NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
582344 | 2mof | 19941 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 369 HT1 SER 369 23.288 4.863 -30.290 2 H2 SER 369 HT2 SER 369 23.437 5.872 -31.649 3 H3 SER 369 HT3 SER 369 23.584 4.188 -31.817 4 HA SER 369 HA SER 369 21.388 5.284 -32.505 5 HB2 SER 369 HB2 SER 369 21.493 2.918 -32.475 6 HB3 SER 369 HB1 SER 369 21.714 2.866 -30.729 7 HG SER 369 HG SER 369 19.628 2.979 -30.486 8 H ALA 370 HN ALA 370 21.141 7.321 -31.429 9 HA ALA 370 HA ALA 370 20.435 7.497 -28.657 10 HB1 ALA 370 HB1 ALA 370 19.924 9.818 -29.111 11 HB2 ALA 370 HB2 ALA 370 19.870 9.514 -30.846 12 HB3 ALA 370 HB3 ALA 370 21.401 9.396 -29.976 13 H ASP 371 HN ASP 371 18.443 7.563 -27.688 14 HA ASP 371 HA ASP 371 16.013 7.638 -29.285 15 HB2 ASP 371 HB2 ASP 371 15.156 5.517 -28.441 16 HB3 ASP 371 HB1 ASP 371 16.656 5.247 -29.327 17 H ASP 372 HN ASP 372 14.077 7.351 -27.740 18 HA ASP 372 HA ASP 372 14.520 9.144 -25.469 19 HB2 ASP 372 HB2 ASP 372 12.638 9.488 -27.107 20 HB3 ASP 372 HB1 ASP 372 11.909 8.006 -26.487 21 H ASP 373 HN ASP 373 15.133 8.208 -23.627 22 HA ASP 373 HA ASP 373 14.293 5.493 -22.960 23 HB2 ASP 373 HB2 ASP 373 15.749 5.852 -20.957 24 HB3 ASP 373 HB1 ASP 373 16.591 6.061 -22.491 25 H ASN 374 HN ASN 374 12.875 8.434 -22.739 26 HA ASN 374 HA ASN 374 11.956 8.562 -20.067 27 HB2 ASN 374 HB2 ASN 374 11.814 10.449 -21.663 28 HB3 ASN 374 HB1 ASN 374 10.596 9.563 -22.579 29 HD21 ASN 374 HD21 ASN 374 8.832 11.013 -22.124 30 HD22 ASN 374 HD22 ASN 374 8.202 11.212 -20.560 31 H PHE 375 HN PHE 375 10.652 7.005 -22.971 32 HA PHE 375 HA PHE 375 8.196 6.167 -21.848 33 HB2 PHE 375 HB2 PHE 375 9.849 5.080 -24.133 34 HB3 PHE 375 HB1 PHE 375 8.255 4.453 -23.710 35 HD1 PHE 375 HD2 PHE 375 6.242 5.852 -23.941 36 HD2 PHE 375 HD1 PHE 375 10.118 7.288 -25.110 37 HE1 PHE 375 HE2 PHE 375 5.177 7.709 -25.194 38 HE2 PHE 375 HE1 PHE 375 9.053 9.144 -26.362 39 HZ PHE 375 HZ PHE 375 6.582 9.355 -26.404 40 H LEU 376 HN LEU 376 11.378 4.618 -22.038 41 HA LEU 376 HA LEU 376 10.459 2.218 -20.700 42 HB2 LEU 376 HB2 LEU 376 13.130 3.221 -21.674 43 HB3 LEU 376 HB1 LEU 376 13.024 1.791 -20.647 44 HG LEU 376 HG LEU 376 11.456 0.759 -22.257 45 HD11 LEU 376 HD11 LEU 376 11.384 1.945 -24.562 46 HD12 LEU 376 HD12 LEU 376 11.873 3.392 -23.679 47 HD13 LEU 376 HD13 LEU 376 10.357 2.585 -23.280 48 HD21 LEU 376 HD21 LEU 376 13.909 0.398 -22.463 49 HD22 LEU 376 HD22 LEU 376 14.002 1.775 -23.561 50 HD23 LEU 376 HD23 LEU 376 13.100 0.334 -24.029 51 H VAL 377 HN VAL 377 10.676 1.697 -18.590 52 HA VAL 377 HA VAL 377 10.729 2.145 -16.325 53 HB VAL 377 HB VAL 377 13.456 3.249 -17.025 54 HG11 VAL 377 HG11 VAL 377 12.885 3.592 -14.705 55 HG12 VAL 377 HG12 VAL 377 13.987 2.217 -14.778 56 HG13 VAL 377 HG13 VAL 377 12.257 1.949 -14.563 57 HG21 VAL 377 HG21 VAL 377 12.602 0.374 -16.557 58 HG22 VAL 377 HG22 VAL 377 14.249 0.932 -16.851 59 HG23 VAL 377 HG23 VAL 377 13.036 1.057 -18.124 60 HA PRO 378 HA PRO 378 9.627 6.635 -17.002 61 HB2 PRO 378 HB2 PRO 378 7.345 5.728 -15.294 62 HB3 PRO 378 HB1 PRO 378 7.320 6.695 -16.784 63 HG2 PRO 378 HG2 PRO 378 6.545 4.150 -16.794 64 HG3 PRO 378 HG1 PRO 378 7.464 4.832 -18.150 65 HD2 PRO 378 HD2 PRO 378 8.430 3.054 -15.928 66 HD3 PRO 378 HD1 PRO 378 8.858 3.029 -17.653 67 H ILE 379 HN ILE 379 9.980 8.295 -15.558 68 HA ILE 379 HA ILE 379 11.377 7.742 -13.158 69 HB ILE 379 HB ILE 379 10.065 10.339 -13.998 70 HG12 ILE 379 HG12 ILE 379 12.906 9.391 -14.479 71 HG13 ILE 379 HG11 ILE 379 11.633 9.299 -15.696 72 HG21 ILE 379 HG21 ILE 379 10.765 10.302 -11.648 73 HG22 ILE 379 HG22 ILE 379 11.863 11.319 -12.580 74 HG23 ILE 379 HG23 ILE 379 12.353 9.691 -12.112 75 HD11 ILE 379 HD11 ILE 379 13.097 11.367 -15.840 76 HD12 ILE 379 HD12 ILE 379 12.399 11.876 -14.302 77 HD13 ILE 379 HD13 ILE 379 11.367 11.687 -15.720 78 H ALA 380 HN ALA 380 8.059 8.816 -13.803 79 HA ALA 380 HA ALA 380 7.084 9.390 -11.331 80 HB1 ALA 380 HB1 ALA 380 5.831 7.960 -13.672 81 HB2 ALA 380 HB2 ALA 380 5.508 9.576 -13.049 82 HB3 ALA 380 HB3 ALA 380 4.919 8.164 -12.174 83 H VAL 381 HN VAL 381 8.337 6.346 -12.345 84 HA VAL 381 HA VAL 381 6.937 4.665 -10.541 85 HB VAL 381 HB VAL 381 9.606 4.379 -11.943 86 HG11 VAL 381 HG11 VAL 381 9.824 3.003 -10.017 87 HG12 VAL 381 HG12 VAL 381 9.280 1.911 -11.292 88 HG13 VAL 381 HG13 VAL 381 8.135 2.501 -10.087 89 HG21 VAL 381 HG21 VAL 381 6.817 3.272 -12.398 90 HG22 VAL 381 HG22 VAL 381 8.250 2.611 -13.183 91 HG23 VAL 381 HG23 VAL 381 7.768 4.277 -13.494 92 H GLY 382 HN GLY 382 10.013 6.414 -10.328 93 HA2 GLY 382 HA2 GLY 382 10.808 5.402 -7.821 94 HA3 GLY 382 HA1 GLY 382 11.360 6.913 -8.540 95 H ALA 383 HN ALA 383 8.841 8.194 -8.748 96 HA ALA 383 HA ALA 383 8.634 9.370 -6.190 97 HB1 ALA 383 HB1 ALA 383 6.659 9.421 -8.486 98 HB2 ALA 383 HB2 ALA 383 7.996 10.547 -8.252 99 HB3 ALA 383 HB3 ALA 383 6.657 10.519 -7.105 100 H ALA 384 HN ALA 384 6.702 6.905 -7.836 101 HA ALA 384 HA ALA 384 4.662 6.705 -5.882 102 HB1 ALA 384 HB1 ALA 384 4.221 4.483 -6.935 103 HB2 ALA 384 HB2 ALA 384 5.690 4.683 -7.890 104 HB3 ALA 384 HB3 ALA 384 4.338 5.793 -8.109 105 H LEU 385 HN LEU 385 7.797 5.134 -6.262 106 HA LEU 385 HA LEU 385 7.479 3.155 -4.291 107 HB2 LEU 385 HB2 LEU 385 9.390 3.629 -6.099 108 HB3 LEU 385 HB1 LEU 385 10.167 4.415 -4.726 109 HG LEU 385 HG LEU 385 9.157 1.560 -4.805 110 HD11 LEU 385 HD11 LEU 385 11.617 1.065 -4.514 111 HD12 LEU 385 HD12 LEU 385 11.929 2.767 -4.853 112 HD13 LEU 385 HD13 LEU 385 11.179 1.746 -6.081 113 HD21 LEU 385 HD21 LEU 385 10.543 1.543 -2.576 114 HD22 LEU 385 HD22 LEU 385 8.900 2.182 -2.564 115 HD23 LEU 385 HD23 LEU 385 10.271 3.289 -2.601 116 H ALA 386 HN ALA 386 8.758 6.466 -4.099 117 HA ALA 386 HA ALA 386 9.498 6.390 -1.377 118 HB1 ALA 386 HB1 ALA 386 8.562 8.793 -2.961 119 HB2 ALA 386 HB2 ALA 386 10.202 8.149 -3.005 120 HB3 ALA 386 HB3 ALA 386 9.555 8.812 -1.504 121 H GLY 387 HN GLY 387 6.465 7.152 -3.002 122 HA2 GLY 387 HA2 GLY 387 5.040 8.201 -0.821 123 HA3 GLY 387 HA1 GLY 387 4.321 7.408 -2.218 124 H VAL 388 HN VAL 388 5.412 4.847 -1.945 125 HA VAL 388 HA VAL 388 3.629 3.685 -0.075 126 HB VAL 388 HB VAL 388 6.024 2.475 -1.479 127 HG11 VAL 388 HG11 VAL 388 4.692 0.341 -1.045 128 HG12 VAL 388 HG12 VAL 388 3.728 1.284 0.093 129 HG13 VAL 388 HG13 VAL 388 5.456 1.065 0.370 130 HG21 VAL 388 HG21 VAL 388 4.432 1.727 -3.129 131 HG22 VAL 388 HG22 VAL 388 4.170 3.457 -2.908 132 HG23 VAL 388 HG23 VAL 388 3.074 2.297 -2.157 133 H LEU 389 HN LEU 389 7.117 4.263 -0.015 134 HA LEU 389 HA LEU 389 7.671 2.955 2.403 135 HB2 LEU 389 HB2 LEU 389 9.398 3.668 0.818 136 HB3 LEU 389 HB1 LEU 389 9.058 5.357 1.192 137 HG LEU 389 HG LEU 389 9.575 3.672 3.595 138 HD11 LEU 389 HD11 LEU 389 11.687 4.081 1.477 139 HD12 LEU 389 HD12 LEU 389 11.210 2.580 2.269 140 HD13 LEU 389 HD13 LEU 389 12.091 3.812 3.173 141 HD21 LEU 389 HD21 LEU 389 10.734 5.621 4.346 142 HD22 LEU 389 HD22 LEU 389 9.356 6.232 3.428 143 HD23 LEU 389 HD23 LEU 389 10.963 6.213 2.700 144 H ILE 390 HN ILE 390 6.518 6.222 1.732 145 HA ILE 390 HA ILE 390 6.852 7.247 4.339 146 HB ILE 390 HB ILE 390 4.963 8.007 2.103 147 HG12 ILE 390 HG12 ILE 390 7.591 8.266 1.998 148 HG13 ILE 390 HG11 ILE 390 6.564 9.606 1.495 149 HG21 ILE 390 HG21 ILE 390 5.398 9.217 4.836 150 HG22 ILE 390 HG22 ILE 390 3.872 8.857 4.028 151 HG23 ILE 390 HG23 ILE 390 4.864 10.210 3.481 152 HD11 ILE 390 HD11 ILE 390 7.490 9.413 4.359 153 HD12 ILE 390 HD12 ILE 390 6.970 10.833 3.455 154 HD13 ILE 390 HD13 ILE 390 8.543 10.109 3.125 155 H LEU 391 HN LEU 391 4.181 5.584 2.750 156 HA LEU 391 HA LEU 391 2.282 5.863 4.791 157 HB2 LEU 391 HB2 LEU 391 2.705 3.873 2.585 158 HB3 LEU 391 HB1 LEU 391 1.408 3.628 3.755 159 HG LEU 391 HG LEU 391 1.674 6.335 2.450 160 HD11 LEU 391 HD11 LEU 391 1.748 4.961 0.504 161 HD12 LEU 391 HD12 LEU 391 0.061 5.447 0.675 162 HD13 LEU 391 HD13 LEU 391 0.568 3.830 1.166 163 HD21 LEU 391 HD21 LEU 391 -0.682 4.635 3.340 164 HD22 LEU 391 HD22 LEU 391 -0.785 6.290 2.736 165 HD23 LEU 391 HD23 LEU 391 0.030 5.957 4.265 166 H VAL 392 HN VAL 392 4.830 3.485 4.279 167 HA VAL 392 HA VAL 392 4.088 1.689 6.324 168 HB VAL 392 HB VAL 392 6.824 2.303 5.181 169 HG11 VAL 392 HG11 VAL 392 7.197 1.189 7.249 170 HG12 VAL 392 HG12 VAL 392 7.240 -0.092 6.038 171 HG13 VAL 392 HG13 VAL 392 5.798 0.138 7.027 172 HG21 VAL 392 HG21 VAL 392 6.413 0.485 3.689 173 HG22 VAL 392 HG22 VAL 392 4.945 1.461 3.646 174 HG23 VAL 392 HG23 VAL 392 4.988 -0.029 4.590 175 H LEU 393 HN LEU 393 6.149 4.554 6.315 176 HA LEU 393 HA LEU 393 7.135 4.305 8.946 177 HB2 LEU 393 HB2 LEU 393 6.860 6.532 6.976 178 HB3 LEU 393 HB1 LEU 393 7.223 6.965 8.645 179 HG LEU 393 HG LEU 393 8.836 4.782 7.318 180 HD11 LEU 393 HD11 LEU 393 9.322 7.758 7.002 181 HD12 LEU 393 HD12 LEU 393 8.861 6.647 5.712 182 HD13 LEU 393 HD13 LEU 393 10.428 6.479 6.503 183 HD21 LEU 393 HD21 LEU 393 8.934 5.490 9.802 184 HD22 LEU 393 HD22 LEU 393 9.719 6.960 9.223 185 HD23 LEU 393 HD23 LEU 393 10.467 5.388 8.937 186 H LEU 394 HN LEU 394 4.229 5.878 7.690 187 HA LEU 394 HA LEU 394 3.446 7.078 10.110 188 HB2 LEU 394 HB2 LEU 394 2.439 7.653 7.961 189 HB3 LEU 394 HB1 LEU 394 1.748 6.035 7.845 190 HG LEU 394 HG LEU 394 1.092 7.417 10.381 191 HD11 LEU 394 HD11 LEU 394 0.945 9.398 9.070 192 HD12 LEU 394 HD12 LEU 394 -0.707 8.800 9.234 193 HD13 LEU 394 HD13 LEU 394 0.182 8.542 7.731 194 HD21 LEU 394 HD21 LEU 394 0.123 5.229 9.407 195 HD22 LEU 394 HD22 LEU 394 -0.796 6.266 8.315 196 HD23 LEU 394 HD23 LEU 394 -1.034 6.392 10.058 197 H ALA 395 HN ALA 395 2.798 3.860 8.744 198 HA ALA 395 HA ALA 395 0.991 2.964 10.710 199 HB1 ALA 395 HB1 ALA 395 1.753 0.677 10.036 200 HB2 ALA 395 HB2 ALA 395 3.023 1.428 9.070 201 HB3 ALA 395 HB3 ALA 395 1.328 1.698 8.662 202 H TYR 396 HN TYR 396 4.511 2.943 10.529 203 HA TYR 396 HA TYR 396 5.003 1.517 12.932 204 HB2 TYR 396 HB2 TYR 396 6.737 1.814 11.226 205 HB3 TYR 396 HB1 TYR 396 6.711 3.559 11.484 206 HD1 TYR 396 HD1 TYR 396 7.448 0.294 13.105 207 HD2 TYR 396 HD2 TYR 396 7.873 4.564 13.313 208 HE1 TYR 396 HE1 TYR 396 9.059 0.043 14.974 209 HE2 TYR 396 HE2 TYR 396 9.484 4.312 15.181 210 HH TYR 396 HH TYR 396 9.772 1.833 17.036 211 H PHE 397 HN PHE 397 4.481 4.908 12.162 212 HA PHE 397 HA PHE 397 5.282 6.083 14.568 213 HB2 PHE 397 HB2 PHE 397 4.612 7.259 12.417 214 HB3 PHE 397 HB1 PHE 397 2.936 7.005 12.902 215 HD1 PHE 397 HD2 PHE 397 2.168 7.895 15.168 216 HD2 PHE 397 HD1 PHE 397 5.886 9.020 13.341 217 HE1 PHE 397 HE2 PHE 397 2.299 9.873 16.659 218 HE2 PHE 397 HE1 PHE 397 6.023 10.997 14.834 219 HZ PHE 397 HZ PHE 397 4.228 11.425 16.492 220 H ILE 398 HN ILE 398 2.149 4.722 13.612 221 HA ILE 398 HA ILE 398 0.787 5.380 16.015 222 HB ILE 398 HB ILE 398 0.159 3.116 14.099 223 HG12 ILE 398 HG12 ILE 398 0.369 5.233 12.897 224 HG13 ILE 398 HG11 ILE 398 -1.328 4.774 13.013 225 HG21 ILE 398 HG21 ILE 398 -2.181 3.624 14.925 226 HG22 ILE 398 HG22 ILE 398 -1.438 4.621 16.175 227 HG23 ILE 398 HG23 ILE 398 -1.110 2.889 16.119 228 HD11 ILE 398 HD11 ILE 398 0.142 6.984 14.426 229 HD12 ILE 398 HD12 ILE 398 -1.278 6.279 15.197 230 HD13 ILE 398 HD13 ILE 398 -1.418 7.032 13.607 231 H GLY 399 HN GLY 399 2.579 2.505 14.965 232 HA2 GLY 399 HA2 GLY 399 1.935 0.852 17.145 233 HA3 GLY 399 HA1 GLY 399 3.371 0.701 16.134 234 H LEU 400 HN LEU 400 4.454 3.278 16.674 235 HA LEU 400 HA LEU 400 5.949 2.709 18.989 236 HB2 LEU 400 HB2 LEU 400 6.877 4.122 17.255 237 HB3 LEU 400 HB1 LEU 400 5.590 5.306 17.470 238 HG LEU 400 HG LEU 400 6.374 5.797 19.744 239 HD11 LEU 400 HD11 LEU 400 8.696 4.723 20.327 240 HD12 LEU 400 HD12 LEU 400 8.215 3.477 19.174 241 HD13 LEU 400 HD13 LEU 400 7.227 3.786 20.601 242 HD21 LEU 400 HD21 LEU 400 8.732 6.595 19.125 243 HD22 LEU 400 HD22 LEU 400 7.413 7.160 18.100 244 HD23 LEU 400 HD23 LEU 400 8.455 5.847 17.552 245 H LYS 401 HN LYS 401 3.202 4.872 18.424 246 HA LYS 401 HA LYS 401 1.766 5.931 19.860 247 HB2 LYS 401 HB2 LYS 401 1.458 3.592 20.666 248 HB3 LYS 401 HB1 LYS 401 2.720 3.877 21.864 249 HG2 LYS 401 HG2 LYS 401 1.420 5.703 22.845 250 HG3 LYS 401 HG1 LYS 401 0.170 5.495 21.617 251 HD2 LYS 401 HD2 LYS 401 -0.228 3.190 22.416 252 HD3 LYS 401 HD1 LYS 401 1.007 3.412 23.657 253 HE2 LYS 401 HE2 LYS 401 -0.289 5.261 24.634 254 HE3 LYS 401 HE1 LYS 401 -1.520 5.067 23.385 255 HZ1 LYS 401 HZ1 LYS 401 -1.005 2.578 24.595 256 HZ2 LYS 401 HZ2 LYS 401 -2.454 3.463 24.562 257 HZ3 LYS 401 HZ3 LYS 401 -1.327 3.719 25.808 258 H HIS 402 HN HIS 402 1.803 7.682 21.210 259 HA HIS 402 HA HIS 402 4.352 8.767 21.909 260 HB2 HIS 402 HB2 HIS 402 2.334 10.120 21.263 261 HB3 HIS 402 HB1 HIS 402 1.634 9.719 22.832 262 HD1 HIS 402 HD1 HIS 402 3.031 10.536 24.974 263 HD2 HIS 402 HD2 HIS 402 4.215 12.184 21.332 264 HE1 HIS 402 HE1 HIS 402 4.466 12.548 25.531 265 HE2 HIS 402 HE2 HIS 402 5.196 13.563 23.321 266 H HIS 403 HN HIS 403 5.387 8.862 23.831 267 HA HIS 403 HA HIS 403 4.644 6.983 25.874 268 HB2 HIS 403 HB2 HIS 403 6.992 7.331 25.386 269 HB3 HIS 403 HB1 HIS 403 6.847 9.055 25.724 270 HD1 HIS 403 HD1 HIS 403 6.551 5.704 27.491 271 HD2 HIS 403 HD2 HIS 403 7.132 9.727 28.415 272 HE1 HIS 403 HE1 HIS 403 7.057 5.803 29.971 273 HE2 HIS 403 HE2 HIS 403 7.414 8.250 30.550 274 H HIS 404 HN HIS 404 3.636 7.343 27.776 275 HA HIS 404 HA HIS 404 2.199 9.769 28.187 276 HB2 HIS 404 HB2 HIS 404 2.713 7.429 30.039 277 HB3 HIS 404 HB1 HIS 404 1.572 8.734 30.363 278 HD1 HIS 404 HD1 HIS 404 2.064 5.683 28.264 279 HD2 HIS 404 HD2 HIS 404 -0.753 8.728 28.676 280 HE1 HIS 404 HE1 HIS 404 0.014 4.941 26.977 281 HE2 HIS 404 HE2 HIS 404 -1.714 6.786 27.218 282 H ALA 405 HN ALA 405 2.580 11.468 29.541 283 HA ALA 405 HA ALA 405 5.308 11.904 30.378 284 HB1 ALA 405 HB1 ALA 405 2.886 13.632 30.922 285 HB2 ALA 405 HB2 ALA 405 3.821 13.695 29.428 286 HB3 ALA 405 HB3 ALA 405 4.580 14.123 30.961 287 H GLY 406 HN GLY 406 2.599 10.457 31.773 288 HA2 GLY 406 HA2 GLY 406 2.812 11.252 34.473 289 HA3 GLY 406 HA1 GLY 406 2.105 9.743 33.904 290 H TYR 407 HN TYR 407 4.492 8.804 32.575 291 HA TYR 407 HA TYR 407 5.852 7.688 34.885 292 HB2 TYR 407 HB2 TYR 407 5.277 6.248 32.985 293 HB3 TYR 407 HB1 TYR 407 6.277 7.238 31.921 294 HD1 TYR 407 HD1 TYR 407 6.403 5.147 35.016 295 HD2 TYR 407 HD2 TYR 407 8.602 6.839 31.736 296 HE1 TYR 407 HE1 TYR 407 8.401 3.835 35.678 297 HE2 TYR 407 HE2 TYR 407 10.599 5.527 32.399 298 HH TYR 407 HH TYR 407 10.495 3.305 35.188 299 H GLU 408 HN GLU 408 7.761 8.322 35.679 300 HA GLU 408 HA GLU 408 9.102 10.611 34.480 301 HB2 GLU 408 HB2 GLU 408 8.731 10.445 36.938 302 HB3 GLU 408 HB1 GLU 408 9.812 9.051 36.974 303 HG2 GLU 408 HG2 GLU 408 11.651 10.410 36.111 304 HG3 GLU 408 HG1 GLU 408 10.582 11.804 35.964 305 H GLN 409 HN GLN 409 10.577 10.334 32.949 306 HA GLN 409 HA GLN 409 11.811 7.800 32.466 307 HB2 GLN 409 HB2 GLN 409 11.377 9.267 30.583 308 HB3 GLN 409 HB1 GLN 409 12.324 10.560 31.312 309 HG2 GLN 409 HG2 GLN 409 13.554 9.324 29.503 310 HG3 GLN 409 HG1 GLN 409 14.386 9.259 31.061 311 HE21 GLN 409 HE21 GLN 409 15.380 7.185 30.836 312 HE22 GLN 409 HE22 GLN 409 14.495 5.748 30.649 313 H PHE 410 HN PHE 410 13.740 7.047 33.141 314 HA PHE 410 HA PHE 410 15.089 8.003 35.341 315 HB2 PHE 410 HB2 PHE 410 16.177 6.406 33.012 316 HB3 PHE 410 HB1 PHE 410 17.032 6.645 34.536 317 HD1 PHE 410 HD2 PHE 410 15.973 5.849 36.690 318 HD2 PHE 410 HD1 PHE 410 14.419 4.807 32.823 319 HE1 PHE 410 HE2 PHE 410 14.692 3.985 37.707 320 HE2 PHE 410 HE1 PHE 410 13.138 2.943 33.841 321 HZ PHE 410 HZ PHE 410 13.274 2.532 36.282 Start of MODEL 2 1 H1 SER 369 HT1 SER 369 -8.891 4.398 -23.097 2 H2 SER 369 HT2 SER 369 -7.853 3.078 -23.352 3 H3 SER 369 HT3 SER 369 -9.060 3.445 -24.488 4 HA SER 369 HA SER 369 -7.106 4.249 -25.448 5 HB2 SER 369 HB2 SER 369 -9.119 5.854 -25.240 6 HB3 SER 369 HB1 SER 369 -8.179 6.673 -23.995 7 HG SER 369 HG SER 369 -6.616 7.125 -25.489 8 H ALA 370 HN ALA 370 -4.975 4.438 -25.119 9 HA ALA 370 HA ALA 370 -3.933 5.804 -22.760 10 HB1 ALA 370 HB1 ALA 370 -3.435 2.871 -23.306 11 HB2 ALA 370 HB2 ALA 370 -4.171 3.579 -21.868 12 HB3 ALA 370 HB3 ALA 370 -2.460 3.845 -22.206 13 H ASP 371 HN ASP 371 -1.845 6.512 -23.007 14 HA ASP 371 HA ASP 371 -0.952 7.034 -25.633 15 HB2 ASP 371 HB2 ASP 371 0.517 7.208 -22.983 16 HB3 ASP 371 HB1 ASP 371 1.181 7.769 -24.517 17 H ASP 372 HN ASP 372 0.084 4.634 -23.235 18 HA ASP 372 HA ASP 372 1.377 2.744 -23.425 19 HB2 ASP 372 HB2 ASP 372 -0.460 2.262 -25.102 20 HB3 ASP 372 HB1 ASP 372 0.644 2.829 -26.355 21 H ASP 373 HN ASP 373 2.741 5.199 -23.585 22 HA ASP 373 HA ASP 373 4.565 5.296 -25.768 23 HB2 ASP 373 HB2 ASP 373 4.636 6.483 -22.992 24 HB3 ASP 373 HB1 ASP 373 5.893 6.773 -24.194 25 H ASN 374 HN ASN 374 6.665 4.562 -25.942 26 HA ASN 374 HA ASN 374 7.318 2.232 -24.316 27 HB2 ASN 374 HB2 ASN 374 7.585 2.227 -26.797 28 HB3 ASN 374 HB1 ASN 374 8.843 3.450 -26.628 29 HD21 ASN 374 HD21 ASN 374 10.442 1.889 -27.496 30 HD22 ASN 374 HD22 ASN 374 11.026 0.633 -26.514 31 H PHE 375 HN PHE 375 8.269 2.617 -22.395 32 HA PHE 375 HA PHE 375 10.721 4.200 -22.341 33 HB2 PHE 375 HB2 PHE 375 8.769 5.732 -21.787 34 HB3 PHE 375 HB1 PHE 375 8.532 4.754 -20.337 35 HD1 PHE 375 HD2 PHE 375 10.471 4.472 -18.726 36 HD2 PHE 375 HD1 PHE 375 10.467 7.388 -21.872 37 HE1 PHE 375 HE2 PHE 375 12.290 5.716 -17.574 38 HE2 PHE 375 HE1 PHE 375 12.280 8.633 -20.727 39 HZ PHE 375 HZ PHE 375 13.191 7.798 -18.577 40 H LEU 376 HN LEU 376 12.176 2.963 -21.349 41 HA LEU 376 HA LEU 376 11.394 0.695 -19.748 42 HB2 LEU 376 HB2 LEU 376 14.054 1.868 -20.573 43 HB3 LEU 376 HB1 LEU 376 13.942 0.512 -19.449 44 HG LEU 376 HG LEU 376 12.687 -0.786 -21.103 45 HD11 LEU 376 HD11 LEU 376 11.464 0.784 -22.362 46 HD12 LEU 376 HD12 LEU 376 12.699 0.249 -23.502 47 HD13 LEU 376 HD13 LEU 376 12.880 1.792 -22.663 48 HD21 LEU 376 HD21 LEU 376 15.294 0.446 -22.019 49 HD22 LEU 376 HD22 LEU 376 14.529 -0.893 -22.877 50 HD23 LEU 376 HD23 LEU 376 15.054 -1.102 -21.206 51 H VAL 377 HN VAL 377 11.825 0.367 -17.557 52 HA VAL 377 HA VAL 377 11.475 1.145 -15.374 53 HB VAL 377 HB VAL 377 13.686 2.199 -14.575 54 HG11 VAL 377 HG11 VAL 377 13.607 -0.457 -16.036 55 HG12 VAL 377 HG12 VAL 377 13.232 -0.173 -14.336 56 HG13 VAL 377 HG13 VAL 377 14.885 0.023 -14.919 57 HG21 VAL 377 HG21 VAL 377 15.540 2.104 -16.143 58 HG22 VAL 377 HG22 VAL 377 14.271 3.110 -16.847 59 HG23 VAL 377 HG23 VAL 377 14.492 1.449 -17.403 60 HA PRO 378 HA PRO 378 10.164 5.434 -16.630 61 HB2 PRO 378 HB2 PRO 378 7.808 4.558 -15.012 62 HB3 PRO 378 HB1 PRO 378 7.849 5.346 -16.607 63 HG2 PRO 378 HG2 PRO 378 7.242 2.778 -16.405 64 HG3 PRO 378 HG1 PRO 378 8.275 3.357 -17.721 65 HD2 PRO 378 HD2 PRO 378 9.083 1.965 -15.175 66 HD3 PRO 378 HD1 PRO 378 9.667 1.697 -16.834 67 H ILE 379 HN ILE 379 10.245 7.273 -15.370 68 HA ILE 379 HA ILE 379 11.503 7.115 -12.840 69 HB ILE 379 HB ILE 379 10.093 9.401 -14.230 70 HG12 ILE 379 HG12 ILE 379 13.046 8.873 -13.808 71 HG13 ILE 379 HG11 ILE 379 12.178 8.357 -15.254 72 HG21 ILE 379 HG21 ILE 379 11.708 9.282 -11.672 73 HG22 ILE 379 HG22 ILE 379 10.096 9.957 -11.902 74 HG23 ILE 379 HG23 ILE 379 11.500 10.775 -12.586 75 HD11 ILE 379 HD11 ILE 379 12.215 11.220 -14.266 76 HD12 ILE 379 HD12 ILE 379 11.606 10.630 -15.813 77 HD13 ILE 379 HD13 ILE 379 13.336 10.593 -15.475 78 H ALA 380 HN ALA 380 8.148 7.756 -13.803 79 HA ALA 380 HA ALA 380 6.951 8.485 -11.472 80 HB1 ALA 380 HB1 ALA 380 4.980 6.971 -12.262 81 HB2 ALA 380 HB2 ALA 380 5.998 6.642 -13.666 82 HB3 ALA 380 HB3 ALA 380 5.498 8.294 -13.305 83 H VAL 381 HN VAL 381 8.586 5.527 -12.074 84 HA VAL 381 HA VAL 381 7.284 3.875 -10.181 85 HB VAL 381 HB VAL 381 10.072 3.814 -11.364 86 HG11 VAL 381 HG11 VAL 381 10.310 2.701 -9.283 87 HG12 VAL 381 HG12 VAL 381 10.023 1.414 -10.457 88 HG13 VAL 381 HG13 VAL 381 8.715 1.960 -9.406 89 HG21 VAL 381 HG21 VAL 381 8.323 3.315 -12.981 90 HG22 VAL 381 HG22 VAL 381 7.522 2.235 -11.841 91 HG23 VAL 381 HG23 VAL 381 9.087 1.795 -12.520 92 H GLY 382 HN GLY 382 10.079 6.048 -9.988 93 HA2 GLY 382 HA2 GLY 382 10.800 5.449 -7.327 94 HA3 GLY 382 HA1 GLY 382 11.213 6.923 -8.198 95 H ALA 383 HN ALA 383 8.499 7.739 -8.723 96 HA ALA 383 HA ALA 383 7.984 9.242 -6.391 97 HB1 ALA 383 HB1 ALA 383 5.931 8.636 -8.517 98 HB2 ALA 383 HB2 ALA 383 7.266 9.753 -8.797 99 HB3 ALA 383 HB3 ALA 383 6.086 10.090 -7.530 100 H ALA 384 HN ALA 384 6.539 6.273 -7.664 101 HA ALA 384 HA ALA 384 4.477 6.045 -5.737 102 HB1 ALA 384 HB1 ALA 384 5.859 3.768 -7.172 103 HB2 ALA 384 HB2 ALA 384 4.628 4.786 -7.921 104 HB3 ALA 384 HB3 ALA 384 4.218 3.791 -6.523 105 H LEU 385 HN LEU 385 7.839 4.969 -5.802 106 HA LEU 385 HA LEU 385 7.742 3.285 -3.550 107 HB2 LEU 385 HB2 LEU 385 9.651 3.770 -5.345 108 HB3 LEU 385 HB1 LEU 385 10.205 4.909 -4.119 109 HG LEU 385 HG LEU 385 9.679 1.959 -3.672 110 HD11 LEU 385 HD11 LEU 385 12.100 1.766 -3.458 111 HD12 LEU 385 HD12 LEU 385 12.287 3.495 -3.751 112 HD13 LEU 385 HD13 LEU 385 11.692 2.441 -5.034 113 HD21 LEU 385 HD21 LEU 385 11.023 2.611 -1.492 114 HD22 LEU 385 HD22 LEU 385 9.289 2.909 -1.578 115 HD23 LEU 385 HD23 LEU 385 10.417 4.236 -1.844 116 H ALA 386 HN ALA 386 8.454 6.753 -3.855 117 HA ALA 386 HA ALA 386 9.063 7.232 -1.149 118 HB1 ALA 386 HB1 ALA 386 8.391 9.613 -1.709 119 HB2 ALA 386 HB2 ALA 386 7.964 9.025 -3.316 120 HB3 ALA 386 HB3 ALA 386 9.631 8.910 -2.748 121 H GLY 387 HN GLY 387 6.008 7.196 -2.912 122 HA2 GLY 387 HA2 GLY 387 4.354 8.259 -0.892 123 HA3 GLY 387 HA1 GLY 387 3.822 7.209 -2.200 124 H VAL 388 HN VAL 388 5.252 4.913 -1.665 125 HA VAL 388 HA VAL 388 3.669 3.727 0.378 126 HB VAL 388 HB VAL 388 6.116 2.662 -1.052 127 HG11 VAL 388 HG11 VAL 388 5.002 0.445 -0.380 128 HG12 VAL 388 HG12 VAL 388 4.053 1.397 0.765 129 HG13 VAL 388 HG13 VAL 388 5.810 1.341 0.907 130 HG21 VAL 388 HG21 VAL 388 3.160 2.184 -1.552 131 HG22 VAL 388 HG22 VAL 388 4.506 1.567 -2.512 132 HG23 VAL 388 HG23 VAL 388 4.156 3.295 -2.492 133 H LEU 389 HN LEU 389 7.066 4.732 0.212 134 HA LEU 389 HA LEU 389 7.900 3.658 2.656 135 HB2 LEU 389 HB2 LEU 389 9.199 4.936 0.678 136 HB3 LEU 389 HB1 LEU 389 9.035 6.298 1.783 137 HG LEU 389 HG LEU 389 10.287 3.615 2.412 138 HD11 LEU 389 HD11 LEU 389 11.812 4.903 1.122 139 HD12 LEU 389 HD12 LEU 389 12.295 5.158 2.797 140 HD13 LEU 389 HD13 LEU 389 11.373 6.398 1.949 141 HD21 LEU 389 HD21 LEU 389 9.317 4.278 4.450 142 HD22 LEU 389 HD22 LEU 389 9.555 5.992 4.123 143 HD23 LEU 389 HD23 LEU 389 10.932 4.977 4.556 144 H ILE 390 HN ILE 390 6.410 6.796 1.905 145 HA ILE 390 HA ILE 390 6.608 7.845 4.533 146 HB ILE 390 HB ILE 390 4.759 8.490 2.230 147 HG12 ILE 390 HG12 ILE 390 7.131 10.024 3.370 148 HG13 ILE 390 HG11 ILE 390 7.249 8.939 1.986 149 HG21 ILE 390 HG21 ILE 390 3.598 9.228 4.176 150 HG22 ILE 390 HG22 ILE 390 4.441 10.661 3.581 151 HG23 ILE 390 HG23 ILE 390 5.086 9.763 4.956 152 HD11 ILE 390 HD11 ILE 390 5.899 10.335 0.632 153 HD12 ILE 390 HD12 ILE 390 6.921 11.462 1.516 154 HD13 ILE 390 HD13 ILE 390 5.251 11.205 2.024 155 H LEU 391 HN LEU 391 4.091 6.031 2.834 156 HA LEU 391 HA LEU 391 2.111 6.219 4.801 157 HB2 LEU 391 HB2 LEU 391 2.705 4.242 2.626 158 HB3 LEU 391 HB1 LEU 391 1.383 3.935 3.753 159 HG LEU 391 HG LEU 391 1.564 6.639 2.425 160 HD11 LEU 391 HD11 LEU 391 0.011 5.634 0.637 161 HD12 LEU 391 HD12 LEU 391 0.619 4.062 1.156 162 HD13 LEU 391 HD13 LEU 391 1.729 5.259 0.493 163 HD21 LEU 391 HD21 LEU 391 -0.105 6.228 4.207 164 HD22 LEU 391 HD22 LEU 391 -0.733 4.852 3.299 165 HD23 LEU 391 HD23 LEU 391 -0.901 6.483 2.652 166 H VAL 392 HN VAL 392 4.761 3.939 4.387 167 HA VAL 392 HA VAL 392 4.032 2.159 6.458 168 HB VAL 392 HB VAL 392 6.738 2.811 5.267 169 HG11 VAL 392 HG11 VAL 392 7.290 0.505 6.254 170 HG12 VAL 392 HG12 VAL 392 5.848 0.705 7.247 171 HG13 VAL 392 HG13 VAL 392 7.187 1.842 7.399 172 HG21 VAL 392 HG21 VAL 392 6.373 0.916 3.877 173 HG22 VAL 392 HG22 VAL 392 4.839 1.785 3.847 174 HG23 VAL 392 HG23 VAL 392 5.022 0.353 4.860 175 H LEU 393 HN LEU 393 6.008 5.081 6.406 176 HA LEU 393 HA LEU 393 7.001 4.912 9.039 177 HB2 LEU 393 HB2 LEU 393 6.626 7.104 7.040 178 HB3 LEU 393 HB1 LEU 393 6.982 7.568 8.704 179 HG LEU 393 HG LEU 393 8.675 5.442 7.379 180 HD11 LEU 393 HD11 LEU 393 10.180 7.173 6.514 181 HD12 LEU 393 HD12 LEU 393 9.073 8.432 7.063 182 HD13 LEU 393 HD13 LEU 393 8.584 7.330 5.777 183 HD21 LEU 393 HD21 LEU 393 8.757 6.175 9.861 184 HD22 LEU 393 HD22 LEU 393 9.488 7.665 9.262 185 HD23 LEU 393 HD23 LEU 393 10.287 6.118 8.985 186 H LEU 394 HN LEU 394 4.039 6.332 7.746 187 HA LEU 394 HA LEU 394 3.175 7.560 10.120 188 HB2 LEU 394 HB2 LEU 394 2.187 8.020 7.937 189 HB3 LEU 394 HB1 LEU 394 1.560 6.373 7.870 190 HG LEU 394 HG LEU 394 0.812 7.810 10.347 191 HD11 LEU 394 HD11 LEU 394 0.705 9.710 8.821 192 HD12 LEU 394 HD12 LEU 394 -0.924 9.192 9.256 193 HD13 LEU 394 HD13 LEU 394 -0.253 8.766 7.681 194 HD21 LEU 394 HD21 LEU 394 -1.271 6.703 10.015 195 HD22 LEU 394 HD22 LEU 394 -0.062 5.563 9.420 196 HD23 LEU 394 HD23 LEU 394 -0.994 6.535 8.281 197 H ALA 395 HN ALA 395 2.573 4.313 8.807 198 HA ALA 395 HA ALA 395 0.865 3.449 10.905 199 HB1 ALA 395 HB1 ALA 395 0.887 2.281 8.780 200 HB2 ALA 395 HB2 ALA 395 1.385 1.166 10.051 201 HB3 ALA 395 HB3 ALA 395 2.593 1.877 8.980 202 H TYR 396 HN TYR 396 4.355 3.385 10.431 203 HA TYR 396 HA TYR 396 5.044 1.647 12.532 204 HB2 TYR 396 HB2 TYR 396 6.675 2.310 10.854 205 HB3 TYR 396 HB1 TYR 396 6.573 3.992 11.375 206 HD1 TYR 396 HD1 TYR 396 7.585 0.574 12.426 207 HD2 TYR 396 HD2 TYR 396 7.756 4.776 13.301 208 HE1 TYR 396 HE1 TYR 396 9.308 0.144 14.157 209 HE2 TYR 396 HE2 TYR 396 9.480 4.346 15.031 210 HH TYR 396 HH TYR 396 11.142 1.418 15.280 211 H PHE 397 HN PHE 397 4.624 5.159 12.474 212 HA PHE 397 HA PHE 397 5.354 5.649 15.152 213 HB2 PHE 397 HB2 PHE 397 3.635 7.157 13.183 214 HB3 PHE 397 HB1 PHE 397 3.852 7.735 14.834 215 HD1 PHE 397 HD2 PHE 397 6.459 7.580 15.639 216 HD2 PHE 397 HD1 PHE 397 5.095 8.067 11.583 217 HE1 PHE 397 HE2 PHE 397 8.648 8.539 15.010 218 HE2 PHE 397 HE1 PHE 397 7.289 9.019 10.967 219 HZ PHE 397 HZ PHE 397 9.064 9.258 12.677 220 H ILE 398 HN ILE 398 2.215 4.969 13.665 221 HA ILE 398 HA ILE 398 0.680 5.276 16.013 222 HB ILE 398 HB ILE 398 0.179 3.659 13.497 223 HG12 ILE 398 HG12 ILE 398 -1.064 6.247 14.462 224 HG13 ILE 398 HG11 ILE 398 0.341 6.191 13.395 225 HG21 ILE 398 HG21 ILE 398 -2.231 3.762 14.343 226 HG22 ILE 398 HG22 ILE 398 -1.560 4.199 15.914 227 HG23 ILE 398 HG23 ILE 398 -1.166 2.640 15.189 228 HD11 ILE 398 HD11 ILE 398 -0.882 5.092 11.671 229 HD12 ILE 398 HD12 ILE 398 -1.935 6.386 12.241 230 HD13 ILE 398 HD13 ILE 398 -2.223 4.725 12.755 231 H GLY 399 HN GLY 399 2.282 2.441 14.575 232 HA2 GLY 399 HA2 GLY 399 1.279 0.533 16.398 233 HA3 GLY 399 HA1 GLY 399 2.733 0.355 15.419 234 H LEU 400 HN LEU 400 4.172 2.565 16.405 235 HA LEU 400 HA LEU 400 5.401 1.415 18.659 236 HB2 LEU 400 HB2 LEU 400 6.646 2.880 17.176 237 HB3 LEU 400 HB1 LEU 400 5.582 4.232 17.555 238 HG LEU 400 HG LEU 400 6.328 4.206 19.893 239 HD11 LEU 400 HD11 LEU 400 6.780 1.972 20.435 240 HD12 LEU 400 HD12 LEU 400 8.406 2.648 20.322 241 HD13 LEU 400 HD13 LEU 400 7.744 1.704 18.986 242 HD21 LEU 400 HD21 LEU 400 8.770 4.036 18.115 243 HD22 LEU 400 HD22 LEU 400 8.546 5.030 19.554 244 HD23 LEU 400 HD23 LEU 400 7.652 5.402 18.079 245 H LYS 401 HN LYS 401 3.087 4.075 18.330 246 HA LYS 401 HA LYS 401 3.089 4.721 21.123 247 HB2 LYS 401 HB2 LYS 401 1.198 5.428 18.872 248 HB3 LYS 401 HB1 LYS 401 1.049 6.057 20.513 249 HG2 LYS 401 HG2 LYS 401 3.313 7.016 20.360 250 HG3 LYS 401 HG1 LYS 401 3.477 6.378 18.723 251 HD2 LYS 401 HD2 LYS 401 1.552 7.735 17.994 252 HD3 LYS 401 HD1 LYS 401 1.377 8.371 19.630 253 HE2 LYS 401 HE2 LYS 401 3.655 9.326 19.497 254 HE3 LYS 401 HE1 LYS 401 3.811 8.707 17.852 255 HZ1 LYS 401 HZ1 LYS 401 3.107 11.078 18.023 256 HZ2 LYS 401 HZ2 LYS 401 1.645 10.544 18.705 257 HZ3 LYS 401 HZ3 LYS 401 2.060 10.098 17.119 258 H HIS 402 HN HIS 402 1.729 4.048 22.716 259 HA HIS 402 HA HIS 402 -0.573 2.361 22.076 260 HB2 HIS 402 HB2 HIS 402 1.294 0.763 22.195 261 HB3 HIS 402 HB1 HIS 402 1.715 1.372 23.796 262 HD1 HIS 402 HD1 HIS 402 -1.183 -0.309 21.991 263 HD2 HIS 402 HD2 HIS 402 0.251 0.231 25.868 264 HE1 HIS 402 HE1 HIS 402 -2.639 -1.731 23.498 265 HE2 HIS 402 HE2 HIS 402 -1.778 -1.412 25.865 266 H HIS 403 HN HIS 403 -2.125 2.352 23.662 267 HA HIS 403 HA HIS 403 -1.915 4.446 25.653 268 HB2 HIS 403 HB2 HIS 403 -4.018 4.186 24.471 269 HB3 HIS 403 HB1 HIS 403 -4.136 2.502 24.978 270 HD1 HIS 403 HD1 HIS 403 -4.683 2.040 27.497 271 HD2 HIS 403 HD2 HIS 403 -4.719 6.078 26.462 272 HE1 HIS 403 HE1 HIS 403 -5.781 3.263 29.424 273 HE2 HIS 403 HE2 HIS 403 -5.812 5.727 28.808 274 H HIS 404 HN HIS 404 -1.382 4.191 27.729 275 HA HIS 404 HA HIS 404 -0.985 1.457 28.767 276 HB2 HIS 404 HB2 HIS 404 0.017 4.153 29.704 277 HB3 HIS 404 HB1 HIS 404 0.291 2.641 30.572 278 HD1 HIS 404 HD1 HIS 404 1.276 4.492 27.462 279 HD2 HIS 404 HD2 HIS 404 2.121 0.852 29.310 280 HE1 HIS 404 HE1 HIS 404 3.279 3.522 26.251 281 HE2 HIS 404 HE2 HIS 404 3.806 1.302 27.366 282 H ALA 405 HN ALA 405 -2.076 0.678 30.483 283 HA ALA 405 HA ALA 405 -4.504 2.013 31.271 284 HB1 ALA 405 HB1 ALA 405 -4.567 -0.378 31.042 285 HB2 ALA 405 HB2 ALA 405 -4.764 -0.007 32.755 286 HB3 ALA 405 HB3 ALA 405 -3.208 -0.575 32.148 287 H GLY 406 HN GLY 406 -1.290 2.063 32.352 288 HA2 GLY 406 HA2 GLY 406 -1.624 2.340 35.145 289 HA3 GLY 406 HA1 GLY 406 -0.258 2.942 34.211 290 H TYR 407 HN TYR 407 -1.720 4.681 32.494 291 HA TYR 407 HA TYR 407 -2.575 6.778 34.419 292 HB2 TYR 407 HB2 TYR 407 -1.179 7.041 31.745 293 HB3 TYR 407 HB1 TYR 407 -1.801 8.395 32.686 294 HD1 TYR 407 HD2 TYR 407 -0.933 8.742 35.058 295 HD2 TYR 407 HD1 TYR 407 0.933 6.069 32.260 296 HE1 TYR 407 HE2 TYR 407 1.141 8.767 36.416 297 HE2 TYR 407 HE1 TYR 407 3.006 6.094 33.619 298 HH TYR 407 HH TYR 407 4.095 7.661 35.278 299 H GLU 408 HN GLU 408 -4.457 7.829 34.071 300 HA GLU 408 HA GLU 408 -6.311 6.645 32.184 301 HB2 GLU 408 HB2 GLU 408 -6.945 7.337 34.523 302 HB3 GLU 408 HB1 GLU 408 -6.751 9.015 34.013 303 HG2 GLU 408 HG2 GLU 408 -9.084 8.483 33.776 304 HG3 GLU 408 HG1 GLU 408 -8.407 8.531 32.149 305 H GLN 409 HN GLN 409 -6.466 7.297 30.159 306 HA GLN 409 HA GLN 409 -5.151 9.445 28.990 307 HB2 GLN 409 HB2 GLN 409 -6.352 8.960 27.038 308 HB3 GLN 409 HB1 GLN 409 -6.410 7.430 27.909 309 HG2 GLN 409 HG2 GLN 409 -8.649 8.303 28.899 310 HG3 GLN 409 HG1 GLN 409 -8.591 9.500 27.610 311 HE21 GLN 409 HE21 GLN 409 -10.202 8.732 26.221 312 HE22 GLN 409 HE22 GLN 409 -10.196 7.181 25.531 313 H PHE 410 HN PHE 410 -5.607 11.572 28.643 314 HA PHE 410 HA PHE 410 -7.583 12.818 30.324 315 HB2 PHE 410 HB2 PHE 410 -5.417 13.884 29.908 316 HB3 PHE 410 HB1 PHE 410 -5.786 13.984 28.186 317 HD1 PHE 410 HD1 PHE 410 -7.122 14.981 31.538 318 HD2 PHE 410 HD2 PHE 410 -6.927 15.862 27.338 319 HE1 PHE 410 HE1 PHE 410 -8.332 17.110 31.928 320 HE2 PHE 410 HE2 PHE 410 -8.136 17.990 27.728 321 HZ PHE 410 HZ PHE 410 -8.839 18.616 30.022 Start of MODEL 3 1 H1 SER 369 HT1 SER 369 12.393 6.227 -29.733 2 H2 SER 369 HT2 SER 369 11.324 7.472 -30.172 3 H3 SER 369 HT3 SER 369 10.987 6.494 -28.825 4 HA SER 369 HA SER 369 12.645 7.449 -27.530 5 HB2 SER 369 HB2 SER 369 13.693 8.871 -29.984 6 HB3 SER 369 HB1 SER 369 14.468 8.721 -28.410 7 HG SER 369 HG SER 369 13.959 6.689 -30.326 8 H ALA 370 HN ALA 370 10.133 8.343 -29.285 9 HA ALA 370 HA ALA 370 10.110 11.194 -29.079 10 HB1 ALA 370 HB1 ALA 370 8.641 10.046 -30.668 11 HB2 ALA 370 HB2 ALA 370 7.689 11.000 -29.531 12 HB3 ALA 370 HB3 ALA 370 7.797 9.251 -29.337 13 H ASP 371 HN ASP 371 9.111 12.518 -27.593 14 HA ASP 371 HA ASP 371 9.242 11.744 -24.879 15 HB2 ASP 371 HB2 ASP 371 7.845 14.105 -26.177 16 HB3 ASP 371 HB1 ASP 371 8.014 13.888 -24.436 17 H ASP 372 HN ASP 372 6.475 12.151 -27.065 18 HA ASP 372 HA ASP 372 4.486 11.484 -25.142 19 HB2 ASP 372 HB2 ASP 372 3.992 12.715 -27.228 20 HB3 ASP 372 HB1 ASP 372 4.383 11.271 -28.161 21 H ASP 373 HN ASP 373 3.723 9.557 -24.484 22 HA ASP 373 HA ASP 373 3.601 7.287 -24.153 23 HB2 ASP 373 HB2 ASP 373 2.598 7.553 -26.491 24 HB3 ASP 373 HB1 ASP 373 4.161 7.018 -27.105 25 H ASN 374 HN ASN 374 4.873 5.111 -25.031 26 HA ASN 374 HA ASN 374 6.831 3.934 -24.779 27 HB2 ASN 374 HB2 ASN 374 7.827 6.389 -26.235 28 HB3 ASN 374 HB1 ASN 374 8.847 4.993 -25.890 29 HD21 ASN 374 HD21 ASN 374 8.127 5.848 -28.580 30 HD22 ASN 374 HD22 ASN 374 7.200 4.604 -29.271 31 H PHE 375 HN PHE 375 5.998 5.433 -22.526 32 HA PHE 375 HA PHE 375 8.303 6.803 -21.424 33 HB2 PHE 375 HB2 PHE 375 5.657 5.979 -20.208 34 HB3 PHE 375 HB1 PHE 375 6.897 6.901 -19.357 35 HD1 PHE 375 HD2 PHE 375 7.729 9.084 -20.467 36 HD2 PHE 375 HD1 PHE 375 4.090 7.090 -21.579 37 HE1 PHE 375 HE2 PHE 375 6.897 11.180 -21.501 38 HE2 PHE 375 HE1 PHE 375 3.259 9.185 -22.613 39 HZ PHE 375 HZ PHE 375 4.661 11.230 -22.574 40 H LEU 376 HN LEU 376 9.866 5.076 -21.572 41 HA LEU 376 HA LEU 376 9.440 2.734 -19.855 42 HB2 LEU 376 HB2 LEU 376 11.508 3.525 -21.897 43 HB3 LEU 376 HB1 LEU 376 11.852 2.235 -20.744 44 HG LEU 376 HG LEU 376 9.786 1.067 -21.460 45 HD11 LEU 376 HD11 LEU 376 9.608 3.445 -23.317 46 HD12 LEU 376 HD12 LEU 376 8.386 2.848 -22.194 47 HD13 LEU 376 HD13 LEU 376 8.771 1.929 -23.649 48 HD21 LEU 376 HD21 LEU 376 11.632 1.818 -23.751 49 HD22 LEU 376 HD22 LEU 376 10.616 0.379 -23.673 50 HD23 LEU 376 HD23 LEU 376 11.959 0.571 -22.547 51 H VAL 377 HN VAL 377 10.256 2.521 -17.884 52 HA VAL 377 HA VAL 377 11.292 3.046 -15.907 53 HB VAL 377 HB VAL 377 13.456 4.323 -17.578 54 HG11 VAL 377 HG11 VAL 377 13.498 2.685 -15.024 55 HG12 VAL 377 HG12 VAL 377 13.614 4.442 -15.099 56 HG13 VAL 377 HG13 VAL 377 14.892 3.445 -15.792 57 HG21 VAL 377 HG21 VAL 377 12.922 2.213 -18.663 58 HG22 VAL 377 HG22 VAL 377 12.883 1.381 -17.109 59 HG23 VAL 377 HG23 VAL 377 14.409 2.003 -17.738 60 HA PRO 378 HA PRO 378 9.985 7.555 -16.579 61 HB2 PRO 378 HB2 PRO 378 7.590 7.392 -15.217 62 HB3 PRO 378 HB1 PRO 378 7.744 7.124 -16.965 63 HG2 PRO 378 HG2 PRO 378 7.585 5.120 -14.753 64 HG3 PRO 378 HG1 PRO 378 6.809 5.100 -16.346 65 HD2 PRO 378 HD2 PRO 378 9.041 3.641 -15.811 66 HD3 PRO 378 HD1 PRO 378 8.731 4.329 -17.419 67 H ILE 379 HN ILE 379 10.065 9.175 -14.977 68 HA ILE 379 HA ILE 379 11.527 8.547 -12.630 69 HB ILE 379 HB ILE 379 9.984 11.077 -13.245 70 HG12 ILE 379 HG12 ILE 379 12.901 10.448 -13.784 71 HG13 ILE 379 HG11 ILE 379 11.643 10.317 -15.014 72 HG21 ILE 379 HG21 ILE 379 11.738 12.070 -11.750 73 HG22 ILE 379 HG22 ILE 379 12.295 10.437 -11.388 74 HG23 ILE 379 HG23 ILE 379 10.673 10.940 -10.915 75 HD11 ILE 379 HD11 ILE 379 12.819 12.519 -15.071 76 HD12 ILE 379 HD12 ILE 379 12.241 12.834 -13.435 77 HD13 ILE 379 HD13 ILE 379 11.090 12.676 -14.761 78 H ALA 380 HN ALA 380 8.115 9.363 -13.184 79 HA ALA 380 HA ALA 380 7.126 9.624 -10.659 80 HB1 ALA 380 HB1 ALA 380 5.075 8.266 -11.587 81 HB2 ALA 380 HB2 ALA 380 5.966 8.302 -13.109 82 HB3 ALA 380 HB3 ALA 380 5.497 9.809 -12.327 83 H VAL 381 HN VAL 381 8.659 6.820 -11.968 84 HA VAL 381 HA VAL 381 7.489 4.780 -10.458 85 HB VAL 381 HB VAL 381 9.106 4.506 -12.355 86 HG11 VAL 381 HG11 VAL 381 11.269 4.953 -10.291 87 HG12 VAL 381 HG12 VAL 381 10.702 6.266 -11.321 88 HG13 VAL 381 HG13 VAL 381 11.434 4.833 -12.042 89 HG21 VAL 381 HG21 VAL 381 9.851 3.125 -9.759 90 HG22 VAL 381 HG22 VAL 381 10.204 2.530 -11.381 91 HG23 VAL 381 HG23 VAL 381 8.534 2.644 -10.828 92 H GLY 382 HN GLY 382 10.217 6.934 -9.720 93 HA2 GLY 382 HA2 GLY 382 10.871 5.784 -7.218 94 HA3 GLY 382 HA1 GLY 382 11.296 7.410 -7.742 95 H ALA 383 HN ALA 383 8.604 8.313 -8.180 96 HA ALA 383 HA ALA 383 7.979 9.258 -5.587 97 HB1 ALA 383 HB1 ALA 383 6.160 9.208 -8.005 98 HB2 ALA 383 HB2 ALA 383 7.412 10.421 -7.734 99 HB3 ALA 383 HB3 ALA 383 6.053 10.291 -6.616 100 H ALA 384 HN ALA 384 6.600 6.680 -7.589 101 HA ALA 384 HA ALA 384 4.393 6.068 -5.944 102 HB1 ALA 384 HB1 ALA 384 4.817 5.260 -8.312 103 HB2 ALA 384 HB2 ALA 384 4.225 4.036 -7.188 104 HB3 ALA 384 HB3 ALA 384 5.934 4.083 -7.621 105 H LEU 385 HN LEU 385 7.679 4.744 -6.036 106 HA LEU 385 HA LEU 385 7.271 2.871 -3.926 107 HB2 LEU 385 HB2 LEU 385 9.621 3.965 -5.396 108 HB3 LEU 385 HB1 LEU 385 9.938 3.182 -3.849 109 HG LEU 385 HG LEU 385 8.157 1.777 -5.846 110 HD11 LEU 385 HD11 LEU 385 11.174 1.970 -5.959 111 HD12 LEU 385 HD12 LEU 385 10.020 2.318 -7.246 112 HD13 LEU 385 HD13 LEU 385 10.269 0.656 -6.711 113 HD21 LEU 385 HD21 LEU 385 8.643 1.038 -3.431 114 HD22 LEU 385 HD22 LEU 385 10.271 0.659 -3.995 115 HD23 LEU 385 HD23 LEU 385 8.880 -0.173 -4.691 116 H ALA 386 HN ALA 386 8.505 6.175 -4.016 117 HA ALA 386 HA ALA 386 9.295 6.306 -1.310 118 HB1 ALA 386 HB1 ALA 386 9.350 8.699 -1.618 119 HB2 ALA 386 HB2 ALA 386 8.304 8.584 -3.034 120 HB3 ALA 386 HB3 ALA 386 9.944 7.939 -3.094 121 H GLY 387 HN GLY 387 6.232 6.948 -2.945 122 HA2 GLY 387 HA2 GLY 387 4.843 8.093 -0.777 123 HA3 GLY 387 HA1 GLY 387 4.099 7.255 -2.138 124 H VAL 388 HN VAL 388 5.222 4.726 -1.821 125 HA VAL 388 HA VAL 388 3.502 3.562 0.095 126 HB VAL 388 HB VAL 388 5.908 2.426 -1.348 127 HG11 VAL 388 HG11 VAL 388 5.526 1.044 0.572 128 HG12 VAL 388 HG12 VAL 388 4.749 0.226 -0.783 129 HG13 VAL 388 HG13 VAL 388 3.775 1.137 0.373 130 HG21 VAL 388 HG21 VAL 388 3.829 3.267 -2.642 131 HG22 VAL 388 HG22 VAL 388 2.975 1.921 -1.887 132 HG23 VAL 388 HG23 VAL 388 4.350 1.610 -2.946 133 H LEU 389 HN LEU 389 6.982 4.245 0.115 134 HA LEU 389 HA LEU 389 7.554 3.029 2.583 135 HB2 LEU 389 HB2 LEU 389 9.110 4.129 0.688 136 HB3 LEU 389 HB1 LEU 389 9.066 5.499 1.797 137 HG LEU 389 HG LEU 389 9.921 2.669 2.466 138 HD11 LEU 389 HD11 LEU 389 11.411 5.281 2.145 139 HD12 LEU 389 HD12 LEU 389 11.642 3.787 1.237 140 HD13 LEU 389 HD13 LEU 389 12.105 3.866 2.935 141 HD21 LEU 389 HD21 LEU 389 8.964 3.427 4.467 142 HD22 LEU 389 HD22 LEU 389 9.403 5.106 4.165 143 HD23 LEU 389 HD23 LEU 389 10.639 3.942 4.653 144 H ILE 390 HN ILE 390 6.378 6.261 1.766 145 HA ILE 390 HA ILE 390 6.643 7.388 4.341 146 HB ILE 390 HB ILE 390 4.726 8.012 2.085 147 HG12 ILE 390 HG12 ILE 390 7.341 8.353 1.935 148 HG13 ILE 390 HG11 ILE 390 6.264 9.641 1.403 149 HG21 ILE 390 HG21 ILE 390 3.633 8.883 4.001 150 HG22 ILE 390 HG22 ILE 390 4.562 10.252 3.389 151 HG23 ILE 390 HG23 ILE 390 5.157 9.332 4.769 152 HD11 ILE 390 HD11 ILE 390 6.646 10.939 3.326 153 HD12 ILE 390 HD12 ILE 390 8.242 10.275 2.977 154 HD13 ILE 390 HD13 ILE 390 7.249 9.568 4.254 155 H LEU 391 HN LEU 391 4.061 5.612 2.747 156 HA LEU 391 HA LEU 391 2.123 5.839 4.760 157 HB2 LEU 391 HB2 LEU 391 2.652 3.857 2.569 158 HB3 LEU 391 HB1 LEU 391 1.345 3.578 3.717 159 HG LEU 391 HG LEU 391 1.554 6.273 2.380 160 HD11 LEU 391 HD11 LEU 391 1.656 4.943 0.430 161 HD12 LEU 391 HD12 LEU 391 -0.066 5.263 0.625 162 HD13 LEU 391 HD13 LEU 391 0.603 3.704 1.109 163 HD21 LEU 391 HD21 LEU 391 -0.797 6.352 2.799 164 HD22 LEU 391 HD22 LEU 391 -0.098 5.634 4.249 165 HD23 LEU 391 HD23 LEU 391 -0.883 4.609 3.051 166 H VAL 392 HN VAL 392 4.741 3.551 4.235 167 HA VAL 392 HA VAL 392 4.108 1.732 6.298 168 HB VAL 392 HB VAL 392 6.745 2.450 4.996 169 HG11 VAL 392 HG11 VAL 392 6.021 0.328 7.023 170 HG12 VAL 392 HG12 VAL 392 7.346 1.491 7.087 171 HG13 VAL 392 HG13 VAL 392 7.404 0.150 5.943 172 HG21 VAL 392 HG21 VAL 392 4.883 1.404 3.618 173 HG22 VAL 392 HG22 VAL 392 4.994 -0.002 4.674 174 HG23 VAL 392 HG23 VAL 392 6.376 0.466 3.682 175 H LEU 393 HN LEU 393 6.075 4.659 6.220 176 HA LEU 393 HA LEU 393 7.158 4.463 8.819 177 HB2 LEU 393 HB2 LEU 393 6.731 6.671 6.850 178 HB3 LEU 393 HB1 LEU 393 7.159 7.115 8.501 179 HG LEU 393 HG LEU 393 8.775 4.983 7.097 180 HD11 LEU 393 HD11 LEU 393 10.260 6.707 6.172 181 HD12 LEU 393 HD12 LEU 393 9.179 7.970 6.761 182 HD13 LEU 393 HD13 LEU 393 8.638 6.866 5.498 183 HD21 LEU 393 HD21 LEU 393 8.970 5.714 9.573 184 HD22 LEU 393 HD22 LEU 393 9.697 7.194 8.943 185 HD23 LEU 393 HD23 LEU 393 10.460 5.634 8.633 186 H LEU 394 HN LEU 394 4.173 5.910 7.636 187 HA LEU 394 HA LEU 394 3.407 7.133 10.050 188 HB2 LEU 394 HB2 LEU 394 2.370 7.638 7.896 189 HB3 LEU 394 HB1 LEU 394 1.705 6.008 7.832 190 HG LEU 394 HG LEU 394 1.050 7.444 10.334 191 HD11 LEU 394 HD11 LEU 394 0.850 9.393 8.999 192 HD12 LEU 394 HD12 LEU 394 -0.788 8.761 9.154 193 HD13 LEU 394 HD13 LEU 394 0.122 8.501 7.665 194 HD21 LEU 394 HD21 LEU 394 -1.052 6.366 10.073 195 HD22 LEU 394 HD22 LEU 394 0.106 5.217 9.402 196 HD23 LEU 394 HD23 LEU 394 -0.857 6.227 8.323 197 H ALA 395 HN ALA 395 2.791 3.882 8.747 198 HA ALA 395 HA ALA 395 1.000 2.983 10.703 199 HB1 ALA 395 HB1 ALA 395 1.350 1.652 8.738 200 HB2 ALA 395 HB2 ALA 395 1.906 0.692 10.110 201 HB3 ALA 395 HB3 ALA 395 3.075 1.507 9.072 202 H TYR 396 HN TYR 396 4.547 2.742 10.582 203 HA TYR 396 HA TYR 396 4.849 1.494 13.105 204 HB2 TYR 396 HB2 TYR 396 6.647 1.437 11.470 205 HB3 TYR 396 HB1 TYR 396 6.784 3.196 11.514 206 HD1 TYR 396 HD1 TYR 396 7.155 0.101 13.549 207 HD2 TYR 396 HD2 TYR 396 8.007 4.299 13.237 208 HE1 TYR 396 HE1 TYR 396 8.691 -0.066 15.491 209 HE2 TYR 396 HE2 TYR 396 9.543 4.132 15.176 210 HH TYR 396 HH TYR 396 10.627 1.158 16.409 211 H PHE 397 HN PHE 397 4.645 4.855 12.084 212 HA PHE 397 HA PHE 397 5.551 6.132 14.395 213 HB2 PHE 397 HB2 PHE 397 4.970 7.228 12.198 214 HB3 PHE 397 HB1 PHE 397 3.271 7.079 12.642 215 HD1 PHE 397 HD2 PHE 397 2.476 8.146 14.825 216 HD2 PHE 397 HD1 PHE 397 6.294 8.979 13.051 217 HE1 PHE 397 HE2 PHE 397 2.656 10.209 16.189 218 HE2 PHE 397 HE1 PHE 397 6.479 11.043 14.416 219 HZ PHE 397 HZ PHE 397 4.658 11.657 15.986 220 H ILE 398 HN ILE 398 2.279 5.016 13.554 221 HA ILE 398 HA ILE 398 1.029 5.926 15.921 222 HB ILE 398 HB ILE 398 0.269 3.733 13.971 223 HG12 ILE 398 HG12 ILE 398 -0.907 6.491 14.400 224 HG13 ILE 398 HG11 ILE 398 0.352 6.151 13.211 225 HG21 ILE 398 HG21 ILE 398 -0.841 3.168 16.002 226 HG22 ILE 398 HG22 ILE 398 -2.027 4.073 15.060 227 HG23 ILE 398 HG23 ILE 398 -1.165 4.859 16.383 228 HD11 ILE 398 HD11 ILE 398 -1.059 4.625 12.017 229 HD12 ILE 398 HD12 ILE 398 -2.027 6.069 12.315 230 HD13 ILE 398 HD13 ILE 398 -2.262 4.630 13.307 231 H GLY 399 HN GLY 399 2.528 2.824 15.038 232 HA2 GLY 399 HA2 GLY 399 1.812 1.407 17.364 233 HA3 GLY 399 HA1 GLY 399 3.169 1.026 16.307 234 H LEU 400 HN LEU 400 4.598 3.440 16.581 235 HA LEU 400 HA LEU 400 6.097 2.893 18.902 236 HB2 LEU 400 HB2 LEU 400 7.112 3.995 16.984 237 HB3 LEU 400 HB1 LEU 400 6.035 5.377 17.165 238 HG LEU 400 HG LEU 400 7.019 5.900 19.354 239 HD11 LEU 400 HD11 LEU 400 7.641 3.872 20.340 240 HD12 LEU 400 HD12 LEU 400 9.210 4.527 19.875 241 HD13 LEU 400 HD13 LEU 400 8.443 3.286 18.884 242 HD21 LEU 400 HD21 LEU 400 9.151 5.405 17.252 243 HD22 LEU 400 HD22 LEU 400 9.263 6.541 18.597 244 HD23 LEU 400 HD23 LEU 400 8.085 6.810 17.314 245 H LYS 401 HN LYS 401 3.627 5.323 18.196 246 HA LYS 401 HA LYS 401 3.851 6.799 20.577 247 HB2 LYS 401 HB2 LYS 401 2.590 7.545 18.569 248 HB3 LYS 401 HB1 LYS 401 1.360 6.330 18.919 249 HG2 LYS 401 HG2 LYS 401 0.912 7.368 21.092 250 HG3 LYS 401 HG1 LYS 401 2.187 8.553 20.808 251 HD2 LYS 401 HD2 LYS 401 0.967 9.385 18.825 252 HD3 LYS 401 HD1 LYS 401 -0.315 8.211 19.128 253 HE2 LYS 401 HE2 LYS 401 -0.752 9.235 21.322 254 HE3 LYS 401 HE1 LYS 401 0.546 10.397 21.047 255 HZ1 LYS 401 HZ1 LYS 401 -0.728 11.614 19.701 256 HZ2 LYS 401 HZ2 LYS 401 -2.039 10.781 20.390 257 HZ3 LYS 401 HZ3 LYS 401 -1.380 10.263 18.911 258 H HIS 402 HN HIS 402 1.926 3.937 19.758 259 HA HIS 402 HA HIS 402 1.692 3.291 22.595 260 HB2 HIS 402 HB2 HIS 402 -0.284 4.698 22.169 261 HB3 HIS 402 HB1 HIS 402 -0.749 3.639 20.837 262 HD1 HIS 402 HD1 HIS 402 0.031 3.330 24.562 263 HD2 HIS 402 HD2 HIS 402 -2.369 1.559 21.650 264 HE1 HIS 402 HE1 HIS 402 -1.384 1.600 25.754 265 HE2 HIS 402 HE2 HIS 402 -2.853 0.511 23.992 266 H HIS 403 HN HIS 403 1.707 1.138 22.935 267 HA HIS 403 HA HIS 403 2.203 -0.605 20.709 268 HB2 HIS 403 HB2 HIS 403 3.356 -0.994 22.810 269 HB3 HIS 403 HB1 HIS 403 1.821 -1.166 23.660 270 HD1 HIS 403 HD1 HIS 403 3.791 -2.845 20.870 271 HD2 HIS 403 HD2 HIS 403 0.797 -3.752 23.625 272 HE1 HIS 403 HE1 HIS 403 3.355 -5.331 20.659 273 HE2 HIS 403 HE2 HIS 403 1.532 -5.900 22.333 274 H HIS 404 HN HIS 404 0.796 -1.820 19.604 275 HA HIS 404 HA HIS 404 -2.020 -1.622 20.167 276 HB2 HIS 404 HB2 HIS 404 -0.943 -1.744 17.852 277 HB3 HIS 404 HB1 HIS 404 -0.714 -3.464 18.161 278 HD1 HIS 404 HD1 HIS 404 -3.658 -1.092 18.719 279 HD2 HIS 404 HD2 HIS 404 -2.831 -4.805 17.014 280 HE1 HIS 404 HE1 HIS 404 -5.864 -1.992 17.860 281 HE2 HIS 404 HE2 HIS 404 -5.377 -4.256 16.818 282 H ALA 405 HN ALA 405 -3.230 -2.972 21.332 283 HA ALA 405 HA ALA 405 -2.020 -5.235 22.649 284 HB1 ALA 405 HB1 ALA 405 -4.819 -4.095 22.678 285 HB2 ALA 405 HB2 ALA 405 -3.578 -3.928 23.919 286 HB3 ALA 405 HB3 ALA 405 -4.328 -5.497 23.629 287 H GLY 406 HN GLY 406 -3.573 -4.765 19.686 288 HA2 GLY 406 HA2 GLY 406 -5.044 -7.162 19.401 289 HA3 GLY 406 HA1 GLY 406 -4.390 -6.199 18.079 290 H TYR 407 HN TYR 407 -1.640 -6.382 18.913 291 HA TYR 407 HA TYR 407 -1.021 -8.989 17.793 292 HB2 TYR 407 HB2 TYR 407 0.227 -7.011 17.058 293 HB3 TYR 407 HB1 TYR 407 0.786 -6.739 18.710 294 HD1 TYR 407 HD1 TYR 407 0.820 -9.214 15.919 295 HD2 TYR 407 HD2 TYR 407 2.674 -7.894 19.561 296 HE1 TYR 407 HE1 TYR 407 2.687 -10.803 15.545 297 HE2 TYR 407 HE2 TYR 407 4.541 -9.481 19.187 298 HH TYR 407 HH TYR 407 5.513 -10.635 16.768 299 H GLU 408 HN GLU 408 -0.311 -10.735 18.878 300 HA GLU 408 HA GLU 408 -0.297 -10.652 21.784 301 HB2 GLU 408 HB2 GLU 408 -1.356 -12.524 20.526 302 HB3 GLU 408 HB1 GLU 408 0.237 -12.977 19.921 303 HG2 GLU 408 HG2 GLU 408 1.034 -13.332 22.215 304 HG3 GLU 408 HG1 GLU 408 -0.529 -12.822 22.851 305 H GLN 409 HN GLN 409 1.471 -10.117 22.860 306 HA GLN 409 HA GLN 409 4.027 -9.766 21.842 307 HB2 GLN 409 HB2 GLN 409 4.790 -9.948 24.235 308 HB3 GLN 409 HB1 GLN 409 3.459 -8.820 23.979 309 HG2 GLN 409 HG2 GLN 409 2.966 -11.698 24.761 310 HG3 GLN 409 HG1 GLN 409 3.245 -10.444 25.971 311 HE21 GLN 409 HE21 GLN 409 0.740 -12.058 24.675 312 HE22 GLN 409 HE22 GLN 409 -0.438 -10.837 24.641 313 H PHE 410 HN PHE 410 5.899 -11.007 21.805 314 HA PHE 410 HA PHE 410 5.911 -13.737 22.756 315 HB2 PHE 410 HB2 PHE 410 4.686 -14.062 20.679 316 HB3 PHE 410 HB1 PHE 410 5.916 -13.172 19.781 317 HD1 PHE 410 HD1 PHE 410 5.483 -16.138 22.026 318 HD2 PHE 410 HD2 PHE 410 7.765 -14.314 18.875 319 HE1 PHE 410 HE1 PHE 410 6.801 -18.224 21.772 320 HE2 PHE 410 HE2 PHE 410 9.081 -16.400 18.622 321 HZ PHE 410 HZ PHE 410 8.600 -18.355 20.069 Start of MODEL 4 1 H1 SER 369 HT1 SER 369 21.681 3.229 -29.238 2 H2 SER 369 HT2 SER 369 21.143 4.766 -29.723 3 H3 SER 369 HT3 SER 369 20.049 3.655 -29.047 4 HA SER 369 HA SER 369 22.252 4.115 -27.304 5 HB2 SER 369 HB2 SER 369 22.438 6.324 -28.096 6 HB3 SER 369 HB1 SER 369 20.709 6.457 -28.404 7 HG SER 369 HG SER 369 21.541 7.533 -26.461 8 H ALA 370 HN ALA 370 18.835 4.883 -27.991 9 HA ALA 370 HA ALA 370 17.990 3.246 -25.724 10 HB1 ALA 370 HB1 ALA 370 17.027 6.101 -25.871 11 HB2 ALA 370 HB2 ALA 370 18.438 5.647 -24.914 12 HB3 ALA 370 HB3 ALA 370 16.861 4.951 -24.544 13 H ASP 371 HN ASP 371 15.790 2.653 -25.822 14 HA ASP 371 HA ASP 371 14.221 3.556 -28.141 15 HB2 ASP 371 HB2 ASP 371 15.482 1.582 -28.915 16 HB3 ASP 371 HB1 ASP 371 14.828 0.644 -27.573 17 H ASP 372 HN ASP 372 12.482 4.336 -27.096 18 HA ASP 372 HA ASP 372 10.617 4.435 -25.765 19 HB2 ASP 372 HB2 ASP 372 10.834 1.455 -26.208 20 HB3 ASP 372 HB1 ASP 372 9.479 2.206 -25.368 21 H ASP 373 HN ASP 373 13.149 4.487 -24.415 22 HA ASP 373 HA ASP 373 13.216 2.783 -22.163 23 HB2 ASP 373 HB2 ASP 373 15.175 4.052 -22.852 24 HB3 ASP 373 HB1 ASP 373 14.340 5.568 -22.519 25 H ASN 374 HN ASN 374 11.697 5.941 -22.692 26 HA ASN 374 HA ASN 374 10.932 6.408 -20.009 27 HB2 ASN 374 HB2 ASN 374 9.808 7.384 -22.634 28 HB3 ASN 374 HB1 ASN 374 9.201 7.924 -21.070 29 HD21 ASN 374 HD21 ASN 374 10.530 9.678 -22.983 30 HD22 ASN 374 HD22 ASN 374 11.970 10.212 -22.257 31 H PHE 375 HN PHE 375 9.322 4.728 -22.677 32 HA PHE 375 HA PHE 375 6.809 4.362 -21.484 33 HB2 PHE 375 HB2 PHE 375 7.328 3.894 -23.870 34 HB3 PHE 375 HB1 PHE 375 8.238 2.469 -23.364 35 HD1 PHE 375 HD1 PHE 375 4.881 4.055 -22.784 36 HD2 PHE 375 HD2 PHE 375 7.101 0.419 -23.337 37 HE1 PHE 375 HE1 PHE 375 2.773 2.754 -22.700 38 HE2 PHE 375 HE2 PHE 375 4.993 -0.881 -23.250 39 HZ PHE 375 HZ PHE 375 2.828 0.285 -22.933 40 H LEU 376 HN LEU 376 9.732 2.343 -21.359 41 HA LEU 376 HA LEU 376 8.455 0.607 -19.339 42 HB2 LEU 376 HB2 LEU 376 10.841 0.333 -21.154 43 HB3 LEU 376 HB1 LEU 376 10.710 -0.682 -19.719 44 HG LEU 376 HG LEU 376 8.336 -0.477 -21.573 45 HD11 LEU 376 HD11 LEU 376 9.271 -2.505 -22.769 46 HD12 LEU 376 HD12 LEU 376 10.828 -2.137 -22.028 47 HD13 LEU 376 HD13 LEU 376 10.087 -0.986 -23.141 48 HD21 LEU 376 HD21 LEU 376 7.995 -2.794 -20.778 49 HD22 LEU 376 HD22 LEU 376 8.137 -1.680 -19.420 50 HD23 LEU 376 HD23 LEU 376 9.501 -2.703 -19.868 51 H VAL 377 HN VAL 377 8.993 0.704 -17.248 52 HA VAL 377 HA VAL 377 10.004 1.380 -15.298 53 HB VAL 377 HB VAL 377 12.521 1.744 -16.925 54 HG11 VAL 377 HG11 VAL 377 12.639 2.450 -14.587 55 HG12 VAL 377 HG12 VAL 377 13.552 0.955 -14.794 56 HG13 VAL 377 HG13 VAL 377 11.947 0.915 -14.063 57 HG21 VAL 377 HG21 VAL 377 11.630 -0.408 -17.574 58 HG22 VAL 377 HG22 VAL 377 11.218 -0.796 -15.903 59 HG23 VAL 377 HG23 VAL 377 12.909 -0.700 -16.394 60 HA PRO 378 HA PRO 378 9.866 5.799 -16.898 61 HB2 PRO 378 HB2 PRO 378 7.405 6.489 -15.928 62 HB3 PRO 378 HB1 PRO 378 7.635 5.731 -17.518 63 HG2 PRO 378 HG2 PRO 378 6.783 4.491 -14.939 64 HG3 PRO 378 HG1 PRO 378 6.181 4.200 -16.581 65 HD2 PRO 378 HD2 PRO 378 7.970 2.530 -15.322 66 HD3 PRO 378 HD1 PRO 378 7.891 2.715 -17.088 67 H ILE 379 HN ILE 379 9.816 7.776 -15.572 68 HA ILE 379 HA ILE 379 11.157 7.459 -13.111 69 HB ILE 379 HB ILE 379 9.756 9.858 -14.318 70 HG12 ILE 379 HG12 ILE 379 12.710 9.233 -14.051 71 HG13 ILE 379 HG11 ILE 379 11.768 8.826 -15.486 72 HG21 ILE 379 HG21 ILE 379 11.281 11.102 -12.665 73 HG22 ILE 379 HG22 ILE 379 11.455 9.558 -11.832 74 HG23 ILE 379 HG23 ILE 379 9.865 10.306 -11.977 75 HD11 ILE 379 HD11 ILE 379 12.006 11.618 -14.330 76 HD12 ILE 379 HD12 ILE 379 11.196 11.170 -15.831 77 HD13 ILE 379 HD13 ILE 379 12.948 11.020 -15.695 78 H ALA 380 HN ALA 380 7.778 8.215 -13.887 79 HA ALA 380 HA ALA 380 6.705 8.858 -11.481 80 HB1 ALA 380 HB1 ALA 380 5.607 7.104 -13.678 81 HB2 ALA 380 HB2 ALA 380 5.181 8.761 -13.263 82 HB3 ALA 380 HB3 ALA 380 4.667 7.437 -12.222 83 H VAL 381 HN VAL 381 8.287 5.887 -12.231 84 HA VAL 381 HA VAL 381 7.050 4.216 -10.289 85 HB VAL 381 HB VAL 381 9.728 4.109 -11.695 86 HG11 VAL 381 HG11 VAL 381 10.148 2.981 -9.634 87 HG12 VAL 381 HG12 VAL 381 9.742 1.706 -10.783 88 HG13 VAL 381 HG13 VAL 381 8.540 2.257 -9.617 89 HG21 VAL 381 HG21 VAL 381 7.399 2.190 -11.892 90 HG22 VAL 381 HG22 VAL 381 8.711 2.444 -13.040 91 HG23 VAL 381 HG23 VAL 381 7.449 3.658 -12.862 92 H GLY 382 HN GLY 382 9.927 6.312 -10.213 93 HA2 GLY 382 HA2 GLY 382 10.803 5.628 -7.620 94 HA3 GLY 382 HA1 GLY 382 11.170 7.134 -8.459 95 H ALA 383 HN ALA 383 8.513 8.086 -8.765 96 HA ALA 383 HA ALA 383 8.137 9.409 -6.299 97 HB1 ALA 383 HB1 ALA 383 6.322 9.071 -8.694 98 HB2 ALA 383 HB2 ALA 383 7.348 10.453 -8.311 99 HB3 ALA 383 HB3 ALA 383 5.934 10.105 -7.317 100 H ALA 384 HN ALA 384 6.568 6.595 -7.753 101 HA ALA 384 HA ALA 384 4.537 6.277 -5.806 102 HB1 ALA 384 HB1 ALA 384 5.869 4.233 -7.598 103 HB2 ALA 384 HB2 ALA 384 4.409 5.152 -7.964 104 HB3 ALA 384 HB3 ALA 384 4.395 3.954 -6.671 105 H LEU 385 HN LEU 385 7.868 5.128 -6.015 106 HA LEU 385 HA LEU 385 7.783 3.283 -3.886 107 HB2 LEU 385 HB2 LEU 385 9.641 3.839 -5.698 108 HB3 LEU 385 HB1 LEU 385 10.261 4.901 -4.437 109 HG LEU 385 HG LEU 385 9.735 1.927 -4.164 110 HD11 LEU 385 HD11 LEU 385 12.316 3.513 -4.226 111 HD12 LEU 385 HD12 LEU 385 11.714 2.478 -5.521 112 HD13 LEU 385 HD13 LEU 385 12.184 1.772 -3.976 113 HD21 LEU 385 HD21 LEU 385 11.111 2.416 -1.973 114 HD22 LEU 385 HD22 LEU 385 9.382 2.739 -1.996 115 HD23 LEU 385 HD23 LEU 385 10.526 4.066 -2.193 116 H ALA 386 HN ALA 386 8.574 6.755 -3.956 117 HA ALA 386 HA ALA 386 9.216 7.008 -1.212 118 HB1 ALA 386 HB1 ALA 386 9.091 9.363 -1.554 119 HB2 ALA 386 HB2 ALA 386 8.004 9.177 -2.930 120 HB3 ALA 386 HB3 ALA 386 9.691 8.685 -3.067 121 H GLY 387 HN GLY 387 6.167 7.243 -2.983 122 HA2 GLY 387 HA2 GLY 387 4.557 8.288 -0.930 123 HA3 GLY 387 HA1 GLY 387 3.981 7.300 -2.266 124 H VAL 388 HN VAL 388 5.219 4.904 -1.825 125 HA VAL 388 HA VAL 388 3.606 3.775 0.219 126 HB VAL 388 HB VAL 388 5.928 2.585 -1.310 127 HG11 VAL 388 HG11 VAL 388 5.592 1.268 0.665 128 HG12 VAL 388 HG12 VAL 388 4.749 0.424 -0.634 129 HG13 VAL 388 HG13 VAL 388 3.838 1.392 0.527 130 HG21 VAL 388 HG21 VAL 388 2.927 2.624 -1.725 131 HG22 VAL 388 HG22 VAL 388 3.986 1.466 -2.531 132 HG23 VAL 388 HG23 VAL 388 4.175 3.194 -2.833 133 H LEU 389 HN LEU 389 7.076 4.520 0.034 134 HA LEU 389 HA LEU 389 7.835 3.279 2.433 135 HB2 LEU 389 HB2 LEU 389 9.224 4.466 0.477 136 HB3 LEU 389 HB1 LEU 389 9.208 5.821 1.599 137 HG LEU 389 HG LEU 389 10.243 3.029 2.155 138 HD11 LEU 389 HD11 LEU 389 12.386 4.295 2.493 139 HD12 LEU 389 HD12 LEU 389 11.570 5.741 1.901 140 HD13 LEU 389 HD13 LEU 389 11.785 4.351 0.836 141 HD21 LEU 389 HD21 LEU 389 11.014 4.253 4.332 142 HD22 LEU 389 HD22 LEU 389 9.348 3.692 4.227 143 HD23 LEU 389 HD23 LEU 389 9.720 5.393 3.956 144 H ILE 390 HN ILE 390 6.592 6.567 1.827 145 HA ILE 390 HA ILE 390 6.918 7.505 4.489 146 HB ILE 390 HB ILE 390 5.063 8.368 2.260 147 HG12 ILE 390 HG12 ILE 390 7.568 9.684 3.390 148 HG13 ILE 390 HG11 ILE 390 7.575 8.640 1.969 149 HG21 ILE 390 HG21 ILE 390 4.942 10.506 3.695 150 HG22 ILE 390 HG22 ILE 390 5.545 9.511 5.020 151 HG23 ILE 390 HG23 ILE 390 4.005 9.122 4.256 152 HD11 ILE 390 HD11 ILE 390 7.401 11.233 1.656 153 HD12 ILE 390 HD12 ILE 390 5.707 11.006 2.085 154 HD13 ILE 390 HD13 ILE 390 6.381 10.189 0.673 155 H LEU 391 HN LEU 391 4.242 5.932 2.789 156 HA LEU 391 HA LEU 391 2.306 6.142 4.806 157 HB2 LEU 391 HB2 LEU 391 2.758 4.225 2.536 158 HB3 LEU 391 HB1 LEU 391 1.430 3.960 3.662 159 HG LEU 391 HG LEU 391 1.773 6.694 2.431 160 HD11 LEU 391 HD11 LEU 391 1.835 5.331 0.462 161 HD12 LEU 391 HD12 LEU 391 0.169 5.885 0.618 162 HD13 LEU 391 HD13 LEU 391 0.600 4.243 1.094 163 HD21 LEU 391 HD21 LEU 391 0.090 6.333 4.211 164 HD22 LEU 391 HD22 LEU 391 -0.632 5.035 3.264 165 HD23 LEU 391 HD23 LEU 391 -0.691 6.694 2.674 166 H VAL 392 HN VAL 392 4.798 3.699 4.222 167 HA VAL 392 HA VAL 392 4.017 1.886 6.248 168 HB VAL 392 HB VAL 392 6.711 2.400 4.971 169 HG11 VAL 392 HG11 VAL 392 5.764 0.276 6.906 170 HG12 VAL 392 HG12 VAL 392 7.186 1.310 7.038 171 HG13 VAL 392 HG13 VAL 392 7.143 0.019 5.837 172 HG21 VAL 392 HG21 VAL 392 4.772 0.115 4.551 173 HG22 VAL 392 HG22 VAL 392 6.159 0.553 3.555 174 HG23 VAL 392 HG23 VAL 392 4.728 1.583 3.574 175 H LEU 393 HN LEU 393 6.190 4.678 6.254 176 HA LEU 393 HA LEU 393 7.269 4.324 8.839 177 HB2 LEU 393 HB2 LEU 393 6.940 6.644 6.970 178 HB3 LEU 393 HB1 LEU 393 7.391 6.994 8.636 179 HG LEU 393 HG LEU 393 8.919 4.863 7.131 180 HD11 LEU 393 HD11 LEU 393 8.874 6.824 5.621 181 HD12 LEU 393 HD12 LEU 393 10.480 6.580 6.309 182 HD13 LEU 393 HD13 LEU 393 9.432 7.849 6.945 183 HD21 LEU 393 HD21 LEU 393 9.844 6.948 9.122 184 HD22 LEU 393 HD22 LEU 393 10.671 5.464 8.651 185 HD23 LEU 393 HD23 LEU 393 9.198 5.384 9.614 186 H LEU 394 HN LEU 394 4.345 5.982 7.724 187 HA LEU 394 HA LEU 394 3.595 7.109 10.203 188 HB2 LEU 394 HB2 LEU 394 2.605 7.790 8.066 189 HB3 LEU 394 HB1 LEU 394 1.872 6.202 7.887 190 HG LEU 394 HG LEU 394 1.235 7.533 10.459 191 HD11 LEU 394 HD11 LEU 394 0.380 8.720 7.816 192 HD12 LEU 394 HD12 LEU 394 1.121 9.544 9.188 193 HD13 LEU 394 HD13 LEU 394 -0.539 8.959 9.303 194 HD21 LEU 394 HD21 LEU 394 -0.902 6.550 10.109 195 HD22 LEU 394 HD22 LEU 394 0.228 5.382 9.428 196 HD23 LEU 394 HD23 LEU 394 -0.665 6.463 8.364 197 H ALA 395 HN ALA 395 2.875 3.962 8.712 198 HA ALA 395 HA ALA 395 1.021 3.024 10.590 199 HB1 ALA 395 HB1 ALA 395 1.399 1.799 8.544 200 HB2 ALA 395 HB2 ALA 395 1.817 0.743 9.894 201 HB3 ALA 395 HB3 ALA 395 3.091 1.531 8.963 202 H TYR 396 HN TYR 396 4.568 2.667 10.530 203 HA TYR 396 HA TYR 396 4.771 1.284 12.994 204 HB2 TYR 396 HB2 TYR 396 6.600 1.285 11.371 205 HB3 TYR 396 HB1 TYR 396 6.802 3.026 11.576 206 HD1 TYR 396 HD1 TYR 396 6.941 -0.233 13.382 207 HD2 TYR 396 HD2 TYR 396 8.079 3.909 13.378 208 HE1 TYR 396 HE1 TYR 396 8.419 -0.637 15.333 209 HE2 TYR 396 HE2 TYR 396 9.556 3.505 15.328 210 HH TYR 396 HH TYR 396 9.700 0.314 16.894 211 H PHE 397 HN PHE 397 4.715 4.692 12.134 212 HA PHE 397 HA PHE 397 5.567 5.816 14.548 213 HB2 PHE 397 HB2 PHE 397 5.120 7.027 12.369 214 HB3 PHE 397 HB1 PHE 397 3.404 6.951 12.760 215 HD1 PHE 397 HD2 PHE 397 2.615 7.947 14.988 216 HD2 PHE 397 HD1 PHE 397 6.497 8.692 13.311 217 HE1 PHE 397 HE2 PHE 397 2.857 9.946 16.437 218 HE2 PHE 397 HE1 PHE 397 6.741 10.691 14.761 219 HZ PHE 397 HZ PHE 397 4.920 11.319 16.323 220 H ILE 398 HN ILE 398 2.304 4.851 13.496 221 HA ILE 398 HA ILE 398 0.974 5.676 15.858 222 HB ILE 398 HB ILE 398 0.221 3.634 13.747 223 HG12 ILE 398 HG12 ILE 398 -0.900 6.390 14.297 224 HG13 ILE 398 HG11 ILE 398 0.424 6.109 13.165 225 HG21 ILE 398 HG21 ILE 398 -1.284 4.686 16.151 226 HG22 ILE 398 HG22 ILE 398 -0.994 3.004 15.706 227 HG23 ILE 398 HG23 ILE 398 -2.102 3.990 14.752 228 HD11 ILE 398 HD11 ILE 398 -0.930 4.779 11.740 229 HD12 ILE 398 HD12 ILE 398 -1.956 6.144 12.181 230 HD13 ILE 398 HD13 ILE 398 -2.177 4.583 12.972 231 H GLY 399 HN GLY 399 2.408 2.577 14.862 232 HA2 GLY 399 HA2 GLY 399 1.546 1.047 17.062 233 HA3 GLY 399 HA1 GLY 399 2.948 0.693 16.057 234 H LEU 400 HN LEU 400 4.267 3.232 16.625 235 HA LEU 400 HA LEU 400 5.775 2.474 18.877 236 HB2 LEU 400 HB2 LEU 400 6.717 3.921 17.157 237 HB3 LEU 400 HB1 LEU 400 5.527 5.170 17.508 238 HG LEU 400 HG LEU 400 6.453 5.466 19.759 239 HD11 LEU 400 HD11 LEU 400 8.107 3.075 18.957 240 HD12 LEU 400 HD12 LEU 400 7.226 3.363 20.458 241 HD13 LEU 400 HD13 LEU 400 8.731 4.222 20.143 242 HD21 LEU 400 HD21 LEU 400 8.751 5.394 17.793 243 HD22 LEU 400 HD22 LEU 400 8.507 6.517 19.132 244 HD23 LEU 400 HD23 LEU 400 7.466 6.600 17.710 245 H LYS 401 HN LYS 401 3.145 4.820 18.477 246 HA LYS 401 HA LYS 401 3.135 5.350 21.376 247 HB2 LYS 401 HB2 LYS 401 1.681 6.666 19.070 248 HB3 LYS 401 HB1 LYS 401 1.488 7.121 20.764 249 HG2 LYS 401 HG2 LYS 401 3.905 7.605 20.911 250 HG3 LYS 401 HG1 LYS 401 4.094 7.164 19.213 251 HD2 LYS 401 HD2 LYS 401 2.537 8.964 18.567 252 HD3 LYS 401 HD1 LYS 401 2.346 9.408 20.264 253 HE2 LYS 401 HE2 LYS 401 4.765 9.890 20.409 254 HE3 LYS 401 HE1 LYS 401 4.949 9.461 18.709 255 HZ1 LYS 401 HZ1 LYS 401 2.889 11.266 18.770 256 HZ2 LYS 401 HZ2 LYS 401 4.482 11.568 18.262 257 HZ3 LYS 401 HZ3 LYS 401 4.022 11.892 19.866 258 H HIS 402 HN HIS 402 1.248 5.107 22.612 259 HA HIS 402 HA HIS 402 -0.709 4.140 23.311 260 HB2 HIS 402 HB2 HIS 402 -1.511 5.108 21.037 261 HB3 HIS 402 HB1 HIS 402 -1.390 3.451 20.452 262 HD1 HIS 402 HD1 HIS 402 -3.081 5.417 23.238 263 HD2 HIS 402 HD2 HIS 402 -3.561 1.859 21.121 264 HE1 HIS 402 HE1 HIS 402 -5.292 4.434 23.984 265 HE2 HIS 402 HE2 HIS 402 -5.599 2.263 22.703 266 H HIS 403 HN HIS 403 1.065 2.415 20.785 267 HA HIS 403 HA HIS 403 0.504 -0.148 22.178 268 HB2 HIS 403 HB2 HIS 403 1.177 0.386 19.276 269 HB3 HIS 403 HB1 HIS 403 1.019 -1.216 19.995 270 HD1 HIS 403 HD1 HIS 403 -1.405 -1.751 21.076 271 HD2 HIS 403 HD2 HIS 403 -1.241 1.530 18.508 272 HE1 HIS 403 HE1 HIS 403 -3.797 -1.225 20.432 273 HE2 HIS 403 HE2 HIS 403 -3.714 0.773 18.867 274 H HIS 404 HN HIS 404 2.202 -1.505 22.647 275 HA HIS 404 HA HIS 404 4.886 -0.275 22.572 276 HB2 HIS 404 HB2 HIS 404 3.780 -2.582 24.192 277 HB3 HIS 404 HB1 HIS 404 5.439 -1.989 24.281 278 HD1 HIS 404 HD1 HIS 404 5.743 0.524 25.136 279 HD2 HIS 404 HD2 HIS 404 1.923 -1.068 25.639 280 HE1 HIS 404 HE1 HIS 404 4.543 2.044 26.769 281 HE2 HIS 404 HE2 HIS 404 2.212 1.086 27.087 282 H ALA 405 HN ALA 405 6.477 -1.094 21.353 283 HA ALA 405 HA ALA 405 5.893 -3.215 19.493 284 HB1 ALA 405 HB1 ALA 405 7.247 -1.334 18.768 285 HB2 ALA 405 HB2 ALA 405 8.223 -2.801 18.713 286 HB3 ALA 405 HB3 ALA 405 8.429 -1.654 20.037 287 H GLY 406 HN GLY 406 7.090 -3.091 22.656 288 HA2 GLY 406 HA2 GLY 406 8.984 -5.193 22.637 289 HA3 GLY 406 HA1 GLY 406 8.075 -4.644 24.041 290 H TYR 407 HN TYR 407 5.463 -5.148 23.069 291 HA TYR 407 HA TYR 407 5.370 -8.047 23.429 292 HB2 TYR 407 HB2 TYR 407 3.862 -6.643 24.758 293 HB3 TYR 407 HB1 TYR 407 3.153 -5.987 23.281 294 HD1 TYR 407 HD1 TYR 407 3.755 -9.187 25.119 295 HD2 TYR 407 HD2 TYR 407 1.387 -7.123 22.188 296 HE1 TYR 407 HE1 TYR 407 2.203 -11.117 25.013 297 HE2 TYR 407 HE2 TYR 407 -0.165 -9.054 22.083 298 HH TYR 407 HH TYR 407 0.194 -11.731 22.642 299 H GLU 408 HN GLU 408 5.040 -9.464 21.836 300 HA GLU 408 HA GLU 408 3.810 -8.540 19.305 301 HB2 GLU 408 HB2 GLU 408 6.431 -10.005 19.621 302 HB3 GLU 408 HB1 GLU 408 5.499 -10.063 18.125 303 HG2 GLU 408 HG2 GLU 408 5.586 -7.621 17.938 304 HG3 GLU 408 HG1 GLU 408 6.449 -7.508 19.470 305 H GLN 409 HN GLN 409 2.613 -10.064 18.217 306 HA GLN 409 HA GLN 409 2.277 -12.710 19.513 307 HB2 GLN 409 HB2 GLN 409 -0.158 -12.528 19.092 308 HB3 GLN 409 HB1 GLN 409 0.415 -11.308 20.226 309 HG2 GLN 409 HG2 GLN 409 0.036 -10.814 17.255 310 HG3 GLN 409 HG1 GLN 409 -1.159 -10.410 18.483 311 HE21 GLN 409 HE21 GLN 409 1.207 -8.987 16.676 312 HE22 GLN 409 HE22 GLN 409 1.681 -7.752 17.739 313 H PHE 410 HN PHE 410 1.778 -14.415 18.146 314 HA PHE 410 HA PHE 410 1.264 -14.014 15.340 315 HB2 PHE 410 HB2 PHE 410 3.321 -15.074 14.523 316 HB3 PHE 410 HB1 PHE 410 3.691 -13.588 15.397 317 HD1 PHE 410 HD1 PHE 410 3.818 -17.269 15.499 318 HD2 PHE 410 HD2 PHE 410 4.763 -13.637 17.587 319 HE1 PHE 410 HE1 PHE 410 5.263 -18.543 17.060 320 HE2 PHE 410 HE2 PHE 410 6.208 -14.911 19.148 321 HZ PHE 410 HZ PHE 410 6.459 -17.364 18.884 Start of MODEL 5 1 H1 SER 369 HT1 SER 369 8.179 0.582 -30.321 2 H2 SER 369 HT2 SER 369 9.067 -0.677 -31.035 3 H3 SER 369 HT3 SER 369 7.599 -1.010 -30.247 4 HA SER 369 HA SER 369 7.452 0.923 -32.405 5 HB2 SER 369 HB2 SER 369 7.501 -0.811 -34.138 6 HB3 SER 369 HB1 SER 369 9.047 -0.756 -33.298 7 HG SER 369 HG SER 369 8.633 -2.644 -32.390 8 H ALA 370 HN ALA 370 5.457 1.429 -31.519 9 HA ALA 370 HA ALA 370 3.309 -0.369 -32.169 10 HB1 ALA 370 HB1 ALA 370 2.385 -0.570 -29.917 11 HB2 ALA 370 HB2 ALA 370 3.762 0.313 -29.255 12 HB3 ALA 370 HB3 ALA 370 3.999 -1.279 -29.977 13 H ASP 371 HN ASP 371 1.239 0.617 -31.974 14 HA ASP 371 HA ASP 371 1.200 3.359 -32.644 15 HB2 ASP 371 HB2 ASP 371 -1.049 1.541 -31.720 16 HB3 ASP 371 HB1 ASP 371 -1.281 3.178 -32.319 17 H ASP 372 HN ASP 372 0.507 1.669 -29.605 18 HA ASP 372 HA ASP 372 -0.057 4.163 -28.206 19 HB2 ASP 372 HB2 ASP 372 -1.316 2.111 -27.659 20 HB3 ASP 372 HB1 ASP 372 0.186 1.332 -27.162 21 H ASP 373 HN ASP 373 1.611 5.420 -27.669 22 HA ASP 373 HA ASP 373 4.294 4.526 -27.433 23 HB2 ASP 373 HB2 ASP 373 3.652 6.859 -27.993 24 HB3 ASP 373 HB1 ASP 373 3.050 7.063 -26.349 25 H ASN 374 HN ASN 374 5.463 3.862 -25.705 26 HA ASN 374 HA ASN 374 4.495 4.240 -22.988 27 HB2 ASN 374 HB2 ASN 374 4.515 1.812 -22.479 28 HB3 ASN 374 HB1 ASN 374 3.257 2.239 -23.636 29 HD21 ASN 374 HD21 ASN 374 3.577 -0.240 -24.088 30 HD22 ASN 374 HD22 ASN 374 4.729 -0.638 -25.269 31 H PHE 375 HN PHE 375 6.081 3.268 -21.400 32 HA PHE 375 HA PHE 375 8.775 2.846 -22.470 33 HB2 PHE 375 HB2 PHE 375 8.428 5.326 -22.047 34 HB3 PHE 375 HB1 PHE 375 8.253 4.924 -20.338 35 HD1 PHE 375 HD1 PHE 375 10.565 4.811 -23.238 36 HD2 PHE 375 HD2 PHE 375 10.142 4.323 -18.992 37 HE1 PHE 375 HE1 PHE 375 13.031 4.728 -23.003 38 HE2 PHE 375 HE2 PHE 375 12.609 4.240 -18.756 39 HZ PHE 375 HZ PHE 375 14.054 4.443 -20.763 40 H LEU 376 HN LEU 376 9.579 1.128 -21.466 41 HA LEU 376 HA LEU 376 8.362 0.005 -19.130 42 HB2 LEU 376 HB2 LEU 376 10.798 -0.675 -20.776 43 HB3 LEU 376 HB1 LEU 376 10.434 -1.539 -19.282 44 HG LEU 376 HG LEU 376 8.195 -2.115 -20.167 45 HD11 LEU 376 HD11 LEU 376 7.666 -0.364 -21.664 46 HD12 LEU 376 HD12 LEU 376 7.952 -1.744 -22.721 47 HD13 LEU 376 HD13 LEU 376 9.199 -0.513 -22.522 48 HD21 LEU 376 HD21 LEU 376 9.014 -3.659 -21.986 49 HD22 LEU 376 HD22 LEU 376 9.981 -3.719 -20.513 50 HD23 LEU 376 HD23 LEU 376 10.569 -2.831 -21.917 51 H VAL 377 HN VAL 377 9.035 0.038 -17.040 52 HA VAL 377 HA VAL 377 10.094 0.772 -15.147 53 HB VAL 377 HB VAL 377 12.536 1.257 -16.852 54 HG11 VAL 377 HG11 VAL 377 12.100 0.354 -13.987 55 HG12 VAL 377 HG12 VAL 377 12.662 1.945 -14.499 56 HG13 VAL 377 HG13 VAL 377 13.674 0.525 -14.765 57 HG21 VAL 377 HG21 VAL 377 13.029 -1.203 -16.245 58 HG22 VAL 377 HG22 VAL 377 11.857 -0.920 -17.531 59 HG23 VAL 377 HG23 VAL 377 11.302 -1.341 -15.910 60 HA PRO 378 HA PRO 378 9.629 5.155 -16.839 61 HB2 PRO 378 HB2 PRO 378 7.202 5.700 -15.641 62 HB3 PRO 378 HB1 PRO 378 7.373 5.064 -17.286 63 HG2 PRO 378 HG2 PRO 378 6.683 3.634 -14.767 64 HG3 PRO 378 HG1 PRO 378 6.083 3.376 -16.413 65 HD2 PRO 378 HD2 PRO 378 7.986 1.770 -15.237 66 HD3 PRO 378 HD1 PRO 378 7.867 2.014 -16.993 67 H ILE 379 HN ILE 379 9.666 7.133 -15.576 68 HA ILE 379 HA ILE 379 11.121 6.876 -13.159 69 HB ILE 379 HB ILE 379 9.701 9.327 -14.218 70 HG12 ILE 379 HG12 ILE 379 11.153 8.387 -15.940 71 HG13 ILE 379 HG11 ILE 379 11.899 9.836 -15.275 72 HG21 ILE 379 HG21 ILE 379 11.504 10.508 -12.959 73 HG22 ILE 379 HG22 ILE 379 12.033 8.952 -12.319 74 HG23 ILE 379 HG23 ILE 379 10.436 9.577 -11.909 75 HD11 ILE 379 HD11 ILE 379 12.697 6.958 -14.914 76 HD12 ILE 379 HD12 ILE 379 13.103 8.124 -13.658 77 HD13 ILE 379 HD13 ILE 379 13.701 8.352 -15.294 78 H ALA 380 HN ALA 380 7.745 7.696 -13.864 79 HA ALA 380 HA ALA 380 6.764 8.500 -11.465 80 HB1 ALA 380 HB1 ALA 380 5.567 6.664 -13.538 81 HB2 ALA 380 HB2 ALA 380 5.158 8.334 -13.164 82 HB3 ALA 380 HB3 ALA 380 4.682 7.045 -12.061 83 H VAL 381 HN VAL 381 8.250 5.455 -12.110 84 HA VAL 381 HA VAL 381 7.054 3.915 -10.045 85 HB VAL 381 HB VAL 381 9.670 3.693 -11.540 86 HG11 VAL 381 HG11 VAL 381 10.198 2.669 -9.470 87 HG12 VAL 381 HG12 VAL 381 9.676 1.332 -10.495 88 HG13 VAL 381 HG13 VAL 381 8.576 2.003 -9.289 89 HG21 VAL 381 HG21 VAL 381 8.586 1.977 -12.754 90 HG22 VAL 381 HG22 VAL 381 7.338 3.206 -12.579 91 HG23 VAL 381 HG23 VAL 381 7.323 1.788 -11.538 92 H GLY 382 HN GLY 382 9.970 5.945 -10.174 93 HA2 GLY 382 HA2 GLY 382 10.912 5.366 -7.584 94 HA3 GLY 382 HA1 GLY 382 11.278 6.826 -8.500 95 H ALA 383 HN ALA 383 8.664 7.839 -8.766 96 HA ALA 383 HA ALA 383 8.379 9.246 -6.334 97 HB1 ALA 383 HB1 ALA 383 6.159 9.956 -7.355 98 HB2 ALA 383 HB2 ALA 383 6.562 8.920 -8.724 99 HB3 ALA 383 HB3 ALA 383 7.594 10.294 -8.324 100 H ALA 384 HN ALA 384 6.680 6.459 -7.690 101 HA ALA 384 HA ALA 384 4.673 6.279 -5.700 102 HB1 ALA 384 HB1 ALA 384 5.866 4.247 -7.587 103 HB2 ALA 384 HB2 ALA 384 4.319 5.081 -7.728 104 HB3 ALA 384 HB3 ALA 384 4.551 3.859 -6.477 105 H LEU 385 HN LEU 385 7.950 5.002 -5.941 106 HA LEU 385 HA LEU 385 7.826 3.201 -3.776 107 HB2 LEU 385 HB2 LEU 385 9.686 3.669 -5.616 108 HB3 LEU 385 HB1 LEU 385 10.360 4.712 -4.368 109 HG LEU 385 HG LEU 385 9.704 1.765 -4.077 110 HD11 LEU 385 HD11 LEU 385 11.718 2.302 -5.452 111 HD12 LEU 385 HD12 LEU 385 12.111 1.438 -3.967 112 HD13 LEU 385 HD13 LEU 385 12.388 3.177 -4.074 113 HD21 LEU 385 HD21 LEU 385 10.598 3.865 -2.109 114 HD22 LEU 385 HD22 LEU 385 11.093 2.188 -1.886 115 HD23 LEU 385 HD23 LEU 385 9.384 2.600 -1.915 116 H ALA 386 HN ALA 386 8.735 6.640 -3.922 117 HA ALA 386 HA ALA 386 9.431 6.922 -1.203 118 HB1 ALA 386 HB1 ALA 386 9.162 9.323 -1.577 119 HB2 ALA 386 HB2 ALA 386 8.294 9.008 -3.079 120 HB3 ALA 386 HB3 ALA 386 10.001 8.582 -2.939 121 H GLY 387 HN GLY 387 6.348 7.153 -2.896 122 HA2 GLY 387 HA2 GLY 387 4.807 8.248 -0.805 123 HA3 GLY 387 HA1 GLY 387 4.183 7.268 -2.129 124 H VAL 388 HN VAL 388 5.700 4.919 -1.588 125 HA VAL 388 HA VAL 388 4.010 3.642 0.292 126 HB VAL 388 HB VAL 388 6.642 2.740 -0.898 127 HG11 VAL 388 HG11 VAL 388 4.538 1.337 0.763 128 HG12 VAL 388 HG12 VAL 388 6.279 1.411 1.044 129 HG13 VAL 388 HG13 VAL 388 5.642 0.450 -0.291 130 HG21 VAL 388 HG21 VAL 388 4.622 3.258 -2.417 131 HG22 VAL 388 HG22 VAL 388 3.837 1.884 -1.640 132 HG23 VAL 388 HG23 VAL 388 5.327 1.647 -2.555 133 H LEU 389 HN LEU 389 7.338 4.811 0.457 134 HA LEU 389 HA LEU 389 7.978 3.807 2.995 135 HB2 LEU 389 HB2 LEU 389 9.589 4.832 1.353 136 HB3 LEU 389 HB1 LEU 389 8.958 6.408 1.787 137 HG LEU 389 HG LEU 389 9.533 5.188 4.277 138 HD11 LEU 389 HD11 LEU 389 11.753 4.331 4.148 139 HD12 LEU 389 HD12 LEU 389 11.935 4.837 2.469 140 HD13 LEU 389 HD13 LEU 389 10.854 3.506 2.875 141 HD21 LEU 389 HD21 LEU 389 11.351 6.871 4.396 142 HD22 LEU 389 HD22 LEU 389 9.869 7.568 3.745 143 HD23 LEU 389 HD23 LEU 389 11.197 7.154 2.661 144 H ILE 390 HN ILE 390 6.277 6.748 2.004 145 HA ILE 390 HA ILE 390 6.248 7.991 4.546 146 HB ILE 390 HB ILE 390 4.412 8.231 2.162 147 HG12 ILE 390 HG12 ILE 390 6.752 8.951 1.832 148 HG13 ILE 390 HG11 ILE 390 5.642 10.311 1.763 149 HG21 ILE 390 HG21 ILE 390 3.755 10.424 3.290 150 HG22 ILE 390 HG22 ILE 390 4.452 9.758 4.766 151 HG23 ILE 390 HG23 ILE 390 3.084 8.953 3.995 152 HD11 ILE 390 HD11 ILE 390 7.195 11.247 3.172 153 HD12 ILE 390 HD12 ILE 390 7.760 9.691 3.765 154 HD13 ILE 390 HD13 ILE 390 6.287 10.392 4.409 155 H LEU 391 HN LEU 391 4.012 5.778 2.931 156 HA LEU 391 HA LEU 391 1.984 5.827 4.875 157 HB2 LEU 391 HB2 LEU 391 2.846 3.850 2.781 158 HB3 LEU 391 HB1 LEU 391 1.547 3.438 3.899 159 HG LEU 391 HG LEU 391 1.440 6.093 2.474 160 HD11 LEU 391 HD11 LEU 391 0.672 3.412 1.278 161 HD12 LEU 391 HD12 LEU 391 1.875 4.539 0.651 162 HD13 LEU 391 HD13 LEU 391 0.166 4.972 0.631 163 HD21 LEU 391 HD21 LEU 391 -0.783 4.139 3.100 164 HD22 LEU 391 HD22 LEU 391 -0.902 5.875 2.818 165 HD23 LEU 391 HD23 LEU 391 -0.183 5.275 4.306 166 H VAL 392 HN VAL 392 4.861 3.800 4.544 167 HA VAL 392 HA VAL 392 4.317 2.067 6.709 168 HB VAL 392 HB VAL 392 6.948 2.882 5.457 169 HG11 VAL 392 HG11 VAL 392 7.666 0.647 6.504 170 HG12 VAL 392 HG12 VAL 392 6.218 0.777 7.503 171 HG13 VAL 392 HG13 VAL 392 7.477 2.007 7.611 172 HG21 VAL 392 HG21 VAL 392 5.157 1.707 4.055 173 HG22 VAL 392 HG22 VAL 392 5.360 0.326 5.133 174 HG23 VAL 392 HG23 VAL 392 6.715 0.887 4.153 175 H LEU 393 HN LEU 393 6.053 5.134 6.480 176 HA LEU 393 HA LEU 393 7.100 5.167 9.101 177 HB2 LEU 393 HB2 LEU 393 6.524 7.236 7.013 178 HB3 LEU 393 HB1 LEU 393 6.884 7.794 8.642 179 HG LEU 393 HG LEU 393 8.706 5.744 7.383 180 HD11 LEU 393 HD11 LEU 393 10.073 7.599 6.447 181 HD12 LEU 393 HD12 LEU 393 8.781 8.732 6.850 182 HD13 LEU 393 HD13 LEU 393 8.503 7.468 5.652 183 HD21 LEU 393 HD21 LEU 393 8.826 6.580 9.806 184 HD22 LEU 393 HD22 LEU 393 9.345 8.124 9.135 185 HD23 LEU 393 HD23 LEU 393 10.317 6.675 8.870 186 H LEU 394 HN LEU 394 4.012 6.279 7.785 187 HA LEU 394 HA LEU 394 3.072 7.537 10.122 188 HB2 LEU 394 HB2 LEU 394 2.022 7.808 7.928 189 HB3 LEU 394 HB1 LEU 394 1.534 6.119 7.948 190 HG LEU 394 HG LEU 394 0.695 7.622 10.356 191 HD11 LEU 394 HD11 LEU 394 -1.210 8.728 9.162 192 HD12 LEU 394 HD12 LEU 394 -0.412 8.355 7.633 193 HD13 LEU 394 HD13 LEU 394 0.363 9.434 8.793 194 HD21 LEU 394 HD21 LEU 394 -0.003 5.255 9.567 195 HD22 LEU 394 HD22 LEU 394 -1.040 6.088 8.411 196 HD23 LEU 394 HD23 LEU 394 -1.281 6.326 10.143 197 H ALA 395 HN ALA 395 2.811 4.194 8.964 198 HA ALA 395 HA ALA 395 1.157 3.231 11.038 199 HB1 ALA 395 HB1 ALA 395 1.731 1.048 10.278 200 HB2 ALA 395 HB2 ALA 395 3.251 1.613 9.586 201 HB3 ALA 395 HB3 ALA 395 1.719 2.074 8.843 202 H TYR 396 HN TYR 396 4.648 3.620 10.771 203 HA TYR 396 HA TYR 396 5.411 2.115 13.026 204 HB2 TYR 396 HB2 TYR 396 6.643 4.325 11.416 205 HB3 TYR 396 HB1 TYR 396 7.375 3.936 12.972 206 HD1 TYR 396 HD1 TYR 396 5.691 1.640 10.541 207 HD2 TYR 396 HD2 TYR 396 9.376 2.821 12.407 208 HE1 TYR 396 HE1 TYR 396 6.824 -0.321 9.543 209 HE2 TYR 396 HE2 TYR 396 10.509 0.856 11.406 210 HH TYR 396 HH TYR 396 9.261 -0.901 8.902 211 H PHE 397 HN PHE 397 4.488 5.514 12.691 212 HA PHE 397 HA PHE 397 5.026 6.286 15.346 213 HB2 PHE 397 HB2 PHE 397 3.252 7.371 13.164 214 HB3 PHE 397 HB1 PHE 397 3.152 8.057 14.785 215 HD1 PHE 397 HD2 PHE 397 5.588 8.464 15.900 216 HD2 PHE 397 HD1 PHE 397 4.747 8.445 11.683 217 HE1 PHE 397 HE2 PHE 397 7.626 9.804 15.481 218 HE2 PHE 397 HE1 PHE 397 6.791 9.781 11.271 219 HZ PHE 397 HZ PHE 397 8.230 10.462 13.170 220 H ILE 398 HN ILE 398 2.058 5.088 13.813 221 HA ILE 398 HA ILE 398 0.495 5.206 16.187 222 HB ILE 398 HB ILE 398 0.040 3.475 13.745 223 HG12 ILE 398 HG12 ILE 398 0.312 5.808 13.089 224 HG13 ILE 398 HG11 ILE 398 -1.384 5.360 12.980 225 HG21 ILE 398 HG21 ILE 398 -2.337 3.674 14.460 226 HG22 ILE 398 HG22 ILE 398 -1.796 4.492 15.926 227 HG23 ILE 398 HG23 ILE 398 -1.338 2.815 15.631 228 HD11 ILE 398 HD11 ILE 398 -1.508 7.421 14.067 229 HD12 ILE 398 HD12 ILE 398 -0.021 7.153 14.971 230 HD13 ILE 398 HD13 ILE 398 -1.498 6.319 15.439 231 H GLY 399 HN GLY 399 2.388 2.640 14.638 232 HA2 GLY 399 HA2 GLY 399 1.607 0.541 16.355 233 HA3 GLY 399 HA1 GLY 399 3.093 0.603 15.412 234 H LEU 400 HN LEU 400 4.000 3.091 16.629 235 HA LEU 400 HA LEU 400 5.505 1.993 18.743 236 HB2 LEU 400 HB2 LEU 400 5.809 4.182 17.213 237 HB3 LEU 400 HB1 LEU 400 5.105 4.961 18.618 238 HG LEU 400 HG LEU 400 7.510 4.991 18.869 239 HD11 LEU 400 HD11 LEU 400 7.669 4.106 21.044 240 HD12 LEU 400 HD12 LEU 400 6.625 2.740 20.672 241 HD13 LEU 400 HD13 LEU 400 5.938 4.358 20.835 242 HD21 LEU 400 HD21 LEU 400 8.910 3.273 18.297 243 HD22 LEU 400 HD22 LEU 400 7.531 2.645 17.406 244 HD23 LEU 400 HD23 LEU 400 7.880 2.041 19.021 245 H LYS 401 HN LYS 401 2.608 4.035 18.721 246 HA LYS 401 HA LYS 401 2.461 4.486 21.489 247 HB2 LYS 401 HB2 LYS 401 0.297 4.322 19.385 248 HB3 LYS 401 HB1 LYS 401 0.016 4.857 21.043 249 HG2 LYS 401 HG2 LYS 401 1.671 6.658 20.753 250 HG3 LYS 401 HG1 LYS 401 1.977 6.118 19.102 251 HD2 LYS 401 HD2 LYS 401 -0.407 6.528 18.543 252 HD3 LYS 401 HD1 LYS 401 -0.672 7.125 20.182 253 HE2 LYS 401 HE2 LYS 401 1.361 8.302 18.269 254 HE3 LYS 401 HE1 LYS 401 -0.265 8.945 18.492 255 HZ1 LYS 401 HZ1 LYS 401 1.627 8.551 20.736 256 HZ2 LYS 401 HZ2 LYS 401 0.180 9.441 20.734 257 HZ3 LYS 401 HZ3 LYS 401 1.528 10.004 19.867 258 H HIS 402 HN HIS 402 1.220 1.850 19.479 259 HA HIS 402 HA HIS 402 0.042 0.496 21.772 260 HB2 HIS 402 HB2 HIS 402 0.323 -0.327 18.873 261 HB3 HIS 402 HB1 HIS 402 -0.559 -1.234 20.102 262 HD1 HIS 402 HD1 HIS 402 -2.545 0.210 21.329 263 HD2 HIS 402 HD2 HIS 402 -1.202 1.634 17.650 264 HE1 HIS 402 HE1 HIS 402 -4.327 1.800 20.484 265 HE2 HIS 402 HE2 HIS 402 -3.522 2.677 18.240 266 H HIS 403 HN HIS 403 0.844 -1.302 22.771 267 HA HIS 403 HA HIS 403 3.667 -1.746 22.642 268 HB2 HIS 403 HB2 HIS 403 1.486 -3.305 24.050 269 HB3 HIS 403 HB1 HIS 403 3.217 -3.522 24.307 270 HD1 HIS 403 HD1 HIS 403 4.524 -1.304 25.179 271 HD2 HIS 403 HD2 HIS 403 0.372 -1.257 25.561 272 HE1 HIS 403 HE1 HIS 403 3.976 0.541 26.827 273 HE2 HIS 403 HE2 HIS 403 1.449 0.582 27.071 274 H HIS 404 HN HIS 404 4.808 -3.402 21.732 275 HA HIS 404 HA HIS 404 3.566 -4.822 19.558 276 HB2 HIS 404 HB2 HIS 404 6.357 -4.874 20.720 277 HB3 HIS 404 HB1 HIS 404 5.868 -5.844 19.331 278 HD1 HIS 404 HD1 HIS 404 6.275 -2.243 20.419 279 HD2 HIS 404 HD2 HIS 404 5.634 -4.418 16.919 280 HE1 HIS 404 HE1 HIS 404 6.525 -0.607 18.502 281 HE2 HIS 404 HE2 HIS 404 6.138 -1.917 16.362 282 H ALA 405 HN ALA 405 3.138 -6.996 19.384 283 HA ALA 405 HA ALA 405 2.616 -8.401 21.846 284 HB1 ALA 405 HB1 ALA 405 2.440 -9.472 19.024 285 HB2 ALA 405 HB2 ALA 405 1.166 -8.521 19.785 286 HB3 ALA 405 HB3 ALA 405 1.617 -10.087 20.457 287 H GLY 406 HN GLY 406 5.290 -8.097 19.793 288 HA2 GLY 406 HA2 GLY 406 6.414 -10.685 19.904 289 HA3 GLY 406 HA1 GLY 406 7.309 -9.191 19.647 290 H TYR 407 HN TYR 407 6.568 -7.927 22.109 291 HA TYR 407 HA TYR 407 8.087 -9.586 24.053 292 HB2 TYR 407 HB2 TYR 407 7.973 -6.579 23.716 293 HB3 TYR 407 HB1 TYR 407 8.765 -7.403 25.060 294 HD1 TYR 407 HD2 TYR 407 10.574 -9.146 24.504 295 HD2 TYR 407 HD1 TYR 407 9.107 -6.278 21.659 296 HE1 TYR 407 HE2 TYR 407 12.597 -9.491 23.113 297 HE2 TYR 407 HE1 TYR 407 11.132 -6.626 20.269 298 HH TYR 407 HH TYR 407 13.644 -8.969 21.231 299 H GLU 408 HN GLU 408 7.256 -9.907 26.042 300 HA GLU 408 HA GLU 408 4.474 -9.153 26.490 301 HB2 GLU 408 HB2 GLU 408 5.295 -11.458 26.957 302 HB3 GLU 408 HB1 GLU 408 6.339 -10.796 28.214 303 HG2 GLU 408 HG2 GLU 408 4.387 -9.918 29.412 304 HG3 GLU 408 HG1 GLU 408 3.322 -10.515 28.141 305 H GLN 409 HN GLN 409 4.000 -7.280 27.438 306 HA GLN 409 HA GLN 409 5.722 -6.318 29.662 307 HB2 GLN 409 HB2 GLN 409 4.400 -4.521 27.601 308 HB3 GLN 409 HB1 GLN 409 5.531 -4.053 28.869 309 HG2 GLN 409 HG2 GLN 409 6.144 -5.783 26.443 310 HG3 GLN 409 HG1 GLN 409 6.738 -4.154 26.760 311 HE21 GLN 409 HE21 GLN 409 7.963 -7.128 26.704 312 HE22 GLN 409 HE22 GLN 409 9.009 -7.079 28.040 313 H PHE 410 HN PHE 410 4.651 -5.834 31.454 314 HA PHE 410 HA PHE 410 1.990 -6.486 31.889 315 HB2 PHE 410 HB2 PHE 410 3.582 -6.203 33.716 316 HB3 PHE 410 HB1 PHE 410 3.702 -4.477 33.373 317 HD1 PHE 410 HD1 PHE 410 1.224 -7.146 34.236 318 HD2 PHE 410 HD2 PHE 410 2.198 -2.964 34.380 319 HE1 PHE 410 HE1 PHE 410 -0.765 -6.730 35.657 320 HE2 PHE 410 HE2 PHE 410 0.208 -2.550 35.803 321 HZ PHE 410 HZ PHE 410 -1.273 -4.434 36.441 Start of MODEL 6 1 H1 SER 369 HT1 SER 369 4.820 -0.156 -13.988 2 H2 SER 369 HT2 SER 369 3.300 -0.473 -13.297 3 H3 SER 369 HT3 SER 369 4.301 0.732 -12.639 4 HA SER 369 HA SER 369 2.537 1.742 -13.918 5 HB2 SER 369 HB2 SER 369 5.302 1.876 -15.146 6 HB3 SER 369 HB1 SER 369 4.003 2.997 -15.541 7 HG SER 369 HG SER 369 4.900 4.002 -13.883 8 H ALA 370 HN ALA 370 4.192 -0.900 -15.431 9 HA ALA 370 HA ALA 370 2.031 -1.198 -17.358 10 HB1 ALA 370 HB1 ALA 370 3.428 0.211 -18.680 11 HB2 ALA 370 HB2 ALA 370 3.702 -1.434 -19.253 12 HB3 ALA 370 HB3 ALA 370 4.882 -0.660 -18.194 13 H ASP 371 HN ASP 371 1.950 -3.277 -18.293 14 HA ASP 371 HA ASP 371 2.787 -5.383 -16.605 15 HB2 ASP 371 HB2 ASP 371 1.814 -5.446 -19.480 16 HB3 ASP 371 HB1 ASP 371 2.102 -6.882 -18.501 17 H ASP 372 HN ASP 372 4.091 -4.165 -19.670 18 HA ASP 372 HA ASP 372 6.330 -6.064 -19.544 19 HB2 ASP 372 HB2 ASP 372 5.091 -5.575 -21.692 20 HB3 ASP 372 HB1 ASP 372 5.780 -3.953 -21.636 21 H ASP 373 HN ASP 373 7.941 -5.475 -18.230 22 HA ASP 373 HA ASP 373 8.603 -2.647 -17.835 23 HB2 ASP 373 HB2 ASP 373 10.193 -3.543 -16.142 24 HB3 ASP 373 HB1 ASP 373 8.528 -4.046 -15.854 25 H ASN 374 HN ASN 374 9.330 -4.901 -20.092 26 HA ASN 374 HA ASN 374 12.174 -4.633 -20.284 27 HB2 ASN 374 HB2 ASN 374 10.667 -6.491 -21.258 28 HB3 ASN 374 HB1 ASN 374 10.350 -5.362 -22.573 29 HD21 ASN 374 HD21 ASN 374 11.531 -6.723 -24.113 30 HD22 ASN 374 HD22 ASN 374 13.224 -6.824 -24.071 31 H PHE 375 HN PHE 375 13.369 -3.121 -21.301 32 HA PHE 375 HA PHE 375 13.884 -1.110 -22.292 33 HB2 PHE 375 HB2 PHE 375 11.695 -2.095 -24.135 34 HB3 PHE 375 HB1 PHE 375 12.735 -0.716 -24.487 35 HD1 PHE 375 HD2 PHE 375 15.255 -1.065 -24.552 36 HD2 PHE 375 HD1 PHE 375 12.449 -4.317 -24.503 37 HE1 PHE 375 HE2 PHE 375 17.016 -2.598 -25.388 38 HE2 PHE 375 HE1 PHE 375 14.210 -5.850 -25.339 39 HZ PHE 375 HZ PHE 375 16.494 -4.990 -25.781 40 H LEU 376 HN LEU 376 11.383 -1.397 -20.397 41 HA LEU 376 HA LEU 376 10.458 1.389 -20.809 42 HB2 LEU 376 HB2 LEU 376 8.747 -1.034 -20.207 43 HB3 LEU 376 HB1 LEU 376 8.181 0.629 -20.059 44 HG LEU 376 HG LEU 376 9.330 -0.542 -22.614 45 HD11 LEU 376 HD11 LEU 376 7.284 -1.731 -22.066 46 HD12 LEU 376 HD12 LEU 376 6.951 -0.601 -23.378 47 HD13 LEU 376 HD13 LEU 376 6.450 -0.214 -21.732 48 HD21 LEU 376 HD21 LEU 376 9.503 1.770 -22.872 49 HD22 LEU 376 HD22 LEU 376 8.118 2.105 -21.836 50 HD23 LEU 376 HD23 LEU 376 7.870 1.506 -23.475 51 H VAL 377 HN VAL 377 10.405 2.609 -19.020 52 HA VAL 377 HA VAL 377 10.080 1.578 -16.381 53 HB VAL 377 HB VAL 377 12.362 0.784 -16.757 54 HG11 VAL 377 HG11 VAL 377 13.486 3.558 -16.890 55 HG12 VAL 377 HG12 VAL 377 12.752 2.933 -18.366 56 HG13 VAL 377 HG13 VAL 377 14.084 2.066 -17.609 57 HG21 VAL 377 HG21 VAL 377 13.284 1.624 -14.736 58 HG22 VAL 377 HG22 VAL 377 11.541 1.775 -14.527 59 HG23 VAL 377 HG23 VAL 377 12.507 3.193 -14.936 60 HA PRO 378 HA PRO 378 9.135 6.074 -17.142 61 HB2 PRO 378 HB2 PRO 378 6.873 5.363 -15.327 62 HB3 PRO 378 HB1 PRO 378 6.843 6.225 -16.880 63 HG2 PRO 378 HG2 PRO 378 5.969 3.710 -16.670 64 HG3 PRO 378 HG1 PRO 378 6.833 4.271 -18.114 65 HD2 PRO 378 HD2 PRO 378 7.856 2.593 -15.837 66 HD3 PRO 378 HD1 PRO 378 8.196 2.456 -17.579 67 H ILE 379 HN ILE 379 9.576 7.782 -15.767 68 HA ILE 379 HA ILE 379 11.037 7.239 -13.393 69 HB ILE 379 HB ILE 379 9.834 9.868 -14.278 70 HG12 ILE 379 HG12 ILE 379 11.180 8.928 -16.085 71 HG13 ILE 379 HG11 ILE 379 12.066 10.250 -15.330 72 HG21 ILE 379 HG21 ILE 379 10.610 9.953 -11.989 73 HG22 ILE 379 HG22 ILE 379 11.793 10.784 -13.000 74 HG23 ILE 379 HG23 ILE 379 12.119 9.149 -12.424 75 HD11 ILE 379 HD11 ILE 379 13.124 8.347 -13.854 76 HD12 ILE 379 HD12 ILE 379 13.706 8.587 -15.498 77 HD13 ILE 379 HD13 ILE 379 12.571 7.289 -15.149 78 H ALA 380 HN ALA 380 7.753 8.452 -13.967 79 HA ALA 380 HA ALA 380 6.929 9.152 -11.471 80 HB1 ALA 380 HB1 ALA 380 5.467 7.701 -13.673 81 HB2 ALA 380 HB2 ALA 380 5.296 9.368 -13.134 82 HB3 ALA 380 HB3 ALA 380 4.665 8.056 -12.141 83 H VAL 381 HN VAL 381 8.007 6.017 -12.430 84 HA VAL 381 HA VAL 381 6.635 4.461 -10.482 85 HB VAL 381 HB VAL 381 9.199 4.009 -12.024 86 HG11 VAL 381 HG11 VAL 381 8.873 1.596 -11.217 87 HG12 VAL 381 HG12 VAL 381 7.815 2.266 -9.975 88 HG13 VAL 381 HG13 VAL 381 9.513 2.734 -10.033 89 HG21 VAL 381 HG21 VAL 381 7.881 2.581 -13.383 90 HG22 VAL 381 HG22 VAL 381 6.844 3.979 -13.113 91 HG23 VAL 381 HG23 VAL 381 6.583 2.500 -12.193 92 H GLY 382 HN GLY 382 9.792 6.105 -10.488 93 HA2 GLY 382 HA2 GLY 382 10.664 5.181 -7.964 94 HA3 GLY 382 HA1 GLY 382 11.237 6.636 -8.776 95 H ALA 383 HN ALA 383 8.731 7.995 -8.921 96 HA ALA 383 HA ALA 383 8.704 9.285 -6.407 97 HB1 ALA 383 HB1 ALA 383 6.654 9.310 -8.636 98 HB2 ALA 383 HB2 ALA 383 7.991 10.442 -8.430 99 HB3 ALA 383 HB3 ALA 383 6.665 10.420 -7.267 100 H ALA 384 HN ALA 384 6.638 6.804 -7.840 101 HA ALA 384 HA ALA 384 4.685 6.739 -5.788 102 HB1 ALA 384 HB1 ALA 384 4.049 4.577 -6.736 103 HB2 ALA 384 HB2 ALA 384 5.557 4.514 -7.647 104 HB3 ALA 384 HB3 ALA 384 4.348 5.741 -8.026 105 H LEU 385 HN LEU 385 7.770 5.081 -6.224 106 HA LEU 385 HA LEU 385 7.510 3.190 -4.153 107 HB2 LEU 385 HB2 LEU 385 9.327 3.513 -6.046 108 HB3 LEU 385 HB1 LEU 385 10.167 4.449 -4.813 109 HG LEU 385 HG LEU 385 9.238 1.574 -4.542 110 HD11 LEU 385 HD11 LEU 385 11.197 1.935 -6.039 111 HD12 LEU 385 HD12 LEU 385 11.613 1.024 -4.587 112 HD13 LEU 385 HD13 LEU 385 12.034 2.733 -4.707 113 HD21 LEU 385 HD21 LEU 385 10.451 3.533 -2.598 114 HD22 LEU 385 HD22 LEU 385 10.828 1.817 -2.445 115 HD23 LEU 385 HD23 LEU 385 9.159 2.360 -2.340 116 H ALA 386 HN ALA 386 8.794 6.512 -4.162 117 HA ALA 386 HA ALA 386 9.622 6.559 -1.459 118 HB1 ALA 386 HB1 ALA 386 8.819 8.746 -3.378 119 HB2 ALA 386 HB2 ALA 386 10.447 8.270 -2.893 120 HB3 ALA 386 HB3 ALA 386 9.382 9.077 -1.740 121 H GLY 387 HN GLY 387 6.534 7.268 -3.015 122 HA2 GLY 387 HA2 GLY 387 5.223 8.399 -0.782 123 HA3 GLY 387 HA1 GLY 387 4.432 7.635 -2.157 124 H VAL 388 HN VAL 388 5.541 5.053 -1.909 125 HA VAL 388 HA VAL 388 3.768 3.887 -0.038 126 HB VAL 388 HB VAL 388 6.149 2.696 -1.475 127 HG11 VAL 388 HG11 VAL 388 3.952 1.480 0.213 128 HG12 VAL 388 HG12 VAL 388 5.696 1.276 0.387 129 HG13 VAL 388 HG13 VAL 388 4.855 0.537 -0.975 130 HG21 VAL 388 HG21 VAL 388 3.203 2.344 -2.067 131 HG22 VAL 388 HG22 VAL 388 4.576 1.949 -3.100 132 HG23 VAL 388 HG23 VAL 388 4.153 3.634 -2.803 133 H LEU 389 HN LEU 389 7.263 4.478 0.037 134 HA LEU 389 HA LEU 389 7.809 3.158 2.457 135 HB2 LEU 389 HB2 LEU 389 9.561 3.850 0.899 136 HB3 LEU 389 HB1 LEU 389 9.215 5.546 1.219 137 HG LEU 389 HG LEU 389 9.758 3.892 3.653 138 HD11 LEU 389 HD11 LEU 389 11.410 2.941 2.084 139 HD12 LEU 389 HD12 LEU 389 12.199 3.918 3.321 140 HD13 LEU 389 HD13 LEU 389 11.977 4.564 1.695 141 HD21 LEU 389 HD21 LEU 389 10.859 5.875 4.404 142 HD22 LEU 389 HD22 LEU 389 9.453 6.445 3.509 143 HD23 LEU 389 HD23 LEU 389 11.046 6.486 2.760 144 H ILE 390 HN ILE 390 6.655 6.436 1.795 145 HA ILE 390 HA ILE 390 6.940 7.454 4.418 146 HB ILE 390 HB ILE 390 5.056 8.179 2.164 147 HG12 ILE 390 HG12 ILE 390 7.656 8.514 2.050 148 HG13 ILE 390 HG11 ILE 390 6.601 9.841 1.580 149 HG21 ILE 390 HG21 ILE 390 3.925 8.984 4.066 150 HG22 ILE 390 HG22 ILE 390 4.870 10.372 3.528 151 HG23 ILE 390 HG23 ILE 390 5.424 9.405 4.894 152 HD11 ILE 390 HD11 ILE 390 7.557 9.638 4.432 153 HD12 ILE 390 HD12 ILE 390 7.042 11.059 3.529 154 HD13 ILE 390 HD13 ILE 390 8.606 10.320 3.192 155 H LEU 391 HN LEU 391 4.293 5.766 2.780 156 HA LEU 391 HA LEU 391 2.363 5.988 4.807 157 HB2 LEU 391 HB2 LEU 391 2.835 4.033 2.569 158 HB3 LEU 391 HB1 LEU 391 1.530 3.750 3.720 159 HG LEU 391 HG LEU 391 1.772 6.471 2.436 160 HD11 LEU 391 HD11 LEU 391 0.151 5.563 0.665 161 HD12 LEU 391 HD12 LEU 391 0.692 3.955 1.148 162 HD13 LEU 391 HD13 LEU 391 1.844 5.111 0.479 163 HD21 LEU 391 HD21 LEU 391 -0.685 6.403 2.708 164 HD22 LEU 391 HD22 LEU 391 0.123 6.087 4.242 165 HD23 LEU 391 HD23 LEU 391 -0.571 4.754 3.320 166 H VAL 392 HN VAL 392 4.930 3.610 4.284 167 HA VAL 392 HA VAL 392 4.205 1.793 6.318 168 HB VAL 392 HB VAL 392 6.919 2.445 5.148 169 HG11 VAL 392 HG11 VAL 392 5.972 0.236 6.986 170 HG12 VAL 392 HG12 VAL 392 7.322 1.343 7.228 171 HG13 VAL 392 HG13 VAL 392 7.424 0.085 5.997 172 HG21 VAL 392 HG21 VAL 392 5.035 1.564 3.647 173 HG22 VAL 392 HG22 VAL 392 5.113 0.080 4.597 174 HG23 VAL 392 HG23 VAL 392 6.518 0.611 3.673 175 H LEU 393 HN LEU 393 6.244 4.684 6.350 176 HA LEU 393 HA LEU 393 7.259 4.420 8.972 177 HB2 LEU 393 HB2 LEU 393 6.898 6.690 7.049 178 HB3 LEU 393 HB1 LEU 393 7.283 7.089 8.720 179 HG LEU 393 HG LEU 393 8.941 4.994 7.306 180 HD11 LEU 393 HD11 LEU 393 10.467 6.786 6.527 181 HD12 LEU 393 HD12 LEU 393 9.298 7.997 7.050 182 HD13 LEU 393 HD13 LEU 393 8.893 6.889 5.740 183 HD21 LEU 393 HD21 LEU 393 9.680 7.151 9.303 184 HD22 LEU 393 HD22 LEU 393 10.641 5.744 8.847 185 HD23 LEU 393 HD23 LEU 393 9.153 5.535 9.772 186 H LEU 394 HN LEU 394 4.287 5.954 7.764 187 HA LEU 394 HA LEU 394 3.457 7.080 10.218 188 HB2 LEU 394 HB2 LEU 394 2.476 7.709 8.062 189 HB3 LEU 394 HB1 LEU 394 1.805 6.092 7.879 190 HG LEU 394 HG LEU 394 1.076 7.434 10.424 191 HD11 LEU 394 HD11 LEU 394 0.902 9.408 9.079 192 HD12 LEU 394 HD12 LEU 394 -0.734 8.772 9.252 193 HD13 LEU 394 HD13 LEU 394 0.159 8.512 7.754 194 HD21 LEU 394 HD21 LEU 394 -1.020 6.368 10.068 195 HD22 LEU 394 HD22 LEU 394 0.166 5.223 9.444 196 HD23 LEU 394 HD23 LEU 394 -0.748 6.237 8.330 197 H ALA 395 HN ALA 395 2.877 3.894 8.757 198 HA ALA 395 HA ALA 395 1.029 2.906 10.614 199 HB1 ALA 395 HB1 ALA 395 3.212 1.338 9.215 200 HB2 ALA 395 HB2 ALA 395 1.666 1.771 8.485 201 HB3 ALA 395 HB3 ALA 395 1.711 0.691 9.878 202 H TYR 396 HN TYR 396 4.580 2.724 10.611 203 HA TYR 396 HA TYR 396 4.820 1.363 13.084 204 HB2 TYR 396 HB2 TYR 396 6.673 1.435 11.496 205 HB3 TYR 396 HB1 TYR 396 6.782 3.187 11.671 206 HD1 TYR 396 HD1 TYR 396 7.009 -0.016 13.580 207 HD2 TYR 396 HD2 TYR 396 8.032 4.154 13.442 208 HE1 TYR 396 HE1 TYR 396 8.469 -0.309 15.562 209 HE2 TYR 396 HE2 TYR 396 9.493 3.860 15.425 210 HH TYR 396 HH TYR 396 10.402 0.792 16.599 211 H PHE 397 HN PHE 397 4.596 4.765 12.209 212 HA PHE 397 HA PHE 397 5.384 5.939 14.618 213 HB2 PHE 397 HB2 PHE 397 4.873 7.124 12.444 214 HB3 PHE 397 HB1 PHE 397 3.162 6.948 12.826 215 HD1 PHE 397 HD2 PHE 397 2.304 7.899 15.051 216 HD2 PHE 397 HD1 PHE 397 6.147 8.866 13.396 217 HE1 PHE 397 HE2 PHE 397 2.424 9.905 16.503 218 HE2 PHE 397 HE1 PHE 397 6.269 10.873 14.849 219 HZ PHE 397 HZ PHE 397 4.406 11.393 16.402 220 H ILE 398 HN ILE 398 2.162 4.808 13.587 221 HA ILE 398 HA ILE 398 0.824 5.572 15.966 222 HB ILE 398 HB ILE 398 0.132 3.492 13.871 223 HG12 ILE 398 HG12 ILE 398 -1.097 6.201 14.430 224 HG13 ILE 398 HG11 ILE 398 0.217 5.972 13.276 225 HG21 ILE 398 HG21 ILE 398 -1.025 2.823 15.857 226 HG22 ILE 398 HG22 ILE 398 -2.189 3.747 14.907 227 HG23 ILE 398 HG23 ILE 398 -1.388 4.495 16.288 228 HD11 ILE 398 HD11 ILE 398 -2.349 4.378 13.149 229 HD12 ILE 398 HD12 ILE 398 -1.108 4.530 11.906 230 HD13 ILE 398 HD13 ILE 398 -2.140 5.906 12.295 231 H GLY 399 HN GLY 399 2.396 2.547 14.956 232 HA2 GLY 399 HA2 GLY 399 1.640 0.974 17.165 233 HA3 GLY 399 HA1 GLY 399 3.041 0.691 16.137 234 H LEU 400 HN LEU 400 4.190 3.343 16.727 235 HA LEU 400 HA LEU 400 5.827 2.626 18.897 236 HB2 LEU 400 HB2 LEU 400 6.542 4.212 17.165 237 HB3 LEU 400 HB1 LEU 400 5.327 5.367 17.701 238 HG LEU 400 HG LEU 400 6.425 5.504 19.913 239 HD11 LEU 400 HD11 LEU 400 7.464 3.446 20.315 240 HD12 LEU 400 HD12 LEU 400 8.845 4.462 19.909 241 HD13 LEU 400 HD13 LEU 400 8.172 3.369 18.701 242 HD21 LEU 400 HD21 LEU 400 8.518 6.621 19.136 243 HD22 LEU 400 HD22 LEU 400 7.105 7.087 18.189 244 HD23 LEU 400 HD23 LEU 400 8.260 5.925 17.536 245 H LYS 401 HN LYS 401 3.010 4.783 18.702 246 HA LYS 401 HA LYS 401 3.138 5.400 21.542 247 HB2 LYS 401 HB2 LYS 401 1.144 6.111 19.380 248 HB3 LYS 401 HB1 LYS 401 1.012 6.642 21.058 249 HG2 LYS 401 HG2 LYS 401 3.206 7.744 20.895 250 HG3 LYS 401 HG1 LYS 401 3.365 7.197 19.225 251 HD2 LYS 401 HD2 LYS 401 1.319 8.462 18.628 252 HD3 LYS 401 HD1 LYS 401 1.204 9.041 20.291 253 HE2 LYS 401 HE2 LYS 401 3.614 9.493 18.509 254 HE3 LYS 401 HE1 LYS 401 2.319 10.670 18.729 255 HZ1 LYS 401 HZ1 LYS 401 4.044 11.192 20.252 256 HZ2 LYS 401 HZ2 LYS 401 4.139 9.589 20.807 257 HZ3 LYS 401 HZ3 LYS 401 2.769 10.532 21.155 258 H HIS 402 HN HIS 402 1.715 4.683 23.107 259 HA HIS 402 HA HIS 402 0.550 2.087 22.652 260 HB2 HIS 402 HB2 HIS 402 1.582 2.521 24.795 261 HB3 HIS 402 HB1 HIS 402 0.548 3.925 25.058 262 HD1 HIS 402 HD1 HIS 402 0.246 0.155 24.598 263 HD2 HIS 402 HD2 HIS 402 -1.870 3.323 26.290 264 HE1 HIS 402 HE1 HIS 402 -1.732 -0.868 25.805 265 HE2 HIS 402 HE2 HIS 402 -3.032 1.051 26.841 266 H HIS 403 HN HIS 403 -1.481 1.649 22.072 267 HA HIS 403 HA HIS 403 -3.330 3.786 21.529 268 HB2 HIS 403 HB2 HIS 403 -3.282 1.896 20.029 269 HB3 HIS 403 HB1 HIS 403 -3.584 0.776 21.355 270 HD1 HIS 403 HD1 HIS 403 -5.288 3.670 19.564 271 HD2 HIS 403 HD2 HIS 403 -6.278 0.351 21.884 272 HE1 HIS 403 HE1 HIS 403 -7.816 3.527 19.566 273 HE2 HIS 403 HE2 HIS 403 -8.436 1.509 20.977 274 H HIS 404 HN HIS 404 -4.927 4.534 22.786 275 HA HIS 404 HA HIS 404 -5.148 3.664 25.506 276 HB2 HIS 404 HB2 HIS 404 -6.753 5.622 23.853 277 HB3 HIS 404 HB1 HIS 404 -7.036 5.333 25.570 278 HD1 HIS 404 HD1 HIS 404 -4.469 6.732 23.188 279 HD2 HIS 404 HD2 HIS 404 -5.099 6.449 27.300 280 HE1 HIS 404 HE1 HIS 404 -2.740 8.224 24.283 281 HE2 HIS 404 HE2 HIS 404 -3.111 8.063 26.790 282 H ALA 405 HN ALA 405 -6.698 2.455 26.488 283 HA ALA 405 HA ALA 405 -8.248 0.678 24.832 284 HB1 ALA 405 HB1 ALA 405 -7.212 -0.128 26.899 285 HB2 ALA 405 HB2 ALA 405 -8.965 -0.299 26.985 286 HB3 ALA 405 HB3 ALA 405 -8.165 1.020 27.840 287 H GLY 406 HN GLY 406 -8.759 3.757 26.137 288 HA2 GLY 406 HA2 GLY 406 -11.500 3.670 26.812 289 HA3 GLY 406 HA1 GLY 406 -10.610 5.110 26.328 290 H TYR 407 HN TYR 407 -9.825 4.167 23.739 291 HA TYR 407 HA TYR 407 -12.423 4.367 22.331 292 HB2 TYR 407 HB2 TYR 407 -9.606 5.070 21.478 293 HB3 TYR 407 HB1 TYR 407 -11.002 5.110 20.399 294 HD1 TYR 407 HD2 TYR 407 -13.052 6.503 21.174 295 HD2 TYR 407 HD1 TYR 407 -9.107 6.950 22.816 296 HE1 TYR 407 HE2 TYR 407 -13.657 8.755 22.018 297 HE2 TYR 407 HE1 TYR 407 -9.713 9.200 23.660 298 HH TYR 407 HH TYR 407 -12.666 10.777 22.732 299 H GLU 408 HN GLU 408 -13.085 2.802 20.978 300 HA GLU 408 HA GLU 408 -11.838 0.247 21.033 301 HB2 GLU 408 HB2 GLU 408 -14.280 0.591 20.716 302 HB3 GLU 408 HB1 GLU 408 -13.954 1.284 19.128 303 HG2 GLU 408 HG2 GLU 408 -12.929 -0.822 18.394 304 HG3 GLU 408 HG1 GLU 408 -13.184 -1.519 19.993 305 H GLN 409 HN GLN 409 -10.055 -0.326 19.965 306 HA GLN 409 HA GLN 409 -8.923 1.246 17.885 307 HB2 GLN 409 HB2 GLN 409 -7.459 -0.064 19.286 308 HB3 GLN 409 HB1 GLN 409 -8.311 -1.551 18.890 309 HG2 GLN 409 HG2 GLN 409 -6.141 -1.282 17.658 310 HG3 GLN 409 HG1 GLN 409 -7.527 -1.453 16.580 311 HE21 GLN 409 HE21 GLN 409 -6.842 -0.159 14.811 312 HE22 GLN 409 HE22 GLN 409 -6.441 1.485 14.948 313 H PHE 410 HN PHE 410 -9.096 1.099 15.718 314 HA PHE 410 HA PHE 410 -11.263 -0.187 14.504 315 HB2 PHE 410 HB2 PHE 410 -10.146 1.723 13.476 316 HB3 PHE 410 HB1 PHE 410 -8.672 0.777 13.266 317 HD1 PHE 410 HD1 PHE 410 -12.289 0.887 12.342 318 HD2 PHE 410 HD2 PHE 410 -8.380 -0.599 11.363 319 HE1 PHE 410 HE1 PHE 410 -13.161 0.012 10.191 320 HE2 PHE 410 HE2 PHE 410 -9.251 -1.475 9.213 321 HZ PHE 410 HZ PHE 410 -11.642 -1.169 8.627 Start of MODEL 7 1 H1 SER 369 HT1 SER 369 2.286 -14.118 -18.465 2 H2 SER 369 HT2 SER 369 3.066 -14.350 -19.956 3 H3 SER 369 HT3 SER 369 1.397 -14.039 -19.906 4 HA SER 369 HA SER 369 3.591 -12.169 -19.216 5 HB2 SER 369 HB2 SER 369 1.401 -12.023 -21.306 6 HB3 SER 369 HB1 SER 369 2.704 -10.861 -21.072 7 HG SER 369 HG SER 369 2.696 -13.234 -22.391 8 H ALA 370 HN ALA 370 3.097 -11.050 -17.459 9 HA ALA 370 HA ALA 370 0.530 -10.906 -16.280 10 HB1 ALA 370 HB1 ALA 370 2.893 -9.047 -15.881 11 HB2 ALA 370 HB2 ALA 370 2.597 -10.541 -14.986 12 HB3 ALA 370 HB3 ALA 370 1.490 -9.177 -14.821 13 H ASP 371 HN ASP 371 2.286 -8.688 -18.412 14 HA ASP 371 HA ASP 371 -0.226 -7.465 -19.219 15 HB2 ASP 371 HB2 ASP 371 0.612 -6.214 -17.146 16 HB3 ASP 371 HB1 ASP 371 1.945 -5.662 -18.157 17 H ASP 372 HN ASP 372 1.526 -5.099 -20.105 18 HA ASP 372 HA ASP 372 2.017 -6.009 -22.738 19 HB2 ASP 372 HB2 ASP 372 2.874 -3.529 -21.241 20 HB3 ASP 372 HB1 ASP 372 3.243 -3.794 -22.944 21 H ASP 373 HN ASP 373 3.847 -6.693 -23.744 22 HA ASP 373 HA ASP 373 5.894 -7.910 -22.225 23 HB2 ASP 373 HB2 ASP 373 5.672 -7.213 -25.154 24 HB3 ASP 373 HB1 ASP 373 7.058 -8.069 -24.484 25 H ASN 374 HN ASN 374 5.737 -4.836 -23.970 26 HA ASN 374 HA ASN 374 8.474 -4.134 -23.506 27 HB2 ASN 374 HB2 ASN 374 7.077 -3.195 -25.350 28 HB3 ASN 374 HB1 ASN 374 6.136 -2.321 -24.143 29 HD21 ASN 374 HD21 ASN 374 6.815 -0.180 -24.676 30 HD22 ASN 374 HD22 ASN 374 8.426 0.337 -24.542 31 H PHE 375 HN PHE 375 9.378 -2.999 -21.854 32 HA PHE 375 HA PHE 375 7.633 -2.273 -19.574 33 HB2 PHE 375 HB2 PHE 375 10.582 -2.969 -19.584 34 HB3 PHE 375 HB1 PHE 375 9.602 -2.607 -18.163 35 HD1 PHE 375 HD2 PHE 375 7.588 -4.093 -17.657 36 HD2 PHE 375 HD1 PHE 375 10.628 -5.164 -20.498 37 HE1 PHE 375 HE2 PHE 375 6.873 -6.464 -17.529 38 HE2 PHE 375 HE1 PHE 375 9.912 -7.535 -20.368 39 HZ PHE 375 HZ PHE 375 8.035 -8.186 -18.884 40 H LEU 376 HN LEU 376 7.194 -0.163 -19.881 41 HA LEU 376 HA LEU 376 8.946 1.752 -21.007 42 HB2 LEU 376 HB2 LEU 376 6.438 1.922 -19.345 43 HB3 LEU 376 HB1 LEU 376 7.340 3.383 -19.751 44 HG LEU 376 HG LEU 376 7.160 2.853 -22.140 45 HD11 LEU 376 HD11 LEU 376 7.146 0.478 -22.193 46 HD12 LEU 376 HD12 LEU 376 5.530 0.943 -22.724 47 HD13 LEU 376 HD13 LEU 376 5.789 0.379 -21.072 48 HD21 LEU 376 HD21 LEU 376 4.440 2.586 -20.830 49 HD22 LEU 376 HD22 LEU 376 4.807 3.315 -22.393 50 HD23 LEU 376 HD23 LEU 376 5.331 4.105 -20.907 51 H VAL 377 HN VAL 377 8.236 0.844 -17.654 52 HA VAL 377 HA VAL 377 9.233 1.440 -15.666 53 HB VAL 377 HB VAL 377 11.771 1.529 -17.296 54 HG11 VAL 377 HG11 VAL 377 12.807 0.793 -15.265 55 HG12 VAL 377 HG12 VAL 377 11.249 0.439 -14.521 56 HG13 VAL 377 HG13 VAL 377 11.727 2.111 -14.809 57 HG21 VAL 377 HG21 VAL 377 11.847 -0.940 -16.946 58 HG22 VAL 377 HG22 VAL 377 10.502 -0.452 -17.974 59 HG23 VAL 377 HG23 VAL 377 10.211 -0.872 -16.288 60 HA PRO 378 HA PRO 378 9.683 5.921 -17.048 61 HB2 PRO 378 HB2 PRO 378 7.356 6.869 -15.925 62 HB3 PRO 378 HB1 PRO 378 7.458 6.248 -17.585 63 HG2 PRO 378 HG2 PRO 378 6.442 4.910 -15.124 64 HG3 PRO 378 HG1 PRO 378 5.834 4.822 -16.784 65 HD2 PRO 378 HD2 PRO 378 7.378 2.848 -15.632 66 HD3 PRO 378 HD1 PRO 378 7.327 3.152 -17.382 67 H ILE 379 HN ILE 379 9.981 7.794 -15.634 68 HA ILE 379 HA ILE 379 11.298 7.150 -13.221 69 HB ILE 379 HB ILE 379 10.292 9.795 -14.290 70 HG12 ILE 379 HG12 ILE 379 13.105 8.685 -14.120 71 HG13 ILE 379 HG11 ILE 379 12.085 8.497 -15.549 72 HG21 ILE 379 HG21 ILE 379 10.513 10.112 -11.937 73 HG22 ILE 379 HG22 ILE 379 12.036 10.686 -12.618 74 HG23 ILE 379 HG23 ILE 379 11.953 9.095 -11.859 75 HD11 ILE 379 HD11 ILE 379 11.834 10.972 -15.658 76 HD12 ILE 379 HD12 ILE 379 13.515 10.463 -15.822 77 HD13 ILE 379 HD13 ILE 379 12.938 11.122 -14.290 78 H ALA 380 HN ALA 380 8.083 8.511 -13.879 79 HA ALA 380 HA ALA 380 7.175 9.229 -11.427 80 HB1 ALA 380 HB1 ALA 380 4.911 8.224 -12.163 81 HB2 ALA 380 HB2 ALA 380 5.746 7.744 -13.641 82 HB3 ALA 380 HB3 ALA 380 5.638 9.447 -13.205 83 H VAL 381 HN VAL 381 8.187 6.065 -12.337 84 HA VAL 381 HA VAL 381 6.700 4.556 -10.454 85 HB VAL 381 HB VAL 381 9.303 4.057 -11.907 86 HG11 VAL 381 HG11 VAL 381 9.575 2.770 -9.937 87 HG12 VAL 381 HG12 VAL 381 8.886 1.638 -11.101 88 HG13 VAL 381 HG13 VAL 381 7.861 2.366 -9.864 89 HG21 VAL 381 HG21 VAL 381 8.015 2.706 -13.344 90 HG22 VAL 381 HG22 VAL 381 6.931 4.056 -13.022 91 HG23 VAL 381 HG23 VAL 381 6.710 2.532 -12.170 92 H GLY 382 HN GLY 382 9.889 6.106 -10.339 93 HA2 GLY 382 HA2 GLY 382 10.651 5.137 -7.808 94 HA3 GLY 382 HA1 GLY 382 11.292 6.580 -8.584 95 H ALA 383 HN ALA 383 8.830 8.015 -8.786 96 HA ALA 383 HA ALA 383 8.763 9.271 -6.252 97 HB1 ALA 383 HB1 ALA 383 6.743 9.376 -8.507 98 HB2 ALA 383 HB2 ALA 383 8.122 10.457 -8.298 99 HB3 ALA 383 HB3 ALA 383 6.797 10.482 -7.134 100 H ALA 384 HN ALA 384 6.724 6.849 -7.790 101 HA ALA 384 HA ALA 384 4.687 6.758 -5.830 102 HB1 ALA 384 HB1 ALA 384 4.447 5.761 -8.073 103 HB2 ALA 384 HB2 ALA 384 4.144 4.568 -6.810 104 HB3 ALA 384 HB3 ALA 384 5.683 4.568 -7.672 105 H LEU 385 HN LEU 385 7.802 5.151 -6.157 106 HA LEU 385 HA LEU 385 7.488 3.256 -4.100 107 HB2 LEU 385 HB2 LEU 385 9.378 3.609 -5.935 108 HB3 LEU 385 HB1 LEU 385 10.169 4.499 -4.637 109 HG LEU 385 HG LEU 385 9.163 1.645 -4.463 110 HD11 LEU 385 HD11 LEU 385 11.143 1.811 -5.869 111 HD12 LEU 385 HD12 LEU 385 11.585 1.095 -4.320 112 HD13 LEU 385 HD13 LEU 385 11.965 2.785 -4.649 113 HD21 LEU 385 HD21 LEU 385 9.022 2.409 -2.266 114 HD22 LEU 385 HD22 LEU 385 10.357 3.546 -2.456 115 HD23 LEU 385 HD23 LEU 385 10.679 1.815 -2.310 116 H ALA 386 HN ALA 386 8.762 6.575 -4.071 117 HA ALA 386 HA ALA 386 9.523 6.628 -1.355 118 HB1 ALA 386 HB1 ALA 386 8.515 8.999 -2.927 119 HB2 ALA 386 HB2 ALA 386 10.127 8.318 -3.153 120 HB3 ALA 386 HB3 ALA 386 9.666 8.994 -1.591 121 H GLY 387 HN GLY 387 6.470 7.288 -2.982 122 HA2 GLY 387 HA2 GLY 387 5.071 8.386 -0.791 123 HA3 GLY 387 HA1 GLY 387 4.335 7.588 -2.180 124 H VAL 388 HN VAL 388 5.515 5.052 -1.899 125 HA VAL 388 HA VAL 388 3.752 3.832 -0.051 126 HB VAL 388 HB VAL 388 6.186 2.733 -1.477 127 HG11 VAL 388 HG11 VAL 388 4.966 0.524 -0.993 128 HG12 VAL 388 HG12 VAL 388 4.039 1.428 0.206 129 HG13 VAL 388 HG13 VAL 388 5.789 1.282 0.370 130 HG21 VAL 388 HG21 VAL 388 4.638 1.929 -3.107 131 HG22 VAL 388 HG22 VAL 388 4.166 3.602 -2.808 132 HG23 VAL 388 HG23 VAL 388 3.253 2.284 -2.073 133 H LEU 389 HN LEU 389 7.219 4.551 0.055 134 HA LEU 389 HA LEU 389 7.789 3.241 2.470 135 HB2 LEU 389 HB2 LEU 389 9.334 4.478 0.650 136 HB3 LEU 389 HB1 LEU 389 9.241 5.788 1.825 137 HG LEU 389 HG LEU 389 10.163 2.951 2.363 138 HD11 LEU 389 HD11 LEU 389 11.629 5.605 2.318 139 HD12 LEU 389 HD12 LEU 389 11.811 4.288 1.157 140 HD13 LEU 389 HD13 LEU 389 12.332 4.069 2.828 141 HD21 LEU 389 HD21 LEU 389 10.827 4.134 4.615 142 HD22 LEU 389 HD22 LEU 389 9.167 3.589 4.387 143 HD23 LEU 389 HD23 LEU 389 9.572 5.292 4.171 144 H ILE 390 HN ILE 390 6.534 6.467 1.788 145 HA ILE 390 HA ILE 390 6.754 7.496 4.400 146 HB ILE 390 HB ILE 390 4.865 8.161 2.134 147 HG12 ILE 390 HG12 ILE 390 7.479 8.546 2.061 148 HG13 ILE 390 HG11 ILE 390 6.396 9.832 1.538 149 HG21 ILE 390 HG21 ILE 390 4.636 10.356 3.497 150 HG22 ILE 390 HG22 ILE 390 5.207 9.402 4.864 151 HG23 ILE 390 HG23 ILE 390 3.711 8.957 4.041 152 HD11 ILE 390 HD11 ILE 390 7.313 9.691 4.410 153 HD12 ILE 390 HD12 ILE 390 6.709 11.079 3.508 154 HD13 ILE 390 HD13 ILE 390 8.323 10.448 3.179 155 H LEU 391 HN LEU 391 4.188 5.709 2.765 156 HA LEU 391 HA LEU 391 2.254 5.895 4.789 157 HB2 LEU 391 HB2 LEU 391 2.784 3.950 2.566 158 HB3 LEU 391 HB1 LEU 391 1.483 3.642 3.717 159 HG LEU 391 HG LEU 391 1.663 6.372 2.446 160 HD11 LEU 391 HD11 LEU 391 0.697 3.836 1.113 161 HD12 LEU 391 HD12 LEU 391 1.808 5.048 0.476 162 HD13 LEU 391 HD13 LEU 391 0.094 5.427 0.644 163 HD21 LEU 391 HD21 LEU 391 -0.656 4.581 3.248 164 HD22 LEU 391 HD22 LEU 391 -0.781 6.259 2.720 165 HD23 LEU 391 HD23 LEU 391 0.014 5.870 4.245 166 H VAL 392 HN VAL 392 4.868 3.586 4.261 167 HA VAL 392 HA VAL 392 4.171 1.775 6.309 168 HB VAL 392 HB VAL 392 6.861 2.427 5.084 169 HG11 VAL 392 HG11 VAL 392 7.327 1.388 7.180 170 HG12 VAL 392 HG12 VAL 392 7.398 0.087 5.991 171 HG13 VAL 392 HG13 VAL 392 5.972 0.272 7.011 172 HG21 VAL 392 HG21 VAL 392 4.787 0.267 4.591 173 HG22 VAL 392 HG22 VAL 392 6.406 0.259 3.890 174 HG23 VAL 392 HG23 VAL 392 5.271 1.542 3.473 175 H LEU 393 HN LEU 393 6.152 4.690 6.279 176 HA LEU 393 HA LEU 393 7.212 4.459 8.886 177 HB2 LEU 393 HB2 LEU 393 6.792 6.697 6.947 178 HB3 LEU 393 HB1 LEU 393 7.201 7.117 8.609 179 HG LEU 393 HG LEU 393 8.845 5.014 7.197 180 HD11 LEU 393 HD11 LEU 393 9.245 8.006 6.902 181 HD12 LEU 393 HD12 LEU 393 8.711 6.922 5.619 182 HD13 LEU 393 HD13 LEU 393 10.328 6.749 6.301 183 HD21 LEU 393 HD21 LEU 393 9.026 5.687 9.671 184 HD22 LEU 393 HD22 LEU 393 9.693 7.212 9.092 185 HD23 LEU 393 HD23 LEU 393 10.524 5.696 8.741 186 H LEU 394 HN LEU 394 4.231 5.930 7.696 187 HA LEU 394 HA LEU 394 3.430 7.087 10.132 188 HB2 LEU 394 HB2 LEU 394 2.400 7.645 7.990 189 HB3 LEU 394 HB1 LEU 394 1.765 6.006 7.861 190 HG LEU 394 HG LEU 394 1.058 7.346 10.404 191 HD11 LEU 394 HD11 LEU 394 0.120 8.464 7.762 192 HD12 LEU 394 HD12 LEU 394 0.845 9.332 9.115 193 HD13 LEU 394 HD13 LEU 394 -0.785 8.675 9.263 194 HD21 LEU 394 HD21 LEU 394 0.161 5.134 9.399 195 HD22 LEU 394 HD22 LEU 394 -0.802 6.159 8.333 196 HD23 LEU 394 HD23 LEU 394 -1.024 6.248 10.080 197 H ALA 395 HN ALA 395 2.855 3.868 8.742 198 HA ALA 395 HA ALA 395 1.044 2.888 10.626 199 HB1 ALA 395 HB1 ALA 395 1.668 1.714 8.532 200 HB2 ALA 395 HB2 ALA 395 1.797 0.662 9.942 201 HB3 ALA 395 HB3 ALA 395 3.249 1.356 9.223 202 H TYR 396 HN TYR 396 4.600 2.732 10.629 203 HA TYR 396 HA TYR 396 4.837 1.424 13.130 204 HB2 TYR 396 HB2 TYR 396 6.676 1.473 11.511 205 HB3 TYR 396 HB1 TYR 396 6.811 3.222 11.700 206 HD1 TYR 396 HD1 TYR 396 7.061 -0.017 13.533 207 HD2 TYR 396 HD2 TYR 396 8.022 4.171 13.515 208 HE1 TYR 396 HE1 TYR 396 8.534 -0.346 15.502 209 HE2 TYR 396 HE2 TYR 396 9.494 3.840 15.483 210 HH TYR 396 HH TYR 396 10.824 1.404 16.394 211 H PHE 397 HN PHE 397 4.586 4.804 12.189 212 HA PHE 397 HA PHE 397 5.398 6.034 14.563 213 HB2 PHE 397 HB2 PHE 397 4.846 7.172 12.369 214 HB3 PHE 397 HB1 PHE 397 3.143 6.999 12.789 215 HD1 PHE 397 HD2 PHE 397 2.329 7.991 15.014 216 HD2 PHE 397 HD1 PHE 397 6.134 8.931 13.262 217 HE1 PHE 397 HE2 PHE 397 2.479 10.018 16.433 218 HE2 PHE 397 HE1 PHE 397 6.287 10.960 14.682 219 HZ PHE 397 HZ PHE 397 4.458 11.503 16.268 220 H ILE 398 HN ILE 398 2.178 4.872 13.587 221 HA ILE 398 HA ILE 398 0.841 5.683 15.945 222 HB ILE 398 HB ILE 398 0.180 3.533 13.910 223 HG12 ILE 398 HG12 ILE 398 -1.080 6.245 14.382 224 HG13 ILE 398 HG11 ILE 398 0.232 5.982 13.231 225 HG21 ILE 398 HG21 ILE 398 -1.343 4.565 16.309 226 HG22 ILE 398 HG22 ILE 398 -0.975 2.892 15.892 227 HG23 ILE 398 HG23 ILE 398 -2.152 3.797 14.941 228 HD11 ILE 398 HD11 ILE 398 -2.016 5.856 12.157 229 HD12 ILE 398 HD12 ILE 398 -2.403 4.487 13.196 230 HD13 ILE 398 HD13 ILE 398 -1.108 4.353 12.008 231 H GLY 399 HN GLY 399 2.423 2.641 15.004 232 HA2 GLY 399 HA2 GLY 399 1.678 1.140 17.273 233 HA3 GLY 399 HA1 GLY 399 3.048 0.803 16.222 234 H LEU 400 HN LEU 400 4.356 3.329 16.634 235 HA LEU 400 HA LEU 400 5.936 2.672 18.861 236 HB2 LEU 400 HB2 LEU 400 6.818 4.001 17.021 237 HB3 LEU 400 HB1 LEU 400 5.683 5.301 17.376 238 HG LEU 400 HG LEU 400 6.727 5.647 19.577 239 HD11 LEU 400 HD11 LEU 400 7.511 3.574 20.318 240 HD12 LEU 400 HD12 LEU 400 9.017 4.362 19.851 241 HD13 LEU 400 HD13 LEU 400 8.267 3.185 18.772 242 HD21 LEU 400 HD21 LEU 400 7.640 6.763 17.514 243 HD22 LEU 400 HD22 LEU 400 8.861 5.494 17.430 244 HD23 LEU 400 HD23 LEU 400 8.816 6.586 18.814 245 H LYS 401 HN LYS 401 3.333 5.061 18.477 246 HA LYS 401 HA LYS 401 3.617 6.099 21.131 247 HB2 LYS 401 HB2 LYS 401 2.629 7.402 19.266 248 HB3 LYS 401 HB1 LYS 401 1.256 6.295 19.248 249 HG2 LYS 401 HG2 LYS 401 0.693 6.894 21.545 250 HG3 LYS 401 HG1 LYS 401 2.120 7.926 21.655 251 HD2 LYS 401 HD2 LYS 401 1.231 9.335 19.824 252 HD3 LYS 401 HD1 LYS 401 -0.209 8.318 19.751 253 HE2 LYS 401 HE2 LYS 401 0.689 9.796 22.240 254 HE3 LYS 401 HE1 LYS 401 -0.518 10.412 21.112 255 HZ1 LYS 401 HZ1 LYS 401 -1.234 7.802 21.692 256 HZ2 LYS 401 HZ2 LYS 401 -2.017 9.223 22.197 257 HZ3 LYS 401 HZ3 LYS 401 -0.828 8.510 23.178 258 H HIS 402 HN HIS 402 2.661 5.467 22.989 259 HA HIS 402 HA HIS 402 1.672 3.985 24.457 260 HB2 HIS 402 HB2 HIS 402 -0.257 5.339 23.766 261 HB3 HIS 402 HB1 HIS 402 -0.537 4.254 22.404 262 HD1 HIS 402 HD1 HIS 402 -0.234 3.999 26.204 263 HD2 HIS 402 HD2 HIS 402 -2.247 2.183 23.037 264 HE1 HIS 402 HE1 HIS 402 -1.788 2.285 27.233 265 HE2 HIS 402 HE2 HIS 402 -3.023 1.169 25.315 266 H HIS 403 HN HIS 403 2.951 2.154 24.258 267 HA HIS 403 HA HIS 403 2.566 0.240 22.145 268 HB2 HIS 403 HB2 HIS 403 4.070 0.092 24.766 269 HB3 HIS 403 HB1 HIS 403 4.085 -1.180 23.544 270 HD1 HIS 403 HD1 HIS 403 5.322 2.294 24.223 271 HD2 HIS 403 HD2 HIS 403 5.527 -0.535 21.166 272 HE1 HIS 403 HE1 HIS 403 7.086 3.116 22.603 273 HE2 HIS 403 HE2 HIS 403 7.223 1.403 20.734 274 H HIS 404 HN HIS 404 1.574 -1.772 22.265 275 HA HIS 404 HA HIS 404 -0.447 -2.047 24.405 276 HB2 HIS 404 HB2 HIS 404 -0.263 -3.279 21.646 277 HB3 HIS 404 HB1 HIS 404 -1.537 -3.625 22.816 278 HD1 HIS 404 HD1 HIS 404 -3.106 -1.591 23.495 279 HD2 HIS 404 HD2 HIS 404 -0.563 -0.843 20.277 280 HE1 HIS 404 HE1 HIS 404 -3.979 0.500 22.363 281 HE2 HIS 404 HE2 HIS 404 -2.439 0.969 20.398 282 H ALA 405 HN ALA 405 -0.253 -3.590 25.883 283 HA ALA 405 HA ALA 405 1.992 -5.396 25.829 284 HB1 ALA 405 HB1 ALA 405 1.076 -6.183 27.998 285 HB2 ALA 405 HB2 ALA 405 -0.334 -5.153 27.752 286 HB3 ALA 405 HB3 ALA 405 1.263 -4.430 27.946 287 H GLY 406 HN GLY 406 -1.184 -5.471 24.642 288 HA2 GLY 406 HA2 GLY 406 -1.853 -8.199 24.971 289 HA3 GLY 406 HA1 GLY 406 -2.498 -7.127 23.732 290 H TYR 407 HN TYR 407 0.044 -6.479 22.541 291 HA TYR 407 HA TYR 407 0.366 -8.859 20.894 292 HB2 TYR 407 HB2 TYR 407 0.203 -6.660 19.822 293 HB3 TYR 407 HB1 TYR 407 1.639 -6.120 20.693 294 HD1 TYR 407 HD1 TYR 407 0.418 -8.707 18.291 295 HD2 TYR 407 HD2 TYR 407 3.805 -6.576 19.854 296 HE1 TYR 407 HE1 TYR 407 1.855 -9.702 16.533 297 HE2 TYR 407 HE2 TYR 407 5.241 -7.571 18.095 298 HH TYR 407 HH TYR 407 5.145 -9.743 16.656 299 H GLU 408 HN GLU 408 1.973 -10.286 21.059 300 HA GLU 408 HA GLU 408 3.855 -10.142 23.198 301 HB2 GLU 408 HB2 GLU 408 2.954 -12.275 22.282 302 HB3 GLU 408 HB1 GLU 408 3.863 -11.986 20.798 303 HG2 GLU 408 HG2 GLU 408 5.968 -11.976 22.072 304 HG3 GLU 408 HG1 GLU 408 5.073 -12.226 23.569 305 H GLN 409 HN GLN 409 5.603 -8.893 23.219 306 HA GLN 409 HA GLN 409 6.683 -7.759 20.817 307 HB2 GLN 409 HB2 GLN 409 6.769 -6.453 22.857 308 HB3 GLN 409 HB1 GLN 409 7.649 -7.729 23.693 309 HG2 GLN 409 HG2 GLN 409 9.120 -5.838 22.941 310 HG3 GLN 409 HG1 GLN 409 9.605 -7.391 22.254 311 HE21 GLN 409 HE21 GLN 409 10.416 -6.704 20.215 312 HE22 GLN 409 HE22 GLN 409 9.489 -5.854 19.076 313 H PHE 410 HN PHE 410 8.360 -8.442 19.607 314 HA PHE 410 HA PHE 410 9.337 -11.064 19.760 315 HB2 PHE 410 HB2 PHE 410 10.482 -8.617 18.398 316 HB3 PHE 410 HB1 PHE 410 11.095 -10.254 18.160 317 HD1 PHE 410 HD2 PHE 410 9.613 -12.016 17.181 318 HD2 PHE 410 HD1 PHE 410 8.434 -7.891 17.384 319 HE1 PHE 410 HE2 PHE 410 7.830 -12.444 15.511 320 HE2 PHE 410 HE1 PHE 410 6.650 -8.318 15.715 321 HZ PHE 410 HZ PHE 410 6.348 -10.595 14.778 Start of MODEL 8 1 H1 SER 369 HT1 SER 369 15.794 -4.024 -26.348 2 H2 SER 369 HT2 SER 369 16.719 -3.659 -24.970 3 H3 SER 369 HT3 SER 369 17.014 -5.087 -25.841 4 HA SER 369 HA SER 369 18.402 -4.077 -27.214 5 HB2 SER 369 HB2 SER 369 16.150 -2.073 -27.454 6 HB3 SER 369 HB1 SER 369 17.658 -1.916 -28.353 7 HG SER 369 HG SER 369 15.545 -3.628 -28.711 8 H ALA 370 HN ALA 370 19.555 -1.799 -27.505 9 HA ALA 370 HA ALA 370 20.757 -1.194 -25.014 10 HB1 ALA 370 HB1 ALA 370 21.868 0.663 -26.230 11 HB2 ALA 370 HB2 ALA 370 20.813 0.372 -27.612 12 HB3 ALA 370 HB3 ALA 370 21.972 -0.862 -27.109 13 H ASP 371 HN ASP 371 18.248 0.400 -26.894 14 HA ASP 371 HA ASP 371 17.971 2.509 -24.846 15 HB2 ASP 371 HB2 ASP 371 17.976 3.043 -27.343 16 HB3 ASP 371 HB1 ASP 371 16.390 2.274 -27.414 17 H ASP 372 HN ASP 372 16.782 1.894 -23.140 18 HA ASP 372 HA ASP 372 14.774 -0.121 -23.236 19 HB2 ASP 372 HB2 ASP 372 15.479 1.971 -21.173 20 HB3 ASP 372 HB1 ASP 372 14.213 0.768 -20.929 21 H ASP 373 HN ASP 373 12.566 0.036 -23.318 22 HA ASP 373 HA ASP 373 11.438 2.247 -24.697 23 HB2 ASP 373 HB2 ASP 373 10.204 -0.119 -23.286 24 HB3 ASP 373 HB1 ASP 373 9.252 1.081 -24.157 25 H ASN 374 HN ASN 374 10.127 3.899 -23.999 26 HA ASN 374 HA ASN 374 10.566 4.936 -21.409 27 HB2 ASN 374 HB2 ASN 374 8.548 5.623 -23.549 28 HB3 ASN 374 HB1 ASN 374 8.689 6.521 -22.039 29 HD21 ASN 374 HD21 ASN 374 9.228 7.776 -24.552 30 HD22 ASN 374 HD22 ASN 374 10.886 8.134 -24.625 31 H PHE 375 HN PHE 375 7.881 3.119 -22.825 32 HA PHE 375 HA PHE 375 6.059 3.369 -20.699 33 HB2 PHE 375 HB2 PHE 375 6.465 1.188 -22.751 34 HB3 PHE 375 HB1 PHE 375 5.125 1.192 -21.604 35 HD1 PHE 375 HD2 PHE 375 3.447 3.032 -21.639 36 HD2 PHE 375 HD1 PHE 375 6.515 2.698 -24.626 37 HE1 PHE 375 HE2 PHE 375 2.194 4.596 -23.100 38 HE2 PHE 375 HE1 PHE 375 5.262 4.263 -26.088 39 HZ PHE 375 HZ PHE 375 3.102 5.211 -25.324 40 H LEU 376 HN LEU 376 8.600 0.971 -21.319 41 HA LEU 376 HA LEU 376 8.040 -0.497 -18.899 42 HB2 LEU 376 HB2 LEU 376 10.186 -0.626 -21.006 43 HB3 LEU 376 HB1 LEU 376 10.306 -1.585 -19.532 44 HG LEU 376 HG LEU 376 9.217 -2.794 -21.456 45 HD11 LEU 376 HD11 LEU 376 7.042 -2.532 -19.410 46 HD12 LEU 376 HD12 LEU 376 8.635 -3.008 -18.817 47 HD13 LEU 376 HD13 LEU 376 7.827 -3.977 -20.047 48 HD21 LEU 376 HD21 LEU 376 6.853 -0.970 -20.969 49 HD22 LEU 376 HD22 LEU 376 7.086 -2.122 -22.281 50 HD23 LEU 376 HD23 LEU 376 8.036 -0.637 -22.233 51 H VAL 377 HN VAL 377 9.084 -0.426 -16.977 52 HA VAL 377 HA VAL 377 10.208 0.560 -15.232 53 HB VAL 377 HB VAL 377 12.363 1.123 -17.268 54 HG11 VAL 377 HG11 VAL 377 12.410 0.357 -14.331 55 HG12 VAL 377 HG12 VAL 377 12.696 1.977 -14.970 56 HG13 VAL 377 HG13 VAL 377 13.827 0.674 -15.333 57 HG21 VAL 377 HG21 VAL 377 11.637 -1.160 -17.649 58 HG22 VAL 377 HG22 VAL 377 11.598 -1.482 -15.916 59 HG23 VAL 377 HG23 VAL 377 13.140 -1.213 -16.728 60 HA PRO 378 HA PRO 378 9.253 4.843 -16.910 61 HB2 PRO 378 HB2 PRO 378 6.925 5.280 -15.537 62 HB3 PRO 378 HB1 PRO 378 6.970 4.479 -17.122 63 HG2 PRO 378 HG2 PRO 378 6.728 3.272 -14.401 64 HG3 PRO 378 HG1 PRO 378 5.912 2.823 -15.908 65 HD2 PRO 378 HD2 PRO 378 8.091 1.466 -14.905 66 HD3 PRO 378 HD1 PRO 378 7.689 1.523 -16.634 67 H ILE 379 HN ILE 379 9.511 6.809 -15.769 68 HA ILE 379 HA ILE 379 11.054 6.673 -13.402 69 HB ILE 379 HB ILE 379 9.664 8.999 -14.749 70 HG12 ILE 379 HG12 ILE 379 12.600 8.264 -14.634 71 HG13 ILE 379 HG11 ILE 379 11.534 7.742 -15.940 72 HG21 ILE 379 HG21 ILE 379 11.538 8.864 -12.377 73 HG22 ILE 379 HG22 ILE 379 9.978 9.677 -12.483 74 HG23 ILE 379 HG23 ILE 379 11.369 10.324 -13.352 75 HD11 ILE 379 HD11 ILE 379 11.051 10.029 -16.551 76 HD12 ILE 379 HD12 ILE 379 12.803 9.865 -16.438 77 HD13 ILE 379 HD13 ILE 379 11.905 10.639 -15.133 78 H ALA 380 HN ALA 380 7.666 7.545 -13.998 79 HA ALA 380 HA ALA 380 6.823 8.480 -11.592 80 HB1 ALA 380 HB1 ALA 380 5.434 7.924 -13.704 81 HB2 ALA 380 HB2 ALA 380 4.645 7.782 -12.136 82 HB3 ALA 380 HB3 ALA 380 5.204 6.334 -12.973 83 H VAL 381 HN VAL 381 8.154 5.352 -12.191 84 HA VAL 381 HA VAL 381 6.958 3.852 -10.149 85 HB VAL 381 HB VAL 381 8.423 2.974 -11.984 86 HG11 VAL 381 HG11 VAL 381 10.181 4.832 -11.523 87 HG12 VAL 381 HG12 VAL 381 10.775 3.217 -11.905 88 HG13 VAL 381 HG13 VAL 381 10.753 3.776 -10.233 89 HG21 VAL 381 HG21 VAL 381 7.849 1.694 -9.889 90 HG22 VAL 381 HG22 VAL 381 9.378 2.242 -9.201 91 HG23 VAL 381 HG23 VAL 381 9.375 1.207 -10.629 92 H GLY 382 HN GLY 382 9.819 5.956 -10.136 93 HA2 GLY 382 HA2 GLY 382 10.631 5.431 -7.483 94 HA3 GLY 382 HA1 GLY 382 11.032 6.875 -8.409 95 H ALA 383 HN ALA 383 8.373 7.790 -8.855 96 HA ALA 383 HA ALA 383 7.944 9.323 -6.531 97 HB1 ALA 383 HB1 ALA 383 5.775 9.931 -7.627 98 HB2 ALA 383 HB2 ALA 383 6.115 8.723 -8.866 99 HB3 ALA 383 HB3 ALA 383 7.177 10.119 -8.682 100 H ALA 384 HN ALA 384 6.355 6.394 -7.741 101 HA ALA 384 HA ALA 384 4.358 6.260 -5.731 102 HB1 ALA 384 HB1 ALA 384 4.255 3.823 -6.406 103 HB2 ALA 384 HB2 ALA 384 5.596 4.147 -7.505 104 HB3 ALA 384 HB3 ALA 384 4.053 4.972 -7.729 105 H LEU 385 HN LEU 385 7.655 5.018 -5.950 106 HA LEU 385 HA LEU 385 7.583 3.348 -3.690 107 HB2 LEU 385 HB2 LEU 385 9.421 3.723 -5.578 108 HB3 LEU 385 HB1 LEU 385 10.091 4.847 -4.398 109 HG LEU 385 HG LEU 385 9.454 1.929 -3.888 110 HD11 LEU 385 HD11 LEU 385 11.903 1.672 -3.745 111 HD12 LEU 385 HD12 LEU 385 12.103 3.368 -4.186 112 HD13 LEU 385 HD13 LEU 385 11.405 2.231 -5.341 113 HD21 LEU 385 HD21 LEU 385 10.397 4.184 -2.125 114 HD22 LEU 385 HD22 LEU 385 10.933 2.535 -1.786 115 HD23 LEU 385 HD23 LEU 385 9.215 2.921 -1.790 116 H ALA 386 HN ALA 386 8.458 6.775 -4.047 117 HA ALA 386 HA ALA 386 9.226 7.234 -1.382 118 HB1 ALA 386 HB1 ALA 386 9.773 8.869 -3.041 119 HB2 ALA 386 HB2 ALA 386 8.659 9.638 -1.911 120 HB3 ALA 386 HB3 ALA 386 8.078 9.078 -3.479 121 H GLY 387 HN GLY 387 6.078 7.379 -2.981 122 HA2 GLY 387 HA2 GLY 387 4.617 8.474 -0.815 123 HA3 GLY 387 HA1 GLY 387 3.939 7.558 -2.154 124 H VAL 388 HN VAL 388 5.223 5.130 -1.831 125 HA VAL 388 HA VAL 388 3.638 3.917 0.186 126 HB VAL 388 HB VAL 388 5.959 2.823 -1.416 127 HG11 VAL 388 HG11 VAL 388 5.721 1.427 0.511 128 HG12 VAL 388 HG12 VAL 388 4.838 0.612 -0.779 129 HG13 VAL 388 HG13 VAL 388 3.961 1.524 0.450 130 HG21 VAL 388 HG21 VAL 388 4.290 1.957 -2.888 131 HG22 VAL 388 HG22 VAL 388 3.827 3.635 -2.597 132 HG23 VAL 388 HG23 VAL 388 2.991 2.330 -1.754 133 H LEU 389 HN LEU 389 7.079 4.704 -0.033 134 HA LEU 389 HA LEU 389 7.927 3.444 2.311 135 HB2 LEU 389 HB2 LEU 389 9.443 4.349 0.601 136 HB3 LEU 389 HB1 LEU 389 8.999 5.988 1.068 137 HG LEU 389 HG LEU 389 9.853 4.291 3.361 138 HD11 LEU 389 HD11 LEU 389 11.788 4.988 1.142 139 HD12 LEU 389 HD12 LEU 389 11.405 3.382 1.760 140 HD13 LEU 389 HD13 LEU 389 12.282 4.530 2.773 141 HD21 LEU 389 HD21 LEU 389 10.892 6.975 2.389 142 HD22 LEU 389 HD22 LEU 389 10.998 6.315 4.021 143 HD23 LEU 389 HD23 LEU 389 9.434 6.799 3.364 144 H ILE 390 HN ILE 390 6.555 6.678 1.818 145 HA ILE 390 HA ILE 390 6.928 7.546 4.501 146 HB ILE 390 HB ILE 390 5.063 8.445 2.299 147 HG12 ILE 390 HG12 ILE 390 7.546 9.769 3.463 148 HG13 ILE 390 HG11 ILE 390 7.569 8.763 2.016 149 HG21 ILE 390 HG21 ILE 390 4.905 10.541 3.784 150 HG22 ILE 390 HG22 ILE 390 5.531 9.527 5.084 151 HG23 ILE 390 HG23 ILE 390 3.995 9.126 4.317 152 HD11 ILE 390 HD11 ILE 390 5.644 11.074 2.161 153 HD12 ILE 390 HD12 ILE 390 6.403 10.336 0.747 154 HD13 ILE 390 HD13 ILE 390 7.344 11.379 1.804 155 H LEU 391 HN LEU 391 4.266 5.995 2.767 156 HA LEU 391 HA LEU 391 2.342 6.167 4.788 157 HB2 LEU 391 HB2 LEU 391 2.784 4.298 2.486 158 HB3 LEU 391 HB1 LEU 391 1.464 3.999 3.617 159 HG LEU 391 HG LEU 391 1.775 6.772 2.464 160 HD11 LEU 391 HD11 LEU 391 0.219 6.030 0.604 161 HD12 LEU 391 HD12 LEU 391 0.617 4.366 1.035 162 HD13 LEU 391 HD13 LEU 391 1.880 5.454 0.459 163 HD21 LEU 391 HD21 LEU 391 -0.572 6.897 2.887 164 HD22 LEU 391 HD22 LEU 391 0.095 6.045 4.280 165 HD23 LEU 391 HD23 LEU 391 -0.720 5.143 3.003 166 H VAL 392 HN VAL 392 4.832 3.755 4.156 167 HA VAL 392 HA VAL 392 4.043 1.895 6.129 168 HB VAL 392 HB VAL 392 6.751 2.453 4.896 169 HG11 VAL 392 HG11 VAL 392 7.198 0.068 5.718 170 HG12 VAL 392 HG12 VAL 392 5.790 0.270 6.759 171 HG13 VAL 392 HG13 VAL 392 7.190 1.324 6.957 172 HG21 VAL 392 HG21 VAL 392 4.804 0.184 4.406 173 HG22 VAL 392 HG22 VAL 392 6.226 0.605 3.453 174 HG23 VAL 392 HG23 VAL 392 4.814 1.659 3.441 175 H LEU 393 HN LEU 393 6.227 4.668 6.210 176 HA LEU 393 HA LEU 393 7.255 4.251 8.804 177 HB2 LEU 393 HB2 LEU 393 7.019 6.591 6.959 178 HB3 LEU 393 HB1 LEU 393 7.450 6.915 8.637 179 HG LEU 393 HG LEU 393 8.935 4.748 7.141 180 HD11 LEU 393 HD11 LEU 393 10.562 6.417 6.354 181 HD12 LEU 393 HD12 LEU 393 9.540 7.714 6.975 182 HD13 LEU 393 HD13 LEU 393 8.974 6.706 5.646 183 HD21 LEU 393 HD21 LEU 393 10.639 5.205 8.732 184 HD22 LEU 393 HD22 LEU 393 9.139 5.310 9.653 185 HD23 LEU 393 HD23 LEU 393 9.958 6.783 9.131 186 H LEU 394 HN LEU 394 4.405 5.998 7.680 187 HA LEU 394 HA LEU 394 3.694 7.119 10.160 188 HB2 LEU 394 HB2 LEU 394 2.724 7.831 8.029 189 HB3 LEU 394 HB1 LEU 394 1.942 6.261 7.859 190 HG LEU 394 HG LEU 394 1.367 7.583 10.445 191 HD11 LEU 394 HD11 LEU 394 1.368 9.609 9.162 192 HD12 LEU 394 HD12 LEU 394 -0.316 9.140 9.399 193 HD13 LEU 394 HD13 LEU 394 0.473 8.846 7.848 194 HD21 LEU 394 HD21 LEU 394 0.270 5.496 9.389 195 HD22 LEU 394 HD22 LEU 394 -0.583 6.626 8.337 196 HD23 LEU 394 HD23 LEU 394 -0.818 6.702 10.082 197 H ALA 395 HN ALA 395 2.878 4.008 8.649 198 HA ALA 395 HA ALA 395 0.984 3.104 10.495 199 HB1 ALA 395 HB1 ALA 395 1.453 1.939 8.388 200 HB2 ALA 395 HB2 ALA 395 1.625 0.834 9.753 201 HB3 ALA 395 HB3 ALA 395 3.058 1.504 8.973 202 H TYR 396 HN TYR 396 4.519 2.706 10.499 203 HA TYR 396 HA TYR 396 4.651 1.273 12.944 204 HB2 TYR 396 HB2 TYR 396 6.504 1.235 11.362 205 HB3 TYR 396 HB1 TYR 396 6.741 2.972 11.558 206 HD1 TYR 396 HD1 TYR 396 6.791 -0.281 13.384 207 HD2 TYR 396 HD2 TYR 396 8.010 3.838 13.372 208 HE1 TYR 396 HE1 TYR 396 8.239 -0.704 15.353 209 HE2 TYR 396 HE2 TYR 396 9.458 3.416 15.340 210 HH TYR 396 HH TYR 396 9.606 0.188 16.854 211 H PHE 397 HN PHE 397 4.645 4.694 12.137 212 HA PHE 397 HA PHE 397 5.521 5.768 14.565 213 HB2 PHE 397 HB2 PHE 397 5.085 7.029 12.413 214 HB3 PHE 397 HB1 PHE 397 3.368 6.963 12.805 215 HD1 PHE 397 HD2 PHE 397 2.589 7.927 15.046 216 HD2 PHE 397 HD1 PHE 397 6.486 8.644 13.398 217 HE1 PHE 397 HE2 PHE 397 2.859 9.881 16.548 218 HE2 PHE 397 HE1 PHE 397 6.762 10.601 14.902 219 HZ PHE 397 HZ PHE 397 4.946 11.220 16.476 220 H ILE 398 HN ILE 398 2.241 4.878 13.510 221 HA ILE 398 HA ILE 398 0.924 5.698 15.877 222 HB ILE 398 HB ILE 398 0.152 3.666 13.760 223 HG12 ILE 398 HG12 ILE 398 -0.923 6.443 14.302 224 HG13 ILE 398 HG11 ILE 398 0.388 6.126 13.165 225 HG21 ILE 398 HG21 ILE 398 -2.171 4.056 14.763 226 HG22 ILE 398 HG22 ILE 398 -1.340 4.729 16.165 227 HG23 ILE 398 HG23 ILE 398 -1.074 3.047 15.708 228 HD11 ILE 398 HD11 ILE 398 -2.283 4.713 13.020 229 HD12 ILE 398 HD12 ILE 398 -1.009 4.735 11.801 230 HD13 ILE 398 HD13 ILE 398 -1.936 6.198 12.135 231 H GLY 399 HN GLY 399 2.309 2.583 14.852 232 HA2 GLY 399 HA2 GLY 399 1.422 1.064 17.051 233 HA3 GLY 399 HA1 GLY 399 2.795 0.673 16.020 234 H LEU 400 HN LEU 400 4.315 3.017 16.511 235 HA LEU 400 HA LEU 400 5.712 2.227 18.822 236 HB2 LEU 400 HB2 LEU 400 6.819 3.440 17.012 237 HB3 LEU 400 HB1 LEU 400 5.810 4.854 17.306 238 HG LEU 400 HG LEU 400 6.772 5.096 19.563 239 HD11 LEU 400 HD11 LEU 400 8.093 2.492 18.819 240 HD12 LEU 400 HD12 LEU 400 7.317 2.958 20.331 241 HD13 LEU 400 HD13 LEU 400 8.913 3.591 19.931 242 HD21 LEU 400 HD21 LEU 400 7.889 6.050 17.469 243 HD22 LEU 400 HD22 LEU 400 9.042 4.721 17.602 244 HD23 LEU 400 HD23 LEU 400 8.907 5.906 18.901 245 H LYS 401 HN LYS 401 3.379 4.828 18.246 246 HA LYS 401 HA LYS 401 3.593 6.021 20.808 247 HB2 LYS 401 HB2 LYS 401 2.583 7.097 18.776 248 HB3 LYS 401 HB1 LYS 401 1.187 6.035 18.974 249 HG2 LYS 401 HG2 LYS 401 0.767 6.945 21.204 250 HG3 LYS 401 HG1 LYS 401 2.210 7.953 21.090 251 HD2 LYS 401 HD2 LYS 401 1.235 9.121 19.139 252 HD3 LYS 401 HD1 LYS 401 -0.218 8.129 19.281 253 HE2 LYS 401 HE2 LYS 401 -0.617 9.020 21.544 254 HE3 LYS 401 HE1 LYS 401 0.845 9.998 21.420 255 HZ1 LYS 401 HZ1 LYS 401 -1.740 10.567 20.456 256 HZ2 LYS 401 HZ2 LYS 401 -0.662 10.500 19.145 257 HZ3 LYS 401 HZ3 LYS 401 -0.362 11.554 20.444 258 H HIS 402 HN HIS 402 2.479 5.677 22.686 259 HA HIS 402 HA HIS 402 1.580 3.098 23.301 260 HB2 HIS 402 HB2 HIS 402 1.050 5.746 24.667 261 HB3 HIS 402 HB1 HIS 402 0.617 4.180 25.356 262 HD1 HIS 402 HD1 HIS 402 2.609 2.545 25.945 263 HD2 HIS 402 HD2 HIS 402 3.788 6.384 24.821 264 HE1 HIS 402 HE1 HIS 402 5.040 2.775 26.618 265 HE2 HIS 402 HE2 HIS 402 5.774 5.109 25.940 266 H HIS 403 HN HIS 403 -0.228 6.015 22.407 267 HA HIS 403 HA HIS 403 -2.800 4.753 22.703 268 HB2 HIS 403 HB2 HIS 403 -2.397 7.227 22.921 269 HB3 HIS 403 HB1 HIS 403 -2.124 7.275 21.179 270 HD1 HIS 403 HD1 HIS 403 -4.174 6.711 19.627 271 HD2 HIS 403 HD2 HIS 403 -5.101 6.969 23.684 272 HE1 HIS 403 HE1 HIS 403 -6.699 6.846 19.778 273 HE2 HIS 403 HE2 HIS 403 -7.280 7.003 22.244 274 H HIS 404 HN HIS 404 -3.929 3.635 21.225 275 HA HIS 404 HA HIS 404 -2.848 3.457 18.462 276 HB2 HIS 404 HB2 HIS 404 -4.300 1.385 20.127 277 HB3 HIS 404 HB1 HIS 404 -3.890 1.192 18.421 278 HD1 HIS 404 HD1 HIS 404 -2.357 1.299 21.842 279 HD2 HIS 404 HD2 HIS 404 -1.104 0.826 17.894 280 HE1 HIS 404 HE1 HIS 404 0.049 0.512 21.943 281 HE2 HIS 404 HE2 HIS 404 0.827 0.219 19.543 282 H ALA 405 HN ALA 405 -4.228 3.661 16.765 283 HA ALA 405 HA ALA 405 -6.728 5.002 17.259 284 HB1 ALA 405 HB1 ALA 405 -5.428 4.052 14.694 285 HB2 ALA 405 HB2 ALA 405 -5.363 5.682 15.367 286 HB3 ALA 405 HB3 ALA 405 -6.892 5.033 14.775 287 H GLY 406 HN GLY 406 -5.711 1.799 16.194 288 HA2 GLY 406 HA2 GLY 406 -8.232 0.829 15.368 289 HA3 GLY 406 HA1 GLY 406 -6.875 -0.164 15.893 290 H TYR 407 HN TYR 407 -6.653 0.966 18.524 291 HA TYR 407 HA TYR 407 -8.692 -0.589 19.847 292 HB2 TYR 407 HB2 TYR 407 -6.387 -0.561 20.690 293 HB3 TYR 407 HB1 TYR 407 -6.507 1.174 20.983 294 HD1 TYR 407 HD1 TYR 407 -7.990 -2.122 21.907 295 HD2 TYR 407 HD2 TYR 407 -7.513 2.014 22.964 296 HE1 TYR 407 HE1 TYR 407 -9.020 -2.568 24.118 297 HE2 TYR 407 HE2 TYR 407 -8.542 1.568 25.176 298 HH TYR 407 HH TYR 407 -8.866 -0.371 26.692 299 H GLU 408 HN GLU 408 -10.507 0.118 20.809 300 HA GLU 408 HA GLU 408 -11.461 2.751 20.306 301 HB2 GLU 408 HB2 GLU 408 -12.930 0.751 20.543 302 HB3 GLU 408 HB1 GLU 408 -12.535 0.703 22.262 303 HG2 GLU 408 HG2 GLU 408 -13.463 2.965 22.551 304 HG3 GLU 408 HG1 GLU 408 -13.833 3.041 20.829 305 H GLN 409 HN GLN 409 -10.826 4.522 21.327 306 HA GLN 409 HA GLN 409 -9.247 4.670 23.605 307 HB2 GLN 409 HB2 GLN 409 -9.592 6.985 23.540 308 HB3 GLN 409 HB1 GLN 409 -9.934 6.508 21.879 309 HG2 GLN 409 HG2 GLN 409 -12.409 6.294 22.680 310 HG3 GLN 409 HG1 GLN 409 -11.883 7.242 24.066 311 HE21 GLN 409 HE21 GLN 409 -12.826 9.248 23.610 312 HE22 GLN 409 HE22 GLN 409 -12.527 10.132 22.193 313 H PHE 410 HN PHE 410 -9.639 4.947 25.792 314 HA PHE 410 HA PHE 410 -12.248 5.278 26.892 315 HB2 PHE 410 HB2 PHE 410 -12.498 2.947 26.197 316 HB3 PHE 410 HB1 PHE 410 -11.021 2.517 27.062 317 HD1 PHE 410 HD1 PHE 410 -14.424 3.985 27.539 318 HD2 PHE 410 HD2 PHE 410 -11.082 2.003 29.369 319 HE1 PHE 410 HE1 PHE 410 -15.733 3.706 29.627 320 HE2 PHE 410 HE2 PHE 410 -12.390 1.724 31.457 321 HZ PHE 410 HZ PHE 410 -14.715 2.576 31.586 Start of MODEL 9 1 H1 SER 369 HT1 SER 369 20.961 -11.982 -14.583 2 H2 SER 369 HT2 SER 369 20.375 -10.477 -14.056 3 H3 SER 369 HT3 SER 369 21.592 -11.274 -13.177 4 HA SER 369 HA SER 369 22.930 -9.859 -14.287 5 HB2 SER 369 HB2 SER 369 22.380 -11.969 -16.394 6 HB3 SER 369 HB1 SER 369 23.799 -10.928 -16.336 7 HG SER 369 HG SER 369 23.538 -13.230 -15.191 8 H ALA 370 HN ALA 370 20.396 -10.850 -16.604 9 HA ALA 370 HA ALA 370 19.799 -8.065 -17.194 10 HB1 ALA 370 HB1 ALA 370 20.571 -9.848 -19.497 11 HB2 ALA 370 HB2 ALA 370 21.747 -8.806 -18.697 12 HB3 ALA 370 HB3 ALA 370 20.340 -8.100 -19.490 13 H ASP 371 HN ASP 371 17.773 -7.781 -18.010 14 HA ASP 371 HA ASP 371 16.048 -10.183 -18.043 15 HB2 ASP 371 HB2 ASP 371 15.517 -8.204 -16.531 16 HB3 ASP 371 HB1 ASP 371 15.127 -7.304 -17.996 17 H ASP 372 HN ASP 372 15.757 -11.032 -20.004 18 HA ASP 372 HA ASP 372 16.188 -9.691 -22.445 19 HB2 ASP 372 HB2 ASP 372 14.684 -12.223 -21.761 20 HB3 ASP 372 HB1 ASP 372 14.914 -11.662 -23.415 21 H ASP 373 HN ASP 373 13.279 -10.237 -20.511 22 HA ASP 373 HA ASP 373 11.436 -9.258 -22.454 23 HB2 ASP 373 HB2 ASP 373 10.844 -10.714 -20.496 24 HB3 ASP 373 HB1 ASP 373 11.091 -9.315 -19.452 25 H ASN 374 HN ASN 374 10.683 -7.235 -22.832 26 HA ASN 374 HA ASN 374 12.247 -5.000 -22.006 27 HB2 ASN 374 HB2 ASN 374 9.603 -5.229 -23.452 28 HB3 ASN 374 HB1 ASN 374 10.399 -3.687 -23.141 29 HD21 ASN 374 HD21 ASN 374 9.972 -4.681 -25.814 30 HD22 ASN 374 HD22 ASN 374 11.491 -5.010 -26.495 31 H PHE 375 HN PHE 375 11.825 -3.405 -20.514 32 HA PHE 375 HA PHE 375 9.331 -3.461 -18.988 33 HB2 PHE 375 HB2 PHE 375 10.768 -5.026 -17.774 34 HB3 PHE 375 HB1 PHE 375 12.046 -3.813 -17.695 35 HD1 PHE 375 HD1 PHE 375 8.439 -4.326 -16.816 36 HD2 PHE 375 HD2 PHE 375 12.120 -2.322 -15.882 37 HE1 PHE 375 HE1 PHE 375 7.401 -3.371 -14.776 38 HE2 PHE 375 HE2 PHE 375 11.082 -1.365 -13.842 39 HZ PHE 375 HZ PHE 375 8.723 -1.891 -13.290 40 H LEU 376 HN LEU 376 8.671 -1.425 -18.850 41 HA LEU 376 HA LEU 376 10.409 0.785 -19.439 42 HB2 LEU 376 HB2 LEU 376 7.516 0.552 -18.609 43 HB3 LEU 376 HB1 LEU 376 8.307 2.117 -18.788 44 HG LEU 376 HG LEU 376 8.920 1.538 -21.110 45 HD11 LEU 376 HD11 LEU 376 9.095 -0.807 -21.164 46 HD12 LEU 376 HD12 LEU 376 7.593 -0.514 -22.039 47 HD13 LEU 376 HD13 LEU 376 7.546 -1.041 -20.355 48 HD21 LEU 376 HD21 LEU 376 6.012 1.381 -20.291 49 HD22 LEU 376 HD22 LEU 376 6.499 1.430 -21.985 50 HD23 LEU 376 HD23 LEU 376 6.897 2.774 -20.914 51 H VAL 377 HN VAL 377 11.120 2.401 -18.065 52 HA VAL 377 HA VAL 377 10.685 2.043 -15.165 53 HB VAL 377 HB VAL 377 13.413 2.541 -16.357 54 HG11 VAL 377 HG11 VAL 377 12.930 3.312 -14.017 55 HG12 VAL 377 HG12 VAL 377 14.158 2.048 -14.088 56 HG13 VAL 377 HG13 VAL 377 12.509 1.651 -13.598 57 HG21 VAL 377 HG21 VAL 377 13.786 0.124 -15.574 58 HG22 VAL 377 HG22 VAL 377 12.835 0.323 -17.047 59 HG23 VAL 377 HG23 VAL 377 12.030 -0.018 -15.515 60 HA PRO 378 HA PRO 378 10.417 6.465 -16.589 61 HB2 PRO 378 HB2 PRO 378 7.889 6.976 -15.659 62 HB3 PRO 378 HB1 PRO 378 8.208 6.281 -17.262 63 HG2 PRO 378 HG2 PRO 378 7.308 4.935 -14.764 64 HG3 PRO 378 HG1 PRO 378 6.862 4.604 -16.445 65 HD2 PRO 378 HD2 PRO 378 8.703 3.118 -14.995 66 HD3 PRO 378 HD1 PRO 378 8.657 3.191 -16.767 67 H ILE 379 HN ILE 379 10.114 8.419 -15.233 68 HA ILE 379 HA ILE 379 11.447 8.192 -12.753 69 HB ILE 379 HB ILE 379 9.836 10.454 -13.955 70 HG12 ILE 379 HG12 ILE 379 12.830 10.127 -13.626 71 HG13 ILE 379 HG11 ILE 379 11.968 9.641 -15.087 72 HG21 ILE 379 HG21 ILE 379 9.846 10.884 -11.612 73 HG22 ILE 379 HG22 ILE 379 11.205 11.812 -12.245 74 HG23 ILE 379 HG23 ILE 379 11.491 10.275 -11.428 75 HD11 ILE 379 HD11 ILE 379 11.723 12.423 -13.931 76 HD12 ILE 379 HD12 ILE 379 11.277 11.873 -15.547 77 HD13 ILE 379 HD13 ILE 379 12.977 11.998 -15.097 78 H ALA 380 HN ALA 380 8.024 8.644 -13.576 79 HA ALA 380 HA ALA 380 6.848 9.144 -11.182 80 HB1 ALA 380 HB1 ALA 380 5.740 8.653 -13.461 81 HB2 ALA 380 HB2 ALA 380 4.863 8.187 -12.007 82 HB3 ALA 380 HB3 ALA 380 5.719 6.964 -12.944 83 H VAL 381 HN VAL 381 8.697 6.357 -11.973 84 HA VAL 381 HA VAL 381 7.580 4.508 -10.146 85 HB VAL 381 HB VAL 381 10.313 4.748 -11.418 86 HG11 VAL 381 HG11 VAL 381 10.524 2.312 -10.586 87 HG12 VAL 381 HG12 VAL 381 9.250 2.729 -9.440 88 HG13 VAL 381 HG13 VAL 381 10.785 3.594 -9.403 89 HG21 VAL 381 HG21 VAL 381 8.109 2.697 -11.787 90 HG22 VAL 381 HG22 VAL 381 9.545 2.909 -12.785 91 HG23 VAL 381 HG23 VAL 381 8.274 4.128 -12.803 92 H GLY 382 HN GLY 382 10.195 6.892 -9.873 93 HA2 GLY 382 HA2 GLY 382 11.070 6.200 -7.298 94 HA3 GLY 382 HA1 GLY 382 11.259 7.783 -8.046 95 H ALA 383 HN ALA 383 8.559 8.461 -8.384 96 HA ALA 383 HA ALA 383 7.941 9.501 -5.820 97 HB1 ALA 383 HB1 ALA 383 5.768 10.161 -6.925 98 HB2 ALA 383 HB2 ALA 383 6.334 9.326 -8.373 99 HB3 ALA 383 HB3 ALA 383 7.222 10.718 -7.754 100 H ALA 384 HN ALA 384 6.686 6.760 -7.672 101 HA ALA 384 HA ALA 384 4.516 6.117 -5.993 102 HB1 ALA 384 HB1 ALA 384 4.448 4.030 -7.131 103 HB2 ALA 384 HB2 ALA 384 6.165 4.109 -7.532 104 HB3 ALA 384 HB3 ALA 384 5.023 5.202 -8.317 105 H LEU 385 HN LEU 385 7.878 5.013 -5.987 106 HA LEU 385 HA LEU 385 7.582 3.208 -3.810 107 HB2 LEU 385 HB2 LEU 385 9.867 4.453 -5.262 108 HB3 LEU 385 HB1 LEU 385 10.213 3.767 -3.677 109 HG LEU 385 HG LEU 385 8.629 2.126 -5.666 110 HD11 LEU 385 HD11 LEU 385 10.474 2.728 -7.035 111 HD12 LEU 385 HD12 LEU 385 10.897 1.156 -6.355 112 HD13 LEU 385 HD13 LEU 385 11.607 2.625 -5.688 113 HD21 LEU 385 HD21 LEU 385 9.440 0.302 -4.389 114 HD22 LEU 385 HD22 LEU 385 9.087 1.547 -3.189 115 HD23 LEU 385 HD23 LEU 385 10.753 1.258 -3.698 116 H ALA 386 HN ALA 386 8.535 6.603 -3.980 117 HA ALA 386 HA ALA 386 9.279 6.921 -1.297 118 HB1 ALA 386 HB1 ALA 386 9.641 8.566 -3.180 119 HB2 ALA 386 HB2 ALA 386 9.064 9.275 -1.670 120 HB3 ALA 386 HB3 ALA 386 7.945 9.020 -3.009 121 H GLY 387 HN GLY 387 6.130 7.089 -2.886 122 HA2 GLY 387 HA2 GLY 387 4.665 8.085 -0.677 123 HA3 GLY 387 HA1 GLY 387 3.990 7.205 -2.043 124 H VAL 388 HN VAL 388 5.480 4.807 -1.736 125 HA VAL 388 HA VAL 388 3.842 3.419 0.105 126 HB VAL 388 HB VAL 388 6.436 2.587 -1.214 127 HG11 VAL 388 HG11 VAL 388 4.410 1.107 0.470 128 HG12 VAL 388 HG12 VAL 388 6.169 1.089 0.591 129 HG13 VAL 388 HG13 VAL 388 5.371 0.258 -0.744 130 HG21 VAL 388 HG21 VAL 388 4.417 3.209 -2.655 131 HG22 VAL 388 HG22 VAL 388 3.589 1.837 -1.919 132 HG23 VAL 388 HG23 VAL 388 5.044 1.576 -2.879 133 H LEU 389 HN LEU 389 7.209 4.508 0.292 134 HA LEU 389 HA LEU 389 7.799 3.357 2.799 135 HB2 LEU 389 HB2 LEU 389 8.978 5.560 1.136 136 HB3 LEU 389 HB1 LEU 389 9.504 5.420 2.812 137 HG LEU 389 HG LEU 389 9.926 2.918 2.260 138 HD11 LEU 389 HD11 LEU 389 8.638 3.067 0.073 139 HD12 LEU 389 HD12 LEU 389 10.243 2.347 -0.053 140 HD13 LEU 389 HD13 LEU 389 9.983 4.012 -0.563 141 HD21 LEU 389 HD21 LEU 389 11.754 4.444 2.627 142 HD22 LEU 389 HD22 LEU 389 11.550 5.159 1.027 143 HD23 LEU 389 HD23 LEU 389 12.127 3.499 1.187 144 H ILE 390 HN ILE 390 6.330 6.421 1.904 145 HA ILE 390 HA ILE 390 6.398 7.601 4.454 146 HB ILE 390 HB ILE 390 4.488 7.967 2.139 147 HG12 ILE 390 HG12 ILE 390 7.065 8.563 2.057 148 HG13 ILE 390 HG11 ILE 390 5.883 9.718 1.448 149 HG21 ILE 390 HG21 ILE 390 4.720 9.398 4.791 150 HG22 ILE 390 HG22 ILE 390 3.266 8.778 4.006 151 HG23 ILE 390 HG23 ILE 390 4.071 10.214 3.372 152 HD11 ILE 390 HD11 ILE 390 7.727 10.599 3.061 153 HD12 ILE 390 HD12 ILE 390 6.772 9.827 4.330 154 HD13 ILE 390 HD13 ILE 390 6.060 11.100 3.343 155 H LEU 391 HN LEU 391 4.037 5.504 2.876 156 HA LEU 391 HA LEU 391 2.042 5.628 4.837 157 HB2 LEU 391 HB2 LEU 391 2.809 3.598 2.762 158 HB3 LEU 391 HB1 LEU 391 1.507 3.248 3.900 159 HG LEU 391 HG LEU 391 1.475 5.898 2.457 160 HD11 LEU 391 HD11 LEU 391 0.053 4.696 0.685 161 HD12 LEU 391 HD12 LEU 391 0.796 3.206 1.265 162 HD13 LEU 391 HD13 LEU 391 1.801 4.482 0.581 163 HD21 LEU 391 HD21 LEU 391 -0.882 5.729 2.812 164 HD22 LEU 391 HD22 LEU 391 -0.149 5.144 4.306 165 HD23 LEU 391 HD23 LEU 391 -0.784 3.997 3.127 166 H VAL 392 HN VAL 392 4.858 3.526 4.508 167 HA VAL 392 HA VAL 392 4.268 1.819 6.686 168 HB VAL 392 HB VAL 392 6.921 2.544 5.423 169 HG11 VAL 392 HG11 VAL 392 6.124 0.438 7.445 170 HG12 VAL 392 HG12 VAL 392 7.397 1.650 7.590 171 HG13 VAL 392 HG13 VAL 392 7.583 0.305 6.465 172 HG21 VAL 392 HG21 VAL 392 6.609 0.350 4.296 173 HG22 VAL 392 HG22 VAL 392 5.324 1.485 3.882 174 HG23 VAL 392 HG23 VAL 392 5.024 0.201 5.053 175 H LEU 393 HN LEU 393 6.096 4.826 6.424 176 HA LEU 393 HA LEU 393 7.139 4.855 9.048 177 HB2 LEU 393 HB2 LEU 393 6.642 6.906 6.932 178 HB3 LEU 393 HB1 LEU 393 7.012 7.483 8.555 179 HG LEU 393 HG LEU 393 8.767 5.344 7.338 180 HD11 LEU 393 HD11 LEU 393 8.788 6.906 5.551 181 HD12 LEU 393 HD12 LEU 393 10.218 7.285 6.510 182 HD13 LEU 393 HD13 LEU 393 8.771 8.284 6.651 183 HD21 LEU 393 HD21 LEU 393 10.392 6.235 8.837 184 HD22 LEU 393 HD22 LEU 393 8.883 6.225 9.750 185 HD23 LEU 393 HD23 LEU 393 9.482 7.731 9.054 186 H LEU 394 HN LEU 394 4.103 6.068 7.722 187 HA LEU 394 HA LEU 394 3.222 7.397 10.034 188 HB2 LEU 394 HB2 LEU 394 2.185 7.702 7.851 189 HB3 LEU 394 HB1 LEU 394 1.634 6.028 7.872 190 HG LEU 394 HG LEU 394 0.843 7.560 10.282 191 HD11 LEU 394 HD11 LEU 394 -0.300 8.302 7.579 192 HD12 LEU 394 HD12 LEU 394 0.619 9.359 8.650 193 HD13 LEU 394 HD13 LEU 394 -0.976 8.785 9.137 194 HD21 LEU 394 HD21 LEU 394 0.078 5.216 9.482 195 HD22 LEU 394 HD22 LEU 394 -0.934 6.085 8.328 196 HD23 LEU 394 HD23 LEU 394 -1.173 6.320 10.058 197 H ALA 395 HN ALA 395 2.786 4.051 8.934 198 HA ALA 395 HA ALA 395 1.078 3.218 11.024 199 HB1 ALA 395 HB1 ALA 395 3.067 1.564 9.452 200 HB2 ALA 395 HB2 ALA 395 1.423 1.937 8.933 201 HB3 ALA 395 HB3 ALA 395 1.692 0.946 10.367 202 H TYR 396 HN TYR 396 4.584 3.415 10.748 203 HA TYR 396 HA TYR 396 5.273 1.911 13.023 204 HB2 TYR 396 HB2 TYR 396 6.948 2.562 11.387 205 HB3 TYR 396 HB1 TYR 396 6.686 4.269 11.749 206 HD1 TYR 396 HD1 TYR 396 7.770 1.031 13.261 207 HD2 TYR 396 HD2 TYR 396 7.812 5.317 13.554 208 HE1 TYR 396 HE1 TYR 396 9.411 0.889 15.115 209 HE2 TYR 396 HE2 TYR 396 9.453 5.175 15.407 210 HH TYR 396 HH TYR 396 9.993 2.619 17.189 211 H PHE 397 HN PHE 397 4.569 5.355 12.643 212 HA PHE 397 HA PHE 397 5.124 6.142 15.288 213 HB2 PHE 397 HB2 PHE 397 3.439 7.285 13.076 214 HB3 PHE 397 HB1 PHE 397 3.381 8.018 14.677 215 HD1 PHE 397 HD2 PHE 397 5.862 8.260 15.777 216 HD2 PHE 397 HD1 PHE 397 4.970 8.234 11.568 217 HE1 PHE 397 HE2 PHE 397 7.984 9.442 15.315 218 HE2 PHE 397 HE1 PHE 397 7.094 9.411 11.115 219 HZ PHE 397 HZ PHE 397 8.601 10.017 12.986 220 H ILE 398 HN ILE 398 2.073 5.159 13.768 221 HA ILE 398 HA ILE 398 0.528 5.427 16.146 222 HB ILE 398 HB ILE 398 -0.083 3.722 13.713 223 HG12 ILE 398 HG12 ILE 398 0.397 6.021 13.048 224 HG13 ILE 398 HG11 ILE 398 -1.335 5.723 12.944 225 HG21 ILE 398 HG21 ILE 398 -1.771 4.894 15.929 226 HG22 ILE 398 HG22 ILE 398 -1.538 3.187 15.556 227 HG23 ILE 398 HG23 ILE 398 -2.439 4.221 14.446 228 HD11 ILE 398 HD11 ILE 398 0.187 7.396 14.923 229 HD12 ILE 398 HD12 ILE 398 -1.347 6.684 15.417 230 HD13 ILE 398 HD13 ILE 398 -1.284 7.786 14.039 231 H GLY 399 HN GLY 399 2.190 2.701 14.611 232 HA2 GLY 399 HA2 GLY 399 1.211 0.685 16.310 233 HA3 GLY 399 HA1 GLY 399 2.713 0.613 15.390 234 H LEU 400 HN LEU 400 3.882 2.953 16.610 235 HA LEU 400 HA LEU 400 5.188 1.738 18.782 236 HB2 LEU 400 HB2 LEU 400 6.235 3.521 17.472 237 HB3 LEU 400 HB1 LEU 400 5.025 4.673 18.030 238 HG LEU 400 HG LEU 400 5.791 4.359 20.362 239 HD11 LEU 400 HD11 LEU 400 8.123 3.105 20.484 240 HD12 LEU 400 HD12 LEU 400 7.521 2.276 19.048 241 HD13 LEU 400 HD13 LEU 400 6.617 2.188 20.558 242 HD21 LEU 400 HD21 LEU 400 7.776 5.629 20.175 243 HD22 LEU 400 HD22 LEU 400 6.874 6.011 18.709 244 HD23 LEU 400 HD23 LEU 400 8.222 4.873 18.648 245 H LYS 401 HN LYS 401 2.569 4.127 18.648 246 HA LYS 401 HA LYS 401 2.422 4.607 21.431 247 HB2 LYS 401 HB2 LYS 401 1.394 6.057 19.682 248 HB3 LYS 401 HB1 LYS 401 0.193 4.799 19.394 249 HG2 LYS 401 HG2 LYS 401 -0.560 4.948 21.724 250 HG3 LYS 401 HG1 LYS 401 0.671 6.167 22.058 251 HD2 LYS 401 HD2 LYS 401 -0.356 7.662 20.378 252 HD3 LYS 401 HD1 LYS 401 -1.596 6.447 20.063 253 HE2 LYS 401 HE2 LYS 401 -2.464 8.120 21.626 254 HE3 LYS 401 HE1 LYS 401 -2.287 6.571 22.451 255 HZ1 LYS 401 HZ1 LYS 401 -1.230 8.946 23.262 256 HZ2 LYS 401 HZ2 LYS 401 0.095 8.152 22.556 257 HZ3 LYS 401 HZ3 LYS 401 -0.768 7.412 23.818 258 H HIS 402 HN HIS 402 1.422 3.534 23.051 259 HA HIS 402 HA HIS 402 -0.478 1.379 22.431 260 HB2 HIS 402 HB2 HIS 402 1.826 0.378 22.518 261 HB3 HIS 402 HB1 HIS 402 1.931 0.911 24.197 262 HD1 HIS 402 HD1 HIS 402 0.214 -0.167 25.896 263 HD2 HIS 402 HD2 HIS 402 0.222 -1.897 22.104 264 HE1 HIS 402 HE1 HIS 402 -1.030 -2.361 26.108 265 HE2 HIS 402 HE2 HIS 402 -1.033 -3.430 23.805 266 H HIS 403 HN HIS 403 -1.962 1.010 24.023 267 HA HIS 403 HA HIS 403 -2.261 3.075 26.007 268 HB2 HIS 403 HB2 HIS 403 -4.245 2.206 24.919 269 HB3 HIS 403 HB1 HIS 403 -3.857 0.565 25.437 270 HD1 HIS 403 HD1 HIS 403 -4.519 3.962 27.050 271 HD2 HIS 403 HD2 HIS 403 -5.028 -0.097 27.852 272 HE1 HIS 403 HE1 HIS 403 -5.761 3.818 29.252 273 HE2 HIS 403 HE2 HIS 403 -6.079 1.349 29.756 274 H HIS 404 HN HIS 404 -1.587 3.033 28.056 275 HA HIS 404 HA HIS 404 -0.398 0.548 29.115 276 HB2 HIS 404 HB2 HIS 404 -0.176 3.430 30.009 277 HB3 HIS 404 HB1 HIS 404 0.595 2.068 30.820 278 HD1 HIS 404 HD1 HIS 404 2.419 0.733 29.417 279 HD2 HIS 404 HD2 HIS 404 1.147 4.309 27.694 280 HE1 HIS 404 HE1 HIS 404 4.105 1.299 27.614 281 HE2 HIS 404 HE2 HIS 404 3.344 3.476 26.553 282 H ALA 405 HN ALA 405 -1.418 -0.608 30.603 283 HA ALA 405 HA ALA 405 -3.953 0.263 31.668 284 HB1 ALA 405 HB1 ALA 405 -3.332 -2.125 31.009 285 HB2 ALA 405 HB2 ALA 405 -4.144 -1.929 32.562 286 HB3 ALA 405 HB3 ALA 405 -2.400 -2.186 32.505 287 H GLY 406 HN GLY 406 -0.731 0.659 32.586 288 HA2 GLY 406 HA2 GLY 406 -0.874 0.473 35.398 289 HA3 GLY 406 HA1 GLY 406 0.290 1.436 34.495 290 H TYR 407 HN TYR 407 -1.660 3.073 33.150 291 HA TYR 407 HA TYR 407 -2.472 4.802 35.416 292 HB2 TYR 407 HB2 TYR 407 -1.848 5.437 32.525 293 HB3 TYR 407 HB1 TYR 407 -2.518 6.603 33.667 294 HD1 TYR 407 HD2 TYR 407 -1.245 6.994 35.874 295 HD2 TYR 407 HD1 TYR 407 0.487 5.044 32.460 296 HE1 TYR 407 HE2 TYR 407 1.024 7.446 36.765 297 HE2 TYR 407 HE1 TYR 407 2.753 5.494 33.354 298 HH TYR 407 HH TYR 407 3.229 7.468 36.247 299 H GLU 408 HN GLU 408 -4.543 5.365 35.698 300 HA GLU 408 HA GLU 408 -6.516 4.695 33.592 301 HB2 GLU 408 HB2 GLU 408 -6.558 3.827 36.481 302 HB3 GLU 408 HB1 GLU 408 -8.033 3.930 35.519 303 HG2 GLU 408 HG2 GLU 408 -7.092 2.378 33.867 304 HG3 GLU 408 HG1 GLU 408 -5.585 2.291 34.776 305 H GLN 409 HN GLN 409 -8.324 5.996 33.529 306 HA GLN 409 HA GLN 409 -8.402 8.291 35.413 307 HB2 GLN 409 HB2 GLN 409 -8.900 8.504 32.432 308 HB3 GLN 409 HB1 GLN 409 -8.779 9.819 33.599 309 HG2 GLN 409 HG2 GLN 409 -6.531 7.962 32.725 310 HG3 GLN 409 HG1 GLN 409 -6.680 9.685 32.378 311 HE21 GLN 409 HE21 GLN 409 -4.797 7.847 34.192 312 HE22 GLN 409 HE22 GLN 409 -4.674 8.775 35.608 313 H PHE 410 HN PHE 410 -10.412 9.092 35.889 314 HA PHE 410 HA PHE 410 -12.639 8.828 36.425 315 HB2 PHE 410 HB2 PHE 410 -12.659 8.421 33.429 316 HB3 PHE 410 HB1 PHE 410 -14.112 8.654 34.400 317 HD1 PHE 410 HD2 PHE 410 -14.351 10.774 35.774 318 HD2 PHE 410 HD1 PHE 410 -11.294 10.267 32.797 319 HE1 PHE 410 HE2 PHE 410 -14.005 13.228 35.710 320 HE2 PHE 410 HE1 PHE 410 -10.949 12.722 32.734 321 HZ PHE 410 HZ PHE 410 -12.305 14.202 34.191 Start of MODEL 10 1 H1 SER 369 HT1 SER 369 1.111 10.821 -19.358 2 H2 SER 369 HT2 SER 369 1.271 9.975 -17.893 3 H3 SER 369 HT3 SER 369 -0.032 11.040 -18.124 4 HA SER 369 HA SER 369 0.250 8.292 -18.897 5 HB2 SER 369 HB2 SER 369 -2.089 8.310 -18.629 6 HB3 SER 369 HB1 SER 369 -1.552 9.537 -17.486 7 HG SER 369 HG SER 369 -2.376 11.062 -18.722 8 H ALA 370 HN ALA 370 1.685 9.593 -20.773 9 HA ALA 370 HA ALA 370 0.158 10.449 -23.038 10 HB1 ALA 370 HB1 ALA 370 2.224 10.519 -24.233 11 HB2 ALA 370 HB2 ALA 370 2.997 9.411 -23.102 12 HB3 ALA 370 HB3 ALA 370 2.582 11.050 -22.590 13 H ASP 371 HN ASP 371 -0.449 9.358 -24.855 14 HA ASP 371 HA ASP 371 -1.072 6.609 -24.625 15 HB2 ASP 371 HB2 ASP 371 -0.981 8.404 -27.068 16 HB3 ASP 371 HB1 ASP 371 -1.561 6.743 -27.094 17 H ASP 372 HN ASP 372 1.544 8.287 -26.338 18 HA ASP 372 HA ASP 372 2.699 5.750 -27.228 19 HB2 ASP 372 HB2 ASP 372 2.669 7.827 -28.664 20 HB3 ASP 372 HB1 ASP 372 3.826 8.538 -27.541 21 H ASP 373 HN ASP 373 3.784 4.621 -25.739 22 HA ASP 373 HA ASP 373 4.971 5.761 -23.417 23 HB2 ASP 373 HB2 ASP 373 5.233 3.053 -24.730 24 HB3 ASP 373 HB1 ASP 373 6.044 3.469 -23.222 25 H ASN 374 HN ASN 374 7.061 6.318 -22.979 26 HA ASN 374 HA ASN 374 9.172 5.829 -24.934 27 HB2 ASN 374 HB2 ASN 374 7.953 7.973 -25.600 28 HB3 ASN 374 HB1 ASN 374 8.581 8.670 -24.108 29 HD21 ASN 374 HD21 ASN 374 10.046 10.142 -25.191 30 HD22 ASN 374 HD22 ASN 374 11.409 9.589 -26.036 31 H PHE 375 HN PHE 375 11.281 6.788 -24.114 32 HA PHE 375 HA PHE 375 12.884 6.522 -22.461 33 HB2 PHE 375 HB2 PHE 375 10.887 8.398 -21.179 34 HB3 PHE 375 HB1 PHE 375 12.502 8.093 -20.539 35 HD1 PHE 375 HD2 PHE 375 14.518 8.596 -21.975 36 HD2 PHE 375 HD1 PHE 375 10.552 9.864 -23.028 37 HE1 PHE 375 HE2 PHE 375 15.468 10.246 -23.563 38 HE2 PHE 375 HE1 PHE 375 11.501 11.513 -24.616 39 HZ PHE 375 HZ PHE 375 13.959 11.704 -24.884 40 H LEU 376 HN LEU 376 12.749 4.349 -21.902 41 HA LEU 376 HA LEU 376 10.804 3.132 -20.335 42 HB2 LEU 376 HB2 LEU 376 13.012 2.231 -21.592 43 HB3 LEU 376 HB1 LEU 376 13.637 2.249 -19.948 44 HG LEU 376 HG LEU 376 11.329 1.020 -19.405 45 HD11 LEU 376 HD11 LEU 376 10.628 1.322 -21.849 46 HD12 LEU 376 HD12 LEU 376 10.442 -0.294 -21.171 47 HD13 LEU 376 HD13 LEU 376 11.806 0.067 -22.231 48 HD21 LEU 376 HD21 LEU 376 12.469 -1.165 -19.786 49 HD22 LEU 376 HD22 LEU 376 13.529 0.018 -19.021 50 HD23 LEU 376 HD23 LEU 376 13.696 -0.332 -20.741 51 H VAL 377 HN VAL 377 11.867 2.038 -18.092 52 HA VAL 377 HA VAL 377 11.684 2.586 -15.830 53 HB VAL 377 HB VAL 377 13.903 3.632 -15.103 54 HG11 VAL 377 HG11 VAL 377 15.170 1.609 -15.775 55 HG12 VAL 377 HG12 VAL 377 13.918 1.230 -16.958 56 HG13 VAL 377 HG13 VAL 377 13.541 1.204 -15.236 57 HG21 VAL 377 HG21 VAL 377 15.611 3.902 -16.802 58 HG22 VAL 377 HG22 VAL 377 14.222 4.879 -17.280 59 HG23 VAL 377 HG23 VAL 377 14.517 3.323 -18.058 60 HA PRO 378 HA PRO 378 10.143 6.936 -16.620 61 HB2 PRO 378 HB2 PRO 378 7.827 5.871 -15.069 62 HB3 PRO 378 HB1 PRO 378 7.839 6.777 -16.595 63 HG2 PRO 378 HG2 PRO 378 7.289 4.155 -16.520 64 HG3 PRO 378 HG1 PRO 378 8.179 4.884 -17.870 65 HD2 PRO 378 HD2 PRO 378 9.233 3.252 -15.578 66 HD3 PRO 378 HD1 PRO 378 9.741 3.263 -17.282 67 H ILE 379 HN ILE 379 10.202 8.621 -15.159 68 HA ILE 379 HA ILE 379 11.530 8.206 -12.700 69 HB ILE 379 HB ILE 379 10.030 10.602 -13.784 70 HG12 ILE 379 HG12 ILE 379 13.008 10.136 -13.482 71 HG13 ILE 379 HG11 ILE 379 12.128 9.730 -14.956 72 HG21 ILE 379 HG21 ILE 379 10.073 10.904 -11.418 73 HG22 ILE 379 HG22 ILE 379 11.455 11.815 -12.026 74 HG23 ILE 379 HG23 ILE 379 11.698 10.233 -11.287 75 HD11 ILE 379 HD11 ILE 379 11.434 12.032 -15.250 76 HD12 ILE 379 HD12 ILE 379 13.182 12.014 -15.007 77 HD13 ILE 379 HD13 ILE 379 12.112 12.481 -13.685 78 H ALA 380 HN ALA 380 8.139 8.868 -13.499 79 HA ALA 380 HA ALA 380 6.994 9.274 -11.070 80 HB1 ALA 380 HB1 ALA 380 5.483 9.287 -12.856 81 HB2 ALA 380 HB2 ALA 380 5.029 7.822 -11.989 82 HB3 ALA 380 HB3 ALA 380 6.005 7.714 -13.455 83 H VAL 381 HN VAL 381 8.696 6.441 -12.037 84 HA VAL 381 HA VAL 381 7.478 4.557 -10.292 85 HB VAL 381 HB VAL 381 10.202 4.681 -11.596 86 HG11 VAL 381 HG11 VAL 381 10.612 3.386 -9.646 87 HG12 VAL 381 HG12 VAL 381 10.276 2.202 -10.910 88 HG13 VAL 381 HG13 VAL 381 9.028 2.612 -9.732 89 HG21 VAL 381 HG21 VAL 381 8.002 4.260 -12.900 90 HG22 VAL 381 HG22 VAL 381 7.949 2.717 -12.053 91 HG23 VAL 381 HG23 VAL 381 9.305 3.093 -13.115 92 H GLY 382 HN GLY 382 10.268 6.745 -9.925 93 HA2 GLY 382 HA2 GLY 382 11.058 5.864 -7.362 94 HA3 GLY 382 HA1 GLY 382 11.421 7.438 -8.058 95 H ALA 383 HN ALA 383 8.821 8.426 -8.392 96 HA ALA 383 HA ALA 383 8.288 9.444 -5.805 97 HB1 ALA 383 HB1 ALA 383 7.759 10.604 -7.961 98 HB2 ALA 383 HB2 ALA 383 6.414 10.572 -6.820 99 HB3 ALA 383 HB3 ALA 383 6.433 9.464 -8.193 100 H ALA 384 HN ALA 384 6.748 6.914 -7.745 101 HA ALA 384 HA ALA 384 4.525 6.450 -6.073 102 HB1 ALA 384 HB1 ALA 384 4.472 4.208 -7.170 103 HB2 ALA 384 HB2 ALA 384 6.025 4.581 -7.919 104 HB3 ALA 384 HB3 ALA 384 4.600 5.542 -8.317 105 H LEU 385 HN LEU 385 7.753 4.992 -6.149 106 HA LEU 385 HA LEU 385 7.298 3.155 -4.015 107 HB2 LEU 385 HB2 LEU 385 9.687 4.175 -5.484 108 HB3 LEU 385 HB1 LEU 385 9.977 3.404 -3.927 109 HG LEU 385 HG LEU 385 8.186 2.007 -5.927 110 HD11 LEU 385 HD11 LEU 385 11.204 2.163 -6.016 111 HD12 LEU 385 HD12 LEU 385 10.064 2.454 -7.329 112 HD13 LEU 385 HD13 LEU 385 10.306 0.818 -6.718 113 HD21 LEU 385 HD21 LEU 385 8.924 0.043 -4.772 114 HD22 LEU 385 HD22 LEU 385 8.582 1.244 -3.527 115 HD23 LEU 385 HD23 LEU 385 10.248 0.915 -4.000 116 H ALA 386 HN ALA 386 8.595 6.445 -4.138 117 HA ALA 386 HA ALA 386 9.413 6.626 -1.450 118 HB1 ALA 386 HB1 ALA 386 8.411 8.783 -3.321 119 HB2 ALA 386 HB2 ALA 386 10.087 8.278 -3.109 120 HB3 ALA 386 HB3 ALA 386 9.233 9.079 -1.789 121 H GLY 387 HN GLY 387 6.292 7.221 -3.006 122 HA2 GLY 387 HA2 GLY 387 4.966 8.333 -0.766 123 HA3 GLY 387 HA1 GLY 387 4.184 7.558 -2.141 124 H VAL 388 HN VAL 388 5.354 4.999 -1.899 125 HA VAL 388 HA VAL 388 3.609 3.789 -0.029 126 HB VAL 388 HB VAL 388 6.025 2.660 -1.459 127 HG11 VAL 388 HG11 VAL 388 5.562 1.241 0.421 128 HG12 VAL 388 HG12 VAL 388 4.816 0.467 -0.975 129 HG13 VAL 388 HG13 VAL 388 3.820 1.370 0.169 130 HG21 VAL 388 HG21 VAL 388 4.481 1.887 -3.101 131 HG22 VAL 388 HG22 VAL 388 4.022 3.563 -2.800 132 HG23 VAL 388 HG23 VAL 388 3.091 2.251 -2.076 133 H LEU 389 HN LEU 389 7.085 4.475 0.045 134 HA LEU 389 HA LEU 389 7.668 3.146 2.451 135 HB2 LEU 389 HB2 LEU 389 9.203 4.337 0.609 136 HB3 LEU 389 HB1 LEU 389 9.145 5.668 1.761 137 HG LEU 389 HG LEU 389 10.068 2.833 2.324 138 HD11 LEU 389 HD11 LEU 389 12.249 3.908 2.698 139 HD12 LEU 389 HD12 LEU 389 11.550 5.480 2.310 140 HD13 LEU 389 HD13 LEU 389 11.667 4.237 1.065 141 HD21 LEU 389 HD21 LEU 389 9.506 5.187 4.129 142 HD22 LEU 389 HD22 LEU 389 10.767 4.030 4.558 143 HD23 LEU 389 HD23 LEU 389 9.104 3.484 4.362 144 H ILE 390 HN ILE 390 6.449 6.406 1.803 145 HA ILE 390 HA ILE 390 6.705 7.435 4.421 146 HB ILE 390 HB ILE 390 4.795 8.102 2.172 147 HG12 ILE 390 HG12 ILE 390 7.392 8.488 2.047 148 HG13 ILE 390 HG11 ILE 390 6.307 9.782 1.559 149 HG21 ILE 390 HG21 ILE 390 3.656 8.884 4.079 150 HG22 ILE 390 HG22 ILE 390 4.567 10.294 3.538 151 HG23 ILE 390 HG23 ILE 390 5.149 9.339 4.900 152 HD11 ILE 390 HD11 ILE 390 8.298 10.355 3.140 153 HD12 ILE 390 HD12 ILE 390 7.303 9.638 4.405 154 HD13 ILE 390 HD13 ILE 390 6.712 11.033 3.506 155 H LEU 391 HN LEU 391 4.089 5.677 2.796 156 HA LEU 391 HA LEU 391 2.173 5.853 4.842 157 HB2 LEU 391 HB2 LEU 391 2.672 3.913 2.600 158 HB3 LEU 391 HB1 LEU 391 1.379 3.605 3.758 159 HG LEU 391 HG LEU 391 1.571 6.330 2.470 160 HD11 LEU 391 HD11 LEU 391 -0.061 5.384 0.722 161 HD12 LEU 391 HD12 LEU 391 0.523 3.791 1.205 162 HD13 LEU 391 HD13 LEU 391 1.641 4.969 0.517 163 HD21 LEU 391 HD21 LEU 391 -0.725 4.577 3.406 164 HD22 LEU 391 HD22 LEU 391 -0.892 6.208 2.758 165 HD23 LEU 391 HD23 LEU 391 -0.057 5.950 4.286 166 H VAL 392 HN VAL 392 4.766 3.517 4.268 167 HA VAL 392 HA VAL 392 4.110 1.701 6.332 168 HB VAL 392 HB VAL 392 6.786 2.362 5.085 169 HG11 VAL 392 HG11 VAL 392 7.242 1.265 7.153 170 HG12 VAL 392 HG12 VAL 392 7.310 0.000 5.927 171 HG13 VAL 392 HG13 VAL 392 5.883 0.160 6.951 172 HG21 VAL 392 HG21 VAL 392 4.922 1.504 3.593 173 HG22 VAL 392 HG22 VAL 392 4.906 0.039 4.577 174 HG23 VAL 392 HG23 VAL 392 6.349 0.469 3.658 175 H LEU 393 HN LEU 393 6.122 4.605 6.272 176 HA LEU 393 HA LEU 393 7.229 4.370 8.858 177 HB2 LEU 393 HB2 LEU 393 6.794 6.614 6.925 178 HB3 LEU 393 HB1 LEU 393 7.230 7.036 8.579 179 HG LEU 393 HG LEU 393 8.845 4.932 7.129 180 HD11 LEU 393 HD11 LEU 393 9.252 7.925 6.873 181 HD12 LEU 393 HD12 LEU 393 8.705 6.862 5.577 182 HD13 LEU 393 HD13 LEU 393 10.327 6.676 6.244 183 HD21 LEU 393 HD21 LEU 393 9.774 7.101 9.019 184 HD22 LEU 393 HD22 LEU 393 10.534 5.547 8.670 185 HD23 LEU 393 HD23 LEU 393 9.053 5.609 9.622 186 H LEU 394 HN LEU 394 4.217 5.857 7.729 187 HA LEU 394 HA LEU 394 3.452 7.024 10.179 188 HB2 LEU 394 HB2 LEU 394 2.388 7.581 8.043 189 HB3 LEU 394 HB1 LEU 394 1.732 5.951 7.934 190 HG LEU 394 HG LEU 394 1.085 7.330 10.478 191 HD11 LEU 394 HD11 LEU 394 0.850 9.294 9.158 192 HD12 LEU 394 HD12 LEU 394 -0.781 8.639 9.320 193 HD13 LEU 394 HD13 LEU 394 0.124 8.399 7.823 194 HD21 LEU 394 HD21 LEU 394 -1.036 6.270 10.176 195 HD22 LEU 394 HD22 LEU 394 0.147 5.112 9.568 196 HD23 LEU 394 HD23 LEU 394 -0.781 6.097 8.439 197 H ALA 395 HN ALA 395 2.856 3.804 8.805 198 HA ALA 395 HA ALA 395 1.078 2.830 10.726 199 HB1 ALA 395 HB1 ALA 395 3.262 1.162 9.480 200 HB2 ALA 395 HB2 ALA 395 1.859 1.707 8.561 201 HB3 ALA 395 HB3 ALA 395 1.643 0.657 9.961 202 H TYR 396 HN TYR 396 4.634 2.689 10.673 203 HA TYR 396 HA TYR 396 4.907 1.420 13.199 204 HB2 TYR 396 HB2 TYR 396 6.725 1.394 11.579 205 HB3 TYR 396 HB1 TYR 396 6.852 3.152 11.655 206 HD1 TYR 396 HD1 TYR 396 7.035 0.077 13.776 207 HD2 TYR 396 HD2 TYR 396 8.219 4.179 13.291 208 HE1 TYR 396 HE1 TYR 396 8.543 -0.126 15.735 209 HE2 TYR 396 HE2 TYR 396 9.727 3.974 15.249 210 HH TYR 396 HH TYR 396 9.546 1.523 17.461 211 H PHE 397 HN PHE 397 4.681 4.780 12.178 212 HA PHE 397 HA PHE 397 5.531 6.054 14.517 213 HB2 PHE 397 HB2 PHE 397 4.988 7.151 12.307 214 HB3 PHE 397 HB1 PHE 397 3.283 6.998 12.722 215 HD1 PHE 397 HD2 PHE 397 2.457 8.055 14.909 216 HD2 PHE 397 HD1 PHE 397 6.294 8.911 13.179 217 HE1 PHE 397 HE2 PHE 397 2.614 10.116 16.279 218 HE2 PHE 397 HE1 PHE 397 6.453 10.972 14.551 219 HZ PHE 397 HZ PHE 397 4.613 11.575 16.100 220 H ILE 398 HN ILE 398 2.281 4.913 13.597 221 HA ILE 398 HA ILE 398 0.988 5.792 15.959 222 HB ILE 398 HB ILE 398 0.253 3.631 13.965 223 HG12 ILE 398 HG12 ILE 398 -0.951 6.369 14.422 224 HG13 ILE 398 HG11 ILE 398 0.344 6.079 13.260 225 HG21 ILE 398 HG21 ILE 398 -2.055 3.949 15.022 226 HG22 ILE 398 HG22 ILE 398 -1.223 4.737 16.363 227 HG23 ILE 398 HG23 ILE 398 -0.884 3.048 15.984 228 HD11 ILE 398 HD11 ILE 398 -1.010 4.605 11.965 229 HD12 ILE 398 HD12 ILE 398 -2.045 5.983 12.337 230 HD13 ILE 398 HD13 ILE 398 -2.222 4.479 13.240 231 H GLY 399 HN GLY 399 2.502 2.701 15.059 232 HA2 GLY 399 HA2 GLY 399 1.759 1.250 17.355 233 HA3 GLY 399 HA1 GLY 399 3.132 0.888 16.314 234 H LEU 400 HN LEU 400 4.402 3.490 16.722 235 HA LEU 400 HA LEU 400 6.013 2.860 18.939 236 HB2 LEU 400 HB2 LEU 400 6.844 4.267 17.131 237 HB3 LEU 400 HB1 LEU 400 5.641 5.500 17.494 238 HG LEU 400 HG LEU 400 6.651 5.884 19.698 239 HD11 LEU 400 HD11 LEU 400 8.985 4.715 20.009 240 HD12 LEU 400 HD12 LEU 400 8.335 3.514 18.893 241 HD13 LEU 400 HD13 LEU 400 7.519 3.831 20.424 242 HD21 LEU 400 HD21 LEU 400 7.532 6.998 17.587 243 HD22 LEU 400 HD22 LEU 400 8.853 5.829 17.623 244 HD23 LEU 400 HD23 LEU 400 8.646 6.968 18.953 245 H LYS 401 HN LYS 401 3.312 5.137 18.571 246 HA LYS 401 HA LYS 401 3.456 5.867 21.404 247 HB2 LYS 401 HB2 LYS 401 1.648 6.783 19.158 248 HB3 LYS 401 HB1 LYS 401 1.569 7.387 20.814 249 HG2 LYS 401 HG2 LYS 401 3.920 8.131 20.656 250 HG3 LYS 401 HG1 LYS 401 3.991 7.540 18.995 251 HD2 LYS 401 HD2 LYS 401 2.185 9.092 18.357 252 HD3 LYS 401 HD1 LYS 401 2.108 9.686 20.016 253 HE2 LYS 401 HE2 LYS 401 4.447 10.447 19.860 254 HE3 LYS 401 HE1 LYS 401 4.535 9.845 18.205 255 HZ1 LYS 401 HZ1 LYS 401 3.060 11.444 17.456 256 HZ2 LYS 401 HZ2 LYS 401 3.999 12.305 18.581 257 HZ3 LYS 401 HZ3 LYS 401 2.445 11.765 19.003 258 H HIS 402 HN HIS 402 1.805 5.476 22.883 259 HA HIS 402 HA HIS 402 -0.302 3.551 22.088 260 HB2 HIS 402 HB2 HIS 402 1.554 3.331 24.471 261 HB3 HIS 402 HB1 HIS 402 0.107 2.349 24.240 262 HD1 HIS 402 HD1 HIS 402 3.517 2.981 22.746 263 HD2 HIS 402 HD2 HIS 402 0.367 0.281 22.342 264 HE1 HIS 402 HE1 HIS 402 4.363 1.110 21.263 265 HE2 HIS 402 HE2 HIS 402 2.454 -0.544 21.007 266 H HIS 403 HN HIS 403 -2.246 3.845 23.058 267 HA HIS 403 HA HIS 403 -2.675 6.353 24.428 268 HB2 HIS 403 HB2 HIS 403 -5.031 5.783 24.298 269 HB3 HIS 403 HB1 HIS 403 -4.270 5.439 22.744 270 HD1 HIS 403 HD1 HIS 403 -3.597 2.852 22.339 271 HD2 HIS 403 HD2 HIS 403 -6.234 3.570 25.488 272 HE1 HIS 403 HE1 HIS 403 -4.655 0.623 22.910 273 HE2 HIS 403 HE2 HIS 403 -6.265 1.044 24.829 274 H HIS 404 HN HIS 404 -3.139 6.675 26.552 275 HA HIS 404 HA HIS 404 -2.384 4.620 28.415 276 HB2 HIS 404 HB2 HIS 404 -3.580 7.367 28.854 277 HB3 HIS 404 HB1 HIS 404 -2.943 6.325 30.127 278 HD1 HIS 404 HD1 HIS 404 -0.330 5.709 29.920 279 HD2 HIS 404 HD2 HIS 404 -1.639 8.840 27.498 280 HE1 HIS 404 HE1 HIS 404 1.748 6.936 29.150 281 HE2 HIS 404 HE2 HIS 404 0.966 8.848 27.673 282 H ALA 405 HN ALA 405 -3.651 3.301 29.602 283 HA ALA 405 HA ALA 405 -6.428 3.035 28.882 284 HB1 ALA 405 HB1 ALA 405 -5.107 1.040 29.317 285 HB2 ALA 405 HB2 ALA 405 -6.395 1.160 30.515 286 HB3 ALA 405 HB3 ALA 405 -4.744 1.601 30.948 287 H GLY 406 HN GLY 406 -4.736 4.891 31.140 288 HA2 GLY 406 HA2 GLY 406 -6.474 4.869 33.364 289 HA3 GLY 406 HA1 GLY 406 -5.380 6.181 32.934 290 H TYR 407 HN TYR 407 -6.456 6.787 30.387 291 HA TYR 407 HA TYR 407 -9.123 7.882 31.116 292 HB2 TYR 407 HB2 TYR 407 -6.927 9.081 29.411 293 HB3 TYR 407 HB1 TYR 407 -8.556 9.745 29.545 294 HD1 TYR 407 HD2 TYR 407 -9.431 10.412 31.830 295 HD2 TYR 407 HD1 TYR 407 -5.302 9.482 31.103 296 HE1 TYR 407 HE2 TYR 407 -8.803 11.556 33.937 297 HE2 TYR 407 HE1 TYR 407 -4.673 10.624 33.211 298 HH TYR 407 HH TYR 407 -7.125 11.833 35.446 299 H GLU 408 HN GLU 408 -10.778 7.520 29.770 300 HA GLU 408 HA GLU 408 -10.224 6.449 27.064 301 HB2 GLU 408 HB2 GLU 408 -11.983 5.209 29.181 302 HB3 GLU 408 HB1 GLU 408 -12.200 4.869 27.465 303 HG2 GLU 408 HG2 GLU 408 -9.897 4.054 27.299 304 HG3 GLU 408 HG1 GLU 408 -9.602 4.458 28.988 305 H GLN 409 HN GLN 409 -11.800 6.872 25.529 306 HA GLN 409 HA GLN 409 -13.103 9.320 25.642 307 HB2 GLN 409 HB2 GLN 409 -14.450 8.467 23.692 308 HB3 GLN 409 HB1 GLN 409 -12.707 8.282 23.508 309 HG2 GLN 409 HG2 GLN 409 -14.416 6.060 24.638 310 HG3 GLN 409 HG1 GLN 409 -14.185 6.251 22.902 311 HE21 GLN 409 HE21 GLN 409 -13.038 4.396 25.302 312 HE22 GLN 409 HE22 GLN 409 -11.412 4.244 24.840 313 H PHE 410 HN PHE 410 -15.220 9.967 26.014 314 HA PHE 410 HA PHE 410 -17.172 10.009 27.236 315 HB2 PHE 410 HB2 PHE 410 -17.325 7.258 25.988 316 HB3 PHE 410 HB1 PHE 410 -18.670 8.041 26.818 317 HD1 PHE 410 HD2 PHE 410 -19.469 10.312 25.980 318 HD2 PHE 410 HD1 PHE 410 -16.801 7.803 23.734 319 HE1 PHE 410 HE2 PHE 410 -20.020 11.573 23.917 320 HE2 PHE 410 HE1 PHE 410 -17.351 9.065 21.671 321 HZ PHE 410 HZ PHE 410 -18.960 10.949 21.763 Start of MODEL 11 1 H1 SER 369 HT1 SER 369 13.161 14.981 -16.264 2 H2 SER 369 HT2 SER 369 13.809 15.318 -14.729 3 H3 SER 369 HT3 SER 369 13.664 16.555 -15.885 4 HA SER 369 HA SER 369 11.800 15.751 -13.952 5 HB2 SER 369 HB2 SER 369 10.715 17.777 -14.609 6 HB3 SER 369 HB1 SER 369 12.439 18.065 -14.821 7 HG SER 369 HG SER 369 11.083 16.961 -16.977 8 H ALA 370 HN ALA 370 12.286 14.090 -16.582 9 HA ALA 370 HA ALA 370 9.779 14.018 -17.934 10 HB1 ALA 370 HB1 ALA 370 11.865 11.828 -17.732 11 HB2 ALA 370 HB2 ALA 370 11.875 13.128 -18.925 12 HB3 ALA 370 HB3 ALA 370 10.574 11.938 -18.929 13 H ASP 371 HN ASP 371 8.028 12.647 -17.705 14 HA ASP 371 HA ASP 371 7.998 10.745 -15.460 15 HB2 ASP 371 HB2 ASP 371 7.199 12.909 -14.551 16 HB3 ASP 371 HB1 ASP 371 5.937 12.939 -15.782 17 H ASP 372 HN ASP 372 6.811 8.966 -15.881 18 HA ASP 372 HA ASP 372 5.609 7.437 -17.100 19 HB2 ASP 372 HB2 ASP 372 4.001 9.951 -17.566 20 HB3 ASP 372 HB1 ASP 372 3.488 8.368 -18.146 21 H ASP 373 HN ASP 373 7.901 8.386 -18.371 22 HA ASP 373 HA ASP 373 7.524 9.335 -20.992 23 HB2 ASP 373 HB2 ASP 373 9.715 9.298 -19.869 24 HB3 ASP 373 HB1 ASP 373 9.715 7.536 -19.929 25 H ASN 374 HN ASN 374 7.544 6.057 -19.660 26 HA ASN 374 HA ASN 374 6.122 5.096 -22.024 27 HB2 ASN 374 HB2 ASN 374 7.709 3.192 -22.311 28 HB3 ASN 374 HB1 ASN 374 8.419 4.754 -22.714 29 HD21 ASN 374 HD21 ASN 374 10.485 3.364 -22.231 30 HD22 ASN 374 HD22 ASN 374 11.023 3.359 -20.622 31 H PHE 375 HN PHE 375 5.324 2.877 -21.719 32 HA PHE 375 HA PHE 375 4.191 2.537 -19.136 33 HB2 PHE 375 HB2 PHE 375 4.316 0.723 -21.551 34 HB3 PHE 375 HB1 PHE 375 3.432 0.318 -20.080 35 HD1 PHE 375 HD2 PHE 375 1.517 1.723 -19.335 36 HD2 PHE 375 HD1 PHE 375 3.504 2.394 -23.083 37 HE1 PHE 375 HE2 PHE 375 -0.394 3.107 -20.099 38 HE2 PHE 375 HE1 PHE 375 1.594 3.778 -23.847 39 HZ PHE 375 HZ PHE 375 -0.355 4.135 -22.355 40 H LEU 376 HN LEU 376 6.904 1.022 -20.820 41 HA LEU 376 HA LEU 376 7.391 -0.897 -18.718 42 HB2 LEU 376 HB2 LEU 376 8.893 -0.057 -21.199 43 HB3 LEU 376 HB1 LEU 376 9.604 -1.170 -20.028 44 HG LEU 376 HG LEU 376 7.650 -2.662 -20.265 45 HD11 LEU 376 HD11 LEU 376 6.758 -0.470 -22.143 46 HD12 LEU 376 HD12 LEU 376 5.854 -1.243 -20.841 47 HD13 LEU 376 HD13 LEU 376 6.169 -2.123 -22.335 48 HD21 LEU 376 HD21 LEU 376 9.161 -1.859 -22.760 49 HD22 LEU 376 HD22 LEU 376 8.066 -3.241 -22.738 50 HD23 LEU 376 HD23 LEU 376 9.480 -3.220 -21.683 51 H VAL 377 HN VAL 377 8.952 -0.829 -17.146 52 HA VAL 377 HA VAL 377 9.979 0.358 -15.417 53 HB VAL 377 HB VAL 377 11.812 -0.510 -16.682 54 HG11 VAL 377 HG11 VAL 377 11.386 1.892 -18.481 55 HG12 VAL 377 HG12 VAL 377 11.272 0.185 -18.919 56 HG13 VAL 377 HG13 VAL 377 12.840 0.888 -18.525 57 HG21 VAL 377 HG21 VAL 377 13.410 0.801 -15.665 58 HG22 VAL 377 HG22 VAL 377 12.026 1.666 -14.999 59 HG23 VAL 377 HG23 VAL 377 12.839 2.282 -16.438 60 HA PRO 378 HA PRO 378 8.471 4.564 -16.835 61 HB2 PRO 378 HB2 PRO 378 6.359 4.811 -15.102 62 HB3 PRO 378 HB1 PRO 378 6.221 4.038 -16.694 63 HG2 PRO 378 HG2 PRO 378 6.479 2.780 -14.000 64 HG3 PRO 378 HG1 PRO 378 5.496 2.279 -15.386 65 HD2 PRO 378 HD2 PRO 378 7.903 1.109 -14.722 66 HD3 PRO 378 HD1 PRO 378 7.248 1.130 -16.374 67 H ILE 379 HN ILE 379 8.948 6.504 -15.810 68 HA ILE 379 HA ILE 379 10.729 6.429 -13.608 69 HB ILE 379 HB ILE 379 9.227 8.723 -14.892 70 HG12 ILE 379 HG12 ILE 379 12.153 7.950 -15.055 71 HG13 ILE 379 HG11 ILE 379 10.951 7.406 -16.226 72 HG21 ILE 379 HG21 ILE 379 11.067 10.083 -13.730 73 HG22 ILE 379 HG22 ILE 379 11.351 8.656 -12.735 74 HG23 ILE 379 HG23 ILE 379 9.786 9.465 -12.685 75 HD11 ILE 379 HD11 ILE 379 10.383 9.755 -16.734 76 HD12 ILE 379 HD12 ILE 379 12.092 9.436 -17.030 77 HD13 ILE 379 HD13 ILE 379 11.594 10.295 -15.572 78 H ALA 380 HN ALA 380 7.313 7.343 -13.894 79 HA ALA 380 HA ALA 380 6.747 8.360 -11.434 80 HB1 ALA 380 HB1 ALA 380 4.495 7.110 -11.656 81 HB2 ALA 380 HB2 ALA 380 5.130 6.498 -13.184 82 HB3 ALA 380 HB3 ALA 380 4.938 8.232 -12.940 83 H VAL 381 HN VAL 381 7.892 5.178 -12.119 84 HA VAL 381 HA VAL 381 6.838 3.728 -9.977 85 HB VAL 381 HB VAL 381 8.149 2.814 -11.920 86 HG11 VAL 381 HG11 VAL 381 10.611 3.536 -10.321 87 HG12 VAL 381 HG12 VAL 381 9.993 4.614 -11.571 88 HG13 VAL 381 HG13 VAL 381 10.509 2.981 -11.992 89 HG21 VAL 381 HG21 VAL 381 7.675 1.443 -9.931 90 HG22 VAL 381 HG22 VAL 381 9.112 2.086 -9.135 91 HG23 VAL 381 HG23 VAL 381 9.278 1.069 -10.566 92 H GLY 382 HN GLY 382 9.760 5.735 -10.201 93 HA2 GLY 382 HA2 GLY 382 10.738 5.207 -7.602 94 HA3 GLY 382 HA1 GLY 382 11.138 6.614 -8.585 95 H ALA 383 HN ALA 383 8.590 7.739 -8.870 96 HA ALA 383 HA ALA 383 8.365 9.226 -6.478 97 HB1 ALA 383 HB1 ALA 383 6.466 8.922 -8.814 98 HB2 ALA 383 HB2 ALA 383 7.668 10.190 -8.582 99 HB3 ALA 383 HB3 ALA 383 6.263 10.103 -7.521 100 H ALA 384 HN ALA 384 6.489 6.518 -7.784 101 HA ALA 384 HA ALA 384 4.500 6.498 -5.762 102 HB1 ALA 384 HB1 ALA 384 4.193 4.088 -6.528 103 HB2 ALA 384 HB2 ALA 384 5.517 4.375 -7.657 104 HB3 ALA 384 HB3 ALA 384 4.033 5.317 -7.783 105 H LEU 385 HN LEU 385 7.663 4.964 -6.074 106 HA LEU 385 HA LEU 385 7.468 3.211 -3.887 107 HB2 LEU 385 HB2 LEU 385 9.317 3.513 -5.775 108 HB3 LEU 385 HB1 LEU 385 10.084 4.537 -4.562 109 HG LEU 385 HG LEU 385 9.214 1.671 -4.127 110 HD11 LEU 385 HD11 LEU 385 11.175 1.996 -5.661 111 HD12 LEU 385 HD12 LEU 385 11.546 1.099 -4.189 112 HD13 LEU 385 HD13 LEU 385 12.012 2.794 -4.328 113 HD21 LEU 385 HD21 LEU 385 10.813 2.092 -2.059 114 HD22 LEU 385 HD22 LEU 385 9.132 2.609 -1.995 115 HD23 LEU 385 HD23 LEU 385 10.395 3.790 -2.341 116 H ALA 386 HN ALA 386 8.655 6.558 -4.095 117 HA ALA 386 HA ALA 386 9.437 6.817 -1.399 118 HB1 ALA 386 HB1 ALA 386 8.565 8.828 -3.472 119 HB2 ALA 386 HB2 ALA 386 10.200 8.482 -2.909 120 HB3 ALA 386 HB3 ALA 386 9.058 9.307 -1.847 121 H GLY 387 HN GLY 387 6.337 7.250 -3.017 122 HA2 GLY 387 HA2 GLY 387 4.939 8.469 -0.888 123 HA3 GLY 387 HA1 GLY 387 4.206 7.550 -2.199 124 H VAL 388 HN VAL 388 5.516 5.082 -1.714 125 HA VAL 388 HA VAL 388 3.793 3.951 0.229 126 HB VAL 388 HB VAL 388 6.269 2.820 -1.099 127 HG11 VAL 388 HG11 VAL 388 5.143 0.622 -0.449 128 HG12 VAL 388 HG12 VAL 388 4.121 1.571 0.631 129 HG13 VAL 388 HG13 VAL 388 5.867 1.530 0.879 130 HG21 VAL 388 HG21 VAL 388 4.237 3.528 -2.510 131 HG22 VAL 388 HG22 VAL 388 3.355 2.243 -1.685 132 HG23 VAL 388 HG23 VAL 388 4.761 1.852 -2.675 133 H LEU 389 HN LEU 389 7.229 4.813 0.275 134 HA LEU 389 HA LEU 389 7.877 3.700 2.760 135 HB2 LEU 389 HB2 LEU 389 9.344 4.927 0.872 136 HB3 LEU 389 HB1 LEU 389 9.145 6.307 1.951 137 HG LEU 389 HG LEU 389 10.242 3.596 2.731 138 HD11 LEU 389 HD11 LEU 389 12.354 4.833 3.023 139 HD12 LEU 389 HD12 LEU 389 11.571 6.302 2.444 140 HD13 LEU 389 HD13 LEU 389 11.783 4.928 1.358 141 HD21 LEU 389 HD21 LEU 389 10.863 5.063 4.839 142 HD22 LEU 389 HD22 LEU 389 9.252 4.365 4.701 143 HD23 LEU 389 HD23 LEU 389 9.506 6.060 4.298 144 H ILE 390 HN ILE 390 6.445 6.806 1.890 145 HA ILE 390 HA ILE 390 6.553 7.979 4.463 146 HB ILE 390 HB ILE 390 4.715 8.456 2.107 147 HG12 ILE 390 HG12 ILE 390 7.122 8.956 1.771 148 HG13 ILE 390 HG11 ILE 390 6.145 10.421 1.755 149 HG21 ILE 390 HG21 ILE 390 4.314 10.677 3.311 150 HG22 ILE 390 HG22 ILE 390 4.989 9.905 4.743 151 HG23 ILE 390 HG23 ILE 390 3.518 9.264 4.017 152 HD11 ILE 390 HD11 ILE 390 6.794 10.346 4.411 153 HD12 ILE 390 HD12 ILE 390 7.794 11.149 3.196 154 HD13 ILE 390 HD13 ILE 390 8.196 9.521 3.725 155 H LEU 391 HN LEU 391 4.112 6.033 2.822 156 HA LEU 391 HA LEU 391 2.120 6.223 4.786 157 HB2 LEU 391 HB2 LEU 391 2.759 4.224 2.642 158 HB3 LEU 391 HB1 LEU 391 1.436 3.916 3.767 159 HG LEU 391 HG LEU 391 1.572 6.612 2.414 160 HD11 LEU 391 HD11 LEU 391 0.095 5.579 0.597 161 HD12 LEU 391 HD12 LEU 391 0.689 4.012 1.144 162 HD13 LEU 391 HD13 LEU 391 1.817 5.205 0.503 163 HD21 LEU 391 HD21 LEU 391 -0.873 6.436 2.633 164 HD22 LEU 391 HD22 LEU 391 -0.108 6.115 4.190 165 HD23 LEU 391 HD23 LEU 391 -0.717 4.780 3.212 166 H VAL 392 HN VAL 392 4.808 3.980 4.386 167 HA VAL 392 HA VAL 392 4.127 2.208 6.472 168 HB VAL 392 HB VAL 392 6.821 2.912 5.285 169 HG11 VAL 392 HG11 VAL 392 7.439 0.639 6.276 170 HG12 VAL 392 HG12 VAL 392 5.968 0.763 7.241 171 HG13 VAL 392 HG13 VAL 392 7.254 1.953 7.438 172 HG21 VAL 392 HG21 VAL 392 6.498 1.010 3.895 173 HG22 VAL 392 HG22 VAL 392 4.948 1.848 3.857 174 HG23 VAL 392 HG23 VAL 392 5.153 0.421 4.872 175 H LEU 393 HN LEU 393 6.026 5.177 6.407 176 HA LEU 393 HA LEU 393 7.024 5.050 9.039 177 HB2 LEU 393 HB2 LEU 393 6.553 7.230 7.046 178 HB3 LEU 393 HB1 LEU 393 6.901 7.706 8.708 179 HG LEU 393 HG LEU 393 8.679 5.652 7.373 180 HD11 LEU 393 HD11 LEU 393 8.483 7.550 5.775 181 HD12 LEU 393 HD12 LEU 393 10.096 7.430 6.481 182 HD13 LEU 393 HD13 LEU 393 8.967 8.653 7.060 183 HD21 LEU 393 HD21 LEU 393 9.384 7.913 9.256 184 HD22 LEU 393 HD22 LEU 393 10.272 6.419 8.963 185 HD23 LEU 393 HD23 LEU 393 8.747 6.377 9.850 186 H LEU 394 HN LEU 394 4.019 6.368 7.746 187 HA LEU 394 HA LEU 394 3.103 7.534 10.133 188 HB2 LEU 394 HB2 LEU 394 2.109 8.013 7.963 189 HB3 LEU 394 HB1 LEU 394 1.555 6.345 7.837 190 HG LEU 394 HG LEU 394 0.707 7.659 10.351 191 HD11 LEU 394 HD11 LEU 394 0.470 9.638 9.050 192 HD12 LEU 394 HD12 LEU 394 -1.141 8.925 9.154 193 HD13 LEU 394 HD13 LEU 394 -0.187 8.744 7.679 194 HD21 LEU 394 HD21 LEU 394 -0.094 5.433 9.459 195 HD22 LEU 394 HD22 LEU 394 -0.905 6.311 8.163 196 HD23 LEU 394 HD23 LEU 394 -1.397 6.564 9.836 197 H ALA 395 HN ALA 395 2.654 4.283 8.778 198 HA ALA 395 HA ALA 395 0.932 3.333 10.827 199 HB1 ALA 395 HB1 ALA 395 1.547 1.082 9.969 200 HB2 ALA 395 HB2 ALA 395 2.773 1.836 8.949 201 HB3 ALA 395 HB3 ALA 395 1.066 2.191 8.684 202 H TYR 396 HN TYR 396 4.437 3.383 10.433 203 HA TYR 396 HA TYR 396 5.122 1.660 12.545 204 HB2 TYR 396 HB2 TYR 396 6.773 2.370 10.908 205 HB3 TYR 396 HB1 TYR 396 6.616 4.047 11.428 206 HD1 TYR 396 HD1 TYR 396 7.708 0.657 12.482 207 HD2 TYR 396 HD2 TYR 396 7.720 4.854 13.394 208 HE1 TYR 396 HE1 TYR 396 9.400 0.266 14.251 209 HE2 TYR 396 HE2 TYR 396 9.414 4.464 15.163 210 HH TYR 396 HH TYR 396 10.954 1.335 15.572 211 H PHE 397 HN PHE 397 4.609 5.156 12.492 212 HA PHE 397 HA PHE 397 5.273 5.664 15.180 213 HB2 PHE 397 HB2 PHE 397 3.554 7.107 13.169 214 HB3 PHE 397 HB1 PHE 397 3.688 7.699 14.823 215 HD1 PHE 397 HD2 PHE 397 6.267 7.647 15.721 216 HD2 PHE 397 HD1 PHE 397 5.033 8.074 11.615 217 HE1 PHE 397 HE2 PHE 397 8.439 8.682 15.170 218 HE2 PHE 397 HE1 PHE 397 7.212 9.102 11.078 219 HZ PHE 397 HZ PHE 397 8.914 9.411 12.850 220 H ILE 398 HN ILE 398 2.167 4.938 13.648 221 HA ILE 398 HA ILE 398 0.599 5.147 15.988 222 HB ILE 398 HB ILE 398 0.161 3.581 13.426 223 HG12 ILE 398 HG12 ILE 398 -1.161 6.115 14.416 224 HG13 ILE 398 HG11 ILE 398 0.278 6.128 13.396 225 HG21 ILE 398 HG21 ILE 398 -1.602 4.026 15.841 226 HG22 ILE 398 HG22 ILE 398 -1.190 2.499 15.062 227 HG23 ILE 398 HG23 ILE 398 -2.265 3.640 14.252 228 HD11 ILE 398 HD11 ILE 398 -1.877 6.306 12.108 229 HD12 ILE 398 HD12 ILE 398 -2.285 4.686 12.670 230 HD13 ILE 398 HD13 ILE 398 -0.876 4.932 11.637 231 H GLY 399 HN GLY 399 2.293 2.410 14.481 232 HA2 GLY 399 HA2 GLY 399 1.332 0.412 16.228 233 HA3 GLY 399 HA1 GLY 399 2.796 0.312 15.253 234 H LEU 400 HN LEU 400 4.040 2.654 16.395 235 HA LEU 400 HA LEU 400 5.414 1.450 18.526 236 HB2 LEU 400 HB2 LEU 400 6.450 3.204 17.189 237 HB3 LEU 400 HB1 LEU 400 5.246 4.372 17.728 238 HG LEU 400 HG LEU 400 6.044 4.162 20.048 239 HD11 LEU 400 HD11 LEU 400 6.795 1.956 20.310 240 HD12 LEU 400 HD12 LEU 400 8.316 2.848 20.255 241 HD13 LEU 400 HD13 LEU 400 7.743 1.989 18.825 242 HD21 LEU 400 HD21 LEU 400 8.102 5.323 19.785 243 HD22 LEU 400 HD22 LEU 400 7.156 5.712 18.348 244 HD23 LEU 400 HD23 LEU 400 8.452 4.517 18.258 245 H LYS 401 HN LYS 401 2.805 3.846 18.467 246 HA LYS 401 HA LYS 401 2.762 4.309 21.269 247 HB2 LYS 401 HB2 LYS 401 0.650 4.690 19.137 248 HB3 LYS 401 HB1 LYS 401 0.479 5.240 20.803 249 HG2 LYS 401 HG2 LYS 401 2.494 6.633 20.564 250 HG3 LYS 401 HG1 LYS 401 2.694 6.070 18.904 251 HD2 LYS 401 HD2 LYS 401 0.452 7.007 18.349 252 HD3 LYS 401 HD1 LYS 401 0.340 7.643 19.990 253 HE2 LYS 401 HE2 LYS 401 2.586 8.319 18.072 254 HE3 LYS 401 HE1 LYS 401 1.155 9.325 18.302 255 HZ1 LYS 401 HZ1 LYS 401 3.141 9.942 19.671 256 HZ2 LYS 401 HZ2 LYS 401 2.919 8.494 20.533 257 HZ3 LYS 401 HZ3 LYS 401 1.712 9.690 20.549 258 H HIS 402 HN HIS 402 1.682 3.303 22.888 259 HA HIS 402 HA HIS 402 0.879 0.605 22.557 260 HB2 HIS 402 HB2 HIS 402 0.553 2.582 24.819 261 HB3 HIS 402 HB1 HIS 402 -0.008 0.913 24.929 262 HD1 HIS 402 HD1 HIS 402 3.161 2.938 24.506 263 HD2 HIS 402 HD2 HIS 402 2.025 -0.992 25.304 264 HE1 HIS 402 HE1 HIS 402 5.274 1.699 25.150 265 HE2 HIS 402 HE2 HIS 402 4.597 -0.700 25.639 266 H HIS 403 HN HIS 403 -0.891 3.649 22.744 267 HA HIS 403 HA HIS 403 -3.487 2.394 22.803 268 HB2 HIS 403 HB2 HIS 403 -2.643 5.247 22.242 269 HB3 HIS 403 HB1 HIS 403 -4.313 4.711 22.426 270 HD1 HIS 403 HD1 HIS 403 -3.449 6.715 24.459 271 HD2 HIS 403 HD2 HIS 403 -2.781 2.636 25.007 272 HE1 HIS 403 HE1 HIS 403 -3.152 6.364 26.950 273 HE2 HIS 403 HE2 HIS 403 -2.747 3.882 27.298 274 H HIS 404 HN HIS 404 -4.797 1.897 21.128 275 HA HIS 404 HA HIS 404 -3.768 2.389 18.386 276 HB2 HIS 404 HB2 HIS 404 -5.587 0.207 19.439 277 HB3 HIS 404 HB1 HIS 404 -5.147 0.427 17.745 278 HD1 HIS 404 HD1 HIS 404 -2.445 0.383 17.279 279 HD2 HIS 404 HD2 HIS 404 -3.747 -1.302 20.864 280 HE1 HIS 404 HE1 HIS 404 -0.550 -1.075 18.116 281 HE2 HIS 404 HE2 HIS 404 -1.329 -2.110 20.301 282 H ALA 405 HN ALA 405 -5.017 3.405 16.923 283 HA ALA 405 HA ALA 405 -7.325 4.847 17.870 284 HB1 ALA 405 HB1 ALA 405 -6.182 4.649 15.072 285 HB2 ALA 405 HB2 ALA 405 -5.704 5.841 16.281 286 HB3 ALA 405 HB3 ALA 405 -7.348 5.845 15.641 287 H GLY 406 HN GLY 406 -6.816 1.792 16.504 288 HA2 GLY 406 HA2 GLY 406 -9.128 1.485 14.904 289 HA3 GLY 406 HA1 GLY 406 -8.222 0.177 15.658 290 H TYR 407 HN TYR 407 -8.524 0.958 18.353 291 HA TYR 407 HA TYR 407 -11.443 0.569 18.766 292 HB2 TYR 407 HB2 TYR 407 -9.099 -0.519 20.342 293 HB3 TYR 407 HB1 TYR 407 -10.785 -0.640 20.846 294 HD1 TYR 407 HD2 TYR 407 -12.449 -1.810 19.314 295 HD2 TYR 407 HD1 TYR 407 -8.197 -2.029 18.739 296 HE1 TYR 407 HE2 TYR 407 -12.746 -3.811 17.880 297 HE2 TYR 407 HE1 TYR 407 -8.495 -4.031 17.306 298 HH TYR 407 HH TYR 407 -11.735 -5.232 16.477 299 H GLU 408 HN GLU 408 -12.456 1.773 20.282 300 HA GLU 408 HA GLU 408 -10.935 4.052 21.387 301 HB2 GLU 408 HB2 GLU 408 -13.907 3.598 21.006 302 HB3 GLU 408 HB1 GLU 408 -13.204 5.029 21.760 303 HG2 GLU 408 HG2 GLU 408 -13.486 5.702 19.522 304 HG3 GLU 408 HG1 GLU 408 -11.791 5.217 19.571 305 H GLN 409 HN GLN 409 -10.312 3.937 23.402 306 HA GLN 409 HA GLN 409 -10.912 1.933 25.223 307 HB2 GLN 409 HB2 GLN 409 -9.732 3.189 26.808 308 HB3 GLN 409 HB1 GLN 409 -9.086 3.794 25.284 309 HG2 GLN 409 HG2 GLN 409 -10.963 5.599 25.453 310 HG3 GLN 409 HG1 GLN 409 -11.075 5.109 27.138 311 HE21 GLN 409 HE21 GLN 409 -10.266 7.715 26.535 312 HE22 GLN 409 HE22 GLN 409 -8.621 7.895 26.904 313 H PHE 410 HN PHE 410 -12.443 1.628 26.791 314 HA PHE 410 HA PHE 410 -14.909 3.133 26.541 315 HB2 PHE 410 HB2 PHE 410 -14.996 0.715 26.843 316 HB3 PHE 410 HB1 PHE 410 -14.127 0.854 28.373 317 HD1 PHE 410 HD1 PHE 410 -17.244 1.911 26.611 318 HD2 PHE 410 HD2 PHE 410 -15.280 1.330 30.388 319 HE1 PHE 410 HE1 PHE 410 -19.388 2.321 27.789 320 HE2 PHE 410 HE2 PHE 410 -17.423 1.739 31.565 321 HZ PHE 410 HZ PHE 410 -19.478 2.234 30.267 Start of MODEL 12 1 H1 SER 369 HT1 SER 369 16.279 -7.190 -24.150 2 H2 SER 369 HT2 SER 369 17.150 -8.608 -24.493 3 H3 SER 369 HT3 SER 369 16.476 -7.695 -25.757 4 HA SER 369 HA SER 369 18.507 -6.814 -25.948 5 HB2 SER 369 HB2 SER 369 18.668 -4.763 -24.818 6 HB3 SER 369 HB1 SER 369 16.943 -5.111 -24.735 7 HG SER 369 HG SER 369 17.176 -5.751 -22.648 8 H ALA 370 HN ALA 370 20.535 -7.484 -25.623 9 HA ALA 370 HA ALA 370 21.202 -9.310 -23.555 10 HB1 ALA 370 HB1 ALA 370 23.484 -9.188 -24.399 11 HB2 ALA 370 HB2 ALA 370 23.105 -7.720 -25.300 12 HB3 ALA 370 HB3 ALA 370 22.362 -9.255 -25.757 13 H ASP 371 HN ASP 371 21.729 -5.849 -23.958 14 HA ASP 371 HA ASP 371 23.157 -5.694 -21.389 15 HB2 ASP 371 HB2 ASP 371 22.544 -3.524 -23.421 16 HB3 ASP 371 HB1 ASP 371 23.527 -3.337 -21.972 17 H ASP 372 HN ASP 372 21.865 -5.675 -19.649 18 HA ASP 372 HA ASP 372 19.196 -4.503 -19.761 19 HB2 ASP 372 HB2 ASP 372 19.579 -6.624 -18.553 20 HB3 ASP 372 HB1 ASP 372 20.685 -5.793 -17.461 21 H ASP 373 HN ASP 373 18.992 -2.374 -19.537 22 HA ASP 373 HA ASP 373 20.979 -0.679 -18.431 23 HB2 ASP 373 HB2 ASP 373 19.290 1.088 -18.631 24 HB3 ASP 373 HB1 ASP 373 19.335 0.098 -20.089 25 H ASN 374 HN ASN 374 21.109 0.347 -16.456 26 HA ASN 374 HA ASN 374 19.885 -1.036 -14.232 27 HB2 ASN 374 HB2 ASN 374 22.255 -0.180 -14.244 28 HB3 ASN 374 HB1 ASN 374 21.599 1.454 -14.165 29 HD21 ASN 374 HD21 ASN 374 22.401 1.867 -12.001 30 HD22 ASN 374 HD22 ASN 374 21.768 1.065 -10.646 31 H PHE 375 HN PHE 375 18.562 -0.073 -12.630 32 HA PHE 375 HA PHE 375 16.729 1.946 -13.696 33 HB2 PHE 375 HB2 PHE 375 16.635 0.192 -11.232 34 HB3 PHE 375 HB1 PHE 375 15.391 1.369 -11.657 35 HD1 PHE 375 HD2 PHE 375 14.158 1.137 -13.845 36 HD2 PHE 375 HD1 PHE 375 16.754 -1.928 -12.322 37 HE1 PHE 375 HE2 PHE 375 13.122 -0.507 -15.387 38 HE2 PHE 375 HE1 PHE 375 15.718 -3.571 -13.863 39 HZ PHE 375 HZ PHE 375 13.902 -2.861 -15.396 40 H LEU 376 HN LEU 376 18.008 3.813 -13.543 41 HA LEU 376 HA LEU 376 18.324 4.855 -10.787 42 HB2 LEU 376 HB2 LEU 376 20.306 5.042 -13.061 43 HB3 LEU 376 HB1 LEU 376 20.393 6.034 -11.608 44 HG LEU 376 HG LEU 376 20.334 3.000 -11.576 45 HD11 LEU 376 HD11 LEU 376 22.371 3.572 -12.659 46 HD12 LEU 376 HD12 LEU 376 22.804 3.312 -10.969 47 HD13 LEU 376 HD13 LEU 376 22.640 4.952 -11.595 48 HD21 LEU 376 HD21 LEU 376 20.592 5.153 -9.483 49 HD22 LEU 376 HD22 LEU 376 21.463 3.639 -9.242 50 HD23 LEU 376 HD23 LEU 376 19.713 3.624 -9.417 51 H VAL 377 HN VAL 377 18.041 7.078 -10.542 52 HA VAL 377 HA VAL 377 17.086 9.123 -10.961 53 HB VAL 377 HB VAL 377 17.646 8.631 -13.887 54 HG11 VAL 377 HG11 VAL 377 17.833 11.028 -13.982 55 HG12 VAL 377 HG12 VAL 377 17.803 11.158 -12.224 56 HG13 VAL 377 HG13 VAL 377 16.352 10.667 -13.096 57 HG21 VAL 377 HG21 VAL 377 19.534 9.334 -11.629 58 HG22 VAL 377 HG22 VAL 377 19.885 9.761 -13.304 59 HG23 VAL 377 HG23 VAL 377 19.713 8.067 -12.843 60 HA PRO 378 HA PRO 378 13.332 6.816 -12.639 61 HB2 PRO 378 HB2 PRO 378 11.974 6.526 -10.289 62 HB3 PRO 378 HB1 PRO 378 13.186 5.352 -10.844 63 HG2 PRO 378 HG2 PRO 378 13.476 7.572 -8.859 64 HG3 PRO 378 HG1 PRO 378 14.064 5.901 -8.770 65 HD2 PRO 378 HD2 PRO 378 15.682 7.982 -9.486 66 HD3 PRO 378 HD1 PRO 378 15.912 6.336 -10.119 67 H ILE 379 HN ILE 379 11.386 7.827 -13.145 68 HA ILE 379 HA ILE 379 11.144 10.644 -12.315 69 HB ILE 379 HB ILE 379 9.819 9.084 -14.548 70 HG12 ILE 379 HG12 ILE 379 11.838 11.340 -14.674 71 HG13 ILE 379 HG11 ILE 379 12.293 9.636 -14.734 72 HG21 ILE 379 HG21 ILE 379 9.142 11.436 -15.271 73 HG22 ILE 379 HG22 ILE 379 9.591 11.965 -13.651 74 HG23 ILE 379 HG23 ILE 379 8.287 10.797 -13.866 75 HD11 ILE 379 HD11 ILE 379 10.869 9.314 -16.718 76 HD12 ILE 379 HD12 ILE 379 12.064 10.578 -17.009 77 HD13 ILE 379 HD13 ILE 379 10.391 11.011 -16.657 78 H ALA 380 HN ALA 380 8.668 8.238 -13.204 79 HA ALA 380 HA ALA 380 6.980 9.215 -11.016 80 HB1 ALA 380 HB1 ALA 380 5.281 7.624 -12.155 81 HB2 ALA 380 HB2 ALA 380 6.439 7.557 -13.484 82 HB3 ALA 380 HB3 ALA 380 5.737 9.099 -13.005 83 H VAL 381 HN VAL 381 9.049 6.560 -11.781 84 HA VAL 381 HA VAL 381 7.805 4.582 -10.150 85 HB VAL 381 HB VAL 381 10.620 4.869 -11.221 86 HG11 VAL 381 HG11 VAL 381 10.768 2.398 -10.540 87 HG12 VAL 381 HG12 VAL 381 9.383 2.716 -9.494 88 HG13 VAL 381 HG13 VAL 381 10.900 3.577 -9.236 89 HG21 VAL 381 HG21 VAL 381 9.858 2.905 -12.597 90 HG22 VAL 381 HG22 VAL 381 8.940 4.374 -12.918 91 HG23 VAL 381 HG23 VAL 381 8.247 3.105 -11.909 92 H GLY 382 HN GLY 382 10.383 6.956 -9.563 93 HA2 GLY 382 HA2 GLY 382 11.042 6.123 -6.948 94 HA3 GLY 382 HA1 GLY 382 11.333 7.726 -7.613 95 H ALA 383 HN ALA 383 8.635 8.417 -8.165 96 HA ALA 383 HA ALA 383 7.844 9.464 -5.660 97 HB1 ALA 383 HB1 ALA 383 5.840 10.234 -6.837 98 HB2 ALA 383 HB2 ALA 383 6.211 9.166 -8.191 99 HB3 ALA 383 HB3 ALA 383 7.277 10.520 -7.819 100 H ALA 384 HN ALA 384 6.719 6.682 -7.547 101 HA ALA 384 HA ALA 384 4.496 6.022 -5.935 102 HB1 ALA 384 HB1 ALA 384 4.597 3.839 -7.004 103 HB2 ALA 384 HB2 ALA 384 6.251 4.142 -7.533 104 HB3 ALA 384 HB3 ALA 384 4.923 5.090 -8.204 105 H LEU 385 HN LEU 385 7.871 4.924 -5.856 106 HA LEU 385 HA LEU 385 7.539 3.155 -3.647 107 HB2 LEU 385 HB2 LEU 385 9.862 4.346 -5.101 108 HB3 LEU 385 HB1 LEU 385 10.176 3.692 -3.496 109 HG LEU 385 HG LEU 385 8.608 2.015 -5.466 110 HD11 LEU 385 HD11 LEU 385 11.620 2.369 -5.426 111 HD12 LEU 385 HD12 LEU 385 10.537 2.677 -6.784 112 HD13 LEU 385 HD13 LEU 385 10.790 1.027 -6.216 113 HD21 LEU 385 HD21 LEU 385 9.044 1.469 -2.981 114 HD22 LEU 385 HD22 LEU 385 10.717 1.186 -3.465 115 HD23 LEU 385 HD23 LEU 385 9.421 0.212 -4.160 116 H ALA 386 HN ALA 386 8.467 6.559 -3.899 117 HA ALA 386 HA ALA 386 9.196 6.970 -1.215 118 HB1 ALA 386 HB1 ALA 386 9.548 8.561 -3.153 119 HB2 ALA 386 HB2 ALA 386 8.965 9.308 -1.664 120 HB3 ALA 386 HB3 ALA 386 7.848 9.006 -2.996 121 H GLY 387 HN GLY 387 6.050 7.094 -2.832 122 HA2 GLY 387 HA2 GLY 387 4.569 8.112 -0.636 123 HA3 GLY 387 HA1 GLY 387 3.904 7.230 -2.007 124 H VAL 388 HN VAL 388 5.354 4.818 -1.687 125 HA VAL 388 HA VAL 388 3.717 3.465 0.190 126 HB VAL 388 HB VAL 388 6.248 2.554 -1.197 127 HG11 VAL 388 HG11 VAL 388 4.175 1.122 0.476 128 HG12 VAL 388 HG12 VAL 388 5.930 1.106 0.663 129 HG13 VAL 388 HG13 VAL 388 5.181 0.266 -0.695 130 HG21 VAL 388 HG21 VAL 388 4.811 1.619 -2.852 131 HG22 VAL 388 HG22 VAL 388 4.182 3.243 -2.578 132 HG23 VAL 388 HG23 VAL 388 3.377 1.853 -1.852 133 H LEU 389 HN LEU 389 7.099 4.511 0.272 134 HA LEU 389 HA LEU 389 7.767 3.314 2.754 135 HB2 LEU 389 HB2 LEU 389 8.948 5.450 1.033 136 HB3 LEU 389 HB1 LEU 389 9.480 5.407 2.710 137 HG LEU 389 HG LEU 389 9.456 2.831 1.124 138 HD11 LEU 389 HD11 LEU 389 10.672 4.190 -0.402 139 HD12 LEU 389 HD12 LEU 389 11.908 3.406 0.582 140 HD13 LEU 389 HD13 LEU 389 11.461 5.084 0.898 141 HD21 LEU 389 HD21 LEU 389 9.937 3.063 3.641 142 HD22 LEU 389 HD22 LEU 389 11.441 3.855 3.164 143 HD23 LEU 389 HD23 LEU 389 11.132 2.186 2.684 144 H ILE 390 HN ILE 390 6.355 6.448 1.938 145 HA ILE 390 HA ILE 390 6.484 7.593 4.512 146 HB ILE 390 HB ILE 390 4.582 8.039 2.202 147 HG12 ILE 390 HG12 ILE 390 7.149 8.606 2.118 148 HG13 ILE 390 HG11 ILE 390 5.987 9.800 1.555 149 HG21 ILE 390 HG21 ILE 390 3.343 8.817 4.046 150 HG22 ILE 390 HG22 ILE 390 4.169 10.263 3.464 151 HG23 ILE 390 HG23 ILE 390 4.780 9.409 4.881 152 HD11 ILE 390 HD11 ILE 390 6.904 9.832 4.429 153 HD12 ILE 390 HD12 ILE 390 6.261 11.152 3.456 154 HD13 ILE 390 HD13 ILE 390 7.896 10.559 3.169 155 H LEU 391 HN LEU 391 4.034 5.595 2.919 156 HA LEU 391 HA LEU 391 2.064 5.707 4.918 157 HB2 LEU 391 HB2 LEU 391 2.753 3.737 2.754 158 HB3 LEU 391 HB1 LEU 391 1.464 3.368 3.897 159 HG LEU 391 HG LEU 391 1.468 6.058 2.527 160 HD11 LEU 391 HD11 LEU 391 1.717 4.591 0.636 161 HD12 LEU 391 HD12 LEU 391 0.004 4.989 0.748 162 HD13 LEU 391 HD13 LEU 391 0.584 3.424 1.316 163 HD21 LEU 391 HD21 LEU 391 -0.973 5.768 2.771 164 HD22 LEU 391 HD22 LEU 391 -0.165 5.565 4.326 165 HD23 LEU 391 HD23 LEU 391 -0.717 4.152 3.427 166 H VAL 392 HN VAL 392 4.815 3.524 4.467 167 HA VAL 392 HA VAL 392 4.241 1.764 6.607 168 HB VAL 392 HB VAL 392 6.874 2.491 5.303 169 HG11 VAL 392 HG11 VAL 392 7.409 1.534 7.425 170 HG12 VAL 392 HG12 VAL 392 7.540 0.214 6.262 171 HG13 VAL 392 HG13 VAL 392 6.115 0.343 7.294 172 HG21 VAL 392 HG21 VAL 392 6.524 0.551 3.951 173 HG22 VAL 392 HG22 VAL 392 4.997 1.434 3.919 174 HG23 VAL 392 HG23 VAL 392 5.172 0.013 4.949 175 H LEU 393 HN LEU 393 6.160 4.733 6.413 176 HA LEU 393 HA LEU 393 7.251 4.653 9.016 177 HB2 LEU 393 HB2 LEU 393 6.767 6.789 6.973 178 HB3 LEU 393 HB1 LEU 393 7.186 7.300 8.604 179 HG LEU 393 HG LEU 393 8.864 5.165 7.276 180 HD11 LEU 393 HD11 LEU 393 8.758 6.904 5.570 181 HD12 LEU 393 HD12 LEU 393 10.327 6.983 6.374 182 HD13 LEU 393 HD13 LEU 393 9.069 8.152 6.778 183 HD21 LEU 393 HD21 LEU 393 9.059 5.976 9.717 184 HD22 LEU 393 HD22 LEU 393 9.699 7.475 9.040 185 HD23 LEU 393 HD23 LEU 393 10.542 5.951 8.761 186 H LEU 394 HN LEU 394 4.200 6.002 7.801 187 HA LEU 394 HA LEU 394 3.391 7.276 10.185 188 HB2 LEU 394 HB2 LEU 394 2.315 7.686 8.025 189 HB3 LEU 394 HB1 LEU 394 1.719 6.031 7.994 190 HG LEU 394 HG LEU 394 0.999 7.524 10.454 191 HD11 LEU 394 HD11 LEU 394 -0.816 8.799 9.354 192 HD12 LEU 394 HD12 LEU 394 -0.183 8.319 7.778 193 HD13 LEU 394 HD13 LEU 394 0.777 9.353 8.838 194 HD21 LEU 394 HD21 LEU 394 0.166 5.211 9.645 195 HD22 LEU 394 HD22 LEU 394 -0.830 6.112 8.501 196 HD23 LEU 394 HD23 LEU 394 -1.053 6.341 10.236 197 H ALA 395 HN ALA 395 2.891 3.963 8.992 198 HA ALA 395 HA ALA 395 1.165 3.070 11.023 199 HB1 ALA 395 HB1 ALA 395 3.296 1.448 9.607 200 HB2 ALA 395 HB2 ALA 395 1.708 1.811 8.930 201 HB3 ALA 395 HB3 ALA 395 1.842 0.828 10.387 202 H TYR 396 HN TYR 396 4.708 3.074 10.818 203 HA TYR 396 HA TYR 396 5.173 1.839 13.333 204 HB2 TYR 396 HB2 TYR 396 6.831 3.474 11.425 205 HB3 TYR 396 HB1 TYR 396 7.467 3.100 13.027 206 HD1 TYR 396 HD1 TYR 396 5.512 1.241 10.400 207 HD2 TYR 396 HD2 TYR 396 8.889 1.250 13.052 208 HE1 TYR 396 HE1 TYR 396 6.134 -1.024 9.614 209 HE2 TYR 396 HE2 TYR 396 9.508 -1.019 12.270 210 HH TYR 396 HH TYR 396 7.464 -3.014 10.621 211 H PHE 397 HN PHE 397 4.649 5.160 12.321 212 HA PHE 397 HA PHE 397 5.524 6.502 14.614 213 HB2 PHE 397 HB2 PHE 397 4.774 7.532 12.419 214 HB3 PHE 397 HB1 PHE 397 3.115 7.283 12.958 215 HD1 PHE 397 HD2 PHE 397 2.399 8.293 15.206 216 HD2 PHE 397 HD1 PHE 397 6.017 9.390 13.171 217 HE1 PHE 397 HE2 PHE 397 2.525 10.373 16.551 218 HE2 PHE 397 HE1 PHE 397 6.146 11.470 14.517 219 HZ PHE 397 HZ PHE 397 4.399 11.961 16.207 220 H ILE 398 HN ILE 398 2.343 5.095 13.850 221 HA ILE 398 HA ILE 398 1.096 5.865 16.277 222 HB ILE 398 HB ILE 398 0.440 3.653 14.310 223 HG12 ILE 398 HG12 ILE 398 -0.945 6.294 14.830 224 HG13 ILE 398 HG11 ILE 398 0.311 6.099 13.607 225 HG21 ILE 398 HG21 ILE 398 -0.998 4.646 16.778 226 HG22 ILE 398 HG22 ILE 398 -0.554 2.987 16.377 227 HG23 ILE 398 HG23 ILE 398 -1.834 3.800 15.475 228 HD11 ILE 398 HD11 ILE 398 -2.328 4.616 13.740 229 HD12 ILE 398 HD12 ILE 398 -1.041 4.246 12.593 230 HD13 ILE 398 HD13 ILE 398 -1.850 5.811 12.536 231 H GLY 399 HN GLY 399 2.817 2.912 15.286 232 HA2 GLY 399 HA2 GLY 399 2.298 1.372 17.579 233 HA3 GLY 399 HA1 GLY 399 3.675 1.166 16.502 234 H LEU 400 HN LEU 400 4.464 4.041 17.061 235 HA LEU 400 HA LEU 400 6.345 3.514 19.089 236 HB2 LEU 400 HB2 LEU 400 6.663 5.256 17.366 237 HB3 LEU 400 HB1 LEU 400 5.362 6.199 18.083 238 HG LEU 400 HG LEU 400 6.642 6.353 20.200 239 HD11 LEU 400 HD11 LEU 400 8.523 4.567 18.673 240 HD12 LEU 400 HD12 LEU 400 8.025 4.481 20.362 241 HD13 LEU 400 HD13 LEU 400 9.188 5.700 19.850 242 HD21 LEU 400 HD21 LEU 400 8.315 7.173 17.808 243 HD22 LEU 400 HD22 LEU 400 8.297 7.934 19.399 244 HD23 LEU 400 HD23 LEU 400 6.881 8.044 18.353 245 H LYS 401 HN LYS 401 3.214 5.179 19.152 246 HA LYS 401 HA LYS 401 3.343 6.094 21.814 247 HB2 LYS 401 HB2 LYS 401 0.977 5.371 20.072 248 HB3 LYS 401 HB1 LYS 401 0.834 6.139 21.654 249 HG2 LYS 401 HG2 LYS 401 2.221 8.021 20.875 250 HG3 LYS 401 HG1 LYS 401 2.376 7.255 19.294 251 HD2 LYS 401 HD2 LYS 401 -0.067 7.365 18.992 252 HD3 LYS 401 HD1 LYS 401 -0.232 8.124 20.576 253 HE2 LYS 401 HE2 LYS 401 1.154 10.017 19.820 254 HE3 LYS 401 HE1 LYS 401 1.329 9.260 18.236 255 HZ1 LYS 401 HZ1 LYS 401 -0.940 10.650 19.384 256 HZ2 LYS 401 HZ2 LYS 401 -1.318 9.232 18.526 257 HZ3 LYS 401 HZ3 LYS 401 -0.469 10.491 17.763 258 H HIS 402 HN HIS 402 2.202 3.044 20.417 259 HA HIS 402 HA HIS 402 1.668 1.027 21.380 260 HB2 HIS 402 HB2 HIS 402 4.016 1.206 22.154 261 HB3 HIS 402 HB1 HIS 402 3.457 2.038 23.606 262 HD1 HIS 402 HD1 HIS 402 2.477 0.621 25.477 263 HD2 HIS 402 HD2 HIS 402 3.172 -1.575 22.002 264 HE1 HIS 402 HE1 HIS 402 2.121 -1.813 26.084 265 HE2 HIS 402 HE2 HIS 402 2.540 -3.164 23.975 266 H HIS 403 HN HIS 403 0.476 0.002 23.148 267 HA HIS 403 HA HIS 403 -1.296 1.941 24.523 268 HB2 HIS 403 HB2 HIS 403 -1.716 -0.952 23.733 269 HB3 HIS 403 HB1 HIS 403 -2.866 0.004 24.670 270 HD1 HIS 403 HD1 HIS 403 -1.253 -0.145 21.249 271 HD2 HIS 403 HD2 HIS 403 -4.399 1.812 23.161 272 HE1 HIS 403 HE1 HIS 403 -2.554 1.058 19.439 273 HE2 HIS 403 HE2 HIS 403 -4.475 2.256 20.589 274 H HIS 404 HN HIS 404 -1.130 2.137 26.652 275 HA HIS 404 HA HIS 404 0.342 0.074 28.185 276 HB2 HIS 404 HB2 HIS 404 -0.251 2.975 28.824 277 HB3 HIS 404 HB1 HIS 404 0.626 1.862 29.874 278 HD1 HIS 404 HD1 HIS 404 2.819 0.709 28.640 279 HD2 HIS 404 HD2 HIS 404 1.397 4.282 27.032 280 HE1 HIS 404 HE1 HIS 404 4.691 1.649 27.216 281 HE2 HIS 404 HE2 HIS 404 3.839 3.827 26.228 282 H ALA 405 HN ALA 405 -0.758 -1.199 29.513 283 HA ALA 405 HA ALA 405 -3.584 -0.807 29.943 284 HB1 ALA 405 HB1 ALA 405 -1.803 -2.856 31.266 285 HB2 ALA 405 HB2 ALA 405 -2.436 -3.049 29.632 286 HB3 ALA 405 HB3 ALA 405 -3.544 -2.946 31.001 287 H GLY 406 HN GLY 406 -0.770 0.257 31.481 288 HA2 GLY 406 HA2 GLY 406 -1.513 0.184 34.205 289 HA3 GLY 406 HA1 GLY 406 -0.357 1.302 33.489 290 H TYR 407 HN TYR 407 -2.130 2.537 31.634 291 HA TYR 407 HA TYR 407 -3.837 4.102 33.490 292 HB2 TYR 407 HB2 TYR 407 -2.453 4.880 30.913 293 HB3 TYR 407 HB1 TYR 407 -3.628 5.901 31.746 294 HD1 TYR 407 HD2 TYR 407 -3.188 6.515 34.191 295 HD2 TYR 407 HD1 TYR 407 -0.186 4.829 31.621 296 HE1 TYR 407 HE2 TYR 407 -1.418 7.317 35.731 297 HE2 TYR 407 HE1 TYR 407 1.583 5.630 33.163 298 HH TYR 407 HH TYR 407 1.180 6.399 36.177 299 H GLU 408 HN GLU 408 -5.964 4.314 33.090 300 HA GLU 408 HA GLU 408 -7.045 3.359 30.505 301 HB2 GLU 408 HB2 GLU 408 -7.874 2.462 33.266 302 HB3 GLU 408 HB1 GLU 408 -8.954 2.335 31.878 303 HG2 GLU 408 HG2 GLU 408 -7.316 0.953 30.691 304 HG3 GLU 408 HG1 GLU 408 -6.171 1.121 32.019 305 H GLN 409 HN GLN 409 -8.933 4.359 29.836 306 HA GLN 409 HA GLN 409 -9.929 6.609 31.506 307 HB2 GLN 409 HB2 GLN 409 -9.531 6.727 28.499 308 HB3 GLN 409 HB1 GLN 409 -9.986 8.047 29.574 309 HG2 GLN 409 HG2 GLN 409 -7.308 6.609 29.488 310 HG3 GLN 409 HG1 GLN 409 -7.632 8.285 29.048 311 HE21 GLN 409 HE21 GLN 409 -6.092 6.756 31.402 312 HE22 GLN 409 HE22 GLN 409 -6.539 7.677 32.755 313 H PHE 410 HN PHE 410 -12.049 6.587 31.764 314 HA PHE 410 HA PHE 410 -14.229 5.845 31.631 315 HB2 PHE 410 HB2 PHE 410 -13.593 6.317 28.709 316 HB3 PHE 410 HB1 PHE 410 -15.219 6.101 29.360 317 HD1 PHE 410 HD2 PHE 410 -16.199 7.774 30.896 318 HD2 PHE 410 HD1 PHE 410 -12.340 8.351 29.097 319 HE1 PHE 410 HE2 PHE 410 -16.269 10.175 31.514 320 HE2 PHE 410 HE1 PHE 410 -12.411 10.752 29.715 321 HZ PHE 410 HZ PHE 410 -14.375 11.663 30.922 Start of MODEL 13 1 H1 SER 369 HT1 SER 369 19.872 15.457 -27.686 2 H2 SER 369 HT2 SER 369 20.129 13.847 -27.209 3 H3 SER 369 HT3 SER 369 19.376 14.941 -26.149 4 HA SER 369 HA SER 369 17.419 14.289 -26.908 5 HB2 SER 369 HB2 SER 369 17.533 16.240 -28.322 6 HB3 SER 369 HB1 SER 369 18.563 15.406 -29.482 7 HG SER 369 HG SER 369 16.873 14.312 -30.215 8 H ALA 370 HN ALA 370 17.312 12.105 -26.705 9 HA ALA 370 HA ALA 370 17.613 10.507 -29.118 10 HB1 ALA 370 HB1 ALA 370 19.878 10.436 -28.140 11 HB2 ALA 370 HB2 ALA 370 19.096 8.857 -28.078 12 HB3 ALA 370 HB3 ALA 370 19.198 9.849 -26.623 13 H ASP 371 HN ASP 371 16.538 8.492 -28.993 14 HA ASP 371 HA ASP 371 14.776 7.150 -28.382 15 HB2 ASP 371 HB2 ASP 371 16.028 7.759 -25.703 16 HB3 ASP 371 HB1 ASP 371 14.668 6.654 -25.880 17 H ASP 372 HN ASP 372 14.214 9.934 -28.801 18 HA ASP 372 HA ASP 372 12.480 10.938 -26.772 19 HB2 ASP 372 HB2 ASP 372 12.805 11.595 -29.701 20 HB3 ASP 372 HB1 ASP 372 11.672 12.440 -28.648 21 H ASP 373 HN ASP 373 12.127 8.568 -29.231 22 HA ASP 373 HA ASP 373 9.360 8.745 -29.752 23 HB2 ASP 373 HB2 ASP 373 11.296 6.429 -29.827 24 HB3 ASP 373 HB1 ASP 373 9.608 6.276 -30.311 25 H ASN 374 HN ASN 374 11.190 7.047 -27.241 26 HA ASN 374 HA ASN 374 8.817 6.962 -25.554 27 HB2 ASN 374 HB2 ASN 374 8.938 4.546 -25.175 28 HB3 ASN 374 HB1 ASN 374 8.621 4.887 -26.876 29 HD21 ASN 374 HD21 ASN 374 9.760 2.403 -26.166 30 HD22 ASN 374 HD22 ASN 374 11.373 2.359 -26.693 31 H PHE 375 HN PHE 375 9.375 6.074 -23.361 32 HA PHE 375 HA PHE 375 12.241 6.337 -22.698 33 HB2 PHE 375 HB2 PHE 375 11.187 8.518 -22.284 34 HB3 PHE 375 HB1 PHE 375 9.977 7.741 -21.259 35 HD1 PHE 375 HD1 PHE 375 13.695 8.030 -21.670 36 HD2 PHE 375 HD2 PHE 375 10.401 7.514 -18.962 37 HE1 PHE 375 HE1 PHE 375 15.256 8.151 -19.747 38 HE2 PHE 375 HE2 PHE 375 11.962 7.636 -17.039 39 HZ PHE 375 HZ PHE 375 14.390 7.954 -17.432 40 H LEU 376 HN LEU 376 12.764 4.446 -21.825 41 HA LEU 376 HA LEU 376 10.824 2.757 -20.510 42 HB2 LEU 376 HB2 LEU 376 13.777 2.532 -21.090 43 HB3 LEU 376 HB1 LEU 376 12.952 1.356 -20.066 44 HG LEU 376 HG LEU 376 11.347 0.895 -21.880 45 HD11 LEU 376 HD11 LEU 376 12.948 3.053 -23.260 46 HD12 LEU 376 HD12 LEU 376 11.198 2.909 -23.101 47 HD13 LEU 376 HD13 LEU 376 12.073 1.838 -24.193 48 HD21 LEU 376 HD21 LEU 376 12.910 -0.262 -23.382 49 HD22 LEU 376 HD22 LEU 376 13.451 -0.415 -21.710 50 HD23 LEU 376 HD23 LEU 376 14.238 0.735 -22.792 51 H VAL 377 HN VAL 377 10.782 2.176 -18.344 52 HA VAL 377 HA VAL 377 10.941 2.492 -16.079 53 HB VAL 377 HB VAL 377 13.639 3.739 -16.597 54 HG11 VAL 377 HG11 VAL 377 14.131 2.634 -14.412 55 HG12 VAL 377 HG12 VAL 377 12.445 2.126 -14.323 56 HG13 VAL 377 HG13 VAL 377 12.853 3.841 -14.293 57 HG21 VAL 377 HG21 VAL 377 14.445 1.323 -16.336 58 HG22 VAL 377 HG22 VAL 377 13.680 1.721 -17.875 59 HG23 VAL 377 HG23 VAL 377 12.777 0.839 -16.643 60 HA PRO 378 HA PRO 378 9.690 6.927 -16.811 61 HB2 PRO 378 HB2 PRO 378 7.408 5.944 -15.146 62 HB3 PRO 378 HB1 PRO 378 7.378 6.897 -16.646 63 HG2 PRO 378 HG2 PRO 378 6.707 4.322 -16.647 64 HG3 PRO 378 HG1 PRO 378 7.621 5.030 -17.990 65 HD2 PRO 378 HD2 PRO 378 8.616 3.307 -15.733 66 HD3 PRO 378 HD1 PRO 378 9.079 3.289 -17.449 67 H ILE 379 HN ILE 379 9.890 8.620 -15.360 68 HA ILE 379 HA ILE 379 11.289 8.153 -12.944 69 HB ILE 379 HB ILE 379 9.873 10.617 -13.984 70 HG12 ILE 379 HG12 ILE 379 12.830 9.979 -13.811 71 HG13 ILE 379 HG11 ILE 379 11.863 9.640 -15.247 72 HG21 ILE 379 HG21 ILE 379 11.449 11.749 -12.289 73 HG22 ILE 379 HG22 ILE 379 11.617 10.154 -11.554 74 HG23 ILE 379 HG23 ILE 379 10.035 10.929 -11.624 75 HD11 ILE 379 HD11 ILE 379 12.900 11.801 -15.558 76 HD12 ILE 379 HD12 ILE 379 12.353 12.345 -13.973 77 HD13 ILE 379 HD13 ILE 379 11.182 12.071 -15.262 78 H ALA 380 HN ALA 380 7.907 8.985 -13.624 79 HA ALA 380 HA ALA 380 6.881 9.489 -11.157 80 HB1 ALA 380 HB1 ALA 380 4.803 8.155 -11.982 81 HB2 ALA 380 HB2 ALA 380 5.722 7.931 -13.473 82 HB3 ALA 380 HB3 ALA 380 5.325 9.555 -12.915 83 H VAL 381 HN VAL 381 8.356 6.560 -12.178 84 HA VAL 381 HA VAL 381 7.093 4.761 -10.390 85 HB VAL 381 HB VAL 381 9.779 4.696 -11.785 86 HG11 VAL 381 HG11 VAL 381 10.085 3.323 -9.871 87 HG12 VAL 381 HG12 VAL 381 9.643 2.210 -11.167 88 HG13 VAL 381 HG13 VAL 381 8.442 2.689 -9.966 89 HG21 VAL 381 HG21 VAL 381 7.924 4.488 -13.329 90 HG22 VAL 381 HG22 VAL 381 7.095 3.358 -12.258 91 HG23 VAL 381 HG23 VAL 381 8.578 2.870 -13.075 92 H GLY 382 HN GLY 382 10.013 6.760 -10.159 93 HA2 GLY 382 HA2 GLY 382 10.958 5.800 -7.705 94 HA3 GLY 382 HA1 GLY 382 11.273 7.406 -8.355 95 H ALA 383 HN ALA 383 8.629 8.357 -8.457 96 HA ALA 383 HA ALA 383 8.291 9.276 -5.794 97 HB1 ALA 383 HB1 ALA 383 6.246 9.396 -8.017 98 HB2 ALA 383 HB2 ALA 383 7.608 10.509 -7.882 99 HB3 ALA 383 HB3 ALA 383 6.378 10.465 -6.619 100 H ALA 384 HN ALA 384 6.737 6.748 -7.698 101 HA ALA 384 HA ALA 384 4.579 6.210 -5.964 102 HB1 ALA 384 HB1 ALA 384 4.366 4.119 -7.146 103 HB2 ALA 384 HB2 ALA 384 6.033 4.217 -7.715 104 HB3 ALA 384 HB3 ALA 384 4.828 5.359 -8.312 105 H LEU 385 HN LEU 385 7.835 4.830 -6.154 106 HA LEU 385 HA LEU 385 7.483 2.975 -4.022 107 HB2 LEU 385 HB2 LEU 385 9.799 4.084 -5.536 108 HB3 LEU 385 HB1 LEU 385 10.153 3.305 -3.995 109 HG LEU 385 HG LEU 385 8.346 1.878 -5.959 110 HD11 LEU 385 HD11 LEU 385 11.357 2.102 -6.124 111 HD12 LEU 385 HD12 LEU 385 10.177 2.439 -7.391 112 HD13 LEU 385 HD13 LEU 385 10.451 0.780 -6.859 113 HD21 LEU 385 HD21 LEU 385 10.478 0.890 -4.042 114 HD22 LEU 385 HD22 LEU 385 9.250 -0.080 -4.855 115 HD23 LEU 385 HD23 LEU 385 8.778 1.079 -3.610 116 H ALA 386 HN ALA 386 8.720 6.277 -4.150 117 HA ALA 386 HA ALA 386 9.561 6.434 -1.466 118 HB1 ALA 386 HB1 ALA 386 8.513 8.682 -3.198 119 HB2 ALA 386 HB2 ALA 386 10.163 8.064 -3.261 120 HB3 ALA 386 HB3 ALA 386 9.567 8.834 -1.792 121 H GLY 387 HN GLY 387 6.450 7.022 -3.028 122 HA2 GLY 387 HA2 GLY 387 5.109 8.187 -0.840 123 HA3 GLY 387 HA1 GLY 387 4.337 7.334 -2.172 124 H VAL 388 HN VAL 388 5.557 4.812 -1.806 125 HA VAL 388 HA VAL 388 3.832 3.662 0.119 126 HB VAL 388 HB VAL 388 6.281 2.510 -1.242 127 HG11 VAL 388 HG11 VAL 388 4.110 1.290 0.475 128 HG12 VAL 388 HG12 VAL 388 5.858 1.136 0.654 129 HG13 VAL 388 HG13 VAL 388 5.033 0.327 -0.679 130 HG21 VAL 388 HG21 VAL 388 4.299 3.319 -2.650 131 HG22 VAL 388 HG22 VAL 388 3.353 2.057 -1.863 132 HG23 VAL 388 HG23 VAL 388 4.749 1.627 -2.850 133 H LEU 389 HN LEU 389 7.283 4.452 0.175 134 HA LEU 389 HA LEU 389 7.909 3.256 2.629 135 HB2 LEU 389 HB2 LEU 389 9.392 4.501 0.751 136 HB3 LEU 389 HB1 LEU 389 9.271 5.832 1.900 137 HG LEU 389 HG LEU 389 10.283 3.040 2.495 138 HD11 LEU 389 HD11 LEU 389 11.770 4.625 1.187 139 HD12 LEU 389 HD12 LEU 389 12.436 4.059 2.718 140 HD13 LEU 389 HD13 LEU 389 11.752 5.681 2.601 141 HD21 LEU 389 HD21 LEU 389 9.283 3.708 4.508 142 HD22 LEU 389 HD22 LEU 389 9.642 5.412 4.244 143 HD23 LEU 389 HD23 LEU 389 10.932 4.300 4.708 144 H ILE 390 HN ILE 390 6.561 6.424 1.849 145 HA ILE 390 HA ILE 390 6.740 7.531 4.450 146 HB ILE 390 HB ILE 390 4.868 8.125 2.147 147 HG12 ILE 390 HG12 ILE 390 7.280 8.552 1.759 148 HG13 ILE 390 HG11 ILE 390 6.356 10.048 1.807 149 HG21 ILE 390 HG21 ILE 390 4.569 10.325 3.415 150 HG22 ILE 390 HG22 ILE 390 5.262 9.501 4.809 151 HG23 ILE 390 HG23 ILE 390 3.750 8.923 4.111 152 HD11 ILE 390 HD11 ILE 390 8.073 10.680 3.213 153 HD12 ILE 390 HD12 ILE 390 8.418 9.028 3.709 154 HD13 ILE 390 HD13 ILE 390 7.067 9.894 4.436 155 H LEU 391 HN LEU 391 4.216 5.695 2.801 156 HA LEU 391 HA LEU 391 2.258 5.896 4.798 157 HB2 LEU 391 HB2 LEU 391 2.819 3.911 2.614 158 HB3 LEU 391 HB1 LEU 391 1.497 3.633 3.748 159 HG LEU 391 HG LEU 391 1.713 6.335 2.420 160 HD11 LEU 391 HD11 LEU 391 0.187 5.383 0.609 161 HD12 LEU 391 HD12 LEU 391 0.703 3.783 1.142 162 HD13 LEU 391 HD13 LEU 391 1.886 4.922 0.499 163 HD21 LEU 391 HD21 LEU 391 -0.626 4.578 3.242 164 HD22 LEU 391 HD22 LEU 391 -0.739 6.238 2.659 165 HD23 LEU 391 HD23 LEU 391 0.036 5.897 4.208 166 H VAL 392 HN VAL 392 4.884 3.595 4.319 167 HA VAL 392 HA VAL 392 4.187 1.802 6.382 168 HB VAL 392 HB VAL 392 6.886 2.469 5.184 169 HG11 VAL 392 HG11 VAL 392 5.988 0.316 7.110 170 HG12 VAL 392 HG12 VAL 392 7.332 1.442 7.291 171 HG13 VAL 392 HG13 VAL 392 7.428 0.136 6.109 172 HG21 VAL 392 HG21 VAL 392 5.047 1.522 3.700 173 HG22 VAL 392 HG22 VAL 392 5.076 0.084 4.720 174 HG23 VAL 392 HG23 VAL 392 6.509 0.541 3.799 175 H LEU 393 HN LEU 393 6.170 4.721 6.346 176 HA LEU 393 HA LEU 393 7.193 4.517 8.966 177 HB2 LEU 393 HB2 LEU 393 6.785 6.739 7.008 178 HB3 LEU 393 HB1 LEU 393 7.169 7.178 8.672 179 HG LEU 393 HG LEU 393 8.848 5.071 7.299 180 HD11 LEU 393 HD11 LEU 393 10.326 6.802 6.405 181 HD12 LEU 393 HD12 LEU 393 9.238 8.061 6.989 182 HD13 LEU 393 HD13 LEU 393 8.714 6.970 5.708 183 HD21 LEU 393 HD21 LEU 393 10.563 5.992 8.799 184 HD22 LEU 393 HD22 LEU 393 9.113 5.585 9.718 185 HD23 LEU 393 HD23 LEU 393 9.455 7.267 9.306 186 H LEU 394 HN LEU 394 4.224 5.976 7.733 187 HA LEU 394 HA LEU 394 3.395 7.149 10.150 188 HB2 LEU 394 HB2 LEU 394 2.397 7.670 7.972 189 HB3 LEU 394 HB1 LEU 394 1.739 6.037 7.886 190 HG LEU 394 HG LEU 394 1.047 7.454 10.390 191 HD11 LEU 394 HD11 LEU 394 0.858 9.408 9.060 192 HD12 LEU 394 HD12 LEU 394 -0.782 8.770 9.193 193 HD13 LEU 394 HD13 LEU 394 0.149 8.518 7.715 194 HD21 LEU 394 HD21 LEU 394 0.127 5.226 9.432 195 HD22 LEU 394 HD22 LEU 394 -0.833 6.241 8.354 196 HD23 LEU 394 HD23 LEU 394 -1.045 6.366 10.099 197 H ALA 395 HN ALA 395 2.818 3.924 8.768 198 HA ALA 395 HA ALA 395 1.000 2.953 10.656 199 HB1 ALA 395 HB1 ALA 395 3.195 1.394 9.270 200 HB2 ALA 395 HB2 ALA 395 1.634 1.786 8.550 201 HB3 ALA 395 HB3 ALA 395 1.715 0.730 9.961 202 H TYR 396 HN TYR 396 4.555 2.758 10.648 203 HA TYR 396 HA TYR 396 4.786 1.458 13.155 204 HB2 TYR 396 HB2 TYR 396 6.625 1.470 11.547 205 HB3 TYR 396 HB1 TYR 396 6.765 3.222 11.692 206 HD1 TYR 396 HD1 TYR 396 6.982 0.040 13.631 207 HD2 TYR 396 HD2 TYR 396 8.020 4.205 13.452 208 HE1 TYR 396 HE1 TYR 396 8.462 -0.243 15.601 209 HE2 TYR 396 HE2 TYR 396 9.499 3.921 15.420 210 HH TYR 396 HH TYR 396 10.167 0.742 16.774 211 H PHE 397 HN PHE 397 4.579 4.836 12.198 212 HA PHE 397 HA PHE 397 5.404 6.066 14.567 213 HB2 PHE 397 HB2 PHE 397 4.870 7.199 12.365 214 HB3 PHE 397 HB1 PHE 397 3.165 7.051 12.785 215 HD1 PHE 397 HD2 PHE 397 2.357 8.068 14.992 216 HD2 PHE 397 HD1 PHE 397 6.186 8.937 13.257 217 HE1 PHE 397 HE2 PHE 397 2.529 10.103 16.399 218 HE2 PHE 397 HE1 PHE 397 6.363 10.974 14.667 219 HZ PHE 397 HZ PHE 397 4.532 11.556 16.237 220 H ILE 398 HN ILE 398 2.175 4.930 13.593 221 HA ILE 398 HA ILE 398 0.831 5.774 15.936 222 HB ILE 398 HB ILE 398 0.173 3.602 13.923 223 HG12 ILE 398 HG12 ILE 398 -1.085 6.320 14.351 224 HG13 ILE 398 HG11 ILE 398 0.246 6.050 13.223 225 HG21 ILE 398 HG21 ILE 398 -1.356 4.670 16.302 226 HG22 ILE 398 HG22 ILE 398 -0.996 2.990 15.905 227 HG23 ILE 398 HG23 ILE 398 -2.162 3.894 14.938 228 HD11 ILE 398 HD11 ILE 398 -2.106 5.911 12.226 229 HD12 ILE 398 HD12 ILE 398 -2.295 4.414 13.139 230 HD13 ILE 398 HD13 ILE 398 -1.044 4.540 11.902 231 H GLY 399 HN GLY 399 2.401 2.709 15.040 232 HA2 GLY 399 HA2 GLY 399 1.634 1.246 17.324 233 HA3 GLY 399 HA1 GLY 399 3.012 0.887 16.287 234 H LEU 400 HN LEU 400 4.327 3.413 16.662 235 HA LEU 400 HA LEU 400 5.869 2.805 18.937 236 HB2 LEU 400 HB2 LEU 400 6.788 4.084 17.066 237 HB3 LEU 400 HB1 LEU 400 5.661 5.402 17.380 238 HG LEU 400 HG LEU 400 6.678 5.756 19.605 239 HD11 LEU 400 HD11 LEU 400 8.221 3.293 18.811 240 HD12 LEU 400 HD12 LEU 400 7.476 3.694 20.356 241 HD13 LEU 400 HD13 LEU 400 8.980 4.478 19.878 242 HD21 LEU 400 HD21 LEU 400 8.915 6.528 18.818 243 HD22 LEU 400 HD22 LEU 400 7.606 7.006 17.738 244 HD23 LEU 400 HD23 LEU 400 8.656 5.654 17.311 245 H LYS 401 HN LYS 401 3.271 5.154 18.398 246 HA LYS 401 HA LYS 401 3.447 6.478 20.872 247 HB2 LYS 401 HB2 LYS 401 2.134 7.263 18.891 248 HB3 LYS 401 HB1 LYS 401 0.949 6.002 19.234 249 HG2 LYS 401 HG2 LYS 401 0.538 6.953 21.455 250 HG3 LYS 401 HG1 LYS 401 1.768 8.187 21.173 251 HD2 LYS 401 HD2 LYS 401 0.462 9.045 19.256 252 HD3 LYS 401 HD1 LYS 401 -0.775 7.824 19.559 253 HE2 LYS 401 HE2 LYS 401 -1.150 8.764 21.813 254 HE3 LYS 401 HE1 LYS 401 0.078 9.992 21.502 255 HZ1 LYS 401 HZ1 LYS 401 -1.251 10.759 19.615 256 HZ2 LYS 401 HZ2 LYS 401 -2.111 10.871 21.076 257 HZ3 LYS 401 HZ3 LYS 401 -2.446 9.613 19.983 258 H HIS 402 HN HIS 402 2.758 5.975 22.879 259 HA HIS 402 HA HIS 402 1.888 3.284 23.418 260 HB2 HIS 402 HB2 HIS 402 2.201 5.670 25.256 261 HB3 HIS 402 HB1 HIS 402 1.924 4.007 25.778 262 HD1 HIS 402 HD1 HIS 402 3.822 2.240 24.798 263 HD2 HIS 402 HD2 HIS 402 4.883 6.268 24.983 264 HE1 HIS 402 HE1 HIS 402 6.351 2.321 24.678 265 HE2 HIS 402 HE2 HIS 402 7.014 4.770 24.791 266 H HIS 403 HN HIS 403 -0.092 2.603 24.202 267 HA HIS 403 HA HIS 403 -2.367 4.194 23.413 268 HB2 HIS 403 HB2 HIS 403 -2.416 1.788 23.050 269 HB3 HIS 403 HB1 HIS 403 -2.177 1.495 24.772 270 HD1 HIS 403 HD1 HIS 403 -4.687 3.207 22.469 271 HD2 HIS 403 HD2 HIS 403 -4.546 1.371 26.210 272 HE1 HIS 403 HE1 HIS 403 -7.072 3.115 23.312 273 HE2 HIS 403 HE2 HIS 403 -7.004 1.998 25.592 274 H HIS 404 HN HIS 404 -3.719 5.342 24.683 275 HA HIS 404 HA HIS 404 -2.906 6.101 27.297 276 HB2 HIS 404 HB2 HIS 404 -5.493 6.518 25.788 277 HB3 HIS 404 HB1 HIS 404 -5.154 7.236 27.363 278 HD1 HIS 404 HD1 HIS 404 -4.346 7.536 23.744 279 HD2 HIS 404 HD2 HIS 404 -3.016 9.186 27.334 280 HE1 HIS 404 HE1 HIS 404 -2.932 9.546 23.128 281 HE2 HIS 404 HE2 HIS 404 -2.114 10.562 25.308 282 H ALA 405 HN ALA 405 -3.560 5.438 29.283 283 HA ALA 405 HA ALA 405 -4.856 2.863 29.477 284 HB1 ALA 405 HB1 ALA 405 -2.965 3.500 30.947 285 HB2 ALA 405 HB2 ALA 405 -4.403 3.052 31.864 286 HB3 ALA 405 HB3 ALA 405 -3.975 4.751 31.673 287 H GLY 406 HN GLY 406 -5.917 6.063 29.351 288 HA2 GLY 406 HA2 GLY 406 -8.075 6.056 31.172 289 HA3 GLY 406 HA1 GLY 406 -7.945 7.078 29.743 290 H TYR 407 HN TYR 407 -7.779 4.943 27.833 291 HA TYR 407 HA TYR 407 -10.593 4.390 27.539 292 HB2 TYR 407 HB2 TYR 407 -9.019 4.922 25.638 293 HB3 TYR 407 HB1 TYR 407 -8.316 3.320 25.864 294 HD1 TYR 407 HD1 TYR 407 -11.493 5.120 25.124 295 HD2 TYR 407 HD2 TYR 407 -9.399 1.370 25.035 296 HE1 TYR 407 HE1 TYR 407 -13.331 4.126 23.787 297 HE2 TYR 407 HE2 TYR 407 -11.236 0.377 23.698 298 HH TYR 407 HH TYR 407 -13.954 1.087 23.496 299 H GLU 408 HN GLU 408 -11.660 2.598 28.106 300 HA GLU 408 HA GLU 408 -10.342 0.554 29.604 301 HB2 GLU 408 HB2 GLU 408 -12.752 1.377 29.895 302 HB3 GLU 408 HB1 GLU 408 -13.140 0.395 28.484 303 HG2 GLU 408 HG2 GLU 408 -11.718 -0.746 30.902 304 HG3 GLU 408 HG1 GLU 408 -13.476 -0.734 30.750 305 H GLN 409 HN GLN 409 -9.246 -1.086 28.787 306 HA GLN 409 HA GLN 409 -8.993 -1.734 26.101 307 HB2 GLN 409 HB2 GLN 409 -7.753 -3.599 26.790 308 HB3 GLN 409 HB1 GLN 409 -7.613 -2.516 28.173 309 HG2 GLN 409 HG2 GLN 409 -9.694 -3.746 29.112 310 HG3 GLN 409 HG1 GLN 409 -9.370 -4.959 27.882 311 HE21 GLN 409 HE21 GLN 409 -8.654 -6.631 29.256 312 HE22 GLN 409 HE22 GLN 409 -7.261 -6.508 30.217 313 H PHE 410 HN PHE 410 -10.101 -2.971 24.674 314 HA PHE 410 HA PHE 410 -12.788 -3.544 24.953 315 HB2 PHE 410 HB2 PHE 410 -12.540 -5.008 23.012 316 HB3 PHE 410 HB1 PHE 410 -11.575 -3.547 22.800 317 HD1 PHE 410 HD2 PHE 410 -9.127 -3.609 22.979 318 HD2 PHE 410 HD1 PHE 410 -11.487 -7.172 23.398 319 HE1 PHE 410 HE2 PHE 410 -7.086 -4.992 22.708 320 HE2 PHE 410 HE1 PHE 410 -9.447 -8.556 23.128 321 HZ PHE 410 HZ PHE 410 -7.246 -7.465 22.782 Start of MODEL 14 1 H1 SER 369 HT1 SER 369 10.650 16.511 -27.675 2 H2 SER 369 HT2 SER 369 9.587 17.210 -28.800 3 H3 SER 369 HT3 SER 369 10.944 18.077 -28.257 4 HA SER 369 HA SER 369 11.009 16.938 -30.561 5 HB2 SER 369 HB2 SER 369 12.893 18.050 -29.235 6 HB3 SER 369 HB1 SER 369 13.298 16.441 -28.646 7 HG SER 369 HG SER 369 13.683 15.797 -30.741 8 H ALA 370 HN ALA 370 10.723 15.020 -31.518 9 HA ALA 370 HA ALA 370 10.251 12.773 -31.740 10 HB1 ALA 370 HB1 ALA 370 12.641 12.458 -29.919 11 HB2 ALA 370 HB2 ALA 370 12.769 12.870 -31.628 12 HB3 ALA 370 HB3 ALA 370 12.068 11.326 -31.143 13 H ASP 371 HN ASP 371 8.528 13.752 -29.985 14 HA ASP 371 HA ASP 371 8.597 12.563 -27.387 15 HB2 ASP 371 HB2 ASP 371 6.285 13.700 -28.992 16 HB3 ASP 371 HB1 ASP 371 6.167 13.167 -27.318 17 H ASP 372 HN ASP 372 7.809 11.365 -30.500 18 HA ASP 372 HA ASP 372 5.951 9.339 -29.782 19 HB2 ASP 372 HB2 ASP 372 7.842 9.641 -32.117 20 HB3 ASP 372 HB1 ASP 372 6.720 8.291 -31.963 21 H ASP 373 HN ASP 373 9.288 9.680 -29.208 22 HA ASP 373 HA ASP 373 10.070 6.940 -29.254 23 HB2 ASP 373 HB2 ASP 373 11.207 9.356 -27.837 24 HB3 ASP 373 HB1 ASP 373 11.961 7.763 -27.798 25 H ASN 374 HN ASN 374 10.147 5.425 -27.624 26 HA ASN 374 HA ASN 374 8.245 5.779 -25.462 27 HB2 ASN 374 HB2 ASN 374 8.423 3.646 -26.723 28 HB3 ASN 374 HB1 ASN 374 10.050 3.429 -26.082 29 HD21 ASN 374 HD21 ASN 374 9.610 1.600 -24.733 30 HD22 ASN 374 HD22 ASN 374 8.555 1.671 -23.406 31 H PHE 375 HN PHE 375 8.713 5.714 -23.254 32 HA PHE 375 HA PHE 375 11.551 6.201 -22.528 33 HB2 PHE 375 HB2 PHE 375 10.110 8.210 -22.319 34 HB3 PHE 375 HB1 PHE 375 9.072 7.325 -21.199 35 HD1 PHE 375 HD1 PHE 375 12.621 8.386 -21.739 36 HD2 PHE 375 HD2 PHE 375 9.613 7.219 -18.906 37 HE1 PHE 375 HE1 PHE 375 14.159 8.947 -19.874 38 HE2 PHE 375 HE2 PHE 375 11.149 7.779 -17.041 39 HZ PHE 375 HZ PHE 375 13.423 8.643 -17.526 40 H LEU 376 HN LEU 376 12.246 4.345 -21.677 41 HA LEU 376 HA LEU 376 10.554 2.557 -20.185 42 HB2 LEU 376 HB2 LEU 376 13.497 2.624 -20.842 43 HB3 LEU 376 HB1 LEU 376 12.843 1.433 -19.716 44 HG LEU 376 HG LEU 376 11.249 0.675 -21.439 45 HD11 LEU 376 HD11 LEU 376 10.839 2.585 -22.767 46 HD12 LEU 376 HD12 LEU 376 11.780 1.540 -23.829 47 HD13 LEU 376 HD13 LEU 376 12.557 2.898 -23.013 48 HD21 LEU 376 HD21 LEU 376 13.006 -0.192 -23.090 49 HD22 LEU 376 HD22 LEU 376 13.299 -0.551 -21.388 50 HD23 LEU 376 HD23 LEU 376 14.182 0.755 -22.179 51 H VAL 377 HN VAL 377 10.675 2.064 -17.977 52 HA VAL 377 HA VAL 377 10.830 2.556 -15.742 53 HB VAL 377 HB VAL 377 13.338 4.104 -16.388 54 HG11 VAL 377 HG11 VAL 377 14.023 3.265 -14.184 55 HG12 VAL 377 HG12 VAL 377 12.523 2.348 -14.049 56 HG13 VAL 377 HG13 VAL 377 12.480 4.110 -14.054 57 HG21 VAL 377 HG21 VAL 377 13.640 2.077 -17.606 58 HG22 VAL 377 HG22 VAL 377 12.859 1.116 -16.350 59 HG23 VAL 377 HG23 VAL 377 14.454 1.812 -16.065 60 HA PRO 378 HA PRO 378 9.045 6.750 -16.692 61 HB2 PRO 378 HB2 PRO 378 6.917 5.656 -14.905 62 HB3 PRO 378 HB1 PRO 378 6.759 6.454 -16.483 63 HG2 PRO 378 HG2 PRO 378 6.392 3.817 -16.197 64 HG3 PRO 378 HG1 PRO 378 7.135 4.502 -17.655 65 HD2 PRO 378 HD2 PRO 378 8.449 3.100 -15.348 66 HD3 PRO 378 HD1 PRO 378 8.841 3.028 -17.080 67 H ILE 379 HN ILE 379 9.017 8.529 -15.328 68 HA ILE 379 HA ILE 379 10.545 8.378 -12.942 69 HB ILE 379 HB ILE 379 8.737 10.629 -13.847 70 HG12 ILE 379 HG12 ILE 379 10.266 9.996 -15.652 71 HG13 ILE 379 HG11 ILE 379 10.800 11.514 -14.934 72 HG21 ILE 379 HG21 ILE 379 11.179 10.516 -12.055 73 HG22 ILE 379 HG22 ILE 379 9.529 10.874 -11.547 74 HG23 ILE 379 HG23 ILE 379 10.400 12.005 -12.585 75 HD11 ILE 379 HD11 ILE 379 12.808 10.324 -15.040 76 HD12 ILE 379 HD12 ILE 379 12.031 8.780 -14.716 77 HD13 ILE 379 HD13 ILE 379 12.281 9.925 -13.405 78 H ALA 380 HN ALA 380 7.077 8.754 -13.542 79 HA ALA 380 HA ALA 380 6.073 9.261 -11.066 80 HB1 ALA 380 HB1 ALA 380 5.073 7.470 -13.278 81 HB2 ALA 380 HB2 ALA 380 4.451 9.024 -12.735 82 HB3 ALA 380 HB3 ALA 380 4.179 7.582 -11.760 83 H VAL 381 HN VAL 381 7.879 6.486 -11.994 84 HA VAL 381 HA VAL 381 6.922 4.651 -10.054 85 HB VAL 381 HB VAL 381 9.547 4.822 -11.553 86 HG11 VAL 381 HG11 VAL 381 8.487 2.777 -9.600 87 HG12 VAL 381 HG12 VAL 381 10.063 3.569 -9.608 88 HG13 VAL 381 HG13 VAL 381 9.680 2.355 -10.828 89 HG21 VAL 381 HG21 VAL 381 7.839 4.307 -13.110 90 HG22 VAL 381 HG22 VAL 381 6.937 3.340 -11.946 91 HG23 VAL 381 HG23 VAL 381 8.437 2.722 -12.632 92 H GLY 382 HN GLY 382 9.582 6.999 -10.060 93 HA2 GLY 382 HA2 GLY 382 10.727 6.270 -7.607 94 HA3 GLY 382 HA1 GLY 382 10.824 7.871 -8.336 95 H ALA 383 HN ALA 383 8.140 8.584 -8.372 96 HA ALA 383 HA ALA 383 7.758 9.513 -5.722 97 HB1 ALA 383 HB1 ALA 383 5.533 10.270 -6.575 98 HB2 ALA 383 HB2 ALA 383 5.869 9.419 -8.083 99 HB3 ALA 383 HB3 ALA 383 6.882 10.776 -7.592 100 H ALA 384 HN ALA 384 6.360 6.838 -7.566 101 HA ALA 384 HA ALA 384 4.341 6.105 -5.746 102 HB1 ALA 384 HB1 ALA 384 4.190 4.075 -6.948 103 HB2 ALA 384 HB2 ALA 384 5.886 4.134 -7.428 104 HB3 ALA 384 HB3 ALA 384 4.728 5.258 -8.139 105 H LEU 385 HN LEU 385 7.705 5.028 -6.046 106 HA LEU 385 HA LEU 385 7.613 3.190 -3.878 107 HB2 LEU 385 HB2 LEU 385 9.752 4.499 -5.492 108 HB3 LEU 385 HB1 LEU 385 10.243 3.800 -3.951 109 HG LEU 385 HG LEU 385 8.527 2.146 -5.821 110 HD11 LEU 385 HD11 LEU 385 10.747 1.236 -6.709 111 HD12 LEU 385 HD12 LEU 385 11.479 2.718 -6.093 112 HD13 LEU 385 HD13 LEU 385 10.231 2.801 -7.337 113 HD21 LEU 385 HD21 LEU 385 9.517 0.330 -4.650 114 HD22 LEU 385 HD22 LEU 385 9.187 1.538 -3.410 115 HD23 LEU 385 HD23 LEU 385 10.824 1.337 -4.032 116 H ALA 386 HN ALA 386 8.504 6.595 -4.091 117 HA ALA 386 HA ALA 386 9.440 6.928 -1.466 118 HB1 ALA 386 HB1 ALA 386 9.722 8.598 -3.277 119 HB2 ALA 386 HB2 ALA 386 9.041 9.306 -1.812 120 HB3 ALA 386 HB3 ALA 386 7.997 8.952 -3.188 121 H GLY 387 HN GLY 387 6.185 6.991 -2.816 122 HA2 GLY 387 HA2 GLY 387 4.851 7.991 -0.522 123 HA3 GLY 387 HA1 GLY 387 4.109 7.074 -1.824 124 H VAL 388 HN VAL 388 5.655 4.721 -1.607 125 HA VAL 388 HA VAL 388 4.208 3.337 0.388 126 HB VAL 388 HB VAL 388 6.676 2.496 -1.142 127 HG11 VAL 388 HG11 VAL 388 6.462 1.025 0.721 128 HG12 VAL 388 HG12 VAL 388 5.686 0.186 -0.624 129 HG13 VAL 388 HG13 VAL 388 4.702 1.002 0.596 130 HG21 VAL 388 HG21 VAL 388 3.790 1.757 -1.668 131 HG22 VAL 388 HG22 VAL 388 5.177 1.561 -2.737 132 HG23 VAL 388 HG23 VAL 388 4.537 3.171 -2.412 133 H LEU 389 HN LEU 389 7.576 4.437 0.233 134 HA LEU 389 HA LEU 389 8.427 3.297 2.662 135 HB2 LEU 389 HB2 LEU 389 9.388 5.536 0.904 136 HB3 LEU 389 HB1 LEU 389 10.085 5.403 2.518 137 HG LEU 389 HG LEU 389 10.505 2.918 1.914 138 HD11 LEU 389 HD11 LEU 389 8.982 3.068 -0.132 139 HD12 LEU 389 HD12 LEU 389 10.561 2.341 -0.405 140 HD13 LEU 389 HD13 LEU 389 10.263 4.005 -0.897 141 HD21 LEU 389 HD21 LEU 389 12.339 4.436 2.098 142 HD22 LEU 389 HD22 LEU 389 11.929 5.223 0.574 143 HD23 LEU 389 HD23 LEU 389 12.551 3.572 0.578 144 H ILE 390 HN ILE 390 6.961 6.433 1.961 145 HA ILE 390 HA ILE 390 7.173 7.423 4.611 146 HB ILE 390 HB ILE 390 5.371 8.150 2.304 147 HG12 ILE 390 HG12 ILE 390 7.726 9.634 3.541 148 HG13 ILE 390 HG11 ILE 390 7.871 8.579 2.135 149 HG21 ILE 390 HG21 ILE 390 5.021 10.281 3.691 150 HG22 ILE 390 HG22 ILE 390 5.657 9.371 5.060 151 HG23 ILE 390 HG23 ILE 390 4.180 8.839 4.259 152 HD11 ILE 390 HD11 ILE 390 7.539 11.149 1.777 153 HD12 ILE 390 HD12 ILE 390 5.847 10.817 2.132 154 HD13 ILE 390 HD13 ILE 390 6.638 10.027 0.767 155 H LEU 391 HN LEU 391 4.657 5.660 2.854 156 HA LEU 391 HA LEU 391 2.647 5.825 4.784 157 HB2 LEU 391 HB2 LEU 391 3.286 3.859 2.615 158 HB3 LEU 391 HB1 LEU 391 1.945 3.536 3.710 159 HG LEU 391 HG LEU 391 2.139 6.251 2.401 160 HD11 LEU 391 HD11 LEU 391 2.349 4.831 0.483 161 HD12 LEU 391 HD12 LEU 391 0.648 5.280 0.575 162 HD13 LEU 391 HD13 LEU 391 1.169 3.685 1.116 163 HD21 LEU 391 HD21 LEU 391 -0.327 6.082 2.600 164 HD22 LEU 391 HD22 LEU 391 0.450 5.825 4.160 165 HD23 LEU 391 HD23 LEU 391 -0.159 4.450 3.241 166 H VAL 392 HN VAL 392 5.263 3.480 4.398 167 HA VAL 392 HA VAL 392 4.461 1.730 6.467 168 HB VAL 392 HB VAL 392 7.205 2.293 5.323 169 HG11 VAL 392 HG11 VAL 392 7.559 1.286 7.460 170 HG12 VAL 392 HG12 VAL 392 7.661 -0.032 6.294 171 HG13 VAL 392 HG13 VAL 392 6.195 0.188 7.249 172 HG21 VAL 392 HG21 VAL 392 5.315 1.363 3.841 173 HG22 VAL 392 HG22 VAL 392 5.392 -0.082 4.850 174 HG23 VAL 392 HG23 VAL 392 6.801 0.416 3.914 175 H LEU 393 HN LEU 393 6.535 4.581 6.420 176 HA LEU 393 HA LEU 393 7.489 4.401 9.069 177 HB2 LEU 393 HB2 LEU 393 7.196 6.591 7.053 178 HB3 LEU 393 HB1 LEU 393 7.560 7.058 8.712 179 HG LEU 393 HG LEU 393 9.199 4.863 7.430 180 HD11 LEU 393 HD11 LEU 393 10.766 6.565 6.575 181 HD12 LEU 393 HD12 LEU 393 9.630 7.836 7.029 182 HD13 LEU 393 HD13 LEU 393 9.200 6.676 5.772 183 HD21 LEU 393 HD21 LEU 393 9.301 5.612 9.887 184 HD22 LEU 393 HD22 LEU 393 10.023 7.103 9.285 185 HD23 LEU 393 HD23 LEU 393 10.832 5.560 9.014 186 H LEU 394 HN LEU 394 4.608 5.939 7.726 187 HA LEU 394 HA LEU 394 3.752 7.166 10.113 188 HB2 LEU 394 HB2 LEU 394 2.869 7.733 7.888 189 HB3 LEU 394 HB1 LEU 394 2.110 6.146 7.793 190 HG LEU 394 HG LEU 394 1.434 7.605 10.277 191 HD11 LEU 394 HD11 LEU 394 0.709 8.735 7.574 192 HD12 LEU 394 HD12 LEU 394 1.438 9.573 8.945 193 HD13 LEU 394 HD13 LEU 394 -0.247 9.055 9.022 194 HD21 LEU 394 HD21 LEU 394 -0.255 6.342 8.093 195 HD22 LEU 394 HD22 LEU 394 -0.823 6.815 9.693 196 HD23 LEU 394 HD23 LEU 394 0.340 5.500 9.525 197 H ALA 395 HN ALA 395 3.102 3.953 8.727 198 HA ALA 395 HA ALA 395 1.141 3.076 10.510 199 HB1 ALA 395 HB1 ALA 395 1.725 0.848 9.851 200 HB2 ALA 395 HB2 ALA 395 3.358 1.344 9.402 201 HB3 ALA 395 HB3 ALA 395 1.978 1.878 8.441 202 H TYR 396 HN TYR 396 4.684 2.777 10.762 203 HA TYR 396 HA TYR 396 4.713 1.505 13.290 204 HB2 TYR 396 HB2 TYR 396 6.677 1.466 11.864 205 HB3 TYR 396 HB1 TYR 396 6.802 3.224 11.932 206 HD1 TYR 396 HD1 TYR 396 6.782 0.178 14.112 207 HD2 TYR 396 HD2 TYR 396 8.029 4.263 13.654 208 HE1 TYR 396 HE1 TYR 396 8.113 0.007 16.198 209 HE2 TYR 396 HE2 TYR 396 9.360 4.092 15.739 210 HH TYR 396 HH TYR 396 10.020 1.102 17.257 211 H PHE 397 HN PHE 397 4.660 4.887 12.306 212 HA PHE 397 HA PHE 397 5.291 6.107 14.735 213 HB2 PHE 397 HB2 PHE 397 4.962 7.231 12.484 214 HB3 PHE 397 HB1 PHE 397 3.228 7.130 12.773 215 HD1 PHE 397 HD2 PHE 397 2.282 8.170 14.913 216 HD2 PHE 397 HD1 PHE 397 6.242 8.955 13.455 217 HE1 PHE 397 HE2 PHE 397 2.390 10.213 16.313 218 HE2 PHE 397 HE1 PHE 397 6.354 11.001 14.857 219 HZ PHE 397 HZ PHE 397 4.425 11.630 16.284 220 H ILE 398 HN ILE 398 2.145 5.024 13.484 221 HA ILE 398 HA ILE 398 0.601 5.897 15.687 222 HB ILE 398 HB ILE 398 0.108 3.729 13.627 223 HG12 ILE 398 HG12 ILE 398 -1.127 6.474 13.922 224 HG13 ILE 398 HG11 ILE 398 0.294 6.165 12.923 225 HG21 ILE 398 HG21 ILE 398 -1.254 3.157 15.506 226 HG22 ILE 398 HG22 ILE 398 -2.303 4.044 14.399 227 HG23 ILE 398 HG23 ILE 398 -1.644 4.847 15.824 228 HD11 ILE 398 HD11 ILE 398 -1.995 6.076 11.746 229 HD12 ILE 398 HD12 ILE 398 -2.242 4.554 12.603 230 HD13 ILE 398 HD13 ILE 398 -0.899 4.721 11.470 231 H GLY 399 HN GLY 399 2.210 2.819 14.953 232 HA2 GLY 399 HA2 GLY 399 1.199 1.331 17.108 233 HA3 GLY 399 HA1 GLY 399 2.705 1.001 16.253 234 H LEU 400 HN LEU 400 3.860 3.610 16.859 235 HA LEU 400 HA LEU 400 5.156 2.947 19.259 236 HB2 LEU 400 HB2 LEU 400 5.761 4.642 17.253 237 HB3 LEU 400 HB1 LEU 400 5.088 5.820 18.375 238 HG LEU 400 HG LEU 400 7.475 5.663 18.778 239 HD11 LEU 400 HD11 LEU 400 7.433 5.334 21.112 240 HD12 LEU 400 HD12 LEU 400 6.249 4.038 21.005 241 HD13 LEU 400 HD13 LEU 400 5.750 5.708 20.737 242 HD21 LEU 400 HD21 LEU 400 7.458 2.827 19.686 243 HD22 LEU 400 HD22 LEU 400 8.668 3.705 18.755 244 HD23 LEU 400 HD23 LEU 400 7.262 3.030 17.944 245 H LYS 401 HN LYS 401 2.529 5.198 18.549 246 HA LYS 401 HA LYS 401 1.031 6.274 19.912 247 HB2 LYS 401 HB2 LYS 401 0.615 3.898 20.603 248 HB3 LYS 401 HB1 LYS 401 1.755 4.138 21.926 249 HG2 LYS 401 HG2 LYS 401 0.384 5.943 22.831 250 HG3 LYS 401 HG1 LYS 401 -0.731 5.809 21.472 251 HD2 LYS 401 HD2 LYS 401 -1.259 3.489 22.139 252 HD3 LYS 401 HD1 LYS 401 -0.160 3.637 23.511 253 HE2 LYS 401 HE2 LYS 401 -1.514 5.479 24.416 254 HE3 LYS 401 HE1 LYS 401 -2.605 5.370 23.035 255 HZ1 LYS 401 HZ1 LYS 401 -2.466 3.736 25.389 256 HZ2 LYS 401 HZ2 LYS 401 -2.496 2.823 23.958 257 HZ3 LYS 401 HZ3 LYS 401 -3.737 3.936 24.284 258 H HIS 402 HN HIS 402 0.870 7.726 21.691 259 HA HIS 402 HA HIS 402 3.253 9.081 22.337 260 HB2 HIS 402 HB2 HIS 402 1.024 10.143 22.328 261 HB3 HIS 402 HB1 HIS 402 0.570 9.189 23.738 262 HD1 HIS 402 HD1 HIS 402 3.329 11.640 22.747 263 HD2 HIS 402 HD2 HIS 402 1.168 10.462 26.112 264 HE1 HIS 402 HE1 HIS 402 4.058 13.162 24.635 265 HE2 HIS 402 HE2 HIS 402 2.749 12.455 26.694 266 H HIS 403 HN HIS 403 1.291 6.762 24.164 267 HA HIS 403 HA HIS 403 2.983 6.891 26.500 268 HB2 HIS 403 HB2 HIS 403 0.748 5.015 25.698 269 HB3 HIS 403 HB1 HIS 403 1.587 4.944 27.248 270 HD1 HIS 403 HD1 HIS 403 -0.727 7.138 25.235 271 HD2 HIS 403 HD2 HIS 403 0.891 6.986 29.074 272 HE1 HIS 403 HE1 HIS 403 -1.951 8.887 26.597 273 HE2 HIS 403 HE2 HIS 403 -0.976 8.806 28.941 274 H HIS 404 HN HIS 404 4.314 5.200 27.284 275 HA HIS 404 HA HIS 404 5.865 3.898 25.257 276 HB2 HIS 404 HB2 HIS 404 5.890 3.734 28.276 277 HB3 HIS 404 HB1 HIS 404 7.044 2.885 27.245 278 HD1 HIS 404 HD1 HIS 404 5.964 6.369 28.227 279 HD2 HIS 404 HD2 HIS 404 9.041 4.519 26.109 280 HE1 HIS 404 HE1 HIS 404 7.692 8.161 27.762 281 HE2 HIS 404 HE2 HIS 404 9.575 7.049 26.472 282 H ALA 405 HN ALA 405 5.830 1.816 24.575 283 HA ALA 405 HA ALA 405 3.497 0.230 25.176 284 HB1 ALA 405 HB1 ALA 405 5.936 -0.363 23.482 285 HB2 ALA 405 HB2 ALA 405 4.388 0.259 22.907 286 HB3 ALA 405 HB3 ALA 405 4.493 -1.374 23.565 287 H GLY 406 HN GLY 406 6.564 0.575 26.555 288 HA2 GLY 406 HA2 GLY 406 7.141 -2.076 27.353 289 HA3 GLY 406 HA1 GLY 406 7.737 -0.616 28.136 290 H TYR 407 HN TYR 407 5.232 0.510 28.851 291 HA TYR 407 HA TYR 407 4.669 -1.080 31.215 292 HB2 TYR 407 HB2 TYR 407 4.866 1.362 31.388 293 HB3 TYR 407 HB1 TYR 407 3.503 1.555 30.285 294 HD1 TYR 407 HD1 TYR 407 4.505 0.162 33.595 295 HD2 TYR 407 HD2 TYR 407 1.258 1.372 31.056 296 HE1 TYR 407 HE1 TYR 407 2.932 -0.065 35.498 297 HE2 TYR 407 HE2 TYR 407 -0.315 1.143 32.959 298 HH TYR 407 HH TYR 407 -0.533 0.700 35.120 299 H GLU 408 HN GLU 408 3.043 -2.464 31.447 300 HA GLU 408 HA GLU 408 0.877 -2.475 29.411 301 HB2 GLU 408 HB2 GLU 408 2.324 -4.492 29.448 302 HB3 GLU 408 HB1 GLU 408 1.875 -4.758 31.132 303 HG2 GLU 408 HG2 GLU 408 -0.478 -4.978 30.508 304 HG3 GLU 408 HG1 GLU 408 -0.089 -4.612 28.827 305 H GLN 409 HN GLN 409 -0.941 -1.662 30.142 306 HA GLN 409 HA GLN 409 -1.608 -1.036 32.764 307 HB2 GLN 409 HB2 GLN 409 -3.765 -0.555 31.975 308 HB3 GLN 409 HB1 GLN 409 -2.768 -0.378 30.534 309 HG2 GLN 409 HG2 GLN 409 -4.490 -1.729 29.697 310 HG3 GLN 409 HG1 GLN 409 -3.333 -2.959 30.197 311 HE21 GLN 409 HE21 GLN 409 -4.637 -4.633 30.974 312 HE22 GLN 409 HE22 GLN 409 -5.825 -4.437 32.170 313 H PHE 410 HN PHE 410 -2.846 -2.030 34.364 314 HA PHE 410 HA PHE 410 -3.805 -4.753 33.988 315 HB2 PHE 410 HB2 PHE 410 -2.469 -5.690 35.805 316 HB3 PHE 410 HB1 PHE 410 -1.415 -5.070 34.533 317 HD1 PHE 410 HD1 PHE 410 -2.699 -4.499 37.944 318 HD2 PHE 410 HD2 PHE 410 -0.061 -3.075 34.870 319 HE1 PHE 410 HE1 PHE 410 -1.593 -3.003 39.584 320 HE2 PHE 410 HE2 PHE 410 1.044 -1.579 36.509 321 HZ PHE 410 HZ PHE 410 0.278 -1.543 38.866 Start of MODEL 15 1 H1 SER 369 HT1 SER 369 11.288 17.007 -25.944 2 H2 SER 369 HT2 SER 369 11.617 16.434 -27.509 3 H3 SER 369 HT3 SER 369 12.661 16.051 -26.223 4 HA SER 369 HA SER 369 9.963 15.005 -26.793 5 HB2 SER 369 HB2 SER 369 11.195 12.864 -26.232 6 HB3 SER 369 HB1 SER 369 11.788 13.699 -27.666 7 HG SER 369 HG SER 369 12.880 13.662 -25.051 8 H ALA 370 HN ALA 370 11.568 16.616 -24.404 9 HA ALA 370 HA ALA 370 11.092 15.071 -22.084 10 HB1 ALA 370 HB1 ALA 370 11.138 18.094 -22.349 11 HB2 ALA 370 HB2 ALA 370 12.548 17.068 -22.067 12 HB3 ALA 370 HB3 ALA 370 11.283 17.186 -20.845 13 H ASP 371 HN ASP 371 9.094 17.352 -23.871 14 HA ASP 371 HA ASP 371 6.960 17.545 -22.028 15 HB2 ASP 371 HB2 ASP 371 6.973 17.822 -25.051 16 HB3 ASP 371 HB1 ASP 371 5.579 18.176 -24.032 17 H ASP 372 HN ASP 372 7.582 15.285 -24.683 18 HA ASP 372 HA ASP 372 5.114 13.885 -24.465 19 HB2 ASP 372 HB2 ASP 372 7.788 13.126 -25.649 20 HB3 ASP 372 HB1 ASP 372 6.361 12.096 -25.743 21 H ASP 373 HN ASP 373 4.599 12.004 -23.382 22 HA ASP 373 HA ASP 373 6.194 11.429 -21.011 23 HB2 ASP 373 HB2 ASP 373 3.735 11.607 -20.854 24 HB3 ASP 373 HB1 ASP 373 3.575 10.238 -21.952 25 H ASN 374 HN ASN 374 7.884 10.111 -21.259 26 HA ASN 374 HA ASN 374 8.054 8.143 -23.334 27 HB2 ASN 374 HB2 ASN 374 9.741 8.685 -20.883 28 HB3 ASN 374 HB1 ASN 374 10.120 7.433 -22.064 29 HD21 ASN 374 HD21 ASN 374 11.931 9.573 -21.675 30 HD22 ASN 374 HD22 ASN 374 11.918 10.565 -23.052 31 H PHE 375 HN PHE 375 7.730 5.964 -23.243 32 HA PHE 375 HA PHE 375 6.201 4.951 -20.954 33 HB2 PHE 375 HB2 PHE 375 6.780 3.861 -23.713 34 HB3 PHE 375 HB1 PHE 375 5.945 2.929 -22.470 35 HD1 PHE 375 HD2 PHE 375 3.747 3.667 -21.601 36 HD2 PHE 375 HD1 PHE 375 5.715 5.729 -24.815 37 HE1 PHE 375 HE2 PHE 375 1.623 4.817 -22.165 38 HE2 PHE 375 HE1 PHE 375 3.592 6.878 -25.378 39 HZ PHE 375 HZ PHE 375 1.546 6.423 -24.054 40 H LEU 376 HN LEU 376 9.366 5.246 -21.685 41 HA LEU 376 HA LEU 376 10.215 2.591 -20.740 42 HB2 LEU 376 HB2 LEU 376 11.632 4.966 -21.945 43 HB3 LEU 376 HB1 LEU 376 12.536 3.684 -21.138 44 HG LEU 376 HG LEU 376 11.482 2.018 -22.645 45 HD11 LEU 376 HD11 LEU 376 10.346 3.059 -24.722 46 HD12 LEU 376 HD12 LEU 376 10.156 4.507 -23.733 47 HD13 LEU 376 HD13 LEU 376 9.403 2.992 -23.235 48 HD21 LEU 376 HD21 LEU 376 12.918 4.367 -23.910 49 HD22 LEU 376 HD22 LEU 376 12.623 2.851 -24.761 50 HD23 LEU 376 HD23 LEU 376 13.631 2.870 -23.313 51 H VAL 377 HN VAL 377 10.722 2.223 -18.691 52 HA VAL 377 HA VAL 377 10.690 2.701 -16.395 53 HB VAL 377 HB VAL 377 12.922 3.891 -15.863 54 HG11 VAL 377 HG11 VAL 377 14.214 1.900 -16.767 55 HG12 VAL 377 HG12 VAL 377 12.734 1.403 -17.585 56 HG13 VAL 377 HG13 VAL 377 12.782 1.485 -15.824 57 HG21 VAL 377 HG21 VAL 377 12.988 5.103 -18.066 58 HG22 VAL 377 HG22 VAL 377 13.233 3.547 -18.863 59 HG23 VAL 377 HG23 VAL 377 14.445 4.166 -17.739 60 HA PRO 378 HA PRO 378 8.810 6.953 -16.879 61 HB2 PRO 378 HB2 PRO 378 6.843 5.668 -15.024 62 HB3 PRO 378 HB1 PRO 378 6.546 6.632 -16.486 63 HG2 PRO 378 HG2 PRO 378 6.201 3.994 -16.498 64 HG3 PRO 378 HG1 PRO 378 6.890 4.831 -17.901 65 HD2 PRO 378 HD2 PRO 378 8.300 3.214 -15.793 66 HD3 PRO 378 HD1 PRO 378 8.592 3.274 -17.546 67 H ILE 379 HN ILE 379 8.979 8.635 -15.432 68 HA ILE 379 HA ILE 379 10.658 8.285 -13.173 69 HB ILE 379 HB ILE 379 8.902 10.656 -13.841 70 HG12 ILE 379 HG12 ILE 379 10.299 10.088 -15.766 71 HG13 ILE 379 HG11 ILE 379 10.940 11.533 -14.990 72 HG21 ILE 379 HG21 ILE 379 9.785 10.760 -11.582 73 HG22 ILE 379 HG22 ILE 379 10.677 11.900 -12.590 74 HG23 ILE 379 HG23 ILE 379 11.403 10.353 -12.154 75 HD11 ILE 379 HD11 ILE 379 12.057 8.743 -15.023 76 HD12 ILE 379 HD12 ILE 379 12.446 9.806 -13.672 77 HD13 ILE 379 HD13 ILE 379 12.877 10.277 -15.315 78 H ALA 380 HN ALA 380 7.173 8.810 -13.531 79 HA ALA 380 HA ALA 380 6.342 9.189 -10.966 80 HB1 ALA 380 HB1 ALA 380 4.340 7.629 -11.637 81 HB2 ALA 380 HB2 ALA 380 5.116 7.609 -13.221 82 HB3 ALA 380 HB3 ALA 380 4.596 9.136 -12.515 83 H VAL 381 HN VAL 381 8.015 6.431 -12.170 84 HA VAL 381 HA VAL 381 7.138 4.432 -10.400 85 HB VAL 381 HB VAL 381 8.607 4.127 -12.424 86 HG11 VAL 381 HG11 VAL 381 10.917 4.625 -12.342 87 HG12 VAL 381 HG12 VAL 381 10.897 4.853 -10.593 88 HG13 VAL 381 HG13 VAL 381 10.155 6.055 -11.647 89 HG21 VAL 381 HG21 VAL 381 8.278 2.371 -10.681 90 HG22 VAL 381 HG22 VAL 381 9.697 2.986 -9.832 91 HG23 VAL 381 HG23 VAL 381 9.868 2.281 -11.440 92 H GLY 382 HN GLY 382 9.727 6.852 -10.100 93 HA2 GLY 382 HA2 GLY 382 10.736 5.981 -7.610 94 HA3 GLY 382 HA1 GLY 382 10.920 7.598 -8.283 95 H ALA 383 HN ALA 383 8.189 8.293 -8.467 96 HA ALA 383 HA ALA 383 7.711 9.257 -5.849 97 HB1 ALA 383 HB1 ALA 383 6.871 10.489 -7.742 98 HB2 ALA 383 HB2 ALA 383 5.488 9.946 -6.792 99 HB3 ALA 383 HB3 ALA 383 5.920 9.107 -8.282 100 H ALA 384 HN ALA 384 6.422 6.522 -7.675 101 HA ALA 384 HA ALA 384 4.334 5.802 -5.935 102 HB1 ALA 384 HB1 ALA 384 6.000 3.815 -7.474 103 HB2 ALA 384 HB2 ALA 384 4.860 4.895 -8.277 104 HB3 ALA 384 HB3 ALA 384 4.282 3.735 -7.080 105 H LEU 385 HN LEU 385 7.729 4.776 -6.033 106 HA LEU 385 HA LEU 385 7.554 3.006 -3.803 107 HB2 LEU 385 HB2 LEU 385 9.761 4.240 -5.390 108 HB3 LEU 385 HB1 LEU 385 10.185 3.592 -3.808 109 HG LEU 385 HG LEU 385 8.533 1.884 -5.683 110 HD11 LEU 385 HD11 LEU 385 10.347 2.570 -7.127 111 HD12 LEU 385 HD12 LEU 385 10.698 0.939 -6.554 112 HD13 LEU 385 HD13 LEU 385 11.528 2.322 -5.841 113 HD21 LEU 385 HD21 LEU 385 10.778 1.116 -3.807 114 HD22 LEU 385 HD22 LEU 385 9.486 0.096 -4.440 115 HD23 LEU 385 HD23 LEU 385 9.123 1.335 -3.240 116 H ALA 386 HN ALA 386 8.434 6.419 -4.124 117 HA ALA 386 HA ALA 386 9.260 6.825 -1.460 118 HB1 ALA 386 HB1 ALA 386 7.928 8.866 -3.244 119 HB2 ALA 386 HB2 ALA 386 9.620 8.393 -3.400 120 HB3 ALA 386 HB3 ALA 386 9.055 9.170 -1.920 121 H GLY 387 HN GLY 387 6.095 6.939 -3.008 122 HA2 GLY 387 HA2 GLY 387 4.628 8.041 -0.855 123 HA3 GLY 387 HA1 GLY 387 3.962 7.068 -2.160 124 H VAL 388 HN VAL 388 5.350 4.691 -1.765 125 HA VAL 388 HA VAL 388 3.802 3.486 0.281 126 HB VAL 388 HB VAL 388 6.192 2.413 -1.231 127 HG11 VAL 388 HG11 VAL 388 5.125 0.200 -0.572 128 HG12 VAL 388 HG12 VAL 388 4.119 1.111 0.556 129 HG13 VAL 388 HG13 VAL 388 5.873 1.090 0.754 130 HG21 VAL 388 HG21 VAL 388 4.570 1.445 -2.719 131 HG22 VAL 388 HG22 VAL 388 4.138 3.146 -2.547 132 HG23 VAL 388 HG23 VAL 388 3.236 1.914 -1.667 133 H LEU 389 HN LEU 389 7.219 4.404 0.061 134 HA LEU 389 HA LEU 389 8.080 3.252 2.461 135 HB2 LEU 389 HB2 LEU 389 9.630 4.080 0.763 136 HB3 LEU 389 HB1 LEU 389 9.120 5.737 1.063 137 HG LEU 389 HG LEU 389 9.988 4.283 3.515 138 HD11 LEU 389 HD11 LEU 389 11.655 3.302 2.119 139 HD12 LEU 389 HD12 LEU 389 12.437 4.674 2.903 140 HD13 LEU 389 HD13 LEU 389 11.899 4.804 1.228 141 HD21 LEU 389 HD21 LEU 389 11.090 6.391 3.991 142 HD22 LEU 389 HD22 LEU 389 9.487 6.755 3.357 143 HD23 LEU 389 HD23 LEU 389 10.902 6.923 2.320 144 H ILE 390 HN ILE 390 6.634 6.432 1.827 145 HA ILE 390 HA ILE 390 6.952 7.411 4.483 146 HB ILE 390 HB ILE 390 5.073 8.186 2.243 147 HG12 ILE 390 HG12 ILE 390 7.528 9.590 3.378 148 HG13 ILE 390 HG11 ILE 390 7.566 8.551 1.956 149 HG21 ILE 390 HG21 ILE 390 3.967 8.904 4.218 150 HG22 ILE 390 HG22 ILE 390 4.858 10.325 3.672 151 HG23 ILE 390 HG23 ILE 390 5.483 9.350 5.005 152 HD11 ILE 390 HD11 ILE 390 6.312 10.064 0.665 153 HD12 ILE 390 HD12 ILE 390 7.334 11.124 1.626 154 HD13 ILE 390 HD13 ILE 390 5.649 10.879 2.085 155 H LEU 391 HN LEU 391 4.341 5.725 2.799 156 HA LEU 391 HA LEU 391 2.392 5.885 4.796 157 HB2 LEU 391 HB2 LEU 391 2.932 3.965 2.554 158 HB3 LEU 391 HB1 LEU 391 1.610 3.648 3.676 159 HG LEU 391 HG LEU 391 1.845 6.387 2.421 160 HD11 LEU 391 HD11 LEU 391 1.972 4.961 0.480 161 HD12 LEU 391 HD12 LEU 391 0.308 5.531 0.601 162 HD13 LEU 391 HD13 LEU 391 0.720 3.894 1.114 163 HD21 LEU 391 HD21 LEU 391 0.173 6.007 4.190 164 HD22 LEU 391 HD22 LEU 391 -0.475 4.633 3.294 165 HD23 LEU 391 HD23 LEU 391 -0.628 6.263 2.642 166 H VAL 392 HN VAL 392 4.965 3.506 4.280 167 HA VAL 392 HA VAL 392 4.204 1.716 6.333 168 HB VAL 392 HB VAL 392 6.913 2.277 5.111 169 HG11 VAL 392 HG11 VAL 392 7.368 -0.083 5.991 170 HG12 VAL 392 HG12 VAL 392 5.934 0.124 6.997 171 HG13 VAL 392 HG13 VAL 392 7.319 1.197 7.204 172 HG21 VAL 392 HG21 VAL 392 6.430 0.460 3.651 173 HG22 VAL 392 HG22 VAL 392 4.954 1.423 3.669 174 HG23 VAL 392 HG23 VAL 392 5.052 -0.058 4.622 175 H LEU 393 HN LEU 393 6.368 4.519 6.305 176 HA LEU 393 HA LEU 393 7.384 4.242 8.922 177 HB2 LEU 393 HB2 LEU 393 7.139 6.486 6.960 178 HB3 LEU 393 HB1 LEU 393 7.546 6.904 8.623 179 HG LEU 393 HG LEU 393 9.082 4.685 7.258 180 HD11 LEU 393 HD11 LEU 393 9.132 6.537 5.648 181 HD12 LEU 393 HD12 LEU 393 10.702 6.366 6.432 182 HD13 LEU 393 HD13 LEU 393 9.603 7.654 6.927 183 HD21 LEU 393 HD21 LEU 393 10.780 5.287 8.816 184 HD22 LEU 393 HD22 LEU 393 9.275 5.360 9.732 185 HD23 LEU 393 HD23 LEU 393 10.027 6.847 9.152 186 H LEU 394 HN LEU 394 4.512 5.923 7.705 187 HA LEU 394 HA LEU 394 3.764 7.136 10.137 188 HB2 LEU 394 HB2 LEU 394 2.812 7.775 7.971 189 HB3 LEU 394 HB1 LEU 394 2.043 6.199 7.836 190 HG LEU 394 HG LEU 394 1.416 7.605 10.366 191 HD11 LEU 394 HD11 LEU 394 -0.276 9.089 9.204 192 HD12 LEU 394 HD12 LEU 394 0.579 8.755 7.697 193 HD13 LEU 394 HD13 LEU 394 1.405 9.586 9.015 194 HD21 LEU 394 HD21 LEU 394 -0.329 6.387 8.200 195 HD22 LEU 394 HD22 LEU 394 -0.855 6.840 9.820 196 HD23 LEU 394 HD23 LEU 394 0.290 5.515 9.603 197 H ALA 395 HN ALA 395 2.986 3.969 8.731 198 HA ALA 395 HA ALA 395 1.074 3.124 10.577 199 HB1 ALA 395 HB1 ALA 395 1.482 1.800 8.620 200 HB2 ALA 395 HB2 ALA 395 1.899 0.803 10.014 201 HB3 ALA 395 HB3 ALA 395 3.173 1.564 9.060 202 H TYR 396 HN TYR 396 4.611 2.730 10.676 203 HA TYR 396 HA TYR 396 4.697 1.436 13.197 204 HB2 TYR 396 HB2 TYR 396 6.592 1.347 11.662 205 HB3 TYR 396 HB1 TYR 396 6.801 3.095 11.784 206 HD1 TYR 396 HD1 TYR 396 6.865 -0.075 13.744 207 HD2 TYR 396 HD2 TYR 396 7.990 4.069 13.605 208 HE1 TYR 396 HE1 TYR 396 8.264 -0.386 15.768 209 HE2 TYR 396 HE2 TYR 396 9.388 3.757 15.630 210 HH TYR 396 HH TYR 396 10.015 0.586 16.959 211 H PHE 397 HN PHE 397 4.726 4.814 12.211 212 HA PHE 397 HA PHE 397 5.498 6.012 14.616 213 HB2 PHE 397 HB2 PHE 397 5.166 7.150 12.377 214 HB3 PHE 397 HB1 PHE 397 3.435 7.121 12.703 215 HD1 PHE 397 HD2 PHE 397 2.579 8.217 14.862 216 HD2 PHE 397 HD1 PHE 397 6.546 8.808 13.324 217 HE1 PHE 397 HE2 PHE 397 2.819 10.250 16.263 218 HE2 PHE 397 HE1 PHE 397 6.788 10.840 14.729 219 HZ PHE 397 HZ PHE 397 4.924 11.561 16.197 220 H ILE 398 HN ILE 398 2.261 5.067 13.464 221 HA ILE 398 HA ILE 398 0.843 6.036 15.713 222 HB ILE 398 HB ILE 398 0.155 3.862 13.713 223 HG12 ILE 398 HG12 ILE 398 -0.952 6.660 14.024 224 HG13 ILE 398 HG11 ILE 398 0.407 6.285 12.964 225 HG21 ILE 398 HG21 ILE 398 -1.437 5.091 15.974 226 HG22 ILE 398 HG22 ILE 398 -1.149 3.381 15.658 227 HG23 ILE 398 HG23 ILE 398 -2.204 4.308 14.593 228 HD11 ILE 398 HD11 ILE 398 -0.914 4.850 11.600 229 HD12 ILE 398 HD12 ILE 398 -1.919 6.272 11.881 230 HD13 ILE 398 HD13 ILE 398 -2.214 4.791 12.791 231 H GLY 399 HN GLY 399 2.267 2.857 14.977 232 HA2 GLY 399 HA2 GLY 399 1.282 1.496 17.234 233 HA3 GLY 399 HA1 GLY 399 2.729 1.059 16.325 234 H LEU 400 HN LEU 400 4.172 3.473 16.727 235 HA LEU 400 HA LEU 400 5.418 2.905 19.192 236 HB2 LEU 400 HB2 LEU 400 6.223 4.213 16.994 237 HB3 LEU 400 HB1 LEU 400 5.737 5.614 17.942 238 HG LEU 400 HG LEU 400 8.082 5.196 18.363 239 HD11 LEU 400 HD11 LEU 400 6.706 4.056 20.789 240 HD12 LEU 400 HD12 LEU 400 6.430 5.728 20.295 241 HD13 LEU 400 HD13 LEU 400 8.057 5.185 20.713 242 HD21 LEU 400 HD21 LEU 400 7.731 2.529 19.632 243 HD22 LEU 400 HD22 LEU 400 9.032 3.135 18.611 244 HD23 LEU 400 HD23 LEU 400 7.548 2.536 17.877 245 H LYS 401 HN LYS 401 3.121 5.426 18.208 246 HA LYS 401 HA LYS 401 3.119 6.804 20.690 247 HB2 LYS 401 HB2 LYS 401 2.300 7.766 18.546 248 HB3 LYS 401 HB1 LYS 401 0.911 6.680 18.626 249 HG2 LYS 401 HG2 LYS 401 0.236 7.664 20.767 250 HG3 LYS 401 HG1 LYS 401 1.650 8.718 20.744 251 HD2 LYS 401 HD2 LYS 401 0.842 9.754 18.651 252 HD3 LYS 401 HD1 LYS 401 -0.580 8.711 18.689 253 HE2 LYS 401 HE2 LYS 401 -1.319 10.740 19.662 254 HE3 LYS 401 HE1 LYS 401 -1.005 9.688 21.042 255 HZ1 LYS 401 HZ1 LYS 401 1.385 10.964 20.380 256 HZ2 LYS 401 HZ2 LYS 401 0.442 11.170 21.779 257 HZ3 LYS 401 HZ3 LYS 401 0.179 12.156 20.422 258 H HIS 402 HN HIS 402 2.077 6.396 22.551 259 HA HIS 402 HA HIS 402 0.976 5.134 24.138 260 HB2 HIS 402 HB2 HIS 402 -0.863 6.444 23.143 261 HB3 HIS 402 HB1 HIS 402 -1.126 5.163 21.959 262 HD1 HIS 402 HD1 HIS 402 -1.013 5.543 25.756 263 HD2 HIS 402 HD2 HIS 402 -2.908 3.248 22.838 264 HE1 HIS 402 HE1 HIS 402 -2.666 4.060 26.974 265 HE2 HIS 402 HE2 HIS 402 -3.829 2.654 25.207 266 H HIS 403 HN HIS 403 2.414 3.321 23.993 267 HA HIS 403 HA HIS 403 1.663 1.084 22.270 268 HB2 HIS 403 HB2 HIS 403 4.054 1.692 22.682 269 HB3 HIS 403 HB1 HIS 403 3.835 1.241 24.373 270 HD1 HIS 403 HD1 HIS 403 3.486 -0.300 20.907 271 HD2 HIS 403 HD2 HIS 403 4.156 -1.473 24.850 272 HE1 HIS 403 HE1 HIS 403 3.956 -2.787 20.844 273 HE2 HIS 403 HE2 HIS 403 4.368 -3.517 23.241 274 H HIS 404 HN HIS 404 0.363 -0.521 22.881 275 HA HIS 404 HA HIS 404 -0.611 -0.620 25.636 276 HB2 HIS 404 HB2 HIS 404 -2.113 -0.784 23.595 277 HB3 HIS 404 HB1 HIS 404 -1.422 -2.382 23.318 278 HD1 HIS 404 HD1 HIS 404 -2.748 -0.591 26.427 279 HD2 HIS 404 HD2 HIS 404 -3.093 -4.249 24.459 280 HE1 HIS 404 HE1 HIS 404 -4.322 -2.005 27.818 281 HE2 HIS 404 HE2 HIS 404 -4.543 -4.240 26.631 282 H ALA 405 HN ALA 405 0.123 -1.994 27.118 283 HA ALA 405 HA ALA 405 2.195 -3.886 26.470 284 HB1 ALA 405 HB1 ALA 405 0.731 -3.496 29.089 285 HB2 ALA 405 HB2 ALA 405 2.147 -2.570 28.590 286 HB3 ALA 405 HB3 ALA 405 2.278 -4.308 28.854 287 H GLY 406 HN GLY 406 -1.194 -3.995 26.503 288 HA2 GLY 406 HA2 GLY 406 -1.668 -6.634 27.409 289 HA3 GLY 406 HA1 GLY 406 -2.725 -5.712 26.346 290 H TYR 407 HN TYR 407 -0.739 -5.316 24.276 291 HA TYR 407 HA TYR 407 -0.795 -8.015 23.069 292 HB2 TYR 407 HB2 TYR 407 -0.524 -5.260 21.841 293 HB3 TYR 407 HB1 TYR 407 -0.411 -6.767 20.932 294 HD1 TYR 407 HD2 TYR 407 -2.381 -8.461 21.254 295 HD2 TYR 407 HD1 TYR 407 -2.635 -4.270 22.158 296 HE1 TYR 407 HE2 TYR 407 -4.853 -8.582 21.120 297 HE2 TYR 407 HE1 TYR 407 -5.108 -4.391 22.027 298 HH TYR 407 HH TYR 407 -6.873 -5.740 21.832 299 H GLU 408 HN GLU 408 1.024 -9.041 22.445 300 HA GLU 408 HA GLU 408 3.616 -7.620 22.670 301 HB2 GLU 408 HB2 GLU 408 2.963 -10.364 23.783 302 HB3 GLU 408 HB1 GLU 408 4.570 -9.641 23.729 303 HG2 GLU 408 HG2 GLU 408 3.856 -9.115 25.902 304 HG3 GLU 408 HG1 GLU 408 3.461 -7.647 25.008 305 H GLN 409 HN GLN 409 5.204 -8.304 21.263 306 HA GLN 409 HA GLN 409 4.453 -10.376 19.268 307 HB2 GLN 409 HB2 GLN 409 5.859 -7.771 18.614 308 HB3 GLN 409 HB1 GLN 409 5.259 -8.979 17.479 309 HG2 GLN 409 HG2 GLN 409 3.592 -7.181 19.282 310 HG3 GLN 409 HG1 GLN 409 3.678 -7.144 17.520 311 HE21 GLN 409 HE21 GLN 409 1.480 -7.939 19.697 312 HE22 GLN 409 HE22 GLN 409 0.820 -9.351 19.024 313 H PHE 410 HN PHE 410 5.982 -11.834 18.889 314 HA PHE 410 HA PHE 410 8.473 -11.702 20.351 315 HB2 PHE 410 HB2 PHE 410 7.338 -13.745 18.429 316 HB3 PHE 410 HB1 PHE 410 8.862 -13.941 19.295 317 HD1 PHE 410 HD2 PHE 410 8.891 -14.096 21.774 318 HD2 PHE 410 HD1 PHE 410 5.216 -13.960 19.554 319 HE1 PHE 410 HE2 PHE 410 7.658 -14.905 23.768 320 HE2 PHE 410 HE1 PHE 410 3.982 -14.770 21.549 321 HZ PHE 410 HZ PHE 410 5.203 -15.243 23.654 Start of MODEL 16 1 H1 SER 369 HT1 SER 369 -5.447 12.358 -14.313 2 H2 SER 369 HT2 SER 369 -5.691 10.677 -14.351 3 H3 SER 369 HT3 SER 369 -6.986 11.719 -14.003 4 HA SER 369 HA SER 369 -7.427 11.272 -16.182 5 HB2 SER 369 HB2 SER 369 -5.514 13.617 -16.111 6 HB3 SER 369 HB1 SER 369 -6.456 13.194 -17.537 7 HG SER 369 HG SER 369 -7.230 14.352 -15.161 8 H ALA 370 HN ALA 370 -4.793 9.968 -15.137 9 HA ALA 370 HA ALA 370 -3.172 8.596 -16.010 10 HB1 ALA 370 HB1 ALA 370 -4.513 8.908 -18.693 11 HB2 ALA 370 HB2 ALA 370 -5.203 7.902 -17.419 12 HB3 ALA 370 HB3 ALA 370 -3.608 7.527 -18.073 13 H ASP 371 HN ASP 371 -1.245 9.552 -16.025 14 HA ASP 371 HA ASP 371 -0.604 11.949 -17.373 15 HB2 ASP 371 HB2 ASP 371 1.200 9.753 -16.310 16 HB3 ASP 371 HB1 ASP 371 1.786 11.285 -16.952 17 H ASP 372 HN ASP 372 -0.083 8.554 -18.255 18 HA ASP 372 HA ASP 372 0.458 7.558 -20.254 19 HB2 ASP 372 HB2 ASP 372 -1.625 8.852 -20.901 20 HB3 ASP 372 HB1 ASP 372 -0.553 10.102 -21.532 21 H ASP 373 HN ASP 373 1.579 8.214 -22.536 22 HA ASP 373 HA ASP 373 3.567 8.779 -23.533 23 HB2 ASP 373 HB2 ASP 373 2.576 11.077 -23.136 24 HB3 ASP 373 HB1 ASP 373 3.569 11.166 -21.682 25 H ASN 374 HN ASN 374 3.644 7.009 -21.313 26 HA ASN 374 HA ASN 374 5.944 7.744 -19.686 27 HB2 ASN 374 HB2 ASN 374 4.178 5.301 -19.834 28 HB3 ASN 374 HB1 ASN 374 5.605 5.379 -18.804 29 HD21 ASN 374 HD21 ASN 374 2.988 5.116 -17.678 30 HD22 ASN 374 HD22 ASN 374 2.620 6.549 -16.845 31 H PHE 375 HN PHE 375 7.891 7.661 -20.643 32 HA PHE 375 HA PHE 375 8.451 5.819 -22.807 33 HB2 PHE 375 HB2 PHE 375 10.284 7.733 -21.336 34 HB3 PHE 375 HB1 PHE 375 10.646 6.901 -22.849 35 HD1 PHE 375 HD2 PHE 375 9.413 7.456 -24.924 36 HD2 PHE 375 HD1 PHE 375 8.795 9.634 -21.273 37 HE1 PHE 375 HE2 PHE 375 8.290 9.267 -26.194 38 HE2 PHE 375 HE1 PHE 375 7.673 11.444 -22.543 39 HZ PHE 375 HZ PHE 375 7.419 11.261 -25.002 40 H LEU 376 HN LEU 376 11.327 5.798 -21.637 41 HA LEU 376 HA LEU 376 11.092 3.169 -20.424 42 HB2 LEU 376 HB2 LEU 376 13.406 4.912 -21.268 43 HB3 LEU 376 HB1 LEU 376 13.657 3.430 -20.347 44 HG LEU 376 HG LEU 376 12.438 2.155 -22.087 45 HD11 LEU 376 HD11 LEU 376 12.148 3.468 -24.316 46 HD12 LEU 376 HD12 LEU 376 12.193 4.910 -23.301 47 HD13 LEU 376 HD13 LEU 376 10.936 3.696 -23.057 48 HD21 LEU 376 HD21 LEU 376 14.806 2.182 -22.354 49 HD22 LEU 376 HD22 LEU 376 14.801 3.855 -22.913 50 HD23 LEU 376 HD23 LEU 376 14.163 2.577 -23.948 51 H VAL 377 HN VAL 377 11.545 2.639 -18.322 52 HA VAL 377 HA VAL 377 11.278 3.082 -16.045 53 HB VAL 377 HB VAL 377 13.601 2.643 -16.200 54 HG11 VAL 377 HG11 VAL 377 14.199 3.960 -18.119 55 HG12 VAL 377 HG12 VAL 377 15.235 4.474 -16.788 56 HG13 VAL 377 HG13 VAL 377 13.860 5.465 -17.270 57 HG21 VAL 377 HG21 VAL 377 13.837 5.275 -14.776 58 HG22 VAL 377 HG22 VAL 377 14.325 3.666 -14.254 59 HG23 VAL 377 HG23 VAL 377 12.631 4.139 -14.169 60 HA PRO 378 HA PRO 378 9.613 7.391 -16.630 61 HB2 PRO 378 HB2 PRO 378 7.430 6.183 -14.985 62 HB3 PRO 378 HB1 PRO 378 7.319 7.144 -16.473 63 HG2 PRO 378 HG2 PRO 378 6.880 4.517 -16.500 64 HG3 PRO 378 HG1 PRO 378 7.720 5.322 -17.838 65 HD2 PRO 378 HD2 PRO 378 8.882 3.671 -15.612 66 HD3 PRO 378 HD1 PRO 378 9.332 3.716 -17.333 67 H ILE 379 HN ILE 379 9.724 9.051 -15.141 68 HA ILE 379 HA ILE 379 11.175 8.632 -12.754 69 HB ILE 379 HB ILE 379 9.563 11.006 -13.720 70 HG12 ILE 379 HG12 ILE 379 12.563 10.593 -13.574 71 HG13 ILE 379 HG11 ILE 379 11.613 10.231 -15.017 72 HG21 ILE 379 HG21 ILE 379 11.356 10.638 -11.311 73 HG22 ILE 379 HG22 ILE 379 9.708 11.264 -11.351 74 HG23 ILE 379 HG23 ILE 379 11.033 12.227 -12.006 75 HD11 ILE 379 HD11 ILE 379 12.670 12.549 -14.958 76 HD12 ILE 379 HD12 ILE 379 11.547 12.931 -13.653 77 HD13 ILE 379 HD13 ILE 379 10.931 12.515 -15.253 78 H ALA 380 HN ALA 380 7.733 9.203 -13.385 79 HA ALA 380 HA ALA 380 6.694 9.525 -10.891 80 HB1 ALA 380 HB1 ALA 380 5.655 8.038 -13.296 81 HB2 ALA 380 HB2 ALA 380 5.084 9.541 -12.578 82 HB3 ALA 380 HB3 ALA 380 4.743 8.004 -11.785 83 H VAL 381 HN VAL 381 8.427 6.767 -12.019 84 HA VAL 381 HA VAL 381 7.365 4.741 -10.386 85 HB VAL 381 HB VAL 381 9.000 4.447 -12.275 86 HG11 VAL 381 HG11 VAL 381 10.496 6.349 -11.306 87 HG12 VAL 381 HG12 VAL 381 11.289 4.941 -12.010 88 HG13 VAL 381 HG13 VAL 381 11.151 5.092 -10.258 89 HG21 VAL 381 HG21 VAL 381 9.859 3.251 -9.622 90 HG22 VAL 381 HG22 VAL 381 10.157 2.570 -11.221 91 HG23 VAL 381 HG23 VAL 381 8.511 2.665 -10.596 92 H GLY 382 HN GLY 382 9.920 7.137 -9.790 93 HA2 GLY 382 HA2 GLY 382 10.715 6.192 -7.250 94 HA3 GLY 382 HA1 GLY 382 10.949 7.830 -7.852 95 H ALA 383 HN ALA 383 8.179 8.430 -8.272 96 HA ALA 383 HA ALA 383 7.486 9.408 -5.712 97 HB1 ALA 383 HB1 ALA 383 6.741 10.493 -7.782 98 HB2 ALA 383 HB2 ALA 383 5.361 10.069 -6.769 99 HB3 ALA 383 HB3 ALA 383 5.757 9.083 -8.176 100 H ALA 384 HN ALA 384 6.401 6.594 -7.564 101 HA ALA 384 HA ALA 384 4.290 5.814 -5.860 102 HB1 ALA 384 HB1 ALA 384 6.045 4.291 -7.784 103 HB2 ALA 384 HB2 ALA 384 4.373 4.807 -8.007 104 HB3 ALA 384 HB3 ALA 384 4.752 3.508 -6.876 105 H LEU 385 HN LEU 385 7.715 4.886 -5.940 106 HA LEU 385 HA LEU 385 7.568 3.086 -3.735 107 HB2 LEU 385 HB2 LEU 385 9.762 4.398 -5.283 108 HB3 LEU 385 HB1 LEU 385 10.181 3.745 -3.702 109 HG LEU 385 HG LEU 385 8.599 2.016 -5.615 110 HD11 LEU 385 HD11 LEU 385 10.839 1.126 -6.416 111 HD12 LEU 385 HD12 LEU 385 11.572 2.579 -5.735 112 HD13 LEU 385 HD13 LEU 385 10.396 2.713 -7.045 113 HD21 LEU 385 HD21 LEU 385 10.831 1.274 -3.716 114 HD22 LEU 385 HD22 LEU 385 9.560 0.241 -4.368 115 HD23 LEU 385 HD23 LEU 385 9.167 1.467 -3.161 116 H ALA 386 HN ALA 386 8.329 6.530 -4.001 117 HA ALA 386 HA ALA 386 9.144 6.942 -1.336 118 HB1 ALA 386 HB1 ALA 386 9.477 8.585 -3.164 119 HB2 ALA 386 HB2 ALA 386 8.700 9.304 -1.752 120 HB3 ALA 386 HB3 ALA 386 7.741 8.896 -3.175 121 H GLY 387 HN GLY 387 5.955 6.940 -2.857 122 HA2 GLY 387 HA2 GLY 387 4.485 7.932 -0.645 123 HA3 GLY 387 HA1 GLY 387 3.828 6.992 -1.979 124 H VAL 388 HN VAL 388 5.271 4.634 -1.697 125 HA VAL 388 HA VAL 388 3.777 3.302 0.303 126 HB VAL 388 HB VAL 388 6.212 2.352 -1.214 127 HG11 VAL 388 HG11 VAL 388 4.153 0.973 0.521 128 HG12 VAL 388 HG12 VAL 388 5.912 0.908 0.652 129 HG13 VAL 388 HG13 VAL 388 5.099 0.096 -0.685 130 HG21 VAL 388 HG21 VAL 388 4.117 3.116 -2.514 131 HG22 VAL 388 HG22 VAL 388 3.301 1.739 -1.772 132 HG23 VAL 388 HG23 VAL 388 4.692 1.478 -2.824 133 H LEU 389 HN LEU 389 7.164 4.334 0.147 134 HA LEU 389 HA LEU 389 7.995 3.125 2.570 135 HB2 LEU 389 HB2 LEU 389 9.053 5.282 0.797 136 HB3 LEU 389 HB1 LEU 389 9.700 5.221 2.433 137 HG LEU 389 HG LEU 389 9.568 2.658 0.831 138 HD11 LEU 389 HD11 LEU 389 11.905 3.199 0.027 139 HD12 LEU 389 HD12 LEU 389 11.617 4.869 0.516 140 HD13 LEU 389 HD13 LEU 389 10.631 4.138 -0.750 141 HD21 LEU 389 HD21 LEU 389 11.699 3.688 2.712 142 HD22 LEU 389 HD22 LEU 389 11.369 2.020 2.246 143 HD23 LEU 389 HD23 LEU 389 10.245 2.879 3.300 144 H ILE 390 HN ILE 390 6.632 6.336 1.893 145 HA ILE 390 HA ILE 390 6.868 7.317 4.545 146 HB ILE 390 HB ILE 390 5.047 8.091 2.257 147 HG12 ILE 390 HG12 ILE 390 7.467 9.504 3.454 148 HG13 ILE 390 HG11 ILE 390 7.554 8.452 2.044 149 HG21 ILE 390 HG21 ILE 390 4.807 10.239 3.668 150 HG22 ILE 390 HG22 ILE 390 5.388 9.268 5.022 151 HG23 ILE 390 HG23 ILE 390 3.892 8.829 4.200 152 HD11 ILE 390 HD11 ILE 390 5.595 10.742 2.066 153 HD12 ILE 390 HD12 ILE 390 6.380 9.957 0.691 154 HD13 ILE 390 HD13 ILE 390 7.296 11.048 1.726 155 H LEU 391 HN LEU 391 4.294 5.617 2.816 156 HA LEU 391 HA LEU 391 2.303 5.791 4.778 157 HB2 LEU 391 HB2 LEU 391 2.895 3.854 2.562 158 HB3 LEU 391 HB1 LEU 391 1.559 3.535 3.664 159 HG LEU 391 HG LEU 391 1.790 6.260 2.382 160 HD11 LEU 391 HD11 LEU 391 1.961 4.764 0.475 161 HD12 LEU 391 HD12 LEU 391 0.317 5.398 0.535 162 HD13 LEU 391 HD13 LEU 391 0.651 3.759 1.094 163 HD21 LEU 391 HD21 LEU 391 -0.684 6.123 2.573 164 HD22 LEU 391 HD22 LEU 391 0.097 5.888 4.134 165 HD23 LEU 391 HD23 LEU 391 -0.530 4.501 3.245 166 H VAL 392 HN VAL 392 4.890 3.410 4.318 167 HA VAL 392 HA VAL 392 4.108 1.645 6.390 168 HB VAL 392 HB VAL 392 6.808 2.166 5.128 169 HG11 VAL 392 HG11 VAL 392 7.282 -0.169 6.086 170 HG12 VAL 392 HG12 VAL 392 5.883 0.093 7.128 171 HG13 VAL 392 HG13 VAL 392 7.279 1.164 7.241 172 HG21 VAL 392 HG21 VAL 392 6.309 0.259 3.775 173 HG22 VAL 392 HG22 VAL 392 4.855 1.256 3.743 174 HG23 VAL 392 HG23 VAL 392 4.920 -0.173 4.773 175 H LEU 393 HN LEU 393 6.284 4.438 6.330 176 HA LEU 393 HA LEU 393 7.297 4.182 8.953 177 HB2 LEU 393 HB2 LEU 393 7.061 6.414 6.972 178 HB3 LEU 393 HB1 LEU 393 7.489 6.832 8.627 179 HG LEU 393 HG LEU 393 8.990 4.591 7.263 180 HD11 LEU 393 HD11 LEU 393 9.028 6.451 5.640 181 HD12 LEU 393 HD12 LEU 393 10.611 6.229 6.384 182 HD13 LEU 393 HD13 LEU 393 9.568 7.549 6.910 183 HD21 LEU 393 HD21 LEU 393 10.709 5.189 8.798 184 HD22 LEU 393 HD22 LEU 393 9.214 5.287 9.728 185 HD23 LEU 393 HD23 LEU 393 9.977 6.759 9.128 186 H LEU 394 HN LEU 394 4.429 5.854 7.708 187 HA LEU 394 HA LEU 394 3.674 7.113 10.117 188 HB2 LEU 394 HB2 LEU 394 2.720 7.713 7.943 189 HB3 LEU 394 HB1 LEU 394 1.960 6.130 7.830 190 HG LEU 394 HG LEU 394 1.319 7.595 10.327 191 HD11 LEU 394 HD11 LEU 394 -0.398 9.016 9.124 192 HD12 LEU 394 HD12 LEU 394 0.460 8.653 7.627 193 HD13 LEU 394 HD13 LEU 394 1.275 9.535 8.919 194 HD21 LEU 394 HD21 LEU 394 0.282 5.413 9.386 195 HD22 LEU 394 HD22 LEU 394 -0.588 6.464 8.270 196 HD23 LEU 394 HD23 LEU 394 -0.829 6.632 10.008 197 H ALA 395 HN ALA 395 2.900 3.914 8.777 198 HA ALA 395 HA ALA 395 0.995 3.107 10.654 199 HB1 ALA 395 HB1 ALA 395 1.679 1.870 8.557 200 HB2 ALA 395 HB2 ALA 395 1.494 0.854 9.987 201 HB3 ALA 395 HB3 ALA 395 3.104 1.315 9.434 202 H TYR 396 HN TYR 396 4.535 2.721 10.716 203 HA TYR 396 HA TYR 396 4.649 1.476 13.261 204 HB2 TYR 396 HB2 TYR 396 6.508 1.355 11.663 205 HB3 TYR 396 HB1 TYR 396 6.761 3.093 11.814 206 HD1 TYR 396 HD1 TYR 396 6.688 -0.084 13.776 207 HD2 TYR 396 HD2 TYR 396 8.077 3.976 13.578 208 HE1 TYR 396 HE1 TYR 396 8.101 -0.470 15.776 209 HE2 TYR 396 HE2 TYR 396 9.491 3.589 15.579 210 HH TYR 396 HH TYR 396 10.564 1.609 16.715 211 H PHE 397 HN PHE 397 4.659 4.830 12.206 212 HA PHE 397 HA PHE 397 5.510 6.079 14.557 213 HB2 PHE 397 HB2 PHE 397 5.100 7.186 12.326 214 HB3 PHE 397 HB1 PHE 397 3.376 7.129 12.683 215 HD1 PHE 397 HD2 PHE 397 2.529 8.247 14.824 216 HD2 PHE 397 HD1 PHE 397 6.465 8.887 13.231 217 HE1 PHE 397 HE2 PHE 397 2.742 10.314 16.179 218 HE2 PHE 397 HE1 PHE 397 6.680 10.953 14.587 219 HZ PHE 397 HZ PHE 397 4.817 11.666 16.061 220 H ILE 398 HN ILE 398 2.226 5.116 13.554 221 HA ILE 398 HA ILE 398 0.924 6.098 15.873 222 HB ILE 398 HB ILE 398 0.111 3.954 13.888 223 HG12 ILE 398 HG12 ILE 398 -0.929 6.770 14.268 224 HG13 ILE 398 HG11 ILE 398 0.374 6.377 13.145 225 HG21 ILE 398 HG21 ILE 398 -1.352 5.196 16.226 226 HG22 ILE 398 HG22 ILE 398 -1.109 3.482 15.887 227 HG23 ILE 398 HG23 ILE 398 -2.196 4.435 14.877 228 HD11 ILE 398 HD11 ILE 398 -1.059 4.870 11.908 229 HD12 ILE 398 HD12 ILE 398 -1.905 6.409 12.077 230 HD13 ILE 398 HD13 ILE 398 -2.345 5.043 13.102 231 H GLY 399 HN GLY 399 2.285 2.920 15.039 232 HA2 GLY 399 HA2 GLY 399 1.402 1.535 17.330 233 HA3 GLY 399 HA1 GLY 399 2.777 1.085 16.327 234 H LEU 400 HN LEU 400 4.190 3.606 16.748 235 HA LEU 400 HA LEU 400 5.693 2.902 19.019 236 HB2 LEU 400 HB2 LEU 400 6.673 4.220 17.222 237 HB3 LEU 400 HB1 LEU 400 5.539 5.534 17.522 238 HG LEU 400 HG LEU 400 6.503 5.903 19.747 239 HD11 LEU 400 HD11 LEU 400 7.198 3.805 20.542 240 HD12 LEU 400 HD12 LEU 400 8.732 4.587 20.172 241 HD13 LEU 400 HD13 LEU 400 8.051 3.410 19.048 242 HD21 LEU 400 HD21 LEU 400 8.744 5.643 17.727 243 HD22 LEU 400 HD22 LEU 400 8.624 6.800 19.052 244 HD23 LEU 400 HD23 LEU 400 7.534 6.925 17.672 245 H LYS 401 HN LYS 401 3.164 5.356 18.550 246 HA LYS 401 HA LYS 401 3.305 6.170 21.345 247 HB2 LYS 401 HB2 LYS 401 1.525 7.019 19.052 248 HB3 LYS 401 HB1 LYS 401 1.412 7.679 20.684 249 HG2 LYS 401 HG2 LYS 401 3.757 8.417 20.561 250 HG3 LYS 401 HG1 LYS 401 3.891 7.742 18.937 251 HD2 LYS 401 HD2 LYS 401 2.080 9.260 18.176 252 HD3 LYS 401 HD1 LYS 401 2.016 9.966 19.791 253 HE2 LYS 401 HE2 LYS 401 4.456 9.946 17.990 254 HE3 LYS 401 HE1 LYS 401 3.402 11.334 18.261 255 HZ1 LYS 401 HZ1 LYS 401 5.575 10.545 19.787 256 HZ2 LYS 401 HZ2 LYS 401 4.200 10.230 20.733 257 HZ3 LYS 401 HZ3 LYS 401 4.476 11.792 20.124 258 H HIS 402 HN HIS 402 1.832 5.710 22.912 259 HA HIS 402 HA HIS 402 -0.564 4.150 22.264 260 HB2 HIS 402 HB2 HIS 402 1.361 2.542 22.667 261 HB3 HIS 402 HB1 HIS 402 1.408 3.147 24.323 262 HD1 HIS 402 HD1 HIS 402 -0.719 2.703 25.819 263 HD2 HIS 402 HD2 HIS 402 -0.795 0.816 22.101 264 HE1 HIS 402 HE1 HIS 402 -2.577 0.985 25.925 265 HE2 HIS 402 HE2 HIS 402 -2.636 -0.174 23.665 266 H HIS 403 HN HIS 403 -2.201 4.413 23.729 267 HA HIS 403 HA HIS 403 -2.006 6.655 25.511 268 HB2 HIS 403 HB2 HIS 403 -4.203 4.644 24.982 269 HB3 HIS 403 HB1 HIS 403 -4.373 6.006 26.091 270 HD1 HIS 403 HD1 HIS 403 -3.899 5.214 22.431 271 HD2 HIS 403 HD2 HIS 403 -4.683 8.520 24.846 272 HE1 HIS 403 HE1 HIS 403 -4.515 7.111 20.870 273 HE2 HIS 403 HE2 HIS 403 -4.995 9.134 22.327 274 H HIS 404 HN HIS 404 -1.823 6.690 27.698 275 HA HIS 404 HA HIS 404 -0.931 4.249 29.003 276 HB2 HIS 404 HB2 HIS 404 -1.215 7.073 30.055 277 HB3 HIS 404 HB1 HIS 404 -0.442 5.734 30.905 278 HD1 HIS 404 HD1 HIS 404 1.639 4.598 29.514 279 HD2 HIS 404 HD2 HIS 404 0.509 8.448 28.380 280 HE1 HIS 404 HE1 HIS 404 3.570 5.547 28.177 281 HE2 HIS 404 HE2 HIS 404 2.896 7.894 27.479 282 H ALA 405 HN ALA 405 -1.969 3.158 30.614 283 HA ALA 405 HA ALA 405 -4.828 3.464 30.783 284 HB1 ALA 405 HB1 ALA 405 -3.932 1.231 30.806 285 HB2 ALA 405 HB2 ALA 405 -4.632 1.543 32.395 286 HB3 ALA 405 HB3 ALA 405 -2.884 1.611 32.172 287 H GLY 406 HN GLY 406 -2.200 4.827 32.411 288 HA2 GLY 406 HA2 GLY 406 -3.167 5.012 35.058 289 HA3 GLY 406 HA1 GLY 406 -2.000 6.101 34.316 290 H TYR 407 HN TYR 407 -3.720 6.985 32.181 291 HA TYR 407 HA TYR 407 -5.538 8.748 33.723 292 HB2 TYR 407 HB2 TYR 407 -4.190 9.123 31.038 293 HB3 TYR 407 HB1 TYR 407 -5.368 10.242 31.726 294 HD1 TYR 407 HD2 TYR 407 -4.887 11.149 34.109 295 HD2 TYR 407 HD1 TYR 407 -1.907 9.321 31.612 296 HE1 TYR 407 HE2 TYR 407 -3.101 12.219 35.456 297 HE2 TYR 407 HE1 TYR 407 -0.122 10.389 32.961 298 HH TYR 407 HH TYR 407 -0.867 12.174 35.910 299 H GLU 408 HN GLU 408 -7.671 8.815 33.276 300 HA GLU 408 HA GLU 408 -8.818 6.717 31.687 301 HB2 GLU 408 HB2 GLU 408 -9.869 7.581 33.769 302 HB3 GLU 408 HB1 GLU 408 -10.162 9.117 32.956 303 HG2 GLU 408 HG2 GLU 408 -11.549 7.988 31.273 304 HG3 GLU 408 HG1 GLU 408 -11.225 6.430 32.032 305 H GLN 409 HN GLN 409 -8.986 6.780 29.539 306 HA GLN 409 HA GLN 409 -9.645 9.363 28.221 307 HB2 GLN 409 HB2 GLN 409 -7.773 7.261 27.084 308 HB3 GLN 409 HB1 GLN 409 -8.123 8.855 26.420 309 HG2 GLN 409 HG2 GLN 409 -6.654 8.250 29.014 310 HG3 GLN 409 HG1 GLN 409 -5.973 8.950 27.546 311 HE21 GLN 409 HE21 GLN 409 -6.689 9.945 30.520 312 HE22 GLN 409 HE22 GLN 409 -7.305 11.497 30.211 313 H PHE 410 HN PHE 410 -11.448 9.242 27.097 314 HA PHE 410 HA PHE 410 -12.832 6.761 26.715 315 HB2 PHE 410 HB2 PHE 410 -13.379 9.566 25.722 316 HB3 PHE 410 HB1 PHE 410 -14.466 8.201 25.462 317 HD1 PHE 410 HD2 PHE 410 -15.573 7.085 27.378 318 HD2 PHE 410 HD1 PHE 410 -13.139 10.586 27.901 319 HE1 PHE 410 HE2 PHE 410 -16.530 7.413 29.644 320 HE2 PHE 410 HE1 PHE 410 -14.095 10.914 30.164 321 HZ PHE 410 HZ PHE 410 -15.790 9.328 31.036 Start of MODEL 17 1 H1 SER 369 HT1 SER 369 -0.462 6.408 -22.320 2 H2 SER 369 HT2 SER 369 -1.584 6.929 -23.484 3 H3 SER 369 HT3 SER 369 -1.476 5.282 -23.082 4 HA SER 369 HA SER 369 -1.955 6.848 -20.762 5 HB2 SER 369 HB2 SER 369 -4.018 7.000 -22.978 6 HB3 SER 369 HB1 SER 369 -4.206 7.611 -21.337 7 HG SER 369 HG SER 369 -3.542 9.332 -22.507 8 H ALA 370 HN ALA 370 -2.884 5.471 -19.349 9 HA ALA 370 HA ALA 370 -4.537 3.252 -20.283 10 HB1 ALA 370 HB1 ALA 370 -3.161 1.583 -19.061 11 HB2 ALA 370 HB2 ALA 370 -1.939 2.824 -18.788 12 HB3 ALA 370 HB3 ALA 370 -2.304 2.292 -20.429 13 H ASP 371 HN ASP 371 -5.853 2.404 -18.709 14 HA ASP 371 HA ASP 371 -6.623 4.127 -16.610 15 HB2 ASP 371 HB2 ASP 371 -7.258 1.196 -17.077 16 HB3 ASP 371 HB1 ASP 371 -7.982 2.167 -15.800 17 H ASP 372 HN ASP 372 -4.640 1.194 -16.635 18 HA ASP 372 HA ASP 372 -4.306 0.962 -13.840 19 HB2 ASP 372 HB2 ASP 372 -3.757 -0.867 -15.369 20 HB3 ASP 372 HB1 ASP 372 -2.465 0.093 -16.083 21 H ASP 373 HN ASP 373 -2.537 2.772 -16.310 22 HA ASP 373 HA ASP 373 -0.938 4.410 -16.155 23 HB2 ASP 373 HB2 ASP 373 -2.749 5.417 -14.728 24 HB3 ASP 373 HB1 ASP 373 -1.929 4.745 -13.320 25 H ASN 374 HN ASN 374 -0.044 1.797 -15.701 26 HA ASN 374 HA ASN 374 1.598 1.682 -13.341 27 HB2 ASN 374 HB2 ASN 374 0.704 -0.338 -14.516 28 HB3 ASN 374 HB1 ASN 374 1.793 0.013 -15.857 29 HD21 ASN 374 HD21 ASN 374 2.971 -2.021 -15.426 30 HD22 ASN 374 HD22 ASN 374 4.037 -2.131 -14.110 31 H PHE 375 HN PHE 375 3.425 2.813 -13.079 32 HA PHE 375 HA PHE 375 4.790 3.966 -15.382 33 HB2 PHE 375 HB2 PHE 375 5.503 4.175 -12.452 34 HB3 PHE 375 HB1 PHE 375 6.052 5.222 -13.761 35 HD1 PHE 375 HD2 PHE 375 4.320 6.598 -15.037 36 HD2 PHE 375 HD1 PHE 375 3.437 4.571 -11.356 37 HE1 PHE 375 HE2 PHE 375 2.321 8.027 -14.733 38 HE2 PHE 375 HE1 PHE 375 1.432 5.999 -11.055 39 HZ PHE 375 HZ PHE 375 0.875 7.727 -12.743 40 H LEU 376 HN LEU 376 5.561 1.944 -16.291 41 HA LEU 376 HA LEU 376 7.472 0.372 -14.756 42 HB2 LEU 376 HB2 LEU 376 6.162 0.182 -17.437 43 HB3 LEU 376 HB1 LEU 376 7.682 -0.680 -17.213 44 HG LEU 376 HG LEU 376 5.526 -0.966 -15.125 45 HD11 LEU 376 HD11 LEU 376 4.363 -1.370 -17.251 46 HD12 LEU 376 HD12 LEU 376 4.593 -2.885 -16.378 47 HD13 LEU 376 HD13 LEU 376 5.634 -2.488 -17.745 48 HD21 LEU 376 HD21 LEU 376 6.608 -3.042 -14.685 49 HD22 LEU 376 HD22 LEU 376 7.919 -1.901 -14.973 50 HD23 LEU 376 HD23 LEU 376 7.441 -3.025 -16.240 51 H VAL 377 HN VAL 377 7.503 2.530 -17.548 52 HA VAL 377 HA VAL 377 10.448 2.560 -17.532 53 HB VAL 377 HB VAL 377 8.928 4.070 -19.616 54 HG11 VAL 377 HG11 VAL 377 10.672 3.208 -21.045 55 HG12 VAL 377 HG12 VAL 377 11.197 2.076 -19.798 56 HG13 VAL 377 HG13 VAL 377 11.415 3.810 -19.562 57 HG21 VAL 377 HG21 VAL 377 8.852 1.057 -19.336 58 HG22 VAL 377 HG22 VAL 377 8.601 1.880 -20.877 59 HG23 VAL 377 HG23 VAL 377 7.493 2.160 -19.534 60 HA PRO 378 HA PRO 378 8.946 7.212 -17.193 61 HB2 PRO 378 HB2 PRO 378 6.588 6.789 -15.426 62 HB3 PRO 378 HB1 PRO 378 6.777 7.890 -16.801 63 HG2 PRO 378 HG2 PRO 378 5.276 5.678 -16.962 64 HG3 PRO 378 HG1 PRO 378 6.217 6.270 -18.344 65 HD2 PRO 378 HD2 PRO 378 6.817 3.981 -16.499 66 HD3 PRO 378 HD1 PRO 378 7.105 4.121 -18.245 67 H ILE 379 HN ILE 379 9.756 8.498 -15.555 68 HA ILE 379 HA ILE 379 11.071 7.220 -13.387 69 HB ILE 379 HB ILE 379 10.527 10.145 -13.936 70 HG12 ILE 379 HG12 ILE 379 13.079 8.542 -14.243 71 HG13 ILE 379 HG11 ILE 379 11.940 8.791 -15.568 72 HG21 ILE 379 HG21 ILE 379 12.517 10.402 -12.332 73 HG22 ILE 379 HG22 ILE 379 12.198 8.738 -11.842 74 HG23 ILE 379 HG23 ILE 379 10.969 9.980 -11.599 75 HD11 ILE 379 HD11 ILE 379 13.888 10.458 -15.404 76 HD12 ILE 379 HD12 ILE 379 13.070 11.101 -13.980 77 HD13 ILE 379 HD13 ILE 379 12.271 11.144 -15.551 78 H ALA 380 HN ALA 380 7.941 8.695 -13.765 79 HA ALA 380 HA ALA 380 7.201 9.471 -11.255 80 HB1 ALA 380 HB1 ALA 380 5.505 9.692 -12.855 81 HB2 ALA 380 HB2 ALA 380 4.899 8.378 -11.849 82 HB3 ALA 380 HB3 ALA 380 5.655 8.024 -13.404 83 H VAL 381 HN VAL 381 8.188 6.314 -12.216 84 HA VAL 381 HA VAL 381 6.865 4.722 -10.319 85 HB VAL 381 HB VAL 381 8.167 3.859 -12.241 86 HG11 VAL 381 HG11 VAL 381 10.544 3.914 -12.278 87 HG12 VAL 381 HG12 VAL 381 10.634 4.451 -10.601 88 HG13 VAL 381 HG13 VAL 381 10.054 5.552 -11.851 89 HG21 VAL 381 HG21 VAL 381 9.015 1.932 -11.102 90 HG22 VAL 381 HG22 VAL 381 7.667 2.518 -10.129 91 HG23 VAL 381 HG23 VAL 381 9.325 2.857 -9.632 92 H GLY 382 HN GLY 382 9.848 6.612 -10.155 93 HA2 GLY 382 HA2 GLY 382 10.776 5.734 -7.660 94 HA3 GLY 382 HA1 GLY 382 11.121 7.306 -8.372 95 H ALA 383 HN ALA 383 8.521 8.343 -8.510 96 HA ALA 383 HA ALA 383 8.195 9.360 -5.886 97 HB1 ALA 383 HB1 ALA 383 7.528 10.538 -8.001 98 HB2 ALA 383 HB2 ALA 383 6.274 10.527 -6.760 99 HB3 ALA 383 HB3 ALA 383 6.168 9.423 -8.131 100 H ALA 384 HN ALA 384 6.543 6.815 -7.698 101 HA ALA 384 HA ALA 384 4.405 6.389 -5.906 102 HB1 ALA 384 HB1 ALA 384 5.805 4.555 -7.863 103 HB2 ALA 384 HB2 ALA 384 4.281 5.414 -8.087 104 HB3 ALA 384 HB3 ALA 384 4.376 4.073 -6.946 105 H LEU 385 HN LEU 385 7.627 4.930 -6.115 106 HA LEU 385 HA LEU 385 7.273 3.133 -3.939 107 HB2 LEU 385 HB2 LEU 385 9.584 4.137 -5.533 108 HB3 LEU 385 HB1 LEU 385 9.956 3.420 -3.968 109 HG LEU 385 HG LEU 385 8.099 1.948 -5.843 110 HD11 LEU 385 HD11 LEU 385 10.207 0.753 -6.678 111 HD12 LEU 385 HD12 LEU 385 11.112 2.132 -6.050 112 HD13 LEU 385 HD13 LEU 385 9.920 2.367 -7.328 113 HD21 LEU 385 HD21 LEU 385 8.638 1.299 -3.412 114 HD22 LEU 385 HD22 LEU 385 10.248 0.891 -3.994 115 HD23 LEU 385 HD23 LEU 385 8.838 0.039 -4.627 116 H ALA 386 HN ALA 386 8.500 6.427 -4.167 117 HA ALA 386 HA ALA 386 9.459 6.669 -1.541 118 HB1 ALA 386 HB1 ALA 386 9.953 8.308 -3.288 119 HB2 ALA 386 HB2 ALA 386 9.215 9.094 -1.893 120 HB3 ALA 386 HB3 ALA 386 8.255 8.781 -3.340 121 H GLY 387 HN GLY 387 6.242 7.168 -2.917 122 HA2 GLY 387 HA2 GLY 387 5.019 8.235 -0.598 123 HA3 GLY 387 HA1 GLY 387 4.179 7.459 -1.937 124 H VAL 388 HN VAL 388 5.527 4.934 -1.738 125 HA VAL 388 HA VAL 388 3.853 3.624 0.128 126 HB VAL 388 HB VAL 388 6.334 2.656 -1.315 127 HG11 VAL 388 HG11 VAL 388 6.031 1.197 0.548 128 HG12 VAL 388 HG12 VAL 388 5.251 0.383 -0.808 129 HG13 VAL 388 HG13 VAL 388 4.274 1.238 0.390 130 HG21 VAL 388 HG21 VAL 388 4.825 1.777 -2.935 131 HG22 VAL 388 HG22 VAL 388 4.235 3.407 -2.614 132 HG23 VAL 388 HG23 VAL 388 3.430 2.021 -1.883 133 H LEU 389 HN LEU 389 7.264 4.529 0.210 134 HA LEU 389 HA LEU 389 7.897 3.264 2.662 135 HB2 LEU 389 HB2 LEU 389 9.143 5.365 0.949 136 HB3 LEU 389 HB1 LEU 389 9.679 5.313 2.626 137 HG LEU 389 HG LEU 389 9.563 2.740 1.047 138 HD11 LEU 389 HD11 LEU 389 10.836 4.030 -0.485 139 HD12 LEU 389 HD12 LEU 389 12.049 3.238 0.518 140 HD13 LEU 389 HD13 LEU 389 11.633 4.928 0.804 141 HD21 LEU 389 HD21 LEU 389 11.391 3.801 3.224 142 HD22 LEU 389 HD22 LEU 389 11.422 2.165 2.563 143 HD23 LEU 389 HD23 LEU 389 10.023 2.722 3.478 144 H ILE 390 HN ILE 390 6.608 6.459 1.899 145 HA ILE 390 HA ILE 390 6.793 7.511 4.515 146 HB ILE 390 HB ILE 390 4.949 8.171 2.219 147 HG12 ILE 390 HG12 ILE 390 7.361 8.594 1.863 148 HG13 ILE 390 HG11 ILE 390 6.446 10.090 1.934 149 HG21 ILE 390 HG21 ILE 390 3.791 8.924 4.158 150 HG22 ILE 390 HG22 ILE 390 4.635 10.338 3.529 151 HG23 ILE 390 HG23 ILE 390 5.285 9.473 4.921 152 HD11 ILE 390 HD11 ILE 390 7.154 9.881 4.555 153 HD12 ILE 390 HD12 ILE 390 8.148 10.696 3.362 154 HD13 ILE 390 HD13 ILE 390 8.502 9.031 3.815 155 H LEU 391 HN LEU 391 4.278 5.715 2.821 156 HA LEU 391 HA LEU 391 2.292 5.871 4.798 157 HB2 LEU 391 HB2 LEU 391 2.907 3.944 2.578 158 HB3 LEU 391 HB1 LEU 391 1.586 3.605 3.695 159 HG LEU 391 HG LEU 391 1.741 6.343 2.441 160 HD11 LEU 391 HD11 LEU 391 1.970 4.995 0.477 161 HD12 LEU 391 HD12 LEU 391 0.259 5.405 0.587 162 HD13 LEU 391 HD13 LEU 391 0.814 3.804 1.076 163 HD21 LEU 391 HD21 LEU 391 0.066 5.556 4.242 164 HD22 LEU 391 HD22 LEU 391 -0.664 4.585 2.968 165 HD23 LEU 391 HD23 LEU 391 -0.606 6.343 2.817 166 H VAL 392 HN VAL 392 4.941 3.592 4.302 167 HA VAL 392 HA VAL 392 4.247 1.776 6.352 168 HB VAL 392 HB VAL 392 6.922 2.437 5.102 169 HG11 VAL 392 HG11 VAL 392 7.489 0.109 6.036 170 HG12 VAL 392 HG12 VAL 392 6.082 0.309 7.080 171 HG13 VAL 392 HG13 VAL 392 7.435 1.433 7.200 172 HG21 VAL 392 HG21 VAL 392 5.155 0.012 4.710 173 HG22 VAL 392 HG22 VAL 392 6.511 0.537 3.713 174 HG23 VAL 392 HG23 VAL 392 5.004 1.453 3.706 175 H LEU 393 HN LEU 393 6.244 4.685 6.312 176 HA LEU 393 HA LEU 393 7.301 4.459 8.921 177 HB2 LEU 393 HB2 LEU 393 6.896 6.692 6.972 178 HB3 LEU 393 HB1 LEU 393 7.312 7.114 8.629 179 HG LEU 393 HG LEU 393 8.940 4.995 7.227 180 HD11 LEU 393 HD11 LEU 393 9.271 7.990 6.868 181 HD12 LEU 393 HD12 LEU 393 8.872 6.828 5.604 182 HD13 LEU 393 HD13 LEU 393 10.455 6.777 6.380 183 HD21 LEU 393 HD21 LEU 393 9.779 7.204 9.117 184 HD22 LEU 393 HD22 LEU 393 10.640 5.709 8.746 185 HD23 LEU 393 HD23 LEU 393 9.153 5.660 9.689 186 H LEU 394 HN LEU 394 4.333 5.945 7.714 187 HA LEU 394 HA LEU 394 3.532 7.123 10.143 188 HB2 LEU 394 HB2 LEU 394 2.516 7.671 7.991 189 HB3 LEU 394 HB1 LEU 394 1.869 6.039 7.871 190 HG LEU 394 HG LEU 394 1.156 7.404 10.397 191 HD11 LEU 394 HD11 LEU 394 -0.662 8.749 9.240 192 HD12 LEU 394 HD12 LEU 394 0.238 8.514 7.740 193 HD13 LEU 394 HD13 LEU 394 0.975 9.386 9.086 194 HD21 LEU 394 HD21 LEU 394 -0.941 6.335 10.064 195 HD22 LEU 394 HD22 LEU 394 0.238 5.199 9.410 196 HD23 LEU 394 HD23 LEU 394 -0.697 6.220 8.319 197 H ALA 395 HN ALA 395 2.945 3.897 8.770 198 HA ALA 395 HA ALA 395 1.114 2.938 10.640 199 HB1 ALA 395 HB1 ALA 395 1.972 1.809 8.503 200 HB2 ALA 395 HB2 ALA 395 1.692 0.760 9.892 201 HB3 ALA 395 HB3 ALA 395 3.333 1.255 9.477 202 H TYR 396 HN TYR 396 4.667 2.775 10.705 203 HA TYR 396 HA TYR 396 4.883 1.497 13.214 204 HB2 TYR 396 HB2 TYR 396 6.767 1.559 11.680 205 HB3 TYR 396 HB1 TYR 396 6.826 3.318 11.775 206 HD1 TYR 396 HD1 TYR 396 7.100 0.217 13.844 207 HD2 TYR 396 HD2 TYR 396 8.039 4.396 13.500 208 HE1 TYR 396 HE1 TYR 396 8.545 0.059 15.854 209 HE2 TYR 396 HE2 TYR 396 9.483 4.237 15.510 210 HH TYR 396 HH TYR 396 10.274 2.922 17.104 211 H PHE 397 HN PHE 397 4.622 4.875 12.272 212 HA PHE 397 HA PHE 397 5.333 6.104 14.677 213 HB2 PHE 397 HB2 PHE 397 4.842 7.225 12.448 214 HB3 PHE 397 HB1 PHE 397 3.132 7.070 12.842 215 HD1 PHE 397 HD2 PHE 397 2.302 8.070 15.066 216 HD2 PHE 397 HD1 PHE 397 6.125 8.984 13.337 217 HE1 PHE 397 HE2 PHE 397 2.456 10.102 16.480 218 HE2 PHE 397 HE1 PHE 397 6.280 11.015 14.751 219 HZ PHE 397 HZ PHE 397 4.446 11.575 16.323 220 H ILE 398 HN ILE 398 2.169 4.903 13.578 221 HA ILE 398 HA ILE 398 0.715 5.715 15.862 222 HB ILE 398 HB ILE 398 0.187 3.523 13.839 223 HG12 ILE 398 HG12 ILE 398 -1.149 6.212 14.205 224 HG13 ILE 398 HG11 ILE 398 0.225 5.964 13.126 225 HG21 ILE 398 HG21 ILE 398 -1.056 2.877 15.759 226 HG22 ILE 398 HG22 ILE 398 -2.199 3.775 14.760 227 HG23 ILE 398 HG23 ILE 398 -1.453 4.547 16.160 228 HD11 ILE 398 HD11 ILE 398 -2.103 5.769 12.063 229 HD12 ILE 398 HD12 ILE 398 -2.264 4.258 12.958 230 HD13 ILE 398 HD13 ILE 398 -0.984 4.441 11.758 231 H GLY 399 HN GLY 399 2.392 2.679 15.055 232 HA2 GLY 399 HA2 GLY 399 1.557 1.206 17.307 233 HA3 GLY 399 HA1 GLY 399 3.007 0.895 16.359 234 H LEU 400 HN LEU 400 4.301 3.375 16.778 235 HA LEU 400 HA LEU 400 5.632 2.840 19.204 236 HB2 LEU 400 HB2 LEU 400 6.753 4.017 17.388 237 HB3 LEU 400 HB1 LEU 400 5.615 5.356 17.516 238 HG LEU 400 HG LEU 400 6.410 5.856 19.785 239 HD11 LEU 400 HD11 LEU 400 7.040 3.833 20.773 240 HD12 LEU 400 HD12 LEU 400 8.608 4.559 20.438 241 HD13 LEU 400 HD13 LEU 400 7.969 3.313 19.366 242 HD21 LEU 400 HD21 LEU 400 8.830 5.489 18.007 243 HD22 LEU 400 HD22 LEU 400 8.535 6.762 19.192 244 HD23 LEU 400 HD23 LEU 400 7.603 6.716 17.696 245 H LYS 401 HN LYS 401 3.150 5.224 18.349 246 HA LYS 401 HA LYS 401 3.141 6.529 20.877 247 HB2 LYS 401 HB2 LYS 401 2.248 7.527 18.776 248 HB3 LYS 401 HB1 LYS 401 0.911 6.378 18.838 249 HG2 LYS 401 HG2 LYS 401 0.217 7.263 21.017 250 HG3 LYS 401 HG1 LYS 401 1.583 8.380 21.015 251 HD2 LYS 401 HD2 LYS 401 0.702 9.448 18.966 252 HD3 LYS 401 HD1 LYS 401 -0.672 8.342 18.987 253 HE2 LYS 401 HE2 LYS 401 -1.353 9.214 21.188 254 HE3 LYS 401 HE1 LYS 401 0.027 10.312 21.183 255 HZ1 LYS 401 HZ1 LYS 401 -2.357 11.017 20.304 256 HZ2 LYS 401 HZ2 LYS 401 -1.725 10.389 18.858 257 HZ3 LYS 401 HZ3 LYS 401 -0.924 11.655 19.658 258 H HIS 402 HN HIS 402 2.048 6.100 22.721 259 HA HIS 402 HA HIS 402 0.943 3.491 23.099 260 HB2 HIS 402 HB2 HIS 402 0.548 4.196 25.383 261 HB3 HIS 402 HB1 HIS 402 2.131 4.787 24.876 262 HD1 HIS 402 HD1 HIS 402 2.188 7.369 24.064 263 HD2 HIS 402 HD2 HIS 402 -1.211 6.203 26.178 264 HE1 HIS 402 HE1 HIS 402 1.047 9.501 24.821 265 HE2 HIS 402 HE2 HIS 402 -1.027 8.805 26.111 266 H HIS 403 HN HIS 403 -1.145 2.827 23.181 267 HA HIS 403 HA HIS 403 -3.139 4.471 21.936 268 HB2 HIS 403 HB2 HIS 403 -2.952 1.946 21.747 269 HB3 HIS 403 HB1 HIS 403 -3.593 1.859 23.388 270 HD1 HIS 403 HD1 HIS 403 -6.076 2.487 23.744 271 HD2 HIS 403 HD2 HIS 403 -4.831 2.840 19.781 272 HE1 HIS 403 HE1 HIS 403 -8.174 2.797 22.358 273 HE2 HIS 403 HE2 HIS 403 -7.431 3.012 19.940 274 H HIS 404 HN HIS 404 -5.054 5.275 22.841 275 HA HIS 404 HA HIS 404 -4.809 6.281 25.508 276 HB2 HIS 404 HB2 HIS 404 -7.125 6.316 23.560 277 HB3 HIS 404 HB1 HIS 404 -7.094 7.190 25.092 278 HD1 HIS 404 HD1 HIS 404 -4.746 8.741 25.319 279 HD2 HIS 404 HD2 HIS 404 -6.185 7.886 21.501 280 HE1 HIS 404 HE1 HIS 404 -3.709 10.450 23.764 281 HE2 HIS 404 HE2 HIS 404 -4.576 9.942 21.432 282 H ALA 405 HN ALA 405 -5.776 5.628 27.370 283 HA ALA 405 HA ALA 405 -6.764 2.921 27.482 284 HB1 ALA 405 HB1 ALA 405 -6.542 5.049 29.625 285 HB2 ALA 405 HB2 ALA 405 -5.357 3.788 29.282 286 HB3 ALA 405 HB3 ALA 405 -6.947 3.356 29.912 287 H GLY 406 HN GLY 406 -8.159 5.952 26.929 288 HA2 GLY 406 HA2 GLY 406 -10.652 5.698 28.231 289 HA3 GLY 406 HA1 GLY 406 -10.334 6.696 26.816 290 H TYR 407 HN TYR 407 -9.519 4.649 25.041 291 HA TYR 407 HA TYR 407 -12.080 3.208 24.623 292 HB2 TYR 407 HB2 TYR 407 -10.035 4.204 22.623 293 HB3 TYR 407 HB1 TYR 407 -11.435 3.212 22.213 294 HD1 TYR 407 HD2 TYR 407 -13.763 4.081 22.882 295 HD2 TYR 407 HD1 TYR 407 -10.251 6.556 22.822 296 HE1 TYR 407 HE2 TYR 407 -15.191 6.107 22.807 297 HE2 TYR 407 HE1 TYR 407 -11.682 8.581 22.748 298 HH TYR 407 HH TYR 407 -15.217 8.327 22.511 299 H GLU 408 HN GLU 408 -12.062 1.051 24.263 300 HA GLU 408 HA GLU 408 -9.772 -0.436 25.090 301 HB2 GLU 408 HB2 GLU 408 -12.092 -1.211 25.476 302 HB3 GLU 408 HB1 GLU 408 -12.304 -1.402 23.736 303 HG2 GLU 408 HG2 GLU 408 -10.518 -3.066 23.662 304 HG3 GLU 408 HG1 GLU 408 -10.191 -2.830 25.378 305 H GLN 409 HN GLN 409 -8.045 -0.783 23.890 306 HA GLN 409 HA GLN 409 -7.738 -0.245 21.185 307 HB2 GLN 409 HB2 GLN 409 -5.635 -1.266 21.339 308 HB3 GLN 409 HB1 GLN 409 -5.960 -0.789 23.003 309 HG2 GLN 409 HG2 GLN 409 -6.965 -3.177 23.272 310 HG3 GLN 409 HG1 GLN 409 -6.126 -3.543 21.769 311 HE21 GLN 409 HE21 GLN 409 -5.325 -4.935 24.011 312 HE22 GLN 409 HE22 GLN 409 -3.810 -4.381 24.541 313 H PHE 410 HN PHE 410 -8.128 -1.319 19.314 314 HA PHE 410 HA PHE 410 -10.019 -3.370 19.172 315 HB2 PHE 410 HB2 PHE 410 -7.907 -2.505 17.188 316 HB3 PHE 410 HB1 PHE 410 -9.200 -3.643 16.811 317 HD1 PHE 410 HD2 PHE 410 -11.555 -2.922 16.788 318 HD2 PHE 410 HD1 PHE 410 -8.363 -0.144 17.528 319 HE1 PHE 410 HE2 PHE 410 -13.107 -1.031 16.382 320 HE2 PHE 410 HE1 PHE 410 -9.916 1.748 17.122 321 HZ PHE 410 HZ PHE 410 -12.287 1.304 16.548 Start of MODEL 18 1 H1 SER 369 HT1 SER 369 17.140 -4.233 -33.989 2 H2 SER 369 HT2 SER 369 15.953 -3.502 -34.959 3 H3 SER 369 HT3 SER 369 15.596 -4.925 -34.103 4 HA SER 369 HA SER 369 15.367 -3.873 -32.115 5 HB2 SER 369 HB2 SER 369 16.524 -1.792 -31.553 6 HB3 SER 369 HB1 SER 369 17.679 -2.956 -32.197 7 HG SER 369 HG SER 369 17.348 -0.563 -33.046 8 H ALA 370 HN ALA 370 14.427 -1.501 -31.520 9 HA ALA 370 HA ALA 370 12.977 -0.268 -33.708 10 HB1 ALA 370 HB1 ALA 370 11.582 -2.250 -33.219 11 HB2 ALA 370 HB2 ALA 370 10.752 -0.748 -32.810 12 HB3 ALA 370 HB3 ALA 370 11.463 -1.738 -31.535 13 H ASP 371 HN ASP 371 11.913 1.671 -33.083 14 HA ASP 371 HA ASP 371 13.045 2.857 -30.630 15 HB2 ASP 371 HB2 ASP 371 11.678 4.150 -33.015 16 HB3 ASP 371 HB1 ASP 371 12.294 5.015 -31.611 17 H ASP 372 HN ASP 372 11.804 2.606 -28.872 18 HA ASP 372 HA ASP 372 8.889 2.495 -29.098 19 HB2 ASP 372 HB2 ASP 372 10.251 0.944 -27.616 20 HB3 ASP 372 HB1 ASP 372 10.557 2.339 -26.584 21 H ASP 373 HN ASP 373 7.849 4.380 -29.200 22 HA ASP 373 HA ASP 373 8.943 6.775 -27.934 23 HB2 ASP 373 HB2 ASP 373 6.994 7.890 -29.018 24 HB3 ASP 373 HB1 ASP 373 8.020 7.023 -30.160 25 H ASN 374 HN ASN 374 7.191 4.218 -26.872 26 HA ASN 374 HA ASN 374 5.110 5.542 -25.404 27 HB2 ASN 374 HB2 ASN 374 6.317 2.778 -25.243 28 HB3 ASN 374 HB1 ASN 374 5.012 3.316 -24.187 29 HD21 ASN 374 HD21 ASN 374 4.656 1.177 -26.087 30 HD22 ASN 374 HD22 ASN 374 3.549 1.703 -27.261 31 H PHE 375 HN PHE 375 5.069 6.149 -23.266 32 HA PHE 375 HA PHE 375 7.420 7.086 -22.078 33 HB2 PHE 375 HB2 PHE 375 4.734 6.433 -20.848 34 HB3 PHE 375 HB1 PHE 375 6.023 7.291 -20.004 35 HD1 PHE 375 HD2 PHE 375 6.847 9.489 -20.890 36 HD2 PHE 375 HD1 PHE 375 3.377 7.526 -22.488 37 HE1 PHE 375 HE2 PHE 375 6.140 11.612 -21.960 38 HE2 PHE 375 HE1 PHE 375 2.670 9.649 -23.559 39 HZ PHE 375 HZ PHE 375 4.051 11.691 -23.295 40 H LEU 376 HN LEU 376 8.881 5.296 -22.220 41 HA LEU 376 HA LEU 376 8.406 2.859 -20.786 42 HB2 LEU 376 HB2 LEU 376 10.029 3.262 -22.759 43 HB3 LEU 376 HB1 LEU 376 11.125 3.921 -21.545 44 HG LEU 376 HG LEU 376 10.604 1.672 -20.253 45 HD11 LEU 376 HD11 LEU 376 10.303 -0.215 -21.900 46 HD12 LEU 376 HD12 LEU 376 9.904 0.986 -23.126 47 HD13 LEU 376 HD13 LEU 376 8.873 0.797 -21.708 48 HD21 LEU 376 HD21 LEU 376 12.358 1.767 -22.729 49 HD22 LEU 376 HD22 LEU 376 12.497 0.582 -21.430 50 HD23 LEU 376 HD23 LEU 376 12.821 2.287 -21.109 51 H VAL 377 HN VAL 377 9.247 2.203 -18.806 52 HA VAL 377 HA VAL 377 9.430 2.655 -16.519 53 HB VAL 377 HB VAL 377 11.827 3.459 -16.072 54 HG11 VAL 377 HG11 VAL 377 11.216 1.101 -17.875 55 HG12 VAL 377 HG12 VAL 377 11.336 1.102 -16.115 56 HG13 VAL 377 HG13 VAL 377 12.781 1.344 -17.098 57 HG21 VAL 377 HG21 VAL 377 13.309 3.591 -17.991 58 HG22 VAL 377 HG22 VAL 377 11.992 4.737 -18.236 59 HG23 VAL 377 HG23 VAL 377 11.989 3.195 -19.091 60 HA PRO 378 HA PRO 378 8.239 7.164 -16.938 61 HB2 PRO 378 HB2 PRO 378 6.099 6.242 -15.072 62 HB3 PRO 378 HB1 PRO 378 5.964 7.216 -16.551 63 HG2 PRO 378 HG2 PRO 378 5.181 4.661 -16.483 64 HG3 PRO 378 HG1 PRO 378 5.929 5.367 -17.927 65 HD2 PRO 378 HD2 PRO 378 7.146 3.536 -15.879 66 HD3 PRO 378 HD1 PRO 378 7.393 3.582 -17.639 67 H ILE 379 HN ILE 379 8.713 8.774 -15.474 68 HA ILE 379 HA ILE 379 10.327 8.141 -13.238 69 HB ILE 379 HB ILE 379 8.968 10.722 -14.054 70 HG12 ILE 379 HG12 ILE 379 11.881 9.897 -14.209 71 HG13 ILE 379 HG11 ILE 379 10.752 9.690 -15.548 72 HG21 ILE 379 HG21 ILE 379 10.929 10.090 -11.838 73 HG22 ILE 379 HG22 ILE 379 9.384 10.929 -11.711 74 HG23 ILE 379 HG23 ILE 379 10.750 11.715 -12.501 75 HD11 ILE 379 HD11 ILE 379 10.365 12.055 -15.700 76 HD12 ILE 379 HD12 ILE 379 12.114 11.833 -15.615 77 HD13 ILE 379 HD13 ILE 379 11.220 12.352 -14.186 78 H ALA 380 HN ALA 380 6.948 9.193 -13.532 79 HA ALA 380 HA ALA 380 6.227 9.632 -10.946 80 HB1 ALA 380 HB1 ALA 380 4.721 8.289 -13.189 81 HB2 ALA 380 HB2 ALA 380 4.502 9.899 -12.509 82 HB3 ALA 380 HB3 ALA 380 3.988 8.483 -11.595 83 H VAL 381 HN VAL 381 7.421 6.667 -12.234 84 HA VAL 381 HA VAL 381 6.249 4.872 -10.365 85 HB VAL 381 HB VAL 381 8.765 4.683 -12.042 86 HG11 VAL 381 HG11 VAL 381 7.489 2.697 -10.153 87 HG12 VAL 381 HG12 VAL 381 9.170 3.230 -10.198 88 HG13 VAL 381 HG13 VAL 381 8.538 2.193 -11.478 89 HG21 VAL 381 HG21 VAL 381 5.946 3.586 -12.272 90 HG22 VAL 381 HG22 VAL 381 7.292 2.934 -13.203 91 HG23 VAL 381 HG23 VAL 381 6.803 4.611 -13.424 92 H GLY 382 HN GLY 382 9.311 6.690 -10.385 93 HA2 GLY 382 HA2 GLY 382 10.361 5.607 -7.990 94 HA3 GLY 382 HA1 GLY 382 10.815 7.154 -8.703 95 H ALA 383 HN ALA 383 8.213 8.344 -8.634 96 HA ALA 383 HA ALA 383 8.227 9.448 -6.030 97 HB1 ALA 383 HB1 ALA 383 7.339 10.701 -7.918 98 HB2 ALA 383 HB2 ALA 383 6.069 10.488 -6.713 99 HB3 ALA 383 HB3 ALA 383 6.082 9.490 -8.167 100 H ALA 384 HN ALA 384 6.289 6.918 -7.553 101 HA ALA 384 HA ALA 384 4.424 6.571 -5.454 102 HB1 ALA 384 HB1 ALA 384 5.397 4.403 -7.320 103 HB2 ALA 384 HB2 ALA 384 4.263 5.656 -7.823 104 HB3 ALA 384 HB3 ALA 384 3.821 4.533 -6.538 105 H LEU 385 HN LEU 385 7.614 5.197 -6.088 106 HA LEU 385 HA LEU 385 7.580 3.207 -4.091 107 HB2 LEU 385 HB2 LEU 385 9.278 3.747 -6.062 108 HB3 LEU 385 HB1 LEU 385 10.131 4.632 -4.802 109 HG LEU 385 HG LEU 385 9.354 1.702 -4.733 110 HD11 LEU 385 HD11 LEU 385 12.058 3.066 -4.853 111 HD12 LEU 385 HD12 LEU 385 11.266 2.243 -6.196 112 HD13 LEU 385 HD13 LEU 385 11.781 1.325 -4.782 113 HD21 LEU 385 HD21 LEU 385 10.497 3.556 -2.648 114 HD22 LEU 385 HD22 LEU 385 10.918 1.844 -2.631 115 HD23 LEU 385 HD23 LEU 385 9.235 2.334 -2.478 116 H ALA 386 HN ALA 386 8.611 6.612 -4.022 117 HA ALA 386 HA ALA 386 9.588 6.638 -1.370 118 HB1 ALA 386 HB1 ALA 386 10.043 8.451 -2.975 119 HB2 ALA 386 HB2 ALA 386 9.312 9.078 -1.499 120 HB3 ALA 386 HB3 ALA 386 8.337 8.896 -2.958 121 H GLY 387 HN GLY 387 6.370 7.030 -2.738 122 HA2 GLY 387 HA2 GLY 387 5.022 7.951 -0.437 123 HA3 GLY 387 HA1 GLY 387 4.282 7.078 -1.775 124 H VAL 388 HN VAL 388 5.778 4.702 -1.606 125 HA VAL 388 HA VAL 388 4.291 3.257 0.307 126 HB VAL 388 HB VAL 388 6.798 2.463 -1.179 127 HG11 VAL 388 HG11 VAL 388 5.809 0.139 -0.726 128 HG12 VAL 388 HG12 VAL 388 4.782 0.928 0.475 129 HG13 VAL 388 HG13 VAL 388 6.539 0.961 0.653 130 HG21 VAL 388 HG21 VAL 388 3.933 1.711 -1.797 131 HG22 VAL 388 HG22 VAL 388 5.350 1.557 -2.836 132 HG23 VAL 388 HG23 VAL 388 4.681 3.151 -2.488 133 H LEU 389 HN LEU 389 7.670 4.368 0.288 134 HA LEU 389 HA LEU 389 8.420 3.130 2.727 135 HB2 LEU 389 HB2 LEU 389 9.543 5.304 1.013 136 HB3 LEU 389 HB1 LEU 389 10.115 5.240 2.679 137 HG LEU 389 HG LEU 389 10.074 2.691 1.052 138 HD11 LEU 389 HD11 LEU 389 12.517 3.301 0.476 139 HD12 LEU 389 HD12 LEU 389 12.049 4.969 0.812 140 HD13 LEU 389 HD13 LEU 389 11.252 4.072 -0.481 141 HD21 LEU 389 HD21 LEU 389 10.610 2.892 3.563 142 HD22 LEU 389 HD22 LEU 389 12.102 3.693 3.060 143 HD23 LEU 389 HD23 LEU 389 11.784 2.031 2.565 144 H ILE 390 HN ILE 390 7.062 6.339 2.024 145 HA ILE 390 HA ILE 390 7.176 7.294 4.696 146 HB ILE 390 HB ILE 390 5.444 8.085 2.344 147 HG12 ILE 390 HG12 ILE 390 7.823 9.477 3.647 148 HG13 ILE 390 HG11 ILE 390 7.949 8.455 2.216 149 HG21 ILE 390 HG21 ILE 390 4.217 8.790 4.259 150 HG22 ILE 390 HG22 ILE 390 5.132 10.213 3.758 151 HG23 ILE 390 HG23 ILE 390 5.683 9.246 5.126 152 HD11 ILE 390 HD11 ILE 390 6.953 10.026 0.847 153 HD12 ILE 390 HD12 ILE 390 7.660 11.107 2.041 154 HD13 ILE 390 HD13 ILE 390 5.952 10.689 2.143 155 H LEU 391 HN LEU 391 4.702 5.585 2.835 156 HA LEU 391 HA LEU 391 2.610 5.708 4.689 157 HB2 LEU 391 HB2 LEU 391 3.364 3.780 2.516 158 HB3 LEU 391 HB1 LEU 391 1.973 3.441 3.540 159 HG LEU 391 HG LEU 391 2.227 6.163 2.255 160 HD11 LEU 391 HD11 LEU 391 2.502 4.760 0.333 161 HD12 LEU 391 HD12 LEU 391 0.792 5.184 0.371 162 HD13 LEU 391 HD13 LEU 391 1.319 3.595 0.925 163 HD21 LEU 391 HD21 LEU 391 -0.108 4.367 3.000 164 HD22 LEU 391 HD22 LEU 391 -0.251 5.984 2.313 165 HD23 LEU 391 HD23 LEU 391 0.446 5.766 3.917 166 H VAL 392 HN VAL 392 5.270 3.385 4.364 167 HA VAL 392 HA VAL 392 4.428 1.589 6.384 168 HB VAL 392 HB VAL 392 7.176 2.195 5.270 169 HG11 VAL 392 HG11 VAL 392 7.672 -0.129 6.246 170 HG12 VAL 392 HG12 VAL 392 6.216 0.088 7.218 171 HG13 VAL 392 HG13 VAL 392 7.572 1.201 7.400 172 HG21 VAL 392 HG21 VAL 392 5.414 -0.220 4.810 173 HG22 VAL 392 HG22 VAL 392 6.811 0.305 3.869 174 HG23 VAL 392 HG23 VAL 392 5.305 1.219 3.797 175 H LEU 393 HN LEU 393 6.532 4.439 6.454 176 HA LEU 393 HA LEU 393 7.403 4.204 9.131 177 HB2 LEU 393 HB2 LEU 393 7.225 6.432 7.138 178 HB3 LEU 393 HB1 LEU 393 7.546 6.857 8.815 179 HG LEU 393 HG LEU 393 9.179 4.660 7.538 180 HD11 LEU 393 HD11 LEU 393 10.832 6.424 6.848 181 HD12 LEU 393 HD12 LEU 393 9.593 7.642 7.158 182 HD13 LEU 393 HD13 LEU 393 9.350 6.437 5.893 183 HD21 LEU 393 HD21 LEU 393 10.020 6.846 9.451 184 HD22 LEU 393 HD22 LEU 393 10.785 5.282 9.175 185 HD23 LEU 393 HD23 LEU 393 9.237 5.370 10.015 186 H LEU 394 HN LEU 394 4.564 5.809 7.725 187 HA LEU 394 HA LEU 394 3.643 7.048 10.090 188 HB2 LEU 394 HB2 LEU 394 2.806 7.627 7.860 189 HB3 LEU 394 HB1 LEU 394 2.078 6.033 7.710 190 HG LEU 394 HG LEU 394 1.273 7.498 10.161 191 HD11 LEU 394 HD11 LEU 394 1.319 9.411 8.665 192 HD12 LEU 394 HD12 LEU 394 -0.359 8.928 8.915 193 HD13 LEU 394 HD13 LEU 394 0.467 8.500 7.417 194 HD21 LEU 394 HD21 LEU 394 -0.842 6.505 9.718 195 HD22 LEU 394 HD22 LEU 394 0.324 5.296 9.183 196 HD23 LEU 394 HD23 LEU 394 -0.488 6.319 8.000 197 H ALA 395 HN ALA 395 3.008 3.834 8.705 198 HA ALA 395 HA ALA 395 1.021 2.990 10.484 199 HB1 ALA 395 HB1 ALA 395 1.569 0.755 9.823 200 HB2 ALA 395 HB2 ALA 395 3.210 1.221 9.380 201 HB3 ALA 395 HB3 ALA 395 1.845 1.778 8.412 202 H TYR 396 HN TYR 396 4.560 2.644 10.710 203 HA TYR 396 HA TYR 396 4.575 1.400 13.256 204 HB2 TYR 396 HB2 TYR 396 6.520 1.286 11.794 205 HB3 TYR 396 HB1 TYR 396 6.709 3.039 11.865 206 HD1 TYR 396 HD1 TYR 396 6.690 -0.047 13.966 207 HD2 TYR 396 HD2 TYR 396 7.890 4.066 13.648 208 HE1 TYR 396 HE1 TYR 396 8.032 -0.278 16.039 209 HE2 TYR 396 HE2 TYR 396 9.230 3.834 15.722 210 HH TYR 396 HH TYR 396 9.754 2.509 17.433 211 H PHE 397 HN PHE 397 4.596 4.754 12.204 212 HA PHE 397 HA PHE 397 5.289 6.008 14.604 213 HB2 PHE 397 HB2 PHE 397 5.009 7.098 12.339 214 HB3 PHE 397 HB1 PHE 397 3.268 7.051 12.608 215 HD1 PHE 397 HD2 PHE 397 2.327 8.180 14.711 216 HD2 PHE 397 HD1 PHE 397 6.335 8.799 13.299 217 HE1 PHE 397 HE2 PHE 397 2.485 10.252 16.066 218 HE2 PHE 397 HE1 PHE 397 6.495 10.869 14.656 219 HZ PHE 397 HZ PHE 397 4.569 11.596 16.039 220 H ILE 398 HN ILE 398 2.085 5.010 13.395 221 HA ILE 398 HA ILE 398 0.624 5.993 15.615 222 HB ILE 398 HB ILE 398 -0.034 3.822 13.603 223 HG12 ILE 398 HG12 ILE 398 -1.136 6.626 13.892 224 HG13 ILE 398 HG11 ILE 398 0.243 6.244 12.858 225 HG21 ILE 398 HG21 ILE 398 -1.372 3.351 15.529 226 HG22 ILE 398 HG22 ILE 398 -2.405 4.274 14.437 227 HG23 ILE 398 HG23 ILE 398 -1.664 5.066 15.827 228 HD11 ILE 398 HD11 ILE 398 -2.398 4.787 12.643 229 HD12 ILE 398 HD12 ILE 398 -1.065 4.788 11.489 230 HD13 ILE 398 HD13 ILE 398 -2.041 6.241 11.711 231 H GLY 399 HN GLY 399 2.075 2.824 14.908 232 HA2 GLY 399 HA2 GLY 399 1.069 1.455 17.160 233 HA3 GLY 399 HA1 GLY 399 2.511 1.011 16.252 234 H LEU 400 HN LEU 400 3.839 3.574 16.716 235 HA LEU 400 HA LEU 400 5.236 2.939 19.076 236 HB2 LEU 400 HB2 LEU 400 6.248 4.276 17.295 237 HB3 LEU 400 HB1 LEU 400 5.082 5.565 17.565 238 HG LEU 400 HG LEU 400 5.960 5.922 19.833 239 HD11 LEU 400 HD11 LEU 400 8.229 4.671 20.281 240 HD12 LEU 400 HD12 LEU 400 7.594 3.486 19.139 241 HD13 LEU 400 HD13 LEU 400 6.711 3.846 20.622 242 HD21 LEU 400 HD21 LEU 400 8.151 6.815 19.203 243 HD22 LEU 400 HD22 LEU 400 7.002 7.085 17.893 244 HD23 LEU 400 HD23 LEU 400 8.184 5.782 17.773 245 H LYS 401 HN LYS 401 2.654 5.297 18.433 246 HA LYS 401 HA LYS 401 2.600 6.129 21.231 247 HB2 LYS 401 HB2 LYS 401 0.964 6.944 18.821 248 HB3 LYS 401 HB1 LYS 401 0.739 7.608 20.440 249 HG2 LYS 401 HG2 LYS 401 3.085 8.367 20.463 250 HG3 LYS 401 HG1 LYS 401 3.316 7.703 18.845 251 HD2 LYS 401 HD2 LYS 401 1.579 9.216 17.967 252 HD3 LYS 401 HD1 LYS 401 1.334 9.876 19.584 253 HE2 LYS 401 HE2 LYS 401 3.677 10.645 19.631 254 HE3 LYS 401 HE1 LYS 401 3.928 9.984 18.016 255 HZ1 LYS 401 HZ1 LYS 401 1.969 11.444 17.359 256 HZ2 LYS 401 HZ2 LYS 401 3.451 12.218 17.663 257 HZ3 LYS 401 HZ3 LYS 401 2.218 12.249 18.830 258 H HIS 402 HN HIS 402 0.969 5.704 22.671 259 HA HIS 402 HA HIS 402 -0.647 4.429 23.694 260 HB2 HIS 402 HB2 HIS 402 -1.850 4.683 20.929 261 HB3 HIS 402 HB1 HIS 402 -2.714 4.057 22.334 262 HD1 HIS 402 HD1 HIS 402 -1.510 7.210 20.775 263 HD2 HIS 402 HD2 HIS 402 -3.182 6.028 24.406 264 HE1 HIS 402 HE1 HIS 402 -2.230 9.332 21.957 265 HE2 HIS 402 HE2 HIS 402 -3.252 8.628 24.172 266 H HIS 403 HN HIS 403 0.607 2.581 24.077 267 HA HIS 403 HA HIS 403 0.919 0.524 22.094 268 HB2 HIS 403 HB2 HIS 403 2.600 0.746 23.826 269 HB3 HIS 403 HB1 HIS 403 1.385 0.541 25.087 270 HD1 HIS 403 HD1 HIS 403 2.963 -1.396 22.221 271 HD2 HIS 403 HD2 HIS 403 0.861 -2.116 25.749 272 HE1 HIS 403 HE1 HIS 403 2.965 -3.906 22.556 273 HE2 HIS 403 HE2 HIS 403 1.688 -4.362 24.702 274 H HIS 404 HN HIS 404 -0.452 -1.073 21.603 275 HA HIS 404 HA HIS 404 -2.834 -1.478 23.325 276 HB2 HIS 404 HB2 HIS 404 -2.396 -2.063 20.385 277 HB3 HIS 404 HB1 HIS 404 -3.869 -2.433 21.282 278 HD1 HIS 404 HD1 HIS 404 -5.045 -0.261 22.453 279 HD2 HIS 404 HD2 HIS 404 -2.322 0.528 19.395 280 HE1 HIS 404 HE1 HIS 404 -5.472 2.123 21.711 281 HE2 HIS 404 HE2 HIS 404 -3.820 2.618 19.848 282 H ALA 405 HN ALA 405 -2.969 -3.313 24.426 283 HA ALA 405 HA ALA 405 -0.999 -5.392 24.091 284 HB1 ALA 405 HB1 ALA 405 -2.238 -6.490 25.951 285 HB2 ALA 405 HB2 ALA 405 -3.436 -5.197 25.877 286 HB3 ALA 405 HB3 ALA 405 -1.770 -4.832 26.327 287 H GLY 406 HN GLY 406 -3.996 -4.692 22.691 288 HA2 GLY 406 HA2 GLY 406 -5.112 -7.263 22.350 289 HA3 GLY 406 HA1 GLY 406 -5.418 -5.869 21.319 290 H TYR 407 HN TYR 407 -2.750 -5.423 20.458 291 HA TYR 407 HA TYR 407 -2.323 -7.795 18.721 292 HB2 TYR 407 HB2 TYR 407 -1.821 -4.854 18.210 293 HB3 TYR 407 HB1 TYR 407 -1.295 -6.150 17.136 294 HD1 TYR 407 HD2 TYR 407 -3.061 -7.769 16.233 295 HD2 TYR 407 HD1 TYR 407 -4.045 -4.034 18.115 296 HE1 TYR 407 HE2 TYR 407 -5.316 -7.846 15.205 297 HE2 TYR 407 HE1 TYR 407 -6.302 -4.112 17.087 298 HH TYR 407 HH TYR 407 -7.646 -5.191 15.686 299 H GLU 408 HN GLU 408 -0.367 -8.746 18.705 300 HA GLU 408 HA GLU 408 1.728 -7.621 20.462 301 HB2 GLU 408 HB2 GLU 408 0.917 -9.932 20.926 302 HB3 GLU 408 HB1 GLU 408 1.469 -10.416 19.321 303 HG2 GLU 408 HG2 GLU 408 3.770 -9.784 19.896 304 HG3 GLU 408 HG1 GLU 408 3.237 -9.234 21.484 305 H GLN 409 HN GLN 409 3.270 -6.514 19.472 306 HA GLN 409 HA GLN 409 4.279 -7.460 16.850 307 HB2 GLN 409 HB2 GLN 409 4.613 -5.085 16.205 308 HB3 GLN 409 HB1 GLN 409 2.911 -5.489 16.423 309 HG2 GLN 409 HG2 GLN 409 4.628 -4.193 18.564 310 HG3 GLN 409 HG1 GLN 409 3.582 -3.299 17.465 311 HE21 GLN 409 HE21 GLN 409 3.576 -4.261 20.558 312 HE22 GLN 409 HE22 GLN 409 1.933 -4.628 20.776 313 H PHE 410 HN PHE 410 6.481 -7.237 16.512 314 HA PHE 410 HA PHE 410 8.236 -5.824 18.234 315 HB2 PHE 410 HB2 PHE 410 7.629 -7.535 19.867 316 HB3 PHE 410 HB1 PHE 410 8.030 -8.808 18.713 317 HD1 PHE 410 HD1 PHE 410 9.493 -5.855 20.484 318 HD2 PHE 410 HD2 PHE 410 10.243 -9.622 18.558 319 HE1 PHE 410 HE1 PHE 410 11.865 -5.749 21.198 320 HE2 PHE 410 HE2 PHE 410 12.615 -9.515 19.273 321 HZ PHE 410 HZ PHE 410 13.427 -7.578 20.592 Start of MODEL 19 1 H1 SER 369 HT1 SER 369 23.130 -2.331 -21.979 2 H2 SER 369 HT2 SER 369 23.019 -0.809 -22.724 3 H3 SER 369 HT3 SER 369 23.571 -2.150 -23.607 4 HA SER 369 HA SER 369 21.524 -2.641 -24.233 5 HB2 SER 369 HB2 SER 369 21.146 -2.721 -21.245 6 HB3 SER 369 HB1 SER 369 19.786 -2.999 -22.329 7 HG SER 369 HG SER 369 22.106 -4.508 -21.911 8 H ALA 370 HN ALA 370 20.843 -0.542 -21.423 9 HA ALA 370 HA ALA 370 20.030 1.653 -23.134 10 HB1 ALA 370 HB1 ALA 370 17.990 0.398 -23.261 11 HB2 ALA 370 HB2 ALA 370 17.718 1.716 -22.120 12 HB3 ALA 370 HB3 ALA 370 18.009 0.081 -21.526 13 H ASP 371 HN ASP 371 19.712 3.597 -21.986 14 HA ASP 371 HA ASP 371 20.110 3.571 -19.080 15 HB2 ASP 371 HB2 ASP 371 22.387 3.633 -20.052 16 HB3 ASP 371 HB1 ASP 371 21.947 5.086 -20.947 17 H ASP 372 HN ASP 372 18.938 5.113 -18.116 18 HA ASP 372 HA ASP 372 17.492 6.873 -17.848 19 HB2 ASP 372 HB2 ASP 372 19.621 8.087 -18.455 20 HB3 ASP 372 HB1 ASP 372 19.027 8.152 -20.114 21 H ASP 373 HN ASP 373 16.723 4.745 -19.644 22 HA ASP 373 HA ASP 373 15.391 5.992 -21.909 23 HB2 ASP 373 HB2 ASP 373 16.310 3.698 -22.063 24 HB3 ASP 373 HB1 ASP 373 15.169 3.175 -20.825 25 H ASN 374 HN ASN 374 13.568 7.094 -21.646 26 HA ASN 374 HA ASN 374 11.970 7.014 -19.310 27 HB2 ASN 374 HB2 ASN 374 12.049 8.979 -20.765 28 HB3 ASN 374 HB1 ASN 374 11.307 8.057 -22.072 29 HD21 ASN 374 HD21 ASN 374 9.921 10.303 -21.281 30 HD22 ASN 374 HD22 ASN 374 8.553 9.874 -20.373 31 H PHE 375 HN PHE 375 11.672 5.473 -22.479 32 HA PHE 375 HA PHE 375 9.085 4.429 -22.196 33 HB2 PHE 375 HB2 PHE 375 10.347 4.437 -24.325 34 HB3 PHE 375 HB1 PHE 375 11.438 3.217 -23.665 35 HD1 PHE 375 HD1 PHE 375 7.738 3.818 -23.995 36 HD2 PHE 375 HD2 PHE 375 10.966 0.986 -24.191 37 HE1 PHE 375 HE1 PHE 375 6.144 2.043 -24.658 38 HE2 PHE 375 HE2 PHE 375 9.369 -0.787 -24.854 39 HZ PHE 375 HZ PHE 375 6.957 -0.260 -25.088 40 H LEU 376 HN LEU 376 12.239 3.007 -21.363 41 HA LEU 376 HA LEU 376 10.872 0.767 -20.024 42 HB2 LEU 376 HB2 LEU 376 13.693 1.310 -20.917 43 HB3 LEU 376 HB1 LEU 376 13.398 0.081 -19.687 44 HG LEU 376 HG LEU 376 11.730 0.028 -22.208 45 HD11 LEU 376 HD11 LEU 376 14.546 -1.059 -21.937 46 HD12 LEU 376 HD12 LEU 376 14.030 0.231 -23.025 47 HD13 LEU 376 HD13 LEU 376 13.439 -1.414 -23.265 48 HD21 LEU 376 HD21 LEU 376 12.920 -2.239 -20.600 49 HD22 LEU 376 HD22 LEU 376 11.524 -2.279 -21.674 50 HD23 LEU 376 HD23 LEU 376 11.416 -1.460 -20.121 51 H VAL 377 HN VAL 377 10.721 0.562 -17.887 52 HA VAL 377 HA VAL 377 10.784 1.143 -15.664 53 HB VAL 377 HB VAL 377 13.583 2.068 -16.334 54 HG11 VAL 377 HG11 VAL 377 13.955 1.388 -13.931 55 HG12 VAL 377 HG12 VAL 377 12.208 1.203 -13.775 56 HG13 VAL 377 HG13 VAL 377 12.899 2.786 -14.128 57 HG21 VAL 377 HG21 VAL 377 14.258 -0.221 -15.764 58 HG22 VAL 377 HG22 VAL 377 13.114 -0.251 -17.106 59 HG23 VAL 377 HG23 VAL 377 12.575 -0.665 -15.477 60 HA PRO 378 HA PRO 378 9.843 5.560 -16.832 61 HB2 PRO 378 HB2 PRO 378 7.478 4.885 -15.122 62 HB3 PRO 378 HB1 PRO 378 7.529 5.697 -16.700 63 HG2 PRO 378 HG2 PRO 378 6.689 3.182 -16.478 64 HG3 PRO 378 HG1 PRO 378 7.678 3.694 -17.863 65 HD2 PRO 378 HD2 PRO 378 8.512 2.142 -15.425 66 HD3 PRO 378 HD1 PRO 378 8.997 1.919 -17.125 67 H ILE 379 HN ILE 379 10.162 7.356 -15.540 68 HA ILE 379 HA ILE 379 11.472 7.022 -13.058 69 HB ILE 379 HB ILE 379 10.282 9.475 -14.369 70 HG12 ILE 379 HG12 ILE 379 13.169 8.603 -14.058 71 HG13 ILE 379 HG11 ILE 379 12.202 8.249 -15.490 72 HG21 ILE 379 HG21 ILE 379 11.907 9.115 -11.843 73 HG22 ILE 379 HG22 ILE 379 10.413 10.025 -12.062 74 HG23 ILE 379 HG23 ILE 379 11.921 10.635 -12.737 75 HD11 ILE 379 HD11 ILE 379 13.588 10.326 -15.725 76 HD12 ILE 379 HD12 ILE 379 12.667 11.039 -14.400 77 HD13 ILE 379 HD13 ILE 379 11.859 10.618 -15.911 78 H ALA 380 HN ALA 380 8.180 8.035 -13.897 79 HA ALA 380 HA ALA 380 7.161 8.859 -11.514 80 HB1 ALA 380 HB1 ALA 380 5.001 7.633 -12.249 81 HB2 ALA 380 HB2 ALA 380 5.921 7.161 -13.679 82 HB3 ALA 380 HB3 ALA 380 5.662 8.863 -13.323 83 H VAL 381 HN VAL 381 8.411 5.739 -12.223 84 HA VAL 381 HA VAL 381 6.982 4.213 -10.311 85 HB VAL 381 HB VAL 381 9.691 3.832 -11.603 86 HG11 VAL 381 HG11 VAL 381 9.853 2.626 -9.568 87 HG12 VAL 381 HG12 VAL 381 9.351 1.429 -10.761 88 HG13 VAL 381 HG13 VAL 381 8.168 2.113 -9.645 89 HG21 VAL 381 HG21 VAL 381 6.918 2.698 -12.057 90 HG22 VAL 381 HG22 VAL 381 8.369 1.961 -12.727 91 HG23 VAL 381 HG23 VAL 381 7.916 3.591 -13.202 92 H GLY 382 HN GLY 382 10.041 6.005 -10.175 93 HA2 GLY 382 HA2 GLY 382 10.801 5.220 -7.579 94 HA3 GLY 382 HA1 GLY 382 11.327 6.688 -8.401 95 H ALA 383 HN ALA 383 8.758 7.863 -8.757 96 HA ALA 383 HA ALA 383 8.466 9.242 -6.314 97 HB1 ALA 383 HB1 ALA 383 6.698 9.016 -8.752 98 HB2 ALA 383 HB2 ALA 383 7.756 10.352 -8.296 99 HB3 ALA 383 HB3 ALA 383 6.285 10.039 -7.375 100 H ALA 384 HN ALA 384 6.667 6.552 -7.748 101 HA ALA 384 HA ALA 384 4.619 6.416 -5.798 102 HB1 ALA 384 HB1 ALA 384 4.649 5.281 -8.070 103 HB2 ALA 384 HB2 ALA 384 4.098 4.277 -6.728 104 HB3 ALA 384 HB3 ALA 384 5.731 4.081 -7.363 105 H LEU 385 HN LEU 385 7.846 5.003 -6.001 106 HA LEU 385 HA LEU 385 7.616 3.207 -3.848 107 HB2 LEU 385 HB2 LEU 385 9.535 3.611 -5.661 108 HB3 LEU 385 HB1 LEU 385 10.222 4.622 -4.396 109 HG LEU 385 HG LEU 385 9.405 1.722 -4.048 110 HD11 LEU 385 HD11 LEU 385 11.900 1.415 -3.794 111 HD12 LEU 385 HD12 LEU 385 12.090 3.052 -4.423 112 HD13 LEU 385 HD13 LEU 385 11.358 1.800 -5.428 113 HD21 LEU 385 HD21 LEU 385 10.925 2.172 -1.920 114 HD22 LEU 385 HD22 LEU 385 9.229 2.606 -1.907 115 HD23 LEU 385 HD23 LEU 385 10.452 3.848 -2.186 116 H ALA 386 HN ALA 386 8.660 6.602 -3.969 117 HA ALA 386 HA ALA 386 9.368 6.850 -1.249 118 HB1 ALA 386 HB1 ALA 386 8.922 9.324 -1.669 119 HB2 ALA 386 HB2 ALA 386 8.452 8.863 -3.306 120 HB3 ALA 386 HB3 ALA 386 10.095 8.558 -2.741 121 H GLY 387 HN GLY 387 6.296 7.228 -2.949 122 HA2 GLY 387 HA2 GLY 387 4.804 8.341 -0.826 123 HA3 GLY 387 HA1 GLY 387 4.135 7.445 -2.187 124 H VAL 388 HN VAL 388 5.452 4.986 -1.765 125 HA VAL 388 HA VAL 388 3.719 3.758 0.104 126 HB VAL 388 HB VAL 388 6.250 2.728 -1.190 127 HG11 VAL 388 HG11 VAL 388 5.867 1.338 0.698 128 HG12 VAL 388 HG12 VAL 388 5.105 0.484 -0.642 129 HG13 VAL 388 HG13 VAL 388 4.115 1.404 0.495 130 HG21 VAL 388 HG21 VAL 388 4.810 1.772 -2.832 131 HG22 VAL 388 HG22 VAL 388 4.239 3.428 -2.633 132 HG23 VAL 388 HG23 VAL 388 3.369 2.098 -1.869 133 H LEU 389 HN LEU 389 7.135 4.667 0.253 134 HA LEU 389 HA LEU 389 7.731 3.535 2.744 135 HB2 LEU 389 HB2 LEU 389 9.380 4.475 1.094 136 HB3 LEU 389 HB1 LEU 389 8.887 6.084 1.594 137 HG LEU 389 HG LEU 389 9.387 4.731 4.044 138 HD11 LEU 389 HD11 LEU 389 10.516 2.949 2.748 139 HD12 LEU 389 HD12 LEU 389 11.652 3.839 3.759 140 HD13 LEU 389 HD13 LEU 389 11.576 4.159 2.027 141 HD21 LEU 389 HD21 LEU 389 9.880 7.090 3.542 142 HD22 LEU 389 HD22 LEU 389 11.174 6.595 2.453 143 HD23 LEU 389 HD23 LEU 389 11.307 6.274 4.182 144 H ILE 390 HN ILE 390 6.262 6.624 1.881 145 HA ILE 390 HA ILE 390 6.357 7.795 4.441 146 HB ILE 390 HB ILE 390 4.488 8.215 2.097 147 HG12 ILE 390 HG12 ILE 390 7.077 8.781 2.089 148 HG13 ILE 390 HG11 ILE 390 5.923 9.959 1.468 149 HG21 ILE 390 HG21 ILE 390 4.072 10.453 3.353 150 HG22 ILE 390 HG22 ILE 390 4.679 9.607 4.777 151 HG23 ILE 390 HG23 ILE 390 3.238 9.019 3.949 152 HD11 ILE 390 HD11 ILE 390 6.057 11.301 3.394 153 HD12 ILE 390 HD12 ILE 390 7.724 10.784 3.164 154 HD13 ILE 390 HD13 ILE 390 6.725 10.012 4.381 155 H LEU 391 HN LEU 391 3.937 5.788 2.831 156 HA LEU 391 HA LEU 391 1.961 5.940 4.821 157 HB2 LEU 391 HB2 LEU 391 2.631 3.937 2.684 158 HB3 LEU 391 HB1 LEU 391 1.340 3.587 3.834 159 HG LEU 391 HG LEU 391 1.346 6.284 2.476 160 HD11 LEU 391 HD11 LEU 391 1.670 4.777 0.606 161 HD12 LEU 391 HD12 LEU 391 -0.018 5.278 0.633 162 HD13 LEU 391 HD13 LEU 391 0.436 3.678 1.221 163 HD21 LEU 391 HD21 LEU 391 -1.076 6.008 2.746 164 HD22 LEU 391 HD22 LEU 391 -0.277 5.690 4.283 165 HD23 LEU 391 HD23 LEU 391 -0.848 4.349 3.294 166 H VAL 392 HN VAL 392 4.705 3.762 4.409 167 HA VAL 392 HA VAL 392 4.090 2.017 6.547 168 HB VAL 392 HB VAL 392 6.754 2.714 5.295 169 HG11 VAL 392 HG11 VAL 392 5.909 0.575 7.260 170 HG12 VAL 392 HG12 VAL 392 7.227 1.736 7.420 171 HG13 VAL 392 HG13 VAL 392 7.351 0.416 6.258 172 HG21 VAL 392 HG21 VAL 392 6.409 0.729 3.966 173 HG22 VAL 392 HG22 VAL 392 4.951 1.712 3.822 174 HG23 VAL 392 HG23 VAL 392 4.962 0.304 4.882 175 H LEU 393 HN LEU 393 5.995 4.983 6.352 176 HA LEU 393 HA LEU 393 7.057 4.907 8.962 177 HB2 LEU 393 HB2 LEU 393 6.565 7.043 6.923 178 HB3 LEU 393 HB1 LEU 393 6.971 7.564 8.557 179 HG LEU 393 HG LEU 393 8.675 5.426 7.259 180 HD11 LEU 393 HD11 LEU 393 10.140 7.332 6.448 181 HD12 LEU 393 HD12 LEU 393 8.749 8.390 6.682 182 HD13 LEU 393 HD13 LEU 393 8.661 7.062 5.527 183 HD21 LEU 393 HD21 LEU 393 10.327 6.263 8.757 184 HD22 LEU 393 HD22 LEU 393 8.835 6.218 9.692 185 HD23 LEU 393 HD23 LEU 393 9.423 7.747 9.045 186 H LEU 394 HN LEU 394 4.039 6.245 7.716 187 HA LEU 394 HA LEU 394 3.199 7.500 10.087 188 HB2 LEU 394 HB2 LEU 394 2.151 7.919 7.924 189 HB3 LEU 394 HB1 LEU 394 1.565 6.261 7.873 190 HG LEU 394 HG LEU 394 0.828 7.666 10.368 191 HD11 LEU 394 HD11 LEU 394 -0.139 8.676 7.693 192 HD12 LEU 394 HD12 LEU 394 0.603 9.607 8.996 193 HD13 LEU 394 HD13 LEU 394 -1.020 8.943 9.199 194 HD21 LEU 394 HD21 LEU 394 -1.308 6.597 9.945 195 HD22 LEU 394 HD22 LEU 394 -0.037 5.433 9.574 196 HD23 LEU 394 HD23 LEU 394 -0.860 6.281 8.270 197 H ALA 395 HN ALA 395 2.676 4.209 8.863 198 HA ALA 395 HA ALA 395 0.991 3.353 10.981 199 HB1 ALA 395 HB1 ALA 395 1.089 2.143 8.863 200 HB2 ALA 395 HB2 ALA 395 1.542 1.072 10.190 201 HB3 ALA 395 HB3 ALA 395 2.786 1.753 9.141 202 H TYR 396 HN TYR 396 4.482 3.386 10.519 203 HA TYR 396 HA TYR 396 5.231 1.731 12.656 204 HB2 TYR 396 HB2 TYR 396 6.839 2.438 10.974 205 HB3 TYR 396 HB1 TYR 396 6.658 4.121 11.466 206 HD1 TYR 396 HD1 TYR 396 7.809 0.768 12.590 207 HD2 TYR 396 HD2 TYR 396 7.811 4.993 13.370 208 HE1 TYR 396 HE1 TYR 396 9.545 0.446 14.331 209 HE2 TYR 396 HE2 TYR 396 9.547 4.670 15.111 210 HH TYR 396 HH TYR 396 10.886 3.224 16.123 211 H PHE 397 HN PHE 397 4.669 5.226 12.549 212 HA PHE 397 HA PHE 397 5.358 5.760 15.228 213 HB2 PHE 397 HB2 PHE 397 3.606 7.186 13.231 214 HB3 PHE 397 HB1 PHE 397 3.805 7.804 14.870 215 HD1 PHE 397 HD2 PHE 397 6.412 7.728 15.692 216 HD2 PHE 397 HD1 PHE 397 5.048 8.122 11.624 217 HE1 PHE 397 HE2 PHE 397 8.573 8.736 15.056 218 HE2 PHE 397 HE1 PHE 397 7.211 9.123 11.002 219 HZ PHE 397 HZ PHE 397 8.975 9.441 12.714 220 H ILE 398 HN ILE 398 2.245 5.037 13.717 221 HA ILE 398 HA ILE 398 0.689 5.261 16.065 222 HB ILE 398 HB ILE 398 0.226 3.716 13.502 223 HG12 ILE 398 HG12 ILE 398 -1.046 6.261 14.524 224 HG13 ILE 398 HG11 ILE 398 0.362 6.248 13.461 225 HG21 ILE 398 HG21 ILE 398 -1.128 2.626 15.125 226 HG22 ILE 398 HG22 ILE 398 -2.197 3.790 14.347 227 HG23 ILE 398 HG23 ILE 398 -1.516 4.144 15.934 228 HD11 ILE 398 HD11 ILE 398 -1.857 6.464 12.260 229 HD12 ILE 398 HD12 ILE 398 -2.229 4.828 12.803 230 HD13 ILE 398 HD13 ILE 398 -0.861 5.109 11.729 231 H GLY 399 HN GLY 399 2.340 2.507 14.548 232 HA2 GLY 399 HA2 GLY 399 1.356 0.503 16.262 233 HA3 GLY 399 HA1 GLY 399 2.843 0.412 15.323 234 H LEU 400 HN LEU 400 4.033 2.765 16.541 235 HA LEU 400 HA LEU 400 5.355 1.539 18.692 236 HB2 LEU 400 HB2 LEU 400 6.409 3.312 17.372 237 HB3 LEU 400 HB1 LEU 400 5.208 4.472 17.935 238 HG LEU 400 HG LEU 400 5.992 4.178 20.256 239 HD11 LEU 400 HD11 LEU 400 6.768 1.988 20.473 240 HD12 LEU 400 HD12 LEU 400 8.289 2.864 20.379 241 HD13 LEU 400 HD13 LEU 400 7.663 2.037 18.954 242 HD21 LEU 400 HD21 LEU 400 8.083 5.316 20.041 243 HD22 LEU 400 HD22 LEU 400 7.092 5.819 18.670 244 HD23 LEU 400 HD23 LEU 400 8.368 4.622 18.445 245 H LYS 401 HN LYS 401 2.737 3.909 18.568 246 HA LYS 401 HA LYS 401 1.348 4.747 20.194 247 HB2 LYS 401 HB2 LYS 401 0.657 2.367 20.192 248 HB3 LYS 401 HB1 LYS 401 1.848 2.041 21.451 249 HG2 LYS 401 HG2 LYS 401 0.730 3.619 22.958 250 HG3 LYS 401 HG1 LYS 401 -0.431 4.027 21.695 251 HD2 LYS 401 HD2 LYS 401 -1.208 1.681 21.658 252 HD3 LYS 401 HD1 LYS 401 -0.057 1.284 22.934 253 HE2 LYS 401 HE2 LYS 401 -1.157 2.894 24.440 254 HE3 LYS 401 HE1 LYS 401 -2.301 3.312 23.165 255 HZ1 LYS 401 HZ1 LYS 401 -2.127 0.893 24.791 256 HZ2 LYS 401 HZ2 LYS 401 -2.628 0.710 23.177 257 HZ3 LYS 401 HZ3 LYS 401 -3.494 1.724 24.229 258 H HIS 402 HN HIS 402 2.313 6.417 21.224 259 HA HIS 402 HA HIS 402 4.540 6.093 22.998 260 HB2 HIS 402 HB2 HIS 402 2.692 8.430 22.476 261 HB3 HIS 402 HB1 HIS 402 4.113 8.508 23.517 262 HD1 HIS 402 HD1 HIS 402 3.072 8.321 19.935 263 HD2 HIS 402 HD2 HIS 402 6.619 8.293 22.125 264 HE1 HIS 402 HE1 HIS 402 4.946 8.664 18.267 265 HE2 HIS 402 HE2 HIS 402 7.116 8.650 19.587 266 H HIS 403 HN HIS 403 4.597 5.999 25.187 267 HA HIS 403 HA HIS 403 2.020 5.556 26.566 268 HB2 HIS 403 HB2 HIS 403 4.869 4.860 27.310 269 HB3 HIS 403 HB1 HIS 403 3.477 4.596 28.361 270 HD1 HIS 403 HD1 HIS 403 5.019 3.411 25.135 271 HD2 HIS 403 HD2 HIS 403 1.792 2.450 27.594 272 HE1 HIS 403 HE1 HIS 403 4.115 1.199 24.298 273 HE2 HIS 403 HE2 HIS 403 2.148 0.599 25.788 274 H HIS 404 HN HIS 404 1.238 7.016 27.931 275 HA HIS 404 HA HIS 404 2.968 9.286 28.734 276 HB2 HIS 404 HB2 HIS 404 -0.044 9.005 28.615 277 HB3 HIS 404 HB1 HIS 404 0.809 10.424 29.225 278 HD1 HIS 404 HD1 HIS 404 0.098 8.529 26.055 279 HD2 HIS 404 HD2 HIS 404 2.045 12.024 27.228 280 HE1 HIS 404 HE1 HIS 404 0.606 9.813 23.932 281 HE2 HIS 404 HE2 HIS 404 1.794 11.947 24.631 282 H ALA 405 HN ALA 405 3.455 9.633 30.810 283 HA ALA 405 HA ALA 405 2.801 7.627 32.768 284 HB1 ALA 405 HB1 ALA 405 5.011 8.664 32.766 285 HB2 ALA 405 HB2 ALA 405 4.183 9.014 34.283 286 HB3 ALA 405 HB3 ALA 405 4.287 10.251 33.030 287 H GLY 406 HN GLY 406 1.832 10.951 32.099 288 HA2 GLY 406 HA2 GLY 406 0.417 11.433 34.500 289 HA3 GLY 406 HA1 GLY 406 0.162 12.273 32.974 290 H TYR 407 HN TYR 407 -0.569 10.059 31.383 291 HA TYR 407 HA TYR 407 -3.201 9.345 32.579 292 HB2 TYR 407 HB2 TYR 407 -2.426 9.821 29.695 293 HB3 TYR 407 HB1 TYR 407 -3.989 9.203 30.224 294 HD1 TYR 407 HD2 TYR 407 -5.371 10.605 31.855 295 HD2 TYR 407 HD1 TYR 407 -1.968 12.150 29.735 296 HE1 TYR 407 HE2 TYR 407 -6.146 12.920 32.293 297 HE2 TYR 407 HE1 TYR 407 -2.743 14.461 30.174 298 HH TYR 407 HH TYR 407 -5.877 15.152 31.372 299 H GLU 408 HN GLU 408 -3.824 7.264 32.610 300 HA GLU 408 HA GLU 408 -1.818 5.243 31.998 301 HB2 GLU 408 HB2 GLU 408 -3.150 5.152 34.092 302 HB3 GLU 408 HB1 GLU 408 -4.610 4.930 33.126 303 HG2 GLU 408 HG2 GLU 408 -3.705 2.859 32.178 304 HG3 GLU 408 HG1 GLU 408 -2.199 3.095 33.063 305 H GLN 409 HN GLN 409 -1.665 4.415 30.019 306 HA GLN 409 HA GLN 409 -4.174 3.843 28.509 307 HB2 GLN 409 HB2 GLN 409 -1.592 4.809 27.241 308 HB3 GLN 409 HB1 GLN 409 -3.168 4.605 26.474 309 HG2 GLN 409 HG2 GLN 409 -2.443 6.653 28.605 310 HG3 GLN 409 HG1 GLN 409 -2.822 6.973 26.916 311 HE21 GLN 409 HE21 GLN 409 -4.224 7.484 29.739 312 HE22 GLN 409 HE22 GLN 409 -5.844 7.114 29.392 313 H PHE 410 HN PHE 410 -4.172 2.002 27.283 314 HA PHE 410 HA PHE 410 -1.837 0.392 26.886 315 HB2 PHE 410 HB2 PHE 410 -2.144 -0.076 29.262 316 HB3 PHE 410 HB1 PHE 410 -3.832 -0.501 28.982 317 HD1 PHE 410 HD1 PHE 410 -0.330 -1.441 28.099 318 HD2 PHE 410 HD2 PHE 410 -4.439 -2.679 28.263 319 HE1 PHE 410 HE1 PHE 410 0.346 -3.762 27.546 320 HE2 PHE 410 HE2 PHE 410 -3.764 -4.999 27.711 321 HZ PHE 410 HZ PHE 410 -1.371 -5.542 27.353 Start of MODEL 20 1 H1 SER 369 HT1 SER 369 -0.029 11.218 -26.725 2 H2 SER 369 HT2 SER 369 -0.546 10.164 -25.496 3 H3 SER 369 HT3 SER 369 -0.925 9.832 -27.118 4 HA SER 369 HA SER 369 0.979 8.532 -26.041 5 HB2 SER 369 HB2 SER 369 1.435 10.010 -28.649 6 HB3 SER 369 HB1 SER 369 2.164 8.477 -28.177 7 HG SER 369 HG SER 369 -0.599 9.023 -28.559 8 H ALA 370 HN ALA 370 0.955 11.476 -25.124 9 HA ALA 370 HA ALA 370 3.553 12.544 -25.541 10 HB1 ALA 370 HB1 ALA 370 1.746 13.969 -24.764 11 HB2 ALA 370 HB2 ALA 370 3.037 13.964 -23.564 12 HB3 ALA 370 HB3 ALA 370 1.581 13.011 -23.290 13 H ASP 371 HN ASP 371 2.204 10.378 -23.105 14 HA ASP 371 HA ASP 371 4.721 10.293 -21.621 15 HB2 ASP 371 HB2 ASP 371 3.472 8.691 -20.169 16 HB3 ASP 371 HB1 ASP 371 2.689 10.264 -20.318 17 H ASP 372 HN ASP 372 3.614 8.912 -24.398 18 HA ASP 372 HA ASP 372 4.282 6.180 -24.094 19 HB2 ASP 372 HB2 ASP 372 2.951 7.049 -25.982 20 HB3 ASP 372 HB1 ASP 372 4.376 7.883 -26.592 21 H ASP 373 HN ASP 373 6.179 9.035 -24.918 22 HA ASP 373 HA ASP 373 8.544 7.599 -25.644 23 HB2 ASP 373 HB2 ASP 373 8.063 10.477 -24.856 24 HB3 ASP 373 HB1 ASP 373 9.635 9.856 -25.356 25 H ASN 374 HN ASN 374 10.365 7.159 -24.443 26 HA ASN 374 HA ASN 374 11.558 6.550 -22.576 27 HB2 ASN 374 HB2 ASN 374 10.291 9.111 -21.581 28 HB3 ASN 374 HB1 ASN 374 11.535 8.227 -20.704 29 HD21 ASN 374 HD21 ASN 374 11.935 10.910 -21.711 30 HD22 ASN 374 HD22 ASN 374 13.136 10.835 -22.908 31 H PHE 375 HN PHE 375 8.912 5.428 -22.924 32 HA PHE 375 HA PHE 375 7.412 5.375 -20.543 33 HB2 PHE 375 HB2 PHE 375 6.621 4.535 -22.754 34 HB3 PHE 375 HB1 PHE 375 7.702 3.155 -22.577 35 HD1 PHE 375 HD1 PHE 375 5.092 5.006 -20.601 36 HD2 PHE 375 HD2 PHE 375 6.815 1.206 -21.624 37 HE1 PHE 375 HE1 PHE 375 3.380 3.854 -19.225 38 HE2 PHE 375 HE2 PHE 375 5.110 0.059 -20.251 39 HZ PHE 375 HZ PHE 375 3.390 1.380 -19.050 40 H LEU 376 HN LEU 376 10.103 3.354 -21.668 41 HA LEU 376 HA LEU 376 10.048 1.544 -19.478 42 HB2 LEU 376 HB2 LEU 376 12.164 2.314 -21.492 43 HB3 LEU 376 HB1 LEU 376 12.498 1.155 -20.205 44 HG LEU 376 HG LEU 376 10.550 -0.201 -20.959 45 HD11 LEU 376 HD11 LEU 376 9.112 1.340 -22.019 46 HD12 LEU 376 HD12 LEU 376 9.762 0.407 -23.359 47 HD13 LEU 376 HD13 LEU 376 10.404 2.011 -23.012 48 HD21 LEU 376 HD21 LEU 376 12.676 -0.895 -21.794 49 HD22 LEU 376 HD22 LEU 376 12.741 0.445 -22.941 50 HD23 LEU 376 HD23 LEU 376 11.598 -0.876 -23.191 51 H VAL 377 HN VAL 377 11.013 1.588 -17.519 52 HA VAL 377 HA VAL 377 11.912 2.505 -15.612 53 HB VAL 377 HB VAL 377 13.807 3.940 -17.466 54 HG11 VAL 377 HG11 VAL 377 15.374 3.545 -15.593 55 HG12 VAL 377 HG12 VAL 377 14.089 2.741 -14.692 56 HG13 VAL 377 HG13 VAL 377 13.965 4.461 -15.061 57 HG21 VAL 377 HG21 VAL 377 13.726 1.666 -18.263 58 HG22 VAL 377 HG22 VAL 377 13.730 1.031 -16.616 59 HG23 VAL 377 HG23 VAL 377 15.173 1.811 -17.264 60 HA PRO 378 HA PRO 378 9.850 6.610 -16.577 61 HB2 PRO 378 HB2 PRO 378 7.507 6.187 -15.225 62 HB3 PRO 378 HB1 PRO 378 7.742 5.714 -16.919 63 HG2 PRO 378 HG2 PRO 378 7.852 4.033 -14.450 64 HG3 PRO 378 HG1 PRO 378 7.173 3.655 -16.046 65 HD2 PRO 378 HD2 PRO 378 9.639 2.766 -15.192 66 HD3 PRO 378 HD1 PRO 378 9.212 2.996 -16.901 67 H ILE 379 HN ILE 379 9.703 8.360 -15.146 68 HA ILE 379 HA ILE 379 11.186 8.180 -12.744 69 HB ILE 379 HB ILE 379 9.354 10.346 -13.794 70 HG12 ILE 379 HG12 ILE 379 12.380 10.197 -13.667 71 HG13 ILE 379 HG11 ILE 379 11.445 9.739 -15.090 72 HG21 ILE 379 HG21 ILE 379 9.495 10.685 -11.426 73 HG22 ILE 379 HG22 ILE 379 10.690 11.767 -12.132 74 HG23 ILE 379 HG23 ILE 379 11.202 10.250 -11.397 75 HD11 ILE 379 HD11 ILE 379 10.497 11.982 -15.241 76 HD12 ILE 379 HD12 ILE 379 12.257 12.095 -15.204 77 HD13 ILE 379 HD13 ILE 379 11.319 12.456 -13.755 78 H ALA 380 HN ALA 380 7.708 8.393 -13.389 79 HA ALA 380 HA ALA 380 6.644 8.755 -10.912 80 HB1 ALA 380 HB1 ALA 380 4.826 7.064 -11.694 81 HB2 ALA 380 HB2 ALA 380 5.754 6.997 -13.193 82 HB3 ALA 380 HB3 ALA 380 5.084 8.526 -12.644 83 H VAL 381 HN VAL 381 8.589 6.096 -11.935 84 HA VAL 381 HA VAL 381 7.693 4.063 -10.232 85 HB VAL 381 HB VAL 381 9.380 3.838 -12.088 86 HG11 VAL 381 HG11 VAL 381 10.691 5.891 -11.207 87 HG12 VAL 381 HG12 VAL 381 11.629 4.513 -11.777 88 HG13 VAL 381 HG13 VAL 381 11.402 4.773 -10.048 89 HG21 VAL 381 HG21 VAL 381 9.067 2.024 -10.484 90 HG22 VAL 381 HG22 VAL 381 10.138 2.819 -9.331 91 HG23 VAL 381 HG23 VAL 381 10.785 2.184 -10.842 92 H GLY 382 HN GLY 382 10.065 6.657 -9.703 93 HA2 GLY 382 HA2 GLY 382 10.832 5.864 -7.092 94 HA3 GLY 382 HA1 GLY 382 11.047 7.468 -7.786 95 H ALA 383 HN ALA 383 8.285 7.984 -8.322 96 HA ALA 383 HA ALA 383 7.487 9.091 -5.848 97 HB1 ALA 383 HB1 ALA 383 6.788 10.023 -8.014 98 HB2 ALA 383 HB2 ALA 383 5.390 9.648 -7.005 99 HB3 ALA 383 HB3 ALA 383 5.834 8.574 -8.331 100 H ALA 384 HN ALA 384 6.527 6.153 -7.568 101 HA ALA 384 HA ALA 384 4.379 5.410 -5.901 102 HB1 ALA 384 HB1 ALA 384 5.000 4.399 -8.144 103 HB2 ALA 384 HB2 ALA 384 4.568 3.239 -6.888 104 HB3 ALA 384 HB3 ALA 384 6.261 3.502 -7.301 105 H LEU 385 HN LEU 385 7.825 4.568 -5.786 106 HA LEU 385 HA LEU 385 7.601 2.950 -3.449 107 HB2 LEU 385 HB2 LEU 385 9.832 4.151 -5.027 108 HB3 LEU 385 HB1 LEU 385 10.217 3.615 -3.393 109 HG LEU 385 HG LEU 385 8.679 1.741 -5.214 110 HD11 LEU 385 HD11 LEU 385 11.640 2.330 -5.287 111 HD12 LEU 385 HD12 LEU 385 10.502 2.324 -6.635 112 HD13 LEU 385 HD13 LEU 385 10.950 0.808 -5.850 113 HD21 LEU 385 HD21 LEU 385 9.614 0.080 -3.799 114 HD22 LEU 385 HD22 LEU 385 9.137 1.382 -2.714 115 HD23 LEU 385 HD23 LEU 385 10.827 1.189 -3.166 116 H ALA 386 HN ALA 386 8.360 6.341 -3.980 117 HA ALA 386 HA ALA 386 9.102 6.952 -1.328 118 HB1 ALA 386 HB1 ALA 386 8.885 9.246 -1.956 119 HB2 ALA 386 HB2 ALA 386 7.786 8.845 -3.274 120 HB3 ALA 386 HB3 ALA 386 9.485 8.386 -3.374 121 H GLY 387 HN GLY 387 5.989 6.907 -2.983 122 HA2 GLY 387 HA2 GLY 387 4.452 8.133 -0.953 123 HA3 GLY 387 HA1 GLY 387 3.832 7.086 -2.212 124 H VAL 388 HN VAL 388 5.212 4.742 -1.625 125 HA VAL 388 HA VAL 388 3.609 3.675 0.465 126 HB VAL 388 HB VAL 388 5.991 2.475 -0.959 127 HG11 VAL 388 HG11 VAL 388 3.896 1.343 0.906 128 HG12 VAL 388 HG12 VAL 388 5.652 1.211 1.029 129 HG13 VAL 388 HG13 VAL 388 4.788 0.322 -0.225 130 HG21 VAL 388 HG21 VAL 388 3.033 2.012 -1.435 131 HG22 VAL 388 HG22 VAL 388 4.382 1.460 -2.429 132 HG23 VAL 388 HG23 VAL 388 3.982 3.176 -2.359 133 H LEU 389 HN LEU 389 7.026 4.539 0.204 134 HA LEU 389 HA LEU 389 7.903 3.515 2.640 135 HB2 LEU 389 HB2 LEU 389 9.392 4.368 0.865 136 HB3 LEU 389 HB1 LEU 389 8.879 6.006 1.218 137 HG LEU 389 HG LEU 389 9.779 4.518 3.635 138 HD11 LEU 389 HD11 LEU 389 12.199 4.839 3.020 139 HD12 LEU 389 HD12 LEU 389 11.680 5.105 1.356 140 HD13 LEU 389 HD13 LEU 389 11.385 3.550 2.134 141 HD21 LEU 389 HD21 LEU 389 10.729 6.620 4.190 142 HD22 LEU 389 HD22 LEU 389 9.241 7.024 3.344 143 HD23 LEU 389 HD23 LEU 389 10.785 7.135 2.506 144 H ILE 390 HN ILE 390 6.381 6.605 1.873 145 HA ILE 390 HA ILE 390 6.678 7.723 4.478 146 HB ILE 390 HB ILE 390 4.849 8.381 2.176 147 HG12 ILE 390 HG12 ILE 390 7.271 9.859 3.283 148 HG13 ILE 390 HG11 ILE 390 7.353 8.734 1.925 149 HG21 ILE 390 HG21 ILE 390 4.610 10.589 3.488 150 HG22 ILE 390 HG22 ILE 390 5.231 9.698 4.874 151 HG23 ILE 390 HG23 ILE 390 3.722 9.201 4.109 152 HD11 ILE 390 HD11 ILE 390 5.401 11.045 1.896 153 HD12 ILE 390 HD12 ILE 390 6.067 10.139 0.540 154 HD13 ILE 390 HD13 ILE 390 7.078 11.267 1.416 155 H LEU 391 HN LEU 391 4.097 5.942 2.836 156 HA LEU 391 HA LEU 391 2.152 6.255 4.817 157 HB2 LEU 391 HB2 LEU 391 2.618 4.186 2.693 158 HB3 LEU 391 HB1 LEU 391 1.290 3.995 3.834 159 HG LEU 391 HG LEU 391 1.620 6.652 2.435 160 HD11 LEU 391 HD11 LEU 391 1.747 5.093 0.593 161 HD12 LEU 391 HD12 LEU 391 0.128 5.787 0.619 162 HD13 LEU 391 HD13 LEU 391 0.399 4.155 1.232 163 HD21 LEU 391 HD21 LEU 391 -0.769 5.011 3.349 164 HD22 LEU 391 HD22 LEU 391 -0.841 6.641 2.683 165 HD23 LEU 391 HD23 LEU 391 -0.064 6.360 4.234 166 H VAL 392 HN VAL 392 4.712 3.883 4.419 167 HA VAL 392 HA VAL 392 3.954 2.165 6.528 168 HB VAL 392 HB VAL 392 6.679 2.724 5.333 169 HG11 VAL 392 HG11 VAL 392 7.061 1.743 7.481 170 HG12 VAL 392 HG12 VAL 392 7.165 0.415 6.324 171 HG13 VAL 392 HG13 VAL 392 5.705 0.629 7.290 172 HG21 VAL 392 HG21 VAL 392 4.887 0.322 4.913 173 HG22 VAL 392 HG22 VAL 392 6.263 0.843 3.941 174 HG23 VAL 392 HG23 VAL 392 4.758 1.756 3.900 175 H LEU 393 HN LEU 393 5.971 5.050 6.390 176 HA LEU 393 HA LEU 393 6.998 4.930 9.012 177 HB2 LEU 393 HB2 LEU 393 6.534 7.108 7.009 178 HB3 LEU 393 HB1 LEU 393 6.930 7.596 8.652 179 HG LEU 393 HG LEU 393 8.635 5.479 7.322 180 HD11 LEU 393 HD11 LEU 393 10.114 7.425 6.588 181 HD12 LEU 393 HD12 LEU 393 8.696 8.454 6.802 182 HD13 LEU 393 HD13 LEU 393 8.666 7.142 5.623 183 HD21 LEU 393 HD21 LEU 393 10.286 6.296 8.845 184 HD22 LEU 393 HD22 LEU 393 8.792 6.194 9.773 185 HD23 LEU 393 HD23 LEU 393 9.356 7.753 9.181 186 H LEU 394 HN LEU 394 4.010 6.276 7.742 187 HA LEU 394 HA LEU 394 3.125 7.532 10.094 188 HB2 LEU 394 HB2 LEU 394 2.113 7.919 7.897 189 HB3 LEU 394 HB1 LEU 394 1.524 6.260 7.867 190 HG LEU 394 HG LEU 394 0.759 7.716 10.331 191 HD11 LEU 394 HD11 LEU 394 -1.078 8.961 9.097 192 HD12 LEU 394 HD12 LEU 394 -0.161 8.675 7.618 193 HD13 LEU 394 HD13 LEU 394 0.544 9.630 8.923 194 HD21 LEU 394 HD21 LEU 394 -0.855 6.245 8.223 195 HD22 LEU 394 HD22 LEU 394 -1.395 6.662 9.849 196 HD23 LEU 394 HD23 LEU 394 -0.112 5.478 9.624 197 H ALA 395 HN ALA 395 2.656 4.239 8.859 198 HA ALA 395 HA ALA 395 0.944 3.356 10.945 199 HB1 ALA 395 HB1 ALA 395 1.307 1.155 10.091 200 HB2 ALA 395 HB2 ALA 395 2.830 1.629 9.335 201 HB3 ALA 395 HB3 ALA 395 1.301 2.237 8.698 202 H TYR 396 HN TYR 396 4.455 3.339 10.523 203 HA TYR 396 HA TYR 396 5.127 1.733 12.732 204 HB2 TYR 396 HB2 TYR 396 6.773 2.306 11.038 205 HB3 TYR 396 HB1 TYR 396 6.650 4.015 11.454 206 HD1 TYR 396 HD1 TYR 396 7.754 0.686 12.657 207 HD2 TYR 396 HD2 TYR 396 7.734 4.915 13.405 208 HE1 TYR 396 HE1 TYR 396 9.466 0.381 14.425 209 HE2 TYR 396 HE2 TYR 396 9.447 4.611 15.172 210 HH TYR 396 HH TYR 396 10.744 3.174 16.244 211 H PHE 397 HN PHE 397 4.627 5.223 12.463 212 HA PHE 397 HA PHE 397 5.344 5.881 15.106 213 HB2 PHE 397 HB2 PHE 397 3.637 7.208 13.011 214 HB3 PHE 397 HB1 PHE 397 3.721 7.899 14.631 215 HD1 PHE 397 HD2 PHE 397 6.267 7.921 15.615 216 HD2 PHE 397 HD1 PHE 397 5.160 8.104 11.458 217 HE1 PHE 397 HE2 PHE 397 8.441 8.961 15.076 218 HE2 PHE 397 HE1 PHE 397 7.333 9.140 10.930 219 HZ PHE 397 HZ PHE 397 8.976 9.577 12.736 220 H ILE 398 HN ILE 398 2.208 5.087 13.673 221 HA ILE 398 HA ILE 398 0.677 5.459 16.016 222 HB ILE 398 HB ILE 398 0.203 3.739 13.569 223 HG12 ILE 398 HG12 ILE 398 -1.083 6.331 14.447 224 HG13 ILE 398 HG11 ILE 398 0.296 6.256 13.349 225 HG21 ILE 398 HG21 ILE 398 -2.213 3.829 14.441 226 HG22 ILE 398 HG22 ILE 398 -1.516 4.290 15.992 227 HG23 ILE 398 HG23 ILE 398 -1.114 2.732 15.272 228 HD11 ILE 398 HD11 ILE 398 -1.883 6.379 12.137 229 HD12 ILE 398 HD12 ILE 398 -2.351 4.852 12.885 230 HD13 ILE 398 HD13 ILE 398 -0.986 4.906 11.768 231 H GLY 399 HN GLY 399 2.322 2.606 14.679 232 HA2 GLY 399 HA2 GLY 399 1.371 0.748 16.582 233 HA3 GLY 399 HA1 GLY 399 2.814 0.564 15.588 234 H LEU 400 HN LEU 400 4.214 2.856 16.487 235 HA LEU 400 HA LEU 400 5.485 1.800 18.742 236 HB2 LEU 400 HB2 LEU 400 6.211 3.644 16.901 237 HB3 LEU 400 HB1 LEU 400 5.713 4.752 18.169 238 HG LEU 400 HG LEU 400 8.079 4.303 18.456 239 HD11 LEU 400 HD11 LEU 400 8.064 3.708 20.737 240 HD12 LEU 400 HD12 LEU 400 6.754 2.562 20.537 241 HD13 LEU 400 HD13 LEU 400 6.432 4.299 20.481 242 HD21 LEU 400 HD21 LEU 400 7.775 1.396 19.041 243 HD22 LEU 400 HD22 LEU 400 9.041 2.241 18.166 244 HD23 LEU 400 HD23 LEU 400 7.551 1.816 17.345 245 H LYS 401 HN LYS 401 3.112 4.386 18.395 246 HA LYS 401 HA LYS 401 3.132 5.225 21.101 247 HB2 LYS 401 HB2 LYS 401 2.156 6.489 19.142 248 HB3 LYS 401 HB1 LYS 401 0.792 5.371 19.194 249 HG2 LYS 401 HG2 LYS 401 0.288 6.025 21.490 250 HG3 LYS 401 HG1 LYS 401 1.709 7.070 21.531 251 HD2 LYS 401 HD2 LYS 401 0.757 8.423 19.688 252 HD3 LYS 401 HD1 LYS 401 -0.676 7.395 19.686 253 HE2 LYS 401 HE2 LYS 401 -1.143 8.030 22.022 254 HE3 LYS 401 HE1 LYS 401 0.295 9.044 22.039 255 HZ1 LYS 401 HZ1 LYS 401 -1.097 10.636 21.370 256 HZ2 LYS 401 HZ2 LYS 401 -2.292 9.538 20.870 257 HZ3 LYS 401 HZ3 LYS 401 -0.991 9.908 19.842 258 H HIS 402 HN HIS 402 2.011 4.539 22.864 259 HA HIS 402 HA HIS 402 1.189 1.875 23.069 260 HB2 HIS 402 HB2 HIS 402 1.830 3.270 25.004 261 HB3 HIS 402 HB1 HIS 402 0.357 4.218 24.803 262 HD1 HIS 402 HD1 HIS 402 1.353 0.573 25.340 263 HD2 HIS 402 HD2 HIS 402 -1.804 3.166 26.171 264 HE1 HIS 402 HE1 HIS 402 -0.297 -0.735 26.748 265 HE2 HIS 402 HE2 HIS 402 -2.227 0.833 27.263 266 H HIS 403 HN HIS 403 -0.749 4.831 22.647 267 HA HIS 403 HA HIS 403 -3.242 3.389 22.582 268 HB2 HIS 403 HB2 HIS 403 -2.582 6.229 21.784 269 HB3 HIS 403 HB1 HIS 403 -4.206 5.571 21.946 270 HD1 HIS 403 HD1 HIS 403 -4.852 4.681 24.411 271 HD2 HIS 403 HD2 HIS 403 -1.451 7.082 24.185 272 HE1 HIS 403 HE1 HIS 403 -4.357 5.447 26.774 273 HE2 HIS 403 HE2 HIS 403 -2.286 6.912 26.654 274 H HIS 404 HN HIS 404 -4.338 2.636 20.850 275 HA HIS 404 HA HIS 404 -3.052 2.940 18.185 276 HB2 HIS 404 HB2 HIS 404 -4.839 0.757 19.281 277 HB3 HIS 404 HB1 HIS 404 -4.257 0.848 17.618 278 HD1 HIS 404 HD1 HIS 404 -3.116 0.168 21.125 279 HD2 HIS 404 HD2 HIS 404 -1.476 0.283 17.294 280 HE1 HIS 404 HE1 HIS 404 -0.814 -0.872 21.301 281 HE2 HIS 404 HE2 HIS 404 0.199 -0.808 18.973 282 H ALA 405 HN ALA 405 -4.240 3.583 16.449 283 HA ALA 405 HA ALA 405 -6.660 5.055 16.994 284 HB1 ALA 405 HB1 ALA 405 -5.047 5.942 15.400 285 HB2 ALA 405 HB2 ALA 405 -6.565 5.596 14.572 286 HB3 ALA 405 HB3 ALA 405 -5.198 4.495 14.404 287 H GLY 406 HN GLY 406 -5.952 1.849 16.193 288 HA2 GLY 406 HA2 GLY 406 -8.108 1.181 14.491 289 HA3 GLY 406 HA1 GLY 406 -7.237 0.059 15.532 290 H TYR 407 HN TYR 407 -7.810 1.323 18.015 291 HA TYR 407 HA TYR 407 -10.444 0.252 18.484 292 HB2 TYR 407 HB2 TYR 407 -8.667 -0.047 20.141 293 HB3 TYR 407 HB1 TYR 407 -8.538 1.701 20.335 294 HD1 TYR 407 HD1 TYR 407 -10.948 -1.144 20.615 295 HD2 TYR 407 HD2 TYR 407 -9.945 2.848 21.846 296 HE1 TYR 407 HE1 TYR 407 -12.785 -1.195 22.281 297 HE2 TYR 407 HE2 TYR 407 -11.782 2.796 23.511 298 HH TYR 407 HH TYR 407 -13.762 -0.129 23.970 299 H GLU 408 HN GLU 408 -12.320 1.315 18.806 300 HA GLU 408 HA GLU 408 -12.268 4.276 18.946 301 HB2 GLU 408 HB2 GLU 408 -13.822 2.563 17.002 302 HB3 GLU 408 HB1 GLU 408 -14.296 4.217 17.391 303 HG2 GLU 408 HG2 GLU 408 -11.542 3.447 16.368 304 HG3 GLU 408 HG1 GLU 408 -12.844 4.037 15.343 305 H GLN 409 HN GLN 409 -13.953 5.213 20.050 306 HA GLN 409 HA GLN 409 -15.150 3.591 22.084 307 HB2 GLN 409 HB2 GLN 409 -16.043 5.634 22.945 308 HB3 GLN 409 HB1 GLN 409 -14.436 6.016 22.329 309 HG2 GLN 409 HG2 GLN 409 -17.090 6.551 20.955 310 HG3 GLN 409 HG1 GLN 409 -15.954 7.740 21.563 311 HE21 GLN 409 HE21 GLN 409 -16.940 6.361 18.716 312 HE22 GLN 409 HE22 GLN 409 -15.507 6.510 17.818 313 H PHE 410 HN PHE 410 -17.191 2.808 22.240 314 HA PHE 410 HA PHE 410 -19.370 3.721 20.633 315 HB2 PHE 410 HB2 PHE 410 -18.209 2.495 18.877 316 HB3 PHE 410 HB1 PHE 410 -18.108 1.067 19.907 317 HD1 PHE 410 HD1 PHE 410 -20.521 3.394 18.263 318 HD2 PHE 410 HD2 PHE 410 -19.908 -0.472 20.033 319 HE1 PHE 410 HE1 PHE 410 -22.772 2.687 17.501 320 HE2 PHE 410 HE2 PHE 410 -22.158 -1.178 19.271 321 HZ PHE 410 HZ PHE 410 -23.591 0.401 18.005
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