REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2ply_1_B DATA FIRST_RESID 436 DATA SEQUENCE STERYQAWWQ AVTRALEEFH SRYPLRPGLA REELRSRYFS RLPARVYQAL DATA SEQUENCE LEEWSREGRL QLAANTVALA GFTPSFSETQ KKLLKDLEDK YRVSRWQPPW DATA SEQUENCE VKEVAGSFNL DPSELEELLH YLVREGVLVK INDEFYWHRQ ALGEAREVIK DATA SEQUENCE NLASTGPFGL AEARDALGSS RKYVLPLLEY LDQVKFTRRV GDKRVVVG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 436 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 436 S C 0.000 174.555 174.600 -0.074 0.000 1.055 436 S CA 0.000 58.138 58.200 -0.103 0.000 1.107 436 S CB 0.000 63.152 63.200 -0.080 0.000 0.593 437 T N 2.221 116.750 114.554 -0.042 0.000 2.545 437 T HA 0.095 4.444 4.350 -0.002 0.000 0.261 437 T C 2.353 177.084 174.700 0.052 0.000 1.097 437 T CA 3.120 65.228 62.100 0.013 0.000 1.189 437 T CB -0.999 67.875 68.868 0.009 0.000 0.863 437 T HN 0.890 9.130 8.240 -0.000 0.000 0.405 438 E N 2.472 122.677 120.200 0.008 0.000 2.021 438 E HA -0.256 4.093 4.350 -0.002 0.000 0.200 438 E C 2.219 178.795 176.600 -0.040 0.000 1.015 438 E CA 1.547 57.949 56.400 0.003 0.000 0.824 438 E CB -0.861 28.829 29.700 -0.016 0.000 0.762 438 E HN 0.297 8.657 8.360 -0.000 0.000 0.454 439 R N -1.085 119.325 120.500 -0.150 0.000 2.154 439 R HA -0.147 4.191 4.340 -0.002 0.000 0.248 439 R C 2.213 178.207 176.300 -0.509 0.000 1.155 439 R CA 1.723 57.584 56.100 -0.398 0.000 0.979 439 R CB -0.836 29.143 30.300 -0.534 0.000 0.869 439 R HN 0.722 8.992 8.270 -0.000 0.000 0.452 440 Y N 1.498 121.614 120.300 -0.306 0.000 2.176 440 Y HA -0.130 4.419 4.550 -0.002 0.000 0.291 440 Y C 2.426 178.492 175.900 0.278 0.000 1.122 440 Y CA 1.423 59.542 58.100 0.031 0.000 1.128 440 Y CB -0.185 38.317 38.460 0.069 0.000 1.005 440 Y HN 0.035 8.315 8.280 -0.000 0.000 0.509 441 Q N -0.293 119.651 119.800 0.240 0.000 2.181 441 Q HA -0.190 4.149 4.340 -0.002 0.000 0.205 441 Q C 2.349 178.465 176.000 0.193 0.000 0.980 441 Q CA 1.329 57.252 55.803 0.200 0.000 0.862 441 Q CB -0.290 28.550 28.738 0.172 0.000 0.905 441 Q HN 0.621 8.891 8.270 -0.000 0.000 0.429 442 A N -0.356 122.544 122.820 0.134 0.000 2.014 442 A HA -0.141 4.178 4.320 -0.002 0.000 0.218 442 A C 1.383 179.113 177.584 0.243 0.000 1.163 442 A CA 0.608 52.718 52.037 0.121 0.000 0.652 442 A CB -0.517 18.513 19.000 0.049 0.000 0.808 442 A HN 0.430 8.580 8.150 -0.000 0.000 0.449 443 W N -0.859 120.545 121.300 0.174 0.000 2.418 443 W HA -0.029 4.628 4.660 -0.004 0.000 0.292 443 W C 2.238 178.892 176.519 0.226 0.000 1.213 443 W CA -0.151 57.338 57.345 0.240 0.000 1.283 443 W CB -0.989 28.761 29.460 0.484 0.000 1.119 443 W HN 0.667 8.847 8.180 -0.000 0.000 0.542 444 W N 1.010 122.421 121.300 0.184 0.000 2.436 444 W HA -0.157 4.503 4.660 -0.001 0.000 0.284 444 W C 1.350 177.750 176.519 -0.199 0.000 1.225 444 W CA 0.951 58.187 57.345 -0.182 0.000 1.271 444 W CB -0.067 29.224 29.460 -0.281 0.000 1.114 444 W HN -0.139 8.041 8.180 -0.000 0.000 0.559 445 Q N 0.319 120.002 119.800 -0.196 0.000 2.389 445 Q HA -0.021 4.318 4.340 -0.002 0.000 0.204 445 Q C 2.325 178.139 176.000 -0.310 0.000 0.944 445 Q CA 1.201 56.819 55.803 -0.307 0.000 0.908 445 Q CB -0.447 28.224 28.738 -0.112 0.000 1.002 445 Q HN 0.364 8.634 8.270 -0.000 0.000 0.493 446 A N 0.400 123.073 122.820 -0.245 0.000 1.898 446 A HA -0.093 4.226 4.320 -0.002 0.000 0.216 446 A C 2.390 179.620 177.584 -0.589 0.000 1.181 446 A CA 1.172 52.969 52.037 -0.400 0.000 0.620 446 A CB -0.588 18.201 19.000 -0.352 0.000 0.819 446 A HN 0.168 8.318 8.150 -0.000 0.000 0.442 447 V N 0.723 120.348 119.914 -0.481 0.000 2.233 447 V HA -0.295 3.824 4.120 -0.002 0.000 0.247 447 V C 3.126 178.855 176.094 -0.607 0.000 1.050 447 V CA 2.750 64.743 62.300 -0.512 0.000 1.010 447 V CB -1.525 29.974 31.823 -0.540 0.000 0.637 447 V HN 0.853 9.043 8.190 -0.000 0.000 0.444 448 T N -0.618 113.448 114.554 -0.814 0.000 2.684 448 T HA -0.341 4.008 4.350 -0.002 0.000 0.267 448 T C 1.957 176.428 174.700 -0.380 0.000 1.036 448 T CA 1.944 63.660 62.100 -0.641 0.000 1.148 448 T CB -0.547 67.901 68.868 -0.701 0.000 0.863 448 T HN 0.427 8.667 8.240 -0.000 0.000 0.436 449 R N 1.404 121.694 120.500 -0.351 0.000 2.113 449 R HA -0.134 4.205 4.340 -0.002 0.000 0.244 449 R C 2.698 178.874 176.300 -0.207 0.000 1.142 449 R CA 1.903 57.858 56.100 -0.242 0.000 0.953 449 R CB -0.900 29.255 30.300 -0.241 0.000 0.860 449 R HN 0.560 8.830 8.270 -0.000 0.000 0.438 450 A N 0.593 123.247 122.820 -0.277 0.000 1.872 450 A HA -0.051 4.268 4.320 -0.002 0.000 0.214 450 A C 2.222 179.726 177.584 -0.133 0.000 1.187 450 A CA 1.048 52.986 52.037 -0.165 0.000 0.614 450 A CB -0.405 18.464 19.000 -0.219 0.000 0.826 450 A HN 0.346 8.496 8.150 -0.000 0.000 0.442 451 L N -0.765 120.317 121.223 -0.236 0.000 2.141 451 L HA -0.150 4.189 4.340 -0.002 0.000 0.209 451 L C 2.511 179.211 176.870 -0.283 0.000 1.094 451 L CA 1.335 55.973 54.840 -0.336 0.000 0.763 451 L CB -0.538 41.314 42.059 -0.345 0.000 0.908 451 L HN 0.454 8.684 8.230 -0.000 0.000 0.437 452 E N -0.115 120.012 120.200 -0.122 0.000 2.106 452 E HA -0.203 4.146 4.350 -0.002 0.000 0.192 452 E C 2.091 178.679 176.600 -0.020 0.000 0.984 452 E CA 0.657 57.048 56.400 -0.015 0.000 0.806 452 E CB 0.067 29.748 29.700 -0.033 0.000 0.750 452 E HN 0.415 8.775 8.360 -0.000 0.000 0.458 453 E N 0.014 120.189 120.200 -0.041 0.000 2.085 453 E HA -0.203 4.146 4.350 -0.002 0.000 0.194 453 E C 1.832 178.424 176.600 -0.013 0.000 0.994 453 E CA 1.029 57.415 56.400 -0.024 0.000 0.801 453 E CB -0.086 29.616 29.700 0.003 0.000 0.743 453 E HN 0.204 8.564 8.360 -0.000 0.000 0.453 454 F N 0.404 120.275 119.950 -0.131 0.000 2.149 454 F HA -0.092 4.434 4.527 -0.003 0.000 0.294 454 F C 2.101 177.872 175.800 -0.048 0.000 1.095 454 F CA 1.546 59.512 58.000 -0.056 0.000 1.276 454 F CB -0.219 38.687 39.000 -0.158 0.000 1.023 454 F HN 0.056 8.356 8.300 -0.000 0.000 0.480 455 H N -0.693 118.407 119.070 0.051 0.000 2.387 455 H HA -0.164 4.392 4.556 -0.001 0.000 0.299 455 H C 2.498 177.783 175.328 -0.073 0.000 1.099 455 H CA 1.582 57.551 56.048 -0.131 0.000 1.315 455 H CB -0.166 29.465 29.762 -0.217 0.000 1.380 455 H HN 0.359 8.639 8.280 -0.000 0.000 0.513 456 S N 0.434 116.149 115.700 0.024 0.000 2.395 456 S HA -0.086 4.383 4.470 -0.002 0.000 0.225 456 S C 2.056 176.562 174.600 -0.156 0.000 1.027 456 S CA 0.391 58.575 58.200 -0.026 0.000 0.965 456 S CB 0.039 63.223 63.200 -0.027 0.000 0.812 456 S HN 0.295 8.605 8.310 -0.000 0.000 0.482 457 R N 0.208 120.520 120.500 -0.315 0.000 2.115 457 R HA 0.032 4.371 4.340 -0.002 0.000 0.230 457 R C -0.082 175.747 176.300 -0.785 0.000 1.111 457 R CA 0.973 56.705 56.100 -0.613 0.000 0.976 457 R CB -0.059 29.701 30.300 -0.901 0.000 0.870 457 R HN 0.583 8.853 8.270 -0.000 0.000 0.445 458 Y N 0.130 120.206 120.300 -0.375 0.000 2.525 458 Y HA 0.282 4.830 4.550 -0.003 0.000 0.365 458 Y C -1.684 174.153 175.900 -0.106 0.000 0.929 458 Y CA -1.858 56.014 58.100 -0.379 0.000 1.196 458 Y CB 1.440 39.357 38.460 -0.904 0.000 1.232 458 Y HN 0.117 8.397 8.280 -0.000 0.000 0.613 459 P HA -0.107 4.313 4.420 -0.000 0.000 0.231 459 P C 0.472 177.851 177.300 0.132 0.000 1.158 459 P CA 1.223 64.444 63.100 0.202 0.000 0.763 459 P CB 0.429 32.157 31.700 0.046 0.000 0.805 460 L N -1.174 120.092 121.223 0.072 0.000 3.066 460 L HA 0.289 4.628 4.340 -0.002 0.000 0.265 460 L C 0.922 177.987 176.870 0.324 0.000 1.232 460 L CA -0.273 54.531 54.840 -0.060 0.000 1.031 460 L CB 0.113 42.031 42.059 -0.236 0.000 1.379 460 L HN -0.190 8.040 8.230 -0.000 0.000 0.563 461 R N 0.600 121.352 120.500 0.420 0.000 2.732 461 R HA 0.348 4.687 4.340 -0.002 0.000 0.278 461 R C -1.643 174.957 176.300 0.499 0.000 0.976 461 R CA -1.753 54.575 56.100 0.381 0.000 0.963 461 R CB 1.386 31.832 30.300 0.243 0.000 1.150 461 R HN -0.251 8.019 8.270 -0.000 0.000 0.478 462 P HA -0.054 4.366 4.420 -0.000 0.000 0.221 462 P C 0.313 177.769 177.300 0.259 0.000 1.150 462 P CA 1.034 64.197 63.100 0.104 0.000 0.800 462 P CB 0.504 31.990 31.700 -0.357 0.000 0.787 463 G N -1.298 107.580 108.800 0.131 0.000 2.341 463 G HA2 0.174 4.133 3.960 -0.002 0.000 0.293 463 G HA3 0.174 4.133 3.960 -0.002 0.000 0.293 463 G C -1.985 172.442 174.900 -0.788 0.000 1.298 463 G CA -0.872 44.155 45.100 -0.122 0.000 0.868 463 G HN 0.163 8.453 8.290 -0.000 0.000 0.540 464 L N 0.980 121.547 121.223 -1.095 0.000 2.426 464 L HA 0.567 4.906 4.340 -0.002 0.000 0.271 464 L C 1.350 177.933 176.870 -0.479 0.000 1.169 464 L CA -0.374 53.801 54.840 -1.108 0.000 0.836 464 L CB 1.026 42.651 42.059 -0.723 0.000 1.112 464 L HN 1.000 9.230 8.230 -0.000 0.000 0.465 465 A N 4.550 127.162 122.820 -0.346 0.000 2.524 465 A HA 0.104 4.422 4.320 -0.002 0.000 0.250 465 A C 1.188 178.727 177.584 -0.075 0.000 1.078 465 A CA -0.041 51.901 52.037 -0.158 0.000 0.761 465 A CB 0.175 19.111 19.000 -0.106 0.000 1.012 465 A HN 0.975 9.124 8.150 -0.000 0.000 0.500 466 R N 1.143 121.636 120.500 -0.011 0.000 2.113 466 R HA -0.180 4.159 4.340 -0.002 0.000 0.244 466 R C 1.514 177.880 176.300 0.110 0.000 1.142 466 R CA 2.008 58.171 56.100 0.105 0.000 0.953 466 R CB -0.136 30.238 30.300 0.125 0.000 0.860 466 R HN 0.809 9.079 8.270 -0.000 0.000 0.438 467 E N 0.459 120.672 120.200 0.022 0.000 2.072 467 E HA -0.168 4.181 4.350 -0.002 0.000 0.191 467 E C 1.900 178.459 176.600 -0.068 0.000 0.985 467 E CA 0.766 57.138 56.400 -0.047 0.000 0.801 467 E CB -0.176 29.501 29.700 -0.039 0.000 0.750 467 E HN 0.333 8.693 8.360 -0.000 0.000 0.452 468 E N 0.646 120.817 120.200 -0.048 0.000 2.085 468 E HA -0.167 4.182 4.350 -0.002 0.000 0.194 468 E C 2.169 178.755 176.600 -0.024 0.000 0.994 468 E CA 0.484 56.853 56.400 -0.052 0.000 0.801 468 E CB -0.132 29.534 29.700 -0.058 0.000 0.743 468 E HN 0.118 8.478 8.360 -0.000 0.000 0.453 469 L N 1.352 122.593 121.223 0.031 0.000 1.976 469 L HA -0.178 4.161 4.340 -0.002 0.000 0.209 469 L C 2.642 179.621 176.870 0.181 0.000 1.071 469 L CA 1.949 56.894 54.840 0.175 0.000 0.746 469 L CB -0.579 41.620 42.059 0.233 0.000 0.890 469 L HN -0.033 8.197 8.230 -0.000 0.000 0.432 470 R N -0.326 120.140 120.500 -0.057 0.000 2.122 470 R HA -0.208 4.131 4.340 -0.002 0.000 0.236 470 R C 2.189 178.395 176.300 -0.157 0.000 1.129 470 R CA 2.153 57.989 56.100 -0.440 0.000 0.925 470 R CB -0.704 28.902 30.300 -1.157 0.000 0.850 470 R HN 0.648 8.918 8.270 -0.000 0.000 0.431 471 S N -0.535 115.061 115.700 -0.173 0.000 2.723 471 S HA -0.034 4.435 4.470 -0.002 0.000 0.231 471 S C 1.565 176.064 174.600 -0.168 0.000 0.967 471 S CA 0.611 58.726 58.200 -0.142 0.000 0.958 471 S CB -0.015 63.112 63.200 -0.123 0.000 0.778 471 S HN 0.371 8.681 8.310 -0.000 0.000 0.537 472 R N -1.437 118.941 120.500 -0.203 0.000 2.257 472 R HA 0.338 4.677 4.340 -0.002 0.000 0.195 472 R C 0.662 176.485 176.300 -0.796 0.000 0.921 472 R CA 0.452 56.261 56.100 -0.485 0.000 1.069 472 R CB 0.346 30.318 30.300 -0.548 0.000 1.115 472 R HN 0.562 8.832 8.270 -0.000 0.000 0.571 473 Y N -2.548 117.647 120.300 -0.175 0.000 2.441 473 Y HA 0.267 4.817 4.550 -0.000 0.000 0.266 473 Y C 0.019 175.459 175.900 -0.766 0.000 1.093 473 Y CA -0.385 57.431 58.100 -0.473 0.000 1.246 473 Y CB 0.882 38.976 38.460 -0.610 0.000 1.262 473 Y HN -0.123 8.157 8.280 -0.000 0.000 0.518 474 F N -0.887 119.017 119.950 -0.077 0.000 2.928 474 F HA 0.351 4.878 4.527 -0.000 0.000 0.337 474 F C 1.650 177.348 175.800 -0.171 0.000 1.259 474 F CA -0.423 57.473 58.000 -0.173 0.000 1.267 474 F CB 0.330 39.195 39.000 -0.226 0.000 0.986 474 F HN -0.132 8.168 8.300 -0.000 0.000 0.507 475 S N 1.848 117.520 115.700 -0.046 0.000 2.380 475 S HA -0.282 4.187 4.470 -0.002 0.000 0.229 475 S C 2.089 176.673 174.600 -0.027 0.000 1.050 475 S CA 2.168 60.333 58.200 -0.060 0.000 1.100 475 S CB -0.088 63.068 63.200 -0.074 0.000 0.984 475 S HN 0.517 8.827 8.310 -0.000 0.000 0.434 476 R N 0.765 121.267 120.500 0.004 0.000 4.306 476 R HA 0.681 5.020 4.340 -0.002 0.000 0.266 476 R C -0.417 175.913 176.300 0.050 0.000 1.624 476 R CA -0.158 55.957 56.100 0.024 0.000 1.487 476 R CB -0.706 29.616 30.300 0.035 0.000 1.441 476 R HN 0.466 8.736 8.270 -0.000 0.000 0.750 477 L N 1.598 122.842 121.223 0.036 0.000 2.431 477 L HA 0.604 4.943 4.340 -0.002 0.000 0.266 477 L C -2.326 174.562 176.870 0.030 0.000 0.978 477 L CA -1.971 52.901 54.840 0.054 0.000 0.822 477 L CB 2.953 45.050 42.059 0.064 0.000 1.310 477 L HN 0.316 8.546 8.230 -0.000 0.000 0.409 478 P HA 0.070 4.489 4.420 -0.000 0.000 0.265 478 P C 0.400 177.721 177.300 0.035 0.000 1.222 478 P CA -0.168 62.953 63.100 0.034 0.000 0.767 478 P CB 0.896 32.620 31.700 0.041 0.000 0.801 479 A N 3.691 126.526 122.820 0.025 0.000 2.194 479 A HA -0.175 4.144 4.320 -0.002 0.000 0.220 479 A C 2.133 179.760 177.584 0.073 0.000 1.162 479 A CA 2.044 54.107 52.037 0.042 0.000 0.674 479 A CB -0.732 18.280 19.000 0.020 0.000 0.789 479 A HN 0.608 8.758 8.150 -0.000 0.000 0.470 480 R N -0.747 119.778 120.500 0.042 0.000 2.334 480 R HA 0.393 4.732 4.340 -0.002 0.000 0.212 480 R C 1.863 178.160 176.300 -0.005 0.000 0.897 480 R CA 1.129 57.241 56.100 0.020 0.000 1.056 480 R CB -1.361 28.945 30.300 0.010 0.000 1.046 480 R HN 0.924 9.194 8.270 -0.000 0.000 0.513 481 V N -3.175 116.743 119.914 0.006 0.000 2.825 481 V HA 0.049 4.168 4.120 -0.002 0.000 0.246 481 V C 2.264 178.303 176.094 -0.092 0.000 1.068 481 V CA 1.138 63.421 62.300 -0.027 0.000 1.088 481 V CB -0.893 30.939 31.823 0.016 0.000 0.733 481 V HN 0.432 8.622 8.190 -0.000 0.000 0.468 482 Y N 1.982 122.163 120.300 -0.198 0.000 2.165 482 Y HA -0.261 4.288 4.550 -0.000 0.000 0.286 482 Y C 2.706 178.465 175.900 -0.236 0.000 1.155 482 Y CA 2.582 60.493 58.100 -0.314 0.000 1.164 482 Y CB -0.363 37.925 38.460 -0.287 0.000 0.978 482 Y HN 0.405 8.685 8.280 -0.000 0.000 0.513 483 Q N 0.443 120.131 119.800 -0.188 0.000 2.084 483 Q HA -0.148 4.191 4.340 -0.002 0.000 0.202 483 Q C 2.332 178.188 176.000 -0.240 0.000 0.978 483 Q CA 2.075 57.745 55.803 -0.222 0.000 0.844 483 Q CB -0.594 28.109 28.738 -0.058 0.000 0.898 483 Q HN 0.563 8.833 8.270 -0.000 0.000 0.426 484 A N -0.047 122.659 122.820 -0.190 0.000 1.898 484 A HA -0.136 4.183 4.320 -0.002 0.000 0.216 484 A C 1.943 179.362 177.584 -0.274 0.000 1.181 484 A CA 1.279 53.211 52.037 -0.177 0.000 0.620 484 A CB -0.814 18.114 19.000 -0.120 0.000 0.819 484 A HN 0.451 8.601 8.150 -0.000 0.000 0.442 485 L N 0.076 121.063 121.223 -0.393 0.000 1.971 485 L HA -0.196 4.143 4.340 -0.002 0.000 0.215 485 L C 2.507 178.986 176.870 -0.652 0.000 1.072 485 L CA 1.839 56.280 54.840 -0.664 0.000 0.758 485 L CB -0.926 40.649 42.059 -0.808 0.000 0.889 485 L HN 0.449 8.679 8.230 -0.000 0.000 0.433 486 L N -1.196 119.750 121.223 -0.462 0.000 2.012 486 L HA -0.261 4.078 4.340 -0.002 0.000 0.210 486 L C 2.455 179.297 176.870 -0.045 0.000 1.073 486 L CA 1.703 56.447 54.840 -0.159 0.000 0.748 486 L CB -0.594 41.308 42.059 -0.262 0.000 0.891 486 L HN 0.321 8.551 8.230 -0.000 0.000 0.431 487 E N -0.359 119.773 120.200 -0.114 0.000 2.204 487 E HA -0.231 4.118 4.350 -0.002 0.000 0.194 487 E C 1.928 178.509 176.600 -0.032 0.000 0.989 487 E CA 0.648 57.019 56.400 -0.049 0.000 0.824 487 E CB 0.200 29.864 29.700 -0.060 0.000 0.756 487 E HN 0.292 8.652 8.360 -0.000 0.000 0.477 488 E N -0.040 120.099 120.200 -0.100 0.000 2.006 488 E HA -0.188 4.161 4.350 -0.002 0.000 0.192 488 E C 1.427 178.054 176.600 0.046 0.000 0.993 488 E CA 1.453 57.802 56.400 -0.085 0.000 0.808 488 E CB -0.486 29.090 29.700 -0.207 0.000 0.764 488 E HN 0.304 8.664 8.360 -0.000 0.000 0.449 489 W N 1.042 122.317 121.300 -0.043 0.000 2.313 489 W HA -0.162 4.496 4.660 -0.003 0.000 0.293 489 W C 2.768 179.261 176.519 -0.043 0.000 1.216 489 W CA 1.575 58.865 57.345 -0.090 0.000 1.223 489 W CB -1.497 27.933 29.460 -0.049 0.000 1.138 489 W HN 0.244 8.424 8.180 -0.000 0.000 0.535 490 S N -0.279 115.550 115.700 0.216 0.000 2.382 490 S HA -0.156 4.313 4.470 -0.002 0.000 0.228 490 S C 2.130 176.784 174.600 0.090 0.000 1.027 490 S CA 1.142 59.422 58.200 0.133 0.000 0.991 490 S CB -0.159 63.096 63.200 0.093 0.000 0.823 490 S HN 0.115 8.425 8.310 -0.000 0.000 0.469 491 R N 0.819 121.360 120.500 0.069 0.000 2.073 491 R HA 0.043 4.382 4.340 -0.002 0.000 0.229 491 R C 1.795 178.121 176.300 0.044 0.000 1.120 491 R CA 1.324 57.451 56.100 0.044 0.000 0.967 491 R CB -0.471 29.843 30.300 0.024 0.000 0.862 491 R HN 0.587 8.857 8.270 -0.000 0.000 0.436 492 E N -0.408 119.824 120.200 0.054 0.000 2.501 492 E HA -0.101 4.248 4.350 -0.002 0.000 0.203 492 E C 0.666 177.286 176.600 0.033 0.000 1.072 492 E CA 0.579 57.001 56.400 0.038 0.000 0.885 492 E CB -0.198 29.525 29.700 0.038 0.000 0.813 492 E HN 0.576 8.936 8.360 -0.000 0.000 0.556 493 G N 1.715 110.547 108.800 0.053 0.000 2.283 493 G HA2 -0.355 3.603 3.960 -0.002 0.000 0.280 493 G HA3 -0.355 3.603 3.960 -0.002 0.000 0.280 493 G C 0.759 175.704 174.900 0.075 0.000 1.029 493 G CA 0.780 45.916 45.100 0.061 0.000 0.840 493 G HN 0.322 8.612 8.290 -0.000 0.000 0.505 494 R N -1.413 119.135 120.500 0.080 0.000 2.175 494 R HA 0.372 4.711 4.340 -0.002 0.000 0.202 494 R C 1.004 177.439 176.300 0.225 0.000 1.018 494 R CA 0.444 56.617 56.100 0.121 0.000 1.029 494 R CB 0.398 30.637 30.300 -0.102 0.000 0.959 494 R HN 0.430 8.700 8.270 -0.000 0.000 0.480 495 L N 1.203 122.547 121.223 0.202 0.000 2.354 495 L HA 0.379 4.718 4.340 -0.002 0.000 0.269 495 L C -0.636 176.329 176.870 0.157 0.000 1.005 495 L CA -0.881 54.080 54.840 0.202 0.000 0.819 495 L CB 2.343 44.541 42.059 0.231 0.000 1.311 495 L HN -0.061 8.169 8.230 -0.000 0.000 0.423 496 Q N 2.641 122.532 119.800 0.152 0.000 2.257 496 Q HA 0.625 4.964 4.340 -0.002 0.000 0.255 496 Q C -1.292 174.777 176.000 0.116 0.000 0.920 496 Q CA -0.509 55.373 55.803 0.132 0.000 0.927 496 Q CB 2.489 31.317 28.738 0.151 0.000 1.229 496 Q HN 0.418 8.688 8.270 -0.000 0.000 0.433 497 L N 1.613 122.890 121.223 0.091 0.000 2.346 497 L HA 0.791 5.130 4.340 -0.002 0.000 0.276 497 L C -0.450 176.456 176.870 0.059 0.000 1.006 497 L CA -0.527 54.353 54.840 0.067 0.000 0.817 497 L CB 1.727 43.815 42.059 0.049 0.000 1.272 497 L HN 0.697 8.927 8.230 -0.000 0.000 0.421 498 A N 1.820 124.667 122.820 0.045 0.000 2.392 498 A HA 0.854 5.173 4.320 -0.002 0.000 0.283 498 A C 0.854 178.448 177.584 0.017 0.000 1.197 498 A CA 0.183 52.241 52.037 0.035 0.000 0.895 498 A CB 0.913 19.932 19.000 0.031 0.000 1.400 498 A HN 0.788 8.938 8.150 -0.000 0.000 0.461 499 A N 0.206 123.030 122.820 0.007 0.000 1.865 499 A HA -0.183 4.136 4.320 -0.002 0.000 0.217 499 A C 1.475 179.059 177.584 -0.000 0.000 1.191 499 A CA 2.619 54.656 52.037 0.000 0.000 0.623 499 A CB -0.784 18.207 19.000 -0.015 0.000 0.826 499 A HN 1.267 9.417 8.150 -0.000 0.000 0.444 500 N N -1.852 116.841 118.700 -0.011 0.000 2.171 500 N HA 0.094 4.833 4.740 -0.002 0.000 0.212 500 N C -0.024 175.468 175.510 -0.031 0.000 1.184 500 N CA 0.830 53.873 53.050 -0.013 0.000 0.888 500 N CB 0.264 38.747 38.487 -0.007 0.000 1.038 500 N HN 0.401 8.781 8.380 -0.000 0.000 0.517 501 T N -2.180 112.350 114.554 -0.040 0.000 2.907 501 T HA 0.699 5.048 4.350 -0.002 0.000 0.292 501 T C -0.544 174.136 174.700 -0.033 0.000 1.043 501 T CA -0.793 61.264 62.100 -0.071 0.000 1.003 501 T CB 1.823 70.621 68.868 -0.115 0.000 1.084 501 T HN -0.113 8.127 8.240 -0.000 0.000 0.483 502 V N 0.970 120.852 119.914 -0.053 0.000 2.630 502 V HA 0.897 5.016 4.120 -0.002 0.000 0.305 502 V C 0.307 176.391 176.094 -0.016 0.000 1.046 502 V CA -0.870 61.426 62.300 -0.007 0.000 0.934 502 V CB 1.168 32.996 31.823 0.008 0.000 1.003 502 V HN 1.388 9.578 8.190 -0.000 0.000 0.451 503 A N 3.021 125.903 122.820 0.104 0.000 2.515 503 A HA 0.860 5.179 4.320 -0.002 0.000 0.296 503 A C -1.160 176.572 177.584 0.246 0.000 1.094 503 A CA -0.695 51.494 52.037 0.255 0.000 0.718 503 A CB 1.349 20.553 19.000 0.340 0.000 1.307 503 A HN 0.619 8.769 8.150 -0.000 0.000 0.408 504 L N 1.025 122.464 121.223 0.361 0.000 2.464 504 L HA 0.508 4.847 4.340 -0.002 0.000 0.264 504 L C 1.007 177.995 176.870 0.196 0.000 1.199 504 L CA 0.638 55.610 54.840 0.219 0.000 0.818 504 L CB 0.820 42.997 42.059 0.198 0.000 1.102 504 L HN 0.863 9.093 8.230 -0.000 0.000 0.473 505 A N 1.151 124.072 122.820 0.168 0.000 2.331 505 A HA 0.589 4.908 4.320 -0.002 0.000 0.283 505 A C 0.883 178.538 177.584 0.118 0.000 1.142 505 A CA 0.414 52.535 52.037 0.141 0.000 0.812 505 A CB 0.420 19.495 19.000 0.124 0.000 1.074 505 A HN 1.154 9.304 8.150 -0.000 0.000 0.497 506 G N 1.102 109.958 108.800 0.093 0.000 2.436 506 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.204 506 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.204 506 G C 0.217 175.142 174.900 0.041 0.000 1.026 506 G CA 0.045 45.181 45.100 0.060 0.000 0.658 506 G HN 1.478 9.768 8.290 -0.000 0.000 0.499 507 F N 3.969 123.859 119.950 -0.100 0.000 2.578 507 F HA 0.531 5.057 4.527 -0.001 0.000 0.381 507 F C 0.075 175.819 175.800 -0.093 0.000 1.069 507 F CA 1.045 58.924 58.000 -0.202 0.000 1.231 507 F CB 0.862 39.521 39.000 -0.569 0.000 1.086 507 F HN 0.071 8.371 8.300 -0.000 0.000 0.564 508 T N 8.284 122.198 114.554 -1.066 0.000 2.881 508 T HA 0.329 4.678 4.350 -0.002 0.000 0.291 508 T C -2.638 171.447 174.700 -1.024 0.000 0.990 508 T CA -1.219 60.380 62.100 -0.835 0.000 0.976 508 T CB 1.472 70.122 68.868 -0.363 0.000 0.970 508 T HN 0.383 8.623 8.240 -0.000 0.000 0.438 509 P HA 0.113 4.533 4.420 -0.000 0.000 0.269 509 P C 0.278 177.354 177.300 -0.374 0.000 1.215 509 P CA -0.361 62.468 63.100 -0.451 0.000 0.780 509 P CB 0.525 32.171 31.700 -0.090 0.000 0.898 510 S N 1.121 116.600 115.700 -0.369 0.000 3.324 510 S HA 0.235 4.704 4.470 -0.002 0.000 0.229 510 S C 0.073 174.495 174.600 -0.296 0.000 1.417 510 S CA -0.626 57.410 58.200 -0.272 0.000 1.211 510 S CB -1.407 61.688 63.200 -0.175 0.000 1.157 510 S HN 0.150 8.460 8.310 -0.000 0.000 0.491 511 F N 2.495 122.363 119.950 -0.138 0.000 2.380 511 F HA 0.453 4.979 4.527 -0.002 0.000 0.325 511 F C 1.413 177.149 175.800 -0.107 0.000 1.136 511 F CA -0.707 57.212 58.000 -0.134 0.000 1.171 511 F CB 0.718 39.599 39.000 -0.199 0.000 1.230 511 F HN 0.426 8.726 8.300 -0.000 0.000 0.554 512 S N 1.048 116.833 115.700 0.141 0.000 2.572 512 S HA -0.014 4.455 4.470 -0.002 0.000 0.267 512 S C 0.976 175.593 174.600 0.028 0.000 1.361 512 S CA -0.533 57.699 58.200 0.052 0.000 1.009 512 S CB 0.616 63.838 63.200 0.036 0.000 0.888 512 S HN 0.619 8.929 8.310 -0.000 0.000 0.553 513 E N 1.542 121.741 120.200 -0.002 0.000 2.347 513 E HA -0.045 4.304 4.350 -0.002 0.000 0.196 513 E C 1.924 178.500 176.600 -0.041 0.000 1.008 513 E CA 1.339 57.727 56.400 -0.021 0.000 0.852 513 E CB -0.712 28.976 29.700 -0.020 0.000 0.783 513 E HN 0.852 9.213 8.360 -0.000 0.000 0.505 514 T N 0.974 115.503 114.554 -0.041 0.000 2.814 514 T HA -0.082 4.267 4.350 -0.002 0.000 0.254 514 T C 1.895 176.527 174.700 -0.114 0.000 1.037 514 T CA 0.592 62.654 62.100 -0.062 0.000 1.143 514 T CB -0.224 68.617 68.868 -0.045 0.000 0.866 514 T HN 0.148 8.388 8.240 -0.000 0.000 0.431 515 Q N 1.257 120.985 119.800 -0.120 0.000 2.156 515 Q HA -0.204 4.134 4.340 -0.002 0.000 0.211 515 Q C 2.297 178.106 176.000 -0.317 0.000 0.995 515 Q CA 1.520 57.182 55.803 -0.235 0.000 0.877 515 Q CB -0.315 28.310 28.738 -0.189 0.000 0.920 515 Q HN 0.488 8.758 8.270 -0.000 0.000 0.416 516 K N 0.311 120.592 120.400 -0.198 0.000 2.148 516 K HA -0.087 4.232 4.320 -0.002 0.000 0.204 516 K C 2.057 178.559 176.600 -0.164 0.000 1.050 516 K CA 0.653 56.829 56.287 -0.185 0.000 0.942 516 K CB 0.052 32.502 32.500 -0.083 0.000 0.724 516 K HN 0.016 8.266 8.250 -0.000 0.000 0.446 517 K N 0.599 120.913 120.400 -0.143 0.000 2.186 517 K HA -0.032 4.287 4.320 -0.002 0.000 0.202 517 K C 1.926 178.417 176.600 -0.183 0.000 1.052 517 K CA 0.391 56.604 56.287 -0.123 0.000 0.965 517 K CB 0.136 32.584 32.500 -0.087 0.000 0.746 517 K HN 0.005 8.255 8.250 -0.000 0.000 0.457 518 L N 1.667 122.738 121.223 -0.253 0.000 2.042 518 L HA -0.161 4.178 4.340 -0.002 0.000 0.210 518 L C 2.234 178.893 176.870 -0.352 0.000 1.076 518 L CA 1.407 56.016 54.840 -0.385 0.000 0.749 518 L CB -0.925 40.908 42.059 -0.377 0.000 0.893 518 L HN 0.163 8.393 8.230 -0.000 0.000 0.432 519 L N -1.048 119.998 121.223 -0.295 0.000 2.042 519 L HA -0.285 4.054 4.340 -0.002 0.000 0.210 519 L C 2.597 179.402 176.870 -0.109 0.000 1.076 519 L CA 1.406 56.117 54.840 -0.216 0.000 0.749 519 L CB -0.533 41.374 42.059 -0.252 0.000 0.893 519 L HN 0.295 8.525 8.230 -0.000 0.000 0.432 520 K N -0.183 120.158 120.400 -0.098 0.000 2.057 520 K HA -0.186 4.133 4.320 -0.002 0.000 0.207 520 K C 1.688 178.276 176.600 -0.020 0.000 1.049 520 K CA 1.593 57.859 56.287 -0.035 0.000 0.931 520 K CB -0.101 32.381 32.500 -0.031 0.000 0.714 520 K HN 0.280 8.530 8.250 -0.000 0.000 0.440 521 D N 0.596 120.950 120.400 -0.077 0.000 2.178 521 D HA -0.115 4.524 4.640 -0.002 0.000 0.202 521 D C 1.807 178.139 176.300 0.053 0.000 0.974 521 D CA 0.656 54.641 54.000 -0.025 0.000 0.841 521 D CB -0.031 40.690 40.800 -0.132 0.000 0.953 521 D HN -0.021 8.349 8.370 -0.000 0.000 0.478 522 L N 1.095 122.299 121.223 -0.032 0.000 1.961 522 L HA -0.139 4.200 4.340 -0.002 0.000 0.210 522 L C 2.375 179.414 176.870 0.283 0.000 1.072 522 L CA 1.546 56.481 54.840 0.158 0.000 0.749 522 L CB -1.283 40.804 42.059 0.047 0.000 0.889 522 L HN 0.099 8.329 8.230 -0.000 0.000 0.432 523 E N -0.393 119.911 120.200 0.174 0.000 2.086 523 E HA -0.306 4.043 4.350 -0.002 0.000 0.200 523 E C 1.740 178.459 176.600 0.197 0.000 1.012 523 E CA 2.015 58.545 56.400 0.217 0.000 0.812 523 E CB -0.038 29.758 29.700 0.160 0.000 0.743 523 E HN 0.498 8.858 8.360 -0.000 0.000 0.453 524 D N -0.252 120.221 120.400 0.121 0.000 2.092 524 D HA -0.174 4.465 4.640 -0.002 0.000 0.193 524 D C 1.916 178.249 176.300 0.056 0.000 0.994 524 D CA 1.679 55.717 54.000 0.063 0.000 0.828 524 D CB -0.060 40.769 40.800 0.049 0.000 0.963 524 D HN 0.026 8.396 8.370 -0.000 0.000 0.450 525 K N -0.711 119.750 120.400 0.102 0.000 2.103 525 K HA -0.180 4.139 4.320 -0.002 0.000 0.207 525 K C 1.843 178.391 176.600 -0.086 0.000 1.048 525 K CA 1.245 57.530 56.287 -0.002 0.000 0.930 525 K CB -0.341 32.159 32.500 0.001 0.000 0.716 525 K HN 0.283 8.533 8.250 -0.000 0.000 0.444 526 Y N 0.132 120.458 120.300 0.043 0.000 2.263 526 Y HA -0.091 4.459 4.550 -0.001 0.000 0.292 526 Y C 2.507 178.375 175.900 -0.053 0.000 1.130 526 Y CA 1.764 59.891 58.100 0.046 0.000 1.179 526 Y CB -0.105 38.448 38.460 0.155 0.000 0.998 526 Y HN 0.087 8.367 8.280 -0.000 0.000 0.532 527 R N 0.090 120.568 120.500 -0.036 0.000 2.070 527 R HA -0.138 4.201 4.340 -0.002 0.000 0.233 527 R C 1.899 178.060 176.300 -0.232 0.000 1.137 527 R CA 1.941 57.807 56.100 -0.391 0.000 0.945 527 R CB -0.652 29.305 30.300 -0.570 0.000 0.845 527 R HN 0.166 8.436 8.270 -0.000 0.000 0.430 528 V N 0.643 120.457 119.914 -0.166 0.000 2.490 528 V HA -0.188 3.931 4.120 -0.002 0.000 0.250 528 V C 2.227 178.212 176.094 -0.182 0.000 1.061 528 V CA 2.031 64.237 62.300 -0.157 0.000 1.064 528 V CB -0.351 31.402 31.823 -0.117 0.000 0.670 528 V HN 0.366 8.556 8.190 -0.000 0.000 0.461 529 S N -1.646 113.945 115.700 -0.182 0.000 2.428 529 S HA -0.038 4.431 4.470 -0.002 0.000 0.230 529 S C 1.354 175.786 174.600 -0.280 0.000 1.014 529 S CA 1.004 59.069 58.200 -0.226 0.000 0.957 529 S CB -0.134 62.918 63.200 -0.247 0.000 0.784 529 S HN 0.576 8.886 8.310 -0.000 0.000 0.499 530 R N -0.559 119.801 120.500 -0.234 0.000 3.853 530 R HA -0.253 4.086 4.340 -0.002 0.000 0.440 530 R C 0.093 176.212 176.300 -0.303 0.000 0.241 530 R CA 2.017 57.962 56.100 -0.258 0.000 1.395 530 R CB -1.476 28.570 30.300 -0.423 0.000 0.984 530 R HN 0.403 8.673 8.270 -0.000 0.000 0.570 531 W N 1.123 122.143 121.300 -0.466 0.000 2.961 531 W HA 0.101 4.760 4.660 -0.002 0.000 0.240 531 W C 0.541 176.399 176.519 -1.102 0.000 1.305 531 W CA 0.654 57.561 57.345 -0.730 0.000 1.465 531 W CB -0.372 28.918 29.460 -0.283 0.000 1.135 531 W HN 0.393 8.573 8.180 -0.000 0.000 0.688 532 Q N 0.688 119.998 119.800 -0.817 0.000 2.773 532 Q HA 0.150 4.489 4.340 -0.002 0.000 0.373 532 Q C -2.186 173.444 176.000 -0.615 0.000 0.940 532 Q CA -1.706 53.380 55.803 -1.195 0.000 1.015 532 Q CB 1.019 29.297 28.738 -0.767 0.000 1.349 532 Q HN -0.187 8.083 8.270 -0.000 0.000 0.413 533 P HA -0.004 4.416 4.420 -0.000 0.000 0.265 533 P C -2.458 174.894 177.300 0.086 0.000 1.187 533 P CA -0.740 62.262 63.100 -0.165 0.000 0.766 533 P CB 0.166 31.825 31.700 -0.067 0.000 0.820 534 P HA 0.035 4.455 4.420 -0.000 0.000 0.272 534 P C -0.446 176.928 177.300 0.123 0.000 1.223 534 P CA -0.223 62.882 63.100 0.009 0.000 0.784 534 P CB 0.521 32.163 31.700 -0.097 0.000 0.923 535 W N 1.009 122.339 121.300 0.051 0.000 2.170 535 W HA 0.045 4.704 4.660 -0.002 0.000 0.342 535 W C 1.987 178.519 176.519 0.023 0.000 1.294 535 W CA -0.414 56.867 57.345 -0.106 0.000 1.246 535 W CB -0.437 28.929 29.460 -0.155 0.000 1.156 535 W HN 0.160 8.340 8.180 -0.000 0.000 0.572 536 V N 3.260 123.371 119.914 0.328 0.000 2.277 536 V HA -0.402 3.717 4.120 -0.002 0.000 0.253 536 V C 2.584 178.794 176.094 0.194 0.000 1.067 536 V CA 2.594 65.068 62.300 0.290 0.000 1.047 536 V CB -0.532 31.467 31.823 0.293 0.000 0.649 536 V HN 0.672 8.862 8.190 -0.000 0.000 0.447 537 K N -0.250 120.231 120.400 0.135 0.000 2.217 537 K HA -0.185 4.134 4.320 -0.002 0.000 0.202 537 K C 1.754 178.392 176.600 0.063 0.000 1.051 537 K CA 1.733 58.057 56.287 0.061 0.000 0.952 537 K CB -0.436 32.048 32.500 -0.027 0.000 0.736 537 K HN 0.540 8.790 8.250 -0.000 0.000 0.453 538 E N 1.065 121.336 120.200 0.119 0.000 2.085 538 E HA -0.130 4.219 4.350 -0.002 0.000 0.194 538 E C 2.068 178.693 176.600 0.042 0.000 0.994 538 E CA 1.504 57.958 56.400 0.090 0.000 0.801 538 E CB -0.017 29.776 29.700 0.154 0.000 0.743 538 E HN 0.129 8.489 8.360 -0.000 0.000 0.453 539 V N 1.037 121.004 119.914 0.089 0.000 2.302 539 V HA -0.200 3.919 4.120 -0.002 0.000 0.243 539 V C 2.321 178.500 176.094 0.142 0.000 1.036 539 V CA 1.518 63.879 62.300 0.102 0.000 1.020 539 V CB -0.877 31.077 31.823 0.218 0.000 0.657 539 V HN 0.308 8.498 8.190 -0.000 0.000 0.453 540 A N 1.042 123.948 122.820 0.144 0.000 1.894 540 A HA -0.291 4.028 4.320 -0.002 0.000 0.220 540 A C 2.414 180.050 177.584 0.088 0.000 1.237 540 A CA 2.747 54.856 52.037 0.121 0.000 0.660 540 A CB -1.570 17.483 19.000 0.089 0.000 0.835 540 A HN 0.573 8.723 8.150 -0.000 0.000 0.461 541 G N -1.757 107.070 108.800 0.045 0.000 2.418 541 G HA2 -0.165 3.794 3.960 -0.002 0.000 0.217 541 G HA3 -0.165 3.794 3.960 -0.002 0.000 0.217 541 G C 1.916 176.806 174.900 -0.016 0.000 1.158 541 G CA 1.505 46.613 45.100 0.013 0.000 0.771 541 G HN 0.574 8.864 8.290 -0.000 0.000 0.545 542 S N -0.386 115.272 115.700 -0.071 0.000 2.383 542 S HA 0.042 4.511 4.470 -0.002 0.000 0.227 542 S C 1.776 176.203 174.600 -0.289 0.000 1.026 542 S CA 0.758 58.821 58.200 -0.227 0.000 0.981 542 S CB -0.296 62.671 63.200 -0.389 0.000 0.818 542 S HN 0.366 8.676 8.310 -0.000 0.000 0.472 543 F N 1.188 121.141 119.950 0.005 0.000 2.727 543 F HA 0.342 4.868 4.527 -0.002 0.000 0.302 543 F C 0.720 176.521 175.800 0.002 0.000 1.097 543 F CA -0.080 57.921 58.000 0.001 0.000 1.330 543 F CB 0.033 39.034 39.000 0.002 0.000 1.084 543 F HN 0.165 8.465 8.300 -0.000 0.000 0.578 544 N N 1.976 120.756 118.700 0.135 0.000 2.573 544 N HA -0.197 4.541 4.740 -0.002 0.000 0.275 544 N C -1.675 173.892 175.510 0.095 0.000 1.208 544 N CA 0.383 53.485 53.050 0.087 0.000 0.688 544 N CB -1.128 37.396 38.487 0.062 0.000 0.882 544 N HN 0.309 8.689 8.380 -0.000 0.000 0.548 545 L N 0.477 121.755 121.223 0.092 0.000 2.445 545 L HA 0.415 4.754 4.340 -0.002 0.000 0.262 545 L C -0.077 176.830 176.870 0.062 0.000 0.974 545 L CA -1.199 53.688 54.840 0.078 0.000 0.822 545 L CB 1.637 43.753 42.059 0.095 0.000 1.339 545 L HN 0.262 8.492 8.230 -0.000 0.000 0.409 546 D N 3.774 124.203 120.400 0.049 0.000 2.425 546 D HA 0.088 4.727 4.640 -0.002 0.000 0.247 546 D C -1.575 174.756 176.300 0.051 0.000 1.147 546 D CA -1.310 52.717 54.000 0.044 0.000 0.879 546 D CB 1.424 42.247 40.800 0.038 0.000 1.179 546 D HN 0.184 8.554 8.370 -0.000 0.000 0.456 547 P HA -0.331 4.089 4.420 -0.000 0.000 0.216 547 P C 1.359 178.698 177.300 0.064 0.000 1.062 547 P CA 2.755 65.890 63.100 0.058 0.000 0.995 547 P CB -0.467 31.262 31.700 0.049 0.000 0.762 548 S N -1.022 114.714 115.700 0.060 0.000 2.440 548 S HA -0.226 4.243 4.470 -0.002 0.000 0.238 548 S C 2.043 176.687 174.600 0.073 0.000 1.010 548 S CA 1.599 59.840 58.200 0.069 0.000 0.972 548 S CB -0.902 62.336 63.200 0.063 0.000 0.774 548 S HN 0.274 8.584 8.310 -0.000 0.000 0.501 549 E N 0.087 120.324 120.200 0.060 0.000 2.112 549 E HA -0.030 4.319 4.350 -0.002 0.000 0.190 549 E C 1.982 178.605 176.600 0.039 0.000 0.979 549 E CA 0.830 57.261 56.400 0.053 0.000 0.814 549 E CB -0.147 29.575 29.700 0.037 0.000 0.762 549 E HN 0.508 8.868 8.360 -0.000 0.000 0.460 550 L N 1.879 123.127 121.223 0.042 0.000 2.056 550 L HA -0.157 4.181 4.340 -0.002 0.000 0.207 550 L C 2.254 179.140 176.870 0.027 0.000 1.078 550 L CA 1.750 56.608 54.840 0.031 0.000 0.749 550 L CB -0.503 41.596 42.059 0.067 0.000 0.901 550 L HN 0.101 8.331 8.230 -0.000 0.000 0.433 551 E N 0.071 120.309 120.200 0.063 0.000 2.070 551 E HA -0.329 4.020 4.350 -0.002 0.000 0.197 551 E C 2.056 178.736 176.600 0.133 0.000 1.004 551 E CA 1.924 58.379 56.400 0.091 0.000 0.805 551 E CB -0.058 29.709 29.700 0.112 0.000 0.744 551 E HN 0.753 9.113 8.360 -0.000 0.000 0.451 552 E N 0.003 120.284 120.200 0.135 0.000 2.047 552 E HA -0.143 4.206 4.350 -0.002 0.000 0.191 552 E C 2.519 179.219 176.600 0.167 0.000 0.987 552 E CA 0.753 57.267 56.400 0.190 0.000 0.799 552 E CB -0.083 29.724 29.700 0.179 0.000 0.752 552 E HN 0.245 8.605 8.360 -0.000 0.000 0.449 553 L N 0.649 121.894 121.223 0.037 0.000 2.017 553 L HA -0.181 4.158 4.340 -0.002 0.000 0.208 553 L C 2.702 179.577 176.870 0.008 0.000 1.073 553 L CA 0.956 55.753 54.840 -0.070 0.000 0.745 553 L CB -0.533 41.412 42.059 -0.191 0.000 0.894 553 L HN 0.292 8.522 8.230 -0.000 0.000 0.432 554 L N -1.068 120.130 121.223 -0.043 0.000 2.093 554 L HA -0.248 4.091 4.340 -0.002 0.000 0.208 554 L C 2.623 179.501 176.870 0.013 0.000 1.085 554 L CA 1.230 55.965 54.840 -0.175 0.000 0.755 554 L CB -0.736 41.004 42.059 -0.532 0.000 0.904 554 L HN 0.371 8.601 8.230 -0.000 0.000 0.435 555 H N -1.301 117.782 119.070 0.021 0.000 2.421 555 H HA -0.246 4.308 4.556 -0.002 0.000 0.298 555 H C 2.271 177.684 175.328 0.141 0.000 1.087 555 H CA 1.380 57.489 56.048 0.102 0.000 1.330 555 H CB 0.209 30.048 29.762 0.129 0.000 1.388 555 H HN 0.312 8.592 8.280 -0.000 0.000 0.526 556 Y N 1.327 121.672 120.300 0.076 0.000 2.089 556 Y HA -0.259 4.290 4.550 -0.001 0.000 0.282 556 Y C 2.378 178.314 175.900 0.061 0.000 1.139 556 Y CA 1.770 59.911 58.100 0.068 0.000 1.123 556 Y CB -0.552 37.994 38.460 0.143 0.000 0.980 556 Y HN 0.109 8.389 8.280 -0.000 0.000 0.493 557 L N -0.948 120.380 121.223 0.174 0.000 2.051 557 L HA -0.305 4.034 4.340 -0.002 0.000 0.214 557 L C 2.392 179.261 176.870 -0.001 0.000 1.076 557 L CA 1.472 56.342 54.840 0.051 0.000 0.758 557 L CB -1.095 40.985 42.059 0.035 0.000 0.890 557 L HN 0.171 8.401 8.230 -0.000 0.000 0.433 558 V N -0.177 119.772 119.914 0.060 0.000 2.252 558 V HA -0.337 3.782 4.120 -0.002 0.000 0.249 558 V C 2.672 178.797 176.094 0.051 0.000 1.056 558 V CA 1.971 64.330 62.300 0.098 0.000 1.022 558 V CB -0.603 31.352 31.823 0.219 0.000 0.641 558 V HN 0.407 8.597 8.190 -0.000 0.000 0.445 559 R N -0.573 119.948 120.500 0.035 0.000 2.117 559 R HA -0.226 4.113 4.340 -0.002 0.000 0.243 559 R C 2.368 178.607 176.300 -0.102 0.000 1.143 559 R CA 1.821 57.895 56.100 -0.043 0.000 0.968 559 R CB -0.268 29.953 30.300 -0.133 0.000 0.863 559 R HN 0.618 8.888 8.270 -0.000 0.000 0.444 560 E N -0.862 119.246 120.200 -0.152 0.000 2.208 560 E HA -0.091 4.258 4.350 -0.002 0.000 0.193 560 E C 0.743 177.306 176.600 -0.062 0.000 0.988 560 E CA 0.818 57.136 56.400 -0.136 0.000 0.828 560 E CB 0.268 29.873 29.700 -0.159 0.000 0.763 560 E HN 0.502 8.862 8.360 -0.000 0.000 0.478 561 G N -0.164 108.609 108.800 -0.046 0.000 2.159 561 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.227 561 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.227 561 G C 0.829 175.689 174.900 -0.066 0.000 0.986 561 G CA 0.360 45.438 45.100 -0.038 0.000 0.651 561 G HN 0.236 8.526 8.290 -0.000 0.000 0.523 562 V N 0.090 119.964 119.914 -0.066 0.000 2.788 562 V HA 0.355 4.474 4.120 -0.002 0.000 0.251 562 V C 1.407 177.397 176.094 -0.174 0.000 1.068 562 V CA 1.596 63.825 62.300 -0.118 0.000 1.090 562 V CB -0.017 31.797 31.823 -0.014 0.000 0.710 562 V HN 0.401 8.591 8.190 -0.000 0.000 0.467 563 L N -1.005 120.172 121.223 -0.076 0.000 2.333 563 L HA 0.629 4.968 4.340 -0.002 0.000 0.263 563 L C -1.128 175.757 176.870 0.026 0.000 1.014 563 L CA -0.633 54.186 54.840 -0.035 0.000 0.820 563 L CB 2.555 44.569 42.059 -0.075 0.000 1.352 563 L HN -0.215 8.015 8.230 -0.000 0.000 0.421 564 V N 1.370 121.316 119.914 0.053 0.000 2.656 564 V HA 0.295 4.414 4.120 -0.002 0.000 0.307 564 V C -0.269 175.781 176.094 -0.073 0.000 1.051 564 V CA -0.862 61.423 62.300 -0.025 0.000 0.893 564 V CB 2.144 33.881 31.823 -0.143 0.000 0.999 564 V HN 0.601 8.791 8.190 -0.000 0.000 0.426 565 K N 3.293 123.619 120.400 -0.122 0.000 2.292 565 K HA 0.308 4.627 4.320 -0.002 0.000 0.290 565 K C 0.372 176.741 176.600 -0.385 0.000 1.083 565 K CA -0.295 55.802 56.287 -0.317 0.000 0.918 565 K CB 0.675 33.056 32.500 -0.199 0.000 1.089 565 K HN 0.524 8.774 8.250 -0.000 0.000 0.473 566 I N 3.352 123.695 120.570 -0.379 0.000 2.296 566 I HA -0.116 4.053 4.170 -0.002 0.000 0.242 566 I C 0.806 176.899 176.117 -0.041 0.000 1.087 566 I CA 0.987 62.086 61.300 -0.335 0.000 1.393 566 I CB -0.348 37.486 38.000 -0.277 0.000 1.093 566 I HN 0.825 9.035 8.210 -0.000 0.000 0.421 567 N N -2.118 116.589 118.700 0.012 0.000 3.479 567 N HA 0.126 4.865 4.740 -0.002 0.000 0.336 567 N C 0.159 175.640 175.510 -0.049 0.000 1.623 567 N CA -0.420 52.656 53.050 0.044 0.000 0.759 567 N CB -0.071 38.507 38.487 0.151 0.000 2.016 567 N HN -0.226 8.154 8.380 -0.000 0.000 0.637 568 D N -0.609 119.799 120.400 0.013 0.000 2.277 568 D HA 0.010 4.649 4.640 -0.002 0.000 0.208 568 D C 0.510 176.851 176.300 0.068 0.000 0.962 568 D CA 1.022 55.033 54.000 0.018 0.000 0.865 568 D CB 0.206 41.037 40.800 0.052 0.000 0.939 568 D HN 0.547 8.917 8.370 -0.000 0.000 0.510 569 E N -0.816 119.419 120.200 0.058 0.000 2.340 569 E HA 0.134 4.483 4.350 -0.002 0.000 0.194 569 E C -0.154 176.400 176.600 -0.076 0.000 0.996 569 E CA 0.248 56.657 56.400 0.016 0.000 0.869 569 E CB 0.288 29.987 29.700 -0.002 0.000 0.835 569 E HN 0.159 8.519 8.360 -0.000 0.000 0.493 570 F N 0.122 120.175 119.950 0.171 0.000 2.499 570 F HA 0.387 4.913 4.527 -0.002 0.000 0.333 570 F C -0.790 175.054 175.800 0.073 0.000 1.138 570 F CA -1.185 56.950 58.000 0.225 0.000 0.945 570 F CB 1.206 40.365 39.000 0.264 0.000 1.181 570 F HN -0.193 8.107 8.300 -0.000 0.000 0.435 571 Y N 1.408 122.016 120.300 0.514 0.000 2.387 571 Y HA 0.444 4.993 4.550 -0.002 0.000 0.336 571 Y C -0.815 175.366 175.900 0.469 0.000 1.067 571 Y CA -0.987 57.294 58.100 0.301 0.000 1.114 571 Y CB 1.350 39.767 38.460 -0.072 0.000 1.208 571 Y HN 0.435 8.715 8.280 -0.000 0.000 0.458 572 W N 0.929 122.302 121.300 0.122 0.000 2.689 572 W HA 0.347 5.006 4.660 -0.001 0.000 0.340 572 W C -0.340 176.255 176.519 0.127 0.000 1.060 572 W CA -1.355 56.084 57.345 0.157 0.000 1.218 572 W CB 0.513 30.002 29.460 0.049 0.000 1.410 572 W HN 0.487 8.667 8.180 -0.000 0.000 0.528 573 H N 2.103 121.370 119.070 0.329 0.000 2.815 573 H HA 0.084 4.639 4.556 -0.001 0.000 0.350 573 H C 1.813 177.266 175.328 0.208 0.000 1.080 573 H CA 0.826 57.004 56.048 0.217 0.000 1.433 573 H CB 1.034 30.911 29.762 0.191 0.000 1.432 573 H HN 0.529 8.809 8.280 -0.000 0.000 0.592 574 R N 2.716 122.996 120.500 -0.366 0.000 2.092 574 R HA -0.142 4.197 4.340 -0.002 0.000 0.231 574 R C 1.717 178.042 176.300 0.042 0.000 1.119 574 R CA 1.790 57.819 56.100 -0.119 0.000 0.970 574 R CB -0.230 29.980 30.300 -0.150 0.000 0.864 574 R HN 0.715 8.985 8.270 -0.000 0.000 0.440 575 Q N 0.507 120.385 119.800 0.130 0.000 2.061 575 Q HA -0.144 4.195 4.340 -0.002 0.000 0.204 575 Q C 2.387 178.568 176.000 0.301 0.000 0.984 575 Q CA 1.999 57.952 55.803 0.249 0.000 0.846 575 Q CB -0.276 28.652 28.738 0.317 0.000 0.902 575 Q HN 0.571 8.841 8.270 -0.000 0.000 0.421 576 A N 0.753 123.821 122.820 0.413 0.000 1.892 576 A HA -0.236 4.083 4.320 -0.002 0.000 0.218 576 A C 2.025 179.960 177.584 0.585 0.000 1.188 576 A CA 1.681 54.022 52.037 0.507 0.000 0.631 576 A CB -0.801 18.501 19.000 0.504 0.000 0.822 576 A HN 0.411 8.561 8.150 -0.000 0.000 0.447 577 L N -0.143 121.327 121.223 0.412 0.000 2.056 577 L HA 0.056 4.395 4.340 -0.002 0.000 0.207 577 L C 2.419 179.307 176.870 0.031 0.000 1.078 577 L CA 2.356 57.303 54.840 0.178 0.000 0.749 577 L CB -1.106 40.962 42.059 0.015 0.000 0.901 577 L HN 0.297 8.527 8.230 -0.000 0.000 0.433 578 G N -0.129 108.710 108.800 0.064 0.000 2.476 578 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.218 578 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.218 578 G C 1.311 176.256 174.900 0.075 0.000 1.164 578 G CA 0.973 46.090 45.100 0.028 0.000 0.768 578 G HN 0.674 8.964 8.290 -0.000 0.000 0.560 579 E N 0.852 121.178 120.200 0.210 0.000 2.204 579 E HA 0.050 4.399 4.350 -0.002 0.000 0.194 579 E C 2.625 179.360 176.600 0.226 0.000 0.989 579 E CA 0.908 57.484 56.400 0.293 0.000 0.824 579 E CB -0.374 29.564 29.700 0.395 0.000 0.756 579 E HN 0.407 8.767 8.360 -0.000 0.000 0.477 580 A N 2.013 124.860 122.820 0.044 0.000 1.930 580 A HA -0.103 4.216 4.320 -0.002 0.000 0.217 580 A C 2.282 179.688 177.584 -0.296 0.000 1.175 580 A CA 1.045 52.826 52.037 -0.427 0.000 0.627 580 A CB -0.391 18.280 19.000 -0.547 0.000 0.815 580 A HN 0.076 8.226 8.150 -0.000 0.000 0.443 581 R N -0.375 119.983 120.500 -0.237 0.000 2.070 581 R HA -0.156 4.183 4.340 -0.002 0.000 0.233 581 R C 2.160 178.448 176.300 -0.020 0.000 1.137 581 R CA 1.747 57.689 56.100 -0.264 0.000 0.945 581 R CB -0.391 29.597 30.300 -0.520 0.000 0.845 581 R HN 0.679 8.949 8.270 -0.000 0.000 0.430 582 E N -0.054 120.151 120.200 0.008 0.000 2.086 582 E HA -0.218 4.131 4.350 -0.002 0.000 0.200 582 E C 2.007 178.621 176.600 0.024 0.000 1.012 582 E CA 1.774 58.208 56.400 0.056 0.000 0.812 582 E CB -0.126 29.617 29.700 0.071 0.000 0.743 582 E HN 0.091 8.451 8.360 -0.000 0.000 0.453 583 V N 0.870 120.771 119.914 -0.022 0.000 2.343 583 V HA -0.255 3.864 4.120 -0.002 0.000 0.247 583 V C 2.165 178.187 176.094 -0.120 0.000 1.051 583 V CA 1.652 63.914 62.300 -0.062 0.000 1.036 583 V CB -0.330 31.416 31.823 -0.129 0.000 0.654 583 V HN 0.267 8.457 8.190 -0.000 0.000 0.451 584 I N -0.305 120.178 120.570 -0.145 0.000 2.500 584 I HA -0.180 3.989 4.170 -0.002 0.000 0.252 584 I C 2.493 178.533 176.117 -0.128 0.000 1.142 584 I CA 1.378 62.541 61.300 -0.227 0.000 1.451 584 I CB -0.289 37.600 38.000 -0.184 0.000 1.093 584 I HN 0.267 8.477 8.210 -0.000 0.000 0.430 585 K N 1.266 121.688 120.400 0.037 0.000 2.057 585 K HA -0.251 4.068 4.320 -0.002 0.000 0.206 585 K C 1.953 178.546 176.600 -0.012 0.000 1.050 585 K CA 1.993 58.306 56.287 0.044 0.000 0.935 585 K CB -0.170 32.407 32.500 0.128 0.000 0.715 585 K HN 0.152 8.402 8.250 -0.000 0.000 0.439 586 N N 0.729 119.419 118.700 -0.016 0.000 2.043 586 N HA -0.225 4.514 4.740 -0.002 0.000 0.193 586 N C 1.811 177.290 175.510 -0.052 0.000 1.037 586 N CA 1.479 54.515 53.050 -0.025 0.000 0.851 586 N CB -0.320 38.160 38.487 -0.012 0.000 1.027 586 N HN 0.226 8.606 8.380 -0.000 0.000 0.422 587 L N 0.539 121.694 121.223 -0.112 0.000 2.021 587 L HA -0.081 4.258 4.340 -0.002 0.000 0.215 587 L C 1.956 178.769 176.870 -0.095 0.000 1.074 587 L CA 2.285 57.033 54.840 -0.153 0.000 0.760 587 L CB -1.219 40.642 42.059 -0.330 0.000 0.889 587 L HN 0.294 8.524 8.230 -0.000 0.000 0.433 588 A N -1.493 121.274 122.820 -0.088 0.000 2.206 588 A HA -0.029 4.290 4.320 -0.002 0.000 0.211 588 A C 2.251 179.866 177.584 0.052 0.000 1.158 588 A CA 1.000 53.089 52.037 0.086 0.000 0.761 588 A CB -0.845 18.260 19.000 0.174 0.000 0.801 588 A HN 0.660 8.810 8.150 -0.000 0.000 0.473 589 S N -0.380 115.326 115.700 0.011 0.000 2.555 589 S HA -0.088 4.381 4.470 -0.002 0.000 0.230 589 S C 1.381 175.990 174.600 0.014 0.000 0.978 589 S CA 1.372 59.576 58.200 0.007 0.000 0.934 589 S CB -0.865 62.335 63.200 -0.001 0.000 0.766 589 S HN 0.721 9.031 8.310 -0.000 0.000 0.533 590 T N -2.254 112.314 114.554 0.025 0.000 3.176 590 T HA 0.595 4.944 4.350 -0.002 0.000 0.263 590 T C 0.843 175.565 174.700 0.038 0.000 1.021 590 T CA 0.099 62.214 62.100 0.025 0.000 0.905 590 T CB -0.055 68.826 68.868 0.022 0.000 1.057 590 T HN 1.150 9.390 8.240 -0.000 0.000 0.558 591 G N 2.060 110.891 108.800 0.051 0.000 2.462 591 G HA2 0.157 4.116 3.960 -0.002 0.000 0.685 591 G HA3 0.157 4.116 3.960 -0.002 0.000 0.685 591 G C -3.158 171.805 174.900 0.104 0.000 1.295 591 G CA -0.859 44.273 45.100 0.054 0.000 0.941 591 G HN 0.253 8.543 8.290 -0.000 0.000 0.554 592 P HA 0.520 4.940 4.420 -0.000 0.000 0.269 592 P C -0.544 176.793 177.300 0.062 0.000 1.209 592 P CA 0.178 63.279 63.100 0.002 0.000 0.776 592 P CB 0.277 31.936 31.700 -0.068 0.000 0.876 593 F N -0.581 119.360 119.950 -0.015 0.000 2.588 593 F HA 0.825 5.351 4.527 -0.002 0.000 0.314 593 F C 0.066 175.861 175.800 -0.008 0.000 1.069 593 F CA -1.099 56.896 58.000 -0.009 0.000 0.931 593 F CB 0.990 39.985 39.000 -0.008 0.000 1.260 593 F HN 0.392 8.692 8.300 -0.000 0.000 0.465 594 G N 0.877 109.741 108.800 0.107 0.000 2.642 594 G HA2 0.408 4.367 3.960 -0.002 0.000 0.291 594 G HA3 0.408 4.367 3.960 -0.002 0.000 0.291 594 G C -0.243 174.765 174.900 0.179 0.000 1.345 594 G CA -0.568 44.556 45.100 0.040 0.000 1.043 594 G HN 0.931 9.221 8.290 -0.000 0.000 0.528 595 L N 0.031 121.316 121.223 0.103 0.000 2.095 595 L HA 0.218 4.557 4.340 -0.002 0.000 0.204 595 L C 2.890 179.828 176.870 0.113 0.000 1.080 595 L CA 2.495 57.408 54.840 0.122 0.000 0.759 595 L CB -0.732 41.369 42.059 0.070 0.000 0.914 595 L HN 0.520 8.750 8.230 -0.000 0.000 0.439 596 A N -0.463 122.409 122.820 0.087 0.000 1.940 596 A HA -0.257 4.062 4.320 -0.002 0.000 0.219 596 A C 2.147 179.779 177.584 0.079 0.000 1.176 596 A CA 2.053 54.134 52.037 0.074 0.000 0.631 596 A CB -0.659 18.376 19.000 0.059 0.000 0.814 596 A HN 0.641 8.791 8.150 -0.000 0.000 0.446 597 E N -0.406 119.860 120.200 0.110 0.000 2.072 597 E HA -0.013 4.336 4.350 -0.002 0.000 0.191 597 E C 2.347 178.975 176.600 0.047 0.000 0.985 597 E CA 0.925 57.384 56.400 0.098 0.000 0.801 597 E CB -0.302 29.486 29.700 0.147 0.000 0.750 597 E HN 0.611 8.971 8.360 -0.000 0.000 0.452 598 A N 1.777 124.649 122.820 0.088 0.000 1.908 598 A HA -0.229 4.090 4.320 -0.002 0.000 0.218 598 A C 2.135 179.708 177.584 -0.019 0.000 1.181 598 A CA 1.528 53.545 52.037 -0.032 0.000 0.627 598 A CB -0.460 18.586 19.000 0.076 0.000 0.818 598 A HN 0.037 8.187 8.150 -0.000 0.000 0.445 599 R N 0.141 120.664 120.500 0.038 0.000 2.075 599 R HA -0.144 4.195 4.340 -0.002 0.000 0.232 599 R C 1.209 177.533 176.300 0.040 0.000 1.126 599 R CA 2.016 58.144 56.100 0.046 0.000 0.963 599 R CB -0.804 29.537 30.300 0.069 0.000 0.858 599 R HN 0.466 8.736 8.270 -0.000 0.000 0.435 600 D N 0.715 121.136 120.400 0.036 0.000 2.104 600 D HA -0.122 4.517 4.640 -0.002 0.000 0.194 600 D C 1.810 178.126 176.300 0.027 0.000 0.994 600 D CA 1.833 55.853 54.000 0.034 0.000 0.830 600 D CB -0.401 40.417 40.800 0.032 0.000 0.959 600 D HN 0.342 8.712 8.370 -0.000 0.000 0.452 601 A N 0.556 123.372 122.820 -0.007 0.000 1.902 601 A HA -0.107 4.212 4.320 -0.002 0.000 0.217 601 A C 2.239 179.829 177.584 0.010 0.000 1.181 601 A CA 0.998 53.023 52.037 -0.021 0.000 0.623 601 A CB -0.753 18.192 19.000 -0.093 0.000 0.818 601 A HN 0.247 8.397 8.150 -0.000 0.000 0.443 602 L N -0.674 120.526 121.223 -0.038 0.000 2.599 602 L HA 0.178 4.517 4.340 -0.002 0.000 0.230 602 L C 1.532 178.546 176.870 0.240 0.000 1.141 602 L CA 0.340 55.151 54.840 -0.049 0.000 0.877 602 L CB -0.466 41.414 42.059 -0.298 0.000 1.009 602 L HN 0.558 8.788 8.230 -0.000 0.000 0.447 603 G N 0.279 109.175 108.800 0.160 0.000 2.341 603 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.292 603 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.292 603 G C 0.301 175.279 174.900 0.130 0.000 1.021 603 G CA 0.690 45.875 45.100 0.142 0.000 0.905 603 G HN 0.384 8.674 8.290 -0.000 0.000 0.508 604 S N -1.464 114.305 115.700 0.115 0.000 2.993 604 S HA 0.921 5.390 4.470 -0.002 0.000 0.281 604 S C 0.428 175.113 174.600 0.140 0.000 1.033 604 S CA 0.590 58.859 58.200 0.115 0.000 0.950 604 S CB 1.378 64.648 63.200 0.118 0.000 1.349 604 S HN 1.548 9.858 8.310 -0.000 0.000 0.652 605 S N -0.462 115.369 115.700 0.219 0.000 2.595 605 S HA 0.517 4.985 4.470 -0.002 0.000 0.281 605 S C 0.363 175.050 174.600 0.145 0.000 1.117 605 S CA -0.932 57.374 58.200 0.176 0.000 0.873 605 S CB 1.461 64.766 63.200 0.175 0.000 1.108 605 S HN 0.692 9.002 8.310 -0.000 0.000 0.477 606 R N 1.190 121.746 120.500 0.093 0.000 2.119 606 R HA -0.192 4.147 4.340 -0.002 0.000 0.246 606 R C 2.134 178.462 176.300 0.046 0.000 1.146 606 R CA 1.865 58.008 56.100 0.072 0.000 0.962 606 R CB -0.580 29.759 30.300 0.065 0.000 0.863 606 R HN 0.794 9.064 8.270 -0.000 0.000 0.442 607 K N 0.579 120.980 120.400 0.001 0.000 2.052 607 K HA -0.261 4.058 4.320 -0.002 0.000 0.215 607 K C 1.738 178.171 176.600 -0.278 0.000 1.053 607 K CA 2.078 58.292 56.287 -0.121 0.000 0.934 607 K CB -0.211 32.127 32.500 -0.271 0.000 0.717 607 K HN 0.270 8.520 8.250 -0.000 0.000 0.450 608 Y N -0.323 119.900 120.300 -0.127 0.000 2.314 608 Y HA -0.082 4.467 4.550 -0.002 0.000 0.294 608 Y C 2.274 178.137 175.900 -0.061 0.000 1.119 608 Y CA 0.532 58.485 58.100 -0.246 0.000 1.179 608 Y CB 0.065 38.422 38.460 -0.172 0.000 1.025 608 Y HN -0.141 8.139 8.280 -0.000 0.000 0.541 609 V N -0.131 119.878 119.914 0.158 0.000 2.270 609 V HA -0.262 3.857 4.120 -0.002 0.000 0.245 609 V C 2.264 178.395 176.094 0.061 0.000 1.043 609 V CA 1.467 63.830 62.300 0.106 0.000 1.014 609 V CB -0.773 31.106 31.823 0.092 0.000 0.645 609 V HN 0.307 8.497 8.190 -0.000 0.000 0.447 610 L N 1.346 122.606 121.223 0.062 0.000 2.013 610 L HA -0.089 4.250 4.340 -0.002 0.000 0.212 610 L C -0.119 176.785 176.870 0.058 0.000 1.073 610 L CA 2.592 57.467 54.840 0.059 0.000 0.753 610 L CB -1.992 40.106 42.059 0.065 0.000 0.890 610 L HN 0.257 8.487 8.230 -0.000 0.000 0.432 611 P HA -0.187 4.233 4.420 -0.000 0.000 0.215 611 P C 2.049 179.368 177.300 0.032 0.000 1.153 611 P CA 1.468 64.621 63.100 0.088 0.000 0.853 611 P CB -0.192 31.597 31.700 0.149 0.000 0.788 612 L N -1.115 120.080 121.223 -0.046 0.000 2.046 612 L HA -0.139 4.200 4.340 -0.002 0.000 0.208 612 L C 2.247 179.072 176.870 -0.075 0.000 1.077 612 L CA 1.788 56.500 54.840 -0.214 0.000 0.747 612 L CB -1.288 40.532 42.059 -0.398 0.000 0.896 612 L HN -0.154 8.076 8.230 -0.000 0.000 0.432 613 L N -0.575 120.640 121.223 -0.013 0.000 2.017 613 L HA -0.225 4.114 4.340 -0.002 0.000 0.208 613 L C 2.596 179.483 176.870 0.030 0.000 1.073 613 L CA 1.737 56.600 54.840 0.038 0.000 0.745 613 L CB -0.659 41.444 42.059 0.073 0.000 0.894 613 L HN 0.368 8.598 8.230 -0.000 0.000 0.432 614 E N -0.763 119.458 120.200 0.035 0.000 2.077 614 E HA -0.284 4.065 4.350 -0.002 0.000 0.193 614 E C 2.005 178.618 176.600 0.022 0.000 0.989 614 E CA 1.613 58.031 56.400 0.030 0.000 0.800 614 E CB -0.206 29.523 29.700 0.050 0.000 0.746 614 E HN 0.461 8.821 8.360 -0.000 0.000 0.452 615 Y N 1.184 121.442 120.300 -0.070 0.000 2.181 615 Y HA -0.210 4.339 4.550 -0.002 0.000 0.288 615 Y C 1.813 177.665 175.900 -0.080 0.000 1.146 615 Y CA 1.415 59.459 58.100 -0.093 0.000 1.164 615 Y CB -0.217 38.146 38.460 -0.161 0.000 0.982 615 Y HN -0.044 8.236 8.280 -0.000 0.000 0.515 616 L N 0.176 121.269 121.223 -0.217 0.000 2.131 616 L HA -0.230 4.109 4.340 -0.002 0.000 0.210 616 L C 2.013 178.811 176.870 -0.121 0.000 1.092 616 L CA 1.453 56.178 54.840 -0.192 0.000 0.759 616 L CB -0.654 41.432 42.059 0.046 0.000 0.903 616 L HN 0.261 8.491 8.230 -0.000 0.000 0.435 617 D N -0.242 120.104 120.400 -0.089 0.000 2.117 617 D HA -0.189 4.450 4.640 -0.002 0.000 0.197 617 D C 2.273 178.501 176.300 -0.120 0.000 0.987 617 D CA 1.053 55.007 54.000 -0.078 0.000 0.829 617 D CB -0.187 40.581 40.800 -0.054 0.000 0.961 617 D HN 0.396 8.766 8.370 -0.000 0.000 0.460 618 Q N 0.233 119.930 119.800 -0.172 0.000 2.030 618 Q HA -0.111 4.228 4.340 -0.002 0.000 0.204 618 Q C 2.234 178.105 176.000 -0.216 0.000 0.986 618 Q CA 1.572 57.269 55.803 -0.176 0.000 0.843 618 Q CB -0.086 28.557 28.738 -0.159 0.000 0.904 618 Q HN 0.319 8.589 8.270 -0.000 0.000 0.420 619 V N -1.718 117.969 119.914 -0.378 0.000 3.444 619 V HA 0.042 4.161 4.120 -0.002 0.000 0.271 619 V C 0.160 176.182 176.094 -0.120 0.000 1.188 619 V CA 0.506 62.643 62.300 -0.272 0.000 1.168 619 V CB -0.913 30.687 31.823 -0.372 0.000 0.810 619 V HN 0.339 8.529 8.190 -0.000 0.000 0.500 620 K N -1.256 119.086 120.400 -0.098 0.000 3.162 620 K HA -0.243 4.076 4.320 -0.002 0.000 0.268 620 K C 0.059 176.663 176.600 0.006 0.000 1.062 620 K CA 0.949 57.207 56.287 -0.047 0.000 0.769 620 K CB -1.969 30.503 32.500 -0.047 0.000 1.274 620 K HN 0.689 8.939 8.250 -0.000 0.000 0.478 621 F N -0.922 118.957 119.950 -0.118 0.000 2.480 621 F HA 0.176 4.702 4.527 -0.002 0.000 0.280 621 F C 1.424 177.195 175.800 -0.047 0.000 1.002 621 F CA 0.905 58.857 58.000 -0.081 0.000 1.325 621 F CB 0.214 39.159 39.000 -0.092 0.000 1.134 621 F HN 0.113 8.413 8.300 -0.000 0.000 0.646 622 T N -0.462 114.128 114.554 0.060 0.000 2.888 622 T HA 0.528 4.877 4.350 -0.002 0.000 0.283 622 T C -0.619 174.050 174.700 -0.051 0.000 1.013 622 T CA -0.828 61.261 62.100 -0.019 0.000 0.938 622 T CB 1.675 70.628 68.868 0.142 0.000 1.298 622 T HN 0.221 8.461 8.240 -0.000 0.000 0.580 623 R N 0.111 120.570 120.500 -0.069 0.000 2.678 623 R HA 0.206 4.545 4.340 -0.002 0.000 0.267 623 R C -1.012 175.225 176.300 -0.105 0.000 1.173 623 R CA -0.629 55.421 56.100 -0.084 0.000 1.061 623 R CB 1.498 31.742 30.300 -0.093 0.000 1.262 623 R HN 0.579 8.849 8.270 -0.000 0.000 0.427 624 R N 1.796 122.238 120.500 -0.097 0.000 2.590 624 R HA 0.267 4.606 4.340 -0.002 0.000 0.274 624 R C -0.571 175.667 176.300 -0.103 0.000 1.061 624 R CA 0.071 56.104 56.100 -0.111 0.000 1.081 624 R CB 0.953 31.203 30.300 -0.084 0.000 0.984 624 R HN 0.270 8.540 8.270 -0.000 0.000 0.448 625 V N 2.536 122.381 119.914 -0.116 0.000 2.610 625 V HA 0.267 4.386 4.120 -0.002 0.000 0.288 625 V C 0.684 176.724 176.094 -0.090 0.000 1.055 625 V CA 0.104 62.348 62.300 -0.094 0.000 0.902 625 V CB 1.338 33.103 31.823 -0.097 0.000 1.030 625 V HN 1.120 9.310 8.190 -0.000 0.000 0.448 626 G N 5.056 113.815 108.800 -0.068 0.000 2.582 626 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.288 626 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.288 626 G C 0.204 175.062 174.900 -0.070 0.000 1.247 626 G CA 0.644 45.708 45.100 -0.060 0.000 0.972 626 G HN 1.105 9.396 8.290 -0.000 0.000 0.557 627 D N 0.914 121.274 120.400 -0.067 0.000 2.894 627 D HA 0.419 5.058 4.640 -0.002 0.000 0.248 627 D C 0.587 176.826 176.300 -0.101 0.000 1.291 627 D CA 0.214 54.172 54.000 -0.070 0.000 0.840 627 D CB 0.175 40.948 40.800 -0.045 0.000 1.044 627 D HN 0.681 9.051 8.370 -0.000 0.000 0.484 628 K N -0.445 119.864 120.400 -0.152 0.000 2.318 628 K HA 0.611 4.930 4.320 -0.002 0.000 0.265 628 K C -0.438 175.941 176.600 -0.368 0.000 1.055 628 K CA -0.927 55.209 56.287 -0.251 0.000 0.896 628 K CB 2.338 34.717 32.500 -0.202 0.000 1.479 628 K HN -0.152 8.098 8.250 -0.000 0.000 0.449 629 R N 0.508 120.593 120.500 -0.691 0.000 2.795 629 R HA 0.517 4.856 4.340 -0.002 0.000 0.275 629 R C -0.825 175.148 176.300 -0.546 0.000 0.981 629 R CA -0.919 54.806 56.100 -0.626 0.000 0.917 629 R CB 2.044 31.929 30.300 -0.692 0.000 1.202 629 R HN 0.454 8.724 8.270 -0.000 0.000 0.469 630 V N -1.319 118.461 119.914 -0.224 0.000 3.103 630 V HA 0.650 4.769 4.120 -0.002 0.000 0.318 630 V C -0.483 175.602 176.094 -0.016 0.000 1.114 630 V CA -0.789 61.478 62.300 -0.055 0.000 1.020 630 V CB 2.069 33.859 31.823 -0.055 0.000 1.085 630 V HN 0.393 8.583 8.190 -0.000 0.000 0.446 631 V N 2.576 122.481 119.914 -0.015 0.000 2.350 631 V HA 0.244 4.363 4.120 -0.002 0.000 0.276 631 V C 1.241 177.197 176.094 -0.230 0.000 1.028 631 V CA 0.420 62.608 62.300 -0.186 0.000 0.860 631 V CB 1.115 32.788 31.823 -0.250 0.000 0.990 631 V HN 1.033 9.223 8.190 -0.000 0.000 0.453 632 V N 3.236 122.995 119.914 -0.258 0.000 2.358 632 V HA 0.452 4.571 4.120 -0.002 0.000 0.246 632 V C 0.931 176.896 176.094 -0.215 0.000 1.047 632 V CA 1.528 63.714 62.300 -0.190 0.000 1.035 632 V CB -0.960 30.776 31.823 -0.146 0.000 0.658 632 V HN 1.343 9.533 8.190 -0.000 0.000 0.452 633 G N 0.000 108.594 108.800 -0.344 0.000 5.446 633 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 633 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 633 G CA 0.000 44.941 45.100 -0.265 0.000 0.502 633 G HN 0.000 8.290 8.290 -0.000 0.000 0.925