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 1efh_1_A DATA FIRST_RESID 4 DATA SEQUENCE DFLWFEGIAF PTMGFRSETL RKVRDEFVIR DEDVIILTYP KSGTNWLAEI DATA SEQUENCE LCLMHSKGDA KWIQSVPIWE RSPWVESEIG YTALSETESP RLFSSHLPIQ DATA SEQUENCE LFPKSFFSSK AKVIYLMRNP RDVLVSGYFF WKNMKFIKKP KSWEEYFEWF DATA SEQUENCE CQGTVLYGSW FDHIHGWMPM REEKNFLLLS YEELKQDTGR TIEKICQFLG DATA SEQUENCE KTLEPEELNL ILKNSSFQSM KENKMSNYSL LSVDYVVDXX QLLRKGVSGD DATA SEQUENCE WKNHFTVAQA EDFDKLFQEK MADLPRKLAA ALE 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.206 176.300 -0.157 0.000 2.045 4 D CA 0.000 53.914 54.000 -0.144 0.000 0.868 4 D CB 0.000 40.810 40.800 0.016 0.000 0.688 5 F N 0.341 120.255 119.950 -0.060 0.000 2.403 5 F HA 0.512 5.040 4.527 0.002 0.000 0.326 5 F C 0.090 175.715 175.800 -0.291 0.000 1.081 5 F CA -1.122 56.689 58.000 -0.315 0.000 1.041 5 F CB 1.272 39.796 39.000 -0.793 0.000 1.234 5 F HN 0.159 8.459 8.300 -0.000 0.000 0.503 6 L N 2.807 123.988 121.223 -0.070 0.000 2.255 6 L HA 0.353 4.694 4.340 0.002 0.000 0.289 6 L C -1.523 175.284 176.870 -0.105 0.000 1.046 6 L CA -0.520 54.305 54.840 -0.026 0.000 0.816 6 L CB -0.040 42.008 42.059 -0.019 0.000 1.197 6 L HN 0.402 8.632 8.230 -0.000 0.000 0.427 7 W N 5.508 126.886 121.300 0.130 0.000 2.376 7 W HA 0.516 5.177 4.660 0.002 0.000 0.322 7 W C -0.780 175.860 176.519 0.201 0.000 1.160 7 W CA -0.170 57.261 57.345 0.143 0.000 1.218 7 W CB 1.150 30.652 29.460 0.070 0.000 1.205 7 W HN 0.422 8.602 8.180 -0.000 0.000 0.559 8 F N 3.600 123.718 119.950 0.279 0.000 2.730 8 F HA 0.233 4.761 4.527 0.002 0.000 0.335 8 F C 0.122 176.033 175.800 0.184 0.000 1.212 8 F CA -1.095 56.979 58.000 0.123 0.000 1.016 8 F CB 0.965 39.894 39.000 -0.118 0.000 1.290 8 F HN 0.524 8.824 8.300 -0.000 0.000 0.495 9 E N 3.686 123.669 120.200 -0.362 0.000 2.586 9 E HA -0.228 4.123 4.350 0.002 0.000 0.259 9 E C 1.069 177.649 176.600 -0.034 0.000 1.107 9 E CA 1.263 57.478 56.400 -0.307 0.000 0.754 9 E CB -1.599 27.804 29.700 -0.496 0.000 1.335 9 E HN 1.487 9.847 8.360 -0.000 0.000 0.411 10 G N -0.590 108.269 108.800 0.099 0.000 2.148 10 G HA2 -0.294 3.667 3.960 0.002 0.000 0.254 10 G HA3 -0.294 3.667 3.960 0.002 0.000 0.254 10 G C 0.184 175.311 174.900 0.378 0.000 0.981 10 G CA 0.373 45.578 45.100 0.175 0.000 0.670 10 G HN 0.294 8.584 8.290 -0.000 0.000 0.528 11 I N 0.766 121.560 120.570 0.374 0.000 2.433 11 I HA 0.696 4.867 4.170 0.002 0.000 0.292 11 I C 0.682 176.650 176.117 -0.247 0.000 1.001 11 I CA -1.251 60.105 61.300 0.093 0.000 1.119 11 I CB 1.361 39.373 38.000 0.021 0.000 1.289 11 I HN 0.299 8.509 8.210 -0.000 0.000 0.438 12 A N 6.481 128.736 122.820 -0.942 0.000 2.363 12 A HA 0.734 5.055 4.320 0.002 0.000 0.270 12 A C -0.958 175.778 177.584 -1.413 0.000 1.121 12 A CA 0.075 51.190 52.037 -1.537 0.000 0.800 12 A CB 0.120 17.715 19.000 -2.342 0.000 1.052 12 A HN 0.475 8.625 8.150 -0.000 0.000 0.493 13 F N 1.263 120.635 119.950 -0.964 0.000 2.640 13 F HA 0.576 5.105 4.527 0.002 0.000 0.324 13 F C -2.260 173.212 175.800 -0.548 0.000 1.077 13 F CA -2.272 55.205 58.000 -0.873 0.000 0.965 13 F CB 1.591 40.088 39.000 -0.839 0.000 1.351 13 F HN 0.300 8.600 8.300 -0.000 0.000 0.487 14 P HA 0.063 4.483 4.420 -0.000 0.000 0.271 14 P C 0.476 177.853 177.300 0.128 0.000 1.233 14 P CA 0.205 63.347 63.100 0.069 0.000 0.789 14 P CB 0.624 32.484 31.700 0.266 0.000 0.951 15 T N -0.170 114.486 114.554 0.171 0.000 3.081 15 T HA 0.153 4.504 4.350 0.002 0.000 0.255 15 T C 0.573 175.231 174.700 -0.070 0.000 1.113 15 T CA 0.784 62.923 62.100 0.065 0.000 1.082 15 T CB -0.293 68.624 68.868 0.082 0.000 0.939 15 T HN 0.146 8.386 8.240 -0.000 0.000 0.506 16 M N -0.212 119.330 119.600 -0.097 0.000 2.535 16 M HA 0.489 4.971 4.480 0.002 0.000 0.314 16 M C 1.318 177.576 176.300 -0.070 0.000 1.153 16 M CA -0.066 55.055 55.300 -0.297 0.000 0.924 16 M CB 1.417 33.471 32.600 -0.911 0.000 1.710 16 M HN 0.240 8.530 8.290 -0.000 0.000 0.451 17 G N 1.934 110.601 108.800 -0.223 0.000 2.199 17 G HA2 -0.238 3.723 3.960 0.002 0.000 0.254 17 G HA3 -0.238 3.723 3.960 0.002 0.000 0.254 17 G C -0.460 173.939 174.900 -0.836 0.000 0.982 17 G CA -0.180 44.643 45.100 -0.462 0.000 0.632 17 G HN 0.523 8.813 8.290 -0.000 0.000 0.529 18 F N -0.194 119.603 119.950 -0.254 0.000 2.588 18 F HA 0.875 5.404 4.527 0.002 0.000 0.310 18 F C 0.353 175.957 175.800 -0.327 0.000 1.082 18 F CA -0.119 57.687 58.000 -0.324 0.000 0.929 18 F CB 1.910 40.706 39.000 -0.341 0.000 1.254 18 F HN 0.405 8.705 8.300 -0.000 0.000 0.455 19 R N 0.173 120.536 120.500 -0.228 0.000 2.621 19 R HA 0.634 4.975 4.340 0.002 0.000 0.284 19 R C 0.238 176.291 176.300 -0.413 0.000 0.998 19 R CA -0.316 55.623 56.100 -0.269 0.000 0.895 19 R CB 0.945 31.100 30.300 -0.242 0.000 1.195 19 R HN 0.745 9.015 8.270 -0.000 0.000 0.450 20 S N 0.614 116.087 115.700 -0.379 0.000 2.365 20 S HA -0.243 4.228 4.470 0.002 0.000 0.225 20 S C 1.866 176.160 174.600 -0.509 0.000 1.039 20 S CA 2.003 59.891 58.200 -0.519 0.000 1.033 20 S CB -0.114 62.987 63.200 -0.166 0.000 0.887 20 S HN 0.899 9.209 8.310 -0.000 0.000 0.447 21 E N 1.113 121.136 120.200 -0.294 0.000 2.086 21 E HA -0.180 4.171 4.350 0.002 0.000 0.200 21 E C 1.938 178.341 176.600 -0.328 0.000 1.012 21 E CA 2.155 58.417 56.400 -0.231 0.000 0.812 21 E CB -0.627 28.973 29.700 -0.166 0.000 0.743 21 E HN 0.475 8.835 8.360 -0.000 0.000 0.453 22 T N 0.724 115.017 114.554 -0.434 0.000 2.777 22 T HA -0.045 4.306 4.350 0.002 0.000 0.266 22 T C 1.847 176.191 174.700 -0.595 0.000 1.040 22 T CA 1.213 62.951 62.100 -0.603 0.000 1.141 22 T CB -0.251 68.236 68.868 -0.635 0.000 0.868 22 T HN 0.127 8.367 8.240 -0.000 0.000 0.444 23 L N 0.673 121.489 121.223 -0.679 0.000 2.042 23 L HA -0.128 4.213 4.340 0.002 0.000 0.210 23 L C 2.913 179.492 176.870 -0.485 0.000 1.076 23 L CA 1.427 55.808 54.840 -0.764 0.000 0.749 23 L CB -0.554 40.587 42.059 -1.531 0.000 0.893 23 L HN 0.176 8.406 8.230 -0.000 0.000 0.432 24 R N 0.695 120.938 120.500 -0.429 0.000 2.096 24 R HA -0.183 4.158 4.340 0.002 0.000 0.235 24 R C 2.267 178.573 176.300 0.009 0.000 1.127 24 R CA 1.518 57.638 56.100 0.035 0.000 0.968 24 R CB 0.033 30.386 30.300 0.088 0.000 0.861 24 R HN 0.285 8.555 8.270 -0.000 0.000 0.440 25 K N -0.385 119.952 120.400 -0.104 0.000 2.103 25 K HA -0.041 4.280 4.320 0.002 0.000 0.204 25 K C 1.993 178.640 176.600 0.079 0.000 1.052 25 K CA 1.047 57.322 56.287 -0.020 0.000 0.945 25 K CB 0.016 32.456 32.500 -0.101 0.000 0.722 25 K HN -0.024 8.226 8.250 -0.000 0.000 0.443 26 V N 1.508 121.394 119.914 -0.047 0.000 2.252 26 V HA -0.316 3.805 4.120 0.002 0.000 0.249 26 V C 2.456 178.609 176.094 0.099 0.000 1.056 26 V CA 2.005 64.320 62.300 0.026 0.000 1.022 26 V CB -0.431 31.313 31.823 -0.131 0.000 0.641 26 V HN 0.346 8.536 8.190 -0.000 0.000 0.445 27 R N -0.095 120.471 120.500 0.109 0.000 2.062 27 R HA -0.157 4.184 4.340 0.002 0.000 0.231 27 R C 1.889 178.309 176.300 0.201 0.000 1.136 27 R CA 2.135 58.346 56.100 0.186 0.000 0.948 27 R CB -0.303 30.143 30.300 0.243 0.000 0.845 27 R HN 0.535 8.805 8.270 -0.000 0.000 0.430 28 D N -0.694 119.809 120.400 0.172 0.000 2.346 28 D HA -0.026 4.615 4.640 0.002 0.000 0.206 28 D C 0.982 177.374 176.300 0.153 0.000 1.001 28 D CA 0.842 54.936 54.000 0.156 0.000 0.871 28 D CB 0.451 41.325 40.800 0.123 0.000 0.943 28 D HN 0.440 8.810 8.370 -0.000 0.000 0.518 29 E N -0.743 119.562 120.200 0.175 0.000 2.414 29 E HA 0.088 4.439 4.350 0.002 0.000 0.208 29 E C 0.114 176.830 176.600 0.194 0.000 0.820 29 E CA -0.470 56.028 56.400 0.164 0.000 1.143 29 E CB 0.591 30.376 29.700 0.142 0.000 1.150 29 E HN -0.008 8.352 8.360 -0.000 0.000 0.540 30 F N 2.622 122.643 119.950 0.117 0.000 2.612 30 F HA -0.048 4.480 4.527 0.002 0.000 0.389 30 F C -0.060 175.775 175.800 0.057 0.000 1.055 30 F CA 0.046 58.097 58.000 0.086 0.000 1.232 30 F CB 0.510 39.562 39.000 0.086 0.000 1.044 30 F HN -0.327 7.973 8.300 -0.000 0.000 0.560 31 V N 7.957 127.588 119.914 -0.472 0.000 2.461 31 V HA 0.172 4.293 4.120 0.002 0.000 0.275 31 V C 0.386 176.359 176.094 -0.202 0.000 1.047 31 V CA -0.688 61.465 62.300 -0.245 0.000 0.955 31 V CB 0.890 32.574 31.823 -0.232 0.000 0.988 31 V HN 0.424 8.614 8.190 -0.000 0.000 0.471 32 I N 5.914 126.551 120.570 0.113 0.000 2.385 32 I HA 0.494 4.665 4.170 0.002 0.000 0.294 32 I C 0.423 176.647 176.117 0.178 0.000 0.988 32 I CA -0.280 61.188 61.300 0.279 0.000 1.265 32 I CB 1.561 39.824 38.000 0.437 0.000 1.388 32 I HN 0.582 8.792 8.210 -0.000 0.000 0.480 33 R N 4.350 124.964 120.500 0.191 0.000 2.589 33 R HA 0.286 4.627 4.340 0.002 0.000 0.293 33 R C 0.159 176.538 176.300 0.131 0.000 0.963 33 R CA -0.850 55.322 56.100 0.121 0.000 0.905 33 R CB 1.514 31.865 30.300 0.085 0.000 1.144 33 R HN 0.443 8.713 8.270 -0.000 0.000 0.459 34 D N 1.776 122.225 120.400 0.083 0.000 2.271 34 D HA -0.150 4.491 4.640 0.002 0.000 0.207 34 D C 0.573 176.906 176.300 0.056 0.000 0.983 34 D CA 1.543 55.582 54.000 0.066 0.000 0.878 34 D CB 0.277 41.097 40.800 0.034 0.000 0.920 34 D HN 0.536 8.906 8.370 -0.000 0.000 0.479 35 E N 0.491 120.725 120.200 0.058 0.000 2.479 35 E HA 0.039 4.390 4.350 0.002 0.000 0.193 35 E C -0.125 176.508 176.600 0.055 0.000 1.049 35 E CA -0.013 56.411 56.400 0.040 0.000 0.870 35 E CB 0.184 29.903 29.700 0.032 0.000 0.944 35 E HN 0.198 8.558 8.360 -0.000 0.000 0.492 36 D N 0.250 120.711 120.400 0.102 0.000 2.372 36 D HA 0.098 4.739 4.640 0.002 0.000 0.243 36 D C -0.425 175.870 176.300 -0.010 0.000 1.121 36 D CA 0.033 54.097 54.000 0.106 0.000 0.898 36 D CB 1.522 42.470 40.800 0.246 0.000 1.202 36 D HN -0.205 8.165 8.370 -0.000 0.000 0.428 37 V N 3.425 123.276 119.914 -0.107 0.000 2.407 37 V HA 0.366 4.487 4.120 0.002 0.000 0.291 37 V C 0.139 176.039 176.094 -0.323 0.000 1.018 37 V CA -0.637 61.583 62.300 -0.134 0.000 0.842 37 V CB 1.182 32.959 31.823 -0.076 0.000 0.996 37 V HN 0.336 8.526 8.190 -0.000 0.000 0.426 38 I N 5.670 126.034 120.570 -0.343 0.000 2.433 38 I HA 0.511 4.682 4.170 0.002 0.000 0.292 38 I C -0.467 175.437 176.117 -0.354 0.000 1.001 38 I CA -0.572 60.425 61.300 -0.506 0.000 1.119 38 I CB 2.192 39.889 38.000 -0.505 0.000 1.289 38 I HN 0.403 8.613 8.210 -0.000 0.000 0.438 39 I N 6.844 127.222 120.570 -0.319 0.000 2.304 39 I HA 0.325 4.496 4.170 0.002 0.000 0.291 39 I C -0.515 175.391 176.117 -0.352 0.000 1.018 39 I CA -0.325 60.794 61.300 -0.301 0.000 1.260 39 I CB 0.824 38.685 38.000 -0.230 0.000 1.390 39 I HN 0.291 8.501 8.210 -0.000 0.000 0.475 40 L N 6.984 127.923 121.223 -0.473 0.000 2.322 40 L HA 0.671 5.012 4.340 0.002 0.000 0.281 40 L C -0.162 176.306 176.870 -0.670 0.000 1.014 40 L CA -0.368 54.135 54.840 -0.563 0.000 0.815 40 L CB 1.910 43.488 42.059 -0.802 0.000 1.247 40 L HN 0.632 8.862 8.230 -0.000 0.000 0.421 41 T N -1.356 112.933 114.554 -0.443 0.000 2.840 41 T HA 0.315 4.666 4.350 0.002 0.000 0.317 41 T C -1.171 173.438 174.700 -0.151 0.000 1.401 41 T CA -0.752 61.120 62.100 -0.379 0.000 1.028 41 T CB 1.405 70.163 68.868 -0.183 0.000 1.317 41 T HN 0.312 8.552 8.240 -0.000 0.000 0.495 42 Y N 2.594 122.663 120.300 -0.385 0.000 2.304 42 Y HA 0.502 5.053 4.550 0.002 0.000 0.328 42 Y C -2.524 173.228 175.900 -0.247 0.000 1.123 42 Y CA -1.943 55.852 58.100 -0.509 0.000 1.218 42 Y CB 0.898 39.155 38.460 -0.337 0.000 1.207 42 Y HN 0.482 8.762 8.280 -0.000 0.000 0.495 43 P HA -0.104 4.316 4.420 -0.000 0.000 0.263 43 P C -0.874 176.336 177.300 -0.151 0.000 1.168 43 P CA 0.865 63.544 63.100 -0.701 0.000 0.759 43 P CB 0.305 31.660 31.700 -0.576 0.000 0.782 44 K N -0.009 120.297 120.400 -0.157 0.000 3.291 44 K HA -0.114 4.207 4.320 0.002 0.000 0.290 44 K C 0.355 176.960 176.600 0.008 0.000 1.235 44 K CA 0.739 56.978 56.287 -0.079 0.000 0.848 44 K CB -2.904 29.607 32.500 0.020 0.000 1.295 44 K HN 0.418 8.668 8.250 -0.000 0.000 0.497 45 S N -0.693 115.036 115.700 0.048 0.000 2.540 45 S HA 0.336 4.807 4.470 0.002 0.000 0.218 45 S C 1.156 175.878 174.600 0.204 0.000 0.977 45 S CA 0.385 58.650 58.200 0.109 0.000 0.918 45 S CB 1.035 64.322 63.200 0.146 0.000 0.806 45 S HN 0.772 9.082 8.310 -0.000 0.000 0.496 46 G N 1.375 110.292 108.800 0.194 0.000 2.155 46 G HA2 -0.210 3.751 3.960 0.002 0.000 0.135 46 G HA3 -0.210 3.751 3.960 0.002 0.000 0.135 46 G C 0.574 175.599 174.900 0.207 0.000 1.023 46 G CA 0.205 45.529 45.100 0.373 0.000 0.688 46 G HN 0.366 8.656 8.290 -0.000 0.000 0.499 47 T N 0.821 115.421 114.554 0.076 0.000 2.622 47 T HA -0.169 4.182 4.350 0.002 0.000 0.266 47 T C 2.248 176.955 174.700 0.011 0.000 1.047 47 T CA 1.542 63.638 62.100 -0.006 0.000 1.159 47 T CB -0.229 68.619 68.868 -0.033 0.000 0.863 47 T HN 0.418 8.658 8.240 -0.000 0.000 0.422 48 N N -0.126 118.592 118.700 0.030 0.000 2.223 48 N HA -0.115 4.626 4.740 0.002 0.000 0.185 48 N C 1.585 177.179 175.510 0.140 0.000 1.016 48 N CA 1.021 54.099 53.050 0.046 0.000 0.863 48 N CB -0.300 38.198 38.487 0.018 0.000 0.983 48 N HN 0.476 8.856 8.380 -0.000 0.000 0.429 49 W N 2.110 123.393 121.300 -0.029 0.000 2.355 49 W HA -0.054 4.607 4.660 0.002 0.000 0.309 49 W C 2.071 178.563 176.519 -0.044 0.000 1.206 49 W CA 0.487 57.819 57.345 -0.022 0.000 1.284 49 W CB -0.863 28.603 29.460 0.010 0.000 1.145 49 W HN 0.009 8.189 8.180 -0.000 0.000 0.502 50 L N 1.493 122.729 121.223 0.021 0.000 2.093 50 L HA 0.019 4.360 4.340 0.002 0.000 0.208 50 L C 2.405 179.221 176.870 -0.090 0.000 1.085 50 L CA 2.648 57.393 54.840 -0.158 0.000 0.755 50 L CB -1.416 40.540 42.059 -0.172 0.000 0.904 50 L HN 0.001 8.231 8.230 -0.000 0.000 0.435 51 A N -0.756 122.039 122.820 -0.041 0.000 1.873 51 A HA -0.231 4.090 4.320 0.002 0.000 0.215 51 A C 2.249 179.814 177.584 -0.032 0.000 1.186 51 A CA 1.592 53.604 52.037 -0.041 0.000 0.616 51 A CB -0.680 18.297 19.000 -0.038 0.000 0.823 51 A HN 0.506 8.656 8.150 -0.000 0.000 0.442 52 E N 0.277 120.476 120.200 -0.003 0.000 2.058 52 E HA -0.180 4.171 4.350 0.002 0.000 0.194 52 E C 1.726 178.333 176.600 0.012 0.000 0.997 52 E CA 1.684 58.083 56.400 -0.002 0.000 0.801 52 E CB -0.389 29.349 29.700 0.064 0.000 0.746 52 E HN 0.632 8.992 8.360 -0.000 0.000 0.450 53 I N 0.195 120.768 120.570 0.005 0.000 2.208 53 I HA -0.303 3.868 4.170 0.002 0.000 0.245 53 I C 2.295 178.412 176.117 -0.000 0.000 1.097 53 I CA 1.020 62.307 61.300 -0.022 0.000 1.363 53 I CB -0.291 37.627 38.000 -0.135 0.000 1.051 53 I HN 0.192 8.402 8.210 -0.000 0.000 0.413 54 L N -0.375 120.843 121.223 -0.009 0.000 2.083 54 L HA -0.244 4.097 4.340 0.002 0.000 0.209 54 L C 2.712 179.649 176.870 0.111 0.000 1.083 54 L CA 1.136 55.993 54.840 0.029 0.000 0.752 54 L CB -0.627 41.431 42.059 -0.002 0.000 0.899 54 L HN 0.412 8.642 8.230 -0.000 0.000 0.433 55 C N -0.218 119.144 119.300 0.104 0.000 2.446 55 C HA -0.128 4.333 4.460 0.002 0.000 0.277 55 C C 2.735 177.915 174.990 0.317 0.000 1.275 55 C CA 0.392 59.550 59.018 0.233 0.000 1.727 55 C CB -0.726 26.963 27.740 -0.085 0.000 2.010 55 C HN 0.432 8.662 8.230 -0.000 0.000 0.486 56 L N -0.129 121.188 121.223 0.158 0.000 2.131 56 L HA -0.171 4.170 4.340 0.002 0.000 0.210 56 L C 2.593 179.545 176.870 0.136 0.000 1.092 56 L CA 1.354 56.279 54.840 0.141 0.000 0.759 56 L CB -0.412 41.694 42.059 0.078 0.000 0.903 56 L HN 0.408 8.638 8.230 -0.000 0.000 0.435 57 M N -1.589 118.087 119.600 0.128 0.000 2.319 57 M HA -0.197 4.284 4.480 0.002 0.000 0.265 57 M C 2.205 178.587 176.300 0.137 0.000 1.068 57 M CA 1.242 56.603 55.300 0.101 0.000 1.118 57 M CB -0.338 32.308 32.600 0.077 0.000 1.395 57 M HN 0.251 8.541 8.290 -0.000 0.000 0.435 58 H N 0.095 119.225 119.070 0.101 0.000 2.363 58 H HA -0.035 4.522 4.556 0.002 0.000 0.301 58 H C 1.952 177.309 175.328 0.048 0.000 1.074 58 H CA 1.889 57.982 56.048 0.075 0.000 1.354 58 H CB 0.120 29.958 29.762 0.128 0.000 1.397 58 H HN 0.307 8.587 8.280 -0.000 0.000 0.516 59 S N 0.049 115.812 115.700 0.105 0.000 2.671 59 S HA 0.095 4.566 4.470 0.002 0.000 0.220 59 S C 0.535 175.141 174.600 0.009 0.000 0.951 59 S CA -0.230 57.985 58.200 0.024 0.000 0.932 59 S CB -0.149 63.180 63.200 0.215 0.000 0.777 59 S HN 0.333 8.643 8.310 -0.000 0.000 0.508 60 K N 0.413 120.815 120.400 0.003 0.000 2.960 60 K HA -0.242 4.079 4.320 0.002 0.000 0.259 60 K C 1.123 177.736 176.600 0.021 0.000 1.025 60 K CA 0.910 57.199 56.287 0.003 0.000 0.756 60 K CB -2.214 30.270 32.500 -0.026 0.000 1.221 60 K HN 1.109 9.359 8.250 -0.000 0.000 0.483 61 G N -0.214 108.614 108.800 0.046 0.000 2.313 61 G HA2 -0.296 3.665 3.960 0.002 0.000 0.215 61 G HA3 -0.296 3.665 3.960 0.002 0.000 0.215 61 G C -0.050 174.881 174.900 0.052 0.000 1.023 61 G CA 0.188 45.315 45.100 0.045 0.000 0.626 61 G HN 0.459 8.749 8.290 -0.000 0.000 0.503 62 D N 1.025 121.456 120.400 0.053 0.000 2.488 62 D HA 0.555 5.196 4.640 0.002 0.000 0.238 62 D C 1.276 177.630 176.300 0.090 0.000 1.138 62 D CA 1.125 55.160 54.000 0.059 0.000 0.873 62 D CB 0.991 41.821 40.800 0.051 0.000 1.183 62 D HN 0.680 9.050 8.370 -0.000 0.000 0.458 63 A N 3.876 126.738 122.820 0.070 0.000 2.348 63 A HA 0.061 4.382 4.320 0.002 0.000 0.224 63 A C 1.827 179.455 177.584 0.073 0.000 1.227 63 A CA -0.030 52.045 52.037 0.063 0.000 0.885 63 A CB -0.024 18.993 19.000 0.030 0.000 0.933 63 A HN 0.593 8.743 8.150 -0.000 0.000 0.506 64 K N -0.902 119.555 120.400 0.095 0.000 2.020 64 K HA -0.240 4.081 4.320 0.002 0.000 0.212 64 K C 1.719 178.413 176.600 0.156 0.000 1.050 64 K CA 1.898 58.245 56.287 0.101 0.000 0.929 64 K CB -0.277 32.280 32.500 0.095 0.000 0.714 64 K HN 0.704 8.954 8.250 -0.000 0.000 0.443 65 W N 2.535 123.835 121.300 0.001 0.000 2.355 65 W HA -0.175 4.486 4.660 0.002 0.000 0.309 65 W C 1.687 178.201 176.519 -0.008 0.000 1.206 65 W CA 1.585 58.931 57.345 0.002 0.000 1.284 65 W CB -0.399 29.074 29.460 0.022 0.000 1.145 65 W HN 0.114 8.294 8.180 -0.000 0.000 0.502 66 I N -0.739 119.721 120.570 -0.184 0.000 2.916 66 I HA -0.134 4.037 4.170 0.002 0.000 0.267 66 I C 1.558 177.545 176.117 -0.217 0.000 1.263 66 I CA 1.415 62.489 61.300 -0.377 0.000 1.471 66 I CB -0.733 37.118 38.000 -0.247 0.000 1.089 66 I HN 0.127 8.337 8.210 -0.000 0.000 0.468 67 Q N 1.095 120.833 119.800 -0.103 0.000 2.319 67 Q HA 0.096 4.437 4.340 0.002 0.000 0.209 67 Q C 1.842 177.814 176.000 -0.047 0.000 0.884 67 Q CA 0.811 56.575 55.803 -0.064 0.000 0.938 67 Q CB 0.540 29.262 28.738 -0.026 0.000 1.098 67 Q HN 0.742 9.012 8.270 -0.000 0.000 0.517 68 S N -1.449 114.223 115.700 -0.046 0.000 2.539 68 S HA 0.173 4.644 4.470 0.002 0.000 0.226 68 S C 0.624 175.197 174.600 -0.045 0.000 1.054 68 S CA -0.363 57.830 58.200 -0.012 0.000 0.910 68 S CB 0.540 63.767 63.200 0.045 0.000 0.818 68 S HN -0.036 8.274 8.310 -0.000 0.000 0.490 69 V N 5.167 125.000 119.914 -0.135 0.000 2.417 69 V HA 0.488 4.609 4.120 0.002 0.000 0.291 69 V C -2.437 173.438 176.094 -0.364 0.000 1.024 69 V CA -2.299 59.874 62.300 -0.212 0.000 0.861 69 V CB 1.670 33.387 31.823 -0.177 0.000 0.985 69 V HN 0.231 8.421 8.190 -0.000 0.000 0.436 70 P HA 0.091 4.511 4.420 -0.000 0.000 0.268 70 P C 1.093 177.936 177.300 -0.762 0.000 1.208 70 P CA 0.137 62.841 63.100 -0.660 0.000 0.777 70 P CB 1.535 32.511 31.700 -1.208 0.000 0.875 71 I N 2.326 122.560 120.570 -0.560 0.000 2.226 71 I HA -0.187 3.984 4.170 0.002 0.000 0.245 71 I C 1.935 177.875 176.117 -0.295 0.000 1.100 71 I CA 1.086 62.167 61.300 -0.365 0.000 1.374 71 I CB -0.384 37.523 38.000 -0.156 0.000 1.057 71 I HN 0.452 8.662 8.210 -0.000 0.000 0.413 72 W N 0.797 122.031 121.300 -0.111 0.000 2.538 72 W HA -0.161 4.500 4.660 0.002 0.000 0.254 72 W C 1.694 178.200 176.519 -0.021 0.000 1.249 72 W CA 0.866 58.183 57.345 -0.047 0.000 1.253 72 W CB -1.107 28.321 29.460 -0.053 0.000 1.130 72 W HN 0.371 8.551 8.180 -0.000 0.000 0.618 73 E N 1.251 121.255 120.200 -0.326 0.000 2.216 73 E HA -0.040 4.311 4.350 0.002 0.000 0.192 73 E C 2.254 178.825 176.600 -0.049 0.000 0.973 73 E CA 0.240 56.551 56.400 -0.149 0.000 0.851 73 E CB -0.034 29.427 29.700 -0.399 0.000 0.804 73 E HN 0.115 8.475 8.360 -0.000 0.000 0.477 74 R N -0.163 120.247 120.500 -0.150 0.000 2.148 74 R HA 0.081 4.422 4.340 0.002 0.000 0.223 74 R C 0.616 176.939 176.300 0.038 0.000 1.088 74 R CA 0.912 56.970 56.100 -0.070 0.000 0.985 74 R CB 0.231 30.292 30.300 -0.398 0.000 0.880 74 R HN -0.090 8.180 8.270 -0.000 0.000 0.451 75 S N 0.741 116.464 115.700 0.039 0.000 2.312 75 S HA 0.319 4.790 4.470 0.002 0.000 0.173 75 S C -2.688 172.024 174.600 0.186 0.000 1.488 75 S CA -1.643 56.624 58.200 0.110 0.000 1.239 75 S CB 0.846 64.073 63.200 0.044 0.000 1.215 75 S HN -0.155 8.155 8.310 -0.000 0.000 0.438 76 P HA 0.083 4.503 4.420 -0.000 0.000 0.269 76 P C -0.957 176.563 177.300 0.367 0.000 1.217 76 P CA -0.197 63.080 63.100 0.295 0.000 0.783 76 P CB 0.328 32.160 31.700 0.221 0.000 0.898 77 W N 4.895 126.284 121.300 0.148 0.000 2.292 77 W HA 0.177 4.838 4.660 0.002 0.000 0.352 77 W C 0.977 177.558 176.519 0.102 0.000 0.962 77 W CA -0.699 56.735 57.345 0.147 0.000 1.496 77 W CB -0.295 29.280 29.460 0.192 0.000 1.381 77 W HN 0.130 8.310 8.180 -0.000 0.000 0.363 78 V N 5.762 125.871 119.914 0.324 0.000 2.363 78 V HA -0.307 3.814 4.120 0.002 0.000 0.254 78 V C 2.310 178.372 176.094 -0.054 0.000 1.074 78 V CA 2.964 65.243 62.300 -0.035 0.000 1.069 78 V CB -0.144 31.490 31.823 -0.315 0.000 0.659 78 V HN 0.624 8.814 8.190 -0.000 0.000 0.455 79 E N 0.711 120.962 120.200 0.085 0.000 2.435 79 E HA -0.017 4.334 4.350 0.002 0.000 0.195 79 E C 1.148 177.682 176.600 -0.110 0.000 1.029 79 E CA 0.676 57.093 56.400 0.027 0.000 0.865 79 E CB -0.392 29.458 29.700 0.250 0.000 0.833 79 E HN 0.734 9.094 8.360 -0.000 0.000 0.510 80 S N 0.699 116.177 115.700 -0.370 0.000 2.603 80 S HA 0.095 4.566 4.470 0.002 0.000 0.268 80 S C 0.992 175.295 174.600 -0.495 0.000 1.317 80 S CA -0.674 56.983 58.200 -0.905 0.000 1.012 80 S CB 1.796 64.347 63.200 -1.081 0.000 0.926 80 S HN -0.049 8.261 8.310 -0.000 0.000 0.539 81 E N 1.277 121.142 120.200 -0.558 0.000 2.049 81 E HA -0.153 4.198 4.350 0.002 0.000 0.198 81 E C 1.878 178.393 176.600 -0.142 0.000 1.007 81 E CA 1.649 57.877 56.400 -0.287 0.000 0.809 81 E CB -0.509 29.015 29.700 -0.294 0.000 0.749 81 E HN 0.800 9.160 8.360 -0.000 0.000 0.450 82 I N 0.520 120.978 120.570 -0.187 0.000 2.208 82 I HA -0.218 3.953 4.170 0.002 0.000 0.245 82 I C 2.503 178.614 176.117 -0.009 0.000 1.097 82 I CA 1.388 62.636 61.300 -0.087 0.000 1.363 82 I CB -0.549 37.377 38.000 -0.123 0.000 1.051 82 I HN 0.128 8.338 8.210 -0.000 0.000 0.413 83 G N -0.206 108.585 108.800 -0.014 0.000 2.404 83 G HA2 -0.320 3.641 3.960 0.002 0.000 0.215 83 G HA3 -0.320 3.641 3.960 0.002 0.000 0.215 83 G C 1.620 176.529 174.900 0.015 0.000 1.174 83 G CA 0.706 45.834 45.100 0.046 0.000 0.780 83 G HN 0.368 8.658 8.290 -0.000 0.000 0.537 84 Y N 2.015 122.241 120.300 -0.122 0.000 2.097 84 Y HA -0.196 4.355 4.550 0.002 0.000 0.282 84 Y C 3.086 178.991 175.900 0.008 0.000 1.152 84 Y CA 2.468 60.515 58.100 -0.088 0.000 1.136 84 Y CB -0.617 37.769 38.460 -0.123 0.000 0.975 84 Y HN 0.195 8.475 8.280 -0.000 0.000 0.498 85 T N 0.931 115.500 114.554 0.025 0.000 2.684 85 T HA -0.249 4.102 4.350 0.002 0.000 0.267 85 T C 2.082 176.734 174.700 -0.081 0.000 1.036 85 T CA 1.703 63.773 62.100 -0.049 0.000 1.148 85 T CB -0.913 67.972 68.868 0.028 0.000 0.863 85 T HN 0.527 8.767 8.240 -0.000 0.000 0.436 86 A N 1.557 124.361 122.820 -0.026 0.000 1.845 86 A HA -0.015 4.306 4.320 0.002 0.000 0.215 86 A C 2.183 179.750 177.584 -0.029 0.000 1.195 86 A CA 1.227 53.263 52.037 -0.002 0.000 0.616 86 A CB -0.892 18.141 19.000 0.055 0.000 0.832 86 A HN 0.329 8.479 8.150 -0.000 0.000 0.443 87 L N 0.558 121.760 121.223 -0.034 0.000 2.079 87 L HA -0.126 4.215 4.340 0.002 0.000 0.210 87 L C 2.599 179.416 176.870 -0.088 0.000 1.081 87 L CA 2.013 56.834 54.840 -0.032 0.000 0.752 87 L CB -1.467 40.560 42.059 -0.054 0.000 0.896 87 L HN 0.327 8.557 8.230 -0.000 0.000 0.433 88 S N -0.623 114.973 115.700 -0.174 0.000 2.488 88 S HA -0.142 4.329 4.470 0.002 0.000 0.246 88 S C 1.536 176.007 174.600 -0.216 0.000 0.992 88 S CA 1.059 59.071 58.200 -0.314 0.000 0.963 88 S CB -0.049 62.887 63.200 -0.440 0.000 0.754 88 S HN 0.507 8.817 8.310 -0.000 0.000 0.519 89 E N -0.425 119.695 120.200 -0.134 0.000 2.467 89 E HA 0.127 4.478 4.350 0.002 0.000 0.213 89 E C 0.437 177.006 176.600 -0.051 0.000 0.823 89 E CA 0.172 56.519 56.400 -0.088 0.000 1.233 89 E CB -0.404 29.258 29.700 -0.063 0.000 1.233 89 E HN 0.237 8.597 8.360 -0.000 0.000 0.585 90 T N 2.537 117.073 114.554 -0.030 0.000 2.923 90 T HA 0.135 4.486 4.350 0.002 0.000 0.320 90 T C 0.387 175.088 174.700 0.003 0.000 1.074 90 T CA 0.974 63.077 62.100 0.004 0.000 1.131 90 T CB 0.334 69.224 68.868 0.038 0.000 1.058 90 T HN 0.329 8.569 8.240 -0.000 0.000 0.535 91 E N 2.010 122.217 120.200 0.012 0.000 2.313 91 E HA 0.458 4.809 4.350 0.002 0.000 0.272 91 E C 0.325 176.938 176.600 0.022 0.000 1.038 91 E CA -0.785 55.619 56.400 0.008 0.000 0.863 91 E CB 0.570 30.272 29.700 0.002 0.000 1.060 91 E HN 0.626 8.986 8.360 -0.000 0.000 0.402 92 S N 2.660 118.373 115.700 0.021 0.000 2.572 92 S HA 0.389 4.860 4.470 0.002 0.000 0.279 92 S C -1.674 172.937 174.600 0.017 0.000 1.341 92 S CA -0.576 57.643 58.200 0.032 0.000 1.043 92 S CB 0.445 63.662 63.200 0.028 0.000 0.887 92 S HN 0.725 9.035 8.310 -0.000 0.000 0.516 93 P HA 0.348 4.768 4.420 -0.000 0.000 0.290 93 P C -0.930 176.400 177.300 0.051 0.000 1.276 93 P CA -0.561 62.557 63.100 0.030 0.000 0.808 93 P CB 0.748 32.454 31.700 0.010 0.000 0.966 94 R N 1.550 122.121 120.500 0.119 0.000 2.457 94 R HA 0.590 4.931 4.340 0.002 0.000 0.284 94 R C -0.367 176.052 176.300 0.199 0.000 1.024 94 R CA -0.939 55.286 56.100 0.209 0.000 1.025 94 R CB 0.836 31.352 30.300 0.359 0.000 1.063 94 R HN 0.396 8.666 8.270 -0.000 0.000 0.493 95 L N 4.193 125.545 121.223 0.215 0.000 2.376 95 L HA 0.557 4.898 4.340 0.002 0.000 0.275 95 L C -1.451 175.568 176.870 0.249 0.000 0.987 95 L CA -0.320 54.583 54.840 0.105 0.000 0.828 95 L CB 1.050 43.144 42.059 0.058 0.000 1.249 95 L HN 0.650 8.880 8.230 -0.000 0.000 0.409 96 F N 1.724 121.711 119.950 0.061 0.000 2.745 96 F HA 0.933 5.461 4.527 0.002 0.000 0.316 96 F C -0.652 175.164 175.800 0.026 0.000 1.155 96 F CA -0.410 57.629 58.000 0.065 0.000 0.937 96 F CB 1.106 40.167 39.000 0.102 0.000 1.361 96 F HN 0.518 8.818 8.300 -0.000 0.000 0.472 97 S N 0.298 116.144 115.700 0.243 0.000 2.671 97 S HA 0.876 5.347 4.470 0.002 0.000 0.299 97 S C -0.999 173.678 174.600 0.129 0.000 1.116 97 S CA -0.473 57.737 58.200 0.018 0.000 0.912 97 S CB 1.609 64.717 63.200 -0.154 0.000 1.130 97 S HN 1.254 9.564 8.310 -0.000 0.000 0.501 98 S N -0.960 114.700 115.700 -0.066 0.000 2.547 98 S HA 0.509 4.981 4.470 0.002 0.000 0.270 98 S C -1.249 173.246 174.600 -0.175 0.000 1.150 98 S CA -0.615 57.654 58.200 0.115 0.000 0.850 98 S CB 1.062 64.552 63.200 0.483 0.000 1.118 98 S HN 0.820 9.130 8.310 -0.000 0.000 0.461 99 H N 2.329 121.528 119.070 0.215 0.000 2.893 99 H HA 0.367 4.924 4.556 0.002 0.000 0.270 99 H C -0.071 175.447 175.328 0.316 0.000 1.095 99 H CA -0.049 55.908 56.048 -0.151 0.000 1.186 99 H CB 0.201 29.310 29.762 -1.089 0.000 1.562 99 H HN 0.358 8.638 8.280 -0.000 0.000 0.536 100 L N 4.533 126.209 121.223 0.755 0.000 2.499 100 L HA 0.064 4.405 4.340 0.002 0.000 0.273 100 L C -1.780 175.580 176.870 0.816 0.000 1.195 100 L CA -1.356 54.012 54.840 0.880 0.000 0.882 100 L CB 0.243 42.816 42.059 0.856 0.000 1.133 100 L HN -0.051 8.179 8.230 -0.000 0.000 0.483 101 P HA 0.017 4.437 4.420 -0.000 0.000 0.274 101 P C 1.031 178.370 177.300 0.065 0.000 1.246 101 P CA -0.337 62.873 63.100 0.184 0.000 0.795 101 P CB 1.253 33.066 31.700 0.188 0.000 1.006 102 I N 0.701 120.874 120.570 -0.662 0.000 2.300 102 I HA -0.294 3.877 4.170 0.002 0.000 0.252 102 I C 2.034 178.049 176.117 -0.170 0.000 1.119 102 I CA 1.621 62.391 61.300 -0.883 0.000 1.384 102 I CB -0.181 37.062 38.000 -1.263 0.000 1.062 102 I HN 0.376 8.586 8.210 -0.000 0.000 0.426 103 Q N 0.474 120.228 119.800 -0.078 0.000 2.482 103 Q HA -0.067 4.274 4.340 0.002 0.000 0.209 103 Q C 1.252 177.346 176.000 0.157 0.000 0.961 103 Q CA 1.020 56.835 55.803 0.019 0.000 0.945 103 Q CB 0.032 28.755 28.738 -0.025 0.000 1.012 103 Q HN 0.594 8.864 8.270 -0.000 0.000 0.515 104 L N -0.733 120.663 121.223 0.288 0.000 2.966 104 L HA 0.377 4.718 4.340 0.002 0.000 0.262 104 L C 0.126 177.265 176.870 0.448 0.000 1.165 104 L CA -0.454 54.615 54.840 0.381 0.000 0.978 104 L CB 0.348 42.690 42.059 0.471 0.000 1.337 104 L HN -0.007 8.223 8.230 -0.000 0.000 0.563 105 F N 2.894 123.063 119.950 0.364 0.000 2.450 105 F HA 0.272 4.800 4.527 0.002 0.000 0.339 105 F C -1.756 174.303 175.800 0.431 0.000 1.146 105 F CA -2.228 56.032 58.000 0.432 0.000 1.267 105 F CB 0.501 39.837 39.000 0.561 0.000 1.178 105 F HN -0.239 8.061 8.300 -0.000 0.000 0.585 106 P HA -0.044 4.376 4.420 -0.000 0.000 0.256 106 P C -0.198 177.360 177.300 0.430 0.000 1.173 106 P CA 0.651 63.808 63.100 0.096 0.000 0.768 106 P CB 0.330 32.012 31.700 -0.031 0.000 0.758 107 K N 1.676 122.345 120.400 0.448 0.000 2.280 107 K HA -0.128 4.193 4.320 0.002 0.000 0.202 107 K C 2.023 178.931 176.600 0.514 0.000 1.047 107 K CA 1.239 57.870 56.287 0.574 0.000 0.942 107 K CB -0.220 32.488 32.500 0.346 0.000 0.739 107 K HN 0.365 8.615 8.250 -0.000 0.000 0.457 108 S N 0.746 116.663 115.700 0.362 0.000 2.419 108 S HA -0.173 4.298 4.470 0.002 0.000 0.233 108 S C 1.681 176.444 174.600 0.271 0.000 1.016 108 S CA 0.792 59.156 58.200 0.274 0.000 0.974 108 S CB -0.315 63.019 63.200 0.224 0.000 0.786 108 S HN 0.396 8.706 8.310 -0.000 0.000 0.492 109 F N 1.649 121.707 119.950 0.179 0.000 2.161 109 F HA -0.035 4.493 4.527 0.002 0.000 0.300 109 F C 1.343 177.101 175.800 -0.070 0.000 1.089 109 F CA 1.385 59.426 58.000 0.069 0.000 1.282 109 F CB -0.713 38.364 39.000 0.129 0.000 1.010 109 F HN 0.284 8.584 8.300 -0.000 0.000 0.485 110 F N 0.458 120.416 119.950 0.013 0.000 2.408 110 F HA -0.102 4.426 4.527 0.002 0.000 0.300 110 F C 2.324 178.031 175.800 -0.155 0.000 1.090 110 F CA 1.055 58.960 58.000 -0.158 0.000 1.427 110 F CB -0.827 38.219 39.000 0.078 0.000 1.070 110 F HN 0.119 8.419 8.300 -0.000 0.000 0.549 111 S N -1.686 114.029 115.700 0.024 0.000 2.575 111 S HA 0.237 4.708 4.470 0.002 0.000 0.237 111 S C 0.464 175.046 174.600 -0.029 0.000 0.975 111 S CA -0.170 58.041 58.200 0.017 0.000 0.960 111 S CB -0.574 62.666 63.200 0.066 0.000 0.822 111 S HN 0.168 8.478 8.310 -0.000 0.000 0.472 112 S N 1.054 116.686 115.700 -0.115 0.000 2.766 112 S HA 0.580 5.051 4.470 0.002 0.000 0.307 112 S C 0.014 174.556 174.600 -0.097 0.000 1.121 112 S CA -0.901 57.260 58.200 -0.064 0.000 0.980 112 S CB 1.463 64.671 63.200 0.013 0.000 1.159 112 S HN 0.202 8.512 8.310 -0.000 0.000 0.546 113 K N 0.149 120.540 120.400 -0.014 0.000 2.414 113 K HA 0.395 4.716 4.320 0.002 0.000 0.204 113 K C 0.319 176.955 176.600 0.060 0.000 1.026 113 K CA -0.117 56.172 56.287 0.005 0.000 1.108 113 K CB 0.621 33.125 32.500 0.007 0.000 0.855 113 K HN 0.726 8.976 8.250 -0.000 0.000 0.517 114 A N 2.135 125.030 122.820 0.126 0.000 2.565 114 A HA -0.010 4.311 4.320 0.002 0.000 0.237 114 A C -0.212 177.526 177.584 0.258 0.000 1.053 114 A CA 0.425 52.587 52.037 0.208 0.000 0.755 114 A CB 0.086 19.294 19.000 0.346 0.000 0.980 114 A HN 0.183 8.333 8.150 -0.000 0.000 0.506 115 K N 1.216 121.691 120.400 0.125 0.000 2.234 115 K HA 0.453 4.774 4.320 0.002 0.000 0.282 115 K C -0.388 176.308 176.600 0.160 0.000 1.039 115 K CA -0.400 55.968 56.287 0.135 0.000 0.928 115 K CB 1.311 33.718 32.500 -0.154 0.000 1.039 115 K HN 0.609 8.859 8.250 -0.000 0.000 0.470 116 V N 0.926 120.957 119.914 0.195 0.000 2.604 116 V HA 0.582 4.703 4.120 0.002 0.000 0.305 116 V C -0.449 175.463 176.094 -0.302 0.000 1.043 116 V CA -0.987 61.236 62.300 -0.127 0.000 0.888 116 V CB 1.403 33.009 31.823 -0.362 0.000 0.995 116 V HN 0.615 8.805 8.190 -0.000 0.000 0.429 117 I N 4.893 125.239 120.570 -0.373 0.000 2.355 117 I HA 0.379 4.550 4.170 0.002 0.000 0.288 117 I C -1.111 174.684 176.117 -0.537 0.000 0.999 117 I CA -0.546 60.461 61.300 -0.489 0.000 1.163 117 I CB 1.477 39.285 38.000 -0.321 0.000 1.316 117 I HN 0.800 9.010 8.210 -0.000 0.000 0.454 118 Y N 7.632 127.467 120.300 -0.775 0.000 2.367 118 Y HA 0.478 5.029 4.550 0.002 0.000 0.342 118 Y C -0.838 174.877 175.900 -0.308 0.000 0.979 118 Y CA -0.667 57.090 58.100 -0.571 0.000 1.161 118 Y CB 1.145 39.252 38.460 -0.588 0.000 1.155 118 Y HN 0.476 8.756 8.280 -0.000 0.000 0.503 119 L N 8.870 129.807 121.223 -0.477 0.000 2.272 119 L HA 0.481 4.822 4.340 0.002 0.000 0.289 119 L C -0.659 176.146 176.870 -0.108 0.000 1.032 119 L CA -0.627 54.094 54.840 -0.197 0.000 0.810 119 L CB 0.854 42.810 42.059 -0.172 0.000 1.205 119 L HN 0.765 8.995 8.230 -0.000 0.000 0.422 120 M N 4.175 123.878 119.600 0.171 0.000 2.578 120 M HA 0.676 5.157 4.480 0.002 0.000 0.321 120 M C -0.874 175.620 176.300 0.324 0.000 1.182 120 M CA -0.666 54.832 55.300 0.330 0.000 0.965 120 M CB 2.030 34.904 32.600 0.456 0.000 1.694 120 M HN 0.669 8.959 8.290 -0.000 0.000 0.461 121 R N 1.528 122.260 120.500 0.387 0.000 2.771 121 R HA 0.333 4.674 4.340 0.002 0.000 0.274 121 R C -0.958 175.459 176.300 0.194 0.000 0.987 121 R CA -0.758 55.497 56.100 0.260 0.000 0.908 121 R CB 1.596 31.971 30.300 0.124 0.000 1.213 121 R HN 0.969 9.239 8.270 -0.000 0.000 0.468 122 N N 4.145 122.865 118.700 0.033 0.000 2.365 122 N HA -0.033 4.708 4.740 0.002 0.000 0.265 122 N C -1.627 173.642 175.510 -0.401 0.000 1.288 122 N CA -0.875 52.074 53.050 -0.169 0.000 0.869 122 N CB 1.117 39.480 38.487 -0.206 0.000 1.071 122 N HN 0.425 8.805 8.380 -0.000 0.000 0.480 123 P HA -0.176 4.244 4.420 -0.000 0.000 0.217 123 P C 0.777 177.601 177.300 -0.794 0.000 1.148 123 P CA 1.397 63.910 63.100 -0.977 0.000 0.828 123 P CB 0.305 31.111 31.700 -1.491 0.000 0.783 124 R N -0.244 119.660 120.500 -0.993 0.000 2.075 124 R HA -0.092 4.249 4.340 0.002 0.000 0.232 124 R C 2.094 178.082 176.300 -0.520 0.000 1.126 124 R CA 1.474 56.912 56.100 -1.104 0.000 0.963 124 R CB -0.705 28.329 30.300 -2.110 0.000 0.858 124 R HN 0.181 8.451 8.270 -0.000 0.000 0.435 125 D N 0.119 120.285 120.400 -0.389 0.000 2.183 125 D HA -0.078 4.563 4.640 0.002 0.000 0.203 125 D C 1.952 178.186 176.300 -0.111 0.000 0.969 125 D CA 0.825 54.753 54.000 -0.121 0.000 0.842 125 D CB -0.007 40.727 40.800 -0.111 0.000 0.957 125 D HN -0.013 8.357 8.370 -0.000 0.000 0.484 126 V N 1.363 121.182 119.914 -0.159 0.000 2.295 126 V HA -0.201 3.920 4.120 0.002 0.000 0.246 126 V C 2.588 178.715 176.094 0.054 0.000 1.049 126 V CA 1.065 63.370 62.300 0.009 0.000 1.024 126 V CB -0.458 31.460 31.823 0.159 0.000 0.648 126 V HN 0.197 8.387 8.190 -0.000 0.000 0.447 127 L N -0.273 120.770 121.223 -0.300 0.000 1.971 127 L HA -0.207 4.134 4.340 0.002 0.000 0.215 127 L C 2.458 179.448 176.870 0.200 0.000 1.072 127 L CA 1.900 56.499 54.840 -0.401 0.000 0.758 127 L CB -0.275 41.256 42.059 -0.880 0.000 0.889 127 L HN 0.151 8.381 8.230 -0.000 0.000 0.433 128 V N -0.743 119.312 119.914 0.234 0.000 2.287 128 V HA -0.338 3.783 4.120 0.002 0.000 0.248 128 V C 2.764 179.040 176.094 0.303 0.000 1.053 128 V CA 2.053 64.553 62.300 0.332 0.000 1.027 128 V CB -0.565 31.433 31.823 0.293 0.000 0.646 128 V HN 0.624 8.814 8.190 -0.000 0.000 0.447 129 S N 0.141 115.959 115.700 0.198 0.000 2.370 129 S HA -0.172 4.299 4.470 0.002 0.000 0.226 129 S C 2.037 176.728 174.600 0.151 0.000 1.033 129 S CA 1.900 60.187 58.200 0.145 0.000 1.011 129 S CB -0.648 62.561 63.200 0.014 0.000 0.852 129 S HN 0.675 8.985 8.310 -0.000 0.000 0.457 130 G N -0.796 108.149 108.800 0.242 0.000 2.408 130 G HA2 -0.177 3.784 3.960 0.002 0.000 0.217 130 G HA3 -0.177 3.784 3.960 0.002 0.000 0.217 130 G C 1.258 176.271 174.900 0.189 0.000 1.150 130 G CA 0.867 46.171 45.100 0.340 0.000 0.776 130 G HN 0.649 8.939 8.290 -0.000 0.000 0.542 131 Y N 0.734 120.896 120.300 -0.230 0.000 2.097 131 Y HA -0.134 4.418 4.550 0.002 0.000 0.282 131 Y C 2.344 177.988 175.900 -0.426 0.000 1.152 131 Y CA 1.884 59.522 58.100 -0.769 0.000 1.136 131 Y CB -0.285 37.772 38.460 -0.672 0.000 0.975 131 Y HN 0.178 8.458 8.280 -0.000 0.000 0.498 132 F N -1.646 118.258 119.950 -0.076 0.000 2.259 132 F HA -0.117 4.411 4.527 0.002 0.000 0.298 132 F C 2.057 177.791 175.800 -0.110 0.000 1.088 132 F CA 1.028 58.949 58.000 -0.132 0.000 1.358 132 F CB -0.560 38.443 39.000 0.005 0.000 1.040 132 F HN 0.151 8.451 8.300 -0.000 0.000 0.505 133 F N -0.561 119.324 119.950 -0.108 0.000 2.118 133 F HA -0.096 4.432 4.527 0.002 0.000 0.293 133 F C 1.688 177.354 175.800 -0.224 0.000 1.102 133 F CA 1.284 59.129 58.000 -0.259 0.000 1.247 133 F CB -0.810 37.874 39.000 -0.527 0.000 1.017 133 F HN -0.101 8.199 8.300 -0.000 0.000 0.475 134 W N 1.119 122.402 121.300 -0.029 0.000 2.825 134 W HA -0.005 4.656 4.660 0.002 0.000 0.243 134 W C 2.362 178.779 176.519 -0.170 0.000 1.293 134 W CA 0.325 57.617 57.345 -0.089 0.000 1.403 134 W CB -0.332 29.211 29.460 0.139 0.000 1.134 134 W HN -0.018 8.162 8.180 -0.000 0.000 0.666 135 K N 1.570 121.910 120.400 -0.100 0.000 1.971 135 K HA -0.278 4.043 4.320 0.002 0.000 0.221 135 K C 1.695 178.230 176.600 -0.108 0.000 1.050 135 K CA 2.098 58.266 56.287 -0.197 0.000 0.967 135 K CB -0.886 31.423 32.500 -0.319 0.000 0.733 135 K HN 0.195 8.445 8.250 -0.000 0.000 0.445 136 N N 0.742 119.372 118.700 -0.117 0.000 2.389 136 N HA 0.124 4.865 4.740 0.002 0.000 0.237 136 N C 0.037 175.478 175.510 -0.115 0.000 1.148 136 N CA 0.019 53.007 53.050 -0.103 0.000 0.854 136 N CB -0.119 38.314 38.487 -0.090 0.000 1.115 136 N HN 0.163 8.543 8.380 -0.000 0.000 0.492 137 M N 0.660 120.209 119.600 -0.085 0.000 2.314 137 M HA 0.414 4.895 4.480 0.002 0.000 0.342 137 M C -0.177 176.087 176.300 -0.060 0.000 1.171 137 M CA -0.555 54.711 55.300 -0.057 0.000 1.098 137 M CB 1.141 33.787 32.600 0.077 0.000 1.559 137 M HN 0.206 8.496 8.290 -0.000 0.000 0.459 138 K N 2.958 123.270 120.400 -0.146 0.000 2.139 138 K HA 0.557 4.878 4.320 0.002 0.000 0.243 138 K C -0.640 175.836 176.600 -0.207 0.000 0.983 138 K CA -0.605 55.466 56.287 -0.360 0.000 0.890 138 K CB 0.831 32.846 32.500 -0.808 0.000 1.090 138 K HN 0.775 9.025 8.250 -0.000 0.000 0.445 139 F N -0.399 119.585 119.950 0.057 0.000 2.953 139 F HA -0.266 4.262 4.527 0.002 0.000 0.292 139 F C 0.338 176.177 175.800 0.064 0.000 0.747 139 F CA 0.010 58.048 58.000 0.064 0.000 1.222 139 F CB -1.587 37.472 39.000 0.099 0.000 1.457 139 F HN 0.456 8.756 8.300 -0.000 0.000 0.383 140 I N -2.318 118.344 120.570 0.154 0.000 2.865 140 I HA 0.498 4.669 4.170 0.002 0.000 0.302 140 I C -0.168 175.842 176.117 -0.178 0.000 1.140 140 I CA -1.347 60.001 61.300 0.079 0.000 1.021 140 I CB 1.970 40.069 38.000 0.165 0.000 1.233 140 I HN -0.029 8.181 8.210 -0.000 0.000 0.427 141 K N 3.521 123.453 120.400 -0.779 0.000 2.402 141 K HA 0.341 4.663 4.320 0.002 0.000 0.285 141 K C -0.143 176.394 176.600 -0.105 0.000 1.054 141 K CA 0.062 55.934 56.287 -0.692 0.000 1.001 141 K CB 0.529 32.134 32.500 -1.491 0.000 0.946 141 K HN 0.779 9.029 8.250 -0.000 0.000 0.473 142 K N 5.361 125.802 120.400 0.068 0.000 2.156 142 K HA 0.341 4.662 4.320 0.002 0.000 0.271 142 K C -2.474 174.245 176.600 0.199 0.000 0.995 142 K CA -1.646 54.741 56.287 0.166 0.000 0.890 142 K CB 0.413 32.948 32.500 0.058 0.000 1.073 142 K HN 0.571 8.821 8.250 -0.000 0.000 0.454 143 P HA 0.160 4.580 4.420 -0.000 0.000 0.276 143 P C -0.186 177.020 177.300 -0.156 0.000 1.244 143 P CA -0.364 62.488 63.100 -0.414 0.000 0.801 143 P CB 1.331 32.676 31.700 -0.591 0.000 1.006 144 K N 0.247 120.547 120.400 -0.166 0.000 2.228 144 K HA 0.072 4.393 4.320 0.002 0.000 0.202 144 K C 0.675 177.273 176.600 -0.003 0.000 1.051 144 K CA 0.443 56.701 56.287 -0.049 0.000 0.960 144 K CB -0.093 32.392 32.500 -0.026 0.000 0.743 144 K HN 0.562 8.812 8.250 -0.000 0.000 0.458 145 S N -1.772 113.929 115.700 0.001 0.000 2.643 145 S HA 0.070 4.541 4.470 0.002 0.000 0.270 145 S C -0.074 174.653 174.600 0.212 0.000 1.166 145 S CA -0.989 57.281 58.200 0.117 0.000 0.815 145 S CB -0.017 63.226 63.200 0.072 0.000 1.139 145 S HN 0.376 8.686 8.310 -0.000 0.000 0.472 146 W N 1.334 122.657 121.300 0.039 0.000 2.363 146 W HA -0.108 4.553 4.660 0.001 0.000 0.296 146 W C 0.960 177.414 176.519 -0.107 0.000 1.212 146 W CA 2.320 59.524 57.345 -0.235 0.000 1.260 146 W CB -0.500 28.668 29.460 -0.487 0.000 1.131 146 W HN 0.876 9.056 8.180 -0.000 0.000 0.530 147 E N 0.604 120.715 120.200 -0.149 0.000 2.077 147 E HA -0.272 4.079 4.350 0.002 0.000 0.193 147 E C 1.992 178.474 176.600 -0.196 0.000 0.989 147 E CA 2.185 58.441 56.400 -0.241 0.000 0.800 147 E CB -0.700 28.956 29.700 -0.074 0.000 0.746 147 E HN 0.486 8.846 8.360 -0.000 0.000 0.452 148 E N -0.760 119.328 120.200 -0.187 0.000 2.072 148 E HA -0.208 4.143 4.350 0.002 0.000 0.190 148 E C 1.897 178.197 176.600 -0.501 0.000 0.982 148 E CA 0.644 56.842 56.400 -0.336 0.000 0.803 148 E CB -0.201 29.240 29.700 -0.430 0.000 0.755 148 E HN 0.351 8.711 8.360 -0.000 0.000 0.453 149 Y N 0.112 120.152 120.300 -0.433 0.000 2.181 149 Y HA -0.253 4.298 4.550 0.002 0.000 0.288 149 Y C 1.891 177.726 175.900 -0.109 0.000 1.146 149 Y CA 1.992 59.961 58.100 -0.219 0.000 1.164 149 Y CB -0.462 38.049 38.460 0.084 0.000 0.982 149 Y HN 0.197 8.477 8.280 -0.000 0.000 0.515 150 F N 0.937 120.611 119.950 -0.460 0.000 2.095 150 F HA -0.222 4.306 4.527 0.002 0.000 0.298 150 F C 2.385 178.068 175.800 -0.196 0.000 1.104 150 F CA 2.159 59.834 58.000 -0.541 0.000 1.232 150 F CB -0.374 38.089 39.000 -0.894 0.000 0.987 150 F HN 0.023 8.323 8.300 -0.000 0.000 0.475 151 E N -0.090 120.121 120.200 0.018 0.000 2.051 151 E HA -0.231 4.120 4.350 0.002 0.000 0.192 151 E C 2.151 178.851 176.600 0.167 0.000 0.991 151 E CA 1.606 58.062 56.400 0.092 0.000 0.799 151 E CB -0.708 29.073 29.700 0.135 0.000 0.748 151 E HN 0.505 8.865 8.360 -0.000 0.000 0.449 152 W N 0.337 121.596 121.300 -0.067 0.000 2.338 152 W HA -0.172 4.489 4.660 0.002 0.000 0.304 152 W C 2.319 178.778 176.519 -0.099 0.000 1.212 152 W CA 0.520 57.826 57.345 -0.066 0.000 1.264 152 W CB -1.516 27.902 29.460 -0.069 0.000 1.142 152 W HN 0.105 8.285 8.180 -0.000 0.000 0.512 153 F N 0.196 120.075 119.950 -0.119 0.000 2.134 153 F HA -0.258 4.270 4.527 0.002 0.000 0.299 153 F C 2.352 178.140 175.800 -0.020 0.000 1.097 153 F CA 2.002 59.925 58.000 -0.128 0.000 1.264 153 F CB -0.567 38.279 39.000 -0.258 0.000 1.001 153 F HN -0.258 8.042 8.300 -0.000 0.000 0.479 154 C N -0.056 119.337 119.300 0.155 0.000 2.419 154 C HA -0.159 4.302 4.460 0.002 0.000 0.281 154 C C 2.383 177.436 174.990 0.104 0.000 1.336 154 C CA 1.049 60.149 59.018 0.136 0.000 1.770 154 C CB -1.348 26.356 27.740 -0.060 0.000 1.929 154 C HN 0.541 8.771 8.230 -0.000 0.000 0.509 155 Q N -0.709 119.133 119.800 0.071 0.000 2.319 155 Q HA 0.221 4.562 4.340 0.002 0.000 0.202 155 Q C 1.674 177.693 176.000 0.032 0.000 0.896 155 Q CA 0.626 56.459 55.803 0.050 0.000 0.942 155 Q CB 0.361 29.133 28.738 0.057 0.000 1.083 155 Q HN 0.688 8.958 8.270 -0.000 0.000 0.510 156 G N 1.296 110.098 108.800 0.002 0.000 2.179 156 G HA2 -0.305 3.656 3.960 0.002 0.000 0.260 156 G HA3 -0.305 3.656 3.960 0.002 0.000 0.260 156 G C 0.578 175.468 174.900 -0.017 0.000 0.977 156 G CA 0.604 45.692 45.100 -0.021 0.000 0.641 156 G HN 0.413 8.703 8.290 -0.000 0.000 0.533 157 T N -0.978 113.566 114.554 -0.016 0.000 4.058 157 T HA 0.607 4.958 4.350 0.002 0.000 0.252 157 T C 0.404 175.053 174.700 -0.085 0.000 1.264 157 T CA 0.219 62.298 62.100 -0.036 0.000 1.094 157 T CB 0.202 68.972 68.868 -0.162 0.000 1.316 157 T HN 1.767 10.007 8.240 -0.000 0.000 0.872 158 V N -1.431 118.394 119.914 -0.149 0.000 3.182 158 V HA 0.622 4.743 4.120 0.002 0.000 0.308 158 V C -0.137 175.631 176.094 -0.544 0.000 1.240 158 V CA -1.926 60.259 62.300 -0.191 0.000 1.063 158 V CB 1.388 33.209 31.823 -0.003 0.000 1.076 158 V HN 0.414 8.604 8.190 -0.000 0.000 0.446 159 L N 1.474 122.289 121.223 -0.680 0.000 2.615 159 L HA 0.130 4.471 4.340 0.002 0.000 0.284 159 L C 0.374 176.966 176.870 -0.464 0.000 1.237 159 L CA 0.664 55.015 54.840 -0.814 0.000 0.905 159 L CB -0.831 40.806 42.059 -0.702 0.000 1.149 159 L HN 0.938 9.168 8.230 -0.000 0.000 0.499 160 Y N 0.996 120.852 120.300 -0.740 0.000 4.668 160 Y HA -0.245 4.306 4.550 0.002 0.000 0.234 160 Y C 1.355 177.156 175.900 -0.164 0.000 1.056 160 Y CA 1.152 58.957 58.100 -0.493 0.000 2.025 160 Y CB -1.918 36.290 38.460 -0.420 0.000 1.613 160 Y HN 1.029 9.309 8.280 -0.000 0.000 0.653 161 G N -0.173 108.559 108.800 -0.113 0.000 2.601 161 G HA2 -0.278 3.683 3.960 0.002 0.000 0.252 161 G HA3 -0.278 3.683 3.960 0.002 0.000 0.252 161 G C 0.025 175.023 174.900 0.162 0.000 1.294 161 G CA -0.119 45.004 45.100 0.037 0.000 0.912 161 G HN 1.169 9.459 8.290 -0.000 0.000 0.574 162 S N -0.411 115.360 115.700 0.118 0.000 2.516 162 S HA 0.196 4.667 4.470 0.002 0.000 0.282 162 S C 1.070 175.673 174.600 0.005 0.000 1.286 162 S CA 0.981 59.218 58.200 0.060 0.000 1.066 162 S CB 0.112 63.382 63.200 0.117 0.000 0.884 162 S HN 1.118 9.428 8.310 -0.000 0.000 0.491 163 W N 6.283 127.201 121.300 -0.636 0.000 2.342 163 W HA -0.141 4.520 4.660 0.002 0.000 0.297 163 W C 1.054 177.317 176.519 -0.427 0.000 1.213 163 W CA 1.304 58.024 57.345 -1.042 0.000 1.251 163 W CB -0.429 28.300 29.460 -1.219 0.000 1.136 163 W HN 0.882 9.062 8.180 -0.000 0.000 0.526 164 F N 1.020 121.082 119.950 0.187 0.000 2.102 164 F HA -0.240 4.288 4.527 0.002 0.000 0.298 164 F C 2.296 178.108 175.800 0.020 0.000 1.105 164 F CA 1.830 59.906 58.000 0.127 0.000 1.239 164 F CB -0.996 38.070 39.000 0.110 0.000 0.991 164 F HN -0.207 8.093 8.300 -0.000 0.000 0.474 165 D N -1.299 119.194 120.400 0.155 0.000 2.117 165 D HA -0.190 4.451 4.640 0.002 0.000 0.198 165 D C 2.186 178.552 176.300 0.111 0.000 0.982 165 D CA 1.230 55.282 54.000 0.086 0.000 0.828 165 D CB -0.703 40.139 40.800 0.069 0.000 0.967 165 D HN 0.277 8.647 8.370 -0.000 0.000 0.464 166 H N 0.590 119.687 119.070 0.044 0.000 2.319 166 H HA -0.096 4.461 4.556 0.002 0.000 0.299 166 H C 2.072 177.468 175.328 0.113 0.000 1.092 166 H CA 0.934 57.077 56.048 0.159 0.000 1.302 166 H CB -0.072 29.846 29.762 0.261 0.000 1.373 166 H HN 0.044 8.324 8.280 -0.000 0.000 0.497 167 I N 0.601 121.154 120.570 -0.029 0.000 2.179 167 I HA -0.252 3.919 4.170 0.002 0.000 0.242 167 I C 2.347 178.383 176.117 -0.136 0.000 1.088 167 I CA 1.356 62.527 61.300 -0.215 0.000 1.357 167 I CB -1.218 36.370 38.000 -0.688 0.000 1.051 167 I HN 0.317 8.527 8.210 -0.000 0.000 0.409 168 H N 0.335 119.325 119.070 -0.133 0.000 2.321 168 H HA -0.071 4.486 4.556 0.002 0.000 0.300 168 H C 2.298 177.551 175.328 -0.124 0.000 1.087 168 H CA 1.691 57.675 56.048 -0.105 0.000 1.319 168 H CB -0.731 28.988 29.762 -0.073 0.000 1.379 168 H HN 0.341 8.621 8.280 -0.000 0.000 0.501 169 G N -0.974 107.809 108.800 -0.028 0.000 2.432 169 G HA2 -0.242 3.719 3.960 0.002 0.000 0.219 169 G HA3 -0.242 3.719 3.960 0.002 0.000 0.219 169 G C 1.121 175.851 174.900 -0.282 0.000 1.135 169 G CA 0.703 45.683 45.100 -0.200 0.000 0.767 169 G HN 0.444 8.734 8.290 -0.000 0.000 0.550 170 W N -0.408 120.790 121.300 -0.171 0.000 2.704 170 W HA 0.257 4.918 4.660 0.002 0.000 0.266 170 W C 2.549 178.855 176.519 -0.356 0.000 1.266 170 W CA -0.454 56.761 57.345 -0.217 0.000 1.377 170 W CB 0.094 29.399 29.460 -0.258 0.000 1.082 170 W HN -0.021 8.159 8.180 -0.000 0.000 0.608 171 M N 0.323 119.834 119.600 -0.148 0.000 2.195 171 M HA -0.129 4.352 4.480 0.002 0.000 0.260 171 M C -0.975 175.172 176.300 -0.254 0.000 1.066 171 M CA 1.424 56.580 55.300 -0.239 0.000 1.089 171 M CB -2.554 29.907 32.600 -0.231 0.000 1.377 171 M HN -0.164 8.126 8.290 -0.000 0.000 0.411 172 P HA -0.098 4.322 4.420 -0.000 0.000 0.221 172 P C 1.550 178.732 177.300 -0.197 0.000 1.145 172 P CA 0.994 64.000 63.100 -0.157 0.000 0.795 172 P CB -0.137 31.497 31.700 -0.110 0.000 0.775 173 M N -1.753 117.662 119.600 -0.308 0.000 2.492 173 M HA 0.011 4.492 4.480 0.002 0.000 0.262 173 M C 2.079 177.908 176.300 -0.785 0.000 1.090 173 M CA 0.920 55.977 55.300 -0.406 0.000 1.110 173 M CB -1.276 31.156 32.600 -0.281 0.000 1.407 173 M HN -0.028 8.262 8.290 -0.000 0.000 0.470 174 R N 1.329 121.263 120.500 -0.943 0.000 2.159 174 R HA -0.214 4.127 4.340 0.002 0.000 0.252 174 R C 1.290 177.519 176.300 -0.118 0.000 1.144 174 R CA 1.881 57.647 56.100 -0.556 0.000 0.961 174 R CB -0.030 30.127 30.300 -0.238 0.000 0.877 174 R HN 0.261 8.531 8.270 -0.000 0.000 0.444 175 E N 0.764 120.908 120.200 -0.093 0.000 2.482 175 E HA -0.006 4.345 4.350 0.002 0.000 0.196 175 E C -0.018 176.613 176.600 0.052 0.000 1.047 175 E CA 0.313 56.715 56.400 0.004 0.000 0.869 175 E CB -0.022 29.674 29.700 -0.007 0.000 0.836 175 E HN 0.355 8.715 8.360 -0.000 0.000 0.520 176 E N 0.876 121.111 120.200 0.058 0.000 2.398 176 E HA -0.000 4.351 4.350 0.002 0.000 0.263 176 E C 0.994 177.717 176.600 0.205 0.000 1.046 176 E CA 0.076 56.551 56.400 0.126 0.000 0.908 176 E CB 0.709 30.502 29.700 0.155 0.000 0.963 176 E HN 0.026 8.386 8.360 -0.000 0.000 0.431 177 K N 1.341 121.846 120.400 0.175 0.000 2.147 177 K HA -0.138 4.183 4.320 0.002 0.000 0.205 177 K C 1.086 177.861 176.600 0.292 0.000 1.049 177 K CA 1.299 57.702 56.287 0.192 0.000 0.936 177 K CB 0.009 32.578 32.500 0.115 0.000 0.722 177 K HN 0.382 8.632 8.250 -0.000 0.000 0.446 178 N N 0.293 119.174 118.700 0.302 0.000 2.327 178 N HA -0.025 4.716 4.740 0.002 0.000 0.231 178 N C -0.866 175.009 175.510 0.608 0.000 1.130 178 N CA -0.107 53.163 53.050 0.367 0.000 0.845 178 N CB -0.071 38.556 38.487 0.233 0.000 1.073 178 N HN 0.043 8.423 8.380 -0.000 0.000 0.496 179 F N 0.754 120.939 119.950 0.392 0.000 2.536 179 F HA 0.493 5.021 4.527 0.002 0.000 0.322 179 F C -1.466 174.269 175.800 -0.109 0.000 1.144 179 F CA -1.288 56.824 58.000 0.187 0.000 0.924 179 F CB 1.427 40.517 39.000 0.150 0.000 1.181 179 F HN -0.086 8.214 8.300 -0.000 0.000 0.438 180 L N 7.507 128.272 121.223 -0.763 0.000 2.333 180 L HA 0.618 4.959 4.340 0.002 0.000 0.280 180 L C -1.861 174.646 176.870 -0.605 0.000 1.004 180 L CA -0.757 53.557 54.840 -0.877 0.000 0.820 180 L CB 1.456 42.477 42.059 -1.729 0.000 1.247 180 L HN 0.657 8.887 8.230 -0.000 0.000 0.416 181 L N 6.179 127.261 121.223 -0.236 0.000 2.282 181 L HA 0.656 4.997 4.340 0.002 0.000 0.288 181 L C -1.318 175.505 176.870 -0.078 0.000 1.033 181 L CA 0.098 54.897 54.840 -0.069 0.000 0.807 181 L CB 0.918 43.061 42.059 0.140 0.000 1.209 181 L HN 0.625 8.855 8.230 -0.000 0.000 0.423 182 L N 3.585 124.771 121.223 -0.062 0.000 2.350 182 L HA 0.715 5.056 4.340 0.002 0.000 0.260 182 L C -0.364 176.521 176.870 0.026 0.000 1.015 182 L CA -0.719 54.085 54.840 -0.060 0.000 0.821 182 L CB 2.365 44.336 42.059 -0.146 0.000 1.370 182 L HN 0.700 8.930 8.230 -0.000 0.000 0.416 183 S N -0.818 114.904 115.700 0.038 0.000 2.536 183 S HA 0.297 4.769 4.470 0.002 0.000 0.298 183 S C 0.440 175.111 174.600 0.119 0.000 1.083 183 S CA -0.628 57.645 58.200 0.122 0.000 0.995 183 S CB 1.350 64.636 63.200 0.144 0.000 1.058 183 S HN 0.661 8.971 8.310 -0.000 0.000 0.488 184 Y N 2.302 122.647 120.300 0.076 0.000 2.207 184 Y HA -0.147 4.404 4.550 0.002 0.000 0.287 184 Y C 1.889 177.872 175.900 0.138 0.000 1.156 184 Y CA 2.302 60.473 58.100 0.119 0.000 1.182 184 Y CB -0.212 38.356 38.460 0.179 0.000 0.979 184 Y HN 0.819 9.099 8.280 -0.000 0.000 0.521 185 E N 0.508 120.907 120.200 0.331 0.000 2.077 185 E HA -0.247 4.104 4.350 0.002 0.000 0.193 185 E C 2.049 178.704 176.600 0.091 0.000 0.989 185 E CA 1.897 58.434 56.400 0.228 0.000 0.800 185 E CB -0.379 29.439 29.700 0.196 0.000 0.746 185 E HN 0.839 9.199 8.360 -0.000 0.000 0.452 186 E N 0.348 120.577 120.200 0.047 0.000 2.208 186 E HA -0.143 4.208 4.350 0.002 0.000 0.193 186 E C 1.946 178.508 176.600 -0.063 0.000 0.988 186 E CA 0.566 56.966 56.400 0.001 0.000 0.828 186 E CB -0.206 29.492 29.700 -0.004 0.000 0.763 186 E HN 0.176 8.536 8.360 -0.000 0.000 0.478 187 L N 1.229 122.364 121.223 -0.147 0.000 2.093 187 L HA -0.052 4.289 4.340 0.002 0.000 0.208 187 L C 2.203 178.975 176.870 -0.163 0.000 1.085 187 L CA 1.649 56.297 54.840 -0.320 0.000 0.755 187 L CB -0.283 41.374 42.059 -0.670 0.000 0.904 187 L HN -0.043 8.187 8.230 -0.000 0.000 0.435 188 K N -0.835 119.555 120.400 -0.016 0.000 2.076 188 K HA -0.060 4.261 4.320 0.002 0.000 0.204 188 K C 2.101 178.748 176.600 0.079 0.000 1.051 188 K CA 0.969 57.344 56.287 0.148 0.000 0.949 188 K CB -0.079 32.470 32.500 0.082 0.000 0.726 188 K HN 0.350 8.600 8.250 -0.000 0.000 0.443 189 Q N 0.452 120.279 119.800 0.045 0.000 2.046 189 Q HA -0.089 4.252 4.340 0.002 0.000 0.200 189 Q C 0.199 176.212 176.000 0.021 0.000 0.975 189 Q CA 1.144 56.967 55.803 0.035 0.000 0.836 189 Q CB 0.041 28.799 28.738 0.034 0.000 0.896 189 Q HN 0.185 8.455 8.270 -0.000 0.000 0.428 190 D N -0.425 119.977 120.400 0.004 0.000 2.468 190 D HA 0.143 4.784 4.640 0.002 0.000 0.272 190 D C 0.121 176.405 176.300 -0.028 0.000 1.221 190 D CA -0.039 53.958 54.000 -0.005 0.000 0.860 190 D CB 0.656 41.453 40.800 -0.005 0.000 1.190 190 D HN -0.037 8.333 8.370 -0.000 0.000 0.509 191 T N -0.213 114.330 114.554 -0.017 0.000 2.684 191 T HA -0.107 4.244 4.350 0.002 0.000 0.267 191 T C 1.923 176.593 174.700 -0.050 0.000 1.036 191 T CA 1.398 63.469 62.100 -0.049 0.000 1.148 191 T CB -0.121 68.759 68.868 0.019 0.000 0.863 191 T HN 0.438 8.678 8.240 -0.000 0.000 0.436 192 G N 1.110 109.899 108.800 -0.018 0.000 2.440 192 G HA2 -0.282 3.679 3.960 0.002 0.000 0.218 192 G HA3 -0.282 3.679 3.960 0.002 0.000 0.218 192 G C 1.637 176.523 174.900 -0.023 0.000 1.154 192 G CA 0.931 46.022 45.100 -0.015 0.000 0.767 192 G HN 0.430 8.720 8.290 -0.000 0.000 0.552 193 R N -0.369 120.117 120.500 -0.023 0.000 2.075 193 R HA -0.036 4.305 4.340 0.002 0.000 0.232 193 R C 2.739 179.016 176.300 -0.038 0.000 1.126 193 R CA 1.744 57.831 56.100 -0.022 0.000 0.963 193 R CB -0.363 29.928 30.300 -0.015 0.000 0.858 193 R HN 0.338 8.608 8.270 -0.000 0.000 0.435 194 T N 0.860 115.376 114.554 -0.063 0.000 2.821 194 T HA -0.066 4.285 4.350 0.002 0.000 0.267 194 T C 1.736 176.379 174.700 -0.095 0.000 1.046 194 T CA 1.234 63.277 62.100 -0.094 0.000 1.139 194 T CB -0.080 68.699 68.868 -0.148 0.000 0.871 194 T HN 0.195 8.435 8.240 -0.000 0.000 0.454 195 I N 0.823 121.340 120.570 -0.088 0.000 2.361 195 I HA -0.110 4.061 4.170 0.002 0.000 0.251 195 I C 2.810 178.908 176.117 -0.032 0.000 1.133 195 I CA 0.940 62.198 61.300 -0.069 0.000 1.413 195 I CB -0.256 37.709 38.000 -0.057 0.000 1.073 195 I HN 0.123 8.333 8.210 -0.000 0.000 0.424 196 E N 1.509 121.695 120.200 -0.023 0.000 2.047 196 E HA -0.192 4.159 4.350 0.002 0.000 0.191 196 E C 2.102 178.707 176.600 0.007 0.000 0.987 196 E CA 1.316 57.714 56.400 -0.003 0.000 0.799 196 E CB -0.015 29.683 29.700 -0.002 0.000 0.752 196 E HN 0.418 8.778 8.360 -0.000 0.000 0.449 197 K N 0.196 120.592 120.400 -0.006 0.000 2.074 197 K HA -0.125 4.196 4.320 0.002 0.000 0.209 197 K C 2.340 178.961 176.600 0.034 0.000 1.048 197 K CA 1.443 57.732 56.287 0.003 0.000 0.926 197 K CB -0.235 32.244 32.500 -0.036 0.000 0.713 197 K HN 0.150 8.400 8.250 -0.000 0.000 0.444 198 I N 0.701 121.276 120.570 0.008 0.000 2.179 198 I HA -0.346 3.825 4.170 0.002 0.000 0.242 198 I C 2.427 178.608 176.117 0.107 0.000 1.088 198 I CA 0.945 62.279 61.300 0.056 0.000 1.357 198 I CB -0.409 37.583 38.000 -0.013 0.000 1.051 198 I HN 0.267 8.477 8.210 -0.000 0.000 0.409 199 C N 0.068 119.401 119.300 0.054 0.000 2.413 199 C HA -0.205 4.256 4.460 0.002 0.000 0.276 199 C C 2.873 177.898 174.990 0.059 0.000 1.248 199 C CA 0.937 59.983 59.018 0.046 0.000 1.742 199 C CB -1.003 26.753 27.740 0.026 0.000 2.017 199 C HN 0.507 8.737 8.230 -0.000 0.000 0.481 200 Q N -0.168 119.675 119.800 0.072 0.000 2.124 200 Q HA -0.143 4.198 4.340 0.002 0.000 0.202 200 Q C 1.872 177.947 176.000 0.124 0.000 0.977 200 Q CA 1.587 57.437 55.803 0.079 0.000 0.850 200 Q CB -0.477 28.306 28.738 0.075 0.000 0.901 200 Q HN 0.682 8.952 8.270 -0.000 0.000 0.429 201 F N -0.287 119.657 119.950 -0.011 0.000 2.113 201 F HA -0.033 4.495 4.527 0.002 0.000 0.297 201 F C 1.215 177.011 175.800 -0.007 0.000 1.103 201 F CA 1.218 59.213 58.000 -0.009 0.000 1.248 201 F CB 0.016 39.000 39.000 -0.026 0.000 0.999 201 F HN 0.060 8.360 8.300 -0.000 0.000 0.475 202 L N -0.179 121.016 121.223 -0.046 0.000 2.591 202 L HA 0.263 4.604 4.340 0.002 0.000 0.228 202 L C 1.252 178.068 176.870 -0.091 0.000 1.133 202 L CA 0.461 55.211 54.840 -0.152 0.000 0.880 202 L CB -0.943 41.097 42.059 -0.032 0.000 1.033 202 L HN 0.368 8.598 8.230 -0.000 0.000 0.450 203 G N 0.947 109.717 108.800 -0.051 0.000 2.298 203 G HA2 -0.220 3.741 3.960 0.002 0.000 0.287 203 G HA3 -0.220 3.741 3.960 0.002 0.000 0.287 203 G C -0.089 174.804 174.900 -0.011 0.000 1.075 203 G CA 0.028 45.110 45.100 -0.030 0.000 0.960 203 G HN 0.163 8.453 8.290 -0.000 0.000 0.502 204 K N 0.072 120.474 120.400 0.004 0.000 2.328 204 K HA 0.838 5.159 4.320 0.002 0.000 0.246 204 K C 0.338 176.944 176.600 0.010 0.000 0.955 204 K CA -0.110 56.182 56.287 0.009 0.000 0.817 204 K CB 1.910 34.423 32.500 0.020 0.000 1.208 204 K HN 0.575 8.825 8.250 -0.000 0.000 0.432 205 T N -1.093 113.464 114.554 0.006 0.000 2.893 205 T HA 0.769 5.120 4.350 0.002 0.000 0.291 205 T C -0.240 174.462 174.700 0.003 0.000 1.028 205 T CA -0.893 61.210 62.100 0.005 0.000 0.995 205 T CB 1.004 69.873 68.868 0.002 0.000 1.051 205 T HN 0.319 8.559 8.240 -0.000 0.000 0.470 206 L N 1.530 122.755 121.223 0.004 0.000 2.401 206 L HA 0.570 4.911 4.340 0.002 0.000 0.266 206 L C -0.099 176.773 176.870 0.002 0.000 0.991 206 L CA -1.209 53.633 54.840 0.003 0.000 0.818 206 L CB 2.242 44.305 42.059 0.007 0.000 1.321 206 L HN 0.616 8.846 8.230 -0.000 0.000 0.413 207 E N 1.982 122.182 120.200 0.001 0.000 2.349 207 E HA 0.188 4.539 4.350 0.002 0.000 0.265 207 E C -1.793 174.809 176.600 0.003 0.000 1.064 207 E CA -1.752 54.648 56.400 0.001 0.000 0.886 207 E CB 1.118 30.817 29.700 -0.002 0.000 1.036 207 E HN 0.292 8.652 8.360 -0.000 0.000 0.413 208 P HA -0.238 4.182 4.420 -0.000 0.000 0.216 208 P C 1.239 178.543 177.300 0.006 0.000 1.157 208 P CA 1.657 64.760 63.100 0.005 0.000 0.880 208 P CB 0.213 31.916 31.700 0.004 0.000 0.791 209 E N 0.494 120.697 120.200 0.005 0.000 2.153 209 E HA -0.233 4.118 4.350 0.002 0.000 0.194 209 E C 1.628 178.233 176.600 0.008 0.000 0.988 209 E CA 1.424 57.828 56.400 0.006 0.000 0.811 209 E CB -0.936 28.767 29.700 0.004 0.000 0.746 209 E HN 0.375 8.735 8.360 -0.000 0.000 0.466 210 E N 1.051 121.256 120.200 0.007 0.000 2.072 210 E HA -0.027 4.324 4.350 0.002 0.000 0.190 210 E C 2.338 178.947 176.600 0.015 0.000 0.982 210 E CA 0.619 57.025 56.400 0.010 0.000 0.803 210 E CB -0.101 29.603 29.700 0.006 0.000 0.755 210 E HN 0.184 8.544 8.360 -0.000 0.000 0.453 211 L N 1.304 122.534 121.223 0.012 0.000 2.046 211 L HA -0.212 4.129 4.340 0.002 0.000 0.208 211 L C 1.939 178.819 176.870 0.017 0.000 1.077 211 L CA 1.148 55.995 54.840 0.013 0.000 0.747 211 L CB -0.237 41.827 42.059 0.009 0.000 0.896 211 L HN 0.185 8.415 8.230 -0.000 0.000 0.432 212 N N 0.194 118.903 118.700 0.016 0.000 2.043 212 N HA -0.213 4.529 4.740 0.002 0.000 0.193 212 N C 1.891 177.415 175.510 0.023 0.000 1.037 212 N CA 1.352 54.413 53.050 0.018 0.000 0.851 212 N CB -0.502 37.993 38.487 0.015 0.000 1.027 212 N HN 0.302 8.682 8.380 -0.000 0.000 0.422 213 L N 0.694 121.930 121.223 0.022 0.000 2.042 213 L HA -0.159 4.182 4.340 0.002 0.000 0.210 213 L C 2.184 179.074 176.870 0.034 0.000 1.076 213 L CA 0.925 55.780 54.840 0.026 0.000 0.749 213 L CB -0.389 41.685 42.059 0.025 0.000 0.893 213 L HN 0.167 8.397 8.230 -0.000 0.000 0.432 214 I N -0.458 120.133 120.570 0.035 0.000 2.142 214 I HA -0.320 3.851 4.170 0.002 0.000 0.240 214 I C 2.459 178.607 176.117 0.053 0.000 1.078 214 I CA 1.349 62.674 61.300 0.042 0.000 1.343 214 I CB -0.279 37.741 38.000 0.033 0.000 1.046 214 I HN 0.206 8.416 8.210 -0.000 0.000 0.405 215 L N 0.661 121.912 121.223 0.047 0.000 2.042 215 L HA -0.268 4.073 4.340 0.002 0.000 0.210 215 L C 2.683 179.597 176.870 0.072 0.000 1.076 215 L CA 1.574 56.453 54.840 0.064 0.000 0.749 215 L CB -0.638 41.449 42.059 0.047 0.000 0.893 215 L HN 0.264 8.494 8.230 -0.000 0.000 0.432 216 K N 0.182 120.612 120.400 0.050 0.000 2.001 216 K HA -0.160 4.161 4.320 0.002 0.000 0.208 216 K C 1.745 178.370 176.600 0.041 0.000 1.048 216 K CA 1.495 57.807 56.287 0.041 0.000 0.932 216 K CB -0.016 32.501 32.500 0.028 0.000 0.715 216 K HN 0.292 8.542 8.250 -0.000 0.000 0.437 217 N N 0.591 119.316 118.700 0.041 0.000 2.515 217 N HA -0.068 4.673 4.740 0.002 0.000 0.185 217 N C 1.046 176.585 175.510 0.049 0.000 1.109 217 N CA 1.075 54.145 53.050 0.033 0.000 0.903 217 N CB 0.384 38.889 38.487 0.030 0.000 0.969 217 N HN 0.296 8.676 8.380 -0.000 0.000 0.450 218 S N -1.118 114.639 115.700 0.095 0.000 2.578 218 S HA 0.102 4.573 4.470 0.002 0.000 0.231 218 S C 0.662 175.386 174.600 0.208 0.000 0.994 218 S CA -0.703 57.602 58.200 0.175 0.000 0.956 218 S CB -0.022 63.317 63.200 0.232 0.000 0.870 218 S HN 0.163 8.473 8.310 -0.000 0.000 0.494 219 S N 0.878 116.643 115.700 0.109 0.000 2.584 219 S HA 0.325 4.796 4.470 0.002 0.000 0.270 219 S C 0.707 175.294 174.600 -0.022 0.000 1.346 219 S CA -0.612 57.631 58.200 0.072 0.000 1.018 219 S CB -0.036 63.197 63.200 0.055 0.000 0.899 219 S HN 0.280 8.590 8.310 -0.000 0.000 0.542 220 F N 1.806 121.631 119.950 -0.208 0.000 2.065 220 F HA -0.147 4.381 4.527 0.002 0.000 0.298 220 F C 2.626 178.339 175.800 -0.145 0.000 1.112 220 F CA 2.190 60.038 58.000 -0.254 0.000 1.212 220 F CB -0.523 38.319 39.000 -0.262 0.000 0.975 220 F HN 0.582 8.882 8.300 -0.000 0.000 0.476 221 Q N 0.227 119.990 119.800 -0.062 0.000 2.084 221 Q HA -0.160 4.181 4.340 0.002 0.000 0.202 221 Q C 2.480 178.383 176.000 -0.163 0.000 0.978 221 Q CA 1.853 57.577 55.803 -0.131 0.000 0.844 221 Q CB -0.951 27.786 28.738 -0.001 0.000 0.898 221 Q HN 0.421 8.691 8.270 -0.000 0.000 0.426 222 S N 0.667 116.306 115.700 -0.100 0.000 2.370 222 S HA -0.116 4.355 4.470 0.002 0.000 0.226 222 S C 1.992 176.522 174.600 -0.116 0.000 1.033 222 S CA 1.252 59.404 58.200 -0.080 0.000 1.011 222 S CB -0.176 63.004 63.200 -0.033 0.000 0.852 222 S HN 0.347 8.657 8.310 -0.000 0.000 0.457 223 M N 0.770 120.272 119.600 -0.163 0.000 2.200 223 M HA -0.054 4.427 4.480 0.002 0.000 0.265 223 M C 2.291 178.453 176.300 -0.230 0.000 1.066 223 M CA 1.126 56.322 55.300 -0.173 0.000 1.127 223 M CB -0.289 32.204 32.600 -0.179 0.000 1.379 223 M HN 0.179 8.469 8.290 -0.000 0.000 0.420 224 K N 0.816 120.994 120.400 -0.369 0.000 2.147 224 K HA -0.166 4.155 4.320 0.002 0.000 0.205 224 K C 1.156 177.637 176.600 -0.199 0.000 1.049 224 K CA 1.334 57.402 56.287 -0.365 0.000 0.936 224 K CB 0.126 32.297 32.500 -0.550 0.000 0.722 224 K HN 0.370 8.620 8.250 -0.000 0.000 0.446 225 E N 0.177 120.281 120.200 -0.160 0.000 2.489 225 E HA -0.026 4.325 4.350 0.002 0.000 0.193 225 E C -0.271 176.281 176.600 -0.079 0.000 1.057 225 E CA -0.234 56.106 56.400 -0.101 0.000 0.866 225 E CB 0.215 29.866 29.700 -0.081 0.000 0.916 225 E HN 0.125 8.485 8.360 -0.000 0.000 0.500 226 N N 1.558 120.207 118.700 -0.085 0.000 2.500 226 N HA 0.043 4.784 4.740 0.002 0.000 0.236 226 N C 0.336 175.818 175.510 -0.047 0.000 1.022 226 N CA 0.025 53.038 53.050 -0.063 0.000 0.935 226 N CB 0.675 39.123 38.487 -0.065 0.000 1.147 226 N HN -0.071 8.309 8.380 -0.000 0.000 0.512 227 K N 2.326 122.700 120.400 -0.043 0.000 2.160 227 K HA -0.127 4.194 4.320 0.002 0.000 0.206 227 K C 1.422 178.033 176.600 0.018 0.000 1.047 227 K CA 1.215 57.477 56.287 -0.042 0.000 0.930 227 K CB 0.063 32.525 32.500 -0.064 0.000 0.720 227 K HN 0.531 8.781 8.250 -0.000 0.000 0.450 228 M N 0.148 119.760 119.600 0.019 0.000 2.319 228 M HA -0.043 4.438 4.480 0.002 0.000 0.265 228 M C 1.794 178.112 176.300 0.030 0.000 1.068 228 M CA 1.448 56.776 55.300 0.047 0.000 1.118 228 M CB -0.352 32.204 32.600 -0.073 0.000 1.395 228 M HN -0.022 8.268 8.290 -0.000 0.000 0.435 229 S N 0.072 115.774 115.700 0.002 0.000 2.499 229 S HA 0.040 4.511 4.470 0.002 0.000 0.225 229 S C 1.148 175.780 174.600 0.053 0.000 1.050 229 S CA 0.063 58.257 58.200 -0.011 0.000 0.928 229 S CB -0.067 63.098 63.200 -0.058 0.000 0.803 229 S HN 0.394 8.704 8.310 -0.000 0.000 0.506 230 N N 1.464 120.194 118.700 0.051 0.000 3.250 230 N HA 0.101 4.842 4.740 0.002 0.000 0.307 230 N C -1.198 174.422 175.510 0.183 0.000 1.355 230 N CA -0.164 52.918 53.050 0.054 0.000 1.192 230 N CB -0.483 37.985 38.487 -0.031 0.000 1.478 230 N HN 0.472 8.852 8.380 -0.000 0.000 0.543 231 Y N 0.074 120.439 120.300 0.108 0.000 2.322 231 Y HA 0.321 4.872 4.550 0.002 0.000 0.324 231 Y C -1.088 175.028 175.900 0.360 0.000 1.027 231 Y CA -0.985 57.251 58.100 0.227 0.000 1.179 231 Y CB 1.009 39.614 38.460 0.242 0.000 1.136 231 Y HN 0.107 8.387 8.280 -0.000 0.000 0.449 232 S N 6.109 122.167 115.700 0.598 0.000 2.482 232 S HA 0.401 4.872 4.470 0.002 0.000 0.303 232 S C 0.242 175.009 174.600 0.279 0.000 1.091 232 S CA -0.727 57.714 58.200 0.400 0.000 1.057 232 S CB 1.236 64.678 63.200 0.404 0.000 1.031 232 S HN 0.904 9.214 8.310 -0.000 0.000 0.485 233 L N 4.097 125.329 121.223 0.015 0.000 2.610 233 L HA 0.226 4.567 4.340 0.002 0.000 0.232 233 L C 0.254 177.193 176.870 0.117 0.000 1.149 233 L CA 0.200 54.954 54.840 -0.142 0.000 0.872 233 L CB -0.318 41.410 42.059 -0.552 0.000 0.992 233 L HN 0.513 8.743 8.230 -0.000 0.000 0.447 234 L N -0.184 121.221 121.223 0.303 0.000 2.426 234 L HA 0.062 4.403 4.340 0.002 0.000 0.271 234 L C 0.631 177.673 176.870 0.286 0.000 1.169 234 L CA -0.021 55.052 54.840 0.387 0.000 0.836 234 L CB 0.825 43.212 42.059 0.547 0.000 1.112 234 L HN 0.003 8.233 8.230 -0.000 0.000 0.465 235 S N 2.660 118.541 115.700 0.303 0.000 2.400 235 S HA 0.416 4.887 4.470 0.002 0.000 0.295 235 S C 0.241 174.868 174.600 0.045 0.000 1.113 235 S CA -0.644 57.678 58.200 0.203 0.000 1.064 235 S CB 0.645 64.026 63.200 0.302 0.000 0.990 235 S HN 0.458 8.768 8.310 -0.000 0.000 0.502 236 V N 1.165 121.115 119.914 0.061 0.000 2.644 236 V HA 0.640 4.761 4.120 0.002 0.000 0.295 236 V C 0.452 176.517 176.094 -0.049 0.000 1.053 236 V CA -0.772 61.516 62.300 -0.020 0.000 0.987 236 V CB 0.228 32.047 31.823 -0.006 0.000 1.006 236 V HN 0.824 9.014 8.190 -0.000 0.000 0.472 237 D N 2.888 123.197 120.400 -0.152 0.000 2.441 237 D HA 0.300 4.941 4.640 0.002 0.000 0.243 237 D C 0.588 176.761 176.300 -0.212 0.000 1.257 237 D CA 0.378 54.216 54.000 -0.270 0.000 1.027 237 D CB -0.704 39.954 40.800 -0.237 0.000 1.084 237 D HN 0.972 9.342 8.370 -0.000 0.000 0.514 238 Y N -0.092 120.181 120.300 -0.045 0.000 2.465 238 Y HA 0.062 4.613 4.550 0.002 0.000 0.289 238 Y C 2.425 178.310 175.900 -0.025 0.000 1.150 238 Y CA 0.871 58.955 58.100 -0.028 0.000 1.293 238 Y CB -0.753 37.698 38.460 -0.015 0.000 0.977 238 Y HN 0.342 8.622 8.280 -0.000 0.000 0.556 239 V N 1.000 120.764 119.914 -0.249 0.000 2.970 239 V HA 0.038 4.159 4.120 0.002 0.000 0.260 239 V C 2.176 178.228 176.094 -0.069 0.000 1.100 239 V CA 2.223 64.452 62.300 -0.118 0.000 1.122 239 V CB -0.894 30.803 31.823 -0.209 0.000 0.721 239 V HN 0.444 8.634 8.190 -0.000 0.000 0.483 240 V N -0.620 119.243 119.914 -0.085 0.000 2.788 240 V HA 0.505 4.626 4.120 0.002 0.000 0.241 240 V C 0.910 176.989 176.094 -0.025 0.000 1.083 240 V CA 2.232 64.498 62.300 -0.056 0.000 1.103 240 V CB -0.149 31.627 31.823 -0.078 0.000 0.800 240 V HN 0.716 8.906 8.190 -0.000 0.000 0.476 245 L N 0.914 122.260 121.223 0.206 0.000 2.012 245 L HA 0.114 4.455 4.340 0.002 0.000 0.210 245 L C 0.800 177.644 176.870 -0.042 0.000 1.073 245 L CA 2.186 57.056 54.840 0.051 0.000 0.748 245 L CB 0.141 42.228 42.059 0.046 0.000 0.891 245 L HN 0.696 8.926 8.230 -0.000 0.000 0.431 246 L N 0.630 121.844 121.223 -0.016 0.000 2.264 246 L HA 0.237 4.578 4.340 0.002 0.000 0.287 246 L C 1.167 178.151 176.870 0.191 0.000 1.039 246 L CA -0.092 54.762 54.840 0.023 0.000 0.829 246 L CB 1.101 42.946 42.059 -0.356 0.000 1.211 246 L HN 0.255 8.485 8.230 -0.000 0.000 0.427 247 R N 2.569 123.210 120.500 0.235 0.000 2.023 247 R HA 0.087 4.428 4.340 0.002 0.000 0.217 247 R C 1.439 177.824 176.300 0.140 0.000 1.255 247 R CA 0.852 57.037 56.100 0.141 0.000 0.981 247 R CB 0.424 30.735 30.300 0.018 0.000 0.853 247 R HN 0.510 8.780 8.270 -0.000 0.000 0.463 248 K N -2.042 118.291 120.400 -0.112 0.000 2.403 248 K HA 0.211 4.532 4.320 0.002 0.000 0.199 248 K C 0.461 176.393 176.600 -1.114 0.000 1.199 248 K CA 0.634 56.656 56.287 -0.442 0.000 0.924 248 K CB 1.243 33.571 32.500 -0.287 0.000 1.137 248 K HN 0.502 8.752 8.250 -0.000 0.000 0.510 249 G N 2.575 110.944 108.800 -0.717 0.000 2.176 249 G HA2 -0.239 3.722 3.960 0.002 0.000 0.252 249 G HA3 -0.239 3.722 3.960 0.002 0.000 0.252 249 G C 0.197 174.853 174.900 -0.406 0.000 1.024 249 G CA 0.574 45.265 45.100 -0.683 0.000 0.755 249 G HN 0.243 8.533 8.290 -0.000 0.000 0.507 250 V N -3.750 116.021 119.914 -0.240 0.000 3.352 250 V HA 0.971 5.092 4.120 0.002 0.000 0.299 250 V C 0.439 176.587 176.094 0.090 0.000 1.228 250 V CA -0.141 62.106 62.300 -0.087 0.000 1.017 250 V CB 1.701 33.439 31.823 -0.142 0.000 1.237 250 V HN 1.019 9.209 8.190 -0.000 0.000 0.472 251 S N -0.991 114.769 115.700 0.099 0.000 2.521 251 S HA 0.691 5.162 4.470 0.002 0.000 0.295 251 S C 0.450 175.079 174.600 0.049 0.000 1.098 251 S CA 0.515 58.797 58.200 0.136 0.000 0.999 251 S CB 0.807 64.152 63.200 0.241 0.000 1.034 251 S HN 2.725 11.035 8.310 -0.000 0.000 0.483 252 G N 3.932 112.778 108.800 0.075 0.000 2.131 252 G HA2 -0.198 3.763 3.960 0.002 0.000 0.223 252 G HA3 -0.198 3.763 3.960 0.002 0.000 0.223 252 G C 0.301 175.078 174.900 -0.205 0.000 0.990 252 G CA 0.438 45.520 45.100 -0.029 0.000 0.671 252 G HN 0.740 9.030 8.290 -0.000 0.000 0.521 253 D N 0.042 120.413 120.400 -0.048 0.000 2.371 253 D HA -0.020 4.621 4.640 0.002 0.000 0.221 253 D C 2.237 178.586 176.300 0.082 0.000 0.986 253 D CA 1.261 55.247 54.000 -0.024 0.000 0.899 253 D CB -0.256 40.564 40.800 0.034 0.000 0.902 253 D HN 0.713 9.083 8.370 -0.000 0.000 0.530 254 W N 0.794 122.067 121.300 -0.045 0.000 2.465 254 W HA -0.059 4.602 4.660 0.001 0.000 0.268 254 W C 1.043 177.519 176.519 -0.072 0.000 1.242 254 W CA 0.242 57.541 57.345 -0.078 0.000 1.248 254 W CB -0.582 28.563 29.460 -0.524 0.000 1.118 254 W HN -0.034 8.146 8.180 -0.000 0.000 0.587 255 K N 0.762 120.613 120.400 -0.915 0.000 2.211 255 K HA -0.104 4.217 4.320 0.002 0.000 0.203 255 K C 1.455 177.832 176.600 -0.372 0.000 1.050 255 K CA 1.153 56.910 56.287 -0.883 0.000 0.945 255 K CB -0.247 31.664 32.500 -0.982 0.000 0.732 255 K HN 0.107 8.357 8.250 -0.000 0.000 0.451 256 N N 0.323 118.840 118.700 -0.305 0.000 2.467 256 N HA -0.046 4.695 4.740 0.002 0.000 0.184 256 N C 0.718 175.844 175.510 -0.641 0.000 1.106 256 N CA 0.927 53.722 53.050 -0.424 0.000 0.892 256 N CB 0.252 38.451 38.487 -0.479 0.000 0.969 256 N HN 0.419 8.799 8.380 -0.000 0.000 0.454 257 H N -1.891 117.132 119.070 -0.079 0.000 3.091 257 H HA 0.257 4.814 4.556 0.002 0.000 0.249 257 H C -0.340 174.967 175.328 -0.035 0.000 0.985 257 H CA -0.412 55.477 56.048 -0.265 0.000 1.177 257 H CB 0.187 29.619 29.762 -0.551 0.000 1.456 257 H HN -0.058 8.222 8.280 -0.000 0.000 0.467 258 F N 3.208 123.275 119.950 0.195 0.000 2.456 258 F HA 0.172 4.699 4.527 0.001 0.000 0.358 258 F C 1.277 177.157 175.800 0.133 0.000 1.095 258 F CA -0.768 57.432 58.000 0.332 0.000 1.216 258 F CB 0.524 39.838 39.000 0.523 0.000 1.125 258 F HN 0.016 8.316 8.300 -0.000 0.000 0.549 259 T N -0.106 114.564 114.554 0.193 0.000 2.788 259 T HA 0.239 4.590 4.350 0.002 0.000 0.287 259 T C 1.244 176.036 174.700 0.154 0.000 1.007 259 T CA -0.857 61.302 62.100 0.098 0.000 1.005 259 T CB 1.000 69.882 68.868 0.023 0.000 1.012 259 T HN 0.296 8.536 8.240 -0.000 0.000 0.530 260 V N 1.665 121.644 119.914 0.108 0.000 2.407 260 V HA -0.122 3.999 4.120 0.002 0.000 0.248 260 V C 3.053 179.229 176.094 0.138 0.000 1.055 260 V CA 2.193 64.572 62.300 0.131 0.000 1.049 260 V CB -1.730 30.140 31.823 0.079 0.000 0.662 260 V HN 1.070 9.260 8.190 -0.000 0.000 0.455 261 A N -0.390 122.480 122.820 0.084 0.000 1.858 261 A HA -0.287 4.034 4.320 0.002 0.000 0.216 261 A C 2.191 179.822 177.584 0.079 0.000 1.190 261 A CA 1.952 54.029 52.037 0.066 0.000 0.617 261 A CB -0.526 18.486 19.000 0.020 0.000 0.827 261 A HN 0.609 8.759 8.150 -0.000 0.000 0.443 262 Q N -0.531 119.257 119.800 -0.019 0.000 2.096 262 Q HA -0.141 4.200 4.340 0.002 0.000 0.204 262 Q C 2.365 178.558 176.000 0.321 0.000 0.982 262 Q CA 1.489 57.190 55.803 -0.171 0.000 0.850 262 Q CB -0.441 27.810 28.738 -0.812 0.000 0.901 262 Q HN 0.685 8.955 8.270 -0.000 0.000 0.422 263 A N 1.381 124.481 122.820 0.466 0.000 1.933 263 A HA -0.217 4.104 4.320 0.002 0.000 0.218 263 A C 1.825 179.665 177.584 0.427 0.000 1.175 263 A CA 1.422 53.831 52.037 0.621 0.000 0.628 263 A CB -0.302 19.056 19.000 0.597 0.000 0.814 263 A HN 0.345 8.495 8.150 -0.000 0.000 0.444 264 E N -0.218 120.163 120.200 0.303 0.000 2.152 264 E HA -0.139 4.212 4.350 0.002 0.000 0.192 264 E C 1.217 177.958 176.600 0.235 0.000 0.983 264 E CA 0.935 57.472 56.400 0.229 0.000 0.818 264 E CB -0.171 29.626 29.700 0.161 0.000 0.758 264 E HN 0.525 8.885 8.360 -0.000 0.000 0.467 265 D N 0.571 121.132 120.400 0.269 0.000 2.097 265 D HA -0.135 4.506 4.640 0.002 0.000 0.197 265 D C 1.675 178.147 176.300 0.286 0.000 0.984 265 D CA 0.764 54.915 54.000 0.252 0.000 0.826 265 D CB -0.325 40.647 40.800 0.287 0.000 0.973 265 D HN 0.061 8.431 8.370 -0.000 0.000 0.460 266 F N 1.994 122.135 119.950 0.318 0.000 2.134 266 F HA -0.180 4.348 4.527 0.001 0.000 0.299 266 F C 1.890 177.825 175.800 0.225 0.000 1.097 266 F CA 1.348 59.525 58.000 0.294 0.000 1.264 266 F CB 0.029 39.278 39.000 0.415 0.000 1.001 266 F HN -0.177 8.123 8.300 -0.000 0.000 0.479 267 D N 0.211 120.838 120.400 0.379 0.000 2.182 267 D HA -0.220 4.421 4.640 0.002 0.000 0.201 267 D C 2.173 178.588 176.300 0.191 0.000 0.986 267 D CA 1.235 55.394 54.000 0.265 0.000 0.847 267 D CB -0.339 40.588 40.800 0.211 0.000 0.942 267 D HN 0.363 8.733 8.370 -0.000 0.000 0.467 268 K N 0.422 120.902 120.400 0.134 0.000 2.025 268 K HA -0.132 4.189 4.320 0.002 0.000 0.207 268 K C 2.202 178.793 176.600 -0.015 0.000 1.049 268 K CA 0.534 56.861 56.287 0.067 0.000 0.933 268 K CB -0.167 32.371 32.500 0.063 0.000 0.714 268 K HN -0.002 8.248 8.250 -0.000 0.000 0.438 269 L N 0.907 122.077 121.223 -0.088 0.000 2.017 269 L HA -0.119 4.222 4.340 0.002 0.000 0.208 269 L C 2.053 178.711 176.870 -0.353 0.000 1.073 269 L CA 1.669 56.355 54.840 -0.257 0.000 0.745 269 L CB -0.777 41.075 42.059 -0.345 0.000 0.894 269 L HN 0.265 8.495 8.230 -0.000 0.000 0.432 270 F N 0.445 120.161 119.950 -0.390 0.000 2.102 270 F HA -0.223 4.305 4.527 0.002 0.000 0.298 270 F C 2.681 178.445 175.800 -0.059 0.000 1.105 270 F CA 2.726 60.623 58.000 -0.172 0.000 1.239 270 F CB -0.896 38.126 39.000 0.037 0.000 0.991 270 F HN 0.272 8.572 8.300 -0.000 0.000 0.474 271 Q N 0.753 120.652 119.800 0.164 0.000 2.112 271 Q HA -0.274 4.067 4.340 0.002 0.000 0.206 271 Q C 2.147 178.105 176.000 -0.069 0.000 0.987 271 Q CA 2.060 57.917 55.803 0.089 0.000 0.858 271 Q CB -1.257 27.552 28.738 0.118 0.000 0.905 271 Q HN 0.764 9.034 8.270 -0.000 0.000 0.420 272 E N -0.165 119.960 120.200 -0.125 0.000 1.998 272 E HA -0.234 4.117 4.350 0.002 0.000 0.196 272 E C 2.023 178.491 176.600 -0.220 0.000 1.003 272 E CA 1.240 57.544 56.400 -0.159 0.000 0.829 272 E CB -0.073 29.518 29.700 -0.181 0.000 0.777 272 E HN 0.416 8.776 8.360 -0.000 0.000 0.460 273 K N -0.005 120.175 120.400 -0.366 0.000 2.089 273 K HA -0.160 4.161 4.320 0.002 0.000 0.210 273 K C 1.820 178.325 176.600 -0.159 0.000 1.048 273 K CA 1.258 57.311 56.287 -0.391 0.000 0.926 273 K CB -0.285 31.738 32.500 -0.796 0.000 0.714 273 K HN 0.377 8.627 8.250 -0.000 0.000 0.448 274 M N -0.068 119.389 119.600 -0.238 0.000 2.581 274 M HA 0.121 4.602 4.480 0.002 0.000 0.224 274 M C 1.690 177.939 176.300 -0.085 0.000 1.171 274 M CA -0.024 55.179 55.300 -0.161 0.000 0.993 274 M CB -0.715 31.555 32.600 -0.551 0.000 1.685 274 M HN 0.002 8.292 8.290 -0.000 0.000 0.479 275 A N 1.599 124.385 122.820 -0.057 0.000 1.877 275 A HA -0.185 4.136 4.320 0.002 0.000 0.216 275 A C 1.510 179.091 177.584 -0.005 0.000 1.186 275 A CA 2.175 54.195 52.037 -0.027 0.000 0.620 275 A CB -0.704 18.275 19.000 -0.034 0.000 0.822 275 A HN 0.558 8.708 8.150 -0.000 0.000 0.443 276 D N -0.908 119.503 120.400 0.018 0.000 2.363 276 D HA 0.180 4.821 4.640 0.002 0.000 0.226 276 D C 0.364 176.651 176.300 -0.021 0.000 1.020 276 D CA 0.191 54.197 54.000 0.011 0.000 0.892 276 D CB -0.283 40.539 40.800 0.036 0.000 0.900 276 D HN 0.413 8.783 8.370 -0.000 0.000 0.531 277 L N 0.149 121.345 121.223 -0.045 0.000 2.331 277 L HA 0.462 4.803 4.340 0.002 0.000 0.275 277 L C -2.076 174.779 176.870 -0.026 0.000 1.022 277 L CA -2.511 52.281 54.840 -0.081 0.000 0.812 277 L CB 1.210 43.166 42.059 -0.172 0.000 1.257 277 L HN -0.303 7.927 8.230 -0.000 0.000 0.435 278 P HA -0.024 4.396 4.420 -0.000 0.000 0.264 278 P C 0.508 177.836 177.300 0.047 0.000 1.179 278 P CA 0.256 63.364 63.100 0.014 0.000 0.763 278 P CB 0.569 32.275 31.700 0.010 0.000 0.806 279 R N 3.072 123.607 120.500 0.057 0.000 2.115 279 R HA -0.058 4.283 4.340 0.002 0.000 0.226 279 R C 2.240 178.598 176.300 0.097 0.000 1.100 279 R CA 2.229 58.382 56.100 0.088 0.000 0.980 279 R CB -1.960 28.386 30.300 0.076 0.000 0.875 279 R HN 0.540 8.810 8.270 -0.000 0.000 0.445 280 K N 0.649 121.094 120.400 0.074 0.000 2.209 280 K HA 0.110 4.431 4.320 0.002 0.000 0.204 280 K C 2.170 178.826 176.600 0.092 0.000 1.048 280 K CA 1.517 57.848 56.287 0.074 0.000 0.940 280 K CB -0.788 31.745 32.500 0.055 0.000 0.729 280 K HN 0.392 8.642 8.250 -0.000 0.000 0.451 281 L N 0.195 121.477 121.223 0.097 0.000 2.027 281 L HA 0.089 4.430 4.340 0.002 0.000 0.206 281 L C 2.776 179.760 176.870 0.190 0.000 1.074 281 L CA 2.184 57.096 54.840 0.120 0.000 0.745 281 L CB -0.610 41.502 42.059 0.088 0.000 0.898 281 L HN 0.367 8.597 8.230 -0.000 0.000 0.433 282 A N -0.911 122.047 122.820 0.230 0.000 2.067 282 A HA 0.026 4.347 4.320 0.002 0.000 0.219 282 A C 2.370 180.081 177.584 0.212 0.000 1.158 282 A CA 1.322 53.555 52.037 0.327 0.000 0.661 282 A CB -0.914 18.346 19.000 0.435 0.000 0.801 282 A HN 0.541 8.691 8.150 -0.000 0.000 0.452 283 A N -0.110 122.805 122.820 0.157 0.000 1.969 283 A HA 0.273 4.594 4.320 0.002 0.000 0.218 283 A C 2.183 179.833 177.584 0.109 0.000 1.169 283 A CA 1.446 53.553 52.037 0.116 0.000 0.635 283 A CB -0.711 18.346 19.000 0.095 0.000 0.810 283 A HN 1.042 9.192 8.150 -0.000 0.000 0.445 284 A N -0.902 121.990 122.820 0.121 0.000 2.261 284 A HA 0.394 4.715 4.320 0.002 0.000 0.208 284 A C 1.389 179.055 177.584 0.137 0.000 1.223 284 A CA 0.412 52.519 52.037 0.116 0.000 0.833 284 A CB -0.501 18.565 19.000 0.111 0.000 0.830 284 A HN 0.447 8.597 8.150 -0.000 0.000 0.483 285 L N -0.934 120.372 121.223 0.139 0.000 2.766 285 L HA 0.199 4.540 4.340 0.002 0.000 0.242 285 L C 0.553 177.470 176.870 0.079 0.000 1.136 285 L CA -0.129 54.789 54.840 0.129 0.000 0.933 285 L CB 0.132 42.279 42.059 0.145 0.000 1.241 285 L HN 0.363 8.593 8.230 -0.000 0.000 0.522 286 E N 0.000 120.250 120.200 0.083 0.000 2.725 286 E HA 0.000 4.351 4.350 0.002 0.000 0.291 286 E CA 0.000 56.449 56.400 0.081 0.000 0.976 286 E CB 0.000 29.744 29.700 0.073 0.000 0.812 286 E HN 0.000 8.360 8.360 -0.000 0.000 0.440