.660 -6.121 -0.939 269 HZ2 LYS 31 1HZ LYS 31 9.853 -4.454 -1.155 270 HZ3 LYS 31 2HZ LYS 31 11.003 -5.334 -0.280 271 H LEU 32 H LEU 32 4.853 -4.894 -3.646 272 HA LEU 32 HA LEU 32 5.444 -3.035 -5.730 273 HB2 LEU 32 2HB LEU 32 3.508 -4.960 -5.289 274 HB3 LEU 32 1HB LEU 32 2.606 -3.459 -5.135 275 HG LEU 32 HG LEU 32 4.384 -3.692 -7.496 276 HD11 LEU 32 1HD1 LEU 32 1.795 -5.221 -7.282 277 HD12 LEU 32 2HD1 LEU 32 3.407 -5.930 -7.386 278 HD13 LEU 32 3HD1 LEU 32 2.760 -5.007 -8.742 279 HD21 LEU 32 3HD2 LEU 32 1.520 -2.878 -7.529 280 HD22 LEU 32 1HD2 LEU 32 2.884 -2.251 -8.455 281 HD23 LEU 32 2HD2 LEU 32 2.698 -1.817 -6.755 282 H ILE 33 H ILE 33 3.989 -2.843 -2.554 283 HA ILE 33 HA ILE 33 2.838 -0.269 -2.884 284 HB ILE 33 HB ILE 33 2.261 -0.314 -0.644 285 HG12 ILE 33 2HG1 ILE 33 3.696 -2.329 0.672 286 HG13 ILE 33 1HG1 ILE 33 4.905 -1.450 -0.252 287 HG21 ILE 33 1HG2 ILE 33 1.446 -2.276 -2.026 288 HG22 ILE 33 2HG2 ILE 33 1.299 -2.418 -0.274 289 HG23 ILE 33 3HG2 ILE 33 2.597 -3.253 -1.124 290 HD11 ILE 33 3HD1 ILE 33 2.926 -0.039 1.495 291 HD12 ILE 33 1HD1 ILE 33 4.458 0.557 0.857 292 HD13 ILE 33 2HD1 ILE 33 4.448 -0.676 2.119 293 H ALA 34 H ALA 34 6.020 -1.393 -2.019 294 HA ALA 34 HA ALA 34 7.051 0.886 -0.784 295 HB1 ALA 34 1HB ALA 34 8.095 -1.473 -1.208 296 HB2 ALA 34 2HB ALA 34 9.135 -0.058 -1.057 297 HB3 ALA 34 3HB ALA 34 8.751 -0.704 -2.652 298 H ASN 35 H ASN 35 6.381 0.215 -4.132 299 HA ASN 35 HA ASN 35 7.616 2.759 -4.931 300 HB2 ASN 35 2HB ASN 35 7.771 0.246 -6.093 301 HB3 ASN 35 1HB ASN 35 6.596 1.094 -7.101 302 HD21 ASN 35 1HD2 ASN 35 9.635 1.897 -5.444 303 HD22 ASN 35 2HD2 ASN 35 10.369 2.657 -6.807 304 H ALA 36 H ALA 36 4.692 1.568 -4.008 305 HA ALA 36 HA ALA 36 2.683 2.148 -5.630 306 HB1 ALA 36 1HB ALA 36 1.364 2.890 -3.745 307 HB2 ALA 36 2HB ALA 36 2.829 3.224 -2.823 308 HB3 ALA 36 3HB ALA 36 2.424 1.566 -3.263 309 H LYS 37 H LYS 37 4.737 4.615 -4.169 310 HA LYS 37 HA LYS 37 5.101 6.794 -4.722 311 HB2 LYS 37 2HB LYS 37 4.165 5.618 -7.139 312 HB3 LYS 37 1HB LYS 37 3.392 7.195 -6.979 313 HG2 LYS 37 2HG LYS 37 5.901 7.889 -6.376 314 HG3 LYS 37 1HG LYS 37 6.231 6.501 -7.415 315 HD2 LYS 37 2HD LYS 37 6.055 7.985 -9.091 316 HD3 LYS 37 1HD LYS 37 4.317 7.810 -8.844 317 HE2 LYS 37 2HE LYS 37 4.157 9.798 -7.663 318 HE3 LYS 37 1HE LYS 37 5.866 9.808 -7.252 319 HZ1 LYS 37 3HZ LYS 37 4.560 10.561 -9.782 320 HZ2 LYS 37 1HZ LYS 37 6.182 10.067 -9.783 321 HZ3 LYS 37 2HZ LYS 37 5.710 11.417 -8.882 322 H THR 38 H THR 38 1.736 6.208 -5.757 323 HA THR 38 HA THR 38 0.845 8.598 -4.415 324 HB THR 38 HB THR 38 -1.429 7.188 -5.144 325 HG1 THR 38 1HG THR 38 0.497 6.803 -7.178 326 HG21 THR 38 3HG2 THR 38 -1.794 8.851 -6.620 327 HG22 THR 38 1HG2 THR 38 -0.151 8.797 -7.261 328 HG23 THR 38 2HG2 THR 38 -0.473 9.598 -5.723 329 H VAL 39 H VAL 39 -0.286 8.761 -2.538 330 HA VAL 39 HA VAL 39 0.070 6.890 -0.519 331 HB VAL 39 HB VAL 39 -2.201 8.871 -0.606 332 HG11 VAL 39 1HG1 VAL 39 -0.836 7.297 1.510 333 HG12 VAL 39 2HG1 VAL 39 -2.541 7.712 1.328 334 HG13 VAL 39 3HG1 VAL 39 -1.397 8.920 1.913 335 HG21 VAL 39 3HG2 VAL 39 -0.470 10.344 0.609 336 HG22 VAL 39 1HG2 VAL 39 -0.379 10.216 -1.147 337 HG23 VAL 39 2HG2 VAL 39 0.729 9.289 -0.138 338 H GLU 40 H GLU 40 -2.943 7.572 -2.308 339 HA GLU 40 HA GLU 40 -4.503 5.579 -1.143 340 HB2 GLU 40 2HB GLU 40 -4.994 7.535 -2.922 341 HB3 GLU 40 1HB GLU 40 -4.960 6.160 -4.015 342 HG2 GLU 40 2HG GLU 40 -6.529 5.323 -1.880 343 HG3 GLU 40 1HG GLU 40 -7.008 6.996 -2.168 344 H GLY 41 H GLY 41 -2.336 5.447 -3.927 345 HA2 GLY 41 2HA GLY 41 -3.013 2.906 -4.877 346 HA3 GLY 41 1HA GLY 41 -1.445 3.673 -5.074 347 H VAL 42 H VAL 42 -1.037 3.849 -2.154 348 HA VAL 42 HA VAL 42 0.175 1.271 -1.821 349 HB VAL 42 HB VAL 42 0.001 3.099 0.519 350 HG11 VAL 42 1HG1 VAL 42 1.349 1.016 0.505 351 HG12 VAL 42 2HG1 VAL 42 2.294 2.466 0.836 352 HG13 VAL 42 3HG1 VAL 42 2.359 1.722 -0.763 353 HG21 VAL 42 3HG2 VAL 42 2.092 4.249 -0.745 354 HG22 VAL 42 1HG2 VAL 42 0.458 4.914 -0.732 355 HG23 VAL 42 2HG2 VAL 42 1.012 3.960 -2.106 356 H TRP 43 H TRP 43 -2.333 3.065 -0.035 357 HA TRP 43 HA TRP 43 -2.963 1.073 1.813 358 HB2 TRP 43 2HB TRP 43 -4.785 3.164 0.618 359 HB3 TRP 43 1HB TRP 43 -5.128 2.240 2.068 360 HD1 TRP 43 HD TRP 43 -3.646 5.440 0.989 361 HE1 TRP 43 1HE TRP 43 -2.407 6.561 2.949 362 HE3 TRP 43 3HE TRP 43 -3.500 1.495 4.201 363 HZ2 TRP 43 2HZ TRP 43 -1.486 5.855 5.523 364 HZ3 TRP 43 3HZ TRP 43 -2.424 1.786 6.400 365 HH2 TRP 43 HH TRP 43 -1.436 3.925 7.044 366 H THR 44 H THR 44 -4.013 1.505 -1.510 367 HA THR 44 HA THR 44 -6.092 -0.454 -1.371 368 HB THR 44 HB THR 44 -6.104 1.388 -3.020 369 HG1 THR 44 1HG THR 44 -6.022 -1.183 -4.212 370 HG21 THR 44 3HG2 THR 44 -4.765 1.003 -5.123 371 HG22 THR 44 1HG2 THR 44 -3.747 -0.069 -4.161 372 HG23 THR 44 2HG2 THR 44 -3.889 1.634 -3.731 373 H LEU 45 H LEU 45 -2.679 -0.509 -2.210 374 HA LEU 45 HA LEU 45 -2.668 -3.040 -3.461 375 HB2 LEU 45 2HB LEU 45 -0.453 -1.593 -2.005 376 HB3 LEU 45 1HB LEU 45 -0.231 -3.058 -2.940 377 HD11 LEU 45 1HD2 LEU 45 0.860 0.088 -3.475 378 HD12 LEU 45 2HD2 LEU 45 1.016 -0.414 -5.158 379 HD13 LEU 45 3HD2 LEU 45 1.502 -1.507 -3.863 380 HD21 LEU 45 3HD1 LEU 45 -1.590 -2.941 -5.116 381 HD22 LEU 45 1HD1 LEU 45 0.030 -2.587 -5.715 382 HD23 LEU 45 2HD1 LEU 45 -1.314 -1.522 -6.125 383 H LYS 46 H LYS 46 -1.885 -2.148 -0.076 384 HA LYS 46 HA LYS 46 -1.470 -4.781 0.832 385 HB2 LYS 46 2HB LYS 46 -1.952 -3.835 3.098 386 HB3 LYS 46 1HB LYS 46 -0.739 -2.944 2.192 387 HG2 LYS 46 2HG LYS 46 -1.925 -1.167 2.872 388 HG3 LYS 46 1HG LYS 46 -2.945 -1.574 1.493 389 HD2 LYS 46 2HD LYS 46 -4.651 -2.261 2.801 390 HD3 LYS 46 1HD LYS 46 -3.576 -3.018 3.975 391 HE2 LYS 46 2HE LYS 46 -2.979 -0.599 4.646 392 HE3 LYS 46 1HE LYS 46 -4.452 -0.160 3.781 393 HZ1 LYS 46 3HZ LYS 46 -5.416 -0.539 5.751 394 HZ2 LYS 46 1HZ LYS 46 -4.134 -1.479 6.333 395 HZ3 LYS 46 2HZ LYS 46 -5.306 -2.175 5.330 396 H ASP 47 H ASP 47 -4.359 -2.718 0.852 397 HA ASP 47 HA ASP 47 -6.088 -4.615 2.028 398 HB2 ASP 47 2HB ASP 47 -6.417 -2.044 0.564 399 HB3 ASP 47 1HB ASP 47 -7.827 -3.092 0.687 400 H GLU 48 H GLU 48 -4.994 -4.059 -1.229 401 HA GLU 48 HA GLU 48 -6.968 -5.416 -2.667 402 HB2 GLU 48 2HB GLU 48 -4.258 -4.465 -3.151 403 HB3 GLU 48 1HB GLU 48 -4.586 -5.968 -4.000 404 HG2 GLU 48 2HG GLU 48 -6.215 -5.032 -5.316 405 HG3 GLU 48 1HG GLU 48 -6.566 -3.751 -4.156 406 H ILE 49 H ILE 49 -4.142 -6.575 -0.920 407 HA ILE 49 HA ILE 49 -4.411 -9.286 -1.807 408 HB ILE 49 HB ILE 49 -2.984 -8.459 0.707 409 HG12 ILE 49 2HG1 ILE 49 -1.205 -8.604 -1.544 410 HG13 ILE 49 1HG1 ILE 49 -2.465 -7.420 -1.880 411 HG21 ILE 49 1HG2 ILE 49 -2.980 -10.785 -1.128 412 HG22 ILE 49 2HG2 ILE 49 -2.827 -10.721 0.629 413 HG23 ILE 49 3HG2 ILE 49 -1.443 -10.324 -0.392 414 HD11 ILE 49 3HD1 ILE 49 -1.824 -6.710 0.623 415 HD12 ILE 49 1HD1 ILE 49 -1.043 -6.049 -0.811 416 HD13 ILE 49 2HD1 ILE 49 -0.278 -7.361 0.084 417 H LYS 50 H LYS 50 -5.507 -7.404 0.962 418 HA LYS 50 HA LYS 50 -6.368 -9.520 2.589 419 HB2 LYS 50 2HB LYS 50 -7.717 -6.827 2.392 420 HB3 LYS 50 1HB LYS 50 -7.685 -7.909 3.775 421 HG2 LYS 50 2HG LYS 50 -5.372 -6.360 2.639 422 HG3 LYS 50 1HG LYS 50 -6.194 -6.080 4.174 423 HD2 LYS 50 2HD LYS 50 -5.484 -8.389 4.860 424 HD3 LYS 50 1HD LYS 50 -4.493 -8.444 3.401 425 HE2 LYS 50 2HE LYS 50 -3.377 -6.344 4.200 426 HE3 LYS 50 1HE LYS 50 -4.248 -6.535 5.719 427 HZ1 LYS 50 3HZ LYS 50 -2.800 -8.881 4.839 428 HZ2 LYS 50 1HZ LYS 50 -2.901 -8.182 6.378 429 HZ3 LYS 50 2HZ LYS 50 -1.825 -7.557 5.234 430 H THR 51 H THR 51 -8.176 -7.592 0.207 431 HA THR 51 HA THR 51 -10.501 -9.285 0.438 432 HB THR 51 HB THR 51 -10.187 -7.364 -1.817 433 HG1 THR 51 1HG THR 51 -10.558 -6.555 0.875 434 HG21 THR 51 3HG2 THR 51 -12.314 -8.548 -1.440 435 HG22 THR 51 1HG2 THR 51 -12.463 -6.794 -1.327 436 HG23 THR 51 2HG2 THR 51 -12.433 -7.773 0.139 437 H PHE 52 H PHE 52 -7.671 -9.112 -1.543 438 HA PHE 52 HA PHE 52 -6.859 -10.485 -3.165 439 HB2 PHE 52 2HB PHE 52 -8.212 -12.181 -1.585 440 HB3 PHE 52 1HB PHE 52 -9.162 -12.357 -3.056 441 HD1 PHE 52 1HD PHE 52 -5.634 -12.403 -1.864 442 HD2 PHE 52 2HD PHE 52 -8.486 -13.868 -4.661 443 HE1 PHE 52 1HE PHE 52 -3.953 -13.965 -2.752 444 HE2 PHE 52 2HE PHE 52 -6.810 -15.432 -5.556 445 HZ PHE 52 HZ PHE 52 -4.541 -15.482 -4.601 446 H THR 53 H THR 53 -8.945 -8.383 -3.652 447 HA THR 53 HA THR 53 -10.652 -9.181 -5.741 448 HB THR 53 HB THR 53 -11.092 -7.120 -4.608 449 HG1 THR 53 1HG THR 53 -10.165 -6.434 -7.194 450 HG21 THR 53 3HG2 THR 53 -9.534 -5.134 -5.119 451 HG22 THR 53 1HG2 THR 53 -8.312 -6.374 -5.397 452 HG23 THR 53 2HG2 THR 53 -9.104 -6.253 -3.826 453 H VAL 54 H VAL 54 -10.282 -9.629 -7.806 454 HA VAL 54 HA VAL 54 -9.088 -10.148 -9.688 455 HB VAL 54 HB VAL 54 -9.752 -7.789 -10.067 456 HG11 VAL 54 1HG1 VAL 54 -7.939 -6.062 -9.914 457 HG12 VAL 54 2HG1 VAL 54 -7.013 -7.219 -8.958 458 HG13 VAL 54 3HG1 VAL 54 -8.565 -6.629 -8.366 459 HG21 VAL 54 3HG2 VAL 54 -7.617 -9.237 -11.365 460 HG22 VAL 54 1HG2 VAL 54 -7.422 -7.495 -11.568 461 HG23 VAL 54 2HG2 VAL 54 -8.919 -8.281 -12.072 462 H THR 55 H THR 55 -7.694 -10.832 -7.285 463 HA THR 55 HA THR 55 -4.912 -10.129 -7.752 464 HB THR 55 HB THR 55 -6.143 -11.949 -5.672 465 HG1 THR 55 1HG THR 55 -5.240 -9.274 -5.431 466 HG21 THR 55 3HG2 THR 55 -3.381 -10.783 -5.864 467 HG22 THR 55 1HG2 THR 55 -3.823 -12.490 -5.906 468 HG23 THR 55 2HG2 THR 55 -4.051 -11.557 -4.426 469 H GLU 56 H GLU 56 -6.978 -13.008 -7.819 470 HA GLU 56 HA GLU 56 -4.852 -14.724 -8.703 471 HB2 GLU 56 2HB GLU 56 -7.424 -15.077 -7.627 472 HB3 GLU 56 1HB GLU 56 -7.485 -15.784 -9.237 473 HG2 GLU 56 2HG GLU 56 -5.844 -17.353 -8.745 474 HG3 GLU 56 1HG GLU 56 -5.255 -16.443 -7.355 Start of MODEL 12 1 H1 THR 1 1HT THR 1 9.920 12.848 15.025 2 H2 THR 1 2HT THR 1 8.349 13.470 15.351 3 H3 THR 1 3HT THR 1 8.928 12.094 16.203 4 HA THR 1 HA THR 1 9.777 14.888 16.420 5 HB THR 1 HB THR 1 7.852 14.083 17.743 6 HG1 THR 1 1HG THR 1 8.539 15.037 19.528 7 HG21 THR 1 1HG2 THR 1 8.101 11.825 18.139 8 HG22 THR 1 2HG2 THR 1 8.499 12.542 19.704 9 HG23 THR 1 3HG2 THR 1 9.785 11.993 18.631 10 H THR 2 H THR 2 10.806 11.573 16.595 11 HA THR 2 HA THR 2 13.357 12.427 17.790 12 HB THR 2 HB THR 2 12.761 10.751 19.213 13 HG1 THR 2 1HG THR 2 14.590 9.878 18.358 14 HG21 THR 2 3HG2 THR 2 11.099 9.694 16.994 15 HG22 THR 2 1HG2 THR 2 10.665 10.058 18.663 16 HG23 THR 2 2HG2 THR 2 11.594 8.607 18.291 17 H TYR 3 H TYR 3 12.657 9.532 15.873 18 HA TYR 3 HA TYR 3 14.522 10.517 13.823 19 HB2 TYR 3 2HB TYR 3 14.770 8.189 15.531 20 HB3 TYR 3 1HB TYR 3 14.780 7.731 13.837 21 HD1 TYR 3 1HD TYR 3 16.255 9.596 12.396 22 HD2 TYR 3 2HD TYR 3 16.878 8.388 16.426 23 HE1 TYR 3 1HE TYR 3 18.615 10.254 12.219 24 HE2 TYR 3 2HE TYR 3 19.241 9.044 16.261 25 HH TYR 3 HH TYR 3 20.470 11.011 14.215 26 H LYS 4 H LYS 4 11.473 10.181 14.136 27 HA LYS 4 HA LYS 4 11.099 8.921 11.514 28 HB2 LYS 4 2HB LYS 4 9.189 8.522 13.820 29 HB3 LYS 4 1HB LYS 4 9.121 7.764 12.234 30 HG2 LYS 4 2HG LYS 4 11.534 7.325 13.908 31 HG3 LYS 4 1HG LYS 4 10.046 6.479 14.329 32 HD2 LYS 4 2HD LYS 4 9.952 5.742 11.901 33 HD3 LYS 4 1HD LYS 4 11.605 6.338 11.759 34 HE2 LYS 4 2HE LYS 4 10.745 4.331 13.830 35 HE3 LYS 4 1HE LYS 4 11.358 3.873 12.244 36 HZ1 LYS 4 3HZ LYS 4 12.871 5.601 14.113 37 HZ2 LYS 4 1HZ LYS 4 13.447 4.838 12.717 38 HZ3 LYS 4 2HZ LYS 4 13.040 3.918 14.076 39 H LEU 5 H LEU 5 8.644 9.346 10.881 40 HA LEU 5 HA LEU 5 7.413 11.718 11.742 41 HB2 LEU 5 2HB LEU 5 9.714 12.262 10.381 42 HB3 LEU 5 1HB LEU 5 8.529 12.320 9.089 43 HG LEU 5 HG LEU 5 7.228 13.977 10.441 44 HD11 LEU 5 1HD1 LEU 5 8.579 15.150 12.233 45 HD12 LEU 5 2HD1 LEU 5 9.634 13.739 12.217 46 HD13 LEU 5 3HD1 LEU 5 7.935 13.561 12.649 47 HD21 LEU 5 3HD2 LEU 5 8.806 15.852 10.031 48 HD22 LEU 5 1HD2 LEU 5 8.623 14.766 8.658 49 HD23 LEU 5 2HD2 LEU 5 10.057 14.661 9.672 50 H ILE 6 H ILE 6 5.856 9.908 11.470 51 HA ILE 6 HA ILE 6 5.136 8.960 8.903 52 HB ILE 6 HB ILE 6 3.356 9.117 11.336 53 HG12 ILE 6 2HG1 ILE 6 4.791 6.610 10.652 54 HG13 ILE 6 1HG1 ILE 6 5.761 7.902 11.352 55 HG21 ILE 6 1HG2 ILE 6 2.330 8.597 9.091 56 HG22 ILE 6 2HG2 ILE 6 2.086 7.381 10.347 57 HG23 ILE 6 3HG2 ILE 6 3.294 7.120 9.088 58 HD11 ILE 6 3HD1 ILE 6 5.131 6.842 13.245 59 HD12 ILE 6 1HD1 ILE 6 3.621 6.263 12.563 60 HD13 ILE 6 2HD1 ILE 6 3.765 7.940 13.091 61 H LEU 7 H LEU 7 4.615 10.402 7.363 62 HA LEU 7 HA LEU 7 2.854 12.635 8.013 63 HB2 LEU 7 2HB LEU 7 4.771 12.017 5.847 64 HB3 LEU 7 1HB LEU 7 3.366 12.966 5.393 65 HG LEU 7 HG LEU 7 5.176 14.458 5.911 66 HD11 LEU 7 1HD1 LEU 7 3.952 15.918 7.131 67 HD12 LEU 7 2HD1 LEU 7 3.584 14.734 8.386 68 HD13 LEU 7 3HD1 LEU 7 2.698 14.708 6.859 69 HD21 LEU 7 3HD2 LEU 7 6.163 14.513 8.181 70 HD22 LEU 7 1HD2 LEU 7 6.532 13.027 7.304 71 HD23 LEU 7 2HD2 LEU 7 5.298 13.023 8.563 72 H ASN 8 H ASN 8 2.992 10.835 4.971 73 HA ASN 8 HA ASN 8 0.166 10.120 5.313 74 HB2 ASN 8 2HB ASN 8 -0.398 10.921 3.120 75 HB3 ASN 8 1HB ASN 8 0.412 12.226 3.985 76 HD21 ASN 8 1HD2 ASN 8 0.099 11.832 1.131 77 HD22 ASN 8 2HD2 ASN 8 1.694 11.782 0.469 78 H LEU 9 H LEU 9 3.208 9.523 3.618 79 HA LEU 9 HA LEU 9 2.179 7.055 2.466 80 HB2 LEU 9 2HB LEU 9 4.750 8.576 2.233 81 HB3 LEU 9 1HB LEU 9 4.697 6.875 1.782 82 HG LEU 9 HG LEU 9 2.532 7.894 0.432 83 HD11 LEU 9 1HD1 LEU 9 3.813 9.853 -0.787 84 HD12 LEU 9 2HD1 LEU 9 4.556 10.034 0.802 85 HD13 LEU 9 3HD1 LEU 9 2.806 10.146 0.630 86 HD21 LEU 9 3HD2 LEU 9 4.050 6.349 -0.544 87 HD22 LEU 9 1HD2 LEU 9 5.386 7.496 -0.438 88 HD23 LEU 9 2HD2 LEU 9 4.057 7.791 -1.559 89 H LYS 10 H LYS 10 4.606 8.136 4.761 90 HA LYS 10 HA LYS 10 5.774 5.829 5.598 91 HB2 LYS 10 2HB LYS 10 5.322 8.469 6.629 92 HB3 LYS 10 1HB LYS 10 5.199 7.299 7.941 93 HG2 LYS 10 2HG LYS 10 7.397 6.854 7.922 94 HG3 LYS 10 1HG LYS 10 7.494 6.897 6.160 95 HD2 LYS 10 2HD LYS 10 7.041 9.509 6.699 96 HD3 LYS 10 1HD LYS 10 7.940 9.034 8.140 97 HE2 LYS 10 2HE LYS 10 9.726 8.139 6.720 98 HE3 LYS 10 1HE LYS 10 8.829 8.627 5.286 99 HZ1 LYS 10 3HZ LYS 10 9.100 10.896 5.834 100 HZ2 LYS 10 1HZ LYS 10 10.619 10.185 6.011 101 HZ3 LYS 10 2HZ LYS 10 9.683 10.541 7.374 102 H GLN 11 H GLN 11 2.580 7.031 6.387 103 HA GLN 11 HA GLN 11 1.975 5.048 8.347 104 HB2 GLN 11 2HB GLN 11 0.824 7.180 8.377 105 HB3 GLN 11 1HB GLN 11 0.218 6.916 6.749 106 HG2 GLN 11 2HG GLN 11 -1.634 6.213 7.772 107 HG3 GLN 11 1HG GLN 11 -0.735 4.722 8.050 108 HE21 GLN 11 1HE2 GLN 11 -2.336 4.620 9.838 109 HE22 GLN 11 2HE2 GLN 11 -1.908 5.357 11.341 110 H ALA 12 H ALA 12 1.345 5.448 4.899 111 HA ALA 12 HA ALA 12 -0.271 3.116 4.642 112 HB1 ALA 12 1HB ALA 12 1.180 4.078 2.262 113 HB2 ALA 12 2HB ALA 12 0.147 5.260 3.067 114 HB3 ALA 12 3HB ALA 12 -0.537 3.740 2.490 115 H LYS 13 H LYS 13 3.147 3.830 3.971 116 HA LYS 13 HA LYS 13 3.757 1.222 3.020 117 HB2 LYS 13 2HB LYS 13 5.663 3.240 4.217 118 HB3 LYS 13 1HB LYS 13 6.075 1.903 3.153 119 HG2 LYS 13 2HG LYS 13 4.888 2.942 1.323 120 HG3 LYS 13 1HG LYS 13 4.350 4.247 2.382 121 HD2 LYS 13 2HD LYS 13 6.157 5.314 1.558 122 HD3 LYS 13 1HD LYS 13 7.022 4.367 2.769 123 HE2 LYS 13 2HE LYS 13 6.549 3.318 -0.002 124 HE3 LYS 13 1HE LYS 13 7.918 4.366 0.363 125 HZ1 LYS 13 3HZ LYS 13 8.845 2.329 0.705 126 HZ2 LYS 13 1HZ LYS 13 7.401 1.615 1.224 127 HZ3 LYS 13 2HZ LYS 13 8.268 2.624 2.267 128 H GLU 14 H GLU 14 4.384 2.835 6.135 129 HA GLU 14 HA GLU 14 5.607 0.724 7.464 130 HB2 GLU 14 2HB GLU 14 5.441 2.976 8.450 131 HB3 GLU 14 1HB GLU 14 3.706 2.756 8.671 132 HG2 GLU 14 2HG GLU 14 4.661 0.587 9.969 133 HG3 GLU 14 1HG GLU 14 5.963 1.741 10.246 134 H GLU 15 H GLU 15 2.170 1.408 7.055 135 HA GLU 15 HA GLU 15 1.268 -0.782 8.635 136 HB2 GLU 15 2HB GLU 15 0.014 1.147 6.737 137 HB3 GLU 15 1HB GLU 15 -0.867 -0.326 7.125 138 HG2 GLU 15 2HG GLU 15 0.217 1.089 9.447 139 HG3 GLU 15 1HG GLU 15 -0.994 1.989 8.536 140 H ALA 16 H ALA 16 2.107 -0.340 5.267 141 HA ALA 16 HA ALA 16 0.938 -2.555 4.101 142 HB1 ALA 16 1HB ALA 16 2.165 -0.784 2.881 143 HB2 ALA 16 2HB ALA 16 2.633 -2.412 2.393 144 HB3 ALA 16 3HB ALA 16 3.680 -1.478 3.460 145 H ILE 17 H ILE 17 4.058 -2.356 5.797 146 HA ILE 17 HA ILE 17 4.622 -5.152 5.451 147 HB ILE 17 HB ILE 17 5.901 -3.302 7.476 148 HG12 ILE 17 2HG1 ILE 17 7.768 -3.350 5.636 149 HG13 ILE 17 1HG1 ILE 17 6.441 -3.738 4.548 150 HG21 ILE 17 1HG2 ILE 17 7.805 -5.063 6.825 151 HG22 ILE 17 2HG2 ILE 17 6.379 -6.072 6.576 152 HG23 ILE 17 3HG2 ILE 17 6.663 -5.318 8.146 153 HD11 ILE 17 3HD1 ILE 17 5.790 -1.490 6.227 154 HD12 ILE 17 1HD1 ILE 17 5.798 -1.627 4.470 155 HD13 ILE 17 2HD1 ILE 17 7.284 -1.222 5.328 156 H LYS 18 H LYS 18 3.653 -3.169 8.219 157 HA LYS 18 HA LYS 18 3.447 -5.122 10.162 158 HB2 LYS 18 2HB LYS 18 3.271 -2.742 10.666 159 HB3 LYS 18 1HB LYS 18 1.751 -2.646 9.788 160 HG2 LYS 18 2HG LYS 18 0.835 -2.883 11.816 161 HG3 LYS 18 1HG LYS 18 1.182 -4.597 11.581 162 HD2 LYS 18 2HD LYS 18 3.237 -2.778 12.783 163 HD3 LYS 18 1HD LYS 18 1.938 -3.443 13.776 164 HE2 LYS 18 2HE LYS 18 3.189 -5.469 12.119 165 HE3 LYS 18 1HE LYS 18 4.354 -4.663 13.167 166 HZ1 LYS 18 3HZ LYS 18 1.848 -6.004 14.024 167 HZ2 LYS 18 1HZ LYS 18 2.879 -5.144 15.054 168 HZ3 LYS 18 2HZ LYS 18 3.425 -6.552 14.294 169 H GLU 19 H GLU 19 0.936 -3.974 7.912 170 HA GLU 19 HA GLU 19 -1.095 -5.686 8.804 171 HB2 GLU 19 2HB GLU 19 -0.624 -4.595 6.017 172 HB3 GLU 19 1HB GLU 19 -2.120 -5.335 6.570 173 HG2 GLU 19 2HG GLU 19 -1.020 -3.008 8.062 174 HG3 GLU 19 1HG GLU 19 -1.843 -2.739 6.527 175 H LEU 20 H LEU 20 1.415 -6.091 6.333 176 HA LEU 20 HA LEU 20 0.652 -8.690 5.530 177 HB2 LEU 20 2HB LEU 20 2.568 -6.847 4.802 178 HB3 LEU 20 1HB LEU 20 3.528 -8.137 5.514 179 HG LEU 20 HG LEU 20 1.980 -9.634 3.928 180 HD11 LEU 20 1HD1 LEU 20 1.636 -6.862 3.020 181 HD12 LEU 20 2HD1 LEU 20 0.621 -8.283 2.769 182 HD13 LEU 20 3HD1 LEU 20 2.048 -8.030 1.753 183 HD21 LEU 20 3HD2 LEU 20 4.092 -8.257 2.412 184 HD22 LEU 20 1HD2 LEU 20 3.875 -9.971 2.761 185 HD23 LEU 20 2HD2 LEU 20 4.590 -8.908 3.973 186 H VAL 21 H VAL 21 2.481 -7.380 8.187 187 HA VAL 21 HA VAL 21 3.626 -9.839 9.052 188 HB VAL 21 HB VAL 21 3.205 -7.361 10.734 189 HG11 VAL 21 1HG1 VAL 21 5.043 -9.733 11.020 190 HG12 VAL 21 2HG1 VAL 21 3.702 -9.288 12.076 191 HG13 VAL 21 3HG1 VAL 21 5.138 -8.266 11.995 192 HG21 VAL 21 3HG2 VAL 21 4.737 -6.346 9.475 193 HG22 VAL 21 1HG2 VAL 21 4.900 -7.777 8.459 194 HG23 VAL 21 2HG2 VAL 21 5.892 -7.605 9.906 195 H ASP 22 H ASP 22 0.670 -8.074 9.781 196 HA ASP 22 HA ASP 22 -0.053 -9.969 11.871 197 HB2 ASP 22 2HB ASP 22 -1.387 -7.483 10.802 198 HB3 ASP 22 1HB ASP 22 -2.132 -8.525 12.012 199 H ALA 23 H ALA 23 -0.533 -9.557 8.508 200 HA ALA 23 HA ALA 23 -2.895 -11.300 8.532 201 HB1 ALA 23 1HB ALA 23 -2.686 -9.042 7.213 202 HB2 ALA 23 2HB ALA 23 -3.518 -10.427 6.506 203 HB3 ALA 23 3HB ALA 23 -1.860 -10.058 6.031 204 H GLY 24 H GLY 24 0.265 -10.962 6.916 205 HA2 GLY 24 2HA GLY 24 1.741 -12.606 6.233 206 HA3 GLY 24 1HA GLY 24 0.682 -13.800 6.981 207 H THR 25 H THR 25 1.065 -11.750 4.122 208 HA THR 25 HA THR 25 -0.207 -13.857 2.529 209 HB THR 25 HB THR 25 -1.781 -11.940 3.035 210 HG1 THR 25 1HG THR 25 -1.373 -12.060 0.269 211 HG21 THR 25 3HG2 THR 25 -1.584 -9.894 1.857 212 HG22 THR 25 1HG2 THR 25 -0.139 -10.446 1.008 213 HG23 THR 25 2HG2 THR 25 -0.079 -10.133 2.742 214 H ALA 26 H ALA 26 0.076 -13.182 0.080 215 HA ALA 26 HA ALA 26 2.686 -13.519 -0.643 216 HB1 ALA 26 1HB ALA 26 1.914 -13.433 -2.750 217 HB2 ALA 26 2HB ALA 26 1.157 -11.854 -2.514 218 HB3 ALA 26 3HB ALA 26 0.334 -13.317 -1.971 219 H GLU 27 H GLU 27 4.175 -12.252 0.398 220 HA GLU 27 HA GLU 27 4.070 -9.520 0.845 221 HB2 GLU 27 2HB GLU 27 6.653 -10.913 0.189 222 HB3 GLU 27 1HB GLU 27 6.377 -9.606 1.328 223 HG2 GLU 27 2HG GLU 27 4.790 -11.652 2.287 224 HG3 GLU 27 1HG GLU 27 6.241 -12.476 1.717 225 H LYS 28 H LYS 28 4.836 -11.257 -2.077 226 HA LYS 28 HA LYS 28 6.261 -9.501 -3.588 227 HB2 LYS 28 2HB LYS 28 3.790 -10.849 -4.674 228 HB3 LYS 28 1HB LYS 28 5.269 -10.448 -5.536 229 HG2 LYS 28 2HG LYS 28 5.912 -12.547 -5.187 230 HG3 LYS 28 1HG LYS 28 6.125 -12.105 -3.491 231 HD2 LYS 28 2HD LYS 28 4.750 -14.085 -3.639 232 HD3 LYS 28 1HD LYS 28 3.768 -12.731 -3.070 233 HE2 LYS 28 2HE LYS 28 2.328 -13.258 -4.686 234 HE3 LYS 28 1HE LYS 28 3.518 -12.624 -5.822 235 HZ1 LYS 28 3HZ LYS 28 2.566 -15.089 -5.961 236 HZ2 LYS 28 1HZ LYS 28 3.901 -15.371 -4.964 237 HZ3 LYS 28 2HZ LYS 28 4.118 -14.676 -6.490 238 H TYR 29 H TYR 29 2.894 -9.256 -2.649 239 HA TYR 29 HA TYR 29 2.293 -7.017 -4.309 240 HB2 TYR 29 2HB TYR 29 0.876 -8.722 -2.524 241 HB3 TYR 29 1HB TYR 29 0.603 -7.057 -2.008 242 HD1 TYR 29 1HD TYR 29 0.260 -5.475 -4.280 243 HD2 TYR 29 2HD TYR 29 -0.747 -9.574 -3.801 244 HE1 TYR 29 1HE TYR 29 -1.423 -5.265 -6.057 245 HE2 TYR 29 2HE TYR 29 -2.420 -9.381 -5.562 246 HH TYR 29 HH TYR 29 -2.584 -6.776 -7.686 247 H ILE 30 H ILE 30 3.285 -7.408 -0.921 248 HA ILE 30 HA ILE 30 3.108 -4.698 -0.205 249 HB ILE 30 HB ILE 30 3.449 -6.712 1.347 250 HG12 ILE 30 2HG1 ILE 30 3.373 -4.429 2.203 251 HG13 ILE 30 1HG1 ILE 30 4.586 -5.366 3.066 252 HG21 ILE 30 1HG2 ILE 30 6.135 -6.525 0.182 253 HG22 ILE 30 2HG2 ILE 30 5.311 -7.885 0.935 254 HG23 ILE 30 3HG2 ILE 30 6.089 -6.661 1.935 255 HD11 ILE 30 3HD1 ILE 30 5.797 -3.502 2.726 256 HD12 ILE 30 1HD1 ILE 30 4.907 -3.051 1.273 257 HD13 ILE 30 2HD1 ILE 30 6.148 -4.300 1.193 258 H LYS 31 H LYS 31 5.545 -6.544 -1.888 259 HA LYS 31 HA LYS 31 7.622 -4.619 -1.779 260 HB2 LYS 31 2HB LYS 31 7.856 -7.064 -2.407 261 HB3 LYS 31 1HB LYS 31 7.163 -6.644 -3.973 262 HG2 LYS 31 2HG LYS 31 9.430 -4.974 -3.159 263 HG3 LYS 31 1HG LYS 31 9.814 -6.672 -3.395 264 HD2 LYS 31 2HD LYS 31 8.166 -5.955 -5.549 265 HD3 LYS 31 1HD LYS 31 9.313 -4.628 -5.352 266 HE2 LYS 31 2HE LYS 31 11.151 -6.308 -5.345 267 HE3 LYS 31 1HE LYS 31 9.953 -7.544 -5.717 268 HZ1 LYS 31 3HZ LYS 31 10.399 -5.156 -7.411 269 HZ2 LYS 31 1HZ LYS 31 9.490 -6.530 -7.790 270 HZ3 LYS 31 2HZ LYS 31 11.171 -6.629 -7.672 271 H LEU 32 H LEU 32 4.822 -5.084 -3.802 272 HA LEU 32 HA LEU 32 5.570 -3.290 -5.877 273 HB2 LEU 32 2HB LEU 32 3.515 -5.091 -5.457 274 HB3 LEU 32 1HB LEU 32 2.695 -3.537 -5.381 275 HG LEU 32 HG LEU 32 3.638 -2.969 -7.605 276 HD11 LEU 32 1HD1 LEU 32 5.505 -4.815 -7.176 277 HD12 LEU 32 2HD1 LEU 32 5.012 -4.324 -8.795 278 HD13 LEU 32 3HD1 LEU 32 4.358 -5.798 -8.087 279 HD21 LEU 32 3HD2 LEU 32 2.242 -4.602 -8.883 280 HD22 LEU 32 1HD2 LEU 32 1.412 -3.831 -7.530 281 HD23 LEU 32 2HD2 LEU 32 2.002 -5.487 -7.377 282 H ILE 33 H ILE 33 4.015 -2.917 -2.763 283 HA ILE 33 HA ILE 33 3.095 -0.251 -3.240 284 HB ILE 33 HB ILE 33 2.230 -0.246 -1.113 285 HG12 ILE 33 2HG1 ILE 33 3.322 -2.065 0.579 286 HG13 ILE 33 1HG1 ILE 33 4.735 -1.640 -0.378 287 HG21 ILE 33 1HG2 ILE 33 1.737 -2.419 -2.537 288 HG22 ILE 33 2HG2 ILE 33 1.048 -2.176 -0.931 289 HG23 ILE 33 3HG2 ILE 33 2.468 -3.198 -1.135 290 HD11 ILE 33 3HD1 ILE 33 3.051 0.126 1.354 291 HD12 ILE 33 1HD1 ILE 33 4.132 0.782 0.125 292 HD13 ILE 33 2HD1 ILE 33 4.784 -0.190 1.444 293 H ALA 34 H ALA 34 6.041 -1.677 -2.048 294 HA ALA 34 HA ALA 34 7.196 0.407 -0.657 295 HB1 ALA 34 1HB ALA 34 8.261 -1.738 -0.762 296 HB2 ALA 34 2HB ALA 34 9.380 -0.529 -1.396 297 HB3 ALA 34 3HB ALA 34 8.502 -1.586 -2.503 298 H ASN 35 H ASN 35 6.719 0.066 -4.098 299 HA ASN 35 HA ASN 35 8.337 2.431 -4.651 300 HB2 ASN 35 2HB ASN 35 7.569 0.092 -6.139 301 HB3 ASN 35 1HB ASN 35 7.062 1.538 -7.015 302 HD21 ASN 35 1HD2 ASN 35 9.702 -0.384 -5.945 303 HD22 ASN 35 2HD2 ASN 35 10.953 0.495 -6.748 304 H ALA 36 H ALA 36 5.239 1.833 -3.699 305 HA ALA 36 HA ALA 36 3.592 3.324 -5.343 306 HB1 ALA 36 1HB ALA 36 3.076 1.905 -3.220 307 HB2 ALA 36 2HB ALA 36 2.026 3.249 -3.662 308 HB3 ALA 36 3HB ALA 36 3.227 3.452 -2.387 309 H LYS 37 H LYS 37 3.227 5.438 -5.678 310 HA LYS 37 HA LYS 37 4.932 7.338 -4.213 311 HB2 LYS 37 2HB LYS 37 5.078 7.128 -6.765 312 HB3 LYS 37 1HB LYS 37 3.503 7.923 -6.804 313 HG2 LYS 37 2HG LYS 37 4.992 9.545 -5.149 314 HG3 LYS 37 1HG LYS 37 6.149 9.037 -6.374 315 HD2 LYS 37 2HD LYS 37 5.299 10.712 -7.605 316 HD3 LYS 37 1HD LYS 37 3.938 9.616 -7.876 317 HE2 LYS 37 2HE LYS 37 3.021 10.605 -5.663 318 HE3 LYS 37 1HE LYS 37 4.165 11.911 -5.968 319 HZ1 LYS 37 3HZ LYS 37 2.368 11.091 -8.134 320 HZ2 LYS 37 1HZ LYS 37 3.017 12.616 -7.793 321 HZ3 LYS 37 2HZ LYS 37 1.727 12.017 -6.871 322 H THR 38 H THR 38 1.649 6.566 -5.077 323 HA THR 38 HA THR 38 0.673 8.962 -3.696 324 HB THR 38 HB THR 38 -1.238 7.104 -4.990 325 HG1 THR 38 1HG THR 38 0.375 7.095 -6.537 326 HG21 THR 38 3HG2 THR 38 -2.366 9.053 -5.660 327 HG22 THR 38 1HG2 THR 38 -0.958 10.066 -5.352 328 HG23 THR 38 2HG2 THR 38 -1.835 9.343 -4.005 329 H VAL 39 H VAL 39 -0.574 8.840 -1.872 330 HA VAL 39 HA VAL 39 -0.210 6.741 -0.096 331 HB VAL 39 HB VAL 39 -2.151 7.708 1.175 332 HG11 VAL 39 1HG1 VAL 39 0.377 8.602 0.933 333 HG12 VAL 39 2HG1 VAL 39 -0.809 9.305 2.033 334 HG13 VAL 39 3HG1 VAL 39 -0.511 10.049 0.463 335 HG21 VAL 39 3HG2 VAL 39 -2.663 10.106 0.061 336 HG22 VAL 39 1HG2 VAL 39 -3.678 8.682 -0.176 337 HG23 VAL 39 2HG2 VAL 39 -2.477 9.123 -1.391 338 H GLU 40 H GLU 40 -2.949 7.384 -2.250 339 HA GLU 40 HA GLU 40 -4.604 5.300 -1.360 340 HB2 GLU 40 2HB GLU 40 -4.575 7.209 -3.519 341 HB3 GLU 40 1HB GLU 40 -5.096 5.639 -4.110 342 HG2 GLU 40 2HG GLU 40 -7.114 6.029 -3.307 343 HG3 GLU 40 1HG GLU 40 -6.442 6.078 -1.676 344 H GLY 41 H GLY 41 -2.256 5.403 -4.031 345 HA2 GLY 41 2HA GLY 41 -2.651 2.843 -5.038 346 HA3 GLY 41 1HA GLY 41 -1.127 3.717 -5.104 347 H VAL 42 H VAL 42 -0.926 3.853 -2.169 348 HA VAL 42 HA VAL 42 0.332 1.281 -1.800 349 HB VAL 42 HB VAL 42 0.142 3.095 0.536 350 HG11 VAL 42 1HG1 VAL 42 1.552 1.032 0.422 351 HG12 VAL 42 2HG1 VAL 42 2.431 2.499 0.848 352 HG13 VAL 42 3HG1 VAL 42 2.549 1.850 -0.787 353 HG21 VAL 42 3HG2 VAL 42 2.173 4.354 -0.686 354 HG22 VAL 42 1HG2 VAL 42 0.510 4.942 -0.714 355 HG23 VAL 42 2HG2 VAL 42 1.145 4.028 -2.080 356 H TRP 43 H TRP 43 -2.240 3.120 -0.169 357 HA TRP 43 HA TRP 43 -2.950 1.132 1.683 358 HB2 TRP 43 2HB TRP 43 -4.565 3.370 0.459 359 HB3 TRP 43 1HB TRP 43 -5.165 2.347 1.752 360 HD1 TRP 43 HD TRP 43 -3.507 5.563 1.262 361 HE1 TRP 43 1HE TRP 43 -2.428 6.385 3.452 362 HE3 TRP 43 3HE TRP 43 -3.701 1.226 3.916 363 HZ2 TRP 43 2HZ TRP 43 -1.750 5.321 5.985 364 HZ3 TRP 43 3HZ TRP 43 -2.820 1.194 6.220 365 HH2 TRP 43 HH TRP 43 -1.864 3.204 7.231 366 H THR 44 H THR 44 -3.688 1.552 -1.685 367 HA THR 44 HA THR 44 -5.907 -0.247 -1.756 368 HB THR 44 HB THR 44 -4.141 0.739 -4.004 369 HG1 THR 44 1HG THR 44 -5.396 2.446 -4.081 370 HG21 THR 44 3HG2 THR 44 -6.185 -1.199 -4.057 371 HG22 THR 44 1HG2 THR 44 -5.349 -0.449 -5.416 372 HG23 THR 44 2HG2 THR 44 -6.830 0.270 -4.788 373 H LEU 45 H LEU 45 -2.475 -0.509 -2.664 374 HA LEU 45 HA LEU 45 -2.540 -3.121 -3.627 375 HB2 LEU 45 2HB LEU 45 -0.303 -1.638 -2.247 376 HB3 LEU 45 1HB LEU 45 -0.106 -3.200 -3.018 377 HD11 LEU 45 1HD2 LEU 45 1.741 -1.690 -4.401 378 HD12 LEU 45 2HD2 LEU 45 1.091 -0.336 -3.477 379 HD13 LEU 45 3HD2 LEU 45 1.072 -0.291 -5.240 380 HD21 LEU 45 3HD1 LEU 45 -1.517 -2.985 -5.540 381 HD22 LEU 45 1HD1 LEU 45 0.199 -3.369 -5.394 382 HD23 LEU 45 2HD1 LEU 45 -0.325 -2.063 -6.459 383 H LYS 46 H LYS 46 -1.769 -2.040 -0.304 384 HA LYS 46 HA LYS 46 -1.458 -4.613 0.792 385 HB2 LYS 46 2HB LYS 46 -2.013 -3.427 2.982 386 HB3 LYS 46 1HB LYS 46 -0.635 -2.819 2.077 387 HG2 LYS 46 2HG LYS 46 -1.546 -0.809 2.338 388 HG3 LYS 46 1HG LYS 46 -2.715 -1.300 1.114 389 HD2 LYS 46 2HD LYS 46 -4.078 -0.584 2.843 390 HD3 LYS 46 1HD LYS 46 -4.003 -2.326 3.119 391 HE2 LYS 46 2HE LYS 46 -2.233 -1.980 4.777 392 HE3 LYS 46 1HE LYS 46 -2.323 -0.241 4.508 393 HZ1 LYS 46 3HZ LYS 46 -4.609 -0.276 5.292 394 HZ2 LYS 46 1HZ LYS 46 -3.566 -0.898 6.469 395 HZ3 LYS 46 2HZ LYS 46 -4.522 -1.945 5.547 396 H ASP 47 H ASP 47 -4.262 -2.417 0.828 397 HA ASP 47 HA ASP 47 -6.036 -4.182 2.104 398 HB2 ASP 47 2HB ASP 47 -6.469 -1.777 0.344 399 HB3 ASP 47 1HB ASP 47 -7.808 -2.672 1.056 400 H GLU 48 H GLU 48 -4.960 -3.958 -1.171 401 HA GLU 48 HA GLU 48 -7.150 -5.307 -2.385 402 HB2 GLU 48 2HB GLU 48 -4.442 -4.432 -3.213 403 HB3 GLU 48 1HB GLU 48 -5.143 -5.763 -4.123 404 HG2 GLU 48 2HG GLU 48 -6.762 -3.308 -3.646 405 HG3 GLU 48 1HG GLU 48 -5.504 -3.297 -4.883 406 H ILE 49 H ILE 49 -4.242 -6.344 -0.766 407 HA ILE 49 HA ILE 49 -4.416 -9.052 -1.746 408 HB ILE 49 HB ILE 49 -2.814 -8.266 0.664 409 HG12 ILE 49 2HG1 ILE 49 -1.339 -8.139 -1.845 410 HG13 ILE 49 1HG1 ILE 49 -2.588 -6.905 -1.749 411 HG21 ILE 49 1HG2 ILE 49 -1.255 -9.951 -0.537 412 HG22 ILE 49 2HG2 ILE 49 -2.712 -10.393 -1.428 413 HG23 ILE 49 3HG2 ILE 49 -2.673 -10.545 0.328 414 HD11 ILE 49 3HD1 ILE 49 -1.536 -6.576 0.659 415 HD12 ILE 49 1HD1 ILE 49 -0.885 -5.778 -0.772 416 HD13 ILE 49 2HD1 ILE 49 -0.121 -7.244 -0.157 417 H LYS 50 H LYS 50 -5.383 -7.278 1.138 418 HA LYS 50 HA LYS 50 -6.071 -9.631 2.624 419 HB2 LYS 50 2HB LYS 50 -6.520 -6.697 3.006 420 HB3 LYS 50 1HB LYS 50 -7.407 -7.845 3.995 421 HG2 LYS 50 2HG LYS 50 -5.549 -7.316 5.281 422 HG3 LYS 50 1HG LYS 50 -5.117 -8.857 4.537 423 HD2 LYS 50 2HD LYS 50 -4.161 -7.168 2.678 424 HD3 LYS 50 1HD LYS 50 -3.993 -6.157 4.113 425 HE2 LYS 50 2HE LYS 50 -3.091 -8.813 4.696 426 HE3 LYS 50 1HE LYS 50 -2.294 -8.224 3.237 427 HZ1 LYS 50 3HZ LYS 50 -0.910 -7.376 4.800 428 HZ2 LYS 50 1HZ LYS 50 -2.112 -7.239 5.981 429 HZ3 LYS 50 2HZ LYS 50 -2.013 -6.097 4.737 430 H THR 51 H THR 51 -7.715 -7.561 0.360 431 HA THR 51 HA THR 51 -10.262 -8.909 0.913 432 HB THR 51 HB THR 51 -11.221 -7.153 -0.604 433 HG1 THR 51 1HG THR 51 -9.969 -5.623 -1.421 434 HG21 THR 51 3HG2 THR 51 -10.257 -5.209 1.062 435 HG22 THR 51 1HG2 THR 51 -10.054 -6.678 2.015 436 HG23 THR 51 2HG2 THR 51 -11.643 -6.251 1.383 437 H PHE 52 H PHE 52 -7.767 -8.541 -1.488 438 HA PHE 52 HA PHE 52 -7.345 -9.611 -3.450 439 HB2 PHE 52 2HB PHE 52 -8.258 -11.543 -1.779 440 HB3 PHE 52 1HB PHE 52 -9.435 -11.668 -3.083 441 HD1 PHE 52 1HD PHE 52 -8.749 -12.336 -5.319 442 HD2 PHE 52 2HD PHE 52 -5.958 -12.142 -2.113 443 HE1 PHE 52 1HE PHE 52 -7.154 -13.655 -6.634 444 HE2 PHE 52 2HE PHE 52 -4.355 -13.461 -3.424 445 HZ PHE 52 HZ PHE 52 -4.952 -14.221 -5.688 446 H THR 53 H THR 53 -9.602 -7.644 -3.172 447 HA THR 53 HA THR 53 -10.498 -7.731 -5.849 448 HB THR 53 HB THR 53 -11.999 -9.462 -5.174 449 HG1 THR 53 1HG THR 53 -12.990 -7.889 -6.447 450 HG21 THR 53 3HG2 THR 53 -13.546 -8.025 -3.189 451 HG22 THR 53 1HG2 THR 53 -11.907 -8.387 -2.650 452 HG23 THR 53 2HG2 THR 53 -12.964 -9.689 -3.192 453 H VAL 54 H VAL 54 -12.120 -5.982 -6.297 454 HA VAL 54 HA VAL 54 -11.993 -3.844 -4.279 455 HB VAL 54 HB VAL 54 -11.687 -3.352 -7.239 456 HG11 VAL 54 1HG1 VAL 54 -11.667 -1.166 -6.754 457 HG12 VAL 54 2HG1 VAL 54 -10.664 -1.397 -5.322 458 HG13 VAL 54 3HG1 VAL 54 -12.408 -1.643 -5.227 459 HG21 VAL 54 3HG2 VAL 54 -9.534 -3.523 -5.130 460 HG22 VAL 54 1HG2 VAL 54 -9.300 -2.951 -6.782 461 HG23 VAL 54 2HG2 VAL 54 -9.763 -4.626 -6.486 462 H THR 55 H THR 55 -14.162 -5.614 -4.743 463 HA THR 55 HA THR 55 -16.190 -3.660 -5.537 464 HB THR 55 HB THR 55 -15.802 -5.068 -7.515 465 HG1 THR 55 1HG THR 55 -18.252 -5.553 -6.179 466 HG21 THR 55 3HG2 THR 55 -15.028 -7.125 -6.629 467 HG22 THR 55 1HG2 THR 55 -16.562 -7.443 -7.441 468 HG23 THR 55 2HG2 THR 55 -16.500 -7.340 -5.680 469 H GLU 56 H GLU 56 -15.270 -4.669 -2.975 470 HA GLU 56 HA GLU 56 -17.407 -6.416 -2.056 471 HB2 GLU 56 2HB GLU 56 -14.821 -6.287 -1.331 472 HB3 GLU 56 1HB GLU 56 -15.508 -5.210 -0.124 473 HG2 GLU 56 2HG GLU 56 -16.718 -7.898 -0.589 474 HG3 GLU 56 1HG GLU 56 -15.260 -7.735 0.389 Start of MODEL 13 1 H1 THR 1 1HT THR 1 16.715 20.448 -8.066 2 H2 THR 1 2HT THR 1 16.462 20.160 -6.396 3 H3 THR 1 3HT THR 1 17.133 21.652 -6.918 4 HA THR 1 HA THR 1 14.874 21.939 -6.327 5 HB THR 1 HB THR 1 14.096 22.833 -8.536 6 HG1 THR 1 1HG THR 1 16.506 21.750 -9.551 7 HG21 THR 1 1HG2 THR 1 16.998 23.365 -7.938 8 HG22 THR 1 2HG2 THR 1 15.611 24.191 -7.213 9 HG23 THR 1 3HG2 THR 1 15.944 24.366 -8.938 10 H THR 2 H THR 2 12.596 21.598 -7.017 11 HA THR 2 HA THR 2 10.800 20.216 -7.244 12 HB THR 2 HB THR 2 10.648 18.963 -9.227 13 HG1 THR 2 1HG THR 2 13.465 18.844 -9.400 14 HG21 THR 2 3HG2 THR 2 11.967 20.235 -10.966 15 HG22 THR 2 1HG2 THR 2 12.621 21.179 -9.616 16 HG23 THR 2 2HG2 THR 2 10.887 21.180 -9.932 17 H TYR 3 H TYR 3 12.869 19.515 -5.310 18 HA TYR 3 HA TYR 3 13.168 16.668 -5.298 19 HB2 TYR 3 2HB TYR 3 13.703 18.842 -3.285 20 HB3 TYR 3 1HB TYR 3 13.854 17.140 -2.851 21 HD1 TYR 3 2HD TYR 3 15.082 15.949 -5.189 22 HD2 TYR 3 1HD TYR 3 15.840 19.727 -3.387 23 HE1 TYR 3 2HE TYR 3 17.365 15.924 -6.104 24 HE2 TYR 3 1HE TYR 3 18.126 19.712 -4.297 25 HH TYR 3 HH TYR 3 19.787 17.652 -5.058 26 H LYS 4 H LYS 4 12.486 15.488 -3.180 27 HA LYS 4 HA LYS 4 9.703 16.193 -2.539 28 HB2 LYS 4 2HB LYS 4 10.804 13.473 -3.263 29 HB3 LYS 4 1HB LYS 4 9.244 13.703 -2.484 30 HG2 LYS 4 2HG LYS 4 9.637 15.315 -4.898 31 HG3 LYS 4 1HG LYS 4 9.654 13.570 -5.162 32 HD2 LYS 4 2HD LYS 4 7.407 14.038 -5.367 33 HD3 LYS 4 1HD LYS 4 7.521 13.605 -3.660 34 HE2 LYS 4 2HE LYS 4 7.984 16.228 -3.461 35 HE3 LYS 4 1HE LYS 4 7.013 16.233 -4.931 36 HZ1 LYS 4 3HZ LYS 4 6.234 15.671 -2.201 37 HZ2 LYS 4 1HZ LYS 4 5.569 14.631 -3.359 38 HZ3 LYS 4 2HZ LYS 4 5.323 16.301 -3.478 39 H LEU 5 H LEU 5 8.952 14.620 -0.682 40 HA LEU 5 HA LEU 5 10.992 14.039 1.274 41 HB2 LEU 5 2HB LEU 5 9.901 16.624 1.185 42 HB3 LEU 5 1HB LEU 5 9.110 15.831 2.535 43 HG LEU 5 HG LEU 5 11.114 17.090 3.212 44 HD11 LEU 5 1HD1 LEU 5 11.821 15.550 4.765 45 HD12 LEU 5 2HD1 LEU 5 11.782 14.211 3.608 46 HD13 LEU 5 3HD1 LEU 5 10.278 14.858 4.259 47 HD21 LEU 5 3HD2 LEU 5 12.409 16.758 1.148 48 HD22 LEU 5 1HD2 LEU 5 12.629 15.061 1.577 49 HD23 LEU 5 2HD2 LEU 5 13.326 16.330 2.595 50 H ILE 6 H ILE 6 10.061 13.074 3.240 51 HA ILE 6 HA ILE 6 8.124 11.160 2.702 52 HB ILE 6 HB ILE 6 8.790 12.225 5.446 53 HG12 ILE 6 2HG1 ILE 6 10.174 9.802 4.582 54 HG13 ILE 6 1HG1 ILE 6 10.595 11.205 3.604 55 HG21 ILE 6 1HG2 ILE 6 7.794 10.392 6.321 56 HG22 ILE 6 2HG2 ILE 6 8.231 9.367 4.955 57 HG23 ILE 6 3HG2 ILE 6 6.862 10.471 4.822 58 HD11 ILE 6 3HD1 ILE 6 11.548 12.311 5.378 59 HD12 ILE 6 1HD1 ILE 6 11.967 10.635 5.727 60 HD13 ILE 6 2HD1 ILE 6 10.626 11.403 6.576 61 H LEU 7 H LEU 7 6.289 12.109 1.804 62 HA LEU 7 HA LEU 7 4.813 14.158 3.136 63 HB2 LEU 7 2HB LEU 7 4.541 12.555 0.687 64 HB3 LEU 7 1HB LEU 7 3.029 13.066 1.409 65 HG LEU 7 HG LEU 7 3.725 14.650 -0.288 66 HD11 LEU 7 1HD1 LEU 7 4.317 16.209 2.131 67 HD12 LEU 7 2HD1 LEU 7 2.828 15.278 2.165 68 HD13 LEU 7 3HD1 LEU 7 3.096 16.462 0.886 69 HD21 LEU 7 3HD2 LEU 7 6.098 14.306 -0.301 70 HD22 LEU 7 1HD2 LEU 7 6.236 14.882 1.358 71 HD23 LEU 7 2HD2 LEU 7 5.782 16.001 0.072 72 H ASN 8 H ASN 8 3.478 11.026 2.173 73 HA ASN 8 HA ASN 8 2.679 10.457 4.914 74 HB2 ASN 8 2HB ASN 8 0.865 11.873 3.936 75 HB3 ASN 8 1HB ASN 8 0.621 10.638 2.704 76 HD21 ASN 8 1HD2 ASN 8 -1.160 9.567 3.128 77 HD22 ASN 8 2HD2 ASN 8 -1.663 8.996 4.680 78 H LEU 9 H LEU 9 4.476 9.235 2.989 79 HA LEU 9 HA LEU 9 3.134 6.790 2.156 80 HB2 LEU 9 2HB LEU 9 5.971 7.779 1.852 81 HB3 LEU 9 1HB LEU 9 5.457 6.170 1.361 82 HG LEU 9 HG LEU 9 5.560 7.717 -0.539 83 HD11 LEU 9 1HD1 LEU 9 3.838 6.689 -1.515 84 HD12 LEU 9 2HD1 LEU 9 2.667 7.401 -0.404 85 HD13 LEU 9 3HD1 LEU 9 3.550 5.945 0.059 86 HD21 LEU 9 3HD2 LEU 9 3.195 9.211 0.475 87 HD22 LEU 9 1HD2 LEU 9 4.443 9.708 -0.669 88 HD23 LEU 9 2HD2 LEU 9 4.795 9.668 1.059 89 H LYS 10 H LYS 10 5.643 7.887 4.342 90 HA LYS 10 HA LYS 10 6.580 5.606 5.484 91 HB2 LYS 10 2HB LYS 10 6.580 8.332 6.061 92 HB3 LYS 10 1HB LYS 10 5.936 7.578 7.515 93 HG2 LYS 10 2HG LYS 10 8.335 7.823 7.697 94 HG3 LYS 10 1HG LYS 10 7.904 6.110 7.612 95 HD2 LYS 10 2HD LYS 10 8.284 6.517 5.021 96 HD3 LYS 10 1HD LYS 10 9.311 7.820 5.626 97 HE2 LYS 10 2HE LYS 10 10.921 6.370 6.103 98 HE3 LYS 10 1HE LYS 10 9.826 5.457 7.141 99 HZ1 LYS 10 3HZ LYS 10 9.097 4.194 5.256 100 HZ2 LYS 10 1HZ LYS 10 10.782 4.115 5.344 101 HZ3 LYS 10 2HZ LYS 10 10.042 5.119 4.204 102 H GLN 11 H GLN 11 3.499 7.175 6.039 103 HA GLN 11 HA GLN 11 2.682 5.518 8.209 104 HB2 GLN 11 2HB GLN 11 1.705 7.704 7.961 105 HB3 GLN 11 1HB GLN 11 1.154 7.327 6.333 106 HG2 GLN 11 2HG GLN 11 -0.383 5.653 7.255 107 HG3 GLN 11 1HG GLN 11 0.165 6.061 8.882 108 HE21 GLN 11 1HE2 GLN 11 -0.859 7.620 9.935 109 HE22 GLN 11 2HE2 GLN 11 -1.987 8.729 9.243 110 H ALA 12 H ALA 12 2.113 5.524 4.718 111 HA ALA 12 HA ALA 12 0.332 3.304 4.723 112 HB1 ALA 12 1HB ALA 12 1.819 3.691 2.249 113 HB2 ALA 12 2HB ALA 12 1.112 5.182 2.869 114 HB3 ALA 12 3HB ALA 12 0.084 3.783 2.555 115 H LYS 13 H LYS 13 3.799 3.671 4.051 116 HA LYS 13 HA LYS 13 4.319 0.993 3.387 117 HB2 LYS 13 2HB LYS 13 6.169 3.015 4.674 118 HB3 LYS 13 1HB LYS 13 6.673 1.520 3.895 119 HG2 LYS 13 2HG LYS 13 5.175 2.739 1.946 120 HG3 LYS 13 1HG LYS 13 5.981 4.098 2.733 121 HD2 LYS 13 2HD LYS 13 7.735 1.807 2.246 122 HD3 LYS 13 1HD LYS 13 7.068 2.516 0.773 123 HE2 LYS 13 2HE LYS 13 8.497 4.046 2.945 124 HE3 LYS 13 1HE LYS 13 9.230 3.515 1.433 125 HZ1 LYS 13 3HZ LYS 13 7.393 5.705 1.933 126 HZ2 LYS 13 1HZ LYS 13 7.106 4.824 0.517 127 HZ3 LYS 13 2HZ LYS 13 8.611 5.557 0.768 128 H GLU 14 H GLU 14 4.146 2.662 6.467 129 HA GLU 14 HA GLU 14 5.159 0.464 8.009 130 HB2 GLU 14 2HB GLU 14 5.257 2.828 8.811 131 HB3 GLU 14 1HB GLU 14 3.503 2.809 8.981 132 HG2 GLU 14 2HG GLU 14 4.107 0.647 10.434 133 HG3 GLU 14 1HG GLU 14 5.589 1.574 10.656 134 H GLU 15 H GLU 15 2.001 1.562 6.975 135 HA GLU 15 HA GLU 15 0.559 -0.290 8.633 136 HB2 GLU 15 2HB GLU 15 -0.080 1.973 7.063 137 HB3 GLU 15 1HB GLU 15 -0.987 0.626 6.389 138 HG2 GLU 15 2HG GLU 15 -2.380 1.634 7.995 139 HG3 GLU 15 1HG GLU 15 -1.791 0.139 8.719 140 H ALA 16 H ALA 16 1.670 -0.160 5.298 141 HA ALA 16 HA ALA 16 0.292 -2.399 4.313 142 HB1 ALA 16 1HB ALA 16 1.348 -0.861 2.795 143 HB2 ALA 16 2HB ALA 16 2.070 -2.455 2.573 144 HB3 ALA 16 3HB ALA 16 2.936 -1.213 3.475 145 H ILE 17 H ILE 17 3.550 -2.110 5.701 146 HA ILE 17 HA ILE 17 4.221 -4.835 5.509 147 HB ILE 17 HB ILE 17 5.993 -3.265 5.847 148 HG12 ILE 17 2HG1 ILE 17 7.218 -4.315 7.665 149 HG13 ILE 17 1HG1 ILE 17 5.716 -4.821 8.437 150 HG21 ILE 17 1HG2 ILE 17 4.334 -1.822 7.362 151 HG22 ILE 17 2HG2 ILE 17 6.085 -1.636 7.423 152 HG23 ILE 17 3HG2 ILE 17 5.258 -2.606 8.641 153 HD11 ILE 17 3HD1 ILE 17 6.857 -5.837 5.853 154 HD12 ILE 17 1HD1 ILE 17 5.253 -6.245 6.463 155 HD13 ILE 17 2HD1 ILE 17 6.690 -6.711 7.376 156 H LYS 18 H LYS 18 2.961 -2.944 8.220 157 HA LYS 18 HA LYS 18 2.840 -4.871 10.183 158 HB2 LYS 18 2HB LYS 18 2.371 -2.506 10.599 159 HB3 LYS 18 1HB LYS 18 0.883 -2.624 9.667 160 HG2 LYS 18 2HG LYS 18 -0.223 -3.768 11.314 161 HG3 LYS 18 1HG LYS 18 1.260 -4.435 11.998 162 HD2 LYS 18 2HD LYS 18 0.978 -2.871 13.588 163 HD3 LYS 18 1HD LYS 18 1.641 -1.767 12.381 164 HE2 LYS 18 2HE LYS 18 -0.638 -1.245 11.629 165 HE3 LYS 18 1HE LYS 18 -1.284 -2.327 12.864 166 HZ1 LYS 18 3HZ LYS 18 -0.761 -0.882 14.534 167 HZ2 LYS 18 1HZ LYS 18 -1.081 0.226 13.295 168 HZ3 LYS 18 2HZ LYS 18 0.516 -0.166 13.691 169 H GLU 19 H GLU 19 0.342 -4.060 7.771 170 HA GLU 19 HA GLU 19 -1.531 -5.966 8.608 171 HB2 GLU 19 2HB GLU 19 -1.037 -4.915 5.810 172 HB3 GLU 19 1HB GLU 19 -2.478 -5.776 6.330 173 HG2 GLU 19 2HG GLU 19 -1.694 -3.318 7.801 174 HG3 GLU 19 1HG GLU 19 -2.408 -3.153 6.197 175 H LEU 20 H LEU 20 1.157 -6.150 6.324 176 HA LEU 20 HA LEU 20 0.707 -8.842 5.557 177 HB2 LEU 20 2HB LEU 20 2.439 -6.800 4.859 178 HB3 LEU 20 1HB LEU 20 3.497 -8.002 5.582 179 HG LEU 20 HG LEU 20 2.108 -9.618 3.964 180 HD11 LEU 20 1HD1 LEU 20 0.660 -8.388 2.792 181 HD12 LEU 20 2HD1 LEU 20 2.071 -8.006 1.800 182 HD13 LEU 20 3HD1 LEU 20 1.542 -6.883 3.063 183 HD21 LEU 20 3HD2 LEU 20 4.653 -8.522 4.013 184 HD22 LEU 20 1HD2 LEU 20 4.073 -8.179 2.386 185 HD23 LEU 20 2HD2 LEU 20 4.099 -9.837 2.979 186 H VAL 21 H VAL 21 2.225 -7.253 8.244 187 HA VAL 21 HA VAL 21 3.647 -9.525 9.216 188 HB VAL 21 HB VAL 21 2.878 -7.069 10.801 189 HG11 VAL 21 1HG1 VAL 21 4.830 -9.301 11.226 190 HG12 VAL 21 2HG1 VAL 21 3.574 -8.701 12.311 191 HG13 VAL 21 3HG1 VAL 21 5.023 -7.742 12.019 192 HG21 VAL 21 3HG2 VAL 21 5.587 -6.963 10.064 193 HG22 VAL 21 1HG2 VAL 21 4.288 -5.918 9.512 194 HG23 VAL 21 2HG2 VAL 21 4.702 -7.364 8.595 195 H ASP 22 H ASP 22 0.463 -8.118 9.808 196 HA ASP 22 HA ASP 22 -0.050 -10.049 11.932 197 HB2 ASP 22 2HB ASP 22 -2.207 -8.893 12.189 198 HB3 ASP 22 1HB ASP 22 -0.851 -7.774 12.268 199 H ALA 23 H ALA 23 -0.505 -9.774 8.555 200 HA ALA 23 HA ALA 23 -2.488 -11.951 8.612 201 HB1 ALA 23 1HB ALA 23 -1.981 -10.131 6.278 202 HB2 ALA 23 2HB ALA 23 -3.159 -9.767 7.539 203 HB3 ALA 23 3HB ALA 23 -3.348 -11.213 6.546 204 H GLY 24 H GLY 24 0.183 -10.711 6.591 205 HA2 GLY 24 2HA GLY 24 2.097 -12.133 6.120 206 HA3 GLY 24 1HA GLY 24 0.999 -13.509 6.145 207 H THR 25 H THR 25 -0.516 -13.746 4.406 208 HA THR 25 HA THR 25 -0.826 -14.032 2.156 209 HB THR 25 HB THR 25 -1.993 -11.875 2.852 210 HG1 THR 25 1HG THR 25 -2.861 -12.104 0.977 211 HG21 THR 25 3HG2 THR 25 -0.131 -10.352 2.949 212 HG22 THR 25 1HG2 THR 25 -1.246 -9.849 1.679 213 HG23 THR 25 2HG2 THR 25 0.258 -10.667 1.257 214 H ALA 26 H ALA 26 -0.163 -12.605 -0.068 215 HA ALA 26 HA ALA 26 2.528 -13.458 -0.524 216 HB1 ALA 26 1HB ALA 26 2.037 -13.255 -2.723 217 HB2 ALA 26 2HB ALA 26 1.208 -11.713 -2.504 218 HB3 ALA 26 3HB ALA 26 0.381 -13.223 -2.114 219 H GLU 27 H GLU 27 4.131 -12.305 0.374 220 HA GLU 27 HA GLU 27 4.024 -9.577 0.999 221 HB2 GLU 27 2HB GLU 27 6.561 -9.799 1.143 222 HB3 GLU 27 1HB GLU 27 5.609 -10.860 2.167 223 HG2 GLU 27 2HG GLU 27 6.468 -12.678 1.227 224 HG3 GLU 27 1HG GLU 27 6.149 -12.075 -0.396 225 H LYS 28 H LYS 28 4.963 -11.233 -1.936 226 HA LYS 28 HA LYS 28 6.501 -9.426 -3.268 227 HB2 LYS 28 2HB LYS 28 5.221 -10.157 -5.359 228 HB3 LYS 28 1HB LYS 28 5.992 -11.419 -4.405 229 HG2 LYS 28 2HG LYS 28 3.370 -11.081 -3.400 230 HG3 LYS 28 1HG LYS 28 3.263 -11.163 -5.159 231 HD2 LYS 28 2HD LYS 28 5.028 -13.166 -4.638 232 HD3 LYS 28 1HD LYS 28 3.993 -13.231 -3.209 233 HE2 LYS 28 2HE LYS 28 2.067 -13.089 -4.977 234 HE3 LYS 28 1HE LYS 28 3.309 -13.686 -6.077 235 HZ1 LYS 28 3HZ LYS 28 1.773 -15.298 -4.705 236 HZ2 LYS 28 1HZ LYS 28 2.972 -15.073 -3.533 237 HZ3 LYS 28 2HZ LYS 28 3.382 -15.688 -5.053 238 H TYR 29 H TYR 29 3.098 -9.162 -2.506 239 HA TYR 29 HA TYR 29 2.576 -6.941 -4.210 240 HB2 TYR 29 2HB TYR 29 1.087 -8.591 -2.411 241 HB3 TYR 29 1HB TYR 29 0.779 -6.898 -2.016 242 HD1 TYR 29 2HD TYR 29 0.342 -5.402 -4.216 243 HD2 TYR 29 1HD TYR 29 -0.242 -9.598 -3.904 244 HE1 TYR 29 2HE TYR 29 -1.239 -5.318 -6.095 245 HE2 TYR 29 1HE TYR 29 -1.814 -9.530 -5.767 246 HH TYR 29 HH TYR 29 -2.027 -7.355 -7.933 247 H ILE 30 H ILE 30 3.487 -7.278 -0.791 248 HA ILE 30 HA ILE 30 3.267 -4.580 -0.081 249 HB ILE 30 HB ILE 30 3.741 -6.593 1.454 250 HG12 ILE 30 2HG1 ILE 30 3.591 -4.292 2.300 251 HG13 ILE 30 1HG1 ILE 30 4.828 -5.204 3.154 252 HG21 ILE 30 1HG2 ILE 30 5.716 -7.599 1.470 253 HG22 ILE 30 2HG2 ILE 30 6.566 -6.062 1.630 254 HG23 ILE 30 3HG2 ILE 30 6.137 -6.669 0.035 255 HD11 ILE 30 3HD1 ILE 30 6.329 -4.088 1.232 256 HD12 ILE 30 1HD1 ILE 30 6.037 -3.352 2.807 257 HD13 ILE 30 2HD1 ILE 30 5.081 -2.856 1.411 258 H LYS 31 H LYS 31 5.678 -6.344 -1.855 259 HA LYS 31 HA LYS 31 7.702 -4.349 -1.842 260 HB2 LYS 31 2HB LYS 31 8.130 -6.730 -2.394 261 HB3 LYS 31 1HB LYS 31 7.170 -6.543 -3.860 262 HG2 LYS 31 2HG LYS 31 9.004 -5.938 -4.938 263 HG3 LYS 31 1HG LYS 31 9.101 -4.502 -3.919 264 HD2 LYS 31 2HD LYS 31 11.189 -5.725 -3.819 265 HD3 LYS 31 1HD LYS 31 10.375 -5.800 -2.254 266 HE2 LYS 31 2HE LYS 31 10.771 -8.006 -2.396 267 HE3 LYS 31 1HE LYS 31 9.380 -8.013 -3.478 268 HZ1 LYS 31 3HZ LYS 31 11.337 -7.404 -5.178 269 HZ2 LYS 31 1HZ LYS 31 10.834 -8.990 -4.862 270 HZ3 LYS 31 2HZ LYS 31 12.192 -8.363 -4.076 271 H LEU 32 H LEU 32 4.842 -4.990 -3.720 272 HA LEU 32 HA LEU 32 5.408 -3.176 -5.850 273 HB2 LEU 32 2HB LEU 32 3.526 -5.143 -5.384 274 HB3 LEU 32 1HB LEU 32 2.573 -3.671 -5.270 275 HG LEU 32 HG LEU 32 3.767 -3.088 -7.545 276 HD11 LEU 32 1HD1 LEU 32 5.006 -5.439 -7.140 277 HD12 LEU 32 2HD1 LEU 32 4.698 -4.758 -8.738 278 HD13 LEU 32 3HD1 LEU 32 3.614 -5.983 -8.075 279 HD21 LEU 32 3HD2 LEU 32 1.884 -4.024 -8.727 280 HD22 LEU 32 1HD2 LEU 32 1.346 -3.410 -7.164 281 HD23 LEU 32 2HD2 LEU 32 1.565 -5.143 -7.402 282 H ILE 33 H ILE 33 3.891 -2.918 -2.701 283 HA ILE 33 HA ILE 33 2.705 -0.372 -3.164 284 HB ILE 33 HB ILE 33 2.059 -0.337 -0.926 285 HG12 ILE 33 2HG1 ILE 33 3.407 -2.420 0.412 286 HG13 ILE 33 1HG1 ILE 33 4.649 -1.507 -0.431 287 HG21 ILE 33 1HG2 ILE 33 2.189 -3.267 -0.982 288 HG22 ILE 33 2HG2 ILE 33 1.536 -2.512 -2.433 289 HG23 ILE 33 3HG2 ILE 33 0.800 -2.189 -0.863 290 HD11 ILE 33 3HD1 ILE 33 4.123 -0.791 1.926 291 HD12 ILE 33 1HD1 ILE 33 2.585 -0.195 1.301 292 HD13 ILE 33 2HD1 ILE 33 4.100 0.478 0.702 293 H ALA 34 H ALA 34 5.852 -1.434 -2.114 294 HA ALA 34 HA ALA 34 6.815 0.846 -0.857 295 HB1 ALA 34 1HB ALA 34 8.359 -0.800 -0.692 296 HB2 ALA 34 2HB ALA 34 9.038 0.009 -2.103 297 HB3 ALA 34 3HB ALA 34 8.030 -1.423 -2.309 298 H ASN 35 H ASN 35 6.273 0.216 -4.246 299 HA ASN 35 HA ASN 35 7.499 2.784 -4.967 300 HB2 ASN 35 2HB ASN 35 7.524 0.251 -6.207 301 HB3 ASN 35 1HB ASN 35 6.541 1.292 -7.240 302 HD21 ASN 35 1HD2 ASN 35 9.690 0.598 -6.045 303 HD22 ASN 35 2HD2 ASN 35 10.547 1.746 -7.010 304 H ALA 36 H ALA 36 4.554 1.597 -4.108 305 HA ALA 36 HA ALA 36 2.604 2.286 -5.803 306 HB1 ALA 36 1HB ALA 36 2.622 3.091 -2.903 307 HB2 ALA 36 2HB ALA 36 2.247 1.480 -3.512 308 HB3 ALA 36 3HB ALA 36 1.203 2.840 -3.917 309 H LYS 37 H LYS 37 4.681 4.569 -4.131 310 HA LYS 37 HA LYS 37 5.054 6.792 -4.436 311 HB2 LYS 37 2HB LYS 37 3.832 5.954 -6.978 312 HB3 LYS 37 1HB LYS 37 3.645 7.670 -6.617 313 HG2 LYS 37 2HG LYS 37 6.251 7.379 -6.064 314 HG3 LYS 37 1HG LYS 37 6.063 6.119 -7.284 315 HD2 LYS 37 2HD LYS 37 5.705 7.602 -8.951 316 HD3 LYS 37 1HD LYS 37 4.805 8.710 -7.913 317 HE2 LYS 37 2HE LYS 37 7.751 8.373 -7.550 318 HE3 LYS 37 1HE LYS 37 7.132 9.411 -8.835 319 HZ1 LYS 37 3HZ LYS 37 6.867 9.722 -5.917 320 HZ2 LYS 37 1HZ LYS 37 5.753 10.453 -6.958 321 HZ3 LYS 37 2HZ LYS 37 7.388 10.848 -7.058 322 H THR 38 H THR 38 1.740 6.512 -5.718 323 HA THR 38 HA THR 38 0.825 8.739 -4.195 324 HB THR 38 HB THR 38 -1.313 8.329 -5.159 325 HG1 THR 38 1HG THR 38 -0.355 5.708 -5.618 326 HG21 THR 38 3HG2 THR 38 -0.498 9.003 -7.102 327 HG22 THR 38 1HG2 THR 38 -0.372 7.302 -7.549 328 HG23 THR 38 2HG2 THR 38 1.016 8.134 -6.847 329 H VAL 39 H VAL 39 -0.012 8.812 -2.201 330 HA VAL 39 HA VAL 39 0.249 6.784 -0.354 331 HB VAL 39 HB VAL 39 -1.476 8.030 1.015 332 HG11 VAL 39 1HG1 VAL 39 0.038 10.237 0.804 333 HG12 VAL 39 2HG1 VAL 39 1.062 9.087 -0.055 334 HG13 VAL 39 3HG1 VAL 39 0.576 8.764 1.609 335 HG21 VAL 39 3HG2 VAL 39 -1.732 10.437 -0.161 336 HG22 VAL 39 1HG2 VAL 39 -2.947 9.164 -0.268 337 HG23 VAL 39 2HG2 VAL 39 -1.792 9.394 -1.580 338 H GLU 40 H GLU 40 -2.753 7.720 -2.046 339 HA GLU 40 HA GLU 40 -4.422 5.797 -0.915 340 HB2 GLU 40 2HB GLU 40 -4.542 7.682 -3.084 341 HB3 GLU 40 1HB GLU 40 -5.276 6.163 -3.579 342 HG2 GLU 40 2HG GLU 40 -7.117 6.985 -2.626 343 HG3 GLU 40 1HG GLU 40 -6.356 6.497 -1.112 344 H GLY 41 H GLY 41 -2.480 5.625 -3.889 345 HA2 GLY 41 2HA GLY 41 -3.293 3.113 -4.767 346 HA3 GLY 41 1HA GLY 41 -1.723 3.828 -5.094 347 H VAL 42 H VAL 42 -1.163 3.944 -2.147 348 HA VAL 42 HA VAL 42 0.048 1.345 -1.970 349 HB VAL 42 HB VAL 42 0.015 3.141 0.409 350 HG11 VAL 42 1HG1 VAL 42 1.280 1.000 0.330 351 HG12 VAL 42 2HG1 VAL 42 2.285 2.412 0.654 352 HG13 VAL 42 3HG1 VAL 42 2.280 1.687 -0.955 353 HG21 VAL 42 3HG2 VAL 42 0.940 3.975 -2.252 354 HG22 VAL 42 1HG2 VAL 42 2.108 4.200 -0.951 355 HG23 VAL 42 2HG2 VAL 42 0.514 4.942 -0.842 356 H TRP 43 H TRP 43 -2.379 3.106 -0.051 357 HA TRP 43 HA TRP 43 -2.927 1.109 1.815 358 HB2 TRP 43 2HB TRP 43 -4.243 3.554 0.876 359 HB3 TRP 43 1HB TRP 43 -5.369 2.334 1.452 360 HD1 TRP 43 HD TRP 43 -5.464 1.850 4.019 361 HE1 TRP 43 1HE TRP 43 -4.454 3.011 6.080 362 HE3 TRP 43 3HE TRP 43 -2.045 4.872 1.681 363 HZ2 TRP 43 2HZ TRP 43 -2.481 4.940 6.642 364 HZ3 TRP 43 3HZ TRP 43 -0.645 6.341 3.061 365 HH2 TRP 43 HH TRP 43 -0.857 6.375 5.489 366 H THR 44 H THR 44 -4.063 1.516 -1.478 367 HA THR 44 HA THR 44 -6.104 -0.478 -1.294 368 HB THR 44 HB THR 44 -6.325 1.269 -2.941 369 HG1 THR 44 1HG THR 44 -6.692 -0.027 -4.766 370 HG21 THR 44 3HG2 THR 44 -4.121 1.875 -3.500 371 HG22 THR 44 1HG2 THR 44 -4.856 1.242 -4.974 372 HG23 THR 44 2HG2 THR 44 -3.732 0.246 -4.049 373 H LEU 45 H LEU 45 -2.747 -0.442 -2.425 374 HA LEU 45 HA LEU 45 -2.703 -2.972 -3.607 375 HB2 LEU 45 2HB LEU 45 -0.486 -1.486 -2.197 376 HB3 LEU 45 1HB LEU 45 -0.252 -2.939 -3.150 377 HD11 LEU 45 1HD2 LEU 45 0.898 -0.794 -5.645 378 HD12 LEU 45 2HD2 LEU 45 1.365 -1.700 -4.207 379 HD13 LEU 45 3HD2 LEU 45 1.022 0.025 -4.087 380 HD21 LEU 45 3HD1 LEU 45 -0.797 -1.667 -6.385 381 HD22 LEU 45 1HD1 LEU 45 -2.372 -1.554 -5.604 382 HD23 LEU 45 2HD1 LEU 45 -1.352 -2.967 -5.330 383 H LYS 46 H LYS 46 -1.875 -2.091 -0.238 384 HA LYS 46 HA LYS 46 -1.374 -4.730 0.627 385 HB2 LYS 46 2HB LYS 46 -2.111 -3.629 2.932 386 HB3 LYS 46 1HB LYS 46 -0.565 -3.273 2.182 387 HG2 LYS 46 2HG LYS 46 -1.150 -1.139 1.663 388 HG3 LYS 46 1HG LYS 46 -2.859 -1.533 1.480 389 HD2 LYS 46 2HD LYS 46 -1.645 -1.755 4.186 390 HD3 LYS 46 1HD LYS 46 -1.966 -0.143 3.545 391 HE2 LYS 46 2HE LYS 46 -4.301 -0.732 3.189 392 HE3 LYS 46 1HE LYS 46 -3.990 -2.364 3.776 393 HZ1 LYS 46 3HZ LYS 46 -3.235 -0.203 5.564 394 HZ2 LYS 46 1HZ LYS 46 -3.967 -1.688 5.909 395 HZ3 LYS 46 2HZ LYS 46 -4.896 -0.405 5.319 396 H ASP 47 H ASP 47 -4.281 -2.700 1.030 397 HA ASP 47 HA ASP 47 -5.883 -4.690 2.195 398 HB2 ASP 47 2HB ASP 47 -6.182 -2.019 1.687 399 HB3 ASP 47 1HB ASP 47 -7.296 -2.722 0.519 400 H GLU 48 H GLU 48 -5.036 -4.021 -1.108 401 HA GLU 48 HA GLU 48 -7.127 -5.361 -2.416 402 HB2 GLU 48 2HB GLU 48 -4.400 -4.460 -3.125 403 HB3 GLU 48 1HB GLU 48 -5.048 -5.766 -4.105 404 HG2 GLU 48 2HG GLU 48 -6.882 -4.457 -4.813 405 HG3 GLU 48 1HG GLU 48 -6.545 -3.211 -3.611 406 H ILE 49 H ILE 49 -4.053 -6.502 -1.104 407 HA ILE 49 HA ILE 49 -4.330 -9.162 -2.091 408 HB ILE 49 HB ILE 49 -2.732 -8.510 0.363 409 HG12 ILE 49 2HG1 ILE 49 -1.157 -8.276 -2.035 410 HG13 ILE 49 1HG1 ILE 49 -2.469 -7.105 -2.073 411 HG21 ILE 49 1HG2 ILE 49 -1.354 -10.292 -0.335 412 HG22 ILE 49 2HG2 ILE 49 -2.058 -10.307 -1.950 413 HG23 ILE 49 3HG2 ILE 49 -3.012 -10.845 -0.568 414 HD11 ILE 49 3HD1 ILE 49 -0.896 -5.887 -0.987 415 HD12 ILE 49 1HD1 ILE 49 -0.144 -7.302 -0.254 416 HD13 ILE 49 2HD1 ILE 49 -1.653 -6.669 0.401 417 H LYS 50 H LYS 50 -5.222 -7.516 0.891 418 HA LYS 50 HA LYS 50 -5.888 -9.788 2.408 419 HB2 LYS 50 2HB LYS 50 -7.235 -7.091 2.591 420 HB3 LYS 50 1HB LYS 50 -7.092 -8.300 3.858 421 HG2 LYS 50 2HG LYS 50 -4.891 -6.628 2.676 422 HG3 LYS 50 1HG LYS 50 -5.538 -6.554 4.316 423 HD2 LYS 50 2HD LYS 50 -4.806 -9.049 4.430 424 HD3 LYS 50 1HD LYS 50 -3.775 -8.623 3.063 425 HE2 LYS 50 2HE LYS 50 -2.331 -8.156 4.760 426 HE3 LYS 50 1HE LYS 50 -3.149 -6.597 4.652 427 HZ1 LYS 50 3HZ LYS 50 -4.324 -8.599 6.419 428 HZ2 LYS 50 1HZ LYS 50 -4.220 -6.919 6.604 429 HZ3 LYS 50 2HZ LYS 50 -2.873 -7.891 6.924 430 H THR 51 H THR 51 -7.602 -8.071 -0.093 431 HA THR 51 HA THR 51 -10.069 -9.538 0.426 432 HB THR 51 HB THR 51 -10.638 -8.158 -1.802 433 HG1 THR 51 1HG THR 51 -9.528 -6.170 -1.706 434 HG21 THR 51 3HG2 THR 51 -11.432 -7.926 0.724 435 HG22 THR 51 1HG2 THR 51 -11.839 -6.744 -0.519 436 HG23 THR 51 2HG2 THR 51 -10.502 -6.434 0.588 437 H PHE 52 H PHE 52 -7.249 -9.857 -1.447 438 HA PHE 52 HA PHE 52 -8.557 -11.490 -3.483 439 HB2 PHE 52 2HB PHE 52 -6.385 -9.776 -3.569 440 HB3 PHE 52 1HB PHE 52 -5.643 -11.372 -3.578 441 HD1 PHE 52 1HD PHE 52 -6.035 -12.914 -5.419 442 HD2 PHE 52 2HD PHE 52 -7.716 -9.005 -5.412 443 HE1 PHE 52 1HE PHE 52 -6.517 -13.121 -7.823 444 HE2 PHE 52 2HE PHE 52 -8.204 -9.206 -7.815 445 HZ PHE 52 HZ PHE 52 -7.603 -11.265 -9.023 446 H THR 53 H THR 53 -8.209 -12.262 -0.583 447 HA THR 53 HA THR 53 -6.300 -14.379 -0.513 448 HB THR 53 HB THR 53 -6.962 -13.313 1.549 449 HG1 THR 53 1HG THR 53 -7.392 -15.145 2.742 450 HG21 THR 53 3HG2 THR 53 -9.212 -13.688 2.512 451 HG22 THR 53 1HG2 THR 53 -9.739 -14.290 0.941 452 HG23 THR 53 2HG2 THR 53 -9.203 -12.618 1.110 453 H VAL 54 H VAL 54 -9.784 -14.194 -1.075 454 HA VAL 54 HA VAL 54 -11.279 -15.682 -1.930 455 HB VAL 54 HB VAL 54 -8.886 -17.156 -3.031 456 HG11 VAL 54 1HG1 VAL 54 -10.687 -17.476 -4.907 457 HG12 VAL 54 2HG1 VAL 54 -11.815 -17.161 -3.588 458 HG13 VAL 54 3HG1 VAL 54 -10.685 -18.512 -3.479 459 HG21 VAL 54 3HG2 VAL 54 -9.051 -15.749 -4.999 460 HG22 VAL 54 1HG2 VAL 54 -8.770 -14.754 -3.571 461 HG23 VAL 54 2HG2 VAL 54 -10.384 -14.850 -4.273 462 H THR 55 H THR 55 -11.960 -16.488 0.073 463 HA THR 55 HA THR 55 -11.280 -19.272 0.510 464 HB THR 55 HB THR 55 -11.066 -18.818 3.013 465 HG1 THR 55 1HG THR 55 -11.618 -16.777 3.332 466 HG21 THR 55 3HG2 THR 55 -8.709 -18.142 2.909 467 HG22 THR 55 1HG2 THR 55 -8.913 -17.757 1.198 468 HG23 THR 55 2HG2 THR 55 -9.100 -19.423 1.761 469 H GLU 56 H GLU 56 -12.918 -20.453 1.461 470 HA GLU 56 HA GLU 56 -15.370 -18.981 2.145 471 HB2 GLU 56 2HB GLU 56 -14.991 -21.294 0.294 472 HB3 GLU 56 1HB GLU 56 -16.493 -21.164 1.195 473 HG2 GLU 56 2HG GLU 56 -15.400 -18.942 -0.503 474 HG3 GLU 56 1HG GLU 56 -16.479 -20.192 -1.127 Start of MODEL 14 1 H1 THR 1 1HT THR 1 12.284 12.940 -6.770 2 H2 THR 1 2HT THR 1 10.603 12.832 -7.096 3 H3 THR 1 3HT THR 1 11.382 11.625 -6.154 4 HA THR 1 HA THR 1 10.268 12.927 -4.649 5 HB THR 1 HB THR 1 12.221 14.169 -3.549 6 HG1 THR 1 1HG THR 1 13.347 14.515 -5.554 7 HG21 THR 1 1HG2 THR 1 13.587 12.024 -3.287 8 HG22 THR 1 2HG2 THR 1 12.342 11.276 -4.275 9 HG23 THR 1 3HG2 THR 1 11.918 12.018 -2.735 10 H THR 2 H THR 2 8.947 14.612 -4.526 11 HA THR 2 HA THR 2 9.114 16.797 -6.343 12 HB THR 2 HB THR 2 7.146 17.668 -5.135 13 HG1 THR 2 1HG THR 2 7.429 15.388 -3.479 14 HG21 THR 2 3HG2 THR 2 6.897 14.709 -5.603 15 HG22 THR 2 1HG2 THR 2 6.830 15.937 -6.866 16 HG23 THR 2 2HG2 THR 2 5.598 15.903 -5.603 17 H TYR 3 H TYR 3 9.076 16.813 -2.776 18 HA TYR 3 HA TYR 3 11.365 18.438 -2.514 19 HB2 TYR 3 2HB TYR 3 9.843 20.127 -3.519 20 HB3 TYR 3 1HB TYR 3 8.741 19.904 -2.165 21 HD1 TYR 3 1HD TYR 3 12.418 20.468 -2.556 22 HD2 TYR 3 2HD TYR 3 8.805 21.618 -0.640 23 HE1 TYR 3 1HE TYR 3 13.641 22.176 -1.294 24 HE2 TYR 3 2HE TYR 3 10.025 23.336 0.633 25 HH TYR 3 HH TYR 3 12.376 23.749 1.389 26 H LYS 4 H LYS 4 8.226 17.572 -1.130 27 HA LYS 4 HA LYS 4 9.232 17.791 1.572 28 HB2 LYS 4 2HB LYS 4 6.596 16.583 0.743 29 HB3 LYS 4 1HB LYS 4 7.026 17.304 2.295 30 HG2 LYS 4 2HG LYS 4 6.011 19.134 1.549 31 HG3 LYS 4 1HG LYS 4 7.433 19.368 0.530 32 HD2 LYS 4 2HD LYS 4 6.296 18.002 -1.227 33 HD3 LYS 4 1HD LYS 4 4.852 18.000 -0.215 34 HE2 LYS 4 2HE LYS 4 4.886 20.495 -0.290 35 HE3 LYS 4 1HE LYS 4 6.212 20.392 -1.448 36 HZ1 LYS 4 3HZ LYS 4 4.841 19.775 -3.092 37 HZ2 LYS 4 1HZ LYS 4 3.651 20.511 -2.141 38 HZ3 LYS 4 2HZ LYS 4 3.856 18.834 -2.091 39 H LEU 5 H LEU 5 9.764 15.573 -0.729 40 HA LEU 5 HA LEU 5 10.488 13.420 -0.708 41 HB2 LEU 5 2HB LEU 5 12.023 14.130 0.949 42 HB3 LEU 5 1HB LEU 5 10.783 14.187 2.184 43 HG LEU 5 HG LEU 5 10.625 11.650 1.920 44 HD11 LEU 5 1HD1 LEU 5 12.037 10.510 0.603 45 HD12 LEU 5 2HD1 LEU 5 13.395 11.570 0.972 46 HD13 LEU 5 3HD1 LEU 5 12.216 12.046 -0.246 47 HD21 LEU 5 3HD2 LEU 5 11.769 12.931 3.777 48 HD22 LEU 5 1HD2 LEU 5 13.280 12.654 2.910 49 HD23 LEU 5 2HD2 LEU 5 12.345 11.286 3.505 50 H ILE 6 H ILE 6 9.032 13.215 2.517 51 HA ILE 6 HA ILE 6 7.038 11.353 1.405 52 HB ILE 6 HB ILE 6 8.296 11.296 4.154 53 HG12 ILE 6 2HG1 ILE 6 8.590 8.897 2.568 54 HG13 ILE 6 1HG1 ILE 6 9.238 10.286 1.704 55 HG21 ILE 6 1HG2 ILE 6 7.052 9.194 4.450 56 HG22 ILE 6 2HG2 ILE 6 6.252 9.464 2.905 57 HG23 ILE 6 3HG2 ILE 6 5.981 10.580 4.242 58 HD11 ILE 6 3HD1 ILE 6 10.446 10.798 3.922 59 HD12 ILE 6 1HD1 ILE 6 11.060 9.513 2.885 60 HD13 ILE 6 2HD1 ILE 6 10.095 9.112 4.307 61 H LEU 7 H LEU 7 5.013 12.047 1.531 62 HA LEU 7 HA LEU 7 4.353 14.195 3.408 63 HB2 LEU 7 2HB LEU 7 2.893 13.115 0.998 64 HB3 LEU 7 1HB LEU 7 2.257 14.367 2.045 65 HG LEU 7 HG LEU 7 4.455 15.633 1.465 66 HD11 LEU 7 1HD1 LEU 7 5.034 15.043 -0.984 67 HD12 LEU 7 2HD1 LEU 7 4.366 13.459 -0.587 68 HD13 LEU 7 3HD1 LEU 7 5.744 14.088 0.317 69 HD21 LEU 7 3HD2 LEU 7 3.262 16.181 -0.864 70 HD22 LEU 7 1HD2 LEU 7 2.643 16.746 0.689 71 HD23 LEU 7 2HD2 LEU 7 1.948 15.313 -0.067 72 H ASN 8 H ASN 8 2.850 11.192 2.198 73 HA ASN 8 HA ASN 8 2.028 10.517 4.903 74 HB2 ASN 8 2HB ASN 8 0.243 11.906 3.379 75 HB3 ASN 8 1HB ASN 8 -0.180 10.248 2.969 76 HD21 ASN 8 1HD2 ASN 8 -2.083 11.578 4.158 77 HD22 ASN 8 2HD2 ASN 8 -2.258 11.135 5.817 78 H LEU 9 H LEU 9 3.854 9.421 2.902 79 HA LEU 9 HA LEU 9 2.572 6.967 2.008 80 HB2 LEU 9 2HB LEU 9 5.366 8.061 1.683 81 HB3 LEU 9 1HB LEU 9 4.903 6.447 1.153 82 HG LEU 9 HG LEU 9 4.856 7.905 -0.748 83 HD11 LEU 9 1HD1 LEU 9 2.014 7.475 0.153 84 HD12 LEU 9 2HD1 LEU 9 3.051 6.223 -0.533 85 HD13 LEU 9 3HD1 LEU 9 2.594 7.621 -1.505 86 HD21 LEU 9 3HD2 LEU 9 2.861 9.652 0.672 87 HD22 LEU 9 1HD2 LEU 9 3.673 9.950 -0.863 88 HD23 LEU 9 2HD2 LEU 9 4.591 9.997 0.643 89 H LYS 10 H LYS 10 5.135 8.039 4.155 90 HA LYS 10 HA LYS 10 6.138 5.739 5.191 91 HB2 LYS 10 2HB LYS 10 5.942 8.479 5.957 92 HB3 LYS 10 1HB LYS 10 5.651 7.489 7.386 93 HG2 LYS 10 2HG LYS 10 7.926 6.596 5.786 94 HG3 LYS 10 1HG LYS 10 8.103 8.226 6.438 95 HD2 LYS 10 2HD LYS 10 7.031 6.358 8.390 96 HD3 LYS 10 1HD LYS 10 8.603 5.852 7.771 97 HE2 LYS 10 2HE LYS 10 9.215 8.376 8.188 98 HE3 LYS 10 1HE LYS 10 7.859 8.296 9.315 99 HZ1 LYS 10 3HZ LYS 10 9.527 7.655 10.683 100 HZ2 LYS 10 1HZ LYS 10 10.469 6.987 9.448 101 HZ3 LYS 10 2HZ LYS 10 9.140 6.132 10.058 102 H GLN 11 H GLN 11 3.050 7.233 5.901 103 HA GLN 11 HA GLN 11 2.322 5.487 8.030 104 HB2 GLN 11 2HB GLN 11 1.305 7.681 7.824 105 HB3 GLN 11 1HB GLN 11 0.674 7.274 6.233 106 HG2 GLN 11 2HG GLN 11 -1.171 7.047 7.604 107 HG3 GLN 11 1HG GLN 11 -0.585 5.390 7.458 108 HE21 GLN 11 1HE2 GLN 11 -1.447 4.678 9.364 109 HE22 GLN 11 2HE2 GLN 11 -0.886 5.198 10.912 110 H ALA 12 H ALA 12 1.589 5.624 4.568 111 HA ALA 12 HA ALA 12 -0.111 3.351 4.544 112 HB1 ALA 12 1HB ALA 12 0.398 5.318 2.774 113 HB2 ALA 12 2HB ALA 12 -0.387 3.796 2.352 114 HB3 ALA 12 3HB ALA 12 1.340 4.007 2.065 115 H LYS 13 H LYS 13 3.326 3.821 3.798 116 HA LYS 13 HA LYS 13 3.823 1.148 3.008 117 HB2 LYS 13 2HB LYS 13 5.384 3.005 2.490 118 HB3 LYS 13 1HB LYS 13 5.796 3.115 4.201 119 HG2 LYS 13 2HG LYS 13 6.285 0.500 3.733 120 HG3 LYS 13 1HG LYS 13 6.670 1.197 2.159 121 HD2 LYS 13 2HD LYS 13 7.989 2.946 3.592 122 HD3 LYS 13 1HD LYS 13 7.951 1.673 4.815 123 HE2 LYS 13 2HE LYS 13 9.807 0.923 3.809 124 HE3 LYS 13 1HE LYS 13 8.704 0.288 2.590 125 HZ1 LYS 13 3HZ LYS 13 9.983 2.964 2.462 126 HZ2 LYS 13 1HZ LYS 13 9.040 2.235 1.259 127 HZ3 LYS 13 2HZ LYS 13 10.555 1.591 1.655 128 H GLU 14 H GLU 14 4.398 2.801 6.110 129 HA GLU 14 HA GLU 14 5.434 0.701 7.567 130 HB2 GLU 14 2HB GLU 14 3.621 2.950 8.436 131 HB3 GLU 14 1HB GLU 14 4.282 1.785 9.574 132 HG2 GLU 14 2HG GLU 14 6.307 2.946 7.838 133 HG3 GLU 14 1HG GLU 14 5.456 4.142 8.813 134 H GLU 15 H GLU 15 2.034 1.451 6.943 135 HA GLU 15 HA GLU 15 0.993 -0.678 8.512 136 HB2 GLU 15 2HB GLU 15 -0.096 1.221 6.492 137 HB3 GLU 15 1HB GLU 15 -1.029 -0.228 6.841 138 HG2 GLU 15 2HG GLU 15 -0.279 0.836 9.326 139 HG3 GLU 15 1HG GLU 15 -0.806 2.198 8.342 140 H ALA 16 H ALA 16 2.038 -0.357 5.189 141 HA ALA 16 HA ALA 16 0.893 -2.594 4.030 142 HB1 ALA 16 1HB ALA 16 2.779 -0.700 3.286 143 HB2 ALA 16 2HB ALA 16 2.120 -1.985 2.274 144 HB3 ALA 16 3HB ALA 16 3.629 -2.240 3.149 145 H ILE 17 H ILE 17 3.982 -2.375 5.783 146 HA ILE 17 HA ILE 17 4.529 -5.173 5.558 147 HB ILE 17 HB ILE 17 5.725 -3.277 7.593 148 HG12 ILE 17 2HG1 ILE 17 7.664 -3.368 5.827 149 HG13 ILE 17 1HG1 ILE 17 6.376 -3.771 4.698 150 HG21 ILE 17 1HG2 ILE 17 5.993 -5.728 7.968 151 HG22 ILE 17 2HG2 ILE 17 7.508 -4.848 7.759 152 HG23 ILE 17 3HG2 ILE 17 6.859 -5.814 6.434 153 HD11 ILE 17 3HD1 ILE 17 5.686 -1.489 6.317 154 HD12 ILE 17 1HD1 ILE 17 5.735 -1.660 4.563 155 HD13 ILE 17 2HD1 ILE 17 7.202 -1.246 5.450 156 H LYS 18 H LYS 18 3.430 -3.130 8.232 157 HA LYS 18 HA LYS 18 3.155 -5.027 10.216 158 HB2 LYS 18 2HB LYS 18 2.916 -2.605 10.584 159 HB3 LYS 18 1HB LYS 18 1.388 -2.624 9.715 160 HG2 LYS 18 2HG LYS 18 0.364 -3.962 11.411 161 HG3 LYS 18 1HG LYS 18 1.910 -4.194 12.229 162 HD2 LYS 18 2HD LYS 18 1.966 -1.642 12.444 163 HD3 LYS 18 1HD LYS 18 0.255 -1.696 12.014 164 HE2 LYS 18 2HE LYS 18 -0.340 -2.766 13.965 165 HE3 LYS 18 1HE LYS 18 1.265 -3.459 14.199 166 HZ1 LYS 18 3HZ LYS 18 2.094 -1.291 14.814 167 HZ2 LYS 18 1HZ LYS 18 0.774 -1.690 15.794 168 HZ3 LYS 18 2HZ LYS 18 0.584 -0.585 14.527 169 H GLU 19 H GLU 19 0.721 -3.995 7.821 170 HA GLU 19 HA GLU 19 -1.316 -5.716 8.693 171 HB2 GLU 19 2HB GLU 19 -0.756 -4.682 5.900 172 HB3 GLU 19 1HB GLU 19 -2.250 -5.465 6.396 173 HG2 GLU 19 2HG GLU 19 -1.289 -3.048 7.856 174 HG3 GLU 19 1HG GLU 19 -2.102 -2.876 6.302 175 H LEU 20 H LEU 20 1.308 -6.156 6.363 176 HA LEU 20 HA LEU 20 0.586 -8.792 5.613 177 HB2 LEU 20 2HB LEU 20 2.514 -6.929 4.891 178 HB3 LEU 20 1HB LEU 20 3.447 -8.244 5.595 179 HG LEU 20 HG LEU 20 1.880 -9.699 3.994 180 HD11 LEU 20 1HD1 LEU 20 1.558 -6.920 3.114 181 HD12 LEU 20 2HD1 LEU 20 0.541 -8.334 2.841 182 HD13 LEU 20 3HD1 LEU 20 1.970 -8.072 1.833 183 HD21 LEU 20 3HD2 LEU 20 3.773 -10.059 2.838 184 HD22 LEU 20 1HD2 LEU 20 4.502 -8.986 4.032 185 HD23 LEU 20 2HD2 LEU 20 3.998 -8.357 2.470 186 H VAL 21 H VAL 21 2.387 -7.351 8.227 187 HA VAL 21 HA VAL 21 3.544 -9.742 9.222 188 HB VAL 21 HB VAL 21 3.007 -7.219 10.799 189 HG11 VAL 21 1HG1 VAL 21 5.028 -9.413 11.237 190 HG12 VAL 21 2HG1 VAL 21 3.516 -9.229 12.129 191 HG13 VAL 21 3HG1 VAL 21 4.769 -7.996 12.254 192 HG21 VAL 21 3HG2 VAL 21 5.725 -7.410 10.076 193 HG22 VAL 21 1HG2 VAL 21 4.552 -6.213 9.550 194 HG23 VAL 21 2HG2 VAL 21 4.795 -7.679 8.604 195 H ASP 22 H ASP 22 0.533 -8.023 9.780 196 HA ASP 22 HA ASP 22 -0.269 -9.567 12.040 197 HB2 ASP 22 2HB ASP 22 -1.833 -7.831 10.126 198 HB3 ASP 22 1HB ASP 22 -2.534 -8.590 11.553 199 H ALA 23 H ALA 23 -0.219 -10.164 8.673 200 HA ALA 23 HA ALA 23 -1.795 -12.605 9.086 201 HB1 ALA 23 1HB ALA 23 -2.078 -10.666 6.798 202 HB2 ALA 23 2HB ALA 23 -3.302 -11.116 7.983 203 HB3 ALA 23 3HB ALA 23 -2.748 -12.299 6.796 204 H GLY 24 H GLY 24 -0.269 -11.210 6.202 205 HA2 GLY 24 2HA GLY 24 2.142 -12.169 5.909 206 HA3 GLY 24 1HA GLY 24 1.268 -13.703 5.900 207 H THR 25 H THR 25 -0.559 -13.816 4.293 208 HA THR 25 HA THR 25 -1.013 -14.042 2.059 209 HB THR 25 HB THR 25 -2.066 -11.864 2.862 210 HG1 THR 25 1HG THR 25 -3.010 -11.893 1.003 211 HG21 THR 25 3HG2 THR 25 -1.293 -9.826 1.732 212 HG22 THR 25 1HG2 THR 25 0.161 -10.682 1.218 213 HG23 THR 25 2HG2 THR 25 -0.147 -10.414 2.935 214 H ALA 26 H ALA 26 -0.419 -12.534 -0.163 215 HA ALA 26 HA ALA 26 2.205 -13.500 -0.792 216 HB1 ALA 26 1HB ALA 26 0.852 -11.652 -2.654 217 HB2 ALA 26 2HB ALA 26 -0.014 -13.132 -2.256 218 HB3 ALA 26 3HB ALA 26 1.604 -13.214 -2.956 219 H GLU 27 H GLU 27 3.764 -12.401 0.319 220 HA GLU 27 HA GLU 27 3.844 -9.686 0.891 221 HB2 GLU 27 2HB GLU 27 6.327 -11.269 0.277 222 HB3 GLU 27 1HB GLU 27 6.121 -9.971 1.444 223 HG2 GLU 27 2HG GLU 27 4.323 -11.873 2.294 224 HG3 GLU 27 1HG GLU 27 5.695 -12.826 1.731 225 H LYS 28 H LYS 28 4.615 -11.357 -2.075 226 HA LYS 28 HA LYS 28 6.230 -9.638 -3.437 227 HB2 LYS 28 2HB LYS 28 4.030 -11.455 -4.225 228 HB3 LYS 28 1HB LYS 28 4.495 -10.249 -5.418 229 HG2 LYS 28 2HG LYS 28 5.976 -11.796 -6.052 230 HG3 LYS 28 1HG LYS 28 6.921 -11.190 -4.690 231 HD2 LYS 28 2HD LYS 28 5.789 -12.922 -3.261 232 HD3 LYS 28 1HD LYS 28 5.120 -13.599 -4.747 233 HE2 LYS 28 2HE LYS 28 7.468 -13.813 -5.596 234 HE3 LYS 28 1HE LYS 28 8.024 -13.340 -3.993 235 HZ1 LYS 28 3HZ LYS 28 8.009 -15.554 -3.674 236 HZ2 LYS 28 1HZ LYS 28 6.877 -15.849 -4.897 237 HZ3 LYS 28 2HZ LYS 28 6.361 -15.323 -3.375 238 H TYR 29 H TYR 29 2.834 -9.223 -2.666 239 HA TYR 29 HA TYR 29 2.430 -6.925 -4.298 240 HB2 TYR 29 2HB TYR 29 0.870 -8.542 -2.499 241 HB3 TYR 29 1HB TYR 29 0.614 -6.833 -2.141 242 HD1 TYR 29 1HD TYR 29 0.361 -5.400 -4.468 243 HD2 TYR 29 2HD TYR 29 -0.595 -9.498 -3.887 244 HE1 TYR 29 1HE TYR 29 -1.203 -5.298 -6.360 245 HE2 TYR 29 2HE TYR 29 -2.150 -9.412 -5.764 246 HH TYR 29 HH TYR 29 -3.491 -7.697 -6.984 247 H ILE 30 H ILE 30 3.299 -7.433 -0.899 248 HA ILE 30 HA ILE 30 3.205 -4.755 -0.085 249 HB ILE 30 HB ILE 30 3.526 -6.872 1.355 250 HG12 ILE 30 2HG1 ILE 30 3.384 -4.679 2.362 251 HG13 ILE 30 1HG1 ILE 30 4.669 -5.589 3.147 252 HG21 ILE 30 1HG2 ILE 30 6.308 -6.548 1.789 253 HG22 ILE 30 2HG2 ILE 30 6.056 -6.852 0.073 254 HG23 ILE 30 3HG2 ILE 30 5.434 -7.985 1.265 255 HD11 ILE 30 3HD1 ILE 30 5.704 -3.589 2.882 256 HD12 ILE 30 1HD1 ILE 30 4.828 -3.200 1.405 257 HD13 ILE 30 2HD1 ILE 30 6.160 -4.357 1.362 258 H LYS 31 H LYS 31 5.571 -6.571 -1.877 259 HA LYS 31 HA LYS 31 7.684 -4.673 -1.713 260 HB2 LYS 31 2HB LYS 31 8.036 -7.047 -2.323 261 HB3 LYS 31 1HB LYS 31 7.151 -6.777 -3.822 262 HG2 LYS 31 2HG LYS 31 8.885 -5.729 -4.817 263 HG3 LYS 31 1HG LYS 31 9.436 -4.981 -3.316 264 HD2 LYS 31 2HD LYS 31 9.969 -7.540 -2.742 265 HD3 LYS 31 1HD LYS 31 10.124 -7.607 -4.499 266 HE2 LYS 31 2HE LYS 31 11.827 -5.979 -4.506 267 HE3 LYS 31 1HE LYS 31 11.505 -5.517 -2.840 268 HZ1 LYS 31 3HZ LYS 31 13.383 -6.827 -2.674 269 HZ2 LYS 31 1HZ LYS 31 12.873 -7.923 -3.857 270 HZ3 LYS 31 2HZ LYS 31 12.154 -7.931 -2.326 271 H LEU 32 H LEU 32 4.879 -5.113 -3.732 272 HA LEU 32 HA LEU 32 5.617 -3.299 -5.795 273 HB2 LEU 32 2HB LEU 32 3.585 -5.123 -5.402 274 HB3 LEU 32 1HB LEU 32 2.741 -3.584 -5.281 275 HG LEU 32 HG LEU 32 3.963 -3.031 -7.518 276 HD11 LEU 32 1HD1 LEU 32 3.837 -5.992 -7.894 277 HD12 LEU 32 2HD1 LEU 32 5.294 -5.242 -7.238 278 HD13 LEU 32 3HD1 LEU 32 4.705 -4.776 -8.834 279 HD21 LEU 32 3HD2 LEU 32 1.591 -3.183 -7.403 280 HD22 LEU 32 1HD2 LEU 32 1.649 -4.939 -7.249 281 HD23 LEU 32 2HD2 LEU 32 2.113 -4.172 -8.768 282 H ILE 33 H ILE 33 4.062 -2.977 -2.680 283 HA ILE 33 HA ILE 33 3.121 -0.313 -3.123 284 HB ILE 33 HB ILE 33 2.222 -0.360 -1.013 285 HG12 ILE 33 2HG1 ILE 33 3.303 -2.177 0.675 286 HG13 ILE 33 1HG1 ILE 33 4.729 -1.744 -0.261 287 HG21 ILE 33 1HG2 ILE 33 2.524 -3.312 -1.135 288 HG22 ILE 33 2HG2 ILE 33 1.737 -2.480 -2.473 289 HG23 ILE 33 3HG2 ILE 33 1.088 -2.332 -0.837 290 HD11 ILE 33 3HD1 ILE 33 4.741 -0.312 1.581 291 HD12 ILE 33 1HD1 ILE 33 3.014 0.018 1.444 292 HD13 ILE 33 2HD1 ILE 33 4.135 0.670 0.249 293 H ALA 34 H ALA 34 6.071 -1.731 -1.930 294 HA ALA 34 HA ALA 34 7.296 0.109 -0.406 295 HB1 ALA 34 1HB ALA 34 9.415 -0.415 -1.813 296 HB2 ALA 34 2HB ALA 34 8.353 -1.537 -2.663 297 HB3 ALA 34 3HB ALA 34 8.615 -1.712 -0.927 298 H ASN 35 H ASN 35 6.780 0.406 -3.882 299 HA ASN 35 HA ASN 35 7.776 3.175 -3.755 300 HB2 ASN 35 2HB ASN 35 8.607 1.253 -5.461 301 HB3 ASN 35 1HB ASN 35 7.266 1.920 -6.396 302 HD21 ASN 35 1HD2 ASN 35 10.441 2.429 -5.188 303 HD22 ASN 35 2HD2 ASN 35 10.731 3.939 -5.971 304 H ALA 36 H ALA 36 5.090 1.114 -4.573 305 HA ALA 36 HA ALA 36 2.986 1.533 -5.380 306 HB1 ALA 36 1HB ALA 36 3.340 3.587 -3.212 307 HB2 ALA 36 2HB ALA 36 2.690 1.956 -3.061 308 HB3 ALA 36 3HB ALA 36 1.785 3.188 -3.939 309 H LYS 37 H LYS 37 2.658 4.821 -4.712 310 HA LYS 37 HA LYS 37 3.755 6.090 -6.935 311 HB2 LYS 37 2HB LYS 37 2.227 4.565 -8.192 312 HB3 LYS 37 1HB LYS 37 0.862 5.308 -7.361 313 HG2 LYS 37 2HG LYS 37 2.129 7.488 -8.383 314 HG3 LYS 37 1HG LYS 37 2.450 6.275 -9.621 315 HD2 LYS 37 2HD LYS 37 -0.316 6.423 -8.577 316 HD3 LYS 37 1HD LYS 37 0.228 7.766 -9.584 317 HE2 LYS 37 2HE LYS 37 0.491 4.877 -10.390 318 HE3 LYS 37 1HE LYS 37 -0.905 5.872 -10.801 319 HZ1 LYS 37 3HZ LYS 37 0.968 7.456 -11.690 320 HZ2 LYS 37 1HZ LYS 37 0.378 6.184 -12.637 321 HZ3 LYS 37 2HZ LYS 37 1.841 6.012 -11.806 322 H THR 38 H THR 38 0.954 5.841 -4.822 323 HA THR 38 HA THR 38 1.315 8.614 -4.017 324 HB THR 38 HB THR 38 -1.514 7.871 -4.464 325 HG1 THR 38 1HG THR 38 0.135 8.574 -6.657 326 HG21 THR 38 3HG2 THR 38 -1.865 10.082 -4.690 327 HG22 THR 38 1HG2 THR 38 -0.353 10.350 -5.557 328 HG23 THR 38 2HG2 THR 38 -0.342 10.173 -3.802 329 H VAL 39 H VAL 39 -1.010 8.814 -2.452 330 HA VAL 39 HA VAL 39 -0.234 7.197 -0.210 331 HB VAL 39 HB VAL 39 -2.657 8.983 -0.424 332 HG11 VAL 39 1HG1 VAL 39 -1.838 9.149 2.130 333 HG12 VAL 39 2HG1 VAL 39 -1.327 7.505 1.753 334 HG13 VAL 39 3HG1 VAL 39 -3.017 7.969 1.560 335 HG21 VAL 39 3HG2 VAL 39 -0.508 10.127 -1.029 336 HG22 VAL 39 1HG2 VAL 39 0.072 9.754 0.595 337 HG23 VAL 39 2HG2 VAL 39 -1.334 10.797 0.380 338 H GLU 40 H GLU 40 -3.272 7.538 -2.049 339 HA GLU 40 HA GLU 40 -4.550 5.350 -0.807 340 HB2 GLU 40 2HB GLU 40 -6.296 5.648 -2.361 341 HB3 GLU 40 1HB GLU 40 -5.636 7.257 -2.108 342 HG2 GLU 40 2HG GLU 40 -5.089 5.452 -4.457 343 HG3 GLU 40 1HG GLU 40 -6.120 6.884 -4.447 344 H GLY 41 H GLY 41 -2.399 5.603 -3.541 345 HA2 GLY 41 2HA GLY 41 -2.927 3.154 -4.795 346 HA3 GLY 41 1HA GLY 41 -1.384 3.999 -4.833 347 H VAL 42 H VAL 42 -0.966 3.921 -1.977 348 HA VAL 42 HA VAL 42 0.167 1.281 -1.812 349 HB VAL 42 HB VAL 42 0.116 3.142 0.534 350 HG11 VAL 42 1HG1 VAL 42 2.425 1.547 -0.531 351 HG12 VAL 42 2HG1 VAL 42 1.183 0.814 0.486 352 HG13 VAL 42 3HG1 VAL 42 2.155 2.147 1.105 353 HG21 VAL 42 3HG2 VAL 42 1.171 3.812 -2.087 354 HG22 VAL 42 1HG2 VAL 42 2.417 3.835 -0.840 355 HG23 VAL 42 2HG2 VAL 42 0.969 4.822 -0.657 356 H TRP 43 H TRP 43 -2.317 3.112 -0.049 357 HA TRP 43 HA TRP 43 -2.993 1.118 1.804 358 HB2 TRP 43 2HB TRP 43 -4.728 3.283 0.605 359 HB3 TRP 43 1HB TRP 43 -5.161 2.320 2.006 360 HD1 TRP 43 HD TRP 43 -3.628 5.537 1.144 361 HE1 TRP 43 1HE TRP 43 -2.418 6.544 3.183 362 HE3 TRP 43 3HE TRP 43 -3.555 1.419 4.132 363 HZ2 TRP 43 2HZ TRP 43 -1.548 5.691 5.735 364 HZ3 TRP 43 3HZ TRP 43 -2.517 1.584 6.364 365 HH2 TRP 43 HH TRP 43 -1.534 3.677 7.145 366 H THR 44 H THR 44 -3.803 1.537 -1.549 367 HA THR 44 HA THR 44 -5.982 -0.333 -1.540 368 HB THR 44 HB THR 44 -4.407 0.795 -3.862 369 HG1 THR 44 1HG THR 44 -5.956 2.351 -3.947 370 HG21 THR 44 3HG2 THR 44 -5.546 -0.822 -4.952 371 HG22 THR 44 1HG2 THR 44 -6.824 0.393 -4.883 372 HG23 THR 44 2HG2 THR 44 -6.800 -0.929 -3.716 373 H LEU 45 H LEU 45 -2.540 -0.433 -2.275 374 HA LEU 45 HA LEU 45 -2.499 -2.966 -3.503 375 HB2 LEU 45 2HB LEU 45 -0.327 -1.559 -1.944 376 HB3 LEU 45 1HB LEU 45 -0.090 -2.991 -2.927 377 HD11 LEU 45 1HD2 LEU 45 0.488 0.724 -4.121 378 HD12 LEU 45 2HD2 LEU 45 1.605 -0.619 -4.376 379 HD13 LEU 45 3HD2 LEU 45 1.004 -0.267 -2.757 380 HD21 LEU 45 3HD1 LEU 45 0.861 -2.208 -5.430 381 HD22 LEU 45 1HD1 LEU 45 -0.618 -1.562 -6.143 382 HD23 LEU 45 2HD1 LEU 45 -0.680 -3.019 -5.151 383 H LYS 46 H LYS 46 -1.858 -2.070 -0.093 384 HA LYS 46 HA LYS 46 -1.513 -4.733 0.802 385 HB2 LYS 46 2HB LYS 46 -2.120 -3.668 3.082 386 HB3 LYS 46 1HB LYS 46 -0.653 -3.144 2.269 387 HG2 LYS 46 2HG LYS 46 -1.367 -1.045 2.112 388 HG3 LYS 46 1HG LYS 46 -2.955 -1.539 1.528 389 HD2 LYS 46 2HD LYS 46 -2.333 -1.989 4.397 390 HD3 LYS 46 1HD LYS 46 -2.623 -0.330 3.871 391 HE2 LYS 46 2HE LYS 46 -4.729 -1.292 2.740 392 HE3 LYS 46 1HE LYS 46 -4.474 -2.687 3.787 393 HZ1 LYS 46 3HZ LYS 46 -5.941 -1.257 4.920 394 HZ2 LYS 46 1HZ LYS 46 -5.003 0.114 4.595 395 HZ3 LYS 46 2HZ LYS 46 -4.445 -1.056 5.679 396 H ASP 47 H ASP 47 -4.312 -2.577 0.660 397 HA ASP 47 HA ASP 47 -6.114 -4.384 1.928 398 HB2 ASP 47 2HB ASP 47 -6.333 -1.829 1.666 399 HB3 ASP 47 1HB ASP 47 -6.938 -2.183 0.049 400 H GLU 48 H GLU 48 -4.933 -3.986 -1.291 401 HA GLU 48 HA GLU 48 -7.053 -5.269 -2.672 402 HB2 GLU 48 2HB GLU 48 -4.291 -4.402 -3.306 403 HB3 GLU 48 1HB GLU 48 -4.948 -5.692 -4.305 404 HG2 GLU 48 2HG GLU 48 -6.914 -3.651 -4.039 405 HG3 GLU 48 1HG GLU 48 -5.385 -2.915 -4.512 406 H ILE 49 H ILE 49 -4.194 -6.394 -1.002 407 HA ILE 49 HA ILE 49 -4.418 -9.080 -2.039 408 HB ILE 49 HB ILE 49 -2.819 -8.448 0.407 409 HG12 ILE 49 2HG1 ILE 49 -1.293 -8.123 -2.045 410 HG13 ILE 49 1HG1 ILE 49 -2.550 -6.903 -1.902 411 HG21 ILE 49 1HG2 ILE 49 -1.443 -10.208 -0.321 412 HG22 ILE 49 2HG2 ILE 49 -2.104 -10.157 -1.955 413 HG23 ILE 49 3HG2 ILE 49 -3.093 -10.751 -0.621 414 HD11 ILE 49 3HD1 ILE 49 -0.865 -5.848 -0.813 415 HD12 ILE 49 1HD1 ILE 49 -0.140 -7.353 -0.247 416 HD13 ILE 49 2HD1 ILE 49 -1.581 -6.715 0.546 417 H LYS 50 H LYS 50 -5.222 -7.363 0.939 418 HA LYS 50 HA LYS 50 -6.020 -9.673 2.390 419 HB2 LYS 50 2HB LYS 50 -5.742 -6.921 2.911 420 HB3 LYS 50 1HB LYS 50 -7.419 -7.312 3.262 421 HG2 LYS 50 2HG LYS 50 -6.391 -7.675 5.288 422 HG3 LYS 50 1HG LYS 50 -6.414 -9.297 4.590 423 HD2 LYS 50 2HD LYS 50 -4.061 -8.336 3.628 424 HD3 LYS 50 1HD LYS 50 -4.146 -7.529 5.196 425 HE2 LYS 50 2HE LYS 50 -3.485 -9.401 6.187 426 HE3 LYS 50 1HE LYS 50 -4.921 -10.226 5.581 427 HZ1 LYS 50 3HZ LYS 50 -2.839 -11.313 4.929 428 HZ2 LYS 50 1HZ LYS 50 -2.378 -9.935 4.073 429 HZ3 LYS 50 2HZ LYS 50 -3.737 -10.817 3.591 430 H THR 51 H THR 51 -7.614 -7.585 0.107 431 HA THR 51 HA THR 51 -10.196 -8.864 0.645 432 HB THR 51 HB THR 51 -11.154 -7.127 -0.792 433 HG1 THR 51 1HG THR 51 -8.479 -6.229 -1.070 434 HG21 THR 51 3HG2 THR 51 -10.783 -6.580 1.588 435 HG22 THR 51 1HG2 THR 51 -10.739 -5.173 0.526 436 HG23 THR 51 2HG2 THR 51 -9.236 -5.857 1.144 437 H PHE 52 H PHE 52 -7.807 -8.374 -1.902 438 HA PHE 52 HA PHE 52 -7.413 -9.450 -3.866 439 HB2 PHE 52 2HB PHE 52 -7.979 -11.415 -2.040 440 HB3 PHE 52 1HB PHE 52 -9.127 -11.771 -3.325 441 HD1 PHE 52 1HD PHE 52 -8.248 -12.102 -5.668 442 HD2 PHE 52 2HD PHE 52 -5.718 -11.975 -2.247 443 HE1 PHE 52 1HE PHE 52 -6.467 -13.216 -6.948 444 HE2 PHE 52 2HE PHE 52 -3.933 -13.089 -3.521 445 HZ PHE 52 HZ PHE 52 -4.304 -13.711 -5.875 446 H THR 53 H THR 53 -9.897 -7.806 -3.453 447 HA THR 53 HA THR 53 -11.046 -8.300 -6.027 448 HB THR 53 HB THR 53 -12.324 -9.952 -4.825 449 HG1 THR 53 1HG THR 53 -13.610 -8.888 -6.245 450 HG21 THR 53 3HG2 THR 53 -13.636 -8.041 -3.013 451 HG22 THR 53 1HG2 THR 53 -12.000 -8.539 -2.580 452 HG23 THR 53 2HG2 THR 53 -13.264 -9.750 -2.793 453 H VAL 54 H VAL 54 -12.054 -6.509 -6.848 454 HA VAL 54 HA VAL 54 -12.449 -4.231 -5.027 455 HB VAL 54 HB VAL 54 -11.258 -3.983 -7.790 456 HG11 VAL 54 1HG1 VAL 54 -10.659 -1.691 -6.864 457 HG12 VAL 54 2HG1 VAL 54 -11.801 -2.037 -5.565 458 HG13 VAL 54 3HG1 VAL 54 -12.358 -1.978 -7.238 459 HG21 VAL 54 3HG2 VAL 54 -9.412 -4.823 -6.805 460 HG22 VAL 54 1HG2 VAL 54 -10.003 -4.496 -5.176 461 HG23 VAL 54 2HG2 VAL 54 -9.278 -3.200 -6.127 462 H THR 55 H THR 55 -14.115 -2.820 -5.554 463 HA THR 55 HA THR 55 -16.231 -3.959 -7.120 464 HB THR 55 HB THR 55 -17.363 -1.723 -6.503 465 HG1 THR 55 1HG THR 55 -16.344 -0.630 -4.798 466 HG21 THR 55 3HG2 THR 55 -17.965 -3.649 -5.257 467 HG22 THR 55 1HG2 THR 55 -17.620 -2.359 -4.104 468 HG23 THR 55 2HG2 THR 55 -16.434 -3.635 -4.382 469 H GLU 56 H GLU 56 -14.179 -1.074 -7.384 470 HA GLU 56 HA GLU 56 -15.254 -0.538 -10.046 471 HB2 GLU 56 2HB GLU 56 -14.512 1.141 -8.010 472 HB3 GLU 56 1HB GLU 56 -13.101 1.197 -9.056 473 HG2 GLU 56 2HG GLU 56 -14.410 2.943 -9.820 474 HG3 GLU 56 1HG GLU 56 -14.773 1.639 -10.950 Start of MODEL 15 1 H1 THR 1 1HT THR 1 17.127 17.552 -5.334 2 H2 THR 1 2HT THR 1 16.742 18.344 -3.868 3 H3 THR 1 3HT THR 1 16.414 19.107 -5.371 4 HA THR 1 HA THR 1 14.824 17.453 -5.914 5 HB THR 1 HB THR 1 14.198 15.922 -3.909 6 HG1 THR 1 1HG THR 1 16.905 16.439 -3.275 7 HG21 THR 1 1HG2 THR 1 15.540 14.170 -4.664 8 HG22 THR 1 2HG2 THR 1 16.840 15.254 -5.139 9 HG23 THR 1 3HG2 THR 1 15.350 15.217 -6.069 10 H THR 2 H THR 2 13.275 18.965 -5.937 11 HA THR 2 HA THR 2 12.656 20.589 -3.663 12 HB THR 2 HB THR 2 10.764 20.407 -5.954 13 HG1 THR 2 1HG THR 2 12.494 20.398 -7.214 14 HG21 THR 2 3HG2 THR 2 11.462 22.333 -3.958 15 HG22 THR 2 1HG2 THR 2 10.157 22.371 -5.144 16 HG23 THR 2 2HG2 THR 2 11.744 23.013 -5.562 17 H TYR 3 H TYR 3 10.406 20.784 -2.818 18 HA TYR 3 HA TYR 3 9.456 18.184 -2.021 19 HB2 TYR 3 2HB TYR 3 9.065 20.978 -1.146 20 HB3 TYR 3 1HB TYR 3 7.676 19.923 -0.935 21 HD1 TYR 3 2HD TYR 3 11.365 19.810 -0.361 22 HD2 TYR 3 1HD TYR 3 7.491 18.857 1.094 23 HE1 TYR 3 2HE TYR 3 12.366 18.912 1.694 24 HE2 TYR 3 1HE TYR 3 8.486 17.963 3.162 25 HH TYR 3 HH TYR 3 10.510 18.136 4.454 26 H LYS 4 H LYS 4 7.714 17.134 -2.760 27 HA LYS 4 HA LYS 4 6.035 18.517 -4.747 28 HB2 LYS 4 2HB LYS 4 6.621 15.560 -4.516 29 HB3 LYS 4 1HB LYS 4 5.621 16.317 -5.747 30 HG2 LYS 4 2HG LYS 4 8.494 17.071 -5.380 31 HG3 LYS 4 1HG LYS 4 8.010 15.689 -6.364 32 HD2 LYS 4 2HD LYS 4 6.559 18.195 -6.898 33 HD3 LYS 4 1HD LYS 4 8.268 18.214 -7.305 34 HE2 LYS 4 2HE LYS 4 6.495 15.956 -8.167 35 HE3 LYS 4 1HE LYS 4 6.575 17.454 -9.094 36 HZ1 LYS 4 3HZ LYS 4 8.737 15.500 -8.581 37 HZ2 LYS 4 1HZ LYS 4 9.079 17.082 -9.072 38 HZ3 LYS 4 2HZ LYS 4 8.159 16.069 -10.065 39 H LEU 5 H LEU 5 5.680 18.435 -1.820 40 HA LEU 5 HA LEU 5 3.980 18.225 -0.324 41 HB2 LEU 5 2HB LEU 5 2.833 18.770 -2.831 42 HB3 LEU 5 1HB LEU 5 1.830 17.532 -2.094 43 HG LEU 5 HG LEU 5 1.044 19.844 -1.647 44 HD11 LEU 5 1HD1 LEU 5 1.849 18.862 1.012 45 HD12 LEU 5 2HD1 LEU 5 0.994 17.722 -0.012 46 HD13 LEU 5 3HD1 LEU 5 0.253 19.268 0.387 47 HD21 LEU 5 3HD2 LEU 5 3.628 20.505 -1.350 48 HD22 LEU 5 1HD2 LEU 5 3.177 20.286 0.342 49 HD23 LEU 5 2HD2 LEU 5 2.299 21.440 -0.663 50 H ILE 6 H ILE 6 4.559 16.387 0.771 51 HA ILE 6 HA ILE 6 3.472 13.843 -0.237 52 HB ILE 6 HB ILE 6 5.640 14.186 1.833 53 HG12 ILE 6 2HG1 ILE 6 6.423 13.081 -0.761 54 HG13 ILE 6 1HG1 ILE 6 5.878 14.752 -0.866 55 HG21 ILE 6 1HG2 ILE 6 4.247 11.884 0.619 56 HG22 ILE 6 2HG2 ILE 6 4.962 12.066 2.221 57 HG23 ILE 6 3HG2 ILE 6 5.992 11.727 0.828 58 HD11 ILE 6 3HD1 ILE 6 7.493 15.324 0.917 59 HD12 ILE 6 1HD1 ILE 6 8.239 14.732 -0.564 60 HD13 ILE 6 2HD1 ILE 6 8.099 13.671 0.839 61 H LEU 7 H LEU 7 1.565 13.426 0.673 62 HA LEU 7 HA LEU 7 0.602 14.516 3.059 63 HB2 LEU 7 2HB LEU 7 -0.200 12.227 1.325 64 HB3 LEU 7 1HB LEU 7 -0.945 12.380 2.904 65 HG LEU 7 HG LEU 7 -1.314 14.888 2.003 66 HD11 LEU 7 1HD1 LEU 7 -0.244 14.361 -0.159 67 HD12 LEU 7 2HD1 LEU 7 -1.925 14.868 -0.328 68 HD13 LEU 7 3HD1 LEU 7 -1.502 13.161 -0.460 69 HD21 LEU 7 3HD2 LEU 7 -3.140 13.734 2.862 70 HD22 LEU 7 1HD2 LEU 7 -2.974 12.413 1.705 71 HD23 LEU 7 2HD2 LEU 7 -3.578 13.982 1.171 72 H ASN 8 H ASN 8 1.163 11.031 2.632 73 HA ASN 8 HA ASN 8 2.977 10.745 4.764 74 HB2 ASN 8 2HB ASN 8 0.409 11.229 5.683 75 HB3 ASN 8 1HB ASN 8 0.537 9.474 5.750 76 HD21 ASN 8 1HD2 ASN 8 0.586 9.336 7.946 77 HD22 ASN 8 2HD2 ASN 8 1.913 9.900 8.902 78 H LEU 9 H LEU 9 3.952 9.374 3.270 79 HA LEU 9 HA LEU 9 2.512 7.014 2.356 80 HB2 LEU 9 2HB LEU 9 5.266 8.110 1.818 81 HB3 LEU 9 1HB LEU 9 4.796 6.489 1.314 82 HG LEU 9 HG LEU 9 4.605 8.109 -0.517 83 HD11 LEU 9 1HD1 LEU 9 1.769 7.541 0.022 84 HD12 LEU 9 2HD1 LEU 9 2.857 6.156 0.114 85 HD13 LEU 9 3HD1 LEU 9 2.771 7.116 -1.363 86 HD21 LEU 9 3HD2 LEU 9 2.265 9.415 0.753 87 HD22 LEU 9 1HD2 LEU 9 3.409 10.043 -0.434 88 HD23 LEU 9 2HD2 LEU 9 3.872 9.932 1.264 89 H LYS 10 H LYS 10 5.194 7.930 4.409 90 HA LYS 10 HA LYS 10 6.243 5.537 5.202 91 HB2 LYS 10 2HB LYS 10 6.205 8.225 6.123 92 HB3 LYS 10 1HB LYS 10 5.921 7.189 7.519 93 HG2 LYS 10 2HG LYS 10 8.176 6.650 5.619 94 HG3 LYS 10 1HG LYS 10 8.335 7.807 6.936 95 HD2 LYS 10 2HD LYS 10 7.496 5.907 8.446 96 HD3 LYS 10 1HD LYS 10 7.865 4.850 7.083 97 HE2 LYS 10 2HE LYS 10 10.152 5.336 7.176 98 HE3 LYS 10 1HE LYS 10 9.893 6.772 8.154 99 HZ1 LYS 10 3HZ LYS 10 8.902 4.898 9.758 100 HZ2 LYS 10 1HZ LYS 10 10.520 5.391 9.797 101 HZ3 LYS 10 2HZ LYS 10 10.086 3.994 8.963 102 H GLN 11 H GLN 11 3.250 7.049 6.207 103 HA GLN 11 HA GLN 11 2.613 5.227 8.287 104 HB2 GLN 11 2HB GLN 11 1.595 7.415 8.238 105 HB3 GLN 11 1HB GLN 11 0.909 7.108 6.647 106 HG2 GLN 11 2HG GLN 11 -0.871 6.866 8.143 107 HG3 GLN 11 1HG GLN 11 -0.389 5.218 7.740 108 HE21 GLN 11 1HE2 GLN 11 -1.689 6.597 10.130 109 HE22 GLN 11 2HE2 GLN 11 -0.808 5.984 11.483 110 H ALA 12 H ALA 12 1.885 5.411 4.846 111 HA ALA 12 HA ALA 12 0.121 3.159 4.826 112 HB1 ALA 12 1HB ALA 12 0.561 5.176 3.093 113 HB2 ALA 12 2HB ALA 12 -0.221 3.659 2.650 114 HB3 ALA 12 3HB ALA 12 1.495 3.894 2.323 115 H LYS 13 H LYS 13 3.522 3.694 3.960 116 HA LYS 13 HA LYS 13 4.103 1.125 3.025 117 HB2 LYS 13 2HB LYS 13 5.929 3.051 4.473 118 HB3 LYS 13 1HB LYS 13 6.453 1.667 3.527 119 HG2 LYS 13 2HG LYS 13 5.403 2.691 1.532 120 HG3 LYS 13 1HG LYS 13 5.030 4.113 2.508 121 HD2 LYS 13 2HD LYS 13 7.798 3.014 2.017 122 HD3 LYS 13 1HD LYS 13 7.087 4.395 1.176 123 HE2 LYS 13 2HE LYS 13 6.876 5.579 3.306 124 HE3 LYS 13 1HE LYS 13 7.579 4.199 4.147 125 HZ1 LYS 13 3HZ LYS 13 9.460 5.372 3.862 126 HZ2 LYS 13 1HZ LYS 13 8.869 6.240 2.535 127 HZ3 LYS 13 2HZ LYS 13 9.452 4.667 2.324 128 H GLU 14 H GLU 14 4.516 2.480 6.293 129 HA GLU 14 HA GLU 14 5.471 0.145 7.511 130 HB2 GLU 14 2HB GLU 14 3.894 2.442 8.695 131 HB3 GLU 14 1HB GLU 14 4.643 1.168 9.647 132 HG2 GLU 14 2HG GLU 14 6.622 2.206 7.913 133 HG3 GLU 14 1HG GLU 14 5.795 3.570 8.665 134 H GLU 15 H GLU 15 2.196 1.283 6.907 135 HA GLU 15 HA GLU 15 0.883 -0.727 8.422 136 HB2 GLU 15 2HB GLU 15 0.114 1.391 6.534 137 HB3 GLU 15 1HB GLU 15 -0.943 -0.012 6.507 138 HG2 GLU 15 2HG GLU 15 -0.534 0.549 9.208 139 HG3 GLU 15 1HG GLU 15 -0.764 2.115 8.432 140 H ALA 16 H ALA 16 2.048 -0.511 5.126 141 HA ALA 16 HA ALA 16 0.715 -2.717 4.027 142 HB1 ALA 16 1HB ALA 16 2.515 -2.730 2.350 143 HB2 ALA 16 2HB ALA 16 3.438 -1.608 3.348 144 HB3 ALA 16 3HB ALA 16 1.899 -1.104 2.647 145 H ILE 17 H ILE 17 3.885 -2.501 5.620 146 HA ILE 17 HA ILE 17 4.399 -5.301 5.434 147 HB ILE 17 HB ILE 17 6.285 -3.804 5.576 148 HG12 ILE 17 2HG1 ILE 17 7.585 -4.942 7.270 149 HG13 ILE 17 1HG1 ILE 17 6.135 -5.307 8.206 150 HG21 ILE 17 1HG2 ILE 17 6.760 -2.397 7.441 151 HG22 ILE 17 2HG2 ILE 17 5.412 -3.060 8.364 152 HG23 ILE 17 3HG2 ILE 17 5.103 -2.064 6.943 153 HD11 ILE 17 3HD1 ILE 17 5.356 -6.750 6.378 154 HD12 ILE 17 1HD1 ILE 17 6.882 -7.275 7.074 155 HD13 ILE 17 2HD1 ILE 17 6.868 -6.445 5.524 156 H LYS 18 H LYS 18 3.466 -3.166 8.094 157 HA LYS 18 HA LYS 18 3.277 -5.022 10.141 158 HB2 LYS 18 2HB LYS 18 3.166 -2.597 10.504 159 HB3 LYS 18 1HB LYS 18 1.604 -2.539 9.700 160 HG2 LYS 18 2HG LYS 18 1.015 -2.518 11.923 161 HG3 LYS 18 1HG LYS 18 0.878 -4.230 11.521 162 HD2 LYS 18 2HD LYS 18 3.505 -3.264 12.504 163 HD3 LYS 18 1HD LYS 18 2.189 -3.363 13.675 164 HE2 LYS 18 2HE LYS 18 2.204 -5.736 12.085 165 HE3 LYS 18 1HE LYS 18 3.831 -5.449 12.702 166 HZ1 LYS 18 3HZ LYS 18 2.431 -6.790 14.196 167 HZ2 LYS 18 1HZ LYS 18 1.385 -5.481 14.385 168 HZ3 LYS 18 2HZ LYS 18 2.982 -5.366 14.923 169 H GLU 19 H GLU 19 0.768 -3.910 7.876 170 HA GLU 19 HA GLU 19 -1.316 -5.500 8.867 171 HB2 GLU 19 2HB GLU 19 -1.703 -3.721 7.187 172 HB3 GLU 19 1HB GLU 19 -0.847 -4.678 5.980 173 HG2 GLU 19 2HG GLU 19 -2.854 -5.429 5.413 174 HG3 GLU 19 1HG GLU 19 -2.745 -6.426 6.863 175 H LEU 20 H LEU 20 1.197 -6.176 6.474 176 HA LEU 20 HA LEU 20 0.339 -8.804 5.864 177 HB2 LEU 20 2HB LEU 20 2.343 -7.067 5.030 178 HB3 LEU 20 1HB LEU 20 3.221 -8.402 5.762 179 HG LEU 20 HG LEU 20 1.589 -9.850 4.245 180 HD11 LEU 20 1HD1 LEU 20 1.557 -8.338 2.035 181 HD12 LEU 20 2HD1 LEU 20 1.330 -7.082 3.260 182 HD13 LEU 20 3HD1 LEU 20 0.206 -8.435 3.169 183 HD21 LEU 20 3HD2 LEU 20 3.349 -10.130 2.772 184 HD22 LEU 20 1HD2 LEU 20 4.165 -9.450 4.180 185 HD23 LEU 20 2HD2 LEU 20 3.786 -8.423 2.799 186 H VAL 21 H VAL 21 2.299 -7.345 8.354 187 HA VAL 21 HA VAL 21 3.343 -9.757 9.428 188 HB VAL 21 HB VAL 21 3.013 -7.128 10.896 189 HG11 VAL 21 1HG1 VAL 21 5.187 -9.097 11.408 190 HG12 VAL 21 2HG1 VAL 21 3.578 -9.420 12.053 191 HG13 VAL 21 3HG1 VAL 21 4.430 -7.946 12.504 192 HG21 VAL 21 3HG2 VAL 21 5.687 -7.560 10.047 193 HG22 VAL 21 1HG2 VAL 21 4.586 -6.269 9.577 194 HG23 VAL 21 2HG2 VAL 21 4.646 -7.760 8.640 195 H ASP 22 H ASP 22 0.453 -7.836 10.007 196 HA ASP 22 HA ASP 22 -0.330 -9.427 12.295 197 HB2 ASP 22 2HB ASP 22 -1.312 -6.988 10.951 198 HB3 ASP 22 1HB ASP 22 -2.537 -7.982 11.735 199 H ALA 23 H ALA 23 -0.879 -9.404 8.877 200 HA ALA 23 HA ALA 23 -3.025 -11.392 9.189 201 HB1 ALA 23 1HB ALA 23 -2.905 -9.112 7.602 202 HB2 ALA 23 2HB ALA 23 -4.102 -10.404 7.516 203 HB3 ALA 23 3HB ALA 23 -2.673 -10.453 6.482 204 H GLY 24 H GLY 24 -0.725 -10.753 6.550 205 HA2 GLY 24 2HA GLY 24 1.141 -12.227 6.083 206 HA3 GLY 24 1HA GLY 24 0.209 -13.537 6.798 207 H THR 25 H THR 25 1.147 -12.086 3.933 208 HA THR 25 HA THR 25 -0.402 -13.920 2.363 209 HB THR 25 HB THR 25 -1.954 -11.944 2.841 210 HG1 THR 25 1HG THR 25 -2.873 -12.333 0.967 211 HG21 THR 25 3HG2 THR 25 -1.722 -9.973 1.489 212 HG22 THR 25 1HG2 THR 25 -0.209 -10.574 0.803 213 HG23 THR 25 2HG2 THR 25 -0.298 -10.150 2.513 214 H ALA 26 H ALA 26 -0.200 -12.777 -0.093 215 HA ALA 26 HA ALA 26 2.428 -13.317 -0.842 216 HB1 ALA 26 1HB ALA 26 1.653 -13.081 -2.942 217 HB2 ALA 26 2HB ALA 26 0.907 -11.519 -2.601 218 HB3 ALA 26 3HB ALA 26 0.084 -13.011 -2.138 219 H GLU 27 H GLU 27 3.751 -12.065 0.565 220 HA GLU 27 HA GLU 27 3.747 -9.360 0.978 221 HB2 GLU 27 2HB GLU 27 6.200 -9.549 1.327 222 HB3 GLU 27 1HB GLU 27 5.279 -10.797 2.161 223 HG2 GLU 27 2HG GLU 27 5.785 -12.140 -0.057 224 HG3 GLU 27 1HG GLU 27 7.150 -11.029 -0.124 225 H LYS 28 H LYS 28 4.700 -11.089 -1.896 226 HA LYS 28 HA LYS 28 6.313 -9.359 -3.248 227 HB2 LYS 28 2HB LYS 28 4.652 -11.536 -3.927 228 HB3 LYS 28 1HB LYS 28 4.252 -10.249 -5.054 229 HG2 LYS 28 2HG LYS 28 5.954 -11.535 -6.061 230 HG3 LYS 28 1HG LYS 28 6.708 -10.033 -5.524 231 HD2 LYS 28 2HD LYS 28 7.756 -11.087 -3.700 232 HD3 LYS 28 1HD LYS 28 6.729 -12.513 -3.838 233 HE2 LYS 28 2HE LYS 28 8.917 -13.047 -4.679 234 HE3 LYS 28 1HE LYS 28 7.783 -13.001 -6.029 235 HZ1 LYS 28 3HZ LYS 28 8.650 -10.496 -6.038 236 HZ2 LYS 28 1HZ LYS 28 9.387 -11.729 -6.930 237 HZ3 LYS 28 2HZ LYS 28 10.032 -11.263 -5.437 238 H TYR 29 H TYR 29 2.802 -9.098 -2.845 239 HA TYR 29 HA TYR 29 2.431 -6.880 -4.541 240 HB2 TYR 29 2HB TYR 29 0.852 -8.399 -2.677 241 HB3 TYR 29 1HB TYR 29 0.567 -6.677 -2.428 242 HD1 TYR 29 1HD TYR 29 0.375 -5.403 -4.868 243 HD2 TYR 29 2HD TYR 29 -0.609 -9.444 -4.004 244 HE1 TYR 29 1HE TYR 29 -1.155 -5.438 -6.790 245 HE2 TYR 29 2HE TYR 29 -2.129 -9.493 -5.909 246 HH TYR 29 HH TYR 29 -2.238 -8.063 -8.232 247 H ILE 30 H ILE 30 3.400 -7.193 -1.188 248 HA ILE 30 HA ILE 30 3.216 -4.469 -0.475 249 HB ILE 30 HB ILE 30 5.090 -6.559 0.645 250 HG12 ILE 30 2HG1 ILE 30 3.076 -7.517 1.154 251 HG13 ILE 30 1HG1 ILE 30 3.154 -6.371 2.488 252 HG21 ILE 30 1HG2 ILE 30 5.240 -5.159 2.594 253 HG22 ILE 30 2HG2 ILE 30 4.085 -4.015 1.912 254 HG23 ILE 30 3HG2 ILE 30 5.677 -4.208 1.176 255 HD11 ILE 30 3HD1 ILE 30 1.783 -4.801 1.168 256 HD12 ILE 30 1HD1 ILE 30 0.960 -6.325 1.498 257 HD13 ILE 30 2HD1 ILE 30 1.651 -6.024 -0.095 258 H LYS 31 H LYS 31 5.599 -6.376 -2.133 259 HA LYS 31 HA LYS 31 7.742 -4.532 -2.014 260 HB2 LYS 31 2HB LYS 31 8.102 -6.857 -2.682 261 HB3 LYS 31 1HB LYS 31 7.085 -6.622 -4.104 262 HG2 LYS 31 2HG LYS 31 8.677 -5.283 -5.165 263 HG3 LYS 31 1HG LYS 31 9.555 -4.982 -3.664 264 HD2 LYS 31 2HD LYS 31 9.358 -7.813 -4.398 265 HD3 LYS 31 1HD LYS 31 10.252 -6.826 -5.555 266 HE2 LYS 31 2HE LYS 31 11.630 -7.863 -3.722 267 HE3 LYS 31 1HE LYS 31 11.790 -6.116 -3.898 268 HZ1 LYS 31 3HZ LYS 31 10.503 -5.740 -1.999 269 HZ2 LYS 31 1HZ LYS 31 11.525 -7.015 -1.564 270 HZ3 LYS 31 2HZ LYS 31 9.910 -7.323 -1.959 271 H LEU 32 H LEU 32 4.886 -4.832 -3.977 272 HA LEU 32 HA LEU 32 5.643 -2.948 -5.987 273 HB2 LEU 32 2HB LEU 32 3.645 -4.805 -5.738 274 HB3 LEU 32 1HB LEU 32 2.764 -3.311 -5.448 275 HG LEU 32 HG LEU 32 3.800 -2.466 -7.631 276 HD11 LEU 32 1HD1 LEU 32 4.574 -4.090 -9.203 277 HD12 LEU 32 2HD1 LEU 32 4.240 -5.411 -8.083 278 HD13 LEU 32 3HD1 LEU 32 5.528 -4.259 -7.729 279 HD21 LEU 32 3HD2 LEU 32 1.900 -4.802 -7.797 280 HD22 LEU 32 1HD2 LEU 32 2.061 -3.479 -8.955 281 HD23 LEU 32 2HD2 LEU 32 1.443 -3.163 -7.335 282 H ILE 33 H ILE 33 4.038 -2.767 -2.873 283 HA ILE 33 HA ILE 33 3.045 -0.123 -3.187 284 HB ILE 33 HB ILE 33 2.353 -0.199 -0.964 285 HG12 ILE 33 2HG1 ILE 33 3.567 -2.367 0.322 286 HG13 ILE 33 1HG1 ILE 33 4.882 -1.551 -0.509 287 HG21 ILE 33 1HG2 ILE 33 2.412 -3.132 -1.254 288 HG22 ILE 33 2HG2 ILE 33 1.715 -2.214 -2.584 289 HG23 ILE 33 3HG2 ILE 33 1.059 -2.045 -0.956 290 HD11 ILE 33 3HD1 ILE 33 2.936 -0.121 1.270 291 HD12 ILE 33 1HD1 ILE 33 4.469 0.473 0.635 292 HD13 ILE 33 2HD1 ILE 33 4.454 -0.812 1.842 293 H ALA 34 H ALA 34 6.103 -1.447 -2.175 294 HA ALA 34 HA ALA 34 7.199 0.682 -0.776 295 HB1 ALA 34 1HB ALA 34 8.116 -1.729 -1.546 296 HB2 ALA 34 2HB ALA 34 9.148 -0.449 -0.908 297 HB3 ALA 34 3HB ALA 34 9.016 -0.690 -2.650 298 H ASN 35 H ASN 35 6.628 0.313 -4.192 299 HA ASN 35 HA ASN 35 8.127 2.750 -4.799 300 HB2 ASN 35 2HB ASN 35 8.127 0.502 -6.185 301 HB3 ASN 35 1HB ASN 35 6.658 1.188 -6.885 302 HD21 ASN 35 1HD2 ASN 35 9.973 1.039 -7.090 303 HD22 ASN 35 2HD2 ASN 35 10.238 2.392 -8.131 304 H ALA 36 H ALA 36 5.079 1.974 -3.807 305 HA ALA 36 HA ALA 36 3.267 3.242 -5.406 306 HB1 ALA 36 1HB ALA 36 3.139 3.654 -2.448 307 HB2 ALA 36 2HB ALA 36 2.957 2.041 -3.139 308 HB3 ALA 36 3HB ALA 36 1.837 3.325 -3.592 309 H LYS 37 H LYS 37 2.794 5.271 -5.986 310 HA LYS 37 HA LYS 37 4.306 7.453 -4.699 311 HB2 LYS 37 2HB LYS 37 3.265 7.477 -7.538 312 HB3 LYS 37 1HB LYS 37 4.364 8.630 -6.784 313 HG2 LYS 37 2HG LYS 37 5.648 6.190 -6.500 314 HG3 LYS 37 1HG LYS 37 4.935 6.124 -8.112 315 HD2 LYS 37 2HD LYS 37 6.060 8.094 -8.788 316 HD3 LYS 37 1HD LYS 37 6.537 8.477 -7.134 317 HE2 LYS 37 2HE LYS 37 7.597 5.974 -7.497 318 HE3 LYS 37 1HE LYS 37 7.796 6.710 -9.091 319 HZ1 LYS 37 3HZ LYS 37 9.666 7.501 -8.152 320 HZ2 LYS 37 1HZ LYS 37 9.080 7.373 -6.570 321 HZ3 LYS 37 2HZ LYS 37 8.631 8.690 -7.530 322 H THR 38 H THR 38 1.715 6.364 -3.927 323 HA THR 38 HA THR 38 0.297 8.839 -3.681 324 HB THR 38 HB THR 38 -1.395 6.713 -4.899 325 HG1 THR 38 1HG THR 38 -0.594 6.917 -6.829 326 HG21 THR 38 3HG2 THR 38 -1.665 9.406 -5.912 327 HG22 THR 38 1HG2 THR 38 -1.824 9.330 -4.157 328 HG23 THR 38 2HG2 THR 38 -2.866 8.342 -5.181 329 H VAL 39 H VAL 39 -0.869 8.858 -1.835 330 HA VAL 39 HA VAL 39 -0.568 6.886 0.094 331 HB VAL 39 HB VAL 39 -2.566 7.985 1.225 332 HG11 VAL 39 1HG1 VAL 39 0.009 9.220 0.487 333 HG12 VAL 39 2HG1 VAL 39 -0.675 8.878 2.078 334 HG13 VAL 39 3HG1 VAL 39 -1.201 10.301 1.177 335 HG21 VAL 39 3HG2 VAL 39 -3.467 9.989 0.297 336 HG22 VAL 39 1HG2 VAL 39 -3.603 8.730 -0.930 337 HG23 VAL 39 2HG2 VAL 39 -2.332 9.945 -1.051 338 H GLU 40 H GLU 40 -3.129 7.320 -2.282 339 HA GLU 40 HA GLU 40 -4.814 5.279 -1.193 340 HB2 GLU 40 2HB GLU 40 -5.502 7.264 -2.669 341 HB3 GLU 40 1HB GLU 40 -4.923 6.301 -4.022 342 HG2 GLU 40 2HG GLU 40 -7.216 5.903 -3.946 343 HG3 GLU 40 1HG GLU 40 -6.494 4.483 -3.191 344 H GLY 41 H GLY 41 -2.360 5.430 -3.710 345 HA2 GLY 41 2HA GLY 41 -2.856 2.898 -4.857 346 HA3 GLY 41 1HA GLY 41 -1.346 3.789 -4.953 347 H VAL 42 H VAL 42 -1.120 3.854 -1.987 348 HA VAL 42 HA VAL 42 0.196 1.290 -1.726 349 HB VAL 42 HB VAL 42 0.066 3.046 0.656 350 HG11 VAL 42 1HG1 VAL 42 1.500 1.012 0.461 351 HG12 VAL 42 2HG1 VAL 42 2.385 2.483 0.862 352 HG13 VAL 42 3HG1 VAL 42 2.432 1.849 -0.784 353 HG21 VAL 42 3HG2 VAL 42 0.996 4.042 -1.971 354 HG22 VAL 42 1HG2 VAL 42 2.028 4.375 -0.580 355 HG23 VAL 42 2HG2 VAL 42 0.353 4.921 -0.587 356 H TRP 43 H TRP 43 -2.318 3.070 0.064 357 HA TRP 43 HA TRP 43 -2.949 1.054 1.894 358 HB2 TRP 43 2HB TRP 43 -4.129 3.564 1.011 359 HB3 TRP 43 1HB TRP 43 -5.357 2.367 1.380 360 HD1 TRP 43 HD TRP 43 -5.609 1.567 3.890 361 HE1 TRP 43 1HE TRP 43 -4.831 2.579 6.121 362 HE3 TRP 43 3HE TRP 43 -2.146 4.922 2.126 363 HZ2 TRP 43 2HZ TRP 43 -3.009 4.526 7.017 364 HZ3 TRP 43 3HZ TRP 43 -0.942 6.314 3.745 365 HH2 TRP 43 HH TRP 43 -1.364 6.120 6.139 366 H THR 44 H THR 44 -3.825 1.484 -1.446 367 HA THR 44 HA THR 44 -5.961 -0.428 -1.427 368 HB THR 44 HB THR 44 -5.727 -0.236 -3.945 369 HG1 THR 44 1HG THR 44 -3.845 0.508 -4.507 370 HG21 THR 44 3HG2 THR 44 -6.303 2.265 -3.972 371 HG22 THR 44 1HG2 THR 44 -6.224 2.145 -2.214 372 HG23 THR 44 2HG2 THR 44 -7.373 1.155 -3.115 373 H LEU 45 H LEU 45 -2.574 -0.449 -2.506 374 HA LEU 45 HA LEU 45 -2.509 -2.990 -3.628 375 HB2 LEU 45 2HB LEU 45 -0.345 -1.481 -2.170 376 HB3 LEU 45 1HB LEU 45 -0.069 -2.974 -3.046 377 HD11 LEU 45 1HD2 LEU 45 1.007 -0.068 -3.354 378 HD12 LEU 45 2HD2 LEU 45 0.929 0.098 -5.108 379 HD13 LEU 45 3HD2 LEU 45 1.664 -1.336 -4.390 380 HD21 LEU 45 3HD1 LEU 45 0.077 -1.883 -6.273 381 HD22 LEU 45 1HD1 LEU 45 -1.619 -2.158 -5.877 382 HD23 LEU 45 2HD1 LEU 45 -0.378 -3.221 -5.217 383 H LYS 46 H LYS 46 -1.785 -2.098 -0.239 384 HA LYS 46 HA LYS 46 -1.330 -4.746 0.639 385 HB2 LYS 46 2HB LYS 46 -1.635 -3.813 2.917 386 HB3 LYS 46 1HB LYS 46 -0.514 -2.882 1.935 387 HG2 LYS 46 2HG LYS 46 -2.673 -1.472 1.403 388 HG3 LYS 46 1HG LYS 46 -3.213 -2.157 2.938 389 HD2 LYS 46 2HD LYS 46 -0.694 -1.369 3.573 390 HD3 LYS 46 1HD LYS 46 -1.144 -0.143 2.387 391 HE2 LYS 46 2HE LYS 46 -1.773 0.679 4.530 392 HE3 LYS 46 1HE LYS 46 -3.252 0.217 3.689 393 HZ1 LYS 46 3HZ LYS 46 -3.524 -1.641 5.020 394 HZ2 LYS 46 1HZ LYS 46 -2.941 -0.494 6.121 395 HZ3 LYS 46 2HZ LYS 46 -1.905 -1.678 5.505 396 H ASP 47 H ASP 47 -4.187 -2.638 0.921 397 HA ASP 47 HA ASP 47 -5.856 -4.548 2.147 398 HB2 ASP 47 2HB ASP 47 -6.099 -1.936 1.824 399 HB3 ASP 47 1HB ASP 47 -7.010 -2.421 0.398 400 H GLU 48 H GLU 48 -4.914 -4.038 -1.136 401 HA GLU 48 HA GLU 48 -7.094 -5.327 -2.404 402 HB2 GLU 48 2HB GLU 48 -4.373 -4.444 -3.194 403 HB3 GLU 48 1HB GLU 48 -5.107 -5.703 -4.178 404 HG2 GLU 48 2HG GLU 48 -6.964 -4.310 -4.712 405 HG3 GLU 48 1HG GLU 48 -6.445 -3.086 -3.554 406 H ILE 49 H ILE 49 -3.990 -6.451 -1.158 407 HA ILE 49 HA ILE 49 -4.235 -9.097 -2.174 408 HB ILE 49 HB ILE 49 -2.665 -8.442 0.299 409 HG12 ILE 49 2HG1 ILE 49 -1.136 -8.219 -2.160 410 HG13 ILE 49 1HG1 ILE 49 -2.399 -6.997 -2.074 411 HG21 ILE 49 1HG2 ILE 49 -1.099 -10.091 -0.892 412 HG22 ILE 49 2HG2 ILE 49 -2.491 -10.455 -1.913 413 HG23 ILE 49 3HG2 ILE 49 -2.582 -10.718 -0.172 414 HD11 ILE 49 3HD1 ILE 49 0.003 -7.367 -0.384 415 HD12 ILE 49 1HD1 ILE 49 -1.443 -6.697 0.366 416 HD13 ILE 49 2HD1 ILE 49 -0.718 -5.891 -1.025 417 H LYS 50 H LYS 50 -5.067 -7.551 0.896 418 HA LYS 50 HA LYS 50 -5.811 -9.932 2.235 419 HB2 LYS 50 2HB LYS 50 -5.646 -7.198 2.864 420 HB3 LYS 50 1HB LYS 50 -7.313 -7.659 3.176 421 HG2 LYS 50 2HG LYS 50 -6.046 -7.934 5.185 422 HG3 LYS 50 1HG LYS 50 -6.473 -9.533 4.571 423 HD2 LYS 50 2HD LYS 50 -4.296 -10.004 4.828 424 HD3 LYS 50 1HD LYS 50 -4.071 -9.069 3.347 425 HE2 LYS 50 2HE LYS 50 -3.775 -7.040 4.762 426 HE3 LYS 50 1HE LYS 50 -3.822 -8.079 6.183 427 HZ1 LYS 50 3HZ LYS 50 -1.583 -7.407 4.888 428 HZ2 LYS 50 1HZ LYS 50 -1.936 -8.883 4.140 429 HZ3 LYS 50 2HZ LYS 50 -1.747 -8.809 5.819 430 H THR 51 H THR 51 -7.441 -7.900 -0.054 431 HA THR 51 HA THR 51 -10.080 -8.875 0.540 432 HB THR 51 HB THR 51 -9.137 -7.471 -1.963 433 HG1 THR 51 1HG THR 51 -8.693 -5.958 -0.554 434 HG21 THR 51 3HG2 THR 51 -11.844 -7.683 -0.676 435 HG22 THR 51 1HG2 THR 51 -11.351 -8.321 -2.246 436 HG23 THR 51 2HG2 THR 51 -11.442 -6.578 -1.990 437 H PHE 52 H PHE 52 -7.707 -9.435 -2.052 438 HA PHE 52 HA PHE 52 -8.590 -12.139 -2.364 439 HB2 PHE 52 2HB PHE 52 -9.540 -12.033 -4.501 440 HB3 PHE 52 1HB PHE 52 -10.187 -10.577 -3.747 441 HD1 PHE 52 2HD PHE 52 -7.767 -8.834 -3.935 442 HD2 PHE 52 1HD PHE 52 -9.568 -11.454 -6.762 443 HE1 PHE 52 2HE PHE 52 -6.852 -7.477 -5.768 444 HE2 PHE 52 1HE PHE 52 -8.656 -10.101 -8.601 445 HZ PHE 52 HZ PHE 52 -7.296 -8.109 -8.106 446 H THR 53 H THR 53 -7.493 -12.400 -5.014 447 HA THR 53 HA THR 53 -4.936 -11.327 -5.306 448 HB THR 53 HB THR 53 -4.300 -12.435 -3.278 449 HG1 THR 53 1HG THR 53 -2.577 -13.421 -4.061 450 HG21 THR 53 3HG2 THR 53 -5.621 -14.850 -4.453 451 HG22 THR 53 1HG2 THR 53 -5.875 -14.103 -2.876 452 HG23 THR 53 2HG2 THR 53 -4.380 -14.979 -3.204 453 H VAL 54 H VAL 54 -6.319 -11.464 -7.320 454 HA VAL 54 HA VAL 54 -5.825 -14.022 -8.705 455 HB VAL 54 HB VAL 54 -7.929 -12.021 -9.513 456 HG11 VAL 54 1HG1 VAL 54 -8.842 -13.869 -10.779 457 HG12 VAL 54 2HG1 VAL 54 -7.606 -14.952 -10.140 458 HG13 VAL 54 3HG1 VAL 54 -7.149 -13.627 -11.210 459 HG21 VAL 54 3HG2 VAL 54 -8.438 -14.519 -7.912 460 HG22 VAL 54 1HG2 VAL 54 -9.579 -13.242 -8.329 461 HG23 VAL 54 2HG2 VAL 54 -8.280 -12.922 -7.178 462 H THR 55 H THR 55 -4.642 -13.998 -10.525 463 HA THR 55 HA THR 55 -3.319 -13.256 -12.217 464 HB THR 55 HB THR 55 -4.848 -10.664 -12.198 465 HG1 THR 55 1HG THR 55 -5.702 -13.197 -13.121 466 HG21 THR 55 3HG2 THR 55 -4.437 -10.545 -14.474 467 HG22 THR 55 1HG2 THR 55 -4.040 -12.260 -14.592 468 HG23 THR 55 2HG2 THR 55 -2.916 -11.145 -13.812 469 H GLU 56 H GLU 56 -1.471 -13.142 -10.911 470 HA GLU 56 HA GLU 56 -0.789 -10.943 -9.290 471 HB2 GLU 56 2HB GLU 56 0.231 -13.277 -9.271 472 HB3 GLU 56 1HB GLU 56 1.182 -12.768 -10.659 473 HG2 GLU 56 2HG GLU 56 1.987 -10.845 -9.211 474 HG3 GLU 56 1HG GLU 56 1.275 -11.714 -7.853 Start of MODEL 16 1 H1 THR 1 1HT THR 1 12.985 22.375 -10.165 2 H2 THR 1 2HT THR 1 14.437 23.022 -9.511 3 H3 THR 1 3HT THR 1 12.927 23.372 -8.781 4 HA THR 1 HA THR 1 14.278 20.765 -8.923 5 HB THR 1 HB THR 1 14.496 21.018 -6.533 6 HG1 THR 1 1HG THR 1 13.220 23.534 -6.795 7 HG21 THR 1 1HG2 THR 1 16.023 22.801 -6.325 8 HG22 THR 1 2HG2 THR 1 15.290 23.676 -7.667 9 HG23 THR 1 3HG2 THR 1 16.182 22.186 -7.967 10 H THR 2 H THR 2 12.902 19.124 -9.075 11 HA THR 2 HA THR 2 10.136 19.507 -8.155 12 HB THR 2 HB THR 2 11.030 17.188 -9.829 13 HG1 THR 2 1HG THR 2 11.785 18.770 -11.096 14 HG21 THR 2 3HG2 THR 2 8.702 17.975 -10.869 15 HG22 THR 2 1HG2 THR 2 8.486 18.528 -9.208 16 HG23 THR 2 2HG2 THR 2 8.829 16.830 -9.529 17 H TYR 3 H TYR 3 11.793 19.146 -6.094 18 HA TYR 3 HA TYR 3 12.328 16.463 -5.386 19 HB2 TYR 3 2HB TYR 3 12.100 19.010 -3.797 20 HB3 TYR 3 1HB TYR 3 12.403 17.460 -3.019 21 HD1 TYR 3 1HD TYR 3 14.373 16.065 -4.218 22 HD2 TYR 3 2HD TYR 3 13.947 20.299 -4.274 23 HE1 TYR 3 1HE TYR 3 16.775 16.294 -4.676 24 HE2 TYR 3 2HE TYR 3 16.352 20.537 -4.744 25 HH TYR 3 HH TYR 3 18.547 17.951 -4.441 26 H LYS 4 H LYS 4 11.340 15.586 -3.233 27 HA LYS 4 HA LYS 4 8.441 15.997 -3.177 28 HB2 LYS 4 2HB LYS 4 9.788 13.293 -3.354 29 HB3 LYS 4 1HB LYS 4 8.072 13.559 -3.096 30 HG2 LYS 4 2HG LYS 4 7.783 14.439 -5.268 31 HG3 LYS 4 1HG LYS 4 9.523 14.573 -5.518 32 HD2 LYS 4 2HD LYS 4 8.338 11.898 -4.942 33 HD3 LYS 4 1HD LYS 4 8.170 12.581 -6.559 34 HE2 LYS 4 2HE LYS 4 10.561 12.777 -6.761 35 HE3 LYS 4 1HE LYS 4 10.786 12.239 -5.099 36 HZ1 LYS 4 3HZ LYS 4 11.087 10.265 -6.111 37 HZ2 LYS 4 1HZ LYS 4 10.206 10.691 -7.492 38 HZ3 LYS 4 2HZ LYS 4 9.393 10.207 -6.086 39 H LEU 5 H LEU 5 7.647 14.274 -1.323 40 HA LEU 5 HA LEU 5 9.415 14.186 0.935 41 HB2 LEU 5 2HB LEU 5 8.156 16.573 0.537 42 HB3 LEU 5 1HB LEU 5 7.020 15.754 1.597 43 HG LEU 5 HG LEU 5 8.662 17.193 2.798 44 HD11 LEU 5 1HD1 LEU 5 9.365 14.484 3.714 45 HD12 LEU 5 2HD1 LEU 5 7.638 14.807 3.538 46 HD13 LEU 5 3HD1 LEU 5 8.632 15.830 4.589 47 HD21 LEU 5 3HD2 LEU 5 10.534 16.596 1.172 48 HD22 LEU 5 1HD2 LEU 5 10.723 15.117 2.113 49 HD23 LEU 5 2HD2 LEU 5 10.952 16.689 2.887 50 H ILE 6 H ILE 6 8.580 12.973 2.675 51 HA ILE 6 HA ILE 6 6.573 11.063 1.904 52 HB ILE 6 HB ILE 6 7.912 11.340 4.593 53 HG12 ILE 6 2HG1 ILE 6 8.896 9.277 2.747 54 HG13 ILE 6 1HG1 ILE 6 9.223 10.919 2.216 55 HG21 ILE 6 1HG2 ILE 6 7.449 8.874 4.677 56 HG22 ILE 6 2HG2 ILE 6 6.452 9.089 3.240 57 HG23 ILE 6 3HG2 ILE 6 6.022 9.908 4.736 58 HD11 ILE 6 3HD1 ILE 6 11.076 10.030 3.502 59 HD12 ILE 6 1HD1 ILE 6 9.998 9.715 4.861 60 HD13 ILE 6 2HD1 ILE 6 10.321 11.374 4.352 61 H LEU 7 H LEU 7 4.646 12.236 1.751 62 HA LEU 7 HA LEU 7 3.661 13.831 3.907 63 HB2 LEU 7 2HB LEU 7 2.607 12.883 1.293 64 HB3 LEU 7 1HB LEU 7 1.451 13.423 2.494 65 HG LEU 7 HG LEU 7 2.952 15.552 2.610 66 HD11 LEU 7 1HD1 LEU 7 4.457 15.942 0.986 67 HD12 LEU 7 2HD1 LEU 7 3.509 15.107 -0.242 68 HD13 LEU 7 3HD1 LEU 7 4.505 14.181 0.879 69 HD21 LEU 7 3HD2 LEU 7 1.690 16.474 0.612 70 HD22 LEU 7 1HD2 LEU 7 0.717 15.730 1.880 71 HD23 LEU 7 2HD2 LEU 7 1.053 14.851 0.389 72 H ASN 8 H ASN 8 1.992 11.054 2.458 73 HA ASN 8 HA ASN 8 1.494 10.029 5.172 74 HB2 ASN 8 2HB ASN 8 -0.432 11.186 3.586 75 HB3 ASN 8 1HB ASN 8 -0.630 9.475 3.226 76 HD21 ASN 8 1HD2 ASN 8 -2.702 9.685 4.239 77 HD22 ASN 8 2HD2 ASN 8 -2.831 9.619 5.960 78 H LEU 9 H LEU 9 3.500 9.252 3.200 79 HA LEU 9 HA LEU 9 2.590 6.671 2.203 80 HB2 LEU 9 2HB LEU 9 5.124 8.257 1.928 81 HB3 LEU 9 1HB LEU 9 5.095 6.541 1.531 82 HG LEU 9 HG LEU 9 2.932 7.482 0.131 83 HD11 LEU 9 1HD1 LEU 9 3.627 9.485 -1.034 84 HD12 LEU 9 2HD1 LEU 9 5.093 9.574 -0.059 85 HD13 LEU 9 3HD1 LEU 9 3.516 9.799 0.697 86 HD21 LEU 9 3HD2 LEU 9 4.475 5.950 -0.803 87 HD22 LEU 9 1HD2 LEU 9 5.804 7.102 -0.682 88 HD23 LEU 9 2HD2 LEU 9 4.500 7.376 -1.839 89 H LYS 10 H LYS 10 4.932 8.017 4.444 90 HA LYS 10 HA LYS 10 6.179 5.826 5.469 91 HB2 LYS 10 2HB LYS 10 5.672 8.523 6.252 92 HB3 LYS 10 1HB LYS 10 5.460 7.493 7.666 93 HG2 LYS 10 2HG LYS 10 7.659 6.817 7.673 94 HG3 LYS 10 1HG LYS 10 7.881 7.151 5.957 95 HD2 LYS 10 2HD LYS 10 9.077 8.834 7.093 96 HD3 LYS 10 1HD LYS 10 7.590 9.599 6.529 97 HE2 LYS 10 2HE LYS 10 7.565 8.385 9.239 98 HE3 LYS 10 1HE LYS 10 8.492 9.869 9.030 99 HZ1 LYS 10 3HZ LYS 10 5.606 9.438 8.873 100 HZ2 LYS 10 1HZ LYS 10 6.268 10.586 7.822 101 HZ3 LYS 10 2HZ LYS 10 6.477 10.755 9.499 102 H GLN 11 H GLN 11 2.938 6.967 6.113 103 HA GLN 11 HA GLN 11 2.401 4.988 8.142 104 HB2 GLN 11 2HB GLN 11 1.348 7.163 8.319 105 HB3 GLN 11 1HB GLN 11 0.632 6.986 6.722 106 HG2 GLN 11 2HG GLN 11 -1.134 6.515 8.122 107 HG3 GLN 11 1HG GLN 11 -0.526 4.907 7.733 108 HE21 GLN 11 1HE2 GLN 11 -0.514 3.619 9.416 109 HE22 GLN 11 2HE2 GLN 11 -0.183 4.070 11.052 110 H ALA 12 H ALA 12 1.640 5.543 4.746 111 HA ALA 12 HA ALA 12 -0.165 3.398 4.417 112 HB1 ALA 12 1HB ALA 12 -0.206 3.972 2.216 113 HB2 ALA 12 2HB ALA 12 1.540 4.203 2.130 114 HB3 ALA 12 3HB ALA 12 0.522 5.445 2.858 115 H LYS 13 H LYS 13 3.323 3.668 3.768 116 HA LYS 13 HA LYS 13 3.619 0.968 2.937 117 HB2 LYS 13 2HB LYS 13 5.745 2.816 4.028 118 HB3 LYS 13 1HB LYS 13 6.005 1.381 3.048 119 HG2 LYS 13 2HG LYS 13 4.663 2.538 1.241 120 HG3 LYS 13 1HG LYS 13 4.798 4.001 2.218 121 HD2 LYS 13 2HD LYS 13 7.318 3.565 2.198 122 HD3 LYS 13 1HD LYS 13 6.985 2.420 0.897 123 HE2 LYS 13 2HE LYS 13 6.752 4.056 -0.598 124 HE3 LYS 13 1HE LYS 13 5.662 4.957 0.453 125 HZ1 LYS 13 3HZ LYS 13 7.957 5.943 -0.218 126 HZ2 LYS 13 1HZ LYS 13 8.540 4.971 1.039 127 HZ3 LYS 13 2HZ LYS 13 7.373 6.154 1.355 128 H GLU 14 H GLU 14 4.442 2.638 5.971 129 HA GLU 14 HA GLU 14 5.468 0.527 7.415 130 HB2 GLU 14 2HB GLU 14 5.414 2.809 8.319 131 HB3 GLU 14 1HB GLU 14 3.661 2.718 8.479 132 HG2 GLU 14 2HG GLU 14 3.773 1.574 10.391 133 HG3 GLU 14 1HG GLU 14 5.103 0.564 9.827 134 H GLU 15 H GLU 15 2.099 1.293 6.772 135 HA GLU 15 HA GLU 15 1.050 -0.755 8.475 136 HB2 GLU 15 2HB GLU 15 -0.021 1.261 6.615 137 HB3 GLU 15 1HB GLU 15 -0.964 -0.221 6.704 138 HG2 GLU 15 2HG GLU 15 -1.351 0.049 9.014 139 HG3 GLU 15 1HG GLU 15 -0.131 1.315 9.144 140 H ALA 16 H ALA 16 1.984 -0.510 5.110 141 HA ALA 16 HA ALA 16 0.741 -2.744 4.039 142 HB1 ALA 16 1HB ALA 16 2.509 -2.750 2.361 143 HB2 ALA 16 2HB ALA 16 3.489 -1.694 3.377 144 HB3 ALA 16 3HB ALA 16 1.971 -1.104 2.700 145 H ILE 17 H ILE 17 3.838 -2.527 5.755 146 HA ILE 17 HA ILE 17 4.355 -5.345 5.543 147 HB ILE 17 HB ILE 17 5.671 -3.429 7.478 148 HG12 ILE 17 2HG1 ILE 17 7.515 -3.562 5.615 149 HG13 ILE 17 1HG1 ILE 17 6.167 -3.963 4.560 150 HG21 ILE 17 1HG2 ILE 17 5.984 -5.810 7.954 151 HG22 ILE 17 2HG2 ILE 17 7.490 -5.034 7.463 152 HG23 ILE 17 3HG2 ILE 17 6.608 -6.048 6.321 153 HD11 ILE 17 3HD1 ILE 17 5.587 -1.655 6.189 154 HD12 ILE 17 1HD1 ILE 17 5.536 -1.850 4.438 155 HD13 ILE 17 2HD1 ILE 17 7.055 -1.438 5.234 156 H LYS 18 H LYS 18 3.334 -3.197 8.159 157 HA LYS 18 HA LYS 18 3.115 -5.043 10.216 158 HB2 LYS 18 2HB LYS 18 2.963 -2.616 10.550 159 HB3 LYS 18 1HB LYS 18 1.418 -2.593 9.711 160 HG2 LYS 18 2HG LYS 18 1.187 -2.495 12.156 161 HG3 LYS 18 1HG LYS 18 0.398 -3.906 11.450 162 HD2 LYS 18 2HD LYS 18 1.715 -5.330 12.567 163 HD3 LYS 18 1HD LYS 18 3.172 -4.409 12.193 164 HE2 LYS 18 2HE LYS 18 1.571 -2.945 14.062 165 HE3 LYS 18 1HE LYS 18 1.810 -4.588 14.655 166 HZ1 LYS 18 3HZ LYS 18 3.738 -2.448 14.295 167 HZ2 LYS 18 1HZ LYS 18 4.273 -3.991 13.855 168 HZ3 LYS 18 2HZ LYS 18 3.714 -3.707 15.426 169 H GLU 19 H GLU 19 0.643 -3.987 7.876 170 HA GLU 19 HA GLU 19 -1.419 -5.631 8.835 171 HB2 GLU 19 2HB GLU 19 -0.911 -4.689 5.999 172 HB3 GLU 19 1HB GLU 19 -2.420 -5.378 6.580 173 HG2 GLU 19 2HG GLU 19 -1.309 -2.993 7.965 174 HG3 GLU 19 1HG GLU 19 -2.087 -2.786 6.397 175 H LEU 20 H LEU 20 1.109 -6.182 6.416 176 HA LEU 20 HA LEU 20 0.318 -8.795 5.712 177 HB2 LEU 20 2HB LEU 20 2.294 -7.046 4.940 178 HB3 LEU 20 1HB LEU 20 3.208 -8.309 5.756 179 HG LEU 20 HG LEU 20 1.651 -9.857 4.226 180 HD11 LEU 20 1HD1 LEU 20 0.533 -8.780 2.661 181 HD12 LEU 20 2HD1 LEU 20 2.029 -8.074 2.049 182 HD13 LEU 20 3HD1 LEU 20 1.102 -7.242 3.310 183 HD21 LEU 20 3HD2 LEU 20 4.227 -9.483 4.356 184 HD22 LEU 20 1HD2 LEU 20 3.975 -8.534 2.893 185 HD23 LEU 20 2HD2 LEU 20 3.520 -10.238 2.928 186 H VAL 21 H VAL 21 2.297 -7.427 8.262 187 HA VAL 21 HA VAL 21 3.325 -9.811 9.306 188 HB VAL 21 HB VAL 21 2.742 -7.289 10.868 189 HG11 VAL 21 1HG1 VAL 21 3.222 -8.707 12.552 190 HG12 VAL 21 2HG1 VAL 21 4.879 -8.355 12.058 191 HG13 VAL 21 3HG1 VAL 21 4.091 -9.836 11.506 192 HG21 VAL 21 3HG2 VAL 21 4.373 -6.335 9.682 193 HG22 VAL 21 1HG2 VAL 21 4.659 -7.825 8.793 194 HG23 VAL 21 2HG2 VAL 21 5.486 -7.529 10.321 195 H ASP 22 H ASP 22 0.295 -8.114 9.781 196 HA ASP 22 HA ASP 22 -0.607 -9.623 12.005 197 HB2 ASP 22 2HB ASP 22 -1.527 -7.404 11.244 198 HB3 ASP 22 1HB ASP 22 -2.331 -8.263 9.935 199 H ALA 23 H ALA 23 -0.477 -10.259 8.609 200 HA ALA 23 HA ALA 23 -1.905 -12.787 9.061 201 HB1 ALA 23 1HB ALA 23 -2.742 -12.599 6.699 202 HB2 ALA 23 2HB ALA 23 -2.196 -10.922 6.724 203 HB3 ALA 23 3HB ALA 23 -3.443 -11.460 7.849 204 H GLY 24 H GLY 24 -0.394 -11.533 6.117 205 HA2 GLY 24 2HA GLY 24 2.106 -12.416 6.058 206 HA3 GLY 24 1HA GLY 24 1.234 -13.948 5.968 207 H THR 25 H THR 25 -0.379 -14.125 4.195 208 HA THR 25 HA THR 25 -0.597 -14.356 1.922 209 HB THR 25 HB THR 25 -1.927 -12.329 2.629 210 HG1 THR 25 1HG THR 25 -1.938 -13.343 0.483 211 HG21 THR 25 3HG2 THR 25 0.287 -10.817 1.256 212 HG22 THR 25 1HG2 THR 25 -0.073 -10.764 2.982 213 HG23 THR 25 2HG2 THR 25 -1.250 -10.160 1.820 214 H ALA 26 H ALA 26 0.066 -12.689 -0.192 215 HA ALA 26 HA ALA 26 2.798 -13.431 -0.619 216 HB1 ALA 26 1HB ALA 26 0.713 -13.249 -2.259 217 HB2 ALA 26 2HB ALA 26 2.380 -13.111 -2.821 218 HB3 ALA 26 3HB ALA 26 1.420 -11.656 -2.535 219 H GLU 27 H GLU 27 4.261 -12.251 0.511 220 HA GLU 27 HA GLU 27 4.049 -9.543 1.168 221 HB2 GLU 27 2HB GLU 27 6.471 -9.639 1.609 222 HB3 GLU 27 1HB GLU 27 5.627 -11.022 2.286 223 HG2 GLU 27 2HG GLU 27 6.979 -12.391 1.203 224 HG3 GLU 27 1HG GLU 27 6.451 -11.703 -0.338 225 H LYS 28 H LYS 28 5.116 -11.110 -1.757 226 HA LYS 28 HA LYS 28 6.637 -9.191 -2.995 227 HB2 LYS 28 2HB LYS 28 4.636 -11.168 -4.026 228 HB3 LYS 28 1HB LYS 28 5.350 -10.006 -5.136 229 HG2 LYS 28 2HG LYS 28 7.101 -11.334 -5.362 230 HG3 LYS 28 1HG LYS 28 7.473 -11.108 -3.652 231 HD2 LYS 28 2HD LYS 28 6.659 -13.130 -3.080 232 HD3 LYS 28 1HD LYS 28 5.324 -13.035 -4.222 233 HE2 LYS 28 2HE LYS 28 6.905 -13.516 -6.059 234 HE3 LYS 28 1HE LYS 28 8.193 -13.709 -4.864 235 HZ1 LYS 28 3HZ LYS 28 5.866 -15.438 -5.377 236 HZ2 LYS 28 1HZ LYS 28 6.583 -15.429 -3.843 237 HZ3 LYS 28 2HZ LYS 28 7.496 -15.859 -5.199 238 H TYR 29 H TYR 29 3.200 -9.183 -2.370 239 HA TYR 29 HA TYR 29 2.443 -7.112 -4.115 240 HB2 TYR 29 2HB TYR 29 1.271 -8.566 -1.884 241 HB3 TYR 29 1HB TYR 29 0.798 -6.865 -1.875 242 HD1 TYR 29 2HD TYR 29 -0.065 -5.960 -4.197 243 HD2 TYR 29 1HD TYR 29 0.125 -10.063 -3.112 244 HE1 TYR 29 2HE TYR 29 -1.748 -6.487 -5.909 245 HE2 TYR 29 1HE TYR 29 -1.545 -10.600 -4.806 246 HH TYR 29 HH TYR 29 -2.255 -9.167 -7.227 247 H ILE 30 H ILE 30 3.881 -7.138 -0.922 248 HA ILE 30 HA ILE 30 3.604 -4.346 -0.419 249 HB ILE 30 HB ILE 30 5.633 -6.245 0.763 250 HG12 ILE 30 2HG1 ILE 30 3.723 -7.291 1.452 251 HG13 ILE 30 1HG1 ILE 30 3.780 -6.039 2.686 252 HG21 ILE 30 1HG2 ILE 30 4.563 -4.003 2.339 253 HG22 ILE 30 2HG2 ILE 30 5.583 -3.548 0.974 254 HG23 ILE 30 3HG2 ILE 30 6.207 -4.628 2.221 255 HD11 ILE 30 3HD1 ILE 30 2.003 -6.276 0.307 256 HD12 ILE 30 1HD1 ILE 30 2.336 -4.691 1.005 257 HD13 ILE 30 2HD1 ILE 30 1.589 -5.946 1.989 258 H LYS 31 H LYS 31 5.914 -6.375 -2.036 259 HA LYS 31 HA LYS 31 8.065 -4.578 -2.217 260 HB2 LYS 31 2HB LYS 31 8.192 -6.983 -2.830 261 HB3 LYS 31 1HB LYS 31 7.206 -6.647 -4.253 262 HG2 LYS 31 2HG LYS 31 8.972 -5.988 -5.418 263 HG3 LYS 31 1HG LYS 31 9.487 -4.889 -4.139 264 HD2 LYS 31 2HD LYS 31 11.086 -6.291 -3.465 265 HD3 LYS 31 1HD LYS 31 9.963 -7.651 -3.414 266 HE2 LYS 31 2HE LYS 31 10.221 -7.899 -5.863 267 HE3 LYS 31 1HE LYS 31 11.417 -6.610 -5.835 268 HZ1 LYS 31 3HZ LYS 31 12.574 -8.099 -4.101 269 HZ2 LYS 31 1HZ LYS 31 12.694 -8.511 -5.738 270 HZ3 LYS 31 2HZ LYS 31 11.616 -9.335 -4.740 271 H LEU 32 H LEU 32 5.047 -4.846 -3.925 272 HA LEU 32 HA LEU 32 5.738 -2.981 -6.004 273 HB2 LEU 32 2HB LEU 32 3.788 -4.905 -5.688 274 HB3 LEU 32 1HB LEU 32 2.882 -3.413 -5.483 275 HG LEU 32 HG LEU 32 2.755 -4.058 -7.784 276 HD11 LEU 32 1HD1 LEU 32 2.852 -1.727 -7.612 277 HD12 LEU 32 2HD1 LEU 32 4.025 -2.127 -8.867 278 HD13 LEU 32 3HD1 LEU 32 4.577 -1.738 -7.238 279 HD21 LEU 32 3HD2 LEU 32 5.731 -4.351 -7.562 280 HD22 LEU 32 1HD2 LEU 32 4.939 -4.129 -9.121 281 HD23 LEU 32 2HD2 LEU 32 4.541 -5.526 -8.121 282 H ILE 33 H ILE 33 4.051 -2.871 -2.909 283 HA ILE 33 HA ILE 33 2.974 -0.280 -3.207 284 HB ILE 33 HB ILE 33 2.381 -0.335 -0.948 285 HG12 ILE 33 2HG1 ILE 33 3.705 -2.493 0.270 286 HG13 ILE 33 1HG1 ILE 33 4.954 -1.598 -0.578 287 HG21 ILE 33 1HG2 ILE 33 1.914 -2.530 -2.557 288 HG22 ILE 33 2HG2 ILE 33 1.028 -2.080 -1.100 289 HG23 ILE 33 3HG2 ILE 33 2.362 -3.222 -0.998 290 HD11 ILE 33 3HD1 ILE 33 4.493 -0.957 1.827 291 HD12 ILE 33 1HD1 ILE 33 2.992 -0.246 1.232 292 HD13 ILE 33 2HD1 ILE 33 4.544 0.351 0.646 293 H ALA 34 H ALA 34 6.128 -1.419 -2.259 294 HA ALA 34 HA ALA 34 7.262 0.578 -0.832 295 HB1 ALA 34 1HB ALA 34 9.292 0.159 -2.532 296 HB2 ALA 34 2HB ALA 34 8.274 -1.220 -2.946 297 HB3 ALA 34 3HB ALA 34 8.824 -0.997 -1.286 298 H ASN 35 H ASN 35 6.648 0.651 -4.313 299 HA ASN 35 HA ASN 35 7.369 3.501 -4.347 300 HB2 ASN 35 2HB ASN 35 7.724 1.315 -6.240 301 HB3 ASN 35 1HB ASN 35 6.923 2.703 -6.985 302 HD21 ASN 35 1HD2 ASN 35 9.536 1.690 -7.546 303 HD22 ASN 35 2HD2 ASN 35 10.661 2.953 -7.187 304 H ALA 36 H ALA 36 4.834 1.188 -4.905 305 HA ALA 36 HA ALA 36 2.660 1.384 -5.608 306 HB1 ALA 36 1HB ALA 36 1.512 3.250 -4.174 307 HB2 ALA 36 2HB ALA 36 3.091 3.320 -3.391 308 HB3 ALA 36 3HB ALA 36 2.184 1.808 -3.412 309 H LYS 37 H LYS 37 2.674 4.809 -4.971 310 HA LYS 37 HA LYS 37 3.301 6.020 -7.307 311 HB2 LYS 37 2HB LYS 37 0.851 4.434 -7.609 312 HB3 LYS 37 1HB LYS 37 0.646 6.127 -8.062 313 HG2 LYS 37 2HG LYS 37 3.059 5.315 -9.226 314 HG3 LYS 37 1HG LYS 37 1.924 3.991 -9.494 315 HD2 LYS 37 2HD LYS 37 1.450 6.892 -10.178 316 HD3 LYS 37 1HD LYS 37 1.858 5.614 -11.325 317 HE2 LYS 37 2HE LYS 37 -0.409 4.868 -9.702 318 HE3 LYS 37 1HE LYS 37 -0.693 6.408 -10.512 319 HZ1 LYS 37 3HZ LYS 37 0.323 4.994 -12.513 320 HZ2 LYS 37 1HZ LYS 37 -1.334 5.053 -12.174 321 HZ3 LYS 37 2HZ LYS 37 -0.405 3.744 -11.638 322 H THR 38 H THR 38 0.892 5.690 -4.806 323 HA THR 38 HA THR 38 1.227 8.404 -3.971 324 HB THR 38 HB THR 38 -1.615 7.782 -4.630 325 HG1 THR 38 1HG THR 38 -1.401 8.208 -6.706 326 HG21 THR 38 3HG2 THR 38 -0.947 10.384 -5.364 327 HG22 THR 38 1HG2 THR 38 -0.095 10.086 -3.849 328 HG23 THR 38 2HG2 THR 38 -1.844 9.866 -3.934 329 H VAL 39 H VAL 39 -0.484 8.859 -2.143 330 HA VAL 39 HA VAL 39 -0.073 7.018 -0.104 331 HB VAL 39 HB VAL 39 -1.940 8.177 1.098 332 HG11 VAL 39 1HG1 VAL 39 0.389 8.984 1.156 333 HG12 VAL 39 2HG1 VAL 39 -0.782 10.293 1.301 334 HG13 VAL 39 3HG1 VAL 39 0.046 10.017 -0.232 335 HG21 VAL 39 3HG2 VAL 39 -2.585 10.373 -0.251 336 HG22 VAL 39 1HG2 VAL 39 -3.526 8.886 -0.377 337 HG23 VAL 39 2HG2 VAL 39 -2.346 9.292 -1.624 338 H GLU 40 H GLU 40 -2.953 7.465 -2.140 339 HA GLU 40 HA GLU 40 -4.435 5.367 -0.930 340 HB2 GLU 40 2HB GLU 40 -5.372 7.300 -2.274 341 HB3 GLU 40 1HB GLU 40 -4.823 6.457 -3.717 342 HG2 GLU 40 2HG GLU 40 -6.243 4.544 -3.116 343 HG3 GLU 40 1HG GLU 40 -6.822 5.438 -1.710 344 H GLY 41 H GLY 41 -2.360 5.561 -3.784 345 HA2 GLY 41 2HA GLY 41 -2.878 3.073 -4.907 346 HA3 GLY 41 1HA GLY 41 -1.336 3.910 -5.009 347 H VAL 42 H VAL 42 -0.852 3.907 -2.159 348 HA VAL 42 HA VAL 42 0.340 1.310 -1.950 349 HB VAL 42 HB VAL 42 0.156 3.107 0.433 350 HG11 VAL 42 1HG1 VAL 42 2.514 1.624 -0.713 351 HG12 VAL 42 2HG1 VAL 42 1.366 0.904 0.423 352 HG13 VAL 42 3HG1 VAL 42 2.337 2.293 0.910 353 HG21 VAL 42 3HG2 VAL 42 1.244 3.909 -2.158 354 HG22 VAL 42 1HG2 VAL 42 2.397 4.049 -0.830 355 HG23 VAL 42 2HG2 VAL 42 0.846 4.882 -0.743 356 H TRP 43 H TRP 43 -2.198 3.038 -0.156 357 HA TRP 43 HA TRP 43 -2.884 1.000 1.624 358 HB2 TRP 43 2HB TRP 43 -4.030 3.510 0.736 359 HB3 TRP 43 1HB TRP 43 -5.285 2.302 0.963 360 HD1 TRP 43 HD TRP 43 -5.758 1.430 3.412 361 HE1 TRP 43 1HE TRP 43 -5.157 2.357 5.733 362 HE3 TRP 43 3HE TRP 43 -2.129 4.803 2.057 363 HZ2 TRP 43 2HZ TRP 43 -3.398 4.250 6.846 364 HZ3 TRP 43 3HZ TRP 43 -1.052 6.123 3.821 365 HH2 TRP 43 HH TRP 43 -1.670 5.854 6.164 366 H THR 44 H THR 44 -3.630 1.458 -1.744 367 HA THR 44 HA THR 44 -5.777 -0.386 -1.912 368 HB THR 44 HB THR 44 -3.886 0.543 -4.081 369 HG1 THR 44 1HG THR 44 -4.890 2.320 -3.271 370 HG21 THR 44 3HG2 THR 44 -5.265 -0.285 -5.665 371 HG22 THR 44 1HG2 THR 44 -6.701 -0.149 -4.649 372 HG23 THR 44 2HG2 THR 44 -5.570 -1.479 -4.403 373 H LEU 45 H LEU 45 -2.346 -0.684 -2.865 374 HA LEU 45 HA LEU 45 -2.389 -3.322 -3.692 375 HB2 LEU 45 2HB LEU 45 -0.230 -1.628 -2.506 376 HB3 LEU 45 1HB LEU 45 0.049 -3.347 -2.682 377 HD11 LEU 45 1HD2 LEU 45 0.624 -4.225 -5.108 378 HD12 LEU 45 2HD2 LEU 45 -0.280 -3.380 -6.366 379 HD13 LEU 45 3HD2 LEU 45 -1.133 -4.115 -5.009 380 HD21 LEU 45 3HD1 LEU 45 -1.953 -1.259 -4.821 381 HD22 LEU 45 1HD1 LEU 45 -0.917 -1.321 -6.247 382 HD23 LEU 45 2HD1 LEU 45 -0.518 -0.238 -4.915 383 H LYS 46 H LYS 46 -1.612 -2.196 -0.384 384 HA LYS 46 HA LYS 46 -1.367 -4.749 0.755 385 HB2 LYS 46 2HB LYS 46 -1.764 -3.585 2.929 386 HB3 LYS 46 1HB LYS 46 -0.518 -2.846 1.933 387 HG2 LYS 46 2HG LYS 46 -2.383 -1.269 1.131 388 HG3 LYS 46 1HG LYS 46 -3.278 -1.855 2.534 389 HD2 LYS 46 2HD LYS 46 -0.770 -1.263 3.547 390 HD3 LYS 46 1HD LYS 46 -1.072 0.031 2.384 391 HE2 LYS 46 2HE LYS 46 -3.288 0.391 3.473 392 HE3 LYS 46 1HE LYS 46 -2.820 -0.782 4.702 393 HZ1 LYS 46 3HZ LYS 46 -1.901 1.951 4.295 394 HZ2 LYS 46 1HZ LYS 46 -0.736 0.834 4.805 395 HZ3 LYS 46 2HZ LYS 46 -2.129 1.087 5.732 396 H ASP 47 H ASP 47 -4.164 -2.516 0.872 397 HA ASP 47 HA ASP 47 -5.902 -4.297 2.167 398 HB2 ASP 47 2HB ASP 47 -6.365 -1.870 0.448 399 HB3 ASP 47 1HB ASP 47 -7.710 -2.797 1.106 400 H GLU 48 H GLU 48 -5.089 -3.864 -1.204 401 HA GLU 48 HA GLU 48 -7.204 -5.252 -2.389 402 HB2 GLU 48 2HB GLU 48 -5.614 -3.947 -3.699 403 HB3 GLU 48 1HB GLU 48 -4.316 -5.054 -3.267 404 HG2 GLU 48 2HG GLU 48 -6.623 -6.343 -4.519 405 HG3 GLU 48 1HG GLU 48 -5.795 -5.172 -5.546 406 H ILE 49 H ILE 49 -4.292 -6.368 -0.805 407 HA ILE 49 HA ILE 49 -4.601 -9.104 -1.622 408 HB ILE 49 HB ILE 49 -3.006 -8.207 0.765 409 HG12 ILE 49 2HG1 ILE 49 -1.545 -8.423 -1.771 410 HG13 ILE 49 1HG1 ILE 49 -2.670 -7.071 -1.723 411 HG21 ILE 49 1HG2 ILE 49 -1.533 -10.097 -0.326 412 HG22 ILE 49 2HG2 ILE 49 -3.076 -10.570 -1.036 413 HG23 ILE 49 3HG2 ILE 49 -2.901 -10.487 0.716 414 HD11 ILE 49 3HD1 ILE 49 -0.869 -6.036 -0.847 415 HD12 ILE 49 1HD1 ILE 49 -0.182 -7.529 -0.208 416 HD13 ILE 49 2HD1 ILE 49 -1.500 -6.729 0.647 417 H LYS 50 H LYS 50 -5.580 -7.129 1.098 418 HA LYS 50 HA LYS 50 -6.352 -9.265 2.807 419 HB2 LYS 50 2HB LYS 50 -7.509 -6.480 2.831 420 HB3 LYS 50 1HB LYS 50 -7.385 -7.606 4.175 421 HG2 LYS 50 2HG LYS 50 -5.118 -6.183 2.803 422 HG3 LYS 50 1HG LYS 50 -5.740 -5.880 4.425 423 HD2 LYS 50 2HD LYS 50 -5.188 -8.477 4.675 424 HD3 LYS 50 1HD LYS 50 -4.011 -8.071 3.425 425 HE2 LYS 50 2HE LYS 50 -2.748 -6.848 4.834 426 HE3 LYS 50 1HE LYS 50 -4.148 -6.185 5.675 427 HZ1 LYS 50 3HZ LYS 50 -2.576 -8.552 6.272 428 HZ2 LYS 50 1HZ LYS 50 -4.250 -8.715 6.477 429 HZ3 LYS 50 2HZ LYS 50 -3.408 -7.512 7.314 430 H THR 51 H THR 51 -8.197 -7.135 0.636 431 HA THR 51 HA THR 51 -10.686 -8.419 1.107 432 HB THR 51 HB THR 51 -10.873 -7.214 -1.400 433 HG1 THR 51 1HG THR 51 -9.283 -5.546 0.234 434 HG21 THR 51 3HG2 THR 51 -12.473 -6.107 -0.360 435 HG22 THR 51 1HG2 THR 51 -11.296 -5.260 0.644 436 HG23 THR 51 2HG2 THR 51 -11.932 -6.823 1.161 437 H PHE 52 H PHE 52 -7.982 -9.198 -0.864 438 HA PHE 52 HA PHE 52 -9.556 -10.978 -2.566 439 HB2 PHE 52 2HB PHE 52 -7.651 -9.429 -3.395 440 HB3 PHE 52 1HB PHE 52 -6.575 -10.643 -2.711 441 HD1 PHE 52 2HD PHE 52 -9.107 -9.978 -5.287 442 HD2 PHE 52 1HD PHE 52 -6.273 -12.763 -3.764 443 HE1 PHE 52 2HE PHE 52 -9.306 -11.303 -7.351 444 HE2 PHE 52 1HE PHE 52 -6.465 -14.092 -5.825 445 HZ PHE 52 HZ PHE 52 -7.984 -13.364 -7.622 446 H THR 53 H THR 53 -9.105 -11.455 0.322 447 HA THR 53 HA THR 53 -8.542 -13.106 1.773 448 HB THR 53 HB THR 53 -10.161 -14.247 0.235 449 HG1 THR 53 1HG THR 53 -8.309 -16.154 1.128 450 HG21 THR 53 3HG2 THR 53 -7.641 -15.177 -1.077 451 HG22 THR 53 1HG2 THR 53 -9.121 -14.562 -1.811 452 HG23 THR 53 2HG2 THR 53 -9.097 -16.168 -1.083 453 H VAL 54 H VAL 54 -7.042 -15.083 2.129 454 HA VAL 54 HA VAL 54 -4.409 -14.362 1.030 455 HB VAL 54 HB VAL 54 -4.828 -15.992 3.520 456 HG11 VAL 54 1HG1 VAL 54 -2.608 -15.785 3.840 457 HG12 VAL 54 2HG1 VAL 54 -2.554 -14.147 3.210 458 HG13 VAL 54 3HG1 VAL 54 -2.589 -15.512 2.099 459 HG21 VAL 54 3HG2 VAL 54 -6.018 -14.034 4.048 460 HG22 VAL 54 1HG2 VAL 54 -4.843 -13.003 3.233 461 HG23 VAL 54 2HG2 VAL 54 -4.415 -13.807 4.745 462 H THR 55 H THR 55 -4.158 -15.645 -0.729 463 HA THR 55 HA THR 55 -4.030 -18.523 -0.237 464 HB THR 55 HB THR 55 -5.029 -18.783 -2.619 465 HG1 THR 55 1HG THR 55 -5.168 -16.647 -3.204 466 HG21 THR 55 3HG2 THR 55 -7.396 -18.591 -1.713 467 HG22 THR 55 1HG2 THR 55 -6.645 -18.124 -0.187 468 HG23 THR 55 2HG2 THR 55 -6.301 -19.699 -0.896 469 H GLU 56 H GLU 56 -3.412 -15.918 -2.573 470 HA GLU 56 HA GLU 56 -0.953 -17.319 -3.371 471 HB2 GLU 56 2HB GLU 56 -3.031 -16.408 -4.966 472 HB3 GLU 56 1HB GLU 56 -1.782 -15.187 -5.158 473 HG2 GLU 56 2HG GLU 56 -0.359 -17.505 -5.394 474 HG3 GLU 56 1HG GLU 56 -1.899 -17.932 -6.140 Start of MODEL 17 1 H1 THR 1 1HT THR 1 10.275 19.355 8.201 2 H2 THR 1 2HT THR 1 8.793 20.185 7.971 3 H3 THR 1 3HT THR 1 9.444 19.220 6.710 4 HA THR 1 HA THR 1 7.793 17.941 7.590 5 HB THR 1 HB THR 1 10.327 17.148 9.037 6 HG1 THR 1 1HG THR 1 10.779 16.027 7.080 7 HG21 THR 1 1HG2 THR 1 7.943 15.585 8.118 8 HG22 THR 1 2HG2 THR 1 8.681 15.637 9.717 9 HG23 THR 1 3HG2 THR 1 9.517 14.834 8.389 10 H THR 2 H THR 2 9.896 18.604 10.390 11 HA THR 2 HA THR 2 9.440 18.915 12.601 12 HB THR 2 HB THR 2 7.801 20.555 13.133 13 HG1 THR 2 1HG THR 2 6.593 20.190 10.601 14 HG21 THR 2 3HG2 THR 2 8.043 22.280 11.390 15 HG22 THR 2 1HG2 THR 2 8.783 21.075 10.340 16 HG23 THR 2 2HG2 THR 2 9.572 21.531 11.847 17 H TYR 3 H TYR 3 8.674 16.411 11.578 18 HA TYR 3 HA TYR 3 6.446 15.781 13.390 19 HB2 TYR 3 2HB TYR 3 6.371 15.584 10.566 20 HB3 TYR 3 1HB TYR 3 6.446 13.940 11.191 21 HD1 TYR 3 1HD TYR 3 4.695 13.166 12.807 22 HD2 TYR 3 2HD TYR 3 4.387 16.873 10.743 23 HE1 TYR 3 1HE TYR 3 2.286 13.241 13.311 24 HE2 TYR 3 2HE TYR 3 1.984 16.964 11.247 25 HH TYR 3 HH TYR 3 0.159 15.362 11.794 26 H LYS 4 H LYS 4 6.363 13.390 13.878 27 HA LYS 4 HA LYS 4 8.993 12.529 14.661 28 HB2 LYS 4 2HB LYS 4 6.345 11.111 15.000 29 HB3 LYS 4 1HB LYS 4 7.847 10.734 15.835 30 HG2 LYS 4 2HG LYS 4 7.590 12.391 17.328 31 HG3 LYS 4 1HG LYS 4 6.922 13.504 16.134 32 HD2 LYS 4 2HD LYS 4 5.173 13.054 17.665 33 HD3 LYS 4 1HD LYS 4 4.808 12.116 16.216 34 HE2 LYS 4 2HE LYS 4 4.420 10.616 17.957 35 HE3 LYS 4 1HE LYS 4 6.039 10.196 17.394 36 HZ1 LYS 4 3HZ LYS 4 6.938 11.576 19.207 37 HZ2 LYS 4 1HZ LYS 4 6.024 10.268 19.772 38 HZ3 LYS 4 2HZ LYS 4 5.366 11.826 19.779 39 H LEU 5 H LEU 5 9.432 12.503 12.183 40 HA LEU 5 HA LEU 5 10.092 11.254 10.403 41 HB2 LEU 5 2HB LEU 5 10.401 9.662 12.666 42 HB3 LEU 5 1HB LEU 5 9.603 8.621 11.509 43 HG LEU 5 HG LEU 5 11.623 9.809 10.022 44 HD11 LEU 5 1HD1 LEU 5 12.371 10.359 12.553 45 HD12 LEU 5 2HD1 LEU 5 13.500 10.090 11.225 46 HD13 LEU 5 3HD1 LEU 5 13.109 8.772 12.330 47 HD21 LEU 5 3HD2 LEU 5 10.693 7.328 10.437 48 HD22 LEU 5 1HD2 LEU 5 12.213 7.225 11.325 49 HD23 LEU 5 2HD2 LEU 5 12.223 7.665 9.621 50 H ILE 6 H ILE 6 7.282 11.960 10.743 51 HA ILE 6 HA ILE 6 6.061 9.811 9.121 52 HB ILE 6 HB ILE 6 4.550 11.698 10.927 53 HG12 ILE 6 2HG1 ILE 6 4.523 8.905 11.721 54 HG13 ILE 6 1HG1 ILE 6 6.166 9.554 11.726 55 HG21 ILE 6 1HG2 ILE 6 3.532 9.104 9.872 56 HG22 ILE 6 2HG2 ILE 6 3.517 10.540 8.847 57 HG23 ILE 6 3HG2 ILE 6 2.642 10.540 10.377 58 HD11 ILE 6 3HD1 ILE 6 3.812 10.726 13.186 59 HD12 ILE 6 1HD1 ILE 6 5.457 11.360 13.196 60 HD13 ILE 6 2HD1 ILE 6 5.114 9.778 13.900 61 H LEU 7 H LEU 7 5.825 10.440 7.087 62 HA LEU 7 HA LEU 7 5.402 13.294 6.522 63 HB2 LEU 7 2HB LEU 7 6.698 11.066 5.016 64 HB3 LEU 7 1HB LEU 7 5.984 12.389 4.114 65 HG LEU 7 HG LEU 7 7.435 13.880 5.710 66 HD11 LEU 7 1HD1 LEU 7 8.485 11.152 6.136 67 HD12 LEU 7 2HD1 LEU 7 8.500 12.556 7.203 68 HD13 LEU 7 3HD1 LEU 7 9.670 12.428 5.890 69 HD21 LEU 7 3HD2 LEU 7 8.571 12.283 3.416 70 HD22 LEU 7 1HD2 LEU 7 9.273 13.763 4.077 71 HD23 LEU 7 2HD2 LEU 7 7.687 13.805 3.301 72 H ASN 8 H ASN 8 4.529 10.205 4.958 73 HA ASN 8 HA ASN 8 1.759 10.511 5.174 74 HB2 ASN 8 2HB ASN 8 2.962 12.136 3.110 75 HB3 ASN 8 1HB ASN 8 1.871 10.952 2.399 76 HD21 ASN 8 1HD2 ASN 8 2.130 13.904 4.000 77 HD22 ASN 8 2HD2 ASN 8 0.449 14.179 4.288 78 H LEU 9 H LEU 9 4.465 9.302 3.292 79 HA LEU 9 HA LEU 9 2.925 7.041 2.303 80 HB2 LEU 9 2HB LEU 9 5.727 8.031 1.881 81 HB3 LEU 9 1HB LEU 9 5.309 6.370 1.474 82 HG LEU 9 HG LEU 9 5.166 7.684 -0.520 83 HD11 LEU 9 1HD1 LEU 9 3.383 5.970 -0.031 84 HD12 LEU 9 2HD1 LEU 9 2.967 7.192 -1.232 85 HD13 LEU 9 3HD1 LEU 9 2.330 7.315 0.408 86 HD21 LEU 9 3HD2 LEU 9 4.908 9.873 0.630 87 HD22 LEU 9 1HD2 LEU 9 3.212 9.480 0.907 88 HD23 LEU 9 2HD2 LEU 9 3.818 9.657 -0.739 89 H LYS 10 H LYS 10 5.534 7.778 4.515 90 HA LYS 10 HA LYS 10 6.380 5.334 5.372 91 HB2 LYS 10 2HB LYS 10 6.400 8.020 6.318 92 HB3 LYS 10 1HB LYS 10 6.011 6.972 7.679 93 HG2 LYS 10 2HG LYS 10 8.325 6.347 5.888 94 HG3 LYS 10 1HG LYS 10 8.476 7.526 7.187 95 HD2 LYS 10 2HD LYS 10 7.186 5.134 8.140 96 HD3 LYS 10 1HD LYS 10 8.721 4.742 7.371 97 HE2 LYS 10 2HE LYS 10 9.926 5.732 8.999 98 HE3 LYS 10 1HE LYS 10 8.796 7.076 9.152 99 HZ1 LYS 10 3HZ LYS 10 8.884 4.555 10.594 100 HZ2 LYS 10 1HZ LYS 10 7.340 5.107 10.175 101 HZ3 LYS 10 2HZ LYS 10 8.361 6.079 11.106 102 H GLN 11 H GLN 11 3.413 7.008 6.178 103 HA GLN 11 HA GLN 11 2.524 5.265 8.220 104 HB2 GLN 11 2HB GLN 11 1.565 7.461 8.027 105 HB3 GLN 11 1HB GLN 11 1.058 7.151 6.371 106 HG2 GLN 11 2HG GLN 11 -0.851 7.049 7.812 107 HG3 GLN 11 1HG GLN 11 -0.501 5.429 7.213 108 HE21 GLN 11 1HE2 GLN 11 -1.611 6.889 9.792 109 HE22 GLN 11 2HE2 GLN 11 -0.961 5.908 11.056 110 H ALA 12 H ALA 12 1.985 5.385 4.726 111 HA ALA 12 HA ALA 12 0.226 3.127 4.687 112 HB1 ALA 12 1HB ALA 12 1.660 3.879 2.215 113 HB2 ALA 12 2HB ALA 12 0.656 5.126 2.953 114 HB3 ALA 12 3HB ALA 12 -0.057 3.582 2.488 115 H LYS 13 H LYS 13 3.655 3.656 3.965 116 HA LYS 13 HA LYS 13 4.226 1.053 3.060 117 HB2 LYS 13 2HB LYS 13 6.072 3.018 4.432 118 HB3 LYS 13 1HB LYS 13 6.575 1.619 3.494 119 HG2 LYS 13 2HG LYS 13 5.444 2.631 1.515 120 HG3 LYS 13 1HG LYS 13 5.168 4.078 2.485 121 HD2 LYS 13 2HD LYS 13 7.142 4.439 1.190 122 HD3 LYS 13 1HD LYS 13 7.637 4.195 2.864 123 HE2 LYS 13 2HE LYS 13 8.915 2.475 2.278 124 HE3 LYS 13 1HE LYS 13 7.541 1.668 1.526 125 HZ1 LYS 13 3HZ LYS 13 8.788 1.931 -0.313 126 HZ2 LYS 13 1HZ LYS 13 9.659 3.242 0.311 127 HZ3 LYS 13 2HZ LYS 13 8.112 3.482 -0.328 128 H GLU 14 H GLU 14 4.564 2.522 6.280 129 HA GLU 14 HA GLU 14 5.584 0.237 7.566 130 HB2 GLU 14 2HB GLU 14 4.014 2.567 8.689 131 HB3 GLU 14 1HB GLU 14 4.774 1.329 9.675 132 HG2 GLU 14 2HG GLU 14 6.683 2.391 7.823 133 HG3 GLU 14 1HG GLU 14 5.910 3.701 8.712 134 H GLU 15 H GLU 15 2.256 1.424 7.216 135 HA GLU 15 HA GLU 15 1.050 -0.623 8.743 136 HB2 GLU 15 2HB GLU 15 0.119 1.668 7.792 137 HB3 GLU 15 1HB GLU 15 -0.423 0.638 6.473 138 HG2 GLU 15 2HG GLU 15 -2.236 0.275 7.701 139 HG3 GLU 15 1HG GLU 15 -1.214 -0.758 8.699 140 H ALA 16 H ALA 16 1.921 -0.370 5.349 141 HA ALA 16 HA ALA 16 0.509 -2.579 4.367 142 HB1 ALA 16 1HB ALA 16 2.187 -2.581 2.539 143 HB2 ALA 16 2HB ALA 16 3.124 -1.394 3.443 144 HB3 ALA 16 3HB ALA 16 1.510 -0.985 2.861 145 H ILE 17 H ILE 17 3.729 -2.340 5.812 146 HA ILE 17 HA ILE 17 4.291 -5.137 5.484 147 HB ILE 17 HB ILE 17 6.146 -3.589 5.486 148 HG12 ILE 17 2HG1 ILE 17 6.282 -5.956 6.671 149 HG13 ILE 17 1HG1 ILE 17 7.641 -4.843 6.813 150 HG21 ILE 17 1HG2 ILE 17 6.778 -2.366 7.560 151 HG22 ILE 17 2HG2 ILE 17 5.228 -2.836 8.256 152 HG23 ILE 17 3HG2 ILE 17 5.275 -1.812 6.823 153 HD11 ILE 17 3HD1 ILE 17 7.360 -4.587 9.015 154 HD12 ILE 17 1HD1 ILE 17 6.505 -6.122 8.876 155 HD13 ILE 17 2HD1 ILE 17 5.601 -4.611 8.911 156 H LYS 18 H LYS 18 3.269 -3.054 8.126 157 HA LYS 18 HA LYS 18 3.331 -4.947 10.194 158 HB2 LYS 18 2HB LYS 18 3.192 -2.535 10.612 159 HB3 LYS 18 1HB LYS 18 1.591 -2.493 9.884 160 HG2 LYS 18 2HG LYS 18 0.624 -3.657 11.664 161 HG3 LYS 18 1HG LYS 18 2.187 -4.218 12.262 162 HD2 LYS 18 2HD LYS 18 2.718 -1.739 12.639 163 HD3 LYS 18 1HD LYS 18 0.987 -1.468 12.430 164 HE2 LYS 18 2HE LYS 18 1.862 -3.582 14.329 165 HE3 LYS 18 1HE LYS 18 2.059 -1.898 14.813 166 HZ1 LYS 18 3HZ LYS 18 -0.168 -3.277 15.212 167 HZ2 LYS 18 1HZ LYS 18 -0.527 -2.618 13.695 168 HZ3 LYS 18 2HZ LYS 18 -0.153 -1.600 14.992 169 H GLU 19 H GLU 19 0.677 -3.846 8.085 170 HA GLU 19 HA GLU 19 -1.311 -5.505 9.148 171 HB2 GLU 19 2HB GLU 19 -0.960 -4.498 6.312 172 HB3 GLU 19 1HB GLU 19 -2.410 -5.297 6.904 173 HG2 GLU 19 2HG GLU 19 -1.616 -3.083 8.595 174 HG3 GLU 19 1HG GLU 19 -1.897 -2.588 6.928 175 H LEU 20 H LEU 20 1.041 -6.049 6.554 176 HA LEU 20 HA LEU 20 0.248 -8.654 5.882 177 HB2 LEU 20 2HB LEU 20 2.199 -6.889 5.072 178 HB3 LEU 20 1HB LEU 20 3.138 -8.166 5.833 179 HG LEU 20 HG LEU 20 1.553 -9.700 4.323 180 HD11 LEU 20 1HD1 LEU 20 0.258 -8.497 2.990 181 HD12 LEU 20 2HD1 LEU 20 1.720 -8.043 2.108 182 HD13 LEU 20 3HD1 LEU 20 1.097 -7.000 3.396 183 HD21 LEU 20 3HD2 LEU 20 3.368 -9.997 2.919 184 HD22 LEU 20 1HD2 LEU 20 4.122 -9.295 4.350 185 HD23 LEU 20 2HD2 LEU 20 3.802 -8.287 2.940 186 H VAL 21 H VAL 21 2.240 -7.311 8.431 187 HA VAL 21 HA VAL 21 3.315 -9.743 9.374 188 HB VAL 21 HB VAL 21 2.889 -7.215 10.980 189 HG11 VAL 21 1HG1 VAL 21 3.663 -9.776 11.813 190 HG12 VAL 21 2HG1 VAL 21 3.772 -8.268 12.720 191 HG13 VAL 21 3HG1 VAL 21 5.142 -8.817 11.755 192 HG21 VAL 21 3HG2 VAL 21 4.656 -7.782 8.807 193 HG22 VAL 21 1HG2 VAL 21 5.603 -7.625 10.287 194 HG23 VAL 21 2HG2 VAL 21 4.536 -6.317 9.782 195 H ASP 22 H ASP 22 0.349 -7.985 10.043 196 HA ASP 22 HA ASP 22 -0.404 -9.792 12.184 197 HB2 ASP 22 2HB ASP 22 -1.081 -7.168 11.491 198 HB3 ASP 22 1HB ASP 22 -2.550 -8.099 11.213 199 H ALA 23 H ALA 23 -0.853 -9.528 8.774 200 HA ALA 23 HA ALA 23 -3.076 -11.439 8.828 201 HB1 ALA 23 1HB ALA 23 -2.169 -10.443 6.222 202 HB2 ALA 23 2HB ALA 23 -2.753 -9.201 7.329 203 HB3 ALA 23 3HB ALA 23 -3.796 -10.555 6.896 204 H GLY 24 H GLY 24 -0.299 -10.992 6.635 205 HA2 GLY 24 2HA GLY 24 1.449 -12.585 6.328 206 HA3 GLY 24 1HA GLY 24 0.406 -13.816 7.038 207 H THR 25 H THR 25 1.200 -12.029 4.154 208 HA THR 25 HA THR 25 -0.015 -14.112 2.531 209 HB THR 25 HB THR 25 -1.707 -12.223 2.965 210 HG1 THR 25 1HG THR 25 -1.456 -12.388 0.236 211 HG21 THR 25 3HG2 THR 25 -0.103 -10.815 0.847 212 HG22 THR 25 1HG2 THR 25 -0.103 -10.362 2.550 213 HG23 THR 25 2HG2 THR 25 -1.596 -10.272 1.616 214 H ALA 26 H ALA 26 0.243 -13.099 0.073 215 HA ALA 26 HA ALA 26 2.933 -13.378 -0.522 216 HB1 ALA 26 1HB ALA 26 2.255 -13.296 -2.664 217 HB2 ALA 26 2HB ALA 26 1.358 -11.799 -2.430 218 HB3 ALA 26 3HB ALA 26 0.644 -13.336 -1.948 219 H GLU 27 H GLU 27 4.133 -11.987 0.814 220 HA GLU 27 HA GLU 27 3.858 -9.277 1.162 221 HB2 GLU 27 2HB GLU 27 6.355 -9.255 1.504 222 HB3 GLU 27 1HB GLU 27 5.482 -10.450 2.450 223 HG2 GLU 27 2HG GLU 27 6.785 -12.036 1.643 224 HG3 GLU 27 1HG GLU 27 6.221 -11.677 0.013 225 H LYS 28 H LYS 28 5.024 -10.992 -1.641 226 HA LYS 28 HA LYS 28 6.511 -9.181 -3.016 227 HB2 LYS 28 2HB LYS 28 4.305 -10.952 -4.070 228 HB3 LYS 28 1HB LYS 28 5.434 -10.089 -5.106 229 HG2 LYS 28 2HG LYS 28 6.819 -11.805 -4.960 230 HG3 LYS 28 1HG LYS 28 7.008 -11.469 -3.238 231 HD2 LYS 28 2HD LYS 28 4.933 -12.848 -2.858 232 HD3 LYS 28 1HD LYS 28 5.037 -13.329 -4.552 233 HE2 LYS 28 2HE LYS 28 7.217 -13.726 -2.508 234 HE3 LYS 28 1HE LYS 28 6.061 -14.966 -2.996 235 HZ1 LYS 28 3HZ LYS 28 7.036 -15.213 -5.027 236 HZ2 LYS 28 1HZ LYS 28 8.402 -14.790 -4.122 237 HZ3 LYS 28 2HZ LYS 28 7.625 -13.626 -5.079 238 H TYR 29 H TYR 29 3.011 -9.115 -2.577 239 HA TYR 29 HA TYR 29 2.440 -7.015 -4.354 240 HB2 TYR 29 2HB TYR 29 0.966 -8.601 -2.640 241 HB3 TYR 29 1HB TYR 29 0.831 -7.002 -1.905 242 HD1 TYR 29 1HD TYR 29 0.238 -5.082 -3.672 243 HD2 TYR 29 2HD TYR 29 -0.536 -9.228 -4.180 244 HE1 TYR 29 1HE TYR 29 -1.523 -4.551 -5.303 245 HE2 TYR 29 2HE TYR 29 -2.284 -8.715 -5.801 246 HH TYR 29 HH TYR 29 -2.955 -6.928 -7.302 247 H ILE 30 H ILE 30 3.548 -7.065 -1.023 248 HA ILE 30 HA ILE 30 3.303 -4.305 -0.486 249 HB ILE 30 HB ILE 30 5.302 -6.236 0.695 250 HG12 ILE 30 2HG1 ILE 30 3.384 -7.288 1.340 251 HG13 ILE 30 1HG1 ILE 30 3.378 -6.029 2.571 252 HG21 ILE 30 1HG2 ILE 30 5.478 -4.726 2.524 253 HG22 ILE 30 2HG2 ILE 30 4.161 -3.729 1.909 254 HG23 ILE 30 3HG2 ILE 30 5.700 -3.783 1.050 255 HD11 ILE 30 3HD1 ILE 30 1.210 -5.998 1.761 256 HD12 ILE 30 1HD1 ILE 30 1.724 -6.258 0.096 257 HD13 ILE 30 2HD1 ILE 30 1.980 -4.694 0.866 258 H LYS 31 H LYS 31 5.720 -6.252 -2.071 259 HA LYS 31 HA LYS 31 7.807 -4.361 -2.149 260 HB2 LYS 31 2HB LYS 31 8.161 -6.715 -2.747 261 HB3 LYS 31 1HB LYS 31 7.108 -6.526 -4.148 262 HG2 LYS 31 2HG LYS 31 9.023 -6.195 -5.255 263 HG3 LYS 31 1HG LYS 31 8.921 -4.562 -4.595 264 HD2 LYS 31 2HD LYS 31 10.321 -5.228 -2.709 265 HD3 LYS 31 1HD LYS 31 10.399 -6.869 -3.342 266 HE2 LYS 31 2HE LYS 31 11.263 -4.563 -5.034 267 HE3 LYS 31 1HE LYS 31 12.348 -5.210 -3.807 268 HZ1 LYS 31 3HZ LYS 31 12.934 -6.476 -5.590 269 HZ2 LYS 31 1HZ LYS 31 11.391 -6.445 -6.285 270 HZ3 LYS 31 2HZ LYS 31 11.702 -7.453 -4.966 271 H LEU 32 H LEU 32 4.878 -4.789 -3.964 272 HA LEU 32 HA LEU 32 5.502 -2.930 -6.053 273 HB2 LEU 32 2HB LEU 32 3.597 -4.877 -5.692 274 HB3 LEU 32 1HB LEU 32 2.658 -3.412 -5.440 275 HG LEU 32 HG LEU 32 4.012 -2.793 -7.732 276 HD11 LEU 32 1HD1 LEU 32 3.778 -4.748 -9.214 277 HD12 LEU 32 2HD1 LEU 32 3.398 -5.743 -7.808 278 HD13 LEU 32 3HD1 LEU 32 4.987 -4.990 -7.953 279 HD21 LEU 32 3HD2 LEU 32 1.809 -2.294 -7.858 280 HD22 LEU 32 1HD2 LEU 32 1.313 -3.783 -7.054 281 HD23 LEU 32 2HD2 LEU 32 1.755 -3.808 -8.761 282 H ILE 33 H ILE 33 4.014 -2.784 -2.893 283 HA ILE 33 HA ILE 33 2.843 -0.218 -3.199 284 HB ILE 33 HB ILE 33 2.229 -0.311 -0.965 285 HG12 ILE 33 2HG1 ILE 33 3.701 -2.424 0.234 286 HG13 ILE 33 1HG1 ILE 33 4.867 -1.350 -0.525 287 HG21 ILE 33 1HG2 ILE 33 2.567 -3.219 -1.616 288 HG22 ILE 33 2HG2 ILE 33 1.378 -2.181 -2.382 289 HG23 ILE 33 3HG2 ILE 33 1.303 -2.465 -0.645 290 HD11 ILE 33 3HD1 ILE 33 4.277 -0.880 1.881 291 HD12 ILE 33 1HD1 ILE 33 2.708 -0.339 1.287 292 HD13 ILE 33 2HD1 ILE 33 4.178 0.482 0.766 293 H ALA 34 H ALA 34 6.028 -1.304 -2.295 294 HA ALA 34 HA ALA 34 7.009 0.928 -0.967 295 HB1 ALA 34 1HB ALA 34 8.866 -0.335 -2.876 296 HB2 ALA 34 2HB ALA 34 8.078 -1.425 -1.734 297 HB3 ALA 34 3HB ALA 34 9.028 -0.063 -1.141 298 H ASN 35 H ASN 35 6.463 0.394 -4.380 299 HA ASN 35 HA ASN 35 7.624 3.004 -5.035 300 HB2 ASN 35 2HB ASN 35 7.312 0.480 -6.453 301 HB3 ASN 35 1HB ASN 35 6.722 1.844 -7.403 302 HD21 ASN 35 1HD2 ASN 35 9.316 -0.009 -6.909 303 HD22 ASN 35 2HD2 ASN 35 10.581 1.105 -7.302 304 H ALA 36 H ALA 36 4.720 1.782 -4.110 305 HA ALA 36 HA ALA 36 2.681 2.490 -5.659 306 HB1 ALA 36 1HB ALA 36 2.785 3.411 -2.803 307 HB2 ALA 36 2HB ALA 36 2.583 1.725 -3.274 308 HB3 ALA 36 3HB ALA 36 1.373 2.921 -3.736 309 H LYS 37 H LYS 37 4.804 4.799 -4.065 310 HA LYS 37 HA LYS 37 5.146 7.022 -4.377 311 HB2 LYS 37 2HB LYS 37 3.382 6.626 -6.806 312 HB3 LYS 37 1HB LYS 37 4.300 8.089 -6.454 313 HG2 LYS 37 2HG LYS 37 6.161 6.021 -6.317 314 HG3 LYS 37 1HG LYS 37 5.149 5.640 -7.711 315 HD2 LYS 37 2HD LYS 37 5.684 7.632 -8.795 316 HD3 LYS 37 1HD LYS 37 6.239 8.407 -7.313 317 HE2 LYS 37 2HE LYS 37 7.711 5.982 -8.087 318 HE3 LYS 37 1HE LYS 37 7.876 7.345 -9.187 319 HZ1 LYS 37 3HZ LYS 37 8.185 7.838 -6.318 320 HZ2 LYS 37 1HZ LYS 37 8.935 8.601 -7.631 321 HZ3 LYS 37 2HZ LYS 37 9.450 7.068 -7.133 322 H THR 38 H THR 38 1.777 6.564 -5.465 323 HA THR 38 HA THR 38 0.896 8.820 -3.913 324 HB THR 38 HB THR 38 -1.406 7.606 -4.696 325 HG1 THR 38 1HG THR 38 -0.668 5.932 -5.812 326 HG21 THR 38 3HG2 THR 38 0.387 9.371 -6.330 327 HG22 THR 38 1HG2 THR 38 -0.976 9.847 -5.317 328 HG23 THR 38 2HG2 THR 38 -1.255 8.939 -6.804 329 H VAL 39 H VAL 39 -0.056 8.825 -1.957 330 HA VAL 39 HA VAL 39 0.262 6.729 -0.166 331 HB VAL 39 HB VAL 39 -1.891 8.824 0.089 332 HG11 VAL 39 1HG1 VAL 39 -0.250 7.945 2.378 333 HG12 VAL 39 2HG1 VAL 39 -1.377 6.758 1.722 334 HG13 VAL 39 3HG1 VAL 39 -1.970 8.319 2.291 335 HG21 VAL 39 3HG2 VAL 39 0.902 9.243 -0.241 336 HG22 VAL 39 1HG2 VAL 39 0.484 9.611 1.432 337 HG23 VAL 39 2HG2 VAL 39 -0.355 10.428 0.115 338 H GLU 40 H GLU 40 -2.703 7.728 -1.865 339 HA GLU 40 HA GLU 40 -4.419 5.809 -0.803 340 HB2 GLU 40 2HB GLU 40 -4.505 7.783 -2.849 341 HB3 GLU 40 1HB GLU 40 -5.134 6.287 -3.526 342 HG2 GLU 40 2HG GLU 40 -6.473 6.271 -1.232 343 HG3 GLU 40 1HG GLU 40 -6.223 8.010 -1.383 344 H GLY 41 H GLY 41 -2.446 5.670 -3.758 345 HA2 GLY 41 2HA GLY 41 -3.273 3.191 -4.705 346 HA3 GLY 41 1HA GLY 41 -1.682 3.882 -4.978 347 H VAL 42 H VAL 42 -1.114 3.930 -2.064 348 HA VAL 42 HA VAL 42 0.021 1.308 -1.897 349 HB VAL 42 HB VAL 42 -0.053 3.014 0.541 350 HG11 VAL 42 1HG1 VAL 42 2.262 1.662 -0.837 351 HG12 VAL 42 2HG1 VAL 42 1.222 0.868 0.353 352 HG13 VAL 42 3HG1 VAL 42 2.192 2.263 0.820 353 HG21 VAL 42 3HG2 VAL 42 0.438 4.866 -0.647 354 HG22 VAL 42 1HG2 VAL 42 0.951 3.954 -2.063 355 HG23 VAL 42 2HG2 VAL 42 2.051 4.157 -0.700 356 H TRP 43 H TRP 43 -2.448 3.053 -0.023 357 HA TRP 43 HA TRP 43 -3.091 1.028 1.779 358 HB2 TRP 43 2HB TRP 43 -4.908 3.126 0.586 359 HB3 TRP 43 1HB TRP 43 -5.281 2.166 2.006 360 HD1 TRP 43 HD TRP 43 -4.045 5.465 1.160 361 HE1 TRP 43 1HE TRP 43 -2.774 6.525 3.133 362 HE3 TRP 43 3HE TRP 43 -3.373 1.297 3.995 363 HZ2 TRP 43 2HZ TRP 43 -1.630 5.690 5.581 364 HZ3 TRP 43 3HZ TRP 43 -2.180 1.495 6.145 365 HH2 TRP 43 HH TRP 43 -1.328 3.649 6.919 366 H THR 44 H THR 44 -3.953 1.424 -1.573 367 HA THR 44 HA THR 44 -6.096 -0.472 -1.558 368 HB THR 44 HB THR 44 -5.350 -0.364 -4.164 369 HG1 THR 44 1HG THR 44 -4.633 1.781 -4.529 370 HG21 THR 44 3HG2 THR 44 -7.547 0.282 -3.335 371 HG22 THR 44 1HG2 THR 44 -6.909 1.470 -4.471 372 HG23 THR 44 2HG2 THR 44 -6.880 1.800 -2.739 373 H LEU 45 H LEU 45 -2.757 -0.587 -2.820 374 HA LEU 45 HA LEU 45 -2.689 -3.163 -3.753 375 HB2 LEU 45 2HB LEU 45 -0.491 -1.710 -2.286 376 HB3 LEU 45 1HB LEU 45 -0.270 -3.131 -3.289 377 HD11 LEU 45 1HD2 LEU 45 0.961 -0.646 -5.565 378 HD12 LEU 45 2HD2 LEU 45 1.415 -1.792 -4.304 379 HD13 LEU 45 3HD2 LEU 45 1.010 -0.128 -3.880 380 HD21 LEU 45 3HD1 LEU 45 -1.143 -1.346 -6.465 381 HD22 LEU 45 1HD1 LEU 45 -2.218 -2.337 -5.478 382 HD23 LEU 45 2HD1 LEU 45 -0.587 -2.900 -5.844 383 H LYS 46 H LYS 46 -2.030 -2.138 -0.400 384 HA LYS 46 HA LYS 46 -1.542 -4.735 0.629 385 HB2 LYS 46 2HB LYS 46 -0.887 -2.732 1.882 386 HB3 LYS 46 1HB LYS 46 -2.576 -2.267 2.062 387 HG2 LYS 46 2HG LYS 46 -2.362 -4.883 3.067 388 HG3 LYS 46 1HG LYS 46 -0.982 -3.983 3.699 389 HD2 LYS 46 2HD LYS 46 -3.884 -3.176 3.898 390 HD3 LYS 46 1HD LYS 46 -2.884 -3.809 5.207 391 HE2 LYS 46 2HE LYS 46 -1.487 -1.869 5.169 392 HE3 LYS 46 1HE LYS 46 -2.251 -1.280 3.695 393 HZ1 LYS 46 3HZ LYS 46 -3.392 -1.399 6.421 394 HZ2 LYS 46 1HZ LYS 46 -4.371 -1.217 5.051 395 HZ3 LYS 46 2HZ LYS 46 -3.203 -0.050 5.419 396 H ASP 47 H ASP 47 -4.456 -2.690 0.828 397 HA ASP 47 HA ASP 47 -6.132 -4.595 2.006 398 HB2 ASP 47 2HB ASP 47 -6.503 -2.028 0.578 399 HB3 ASP 47 1HB ASP 47 -7.908 -3.085 0.655 400 H GLU 48 H GLU 48 -5.071 -4.219 -1.260 401 HA GLU 48 HA GLU 48 -7.165 -5.596 -2.564 402 HB2 GLU 48 2HB GLU 48 -5.325 -4.123 -3.591 403 HB3 GLU 48 1HB GLU 48 -4.310 -5.556 -3.516 404 HG2 GLU 48 2HG GLU 48 -6.947 -5.402 -4.955 405 HG3 GLU 48 1HG GLU 48 -5.370 -5.197 -5.717 406 H ILE 49 H ILE 49 -4.008 -6.661 -1.326 407 HA ILE 49 HA ILE 49 -4.261 -9.350 -2.136 408 HB ILE 49 HB ILE 49 -2.762 -8.548 0.339 409 HG12 ILE 49 2HG1 ILE 49 -1.064 -8.463 -1.962 410 HG13 ILE 49 1HG1 ILE 49 -2.416 -7.366 -2.225 411 HG21 ILE 49 1HG2 ILE 49 -2.642 -10.844 0.030 412 HG22 ILE 49 2HG2 ILE 49 -1.159 -10.262 -0.727 413 HG23 ILE 49 3HG2 ILE 49 -2.543 -10.704 -1.725 414 HD11 ILE 49 3HD1 ILE 49 -1.855 -6.556 0.184 415 HD12 ILE 49 1HD1 ILE 49 -0.896 -6.000 -1.188 416 HD13 ILE 49 2HD1 ILE 49 -0.286 -7.288 -0.148 417 H LYS 50 H LYS 50 -5.097 -7.685 0.877 418 HA LYS 50 HA LYS 50 -5.858 -9.952 2.342 419 HB2 LYS 50 2HB LYS 50 -5.786 -7.203 2.778 420 HB3 LYS 50 1HB LYS 50 -7.480 -7.628 2.973 421 HG2 LYS 50 2HG LYS 50 -6.413 -7.746 5.103 422 HG3 LYS 50 1HG LYS 50 -6.794 -9.388 4.582 423 HD2 LYS 50 2HD LYS 50 -4.659 -9.925 4.908 424 HD3 LYS 50 1HD LYS 50 -4.231 -8.843 3.582 425 HE2 LYS 50 2HE LYS 50 -4.434 -8.121 6.504 426 HE3 LYS 50 1HE LYS 50 -2.952 -8.283 5.564 427 HZ1 LYS 50 3HZ LYS 50 -4.384 -6.489 4.134 428 HZ2 LYS 50 1HZ LYS 50 -3.168 -6.099 5.244 429 HZ3 LYS 50 2HZ LYS 50 -4.790 -6.076 5.723 430 H THR 51 H THR 51 -7.492 -8.211 -0.173 431 HA THR 51 HA THR 51 -10.055 -9.455 0.417 432 HB THR 51 HB THR 51 -10.682 -8.226 -1.775 433 HG1 THR 51 1HG THR 51 -8.486 -7.861 -2.400 434 HG21 THR 51 3HG2 THR 51 -9.788 -6.542 0.550 435 HG22 THR 51 1HG2 THR 51 -11.318 -7.413 0.460 436 HG23 THR 51 2HG2 THR 51 -10.977 -6.111 -0.680 437 H PHE 52 H PHE 52 -7.310 -9.943 -1.635 438 HA PHE 52 HA PHE 52 -8.779 -11.939 -3.214 439 HB2 PHE 52 2HB PHE 52 -7.342 -10.048 -4.269 440 HB3 PHE 52 1HB PHE 52 -5.973 -11.048 -3.796 441 HD1 PHE 52 1HD PHE 52 -9.162 -11.168 -5.699 442 HD2 PHE 52 2HD PHE 52 -5.246 -12.753 -5.184 443 HE1 PHE 52 1HE PHE 52 -9.436 -12.502 -7.748 444 HE2 PHE 52 2HE PHE 52 -5.513 -14.089 -7.232 445 HZ PHE 52 HZ PHE 52 -7.610 -13.965 -8.518 446 H THR 53 H THR 53 -7.797 -12.289 -0.424 447 HA THR 53 HA THR 53 -5.985 -14.563 -0.901 448 HB THR 53 HB THR 53 -4.951 -12.719 0.397 449 HG1 THR 53 1HG THR 53 -4.222 -14.055 2.079 450 HG21 THR 53 3HG2 THR 53 -7.231 -13.236 2.262 451 HG22 THR 53 1HG2 THR 53 -6.638 -11.701 1.631 452 HG23 THR 53 2HG2 THR 53 -5.695 -12.582 2.834 453 H VAL 54 H VAL 54 -6.212 -15.604 1.735 454 HA VAL 54 HA VAL 54 -7.360 -17.274 2.756 455 HB VAL 54 HB VAL 54 -9.630 -16.628 3.592 456 HG11 VAL 54 1HG1 VAL 54 -7.939 -14.293 4.193 457 HG12 VAL 54 2HG1 VAL 54 -7.188 -15.870 4.429 458 HG13 VAL 54 3HG1 VAL 54 -8.682 -15.469 5.277 459 HG21 VAL 54 3HG2 VAL 54 -10.259 -15.198 1.669 460 HG22 VAL 54 1HG2 VAL 54 -9.068 -14.012 2.200 461 HG23 VAL 54 2HG2 VAL 54 -10.451 -14.392 3.224 462 H THR 55 H THR 55 -7.862 -19.111 1.835 463 HA THR 55 HA THR 55 -9.003 -20.721 0.705 464 HB THR 55 HB THR 55 -11.135 -18.669 0.136 465 HG1 THR 55 1HG THR 55 -10.654 -18.777 2.387 466 HG21 THR 55 3HG2 THR 55 -11.283 -21.652 0.453 467 HG22 THR 55 1HG2 THR 55 -11.450 -20.750 -1.054 468 HG23 THR 55 2HG2 THR 55 -12.654 -20.577 0.218 469 H GLU 56 H GLU 56 -9.403 -21.442 -1.447 470 HA GLU 56 HA GLU 56 -7.747 -20.296 -3.379 471 HB2 GLU 56 2HB GLU 56 -9.041 -22.672 -3.124 472 HB3 GLU 56 1HB GLU 56 -9.991 -21.920 -4.396 473 HG2 GLU 56 2HG GLU 56 -7.750 -21.463 -5.542 474 HG3 GLU 56 1HG GLU 56 -7.082 -22.622 -4.398 Start of MODEL 18 1 H1 THR 1 1HT THR 1 18.246 9.464 18.603 2 H2 THR 1 2HT THR 1 19.701 8.595 18.331 3 H3 THR 1 3HT THR 1 19.065 8.735 19.917 4 HA THR 1 HA THR 1 18.734 6.578 18.729 5 HB THR 1 HB THR 1 16.172 7.878 19.613 6 HG1 THR 1 1HG THR 1 16.952 7.665 21.765 7 HG21 THR 1 1HG2 THR 1 15.685 5.863 20.671 8 HG22 THR 1 2HG2 THR 1 17.359 5.311 20.591 9 HG23 THR 1 3HG2 THR 1 16.383 5.390 19.122 10 H THR 2 H THR 2 18.795 8.534 16.559 11 HA THR 2 HA THR 2 17.839 9.021 14.531 12 HB THR 2 HB THR 2 18.676 6.869 13.995 13 HG1 THR 2 1HG THR 2 17.311 7.513 12.403 14 HG21 THR 2 3HG2 THR 2 17.387 4.797 14.332 15 HG22 THR 2 1HG2 THR 2 16.238 5.701 15.317 16 HG23 THR 2 2HG2 THR 2 17.920 5.543 15.847 17 H TYR 3 H TYR 3 16.193 10.448 15.000 18 HA TYR 3 HA TYR 3 13.623 9.626 15.909 19 HB2 TYR 3 2HB TYR 3 14.934 12.137 15.138 20 HB3 TYR 3 1HB TYR 3 13.213 12.082 14.740 21 HD1 TYR 3 1HD TYR 3 15.442 11.158 17.612 22 HD2 TYR 3 2HD TYR 3 11.779 12.920 16.332 23 HE1 TYR 3 1HE TYR 3 14.890 11.697 19.943 24 HE2 TYR 3 2HE TYR 3 11.225 13.468 18.664 25 HH TYR 3 HH TYR 3 12.200 12.208 21.136 26 H LYS 4 H LYS 4 11.604 10.022 14.679 27 HA LYS 4 HA LYS 4 11.934 9.192 11.871 28 HB2 LYS 4 2HB LYS 4 9.826 8.030 12.045 29 HB3 LYS 4 1HB LYS 4 10.871 7.507 13.355 30 HG2 LYS 4 2HG LYS 4 9.414 8.159 14.892 31 HG3 LYS 4 1HG LYS 4 9.248 9.753 14.155 32 HD2 LYS 4 2HD LYS 4 7.345 9.200 13.094 33 HD3 LYS 4 1HD LYS 4 7.937 7.594 12.661 34 HE2 LYS 4 2HE LYS 4 7.066 8.320 15.448 35 HE3 LYS 4 1HE LYS 4 5.956 7.679 14.237 36 HZ1 LYS 4 3HZ LYS 4 7.032 5.645 14.214 37 HZ2 LYS 4 1HZ LYS 4 7.083 6.060 15.851 38 HZ3 LYS 4 2HZ LYS 4 8.458 6.255 14.883 39 H LEU 5 H LEU 5 9.417 9.583 10.928 40 HA LEU 5 HA LEU 5 8.314 12.111 11.553 41 HB2 LEU 5 2HB LEU 5 10.690 12.301 10.186 42 HB3 LEU 5 1HB LEU 5 9.501 12.381 8.889 43 HG LEU 5 HG LEU 5 8.370 14.234 10.214 44 HD11 LEU 5 1HD1 LEU 5 10.058 15.448 11.709 45 HD12 LEU 5 2HD1 LEU 5 10.903 13.902 11.793 46 HD13 LEU 5 3HD1 LEU 5 9.242 14.036 12.372 47 HD21 LEU 5 3HD2 LEU 5 10.974 14.370 8.798 48 HD22 LEU 5 1HD2 LEU 5 10.422 15.824 9.631 49 HD23 LEU 5 2HD2 LEU 5 9.414 15.085 8.384 50 H ILE 6 H ILE 6 6.253 11.799 11.039 51 HA ILE 6 HA ILE 6 5.545 9.961 8.898 52 HB ILE 6 HB ILE 6 3.695 11.421 10.784 53 HG12 ILE 6 2HG1 ILE 6 4.183 8.558 11.236 54 HG13 ILE 6 1HG1 ILE 6 5.579 9.578 11.540 55 HG21 ILE 6 1HG2 ILE 6 2.331 9.263 10.180 56 HG22 ILE 6 2HG2 ILE 6 3.358 9.275 8.746 57 HG23 ILE 6 3HG2 ILE 6 2.330 10.661 9.105 58 HD11 ILE 6 3HD1 ILE 6 4.741 10.225 13.479 59 HD12 ILE 6 1HD1 ILE 6 3.431 9.071 13.243 60 HD13 ILE 6 2HD1 ILE 6 3.242 10.743 12.714 61 H LEU 7 H LEU 7 5.198 10.679 6.908 62 HA LEU 7 HA LEU 7 4.373 13.480 6.542 63 HB2 LEU 7 2HB LEU 7 5.960 11.587 4.838 64 HB3 LEU 7 1HB LEU 7 5.173 12.985 4.128 65 HG LEU 7 HG LEU 7 6.479 14.222 6.108 66 HD11 LEU 7 1HD1 LEU 7 8.841 13.038 5.889 67 HD12 LEU 7 2HD1 LEU 7 7.825 11.609 5.741 68 HD13 LEU 7 3HD1 LEU 7 7.700 12.632 7.170 69 HD21 LEU 7 3HD2 LEU 7 6.617 14.778 3.741 70 HD22 LEU 7 1HD2 LEU 7 7.687 13.402 3.469 71 HD23 LEU 7 2HD2 LEU 7 8.223 14.750 4.471 72 H ASN 8 H ASN 8 3.963 10.308 4.950 73 HA ASN 8 HA ASN 8 1.172 10.320 4.991 74 HB2 ASN 8 2HB ASN 8 2.049 12.219 3.210 75 HB3 ASN 8 1HB ASN 8 1.805 10.820 2.168 76 HD21 ASN 8 1HD2 ASN 8 0.303 13.125 1.934 77 HD22 ASN 8 2HD2 ASN 8 -1.330 12.784 2.385 78 H LEU 9 H LEU 9 4.093 9.368 3.288 79 HA LEU 9 HA LEU 9 2.866 6.919 2.305 80 HB2 LEU 9 2HB LEU 9 5.585 8.170 2.016 81 HB3 LEU 9 1HB LEU 9 5.312 6.487 1.576 82 HG LEU 9 HG LEU 9 5.192 7.905 -0.391 83 HD11 LEU 9 1HD1 LEU 9 3.440 5.963 0.251 84 HD12 LEU 9 2HD1 LEU 9 3.459 6.791 -1.305 85 HD13 LEU 9 3HD1 LEU 9 2.330 7.299 -0.049 86 HD21 LEU 9 3HD2 LEU 9 4.510 9.972 0.781 87 HD22 LEU 9 1HD2 LEU 9 2.890 9.300 0.965 88 HD23 LEU 9 2HD2 LEU 9 3.530 9.632 -0.645 89 H LYS 10 H LYS 10 5.303 7.999 4.578 90 HA LYS 10 HA LYS 10 6.355 5.686 5.561 91 HB2 LYS 10 2HB LYS 10 6.179 8.384 6.341 92 HB3 LYS 10 1HB LYS 10 5.685 7.446 7.747 93 HG2 LYS 10 2HG LYS 10 8.038 7.838 7.880 94 HG3 LYS 10 1HG LYS 10 7.778 6.127 7.540 95 HD2 LYS 10 2HD LYS 10 9.502 6.723 6.087 96 HD3 LYS 10 1HD LYS 10 8.061 6.789 5.070 97 HE2 LYS 10 2HE LYS 10 8.134 9.053 4.876 98 HE3 LYS 10 1HE LYS 10 8.831 9.276 6.479 99 HZ1 LYS 10 3HZ LYS 10 10.528 7.956 4.528 100 HZ2 LYS 10 1HZ LYS 10 10.916 9.126 5.688 101 HZ3 LYS 10 2HZ LYS 10 10.204 9.588 4.228 102 H GLN 11 H GLN 11 3.217 7.089 6.217 103 HA GLN 11 HA GLN 11 2.465 5.280 8.282 104 HB2 GLN 11 2HB GLN 11 1.402 7.443 8.120 105 HB3 GLN 11 1HB GLN 11 0.856 7.100 6.485 106 HG2 GLN 11 2HG GLN 11 -1.070 6.679 7.597 107 HG3 GLN 11 1HG GLN 11 -0.343 5.079 7.720 108 HE21 GLN 11 1HE2 GLN 11 -1.259 4.450 9.605 109 HE22 GLN 11 2HE2 GLN 11 -0.967 5.218 11.125 110 H ALA 12 H ALA 12 2.018 5.404 4.789 111 HA ALA 12 HA ALA 12 0.310 3.114 4.667 112 HB1 ALA 12 1HB ALA 12 0.050 3.669 2.513 113 HB2 ALA 12 2HB ALA 12 1.788 3.762 2.231 114 HB3 ALA 12 3HB ALA 12 0.934 5.136 2.934 115 H LYS 13 H LYS 13 3.760 3.700 4.078 116 HA LYS 13 HA LYS 13 4.468 1.163 3.169 117 HB2 LYS 13 2HB LYS 13 6.157 2.984 4.891 118 HB3 LYS 13 1HB LYS 13 6.740 1.714 3.822 119 HG2 LYS 13 2HG LYS 13 5.259 3.276 2.129 120 HG3 LYS 13 1HG LYS 13 5.969 4.461 3.228 121 HD2 LYS 13 2HD LYS 13 8.153 3.047 2.785 122 HD3 LYS 13 1HD LYS 13 7.293 2.607 1.308 123 HE2 LYS 13 2HE LYS 13 8.162 4.489 0.462 124 HE3 LYS 13 1HE LYS 13 6.920 5.313 1.402 125 HZ1 LYS 13 3HZ LYS 13 8.416 6.033 2.917 126 HZ2 LYS 13 1HZ LYS 13 9.484 5.890 1.611 127 HZ3 LYS 13 2HZ LYS 13 9.408 4.670 2.780 128 H GLU 14 H GLU 14 4.535 2.427 6.497 129 HA GLU 14 HA GLU 14 5.339 -0.003 7.695 130 HB2 GLU 14 2HB GLU 14 3.843 2.342 8.886 131 HB3 GLU 14 1HB GLU 14 4.530 1.019 9.817 132 HG2 GLU 14 2HG GLU 14 6.639 1.913 8.262 133 HG3 GLU 14 1HG GLU 14 5.798 3.385 8.744 134 H GLU 15 H GLU 15 2.208 1.335 6.867 135 HA GLU 15 HA GLU 15 0.631 -0.512 8.322 136 HB2 GLU 15 2HB GLU 15 0.193 1.560 6.290 137 HB3 GLU 15 1HB GLU 15 -0.948 0.226 6.197 138 HG2 GLU 15 2HG GLU 15 -0.509 1.222 8.907 139 HG3 GLU 15 1HG GLU 15 -1.194 2.412 7.803 140 H ALA 16 H ALA 16 1.813 -0.455 4.984 141 HA ALA 16 HA ALA 16 0.496 -2.739 4.054 142 HB1 ALA 16 1HB ALA 16 3.211 -1.740 3.202 143 HB2 ALA 16 2HB ALA 16 1.672 -1.111 2.614 144 HB3 ALA 16 3HB ALA 16 2.130 -2.780 2.276 145 H ILE 17 H ILE 17 3.586 -2.371 5.727 146 HA ILE 17 HA ILE 17 4.215 -5.170 5.573 147 HB ILE 17 HB ILE 17 6.043 -3.590 5.647 148 HG12 ILE 17 2HG1 ILE 17 6.100 -5.901 6.965 149 HG13 ILE 17 1HG1 ILE 17 7.444 -4.773 7.122 150 HG21 ILE 17 1HG2 ILE 17 5.024 -1.777 6.836 151 HG22 ILE 17 2HG2 ILE 17 6.492 -2.252 7.688 152 HG23 ILE 17 3HG2 ILE 17 4.916 -2.736 8.310 153 HD11 ILE 17 3HD1 ILE 17 6.950 -4.277 9.274 154 HD12 ILE 17 1HD1 ILE 17 6.322 -5.921 9.203 155 HD13 ILE 17 2HD1 ILE 17 5.223 -4.549 9.068 156 H LYS 18 H LYS 18 2.973 -2.978 8.027 157 HA LYS 18 HA LYS 18 2.895 -4.754 10.188 158 HB2 LYS 18 2HB LYS 18 2.652 -2.321 10.436 159 HB3 LYS 18 1HB LYS 18 1.104 -2.388 9.605 160 HG2 LYS 18 2HG LYS 18 0.244 -3.836 11.419 161 HG3 LYS 18 1HG LYS 18 1.775 -3.616 12.270 162 HD2 LYS 18 2HD LYS 18 0.466 -1.987 13.246 163 HD3 LYS 18 1HD LYS 18 1.259 -1.077 11.957 164 HE2 LYS 18 2HE LYS 18 -0.888 -0.422 11.589 165 HE3 LYS 18 1HE LYS 18 -0.870 -1.878 10.597 166 HZ1 LYS 18 3HZ LYS 18 -2.698 -1.375 12.472 167 HZ2 LYS 18 1HZ LYS 18 -1.588 -2.278 13.376 168 HZ3 LYS 18 2HZ LYS 18 -2.271 -2.935 11.975 169 H GLU 19 H GLU 19 0.395 -3.865 7.809 170 HA GLU 19 HA GLU 19 -1.612 -5.546 8.813 171 HB2 GLU 19 2HB GLU 19 -1.118 -4.700 5.946 172 HB3 GLU 19 1HB GLU 19 -2.612 -5.406 6.551 173 HG2 GLU 19 2HG GLU 19 -1.928 -3.148 8.155 174 HG3 GLU 19 1HG GLU 19 -1.877 -2.692 6.455 175 H LEU 20 H LEU 20 0.926 -6.093 6.404 176 HA LEU 20 HA LEU 20 0.242 -8.747 5.789 177 HB2 LEU 20 2HB LEU 20 2.179 -6.943 5.005 178 HB3 LEU 20 1HB LEU 20 3.113 -8.181 5.832 179 HG LEU 20 HG LEU 20 1.647 -9.795 4.313 180 HD11 LEU 20 1HD1 LEU 20 0.320 -8.700 2.925 181 HD12 LEU 20 2HD1 LEU 20 1.772 -8.185 2.063 182 HD13 LEU 20 3HD1 LEU 20 1.066 -7.150 3.313 183 HD21 LEU 20 3HD2 LEU 20 4.199 -9.233 4.368 184 HD22 LEU 20 1HD2 LEU 20 3.833 -8.329 2.900 185 HD23 LEU 20 2HD2 LEU 20 3.504 -10.060 2.975 186 H VAL 21 H VAL 21 2.080 -7.245 8.367 187 HA VAL 21 HA VAL 21 3.201 -9.580 9.460 188 HB VAL 21 HB VAL 21 2.481 -7.049 10.959 189 HG11 VAL 21 1HG1 VAL 21 4.371 -9.278 11.700 190 HG12 VAL 21 2HG1 VAL 21 2.791 -8.984 12.428 191 HG13 VAL 21 3HG1 VAL 21 4.084 -7.800 12.620 192 HG21 VAL 21 3HG2 VAL 21 4.493 -7.583 8.999 193 HG22 VAL 21 1HG2 VAL 21 5.267 -7.327 10.562 194 HG23 VAL 21 2HG2 VAL 21 4.193 -6.098 9.899 195 H ASP 22 H ASP 22 0.085 -8.007 9.832 196 HA ASP 22 HA ASP 22 -0.810 -9.549 12.041 197 HB2 ASP 22 2HB ASP 22 -1.750 -7.341 10.788 198 HB3 ASP 22 1HB ASP 22 -2.832 -8.558 10.120 199 H ALA 23 H ALA 23 -0.546 -10.198 8.658 200 HA ALA 23 HA ALA 23 -1.889 -12.779 9.089 201 HB1 ALA 23 1HB ALA 23 -2.698 -12.602 6.697 202 HB2 ALA 23 2HB ALA 23 -2.275 -10.891 6.781 203 HB3 ALA 23 3HB ALA 23 -3.494 -11.553 7.871 204 H GLY 24 H GLY 24 -0.452 -11.477 6.133 205 HA2 GLY 24 2HA GLY 24 2.095 -12.248 6.080 206 HA3 GLY 24 1HA GLY 24 1.286 -13.812 5.988 207 H THR 25 H THR 25 -0.234 -14.133 4.201 208 HA THR 25 HA THR 25 -0.464 -14.340 1.933 209 HB THR 25 HB THR 25 -1.790 -12.254 2.788 210 HG1 THR 25 1HG THR 25 -1.490 -12.254 0.013 211 HG21 THR 25 3HG2 THR 25 -1.350 -10.202 1.643 212 HG22 THR 25 1HG2 THR 25 0.051 -10.898 0.830 213 HG23 THR 25 2HG2 THR 25 0.075 -10.648 2.576 214 H ALA 26 H ALA 26 0.119 -12.987 -0.263 215 HA ALA 26 HA ALA 26 2.880 -13.463 -0.645 216 HB1 ALA 26 1HB ALA 26 0.772 -13.369 -2.292 217 HB2 ALA 26 2HB ALA 26 2.439 -13.211 -2.851 218 HB3 ALA 26 3HB ALA 26 1.452 -11.771 -2.601 219 H GLU 27 H GLU 27 4.191 -12.183 0.588 220 HA GLU 27 HA GLU 27 3.858 -9.468 1.133 221 HB2 GLU 27 2HB GLU 27 5.478 -10.857 2.363 222 HB3 GLU 27 1HB GLU 27 6.473 -10.977 0.920 223 HG2 GLU 27 2HG GLU 27 7.246 -8.846 1.091 224 HG3 GLU 27 1HG GLU 27 5.808 -8.278 1.938 225 H LYS 28 H LYS 28 5.121 -11.057 -1.690 226 HA LYS 28 HA LYS 28 6.636 -9.152 -2.927 227 HB2 LYS 28 2HB LYS 28 4.741 -11.224 -3.931 228 HB3 LYS 28 1HB LYS 28 5.341 -10.033 -5.078 229 HG2 LYS 28 2HG LYS 28 7.069 -11.412 -5.358 230 HG3 LYS 28 1HG LYS 28 7.628 -10.834 -3.787 231 HD2 LYS 28 2HD LYS 28 5.849 -12.767 -3.060 232 HD3 LYS 28 1HD LYS 28 6.504 -13.437 -4.556 233 HE2 LYS 28 2HE LYS 28 8.543 -13.776 -3.657 234 HE3 LYS 28 1HE LYS 28 8.487 -12.296 -2.701 235 HZ1 LYS 28 3HZ LYS 28 7.065 -13.397 -1.108 236 HZ2 LYS 28 1HZ LYS 28 8.488 -14.292 -1.317 237 HZ3 LYS 28 2HZ LYS 28 7.047 -14.808 -2.040 238 H TYR 29 H TYR 29 3.119 -9.247 -2.658 239 HA TYR 29 HA TYR 29 2.508 -7.161 -4.417 240 HB2 TYR 29 2HB TYR 29 1.139 -8.684 -2.392 241 HB3 TYR 29 1HB TYR 29 0.703 -6.980 -2.252 242 HD1 TYR 29 1HD TYR 29 0.316 -5.912 -4.769 243 HD2 TYR 29 2HD TYR 29 -0.261 -9.949 -3.583 244 HE1 TYR 29 1HE TYR 29 -1.266 -6.227 -6.624 245 HE2 TYR 29 2HE TYR 29 -1.830 -10.277 -5.419 246 HH TYR 29 HH TYR 29 -2.381 -9.312 -7.584 247 H ILE 30 H ILE 30 3.596 -7.156 -1.079 248 HA ILE 30 HA ILE 30 3.216 -4.397 -0.582 249 HB ILE 30 HB ILE 30 5.269 -6.217 0.684 250 HG12 ILE 30 2HG1 ILE 30 3.385 -7.358 1.279 251 HG13 ILE 30 1HG1 ILE 30 3.298 -6.100 2.507 252 HG21 ILE 30 1HG2 ILE 30 3.957 -3.814 1.917 253 HG22 ILE 30 2HG2 ILE 30 5.443 -3.688 0.978 254 HG23 ILE 30 3HG2 ILE 30 5.405 -4.670 2.443 255 HD11 ILE 30 3HD1 ILE 30 1.146 -6.171 1.652 256 HD12 ILE 30 1HD1 ILE 30 1.708 -6.405 -0.002 257 HD13 ILE 30 2HD1 ILE 30 1.875 -4.831 0.772 258 H LYS 31 H LYS 31 5.858 -6.307 -1.884 259 HA LYS 31 HA LYS 31 7.854 -4.379 -2.008 260 HB2 LYS 31 2HB LYS 31 8.235 -6.720 -2.639 261 HB3 LYS 31 1HB LYS 31 7.202 -6.516 -4.052 262 HG2 LYS 31 2HG LYS 31 9.138 -6.164 -5.117 263 HG3 LYS 31 1HG LYS 31 8.998 -4.535 -4.452 264 HD2 LYS 31 2HD LYS 31 10.377 -5.182 -2.549 265 HD3 LYS 31 1HD LYS 31 10.483 -6.826 -3.170 266 HE2 LYS 31 2HE LYS 31 11.365 -4.499 -4.836 267 HE3 LYS 31 1HE LYS 31 12.431 -5.180 -3.610 268 HZ1 LYS 31 3HZ LYS 31 11.158 -6.956 -5.583 269 HZ2 LYS 31 1HZ LYS 31 12.613 -7.153 -4.745 270 HZ3 LYS 31 2HZ LYS 31 12.520 -6.059 -6.031 271 H LEU 32 H LEU 32 4.950 -4.802 -3.862 272 HA LEU 32 HA LEU 32 5.588 -2.906 -5.914 273 HB2 LEU 32 2HB LEU 32 3.704 -4.882 -5.621 274 HB3 LEU 32 1HB LEU 32 2.742 -3.431 -5.367 275 HG LEU 32 HG LEU 32 2.650 -4.108 -7.694 276 HD11 LEU 32 1HD1 LEU 32 4.431 -1.711 -7.714 277 HD12 LEU 32 2HD1 LEU 32 2.862 -1.638 -6.912 278 HD13 LEU 32 3HD1 LEU 32 2.956 -2.024 -8.630 279 HD21 LEU 32 3HD2 LEU 32 5.006 -3.650 -8.894 280 HD22 LEU 32 1HD2 LEU 32 4.485 -5.248 -8.357 281 HD23 LEU 32 2HD2 LEU 32 5.575 -4.292 -7.352 282 H ILE 33 H ILE 33 4.027 -2.797 -2.765 283 HA ILE 33 HA ILE 33 2.777 -0.288 -3.059 284 HB ILE 33 HB ILE 33 2.417 -0.239 -0.745 285 HG12 ILE 33 2HG1 ILE 33 3.964 -2.342 0.370 286 HG13 ILE 33 1HG1 ILE 33 5.064 -1.330 -0.556 287 HG21 ILE 33 1HG2 ILE 33 2.182 -2.905 -0.294 288 HG22 ILE 33 2HG2 ILE 33 2.249 -2.845 -2.055 289 HG23 ILE 33 3HG2 ILE 33 1.029 -1.920 -1.185 290 HD11 ILE 33 3HD1 ILE 33 4.571 0.566 0.727 291 HD12 ILE 33 1HD1 ILE 33 4.742 -0.753 1.884 292 HD13 ILE 33 2HD1 ILE 33 3.137 -0.183 1.429 293 H ALA 34 H ALA 34 6.067 -1.187 -2.351 294 HA ALA 34 HA ALA 34 7.014 1.184 -1.228 295 HB1 ALA 34 1HB ALA 34 8.355 -0.834 -1.288 296 HB2 ALA 34 2HB ALA 34 9.226 0.491 -2.058 297 HB3 ALA 34 3HB ALA 34 8.450 -0.747 -3.046 298 H ASN 35 H ASN 35 6.413 0.305 -4.572 299 HA ASN 35 HA ASN 35 7.479 2.833 -5.544 300 HB2 ASN 35 2HB ASN 35 7.251 0.265 -6.641 301 HB3 ASN 35 1HB ASN 35 6.100 1.251 -7.543 302 HD21 ASN 35 1HD2 ASN 35 9.239 2.040 -6.104 303 HD22 ASN 35 2HD2 ASN 35 9.979 2.558 -7.577 304 H ALA 36 H ALA 36 4.642 1.848 -4.199 305 HA ALA 36 HA ALA 36 2.507 2.594 -5.647 306 HB1 ALA 36 1HB ALA 36 2.499 1.856 -3.272 307 HB2 ALA 36 2HB ALA 36 1.378 3.170 -3.630 308 HB3 ALA 36 3HB ALA 36 2.903 3.510 -2.810 309 H LYS 37 H LYS 37 4.933 4.776 -4.369 310 HA LYS 37 HA LYS 37 5.391 6.959 -4.817 311 HB2 LYS 37 2HB LYS 37 4.347 6.063 -7.154 312 HB3 LYS 37 1HB LYS 37 3.199 7.343 -6.760 313 HG2 LYS 37 2HG LYS 37 5.897 8.252 -6.361 314 HG3 LYS 37 1HG LYS 37 5.691 7.612 -7.996 315 HD2 LYS 37 2HD LYS 37 4.331 9.297 -8.619 316 HD3 LYS 37 1HD LYS 37 3.501 9.333 -7.062 317 HE2 LYS 37 2HE LYS 37 4.673 11.412 -7.381 318 HE3 LYS 37 1HE LYS 37 5.456 10.498 -6.092 319 HZ1 LYS 37 3HZ LYS 37 6.459 11.236 -8.712 320 HZ2 LYS 37 1HZ LYS 37 6.847 9.671 -8.202 321 HZ3 LYS 37 2HZ LYS 37 7.290 10.999 -7.255 322 H THR 38 H THR 38 1.877 6.844 -5.405 323 HA THR 38 HA THR 38 1.465 9.114 -3.679 324 HB THR 38 HB THR 38 -0.931 8.802 -4.252 325 HG1 THR 38 1HG THR 38 -1.595 7.002 -5.076 326 HG21 THR 38 3HG2 THR 38 1.115 9.516 -6.030 327 HG22 THR 38 1HG2 THR 38 -0.592 9.948 -6.107 328 HG23 THR 38 2HG2 THR 38 -0.011 8.505 -6.936 329 H VAL 39 H VAL 39 -0.664 8.794 -2.206 330 HA VAL 39 HA VAL 39 0.153 6.829 -0.231 331 HB VAL 39 HB VAL 39 -1.466 7.911 1.259 332 HG11 VAL 39 1HG1 VAL 39 0.907 8.977 0.296 333 HG12 VAL 39 2HG1 VAL 39 0.073 9.430 1.782 334 HG13 VAL 39 3HG1 VAL 39 -0.215 10.338 0.298 335 HG21 VAL 39 3HG2 VAL 39 -2.120 9.567 -1.172 336 HG22 VAL 39 1HG2 VAL 39 -2.568 10.021 0.473 337 HG23 VAL 39 2HG2 VAL 39 -3.210 8.540 -0.239 338 H GLU 40 H GLU 40 -2.770 7.650 -2.079 339 HA GLU 40 HA GLU 40 -4.448 5.672 -1.054 340 HB2 GLU 40 2HB GLU 40 -4.442 7.491 -3.319 341 HB3 GLU 40 1HB GLU 40 -5.204 5.959 -3.718 342 HG2 GLU 40 2HG GLU 40 -6.859 6.222 -2.106 343 HG3 GLU 40 1HG GLU 40 -5.945 7.449 -1.232 344 H GLY 41 H GLY 41 -2.276 5.561 -3.864 345 HA2 GLY 41 2HA GLY 41 -2.948 3.030 -4.806 346 HA3 GLY 41 1HA GLY 41 -1.376 3.787 -5.006 347 H VAL 42 H VAL 42 -0.995 3.910 -2.050 348 HA VAL 42 HA VAL 42 0.220 1.325 -1.786 349 HB VAL 42 HB VAL 42 0.056 3.019 0.636 350 HG11 VAL 42 1HG1 VAL 42 2.389 2.462 0.836 351 HG12 VAL 42 2HG1 VAL 42 2.416 1.810 -0.803 352 HG13 VAL 42 3HG1 VAL 42 1.475 1.003 0.457 353 HG21 VAL 42 3HG2 VAL 42 0.997 4.098 -1.942 354 HG22 VAL 42 1HG2 VAL 42 2.068 4.342 -0.563 355 HG23 VAL 42 2HG2 VAL 42 0.406 4.931 -0.506 356 H TRP 43 H TRP 43 -2.294 3.071 0.045 357 HA TRP 43 HA TRP 43 -2.951 1.016 1.812 358 HB2 TRP 43 2HB TRP 43 -4.216 3.505 0.891 359 HB3 TRP 43 1HB TRP 43 -5.358 2.278 1.415 360 HD1 TRP 43 HD TRP 43 -5.496 1.721 3.972 361 HE1 TRP 43 1HE TRP 43 -4.537 2.842 6.078 362 HE3 TRP 43 3HE TRP 43 -2.060 4.832 1.772 363 HZ2 TRP 43 2HZ TRP 43 -2.597 4.777 6.726 364 HZ3 TRP 43 3HZ TRP 43 -0.704 6.281 3.215 365 HH2 TRP 43 HH TRP 43 -0.966 6.254 5.640 366 H THR 44 H THR 44 -3.803 1.496 -1.529 367 HA THR 44 HA THR 44 -5.960 -0.375 -1.584 368 HB THR 44 HB THR 44 -4.281 0.600 -3.900 369 HG1 THR 44 1HG THR 44 -6.598 1.734 -2.722 370 HG21 THR 44 3HG2 THR 44 -5.640 -1.135 -4.697 371 HG22 THR 44 1HG2 THR 44 -6.485 0.357 -5.112 372 HG23 THR 44 2HG2 THR 44 -7.021 -0.606 -3.735 373 H LEU 45 H LEU 45 -2.561 -0.522 -2.632 374 HA LEU 45 HA LEU 45 -2.546 -3.106 -3.635 375 HB2 LEU 45 2HB LEU 45 -0.370 -1.535 -2.270 376 HB3 LEU 45 1HB LEU 45 -0.095 -3.118 -2.970 377 HD11 LEU 45 1HD2 LEU 45 1.629 -1.838 -3.940 378 HD12 LEU 45 2HD2 LEU 45 1.150 -0.165 -4.223 379 HD13 LEU 45 3HD2 LEU 45 1.313 -1.276 -5.582 380 HD21 LEU 45 3HD1 LEU 45 -1.249 -3.433 -5.108 381 HD22 LEU 45 1HD1 LEU 45 -0.021 -2.728 -6.158 382 HD23 LEU 45 2HD1 LEU 45 -1.643 -2.039 -6.112 383 H LYS 46 H LYS 46 -1.778 -2.105 -0.284 384 HA LYS 46 HA LYS 46 -1.353 -4.699 0.717 385 HB2 LYS 46 2HB LYS 46 -1.744 -3.677 2.948 386 HB3 LYS 46 1HB LYS 46 -0.598 -2.783 1.961 387 HG2 LYS 46 2HG LYS 46 -2.535 -1.277 1.326 388 HG3 LYS 46 1HG LYS 46 -3.439 -2.068 2.620 389 HD2 LYS 46 2HD LYS 46 -1.208 -1.460 3.965 390 HD3 LYS 46 1HD LYS 46 -1.171 -0.167 2.763 391 HE2 LYS 46 2HE LYS 46 -2.408 0.826 4.420 392 HE3 LYS 46 1HE LYS 46 -3.687 0.111 3.438 393 HZ1 LYS 46 3HZ LYS 46 -4.179 -0.433 5.655 394 HZ2 LYS 46 1HZ LYS 46 -2.585 -0.890 5.999 395 HZ3 LYS 46 2HZ LYS 46 -3.541 -1.850 4.988 396 H ASP 47 H ASP 47 -4.264 -2.636 0.915 397 HA ASP 47 HA ASP 47 -5.890 -4.564 2.163 398 HB2 ASP 47 2HB ASP 47 -6.372 -2.006 0.706 399 HB3 ASP 47 1HB ASP 47 -7.747 -3.069 0.992 400 H GLU 48 H GLU 48 -5.063 -3.984 -1.170 401 HA GLU 48 HA GLU 48 -7.136 -5.409 -2.414 402 HB2 GLU 48 2HB GLU 48 -4.423 -4.485 -3.176 403 HB3 GLU 48 1HB GLU 48 -5.092 -5.801 -4.131 404 HG2 GLU 48 2HG GLU 48 -6.923 -3.559 -3.668 405 HG3 GLU 48 1HG GLU 48 -5.495 -3.173 -4.627 406 H ILE 49 H ILE 49 -4.125 -6.435 -0.937 407 HA ILE 49 HA ILE 49 -4.299 -9.134 -1.898 408 HB ILE 49 HB ILE 49 -2.699 -8.327 0.510 409 HG12 ILE 49 2HG1 ILE 49 -1.255 -8.203 -2.027 410 HG13 ILE 49 1HG1 ILE 49 -2.498 -6.965 -1.895 411 HG21 ILE 49 1HG2 ILE 49 -2.660 -10.648 0.094 412 HG22 ILE 49 2HG2 ILE 49 -1.131 -10.019 -0.519 413 HG23 ILE 49 3HG2 ILE 49 -2.436 -10.411 -1.639 414 HD11 ILE 49 3HD1 ILE 49 -0.773 -5.850 -0.947 415 HD12 ILE 49 1HD1 ILE 49 -0.000 -7.322 -0.358 416 HD13 ILE 49 2HD1 ILE 49 -1.394 -6.658 0.493 417 H LYS 50 H LYS 50 -5.301 -7.389 0.976 418 HA LYS 50 HA LYS 50 -5.883 -9.654 2.576 419 HB2 LYS 50 2HB LYS 50 -7.207 -6.944 2.729 420 HB3 LYS 50 1HB LYS 50 -7.094 -8.141 4.010 421 HG2 LYS 50 2HG LYS 50 -4.840 -6.550 2.815 422 HG3 LYS 50 1HG LYS 50 -5.518 -6.393 4.435 423 HD2 LYS 50 2HD LYS 50 -4.849 -9.042 4.350 424 HD3 LYS 50 1HD LYS 50 -3.568 -8.310 3.382 425 HE2 LYS 50 2HE LYS 50 -2.550 -7.776 5.287 426 HE3 LYS 50 1HE LYS 50 -3.856 -6.631 5.590 427 HZ1 LYS 50 3HZ LYS 50 -4.393 -9.400 6.296 428 HZ2 LYS 50 1HZ LYS 50 -4.798 -7.975 7.113 429 HZ3 LYS 50 2HZ LYS 50 -3.235 -8.610 7.243 430 H THR 51 H THR 51 -7.817 -7.740 0.320 431 HA THR 51 HA THR 51 -10.266 -9.086 0.855 432 HB THR 51 HB THR 51 -9.460 -7.542 -1.617 433 HG1 THR 51 1HG THR 51 -9.324 -6.430 0.479 434 HG21 THR 51 3HG2 THR 51 -11.470 -8.029 -2.391 435 HG22 THR 51 1HG2 THR 51 -12.149 -7.119 -1.041 436 HG23 THR 51 2HG2 THR 51 -11.907 -8.861 -0.898 437 H PHE 52 H PHE 52 -7.681 -9.546 -1.504 438 HA PHE 52 HA PHE 52 -8.253 -12.266 -1.841 439 HB2 PHE 52 2HB PHE 52 -10.090 -10.981 -3.212 440 HB3 PHE 52 1HB PHE 52 -8.789 -10.717 -4.364 441 HD1 PHE 52 2HD PHE 52 -10.273 -13.538 -2.403 442 HD2 PHE 52 1HD PHE 52 -8.622 -12.199 -6.096 443 HE1 PHE 52 2HE PHE 52 -10.699 -15.747 -3.393 444 HE2 PHE 52 1HE PHE 52 -9.050 -14.409 -7.088 445 HZ PHE 52 HZ PHE 52 -10.089 -16.185 -5.737 446 H THR 53 H THR 53 -6.959 -12.998 -3.982 447 HA THR 53 HA THR 53 -4.628 -11.314 -4.415 448 HB THR 53 HB THR 53 -3.109 -13.273 -3.974 449 HG1 THR 53 1HG THR 53 -3.989 -14.914 -2.633 450 HG21 THR 53 3HG2 THR 53 -4.325 -12.966 -1.353 451 HG22 THR 53 1HG2 THR 53 -4.056 -11.434 -2.183 452 HG23 THR 53 2HG2 THR 53 -2.708 -12.539 -1.916 453 H VAL 54 H VAL 54 -5.003 -14.775 -5.024 454 HA VAL 54 HA VAL 54 -5.797 -14.451 -7.751 455 HB VAL 54 HB VAL 54 -3.637 -15.628 -8.593 456 HG11 VAL 54 1HG1 VAL 54 -4.541 -13.131 -8.823 457 HG12 VAL 54 2HG1 VAL 54 -2.997 -13.642 -9.492 458 HG13 VAL 54 3HG1 VAL 54 -3.046 -12.799 -7.949 459 HG21 VAL 54 3HG2 VAL 54 -2.163 -14.065 -6.569 460 HG22 VAL 54 1HG2 VAL 54 -1.753 -15.591 -7.347 461 HG23 VAL 54 2HG2 VAL 54 -2.900 -15.564 -6.006 462 H THR 55 H THR 55 -6.301 -16.423 -8.760 463 HA THR 55 HA THR 55 -6.027 -18.815 -7.070 464 HB THR 55 HB THR 55 -8.295 -19.506 -7.907 465 HG1 THR 55 1HG THR 55 -8.545 -18.153 -9.653 466 HG21 THR 55 3HG2 THR 55 -9.598 -18.096 -6.420 467 HG22 THR 55 1HG2 THR 55 -8.273 -16.937 -6.330 468 HG23 THR 55 2HG2 THR 55 -8.070 -18.560 -5.667 469 H GLU 56 H GLU 56 -5.603 -20.727 -8.108 470 HA GLU 56 HA GLU 56 -5.344 -20.625 -11.041 471 HB2 GLU 56 2HB GLU 56 -3.315 -22.052 -10.810 472 HB3 GLU 56 1HB GLU 56 -3.122 -20.432 -10.148 473 HG2 GLU 56 2HG GLU 56 -3.685 -21.444 -7.894 474 HG3 GLU 56 1HG GLU 56 -3.479 -23.018 -8.666 Start of MODEL 19 1 H1 THR 1 1HT THR 1 11.615 19.520 13.065 2 H2 THR 1 2HT THR 1 12.188 21.138 13.027 3 H3 THR 1 3HT THR 1 13.170 19.865 12.425 4 HA THR 1 HA THR 1 10.555 20.622 11.324 5 HB THR 1 HB THR 1 12.008 22.483 11.006 6 HG1 THR 1 1HG THR 1 11.184 22.271 9.062 7 HG21 THR 1 1HG2 THR 1 14.100 20.451 10.746 8 HG22 THR 1 2HG2 THR 1 14.185 22.109 11.346 9 HG23 THR 1 3HG2 THR 1 14.214 21.795 9.610 10 H THR 2 H THR 2 9.770 18.805 10.457 11 HA THR 2 HA THR 2 11.646 16.982 9.100 12 HB THR 2 HB THR 2 8.901 16.173 10.014 13 HG1 THR 2 1HG THR 2 11.267 16.090 11.580 14 HG21 THR 2 3HG2 THR 2 10.562 14.761 8.549 15 HG22 THR 2 1HG2 THR 2 9.600 14.017 9.826 16 HG23 THR 2 2HG2 THR 2 11.290 14.420 10.114 17 H TYR 3 H TYR 3 11.606 17.528 7.000 18 HA TYR 3 HA TYR 3 9.148 17.181 5.538 19 HB2 TYR 3 2HB TYR 3 9.348 19.658 6.328 20 HB3 TYR 3 1HB TYR 3 10.565 19.782 5.062 21 HD1 TYR 3 1HD TYR 3 6.998 19.055 5.727 22 HD2 TYR 3 2HD TYR 3 9.938 19.932 2.779 23 HE1 TYR 3 1HE TYR 3 5.219 19.418 4.075 24 HE2 TYR 3 2HE TYR 3 8.159 20.296 1.111 25 HH TYR 3 HH TYR 3 5.817 20.834 1.013 26 H LYS 4 H LYS 4 10.156 15.506 4.465 27 HA LYS 4 HA LYS 4 12.377 16.287 2.690 28 HB2 LYS 4 2HB LYS 4 13.123 13.926 2.776 29 HB3 LYS 4 1HB LYS 4 13.197 14.723 4.340 30 HG2 LYS 4 2HG LYS 4 10.904 13.675 4.775 31 HG3 LYS 4 1HG LYS 4 11.263 12.646 3.386 32 HD2 LYS 4 2HD LYS 4 12.218 11.307 4.926 33 HD3 LYS 4 1HD LYS 4 13.571 12.433 4.808 34 HE2 LYS 4 2HE LYS 4 11.337 12.493 6.831 35 HE3 LYS 4 1HE LYS 4 13.021 12.058 7.131 36 HZ1 LYS 4 3HZ LYS 4 11.891 14.717 6.514 37 HZ2 LYS 4 1HZ LYS 4 13.536 14.389 6.289 38 HZ3 LYS 4 2HZ LYS 4 12.854 14.256 7.831 39 H LEU 5 H LEU 5 9.621 16.577 2.069 40 HA LEU 5 HA LEU 5 8.259 16.265 0.284 41 HB2 LEU 5 2HB LEU 5 10.796 15.591 -0.628 42 HB3 LEU 5 1HB LEU 5 9.792 14.247 -1.129 43 HG LEU 5 HG LEU 5 8.224 16.249 -1.964 44 HD11 LEU 5 1HD1 LEU 5 9.395 18.126 -2.724 45 HD12 LEU 5 2HD1 LEU 5 10.968 17.370 -2.458 46 HD13 LEU 5 3HD1 LEU 5 9.982 17.875 -1.081 47 HD21 LEU 5 3HD2 LEU 5 9.649 14.291 -3.140 48 HD22 LEU 5 1HD2 LEU 5 10.480 15.705 -3.788 49 HD23 LEU 5 2HD2 LEU 5 8.743 15.512 -4.034 50 H ILE 6 H ILE 6 9.840 13.085 0.627 51 HA ILE 6 HA ILE 6 7.528 11.572 0.223 52 HB ILE 6 HB ILE 6 9.882 10.724 1.907 53 HG12 ILE 6 2HG1 ILE 6 9.930 9.867 -0.872 54 HG13 ILE 6 1HG1 ILE 6 9.969 11.621 -0.735 55 HG21 ILE 6 1HG2 ILE 6 9.243 8.533 1.508 56 HG22 ILE 6 2HG2 ILE 6 8.262 8.967 0.108 57 HG23 ILE 6 3HG2 ILE 6 7.698 9.351 1.734 58 HD11 ILE 6 3HD1 ILE 6 11.833 9.806 0.759 59 HD12 ILE 6 1HD1 ILE 6 11.945 11.557 0.574 60 HD13 ILE 6 2HD1 ILE 6 12.198 10.503 -0.817 61 H LEU 7 H LEU 7 5.842 12.462 1.460 62 HA LEU 7 HA LEU 7 5.928 11.697 4.297 63 HB2 LEU 7 2HB LEU 7 5.976 14.297 3.487 64 HB3 LEU 7 1HB LEU 7 4.250 14.025 3.645 65 HG LEU 7 HG LEU 7 4.770 13.143 5.991 66 HD11 LEU 7 1HD1 LEU 7 7.171 14.834 6.040 67 HD12 LEU 7 2HD1 LEU 7 7.345 13.290 5.203 68 HD13 LEU 7 3HD1 LEU 7 6.819 13.328 6.887 69 HD21 LEU 7 3HD2 LEU 7 3.662 15.136 6.056 70 HD22 LEU 7 1HD2 LEU 7 4.850 15.958 5.044 71 HD23 LEU 7 2HD2 LEU 7 5.206 15.641 6.741 72 H ASN 8 H ASN 8 4.016 10.962 5.184 73 HA ASN 8 HA ASN 8 1.758 10.247 5.246 74 HB2 ASN 8 2HB ASN 8 1.604 12.084 3.237 75 HB3 ASN 8 1HB ASN 8 1.212 10.601 2.371 76 HD21 ASN 8 1HD2 ASN 8 -0.586 9.365 3.068 77 HD22 ASN 8 2HD2 ASN 8 -1.873 10.101 3.954 78 H LEU 9 H LEU 9 4.182 9.234 3.048 79 HA LEU 9 HA LEU 9 2.801 6.784 2.317 80 HB2 LEU 9 2HB LEU 9 5.491 7.943 1.630 81 HB3 LEU 9 1HB LEU 9 5.084 6.273 1.250 82 HG LEU 9 HG LEU 9 4.773 7.776 -0.674 83 HD11 LEU 9 1HD1 LEU 9 3.428 5.756 -0.508 84 HD12 LEU 9 2HD1 LEU 9 2.505 7.059 -1.256 85 HD13 LEU 9 3HD1 LEU 9 2.212 6.628 0.428 86 HD21 LEU 9 3HD2 LEU 9 3.004 9.432 -0.678 87 HD22 LEU 9 1HD2 LEU 9 4.173 9.796 0.591 88 HD23 LEU 9 2HD2 LEU 9 2.623 9.062 1.002 89 H LYS 10 H LYS 10 5.438 7.930 4.296 90 HA LYS 10 HA LYS 10 6.651 5.666 5.200 91 HB2 LYS 10 2HB LYS 10 6.400 8.366 6.016 92 HB3 LYS 10 1HB LYS 10 6.132 7.376 7.449 93 HG2 LYS 10 2HG LYS 10 8.313 6.165 6.404 94 HG3 LYS 10 1HG LYS 10 8.576 7.832 5.891 95 HD2 LYS 10 2HD LYS 10 7.764 8.072 8.529 96 HD3 LYS 10 1HD LYS 10 8.791 6.637 8.535 97 HE2 LYS 10 2HE LYS 10 9.641 9.200 7.220 98 HE3 LYS 10 1HE LYS 10 9.905 8.902 8.937 99 HZ1 LYS 10 3HZ LYS 10 11.845 8.290 7.669 100 HZ2 LYS 10 1HZ LYS 10 10.938 7.250 6.697 101 HZ3 LYS 10 2HZ LYS 10 11.151 6.900 8.337 102 H GLN 11 H GLN 11 3.527 6.958 6.080 103 HA GLN 11 HA GLN 11 2.993 5.090 8.178 104 HB2 GLN 11 2HB GLN 11 1.863 7.178 8.289 105 HB3 GLN 11 1HB GLN 11 1.305 7.048 6.627 106 HG2 GLN 11 2HG GLN 11 -0.218 5.277 7.236 107 HG3 GLN 11 1HG GLN 11 0.402 5.272 8.887 108 HE21 GLN 11 1HE2 GLN 11 -1.593 5.726 9.781 109 HE22 GLN 11 2HE2 GLN 11 -2.344 7.276 9.644 110 H ALA 12 H ALA 12 2.135 5.386 4.761 111 HA ALA 12 HA ALA 12 0.415 3.153 4.631 112 HB1 ALA 12 1HB ALA 12 1.953 3.770 2.203 113 HB2 ALA 12 2HB ALA 12 1.086 5.135 2.907 114 HB3 ALA 12 3HB ALA 12 0.209 3.675 2.452 115 H LYS 13 H LYS 13 3.879 3.531 3.946 116 HA LYS 13 HA LYS 13 4.336 0.865 3.148 117 HB2 LYS 13 2HB LYS 13 6.715 1.350 3.574 118 HB3 LYS 13 1HB LYS 13 5.936 2.634 2.658 119 HG2 LYS 13 2HG LYS 13 5.773 3.997 4.652 120 HG3 LYS 13 1HG LYS 13 6.467 2.696 5.621 121 HD2 LYS 13 2HD LYS 13 8.232 4.214 5.178 122 HD3 LYS 13 1HD LYS 13 8.495 2.824 4.123 123 HE2 LYS 13 2HE LYS 13 7.075 4.262 2.436 124 HE3 LYS 13 1HE LYS 13 7.636 5.595 3.445 125 HZ1 LYS 13 3HZ LYS 13 9.324 3.641 1.980 126 HZ2 LYS 13 1HZ LYS 13 9.926 4.788 3.069 127 HZ3 LYS 13 2HZ LYS 13 9.158 5.292 1.649 128 H GLU 14 H GLU 14 4.482 2.468 6.287 129 HA GLU 14 HA GLU 14 5.457 0.187 7.702 130 HB2 GLU 14 2HB GLU 14 5.684 2.507 8.584 131 HB3 GLU 14 1HB GLU 14 3.939 2.558 8.827 132 HG2 GLU 14 2HG GLU 14 4.073 0.770 10.438 133 HG3 GLU 14 1HG GLU 14 5.802 0.596 10.142 134 H GLU 15 H GLU 15 2.289 1.414 6.872 135 HA GLU 15 HA GLU 15 0.866 -0.431 8.550 136 HB2 GLU 15 2HB GLU 15 0.047 1.853 7.683 137 HB3 GLU 15 1HB GLU 15 -0.296 1.012 6.178 138 HG2 GLU 15 2HG GLU 15 -1.967 -0.280 7.129 139 HG3 GLU 15 1HG GLU 15 -1.373 -0.017 8.768 140 H ALA 16 H ALA 16 1.918 -0.306 5.205 141 HA ALA 16 HA ALA 16 0.421 -2.445 4.187 142 HB1 ALA 16 1HB ALA 16 2.228 -2.602 2.470 143 HB2 ALA 16 2HB ALA 16 3.135 -1.403 3.390 144 HB3 ALA 16 3HB ALA 16 1.575 -0.977 2.685 145 H ILE 17 H ILE 17 3.689 -2.396 5.593 146 HA ILE 17 HA ILE 17 4.102 -5.192 5.405 147 HB ILE 17 HB ILE 17 6.030 -3.776 5.637 148 HG12 ILE 17 2HG1 ILE 17 7.237 -4.965 7.355 149 HG13 ILE 17 1HG1 ILE 17 5.759 -5.257 8.268 150 HG21 ILE 17 1HG2 ILE 17 5.444 -3.049 8.457 151 HG22 ILE 17 2HG2 ILE 17 4.597 -2.166 7.189 152 HG23 ILE 17 3HG2 ILE 17 6.359 -2.177 7.227 153 HD11 ILE 17 3HD1 ILE 17 6.929 -7.049 6.621 154 HD12 ILE 17 1HD1 ILE 17 5.736 -6.320 5.546 155 HD13 ILE 17 2HD1 ILE 17 5.221 -7.054 7.064 156 H LYS 18 H LYS 18 3.085 -3.101 8.051 157 HA LYS 18 HA LYS 18 2.844 -4.935 10.104 158 HB2 LYS 18 2HB LYS 18 2.644 -2.508 10.420 159 HB3 LYS 18 1HB LYS 18 1.109 -2.517 9.560 160 HG2 LYS 18 2HG LYS 18 0.211 -4.029 11.323 161 HG3 LYS 18 1HG LYS 18 1.718 -3.797 12.213 162 HD2 LYS 18 2HD LYS 18 0.386 -1.329 11.320 163 HD3 LYS 18 1HD LYS 18 -0.493 -2.265 12.530 164 HE2 LYS 18 2HE LYS 18 2.407 -1.808 12.967 165 HE3 LYS 18 1HE LYS 18 1.319 -0.439 13.191 166 HZ1 LYS 18 3HZ LYS 18 0.371 -1.369 15.005 167 HZ2 LYS 18 1HZ LYS 18 1.876 -2.134 15.124 168 HZ3 LYS 18 2HZ LYS 18 0.560 -2.955 14.452 169 H GLU 19 H GLU 19 0.387 -3.935 7.721 170 HA GLU 19 HA GLU 19 -1.666 -5.597 8.654 171 HB2 GLU 19 2HB GLU 19 -1.106 -4.698 5.814 172 HB3 GLU 19 1HB GLU 19 -2.622 -5.389 6.376 173 HG2 GLU 19 2HG GLU 19 -1.892 -3.167 8.031 174 HG3 GLU 19 1HG GLU 19 -1.866 -2.693 6.334 175 H LEU 20 H LEU 20 0.921 -6.142 6.300 176 HA LEU 20 HA LEU 20 0.195 -8.777 5.610 177 HB2 LEU 20 2HB LEU 20 2.149 -7.001 4.863 178 HB3 LEU 20 1HB LEU 20 3.075 -8.218 5.733 179 HG LEU 20 HG LEU 20 1.625 -9.849 4.189 180 HD11 LEU 20 1HD1 LEU 20 1.025 -7.263 3.199 181 HD12 LEU 20 2HD1 LEU 20 0.495 -8.832 2.596 182 HD13 LEU 20 3HD1 LEU 20 1.987 -8.115 1.981 183 HD21 LEU 20 3HD2 LEU 20 4.170 -9.414 4.378 184 HD22 LEU 20 1HD2 LEU 20 3.944 -8.433 2.930 185 HD23 LEU 20 2HD2 LEU 20 3.533 -10.140 2.906 186 H VAL 21 H VAL 21 2.097 -7.344 8.182 187 HA VAL 21 HA VAL 21 3.143 -9.699 9.289 188 HB VAL 21 HB VAL 21 2.484 -7.166 10.803 189 HG11 VAL 21 1HG1 VAL 21 4.489 -8.019 12.167 190 HG12 VAL 21 2HG1 VAL 21 4.154 -9.577 11.413 191 HG13 VAL 21 3HG1 VAL 21 2.923 -8.795 12.404 192 HG21 VAL 21 3HG2 VAL 21 5.219 -7.260 10.305 193 HG22 VAL 21 1HG2 VAL 21 4.047 -6.195 9.531 194 HG23 VAL 21 2HG2 VAL 21 4.479 -7.726 8.775 195 H ASP 22 H ASP 22 0.072 -8.035 9.687 196 HA ASP 22 HA ASP 22 -0.811 -9.574 11.916 197 HB2 ASP 22 2HB ASP 22 -2.171 -7.766 9.940 198 HB3 ASP 22 1HB ASP 22 -3.114 -8.705 11.093 199 H ALA 23 H ALA 23 -0.622 -10.193 8.541 200 HA ALA 23 HA ALA 23 -2.169 -12.661 8.935 201 HB1 ALA 23 1HB ALA 23 -2.583 -12.251 6.315 202 HB2 ALA 23 2HB ALA 23 -2.511 -10.581 6.876 203 HB3 ALA 23 3HB ALA 23 -3.686 -11.697 7.574 204 H GLY 24 H GLY 24 -0.509 -11.515 6.026 205 HA2 GLY 24 2HA GLY 24 1.971 -12.503 6.118 206 HA3 GLY 24 1HA GLY 24 1.028 -13.981 5.966 207 H THR 25 H THR 25 -0.362 -14.194 4.079 208 HA THR 25 HA THR 25 -0.414 -14.395 1.795 209 HB THR 25 HB THR 25 -1.860 -12.417 2.432 210 HG1 THR 25 1HG THR 25 -2.315 -12.940 0.441 211 HG21 THR 25 3HG2 THR 25 -0.081 -10.804 2.915 212 HG22 THR 25 1HG2 THR 25 -1.202 -10.228 1.685 213 HG23 THR 25 2HG2 THR 25 0.388 -10.825 1.215 214 H ALA 26 H ALA 26 0.342 -12.668 -0.251 215 HA ALA 26 HA ALA 26 3.132 -13.315 -0.461 216 HB1 ALA 26 1HB ALA 26 1.175 -13.252 -2.263 217 HB2 ALA 26 2HB ALA 26 2.869 -13.031 -2.697 218 HB3 ALA 26 3HB ALA 26 1.821 -11.625 -2.507 219 H GLU 27 H GLU 27 4.594 -12.069 0.520 220 HA GLU 27 HA GLU 27 4.208 -9.368 1.224 221 HB2 GLU 27 2HB GLU 27 6.593 -9.349 1.765 222 HB3 GLU 27 1HB GLU 27 5.840 -10.822 2.353 223 HG2 GLU 27 2HG GLU 27 7.591 -11.827 1.404 224 HG3 GLU 27 1HG GLU 27 6.686 -11.617 -0.093 225 H LYS 28 H LYS 28 5.390 -10.904 -1.666 226 HA LYS 28 HA LYS 28 6.851 -8.944 -2.903 227 HB2 LYS 28 2HB LYS 28 5.007 -11.069 -3.873 228 HB3 LYS 28 1HB LYS 28 5.475 -9.826 -5.025 229 HG2 LYS 28 2HG LYS 28 7.233 -11.133 -5.438 230 HG3 LYS 28 1HG LYS 28 7.876 -10.500 -3.920 231 HD2 LYS 28 2HD LYS 28 6.084 -12.652 -3.353 232 HD3 LYS 28 1HD LYS 28 7.245 -13.178 -4.578 233 HE2 LYS 28 2HE LYS 28 8.942 -11.972 -2.930 234 HE3 LYS 28 1HE LYS 28 7.689 -12.367 -1.756 235 HZ1 LYS 28 3HZ LYS 28 8.487 -14.503 -3.558 236 HZ2 LYS 28 1HZ LYS 28 8.100 -14.560 -1.911 237 HZ3 LYS 28 2HZ LYS 28 9.632 -14.036 -2.404 238 H TYR 29 H TYR 29 3.434 -9.001 -2.229 239 HA TYR 29 HA TYR 29 2.629 -6.973 -4.011 240 HB2 TYR 29 2HB TYR 29 1.411 -8.564 -2.037 241 HB3 TYR 29 1HB TYR 29 1.124 -6.893 -1.547 242 HD1 TYR 29 1HD TYR 29 -0.007 -5.350 -3.219 243 HD2 TYR 29 2HD TYR 29 0.267 -9.554 -3.757 244 HE1 TYR 29 1HE TYR 29 -1.833 -5.255 -4.860 245 HE2 TYR 29 2HE TYR 29 -1.543 -9.476 -5.387 246 HH TYR 29 HH TYR 29 -3.387 -8.087 -6.047 247 H ILE 30 H ILE 30 4.048 -6.928 -0.794 248 HA ILE 30 HA ILE 30 3.724 -4.169 -0.269 249 HB ILE 30 HB ILE 30 5.462 -6.328 0.820 250 HG12 ILE 30 2HG1 ILE 30 4.424 -5.778 2.866 251 HG13 ILE 30 1HG1 ILE 30 3.966 -4.176 2.297 252 HG21 ILE 30 1HG2 ILE 30 7.146 -4.665 0.556 253 HG22 ILE 30 2HG2 ILE 30 6.662 -4.657 2.252 254 HG23 ILE 30 3HG2 ILE 30 6.075 -3.401 1.162 255 HD11 ILE 30 3HD1 ILE 30 2.858 -6.659 1.050 256 HD12 ILE 30 1HD1 ILE 30 2.227 -5.013 0.993 257 HD13 ILE 30 2HD1 ILE 30 2.144 -5.936 2.494 258 H LYS 31 H LYS 31 6.182 -6.082 -1.894 259 HA LYS 31 HA LYS 31 8.100 -4.120 -2.352 260 HB2 LYS 31 2HB LYS 31 8.444 -6.494 -2.895 261 HB3 LYS 31 1HB LYS 31 7.267 -6.367 -4.200 262 HG2 LYS 31 2HG LYS 31 8.893 -5.800 -5.584 263 HG3 LYS 31 1HG LYS 31 9.175 -4.340 -4.634 264 HD2 LYS 31 2HD LYS 31 10.349 -6.589 -3.298 265 HD3 LYS 31 1HD LYS 31 10.894 -6.553 -4.976 266 HE2 LYS 31 2HE LYS 31 12.407 -5.279 -3.574 267 HE3 LYS 31 1HE LYS 31 11.565 -4.208 -4.694 268 HZ1 LYS 31 3HZ LYS 31 10.455 -3.191 -3.031 269 HZ2 LYS 31 1HZ LYS 31 11.780 -3.703 -2.111 270 HZ3 LYS 31 2HZ LYS 31 10.338 -4.584 -2.081 271 H LEU 32 H LEU 32 5.004 -4.692 -3.832 272 HA LEU 32 HA LEU 32 5.389 -2.863 -6.018 273 HB2 LEU 32 2HB LEU 32 3.625 -4.918 -5.478 274 HB3 LEU 32 1HB LEU 32 2.620 -3.489 -5.275 275 HG LEU 32 HG LEU 32 4.216 -4.167 -7.753 276 HD11 LEU 32 1HD1 LEU 32 1.986 -5.431 -6.979 277 HD12 LEU 32 2HD1 LEU 32 2.366 -5.089 -8.666 278 HD13 LEU 32 3HD1 LEU 32 1.266 -4.033 -7.779 279 HD21 LEU 32 3HD2 LEU 32 3.978 -1.757 -7.384 280 HD22 LEU 32 1HD2 LEU 32 2.232 -1.954 -7.237 281 HD23 LEU 32 2HD2 LEU 32 3.032 -2.300 -8.769 282 H ILE 33 H ILE 33 4.057 -2.729 -2.774 283 HA ILE 33 HA ILE 33 2.775 -0.200 -3.144 284 HB ILE 33 HB ILE 33 2.152 -0.258 -0.902 285 HG12 ILE 33 2HG1 ILE 33 3.509 -2.326 0.396 286 HG13 ILE 33 1HG1 ILE 33 4.761 -1.464 -0.488 287 HG21 ILE 33 1HG2 ILE 33 0.936 -2.144 -0.878 288 HG22 ILE 33 2HG2 ILE 33 2.343 -3.184 -1.093 289 HG23 ILE 33 3HG2 ILE 33 1.633 -2.367 -2.484 290 HD11 ILE 33 3HD1 ILE 33 4.204 0.588 0.600 291 HD12 ILE 33 1HD1 ILE 33 4.419 -0.662 1.825 292 HD13 ILE 33 2HD1 ILE 33 2.796 -0.149 1.364 293 H ALA 34 H ALA 34 5.957 -1.223 -2.162 294 HA ALA 34 HA ALA 34 6.868 1.049 -0.844 295 HB1 ALA 34 1HB ALA 34 8.457 -0.558 -0.722 296 HB2 ALA 34 2HB ALA 34 9.105 0.294 -2.123 297 HB3 ALA 34 3HB ALA 34 8.130 -1.157 -2.348 298 H ASN 35 H ASN 35 6.290 0.495 -4.232 299 HA ASN 35 HA ASN 35 7.441 3.115 -4.898 300 HB2 ASN 35 2HB ASN 35 7.338 0.561 -6.271 301 HB3 ASN 35 1HB ASN 35 6.689 1.856 -7.279 302 HD21 ASN 35 1HD2 ASN 35 9.224 2.031 -4.834 303 HD22 ASN 35 2HD2 ASN 35 10.480 2.508 -5.909 304 H ALA 36 H ALA 36 4.540 1.781 -4.092 305 HA ALA 36 HA ALA 36 2.576 2.409 -5.786 306 HB1 ALA 36 1HB ALA 36 2.078 1.558 -3.616 307 HB2 ALA 36 2HB ALA 36 1.185 3.062 -3.836 308 HB3 ALA 36 3HB ALA 36 2.646 3.041 -2.849 309 H LYS 37 H LYS 37 4.541 4.768 -4.088 310 HA LYS 37 HA LYS 37 4.826 7.005 -4.382 311 HB2 LYS 37 2HB LYS 37 3.656 6.128 -6.933 312 HB3 LYS 37 1HB LYS 37 3.394 7.834 -6.567 313 HG2 LYS 37 2HG LYS 37 6.032 7.550 -5.978 314 HG3 LYS 37 1HG LYS 37 5.840 6.413 -7.314 315 HD2 LYS 37 2HD LYS 37 6.105 8.202 -8.634 316 HD3 LYS 37 1HD LYS 37 4.442 8.596 -8.197 317 HE2 LYS 37 2HE LYS 37 6.951 9.606 -6.865 318 HE3 LYS 37 1HE LYS 37 5.851 10.535 -7.883 319 HZ1 LYS 37 3HZ LYS 37 4.161 10.383 -6.252 320 HZ2 LYS 37 1HZ LYS 37 5.568 10.855 -5.439 321 HZ3 LYS 37 2HZ LYS 37 5.030 9.255 -5.340 322 H THR 38 H THR 38 1.522 6.545 -5.646 323 HA THR 38 HA THR 38 0.519 8.742 -4.116 324 HB THR 38 HB THR 38 -1.712 7.373 -4.931 325 HG1 THR 38 1HG THR 38 -1.193 6.585 -7.011 326 HG21 THR 38 3HG2 THR 38 -0.631 9.754 -5.541 327 HG22 THR 38 1HG2 THR 38 -2.032 9.068 -6.363 328 HG23 THR 38 2HG2 THR 38 -0.427 8.911 -7.078 329 H VAL 39 H VAL 39 -0.589 8.749 -2.221 330 HA VAL 39 HA VAL 39 -0.181 6.768 -0.329 331 HB VAL 39 HB VAL 39 -2.020 7.844 0.975 332 HG11 VAL 39 1HG1 VAL 39 -0.907 10.139 0.997 333 HG12 VAL 39 2HG1 VAL 39 0.145 9.513 -0.273 334 HG13 VAL 39 3HG1 VAL 39 0.123 8.740 1.313 335 HG21 VAL 39 3HG2 VAL 39 -2.723 10.107 -0.205 336 HG22 VAL 39 1HG2 VAL 39 -3.637 8.617 -0.441 337 HG23 VAL 39 2HG2 VAL 39 -2.475 9.144 -1.660 338 H GLU 40 H GLU 40 -3.075 7.339 -2.318 339 HA GLU 40 HA GLU 40 -4.657 5.299 -1.226 340 HB2 GLU 40 2HB GLU 40 -5.096 7.249 -3.034 341 HB3 GLU 40 1HB GLU 40 -4.967 5.867 -4.114 342 HG2 GLU 40 2HG GLU 40 -6.644 4.794 -2.393 343 HG3 GLU 40 1HG GLU 40 -7.015 6.485 -2.056 344 H GLY 41 H GLY 41 -2.456 5.270 -4.013 345 HA2 GLY 41 2HA GLY 41 -2.956 2.677 -4.907 346 HA3 GLY 41 1HA GLY 41 -1.438 3.534 -5.117 347 H VAL 42 H VAL 42 -1.185 3.743 -2.117 348 HA VAL 42 HA VAL 42 0.184 1.218 -1.786 349 HB VAL 42 HB VAL 42 0.038 3.029 0.548 350 HG11 VAL 42 1HG1 VAL 42 2.410 2.580 0.672 351 HG12 VAL 42 2HG1 VAL 42 2.386 1.829 -0.922 352 HG13 VAL 42 3HG1 VAL 42 1.534 1.068 0.428 353 HG21 VAL 42 3HG2 VAL 42 0.215 4.879 -0.761 354 HG22 VAL 42 1HG2 VAL 42 0.928 3.996 -2.109 355 HG23 VAL 42 2HG2 VAL 42 1.918 4.419 -0.714 356 H TRP 43 H TRP 43 -2.324 3.008 0.007 357 HA TRP 43 HA TRP 43 -2.896 1.010 1.880 358 HB2 TRP 43 2HB TRP 43 -4.170 3.485 0.953 359 HB3 TRP 43 1HB TRP 43 -5.314 2.280 1.523 360 HD1 TRP 43 HD TRP 43 -5.405 1.768 4.088 361 HE1 TRP 43 1HE TRP 43 -4.378 2.903 6.155 362 HE3 TRP 43 3HE TRP 43 -1.969 4.789 1.763 363 HZ2 TRP 43 2HZ TRP 43 -2.391 4.812 6.730 364 HZ3 TRP 43 3HZ TRP 43 -0.556 6.234 3.155 365 HH2 TRP 43 HH TRP 43 -0.759 6.245 5.586 366 H THR 44 H THR 44 -3.957 1.440 -1.428 367 HA THR 44 HA THR 44 -6.052 -0.507 -1.272 368 HB THR 44 HB THR 44 -6.062 1.354 -2.913 369 HG1 THR 44 1HG THR 44 -6.779 0.063 -4.645 370 HG21 THR 44 3HG2 THR 44 -4.643 1.571 -4.669 371 HG22 THR 44 1HG2 THR 44 -4.234 -0.146 -4.698 372 HG23 THR 44 2HG2 THR 44 -3.533 0.908 -3.471 373 H LEU 45 H LEU 45 -2.687 -0.532 -2.398 374 HA LEU 45 HA LEU 45 -2.677 -3.075 -3.556 375 HB2 LEU 45 2HB LEU 45 -0.470 -1.558 -2.166 376 HB3 LEU 45 1HB LEU 45 -0.217 -3.102 -2.954 377 HD11 LEU 45 1HD2 LEU 45 1.530 -1.369 -4.239 378 HD12 LEU 45 2HD2 LEU 45 0.701 -0.050 -3.412 379 HD13 LEU 45 3HD2 LEU 45 0.751 -0.094 -5.174 380 HD21 LEU 45 3HD1 LEU 45 -1.612 -2.847 -5.610 381 HD22 LEU 45 1HD1 LEU 45 0.029 -3.334 -5.185 382 HD23 LEU 45 2HD1 LEU 45 -0.230 -2.023 -6.334 383 H LYS 46 H LYS 46 -1.856 -2.187 -0.188 384 HA LYS 46 HA LYS 46 -1.431 -4.822 0.711 385 HB2 LYS 46 2HB LYS 46 -1.895 -3.836 2.997 386 HB3 LYS 46 1HB LYS 46 -0.613 -3.068 2.074 387 HG2 LYS 46 2HG LYS 46 -1.623 -1.151 2.576 388 HG3 LYS 46 1HG LYS 46 -2.823 -1.601 1.366 389 HD2 LYS 46 2HD LYS 46 -4.368 -2.237 2.939 390 HD3 LYS 46 1HD LYS 46 -3.136 -2.662 4.130 391 HE2 LYS 46 2HE LYS 46 -3.956 0.124 3.315 392 HE3 LYS 46 1HE LYS 46 -4.359 -0.682 4.830 393 HZ1 LYS 46 3HZ LYS 46 -1.794 -0.879 5.035 394 HZ2 LYS 46 1HZ LYS 46 -2.559 0.577 5.429 395 HZ3 LYS 46 2HZ LYS 46 -1.780 0.408 3.937 396 H ASP 47 H ASP 47 -4.306 -2.730 1.008 397 HA ASP 47 HA ASP 47 -5.961 -4.651 2.213 398 HB2 ASP 47 2HB ASP 47 -6.214 -2.009 1.701 399 HB3 ASP 47 1HB ASP 47 -7.248 -2.662 0.434 400 H GLU 48 H GLU 48 -5.136 -4.023 -1.116 401 HA GLU 48 HA GLU 48 -7.203 -5.402 -2.399 402 HB2 GLU 48 2HB GLU 48 -5.677 -3.997 -3.650 403 HB3 GLU 48 1HB GLU 48 -4.316 -5.019 -3.215 404 HG2 GLU 48 2HG GLU 48 -4.950 -6.703 -4.663 405 HG3 GLU 48 1HG GLU 48 -6.627 -6.164 -4.719 406 H ILE 49 H ILE 49 -4.239 -6.509 -0.885 407 HA ILE 49 HA ILE 49 -4.458 -9.204 -1.832 408 HB ILE 49 HB ILE 49 -2.927 -8.368 0.619 409 HG12 ILE 49 2HG1 ILE 49 -1.420 -8.442 -1.889 410 HG13 ILE 49 1HG1 ILE 49 -2.594 -7.134 -1.823 411 HG21 ILE 49 1HG2 ILE 49 -2.713 -10.597 -1.379 412 HG22 ILE 49 2HG2 ILE 49 -2.929 -10.699 0.368 413 HG23 ILE 49 3HG2 ILE 49 -1.383 -10.171 -0.301 414 HD11 ILE 49 3HD1 ILE 49 -0.144 -7.571 -0.223 415 HD12 ILE 49 1HD1 ILE 49 -1.512 -6.782 0.562 416 HD13 ILE 49 2HD1 ILE 49 -0.812 -6.085 -0.900 417 H LYS 50 H LYS 50 -5.457 -7.432 1.034 418 HA LYS 50 HA LYS 50 -6.227 -9.716 2.548 419 HB2 LYS 50 2HB LYS 50 -7.383 -6.955 2.875 420 HB3 LYS 50 1HB LYS 50 -7.171 -8.196 4.101 421 HG2 LYS 50 2HG LYS 50 -5.029 -6.557 2.774 422 HG3 LYS 50 1HG LYS 50 -5.535 -6.506 4.462 423 HD2 LYS 50 2HD LYS 50 -4.892 -9.107 4.258 424 HD3 LYS 50 1HD LYS 50 -3.790 -8.431 3.055 425 HE2 LYS 50 2HE LYS 50 -3.053 -6.785 4.803 426 HE3 LYS 50 1HE LYS 50 -3.998 -7.708 5.972 427 HZ1 LYS 50 3HZ LYS 50 -1.515 -8.440 4.595 428 HZ2 LYS 50 1HZ LYS 50 -2.596 -9.675 5.012 429 HZ3 LYS 50 2HZ LYS 50 -1.958 -8.667 6.212 430 H THR 51 H THR 51 -7.980 -7.473 0.443 431 HA THR 51 HA THR 51 -10.492 -8.828 0.853 432 HB THR 51 HB THR 51 -9.895 -6.832 -1.323 433 HG1 THR 51 1HG THR 51 -10.524 -6.298 1.391 434 HG21 THR 51 3HG2 THR 51 -12.061 -7.179 -1.707 435 HG22 THR 51 1HG2 THR 51 -12.318 -6.208 -0.257 436 HG23 THR 51 2HG2 THR 51 -12.311 -7.969 -0.150 437 H PHE 52 H PHE 52 -7.860 -8.958 -1.408 438 HA PHE 52 HA PHE 52 -7.391 -10.348 -3.147 439 HB2 PHE 52 2HB PHE 52 -8.431 -11.985 -1.359 440 HB3 PHE 52 1HB PHE 52 -9.754 -12.069 -2.518 441 HD1 PHE 52 1HD PHE 52 -6.159 -12.714 -2.023 442 HD2 PHE 52 2HD PHE 52 -9.545 -13.290 -4.536 443 HE1 PHE 52 1HE PHE 52 -4.909 -14.381 -3.321 444 HE2 PHE 52 2HE PHE 52 -8.302 -14.958 -5.837 445 HZ PHE 52 HZ PHE 52 -5.978 -15.511 -5.231 446 H THR 53 H THR 53 -9.373 -8.147 -3.386 447 HA THR 53 HA THR 53 -10.758 -7.242 -4.946 448 HB THR 53 HB THR 53 -10.415 -9.097 -7.116 449 HG1 THR 53 1HG THR 53 -8.510 -9.826 -6.673 450 HG21 THR 53 3HG2 THR 53 -10.300 -6.339 -6.705 451 HG22 THR 53 1HG2 THR 53 -10.152 -7.212 -8.230 452 HG23 THR 53 2HG2 THR 53 -8.708 -6.807 -7.300 453 H VAL 54 H VAL 54 -12.668 -7.761 -3.844 454 HA VAL 54 HA VAL 54 -14.241 -9.882 -5.138 455 HB VAL 54 HB VAL 54 -15.379 -10.227 -2.890 456 HG11 VAL 54 1HG1 VAL 54 -14.181 -12.078 -3.382 457 HG12 VAL 54 2HG1 VAL 54 -13.168 -11.505 -2.058 458 HG13 VAL 54 3HG1 VAL 54 -12.710 -11.168 -3.727 459 HG21 VAL 54 3HG2 VAL 54 -12.920 -9.411 -1.499 460 HG22 VAL 54 1HG2 VAL 54 -14.604 -9.294 -0.992 461 HG23 VAL 54 2HG2 VAL 54 -13.926 -8.088 -2.085 462 H THR 55 H THR 55 -15.523 -8.586 -6.356 463 HA THR 55 HA THR 55 -17.375 -6.852 -4.902 464 HB THR 55 HB THR 55 -15.909 -5.987 -7.404 465 HG1 THR 55 1HG THR 55 -15.643 -5.242 -4.691 466 HG21 THR 55 3HG2 THR 55 -17.770 -4.739 -7.646 467 HG22 THR 55 1HG2 THR 55 -16.952 -3.726 -6.457 468 HG23 THR 55 2HG2 THR 55 -18.207 -4.854 -5.941 469 H GLU 56 H GLU 56 -17.903 -9.399 -5.814 470 HA GLU 56 HA GLU 56 -19.860 -8.839 -7.927 471 HB2 GLU 56 2HB GLU 56 -17.613 -10.195 -8.529 472 HB3 GLU 56 1HB GLU 56 -18.612 -11.527 -7.963 473 HG2 GLU 56 2HG GLU 56 -20.233 -11.151 -9.631 474 HG3 GLU 56 1HG GLU 56 -19.549 -9.581 -10.046 Start of MODEL 20 1 H1 THR 1 1HT THR 1 -12.599 17.976 -3.791 2 H2 THR 1 2HT THR 1 -12.226 16.309 -3.956 3 H3 THR 1 3HT THR 1 -13.744 16.909 -4.489 4 HA THR 1 HA THR 1 -12.085 16.444 -6.240 5 HB THR 1 HB THR 1 -12.524 18.902 -7.171 6 HG1 THR 1 1HG THR 1 -13.094 19.722 -5.104 7 HG21 THR 1 1HG2 THR 1 -15.144 17.966 -6.971 8 HG22 THR 1 2HG2 THR 1 -14.122 16.529 -7.023 9 HG23 THR 1 3HG2 THR 1 -14.015 17.735 -8.306 10 H THR 2 H THR 2 -10.270 16.720 -4.158 11 HA THR 2 HA THR 2 -8.180 18.185 -5.476 12 HB THR 2 HB THR 2 -8.610 19.013 -2.635 13 HG1 THR 2 1HG THR 2 -9.787 20.340 -4.841 14 HG21 THR 2 3HG2 THR 2 -7.393 20.371 -5.024 15 HG22 THR 2 1HG2 THR 2 -6.543 19.702 -3.631 16 HG23 THR 2 2HG2 THR 2 -7.589 21.108 -3.433 17 H TYR 3 H TYR 3 -6.220 17.314 -5.064 18 HA TYR 3 HA TYR 3 -6.145 15.034 -3.248 19 HB2 TYR 3 2HB TYR 3 -4.586 15.908 -5.622 20 HB3 TYR 3 1HB TYR 3 -3.725 14.968 -4.408 21 HD1 TYR 3 2HD TYR 3 -7.044 14.852 -6.138 22 HD2 TYR 3 1HD TYR 3 -3.627 12.703 -4.798 23 HE1 TYR 3 2HE TYR 3 -7.979 12.787 -7.088 24 HE2 TYR 3 1HE TYR 3 -4.552 10.630 -5.744 25 HH TYR 3 HH TYR 3 -7.407 10.000 -6.355 26 H LYS 4 H LYS 4 -3.926 14.713 -2.135 27 HA LYS 4 HA LYS 4 -3.119 17.263 -0.917 28 HB2 LYS 4 2HB LYS 4 -2.805 16.101 1.201 29 HB3 LYS 4 1HB LYS 4 -4.455 15.901 0.634 30 HG2 LYS 4 2HG LYS 4 -3.405 13.696 -0.415 31 HG3 LYS 4 1HG LYS 4 -2.291 13.906 0.937 32 HD2 LYS 4 2HD LYS 4 -4.231 14.035 2.465 33 HD3 LYS 4 1HD LYS 4 -5.299 13.720 1.096 34 HE2 LYS 4 2HE LYS 4 -3.137 11.886 2.129 35 HE3 LYS 4 1HE LYS 4 -4.872 11.681 2.365 36 HZ1 LYS 4 3HZ LYS 4 -5.110 11.503 -0.056 37 HZ2 LYS 4 1HZ LYS 4 -4.115 10.289 0.575 38 HZ3 LYS 4 2HZ LYS 4 -3.431 11.610 -0.230 39 H LEU 5 H LEU 5 -2.068 14.813 -2.849 40 HA LEU 5 HA LEU 5 -0.004 14.169 -3.566 41 HB2 LEU 5 2HB LEU 5 0.225 16.862 -2.644 42 HB3 LEU 5 1HB LEU 5 1.708 16.004 -2.267 43 HG LEU 5 HG LEU 5 1.752 15.285 -4.706 44 HD11 LEU 5 1HD1 LEU 5 -0.237 15.675 -5.705 45 HD12 LEU 5 2HD1 LEU 5 0.498 17.248 -6.025 46 HD13 LEU 5 3HD1 LEU 5 -0.615 17.053 -4.674 47 HD21 LEU 5 3HD2 LEU 5 2.872 17.377 -3.441 48 HD22 LEU 5 1HD2 LEU 5 1.955 18.222 -4.694 49 HD23 LEU 5 2HD2 LEU 5 3.144 17.004 -5.145 50 H ILE 6 H ILE 6 2.487 14.137 -2.415 51 HA ILE 6 HA ILE 6 2.296 11.985 -0.606 52 HB ILE 6 HB ILE 6 4.601 13.758 -1.368 53 HG12 ILE 6 2HG1 ILE 6 5.026 12.339 -3.024 54 HG13 ILE 6 1HG1 ILE 6 4.853 10.940 -1.968 55 HG21 ILE 6 1HG2 ILE 6 4.642 11.318 0.380 56 HG22 ILE 6 2HG2 ILE 6 5.026 12.964 0.885 57 HG23 ILE 6 3HG2 ILE 6 6.071 12.115 -0.261 58 HD11 ILE 6 3HD1 ILE 6 2.654 12.433 -3.324 59 HD12 ILE 6 1HD1 ILE 6 2.447 11.063 -2.240 60 HD13 ILE 6 2HD1 ILE 6 3.281 10.848 -3.780 61 H LEU 7 H LEU 7 1.108 12.489 1.203 62 HA LEU 7 HA LEU 7 2.147 14.655 2.908 63 HB2 LEU 7 2HB LEU 7 -0.275 14.682 2.134 64 HB3 LEU 7 1HB LEU 7 -0.522 13.285 3.161 65 HG LEU 7 HG LEU 7 -1.220 15.451 4.184 66 HD11 LEU 7 1HD1 LEU 7 -0.054 13.268 5.328 67 HD12 LEU 7 2HD1 LEU 7 -0.825 14.588 6.210 68 HD13 LEU 7 3HD1 LEU 7 0.924 14.589 5.976 69 HD21 LEU 7 3HD2 LEU 7 0.412 17.017 4.936 70 HD22 LEU 7 1HD2 LEU 7 0.674 16.766 3.213 71 HD23 LEU 7 2HD2 LEU 7 1.737 15.991 4.388 72 H ASN 8 H ASN 8 0.862 11.333 3.050 73 HA ASN 8 HA ASN 8 2.724 10.770 5.228 74 HB2 ASN 8 2HB ASN 8 0.067 11.343 5.775 75 HB3 ASN 8 1HB ASN 8 0.109 9.584 5.761 76 HD21 ASN 8 1HD2 ASN 8 -0.424 11.082 8.043 77 HD22 ASN 8 2HD2 ASN 8 0.862 10.851 9.171 78 H LEU 9 H LEU 9 3.729 9.589 3.458 79 HA LEU 9 HA LEU 9 2.333 7.233 2.489 80 HB2 LEU 9 2HB LEU 9 4.971 8.521 1.874 81 HB3 LEU 9 1HB LEU 9 4.690 6.838 1.433 82 HG LEU 9 HG LEU 9 4.277 8.445 -0.420 83 HD11 LEU 9 1HD1 LEU 9 1.831 6.951 0.517 84 HD12 LEU 9 2HD1 LEU 9 3.191 6.248 -0.361 85 HD13 LEU 9 3HD1 LEU 9 2.175 7.465 -1.135 86 HD21 LEU 9 3HD2 LEU 9 2.604 10.041 -0.374 87 HD22 LEU 9 1HD2 LEU 9 3.280 10.157 1.252 88 HD23 LEU 9 2HD2 LEU 9 1.773 9.282 0.985 89 H LYS 10 H LYS 10 5.075 8.136 4.463 90 HA LYS 10 HA LYS 10 6.224 5.764 5.142 91 HB2 LYS 10 2HB LYS 10 6.005 8.410 6.261 92 HB3 LYS 10 1HB LYS 10 6.013 7.212 7.552 93 HG2 LYS 10 2HG LYS 10 8.234 7.341 7.389 94 HG3 LYS 10 1HG LYS 10 8.041 6.322 5.960 95 HD2 LYS 10 2HD LYS 10 7.911 8.349 4.563 96 HD3 LYS 10 1HD LYS 10 8.172 9.342 6.005 97 HE2 LYS 10 2HE LYS 10 10.353 8.370 6.326 98 HE3 LYS 10 1HE LYS 10 10.091 7.239 5.002 99 HZ1 LYS 10 3HZ LYS 10 10.014 10.163 4.582 100 HZ2 LYS 10 1HZ LYS 10 10.221 8.947 3.435 101 HZ3 LYS 10 2HZ LYS 10 11.465 9.296 4.519 102 H GLN 11 H GLN 11 3.205 7.114 6.297 103 HA GLN 11 HA GLN 11 2.708 5.191 8.324 104 HB2 GLN 11 2HB GLN 11 1.573 7.302 8.419 105 HB3 GLN 11 1HB GLN 11 0.904 7.083 6.812 106 HG2 GLN 11 2HG GLN 11 -0.854 5.979 7.601 107 HG3 GLN 11 1HG GLN 11 0.157 4.927 8.592 108 HE21 GLN 11 1HE2 GLN 11 1.229 6.364 10.449 109 HE22 GLN 11 2HE2 GLN 11 0.070 7.234 11.393 110 H ALA 12 H ALA 12 1.689 5.536 4.950 111 HA ALA 12 HA ALA 12 0.084 3.198 4.889 112 HB1 ALA 12 1HB ALA 12 0.385 5.290 3.219 113 HB2 ALA 12 2HB ALA 12 -0.353 3.760 2.745 114 HB3 ALA 12 3HB ALA 12 1.342 4.075 2.369 115 H LYS 13 H LYS 13 3.429 3.874 3.903 116 HA LYS 13 HA LYS 13 4.015 1.302 2.925 117 HB2 LYS 13 2HB LYS 13 5.960 3.226 4.209 118 HB3 LYS 13 1HB LYS 13 6.339 1.946 3.065 119 HG2 LYS 13 2HG LYS 13 4.640 3.301 1.552 120 HG3 LYS 13 1HG LYS 13 5.157 4.624 2.600 121 HD2 LYS 13 2HD LYS 13 7.445 3.109 1.774 122 HD3 LYS 13 1HD LYS 13 6.495 3.554 0.356 123 HE2 LYS 13 2HE LYS 13 6.480 5.877 1.781 124 HE3 LYS 13 1HE LYS 13 8.069 5.229 2.180 125 HZ1 LYS 13 3HZ LYS 13 8.770 5.990 0.237 126 HZ2 LYS 13 1HZ LYS 13 7.209 6.465 -0.210 127 HZ3 LYS 13 2HZ LYS 13 7.746 4.898 -0.551 128 H GLU 14 H GLU 14 4.660 2.768 6.099 129 HA GLU 14 HA GLU 14 5.775 0.457 7.275 130 HB2 GLU 14 2HB GLU 14 6.037 2.697 8.282 131 HB3 GLU 14 1HB GLU 14 4.319 2.724 8.664 132 HG2 GLU 14 2HG GLU 14 4.801 0.566 9.977 133 HG3 GLU 14 1HG GLU 14 6.490 1.061 9.867 134 H GLU 15 H GLU 15 2.467 1.597 6.975 135 HA GLU 15 HA GLU 15 1.340 -0.384 8.693 136 HB2 GLU 15 2HB GLU 15 0.246 1.796 8.143 137 HB3 GLU 15 1HB GLU 15 -0.035 1.194 6.513 138 HG2 GLU 15 2HG GLU 15 -1.778 -0.054 7.143 139 HG3 GLU 15 1HG GLU 15 -0.992 -0.582 8.629 140 H ALA 16 H ALA 16 2.066 -0.161 5.277 141 HA ALA 16 HA ALA 16 0.550 -2.307 4.324 142 HB1 ALA 16 1HB ALA 16 2.547 -2.439 2.623 143 HB2 ALA 16 2HB ALA 16 3.027 -0.931 3.401 144 HB3 ALA 16 3HB ALA 16 1.451 -1.057 2.622 145 H ILE 17 H ILE 17 3.900 -2.239 5.515 146 HA ILE 17 HA ILE 17 4.372 -5.006 5.224 147 HB ILE 17 HB ILE 17 6.273 -3.565 5.458 148 HG12 ILE 17 2HG1 ILE 17 7.550 -4.749 7.134 149 HG13 ILE 17 1HG1 ILE 17 6.093 -5.120 8.054 150 HG21 ILE 17 1HG2 ILE 17 5.211 -1.796 6.780 151 HG22 ILE 17 2HG2 ILE 17 6.749 -2.292 7.482 152 HG23 ILE 17 3HG2 ILE 17 5.237 -2.841 8.201 153 HD11 ILE 17 3HD1 ILE 17 6.029 -6.101 5.313 154 HD12 ILE 17 1HD1 ILE 17 5.633 -6.912 6.826 155 HD13 ILE 17 2HD1 ILE 17 7.312 -6.796 6.301 156 H LYS 18 H LYS 18 3.332 -3.058 7.960 157 HA LYS 18 HA LYS 18 3.206 -4.991 9.941 158 HB2 LYS 18 2HB LYS 18 2.964 -2.609 10.415 159 HB3 LYS 18 1HB LYS 18 1.441 -2.569 9.536 160 HG2 LYS 18 2HG LYS 18 0.564 -2.779 11.591 161 HG3 LYS 18 1HG LYS 18 0.890 -4.494 11.331 162 HD2 LYS 18 2HD LYS 18 3.284 -3.620 12.294 163 HD3 LYS 18 1HD LYS 18 2.154 -2.586 13.169 164 HE2 LYS 18 2HE LYS 18 2.070 -4.325 14.599 165 HE3 LYS 18 1HE LYS 18 0.927 -4.976 13.424 166 HZ1 LYS 18 3HZ LYS 18 2.552 -6.635 13.953 167 HZ2 LYS 18 1HZ LYS 18 3.829 -5.583 13.596 168 HZ3 LYS 18 2HZ LYS 18 2.811 -6.128 12.360 169 H GLU 19 H GLU 19 0.678 -3.933 7.660 170 HA GLU 19 HA GLU 19 -1.335 -5.648 8.551 171 HB2 GLU 19 2HB GLU 19 -0.786 -4.684 5.731 172 HB3 GLU 19 1HB GLU 19 -2.284 -5.439 6.258 173 HG2 GLU 19 2HG GLU 19 -1.358 -3.057 7.753 174 HG3 GLU 19 1HG GLU 19 -1.979 -2.809 6.122 175 H LEU 20 H LEU 20 1.243 -6.131 6.171 176 HA LEU 20 HA LEU 20 0.559 -8.779 5.474 177 HB2 LEU 20 2HB LEU 20 2.472 -6.931 4.734 178 HB3 LEU 20 1HB LEU 20 3.422 -8.185 5.519 179 HG LEU 20 HG LEU 20 1.933 -9.750 3.940 180 HD11 LEU 20 1HD1 LEU 20 2.076 -8.209 1.715 181 HD12 LEU 20 2HD1 LEU 20 1.588 -7.017 2.933 182 HD13 LEU 20 3HD1 LEU 20 0.613 -8.462 2.677 183 HD21 LEU 20 3HD2 LEU 20 3.844 -10.082 2.768 184 HD22 LEU 20 1HD2 LEU 20 4.524 -9.094 4.060 185 HD23 LEU 20 2HD2 LEU 20 4.120 -8.362 2.509 186 H VAL 21 H VAL 21 2.373 -7.300 8.065 187 HA VAL 21 HA VAL 21 3.491 -9.682 9.113 188 HB VAL 21 HB VAL 21 3.016 -7.114 10.628 189 HG11 VAL 21 1HG1 VAL 21 3.597 -8.557 12.278 190 HG12 VAL 21 2HG1 VAL 21 5.212 -8.111 11.719 191 HG13 VAL 21 3HG1 VAL 21 4.483 -9.625 11.186 192 HG21 VAL 21 3HG2 VAL 21 5.718 -7.354 9.889 193 HG22 VAL 21 1HG2 VAL 21 4.548 -6.172 9.309 194 HG23 VAL 21 2HG2 VAL 21 4.783 -7.682 8.431 195 H ASP 22 H ASP 22 0.508 -7.916 9.673 196 HA ASP 22 HA ASP 22 -0.252 -9.457 11.971 197 HB2 ASP 22 2HB ASP 22 -1.706 -7.497 10.204 198 HB3 ASP 22 1HB ASP 22 -2.523 -8.363 11.503 199 H ALA 23 H ALA 23 -0.622 -9.782 8.535 200 HA ALA 23 HA ALA 23 -2.481 -12.028 8.937 201 HB1 ALA 23 1HB ALA 23 -1.944 -10.338 6.501 202 HB2 ALA 23 2HB ALA 23 -3.416 -10.390 7.472 203 HB3 ALA 23 3HB ALA 23 -2.953 -11.785 6.496 204 H GLY 24 H GLY 24 -0.248 -11.336 6.266 205 HA2 GLY 24 2HA GLY 24 1.881 -12.556 6.116 206 HA3 GLY 24 1HA GLY 24 1.032 -13.949 6.793 207 H THR 25 H THR 25 0.547 -11.663 4.102 208 HA THR 25 HA THR 25 -0.193 -13.947 2.401 209 HB THR 25 HB THR 25 -1.881 -12.133 2.726 210 HG1 THR 25 1HG THR 25 -1.081 -12.079 0.036 211 HG21 THR 25 3HG2 THR 25 -0.175 -10.265 2.740 212 HG22 THR 25 1HG2 THR 25 -1.645 -9.995 1.806 213 HG23 THR 25 2HG2 THR 25 -0.144 -10.421 0.984 214 H ALA 26 H ALA 26 0.240 -13.379 -0.019 215 HA ALA 26 HA ALA 26 2.875 -13.636 -0.595 216 HB1 ALA 26 1HB ALA 26 1.385 -12.033 -2.554 217 HB2 ALA 26 2HB ALA 26 0.629 -13.549 -2.061 218 HB3 ALA 26 3HB ALA 26 2.251 -13.557 -2.756 219 H GLU 27 H GLU 27 4.348 -12.347 0.402 220 HA GLU 27 HA GLU 27 4.178 -9.622 0.881 221 HB2 GLU 27 2HB GLU 27 6.814 -10.884 0.201 222 HB3 GLU 27 1HB GLU 27 6.457 -9.671 1.418 223 HG2 GLU 27 2HG GLU 27 5.061 -11.591 2.505 224 HG3 GLU 27 1HG GLU 27 6.097 -12.621 1.526 225 H LYS 28 H LYS 28 4.989 -11.311 -2.061 226 HA LYS 28 HA LYS 28 6.379 -9.509 -3.549 227 HB2 LYS 28 2HB LYS 28 4.294 -11.517 -4.179 228 HB3 LYS 28 1HB LYS 28 4.602 -10.312 -5.422 229 HG2 LYS 28 2HG LYS 28 5.962 -12.198 -5.887 230 HG3 LYS 28 1HG LYS 28 7.020 -10.914 -5.299 231 HD2 LYS 28 2HD LYS 28 7.800 -12.701 -4.092 232 HD3 LYS 28 1HD LYS 28 6.604 -12.053 -2.975 233 HE2 LYS 28 2HE LYS 28 6.517 -14.533 -3.257 234 HE3 LYS 28 1HE LYS 28 5.005 -13.703 -3.617 235 HZ1 LYS 28 3HZ LYS 28 5.112 -14.264 -5.778 236 HZ2 LYS 28 1HZ LYS 28 6.103 -15.507 -5.222 237 HZ3 LYS 28 2HZ LYS 28 6.788 -14.103 -5.869 238 H TYR 29 H TYR 29 3.018 -9.344 -2.584 239 HA TYR 29 HA TYR 29 2.351 -7.112 -4.237 240 HB2 TYR 29 2HB TYR 29 0.968 -8.893 -2.527 241 HB3 TYR 29 1HB TYR 29 0.677 -7.267 -1.905 242 HD1 TYR 29 1HD TYR 29 0.283 -5.552 -4.069 243 HD2 TYR 29 2HD TYR 29 -0.650 -9.690 -3.843 244 HE1 TYR 29 1HE TYR 29 -1.424 -5.257 -5.813 245 HE2 TYR 29 2HE TYR 29 -2.345 -9.413 -5.573 246 HH TYR 29 HH TYR 29 -3.815 -7.381 -6.423 247 H ILE 30 H ILE 30 3.318 -7.509 -0.837 248 HA ILE 30 HA ILE 30 3.068 -4.812 -0.101 249 HB ILE 30 HB ILE 30 3.449 -6.813 1.449 250 HG12 ILE 30 2HG1 ILE 30 3.379 -4.502 2.284 251 HG13 ILE 30 1HG1 ILE 30 4.544 -5.471 3.175 252 HG21 ILE 30 1HG2 ILE 30 5.315 -7.969 1.011 253 HG22 ILE 30 2HG2 ILE 30 6.090 -6.751 2.020 254 HG23 ILE 30 3HG2 ILE 30 6.128 -6.596 0.269 255 HD11 ILE 30 3HD1 ILE 30 6.157 -4.428 1.303 256 HD12 ILE 30 1HD1 ILE 30 5.845 -3.674 2.866 257 HD13 ILE 30 2HD1 ILE 30 4.959 -3.140 1.437 258 H LYS 31 H LYS 31 5.556 -6.571 -1.794 259 HA LYS 31 HA LYS 31 7.577 -4.586 -1.659 260 HB2 LYS 31 2HB LYS 31 7.888 -7.018 -2.309 261 HB3 LYS 31 1HB LYS 31 7.189 -6.604 -3.873 262 HG2 LYS 31 2HG LYS 31 9.553 -5.109 -2.813 263 HG3 LYS 31 1HG LYS 31 9.743 -6.659 -3.625 264 HD2 LYS 31 2HD LYS 31 8.087 -5.351 -5.341 265 HD3 LYS 31 1HD LYS 31 9.084 -4.031 -4.729 266 HE2 LYS 31 2HE LYS 31 11.078 -5.541 -5.238 267 HE3 LYS 31 1HE LYS 31 9.947 -6.520 -6.172 268 HZ1 LYS 31 3HZ LYS 31 10.959 -3.828 -6.703 269 HZ2 LYS 31 1HZ LYS 31 9.392 -4.200 -7.219 270 HZ3 LYS 31 2HZ LYS 31 10.700 -5.115 -7.769 271 H LEU 32 H LEU 32 4.806 -5.146 -3.699 272 HA LEU 32 HA LEU 32 5.465 -3.337 -5.773 273 HB2 LEU 32 2HB LEU 32 3.370 -5.111 -5.180 274 HB3 LEU 32 1HB LEU 32 2.614 -3.529 -5.309 275 HG LEU 32 HG LEU 32 2.499 -4.546 -7.457 276 HD11 LEU 32 1HD1 LEU 32 3.595 -2.951 -8.827 277 HD12 LEU 32 2HD1 LEU 32 4.842 -2.666 -7.614 278 HD13 LEU 32 3HD1 LEU 32 3.188 -2.132 -7.320 279 HD21 LEU 32 3HD2 LEU 32 3.975 -6.249 -7.675 280 HD22 LEU 32 1HD2 LEU 32 5.262 -5.389 -6.830 281 HD23 LEU 32 2HD2 LEU 32 4.910 -5.012 -8.516 282 H ILE 33 H ILE 33 3.992 -2.972 -2.624 283 HA ILE 33 HA ILE 33 3.047 -0.307 -3.088 284 HB ILE 33 HB ILE 33 2.227 -0.298 -0.932 285 HG12 ILE 33 2HG1 ILE 33 3.326 -2.299 0.620 286 HG13 ILE 33 1HG1 ILE 33 4.717 -1.690 -0.264 287 HG21 ILE 33 1HG2 ILE 33 1.646 -2.406 -2.426 288 HG22 ILE 33 2HG2 ILE 33 0.963 -2.176 -0.816 289 HG23 ILE 33 3HG2 ILE 33 2.340 -3.253 -1.044 290 HD11 ILE 33 3HD1 ILE 33 2.828 0.048 1.295 291 HD12 ILE 33 1HD1 ILE 33 4.365 0.516 0.567 292 HD13 ILE 33 2HD1 ILE 33 4.340 -0.604 1.929 293 H ALA 34 H ALA 34 6.005 -1.729 -1.922 294 HA ALA 34 HA ALA 34 7.275 0.098 -0.433 295 HB1 ALA 34 1HB ALA 34 8.443 -1.279 -2.848 296 HB2 ALA 34 2HB ALA 34 8.382 -1.903 -1.200 297 HB3 ALA 34 3HB ALA 34 9.383 -0.500 -1.574 298 H ASN 35 H ASN 35 6.830 0.390 -3.938 299 HA ASN 35 HA ASN 35 7.746 3.182 -3.769 300 HB2 ASN 35 2HB ASN 35 8.509 1.185 -5.531 301 HB3 ASN 35 1HB ASN 35 7.337 2.121 -6.463 302 HD21 ASN 35 1HD2 ASN 35 10.490 1.796 -5.926 303 HD22 ASN 35 2HD2 ASN 35 11.029 3.419 -6.190 304 H ALA 36 H ALA 36 5.123 1.072 -4.658 305 HA ALA 36 HA ALA 36 3.030 1.451 -5.505 306 HB1 ALA 36 1HB ALA 36 1.761 3.069 -4.094 307 HB2 ALA 36 2HB ALA 36 3.290 3.533 -3.347 308 HB3 ALA 36 3HB ALA 36 2.695 1.881 -3.185 309 H LYS 37 H LYS 37 2.597 4.726 -4.868 310 HA LYS 37 HA LYS 37 3.732 6.030 -7.043 311 HB2 LYS 37 2HB LYS 37 1.986 4.264 -8.070 312 HB3 LYS 37 1HB LYS 37 0.874 5.593 -7.744 313 HG2 LYS 37 2HG LYS 37 2.963 6.860 -8.972 314 HG3 LYS 37 1HG LYS 37 2.904 5.309 -9.814 315 HD2 LYS 37 2HD LYS 37 0.460 5.678 -10.161 316 HD3 LYS 37 1HD LYS 37 0.659 7.294 -9.481 317 HE2 LYS 37 2HE LYS 37 2.363 7.731 -11.253 318 HE3 LYS 37 1HE LYS 37 1.924 6.184 -11.975 319 HZ1 LYS 37 3HZ LYS 37 0.795 8.474 -12.669 320 HZ2 LYS 37 1HZ LYS 37 -0.262 8.022 -11.423 321 HZ3 LYS 37 2HZ LYS 37 -0.021 6.993 -12.742 322 H THR 38 H THR 38 0.858 5.668 -5.050 323 HA THR 38 HA THR 38 1.070 8.446 -4.226 324 HB THR 38 HB THR 38 -1.593 8.424 -4.522 325 HG1 THR 38 1HG THR 38 -1.472 6.330 -5.558 326 HG21 THR 38 3HG2 THR 38 0.344 9.114 -6.716 327 HG22 THR 38 1HG2 THR 38 -0.221 10.178 -5.428 328 HG23 THR 38 2HG2 THR 38 -1.348 9.608 -6.659 329 H VAL 39 H VAL 39 -0.655 8.878 -2.464 330 HA VAL 39 HA VAL 39 -0.228 7.146 -0.335 331 HB VAL 39 HB VAL 39 -2.625 8.961 -0.614 332 HG11 VAL 39 1HG1 VAL 39 -2.366 7.259 1.318 333 HG12 VAL 39 2HG1 VAL 39 -2.788 8.928 1.697 334 HG13 VAL 39 3HG1 VAL 39 -1.129 8.368 1.909 335 HG21 VAL 39 3HG2 VAL 39 -1.044 10.538 -0.978 336 HG22 VAL 39 1HG2 VAL 39 0.246 9.563 -0.274 337 HG23 VAL 39 2HG2 VAL 39 -0.868 10.440 0.774 338 H GLU 40 H GLU 40 -3.218 7.510 -2.249 339 HA GLU 40 HA GLU 40 -4.597 5.388 -1.024 340 HB2 GLU 40 2HB GLU 40 -5.232 7.334 -2.850 341 HB3 GLU 40 1HB GLU 40 -5.282 5.879 -3.836 342 HG2 GLU 40 2HG GLU 40 -7.167 5.154 -2.885 343 HG3 GLU 40 1HG GLU 40 -6.634 5.603 -1.265 344 H GLY 41 H GLY 41 -2.561 5.507 -3.920 345 HA2 GLY 41 2HA GLY 41 -3.024 2.979 -4.949 346 HA3 GLY 41 1HA GLY 41 -1.493 3.830 -5.069 347 H VAL 42 H VAL 42 -1.053 3.897 -2.193 348 HA VAL 42 HA VAL 42 0.155 1.301 -1.933 349 HB VAL 42 HB VAL 42 0.052 3.256 0.335 350 HG11 VAL 42 1HG1 VAL 42 2.396 1.674 -0.674 351 HG12 VAL 42 2HG1 VAL 42 1.185 0.968 0.398 352 HG13 VAL 42 3HG1 VAL 42 2.132 2.358 0.929 353 HG21 VAL 42 3HG2 VAL 42 0.818 4.904 -0.967 354 HG22 VAL 42 1HG2 VAL 42 1.112 3.814 -2.323 355 HG23 VAL 42 2HG2 VAL 42 2.320 3.981 -1.047 356 H TRP 43 H TRP 43 -2.293 3.127 -0.103 357 HA TRP 43 HA TRP 43 -2.898 1.169 1.789 358 HB2 TRP 43 2HB TRP 43 -4.666 3.299 0.583 359 HB3 TRP 43 1HB TRP 43 -5.111 2.333 1.979 360 HD1 TRP 43 HD TRP 43 -3.525 5.539 1.120 361 HE1 TRP 43 1HE TRP 43 -2.336 6.541 3.173 362 HE3 TRP 43 3HE TRP 43 -3.575 1.441 4.136 363 HZ2 TRP 43 2HZ TRP 43 -1.526 5.692 5.748 364 HZ3 TRP 43 3HZ TRP 43 -2.576 1.603 6.385 365 HH2 TRP 43 HH TRP 43 -1.573 3.689 7.171 366 H THR 44 H THR 44 -3.993 1.565 -1.521 367 HA THR 44 HA THR 44 -6.056 -0.407 -1.339 368 HB THR 44 HB THR 44 -6.073 1.441 -3.003 369 HG1 THR 44 1HG THR 44 -6.069 -1.119 -4.216 370 HG21 THR 44 3HG2 THR 44 -3.871 1.617 -3.788 371 HG22 THR 44 1HG2 THR 44 -4.813 0.994 -5.141 372 HG23 THR 44 2HG2 THR 44 -3.793 -0.096 -4.201 373 H LEU 45 H LEU 45 -2.664 -0.424 -2.282 374 HA LEU 45 HA LEU 45 -2.609 -2.950 -3.504 375 HB2 LEU 45 2HB LEU 45 -0.433 -1.478 -2.012 376 HB3 LEU 45 1HB LEU 45 -0.176 -2.955 -2.921 377 HD11 LEU 45 1HD2 LEU 45 1.577 -1.418 -4.175 378 HD12 LEU 45 2HD2 LEU 45 0.980 -0.048 -3.240 379 HD13 LEU 45 3HD2 LEU 45 0.946 0.006 -5.002 380 HD21 LEU 45 3HD1 LEU 45 0.181 -2.460 -5.727 381 HD22 LEU 45 1HD1 LEU 45 -1.254 -1.516 -6.130 382 HD23 LEU 45 2HD1 LEU 45 -1.397 -2.946 -5.109 383 H LYS 46 H LYS 46 -1.856 -2.089 -0.105 384 HA LYS 46 HA LYS 46 -1.451 -4.739 0.765 385 HB2 LYS 46 2HB LYS 46 -2.151 -3.689 3.059 386 HB3 LYS 46 1HB LYS 46 -0.645 -3.212 2.291 387 HG2 LYS 46 2HG LYS 46 -1.297 -1.094 2.081 388 HG3 LYS 46 1HG LYS 46 -2.896 -1.549 1.490 389 HD2 LYS 46 2HD LYS 46 -2.198 -1.869 4.384 390 HD3 LYS 46 1HD LYS 46 -2.686 -0.295 3.753 391 HE2 LYS 46 2HE LYS 46 -4.727 -1.107 4.373 392 HE3 LYS 46 1HE LYS 46 -4.657 -1.716 2.719 393 HZ1 LYS 46 3HZ LYS 46 -5.212 -3.246 4.808 394 HZ2 LYS 46 1HZ LYS 46 -3.532 -3.438 4.776 395 HZ3 LYS 46 2HZ LYS 46 -4.454 -3.837 3.416 396 H ASP 47 H ASP 47 -4.322 -2.640 0.983 397 HA ASP 47 HA ASP 47 -6.025 -4.560 2.129 398 HB2 ASP 47 2HB ASP 47 -6.509 -2.138 2.126 399 HB3 ASP 47 1HB ASP 47 -6.754 -2.198 0.382 400 H GLU 48 H GLU 48 -5.035 -3.949 -1.152 401 HA GLU 48 HA GLU 48 -7.078 -5.282 -2.529 402 HB2 GLU 48 2HB GLU 48 -4.313 -4.434 -3.121 403 HB3 GLU 48 1HB GLU 48 -4.905 -5.774 -4.092 404 HG2 GLU 48 2HG GLU 48 -6.700 -4.485 -4.940 405 HG3 GLU 48 1HG GLU 48 -6.411 -3.194 -3.774 406 H ILE 49 H ILE 49 -4.155 -6.451 -0.960 407 HA ILE 49 HA ILE 49 -4.420 -9.135 -1.919 408 HB ILE 49 HB ILE 49 -2.918 -8.382 0.573 409 HG12 ILE 49 2HG1 ILE 49 -1.268 -8.385 -1.809 410 HG13 ILE 49 1HG1 ILE 49 -2.519 -7.151 -1.919 411 HG21 ILE 49 1HG2 ILE 49 -2.821 -10.665 0.325 412 HG22 ILE 49 2HG2 ILE 49 -1.371 -10.160 -0.542 413 HG23 ILE 49 3HG2 ILE 49 -2.830 -10.583 -1.436 414 HD11 ILE 49 3HD1 ILE 49 -0.190 -7.343 -0.124 415 HD12 ILE 49 1HD1 ILE 49 -1.672 -6.686 0.569 416 HD13 ILE 49 2HD1 ILE 49 -0.956 -5.931 -0.855 417 H LYS 50 H LYS 50 -5.468 -7.363 0.927 418 HA LYS 50 HA LYS 50 -6.228 -9.568 2.503 419 HB2 LYS 50 2HB LYS 50 -7.548 -6.855 2.525 420 HB3 LYS 50 1HB LYS 50 -7.461 -8.014 3.844 421 HG2 LYS 50 2HG LYS 50 -5.186 -6.433 2.671 422 HG3 LYS 50 1HG LYS 50 -5.919 -6.231 4.262 423 HD2 LYS 50 2HD LYS 50 -5.211 -8.584 4.778 424 HD3 LYS 50 1HD LYS 50 -4.305 -8.573 3.266 425 HE2 LYS 50 2HE LYS 50 -2.643 -7.375 4.155 426 HE3 LYS 50 1HE LYS 50 -3.759 -6.238 4.910 427 HZ1 LYS 50 3HZ LYS 50 -3.155 -7.151 6.827 428 HZ2 LYS 50 1HZ LYS 50 -2.358 -8.437 6.069 429 HZ3 LYS 50 2HZ LYS 50 -4.017 -8.533 6.375 430 H THR 51 H THR 51 -7.832 -7.883 -0.107 431 HA THR 51 HA THR 51 -10.259 -9.476 0.319 432 HB THR 51 HB THR 51 -9.947 -7.286 -1.720 433 HG1 THR 51 1HG THR 51 -10.517 -7.044 1.040 434 HG21 THR 51 3HG2 THR 51 -12.044 -7.872 -2.148 435 HG22 THR 51 1HG2 THR 51 -12.445 -7.126 -0.600 436 HG23 THR 51 2HG2 THR 51 -12.154 -8.862 -0.692 437 H PHE 52 H PHE 52 -7.686 -8.870 -1.991 438 HA PHE 52 HA PHE 52 -8.844 -10.794 -3.867 439 HB2 PHE 52 2HB PHE 52 -7.783 -8.479 -4.479 440 HB3 PHE 52 1HB PHE 52 -6.261 -9.356 -4.337 441 HD1 PHE 52 2HD PHE 52 -9.594 -9.650 -5.979 442 HD2 PHE 52 1HD PHE 52 -5.411 -10.398 -6.201 443 HE1 PHE 52 2HE PHE 52 -9.872 -10.492 -8.274 444 HE2 PHE 52 1HE PHE 52 -5.680 -11.241 -8.498 445 HZ PHE 52 HZ PHE 52 -7.913 -11.289 -9.536 446 H THR 53 H THR 53 -7.726 -11.621 -1.290 447 HA THR 53 HA THR 53 -5.196 -12.649 -1.294 448 HB THR 53 HB THR 53 -6.198 -14.567 0.079 449 HG1 THR 53 1HG THR 53 -8.319 -14.557 0.445 450 HG21 THR 53 3HG2 THR 53 -6.688 -13.217 1.982 451 HG22 THR 53 1HG2 THR 53 -6.998 -11.809 0.965 452 HG23 THR 53 2HG2 THR 53 -5.366 -12.464 1.092 453 H VAL 54 H VAL 54 -4.101 -14.198 -2.332 454 HA VAL 54 HA VAL 54 -5.008 -15.320 -4.710 455 HB VAL 54 HB VAL 54 -3.049 -16.916 -4.447 456 HG11 VAL 54 1HG1 VAL 54 -2.498 -13.968 -4.117 457 HG12 VAL 54 2HG1 VAL 54 -2.900 -14.774 -5.632 458 HG13 VAL 54 3HG1 VAL 54 -1.397 -15.164 -4.799 459 HG21 VAL 54 3HG2 VAL 54 -2.280 -15.226 -2.094 460 HG22 VAL 54 1HG2 VAL 54 -1.607 -16.768 -2.627 461 HG23 VAL 54 2HG2 VAL 54 -3.204 -16.714 -1.878 462 H THR 55 H THR 55 -5.489 -16.382 -1.461 463 HA THR 55 HA THR 55 -5.889 -19.133 -1.917 464 HB THR 55 HB THR 55 -7.306 -17.503 0.187 465 HG1 THR 55 1HG THR 55 -5.237 -16.904 0.465 466 HG21 THR 55 3HG2 THR 55 -7.252 -19.427 1.529 467 HG22 THR 55 1HG2 THR 55 -6.135 -20.253 0.442 468 HG23 THR 55 2HG2 THR 55 -7.802 -19.967 -0.058 469 H GLU 56 H GLU 56 -7.082 -19.111 -3.922 470 HA GLU 56 HA GLU 56 -8.964 -19.302 -5.185 471 HB2 GLU 56 2HB GLU 56 -10.270 -19.652 -2.480 472 HB3 GLU 56 1HB GLU 56 -11.001 -20.066 -4.025 473 HG2 GLU 56 2HG GLU 56 -9.340 -21.764 -4.411 474 HG3 GLU 56 1HG GLU 56 -8.477 -21.296 -2.945
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