NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
584347 | 2mwd | 25313 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 433 HT1 SER 433 9.575 -1.131 8.579 2 H2 SER 433 HT2 SER 433 10.587 0.098 7.993 3 H3 SER 433 HT3 SER 433 10.874 -1.519 7.562 4 HA SER 433 HA SER 433 8.529 0.110 6.793 5 HB2 SER 433 HB2 SER 433 10.817 -0.995 5.140 6 HB3 SER 433 HB1 SER 433 9.436 -0.098 4.510 7 HG SER 433 HG SER 433 10.133 1.649 5.948 8 H GLU 434 HN GLU 434 6.816 -1.156 6.922 9 HA GLU 434 HA GLU 434 7.082 -3.988 6.151 10 HB2 GLU 434 HB2 GLU 434 5.090 -2.655 7.998 11 HB3 GLU 434 HB1 GLU 434 5.029 -4.345 7.526 12 HG2 GLU 434 HG2 GLU 434 5.973 -4.192 9.709 13 HG3 GLU 434 HG1 GLU 434 7.244 -4.675 8.590 14 H TRP 435 HN TRP 435 4.840 -1.238 6.080 15 HA TRP 435 HA TRP 435 3.649 -2.350 3.626 16 HB2 TRP 435 HB2 TRP 435 2.329 -0.671 5.783 17 HB3 TRP 435 HB1 TRP 435 1.556 -1.188 4.288 18 HD1 TRP 435 HD1 TRP 435 1.585 -2.120 7.764 19 HE1 TRP 435 HE1 TRP 435 0.931 -4.594 8.109 20 HE3 TRP 435 HE3 TRP 435 2.161 -3.792 2.981 21 HZ2 TRP 435 HZ2 TRP 435 0.697 -6.930 6.561 22 HZ3 TRP 435 HZ3 TRP 435 1.709 -6.153 2.500 23 HH2 TRP 435 HH2 TRP 435 0.996 -7.692 4.237 24 H THR 436 HN THR 436 3.472 -0.984 1.868 25 HA THR 436 HA THR 436 4.918 1.531 2.086 26 HB THR 436 HB THR 436 3.806 0.080 -0.325 27 HG1 THR 436 HG1 THR 436 6.122 -0.118 1.114 28 HG21 THR 436 HG21 THR 436 5.146 1.673 -1.658 29 HG22 THR 436 HG22 THR 436 5.539 2.557 -0.183 30 HG23 THR 436 HG23 THR 436 3.868 2.484 -0.748 31 H GLU 437 HN GLU 437 3.623 3.031 3.016 32 HA GLU 437 HA GLU 437 0.967 3.503 1.919 33 HB2 GLU 437 HB2 GLU 437 2.444 5.132 3.998 34 HB3 GLU 437 HB1 GLU 437 0.733 5.214 3.613 35 HG2 GLU 437 HG2 GLU 437 0.481 2.895 4.445 36 HG3 GLU 437 HG1 GLU 437 2.178 2.923 4.923 37 H ARG 438 HN ARG 438 1.200 4.310 -0.124 38 HA ARG 438 HA ARG 438 2.879 6.716 -0.370 39 HB2 ARG 438 HB2 ARG 438 3.845 4.779 -1.580 40 HB3 ARG 438 HB1 ARG 438 2.357 4.633 -2.507 41 HG2 ARG 438 HG2 ARG 438 2.759 6.975 -3.323 42 HG3 ARG 438 HG1 ARG 438 4.355 6.878 -2.578 43 HD2 ARG 438 HD2 ARG 438 3.323 4.928 -4.624 44 HD3 ARG 438 HD1 ARG 438 4.298 6.340 -5.021 45 HE ARG 438 HE ARG 438 5.834 5.079 -3.206 46 HH11 ARG 438 HH11 ARG 438 4.131 3.888 -6.018 47 HH12 ARG 438 HH12 ARG 438 5.351 2.728 -6.435 48 HH21 ARG 438 HH21 ARG 438 7.443 3.532 -3.729 49 HH22 ARG 438 HH22 ARG 438 7.228 2.507 -5.113 50 H LYS 439 HN LYS 439 1.970 8.429 -1.748 51 HA LYS 439 HA LYS 439 -0.923 8.195 -1.989 52 HB2 LYS 439 HB2 LYS 439 0.892 10.596 -2.220 53 HB3 LYS 439 HB1 LYS 439 -0.860 10.645 -2.372 54 HG2 LYS 439 HG2 LYS 439 -0.956 9.677 -0.036 55 HG3 LYS 439 HG1 LYS 439 0.774 10.015 0.068 56 HD2 LYS 439 HD2 LYS 439 0.332 12.376 -0.416 57 HD3 LYS 439 HD1 LYS 439 -1.398 12.033 -0.489 58 HE2 LYS 439 HE2 LYS 439 -1.200 11.172 1.873 59 HE3 LYS 439 HE1 LYS 439 0.429 11.848 1.895 60 HZ1 LYS 439 HZ1 LYS 439 -1.022 13.450 2.832 61 HZ2 LYS 439 HZ2 LYS 439 -2.127 13.308 1.553 62 HZ3 LYS 439 HZ3 LYS 439 -0.612 14.018 1.283 63 H THR 440 HN THR 440 -1.753 7.588 -3.813 64 HA THR 440 HA THR 440 -0.379 8.058 -6.329 65 HB THR 440 HB THR 440 -1.499 5.884 -6.004 66 HG1 THR 440 HG1 THR 440 -1.466 6.247 -8.121 67 HG21 THR 440 HG21 THR 440 -3.946 5.730 -6.031 68 HG22 THR 440 HG22 THR 440 -4.060 7.489 -5.964 69 HG23 THR 440 HG23 THR 440 -3.374 6.598 -4.606 70 H ALA 441 HN ALA 441 -1.380 9.184 -8.076 71 HA ALA 441 HA ALA 441 -2.083 11.775 -7.299 72 HB1 ALA 441 HB1 ALA 441 -0.913 11.251 -9.375 73 HB2 ALA 441 HB2 ALA 441 -2.345 12.237 -9.668 74 HB3 ALA 441 HB3 ALA 441 -2.379 10.508 -10.015 75 H ASP 442 HN ASP 442 -4.108 9.061 -7.609 76 HA ASP 442 HA ASP 442 -6.524 10.355 -8.368 77 HB2 ASP 442 HB2 ASP 442 -6.136 7.870 -8.430 78 HB3 ASP 442 HB1 ASP 442 -6.222 7.863 -6.672 79 H GLY 443 HN GLY 443 -4.618 10.658 -5.650 80 HA2 GLY 443 HA2 GLY 443 -5.028 12.113 -3.854 81 HA3 GLY 443 HA1 GLY 443 -6.748 12.040 -4.213 82 H LYS 444 HN LYS 444 -4.914 9.130 -4.046 83 HA LYS 444 HA LYS 444 -6.178 8.513 -1.453 84 HB2 LYS 444 HB2 LYS 444 -5.881 6.781 -3.904 85 HB3 LYS 444 HB1 LYS 444 -6.228 6.117 -2.315 86 HG2 LYS 444 HG2 LYS 444 -8.295 7.422 -2.224 87 HG3 LYS 444 HG1 LYS 444 -7.948 8.073 -3.829 88 HD2 LYS 444 HD2 LYS 444 -8.073 5.863 -4.800 89 HD3 LYS 444 HD1 LYS 444 -8.260 5.136 -3.204 90 HE2 LYS 444 HE2 LYS 444 -10.394 5.300 -4.429 91 HE3 LYS 444 HE1 LYS 444 -10.406 6.209 -2.918 92 HZ1 LYS 444 HZ1 LYS 444 -10.191 8.230 -4.073 93 HZ2 LYS 444 HZ2 LYS 444 -11.389 7.360 -4.900 94 HZ3 LYS 444 HZ3 LYS 444 -9.816 7.464 -5.539 95 H THR 445 HN THR 445 -4.915 7.601 0.062 96 HA THR 445 HA THR 445 -2.115 7.123 -0.578 97 HB THR 445 HB THR 445 -3.453 6.786 2.112 98 HG1 THR 445 HG1 THR 445 -3.443 8.996 0.871 99 HG21 THR 445 HG21 THR 445 -1.291 6.858 3.021 100 HG22 THR 445 HG22 THR 445 -0.602 7.553 1.556 101 HG23 THR 445 HG23 THR 445 -1.096 5.863 1.574 102 H TYR 446 HN TYR 446 -1.921 5.207 -1.662 103 HA TYR 446 HA TYR 446 -3.615 2.994 -0.834 104 HB2 TYR 446 HB2 TYR 446 -2.966 1.895 -2.882 105 HB3 TYR 446 HB1 TYR 446 -3.475 3.536 -3.238 106 HD1 TYR 446 HD1 TYR 446 -1.569 5.291 -3.519 107 HD2 TYR 446 HD2 TYR 446 -0.978 1.086 -3.732 108 HE1 TYR 446 HE1 TYR 446 0.495 5.652 -4.807 109 HE2 TYR 446 HE2 TYR 446 1.094 1.433 -5.009 110 HH TYR 446 HH TYR 446 1.966 3.373 -6.595 111 H TYR 447 HN TYR 447 -2.846 1.078 -0.017 112 HA TYR 447 HA TYR 447 -0.075 1.188 0.906 113 HB2 TYR 447 HB2 TYR 447 -2.026 -0.818 1.959 114 HB3 TYR 447 HB1 TYR 447 -0.708 0.009 2.789 115 HD1 TYR 447 HD1 TYR 447 -1.075 2.677 2.930 116 HD2 TYR 447 HD2 TYR 447 -4.165 -0.218 2.538 117 HE1 TYR 447 HE1 TYR 447 -2.696 4.288 3.845 118 HE2 TYR 447 HE2 TYR 447 -5.788 1.381 3.446 119 HH TYR 447 HH TYR 447 -5.046 4.717 3.870 120 H TYR 448 HN TYR 448 0.926 0.447 -0.916 121 HA TYR 448 HA TYR 448 0.098 -2.058 -2.085 122 HB2 TYR 448 HB2 TYR 448 0.863 -0.175 -3.497 123 HB3 TYR 448 HB1 TYR 448 2.452 -0.275 -2.750 124 HD1 TYR 448 HD1 TYR 448 0.011 -2.432 -4.573 125 HD2 TYR 448 HD2 TYR 448 4.097 -1.492 -3.845 126 HE1 TYR 448 HE1 TYR 448 0.685 -4.061 -6.285 127 HE2 TYR 448 HE2 TYR 448 4.782 -3.120 -5.555 128 HH TYR 448 HH TYR 448 3.879 -5.143 -6.636 129 H ASN 449 HN ASN 449 1.029 -3.962 -1.797 130 HA ASN 449 HA ASN 449 3.288 -4.115 0.071 131 HB2 ASN 449 HB2 ASN 449 1.382 -5.041 1.111 132 HB3 ASN 449 HB1 ASN 449 0.873 -5.855 -0.360 133 HD21 ASN 449 HD21 ASN 449 0.667 -7.730 0.880 134 HD22 ASN 449 HD22 ASN 449 2.048 -8.690 1.296 135 H ASN 450 HN ASN 450 5.098 -4.582 -0.932 136 HA ASN 450 HA ASN 450 5.033 -6.335 -3.284 137 HB2 ASN 450 HB2 ASN 450 7.257 -5.430 -3.803 138 HB3 ASN 450 HB1 ASN 450 6.070 -4.142 -3.633 139 HD21 ASN 450 HD21 ASN 450 8.919 -3.950 -3.432 140 HD22 ASN 450 HD22 ASN 450 9.264 -3.359 -1.839 141 H ARG 451 HN ARG 451 5.361 -6.622 -0.082 142 HA ARG 451 HA ARG 451 7.689 -8.274 0.113 143 HB2 ARG 451 HB2 ARG 451 5.449 -7.547 1.933 144 HB3 ARG 451 HB1 ARG 451 6.349 -9.011 2.293 145 HG2 ARG 451 HG2 ARG 451 7.258 -7.185 3.551 146 HG3 ARG 451 HG1 ARG 451 8.430 -7.690 2.335 147 HD2 ARG 451 HD2 ARG 451 7.758 -5.818 0.911 148 HD3 ARG 451 HD1 ARG 451 6.574 -5.320 2.122 149 HE ARG 451 HE ARG 451 8.950 -5.411 3.482 150 HH11 ARG 451 HH11 ARG 451 7.819 -3.714 0.626 151 HH12 ARG 451 HH12 ARG 451 8.889 -2.368 0.861 152 HH21 ARG 451 HH21 ARG 451 10.362 -3.643 3.767 153 HH22 ARG 451 HH22 ARG 451 10.333 -2.327 2.630 154 H THR 452 HN THR 452 4.200 -8.902 -0.010 155 HA THR 452 HA THR 452 4.837 -11.636 -0.889 156 HB THR 452 HB THR 452 2.436 -12.140 -0.078 157 HG1 THR 452 HG1 THR 452 1.527 -10.717 1.284 158 HG21 THR 452 HG21 THR 452 4.446 -13.024 1.004 159 HG22 THR 452 HG22 THR 452 3.223 -12.588 2.198 160 HG23 THR 452 HG23 THR 452 4.611 -11.534 1.930 161 H LEU 453 HN LEU 453 3.881 -8.734 -1.983 162 HA LEU 453 HA LEU 453 3.067 -7.996 -3.954 163 HB2 LEU 453 HB2 LEU 453 2.830 -10.918 -4.668 164 HB3 LEU 453 HB1 LEU 453 2.595 -9.586 -5.784 165 HG LEU 453 HG LEU 453 5.179 -10.190 -4.344 166 HD11 LEU 453 HD11 LEU 453 4.626 -11.914 -5.979 167 HD12 LEU 453 HD12 LEU 453 5.989 -10.933 -6.520 168 HD13 LEU 453 HD13 LEU 453 4.387 -10.676 -7.212 169 HD21 LEU 453 HD21 LEU 453 4.899 -7.823 -4.862 170 HD22 LEU 453 HD22 LEU 453 4.538 -8.224 -6.542 171 HD23 LEU 453 HD23 LEU 453 6.140 -8.551 -5.882 172 H GLU 454 HN GLU 454 1.370 -7.214 -2.617 173 HA GLU 454 HA GLU 454 -1.242 -8.216 -3.396 174 HB2 GLU 454 HB2 GLU 454 -0.732 -9.511 -1.383 175 HB3 GLU 454 HB1 GLU 454 -0.347 -8.037 -0.509 176 HG2 GLU 454 HG2 GLU 454 -2.604 -7.359 -0.472 177 HG3 GLU 454 HG1 GLU 454 -3.064 -8.578 -1.656 178 H SER 455 HN SER 455 -2.772 -6.567 -3.452 179 HA SER 455 HA SER 455 -1.768 -3.910 -2.711 180 HB2 SER 455 HB2 SER 455 -3.719 -3.114 -4.145 181 HB3 SER 455 HB1 SER 455 -2.414 -3.944 -4.991 182 HG SER 455 HG SER 455 -4.491 -5.543 -4.070 183 H THR 456 HN THR 456 -2.436 -3.105 -0.831 184 HA THR 456 HA THR 456 -4.986 -4.076 0.279 185 HB THR 456 HB THR 456 -2.702 -2.914 1.874 186 HG1 THR 456 HG1 THR 456 -3.209 -5.668 1.298 187 HG21 THR 456 HG21 THR 456 -4.838 -2.987 3.021 188 HG22 THR 456 HG22 THR 456 -3.764 -4.214 3.694 189 HG23 THR 456 HG23 THR 456 -5.046 -4.681 2.579 190 H TRP 457 HN TRP 457 -6.565 -2.586 0.495 191 HA TRP 457 HA TRP 457 -5.743 0.244 0.485 192 HB2 TRP 457 HB2 TRP 457 -8.205 -1.045 -0.704 193 HB3 TRP 457 HB1 TRP 457 -7.960 0.701 -0.598 194 HD1 TRP 457 HD1 TRP 457 -6.239 -2.402 -2.172 195 HE1 TRP 457 HE1 TRP 457 -4.948 -1.632 -4.257 196 HE3 TRP 457 HE3 TRP 457 -7.152 2.629 -1.895 197 HZ2 TRP 457 HZ2 TRP 457 -4.368 0.763 -5.586 198 HZ3 TRP 457 HZ3 TRP 457 -6.199 4.087 -3.636 199 HH2 TRP 457 HH2 TRP 457 -4.846 3.168 -5.451 200 H GLU 458 HN GLU 458 -6.946 -2.079 2.462 201 HA GLU 458 HA GLU 458 -8.114 -0.052 4.235 202 HB2 GLU 458 HB2 GLU 458 -9.260 -2.010 5.360 203 HB3 GLU 458 HB1 GLU 458 -9.863 -1.598 3.764 204 HG2 GLU 458 HG2 GLU 458 -7.864 -3.793 4.240 205 HG3 GLU 458 HG1 GLU 458 -9.606 -4.055 4.273 206 H LYS 459 HN LYS 459 -6.858 0.393 5.956 207 HA LYS 459 HA LYS 459 -4.416 -0.977 6.375 208 HB2 LYS 459 HB2 LYS 459 -5.844 1.031 8.107 209 HB3 LYS 459 HB1 LYS 459 -4.220 0.435 8.424 210 HG2 LYS 459 HG2 LYS 459 -3.630 1.251 6.096 211 HG3 LYS 459 HG1 LYS 459 -5.176 2.098 6.121 212 HD2 LYS 459 HD2 LYS 459 -3.428 3.612 6.798 213 HD3 LYS 459 HD1 LYS 459 -4.459 3.259 8.185 214 HE2 LYS 459 HE2 LYS 459 -2.852 1.815 9.139 215 HE3 LYS 459 HE1 LYS 459 -1.914 1.753 7.647 216 HZ1 LYS 459 HZ1 LYS 459 -2.302 4.249 9.198 217 HZ2 LYS 459 HZ2 LYS 459 -1.179 3.952 7.952 218 HZ3 LYS 459 HZ3 LYS 459 -0.998 3.196 9.460 219 HA PRO 460 HA PRO 460 -5.878 -4.541 8.735 220 HB2 PRO 460 HB2 PRO 460 -3.019 -4.341 9.579 221 HB3 PRO 460 HB1 PRO 460 -3.942 -5.759 9.072 222 HG2 PRO 460 HG2 PRO 460 -2.207 -4.573 7.423 223 HG3 PRO 460 HG1 PRO 460 -3.727 -5.262 6.826 224 HD2 PRO 460 HD2 PRO 460 -2.945 -2.422 7.172 225 HD3 PRO 460 HD1 PRO 460 -4.098 -3.164 6.039 Start of MODEL 2 1 H1 SER 433 HT1 SER 433 8.798 -1.293 7.810 2 H2 SER 433 HT2 SER 433 7.959 -2.724 7.467 3 H3 SER 433 HT3 SER 433 7.386 -1.241 6.876 4 HA SER 433 HA SER 433 9.281 -0.993 5.463 5 HB2 SER 433 HB2 SER 433 10.138 -3.684 6.561 6 HB3 SER 433 HB1 SER 433 10.979 -2.749 5.324 7 HG SER 433 HG SER 433 11.845 -1.561 6.825 8 H GLU 434 HN GLU 434 6.913 -3.296 6.165 9 HA GLU 434 HA GLU 434 7.059 -4.534 3.530 10 HB2 GLU 434 HB2 GLU 434 5.199 -5.997 4.456 11 HB3 GLU 434 HB1 GLU 434 6.773 -6.152 5.216 12 HG2 GLU 434 HG2 GLU 434 4.708 -4.333 6.376 13 HG3 GLU 434 HG1 GLU 434 4.653 -6.066 6.684 14 H TRP 435 HN TRP 435 5.277 -2.127 5.225 15 HA TRP 435 HA TRP 435 3.095 -2.283 3.264 16 HB2 TRP 435 HB2 TRP 435 3.145 -0.751 5.873 17 HB3 TRP 435 HB1 TRP 435 1.751 -1.010 4.831 18 HD1 TRP 435 HD1 TRP 435 2.495 -2.036 8.015 19 HE1 TRP 435 HE1 TRP 435 1.841 -4.473 8.562 20 HE3 TRP 435 HE3 TRP 435 2.077 -3.837 3.258 21 HZ2 TRP 435 HZ2 TRP 435 1.247 -6.841 7.144 22 HZ3 TRP 435 HZ3 TRP 435 1.490 -6.195 2.939 23 HH2 TRP 435 HH2 TRP 435 1.078 -7.669 4.828 24 H THR 436 HN THR 436 3.185 -0.826 1.612 25 HA THR 436 HA THR 436 4.834 1.556 1.914 26 HB THR 436 HB THR 436 3.408 0.422 -0.501 27 HG1 THR 436 HG1 THR 436 5.202 -0.813 0.155 28 HG21 THR 436 HG21 THR 436 5.326 2.750 -0.304 29 HG22 THR 436 HG22 THR 436 3.612 2.844 -0.708 30 HG23 THR 436 HG23 THR 436 4.737 2.039 -1.805 31 H GLU 437 HN GLU 437 3.819 3.222 2.884 32 HA GLU 437 HA GLU 437 1.016 3.775 2.304 33 HB2 GLU 437 HB2 GLU 437 2.858 5.563 3.884 34 HB3 GLU 437 HB1 GLU 437 1.112 5.429 3.996 35 HG2 GLU 437 HG2 GLU 437 2.988 3.237 4.823 36 HG3 GLU 437 HG1 GLU 437 2.433 4.500 5.916 37 H ARG 438 HN ARG 438 0.994 4.419 0.128 38 HA ARG 438 HA ARG 438 2.663 6.765 -0.483 39 HB2 ARG 438 HB2 ARG 438 3.557 4.818 -1.642 40 HB3 ARG 438 HB1 ARG 438 1.975 4.464 -2.325 41 HG2 ARG 438 HG2 ARG 438 2.047 6.568 -3.574 42 HG3 ARG 438 HG1 ARG 438 3.641 6.906 -2.899 43 HD2 ARG 438 HD2 ARG 438 2.994 4.464 -4.534 44 HD3 ARG 438 HD1 ARG 438 3.642 5.951 -5.216 45 HE ARG 438 HE ARG 438 5.115 4.533 -3.104 46 HH11 ARG 438 HH11 ARG 438 4.865 5.705 -6.386 47 HH12 ARG 438 HH12 ARG 438 6.549 5.458 -6.750 48 HH21 ARG 438 HH21 ARG 438 7.332 4.138 -3.583 49 HH22 ARG 438 HH22 ARG 438 7.944 4.551 -5.160 50 H LYS 439 HN LYS 439 1.653 8.405 -1.869 51 HA LYS 439 HA LYS 439 -1.244 8.038 -2.137 52 HB2 LYS 439 HB2 LYS 439 -0.719 9.581 -0.299 53 HB3 LYS 439 HB1 LYS 439 0.234 10.569 -1.396 54 HG2 LYS 439 HG2 LYS 439 -1.766 11.083 -2.691 55 HG3 LYS 439 HG1 LYS 439 -2.729 10.078 -1.608 56 HD2 LYS 439 HD2 LYS 439 -1.142 12.493 -0.743 57 HD3 LYS 439 HD1 LYS 439 -2.871 12.507 -1.103 58 HE2 LYS 439 HE2 LYS 439 -3.248 10.869 0.677 59 HE3 LYS 439 HE1 LYS 439 -1.520 10.854 1.032 60 HZ1 LYS 439 HZ1 LYS 439 -1.632 13.143 1.685 61 HZ2 LYS 439 HZ2 LYS 439 -2.813 12.285 2.540 62 HZ3 LYS 439 HZ3 LYS 439 -3.261 13.254 1.223 63 H THR 440 HN THR 440 -1.812 7.985 -4.159 64 HA THR 440 HA THR 440 -0.235 9.320 -6.207 65 HB THR 440 HB THR 440 -1.000 7.092 -6.753 66 HG1 THR 440 HG1 THR 440 -1.005 8.680 -8.460 67 HG21 THR 440 HG21 THR 440 -3.378 6.537 -6.954 68 HG22 THR 440 HG22 THR 440 -3.805 8.135 -6.343 69 HG23 THR 440 HG23 THR 440 -2.965 6.988 -5.300 70 H ALA 441 HN ALA 441 -1.128 10.871 -7.662 71 HA ALA 441 HA ALA 441 -2.555 12.923 -6.360 72 HB1 ALA 441 HB1 ALA 441 -2.469 14.102 -8.475 73 HB2 ALA 441 HB2 ALA 441 -2.037 12.611 -9.313 74 HB3 ALA 441 HB3 ALA 441 -0.922 13.322 -8.146 75 H ASP 442 HN ASP 442 -3.746 10.119 -7.742 76 HA ASP 442 HA ASP 442 -6.251 11.047 -8.721 77 HB2 ASP 442 HB2 ASP 442 -5.247 8.811 -9.239 78 HB3 ASP 442 HB1 ASP 442 -5.566 8.322 -7.580 79 H GLY 443 HN GLY 443 -4.924 10.992 -5.659 80 HA2 GLY 443 HA2 GLY 443 -5.937 11.846 -3.727 81 HA3 GLY 443 HA1 GLY 443 -7.515 11.557 -4.451 82 H LYS 444 HN LYS 444 -5.028 9.127 -4.399 83 HA LYS 444 HA LYS 444 -6.618 7.626 -2.428 84 HB2 LYS 444 HB2 LYS 444 -5.232 6.438 -4.841 85 HB3 LYS 444 HB1 LYS 444 -6.254 5.595 -3.685 86 HG2 LYS 444 HG2 LYS 444 -7.185 7.758 -5.559 87 HG3 LYS 444 HG1 LYS 444 -7.378 6.026 -5.822 88 HD2 LYS 444 HD2 LYS 444 -8.731 5.865 -3.795 89 HD3 LYS 444 HD1 LYS 444 -8.528 7.597 -3.519 90 HE2 LYS 444 HE2 LYS 444 -9.843 6.358 -5.935 91 HE3 LYS 444 HE1 LYS 444 -10.697 7.043 -4.554 92 HZ1 LYS 444 HZ1 LYS 444 -10.578 8.615 -6.376 93 HZ2 LYS 444 HZ2 LYS 444 -8.887 8.528 -6.384 94 HZ3 LYS 444 HZ3 LYS 444 -9.694 9.188 -5.048 95 H THR 445 HN THR 445 -5.420 7.339 -0.661 96 HA THR 445 HA THR 445 -2.550 6.925 -0.871 97 HB THR 445 HB THR 445 -4.248 6.712 1.619 98 HG1 THR 445 HG1 THR 445 -4.619 8.770 0.896 99 HG21 THR 445 HG21 THR 445 -1.972 5.823 1.789 100 HG22 THR 445 HG22 THR 445 -2.150 7.288 2.755 101 HG23 THR 445 HG23 THR 445 -1.324 7.352 1.198 102 H TYR 446 HN TYR 446 -2.069 4.930 -1.688 103 HA TYR 446 HA TYR 446 -3.711 2.690 -0.746 104 HB2 TYR 446 HB2 TYR 446 -3.120 1.489 -2.739 105 HB3 TYR 446 HB1 TYR 446 -3.745 3.066 -3.184 106 HD1 TYR 446 HD1 TYR 446 -2.228 4.775 -4.135 107 HD2 TYR 446 HD2 TYR 446 -0.869 0.848 -3.215 108 HE1 TYR 446 HE1 TYR 446 -0.257 5.123 -5.566 109 HE2 TYR 446 HE2 TYR 446 1.106 1.190 -4.635 110 HH TYR 446 HH TYR 446 1.912 4.290 -5.964 111 H TYR 447 HN TYR 447 -2.757 0.787 -0.076 112 HA TYR 447 HA TYR 447 -0.010 1.191 0.870 113 HB2 TYR 447 HB2 TYR 447 -1.867 -0.740 2.195 114 HB3 TYR 447 HB1 TYR 447 -0.577 0.235 2.897 115 HD1 TYR 447 HD1 TYR 447 -1.012 2.839 2.907 116 HD2 TYR 447 HD2 TYR 447 -4.060 -0.100 2.506 117 HE1 TYR 447 HE1 TYR 447 -2.696 4.495 3.606 118 HE2 TYR 447 HE2 TYR 447 -5.746 1.538 3.206 119 HH TYR 447 HH TYR 447 -5.875 3.622 4.478 120 H TYR 448 HN TYR 448 1.123 0.184 -0.731 121 HA TYR 448 HA TYR 448 0.263 -2.410 -1.661 122 HB2 TYR 448 HB2 TYR 448 1.153 -0.811 -3.281 123 HB3 TYR 448 HB1 TYR 448 2.679 -0.748 -2.406 124 HD1 TYR 448 HD1 TYR 448 0.431 -3.260 -4.030 125 HD2 TYR 448 HD2 TYR 448 4.421 -2.059 -3.172 126 HE1 TYR 448 HE1 TYR 448 1.279 -5.135 -5.376 127 HE2 TYR 448 HE2 TYR 448 5.280 -3.930 -4.516 128 HH TYR 448 HH TYR 448 4.595 -6.059 -5.364 129 H ASN 449 HN ASN 449 1.093 -4.304 -1.145 130 HA ASN 449 HA ASN 449 2.924 -4.494 1.104 131 HB2 ASN 449 HB2 ASN 449 0.818 -5.776 1.101 132 HB3 ASN 449 HB1 ASN 449 1.283 -6.564 -0.397 133 HD21 ASN 449 HD21 ASN 449 0.540 -7.936 1.870 134 HD22 ASN 449 HD22 ASN 449 1.911 -8.815 2.466 135 H ASN 450 HN ASN 450 5.023 -4.749 0.738 136 HA ASN 450 HA ASN 450 5.908 -5.391 -1.971 137 HB2 ASN 450 HB2 ASN 450 6.745 -3.343 -0.794 138 HB3 ASN 450 HB1 ASN 450 7.522 -4.386 0.390 139 HD21 ASN 450 HD21 ASN 450 9.566 -3.629 -0.097 140 HD22 ASN 450 HD22 ASN 450 10.376 -4.016 -1.575 141 H ARG 451 HN ARG 451 5.305 -6.992 0.842 142 HA ARG 451 HA ARG 451 7.553 -8.833 0.484 143 HB2 ARG 451 HB2 ARG 451 5.741 -8.500 2.858 144 HB3 ARG 451 HB1 ARG 451 7.055 -9.662 2.748 145 HG2 ARG 451 HG2 ARG 451 7.406 -6.675 2.557 146 HG3 ARG 451 HG1 ARG 451 7.618 -7.613 4.031 147 HD2 ARG 451 HD2 ARG 451 9.773 -7.195 3.040 148 HD3 ARG 451 HD1 ARG 451 9.400 -8.910 2.900 149 HE ARG 451 HE ARG 451 8.555 -7.829 0.533 150 HH11 ARG 451 HH11 ARG 451 11.599 -7.728 2.263 151 HH12 ARG 451 HH12 ARG 451 12.565 -7.785 0.814 152 HH21 ARG 451 HH21 ARG 451 9.806 -7.894 -1.359 153 HH22 ARG 451 HH22 ARG 451 11.539 -7.884 -1.253 154 H THR 452 HN THR 452 4.137 -8.636 0.174 155 HA THR 452 HA THR 452 4.092 -11.517 -0.453 156 HB THR 452 HB THR 452 1.649 -9.918 0.310 157 HG1 THR 452 HG1 THR 452 3.300 -11.462 2.059 158 HG21 THR 452 HG21 THR 452 0.758 -12.122 0.906 159 HG22 THR 452 HG22 THR 452 2.284 -12.870 0.432 160 HG23 THR 452 HG23 THR 452 1.273 -12.084 -0.780 161 H LEU 453 HN LEU 453 4.216 -8.578 -1.877 162 HA LEU 453 HA LEU 453 3.649 -7.682 -3.897 163 HB2 LEU 453 HB2 LEU 453 3.088 -10.575 -4.581 164 HB3 LEU 453 HB1 LEU 453 3.179 -9.271 -5.751 165 HG LEU 453 HG LEU 453 5.454 -10.232 -4.011 166 HD11 LEU 453 HD11 LEU 453 4.945 -10.551 -6.967 167 HD12 LEU 453 HD12 LEU 453 4.887 -11.830 -5.751 168 HD13 LEU 453 HD13 LEU 453 6.414 -11.030 -6.118 169 HD21 LEU 453 HD21 LEU 453 5.395 -8.146 -6.189 170 HD22 LEU 453 HD22 LEU 453 6.838 -8.729 -5.358 171 HD23 LEU 453 HD23 LEU 453 5.603 -7.841 -4.465 172 H GLU 454 HN GLU 454 1.747 -7.776 -1.851 173 HA GLU 454 HA GLU 454 -0.822 -8.436 -3.104 174 HB2 GLU 454 HB2 GLU 454 -0.378 -9.541 -0.990 175 HB3 GLU 454 HB1 GLU 454 0.033 -8.012 -0.232 176 HG2 GLU 454 HG2 GLU 454 -2.283 -7.284 -0.445 177 HG3 GLU 454 HG1 GLU 454 -2.690 -8.817 -1.214 178 H SER 455 HN SER 455 -2.505 -6.857 -3.127 179 HA SER 455 HA SER 455 -1.578 -4.122 -2.564 180 HB2 SER 455 HB2 SER 455 -3.606 -3.563 -4.133 181 HB3 SER 455 HB1 SER 455 -2.077 -4.098 -4.830 182 HG SER 455 HG SER 455 -2.916 -6.123 -5.124 183 H THR 456 HN THR 456 -2.285 -3.447 -0.648 184 HA THR 456 HA THR 456 -4.941 -4.339 0.266 185 HB THR 456 HB THR 456 -2.620 -3.465 2.003 186 HG1 THR 456 HG1 THR 456 -2.838 -5.957 2.399 187 HG21 THR 456 HG21 THR 456 -4.746 -3.244 3.115 188 HG22 THR 456 HG22 THR 456 -3.912 -4.653 3.767 189 HG23 THR 456 HG23 THR 456 -5.225 -4.863 2.608 190 H TRP 457 HN TRP 457 -6.446 -2.772 0.451 191 HA TRP 457 HA TRP 457 -5.442 -0.000 0.429 192 HB2 TRP 457 HB2 TRP 457 -7.848 -1.205 -0.940 193 HB3 TRP 457 HB1 TRP 457 -7.604 0.538 -0.789 194 HD1 TRP 457 HD1 TRP 457 -5.264 -2.379 -1.881 195 HE1 TRP 457 HE1 TRP 457 -3.999 -1.648 -3.996 196 HE3 TRP 457 HE3 TRP 457 -7.379 2.239 -2.561 197 HZ2 TRP 457 HZ2 TRP 457 -3.890 0.546 -5.701 198 HZ3 TRP 457 HZ3 TRP 457 -6.640 3.584 -4.489 199 HH2 TRP 457 HH2 TRP 457 -4.938 2.750 -6.034 200 H GLU 458 HN GLU 458 -6.723 -2.129 2.434 201 HA GLU 458 HA GLU 458 -8.013 -0.031 4.052 202 HB2 GLU 458 HB2 GLU 458 -8.269 -3.041 4.317 203 HB3 GLU 458 HB1 GLU 458 -9.081 -1.848 5.319 204 HG2 GLU 458 HG2 GLU 458 -9.511 -2.256 2.369 205 HG3 GLU 458 HG1 GLU 458 -10.578 -2.813 3.657 206 H LYS 459 HN LYS 459 -6.858 0.604 5.837 207 HA LYS 459 HA LYS 459 -4.276 -0.540 6.295 208 HB2 LYS 459 HB2 LYS 459 -5.814 1.575 7.781 209 HB3 LYS 459 HB1 LYS 459 -4.207 1.047 8.258 210 HG2 LYS 459 HG2 LYS 459 -3.493 1.639 5.890 211 HG3 LYS 459 HG1 LYS 459 -5.040 2.476 5.764 212 HD2 LYS 459 HD2 LYS 459 -3.330 4.053 6.398 213 HD3 LYS 459 HD1 LYS 459 -4.434 3.819 7.754 214 HE2 LYS 459 HE2 LYS 459 -2.080 3.871 8.464 215 HE3 LYS 459 HE1 LYS 459 -2.856 2.332 8.828 216 HZ1 LYS 459 HZ1 LYS 459 -1.803 1.389 6.863 217 HZ2 LYS 459 HZ2 LYS 459 -0.649 2.005 7.924 218 HZ3 LYS 459 HZ3 LYS 459 -1.046 2.867 6.520 219 HA PRO 460 HA PRO 460 -5.594 -3.643 9.369 220 HB2 PRO 460 HB2 PRO 460 -2.646 -3.830 9.597 221 HB3 PRO 460 HB1 PRO 460 -3.837 -5.111 9.359 222 HG2 PRO 460 HG2 PRO 460 -2.222 -4.295 7.381 223 HG3 PRO 460 HG1 PRO 460 -3.886 -4.823 7.079 224 HD2 PRO 460 HD2 PRO 460 -2.750 -2.073 7.119 225 HD3 PRO 460 HD1 PRO 460 -4.055 -2.757 6.124 Start of MODEL 3 1 H1 SER 433 HT1 SER 433 4.169 -5.072 7.747 2 H2 SER 433 HT2 SER 433 4.521 -5.825 9.220 3 H3 SER 433 HT3 SER 433 5.734 -5.642 8.052 4 HA SER 433 HA SER 433 4.344 -3.403 9.405 5 HB2 SER 433 HB2 SER 433 7.130 -4.458 9.927 6 HB3 SER 433 HB1 SER 433 6.281 -3.189 10.815 7 HG SER 433 HG SER 433 5.603 -4.748 12.040 8 H GLU 434 HN GLU 434 6.111 -4.537 6.788 9 HA GLU 434 HA GLU 434 7.222 -1.891 6.205 10 HB2 GLU 434 HB2 GLU 434 8.464 -3.130 4.380 11 HB3 GLU 434 HB1 GLU 434 8.911 -3.535 6.027 12 HG2 GLU 434 HG2 GLU 434 6.990 -5.181 4.402 13 HG3 GLU 434 HG1 GLU 434 8.728 -5.464 4.414 14 H TRP 435 HN TRP 435 5.927 -0.627 5.019 15 HA TRP 435 HA TRP 435 4.285 -1.850 2.918 16 HB2 TRP 435 HB2 TRP 435 3.277 0.157 4.949 17 HB3 TRP 435 HB1 TRP 435 2.347 -0.534 3.626 18 HD1 TRP 435 HD1 TRP 435 2.978 -0.992 7.210 19 HE1 TRP 435 HE1 TRP 435 2.067 -3.265 8.021 20 HE3 TRP 435 HE3 TRP 435 2.241 -3.214 2.674 21 HZ2 TRP 435 HZ2 TRP 435 1.177 -5.686 6.870 22 HZ3 TRP 435 HZ3 TRP 435 1.372 -5.514 2.616 23 HH2 TRP 435 HH2 TRP 435 0.838 -6.718 4.662 24 H THR 436 HN THR 436 4.069 -0.604 1.095 25 HA THR 436 HA THR 436 5.463 1.950 1.034 26 HB THR 436 HB THR 436 4.110 0.371 -1.170 27 HG1 THR 436 HG1 THR 436 6.827 0.779 -0.412 28 HG21 THR 436 HG21 THR 436 5.115 1.984 -2.730 29 HG22 THR 436 HG22 THR 436 5.717 2.931 -1.370 30 HG23 THR 436 HG23 THR 436 3.979 2.780 -1.639 31 H GLU 437 HN GLU 437 4.134 3.259 2.275 32 HA GLU 437 HA GLU 437 1.365 3.619 1.436 33 HB2 GLU 437 HB2 GLU 437 2.843 5.206 3.540 34 HB3 GLU 437 HB1 GLU 437 1.106 5.045 3.341 35 HG2 GLU 437 HG2 GLU 437 1.433 2.576 3.851 36 HG3 GLU 437 HG1 GLU 437 3.059 3.015 4.365 37 H ARG 438 HN ARG 438 1.264 4.664 -0.455 38 HA ARG 438 HA ARG 438 2.756 7.187 -0.696 39 HB2 ARG 438 HB2 ARG 438 3.866 5.379 -1.990 40 HB3 ARG 438 HB1 ARG 438 2.374 5.123 -2.881 41 HG2 ARG 438 HG2 ARG 438 2.531 7.397 -3.780 42 HG3 ARG 438 HG1 ARG 438 4.046 7.627 -2.905 43 HD2 ARG 438 HD2 ARG 438 3.514 5.573 -5.051 44 HD3 ARG 438 HD1 ARG 438 4.476 7.043 -5.228 45 HE ARG 438 HE ARG 438 5.561 5.583 -3.119 46 HH11 ARG 438 HH11 ARG 438 5.173 5.326 -6.589 47 HH12 ARG 438 HH12 ARG 438 6.530 4.255 -6.789 48 HH21 ARG 438 HH21 ARG 438 7.343 4.200 -3.372 49 HH22 ARG 438 HH22 ARG 438 7.768 3.607 -4.949 50 H LYS 439 HN LYS 439 1.635 8.834 -2.004 51 HA LYS 439 HA LYS 439 -1.209 8.222 -2.249 52 HB2 LYS 439 HB2 LYS 439 -1.592 10.652 -2.162 53 HB3 LYS 439 HB1 LYS 439 -0.802 10.040 -0.719 54 HG2 LYS 439 HG2 LYS 439 1.331 10.888 -1.490 55 HG3 LYS 439 HG1 LYS 439 0.588 11.436 -2.995 56 HD2 LYS 439 HD2 LYS 439 -0.853 12.956 -1.738 57 HD3 LYS 439 HD1 LYS 439 -0.129 12.399 -0.227 58 HE2 LYS 439 HE2 LYS 439 1.351 13.758 -2.477 59 HE3 LYS 439 HE1 LYS 439 0.808 14.542 -0.995 60 HZ1 LYS 439 HZ1 LYS 439 3.124 13.939 -0.836 61 HZ2 LYS 439 HZ2 LYS 439 2.768 12.315 -1.173 62 HZ3 LYS 439 HZ3 LYS 439 2.218 13.022 0.268 63 H THR 440 HN THR 440 -1.970 7.859 -4.143 64 HA THR 440 HA THR 440 -0.647 8.900 -6.511 65 HB THR 440 HB THR 440 -1.443 6.608 -6.660 66 HG1 THR 440 HG1 THR 440 -2.507 6.815 -8.599 67 HG21 THR 440 HG21 THR 440 -3.833 6.057 -6.561 68 HG22 THR 440 HG22 THR 440 -4.199 7.726 -6.125 69 HG23 THR 440 HG23 THR 440 -3.260 6.715 -5.028 70 H ALA 441 HN ALA 441 -1.757 10.191 -8.062 71 HA ALA 441 HA ALA 441 -2.914 12.455 -6.852 72 HB1 ALA 441 HB1 ALA 441 -2.777 11.773 -9.782 73 HB2 ALA 441 HB2 ALA 441 -1.501 12.553 -8.848 74 HB3 ALA 441 HB3 ALA 441 -3.043 13.372 -9.088 75 H ASP 442 HN ASP 442 -4.384 9.584 -7.613 76 HA ASP 442 HA ASP 442 -6.940 10.596 -8.436 77 HB2 ASP 442 HB2 ASP 442 -6.072 8.264 -8.906 78 HB3 ASP 442 HB1 ASP 442 -6.339 7.895 -7.206 79 H GLY 443 HN GLY 443 -5.275 10.811 -5.612 80 HA2 GLY 443 HA2 GLY 443 -6.002 11.902 -3.686 81 HA3 GLY 443 HA1 GLY 443 -7.666 11.625 -4.178 82 H LYS 444 HN LYS 444 -5.192 9.152 -3.957 83 HA LYS 444 HA LYS 444 -6.520 8.064 -1.587 84 HB2 LYS 444 HB2 LYS 444 -6.098 6.556 -4.177 85 HB3 LYS 444 HB1 LYS 444 -6.578 5.809 -2.657 86 HG2 LYS 444 HG2 LYS 444 -8.637 7.058 -2.641 87 HG3 LYS 444 HG1 LYS 444 -8.148 7.947 -4.082 88 HD2 LYS 444 HD2 LYS 444 -8.139 5.850 -5.356 89 HD3 LYS 444 HD1 LYS 444 -8.661 4.978 -3.912 90 HE2 LYS 444 HE2 LYS 444 -10.545 5.468 -5.407 91 HE3 LYS 444 HE1 LYS 444 -10.721 6.273 -3.850 92 HZ1 LYS 444 HZ1 LYS 444 -9.736 7.545 -6.351 93 HZ2 LYS 444 HZ2 LYS 444 -9.936 8.322 -4.859 94 HZ3 LYS 444 HZ3 LYS 444 -11.290 7.740 -5.690 95 H THR 445 HN THR 445 -5.132 7.256 -0.153 96 HA THR 445 HA THR 445 -2.334 7.065 -0.869 97 HB THR 445 HB THR 445 -3.498 6.503 1.846 98 HG1 THR 445 HG1 THR 445 -3.090 8.967 0.521 99 HG21 THR 445 HG21 THR 445 -0.814 7.473 0.858 100 HG22 THR 445 HG22 THR 445 -1.170 5.933 1.644 101 HG23 THR 445 HG23 THR 445 -1.281 7.440 2.556 102 H TYR 446 HN TYR 446 -1.917 5.198 -1.968 103 HA TYR 446 HA TYR 446 -3.366 2.806 -1.192 104 HB2 TYR 446 HB2 TYR 446 -2.679 1.828 -3.230 105 HB3 TYR 446 HB1 TYR 446 -3.096 3.486 -3.611 106 HD1 TYR 446 HD1 TYR 446 -1.163 5.156 -3.897 107 HD2 TYR 446 HD2 TYR 446 -0.614 0.942 -3.795 108 HE1 TYR 446 HE1 TYR 446 1.010 5.418 -5.017 109 HE2 TYR 446 HE2 TYR 446 1.556 1.183 -4.906 110 HH TYR 446 HH TYR 446 2.701 2.842 -6.386 111 H TYR 447 HN TYR 447 -2.419 0.987 -0.345 112 HA TYR 447 HA TYR 447 0.368 1.323 0.505 113 HB2 TYR 447 HB2 TYR 447 -1.507 -0.618 1.812 114 HB3 TYR 447 HB1 TYR 447 -0.138 0.247 2.506 115 HD1 TYR 447 HD1 TYR 447 -0.430 2.838 2.744 116 HD2 TYR 447 HD2 TYR 447 -3.669 0.130 2.234 117 HE1 TYR 447 HE1 TYR 447 -1.970 4.517 3.647 118 HE2 TYR 447 HE2 TYR 447 -5.221 1.811 3.136 119 HH TYR 447 HH TYR 447 -5.222 3.802 4.481 120 H TYR 448 HN TYR 448 1.494 0.288 -1.085 121 HA TYR 448 HA TYR 448 0.535 -2.226 -2.105 122 HB2 TYR 448 HB2 TYR 448 1.600 -0.642 -3.635 123 HB3 TYR 448 HB1 TYR 448 3.089 -0.711 -2.694 124 HD1 TYR 448 HD1 TYR 448 0.749 -2.960 -4.545 125 HD2 TYR 448 HD2 TYR 448 4.763 -2.182 -3.363 126 HE1 TYR 448 HE1 TYR 448 1.512 -4.865 -5.902 127 HE2 TYR 448 HE2 TYR 448 5.535 -4.087 -4.715 128 HH TYR 448 HH TYR 448 4.658 -6.154 -5.650 129 H ASN 449 HN ASN 449 1.091 -4.164 -1.422 130 HA ASN 449 HA ASN 449 2.982 -4.485 0.756 131 HB2 ASN 449 HB2 ASN 449 0.744 -5.487 0.928 132 HB3 ASN 449 HB1 ASN 449 1.007 -6.376 -0.563 133 HD21 ASN 449 HD21 ASN 449 0.291 -7.369 2.021 134 HD22 ASN 449 HD22 ASN 449 1.531 -8.477 2.497 135 H ASN 450 HN ASN 450 5.036 -4.877 0.242 136 HA ASN 450 HA ASN 450 5.669 -5.920 -2.413 137 HB2 ASN 450 HB2 ASN 450 6.726 -3.800 -1.492 138 HB3 ASN 450 HB1 ASN 450 7.588 -4.822 -0.349 139 HD21 ASN 450 HD21 ASN 450 9.586 -4.200 -1.187 140 HD22 ASN 450 HD22 ASN 450 10.152 -4.789 -2.716 141 H ARG 451 HN ARG 451 5.044 -7.121 0.524 142 HA ARG 451 HA ARG 451 7.153 -9.080 0.729 143 HB2 ARG 451 HB2 ARG 451 4.473 -9.196 2.110 144 HB3 ARG 451 HB1 ARG 451 5.969 -9.971 2.602 145 HG2 ARG 451 HG2 ARG 451 6.928 -7.746 3.062 146 HG3 ARG 451 HG1 ARG 451 5.372 -7.023 2.653 147 HD2 ARG 451 HD2 ARG 451 5.545 -7.248 5.053 148 HD3 ARG 451 HD1 ARG 451 4.318 -8.357 4.444 149 HE ARG 451 HE ARG 451 6.960 -9.500 4.743 150 HH11 ARG 451 HH11 ARG 451 3.836 -8.937 6.245 151 HH12 ARG 451 HH12 ARG 451 4.025 -10.211 7.409 152 HH21 ARG 451 HH21 ARG 451 7.207 -11.168 6.269 153 HH22 ARG 451 HH22 ARG 451 5.941 -11.492 7.416 154 H THR 452 HN THR 452 3.665 -9.208 0.065 155 HA THR 452 HA THR 452 4.066 -11.815 -1.236 156 HB THR 452 HB THR 452 1.599 -12.114 -0.868 157 HG1 THR 452 HG1 THR 452 0.493 -10.527 -0.015 158 HG21 THR 452 HG21 THR 452 3.207 -13.174 0.613 159 HG22 THR 452 HG22 THR 452 1.818 -12.608 1.542 160 HG23 THR 452 HG23 THR 452 3.330 -11.699 1.571 161 H LEU 453 HN LEU 453 3.773 -8.678 -2.064 162 HA LEU 453 HA LEU 453 3.281 -7.565 -3.982 163 HB2 LEU 453 HB2 LEU 453 2.889 -10.375 -4.985 164 HB3 LEU 453 HB1 LEU 453 2.527 -8.993 -5.999 165 HG LEU 453 HG LEU 453 4.907 -8.243 -5.700 166 HD11 LEU 453 HD11 LEU 453 5.254 -10.989 -4.504 167 HD12 LEU 453 HD12 LEU 453 5.430 -9.457 -3.649 168 HD13 LEU 453 HD13 LEU 453 6.552 -9.878 -4.944 169 HD21 LEU 453 HD21 LEU 453 4.163 -9.399 -7.708 170 HD22 LEU 453 HD22 LEU 453 4.478 -10.955 -6.942 171 HD23 LEU 453 HD23 LEU 453 5.814 -9.859 -7.291 172 H GLU 454 HN GLU 454 1.434 -7.910 -1.922 173 HA GLU 454 HA GLU 454 -1.192 -8.262 -3.129 174 HB2 GLU 454 HB2 GLU 454 -0.877 -9.234 -0.936 175 HB3 GLU 454 HB1 GLU 454 -0.258 -7.718 -0.300 176 HG2 GLU 454 HG2 GLU 454 -2.480 -6.704 -0.638 177 HG3 GLU 454 HG1 GLU 454 -3.081 -8.265 -1.188 178 H SER 455 HN SER 455 -2.656 -6.567 -3.450 179 HA SER 455 HA SER 455 -1.601 -3.877 -2.996 180 HB2 SER 455 HB2 SER 455 -3.550 -3.106 -4.314 181 HB3 SER 455 HB1 SER 455 -2.589 -4.294 -5.193 182 HG SER 455 HG SER 455 -4.809 -5.101 -3.648 183 H THR 456 HN THR 456 -1.931 -3.071 -1.032 184 HA THR 456 HA THR 456 -4.165 -4.089 0.564 185 HB THR 456 HB THR 456 -1.734 -2.533 1.470 186 HG1 THR 456 HG1 THR 456 -2.154 -5.355 1.643 187 HG21 THR 456 HG21 THR 456 -2.307 -3.339 3.691 188 HG22 THR 456 HG22 THR 456 -3.677 -4.237 3.041 189 HG23 THR 456 HG23 THR 456 -3.679 -2.475 3.000 190 H TRP 457 HN TRP 457 -5.906 -2.821 0.733 191 HA TRP 457 HA TRP 457 -5.484 0.092 0.627 192 HB2 TRP 457 HB2 TRP 457 -7.788 -1.522 -0.489 193 HB3 TRP 457 HB1 TRP 457 -7.746 0.245 -0.430 194 HD1 TRP 457 HD1 TRP 457 -5.818 -2.701 -2.009 195 HE1 TRP 457 HE1 TRP 457 -4.565 -1.844 -4.082 196 HE3 TRP 457 HE3 TRP 457 -7.025 2.251 -1.699 197 HZ2 TRP 457 HZ2 TRP 457 -4.115 0.589 -5.393 198 HZ3 TRP 457 HZ3 TRP 457 -6.165 3.779 -3.428 199 HH2 TRP 457 HH2 TRP 457 -4.752 2.961 -5.247 200 H GLU 458 HN GLU 458 -6.025 -2.232 2.710 201 HA GLU 458 HA GLU 458 -7.688 -0.546 4.453 202 HB2 GLU 458 HB2 GLU 458 -7.288 -3.551 4.557 203 HB3 GLU 458 HB1 GLU 458 -8.271 -2.608 5.668 204 HG2 GLU 458 HG2 GLU 458 -8.799 -2.787 2.714 205 HG3 GLU 458 HG1 GLU 458 -9.533 -3.851 3.912 206 H LYS 459 HN LYS 459 -6.498 0.352 6.067 207 HA LYS 459 HA LYS 459 -3.727 -0.143 6.267 208 HB2 LYS 459 HB2 LYS 459 -5.618 1.454 7.976 209 HB3 LYS 459 HB1 LYS 459 -3.906 1.317 8.355 210 HG2 LYS 459 HG2 LYS 459 -3.393 2.215 6.098 211 HG3 LYS 459 HG1 LYS 459 -5.118 2.473 5.857 212 HD2 LYS 459 HD2 LYS 459 -4.013 4.527 6.566 213 HD3 LYS 459 HD1 LYS 459 -5.168 3.980 7.784 214 HE2 LYS 459 HE2 LYS 459 -3.171 4.687 8.902 215 HE3 LYS 459 HE1 LYS 459 -3.276 2.932 9.012 216 HZ1 LYS 459 HZ1 LYS 459 -1.505 4.535 7.254 217 HZ2 LYS 459 HZ2 LYS 459 -1.742 2.876 7.041 218 HZ3 LYS 459 HZ3 LYS 459 -1.057 3.449 8.476 219 HA PRO 460 HA PRO 460 -3.983 -3.499 9.240 220 HB2 PRO 460 HB2 PRO 460 -1.461 -4.362 8.940 221 HB3 PRO 460 HB1 PRO 460 -2.700 -4.682 7.719 222 HG2 PRO 460 HG2 PRO 460 -0.529 -2.629 7.726 223 HG3 PRO 460 HG1 PRO 460 -1.128 -3.621 6.385 224 HD2 PRO 460 HD2 PRO 460 -1.843 -0.992 6.842 225 HD3 PRO 460 HD1 PRO 460 -2.800 -2.154 5.903 Start of MODEL 4 1 H1 SER 433 HT1 SER 433 7.343 -3.077 8.109 2 H2 SER 433 HT2 SER 433 8.449 -2.238 9.076 3 H3 SER 433 HT3 SER 433 8.986 -3.051 7.690 4 HA SER 433 HA SER 433 7.146 -0.728 7.704 5 HB2 SER 433 HB2 SER 433 10.058 -0.898 6.866 6 HB3 SER 433 HB1 SER 433 9.047 0.550 6.881 7 HG SER 433 HG SER 433 10.563 -0.299 8.820 8 H GLU 434 HN GLU 434 7.038 -3.444 6.404 9 HA GLU 434 HA GLU 434 7.890 -3.084 3.679 10 HB2 GLU 434 HB2 GLU 434 6.836 -5.352 3.375 11 HB3 GLU 434 HB1 GLU 434 8.133 -5.263 4.555 12 HG2 GLU 434 HG2 GLU 434 5.292 -5.018 5.425 13 HG3 GLU 434 HG1 GLU 434 6.003 -6.602 5.114 14 H TRP 435 HN TRP 435 5.162 -2.113 5.337 15 HA TRP 435 HA TRP 435 3.366 -2.445 3.070 16 HB2 TRP 435 HB2 TRP 435 2.807 -0.986 5.659 17 HB3 TRP 435 HB1 TRP 435 1.632 -1.580 4.492 18 HD1 TRP 435 HD1 TRP 435 3.101 -2.446 7.699 19 HE1 TRP 435 HE1 TRP 435 2.673 -4.905 8.313 20 HE3 TRP 435 HE3 TRP 435 1.625 -4.172 3.124 21 HZ2 TRP 435 HZ2 TRP 435 1.844 -7.275 7.025 22 HZ3 TRP 435 HZ3 TRP 435 1.071 -6.561 2.890 23 HH2 TRP 435 HH2 TRP 435 1.157 -8.073 4.797 24 H THR 436 HN THR 436 3.478 -0.963 1.437 25 HA THR 436 HA THR 436 4.714 1.612 1.969 26 HB THR 436 HB THR 436 3.846 0.343 -0.633 27 HG1 THR 436 HG1 THR 436 5.682 -0.657 -0.316 28 HG21 THR 436 HG21 THR 436 5.146 2.147 -1.719 29 HG22 THR 436 HG22 THR 436 5.365 2.917 -0.146 30 HG23 THR 436 HG23 THR 436 3.747 2.769 -0.840 31 H GLU 437 HN GLU 437 3.399 3.142 2.735 32 HA GLU 437 HA GLU 437 0.718 3.425 1.632 33 HB2 GLU 437 HB2 GLU 437 2.050 5.232 3.652 34 HB3 GLU 437 HB1 GLU 437 0.333 5.098 3.306 35 HG2 GLU 437 HG2 GLU 437 0.381 2.794 4.228 36 HG3 GLU 437 HG1 GLU 437 2.067 3.042 4.656 37 H ARG 438 HN ARG 438 1.094 4.044 -0.469 38 HA ARG 438 HA ARG 438 2.770 6.408 -0.852 39 HB2 ARG 438 HB2 ARG 438 3.418 4.454 -2.159 40 HB3 ARG 438 HB1 ARG 438 1.813 4.382 -2.878 41 HG2 ARG 438 HG2 ARG 438 2.166 6.499 -3.982 42 HG3 ARG 438 HG1 ARG 438 3.726 6.689 -3.182 43 HD2 ARG 438 HD2 ARG 438 3.004 4.482 -5.106 44 HD3 ARG 438 HD1 ARG 438 3.946 5.917 -5.509 45 HE ARG 438 HE ARG 438 5.468 5.010 -3.611 46 HH11 ARG 438 HH11 ARG 438 3.696 3.077 -5.940 47 HH12 ARG 438 HH12 ARG 438 4.882 1.804 -5.979 48 HH21 ARG 438 HH21 ARG 438 7.029 3.349 -3.660 49 HH22 ARG 438 HH22 ARG 438 6.769 1.943 -4.660 50 H LYS 439 HN LYS 439 1.690 8.403 -1.451 51 HA LYS 439 HA LYS 439 -1.179 8.215 -1.843 52 HB2 LYS 439 HB2 LYS 439 -0.992 10.747 -1.614 53 HB3 LYS 439 HB1 LYS 439 -0.599 9.794 -0.188 54 HG2 LYS 439 HG2 LYS 439 1.798 9.997 -0.773 55 HG3 LYS 439 HG1 LYS 439 1.345 11.061 -2.103 56 HD2 LYS 439 HD2 LYS 439 0.477 12.692 -0.593 57 HD3 LYS 439 HD1 LYS 439 0.651 11.590 0.776 58 HE2 LYS 439 HE2 LYS 439 2.912 12.683 -0.892 59 HE3 LYS 439 HE1 LYS 439 2.445 13.273 0.704 60 HZ1 LYS 439 HZ1 LYS 439 2.963 11.107 1.628 61 HZ2 LYS 439 HZ2 LYS 439 4.317 11.735 0.822 62 HZ3 LYS 439 HZ3 LYS 439 3.387 10.517 0.096 63 H THR 440 HN THR 440 -1.825 7.966 -3.879 64 HA THR 440 HA THR 440 -0.234 9.108 -6.027 65 HB THR 440 HB THR 440 -1.250 6.781 -6.186 66 HG1 THR 440 HG1 THR 440 -2.244 8.150 -8.393 67 HG21 THR 440 HG21 THR 440 -3.569 6.638 -6.982 68 HG22 THR 440 HG22 THR 440 -3.770 8.367 -6.696 69 HG23 THR 440 HG23 THR 440 -3.486 7.275 -5.340 70 H ALA 441 HN ALA 441 -1.110 10.485 -7.630 71 HA ALA 441 HA ALA 441 -2.214 12.780 -6.438 72 HB1 ALA 441 HB1 ALA 441 -1.835 12.209 -9.369 73 HB2 ALA 441 HB2 ALA 441 -0.596 12.828 -8.276 74 HB3 ALA 441 HB3 ALA 441 -2.032 13.795 -8.621 75 H ASP 442 HN ASP 442 -3.807 10.084 -7.666 76 HA ASP 442 HA ASP 442 -6.183 11.295 -8.645 77 HB2 ASP 442 HB2 ASP 442 -5.446 8.893 -9.009 78 HB3 ASP 442 HB1 ASP 442 -5.948 8.570 -7.352 79 H GLY 443 HN GLY 443 -4.823 11.222 -5.610 80 HA2 GLY 443 HA2 GLY 443 -5.678 12.371 -3.759 81 HA3 GLY 443 HA1 GLY 443 -7.291 12.236 -4.442 82 H LYS 444 HN LYS 444 -5.159 9.489 -4.166 83 HA LYS 444 HA LYS 444 -6.364 8.656 -1.672 84 HB2 LYS 444 HB2 LYS 444 -7.087 6.454 -2.585 85 HB3 LYS 444 HB1 LYS 444 -8.041 7.809 -3.155 86 HG2 LYS 444 HG2 LYS 444 -7.146 7.681 -5.304 87 HG3 LYS 444 HG1 LYS 444 -5.777 6.701 -4.770 88 HD2 LYS 444 HD2 LYS 444 -7.205 4.818 -4.358 89 HD3 LYS 444 HD1 LYS 444 -8.648 5.781 -4.663 90 HE2 LYS 444 HE2 LYS 444 -6.562 5.466 -6.780 91 HE3 LYS 444 HE1 LYS 444 -7.749 4.193 -6.504 92 HZ1 LYS 444 HZ1 LYS 444 -8.255 6.999 -7.332 93 HZ2 LYS 444 HZ2 LYS 444 -9.480 5.980 -6.755 94 HZ3 LYS 444 HZ3 LYS 444 -8.641 5.574 -8.167 95 H THR 445 HN THR 445 -5.203 7.107 -0.584 96 HA THR 445 HA THR 445 -2.540 6.580 -1.669 97 HB THR 445 HB THR 445 -2.706 7.613 0.590 98 HG1 THR 445 HG1 THR 445 -1.160 6.278 1.504 99 HG21 THR 445 HG21 THR 445 -3.452 6.265 2.486 100 HG22 THR 445 HG22 THR 445 -3.937 4.974 1.388 101 HG23 THR 445 HG23 THR 445 -4.764 6.531 1.341 102 H TYR 446 HN TYR 446 -1.723 4.496 -1.856 103 HA TYR 446 HA TYR 446 -3.666 2.344 -1.394 104 HB2 TYR 446 HB2 TYR 446 -2.925 1.198 -3.401 105 HB3 TYR 446 HB1 TYR 446 -3.535 2.790 -3.794 106 HD1 TYR 446 HD1 TYR 446 -1.859 4.625 -4.354 107 HD2 TYR 446 HD2 TYR 446 -0.779 0.523 -4.019 108 HE1 TYR 446 HE1 TYR 446 0.175 5.055 -5.670 109 HE2 TYR 446 HE2 TYR 446 1.258 0.947 -5.322 110 HH TYR 446 HH TYR 446 2.016 2.599 -7.040 111 H TYR 447 HN TYR 447 -2.890 0.547 -0.354 112 HA TYR 447 HA TYR 447 -0.144 0.786 0.581 113 HB2 TYR 447 HB2 TYR 447 -2.170 -1.237 1.541 114 HB3 TYR 447 HB1 TYR 447 -0.741 -0.636 2.382 115 HD1 TYR 447 HD1 TYR 447 -0.805 2.078 2.550 116 HD2 TYR 447 HD2 TYR 447 -4.184 -0.466 2.401 117 HE1 TYR 447 HE1 TYR 447 -2.140 3.835 3.613 118 HE2 TYR 447 HE2 TYR 447 -5.548 1.280 3.477 119 HH TYR 447 HH TYR 447 -4.522 4.498 3.750 120 H TYR 448 HN TYR 448 0.906 0.152 -1.278 121 HA TYR 448 HA TYR 448 0.538 -2.557 -2.239 122 HB2 TYR 448 HB2 TYR 448 1.075 -0.772 -3.845 123 HB3 TYR 448 HB1 TYR 448 2.584 -0.454 -2.997 124 HD1 TYR 448 HD1 TYR 448 0.771 -3.051 -4.944 125 HD2 TYR 448 HD2 TYR 448 4.533 -1.654 -3.529 126 HE1 TYR 448 HE1 TYR 448 1.913 -4.703 -6.362 127 HE2 TYR 448 HE2 TYR 448 5.686 -3.299 -4.948 128 HH TYR 448 HH TYR 448 5.149 -5.510 -6.019 129 H ASN 449 HN ASN 449 1.567 -4.259 -1.445 130 HA ASN 449 HA ASN 449 3.805 -3.819 0.409 131 HB2 ASN 449 HB2 ASN 449 2.020 -4.885 1.529 132 HB3 ASN 449 HB1 ASN 449 1.700 -5.954 0.169 133 HD21 ASN 449 HD21 ASN 449 3.989 -5.236 2.741 134 HD22 ASN 449 HD22 ASN 449 4.624 -6.841 2.850 135 H ASN 450 HN ASN 450 5.693 -4.984 0.232 136 HA ASN 450 HA ASN 450 6.123 -6.253 -2.389 137 HB2 ASN 450 HB2 ASN 450 7.440 -4.164 -1.765 138 HB3 ASN 450 HB1 ASN 450 8.244 -5.144 -0.543 139 HD21 ASN 450 HD21 ASN 450 10.259 -4.940 -1.479 140 HD22 ASN 450 HD22 ASN 450 10.687 -5.701 -2.972 141 H ARG 451 HN ARG 451 5.364 -7.194 0.567 142 HA ARG 451 HA ARG 451 7.320 -9.259 1.012 143 HB2 ARG 451 HB2 ARG 451 4.640 -8.714 2.253 144 HB3 ARG 451 HB1 ARG 451 5.604 -10.123 2.664 145 HG2 ARG 451 HG2 ARG 451 6.537 -7.286 2.965 146 HG3 ARG 451 HG1 ARG 451 5.808 -8.243 4.253 147 HD2 ARG 451 HD2 ARG 451 7.624 -9.927 3.914 148 HD3 ARG 451 HD1 ARG 451 8.390 -8.788 2.806 149 HE ARG 451 HE ARG 451 7.789 -7.678 5.397 150 HH11 ARG 451 HH11 ARG 451 10.150 -9.458 3.527 151 HH12 ARG 451 HH12 ARG 451 11.481 -8.988 4.534 152 HH21 ARG 451 HH21 ARG 451 9.513 -7.053 6.707 153 HH22 ARG 451 HH22 ARG 451 11.122 -7.600 6.345 154 H THR 452 HN THR 452 3.844 -9.382 0.319 155 HA THR 452 HA THR 452 4.251 -11.972 -1.007 156 HB THR 452 HB THR 452 1.685 -12.081 -0.714 157 HG1 THR 452 HG1 THR 452 0.779 -10.629 0.618 158 HG21 THR 452 HG21 THR 452 1.904 -12.905 1.590 159 HG22 THR 452 HG22 THR 452 3.482 -12.132 1.715 160 HG23 THR 452 HG23 THR 452 3.238 -13.459 0.580 161 H LEU 453 HN LEU 453 4.096 -8.843 -1.749 162 HA LEU 453 HA LEU 453 3.512 -7.557 -3.511 163 HB2 LEU 453 HB2 LEU 453 3.110 -10.201 -4.912 164 HB3 LEU 453 HB1 LEU 453 3.138 -8.635 -5.701 165 HG LEU 453 HG LEU 453 5.456 -9.888 -4.225 166 HD11 LEU 453 HD11 LEU 453 4.993 -11.047 -6.301 167 HD12 LEU 453 HD12 LEU 453 6.460 -10.081 -6.458 168 HD13 LEU 453 HD13 LEU 453 4.951 -9.515 -7.173 169 HD21 LEU 453 HD21 LEU 453 6.757 -8.035 -5.173 170 HD22 LEU 453 HD22 LEU 453 5.500 -7.462 -4.076 171 HD23 LEU 453 HD23 LEU 453 5.274 -7.334 -5.821 172 H GLU 454 HN GLU 454 1.735 -7.190 -1.966 173 HA GLU 454 HA GLU 454 -0.867 -8.038 -3.056 174 HB2 GLU 454 HB2 GLU 454 -0.295 -9.131 -0.894 175 HB3 GLU 454 HB1 GLU 454 -0.147 -7.544 -0.155 176 HG2 GLU 454 HG2 GLU 454 -2.534 -7.129 -0.676 177 HG3 GLU 454 HG1 GLU 454 -2.640 -8.776 -1.294 178 H SER 455 HN SER 455 -2.388 -6.436 -3.315 179 HA SER 455 HA SER 455 -1.586 -3.731 -2.500 180 HB2 SER 455 HB2 SER 455 -2.016 -4.118 -4.937 181 HB3 SER 455 HB1 SER 455 -3.688 -4.515 -4.539 182 HG SER 455 HG SER 455 -3.013 -2.173 -3.403 183 H THR 456 HN THR 456 -2.349 -3.439 -0.508 184 HA THR 456 HA THR 456 -5.019 -4.430 0.207 185 HB THR 456 HB THR 456 -3.088 -3.273 2.184 186 HG1 THR 456 HG1 THR 456 -2.872 -6.015 1.594 187 HG21 THR 456 HG21 THR 456 -5.276 -3.990 2.979 188 HG22 THR 456 HG22 THR 456 -4.025 -5.056 3.616 189 HG23 THR 456 HG23 THR 456 -5.034 -5.584 2.270 190 H TRP 457 HN TRP 457 -6.594 -2.989 1.057 191 HA TRP 457 HA TRP 457 -5.893 -0.142 0.706 192 HB2 TRP 457 HB2 TRP 457 -8.369 -1.588 -0.235 193 HB3 TRP 457 HB1 TRP 457 -8.218 0.172 -0.214 194 HD1 TRP 457 HD1 TRP 457 -6.617 -2.919 -1.865 195 HE1 TRP 457 HE1 TRP 457 -5.432 -2.177 -4.022 196 HE3 TRP 457 HE3 TRP 457 -7.368 2.118 -1.497 197 HZ2 TRP 457 HZ2 TRP 457 -4.859 0.238 -5.375 198 HZ3 TRP 457 HZ3 TRP 457 -6.491 3.575 -3.272 199 HH2 TRP 457 HH2 TRP 457 -5.276 2.655 -5.180 200 H GLU 458 HN GLU 458 -6.852 -2.292 2.989 201 HA GLU 458 HA GLU 458 -8.041 -0.124 4.568 202 HB2 GLU 458 HB2 GLU 458 -9.089 -1.933 5.951 203 HB3 GLU 458 HB1 GLU 458 -9.696 -1.840 4.303 204 HG2 GLU 458 HG2 GLU 458 -8.043 -3.691 3.758 205 HG3 GLU 458 HG1 GLU 458 -7.852 -3.880 5.500 206 H LYS 459 HN LYS 459 -7.083 0.326 6.548 207 HA LYS 459 HA LYS 459 -4.370 -0.661 6.775 208 HB2 LYS 459 HB2 LYS 459 -5.893 1.427 8.335 209 HB3 LYS 459 HB1 LYS 459 -4.221 0.991 8.669 210 HG2 LYS 459 HG2 LYS 459 -3.622 1.662 6.377 211 HG3 LYS 459 HG1 LYS 459 -5.292 2.154 6.110 212 HD2 LYS 459 HD2 LYS 459 -3.908 4.076 6.637 213 HD3 LYS 459 HD1 LYS 459 -5.087 3.797 7.925 214 HE2 LYS 459 HE2 LYS 459 -2.926 4.334 8.883 215 HE3 LYS 459 HE1 LYS 459 -3.343 2.660 9.239 216 HZ1 LYS 459 HZ1 LYS 459 -1.512 3.536 7.059 217 HZ2 LYS 459 HZ2 LYS 459 -1.880 1.935 7.483 218 HZ3 LYS 459 HZ3 LYS 459 -1.024 2.913 8.562 219 HA PRO 460 HA PRO 460 -5.497 -3.717 9.860 220 HB2 PRO 460 HB2 PRO 460 -2.972 -4.632 10.260 221 HB3 PRO 460 HB1 PRO 460 -3.950 -5.099 8.862 222 HG2 PRO 460 HG2 PRO 460 -1.795 -3.029 9.060 223 HG3 PRO 460 HG1 PRO 460 -2.077 -4.232 7.786 224 HD2 PRO 460 HD2 PRO 460 -2.831 -1.645 7.535 225 HD3 PRO 460 HD1 PRO 460 -3.743 -2.978 6.799 Start of MODEL 5 1 H1 SER 433 HT1 SER 433 11.161 -2.192 6.796 2 H2 SER 433 HT2 SER 433 11.059 -2.653 5.168 3 H3 SER 433 HT3 SER 433 10.446 -3.669 6.378 4 HA SER 433 HA SER 433 8.804 -1.978 6.956 5 HB2 SER 433 HB2 SER 433 10.258 -0.108 6.005 6 HB3 SER 433 HB1 SER 433 9.702 -0.613 4.411 7 HG SER 433 HG SER 433 8.535 1.121 5.810 8 H GLU 434 HN GLU 434 7.004 -3.045 6.476 9 HA GLU 434 HA GLU 434 7.041 -4.735 4.095 10 HB2 GLU 434 HB2 GLU 434 4.939 -4.823 6.239 11 HB3 GLU 434 HB1 GLU 434 5.491 -6.117 5.186 12 HG2 GLU 434 HG2 GLU 434 7.094 -4.890 7.417 13 HG3 GLU 434 HG1 GLU 434 6.206 -6.407 7.519 14 H TRP 435 HN TRP 435 5.292 -2.074 5.511 15 HA TRP 435 HA TRP 435 3.216 -2.309 3.451 16 HB2 TRP 435 HB2 TRP 435 3.117 -0.680 5.994 17 HB3 TRP 435 HB1 TRP 435 1.775 -1.041 4.911 18 HD1 TRP 435 HD1 TRP 435 2.635 -1.966 8.172 19 HE1 TRP 435 HE1 TRP 435 2.020 -4.396 8.770 20 HE3 TRP 435 HE3 TRP 435 1.995 -3.829 3.459 21 HZ2 TRP 435 HZ2 TRP 435 1.354 -6.787 7.417 22 HZ3 TRP 435 HZ3 TRP 435 1.387 -6.190 3.194 23 HH2 TRP 435 HH2 TRP 435 1.068 -7.643 5.123 24 H THR 436 HN THR 436 3.511 -0.974 1.720 25 HA THR 436 HA THR 436 4.991 1.506 2.030 26 HB THR 436 HB THR 436 3.740 0.235 -0.417 27 HG1 THR 436 HG1 THR 436 6.415 0.286 0.581 28 HG21 THR 436 HG21 THR 436 3.881 2.650 -0.699 29 HG22 THR 436 HG22 THR 436 5.087 1.851 -1.708 30 HG23 THR 436 HG23 THR 436 5.576 2.628 -0.203 31 H GLU 437 HN GLU 437 3.772 3.070 2.985 32 HA GLU 437 HA GLU 437 1.042 3.522 2.077 33 HB2 GLU 437 HB2 GLU 437 2.639 5.246 3.980 34 HB3 GLU 437 HB1 GLU 437 0.894 5.208 3.780 35 HG2 GLU 437 HG2 GLU 437 0.941 2.854 4.638 36 HG3 GLU 437 HG1 GLU 437 2.643 3.101 5.020 37 H ARG 438 HN ARG 438 1.015 4.344 0.051 38 HA ARG 438 HA ARG 438 2.835 6.589 -0.490 39 HB2 ARG 438 HB2 ARG 438 3.559 4.545 -1.651 40 HB3 ARG 438 HB1 ARG 438 1.981 4.416 -2.415 41 HG2 ARG 438 HG2 ARG 438 2.366 6.496 -3.610 42 HG3 ARG 438 HG1 ARG 438 3.930 6.674 -2.814 43 HD2 ARG 438 HD2 ARG 438 3.142 4.390 -4.616 44 HD3 ARG 438 HD1 ARG 438 4.117 5.774 -5.102 45 HE ARG 438 HE ARG 438 5.494 4.780 -2.998 46 HH11 ARG 438 HH11 ARG 438 4.173 3.311 -5.885 47 HH12 ARG 438 HH12 ARG 438 5.436 2.127 -6.033 48 HH21 ARG 438 HH21 ARG 438 7.162 3.222 -3.165 49 HH22 ARG 438 HH22 ARG 438 7.149 2.084 -4.480 50 H LYS 439 HN LYS 439 1.857 8.414 -1.635 51 HA LYS 439 HA LYS 439 -1.036 8.168 -1.937 52 HB2 LYS 439 HB2 LYS 439 -0.286 9.887 -0.354 53 HB3 LYS 439 HB1 LYS 439 0.661 10.645 -1.628 54 HG2 LYS 439 HG2 LYS 439 -1.331 11.223 -2.841 55 HG3 LYS 439 HG1 LYS 439 -2.331 10.322 -1.700 56 HD2 LYS 439 HD2 LYS 439 -2.438 12.714 -1.243 57 HD3 LYS 439 HD1 LYS 439 -1.666 11.854 0.091 58 HE2 LYS 439 HE2 LYS 439 0.539 12.492 -0.818 59 HE3 LYS 439 HE1 LYS 439 -0.274 13.411 -2.087 60 HZ1 LYS 439 HZ1 LYS 439 -1.213 14.863 -0.453 61 HZ2 LYS 439 HZ2 LYS 439 0.461 14.775 -0.177 62 HZ3 LYS 439 HZ3 LYS 439 -0.608 13.919 0.822 63 H THR 440 HN THR 440 -1.665 7.778 -3.917 64 HA THR 440 HA THR 440 -0.168 8.822 -6.182 65 HB THR 440 HB THR 440 -0.983 6.576 -6.474 66 HG1 THR 440 HG1 THR 440 -1.393 7.084 -8.474 67 HG21 THR 440 HG21 THR 440 -3.363 6.007 -6.444 68 HG22 THR 440 HG22 THR 440 -3.759 7.661 -5.981 69 HG23 THR 440 HG23 THR 440 -2.846 6.633 -4.879 70 H ALA 441 HN ALA 441 -1.076 10.192 -7.762 71 HA ALA 441 HA ALA 441 -2.536 12.369 -6.685 72 HB1 ALA 441 HB1 ALA 441 -1.843 11.786 -9.558 73 HB2 ALA 441 HB2 ALA 441 -0.823 12.653 -8.409 74 HB3 ALA 441 HB3 ALA 441 -2.369 13.339 -8.909 75 H ASP 442 HN ASP 442 -3.639 9.442 -7.594 76 HA ASP 442 HA ASP 442 -6.067 10.065 -8.934 77 HB2 ASP 442 HB2 ASP 442 -4.904 7.773 -8.649 78 HB3 ASP 442 HB1 ASP 442 -5.668 7.726 -7.067 79 H GLY 443 HN GLY 443 -4.943 10.731 -5.856 80 HA2 GLY 443 HA2 GLY 443 -6.075 11.919 -4.181 81 HA3 GLY 443 HA1 GLY 443 -7.606 11.459 -4.918 82 H LYS 444 HN LYS 444 -5.060 9.173 -4.254 83 HA LYS 444 HA LYS 444 -6.604 8.051 -2.027 84 HB2 LYS 444 HB2 LYS 444 -5.759 6.538 -4.506 85 HB3 LYS 444 HB1 LYS 444 -6.359 5.777 -3.041 86 HG2 LYS 444 HG2 LYS 444 -8.503 6.913 -3.325 87 HG3 LYS 444 HG1 LYS 444 -7.898 7.685 -4.793 88 HD2 LYS 444 HD2 LYS 444 -7.632 5.531 -5.860 89 HD3 LYS 444 HD1 LYS 444 -8.105 4.704 -4.374 90 HE2 LYS 444 HE2 LYS 444 -9.958 4.753 -5.928 91 HE3 LYS 444 HE1 LYS 444 -10.322 5.750 -4.520 92 HZ1 LYS 444 HZ1 LYS 444 -9.870 7.713 -5.770 93 HZ2 LYS 444 HZ2 LYS 444 -10.938 6.764 -6.675 94 HZ3 LYS 444 HZ3 LYS 444 -9.293 6.824 -7.092 95 H THR 445 HN THR 445 -5.331 7.316 -0.418 96 HA THR 445 HA THR 445 -2.482 6.962 -0.947 97 HB THR 445 HB THR 445 -3.902 6.892 1.716 98 HG1 THR 445 HG1 THR 445 -3.642 8.960 0.219 99 HG21 THR 445 HG21 THR 445 -1.736 5.747 1.699 100 HG22 THR 445 HG22 THR 445 -1.647 7.242 2.630 101 HG23 THR 445 HG23 THR 445 -0.979 7.178 0.999 102 H TYR 446 HN TYR 446 -2.052 4.949 -1.730 103 HA TYR 446 HA TYR 446 -3.723 2.756 -0.760 104 HB2 TYR 446 HB2 TYR 446 -3.118 1.535 -2.732 105 HB3 TYR 446 HB1 TYR 446 -3.631 3.141 -3.215 106 HD1 TYR 446 HD1 TYR 446 -1.859 4.824 -3.894 107 HD2 TYR 446 HD2 TYR 446 -1.008 0.694 -3.325 108 HE1 TYR 446 HE1 TYR 446 0.181 5.055 -5.250 109 HE2 TYR 446 HE2 TYR 446 1.031 0.922 -4.675 110 HH TYR 446 HH TYR 446 2.038 4.067 -5.980 111 H TYR 447 HN TYR 447 -2.839 0.878 0.051 112 HA TYR 447 HA TYR 447 -0.080 1.199 0.981 113 HB2 TYR 447 HB2 TYR 447 -2.082 -0.658 2.241 114 HB3 TYR 447 HB1 TYR 447 -0.656 0.089 2.958 115 HD1 TYR 447 HD1 TYR 447 -0.695 2.668 3.206 116 HD2 TYR 447 HD2 TYR 447 -4.186 0.326 2.574 117 HE1 TYR 447 HE1 TYR 447 -2.075 4.515 4.050 118 HE2 TYR 447 HE2 TYR 447 -5.579 2.166 3.422 119 HH TYR 447 HH TYR 447 -4.328 5.326 3.959 120 H TYR 448 HN TYR 448 0.965 0.262 -0.716 121 HA TYR 448 HA TYR 448 0.214 -2.378 -1.604 122 HB2 TYR 448 HB2 TYR 448 0.933 -0.784 -3.261 123 HB3 TYR 448 HB1 TYR 448 2.437 -0.489 -2.403 124 HD1 TYR 448 HD1 TYR 448 0.545 -3.134 -4.215 125 HD2 TYR 448 HD2 TYR 448 4.351 -1.722 -2.933 126 HE1 TYR 448 HE1 TYR 448 1.642 -4.858 -5.588 127 HE2 TYR 448 HE2 TYR 448 5.455 -3.441 -4.300 128 HH TYR 448 HH TYR 448 3.781 -5.287 -6.649 129 H ASN 449 HN ASN 449 1.041 -4.201 -0.855 130 HA ASN 449 HA ASN 449 3.135 -4.132 1.153 131 HB2 ASN 449 HB2 ASN 449 1.203 -5.444 1.698 132 HB3 ASN 449 HB1 ASN 449 1.249 -6.273 0.147 133 HD21 ASN 449 HD21 ASN 449 1.156 -8.208 1.414 134 HD22 ASN 449 HD22 ASN 449 2.598 -8.852 2.123 135 H ASN 450 HN ASN 450 5.183 -4.551 0.690 136 HA ASN 450 HA ASN 450 5.823 -5.324 -2.045 137 HB2 ASN 450 HB2 ASN 450 8.101 -4.564 -1.539 138 HB3 ASN 450 HB1 ASN 450 6.923 -3.318 -1.153 139 HD21 ASN 450 HD21 ASN 450 6.641 -2.688 0.951 140 HD22 ASN 450 HD22 ASN 450 7.698 -3.182 2.232 141 H ARG 451 HN ARG 451 5.330 -6.805 0.833 142 HA ARG 451 HA ARG 451 7.442 -8.750 0.627 143 HB2 ARG 451 HB2 ARG 451 4.974 -8.793 2.347 144 HB3 ARG 451 HB1 ARG 451 6.314 -9.923 2.462 145 HG2 ARG 451 HG2 ARG 451 6.310 -6.992 3.103 146 HG3 ARG 451 HG1 ARG 451 6.582 -8.348 4.197 147 HD2 ARG 451 HD2 ARG 451 8.391 -7.316 2.025 148 HD3 ARG 451 HD1 ARG 451 8.700 -7.369 3.758 149 HE ARG 451 HE ARG 451 8.726 -9.668 1.917 150 HH11 ARG 451 HH11 ARG 451 9.324 -8.351 5.106 151 HH12 ARG 451 HH12 ARG 451 10.442 -9.611 5.550 152 HH21 ARG 451 HH21 ARG 451 10.162 -11.320 2.493 153 HH22 ARG 451 HH22 ARG 451 10.920 -11.307 4.058 154 H THR 452 HN THR 452 4.023 -8.600 -0.169 155 HA THR 452 HA THR 452 4.263 -11.271 -1.390 156 HB THR 452 HB THR 452 1.678 -10.119 -0.344 157 HG1 THR 452 HG1 THR 452 2.125 -11.215 1.611 158 HG21 THR 452 HG21 THR 452 2.628 -12.953 -0.814 159 HG22 THR 452 HG22 THR 452 1.519 -12.053 -1.848 160 HG23 THR 452 HG23 THR 452 1.040 -12.487 -0.206 161 H LEU 453 HN LEU 453 4.120 -8.117 -2.184 162 HA LEU 453 HA LEU 453 3.415 -6.860 -3.944 163 HB2 LEU 453 HB2 LEU 453 3.076 -9.596 -5.175 164 HB3 LEU 453 HB1 LEU 453 2.743 -8.120 -6.058 165 HG LEU 453 HG LEU 453 5.164 -7.458 -5.540 166 HD11 LEU 453 HD11 LEU 453 5.597 -9.105 -3.797 167 HD12 LEU 453 HD12 LEU 453 6.715 -9.300 -5.148 168 HD13 LEU 453 HD13 LEU 453 5.358 -10.409 -4.960 169 HD21 LEU 453 HD21 LEU 453 4.573 -9.794 -7.346 170 HD22 LEU 453 HD22 LEU 453 6.012 -8.778 -7.432 171 HD23 LEU 453 HD23 LEU 453 4.422 -8.085 -7.753 172 H GLU 454 HN GLU 454 1.692 -7.618 -1.849 173 HA GLU 454 HA GLU 454 -0.938 -8.157 -2.970 174 HB2 GLU 454 HB2 GLU 454 -0.267 -9.365 -0.982 175 HB3 GLU 454 HB1 GLU 454 0.128 -7.870 -0.152 176 HG2 GLU 454 HG2 GLU 454 -2.235 -7.257 -0.142 177 HG3 GLU 454 HG1 GLU 454 -2.621 -8.763 -0.972 178 H SER 455 HN SER 455 -2.549 -6.620 -3.129 179 HA SER 455 HA SER 455 -1.713 -3.878 -2.534 180 HB2 SER 455 HB2 SER 455 -2.557 -4.677 -4.864 181 HB3 SER 455 HB1 SER 455 -4.158 -4.605 -4.132 182 HG SER 455 HG SER 455 -2.395 -2.550 -4.792 183 H THR 456 HN THR 456 -2.308 -3.209 -0.576 184 HA THR 456 HA THR 456 -4.851 -4.154 0.554 185 HB THR 456 HB THR 456 -2.528 -2.899 2.027 186 HG1 THR 456 HG1 THR 456 -2.916 -5.589 2.395 187 HG21 THR 456 HG21 THR 456 -4.671 -2.806 3.204 188 HG22 THR 456 HG22 THR 456 -3.564 -3.928 3.994 189 HG23 THR 456 HG23 THR 456 -4.874 -4.545 2.986 190 H TRP 457 HN TRP 457 -6.486 -2.720 0.613 191 HA TRP 457 HA TRP 457 -5.787 0.136 0.535 192 HB2 TRP 457 HB2 TRP 457 -8.123 -1.309 -0.730 193 HB3 TRP 457 HB1 TRP 457 -7.978 0.452 -0.661 194 HD1 TRP 457 HD1 TRP 457 -5.877 -2.548 -1.938 195 HE1 TRP 457 HE1 TRP 457 -4.567 -1.799 -4.016 196 HE3 TRP 457 HE3 TRP 457 -7.396 2.332 -2.131 197 HZ2 TRP 457 HZ2 TRP 457 -4.208 0.542 -5.523 198 HZ3 TRP 457 HZ3 TRP 457 -6.531 3.757 -3.941 199 HH2 TRP 457 HH2 TRP 457 -4.977 2.879 -5.611 200 H GLU 458 HN GLU 458 -6.853 -2.121 2.573 201 HA GLU 458 HA GLU 458 -8.242 -0.081 4.171 202 HB2 GLU 458 HB2 GLU 458 -9.651 -2.090 3.590 203 HB3 GLU 458 HB1 GLU 458 -8.504 -3.080 4.486 204 HG2 GLU 458 HG2 GLU 458 -10.502 -2.522 5.796 205 HG3 GLU 458 HG1 GLU 458 -9.018 -1.906 6.528 206 H LYS 459 HN LYS 459 -7.089 0.577 5.914 207 HA LYS 459 HA LYS 459 -4.466 -0.372 6.310 208 HB2 LYS 459 HB2 LYS 459 -6.110 1.209 8.292 209 HB3 LYS 459 HB1 LYS 459 -4.359 1.083 8.241 210 HG2 LYS 459 HG2 LYS 459 -4.728 2.053 5.809 211 HG3 LYS 459 HG1 LYS 459 -6.198 2.678 6.556 212 HD2 LYS 459 HD2 LYS 459 -4.524 4.355 6.781 213 HD3 LYS 459 HD1 LYS 459 -4.744 3.632 8.376 214 HE2 LYS 459 HE2 LYS 459 -2.762 2.276 8.068 215 HE3 LYS 459 HE1 LYS 459 -2.581 2.867 6.418 216 HZ1 LYS 459 HZ1 LYS 459 -2.199 4.366 8.945 217 HZ2 LYS 459 HZ2 LYS 459 -2.366 5.146 7.445 218 HZ3 LYS 459 HZ3 LYS 459 -1.068 4.082 7.704 219 HA PRO 460 HA PRO 460 -5.407 -3.950 8.807 220 HB2 PRO 460 HB2 PRO 460 -2.813 -4.545 9.426 221 HB3 PRO 460 HB1 PRO 460 -3.573 -4.976 7.890 222 HG2 PRO 460 HG2 PRO 460 -1.748 -2.700 8.536 223 HG3 PRO 460 HG1 PRO 460 -1.796 -3.727 7.092 224 HD2 PRO 460 HD2 PRO 460 -2.841 -1.224 7.158 225 HD3 PRO 460 HD1 PRO 460 -3.497 -2.516 6.132 Start of MODEL 6 1 H1 SER 433 HT1 SER 433 8.462 -0.222 3.820 2 H2 SER 433 HT2 SER 433 9.667 -1.227 3.188 3 H3 SER 433 HT3 SER 433 10.076 0.001 4.284 4 HA SER 433 HA SER 433 10.131 -2.061 5.420 5 HB2 SER 433 HB2 SER 433 7.623 -0.508 6.143 6 HB3 SER 433 HB1 SER 433 8.570 -1.533 7.229 7 HG SER 433 HG SER 433 9.517 0.319 7.650 8 H GLU 434 HN GLU 434 6.936 -2.494 6.228 9 HA GLU 434 HA GLU 434 6.772 -4.816 4.471 10 HB2 GLU 434 HB2 GLU 434 5.223 -4.038 6.948 11 HB3 GLU 434 HB1 GLU 434 4.810 -5.427 5.954 12 HG2 GLU 434 HG2 GLU 434 6.077 -6.147 7.862 13 HG3 GLU 434 HG1 GLU 434 7.034 -6.382 6.401 14 H TRP 435 HN TRP 435 5.094 -1.860 5.306 15 HA TRP 435 HA TRP 435 3.229 -2.326 3.072 16 HB2 TRP 435 HB2 TRP 435 2.779 -0.542 5.478 17 HB3 TRP 435 HB1 TRP 435 1.604 -0.963 4.238 18 HD1 TRP 435 HD1 TRP 435 2.170 -1.725 7.658 19 HE1 TRP 435 HE1 TRP 435 1.299 -4.058 8.331 20 HE3 TRP 435 HE3 TRP 435 1.668 -3.761 3.002 21 HZ2 TRP 435 HZ2 TRP 435 0.514 -6.441 7.044 22 HZ3 TRP 435 HZ3 TRP 435 0.867 -6.073 2.808 23 HH2 TRP 435 HH2 TRP 435 0.297 -7.385 4.781 24 H THR 436 HN THR 436 3.265 -0.822 1.449 25 HA THR 436 HA THR 436 4.886 1.578 1.845 26 HB THR 436 HB THR 436 3.678 0.400 -0.671 27 HG1 THR 436 HG1 THR 436 5.533 -0.695 0.239 28 HG21 THR 436 HG21 THR 436 5.015 2.101 -1.875 29 HG22 THR 436 HG22 THR 436 5.446 2.834 -0.331 30 HG23 THR 436 HG23 THR 436 3.764 2.829 -0.864 31 H GLU 437 HN GLU 437 3.627 3.024 2.964 32 HA GLU 437 HA GLU 437 0.908 3.508 2.057 33 HB2 GLU 437 HB2 GLU 437 2.431 5.043 4.169 34 HB3 GLU 437 HB1 GLU 437 0.693 5.015 3.920 35 HG2 GLU 437 HG2 GLU 437 0.863 3.626 5.710 36 HG3 GLU 437 HG1 GLU 437 0.991 2.449 4.404 37 H ARG 438 HN ARG 438 0.965 4.449 0.119 38 HA ARG 438 HA ARG 438 2.565 6.891 -0.141 39 HB2 ARG 438 HB2 ARG 438 3.717 5.106 -1.304 40 HB3 ARG 438 HB1 ARG 438 2.245 4.652 -2.147 41 HG2 ARG 438 HG2 ARG 438 2.320 6.536 -3.532 42 HG3 ARG 438 HG1 ARG 438 3.477 7.363 -2.485 43 HD2 ARG 438 HD2 ARG 438 4.065 4.829 -4.013 44 HD3 ARG 438 HD1 ARG 438 4.477 6.450 -4.574 45 HE ARG 438 HE ARG 438 5.727 6.536 -2.298 46 HH11 ARG 438 HH11 ARG 438 5.423 3.700 -4.355 47 HH12 ARG 438 HH12 ARG 438 6.964 3.044 -3.890 48 HH21 ARG 438 HH21 ARG 438 7.743 5.656 -1.670 49 HH22 ARG 438 HH22 ARG 438 8.285 4.155 -2.370 50 H LYS 439 HN LYS 439 1.575 8.564 -1.498 51 HA LYS 439 HA LYS 439 -1.298 8.122 -1.826 52 HB2 LYS 439 HB2 LYS 439 0.331 10.664 -1.655 53 HB3 LYS 439 HB1 LYS 439 -1.393 10.626 -1.995 54 HG2 LYS 439 HG2 LYS 439 -1.817 9.600 0.169 55 HG3 LYS 439 HG1 LYS 439 -0.084 9.582 0.506 56 HD2 LYS 439 HD2 LYS 439 -0.036 12.026 0.389 57 HD3 LYS 439 HD1 LYS 439 -1.765 12.049 0.044 58 HE2 LYS 439 HE2 LYS 439 -0.518 10.925 2.547 59 HE3 LYS 439 HE1 LYS 439 -1.227 12.533 2.411 60 HZ1 LYS 439 HZ1 LYS 439 -3.364 11.580 1.990 61 HZ2 LYS 439 HZ2 LYS 439 -2.735 10.830 3.379 62 HZ3 LYS 439 HZ3 LYS 439 -2.722 10.016 1.896 63 H THR 440 HN THR 440 -2.065 7.800 -3.759 64 HA THR 440 HA THR 440 -0.452 8.385 -6.104 65 HB THR 440 HB THR 440 -1.631 6.226 -6.006 66 HG1 THR 440 HG1 THR 440 -2.274 6.297 -8.106 67 HG21 THR 440 HG21 THR 440 -4.070 6.132 -6.275 68 HG22 THR 440 HG22 THR 440 -4.151 7.885 -6.102 69 HG23 THR 440 HG23 THR 440 -3.612 6.890 -4.749 70 H ALA 441 HN ALA 441 -1.270 9.631 -7.875 71 HA ALA 441 HA ALA 441 -1.966 12.193 -7.000 72 HB1 ALA 441 HB1 ALA 441 -0.618 11.747 -8.989 73 HB2 ALA 441 HB2 ALA 441 -1.978 12.813 -9.344 74 HB3 ALA 441 HB3 ALA 441 -2.045 11.114 -9.810 75 H ASP 442 HN ASP 442 -4.030 9.578 -7.754 76 HA ASP 442 HA ASP 442 -6.288 11.139 -8.564 77 HB2 ASP 442 HB2 ASP 442 -6.067 8.745 -9.151 78 HB3 ASP 442 HB1 ASP 442 -6.230 8.326 -7.447 79 H GLY 443 HN GLY 443 -4.709 10.830 -5.662 80 HA2 GLY 443 HA2 GLY 443 -5.287 11.968 -3.694 81 HA3 GLY 443 HA1 GLY 443 -6.955 12.028 -4.242 82 H LYS 444 HN LYS 444 -4.986 9.135 -4.138 83 HA LYS 444 HA LYS 444 -6.612 8.175 -1.884 84 HB2 LYS 444 HB2 LYS 444 -5.729 6.637 -4.330 85 HB3 LYS 444 HB1 LYS 444 -6.389 5.880 -2.890 86 HG2 LYS 444 HG2 LYS 444 -8.441 7.354 -3.272 87 HG3 LYS 444 HG1 LYS 444 -7.767 7.645 -4.880 88 HD2 LYS 444 HD2 LYS 444 -7.743 5.248 -5.320 89 HD3 LYS 444 HD1 LYS 444 -8.361 4.930 -3.700 90 HE2 LYS 444 HE2 LYS 444 -10.256 4.781 -5.037 91 HE3 LYS 444 HE1 LYS 444 -10.341 6.418 -4.389 92 HZ1 LYS 444 HZ1 LYS 444 -10.829 6.348 -6.755 93 HZ2 LYS 444 HZ2 LYS 444 -9.306 5.683 -7.074 94 HZ3 LYS 444 HZ3 LYS 444 -9.428 7.258 -6.461 95 H THR 445 HN THR 445 -5.479 7.463 -0.198 96 HA THR 445 HA THR 445 -2.595 7.126 -0.437 97 HB THR 445 HB THR 445 -4.224 6.707 2.069 98 HG1 THR 445 HG1 THR 445 -4.611 8.779 2.121 99 HG21 THR 445 HG21 THR 445 -1.378 7.594 1.583 100 HG22 THR 445 HG22 THR 445 -1.887 6.000 2.137 101 HG23 THR 445 HG23 THR 445 -2.138 7.411 3.164 102 H TYR 446 HN TYR 446 -2.186 5.191 -1.435 103 HA TYR 446 HA TYR 446 -3.749 2.878 -0.539 104 HB2 TYR 446 HB2 TYR 446 -3.293 1.818 -2.606 105 HB3 TYR 446 HB1 TYR 446 -3.760 3.467 -2.983 106 HD1 TYR 446 HD1 TYR 446 -1.808 5.138 -3.441 107 HD2 TYR 446 HD2 TYR 446 -1.379 0.906 -3.501 108 HE1 TYR 446 HE1 TYR 446 0.194 5.366 -4.851 109 HE2 TYR 446 HE2 TYR 446 0.626 1.118 -4.901 110 HH TYR 446 HH TYR 446 1.505 2.880 -6.581 111 H TYR 447 HN TYR 447 -2.757 0.948 -0.016 112 HA TYR 447 HA TYR 447 0.012 1.308 0.878 113 HB2 TYR 447 HB2 TYR 447 -1.931 -0.631 2.120 114 HB3 TYR 447 HB1 TYR 447 -0.478 0.079 2.825 115 HD1 TYR 447 HD1 TYR 447 -0.507 2.516 3.486 116 HD2 TYR 447 HD2 TYR 447 -4.034 0.454 2.307 117 HE1 TYR 447 HE1 TYR 447 -1.867 4.315 4.446 118 HE2 TYR 447 HE2 TYR 447 -5.406 2.243 3.280 119 HH TYR 447 HH TYR 447 -5.287 4.037 4.827 120 H TYR 448 HN TYR 448 1.157 0.379 -0.755 121 HA TYR 448 HA TYR 448 0.289 -2.136 -1.873 122 HB2 TYR 448 HB2 TYR 448 1.219 -0.453 -3.364 123 HB3 TYR 448 HB1 TYR 448 2.713 -0.416 -2.433 124 HD1 TYR 448 HD1 TYR 448 0.579 -2.931 -4.205 125 HD2 TYR 448 HD2 TYR 448 4.507 -1.564 -3.313 126 HE1 TYR 448 HE1 TYR 448 1.512 -4.682 -5.656 127 HE2 TYR 448 HE2 TYR 448 5.451 -3.311 -4.762 128 HH TYR 448 HH TYR 448 4.836 -5.460 -5.692 129 H ASN 449 HN ASN 449 1.046 -4.075 -1.389 130 HA ASN 449 HA ASN 449 2.795 -4.357 0.917 131 HB2 ASN 449 HB2 ASN 449 0.629 -5.542 0.825 132 HB3 ASN 449 HB1 ASN 449 1.132 -6.360 -0.645 133 HD21 ASN 449 HD21 ASN 449 0.230 -7.654 1.669 134 HD22 ASN 449 HD22 ASN 449 1.536 -8.584 2.321 135 H ASN 450 HN ASN 450 4.908 -4.602 0.588 136 HA ASN 450 HA ASN 450 5.848 -5.722 -1.955 137 HB2 ASN 450 HB2 ASN 450 8.062 -4.789 -1.294 138 HB3 ASN 450 HB1 ASN 450 6.806 -3.565 -1.423 139 HD21 ASN 450 HD21 ASN 450 8.972 -5.250 0.691 140 HD22 ASN 450 HD22 ASN 450 8.674 -4.274 2.097 141 H ARG 451 HN ARG 451 5.028 -6.824 0.959 142 HA ARG 451 HA ARG 451 7.284 -8.613 1.361 143 HB2 ARG 451 HB2 ARG 451 4.731 -8.211 2.909 144 HB3 ARG 451 HB1 ARG 451 5.930 -9.429 3.313 145 HG2 ARG 451 HG2 ARG 451 6.396 -6.457 3.257 146 HG3 ARG 451 HG1 ARG 451 6.159 -7.443 4.701 147 HD2 ARG 451 HD2 ARG 451 8.162 -8.755 4.076 148 HD3 ARG 451 HD1 ARG 451 8.417 -7.661 2.717 149 HE ARG 451 HE ARG 451 8.240 -6.261 5.193 150 HH11 ARG 451 HH11 ARG 451 10.378 -8.177 3.203 151 HH12 ARG 451 HH12 ARG 451 11.828 -7.475 3.850 152 HH21 ARG 451 HH21 ARG 451 10.114 -5.334 6.074 153 HH22 ARG 451 HH22 ARG 451 11.680 -5.855 5.503 154 H THR 452 HN THR 452 3.862 -8.769 0.517 155 HA THR 452 HA THR 452 4.220 -11.607 -0.213 156 HB THR 452 HB THR 452 1.552 -10.364 0.409 157 HG1 THR 452 HG1 THR 452 3.546 -11.261 2.213 158 HG21 THR 452 HG21 THR 452 1.583 -12.592 -0.614 159 HG22 THR 452 HG22 THR 452 0.976 -12.659 1.039 160 HG23 THR 452 HG23 THR 452 2.624 -13.177 0.684 161 H LEU 453 HN LEU 453 4.056 -8.653 -1.554 162 HA LEU 453 HA LEU 453 3.430 -7.738 -3.528 163 HB2 LEU 453 HB2 LEU 453 3.160 -10.610 -4.430 164 HB3 LEU 453 HB1 LEU 453 3.208 -9.209 -5.484 165 HG LEU 453 HG LEU 453 5.463 -10.154 -3.713 166 HD11 LEU 453 HD11 LEU 453 5.157 -10.219 -6.713 167 HD12 LEU 453 HD12 LEU 453 5.051 -11.614 -5.640 168 HD13 LEU 453 HD13 LEU 453 6.573 -10.738 -5.799 169 HD21 LEU 453 HD21 LEU 453 5.357 -7.901 -5.718 170 HD22 LEU 453 HD22 LEU 453 6.793 -8.448 -4.853 171 HD23 LEU 453 HD23 LEU 453 5.453 -7.723 -3.967 172 H GLU 454 HN GLU 454 1.570 -6.956 -2.428 173 HA GLU 454 HA GLU 454 -0.950 -8.104 -3.365 174 HB2 GLU 454 HB2 GLU 454 -0.524 -9.132 -1.178 175 HB3 GLU 454 HB1 GLU 454 -0.283 -7.546 -0.467 176 HG2 GLU 454 HG2 GLU 454 -2.633 -6.995 -0.989 177 HG3 GLU 454 HG1 GLU 454 -2.850 -8.642 -1.581 178 H SER 455 HN SER 455 -2.562 -6.569 -3.635 179 HA SER 455 HA SER 455 -1.768 -3.792 -3.193 180 HB2 SER 455 HB2 SER 455 -2.667 -4.634 -5.428 181 HB3 SER 455 HB1 SER 455 -4.232 -4.792 -4.639 182 HG SER 455 HG SER 455 -4.358 -2.807 -5.413 183 H THR 456 HN THR 456 -2.170 -3.240 -1.114 184 HA THR 456 HA THR 456 -4.607 -4.278 0.164 185 HB THR 456 HB THR 456 -2.226 -3.138 1.618 186 HG1 THR 456 HG1 THR 456 -2.527 -5.928 1.232 187 HG21 THR 456 HG21 THR 456 -4.281 -3.459 2.906 188 HG22 THR 456 HG22 THR 456 -3.026 -4.588 3.425 189 HG23 THR 456 HG23 THR 456 -4.345 -5.146 2.395 190 H TRP 457 HN TRP 457 -6.171 -2.756 -0.063 191 HA TRP 457 HA TRP 457 -5.403 0.049 0.372 192 HB2 TRP 457 HB2 TRP 457 -7.763 -1.151 -1.096 193 HB3 TRP 457 HB1 TRP 457 -7.557 0.581 -0.811 194 HD1 TRP 457 HD1 TRP 457 -5.240 -2.214 -2.182 195 HE1 TRP 457 HE1 TRP 457 -3.980 -1.303 -4.216 196 HE3 TRP 457 HE3 TRP 457 -7.297 2.471 -2.380 197 HZ2 TRP 457 HZ2 TRP 457 -3.849 1.060 -5.700 198 HZ3 TRP 457 HZ3 TRP 457 -6.554 3.993 -4.170 199 HH2 TRP 457 HH2 TRP 457 -4.872 3.297 -5.804 200 H GLU 458 HN GLU 458 -6.395 -2.388 2.101 201 HA GLU 458 HA GLU 458 -8.119 -0.772 3.849 202 HB2 GLU 458 HB2 GLU 458 -7.628 -3.750 3.685 203 HB3 GLU 458 HB1 GLU 458 -8.496 -2.993 5.013 204 HG2 GLU 458 HG2 GLU 458 -9.303 -2.814 2.121 205 HG3 GLU 458 HG1 GLU 458 -9.975 -3.952 3.290 206 H LYS 459 HN LYS 459 -7.313 -0.099 5.780 207 HA LYS 459 HA LYS 459 -4.493 -0.369 6.178 208 HB2 LYS 459 HB2 LYS 459 -6.676 1.108 7.575 209 HB3 LYS 459 HB1 LYS 459 -5.139 0.877 8.399 210 HG2 LYS 459 HG2 LYS 459 -4.040 1.845 6.351 211 HG3 LYS 459 HG1 LYS 459 -5.654 2.307 5.816 212 HD2 LYS 459 HD2 LYS 459 -4.472 4.140 6.946 213 HD3 LYS 459 HD1 LYS 459 -5.951 3.680 7.789 214 HE2 LYS 459 HE2 LYS 459 -3.349 2.455 8.603 215 HE3 LYS 459 HE1 LYS 459 -3.727 4.098 9.114 216 HZ1 LYS 459 HZ1 LYS 459 -5.549 3.376 10.346 217 HZ2 LYS 459 HZ2 LYS 459 -4.375 2.190 10.653 218 HZ3 LYS 459 HZ3 LYS 459 -5.631 1.878 9.565 219 HA PRO 460 HA PRO 460 -4.727 -3.931 8.863 220 HB2 PRO 460 HB2 PRO 460 -2.076 -4.058 9.406 221 HB3 PRO 460 HB1 PRO 460 -2.764 -4.611 7.876 222 HG2 PRO 460 HG2 PRO 460 -1.349 -2.060 8.507 223 HG3 PRO 460 HG1 PRO 460 -1.238 -3.075 7.060 224 HD2 PRO 460 HD2 PRO 460 -2.714 -0.778 7.203 225 HD3 PRO 460 HD1 PRO 460 -3.084 -2.121 6.104 Start of MODEL 7 1 H1 SER 433 HT1 SER 433 6.411 0.313 7.611 2 H2 SER 433 HT2 SER 433 6.037 1.123 6.168 3 H3 SER 433 HT3 SER 433 6.788 1.958 7.433 4 HA SER 433 HA SER 433 8.337 1.426 5.650 5 HB2 SER 433 HB2 SER 433 9.128 1.660 7.982 6 HB3 SER 433 HB1 SER 433 8.857 -0.062 8.241 7 HG SER 433 HG SER 433 10.816 1.233 6.691 8 H GLU 434 HN GLU 434 6.852 -1.374 7.183 9 HA GLU 434 HA GLU 434 8.002 -3.250 5.305 10 HB2 GLU 434 HB2 GLU 434 6.583 -4.901 6.484 11 HB3 GLU 434 HB1 GLU 434 7.576 -3.975 7.598 12 HG2 GLU 434 HG2 GLU 434 4.692 -3.324 7.030 13 HG3 GLU 434 HG1 GLU 434 5.205 -4.407 8.320 14 H TRP 435 HN TRP 435 5.463 -1.109 5.437 15 HA TRP 435 HA TRP 435 4.033 -2.418 3.235 16 HB2 TRP 435 HB2 TRP 435 3.036 -0.333 5.204 17 HB3 TRP 435 HB1 TRP 435 2.096 -1.022 3.884 18 HD1 TRP 435 HD1 TRP 435 2.340 -1.381 7.445 19 HE1 TRP 435 HE1 TRP 435 1.612 -3.723 8.239 20 HE3 TRP 435 HE3 TRP 435 2.498 -3.831 2.971 21 HZ2 TRP 435 HZ2 TRP 435 1.169 -6.274 7.105 22 HZ3 TRP 435 HZ3 TRP 435 1.913 -6.213 2.908 23 HH2 TRP 435 HH2 TRP 435 1.267 -7.414 4.920 24 H THR 436 HN THR 436 3.510 -1.120 1.410 25 HA THR 436 HA THR 436 5.282 1.164 1.068 26 HB THR 436 HB THR 436 3.370 -0.123 -0.900 27 HG1 THR 436 HG1 THR 436 5.101 -1.493 -0.370 28 HG21 THR 436 HG21 THR 436 5.529 1.949 -1.347 29 HG22 THR 436 HG22 THR 436 3.790 2.217 -1.469 30 HG23 THR 436 HG23 THR 436 4.600 1.150 -2.617 31 H GLU 437 HN GLU 437 4.412 2.676 2.364 32 HA GLU 437 HA GLU 437 1.606 3.377 2.148 33 HB2 GLU 437 HB2 GLU 437 3.811 4.506 3.893 34 HB3 GLU 437 HB1 GLU 437 2.097 4.874 4.040 35 HG2 GLU 437 HG2 GLU 437 1.596 2.865 4.986 36 HG3 GLU 437 HG1 GLU 437 2.912 2.025 4.172 37 H ARG 438 HN ARG 438 1.420 4.275 0.144 38 HA ARG 438 HA ARG 438 2.925 6.747 -0.325 39 HB2 ARG 438 HB2 ARG 438 3.954 4.846 -1.556 40 HB3 ARG 438 HB1 ARG 438 2.422 4.569 -2.369 41 HG2 ARG 438 HG2 ARG 438 2.574 6.713 -3.470 42 HG3 ARG 438 HG1 ARG 438 4.055 7.089 -2.587 43 HD2 ARG 438 HD2 ARG 438 3.702 4.795 -4.512 44 HD3 ARG 438 HD1 ARG 438 4.501 6.321 -4.886 45 HE ARG 438 HE ARG 438 5.793 5.315 -2.655 46 HH11 ARG 438 HH11 ARG 438 5.214 4.232 -5.937 47 HH12 ARG 438 HH12 ARG 438 6.707 3.356 -6.052 48 HH21 ARG 438 HH21 ARG 438 7.756 4.155 -2.795 49 HH22 ARG 438 HH22 ARG 438 8.153 3.305 -4.263 50 H LYS 439 HN LYS 439 1.684 8.372 -1.535 51 HA LYS 439 HA LYS 439 -1.111 7.587 -1.944 52 HB2 LYS 439 HB2 LYS 439 -0.894 9.130 -0.064 53 HB3 LYS 439 HB1 LYS 439 -0.030 10.273 -1.083 54 HG2 LYS 439 HG2 LYS 439 -1.959 10.754 -2.351 55 HG3 LYS 439 HG1 LYS 439 -2.835 9.380 -1.675 56 HD2 LYS 439 HD2 LYS 439 -3.585 11.494 -0.702 57 HD3 LYS 439 HD1 LYS 439 -2.855 10.444 0.513 58 HE2 LYS 439 HE2 LYS 439 -0.749 11.717 0.297 59 HE3 LYS 439 HE1 LYS 439 -1.542 12.792 -0.854 60 HZ1 LYS 439 HZ1 LYS 439 -1.456 13.625 1.475 61 HZ2 LYS 439 HZ2 LYS 439 -2.509 12.373 1.916 62 HZ3 LYS 439 HZ3 LYS 439 -3.017 13.558 0.818 63 H THR 440 HN THR 440 -1.819 7.677 -3.908 64 HA THR 440 HA THR 440 -0.232 8.974 -5.968 65 HB THR 440 HB THR 440 -1.070 6.702 -6.382 66 HG1 THR 440 HG1 THR 440 -1.764 7.090 -8.454 67 HG21 THR 440 HG21 THR 440 -3.455 6.287 -6.749 68 HG22 THR 440 HG22 THR 440 -3.819 7.938 -6.248 69 HG23 THR 440 HG23 THR 440 -3.137 6.797 -5.089 70 H ALA 441 HN ALA 441 -1.127 10.492 -7.463 71 HA ALA 441 HA ALA 441 -2.470 12.597 -6.140 72 HB1 ALA 441 HB1 ALA 441 -0.800 12.963 -7.883 73 HB2 ALA 441 HB2 ALA 441 -2.317 13.779 -8.262 74 HB3 ALA 441 HB3 ALA 441 -1.894 12.275 -9.082 75 H ASP 442 HN ASP 442 -3.774 9.846 -7.418 76 HA ASP 442 HA ASP 442 -6.203 10.886 -8.504 77 HB2 ASP 442 HB2 ASP 442 -5.104 8.517 -8.764 78 HB3 ASP 442 HB1 ASP 442 -5.976 8.152 -7.280 79 H GLY 443 HN GLY 443 -4.928 10.858 -5.440 80 HA2 GLY 443 HA2 GLY 443 -5.916 11.925 -3.602 81 HA3 GLY 443 HA1 GLY 443 -7.498 11.656 -4.318 82 H LYS 444 HN LYS 444 -5.026 9.203 -3.816 83 HA LYS 444 HA LYS 444 -6.657 7.982 -1.720 84 HB2 LYS 444 HB2 LYS 444 -5.932 6.661 -4.342 85 HB3 LYS 444 HB1 LYS 444 -6.576 5.797 -2.950 86 HG2 LYS 444 HG2 LYS 444 -8.668 6.720 -3.170 87 HG3 LYS 444 HG1 LYS 444 -8.069 8.135 -4.034 88 HD2 LYS 444 HD2 LYS 444 -7.565 6.662 -5.968 89 HD3 LYS 444 HD1 LYS 444 -8.337 5.330 -5.101 90 HE2 LYS 444 HE2 LYS 444 -10.440 6.455 -5.093 91 HE3 LYS 444 HE1 LYS 444 -9.710 7.946 -5.691 92 HZ1 LYS 444 HZ1 LYS 444 -9.197 6.801 -7.767 93 HZ2 LYS 444 HZ2 LYS 444 -10.862 6.797 -7.451 94 HZ3 LYS 444 HZ3 LYS 444 -9.948 5.390 -7.191 95 H THR 445 HN THR 445 -5.423 7.217 -0.149 96 HA THR 445 HA THR 445 -2.571 6.858 -0.573 97 HB THR 445 HB THR 445 -4.141 6.463 1.983 98 HG1 THR 445 HG1 THR 445 -3.630 8.588 2.477 99 HG21 THR 445 HG21 THR 445 -1.989 6.708 3.075 100 HG22 THR 445 HG22 THR 445 -1.204 6.991 1.523 101 HG23 THR 445 HG23 THR 445 -1.903 5.412 1.879 102 H TYR 446 HN TYR 446 -1.810 4.883 -1.197 103 HA TYR 446 HA TYR 446 -3.483 2.558 -0.525 104 HB2 TYR 446 HB2 TYR 446 -2.912 1.529 -2.578 105 HB3 TYR 446 HB1 TYR 446 -3.378 3.176 -2.968 106 HD1 TYR 446 HD1 TYR 446 -1.477 4.871 -3.372 107 HD2 TYR 446 HD2 TYR 446 -0.892 0.658 -3.299 108 HE1 TYR 446 HE1 TYR 446 0.606 5.142 -4.649 109 HE2 TYR 446 HE2 TYR 446 1.195 0.914 -4.567 110 HH TYR 446 HH TYR 446 2.153 2.642 -6.202 111 H TYR 447 HN TYR 447 -2.444 0.625 -0.002 112 HA TYR 447 HA TYR 447 0.343 0.979 0.880 113 HB2 TYR 447 HB2 TYR 447 -1.650 -0.839 2.242 114 HB3 TYR 447 HB1 TYR 447 -0.131 -0.206 2.878 115 HD1 TYR 447 HD1 TYR 447 -0.000 2.109 3.699 116 HD2 TYR 447 HD2 TYR 447 -3.660 0.485 2.271 117 HE1 TYR 447 HE1 TYR 447 -1.205 4.012 4.667 118 HE2 TYR 447 HE2 TYR 447 -4.882 2.389 3.236 119 HH TYR 447 HH TYR 447 -4.659 4.109 4.844 120 H TYR 448 HN TYR 448 1.400 -0.060 -0.752 121 HA TYR 448 HA TYR 448 0.389 -2.574 -1.734 122 HB2 TYR 448 HB2 TYR 448 1.340 -0.983 -3.319 123 HB3 TYR 448 HB1 TYR 448 2.880 -1.021 -2.466 124 HD1 TYR 448 HD1 TYR 448 0.512 -3.172 -4.359 125 HD2 TYR 448 HD2 TYR 448 4.522 -2.586 -3.063 126 HE1 TYR 448 HE1 TYR 448 1.237 -5.046 -5.775 127 HE2 TYR 448 HE2 TYR 448 5.258 -4.456 -4.481 128 HH TYR 448 HH TYR 448 3.286 -5.839 -6.877 129 H ASN 449 HN ASN 449 1.000 -4.516 -1.108 130 HA ASN 449 HA ASN 449 3.074 -4.883 0.898 131 HB2 ASN 449 HB2 ASN 449 0.868 -5.943 1.196 132 HB3 ASN 449 HB1 ASN 449 1.043 -6.770 -0.342 133 HD21 ASN 449 HD21 ASN 449 0.479 -8.027 2.080 134 HD22 ASN 449 HD22 ASN 449 1.815 -9.050 2.491 135 H ASN 450 HN ASN 450 5.102 -5.206 0.158 136 HA ASN 450 HA ASN 450 5.454 -6.211 -2.564 137 HB2 ASN 450 HB2 ASN 450 7.748 -5.411 -2.396 138 HB3 ASN 450 HB1 ASN 450 6.638 -4.134 -1.917 139 HD21 ASN 450 HD21 ASN 450 9.429 -4.401 -1.300 140 HD22 ASN 450 HD22 ASN 450 9.558 -4.467 0.425 141 H ARG 451 HN ARG 451 5.200 -7.446 0.425 142 HA ARG 451 HA ARG 451 7.325 -9.399 0.281 143 HB2 ARG 451 HB2 ARG 451 4.984 -9.428 2.180 144 HB3 ARG 451 HB1 ARG 451 6.542 -10.218 2.380 145 HG2 ARG 451 HG2 ARG 451 7.599 -7.973 2.498 146 HG3 ARG 451 HG1 ARG 451 5.985 -7.261 2.460 147 HD2 ARG 451 HD2 ARG 451 7.146 -9.076 4.566 148 HD3 ARG 451 HD1 ARG 451 6.701 -7.379 4.742 149 HE ARG 451 HE ARG 451 4.606 -9.315 4.080 150 HH11 ARG 451 HH11 ARG 451 6.062 -7.135 6.392 151 HH12 ARG 451 HH12 ARG 451 4.713 -7.184 7.489 152 HH21 ARG 451 HH21 ARG 451 2.854 -9.428 5.517 153 HH22 ARG 451 HH22 ARG 451 2.884 -8.513 6.997 154 H THR 452 HN THR 452 3.842 -9.272 -0.204 155 HA THR 452 HA THR 452 3.937 -12.030 -1.242 156 HB THR 452 HB THR 452 1.485 -10.723 -0.055 157 HG1 THR 452 HG1 THR 452 3.566 -12.229 1.179 158 HG21 THR 452 HG21 THR 452 0.725 -13.042 0.192 159 HG22 THR 452 HG22 THR 452 2.228 -13.614 -0.528 160 HG23 THR 452 HG23 THR 452 1.091 -12.674 -1.493 161 H LEU 453 HN LEU 453 3.759 -8.931 -2.228 162 HA LEU 453 HA LEU 453 3.124 -7.870 -4.137 163 HB2 LEU 453 HB2 LEU 453 2.289 -10.617 -5.082 164 HB3 LEU 453 HB1 LEU 453 2.454 -9.195 -6.093 165 HG LEU 453 HG LEU 453 4.686 -10.634 -4.656 166 HD11 LEU 453 HD11 LEU 453 5.460 -11.146 -6.915 167 HD12 LEU 453 HD12 LEU 453 4.030 -10.361 -7.584 168 HD13 LEU 453 HD13 LEU 453 3.860 -11.820 -6.608 169 HD21 LEU 453 HD21 LEU 453 4.799 -8.211 -6.445 170 HD22 LEU 453 HD22 LEU 453 6.185 -9.079 -5.787 171 HD23 LEU 453 HD23 LEU 453 5.085 -8.224 -4.706 172 H GLU 454 HN GLU 454 1.384 -8.155 -1.914 173 HA GLU 454 HA GLU 454 -1.320 -8.436 -2.961 174 HB2 GLU 454 HB2 GLU 454 -0.826 -9.361 -0.752 175 HB3 GLU 454 HB1 GLU 454 -0.224 -7.803 -0.206 176 HG2 GLU 454 HG2 GLU 454 -2.599 -6.953 -0.723 177 HG3 GLU 454 HG1 GLU 454 -3.039 -8.659 -0.728 178 H SER 455 HN SER 455 -2.789 -6.658 -3.070 179 HA SER 455 HA SER 455 -1.511 -4.029 -2.717 180 HB2 SER 455 HB2 SER 455 -2.322 -4.716 -5.054 181 HB3 SER 455 HB1 SER 455 -3.957 -4.525 -4.420 182 HG SER 455 HG SER 455 -2.129 -2.642 -5.169 183 H THR 456 HN THR 456 -2.018 -3.355 -0.738 184 HA THR 456 HA THR 456 -4.601 -4.027 0.445 185 HB THR 456 HB THR 456 -2.226 -2.655 1.719 186 HG1 THR 456 HG1 THR 456 -2.900 -5.438 1.719 187 HG21 THR 456 HG21 THR 456 -3.211 -3.192 3.800 188 HG22 THR 456 HG22 THR 456 -4.408 -4.244 3.049 189 HG23 THR 456 HG23 THR 456 -4.498 -2.500 2.820 190 H TRP 457 HN TRP 457 -6.221 -2.577 0.214 191 HA TRP 457 HA TRP 457 -5.486 0.271 0.238 192 HB2 TRP 457 HB2 TRP 457 -7.779 -1.103 -1.181 193 HB3 TRP 457 HB1 TRP 457 -7.596 0.652 -1.070 194 HD1 TRP 457 HD1 TRP 457 -5.507 -2.373 -2.292 195 HE1 TRP 457 HE1 TRP 457 -4.065 -1.621 -4.276 196 HE3 TRP 457 HE3 TRP 457 -6.902 2.549 -2.481 197 HZ2 TRP 457 HZ2 TRP 457 -3.569 0.733 -5.719 198 HZ3 TRP 457 HZ3 TRP 457 -5.910 3.981 -4.223 199 HH2 TRP 457 HH2 TRP 457 -4.287 3.089 -5.819 200 H GLU 458 HN GLU 458 -6.705 -2.029 2.158 201 HA GLU 458 HA GLU 458 -8.246 -0.065 3.712 202 HB2 GLU 458 HB2 GLU 458 -8.508 -3.081 3.684 203 HB3 GLU 458 HB1 GLU 458 -9.359 -2.009 4.785 204 HG2 GLU 458 HG2 GLU 458 -9.649 -2.055 1.787 205 HG3 GLU 458 HG1 GLU 458 -10.792 -2.723 2.952 206 H LYS 459 HN LYS 459 -7.136 0.610 5.437 207 HA LYS 459 HA LYS 459 -4.604 -0.362 6.129 208 HB2 LYS 459 HB2 LYS 459 -6.488 1.253 7.840 209 HB3 LYS 459 HB1 LYS 459 -4.770 1.035 8.139 210 HG2 LYS 459 HG2 LYS 459 -4.504 2.056 5.765 211 HG3 LYS 459 HG1 LYS 459 -6.140 2.656 6.047 212 HD2 LYS 459 HD2 LYS 459 -3.657 3.214 7.669 213 HD3 LYS 459 HD1 LYS 459 -4.614 4.362 6.735 214 HE2 LYS 459 HE2 LYS 459 -5.374 4.815 8.854 215 HE3 LYS 459 HE1 LYS 459 -6.542 3.598 8.342 216 HZ1 LYS 459 HZ1 LYS 459 -4.743 2.015 9.427 217 HZ2 LYS 459 HZ2 LYS 459 -5.964 2.737 10.343 218 HZ3 LYS 459 HZ3 LYS 459 -4.408 3.410 10.333 219 HA PRO 460 HA PRO 460 -5.684 -3.871 8.835 220 HB2 PRO 460 HB2 PRO 460 -2.812 -3.496 9.484 221 HB3 PRO 460 HB1 PRO 460 -3.682 -4.971 9.052 222 HG2 PRO 460 HG2 PRO 460 -2.035 -3.769 7.323 223 HG3 PRO 460 HG1 PRO 460 -3.529 -4.558 6.787 224 HD2 PRO 460 HD2 PRO 460 -2.919 -1.657 7.092 225 HD3 PRO 460 HD1 PRO 460 -3.944 -2.489 5.902 Start of MODEL 8 1 H1 SER 433 HT1 SER 433 7.113 1.561 4.842 2 H2 SER 433 HT2 SER 433 8.791 1.521 5.087 3 H3 SER 433 HT3 SER 433 7.775 2.213 6.257 4 HA SER 433 HA SER 433 8.558 0.004 6.897 5 HB2 SER 433 HB2 SER 433 6.352 -0.822 7.570 6 HB3 SER 433 HB1 SER 433 6.367 0.933 7.664 7 HG SER 433 HG SER 433 4.977 1.069 6.054 8 H GLU 434 HN GLU 434 7.160 -2.390 6.428 9 HA GLU 434 HA GLU 434 8.119 -3.206 3.860 10 HB2 GLU 434 HB2 GLU 434 6.873 -5.350 4.384 11 HB3 GLU 434 HB1 GLU 434 8.130 -4.896 5.524 12 HG2 GLU 434 HG2 GLU 434 5.269 -4.169 6.022 13 HG3 GLU 434 HG1 GLU 434 5.889 -5.770 6.428 14 H TRP 435 HN TRP 435 5.339 -1.696 5.002 15 HA TRP 435 HA TRP 435 3.727 -2.368 2.668 16 HB2 TRP 435 HB2 TRP 435 3.161 -0.347 4.853 17 HB3 TRP 435 HB1 TRP 435 2.013 -0.995 3.689 18 HD1 TRP 435 HD1 TRP 435 2.963 -1.369 7.161 19 HE1 TRP 435 HE1 TRP 435 2.118 -3.590 8.144 20 HE3 TRP 435 HE3 TRP 435 1.816 -3.776 2.811 21 HZ2 TRP 435 HZ2 TRP 435 1.103 -6.057 7.186 22 HZ3 TRP 435 HZ3 TRP 435 0.926 -6.060 2.925 23 HH2 TRP 435 HH2 TRP 435 0.565 -7.176 5.056 24 H THR 436 HN THR 436 3.549 -1.006 0.924 25 HA THR 436 HA THR 436 5.213 1.382 0.942 26 HB THR 436 HB THR 436 3.621 0.108 -1.294 27 HG1 THR 436 HG1 THR 436 6.312 0.016 -0.446 28 HG21 THR 436 HG21 THR 436 3.806 2.527 -1.647 29 HG22 THR 436 HG22 THR 436 4.827 1.648 -2.787 30 HG23 THR 436 HG23 THR 436 5.548 2.437 -1.385 31 H GLU 437 HN GLU 437 4.219 2.926 2.132 32 HA GLU 437 HA GLU 437 1.416 3.538 1.642 33 HB2 GLU 437 HB2 GLU 437 3.251 5.182 3.373 34 HB3 GLU 437 HB1 GLU 437 1.512 4.976 3.503 35 HG2 GLU 437 HG2 GLU 437 2.159 3.694 5.252 36 HG3 GLU 437 HG1 GLU 437 2.207 2.471 3.985 37 H ARG 438 HN ARG 438 1.229 4.417 -0.341 38 HA ARG 438 HA ARG 438 3.071 6.606 -1.029 39 HB2 ARG 438 HB2 ARG 438 3.479 4.482 -2.238 40 HB3 ARG 438 HB1 ARG 438 1.853 4.572 -2.893 41 HG2 ARG 438 HG2 ARG 438 2.395 6.531 -4.146 42 HG3 ARG 438 HG1 ARG 438 3.975 6.653 -3.363 43 HD2 ARG 438 HD2 ARG 438 4.661 4.548 -4.354 44 HD3 ARG 438 HD1 ARG 438 3.063 4.336 -5.069 45 HE ARG 438 HE ARG 438 4.092 6.773 -5.973 46 HH11 ARG 438 HH11 ARG 438 4.844 3.358 -6.208 47 HH12 ARG 438 HH12 ARG 438 5.502 3.477 -7.811 48 HH21 ARG 438 HH21 ARG 438 4.919 6.929 -8.102 49 HH22 ARG 438 HH22 ARG 438 5.528 5.506 -8.897 50 H LYS 439 HN LYS 439 1.809 8.589 -1.140 51 HA LYS 439 HA LYS 439 -1.026 8.320 -1.641 52 HB2 LYS 439 HB2 LYS 439 -0.152 9.756 0.207 53 HB3 LYS 439 HB1 LYS 439 0.561 10.804 -1.011 54 HG2 LYS 439 HG2 LYS 439 -1.596 11.394 -1.863 55 HG3 LYS 439 HG1 LYS 439 -2.383 10.206 -0.821 56 HD2 LYS 439 HD2 LYS 439 -0.844 12.629 0.119 57 HD3 LYS 439 HD1 LYS 439 -2.601 12.487 0.066 58 HE2 LYS 439 HE2 LYS 439 -2.468 10.593 1.643 59 HE3 LYS 439 HE1 LYS 439 -0.719 10.804 1.722 60 HZ1 LYS 439 HZ1 LYS 439 -1.074 13.031 2.609 61 HZ2 LYS 439 HZ2 LYS 439 -1.803 11.858 3.594 62 HZ3 LYS 439 HZ3 LYS 439 -2.756 12.803 2.555 63 H THR 440 HN THR 440 -1.691 8.253 -3.642 64 HA THR 440 HA THR 440 -0.182 9.570 -5.748 65 HB THR 440 HB THR 440 -0.921 7.316 -6.235 66 HG1 THR 440 HG1 THR 440 -1.378 7.865 -8.225 67 HG21 THR 440 HG21 THR 440 -3.303 6.745 -6.417 68 HG22 THR 440 HG22 THR 440 -3.725 8.336 -5.784 69 HG23 THR 440 HG23 THR 440 -2.858 7.184 -4.767 70 H ALA 441 HN ALA 441 -1.094 11.056 -7.205 71 HA ALA 441 HA ALA 441 -2.645 13.078 -5.956 72 HB1 ALA 441 HB1 ALA 441 -1.898 12.806 -8.863 73 HB2 ALA 441 HB2 ALA 441 -0.913 13.572 -7.617 74 HB3 ALA 441 HB3 ALA 441 -2.470 14.269 -8.063 75 H ASP 442 HN ASP 442 -3.585 10.224 -7.339 76 HA ASP 442 HA ASP 442 -6.078 10.909 -8.480 77 HB2 ASP 442 HB2 ASP 442 -5.007 8.674 -8.677 78 HB3 ASP 442 HB1 ASP 442 -5.313 8.396 -6.967 79 H GLY 443 HN GLY 443 -4.882 11.174 -5.353 80 HA2 GLY 443 HA2 GLY 443 -5.969 12.213 -3.559 81 HA3 GLY 443 HA1 GLY 443 -7.515 11.868 -4.322 82 H LYS 444 HN LYS 444 -5.043 9.429 -3.900 83 HA LYS 444 HA LYS 444 -6.498 8.288 -1.628 84 HB2 LYS 444 HB2 LYS 444 -5.868 6.686 -4.116 85 HB3 LYS 444 HB1 LYS 444 -6.613 6.074 -2.649 86 HG2 LYS 444 HG2 LYS 444 -8.438 7.858 -3.154 87 HG3 LYS 444 HG1 LYS 444 -7.779 7.796 -4.790 88 HD2 LYS 444 HD2 LYS 444 -8.065 5.290 -4.676 89 HD3 LYS 444 HD1 LYS 444 -8.979 5.543 -3.189 90 HE2 LYS 444 HE2 LYS 444 -10.643 5.454 -4.805 91 HE3 LYS 444 HE1 LYS 444 -10.380 7.188 -4.614 92 HZ1 LYS 444 HZ1 LYS 444 -9.239 5.475 -6.755 93 HZ2 LYS 444 HZ2 LYS 444 -8.926 7.132 -6.570 94 HZ3 LYS 444 HZ3 LYS 444 -10.495 6.598 -6.947 95 H THR 445 HN THR 445 -5.226 7.189 -0.224 96 HA THR 445 HA THR 445 -2.402 6.865 -0.926 97 HB THR 445 HB THR 445 -3.707 6.701 1.796 98 HG1 THR 445 HG1 THR 445 -3.760 8.834 1.015 99 HG21 THR 445 HG21 THR 445 -1.623 5.410 1.631 100 HG22 THR 445 HG22 THR 445 -1.422 6.828 2.660 101 HG23 THR 445 HG23 THR 445 -0.790 6.838 1.013 102 H TYR 446 HN TYR 446 -2.016 4.887 -1.810 103 HA TYR 446 HA TYR 446 -3.674 2.661 -0.886 104 HB2 TYR 446 HB2 TYR 446 -3.214 1.553 -2.905 105 HB3 TYR 446 HB1 TYR 446 -3.496 3.225 -3.353 106 HD1 TYR 446 HD1 TYR 446 -1.385 4.694 -3.755 107 HD2 TYR 446 HD2 TYR 446 -1.319 0.441 -3.610 108 HE1 TYR 446 HE1 TYR 446 0.726 4.684 -5.019 109 HE2 TYR 446 HE2 TYR 446 0.792 0.422 -4.867 110 HH TYR 446 HH TYR 446 2.008 1.893 -6.437 111 H TYR 447 HN TYR 447 -2.783 0.735 -0.192 112 HA TYR 447 HA TYR 447 -0.010 1.006 0.740 113 HB2 TYR 447 HB2 TYR 447 -1.993 -0.868 1.994 114 HB3 TYR 447 HB1 TYR 447 -0.587 -0.091 2.719 115 HD1 TYR 447 HD1 TYR 447 -0.712 2.406 3.219 116 HD2 TYR 447 HD2 TYR 447 -4.127 0.111 2.139 117 HE1 TYR 447 HE1 TYR 447 -2.170 4.181 4.083 118 HE2 TYR 447 HE2 TYR 447 -5.595 1.877 3.009 119 HH TYR 447 HH TYR 447 -5.547 3.743 4.520 120 H TYR 448 HN TYR 448 1.143 -0.055 -0.810 121 HA TYR 448 HA TYR 448 0.240 -2.615 -1.784 122 HB2 TYR 448 HB2 TYR 448 1.365 -1.024 -3.287 123 HB3 TYR 448 HB1 TYR 448 2.821 -1.122 -2.301 124 HD1 TYR 448 HD1 TYR 448 0.612 -3.021 -4.576 125 HD2 TYR 448 HD2 TYR 448 4.356 -2.918 -2.563 126 HE1 TYR 448 HE1 TYR 448 1.377 -4.932 -5.919 127 HE2 TYR 448 HE2 TYR 448 5.136 -4.830 -3.893 128 HH TYR 448 HH TYR 448 4.308 -6.626 -5.217 129 H ASN 449 HN ASN 449 0.893 -4.550 -1.152 130 HA ASN 449 HA ASN 449 2.568 -4.799 1.214 131 HB2 ASN 449 HB2 ASN 449 0.394 -5.962 1.087 132 HB3 ASN 449 HB1 ASN 449 0.922 -6.808 -0.358 133 HD21 ASN 449 HD21 ASN 449 -0.069 -8.079 1.914 134 HD22 ASN 449 HD22 ASN 449 1.211 -9.014 2.615 135 H ASN 450 HN ASN 450 4.697 -5.207 0.997 136 HA ASN 450 HA ASN 450 5.655 -6.197 -1.586 137 HB2 ASN 450 HB2 ASN 450 7.157 -4.898 0.688 138 HB3 ASN 450 HB1 ASN 450 7.893 -5.436 -0.815 139 HD21 ASN 450 HD21 ASN 450 5.892 -3.080 0.720 140 HD22 ASN 450 HD22 ASN 450 5.835 -1.959 -0.602 141 H ARG 451 HN ARG 451 4.860 -7.416 1.378 142 HA ARG 451 HA ARG 451 7.026 -9.323 1.576 143 HB2 ARG 451 HB2 ARG 451 4.494 -8.949 3.168 144 HB3 ARG 451 HB1 ARG 451 5.604 -10.284 3.445 145 HG2 ARG 451 HG2 ARG 451 6.271 -7.357 3.686 146 HG3 ARG 451 HG1 ARG 451 5.979 -8.475 5.020 147 HD2 ARG 451 HD2 ARG 451 7.893 -9.830 4.284 148 HD3 ARG 451 HD1 ARG 451 8.196 -8.677 2.984 149 HE ARG 451 HE ARG 451 8.238 -7.768 5.785 150 HH11 ARG 451 HH11 ARG 451 9.893 -8.358 2.746 151 HH12 ARG 451 HH12 ARG 451 11.319 -7.472 3.206 152 HH21 ARG 451 HH21 ARG 451 10.128 -6.606 6.388 153 HH22 ARG 451 HH22 ARG 451 11.462 -6.507 5.279 154 H THR 452 HN THR 452 3.610 -9.313 0.696 155 HA THR 452 HA THR 452 3.935 -12.062 -0.324 156 HB THR 452 HB THR 452 1.277 -10.764 0.224 157 HG1 THR 452 HG1 THR 452 2.070 -12.401 2.237 158 HG21 THR 452 HG21 THR 452 0.559 -13.086 0.554 159 HG22 THR 452 HG22 THR 452 2.208 -13.642 0.266 160 HG23 THR 452 HG23 THR 452 1.296 -12.870 -1.032 161 H LEU 453 HN LEU 453 3.993 -8.986 -1.332 162 HA LEU 453 HA LEU 453 3.462 -7.779 -3.170 163 HB2 LEU 453 HB2 LEU 453 3.317 -10.486 -4.507 164 HB3 LEU 453 HB1 LEU 453 3.418 -8.943 -5.333 165 HG LEU 453 HG LEU 453 5.548 -10.159 -3.575 166 HD11 LEU 453 HD11 LEU 453 5.465 -9.665 -6.546 167 HD12 LEU 453 HD12 LEU 453 5.335 -11.235 -5.753 168 HD13 LEU 453 HD13 LEU 453 6.833 -10.311 -5.638 169 HD21 LEU 453 HD21 LEU 453 5.548 -7.563 -5.107 170 HD22 LEU 453 HD22 LEU 453 6.927 -8.264 -4.260 171 HD23 LEU 453 HD23 LEU 453 5.511 -7.736 -3.352 172 H GLU 454 HN GLU 454 1.531 -7.150 -2.141 173 HA GLU 454 HA GLU 454 -0.933 -8.380 -3.189 174 HB2 GLU 454 HB2 GLU 454 -0.407 -9.222 -0.911 175 HB3 GLU 454 HB1 GLU 454 -0.385 -7.569 -0.323 176 HG2 GLU 454 HG2 GLU 454 -2.824 -7.573 -1.348 177 HG3 GLU 454 HG1 GLU 454 -2.662 -9.303 -1.038 178 H SER 455 HN SER 455 -2.683 -6.939 -3.413 179 HA SER 455 HA SER 455 -2.003 -4.104 -3.224 180 HB2 SER 455 HB2 SER 455 -2.929 -5.064 -5.361 181 HB3 SER 455 HB1 SER 455 -4.434 -5.384 -4.506 182 HG SER 455 HG SER 455 -4.813 -3.446 -5.336 183 H THR 456 HN THR 456 -2.323 -3.456 -1.150 184 HA THR 456 HA THR 456 -4.695 -4.422 0.288 185 HB THR 456 HB THR 456 -2.321 -2.997 1.496 186 HG1 THR 456 HG1 THR 456 -2.691 -5.818 1.147 187 HG21 THR 456 HG21 THR 456 -4.319 -3.149 2.898 188 HG22 THR 456 HG22 THR 456 -3.030 -4.170 3.536 189 HG23 THR 456 HG23 THR 456 -4.372 -4.894 2.652 190 H TRP 457 HN TRP 457 -6.380 -3.044 0.297 191 HA TRP 457 HA TRP 457 -5.765 -0.166 0.305 192 HB2 TRP 457 HB2 TRP 457 -8.007 -1.635 -1.093 193 HB3 TRP 457 HB1 TRP 457 -7.960 0.125 -0.917 194 HD1 TRP 457 HD1 TRP 457 -5.648 -2.674 -2.271 195 HE1 TRP 457 HE1 TRP 457 -4.304 -1.744 -4.245 196 HE3 TRP 457 HE3 TRP 457 -7.452 2.115 -2.298 197 HZ2 TRP 457 HZ2 TRP 457 -4.010 0.672 -5.606 198 HZ3 TRP 457 HZ3 TRP 457 -6.595 3.673 -4.000 199 HH2 TRP 457 HH2 TRP 457 -4.920 2.962 -5.634 200 H GLU 458 HN GLU 458 -6.675 -2.475 2.278 201 HA GLU 458 HA GLU 458 -8.177 -0.559 3.933 202 HB2 GLU 458 HB2 GLU 458 -8.173 -3.583 4.124 203 HB3 GLU 458 HB1 GLU 458 -9.033 -2.492 5.202 204 HG2 GLU 458 HG2 GLU 458 -10.334 -1.689 3.239 205 HG3 GLU 458 HG1 GLU 458 -9.558 -2.947 2.277 206 H LYS 459 HN LYS 459 -7.125 0.096 5.751 207 HA LYS 459 HA LYS 459 -4.373 -0.504 5.991 208 HB2 LYS 459 HB2 LYS 459 -6.248 0.922 7.877 209 HB3 LYS 459 HB1 LYS 459 -4.510 0.806 8.128 210 HG2 LYS 459 HG2 LYS 459 -4.263 1.869 5.840 211 HG3 LYS 459 HG1 LYS 459 -5.985 2.234 5.944 212 HD2 LYS 459 HD2 LYS 459 -4.647 4.129 6.668 213 HD3 LYS 459 HD1 LYS 459 -5.592 3.483 8.015 214 HE2 LYS 459 HE2 LYS 459 -3.601 2.254 8.783 215 HE3 LYS 459 HE1 LYS 459 -2.673 2.953 7.457 216 HZ1 LYS 459 HZ1 LYS 459 -3.179 5.173 8.400 217 HZ2 LYS 459 HZ2 LYS 459 -2.257 4.197 9.436 218 HZ3 LYS 459 HZ3 LYS 459 -3.912 4.415 9.732 219 HA PRO 460 HA PRO 460 -4.668 -4.286 8.357 220 HB2 PRO 460 HB2 PRO 460 -1.989 -4.379 8.967 221 HB3 PRO 460 HB1 PRO 460 -2.682 -4.968 7.453 222 HG2 PRO 460 HG2 PRO 460 -1.321 -2.374 8.035 223 HG3 PRO 460 HG1 PRO 460 -1.194 -3.413 6.603 224 HD2 PRO 460 HD2 PRO 460 -2.687 -1.171 6.613 225 HD3 PRO 460 HD1 PRO 460 -3.165 -2.613 5.694 Start of MODEL 9 1 H1 SER 433 HT1 SER 433 10.912 -1.873 4.316 2 H2 SER 433 HT2 SER 433 10.548 -1.601 5.953 3 H3 SER 433 HT3 SER 433 10.993 -0.306 4.954 4 HA SER 433 HA SER 433 8.623 -0.330 5.372 5 HB2 SER 433 HB2 SER 433 9.413 -1.008 2.526 6 HB3 SER 433 HB1 SER 433 7.907 -0.223 3.003 7 HG SER 433 HG SER 433 8.981 1.565 2.865 8 H GLU 434 HN GLU 434 7.193 -1.670 6.203 9 HA GLU 434 HA GLU 434 6.995 -4.422 5.220 10 HB2 GLU 434 HB2 GLU 434 6.971 -3.711 7.717 11 HB3 GLU 434 HB1 GLU 434 5.322 -3.191 7.405 12 HG2 GLU 434 HG2 GLU 434 5.121 -5.336 8.305 13 HG3 GLU 434 HG1 GLU 434 4.897 -5.547 6.569 14 H TRP 435 HN TRP 435 5.146 -1.450 5.559 15 HA TRP 435 HA TRP 435 3.335 -2.360 3.424 16 HB2 TRP 435 HB2 TRP 435 2.496 -0.610 5.752 17 HB3 TRP 435 HB1 TRP 435 1.459 -1.263 4.492 18 HD1 TRP 435 HD1 TRP 435 2.221 -1.825 7.963 19 HE1 TRP 435 HE1 TRP 435 1.633 -4.216 8.711 20 HE3 TRP 435 HE3 TRP 435 1.713 -4.010 3.373 21 HZ2 TRP 435 HZ2 TRP 435 1.043 -6.702 7.511 22 HZ3 TRP 435 HZ3 TRP 435 1.156 -6.400 3.261 23 HH2 TRP 435 HH2 TRP 435 0.822 -7.716 5.281 24 H THR 436 HN THR 436 3.455 -0.983 1.696 25 HA THR 436 HA THR 436 4.775 1.584 2.075 26 HB THR 436 HB THR 436 3.869 0.184 -0.447 27 HG1 THR 436 HG1 THR 436 5.680 -0.839 -0.014 28 HG21 THR 436 HG21 THR 436 5.451 2.745 -0.136 29 HG22 THR 436 HG22 THR 436 3.807 2.612 -0.765 30 HG23 THR 436 HG23 THR 436 5.154 1.903 -1.657 31 H GLU 437 HN GLU 437 3.398 3.079 2.898 32 HA GLU 437 HA GLU 437 0.785 3.417 1.671 33 HB2 GLU 437 HB2 GLU 437 2.099 5.122 3.799 34 HB3 GLU 437 HB1 GLU 437 0.418 5.202 3.294 35 HG2 GLU 437 HG2 GLU 437 0.216 2.801 4.089 36 HG3 GLU 437 HG1 GLU 437 1.794 3.032 4.841 37 H ARG 438 HN ARG 438 1.192 4.047 -0.395 38 HA ARG 438 HA ARG 438 2.981 6.335 -0.754 39 HB2 ARG 438 HB2 ARG 438 3.581 4.348 -2.032 40 HB3 ARG 438 HB1 ARG 438 1.982 4.306 -2.759 41 HG2 ARG 438 HG2 ARG 438 2.409 6.391 -3.909 42 HG3 ARG 438 HG1 ARG 438 3.981 6.528 -3.119 43 HD2 ARG 438 HD2 ARG 438 3.182 4.240 -4.906 44 HD3 ARG 438 HD1 ARG 438 4.053 5.665 -5.466 45 HE ARG 438 HE ARG 438 5.640 4.838 -3.485 46 HH11 ARG 438 HH11 ARG 438 4.076 3.001 -6.020 47 HH12 ARG 438 HH12 ARG 438 5.389 1.872 -6.186 48 HH21 ARG 438 HH21 ARG 438 7.368 3.380 -3.700 49 HH22 ARG 438 HH22 ARG 438 7.283 2.099 -4.877 50 H LYS 439 HN LYS 439 2.074 8.345 -1.590 51 HA LYS 439 HA LYS 439 -0.825 8.322 -1.748 52 HB2 LYS 439 HB2 LYS 439 0.221 10.010 -0.325 53 HB3 LYS 439 HB1 LYS 439 1.155 10.609 -1.688 54 HG2 LYS 439 HG2 LYS 439 -0.828 11.397 -2.780 55 HG3 LYS 439 HG1 LYS 439 -1.851 10.652 -1.549 56 HD2 LYS 439 HD2 LYS 439 -1.665 13.026 -1.130 57 HD3 LYS 439 HD1 LYS 439 -0.845 12.129 0.146 58 HE2 LYS 439 HE2 LYS 439 0.504 14.018 -0.482 59 HE3 LYS 439 HE1 LYS 439 1.306 12.539 -1.003 60 HZ1 LYS 439 HZ1 LYS 439 0.805 12.954 -3.220 61 HZ2 LYS 439 HZ2 LYS 439 1.209 14.489 -2.621 62 HZ3 LYS 439 HZ3 LYS 439 -0.418 14.072 -2.851 63 H THR 440 HN THR 440 -1.700 7.969 -3.640 64 HA THR 440 HA THR 440 -0.361 8.716 -6.103 65 HB THR 440 HB THR 440 -3.114 7.821 -6.393 66 HG1 THR 440 HG1 THR 440 -2.874 6.697 -4.500 67 HG21 THR 440 HG21 THR 440 -0.412 6.787 -7.225 68 HG22 THR 440 HG22 THR 440 -1.617 7.607 -8.222 69 HG23 THR 440 HG23 THR 440 -1.917 5.968 -7.639 70 H ALA 441 HN ALA 441 -1.068 10.309 -7.530 71 HA ALA 441 HA ALA 441 -2.066 12.643 -6.294 72 HB1 ALA 441 HB1 ALA 441 -1.716 12.087 -9.234 73 HB2 ALA 441 HB2 ALA 441 -0.469 12.689 -8.141 74 HB3 ALA 441 HB3 ALA 441 -1.890 13.675 -8.488 75 H ASP 442 HN ASP 442 -3.726 10.029 -7.621 76 HA ASP 442 HA ASP 442 -6.086 11.290 -8.530 77 HB2 ASP 442 HB2 ASP 442 -5.522 8.941 -9.017 78 HB3 ASP 442 HB1 ASP 442 -5.726 8.541 -7.316 79 H GLY 443 HN GLY 443 -4.744 11.170 -5.473 80 HA2 GLY 443 HA2 GLY 443 -5.606 12.248 -3.579 81 HA3 GLY 443 HA1 GLY 443 -7.216 12.151 -4.279 82 H LYS 444 HN LYS 444 -5.129 9.393 -4.160 83 HA LYS 444 HA LYS 444 -6.456 8.377 -1.772 84 HB2 LYS 444 HB2 LYS 444 -6.832 6.170 -2.910 85 HB3 LYS 444 HB1 LYS 444 -7.874 7.471 -3.459 86 HG2 LYS 444 HG2 LYS 444 -6.826 7.608 -5.524 87 HG3 LYS 444 HG1 LYS 444 -5.361 6.811 -4.942 88 HD2 LYS 444 HD2 LYS 444 -6.504 4.703 -4.793 89 HD3 LYS 444 HD1 LYS 444 -8.046 5.457 -5.191 90 HE2 LYS 444 HE2 LYS 444 -5.757 5.687 -7.095 91 HE3 LYS 444 HE1 LYS 444 -6.667 4.177 -7.013 92 HZ1 LYS 444 HZ1 LYS 444 -8.672 5.350 -7.536 93 HZ2 LYS 444 HZ2 LYS 444 -7.511 5.738 -8.707 94 HZ3 LYS 444 HZ3 LYS 444 -7.885 6.851 -7.482 95 H THR 445 HN THR 445 -5.077 7.380 -0.478 96 HA THR 445 HA THR 445 -2.374 6.845 -1.398 97 HB THR 445 HB THR 445 -3.547 6.521 1.375 98 HG1 THR 445 HG1 THR 445 -2.795 8.603 1.764 99 HG21 THR 445 HG21 THR 445 -1.437 5.324 1.028 100 HG22 THR 445 HG22 THR 445 -1.225 6.689 2.124 101 HG23 THR 445 HG23 THR 445 -0.685 6.811 0.449 102 H TYR 446 HN TYR 446 -1.847 4.833 -2.146 103 HA TYR 446 HA TYR 446 -3.631 2.640 -1.369 104 HB2 TYR 446 HB2 TYR 446 -2.980 1.469 -3.348 105 HB3 TYR 446 HB1 TYR 446 -3.409 3.106 -3.802 106 HD1 TYR 446 HD1 TYR 446 -1.542 4.734 -4.384 107 HD2 TYR 446 HD2 TYR 446 -0.879 0.562 -3.842 108 HE1 TYR 446 HE1 TYR 446 0.573 4.907 -5.630 109 HE2 TYR 446 HE2 TYR 446 1.235 0.734 -5.085 110 HH TYR 446 HH TYR 446 2.191 2.287 -6.871 111 H TYR 447 HN TYR 447 -2.856 0.809 -0.375 112 HA TYR 447 HA TYR 447 -0.131 1.090 0.650 113 HB2 TYR 447 HB2 TYR 447 -2.085 -0.902 1.746 114 HB3 TYR 447 HB1 TYR 447 -0.783 -0.046 2.571 115 HD1 TYR 447 HD1 TYR 447 -1.188 2.674 2.420 116 HD2 TYR 447 HD2 TYR 447 -4.200 -0.322 2.425 117 HE1 TYR 447 HE1 TYR 447 -2.808 4.324 3.244 118 HE2 TYR 447 HE2 TYR 447 -5.837 1.317 3.243 119 HH TYR 447 HH TYR 447 -5.924 3.436 4.383 120 H TYR 448 HN TYR 448 0.991 0.261 -1.064 121 HA TYR 448 HA TYR 448 0.409 -2.420 -1.991 122 HB2 TYR 448 HB2 TYR 448 1.071 -1.020 -3.736 123 HB3 TYR 448 HB1 TYR 448 2.349 -0.273 -2.789 124 HD1 TYR 448 HD1 TYR 448 1.401 -3.481 -4.452 125 HD2 TYR 448 HD2 TYR 448 4.546 -1.006 -3.001 126 HE1 TYR 448 HE1 TYR 448 3.056 -4.976 -5.496 127 HE2 TYR 448 HE2 TYR 448 6.204 -2.493 -4.036 128 HH TYR 448 HH TYR 448 5.403 -4.838 -6.324 129 H ASN 449 HN ASN 449 1.201 -4.167 -1.054 130 HA ASN 449 HA ASN 449 3.437 -3.934 0.803 131 HB2 ASN 449 HB2 ASN 449 1.639 -5.110 1.761 132 HB3 ASN 449 HB1 ASN 449 1.345 -6.033 0.290 133 HD21 ASN 449 HD21 ASN 449 3.559 -5.594 2.987 134 HD22 ASN 449 HD22 ASN 449 4.200 -7.200 2.942 135 H ASN 450 HN ASN 450 5.396 -4.740 0.432 136 HA ASN 450 HA ASN 450 5.923 -5.809 -2.232 137 HB2 ASN 450 HB2 ASN 450 8.319 -5.350 -1.636 138 HB3 ASN 450 HB1 ASN 450 7.287 -3.922 -1.618 139 HD21 ASN 450 HD21 ASN 450 9.176 -6.126 0.296 140 HD22 ASN 450 HD22 ASN 450 9.102 -5.214 1.765 141 H ARG 451 HN ARG 451 5.331 -6.971 0.807 142 HA ARG 451 HA ARG 451 7.299 -9.015 0.984 143 HB2 ARG 451 HB2 ARG 451 4.667 -8.645 2.384 144 HB3 ARG 451 HB1 ARG 451 5.715 -10.025 2.688 145 HG2 ARG 451 HG2 ARG 451 6.392 -7.123 3.118 146 HG3 ARG 451 HG1 ARG 451 6.092 -8.339 4.364 147 HD2 ARG 451 HD2 ARG 451 8.045 -9.589 3.634 148 HD3 ARG 451 HD1 ARG 451 8.327 -8.429 2.339 149 HE ARG 451 HE ARG 451 8.355 -7.486 5.117 150 HH11 ARG 451 HH11 ARG 451 10.004 -8.099 2.088 151 HH12 ARG 451 HH12 ARG 451 11.485 -7.338 2.585 152 HH21 ARG 451 HH21 ARG 451 10.325 -6.517 5.791 153 HH22 ARG 451 HH22 ARG 451 11.678 -6.466 4.698 154 H THR 452 HN THR 452 3.794 -9.431 0.527 155 HA THR 452 HA THR 452 4.388 -11.820 -1.064 156 HB THR 452 HB THR 452 2.839 -12.148 0.822 157 HG1 THR 452 HG1 THR 452 1.905 -12.453 -1.833 158 HG21 THR 452 HG21 THR 452 0.593 -11.170 0.764 159 HG22 THR 452 HG22 THR 452 1.039 -10.227 -0.658 160 HG23 THR 452 HG23 THR 452 1.833 -9.922 0.888 161 H LEU 453 HN LEU 453 3.995 -8.661 -1.540 162 HA LEU 453 HA LEU 453 3.571 -7.339 -3.330 163 HB2 LEU 453 HB2 LEU 453 3.045 -9.924 -4.809 164 HB3 LEU 453 HB1 LEU 453 3.236 -8.345 -5.548 165 HG LEU 453 HG LEU 453 5.374 -9.841 -4.027 166 HD11 LEU 453 HD11 LEU 453 4.902 -10.870 -6.169 167 HD12 LEU 453 HD12 LEU 453 6.457 -10.040 -6.217 168 HD13 LEU 453 HD13 LEU 453 5.042 -9.307 -6.974 169 HD21 LEU 453 HD21 LEU 453 6.871 -8.077 -4.823 170 HD22 LEU 453 HD22 LEU 453 5.608 -7.436 -3.772 171 HD23 LEU 453 HD23 LEU 453 5.493 -7.225 -5.520 172 H GLU 454 HN GLU 454 1.684 -7.582 -1.476 173 HA GLU 454 HA GLU 454 -0.875 -8.238 -2.717 174 HB2 GLU 454 HB2 GLU 454 -0.410 -9.077 -0.446 175 HB3 GLU 454 HB1 GLU 454 -0.200 -7.426 0.122 176 HG2 GLU 454 HG2 GLU 454 -2.553 -6.967 -0.491 177 HG3 GLU 454 HG1 GLU 454 -2.733 -8.668 -0.916 178 H SER 455 HN SER 455 -2.382 -6.712 -3.283 179 HA SER 455 HA SER 455 -1.701 -3.906 -2.850 180 HB2 SER 455 HB2 SER 455 -2.510 -4.771 -5.105 181 HB3 SER 455 HB1 SER 455 -4.086 -5.015 -4.356 182 HG SER 455 HG SER 455 -2.676 -2.594 -4.793 183 H THR 456 HN THR 456 -2.203 -3.283 -0.847 184 HA THR 456 HA THR 456 -4.578 -4.399 0.465 185 HB THR 456 HB THR 456 -2.358 -2.796 1.747 186 HG1 THR 456 HG1 THR 456 -2.520 -5.650 1.671 187 HG21 THR 456 HG21 THR 456 -3.093 -3.916 3.792 188 HG22 THR 456 HG22 THR 456 -4.329 -4.785 2.880 189 HG23 THR 456 HG23 THR 456 -4.425 -3.032 3.048 190 H TRP 457 HN TRP 457 -6.351 -3.138 0.622 191 HA TRP 457 HA TRP 457 -5.938 -0.222 0.629 192 HB2 TRP 457 HB2 TRP 457 -8.171 -1.804 -0.654 193 HB3 TRP 457 HB1 TRP 457 -8.162 -0.044 -0.503 194 HD1 TRP 457 HD1 TRP 457 -5.991 -2.838 -2.090 195 HE1 TRP 457 HE1 TRP 457 -4.780 -1.857 -4.133 196 HE3 TRP 457 HE3 TRP 457 -7.619 1.987 -1.731 197 HZ2 TRP 457 HZ2 TRP 457 -4.552 0.637 -5.424 198 HZ3 TRP 457 HZ3 TRP 457 -6.871 3.609 -3.417 199 HH2 TRP 457 HH2 TRP 457 -5.375 2.948 -5.232 200 H GLU 458 HN GLU 458 -6.712 -2.647 2.601 201 HA GLU 458 HA GLU 458 -8.498 -0.966 4.218 202 HB2 GLU 458 HB2 GLU 458 -8.093 -3.970 4.320 203 HB3 GLU 458 HB1 GLU 458 -9.115 -3.054 5.415 204 HG2 GLU 458 HG2 GLU 458 -10.605 -3.969 3.895 205 HG3 GLU 458 HG1 GLU 458 -10.387 -2.319 3.323 206 H LYS 459 HN LYS 459 -7.505 -0.053 5.940 207 HA LYS 459 HA LYS 459 -4.775 -0.739 6.509 208 HB2 LYS 459 HB2 LYS 459 -6.679 1.269 7.686 209 HB3 LYS 459 HB1 LYS 459 -5.086 0.993 8.380 210 HG2 LYS 459 HG2 LYS 459 -4.067 1.557 6.218 211 HG3 LYS 459 HG1 LYS 459 -5.671 1.883 5.564 212 HD2 LYS 459 HD2 LYS 459 -4.652 3.965 6.181 213 HD3 LYS 459 HD1 LYS 459 -5.969 3.629 7.305 214 HE2 LYS 459 HE2 LYS 459 -4.033 4.476 8.493 215 HE3 LYS 459 HE1 LYS 459 -4.350 2.804 8.943 216 HZ1 LYS 459 HZ1 LYS 459 -1.969 3.382 8.544 217 HZ2 LYS 459 HZ2 LYS 459 -2.330 3.572 6.898 218 HZ3 LYS 459 HZ3 LYS 459 -2.535 2.062 7.648 219 HA PRO 460 HA PRO 460 -5.882 -3.772 9.615 220 HB2 PRO 460 HB2 PRO 460 -3.376 -4.662 10.062 221 HB3 PRO 460 HB1 PRO 460 -4.286 -5.104 8.612 222 HG2 PRO 460 HG2 PRO 460 -2.141 -3.051 8.950 223 HG3 PRO 460 HG1 PRO 460 -2.406 -4.187 7.615 224 HD2 PRO 460 HD2 PRO 460 -3.143 -1.546 7.546 225 HD3 PRO 460 HD1 PRO 460 -3.935 -2.823 6.600 Start of MODEL 10 1 H1 SER 433 HT1 SER 433 10.654 -1.345 5.208 2 H2 SER 433 HT2 SER 433 10.724 0.338 5.011 3 H3 SER 433 HT3 SER 433 10.344 -0.652 3.692 4 HA SER 433 HA SER 433 8.703 -0.272 6.123 5 HB2 SER 433 HB2 SER 433 8.260 0.590 3.251 6 HB3 SER 433 HB1 SER 433 7.113 0.806 4.573 7 HG SER 433 HG SER 433 8.169 2.503 5.189 8 H GLU 434 HN GLU 434 7.408 -1.937 6.560 9 HA GLU 434 HA GLU 434 7.298 -4.245 4.895 10 HB2 GLU 434 HB2 GLU 434 7.054 -4.206 7.420 11 HB3 GLU 434 HB1 GLU 434 5.430 -3.582 7.177 12 HG2 GLU 434 HG2 GLU 434 5.249 -5.913 7.533 13 HG3 GLU 434 HG1 GLU 434 4.934 -5.620 5.825 14 H TRP 435 HN TRP 435 4.882 -1.821 5.826 15 HA TRP 435 HA TRP 435 3.422 -2.405 3.338 16 HB2 TRP 435 HB2 TRP 435 2.409 -0.811 5.701 17 HB3 TRP 435 HB1 TRP 435 1.472 -1.452 4.357 18 HD1 TRP 435 HD1 TRP 435 2.122 -2.145 7.850 19 HE1 TRP 435 HE1 TRP 435 1.560 -4.580 8.466 20 HE3 TRP 435 HE3 TRP 435 1.814 -4.128 3.147 21 HZ2 TRP 435 HZ2 TRP 435 1.049 -7.015 7.137 22 HZ3 TRP 435 HZ3 TRP 435 1.299 -6.522 2.910 23 HH2 TRP 435 HH2 TRP 435 0.911 -7.930 4.858 24 H THR 436 HN THR 436 3.434 -0.840 1.772 25 HA THR 436 HA THR 436 4.981 1.560 2.337 26 HB THR 436 HB THR 436 3.875 0.500 -0.277 27 HG1 THR 436 HG1 THR 436 5.611 -0.723 0.703 28 HG21 THR 436 HG21 THR 436 4.100 2.913 -0.411 29 HG22 THR 436 HG22 THR 436 5.403 2.155 -1.329 30 HG23 THR 436 HG23 THR 436 5.725 2.829 0.268 31 H GLU 437 HN GLU 437 3.793 3.089 3.336 32 HA GLU 437 HA GLU 437 1.093 3.671 2.402 33 HB2 GLU 437 HB2 GLU 437 2.467 5.446 4.367 34 HB3 GLU 437 HB1 GLU 437 0.795 4.916 4.320 35 HG2 GLU 437 HG2 GLU 437 1.453 3.725 6.110 36 HG3 GLU 437 HG1 GLU 437 1.948 2.577 4.864 37 H ARG 438 HN ARG 438 1.094 4.697 0.495 38 HA ARG 438 HA ARG 438 2.559 7.212 0.316 39 HB2 ARG 438 HB2 ARG 438 3.987 5.462 -0.702 40 HB3 ARG 438 HB1 ARG 438 2.674 5.038 -1.789 41 HG2 ARG 438 HG2 ARG 438 2.847 7.090 -2.948 42 HG3 ARG 438 HG1 ARG 438 3.912 7.770 -1.714 43 HD2 ARG 438 HD2 ARG 438 4.565 5.439 -3.517 44 HD3 ARG 438 HD1 ARG 438 5.165 7.089 -3.705 45 HE ARG 438 HE ARG 438 5.957 6.521 -1.212 46 HH11 ARG 438 HH11 ARG 438 6.239 4.634 -4.165 47 HH12 ARG 438 HH12 ARG 438 7.709 3.856 -3.658 48 HH21 ARG 438 HH21 ARG 438 7.865 5.476 -0.567 49 HH22 ARG 438 HH22 ARG 438 8.617 4.319 -1.628 50 H LYS 439 HN LYS 439 1.412 8.783 -1.053 51 HA LYS 439 HA LYS 439 -1.238 7.784 -1.785 52 HB2 LYS 439 HB2 LYS 439 -1.982 10.147 -1.726 53 HB3 LYS 439 HB1 LYS 439 -1.433 9.533 -0.177 54 HG2 LYS 439 HG2 LYS 439 0.665 10.712 -0.422 55 HG3 LYS 439 HG1 LYS 439 0.180 11.281 -2.020 56 HD2 LYS 439 HD2 LYS 439 -0.257 13.086 -0.570 57 HD3 LYS 439 HD1 LYS 439 -1.826 12.340 -0.863 58 HE2 LYS 439 HE2 LYS 439 -0.110 11.791 1.557 59 HE3 LYS 439 HE1 LYS 439 -1.408 12.978 1.515 60 HZ1 LYS 439 HZ1 LYS 439 -2.122 10.886 2.495 61 HZ2 LYS 439 HZ2 LYS 439 -1.735 10.059 1.076 62 HZ3 LYS 439 HZ3 LYS 439 -2.985 11.200 1.069 63 H THR 440 HN THR 440 -1.762 7.542 -3.715 64 HA THR 440 HA THR 440 -0.059 8.487 -5.865 65 HB THR 440 HB THR 440 -0.739 6.153 -5.936 66 HG1 THR 440 HG1 THR 440 -0.947 6.271 -8.029 67 HG21 THR 440 HG21 THR 440 -3.092 5.516 -6.251 68 HG22 THR 440 HG22 THR 440 -3.569 7.198 -6.016 69 HG23 THR 440 HG23 THR 440 -2.825 6.298 -4.693 70 H ALA 441 HN ALA 441 -0.870 9.655 -7.661 71 HA ALA 441 HA ALA 441 -2.428 11.880 -6.989 72 HB1 ALA 441 HB1 ALA 441 -0.729 11.884 -8.747 73 HB2 ALA 441 HB2 ALA 441 -2.277 12.494 -9.331 74 HB3 ALA 441 HB3 ALA 441 -1.760 10.858 -9.744 75 H ASP 442 HN ASP 442 -3.504 8.788 -7.648 76 HA ASP 442 HA ASP 442 -6.009 9.315 -8.868 77 HB2 ASP 442 HB2 ASP 442 -4.953 7.056 -8.643 78 HB3 ASP 442 HB1 ASP 442 -5.313 7.106 -6.921 79 H GLY 443 HN GLY 443 -4.731 10.110 -5.857 80 HA2 GLY 443 HA2 GLY 443 -5.743 11.531 -4.297 81 HA3 GLY 443 HA1 GLY 443 -7.316 11.118 -4.963 82 H LYS 444 HN LYS 444 -4.896 8.771 -3.998 83 HA LYS 444 HA LYS 444 -6.500 8.057 -1.649 84 HB2 LYS 444 HB2 LYS 444 -5.804 6.190 -3.917 85 HB3 LYS 444 HB1 LYS 444 -6.394 5.651 -2.352 86 HG2 LYS 444 HG2 LYS 444 -8.482 6.858 -2.717 87 HG3 LYS 444 HG1 LYS 444 -7.887 7.415 -4.284 88 HD2 LYS 444 HD2 LYS 444 -7.698 5.083 -5.026 89 HD3 LYS 444 HD1 LYS 444 -8.320 4.544 -3.467 90 HE2 LYS 444 HE2 LYS 444 -10.058 4.549 -5.190 91 HE3 LYS 444 HE1 LYS 444 -10.419 5.677 -3.883 92 HZ1 LYS 444 HZ1 LYS 444 -9.900 7.501 -5.216 93 HZ2 LYS 444 HZ2 LYS 444 -10.769 6.475 -6.251 94 HZ3 LYS 444 HZ3 LYS 444 -9.079 6.559 -6.369 95 H THR 445 HN THR 445 -5.340 7.236 0.018 96 HA THR 445 HA THR 445 -2.474 6.913 -0.293 97 HB THR 445 HB THR 445 -4.132 6.550 2.202 98 HG1 THR 445 HG1 THR 445 -3.948 8.667 2.547 99 HG21 THR 445 HG21 THR 445 -1.903 5.535 2.312 100 HG22 THR 445 HG22 THR 445 -2.011 6.945 3.365 101 HG23 THR 445 HG23 THR 445 -1.177 7.066 1.816 102 H TYR 446 HN TYR 446 -1.990 5.005 -1.297 103 HA TYR 446 HA TYR 446 -3.534 2.648 -0.497 104 HB2 TYR 446 HB2 TYR 446 -3.059 1.678 -2.586 105 HB3 TYR 446 HB1 TYR 446 -3.447 3.355 -2.927 106 HD1 TYR 446 HD1 TYR 446 -1.327 4.960 -3.119 107 HD2 TYR 446 HD2 TYR 446 -1.231 0.732 -3.581 108 HE1 TYR 446 HE1 TYR 446 0.745 5.151 -4.437 109 HE2 TYR 446 HE2 TYR 446 0.838 0.911 -4.889 110 HH TYR 446 HH TYR 446 2.728 3.652 -4.990 111 H TYR 447 HN TYR 447 -2.539 0.773 0.176 112 HA TYR 447 HA TYR 447 0.253 1.150 0.990 113 HB2 TYR 447 HB2 TYR 447 -1.749 -0.746 2.227 114 HB3 TYR 447 HB1 TYR 447 -0.193 -0.239 2.887 115 HD1 TYR 447 HD1 TYR 447 0.084 2.128 3.678 116 HD2 TYR 447 HD2 TYR 447 -3.706 0.552 2.560 117 HE1 TYR 447 HE1 TYR 447 -1.021 4.013 4.796 118 HE2 TYR 447 HE2 TYR 447 -4.821 2.429 3.688 119 HH TYR 447 HH TYR 447 -4.435 4.102 5.318 120 H TYR 448 HN TYR 448 1.346 0.287 -0.715 121 HA TYR 448 HA TYR 448 0.583 -2.286 -1.777 122 HB2 TYR 448 HB2 TYR 448 1.442 -0.420 -3.213 123 HB3 TYR 448 HB1 TYR 448 3.011 -0.608 -2.438 124 HD1 TYR 448 HD1 TYR 448 0.554 -2.207 -4.666 125 HD2 TYR 448 HD2 TYR 448 4.488 -2.390 -3.054 126 HE1 TYR 448 HE1 TYR 448 1.147 -3.930 -6.317 127 HE2 TYR 448 HE2 TYR 448 5.088 -4.113 -4.699 128 HH TYR 448 HH TYR 448 3.198 -4.822 -7.400 129 H ASN 449 HN ASN 449 1.409 -4.170 -1.213 130 HA ASN 449 HA ASN 449 3.565 -4.283 0.770 131 HB2 ASN 449 HB2 ASN 449 1.536 -5.325 1.506 132 HB3 ASN 449 HB1 ASN 449 1.339 -6.168 -0.025 133 HD21 ASN 449 HD21 ASN 449 1.125 -8.114 1.124 134 HD22 ASN 449 HD22 ASN 449 2.506 -8.921 1.784 135 H ASN 450 HN ASN 450 5.506 -5.108 0.215 136 HA ASN 450 HA ASN 450 5.839 -6.024 -2.530 137 HB2 ASN 450 HB2 ASN 450 7.348 -4.282 -1.498 138 HB3 ASN 450 HB1 ASN 450 7.990 -5.548 -0.460 139 HD21 ASN 450 HD21 ASN 450 9.395 -7.068 -1.315 140 HD22 ASN 450 HD22 ASN 450 10.067 -6.930 -2.901 141 H ARG 451 HN ARG 451 5.443 -7.339 0.549 142 HA ARG 451 HA ARG 451 7.092 -9.631 0.345 143 HB2 ARG 451 HB2 ARG 451 4.561 -9.243 1.940 144 HB3 ARG 451 HB1 ARG 451 5.679 -10.584 2.132 145 HG2 ARG 451 HG2 ARG 451 6.410 -7.696 2.556 146 HG3 ARG 451 HG1 ARG 451 5.906 -8.799 3.838 147 HD2 ARG 451 HD2 ARG 451 7.808 -10.286 3.214 148 HD3 ARG 451 HD1 ARG 451 8.346 -9.043 2.080 149 HE ARG 451 HE ARG 451 8.037 -7.781 4.527 150 HH11 ARG 451 HH11 ARG 451 10.043 -10.369 3.223 151 HH12 ARG 451 HH12 ARG 451 11.345 -10.080 4.342 152 HH21 ARG 451 HH21 ARG 451 9.721 -7.424 5.980 153 HH22 ARG 451 HH22 ARG 451 11.161 -8.398 5.916 154 H THR 452 HN THR 452 3.747 -8.991 -0.529 155 HA THR 452 HA THR 452 3.626 -11.637 -1.820 156 HB THR 452 HB THR 452 1.160 -10.163 -0.952 157 HG1 THR 452 HG1 THR 452 1.409 -11.498 1.045 158 HG21 THR 452 HG21 THR 452 0.940 -12.181 -2.340 159 HG22 THR 452 HG22 THR 452 0.277 -12.439 -0.725 160 HG23 THR 452 HG23 THR 452 1.858 -13.098 -1.145 161 H LEU 453 HN LEU 453 4.008 -8.479 -2.529 162 HA LEU 453 HA LEU 453 3.519 -7.054 -4.239 163 HB2 LEU 453 HB2 LEU 453 2.659 -9.594 -5.638 164 HB3 LEU 453 HB1 LEU 453 2.903 -8.043 -6.420 165 HG LEU 453 HG LEU 453 5.042 -9.687 -5.061 166 HD11 LEU 453 HD11 LEU 453 4.533 -9.110 -7.975 167 HD12 LEU 453 HD12 LEU 453 4.311 -10.660 -7.164 168 HD13 LEU 453 HD13 LEU 453 5.927 -9.972 -7.324 169 HD21 LEU 453 HD21 LEU 453 5.259 -7.091 -6.585 170 HD22 LEU 453 HD22 LEU 453 6.605 -8.034 -5.946 171 HD23 LEU 453 HD23 LEU 453 5.451 -7.283 -4.843 172 H GLU 454 HN GLU 454 1.624 -7.735 -2.207 173 HA GLU 454 HA GLU 454 -1.012 -7.823 -3.427 174 HB2 GLU 454 HB2 GLU 454 -0.770 -9.277 -1.590 175 HB3 GLU 454 HB1 GLU 454 0.096 -8.082 -0.641 176 HG2 GLU 454 HG2 GLU 454 -1.974 -6.800 -0.384 177 HG3 GLU 454 HG1 GLU 454 -2.834 -8.028 -1.310 178 H SER 455 HN SER 455 -2.422 -6.105 -3.466 179 HA SER 455 HA SER 455 -1.382 -3.574 -2.408 180 HB2 SER 455 HB2 SER 455 -3.611 -4.017 -4.404 181 HB3 SER 455 HB1 SER 455 -2.888 -2.471 -3.958 182 HG SER 455 HG SER 455 -1.098 -4.388 -4.799 183 H THR 456 HN THR 456 -2.099 -3.130 -0.428 184 HA THR 456 HA THR 456 -4.810 -3.953 0.345 185 HB THR 456 HB THR 456 -2.630 -2.924 2.172 186 HG1 THR 456 HG1 THR 456 -3.068 -5.640 2.159 187 HG21 THR 456 HG21 THR 456 -4.884 -2.939 3.114 188 HG22 THR 456 HG22 THR 456 -3.883 -4.173 3.877 189 HG23 THR 456 HG23 THR 456 -5.073 -4.632 2.660 190 H TRP 457 HN TRP 457 -6.358 -2.424 0.451 191 HA TRP 457 HA TRP 457 -5.468 0.383 0.395 192 HB2 TRP 457 HB2 TRP 457 -7.855 -0.924 -0.925 193 HB3 TRP 457 HB1 TRP 457 -7.607 0.825 -0.860 194 HD1 TRP 457 HD1 TRP 457 -5.627 -2.294 -2.057 195 HE1 TRP 457 HE1 TRP 457 -4.242 -1.626 -4.117 196 HE3 TRP 457 HE3 TRP 457 -6.921 2.646 -2.351 197 HZ2 TRP 457 HZ2 TRP 457 -3.728 0.661 -5.630 198 HZ3 TRP 457 HZ3 TRP 457 -5.952 3.996 -4.168 199 HH2 TRP 457 HH2 TRP 457 -4.399 3.028 -5.779 200 H GLU 458 HN GLU 458 -6.805 -1.802 2.381 201 HA GLU 458 HA GLU 458 -8.130 0.295 3.958 202 HB2 GLU 458 HB2 GLU 458 -9.262 -1.616 5.152 203 HB3 GLU 458 HB1 GLU 458 -9.764 -1.389 3.484 204 HG2 GLU 458 HG2 GLU 458 -7.629 -3.365 4.186 205 HG3 GLU 458 HG1 GLU 458 -9.335 -3.773 4.356 206 H LYS 459 HN LYS 459 -7.236 0.757 5.910 207 HA LYS 459 HA LYS 459 -4.699 -0.381 6.539 208 HB2 LYS 459 HB2 LYS 459 -6.449 1.667 7.825 209 HB3 LYS 459 HB1 LYS 459 -5.097 0.996 8.729 210 HG2 LYS 459 HG2 LYS 459 -3.596 1.659 6.876 211 HG3 LYS 459 HG1 LYS 459 -4.971 2.442 6.098 212 HD2 LYS 459 HD2 LYS 459 -3.549 4.015 7.361 213 HD3 LYS 459 HD1 LYS 459 -5.212 3.967 7.951 214 HE2 LYS 459 HE2 LYS 459 -3.584 4.030 9.787 215 HE3 LYS 459 HE1 LYS 459 -4.538 2.549 9.805 216 HZ1 LYS 459 HZ1 LYS 459 -1.850 2.689 8.560 217 HZ2 LYS 459 HZ2 LYS 459 -2.737 1.306 8.997 218 HZ3 LYS 459 HZ3 LYS 459 -2.080 2.308 10.194 219 HA PRO 460 HA PRO 460 -6.089 -3.909 9.035 220 HB2 PRO 460 HB2 PRO 460 -3.229 -3.571 9.816 221 HB3 PRO 460 HB1 PRO 460 -4.109 -5.041 9.382 222 HG2 PRO 460 HG2 PRO 460 -2.415 -3.895 7.668 223 HG3 PRO 460 HG1 PRO 460 -3.925 -4.641 7.113 224 HD2 PRO 460 HD2 PRO 460 -3.222 -1.763 7.386 225 HD3 PRO 460 HD1 PRO 460 -4.298 -2.567 6.224 Start of MODEL 11 1 H1 SER 433 HT1 SER 433 7.101 2.105 5.531 2 H2 SER 433 HT2 SER 433 6.007 0.829 5.357 3 H3 SER 433 HT3 SER 433 6.929 1.337 4.032 4 HA SER 433 HA SER 433 8.946 0.632 5.105 5 HB2 SER 433 HB2 SER 433 8.641 -0.773 7.222 6 HB3 SER 433 HB1 SER 433 8.469 0.974 7.396 7 HG SER 433 HG SER 433 6.739 0.143 8.428 8 H GLU 434 HN GLU 434 6.981 -1.893 6.424 9 HA GLU 434 HA GLU 434 7.676 -3.750 4.383 10 HB2 GLU 434 HB2 GLU 434 5.577 -3.871 6.560 11 HB3 GLU 434 HB1 GLU 434 5.926 -5.209 5.478 12 HG2 GLU 434 HG2 GLU 434 7.027 -5.571 7.564 13 HG3 GLU 434 HG1 GLU 434 8.236 -5.249 6.326 14 H TRP 435 HN TRP 435 4.837 -1.887 5.167 15 HA TRP 435 HA TRP 435 3.536 -2.580 2.652 16 HB2 TRP 435 HB2 TRP 435 2.579 -0.573 4.708 17 HB3 TRP 435 HB1 TRP 435 1.621 -1.458 3.528 18 HD1 TRP 435 HD1 TRP 435 2.496 -1.501 7.097 19 HE1 TRP 435 HE1 TRP 435 1.829 -3.740 8.196 20 HE3 TRP 435 HE3 TRP 435 1.623 -4.232 2.882 21 HZ2 TRP 435 HZ2 TRP 435 1.034 -6.326 7.364 22 HZ3 TRP 435 HZ3 TRP 435 0.934 -6.579 3.110 23 HH2 TRP 435 HH2 TRP 435 0.628 -7.602 5.293 24 H THR 436 HN THR 436 3.293 -1.045 0.985 25 HA THR 436 HA THR 436 5.085 1.244 1.141 26 HB THR 436 HB THR 436 3.383 0.259 -1.162 27 HG1 THR 436 HG1 THR 436 5.044 -1.190 -0.724 28 HG21 THR 436 HG21 THR 436 5.542 2.370 -1.087 29 HG22 THR 436 HG22 THR 436 3.821 2.640 -1.371 30 HG23 THR 436 HG23 THR 436 4.779 1.745 -2.550 31 H GLU 437 HN GLU 437 4.154 2.792 2.393 32 HA GLU 437 HA GLU 437 1.362 3.470 1.952 33 HB2 GLU 437 HB2 GLU 437 3.262 4.943 3.781 34 HB3 GLU 437 HB1 GLU 437 1.510 4.870 3.870 35 HG2 GLU 437 HG2 GLU 437 2.030 3.469 5.573 36 HG3 GLU 437 HG1 GLU 437 1.985 2.303 4.253 37 H ARG 438 HN ARG 438 1.349 4.333 -0.104 38 HA ARG 438 HA ARG 438 3.028 6.714 -0.474 39 HB2 ARG 438 HB2 ARG 438 3.717 5.041 -2.033 40 HB3 ARG 438 HB1 ARG 438 2.054 4.689 -2.490 41 HG2 ARG 438 HG2 ARG 438 1.853 6.863 -3.542 42 HG3 ARG 438 HG1 ARG 438 3.482 7.290 -3.018 43 HD2 ARG 438 HD2 ARG 438 2.834 4.970 -4.827 44 HD3 ARG 438 HD1 ARG 438 3.313 6.566 -5.399 45 HE ARG 438 HE ARG 438 5.273 5.801 -3.620 46 HH11 ARG 438 HH11 ARG 438 3.929 4.501 -6.583 47 HH12 ARG 438 HH12 ARG 438 5.433 3.805 -7.109 48 HH21 ARG 438 HH21 ARG 438 7.244 4.897 -4.312 49 HH22 ARG 438 HH22 ARG 438 7.319 4.041 -5.820 50 H LYS 439 HN LYS 439 1.831 8.703 -0.859 51 HA LYS 439 HA LYS 439 -1.051 8.399 -1.063 52 HB2 LYS 439 HB2 LYS 439 0.113 10.051 0.504 53 HB3 LYS 439 HB1 LYS 439 0.496 10.983 -0.940 54 HG2 LYS 439 HG2 LYS 439 -1.866 11.223 -1.433 55 HG3 LYS 439 HG1 LYS 439 -2.271 10.246 -0.020 56 HD2 LYS 439 HD2 LYS 439 -0.964 11.974 1.332 57 HD3 LYS 439 HD1 LYS 439 -1.043 12.987 -0.114 58 HE2 LYS 439 HE2 LYS 439 -2.858 13.543 1.380 59 HE3 LYS 439 HE1 LYS 439 -3.494 12.793 -0.085 60 HZ1 LYS 439 HZ1 LYS 439 -3.101 11.464 2.543 61 HZ2 LYS 439 HZ2 LYS 439 -3.633 10.689 1.137 62 HZ3 LYS 439 HZ3 LYS 439 -4.586 11.894 1.846 63 H THR 440 HN THR 440 -1.911 8.220 -2.994 64 HA THR 440 HA THR 440 -0.376 9.004 -5.331 65 HB THR 440 HB THR 440 -3.081 7.675 -5.333 66 HG1 THR 440 HG1 THR 440 -0.899 6.790 -4.123 67 HG21 THR 440 HG21 THR 440 -0.697 7.609 -7.187 68 HG22 THR 440 HG22 THR 440 -2.298 8.275 -7.524 69 HG23 THR 440 HG23 THR 440 -2.087 6.531 -7.327 70 H ALA 441 HN ALA 441 -0.999 10.498 -6.848 71 HA ALA 441 HA ALA 441 -2.558 12.693 -5.910 72 HB1 ALA 441 HB1 ALA 441 -0.583 12.998 -7.318 73 HB2 ALA 441 HB2 ALA 441 -2.010 13.736 -8.043 74 HB3 ALA 441 HB3 ALA 441 -1.410 12.195 -8.654 75 H ASP 442 HN ASP 442 -3.578 9.831 -7.068 76 HA ASP 442 HA ASP 442 -5.849 10.779 -8.589 77 HB2 ASP 442 HB2 ASP 442 -4.756 8.557 -9.007 78 HB3 ASP 442 HB1 ASP 442 -5.344 8.023 -7.435 79 H GLY 443 HN GLY 443 -5.034 11.092 -5.517 80 HA2 GLY 443 HA2 GLY 443 -6.362 12.073 -3.880 81 HA3 GLY 443 HA1 GLY 443 -7.794 11.533 -4.743 82 H LYS 444 HN LYS 444 -5.323 9.210 -4.095 83 HA LYS 444 HA LYS 444 -6.707 8.206 -1.736 84 HB2 LYS 444 HB2 LYS 444 -6.529 6.688 -4.342 85 HB3 LYS 444 HB1 LYS 444 -6.856 5.909 -2.800 86 HG2 LYS 444 HG2 LYS 444 -8.882 7.227 -2.539 87 HG3 LYS 444 HG1 LYS 444 -8.547 8.064 -4.056 88 HD2 LYS 444 HD2 LYS 444 -8.981 5.090 -3.792 89 HD3 LYS 444 HD1 LYS 444 -10.223 6.243 -4.271 90 HE2 LYS 444 HE2 LYS 444 -7.627 5.791 -5.735 91 HE3 LYS 444 HE1 LYS 444 -9.178 5.087 -6.187 92 HZ1 LYS 444 HZ1 LYS 444 -8.602 7.993 -6.050 93 HZ2 LYS 444 HZ2 LYS 444 -10.064 7.288 -6.529 94 HZ3 LYS 444 HZ3 LYS 444 -8.667 7.073 -7.472 95 H THR 445 HN THR 445 -5.358 7.271 -0.349 96 HA THR 445 HA THR 445 -2.569 6.890 -1.105 97 HB THR 445 HB THR 445 -3.850 6.554 1.615 98 HG1 THR 445 HG1 THR 445 -3.582 8.684 1.928 99 HG21 THR 445 HG21 THR 445 -1.641 5.536 1.415 100 HG22 THR 445 HG22 THR 445 -1.569 6.967 2.444 101 HG23 THR 445 HG23 THR 445 -0.988 7.045 0.782 102 H TYR 446 HN TYR 446 -1.827 4.892 -1.697 103 HA TYR 446 HA TYR 446 -3.500 2.596 -0.932 104 HB2 TYR 446 HB2 TYR 446 -2.827 1.455 -2.897 105 HB3 TYR 446 HB1 TYR 446 -3.260 3.080 -3.392 106 HD1 TYR 446 HD2 TYR 446 -0.417 0.792 -2.791 107 HD2 TYR 446 HD1 TYR 446 -1.687 4.475 -4.512 108 HE1 TYR 446 HE2 TYR 446 1.721 0.965 -3.985 109 HE2 TYR 446 HE1 TYR 446 0.447 4.647 -5.713 110 HH TYR 446 HH TYR 446 2.605 2.071 -6.015 111 H TYR 447 HN TYR 447 -2.524 0.675 -0.247 112 HA TYR 447 HA TYR 447 0.250 1.010 0.673 113 HB2 TYR 447 HB2 TYR 447 -1.740 -0.813 2.017 114 HB3 TYR 447 HB1 TYR 447 -0.234 -0.168 2.661 115 HD1 TYR 447 HD1 TYR 447 -0.133 2.335 3.178 116 HD2 TYR 447 HD2 TYR 447 -3.778 0.299 2.376 117 HE1 TYR 447 HE1 TYR 447 -1.380 4.189 4.190 118 HE2 TYR 447 HE2 TYR 447 -5.036 2.136 3.408 119 HH TYR 447 HH TYR 447 -4.742 3.976 4.913 120 H TYR 448 HN TYR 448 1.194 0.068 -1.090 121 HA TYR 448 HA TYR 448 0.402 -2.582 -1.940 122 HB2 TYR 448 HB2 TYR 448 0.978 -1.222 -3.740 123 HB3 TYR 448 HB1 TYR 448 2.354 -0.526 -2.902 124 HD1 TYR 448 HD2 TYR 448 1.397 -4.068 -3.709 125 HD2 TYR 448 HD1 TYR 448 4.273 -0.949 -4.071 126 HE1 TYR 448 HE2 TYR 448 2.922 -5.605 -4.882 127 HE2 TYR 448 HE1 TYR 448 5.793 -2.481 -5.249 128 HH TYR 448 HH TYR 448 4.769 -5.572 -6.381 129 H ASN 449 HN ASN 449 1.167 -4.375 -1.071 130 HA ASN 449 HA ASN 449 3.514 -4.276 0.660 131 HB2 ASN 449 HB2 ASN 449 1.470 -5.290 1.553 132 HB3 ASN 449 HB1 ASN 449 1.442 -6.439 0.217 133 HD21 ASN 449 HD21 ASN 449 1.547 -8.204 1.591 134 HD22 ASN 449 HD22 ASN 449 2.987 -8.618 2.455 135 H ASN 450 HN ASN 450 5.403 -5.145 0.113 136 HA ASN 450 HA ASN 450 5.556 -6.694 -2.370 137 HB2 ASN 450 HB2 ASN 450 6.978 -4.655 -2.107 138 HB3 ASN 450 HB1 ASN 450 7.814 -5.451 -0.780 139 HD21 ASN 450 HD21 ASN 450 9.347 -7.006 -1.234 140 HD22 ASN 450 HD22 ASN 450 9.891 -7.346 -2.836 141 H ARG 451 HN ARG 451 5.281 -7.223 0.883 142 HA ARG 451 HA ARG 451 7.165 -9.324 1.247 143 HB2 ARG 451 HB2 ARG 451 4.670 -8.639 2.782 144 HB3 ARG 451 HB1 ARG 451 5.790 -9.908 3.254 145 HG2 ARG 451 HG2 ARG 451 6.418 -6.971 3.027 146 HG3 ARG 451 HG1 ARG 451 6.187 -7.879 4.522 147 HD2 ARG 451 HD2 ARG 451 8.128 -9.287 3.921 148 HD3 ARG 451 HD1 ARG 451 8.372 -8.301 2.481 149 HE ARG 451 HE ARG 451 8.623 -7.297 5.250 150 HH11 ARG 451 HH11 ARG 451 9.584 -7.293 1.877 151 HH12 ARG 451 HH12 ARG 451 10.797 -6.063 2.084 152 HH21 ARG 451 HH21 ARG 451 10.233 -5.695 5.536 153 HH22 ARG 451 HH22 ARG 451 11.162 -5.155 4.167 154 H THR 452 HN THR 452 3.722 -9.266 0.467 155 HA THR 452 HA THR 452 3.968 -12.069 -0.403 156 HB THR 452 HB THR 452 1.465 -12.186 -0.052 157 HG1 THR 452 HG1 THR 452 0.458 -10.565 0.992 158 HG21 THR 452 HG21 THR 452 3.027 -13.206 1.526 159 HG22 THR 452 HG22 THR 452 1.631 -12.534 2.370 160 HG23 THR 452 HG23 THR 452 3.172 -11.673 2.387 161 H LEU 453 HN LEU 453 3.963 -9.080 -1.543 162 HA LEU 453 HA LEU 453 3.243 -7.914 -3.335 163 HB2 LEU 453 HB2 LEU 453 2.837 -10.668 -4.509 164 HB3 LEU 453 HB1 LEU 453 2.786 -9.172 -5.421 165 HG LEU 453 HG LEU 453 5.196 -10.271 -3.970 166 HD11 LEU 453 HD11 LEU 453 4.590 -10.046 -6.918 167 HD12 LEU 453 HD12 LEU 453 4.630 -11.537 -5.975 168 HD13 LEU 453 HD13 LEU 453 6.107 -10.604 -6.209 169 HD21 LEU 453 HD21 LEU 453 6.417 -8.439 -5.055 170 HD22 LEU 453 HD22 LEU 453 5.176 -7.835 -3.954 171 HD23 LEU 453 HD23 LEU 453 4.898 -7.809 -5.694 172 H GLU 454 HN GLU 454 1.537 -7.249 -1.941 173 HA GLU 454 HA GLU 454 -1.106 -8.247 -2.731 174 HB2 GLU 454 HB2 GLU 454 -0.377 -9.294 -0.587 175 HB3 GLU 454 HB1 GLU 454 -0.231 -7.691 0.112 176 HG2 GLU 454 HG2 GLU 454 -2.613 -7.330 -0.144 177 HG3 GLU 454 HG1 GLU 454 -2.779 -8.891 -0.938 178 H SER 455 HN SER 455 -2.304 -6.527 -3.442 179 HA SER 455 HA SER 455 -1.462 -3.855 -2.674 180 HB2 SER 455 HB2 SER 455 -2.034 -4.487 -5.063 181 HB3 SER 455 HB1 SER 455 -3.715 -4.609 -4.551 182 HG SER 455 HG SER 455 -2.341 -2.438 -5.249 183 H THR 456 HN THR 456 -2.132 -3.333 -0.693 184 HA THR 456 HA THR 456 -4.856 -4.064 0.131 185 HB THR 456 HB THR 456 -2.681 -3.105 1.979 186 HG1 THR 456 HG1 THR 456 -2.467 -5.233 0.473 187 HG21 THR 456 HG21 THR 456 -4.932 -3.254 2.902 188 HG22 THR 456 HG22 THR 456 -3.908 -4.506 3.599 189 HG23 THR 456 HG23 THR 456 -5.074 -4.922 2.341 190 H TRP 457 HN TRP 457 -6.305 -2.455 0.038 191 HA TRP 457 HA TRP 457 -5.310 0.301 0.194 192 HB2 TRP 457 HB2 TRP 457 -7.814 -0.832 -1.070 193 HB3 TRP 457 HB1 TRP 457 -7.465 0.895 -0.943 194 HD1 TRP 457 HD1 TRP 457 -5.682 -2.259 -2.344 195 HE1 TRP 457 HE1 TRP 457 -4.384 -1.578 -4.453 196 HE3 TRP 457 HE3 TRP 457 -6.809 2.728 -2.407 197 HZ2 TRP 457 HZ2 TRP 457 -3.900 0.753 -5.942 198 HZ3 TRP 457 HZ3 TRP 457 -5.905 4.112 -4.235 199 HH2 TRP 457 HH2 TRP 457 -4.486 3.140 -5.970 200 H GLU 458 HN GLU 458 -6.695 -1.978 2.029 201 HA GLU 458 HA GLU 458 -8.024 -0.047 3.795 202 HB2 GLU 458 HB2 GLU 458 -8.909 -2.040 4.951 203 HB3 GLU 458 HB1 GLU 458 -9.336 -2.050 3.245 204 HG2 GLU 458 HG2 GLU 458 -7.400 -3.578 2.852 205 HG3 GLU 458 HG1 GLU 458 -7.198 -3.670 4.600 206 H LYS 459 HN LYS 459 -7.298 0.053 6.020 207 HA LYS 459 HA LYS 459 -4.477 -0.636 6.252 208 HB2 LYS 459 HB2 LYS 459 -6.261 1.183 7.851 209 HB3 LYS 459 HB1 LYS 459 -4.650 0.738 8.403 210 HG2 LYS 459 HG2 LYS 459 -3.764 1.608 6.231 211 HG3 LYS 459 HG1 LYS 459 -5.382 2.226 5.896 212 HD2 LYS 459 HD2 LYS 459 -3.922 3.953 6.829 213 HD3 LYS 459 HD1 LYS 459 -5.287 3.611 7.894 214 HE2 LYS 459 HE2 LYS 459 -3.840 2.197 9.276 215 HE3 LYS 459 HE1 LYS 459 -2.484 2.541 8.204 216 HZ1 LYS 459 HZ1 LYS 459 -2.426 3.919 10.188 217 HZ2 LYS 459 HZ2 LYS 459 -3.953 4.557 9.817 218 HZ3 LYS 459 HZ3 LYS 459 -2.638 4.873 8.804 219 HA PRO 460 HA PRO 460 -5.574 -4.148 8.819 220 HB2 PRO 460 HB2 PRO 460 -3.003 -4.951 9.244 221 HB3 PRO 460 HB1 PRO 460 -3.912 -5.339 7.781 222 HG2 PRO 460 HG2 PRO 460 -1.841 -3.244 8.230 223 HG3 PRO 460 HG1 PRO 460 -2.122 -4.260 6.804 224 HD2 PRO 460 HD2 PRO 460 -2.908 -1.649 6.983 225 HD3 PRO 460 HD1 PRO 460 -3.731 -2.854 5.975 Start of MODEL 12 1 H1 SER 433 HT1 SER 433 7.267 -2.194 8.171 2 H2 SER 433 HT2 SER 433 8.466 -1.489 9.136 3 H3 SER 433 HT3 SER 433 8.829 -2.852 8.202 4 HA SER 433 HA SER 433 8.125 -0.164 7.178 5 HB2 SER 433 HB2 SER 433 10.507 -0.304 6.302 6 HB3 SER 433 HB1 SER 433 10.348 -0.130 8.050 7 HG SER 433 HG SER 433 11.869 -1.747 7.443 8 H GLU 434 HN GLU 434 7.076 -2.988 6.646 9 HA GLU 434 HA GLU 434 8.018 -3.488 3.937 10 HB2 GLU 434 HB2 GLU 434 6.646 -5.541 4.098 11 HB3 GLU 434 HB1 GLU 434 7.841 -5.417 5.377 12 HG2 GLU 434 HG2 GLU 434 4.979 -4.598 5.766 13 HG3 GLU 434 HG1 GLU 434 5.537 -6.250 6.021 14 H TRP 435 HN TRP 435 5.534 -1.814 5.476 15 HA TRP 435 HA TRP 435 3.623 -2.137 3.312 16 HB2 TRP 435 HB2 TRP 435 3.470 -0.388 5.777 17 HB3 TRP 435 HB1 TRP 435 2.154 -0.728 4.662 18 HD1 TRP 435 HD1 TRP 435 3.119 -1.661 7.950 19 HE1 TRP 435 HE1 TRP 435 2.247 -3.984 8.628 20 HE3 TRP 435 HE3 TRP 435 1.956 -3.473 3.318 21 HZ2 TRP 435 HZ2 TRP 435 1.207 -6.289 7.365 22 HZ3 TRP 435 HZ3 TRP 435 1.052 -5.751 3.139 23 HH2 TRP 435 HH2 TRP 435 0.671 -7.124 5.108 24 H THR 436 HN THR 436 3.369 -0.680 1.667 25 HA THR 436 HA THR 436 4.988 1.769 1.771 26 HB THR 436 HB THR 436 3.739 0.361 -0.596 27 HG1 THR 436 HG1 THR 436 5.500 -0.808 -0.119 28 HG21 THR 436 HG21 THR 436 5.512 2.809 -0.501 29 HG22 THR 436 HG22 THR 436 3.815 2.766 -0.986 30 HG23 THR 436 HG23 THR 436 5.036 1.955 -1.968 31 H GLU 437 HN GLU 437 3.752 3.401 2.622 32 HA GLU 437 HA GLU 437 1.006 3.712 1.699 33 HB2 GLU 437 HB2 GLU 437 2.648 5.448 3.559 34 HB3 GLU 437 HB1 GLU 437 0.966 5.733 3.147 35 HG2 GLU 437 HG2 GLU 437 0.938 4.724 5.253 36 HG3 GLU 437 HG1 GLU 437 0.484 3.450 4.123 37 H ARG 438 HN ARG 438 1.130 4.201 -0.443 38 HA ARG 438 HA ARG 438 2.915 6.371 -1.232 39 HB2 ARG 438 HB2 ARG 438 3.042 4.313 -2.543 40 HB3 ARG 438 HB1 ARG 438 1.325 4.418 -2.905 41 HG2 ARG 438 HG2 ARG 438 1.701 6.473 -4.155 42 HG3 ARG 438 HG1 ARG 438 3.422 6.397 -3.770 43 HD2 ARG 438 HD2 ARG 438 3.612 4.291 -4.980 44 HD3 ARG 438 HD1 ARG 438 1.885 4.324 -5.336 45 HE ARG 438 HE ARG 438 3.078 6.701 -6.265 46 HH11 ARG 438 HH11 ARG 438 2.912 3.279 -7.033 47 HH12 ARG 438 HH12 ARG 438 3.265 3.520 -8.719 48 HH21 ARG 438 HH21 ARG 438 3.538 7.018 -8.440 49 HH22 ARG 438 HH22 ARG 438 3.610 5.663 -9.529 50 H LYS 439 HN LYS 439 1.975 8.483 -1.706 51 HA LYS 439 HA LYS 439 -0.923 8.601 -1.574 52 HB2 LYS 439 HB2 LYS 439 1.150 10.803 -1.710 53 HB3 LYS 439 HB1 LYS 439 -0.583 11.069 -1.602 54 HG2 LYS 439 HG2 LYS 439 -0.527 9.771 0.559 55 HG3 LYS 439 HG1 LYS 439 1.233 9.863 0.463 56 HD2 LYS 439 HD2 LYS 439 1.093 12.308 0.394 57 HD3 LYS 439 HD1 LYS 439 -0.663 12.210 0.507 58 HE2 LYS 439 HE2 LYS 439 0.174 12.695 2.685 59 HE3 LYS 439 HE1 LYS 439 -0.371 11.018 2.689 60 HZ1 LYS 439 HZ1 LYS 439 1.894 10.282 2.479 61 HZ2 LYS 439 HZ2 LYS 439 1.785 11.343 3.800 62 HZ3 LYS 439 HZ3 LYS 439 2.447 11.878 2.333 63 H THR 440 HN THR 440 -1.895 8.131 -3.370 64 HA THR 440 HA THR 440 -0.678 8.680 -5.949 65 HB THR 440 HB THR 440 -3.402 7.482 -5.545 66 HG1 THR 440 HG1 THR 440 -1.176 6.643 -4.350 67 HG21 THR 440 HG21 THR 440 -1.148 7.107 -7.505 68 HG22 THR 440 HG22 THR 440 -2.804 7.625 -7.829 69 HG23 THR 440 HG23 THR 440 -2.474 5.954 -7.354 70 H ALA 441 HN ALA 441 -1.593 9.989 -7.550 71 HA ALA 441 HA ALA 441 -2.703 12.404 -6.566 72 HB1 ALA 441 HB1 ALA 441 -1.146 12.319 -8.447 73 HB2 ALA 441 HB2 ALA 441 -2.635 13.165 -8.867 74 HB3 ALA 441 HB3 ALA 441 -2.372 11.512 -9.422 75 H ASP 442 HN ASP 442 -4.250 9.565 -7.164 76 HA ASP 442 HA ASP 442 -6.703 10.625 -8.246 77 HB2 ASP 442 HB2 ASP 442 -5.950 8.257 -8.585 78 HB3 ASP 442 HB1 ASP 442 -6.222 7.970 -6.869 79 H GLY 443 HN GLY 443 -5.183 10.915 -5.354 80 HA2 GLY 443 HA2 GLY 443 -6.008 12.016 -3.456 81 HA3 GLY 443 HA1 GLY 443 -7.647 11.651 -3.979 82 H LYS 444 HN LYS 444 -5.330 9.118 -4.014 83 HA LYS 444 HA LYS 444 -6.496 8.003 -1.553 84 HB2 LYS 444 HB2 LYS 444 -6.044 6.591 -4.187 85 HB3 LYS 444 HB1 LYS 444 -6.420 5.763 -2.684 86 HG2 LYS 444 HG2 LYS 444 -8.565 6.929 -2.576 87 HG3 LYS 444 HG1 LYS 444 -8.183 7.764 -4.085 88 HD2 LYS 444 HD2 LYS 444 -8.101 5.634 -5.261 89 HD3 LYS 444 HD1 LYS 444 -8.416 4.771 -3.755 90 HE2 LYS 444 HE2 LYS 444 -10.445 4.972 -5.100 91 HE3 LYS 444 HE1 LYS 444 -10.595 5.852 -3.579 92 HZ1 LYS 444 HZ1 LYS 444 -10.295 7.905 -4.675 93 HZ2 LYS 444 HZ2 LYS 444 -11.415 7.043 -5.610 94 HZ3 LYS 444 HZ3 LYS 444 -9.798 7.165 -6.118 95 H THR 445 HN THR 445 -5.019 7.356 -0.131 96 HA THR 445 HA THR 445 -2.254 6.971 -0.982 97 HB THR 445 HB THR 445 -3.391 6.824 1.823 98 HG1 THR 445 HG1 THR 445 -3.174 8.948 0.253 99 HG21 THR 445 HG21 THR 445 -1.197 5.767 1.542 100 HG22 THR 445 HG22 THR 445 -1.077 7.237 2.509 101 HG23 THR 445 HG23 THR 445 -0.574 7.251 0.819 102 H TYR 446 HN TYR 446 -2.053 4.970 -1.934 103 HA TYR 446 HA TYR 446 -3.549 2.767 -0.723 104 HB2 TYR 446 HB2 TYR 446 -3.562 1.666 -2.759 105 HB3 TYR 446 HB1 TYR 446 -3.723 3.342 -3.224 106 HD1 TYR 446 HD1 TYR 446 -1.739 4.531 -4.230 107 HD2 TYR 446 HD2 TYR 446 -1.765 0.338 -3.497 108 HE1 TYR 446 HE1 TYR 446 0.122 4.245 -5.799 109 HE2 TYR 446 HE2 TYR 446 0.088 0.049 -5.081 110 HH TYR 446 HH TYR 446 1.074 1.227 -7.005 111 H TYR 447 HN TYR 447 -2.597 0.796 -0.265 112 HA TYR 447 HA TYR 447 0.193 1.154 0.530 113 HB2 TYR 447 HB2 TYR 447 -1.703 -0.862 1.719 114 HB3 TYR 447 HB1 TYR 447 -0.251 -0.157 2.432 115 HD1 TYR 447 HD1 TYR 447 -0.314 2.367 2.972 116 HD2 TYR 447 HD2 TYR 447 -3.798 0.067 2.169 117 HE1 TYR 447 HE1 TYR 447 -1.693 4.107 4.016 118 HE2 TYR 447 HE2 TYR 447 -5.188 1.802 3.219 119 HH TYR 447 HH TYR 447 -4.101 4.887 3.843 120 H TYR 448 HN TYR 448 1.347 0.314 -1.141 121 HA TYR 448 HA TYR 448 0.736 -2.300 -2.216 122 HB2 TYR 448 HB2 TYR 448 1.667 -0.506 -3.637 123 HB3 TYR 448 HB1 TYR 448 3.113 -0.474 -2.651 124 HD1 TYR 448 HD1 TYR 448 1.206 -2.449 -5.115 125 HD2 TYR 448 HD2 TYR 448 4.855 -2.081 -2.958 126 HE1 TYR 448 HE1 TYR 448 2.242 -4.125 -6.590 127 HE2 TYR 448 HE2 TYR 448 5.898 -3.755 -4.423 128 HH TYR 448 HH TYR 448 4.601 -4.703 -7.341 129 H ASN 449 HN ASN 449 1.409 -4.131 -1.339 130 HA ASN 449 HA ASN 449 3.558 -4.082 0.670 131 HB2 ASN 449 HB2 ASN 449 1.436 -4.904 1.508 132 HB3 ASN 449 HB1 ASN 449 1.314 -6.050 0.177 133 HD21 ASN 449 HD21 ASN 449 1.189 -7.816 1.529 134 HD22 ASN 449 HD22 ASN 449 2.529 -8.386 2.461 135 H ASN 450 HN ASN 450 5.416 -5.083 0.290 136 HA ASN 450 HA ASN 450 5.705 -6.561 -2.209 137 HB2 ASN 450 HB2 ASN 450 7.660 -5.259 -0.336 138 HB3 ASN 450 HB1 ASN 450 8.204 -6.457 -1.507 139 HD21 ASN 450 HD21 ASN 450 8.153 -5.980 -3.686 140 HD22 ASN 450 HD22 ASN 450 7.946 -4.361 -4.269 141 H ARG 451 HN ARG 451 5.157 -7.198 1.027 142 HA ARG 451 HA ARG 451 6.831 -9.433 1.435 143 HB2 ARG 451 HB2 ARG 451 4.188 -8.764 2.718 144 HB3 ARG 451 HB1 ARG 451 5.264 -10.044 3.261 145 HG2 ARG 451 HG2 ARG 451 5.920 -7.107 3.186 146 HG3 ARG 451 HG1 ARG 451 5.494 -8.039 4.623 147 HD2 ARG 451 HD2 ARG 451 7.856 -8.636 2.852 148 HD3 ARG 451 HD1 ARG 451 7.944 -7.661 4.316 149 HE ARG 451 HE ARG 451 6.761 -10.116 4.973 150 HH11 ARG 451 HH11 ARG 451 9.848 -8.938 3.788 151 HH12 ARG 451 HH12 ARG 451 10.776 -10.128 4.662 152 HH21 ARG 451 HH21 ARG 451 7.993 -11.686 6.108 153 HH22 ARG 451 HH22 ARG 451 9.729 -11.641 6.002 154 H THR 452 HN THR 452 3.481 -9.180 0.357 155 HA THR 452 HA THR 452 3.660 -11.961 -0.587 156 HB THR 452 HB THR 452 1.148 -11.991 -0.379 157 HG1 THR 452 HG1 THR 452 0.122 -10.352 0.550 158 HG21 THR 452 HG21 THR 452 2.716 -11.580 2.168 159 HG22 THR 452 HG22 THR 452 2.595 -13.086 1.258 160 HG23 THR 452 HG23 THR 452 1.163 -12.405 2.032 161 H LEU 453 HN LEU 453 3.784 -8.907 -1.639 162 HA LEU 453 HA LEU 453 3.448 -7.826 -3.607 163 HB2 LEU 453 HB2 LEU 453 2.561 -10.540 -4.598 164 HB3 LEU 453 HB1 LEU 453 2.774 -9.130 -5.618 165 HG LEU 453 HG LEU 453 4.959 -10.496 -4.044 166 HD11 LEU 453 HD11 LEU 453 4.372 -10.467 -7.001 167 HD12 LEU 453 HD12 LEU 453 4.183 -11.845 -5.916 168 HD13 LEU 453 HD13 LEU 453 5.788 -11.188 -6.238 169 HD21 LEU 453 HD21 LEU 453 5.336 -8.091 -4.282 170 HD22 LEU 453 HD22 LEU 453 5.093 -8.222 -6.024 171 HD23 LEU 453 HD23 LEU 453 6.472 -9.016 -5.263 172 H GLU 454 HN GLU 454 1.516 -7.936 -1.554 173 HA GLU 454 HA GLU 454 -1.097 -8.187 -2.808 174 HB2 GLU 454 HB2 GLU 454 -0.649 -9.087 -0.524 175 HB3 GLU 454 HB1 GLU 454 -0.356 -7.444 0.032 176 HG2 GLU 454 HG2 GLU 454 -2.695 -6.892 -0.687 177 HG3 GLU 454 HG1 GLU 454 -2.933 -8.613 -0.961 178 H SER 455 HN SER 455 -2.337 -6.448 -3.409 179 HA SER 455 HA SER 455 -1.344 -3.783 -2.734 180 HB2 SER 455 HB2 SER 455 -1.946 -4.424 -5.140 181 HB3 SER 455 HB1 SER 455 -3.627 -4.431 -4.611 182 HG SER 455 HG SER 455 -1.812 -2.267 -4.717 183 H THR 456 HN THR 456 -2.058 -3.166 -0.801 184 HA THR 456 HA THR 456 -4.712 -4.024 0.116 185 HB THR 456 HB THR 456 -2.596 -2.746 1.835 186 HG1 THR 456 HG1 THR 456 -2.810 -5.563 1.523 187 HG21 THR 456 HG21 THR 456 -4.812 -3.026 2.810 188 HG22 THR 456 HG22 THR 456 -3.657 -4.109 3.589 189 HG23 THR 456 HG23 THR 456 -4.795 -4.740 2.397 190 H TRP 457 HN TRP 457 -6.313 -2.550 0.234 191 HA TRP 457 HA TRP 457 -5.511 0.278 0.080 192 HB2 TRP 457 HB2 TRP 457 -7.888 -1.110 -1.167 193 HB3 TRP 457 HB1 TRP 457 -7.688 0.647 -1.131 194 HD1 TRP 457 HD1 TRP 457 -5.540 -2.398 -2.230 195 HE1 TRP 457 HE1 TRP 457 -4.190 -1.738 -4.311 196 HE3 TRP 457 HE3 TRP 457 -7.214 2.416 -2.791 197 HZ2 TRP 457 HZ2 TRP 457 -3.851 0.495 -5.943 198 HZ3 TRP 457 HZ3 TRP 457 -6.333 3.738 -4.680 199 HH2 TRP 457 HH2 TRP 457 -4.700 2.794 -6.233 200 H GLU 458 HN GLU 458 -6.913 -1.938 2.119 201 HA GLU 458 HA GLU 458 -7.907 0.292 3.760 202 HB2 GLU 458 HB2 GLU 458 -9.660 -1.393 3.192 203 HB3 GLU 458 HB1 GLU 458 -8.687 -2.628 3.981 204 HG2 GLU 458 HG2 GLU 458 -10.484 -1.832 5.424 205 HG3 GLU 458 HG1 GLU 458 -8.898 -1.467 6.103 206 H LYS 459 HN LYS 459 -7.018 0.486 5.822 207 HA LYS 459 HA LYS 459 -4.403 -0.614 6.069 208 HB2 LYS 459 HB2 LYS 459 -6.052 1.155 7.853 209 HB3 LYS 459 HB1 LYS 459 -4.464 0.569 8.338 210 HG2 LYS 459 HG2 LYS 459 -3.516 1.571 6.286 211 HG3 LYS 459 HG1 LYS 459 -5.102 2.238 5.921 212 HD2 LYS 459 HD2 LYS 459 -3.809 3.959 6.922 213 HD3 LYS 459 HD1 LYS 459 -5.012 3.452 8.105 214 HE2 LYS 459 HE2 LYS 459 -2.184 2.408 8.080 215 HE3 LYS 459 HE1 LYS 459 -2.650 3.859 8.959 216 HZ1 LYS 459 HZ1 LYS 459 -4.362 2.371 10.086 217 HZ2 LYS 459 HZ2 LYS 459 -2.741 2.156 10.520 218 HZ3 LYS 459 HZ3 LYS 459 -3.479 1.064 9.465 219 HA PRO 460 HA PRO 460 -5.416 -4.357 8.234 220 HB2 PRO 460 HB2 PRO 460 -2.834 -5.010 8.835 221 HB3 PRO 460 HB1 PRO 460 -3.560 -5.276 7.248 222 HG2 PRO 460 HG2 PRO 460 -1.775 -3.063 8.166 223 HG3 PRO 460 HG1 PRO 460 -1.759 -3.954 6.633 224 HD2 PRO 460 HD2 PRO 460 -2.838 -1.488 6.862 225 HD3 PRO 460 HD1 PRO 460 -3.477 -2.708 5.741 Start of MODEL 13 1 H1 SER 433 HT1 SER 433 7.407 1.755 5.929 2 H2 SER 433 HT2 SER 433 6.590 0.501 6.717 3 H3 SER 433 HT3 SER 433 6.459 0.671 5.037 4 HA SER 433 HA SER 433 8.811 0.205 4.786 5 HB2 SER 433 HB2 SER 433 8.740 -0.414 7.748 6 HB3 SER 433 HB1 SER 433 10.143 -0.482 6.679 7 HG SER 433 HG SER 433 10.366 1.478 7.525 8 H GLU 434 HN GLU 434 6.724 -1.488 7.141 9 HA GLU 434 HA GLU 434 7.076 -4.029 5.834 10 HB2 GLU 434 HB2 GLU 434 6.538 -4.133 8.140 11 HB3 GLU 434 HB1 GLU 434 5.222 -2.983 7.970 12 HG2 GLU 434 HG2 GLU 434 3.948 -4.661 6.706 13 HG3 GLU 434 HG1 GLU 434 5.261 -5.814 6.948 14 H TRP 435 HN TRP 435 4.709 -1.457 5.921 15 HA TRP 435 HA TRP 435 3.535 -2.475 3.423 16 HB2 TRP 435 HB2 TRP 435 2.258 -0.616 5.454 17 HB3 TRP 435 HB1 TRP 435 1.490 -1.279 4.017 18 HD1 TRP 435 HD1 TRP 435 1.374 -1.768 7.545 19 HE1 TRP 435 HE1 TRP 435 0.675 -4.164 8.191 20 HE3 TRP 435 HE3 TRP 435 2.140 -4.081 3.061 21 HZ2 TRP 435 HZ2 TRP 435 0.467 -6.687 6.964 22 HZ3 TRP 435 HZ3 TRP 435 1.680 -6.485 2.886 23 HH2 TRP 435 HH2 TRP 435 0.851 -7.765 4.785 24 H THR 436 HN THR 436 3.358 -0.989 1.719 25 HA THR 436 HA THR 436 4.996 1.402 1.972 26 HB THR 436 HB THR 436 3.598 0.225 -0.441 27 HG1 THR 436 HG1 THR 436 5.257 -1.078 -0.284 28 HG21 THR 436 HG21 THR 436 5.010 1.767 -1.757 29 HG22 THR 436 HG22 THR 436 5.567 2.510 -0.258 30 HG23 THR 436 HG23 THR 436 3.868 2.627 -0.721 31 H GLU 437 HN GLU 437 3.860 2.972 3.059 32 HA GLU 437 HA GLU 437 1.137 3.569 2.203 33 HB2 GLU 437 HB2 GLU 437 2.613 5.388 4.050 34 HB3 GLU 437 HB1 GLU 437 0.927 4.899 4.075 35 HG2 GLU 437 HG2 GLU 437 1.600 3.748 5.887 36 HG3 GLU 437 HG1 GLU 437 2.062 2.552 4.677 37 H ARG 438 HN ARG 438 1.096 4.509 0.246 38 HA ARG 438 HA ARG 438 2.726 6.916 -0.081 39 HB2 ARG 438 HB2 ARG 438 3.815 5.003 -1.250 40 HB3 ARG 438 HB1 ARG 438 2.364 4.810 -2.223 41 HG2 ARG 438 HG2 ARG 438 2.688 6.949 -3.247 42 HG3 ARG 438 HG1 ARG 438 4.029 7.314 -2.160 43 HD2 ARG 438 HD2 ARG 438 3.966 5.091 -4.196 44 HD3 ARG 438 HD1 ARG 438 4.811 6.628 -4.378 45 HE ARG 438 HE ARG 438 5.720 5.473 -2.015 46 HH11 ARG 438 HH11 ARG 438 5.791 4.807 -5.458 47 HH12 ARG 438 HH12 ARG 438 7.262 3.881 -5.374 48 HH21 ARG 438 HH21 ARG 438 7.665 4.304 -1.912 49 HH22 ARG 438 HH22 ARG 438 8.351 3.617 -3.355 50 H LYS 439 HN LYS 439 1.756 8.509 -1.553 51 HA LYS 439 HA LYS 439 -1.130 8.121 -1.793 52 HB2 LYS 439 HB2 LYS 439 -1.139 10.631 -2.076 53 HB3 LYS 439 HB1 LYS 439 -0.611 10.053 -0.501 54 HG2 LYS 439 HG2 LYS 439 1.724 10.390 -1.170 55 HG3 LYS 439 HG1 LYS 439 1.179 10.995 -2.736 56 HD2 LYS 439 HD2 LYS 439 0.512 12.214 -0.056 57 HD3 LYS 439 HD1 LYS 439 1.734 12.814 -1.178 58 HE2 LYS 439 HE2 LYS 439 0.019 13.230 -2.853 59 HE3 LYS 439 HE1 LYS 439 -1.212 12.575 -1.776 60 HZ1 LYS 439 HZ1 LYS 439 0.433 14.994 -1.262 61 HZ2 LYS 439 HZ2 LYS 439 -0.736 14.357 -0.213 62 HZ3 LYS 439 HZ3 LYS 439 -1.202 14.977 -1.720 63 H THR 440 HN THR 440 -1.884 7.629 -3.712 64 HA THR 440 HA THR 440 -0.363 8.241 -6.112 65 HB THR 440 HB THR 440 -1.424 6.032 -5.965 66 HG1 THR 440 HG1 THR 440 -1.401 6.365 -8.058 67 HG21 THR 440 HG21 THR 440 -3.866 5.798 -6.102 68 HG22 THR 440 HG22 THR 440 -4.039 7.547 -5.947 69 HG23 THR 440 HG23 THR 440 -3.372 6.605 -4.613 70 H ALA 441 HN ALA 441 -1.227 9.453 -7.861 71 HA ALA 441 HA ALA 441 -2.224 11.945 -7.081 72 HB1 ALA 441 HB1 ALA 441 -2.296 12.479 -9.451 73 HB2 ALA 441 HB2 ALA 441 -2.157 10.766 -9.852 74 HB3 ALA 441 HB3 ALA 441 -0.821 11.597 -9.055 75 H ASP 442 HN ASP 442 -3.928 9.075 -7.659 76 HA ASP 442 HA ASP 442 -6.392 10.223 -8.548 77 HB2 ASP 442 HB2 ASP 442 -5.763 7.822 -8.873 78 HB3 ASP 442 HB1 ASP 442 -5.953 7.578 -7.140 79 H GLY 443 HN GLY 443 -4.751 10.363 -5.648 80 HA2 GLY 443 HA2 GLY 443 -5.438 11.658 -3.814 81 HA3 GLY 443 HA1 GLY 443 -7.105 11.476 -4.338 82 H LYS 444 HN LYS 444 -4.769 8.890 -3.868 83 HA LYS 444 HA LYS 444 -6.321 7.946 -1.566 84 HB2 LYS 444 HB2 LYS 444 -6.227 6.740 -4.196 85 HB3 LYS 444 HB1 LYS 444 -5.568 5.647 -2.989 86 HG2 LYS 444 HG2 LYS 444 -7.638 5.045 -2.501 87 HG3 LYS 444 HG1 LYS 444 -7.915 6.665 -1.863 88 HD2 LYS 444 HD2 LYS 444 -8.244 5.963 -4.773 89 HD3 LYS 444 HD1 LYS 444 -9.563 5.860 -3.606 90 HE2 LYS 444 HE2 LYS 444 -9.366 8.220 -3.125 91 HE3 LYS 444 HE1 LYS 444 -7.964 8.346 -4.185 92 HZ1 LYS 444 HZ1 LYS 444 -10.666 7.538 -5.110 93 HZ2 LYS 444 HZ2 LYS 444 -9.313 7.887 -6.073 94 HZ3 LYS 444 HZ3 LYS 444 -10.068 9.124 -5.189 95 H THR 445 HN THR 445 -5.062 7.320 0.070 96 HA THR 445 HA THR 445 -2.211 6.900 -0.385 97 HB THR 445 HB THR 445 -3.750 6.801 2.227 98 HG1 THR 445 HG1 THR 445 -2.086 8.954 1.480 99 HG21 THR 445 HG21 THR 445 -0.794 7.080 1.663 100 HG22 THR 445 HG22 THR 445 -1.593 5.643 2.302 101 HG23 THR 445 HG23 THR 445 -1.548 7.124 3.257 102 H TYR 446 HN TYR 446 -2.014 4.938 -1.389 103 HA TYR 446 HA TYR 446 -3.558 2.696 -0.317 104 HB2 TYR 446 HB2 TYR 446 -3.328 1.625 -2.416 105 HB3 TYR 446 HB1 TYR 446 -3.718 3.301 -2.761 106 HD1 TYR 446 HD1 TYR 446 -1.575 4.848 -3.176 107 HD2 TYR 446 HD2 TYR 446 -1.668 0.617 -3.608 108 HE1 TYR 446 HE1 TYR 446 0.357 4.964 -4.694 109 HE2 TYR 446 HE2 TYR 446 0.257 0.716 -5.123 110 HH TYR 446 HH TYR 446 2.153 3.542 -5.502 111 H TYR 447 HN TYR 447 -2.599 0.766 0.266 112 HA TYR 447 HA TYR 447 0.252 1.021 0.876 113 HB2 TYR 447 HB2 TYR 447 -1.734 -0.882 2.147 114 HB3 TYR 447 HB1 TYR 447 -0.104 -0.507 2.702 115 HD1 TYR 447 HD2 TYR 447 -3.517 0.872 2.323 116 HD2 TYR 447 HD1 TYR 447 0.336 1.429 4.037 117 HE1 TYR 447 HE2 TYR 447 -4.384 2.737 3.669 118 HE2 TYR 447 HE1 TYR 447 -0.522 3.293 5.377 119 HH TYR 447 HH TYR 447 -2.280 4.843 5.451 120 H TYR 448 HN TYR 448 1.229 0.236 -0.934 121 HA TYR 448 HA TYR 448 0.434 -2.324 -2.018 122 HB2 TYR 448 HB2 TYR 448 1.160 -0.549 -3.537 123 HB3 TYR 448 HB1 TYR 448 2.721 -0.471 -2.732 124 HD1 TYR 448 HD1 TYR 448 0.541 -2.669 -4.780 125 HD2 TYR 448 HD2 TYR 448 4.484 -1.886 -3.387 126 HE1 TYR 448 HE1 TYR 448 1.424 -4.343 -6.350 127 HE2 TYR 448 HE2 TYR 448 5.377 -3.558 -4.951 128 HH TYR 448 HH TYR 448 4.613 -5.522 -6.187 129 H ASN 449 HN ASN 449 1.176 -4.188 -1.287 130 HA ASN 449 HA ASN 449 3.377 -4.247 0.607 131 HB2 ASN 449 HB2 ASN 449 1.317 -5.434 1.170 132 HB3 ASN 449 HB1 ASN 449 1.443 -6.390 -0.303 133 HD21 ASN 449 HD21 ASN 449 1.351 -8.235 1.079 134 HD22 ASN 449 HD22 ASN 449 2.756 -8.757 1.940 135 H ASN 450 HN ASN 450 5.334 -5.008 0.191 136 HA ASN 450 HA ASN 450 5.887 -5.911 -2.530 137 HB2 ASN 450 HB2 ASN 450 8.156 -5.285 -2.189 138 HB3 ASN 450 HB1 ASN 450 7.175 -3.989 -1.525 139 HD21 ASN 450 HD21 ASN 450 6.576 -5.517 0.952 140 HD22 ASN 450 HD22 ASN 450 8.027 -5.465 1.883 141 H ARG 451 HN ARG 451 5.255 -7.256 0.416 142 HA ARG 451 HA ARG 451 7.228 -9.324 0.466 143 HB2 ARG 451 HB2 ARG 451 4.551 -9.143 1.866 144 HB3 ARG 451 HB1 ARG 451 5.761 -10.383 2.176 145 HG2 ARG 451 HG2 ARG 451 7.337 -8.529 2.785 146 HG3 ARG 451 HG1 ARG 451 5.966 -7.434 2.706 147 HD2 ARG 451 HD2 ARG 451 4.881 -8.495 4.498 148 HD3 ARG 451 HD1 ARG 451 5.937 -9.905 4.409 149 HE ARG 451 HE ARG 451 7.697 -8.010 4.997 150 HH11 ARG 451 HH11 ARG 451 4.551 -8.668 6.394 151 HH12 ARG 451 HH12 ARG 451 4.977 -8.022 7.949 152 HH21 ARG 451 HH21 ARG 451 8.277 -7.235 7.044 153 HH22 ARG 451 HH22 ARG 451 7.110 -7.232 8.334 154 H THR 452 HN THR 452 3.705 -9.553 -0.115 155 HA THR 452 HA THR 452 4.225 -11.950 -1.729 156 HB THR 452 HB THR 452 1.755 -12.375 -1.416 157 HG1 THR 452 HG1 THR 452 0.589 -11.035 -0.243 158 HG21 THR 452 HG21 THR 452 1.997 -13.194 0.885 159 HG22 THR 452 HG22 THR 452 3.456 -12.221 1.070 160 HG23 THR 452 HG23 THR 452 3.423 -13.548 -0.089 161 H LEU 453 HN LEU 453 3.886 -8.789 -2.159 162 HA LEU 453 HA LEU 453 3.126 -7.351 -3.712 163 HB2 LEU 453 HB2 LEU 453 3.028 -9.880 -5.340 164 HB3 LEU 453 HB1 LEU 453 2.508 -8.345 -6.004 165 HG LEU 453 HG LEU 453 4.804 -7.444 -5.510 166 HD11 LEU 453 HD11 LEU 453 6.618 -9.017 -5.135 167 HD12 LEU 453 HD12 LEU 453 5.463 -10.345 -5.022 168 HD13 LEU 453 HD13 LEU 453 5.461 -9.068 -3.804 169 HD21 LEU 453 HD21 LEU 453 4.159 -8.143 -7.745 170 HD22 LEU 453 HD22 LEU 453 4.622 -9.804 -7.376 171 HD23 LEU 453 HD23 LEU 453 5.849 -8.538 -7.433 172 H GLU 454 HN GLU 454 1.404 -7.008 -2.239 173 HA GLU 454 HA GLU 454 -1.215 -7.874 -3.266 174 HB2 GLU 454 HB2 GLU 454 -0.470 -9.023 -1.097 175 HB3 GLU 454 HB1 GLU 454 -0.593 -7.440 -0.338 176 HG2 GLU 454 HG2 GLU 454 -3.004 -7.525 -1.439 177 HG3 GLU 454 HG1 GLU 454 -2.713 -9.257 -1.303 178 H SER 455 HN SER 455 -2.697 -6.212 -3.446 179 HA SER 455 HA SER 455 -1.730 -3.565 -2.650 180 HB2 SER 455 HB2 SER 455 -4.066 -4.301 -4.426 181 HB3 SER 455 HB1 SER 455 -3.480 -2.670 -4.114 182 HG SER 455 HG SER 455 -2.614 -3.383 -6.045 183 H THR 456 HN THR 456 -2.203 -3.214 -0.578 184 HA THR 456 HA THR 456 -4.828 -3.986 0.462 185 HB THR 456 HB THR 456 -2.513 -2.849 2.036 186 HG1 THR 456 HG1 THR 456 -3.040 -5.593 1.383 187 HG21 THR 456 HG21 THR 456 -4.589 -2.874 3.243 188 HG22 THR 456 HG22 THR 456 -3.575 -4.178 3.862 189 HG23 THR 456 HG23 THR 456 -4.904 -4.540 2.761 190 H TRP 457 HN TRP 457 -6.387 -2.453 0.349 191 HA TRP 457 HA TRP 457 -5.501 0.349 0.286 192 HB2 TRP 457 HB2 TRP 457 -7.904 -0.986 -0.971 193 HB3 TRP 457 HB1 TRP 457 -7.684 0.765 -0.920 194 HD1 TRP 457 HD1 TRP 457 -5.685 -2.329 -2.149 195 HE1 TRP 457 HE1 TRP 457 -4.351 -1.645 -4.235 196 HE3 TRP 457 HE3 TRP 457 -7.062 2.592 -2.429 197 HZ2 TRP 457 HZ2 TRP 457 -3.909 0.650 -5.771 198 HZ3 TRP 457 HZ3 TRP 457 -6.152 3.955 -4.268 199 HH2 TRP 457 HH2 TRP 457 -4.615 3.004 -5.909 200 H GLU 458 HN GLU 458 -6.942 -1.851 2.267 201 HA GLU 458 HA GLU 458 -8.045 0.330 3.911 202 HB2 GLU 458 HB2 GLU 458 -9.706 -1.440 3.153 203 HB3 GLU 458 HB1 GLU 458 -8.794 -2.593 4.119 204 HG2 GLU 458 HG2 GLU 458 -10.762 -1.771 5.301 205 HG3 GLU 458 HG1 GLU 458 -9.271 -1.322 6.131 206 H LYS 459 HN LYS 459 -7.134 0.573 5.921 207 HA LYS 459 HA LYS 459 -4.508 -0.394 6.158 208 HB2 LYS 459 HB2 LYS 459 -6.259 1.280 7.862 209 HB3 LYS 459 HB1 LYS 459 -4.819 0.580 8.593 210 HG2 LYS 459 HG2 LYS 459 -3.699 1.537 6.402 211 HG3 LYS 459 HG1 LYS 459 -5.074 2.636 6.485 212 HD2 LYS 459 HD2 LYS 459 -3.221 3.641 7.620 213 HD3 LYS 459 HD1 LYS 459 -4.424 3.179 8.827 214 HE2 LYS 459 HE2 LYS 459 -2.052 1.458 8.125 215 HE3 LYS 459 HE1 LYS 459 -1.988 2.695 9.375 216 HZ1 LYS 459 HZ1 LYS 459 -2.431 0.591 10.386 217 HZ2 LYS 459 HZ2 LYS 459 -3.732 0.287 9.349 218 HZ3 LYS 459 HZ3 LYS 459 -3.838 1.527 10.501 219 HA PRO 460 HA PRO 460 -4.952 -4.213 8.564 220 HB2 PRO 460 HB2 PRO 460 -2.096 -3.490 8.968 221 HB3 PRO 460 HB1 PRO 460 -2.807 -5.042 8.512 222 HG2 PRO 460 HG2 PRO 460 -1.535 -3.512 6.729 223 HG3 PRO 460 HG1 PRO 460 -2.961 -4.466 6.285 224 HD2 PRO 460 HD2 PRO 460 -2.703 -1.535 6.732 225 HD3 PRO 460 HD1 PRO 460 -3.758 -2.433 5.618 Start of MODEL 14 1 H1 SER 433 HT1 SER 433 7.723 -2.451 8.209 2 H2 SER 433 HT2 SER 433 6.517 -1.315 7.837 3 H3 SER 433 HT3 SER 433 7.883 -0.840 8.716 4 HA SER 433 HA SER 433 8.021 -0.098 6.435 5 HB2 SER 433 HB2 SER 433 9.978 -2.284 7.184 6 HB3 SER 433 HB1 SER 433 10.249 -1.079 5.924 7 HG SER 433 HG SER 433 10.527 0.449 7.393 8 H GLU 434 HN GLU 434 6.563 -3.049 6.754 9 HA GLU 434 HA GLU 434 7.210 -4.116 4.152 10 HB2 GLU 434 HB2 GLU 434 5.613 -5.873 4.711 11 HB3 GLU 434 HB1 GLU 434 6.717 -5.600 6.054 12 HG2 GLU 434 HG2 GLU 434 4.908 -4.074 7.005 13 HG3 GLU 434 HG1 GLU 434 3.836 -4.812 5.815 14 H TRP 435 HN TRP 435 5.037 -1.839 5.415 15 HA TRP 435 HA TRP 435 3.143 -2.178 3.215 16 HB2 TRP 435 HB2 TRP 435 2.987 -0.445 5.691 17 HB3 TRP 435 HB1 TRP 435 1.731 -0.568 4.464 18 HD1 TRP 435 HD1 TRP 435 1.982 -1.593 7.757 19 HE1 TRP 435 HE1 TRP 435 0.917 -3.890 8.242 20 HE3 TRP 435 HE3 TRP 435 1.766 -3.415 2.985 21 HZ2 TRP 435 HZ2 TRP 435 0.099 -6.167 6.792 22 HZ3 TRP 435 HZ3 TRP 435 0.844 -5.664 2.622 23 HH2 TRP 435 HH2 TRP 435 0.021 -7.009 4.483 24 H THR 436 HN THR 436 3.486 -0.961 1.411 25 HA THR 436 HA THR 436 4.919 1.559 1.621 26 HB THR 436 HB THR 436 3.750 0.122 -0.777 27 HG1 THR 436 HG1 THR 436 5.943 -0.318 0.589 28 HG21 THR 436 HG21 THR 436 5.469 2.611 -0.667 29 HG22 THR 436 HG22 THR 436 3.773 2.540 -1.161 30 HG23 THR 436 HG23 THR 436 5.012 1.744 -2.133 31 H GLU 437 HN GLU 437 3.483 2.814 2.798 32 HA GLU 437 HA GLU 437 0.807 3.207 1.744 33 HB2 GLU 437 HB2 GLU 437 2.090 4.584 4.114 34 HB3 GLU 437 HB1 GLU 437 0.375 4.520 3.721 35 HG2 GLU 437 HG2 GLU 437 0.496 2.033 4.018 36 HG3 GLU 437 HG1 GLU 437 2.133 2.254 4.627 37 H ARG 438 HN ARG 438 0.930 4.299 -0.111 38 HA ARG 438 HA ARG 438 2.471 6.800 -0.121 39 HB2 ARG 438 HB2 ARG 438 3.693 5.115 -1.372 40 HB3 ARG 438 HB1 ARG 438 2.259 4.715 -2.305 41 HG2 ARG 438 HG2 ARG 438 2.298 7.018 -3.239 42 HG3 ARG 438 HG1 ARG 438 3.826 7.280 -2.396 43 HD2 ARG 438 HD2 ARG 438 3.300 5.140 -4.452 44 HD3 ARG 438 HD1 ARG 438 4.153 6.655 -4.747 45 HE ARG 438 HE ARG 438 5.767 5.805 -2.980 46 HH11 ARG 438 HH11 ARG 438 3.924 3.673 -5.071 47 HH12 ARG 438 HH12 ARG 438 5.116 2.401 -5.037 48 HH21 ARG 438 HH21 ARG 438 7.305 4.119 -2.891 49 HH22 ARG 438 HH22 ARG 438 7.024 2.646 -3.777 50 H LYS 439 HN LYS 439 1.532 8.537 -1.443 51 HA LYS 439 HA LYS 439 -1.294 8.112 -2.006 52 HB2 LYS 439 HB2 LYS 439 0.368 10.625 -1.872 53 HB3 LYS 439 HB1 LYS 439 -1.331 10.593 -2.320 54 HG2 LYS 439 HG2 LYS 439 -1.810 9.554 -0.095 55 HG3 LYS 439 HG1 LYS 439 -0.126 9.857 0.335 56 HD2 LYS 439 HD2 LYS 439 -1.587 11.633 1.164 57 HD3 LYS 439 HD1 LYS 439 -0.457 12.251 -0.043 58 HE2 LYS 439 HE2 LYS 439 -2.225 12.050 -1.752 59 HE3 LYS 439 HE1 LYS 439 -3.349 11.522 -0.500 60 HZ1 LYS 439 HZ1 LYS 439 -3.544 13.894 -1.039 61 HZ2 LYS 439 HZ2 LYS 439 -1.949 14.143 -0.517 62 HZ3 LYS 439 HZ3 LYS 439 -3.133 13.635 0.586 63 H THR 440 HN THR 440 -1.952 7.692 -3.963 64 HA THR 440 HA THR 440 -0.246 8.252 -6.251 65 HB THR 440 HB THR 440 -1.473 6.101 -6.145 66 HG1 THR 440 HG1 THR 440 -1.964 6.112 -8.283 67 HG21 THR 440 HG21 THR 440 -3.898 6.055 -6.544 68 HG22 THR 440 HG22 THR 440 -3.945 7.814 -6.420 69 HG23 THR 440 HG23 THR 440 -3.503 6.843 -5.016 70 H ALA 441 HN ALA 441 -0.976 9.537 -8.050 71 HA ALA 441 HA ALA 441 -1.727 12.089 -7.183 72 HB1 ALA 441 HB1 ALA 441 -1.681 11.060 -10.012 73 HB2 ALA 441 HB2 ALA 441 -0.284 11.654 -9.114 74 HB3 ALA 441 HB3 ALA 441 -1.612 12.747 -9.506 75 H ASP 442 HN ASP 442 -3.752 9.479 -7.934 76 HA ASP 442 HA ASP 442 -6.010 10.968 -8.863 77 HB2 ASP 442 HB2 ASP 442 -5.650 8.478 -9.172 78 HB3 ASP 442 HB1 ASP 442 -6.055 8.284 -7.470 79 H GLY 443 HN GLY 443 -4.440 10.807 -5.932 80 HA2 GLY 443 HA2 GLY 443 -4.990 12.059 -4.031 81 HA3 GLY 443 HA1 GLY 443 -6.656 12.137 -4.586 82 H LYS 444 HN LYS 444 -4.896 9.130 -4.455 83 HA LYS 444 HA LYS 444 -6.532 8.335 -2.130 84 HB2 LYS 444 HB2 LYS 444 -5.762 6.572 -4.468 85 HB3 LYS 444 HB1 LYS 444 -6.715 6.088 -3.076 86 HG2 LYS 444 HG2 LYS 444 -8.407 7.809 -3.760 87 HG3 LYS 444 HG1 LYS 444 -7.489 8.007 -5.254 88 HD2 LYS 444 HD2 LYS 444 -7.779 5.592 -5.705 89 HD3 LYS 444 HD1 LYS 444 -8.775 5.467 -4.254 90 HE2 LYS 444 HE2 LYS 444 -9.353 7.060 -6.744 91 HE3 LYS 444 HE1 LYS 444 -10.230 5.653 -6.147 92 HZ1 LYS 444 HZ1 LYS 444 -10.157 8.378 -4.982 93 HZ2 LYS 444 HZ2 LYS 444 -10.747 7.038 -4.127 94 HZ3 LYS 444 HZ3 LYS 444 -11.505 7.526 -5.563 95 H THR 445 HN THR 445 -5.481 7.424 -0.483 96 HA THR 445 HA THR 445 -2.608 7.042 -0.712 97 HB THR 445 HB THR 445 -4.221 6.582 1.784 98 HG1 THR 445 HG1 THR 445 -4.762 8.624 1.716 99 HG21 THR 445 HG21 THR 445 -1.395 7.482 1.222 100 HG22 THR 445 HG22 THR 445 -1.904 5.943 1.915 101 HG23 THR 445 HG23 THR 445 -2.119 7.438 2.828 102 H TYR 446 HN TYR 446 -2.114 5.108 -1.661 103 HA TYR 446 HA TYR 446 -3.792 2.814 -0.968 104 HB2 TYR 446 HB2 TYR 446 -3.039 1.745 -2.969 105 HB3 TYR 446 HB1 TYR 446 -3.519 3.379 -3.381 106 HD1 TYR 446 HD1 TYR 446 -1.607 5.124 -3.632 107 HD2 TYR 446 HD2 TYR 446 -0.995 0.914 -3.623 108 HE1 TYR 446 HE1 TYR 446 0.540 5.436 -4.793 109 HE2 TYR 446 HE2 TYR 446 1.148 1.213 -4.777 110 HH TYR 446 HH TYR 446 2.242 2.867 -6.227 111 H TYR 447 HN TYR 447 -2.958 0.965 -0.062 112 HA TYR 447 HA TYR 447 -0.214 1.228 0.916 113 HB2 TYR 447 HB2 TYR 447 -2.174 -0.754 2.023 114 HB3 TYR 447 HB1 TYR 447 -0.814 0.029 2.821 115 HD1 TYR 447 HD1 TYR 447 -1.135 2.772 2.775 116 HD2 TYR 447 HD2 TYR 447 -4.232 -0.140 2.811 117 HE1 TYR 447 HE1 TYR 447 -2.661 4.424 3.747 118 HE2 TYR 447 HE2 TYR 447 -5.774 1.510 3.779 119 HH TYR 447 HH TYR 447 -5.718 3.586 5.037 120 H TYR 448 HN TYR 448 0.956 0.339 -0.722 121 HA TYR 448 HA TYR 448 0.197 -2.205 -1.854 122 HB2 TYR 448 HB2 TYR 448 1.170 -0.382 -3.233 123 HB3 TYR 448 HB1 TYR 448 2.671 -0.525 -2.330 124 HD1 TYR 448 HD1 TYR 448 0.346 -2.505 -4.463 125 HD2 TYR 448 HD2 TYR 448 4.339 -1.957 -3.100 126 HE1 TYR 448 HE1 TYR 448 1.121 -4.189 -6.074 127 HE2 TYR 448 HE2 TYR 448 5.123 -3.644 -4.708 128 HH TYR 448 HH TYR 448 4.308 -5.474 -5.999 129 H ASN 449 HN ASN 449 1.041 -4.116 -1.398 130 HA ASN 449 HA ASN 449 2.662 -4.368 1.000 131 HB2 ASN 449 HB2 ASN 449 0.722 -5.725 0.992 132 HB3 ASN 449 HB1 ASN 449 0.983 -6.232 -0.671 133 HD21 ASN 449 HD21 ASN 449 1.701 -6.816 2.634 134 HD22 ASN 449 HD22 ASN 449 2.577 -8.287 2.400 135 H ASN 450 HN ASN 450 4.758 -4.870 0.976 136 HA ASN 450 HA ASN 450 6.024 -5.374 -1.610 137 HB2 ASN 450 HB2 ASN 450 6.829 -3.524 -0.113 138 HB3 ASN 450 HB1 ASN 450 7.326 -4.747 1.050 139 HD21 ASN 450 HD21 ASN 450 7.596 -5.058 -2.439 140 HD22 ASN 450 HD22 ASN 450 9.326 -5.052 -2.493 141 H ARG 451 HN ARG 451 4.807 -7.128 0.881 142 HA ARG 451 HA ARG 451 6.906 -9.015 1.297 143 HB2 ARG 451 HB2 ARG 451 3.960 -9.409 1.822 144 HB3 ARG 451 HB1 ARG 451 5.280 -10.349 2.498 145 HG2 ARG 451 HG2 ARG 451 6.086 -8.203 3.568 146 HG3 ARG 451 HG1 ARG 451 4.536 -7.504 3.093 147 HD2 ARG 451 HD2 ARG 451 5.064 -9.771 4.997 148 HD3 ARG 451 HD1 ARG 451 4.250 -8.241 5.317 149 HE ARG 451 HE ARG 451 3.033 -10.152 3.445 150 HH11 ARG 451 HH11 ARG 451 2.920 -8.374 6.478 151 HH12 ARG 451 HH12 ARG 451 1.324 -8.944 6.881 152 HH21 ARG 451 HH21 ARG 451 0.937 -10.860 3.963 153 HH22 ARG 451 HH22 ARG 451 0.193 -10.354 5.448 154 H THR 452 HN THR 452 3.784 -9.281 -0.387 155 HA THR 452 HA THR 452 4.905 -11.511 -1.969 156 HB THR 452 HB THR 452 1.979 -11.170 -1.284 157 HG1 THR 452 HG1 THR 452 3.937 -12.737 0.091 158 HG21 THR 452 HG21 THR 452 3.606 -13.569 -2.144 159 HG22 THR 452 HG22 THR 452 2.493 -12.659 -3.164 160 HG23 THR 452 HG23 THR 452 1.881 -13.570 -1.782 161 H LEU 453 HN LEU 453 4.120 -8.382 -2.190 162 HA LEU 453 HA LEU 453 3.491 -6.925 -3.789 163 HB2 LEU 453 HB2 LEU 453 3.795 -9.341 -5.560 164 HB3 LEU 453 HB1 LEU 453 3.210 -7.815 -6.188 165 HG LEU 453 HG LEU 453 5.348 -6.752 -5.402 166 HD11 LEU 453 HD11 LEU 453 5.986 -8.395 -3.714 167 HD12 LEU 453 HD12 LEU 453 7.252 -8.200 -4.927 168 HD13 LEU 453 HD13 LEU 453 6.197 -9.613 -4.972 169 HD21 LEU 453 HD21 LEU 453 5.016 -7.366 -7.723 170 HD22 LEU 453 HD22 LEU 453 5.566 -9.008 -7.387 171 HD23 LEU 453 HD23 LEU 453 6.689 -7.656 -7.244 172 H GLU 454 HN GLU 454 1.634 -6.761 -2.542 173 HA GLU 454 HA GLU 454 -0.809 -7.922 -3.702 174 HB2 GLU 454 HB2 GLU 454 -0.100 -9.196 -1.702 175 HB3 GLU 454 HB1 GLU 454 -0.062 -7.710 -0.770 176 HG2 GLU 454 HG2 GLU 454 -2.484 -7.470 -1.094 177 HG3 GLU 454 HG1 GLU 454 -2.498 -9.000 -1.970 178 H SER 455 HN SER 455 -2.684 -6.532 -3.453 179 HA SER 455 HA SER 455 -1.922 -3.777 -2.780 180 HB2 SER 455 HB2 SER 455 -3.927 -3.101 -4.089 181 HB3 SER 455 HB1 SER 455 -2.759 -4.014 -5.041 182 HG SER 455 HG SER 455 -4.608 -5.623 -3.829 183 H THR 456 HN THR 456 -2.429 -3.181 -0.776 184 HA THR 456 HA THR 456 -4.818 -4.362 0.488 185 HB THR 456 HB THR 456 -2.449 -3.143 1.918 186 HG1 THR 456 HG1 THR 456 -2.886 -5.930 1.492 187 HG21 THR 456 HG21 THR 456 -4.469 -3.319 3.258 188 HG22 THR 456 HG22 THR 456 -3.288 -4.507 3.805 189 HG23 THR 456 HG23 THR 456 -4.651 -5.014 2.808 190 H TRP 457 HN TRP 457 -6.451 -2.982 1.009 191 HA TRP 457 HA TRP 457 -5.794 -0.106 0.914 192 HB2 TRP 457 HB2 TRP 457 -8.193 -1.529 -0.243 193 HB3 TRP 457 HB1 TRP 457 -8.088 0.228 -0.081 194 HD1 TRP 457 HD1 TRP 457 -6.156 -2.671 -1.769 195 HE1 TRP 457 HE1 TRP 457 -4.956 -1.747 -3.844 196 HE3 TRP 457 HE3 TRP 457 -7.465 2.263 -1.353 197 HZ2 TRP 457 HZ2 TRP 457 -4.579 0.721 -5.115 198 HZ3 TRP 457 HZ3 TRP 457 -6.658 3.837 -3.066 199 HH2 TRP 457 HH2 TRP 457 -5.260 3.077 -4.915 200 H GLU 458 HN GLU 458 -6.618 -2.397 2.994 201 HA GLU 458 HA GLU 458 -7.960 -0.443 4.737 202 HB2 GLU 458 HB2 GLU 458 -8.090 -3.467 4.842 203 HB3 GLU 458 HB1 GLU 458 -8.775 -2.396 6.056 204 HG2 GLU 458 HG2 GLU 458 -9.603 -2.612 3.172 205 HG3 GLU 458 HG1 GLU 458 -10.502 -3.177 4.578 206 H LYS 459 HN LYS 459 -6.873 0.114 6.573 207 HA LYS 459 HA LYS 459 -4.113 -0.662 6.699 208 HB2 LYS 459 HB2 LYS 459 -5.790 1.210 8.351 209 HB3 LYS 459 HB1 LYS 459 -4.109 0.865 8.737 210 HG2 LYS 459 HG2 LYS 459 -3.503 1.633 6.446 211 HG3 LYS 459 HG1 LYS 459 -5.179 2.124 6.229 212 HD2 LYS 459 HD2 LYS 459 -3.745 4.004 6.899 213 HD3 LYS 459 HD1 LYS 459 -5.008 3.671 8.084 214 HE2 LYS 459 HE2 LYS 459 -2.821 4.145 9.121 215 HE3 LYS 459 HE1 LYS 459 -3.428 2.540 9.514 216 HZ1 LYS 459 HZ1 LYS 459 -1.923 1.570 7.970 217 HZ2 LYS 459 HZ2 LYS 459 -1.028 2.624 8.944 218 HZ3 LYS 459 HZ3 LYS 459 -1.446 3.077 7.361 219 HA PRO 460 HA PRO 460 -4.823 -3.726 9.925 220 HB2 PRO 460 HB2 PRO 460 -2.568 -5.113 9.536 221 HB3 PRO 460 HB1 PRO 460 -3.936 -5.261 8.428 222 HG2 PRO 460 HG2 PRO 460 -1.383 -3.763 8.100 223 HG3 PRO 460 HG1 PRO 460 -2.330 -4.647 6.892 224 HD2 PRO 460 HD2 PRO 460 -2.360 -1.879 7.290 225 HD3 PRO 460 HD1 PRO 460 -3.569 -2.818 6.392 Start of MODEL 15 1 H1 SER 433 HT1 SER 433 7.643 1.523 6.274 2 H2 SER 433 HT2 SER 433 7.273 2.161 7.798 3 H3 SER 433 HT3 SER 433 6.098 1.297 6.941 4 HA SER 433 HA SER 433 8.575 0.269 8.173 5 HB2 SER 433 HB2 SER 433 6.917 -1.199 9.376 6 HB3 SER 433 HB1 SER 433 6.753 0.518 9.736 7 HG SER 433 HG SER 433 4.730 0.117 9.242 8 H GLU 434 HN GLU 434 6.050 -1.958 7.608 9 HA GLU 434 HA GLU 434 7.614 -3.189 5.468 10 HB2 GLU 434 HB2 GLU 434 7.048 -4.615 7.363 11 HB3 GLU 434 HB1 GLU 434 5.339 -4.264 7.151 12 HG2 GLU 434 HG2 GLU 434 5.288 -5.448 5.075 13 HG3 GLU 434 HG1 GLU 434 7.037 -5.661 5.100 14 H TRP 435 HN TRP 435 4.740 -1.426 5.989 15 HA TRP 435 HA TRP 435 3.546 -2.308 3.479 16 HB2 TRP 435 HB2 TRP 435 2.502 -0.483 5.656 17 HB3 TRP 435 HB1 TRP 435 1.605 -0.929 4.206 18 HD1 TRP 435 HD1 TRP 435 1.580 -1.806 7.650 19 HE1 TRP 435 HE1 TRP 435 0.790 -4.224 8.056 20 HE3 TRP 435 HE3 TRP 435 2.121 -3.635 2.918 21 HZ2 TRP 435 HZ2 TRP 435 0.446 -6.600 6.555 22 HZ3 TRP 435 HZ3 TRP 435 1.553 -5.983 2.483 23 HH2 TRP 435 HH2 TRP 435 0.725 -7.434 4.251 24 H THR 436 HN THR 436 3.409 -1.019 1.684 25 HA THR 436 HA THR 436 5.026 1.398 1.712 26 HB THR 436 HB THR 436 3.660 -0.032 -0.579 27 HG1 THR 436 HG1 THR 436 5.334 -1.297 -0.165 28 HG21 THR 436 HG21 THR 436 5.588 2.298 -0.614 29 HG22 THR 436 HG22 THR 436 3.891 2.332 -1.104 30 HG23 THR 436 HG23 THR 436 5.066 1.397 -2.035 31 H GLU 437 HN GLU 437 3.850 2.986 2.663 32 HA GLU 437 HA GLU 437 1.159 3.535 1.721 33 HB2 GLU 437 HB2 GLU 437 2.842 4.999 3.766 34 HB3 GLU 437 HB1 GLU 437 1.140 5.295 3.434 35 HG2 GLU 437 HG2 GLU 437 0.555 3.098 4.228 36 HG3 GLU 437 HG1 GLU 437 2.252 2.686 4.445 37 H ARG 438 HN ARG 438 1.326 4.184 -0.331 38 HA ARG 438 HA ARG 438 3.167 6.397 -0.898 39 HB2 ARG 438 HB2 ARG 438 3.722 4.287 -2.049 40 HB3 ARG 438 HB1 ARG 438 2.117 4.256 -2.764 41 HG2 ARG 438 HG2 ARG 438 2.618 6.316 -3.977 42 HG3 ARG 438 HG1 ARG 438 4.233 6.335 -3.263 43 HD2 ARG 438 HD2 ARG 438 3.149 4.088 -4.955 44 HD3 ARG 438 HD1 ARG 438 4.143 5.403 -5.576 45 HE ARG 438 HE ARG 438 5.689 4.457 -3.601 46 HH11 ARG 438 HH11 ARG 438 3.903 2.728 -6.087 47 HH12 ARG 438 HH12 ARG 438 5.131 1.512 -6.295 48 HH21 ARG 438 HH21 ARG 438 7.282 2.822 -3.854 49 HH22 ARG 438 HH22 ARG 438 7.021 1.554 -5.015 50 H LYS 439 HN LYS 439 2.238 8.267 -2.010 51 HA LYS 439 HA LYS 439 -0.664 8.300 -1.851 52 HB2 LYS 439 HB2 LYS 439 1.250 10.571 -2.393 53 HB3 LYS 439 HB1 LYS 439 -0.463 10.712 -2.026 54 HG2 LYS 439 HG2 LYS 439 -0.042 9.777 0.208 55 HG3 LYS 439 HG1 LYS 439 1.681 9.701 -0.168 56 HD2 LYS 439 HD2 LYS 439 -0.029 12.183 -0.034 57 HD3 LYS 439 HD1 LYS 439 1.212 11.696 1.122 58 HE2 LYS 439 HE2 LYS 439 1.675 12.373 -1.783 59 HE3 LYS 439 HE1 LYS 439 2.015 13.432 -0.417 60 HZ1 LYS 439 HZ1 LYS 439 3.651 11.880 0.378 61 HZ2 LYS 439 HZ2 LYS 439 3.997 12.277 -1.232 62 HZ3 LYS 439 HZ3 LYS 439 3.288 10.784 -0.868 63 H THR 440 HN THR 440 -1.729 7.719 -3.604 64 HA THR 440 HA THR 440 -0.718 8.336 -6.257 65 HB THR 440 HB THR 440 -3.476 7.429 -6.193 66 HG1 THR 440 HG1 THR 440 -2.926 6.437 -4.244 67 HG21 THR 440 HG21 THR 440 -0.874 6.385 -7.284 68 HG22 THR 440 HG22 THR 440 -2.219 7.117 -8.166 69 HG23 THR 440 HG23 THR 440 -2.393 5.508 -7.460 70 H ALA 441 HN ALA 441 -1.560 9.871 -7.624 71 HA ALA 441 HA ALA 441 -2.461 12.235 -6.433 72 HB1 ALA 441 HB1 ALA 441 -1.116 12.146 -8.477 73 HB2 ALA 441 HB2 ALA 441 -2.562 13.136 -8.676 74 HB3 ALA 441 HB3 ALA 441 -2.508 11.509 -9.356 75 H ASP 442 HN ASP 442 -4.295 9.534 -7.295 76 HA ASP 442 HA ASP 442 -6.696 10.878 -8.092 77 HB2 ASP 442 HB2 ASP 442 -6.144 8.502 -8.677 78 HB3 ASP 442 HB1 ASP 442 -6.408 8.075 -6.990 79 H GLY 443 HN GLY 443 -5.128 10.753 -5.189 80 HA2 GLY 443 HA2 GLY 443 -5.884 11.664 -3.159 81 HA3 GLY 443 HA1 GLY 443 -7.543 11.468 -3.716 82 H LYS 444 HN LYS 444 -5.016 9.045 -3.735 83 HA LYS 444 HA LYS 444 -6.335 7.587 -1.567 84 HB2 LYS 444 HB2 LYS 444 -5.639 6.407 -4.264 85 HB3 LYS 444 HB1 LYS 444 -6.182 5.485 -2.870 86 HG2 LYS 444 HG2 LYS 444 -8.312 6.721 -2.923 87 HG3 LYS 444 HG1 LYS 444 -7.760 7.554 -4.378 88 HD2 LYS 444 HD2 LYS 444 -7.586 5.426 -5.549 89 HD3 LYS 444 HD1 LYS 444 -8.084 4.568 -4.089 90 HE2 LYS 444 HE2 LYS 444 -9.739 6.573 -5.617 91 HE3 LYS 444 HE1 LYS 444 -9.941 4.822 -5.656 92 HZ1 LYS 444 HZ1 LYS 444 -10.475 4.854 -3.308 93 HZ2 LYS 444 HZ2 LYS 444 -11.523 5.877 -4.163 94 HZ3 LYS 444 HZ3 LYS 444 -10.256 6.539 -3.247 95 H THR 445 HN THR 445 -4.829 7.045 -0.122 96 HA THR 445 HA THR 445 -2.057 6.704 -0.957 97 HB THR 445 HB THR 445 -3.195 6.296 1.818 98 HG1 THR 445 HG1 THR 445 -3.710 8.399 1.295 99 HG21 THR 445 HG21 THR 445 -0.925 5.436 1.422 100 HG22 THR 445 HG22 THR 445 -0.915 6.802 2.537 101 HG23 THR 445 HG23 THR 445 -0.424 7.030 0.858 102 H TYR 446 HN TYR 446 -1.798 4.765 -2.016 103 HA TYR 446 HA TYR 446 -3.384 2.509 -1.068 104 HB2 TYR 446 HB2 TYR 446 -2.973 1.420 -3.124 105 HB3 TYR 446 HB1 TYR 446 -3.366 3.083 -3.502 106 HD1 TYR 446 HD1 TYR 446 -1.486 4.644 -4.184 107 HD2 TYR 446 HD2 TYR 446 -0.974 0.438 -3.831 108 HE1 TYR 446 HE1 TYR 446 0.511 4.776 -5.598 109 HE2 TYR 446 HE2 TYR 446 1.024 0.553 -5.251 110 HH TYR 446 HH TYR 446 2.288 3.689 -6.359 111 H TYR 447 HN TYR 447 -2.514 0.526 -0.543 112 HA TYR 447 HA TYR 447 0.217 0.773 0.474 113 HB2 TYR 447 HB2 TYR 447 -1.891 -1.148 1.471 114 HB3 TYR 447 HB1 TYR 447 -0.418 -0.619 2.293 115 HD1 TYR 447 HD1 TYR 447 -0.267 2.022 2.522 116 HD2 TYR 447 HD2 TYR 447 -3.882 -0.168 2.198 117 HE1 TYR 447 HE1 TYR 447 -1.482 3.924 3.493 118 HE2 TYR 447 HE2 TYR 447 -5.118 1.721 3.185 119 HH TYR 447 HH TYR 447 -3.786 4.814 3.472 120 H TYR 448 HN TYR 448 1.414 -0.049 -1.183 121 HA TYR 448 HA TYR 448 0.737 -2.583 -2.332 122 HB2 TYR 448 HB2 TYR 448 1.766 -0.900 -3.742 123 HB3 TYR 448 HB1 TYR 448 3.156 -0.798 -2.671 124 HD1 TYR 448 HD1 TYR 448 1.348 -3.173 -4.907 125 HD2 TYR 448 HD2 TYR 448 5.033 -2.121 -3.060 126 HE1 TYR 448 HE1 TYR 448 2.500 -4.894 -6.234 127 HE2 TYR 448 HE2 TYR 448 6.195 -3.841 -4.379 128 HH TYR 448 HH TYR 448 4.747 -5.404 -7.037 129 H ASN 449 HN ASN 449 1.282 -4.468 -1.527 130 HA ASN 449 HA ASN 449 3.166 -4.759 0.660 131 HB2 ASN 449 HB2 ASN 449 0.927 -5.826 0.750 132 HB3 ASN 449 HB1 ASN 449 1.291 -6.711 -0.723 133 HD21 ASN 449 HD21 ASN 449 0.486 -7.887 1.683 134 HD22 ASN 449 HD22 ASN 449 1.785 -8.866 2.275 135 H ASN 450 HN ASN 450 5.236 -5.243 0.212 136 HA ASN 450 HA ASN 450 5.908 -6.103 -2.492 137 HB2 ASN 450 HB2 ASN 450 8.241 -5.530 -1.873 138 HB3 ASN 450 HB1 ASN 450 7.136 -4.177 -1.673 139 HD21 ASN 450 HD21 ASN 450 8.434 -3.115 -0.222 140 HD22 ASN 450 HD22 ASN 450 8.696 -3.679 1.392 141 H ARG 451 HN ARG 451 5.219 -7.498 0.381 142 HA ARG 451 HA ARG 451 7.177 -9.623 0.292 143 HB2 ARG 451 HB2 ARG 451 4.610 -9.560 1.878 144 HB3 ARG 451 HB1 ARG 451 6.000 -10.594 2.154 145 HG2 ARG 451 HG2 ARG 451 5.989 -7.602 2.471 146 HG3 ARG 451 HG1 ARG 451 5.804 -8.763 3.784 147 HD2 ARG 451 HD2 ARG 451 8.042 -9.718 3.048 148 HD3 ARG 451 HD1 ARG 451 8.216 -8.270 2.054 149 HE ARG 451 HE ARG 451 7.661 -7.947 4.920 150 HH11 ARG 451 HH11 ARG 451 9.943 -7.674 2.264 151 HH12 ARG 451 HH12 ARG 451 11.053 -6.688 3.165 152 HH21 ARG 451 HH21 ARG 451 9.113 -6.645 6.080 153 HH22 ARG 451 HH22 ARG 451 10.581 -6.099 5.319 154 H THR 452 HN THR 452 3.802 -9.130 -0.572 155 HA THR 452 HA THR 452 3.750 -11.818 -1.783 156 HB THR 452 HB THR 452 1.266 -10.379 -0.898 157 HG1 THR 452 HG1 THR 452 1.515 -11.162 1.156 158 HG21 THR 452 HG21 THR 452 0.421 -12.660 -0.624 159 HG22 THR 452 HG22 THR 452 1.996 -13.306 -1.083 160 HG23 THR 452 HG23 THR 452 1.035 -12.409 -2.260 161 H LEU 453 HN LEU 453 3.952 -8.655 -2.608 162 HA LEU 453 HA LEU 453 3.483 -7.391 -4.438 163 HB2 LEU 453 HB2 LEU 453 2.929 -10.122 -5.579 164 HB3 LEU 453 HB1 LEU 453 2.694 -8.669 -6.529 165 HG LEU 453 HG LEU 453 5.124 -8.114 -6.087 166 HD11 LEU 453 HD11 LEU 453 5.487 -9.554 -4.164 167 HD12 LEU 453 HD12 LEU 453 6.594 -9.962 -5.475 168 HD13 LEU 453 HD13 LEU 453 5.187 -10.977 -5.159 169 HD21 LEU 453 HD21 LEU 453 4.349 -8.987 -8.214 170 HD22 LEU 453 HD22 LEU 453 4.486 -10.636 -7.605 171 HD23 LEU 453 HD23 LEU 453 5.934 -9.649 -7.810 172 H GLU 454 HN GLU 454 1.533 -7.913 -2.411 173 HA GLU 454 HA GLU 454 -1.064 -8.120 -3.725 174 HB2 GLU 454 HB2 GLU 454 -0.657 -9.361 -1.635 175 HB3 GLU 454 HB1 GLU 454 -0.267 -7.861 -0.810 176 HG2 GLU 454 HG2 GLU 454 -2.621 -7.109 -1.374 177 HG3 GLU 454 HG1 GLU 454 -2.929 -8.782 -1.823 178 H SER 455 HN SER 455 -2.617 -6.380 -3.663 179 HA SER 455 HA SER 455 -1.468 -3.849 -2.714 180 HB2 SER 455 HB2 SER 455 -3.659 -4.193 -4.769 181 HB3 SER 455 HB1 SER 455 -2.920 -2.675 -4.271 182 HG SER 455 HG SER 455 -0.964 -4.305 -4.951 183 H THR 456 HN THR 456 -2.172 -3.398 -0.746 184 HA THR 456 HA THR 456 -4.832 -4.267 0.133 185 HB THR 456 HB THR 456 -2.781 -3.048 1.953 186 HG1 THR 456 HG1 THR 456 -2.699 -5.807 1.204 187 HG21 THR 456 HG21 THR 456 -4.963 -3.694 2.854 188 HG22 THR 456 HG22 THR 456 -3.681 -4.691 3.537 189 HG23 THR 456 HG23 THR 456 -4.724 -5.340 2.271 190 H TRP 457 HN TRP 457 -6.371 -2.728 0.776 191 HA TRP 457 HA TRP 457 -5.535 0.074 0.407 192 HB2 TRP 457 HB2 TRP 457 -8.006 -1.275 -0.699 193 HB3 TRP 457 HB1 TRP 457 -7.758 0.475 -0.704 194 HD1 TRP 457 HD1 TRP 457 -5.974 -2.708 -2.009 195 HE1 TRP 457 HE1 TRP 457 -4.655 -2.093 -4.121 196 HE3 TRP 457 HE3 TRP 457 -7.033 2.295 -2.204 197 HZ2 TRP 457 HZ2 TRP 457 -4.090 0.186 -5.638 198 HZ3 TRP 457 HZ3 TRP 457 -6.088 3.618 -4.054 199 HH2 TRP 457 HH2 TRP 457 -4.662 2.581 -5.750 200 H GLU 458 HN GLU 458 -6.454 -1.925 2.680 201 HA GLU 458 HA GLU 458 -7.875 0.170 4.166 202 HB2 GLU 458 HB2 GLU 458 -8.729 -1.680 5.621 203 HB3 GLU 458 HB1 GLU 458 -9.325 -1.754 3.971 204 HG2 GLU 458 HG2 GLU 458 -6.904 -3.329 4.701 205 HG3 GLU 458 HG1 GLU 458 -8.489 -3.904 5.212 206 H LYS 459 HN LYS 459 -6.903 0.861 6.059 207 HA LYS 459 HA LYS 459 -4.237 -0.143 6.595 208 HB2 LYS 459 HB2 LYS 459 -5.857 2.090 7.809 209 HB3 LYS 459 HB1 LYS 459 -4.290 1.606 8.444 210 HG2 LYS 459 HG2 LYS 459 -3.328 2.039 6.184 211 HG3 LYS 459 HG1 LYS 459 -4.891 2.692 5.712 212 HD2 LYS 459 HD2 LYS 459 -3.361 4.477 6.352 213 HD3 LYS 459 HD1 LYS 459 -4.728 4.388 7.460 214 HE2 LYS 459 HE2 LYS 459 -2.677 4.747 8.694 215 HE3 LYS 459 HE1 LYS 459 -3.332 3.155 9.062 216 HZ1 LYS 459 HZ1 LYS 459 -1.080 3.722 7.188 217 HZ2 LYS 459 HZ2 LYS 459 -1.723 2.188 7.529 218 HZ3 LYS 459 HZ3 LYS 459 -0.948 3.066 8.750 219 HA PRO 460 HA PRO 460 -5.612 -3.221 9.624 220 HB2 PRO 460 HB2 PRO 460 -2.715 -2.881 10.257 221 HB3 PRO 460 HB1 PRO 460 -3.657 -4.364 10.071 222 HG2 PRO 460 HG2 PRO 460 -2.001 -3.532 8.150 223 HG3 PRO 460 HG1 PRO 460 -3.553 -4.299 7.764 224 HD2 PRO 460 HD2 PRO 460 -2.754 -1.444 7.575 225 HD3 PRO 460 HD1 PRO 460 -3.921 -2.363 6.603 Start of MODEL 16 1 H1 SER 433 HT1 SER 433 10.885 -1.523 5.929 2 H2 SER 433 HT2 SER 433 10.237 -2.418 7.214 3 H3 SER 433 HT3 SER 433 10.678 -0.794 7.447 4 HA SER 433 HA SER 433 8.297 -1.036 7.263 5 HB2 SER 433 HB2 SER 433 9.296 1.053 6.488 6 HB3 SER 433 HB1 SER 433 9.620 0.342 4.908 7 HG SER 433 HG SER 433 7.579 0.577 4.363 8 H GLU 434 HN GLU 434 6.986 -2.644 6.761 9 HA GLU 434 HA GLU 434 7.459 -4.146 4.307 10 HB2 GLU 434 HB2 GLU 434 5.779 -4.749 6.743 11 HB3 GLU 434 HB1 GLU 434 5.844 -5.782 5.326 12 HG2 GLU 434 HG2 GLU 434 7.291 -6.712 6.951 13 HG3 GLU 434 HG1 GLU 434 8.306 -6.008 5.696 14 H TRP 435 HN TRP 435 5.465 -1.717 5.476 15 HA TRP 435 HA TRP 435 3.421 -2.294 3.443 16 HB2 TRP 435 HB2 TRP 435 3.099 -0.751 6.029 17 HB3 TRP 435 HB1 TRP 435 1.839 -1.003 4.829 18 HD1 TRP 435 HD1 TRP 435 2.729 -2.260 8.051 19 HE1 TRP 435 HE1 TRP 435 1.870 -4.657 8.446 20 HE3 TRP 435 HE3 TRP 435 1.709 -3.558 3.213 21 HZ2 TRP 435 HZ2 TRP 435 0.892 -6.802 6.909 22 HZ3 TRP 435 HZ3 TRP 435 0.824 -5.805 2.764 23 HH2 TRP 435 HH2 TRP 435 0.419 -7.391 4.571 24 H THR 436 HN THR 436 3.256 -0.799 1.826 25 HA THR 436 HA THR 436 4.772 1.684 2.120 26 HB THR 436 HB THR 436 3.591 0.367 -0.333 27 HG1 THR 436 HG1 THR 436 5.747 -0.215 0.927 28 HG21 THR 436 HG21 THR 436 4.819 2.086 -1.615 29 HG22 THR 436 HG22 THR 436 5.232 2.896 -0.102 30 HG23 THR 436 HG23 THR 436 3.546 2.784 -0.610 31 H GLU 437 HN GLU 437 3.596 3.284 2.992 32 HA GLU 437 HA GLU 437 0.820 3.676 2.181 33 HB2 GLU 437 HB2 GLU 437 2.447 5.606 3.831 34 HB3 GLU 437 HB1 GLU 437 0.705 5.386 3.814 35 HG2 GLU 437 HG2 GLU 437 2.568 3.262 4.820 36 HG3 GLU 437 HG1 GLU 437 1.987 4.567 5.847 37 H ARG 438 HN ARG 438 0.888 4.256 0.026 38 HA ARG 438 HA ARG 438 2.728 6.444 -0.657 39 HB2 ARG 438 HB2 ARG 438 3.454 4.454 -1.764 40 HB3 ARG 438 HB1 ARG 438 1.822 4.081 -2.299 41 HG2 ARG 438 HG2 ARG 438 1.839 5.915 -3.840 42 HG3 ARG 438 HG1 ARG 438 3.387 6.482 -3.213 43 HD2 ARG 438 HD2 ARG 438 3.016 3.769 -4.455 44 HD3 ARG 438 HD1 ARG 438 3.469 5.196 -5.386 45 HE ARG 438 HE ARG 438 5.114 4.409 -3.092 46 HH11 ARG 438 HH11 ARG 438 4.725 4.738 -6.559 47 HH12 ARG 438 HH12 ARG 438 6.434 4.607 -6.883 48 HH21 ARG 438 HH21 ARG 438 7.336 4.247 -3.505 49 HH22 ARG 438 HH22 ARG 438 7.917 4.377 -5.141 50 H LYS 439 HN LYS 439 1.910 8.131 -2.106 51 HA LYS 439 HA LYS 439 -1.010 8.225 -2.153 52 HB2 LYS 439 HB2 LYS 439 -0.691 10.678 -2.453 53 HB3 LYS 439 HB1 LYS 439 -0.017 10.062 -0.951 54 HG2 LYS 439 HG2 LYS 439 2.218 10.034 -2.013 55 HG3 LYS 439 HG1 LYS 439 1.509 10.777 -3.446 56 HD2 LYS 439 HD2 LYS 439 0.792 12.691 -2.069 57 HD3 LYS 439 HD1 LYS 439 1.569 11.953 -0.669 58 HE2 LYS 439 HE2 LYS 439 2.924 12.851 -3.207 59 HE3 LYS 439 HE1 LYS 439 3.008 13.649 -1.638 60 HZ1 LYS 439 HZ1 LYS 439 4.054 11.607 -0.758 61 HZ2 LYS 439 HZ2 LYS 439 4.978 12.364 -1.962 62 HZ3 LYS 439 HZ3 LYS 439 4.088 10.972 -2.334 63 H THR 440 HN THR 440 -1.975 7.851 -4.013 64 HA THR 440 HA THR 440 -0.484 8.111 -6.499 65 HB THR 440 HB THR 440 -1.931 6.129 -6.195 66 HG1 THR 440 HG1 THR 440 -1.587 6.772 -8.320 67 HG21 THR 440 HG21 THR 440 -4.355 6.334 -6.286 68 HG22 THR 440 HG22 THR 440 -4.219 8.093 -6.289 69 HG23 THR 440 HG23 THR 440 -3.716 7.173 -4.871 70 H ALA 441 HN ALA 441 -1.183 9.422 -8.240 71 HA ALA 441 HA ALA 441 -1.848 12.049 -7.450 72 HB1 ALA 441 HB1 ALA 441 -0.378 11.559 -9.331 73 HB2 ALA 441 HB2 ALA 441 -1.720 12.595 -9.817 74 HB3 ALA 441 HB3 ALA 441 -1.739 10.877 -10.222 75 H ASP 442 HN ASP 442 -3.860 9.457 -7.863 76 HA ASP 442 HA ASP 442 -6.126 10.871 -8.949 77 HB2 ASP 442 HB2 ASP 442 -5.793 8.400 -9.209 78 HB3 ASP 442 HB1 ASP 442 -6.072 8.222 -7.480 79 H GLY 443 HN GLY 443 -4.516 10.993 -6.086 80 HA2 GLY 443 HA2 GLY 443 -5.056 12.387 -4.294 81 HA3 GLY 443 HA1 GLY 443 -6.729 12.399 -4.829 82 H LYS 444 HN LYS 444 -4.717 9.566 -4.204 83 HA LYS 444 HA LYS 444 -6.270 8.991 -1.791 84 HB2 LYS 444 HB2 LYS 444 -6.042 7.081 -4.131 85 HB3 LYS 444 HB1 LYS 444 -6.678 6.659 -2.551 86 HG2 LYS 444 HG2 LYS 444 -8.516 8.194 -2.834 87 HG3 LYS 444 HG1 LYS 444 -7.851 8.747 -4.375 88 HD2 LYS 444 HD2 LYS 444 -8.124 6.505 -5.303 89 HD3 LYS 444 HD1 LYS 444 -8.768 5.939 -3.761 90 HE2 LYS 444 HE2 LYS 444 -10.522 6.438 -5.430 91 HE3 LYS 444 HE1 LYS 444 -10.665 7.396 -3.956 92 HZ1 LYS 444 HZ1 LYS 444 -11.004 8.741 -5.941 93 HZ2 LYS 444 HZ2 LYS 444 -9.454 8.331 -6.507 94 HZ3 LYS 444 HZ3 LYS 444 -9.628 9.246 -5.092 95 H THR 445 HN THR 445 -5.066 8.075 -0.228 96 HA THR 445 HA THR 445 -2.382 7.188 -0.887 97 HB THR 445 HB THR 445 -2.640 8.588 1.106 98 HG1 THR 445 HG1 THR 445 -1.307 7.371 2.355 99 HG21 THR 445 HG21 THR 445 -3.749 7.717 3.123 100 HG22 THR 445 HG22 THR 445 -4.320 6.327 2.201 101 HG23 THR 445 HG23 THR 445 -4.887 7.949 1.797 102 H TYR 446 HN TYR 446 -1.802 5.067 -1.040 103 HA TYR 446 HA TYR 446 -3.804 3.073 -0.247 104 HB2 TYR 446 HB2 TYR 446 -3.547 1.869 -2.302 105 HB3 TYR 446 HB1 TYR 446 -3.974 3.528 -2.686 106 HD1 TYR 446 HD1 TYR 446 -2.109 5.091 -3.473 107 HD2 TYR 446 HD2 TYR 446 -1.637 0.869 -3.198 108 HE1 TYR 446 HE1 TYR 446 -0.207 5.206 -5.030 109 HE2 TYR 446 HE2 TYR 446 0.265 0.976 -4.750 110 HH TYR 446 HH TYR 446 1.181 2.377 -6.444 111 H TYR 447 HN TYR 447 -2.994 1.025 0.241 112 HA TYR 447 HA TYR 447 -0.203 1.178 1.096 113 HB2 TYR 447 HB2 TYR 447 -2.098 -0.861 2.182 114 HB3 TYR 447 HB1 TYR 447 -0.769 -0.026 2.984 115 HD1 TYR 447 HD1 TYR 447 -1.176 2.653 3.128 116 HD2 TYR 447 HD2 TYR 447 -4.224 -0.303 2.858 117 HE1 TYR 447 HE1 TYR 447 -2.791 4.235 4.094 118 HE2 TYR 447 HE2 TYR 447 -5.843 1.268 3.824 119 HH TYR 447 HH TYR 447 -5.858 3.272 5.213 120 H TYR 448 HN TYR 448 0.895 0.343 -0.624 121 HA TYR 448 HA TYR 448 0.056 -2.158 -1.775 122 HB2 TYR 448 HB2 TYR 448 1.029 -0.452 -3.229 123 HB3 TYR 448 HB1 TYR 448 2.519 -0.478 -2.288 124 HD1 TYR 448 HD1 TYR 448 0.325 -2.759 -4.273 125 HD2 TYR 448 HD2 TYR 448 4.272 -1.824 -2.989 126 HE1 TYR 448 HE1 TYR 448 1.212 -4.546 -5.711 127 HE2 TYR 448 HE2 TYR 448 5.167 -3.609 -4.423 128 HH TYR 448 HH TYR 448 3.215 -5.241 -6.774 129 H ASN 449 HN ASN 449 0.835 -4.092 -1.346 130 HA ASN 449 HA ASN 449 2.521 -4.446 0.991 131 HB2 ASN 449 HB2 ASN 449 0.369 -5.629 0.804 132 HB3 ASN 449 HB1 ASN 449 0.888 -6.359 -0.705 133 HD21 ASN 449 HD21 ASN 449 -0.078 -7.701 1.560 134 HD22 ASN 449 HD22 ASN 449 1.186 -8.723 2.148 135 H ASN 450 HN ASN 450 4.645 -4.677 0.700 136 HA ASN 450 HA ASN 450 5.642 -5.452 -1.939 137 HB2 ASN 450 HB2 ASN 450 6.429 -3.341 -0.773 138 HB3 ASN 450 HB1 ASN 450 7.226 -4.377 0.404 139 HD21 ASN 450 HD21 ASN 450 7.004 -5.109 -3.017 140 HD22 ASN 450 HD22 ASN 450 8.687 -4.922 -3.353 141 H ARG 451 HN ARG 451 4.834 -6.919 0.860 142 HA ARG 451 HA ARG 451 7.099 -8.637 1.246 143 HB2 ARG 451 HB2 ARG 451 4.273 -9.082 2.214 144 HB3 ARG 451 HB1 ARG 451 5.733 -9.829 2.842 145 HG2 ARG 451 HG2 ARG 451 6.499 -7.580 3.570 146 HG3 ARG 451 HG1 ARG 451 4.937 -6.936 3.066 147 HD2 ARG 451 HD2 ARG 451 5.438 -9.024 5.184 148 HD3 ARG 451 HD1 ARG 451 4.892 -7.368 5.440 149 HE ARG 451 HE ARG 451 2.982 -8.399 3.826 150 HH11 ARG 451 HH11 ARG 451 4.389 -9.422 6.863 151 HH12 ARG 451 HH12 ARG 451 2.964 -10.261 7.390 152 HH21 ARG 451 HH21 ARG 451 1.071 -9.490 4.532 153 HH22 ARG 451 HH22 ARG 451 1.072 -10.283 6.080 154 H THR 452 HN THR 452 3.841 -9.080 -0.092 155 HA THR 452 HA THR 452 4.820 -11.506 -1.449 156 HB THR 452 HB THR 452 3.215 -12.093 0.298 157 HG1 THR 452 HG1 THR 452 2.218 -12.348 -2.368 158 HG21 THR 452 HG21 THR 452 0.877 -11.374 0.165 159 HG22 THR 452 HG22 THR 452 1.273 -10.321 -1.194 160 HG23 THR 452 HG23 THR 452 1.957 -9.999 0.400 161 H LEU 453 HN LEU 453 4.052 -8.417 -2.016 162 HA LEU 453 HA LEU 453 3.408 -7.180 -3.794 163 HB2 LEU 453 HB2 LEU 453 3.312 -9.750 -5.373 164 HB3 LEU 453 HB1 LEU 453 3.357 -8.122 -6.025 165 HG LEU 453 HG LEU 453 5.578 -9.561 -4.572 166 HD11 LEU 453 HD11 LEU 453 5.244 -10.217 -6.900 167 HD12 LEU 453 HD12 LEU 453 6.759 -9.341 -6.682 168 HD13 LEU 453 HD13 LEU 453 5.364 -8.528 -7.393 169 HD21 LEU 453 HD21 LEU 453 5.576 -7.227 -3.896 170 HD22 LEU 453 HD22 LEU 453 5.486 -6.719 -5.581 171 HD23 LEU 453 HD23 LEU 453 6.925 -7.547 -4.986 172 H GLU 454 HN GLU 454 1.535 -6.824 -2.555 173 HA GLU 454 HA GLU 454 -0.920 -8.025 -3.634 174 HB2 GLU 454 HB2 GLU 454 -0.404 -9.262 -1.616 175 HB3 GLU 454 HB1 GLU 454 -0.107 -7.778 -0.729 176 HG2 GLU 454 HG2 GLU 454 -2.499 -7.209 -0.952 177 HG3 GLU 454 HG1 GLU 454 -2.758 -8.760 -1.750 178 H SER 455 HN SER 455 -2.747 -6.619 -3.516 179 HA SER 455 HA SER 455 -2.034 -3.821 -2.956 180 HB2 SER 455 HB2 SER 455 -2.966 -4.532 -5.231 181 HB3 SER 455 HB1 SER 455 -4.503 -4.787 -4.408 182 HG SER 455 HG SER 455 -3.296 -2.460 -5.189 183 H THR 456 HN THR 456 -2.582 -3.141 -0.979 184 HA THR 456 HA THR 456 -4.981 -4.304 0.279 185 HB THR 456 HB THR 456 -2.530 -3.341 1.755 186 HG1 THR 456 HG1 THR 456 -2.557 -5.926 1.904 187 HG21 THR 456 HG21 THR 456 -4.577 -3.453 3.083 188 HG22 THR 456 HG22 THR 456 -3.448 -4.714 3.577 189 HG23 THR 456 HG23 THR 456 -4.833 -5.119 2.565 190 H TRP 457 HN TRP 457 -6.548 -2.861 0.620 191 HA TRP 457 HA TRP 457 -5.755 -0.034 0.894 192 HB2 TRP 457 HB2 TRP 457 -8.220 -1.211 -0.418 193 HB3 TRP 457 HB1 TRP 457 -7.960 0.519 -0.155 194 HD1 TRP 457 HD1 TRP 457 -5.988 -2.392 -1.798 195 HE1 TRP 457 HE1 TRP 457 -4.764 -1.499 -3.864 196 HE3 TRP 457 HE3 TRP 457 -7.509 2.500 -1.586 197 HZ2 TRP 457 HZ2 TRP 457 -4.461 0.930 -5.211 198 HZ3 TRP 457 HZ3 TRP 457 -6.710 4.045 -3.339 199 HH2 TRP 457 HH2 TRP 457 -5.235 3.270 -5.123 200 H GLU 458 HN GLU 458 -6.707 -2.513 2.666 201 HA GLU 458 HA GLU 458 -8.090 -0.775 4.607 202 HB2 GLU 458 HB2 GLU 458 -7.979 -3.799 4.437 203 HB3 GLU 458 HB1 GLU 458 -8.673 -2.913 5.783 204 HG2 GLU 458 HG2 GLU 458 -10.500 -3.547 4.508 205 HG3 GLU 458 HG1 GLU 458 -10.234 -1.863 4.068 206 H LYS 459 HN LYS 459 -6.949 -0.258 6.453 207 HA LYS 459 HA LYS 459 -4.210 -1.120 6.594 208 HB2 LYS 459 HB2 LYS 459 -5.832 0.595 8.476 209 HB3 LYS 459 HB1 LYS 459 -4.119 0.257 8.679 210 HG2 LYS 459 HG2 LYS 459 -3.886 1.208 6.295 211 HG3 LYS 459 HG1 LYS 459 -5.483 1.897 6.587 212 HD2 LYS 459 HD2 LYS 459 -3.859 3.545 7.173 213 HD3 LYS 459 HD1 LYS 459 -4.566 2.934 8.670 214 HE2 LYS 459 HE2 LYS 459 -2.131 3.175 8.848 215 HE3 LYS 459 HE1 LYS 459 -2.633 1.493 9.015 216 HZ1 LYS 459 HZ1 LYS 459 -1.371 2.777 6.644 217 HZ2 LYS 459 HZ2 LYS 459 -2.088 1.246 6.595 218 HZ3 LYS 459 HZ3 LYS 459 -0.757 1.512 7.599 219 HA PRO 460 HA PRO 460 -5.094 -4.727 9.093 220 HB2 PRO 460 HB2 PRO 460 -2.470 -5.361 9.530 221 HB3 PRO 460 HB1 PRO 460 -3.346 -5.786 8.056 222 HG2 PRO 460 HG2 PRO 460 -1.460 -3.519 8.554 223 HG3 PRO 460 HG1 PRO 460 -1.604 -4.565 7.129 224 HD2 PRO 460 HD2 PRO 460 -2.629 -2.068 7.196 225 HD3 PRO 460 HD1 PRO 460 -3.398 -3.385 6.288 Start of MODEL 17 1 H1 SER 433 HT1 SER 433 7.921 -3.213 8.035 2 H2 SER 433 HT2 SER 433 6.458 -2.353 8.100 3 H3 SER 433 HT3 SER 433 7.781 -1.845 9.023 4 HA SER 433 HA SER 433 7.415 -0.468 7.044 5 HB2 SER 433 HB2 SER 433 10.000 -2.041 6.975 6 HB3 SER 433 HB1 SER 433 9.754 -0.365 6.481 7 HG SER 433 HG SER 433 9.611 0.260 8.555 8 H GLU 434 HN GLU 434 6.415 -3.358 6.525 9 HA GLU 434 HA GLU 434 7.458 -3.905 3.871 10 HB2 GLU 434 HB2 GLU 434 6.102 -5.930 3.979 11 HB3 GLU 434 HB1 GLU 434 7.080 -5.759 5.425 12 HG2 GLU 434 HG2 GLU 434 4.211 -4.896 5.337 13 HG3 GLU 434 HG1 GLU 434 4.689 -6.547 5.722 14 H TRP 435 HN TRP 435 5.141 -1.935 5.114 15 HA TRP 435 HA TRP 435 3.330 -2.239 2.830 16 HB2 TRP 435 HB2 TRP 435 2.914 -0.544 5.299 17 HB3 TRP 435 HB1 TRP 435 1.713 -0.982 4.094 18 HD1 TRP 435 HD1 TRP 435 2.318 -1.730 7.472 19 HE1 TRP 435 HE1 TRP 435 1.556 -4.095 8.158 20 HE3 TRP 435 HE3 TRP 435 1.984 -3.848 2.831 21 HZ2 TRP 435 HZ2 TRP 435 0.920 -6.532 6.895 22 HZ3 TRP 435 HZ3 TRP 435 1.330 -6.213 2.662 23 HH2 TRP 435 HH2 TRP 435 0.786 -7.519 4.647 24 H THR 436 HN THR 436 3.658 -0.840 1.153 25 HA THR 436 HA THR 436 5.069 1.660 1.665 26 HB THR 436 HB THR 436 4.183 0.381 -0.929 27 HG1 THR 436 HG1 THR 436 6.549 0.417 0.578 28 HG21 THR 436 HG21 THR 436 5.814 2.890 -0.490 29 HG22 THR 436 HG22 THR 436 4.169 2.830 -1.125 30 HG23 THR 436 HG23 THR 436 5.499 2.127 -2.047 31 H GLU 437 HN GLU 437 3.708 3.122 2.565 32 HA GLU 437 HA GLU 437 1.060 3.522 1.423 33 HB2 GLU 437 HB2 GLU 437 2.193 5.424 3.423 34 HB3 GLU 437 HB1 GLU 437 0.552 4.813 3.267 35 HG2 GLU 437 HG2 GLU 437 1.079 3.654 5.102 36 HG3 GLU 437 HG1 GLU 437 1.858 2.555 3.963 37 H ARG 438 HN ARG 438 1.220 4.445 -0.552 38 HA ARG 438 HA ARG 438 3.050 6.717 -0.809 39 HB2 ARG 438 HB2 ARG 438 3.588 4.925 -2.335 40 HB3 ARG 438 HB1 ARG 438 1.929 4.867 -2.917 41 HG2 ARG 438 HG2 ARG 438 2.148 6.961 -4.013 42 HG3 ARG 438 HG1 ARG 438 3.694 7.283 -3.229 43 HD2 ARG 438 HD2 ARG 438 3.195 5.012 -5.144 44 HD3 ARG 438 HD1 ARG 438 3.883 6.570 -5.603 45 HE ARG 438 HE ARG 438 5.563 5.857 -3.684 46 HH11 ARG 438 HH11 ARG 438 4.219 3.898 -6.253 47 HH12 ARG 438 HH12 ARG 438 5.642 2.906 -6.414 48 HH21 ARG 438 HH21 ARG 438 7.418 4.561 -3.871 49 HH22 ARG 438 HH22 ARG 438 7.466 3.285 -5.057 50 H LYS 439 HN LYS 439 2.189 8.774 -1.589 51 HA LYS 439 HA LYS 439 -0.703 8.946 -1.481 52 HB2 LYS 439 HB2 LYS 439 0.544 10.554 -0.162 53 HB3 LYS 439 HB1 LYS 439 1.463 11.055 -1.572 54 HG2 LYS 439 HG2 LYS 439 -0.590 11.938 -2.582 55 HG3 LYS 439 HG1 LYS 439 -1.490 11.463 -1.139 56 HD2 LYS 439 HD2 LYS 439 -0.186 12.971 0.223 57 HD3 LYS 439 HD1 LYS 439 0.856 13.364 -1.144 58 HE2 LYS 439 HE2 LYS 439 -0.770 15.134 -0.760 59 HE3 LYS 439 HE1 LYS 439 -1.046 14.352 -2.316 60 HZ1 LYS 439 HZ1 LYS 439 -2.850 13.093 -1.347 61 HZ2 LYS 439 HZ2 LYS 439 -3.109 14.750 -1.103 62 HZ3 LYS 439 HZ3 LYS 439 -2.562 13.782 0.178 63 H THR 440 HN THR 440 -1.511 8.246 -3.387 64 HA THR 440 HA THR 440 -0.441 9.260 -5.888 65 HB THR 440 HB THR 440 -2.966 7.907 -6.187 66 HG1 THR 440 HG1 THR 440 -2.590 6.860 -4.257 67 HG21 THR 440 HG21 THR 440 -0.134 7.125 -6.895 68 HG22 THR 440 HG22 THR 440 -1.264 8.010 -7.919 69 HG23 THR 440 HG23 THR 440 -1.590 6.329 -7.493 70 H ALA 441 HN ALA 441 -1.440 10.738 -7.207 71 HA ALA 441 HA ALA 441 -3.082 12.670 -5.897 72 HB1 ALA 441 HB1 ALA 441 -2.955 13.902 -7.990 73 HB2 ALA 441 HB2 ALA 441 -2.288 12.484 -8.798 74 HB3 ALA 441 HB3 ALA 441 -1.369 13.289 -7.526 75 H ASP 442 HN ASP 442 -3.861 9.797 -7.299 76 HA ASP 442 HA ASP 442 -6.316 10.405 -8.592 77 HB2 ASP 442 HB2 ASP 442 -4.943 8.286 -8.826 78 HB3 ASP 442 HB1 ASP 442 -5.554 7.800 -7.251 79 H GLY 443 HN GLY 443 -5.443 10.816 -5.463 80 HA2 GLY 443 HA2 GLY 443 -6.829 11.620 -3.754 81 HA3 GLY 443 HA1 GLY 443 -8.217 10.928 -4.586 82 H LYS 444 HN LYS 444 -5.344 9.060 -4.057 83 HA LYS 444 HA LYS 444 -6.611 7.598 -1.862 84 HB2 LYS 444 HB2 LYS 444 -5.670 6.297 -4.429 85 HB3 LYS 444 HB1 LYS 444 -6.258 5.451 -3.006 86 HG2 LYS 444 HG2 LYS 444 -8.461 6.175 -3.345 87 HG3 LYS 444 HG1 LYS 444 -7.961 7.431 -4.479 88 HD2 LYS 444 HD2 LYS 444 -7.201 5.638 -6.028 89 HD3 LYS 444 HD1 LYS 444 -7.887 4.450 -4.917 90 HE2 LYS 444 HE2 LYS 444 -10.087 5.244 -5.277 91 HE3 LYS 444 HE1 LYS 444 -9.505 6.699 -6.086 92 HZ1 LYS 444 HZ1 LYS 444 -10.338 5.129 -7.692 93 HZ2 LYS 444 HZ2 LYS 444 -9.297 3.918 -7.120 94 HZ3 LYS 444 HZ3 LYS 444 -8.663 5.295 -7.881 95 H THR 445 HN THR 445 -5.136 7.196 -0.342 96 HA THR 445 HA THR 445 -2.299 7.049 -1.074 97 HB THR 445 HB THR 445 -3.535 6.911 1.687 98 HG1 THR 445 HG1 THR 445 -3.727 8.944 0.246 99 HG21 THR 445 HG21 THR 445 -0.711 7.520 0.793 100 HG22 THR 445 HG22 THR 445 -1.254 6.019 1.539 101 HG23 THR 445 HG23 THR 445 -1.291 7.521 2.458 102 H TYR 446 HN TYR 446 -1.901 5.047 -1.926 103 HA TYR 446 HA TYR 446 -3.401 2.783 -0.873 104 HB2 TYR 446 HB2 TYR 446 -2.693 1.552 -2.792 105 HB3 TYR 446 HB1 TYR 446 -3.227 3.134 -3.333 106 HD1 TYR 446 HD2 TYR 446 -0.304 0.955 -2.826 107 HD2 TYR 446 HD1 TYR 446 -1.703 4.636 -4.432 108 HE1 TYR 446 HE2 TYR 446 1.797 1.203 -4.075 109 HE2 TYR 446 HE1 TYR 446 0.391 4.885 -5.695 110 HH TYR 446 HH TYR 446 2.645 2.317 -6.020 111 H TYR 447 HN TYR 447 -2.448 0.874 -0.161 112 HA TYR 447 HA TYR 447 0.315 1.193 0.794 113 HB2 TYR 447 HB2 TYR 447 -1.674 -0.625 2.129 114 HB3 TYR 447 HB1 TYR 447 -0.244 0.147 2.812 115 HD1 TYR 447 HD1 TYR 447 -0.317 2.704 3.124 116 HD2 TYR 447 HD2 TYR 447 -3.784 0.354 2.381 117 HE1 TYR 447 HE1 TYR 447 -1.724 4.541 3.940 118 HE2 TYR 447 HE2 TYR 447 -5.203 2.182 3.207 119 HH TYR 447 HH TYR 447 -3.994 5.344 3.718 120 H TYR 448 HN TYR 448 1.333 0.186 -0.883 121 HA TYR 448 HA TYR 448 0.431 -2.401 -1.804 122 HB2 TYR 448 HB2 TYR 448 1.202 -0.841 -3.461 123 HB3 TYR 448 HB1 TYR 448 2.726 -0.615 -2.617 124 HD1 TYR 448 HD1 TYR 448 0.717 -3.132 -4.484 125 HD2 TYR 448 HD2 TYR 448 4.573 -1.958 -3.127 126 HE1 TYR 448 HE1 TYR 448 1.735 -4.888 -5.870 127 HE2 TYR 448 HE2 TYR 448 5.602 -3.709 -4.509 128 HH TYR 448 HH TYR 448 4.967 -5.850 -5.540 129 H ASN 449 HN ASN 449 1.199 -4.293 -1.169 130 HA ASN 449 HA ASN 449 3.316 -4.436 0.810 131 HB2 ASN 449 HB2 ASN 449 1.436 -5.737 1.382 132 HB3 ASN 449 HB1 ASN 449 1.250 -6.347 -0.259 133 HD21 ASN 449 HD21 ASN 449 2.996 -6.668 2.736 134 HD22 ASN 449 HD22 ASN 449 3.679 -8.219 2.388 135 H ASN 450 HN ASN 450 5.302 -5.198 0.441 136 HA ASN 450 HA ASN 450 5.906 -6.144 -2.274 137 HB2 ASN 450 HB2 ASN 450 8.241 -5.457 -1.802 138 HB3 ASN 450 HB1 ASN 450 7.110 -4.116 -1.694 139 HD21 ASN 450 HD21 ASN 450 8.472 -2.903 -0.410 140 HD22 ASN 450 HD22 ASN 450 8.785 -3.296 1.249 141 H ARG 451 HN ARG 451 5.187 -7.447 0.574 142 HA ARG 451 HA ARG 451 7.435 -9.244 0.797 143 HB2 ARG 451 HB2 ARG 451 4.920 -9.025 2.422 144 HB3 ARG 451 HB1 ARG 451 6.151 -10.245 2.704 145 HG2 ARG 451 HG2 ARG 451 6.564 -7.265 2.870 146 HG3 ARG 451 HG1 ARG 451 6.368 -8.360 4.237 147 HD2 ARG 451 HD2 ARG 451 8.692 -7.971 4.030 148 HD3 ARG 451 HD1 ARG 451 8.408 -9.589 3.391 149 HE ARG 451 HE ARG 451 8.411 -7.466 1.422 150 HH11 ARG 451 HH11 ARG 451 10.372 -9.812 3.153 151 HH12 ARG 451 HH12 ARG 451 11.551 -9.949 1.875 152 HH21 ARG 451 HH21 ARG 451 9.974 -7.638 -0.242 153 HH22 ARG 451 HH22 ARG 451 11.335 -8.695 -0.036 154 H THR 452 HN THR 452 3.973 -9.574 0.140 155 HA THR 452 HA THR 452 4.562 -12.157 -1.152 156 HB THR 452 HB THR 452 2.008 -12.519 -0.704 157 HG1 THR 452 HG1 THR 452 1.104 -11.190 0.699 158 HG21 THR 452 HG21 THR 452 3.787 -13.889 0.262 159 HG22 THR 452 HG22 THR 452 2.524 -13.567 1.452 160 HG23 THR 452 HG23 THR 452 4.045 -12.678 1.518 161 H LEU 453 HN LEU 453 3.923 -9.052 -1.751 162 HA LEU 453 HA LEU 453 3.267 -7.859 -3.545 163 HB2 LEU 453 HB2 LEU 453 2.861 -10.509 -4.934 164 HB3 LEU 453 HB1 LEU 453 2.902 -8.936 -5.705 165 HG LEU 453 HG LEU 453 5.218 -10.272 -4.303 166 HD11 LEU 453 HD11 LEU 453 4.671 -11.317 -6.428 167 HD12 LEU 453 HD12 LEU 453 6.187 -10.421 -6.540 168 HD13 LEU 453 HD13 LEU 453 4.708 -9.744 -7.225 169 HD21 LEU 453 HD21 LEU 453 6.548 -8.404 -5.171 170 HD22 LEU 453 HD22 LEU 453 5.309 -7.856 -4.044 171 HD23 LEU 453 HD23 LEU 453 5.079 -7.646 -5.780 172 H GLU 454 HN GLU 454 1.540 -7.322 -2.126 173 HA GLU 454 HA GLU 454 -1.068 -8.184 -3.164 174 HB2 GLU 454 HB2 GLU 454 -0.655 -9.351 -1.029 175 HB3 GLU 454 HB1 GLU 454 -0.349 -7.805 -0.244 176 HG2 GLU 454 HG2 GLU 454 -2.684 -7.137 -0.838 177 HG3 GLU 454 HG1 GLU 454 -2.946 -8.785 -1.393 178 H SER 455 HN SER 455 -2.504 -6.504 -3.453 179 HA SER 455 HA SER 455 -1.549 -3.840 -2.742 180 HB2 SER 455 HB2 SER 455 -3.445 -3.071 -4.196 181 HB3 SER 455 HB1 SER 455 -2.260 -4.075 -5.033 182 HG SER 455 HG SER 455 -4.630 -5.120 -3.890 183 H THR 456 HN THR 456 -2.024 -3.374 -0.673 184 HA THR 456 HA THR 456 -4.637 -4.155 0.402 185 HB THR 456 HB THR 456 -2.383 -2.957 1.999 186 HG1 THR 456 HG1 THR 456 -2.706 -5.767 1.630 187 HG21 THR 456 HG21 THR 456 -4.566 -3.192 3.082 188 HG22 THR 456 HG22 THR 456 -3.380 -4.272 3.810 189 HG23 THR 456 HG23 THR 456 -4.583 -4.909 2.688 190 H TRP 457 HN TRP 457 -6.197 -2.652 0.339 191 HA TRP 457 HA TRP 457 -5.364 0.168 0.284 192 HB2 TRP 457 HB2 TRP 457 -7.761 -1.175 -0.983 193 HB3 TRP 457 HB1 TRP 457 -7.506 0.572 -0.961 194 HD1 TRP 457 HD1 TRP 457 -5.640 -2.600 -2.189 195 HE1 TRP 457 HE1 TRP 457 -4.286 -1.982 -4.281 196 HE3 TRP 457 HE3 TRP 457 -6.744 2.389 -2.435 197 HZ2 TRP 457 HZ2 TRP 457 -3.728 0.300 -5.811 198 HZ3 TRP 457 HZ3 TRP 457 -5.772 3.711 -4.266 199 HH2 TRP 457 HH2 TRP 457 -4.303 2.689 -5.927 200 H GLU 458 HN GLU 458 -6.418 -1.954 2.378 201 HA GLU 458 HA GLU 458 -8.032 0.015 3.848 202 HB2 GLU 458 HB2 GLU 458 -8.958 -1.972 5.098 203 HB3 GLU 458 HB1 GLU 458 -9.450 -1.859 3.417 204 HG2 GLU 458 HG2 GLU 458 -7.742 -3.533 2.831 205 HG3 GLU 458 HG1 GLU 458 -7.325 -3.674 4.538 206 H LYS 459 HN LYS 459 -7.306 0.581 5.861 207 HA LYS 459 HA LYS 459 -4.574 -0.120 6.423 208 HB2 LYS 459 HB2 LYS 459 -6.510 1.712 7.825 209 HB3 LYS 459 HB1 LYS 459 -4.850 1.465 8.352 210 HG2 LYS 459 HG2 LYS 459 -4.200 2.151 5.974 211 HG3 LYS 459 HG1 LYS 459 -5.852 2.754 5.846 212 HD2 LYS 459 HD2 LYS 459 -4.266 4.511 6.506 213 HD3 LYS 459 HD1 LYS 459 -5.486 4.221 7.752 214 HE2 LYS 459 HE2 LYS 459 -3.907 2.887 9.020 215 HE3 LYS 459 HE1 LYS 459 -2.702 3.059 7.746 216 HZ1 LYS 459 HZ1 LYS 459 -2.696 5.459 8.161 217 HZ2 LYS 459 HZ2 LYS 459 -2.242 4.573 9.530 218 HZ3 LYS 459 HZ3 LYS 459 -3.793 5.244 9.440 219 HA PRO 460 HA PRO 460 -5.509 -3.502 9.315 220 HB2 PRO 460 HB2 PRO 460 -2.696 -2.856 10.034 221 HB3 PRO 460 HB1 PRO 460 -3.437 -4.421 9.688 222 HG2 PRO 460 HG2 PRO 460 -1.835 -3.197 7.921 223 HG3 PRO 460 HG1 PRO 460 -3.228 -4.167 7.409 224 HD2 PRO 460 HD2 PRO 460 -2.882 -1.214 7.450 225 HD3 PRO 460 HD1 PRO 460 -3.846 -2.236 6.362
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