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 3ixg_1_A DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFIGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EXXXXXXLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI IXXXXXXIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 A HA 0.000 4.320 4.320 0.000 0.000 0.244 4 A C 0.000 177.484 177.584 -0.166 0.000 1.274 4 A CA 0.000 51.979 52.037 -0.097 0.000 0.836 4 A CB 0.000 18.935 19.000 -0.109 0.000 0.831 5 P HA -0.035 4.385 4.420 0.000 0.000 0.263 5 P C 0.884 178.072 177.300 -0.188 0.000 1.168 5 P CA 0.337 63.286 63.100 -0.251 0.000 0.759 5 P CB 0.548 32.002 31.700 -0.410 0.000 0.782 6 Q N 2.472 122.207 119.800 -0.108 0.000 2.112 6 Q HA -0.276 4.065 4.340 0.002 0.000 0.206 6 Q C 1.788 177.741 176.000 -0.078 0.000 0.987 6 Q CA 1.732 57.499 55.803 -0.060 0.000 0.858 6 Q CB -0.020 28.696 28.738 -0.038 0.000 0.905 6 Q HN 0.491 8.761 8.270 0.000 0.000 0.420 7 Q N -0.075 119.645 119.800 -0.132 0.000 2.096 7 Q HA -0.184 4.157 4.340 0.002 0.000 0.204 7 Q C 2.162 178.058 176.000 -0.174 0.000 0.982 7 Q CA 1.728 57.443 55.803 -0.147 0.000 0.850 7 Q CB -0.112 28.514 28.738 -0.187 0.000 0.901 7 Q HN 0.519 8.789 8.270 0.000 0.000 0.422 8 I N 0.423 120.838 120.570 -0.258 0.000 2.202 8 I HA -0.253 3.918 4.170 0.002 0.000 0.242 8 I C 2.016 178.070 176.117 -0.104 0.000 1.091 8 I CA 0.795 61.956 61.300 -0.230 0.000 1.368 8 I CB -0.329 37.465 38.000 -0.344 0.000 1.058 8 I HN 0.212 8.422 8.210 0.000 0.000 0.410 9 N N 1.227 119.931 118.700 0.005 0.000 2.021 9 N HA -0.237 4.504 4.740 0.002 0.000 0.198 9 N C 1.491 177.076 175.510 0.126 0.000 1.041 9 N CA 1.902 55.050 53.050 0.164 0.000 0.862 9 N CB -0.196 38.389 38.487 0.162 0.000 1.048 9 N HN 0.205 8.585 8.380 0.000 0.000 0.427 10 D N -0.144 120.289 120.400 0.054 0.000 2.087 10 D HA -0.150 4.491 4.640 0.002 0.000 0.192 10 D C 1.971 178.281 176.300 0.016 0.000 0.993 10 D CA 0.774 54.803 54.000 0.048 0.000 0.828 10 D CB -0.487 40.319 40.800 0.010 0.000 0.968 10 D HN 0.269 8.639 8.370 0.000 0.000 0.448 11 I N 0.322 120.866 120.570 -0.043 0.000 2.286 11 I HA -0.210 3.961 4.170 0.002 0.000 0.248 11 I C 2.160 178.219 176.117 -0.098 0.000 1.115 11 I CA 0.854 62.121 61.300 -0.056 0.000 1.392 11 I CB -0.070 37.892 38.000 -0.063 0.000 1.065 11 I HN -0.164 8.046 8.210 0.000 0.000 0.418 12 V N 0.335 120.120 119.914 -0.214 0.000 2.261 12 V HA -0.350 3.771 4.120 0.002 0.000 0.246 12 V C 2.371 178.316 176.094 -0.249 0.000 1.047 12 V CA 2.536 64.612 62.300 -0.373 0.000 1.015 12 V CB -1.094 30.162 31.823 -0.945 0.000 0.642 12 V HN 0.501 8.691 8.190 0.000 0.000 0.446 13 H N -0.346 118.702 119.070 -0.036 0.000 2.357 13 H HA -0.022 4.534 4.556 0.001 0.000 0.301 13 H C 2.492 177.831 175.328 0.019 0.000 1.082 13 H CA 1.325 57.417 56.048 0.074 0.000 1.342 13 H CB -0.068 29.766 29.762 0.121 0.000 1.389 13 H HN 0.250 8.530 8.280 0.000 0.000 0.511 14 R N -0.353 120.211 120.500 0.108 0.000 2.193 14 R HA -0.076 4.265 4.340 0.002 0.000 0.229 14 R C 1.297 177.604 176.300 0.012 0.000 1.110 14 R CA 1.694 57.825 56.100 0.052 0.000 0.988 14 R CB 0.069 30.392 30.300 0.038 0.000 0.871 14 R HN 0.342 8.612 8.270 0.000 0.000 0.458 15 T N -0.014 114.526 114.554 -0.023 0.000 3.045 15 T HA 0.141 4.492 4.350 0.002 0.000 0.239 15 T C 1.709 176.344 174.700 -0.109 0.000 1.008 15 T CA 0.147 62.221 62.100 -0.043 0.000 1.143 15 T CB 0.264 69.115 68.868 -0.028 0.000 0.894 15 T HN -0.032 8.208 8.240 0.000 0.000 0.451 16 I N 2.016 122.467 120.570 -0.197 0.000 2.333 16 I HA -0.040 4.131 4.170 0.002 0.000 0.246 16 I C 2.575 178.415 176.117 -0.463 0.000 1.106 16 I CA 1.245 62.307 61.300 -0.397 0.000 1.411 16 I CB -1.640 35.950 38.000 -0.683 0.000 1.082 16 I HN 0.228 8.438 8.210 0.000 0.000 0.420 17 T N 2.468 116.829 114.554 -0.322 0.000 2.635 17 T HA -0.114 4.237 4.350 0.002 0.000 0.267 17 T C -0.290 174.313 174.700 -0.161 0.000 1.040 17 T CA 1.876 63.846 62.100 -0.217 0.000 1.156 17 T CB -1.421 67.459 68.868 0.019 0.000 0.863 17 T HN 0.200 8.440 8.240 0.000 0.000 0.430 18 P HA -0.045 4.375 4.420 0.000 0.000 0.216 18 P C 1.616 178.850 177.300 -0.111 0.000 1.150 18 P CA 0.638 63.691 63.100 -0.078 0.000 0.843 18 P CB -0.173 31.500 31.700 -0.046 0.000 0.787 19 L N -0.842 120.285 121.223 -0.159 0.000 2.017 19 L HA -0.118 4.223 4.340 0.002 0.000 0.208 19 L C 2.212 178.929 176.870 -0.254 0.000 1.073 19 L CA 1.750 56.478 54.840 -0.187 0.000 0.745 19 L CB -1.013 40.923 42.059 -0.205 0.000 0.894 19 L HN -0.145 8.085 8.230 0.000 0.000 0.432 20 I N -0.575 119.808 120.570 -0.311 0.000 2.286 20 I HA -0.276 3.895 4.170 0.002 0.000 0.248 20 I C 2.259 178.273 176.117 -0.172 0.000 1.115 20 I CA 1.492 62.614 61.300 -0.297 0.000 1.392 20 I CB -0.319 37.470 38.000 -0.351 0.000 1.065 20 I HN 0.384 8.594 8.210 0.000 0.000 0.418 21 E N 0.285 120.409 120.200 -0.127 0.000 2.076 21 E HA -0.185 4.166 4.350 0.002 0.000 0.190 21 E C 2.190 178.756 176.600 -0.056 0.000 0.979 21 E CA 0.670 57.030 56.400 -0.067 0.000 0.807 21 E CB -0.065 29.609 29.700 -0.043 0.000 0.761 21 E HN 0.496 8.856 8.360 0.000 0.000 0.454 22 Q N 0.270 120.031 119.800 -0.066 0.000 2.124 22 Q HA -0.141 4.200 4.340 0.002 0.000 0.202 22 Q C 1.790 177.765 176.000 -0.041 0.000 0.977 22 Q CA 0.941 56.718 55.803 -0.044 0.000 0.850 22 Q CB 0.183 28.899 28.738 -0.037 0.000 0.901 22 Q HN 0.194 8.464 8.270 0.000 0.000 0.429 23 Q N -0.097 119.655 119.800 -0.081 0.000 2.356 23 Q HA 0.086 4.427 4.340 0.002 0.000 0.205 23 Q C -0.265 175.702 176.000 -0.056 0.000 0.901 23 Q CA 0.202 55.965 55.803 -0.066 0.000 0.938 23 Q CB 0.664 29.317 28.738 -0.143 0.000 1.081 23 Q HN 0.257 8.527 8.270 0.000 0.000 0.517 24 K N 0.769 121.132 120.400 -0.060 0.000 3.125 24 K HA -0.169 4.152 4.320 0.002 0.000 0.268 24 K C -0.655 175.931 176.600 -0.023 0.000 1.078 24 K CA 0.207 56.478 56.287 -0.026 0.000 0.775 24 K CB -2.113 30.389 32.500 0.002 0.000 1.253 24 K HN 0.228 8.478 8.250 0.000 0.000 0.486 25 I N 1.880 122.402 120.570 -0.079 0.000 2.396 25 I HA 0.047 4.218 4.170 0.002 0.000 0.289 25 I C -0.415 175.717 176.117 0.024 0.000 1.056 25 I CA -1.861 59.401 61.300 -0.063 0.000 1.365 25 I CB 0.618 38.491 38.000 -0.212 0.000 1.407 25 I HN 0.035 8.245 8.210 0.000 0.000 0.509 26 P HA 0.030 4.450 4.420 0.000 0.000 0.221 26 P C 0.480 177.900 177.300 0.201 0.000 1.150 26 P CA 0.700 63.899 63.100 0.165 0.000 0.800 26 P CB 0.440 32.244 31.700 0.173 0.000 0.787 27 G N -0.689 108.229 108.800 0.196 0.000 2.755 27 G HA2 0.597 4.558 3.960 0.002 0.000 0.297 27 G HA3 0.597 4.558 3.960 0.002 0.000 0.297 27 G C -2.005 173.080 174.900 0.308 0.000 1.441 27 G CA -0.448 44.802 45.100 0.249 0.000 0.964 27 G HN 0.122 8.412 8.290 0.000 0.000 0.540 28 M N 1.593 121.405 119.600 0.354 0.000 2.413 28 M HA 0.721 5.202 4.480 0.002 0.000 0.287 28 M C -1.457 175.095 176.300 0.420 0.000 1.186 28 M CA -0.671 54.815 55.300 0.310 0.000 0.927 28 M CB 2.162 34.859 32.600 0.162 0.000 1.715 28 M HN 1.064 9.354 8.290 0.000 0.000 0.478 29 A N 3.508 126.442 122.820 0.191 0.000 2.342 29 A HA 0.866 5.187 4.320 0.002 0.000 0.323 29 A C -1.571 176.163 177.584 0.249 0.000 1.125 29 A CA -0.611 51.563 52.037 0.229 0.000 0.785 29 A CB 1.657 20.730 19.000 0.123 0.000 1.221 29 A HN 0.627 8.777 8.150 0.000 0.000 0.463 30 V N 0.921 121.076 119.914 0.402 0.000 2.709 30 V HA 0.772 4.893 4.120 0.002 0.000 0.308 30 V C 0.062 176.398 176.094 0.403 0.000 1.062 30 V CA -0.245 62.286 62.300 0.386 0.000 0.901 30 V CB 1.833 33.934 31.823 0.464 0.000 1.003 30 V HN 1.355 9.545 8.190 0.000 0.000 0.425 31 A N 4.053 127.047 122.820 0.291 0.000 2.343 31 A HA 0.858 5.179 4.320 0.002 0.000 0.308 31 A C -1.039 176.637 177.584 0.153 0.000 1.092 31 A CA -0.530 51.624 52.037 0.194 0.000 0.751 31 A CB 1.647 20.723 19.000 0.127 0.000 1.203 31 A HN 0.657 8.807 8.150 0.000 0.000 0.452 32 V N 3.608 123.630 119.914 0.181 0.000 2.398 32 V HA 0.353 4.474 4.120 0.002 0.000 0.286 32 V C -0.561 175.626 176.094 0.156 0.000 1.026 32 V CA -0.226 62.172 62.300 0.164 0.000 0.868 32 V CB 1.192 33.125 31.823 0.183 0.000 0.982 32 V HN 0.725 8.915 8.190 0.000 0.000 0.443 33 I N 5.771 126.395 120.570 0.091 0.000 2.321 33 I HA 0.368 4.539 4.170 0.002 0.000 0.291 33 I C -0.699 175.513 176.117 0.159 0.000 0.998 33 I CA -0.145 61.197 61.300 0.069 0.000 1.227 33 I CB 0.865 38.837 38.000 -0.046 0.000 1.368 33 I HN 0.617 8.827 8.210 0.000 0.000 0.466 34 Y N 5.466 125.827 120.300 0.100 0.000 2.338 34 Y HA 0.331 4.882 4.550 0.001 0.000 0.333 34 Y C 0.155 176.097 175.900 0.071 0.000 0.968 34 Y CA -0.795 57.353 58.100 0.080 0.000 1.123 34 Y CB 1.112 39.633 38.460 0.102 0.000 1.165 34 Y HN 0.664 8.944 8.280 0.000 0.000 0.452 35 Q N 4.617 124.170 119.800 -0.412 0.000 2.453 35 Q HA -0.256 4.084 4.340 0.002 0.000 0.294 35 Q C 1.023 176.947 176.000 -0.127 0.000 1.295 35 Q CA 1.206 56.825 55.803 -0.306 0.000 0.853 35 Q CB -1.572 26.966 28.738 -0.334 0.000 1.193 35 Q HN 1.395 9.665 8.270 0.000 0.000 0.461 36 G N -0.478 108.257 108.800 -0.109 0.000 2.162 36 G HA2 -0.334 3.627 3.960 0.002 0.000 0.260 36 G HA3 -0.334 3.627 3.960 0.002 0.000 0.260 36 G C -0.083 174.768 174.900 -0.082 0.000 0.976 36 G CA 0.725 45.767 45.100 -0.097 0.000 0.655 36 G HN 0.304 8.594 8.290 0.000 0.000 0.533 37 K N 0.995 121.365 120.400 -0.051 0.000 2.345 37 K HA 0.529 4.850 4.320 0.002 0.000 0.255 37 K C -2.786 173.649 176.600 -0.276 0.000 0.934 37 K CA -2.031 54.166 56.287 -0.150 0.000 0.801 37 K CB 3.242 35.661 32.500 -0.134 0.000 1.137 37 K HN 0.041 8.291 8.250 0.000 0.000 0.424 38 P HA 0.246 4.666 4.420 0.000 0.000 0.288 38 P C -1.474 175.238 177.300 -0.981 0.000 1.267 38 P CA -0.449 62.317 63.100 -0.557 0.000 0.815 38 P CB 0.630 32.008 31.700 -0.537 0.000 0.989 39 Y N 0.968 120.992 120.300 -0.460 0.000 2.406 39 Y HA 0.457 5.007 4.550 0.001 0.000 0.340 39 Y C -0.126 175.511 175.900 -0.438 0.000 0.975 39 Y CA -0.523 57.346 58.100 -0.384 0.000 1.056 39 Y CB 1.794 40.210 38.460 -0.074 0.000 1.210 39 Y HN 0.280 8.560 8.280 0.000 0.000 0.448 40 Y N 2.336 122.513 120.300 -0.204 0.000 2.487 40 Y HA 0.725 5.276 4.550 0.002 0.000 0.337 40 Y C -0.979 174.575 175.900 -0.576 0.000 1.076 40 Y CA -1.580 56.408 58.100 -0.185 0.000 1.115 40 Y CB 1.474 39.846 38.460 -0.147 0.000 1.235 40 Y HN 0.400 8.680 8.280 0.000 0.000 0.468 41 F N -0.133 119.858 119.950 0.068 0.000 2.615 41 F HA 0.584 5.112 4.527 0.001 0.000 0.312 41 F C -0.480 175.094 175.800 -0.378 0.000 1.119 41 F CA -0.953 56.882 58.000 -0.274 0.000 0.979 41 F CB 2.383 41.184 39.000 -0.332 0.000 1.266 41 F HN 0.401 8.701 8.300 0.000 0.000 0.444 42 T N -1.460 112.783 114.554 -0.519 0.000 2.903 42 T HA 0.693 5.044 4.350 0.002 0.000 0.299 42 T C -1.652 172.737 174.700 -0.519 0.000 1.093 42 T CA -0.751 61.180 62.100 -0.282 0.000 1.002 42 T CB 2.010 70.825 68.868 -0.088 0.000 1.127 42 T HN 0.584 8.824 8.240 0.000 0.000 0.488 43 W N 0.369 121.705 121.300 0.061 0.000 3.127 43 W HA 0.506 5.166 4.660 -0.000 0.000 0.330 43 W C 0.862 177.331 176.519 -0.083 0.000 1.187 43 W CA -0.147 57.196 57.345 -0.003 0.000 1.198 43 W CB 1.702 31.172 29.460 0.017 0.000 1.408 43 W HN 1.395 9.575 8.180 0.000 0.000 0.529 44 G N 1.555 110.329 108.800 -0.044 0.000 2.564 44 G HA2 -0.308 3.653 3.960 0.002 0.000 0.273 44 G HA3 -0.308 3.653 3.960 0.002 0.000 0.273 44 G C -1.501 173.064 174.900 -0.557 0.000 1.242 44 G CA 0.160 45.011 45.100 -0.416 0.000 0.951 44 G HN 0.526 8.816 8.290 0.000 0.000 0.564 45 Y N -0.288 120.096 120.300 0.139 0.000 2.485 45 Y HA 0.658 5.211 4.550 0.004 0.000 0.345 45 Y C 1.248 177.194 175.900 0.078 0.000 0.998 45 Y CA -0.159 57.996 58.100 0.092 0.000 1.059 45 Y CB 1.806 40.305 38.460 0.065 0.000 1.234 45 Y HN 0.792 9.072 8.280 0.000 0.000 0.461 46 A N 0.491 123.408 122.820 0.162 0.000 1.844 46 A HA -0.047 4.274 4.320 0.002 0.000 0.212 46 A C 0.513 178.129 177.584 0.054 0.000 1.221 46 A CA 1.096 53.145 52.037 0.020 0.000 0.607 46 A CB -0.339 18.603 19.000 -0.096 0.000 0.878 46 A HN 0.712 8.862 8.150 0.000 0.000 0.451 47 D N 0.197 120.638 120.400 0.068 0.000 2.470 47 D HA 0.347 4.988 4.640 0.002 0.000 0.226 47 D C 1.001 177.330 176.300 0.050 0.000 1.196 47 D CA -0.150 53.875 54.000 0.043 0.000 0.979 47 D CB -0.184 40.628 40.800 0.020 0.000 1.059 47 D HN 0.347 8.717 8.370 0.000 0.000 0.515 48 I N 2.312 122.919 120.570 0.061 0.000 2.127 48 I HA -0.297 3.874 4.170 0.002 0.000 0.241 48 I C 2.393 178.446 176.117 -0.106 0.000 1.075 48 I CA 1.292 62.614 61.300 0.036 0.000 1.334 48 I CB -0.323 37.721 38.000 0.073 0.000 1.040 48 I HN 0.389 8.599 8.210 0.000 0.000 0.405 49 A N 0.929 123.712 122.820 -0.061 0.000 1.851 49 A HA -0.208 4.113 4.320 0.002 0.000 0.216 49 A C 2.180 179.700 177.584 -0.106 0.000 1.195 49 A CA 1.724 53.715 52.037 -0.076 0.000 0.622 49 A CB -0.528 18.449 19.000 -0.038 0.000 0.831 49 A HN 0.368 8.518 8.150 0.000 0.000 0.444 50 K N -0.337 120.017 120.400 -0.077 0.000 2.522 50 K HA 0.097 4.418 4.320 0.002 0.000 0.194 50 K C -0.543 176.004 176.600 -0.089 0.000 1.026 50 K CA 0.097 56.344 56.287 -0.067 0.000 1.119 50 K CB -0.025 32.456 32.500 -0.031 0.000 0.856 50 K HN 0.430 8.680 8.250 0.000 0.000 0.513 51 K N 1.727 122.013 120.400 -0.191 0.000 3.278 51 K HA -0.175 4.146 4.320 0.002 0.000 0.270 51 K C -0.800 175.840 176.600 0.067 0.000 0.955 51 K CA 0.453 56.564 56.287 -0.294 0.000 0.723 51 K CB -0.818 31.460 32.500 -0.370 0.000 1.382 51 K HN 0.178 8.428 8.250 0.000 0.000 0.461 52 Q N 0.620 120.501 119.800 0.135 0.000 2.322 52 Q HA 0.243 4.584 4.340 0.002 0.000 0.256 52 Q C -2.166 173.981 176.000 0.246 0.000 0.960 52 Q CA -2.050 53.847 55.803 0.157 0.000 0.934 52 Q CB 1.118 29.899 28.738 0.071 0.000 1.200 52 Q HN 0.181 8.451 8.270 0.000 0.000 0.435 53 P HA 0.076 4.496 4.420 0.000 0.000 0.274 53 P C -0.175 177.150 177.300 0.042 0.000 1.231 53 P CA -0.351 62.803 63.100 0.090 0.000 0.790 53 P CB 0.888 32.606 31.700 0.029 0.000 0.951 54 V N 2.692 122.621 119.914 0.024 0.000 2.585 54 V HA 0.205 4.326 4.120 0.002 0.000 0.296 54 V C 1.312 177.430 176.094 0.040 0.000 1.035 54 V CA 0.682 63.029 62.300 0.080 0.000 1.084 54 V CB 0.109 32.059 31.823 0.212 0.000 0.953 54 V HN 0.863 9.053 8.190 0.000 0.000 0.483 55 T N 1.395 115.968 114.554 0.032 0.000 2.888 55 T HA 0.356 4.707 4.350 0.002 0.000 0.288 55 T C 0.538 175.226 174.700 -0.019 0.000 1.063 55 T CA -0.686 61.404 62.100 -0.018 0.000 1.010 55 T CB 1.661 70.501 68.868 -0.047 0.000 1.214 55 T HN 0.431 8.671 8.240 0.000 0.000 0.533 56 Q N -0.321 119.413 119.800 -0.110 0.000 2.439 56 Q HA -0.038 4.303 4.340 0.002 0.000 0.211 56 Q C 1.718 177.598 176.000 -0.201 0.000 0.978 56 Q CA 1.335 57.016 55.803 -0.205 0.000 0.897 56 Q CB -0.024 28.480 28.738 -0.389 0.000 0.956 56 Q HN 0.591 8.861 8.270 0.000 0.000 0.483 57 Q N -0.764 118.935 119.800 -0.169 0.000 2.217 57 Q HA 0.113 4.454 4.340 0.002 0.000 0.217 57 Q C -0.202 175.732 176.000 -0.109 0.000 0.844 57 Q CA 0.024 55.695 55.803 -0.219 0.000 0.957 57 Q CB 1.022 29.598 28.738 -0.270 0.000 1.127 57 Q HN 0.140 8.410 8.270 0.000 0.000 0.503 58 T N 2.251 116.781 114.554 -0.040 0.000 2.867 58 T HA 0.113 4.464 4.350 0.002 0.000 0.297 58 T C 0.286 174.948 174.700 -0.063 0.000 0.989 58 T CA 0.295 62.349 62.100 -0.077 0.000 1.159 58 T CB 0.411 69.213 68.868 -0.109 0.000 0.928 58 T HN 0.155 8.395 8.240 0.000 0.000 0.538 59 L N 4.284 125.435 121.223 -0.120 0.000 2.319 59 L HA 0.410 4.751 4.340 0.002 0.000 0.280 59 L C -0.460 176.302 176.870 -0.181 0.000 1.099 59 L CA -0.270 54.544 54.840 -0.043 0.000 0.828 59 L CB 0.241 42.313 42.059 0.022 0.000 1.150 59 L HN 0.562 8.792 8.230 0.000 0.000 0.442 60 F N 1.058 121.036 119.950 0.046 0.000 2.508 60 F HA 0.321 4.850 4.527 0.004 0.000 0.325 60 F C 0.460 176.294 175.800 0.058 0.000 1.090 60 F CA -0.860 57.188 58.000 0.080 0.000 0.945 60 F CB 1.470 40.532 39.000 0.103 0.000 1.156 60 F HN 0.395 8.695 8.300 0.000 0.000 0.463 61 E N 3.344 123.701 120.200 0.262 0.000 2.299 61 E HA 0.111 4.462 4.350 0.002 0.000 0.272 61 E C 0.582 177.240 176.600 0.098 0.000 1.043 61 E CA -0.026 56.460 56.400 0.144 0.000 0.895 61 E CB 0.805 30.618 29.700 0.188 0.000 1.011 61 E HN 0.648 9.008 8.360 0.000 0.000 0.432 62 L N 2.944 124.149 121.223 -0.030 0.000 2.313 62 L HA 0.006 4.347 4.340 0.002 0.000 0.214 62 L C 1.484 178.239 176.870 -0.193 0.000 1.119 62 L CA 0.614 55.436 54.840 -0.029 0.000 0.809 62 L CB -0.910 41.148 42.059 -0.003 0.000 0.933 62 L HN 0.921 9.151 8.230 0.000 0.000 0.449 63 G N 0.505 108.925 108.800 -0.634 0.000 2.596 63 G HA2 -0.396 3.565 3.960 0.002 0.000 0.295 63 G HA3 -0.396 3.565 3.960 0.002 0.000 0.295 63 G C 0.866 175.564 174.900 -0.337 0.000 1.240 63 G CA 0.445 44.866 45.100 -1.131 0.000 0.985 63 G HN 0.249 8.539 8.290 0.000 0.000 0.555 64 S N -0.135 115.515 115.700 -0.082 0.000 2.469 64 S HA -0.002 4.469 4.470 0.002 0.000 0.238 64 S C 2.383 177.020 174.600 0.063 0.000 0.998 64 S CA 1.410 59.654 58.200 0.073 0.000 0.957 64 S CB -0.102 63.236 63.200 0.230 0.000 0.764 64 S HN 0.791 9.101 8.310 0.000 0.000 0.514 65 V N 1.982 121.919 119.914 0.038 0.000 2.688 65 V HA -0.177 3.944 4.120 0.002 0.000 0.256 65 V C 2.227 178.360 176.094 0.066 0.000 1.084 65 V CA 1.544 63.864 62.300 0.033 0.000 1.103 65 V CB -1.009 30.862 31.823 0.080 0.000 0.688 65 V HN 0.464 8.654 8.190 0.000 0.000 0.480 66 S N -0.273 115.476 115.700 0.082 0.000 2.420 66 S HA -0.280 4.191 4.470 0.002 0.000 0.237 66 S C 1.932 176.632 174.600 0.166 0.000 1.023 66 S CA 1.562 59.854 58.200 0.153 0.000 0.991 66 S CB -0.306 62.912 63.200 0.029 0.000 0.792 66 S HN 0.656 8.966 8.310 0.000 0.000 0.488 67 K N 0.729 121.175 120.400 0.077 0.000 2.209 67 K HA -0.091 4.230 4.320 0.002 0.000 0.204 67 K C 2.511 179.103 176.600 -0.013 0.000 1.048 67 K CA 1.564 57.891 56.287 0.066 0.000 0.940 67 K CB -0.443 32.111 32.500 0.090 0.000 0.729 67 K HN 0.629 8.879 8.250 0.000 0.000 0.451 68 T N -0.890 113.549 114.554 -0.191 0.000 2.777 68 T HA -0.131 4.220 4.350 0.002 0.000 0.266 68 T C 1.767 176.441 174.700 -0.042 0.000 1.040 68 T CA 0.931 62.756 62.100 -0.459 0.000 1.141 68 T CB -0.471 67.704 68.868 -1.155 0.000 0.868 68 T HN 0.015 8.255 8.240 0.000 0.000 0.444 69 F N 1.571 121.553 119.950 0.053 0.000 2.134 69 F HA 0.152 4.681 4.527 0.002 0.000 0.299 69 F C 2.344 178.198 175.800 0.090 0.000 1.097 69 F CA 0.745 58.748 58.000 0.006 0.000 1.264 69 F CB -0.613 38.268 39.000 -0.199 0.000 1.001 69 F HN 0.128 8.428 8.300 0.000 0.000 0.479 70 I N -0.239 120.509 120.570 0.296 0.000 2.226 70 I HA -0.241 3.930 4.170 0.002 0.000 0.245 70 I C 2.784 179.070 176.117 0.282 0.000 1.100 70 I CA 1.492 62.974 61.300 0.305 0.000 1.374 70 I CB -1.253 36.932 38.000 0.309 0.000 1.057 70 I HN 0.207 8.417 8.210 0.000 0.000 0.413 71 G N 0.587 109.508 108.800 0.203 0.000 2.446 71 G HA2 -0.192 3.769 3.960 0.002 0.000 0.217 71 G HA3 -0.192 3.769 3.960 0.002 0.000 0.217 71 G C 1.711 176.746 174.900 0.225 0.000 1.168 71 G CA 0.996 46.202 45.100 0.176 0.000 0.771 71 G HN 0.252 8.542 8.290 0.000 0.000 0.551 72 V N 0.616 120.686 119.914 0.260 0.000 2.427 72 V HA -0.092 4.029 4.120 0.002 0.000 0.248 72 V C 2.671 178.886 176.094 0.202 0.000 1.051 72 V CA 1.505 63.972 62.300 0.278 0.000 1.048 72 V CB -0.341 31.742 31.823 0.433 0.000 0.666 72 V HN 0.345 8.535 8.190 0.000 0.000 0.456 73 L N 1.282 122.602 121.223 0.162 0.000 2.083 73 L HA -0.041 4.300 4.340 0.002 0.000 0.209 73 L C 2.291 179.186 176.870 0.042 0.000 1.083 73 L CA 2.396 57.256 54.840 0.033 0.000 0.752 73 L CB -1.165 40.827 42.059 -0.110 0.000 0.899 73 L HN 0.266 8.496 8.230 0.000 0.000 0.433 74 G N -1.084 107.802 108.800 0.143 0.000 2.433 74 G HA2 -0.208 3.753 3.960 0.002 0.000 0.216 74 G HA3 -0.208 3.753 3.960 0.002 0.000 0.216 74 G C 1.542 176.551 174.900 0.181 0.000 1.186 74 G CA 0.557 45.785 45.100 0.214 0.000 0.779 74 G HN 0.580 8.870 8.290 0.000 0.000 0.543 75 G N 0.736 109.643 108.800 0.179 0.000 2.469 75 G HA2 -0.311 3.650 3.960 0.002 0.000 0.219 75 G HA3 -0.311 3.650 3.960 0.002 0.000 0.219 75 G C 1.465 176.424 174.900 0.097 0.000 1.150 75 G CA 1.538 46.723 45.100 0.143 0.000 0.763 75 G HN 0.530 8.820 8.290 0.000 0.000 0.561 76 D N 0.472 120.920 120.400 0.081 0.000 2.117 76 D HA 0.034 4.675 4.640 0.002 0.000 0.197 76 D C 2.675 178.988 176.300 0.023 0.000 0.987 76 D CA 1.548 55.576 54.000 0.046 0.000 0.829 76 D CB -0.314 40.507 40.800 0.035 0.000 0.961 76 D HN 0.258 8.628 8.370 0.000 0.000 0.460 77 A N 0.054 122.880 122.820 0.009 0.000 1.933 77 A HA -0.114 4.207 4.320 0.002 0.000 0.218 77 A C 2.335 179.927 177.584 0.013 0.000 1.175 77 A CA 1.195 53.223 52.037 -0.014 0.000 0.628 77 A CB -0.804 18.159 19.000 -0.063 0.000 0.814 77 A HN 0.407 8.557 8.150 0.000 0.000 0.444 78 I N -0.202 120.396 120.570 0.047 0.000 2.179 78 I HA -0.278 3.893 4.170 0.002 0.000 0.242 78 I C 2.898 179.044 176.117 0.048 0.000 1.088 78 I CA 1.167 62.504 61.300 0.061 0.000 1.357 78 I CB -0.307 37.748 38.000 0.091 0.000 1.051 78 I HN 0.334 8.544 8.210 0.000 0.000 0.409 79 A N 0.522 123.369 122.820 0.045 0.000 2.067 79 A HA -0.139 4.182 4.320 0.002 0.000 0.219 79 A C 2.266 179.864 177.584 0.023 0.000 1.158 79 A CA 1.226 53.283 52.037 0.034 0.000 0.661 79 A CB -0.514 18.506 19.000 0.033 0.000 0.801 79 A HN 0.349 8.499 8.150 0.000 0.000 0.452 80 R N -1.394 119.117 120.500 0.019 0.000 2.313 80 R HA 0.181 4.522 4.340 0.002 0.000 0.199 80 R C 1.236 177.545 176.300 0.016 0.000 0.958 80 R CA 0.517 56.624 56.100 0.011 0.000 1.047 80 R CB -0.094 30.206 30.300 0.000 0.000 0.955 80 R HN 0.649 8.919 8.270 0.000 0.000 0.481 81 G N 1.058 109.873 108.800 0.024 0.000 2.143 81 G HA2 -0.313 3.648 3.960 0.002 0.000 0.248 81 G HA3 -0.313 3.648 3.960 0.002 0.000 0.248 81 G C 0.493 175.415 174.900 0.038 0.000 0.991 81 G CA 0.564 45.683 45.100 0.032 0.000 0.689 81 G HN 0.444 8.734 8.290 0.000 0.000 0.522 82 E N -0.682 119.535 120.200 0.029 0.000 2.102 82 E HA 0.290 4.641 4.350 0.002 0.000 0.190 82 E C 1.554 178.185 176.600 0.052 0.000 0.971 82 E CA 1.070 57.488 56.400 0.029 0.000 0.821 82 E CB 0.238 29.933 29.700 -0.009 0.000 0.777 82 E HN 0.878 9.238 8.360 0.000 0.000 0.460 83 I N -2.290 118.299 120.570 0.032 0.000 3.042 83 I HA 0.530 4.701 4.170 0.002 0.000 0.310 83 I C -1.121 175.051 176.117 0.093 0.000 1.117 83 I CA -1.192 60.140 61.300 0.053 0.000 1.003 83 I CB 2.242 40.179 38.000 -0.106 0.000 1.228 83 I HN -0.331 7.879 8.210 0.000 0.000 0.443 84 K N 2.504 122.986 120.400 0.137 0.000 2.375 84 K HA 0.526 4.847 4.320 0.002 0.000 0.249 84 K C 0.169 176.850 176.600 0.134 0.000 0.942 84 K CA -0.786 55.574 56.287 0.121 0.000 0.806 84 K CB 2.773 35.338 32.500 0.108 0.000 1.227 84 K HN 0.613 8.863 8.250 0.000 0.000 0.430 85 L N 0.983 122.269 121.223 0.106 0.000 2.376 85 L HA -0.101 4.240 4.340 0.002 0.000 0.219 85 L C 1.658 178.558 176.870 0.051 0.000 1.133 85 L CA 0.981 55.866 54.840 0.075 0.000 0.816 85 L CB -0.234 41.824 42.059 -0.001 0.000 0.933 85 L HN 0.672 8.902 8.230 0.000 0.000 0.449 86 S N -2.711 113.028 115.700 0.065 0.000 2.562 86 S HA 0.017 4.488 4.470 0.002 0.000 0.221 86 S C 0.505 175.157 174.600 0.086 0.000 0.975 86 S CA -0.381 57.849 58.200 0.050 0.000 0.918 86 S CB -0.363 62.867 63.200 0.049 0.000 0.772 86 S HN 0.220 8.530 8.310 0.000 0.000 0.531 87 D N 4.542 125.026 120.400 0.140 0.000 2.455 87 D HA 0.230 4.871 4.640 0.002 0.000 0.241 87 D C -2.238 174.176 176.300 0.190 0.000 1.138 87 D CA -1.327 52.784 54.000 0.184 0.000 0.877 87 D CB 0.533 41.543 40.800 0.351 0.000 1.187 87 D HN 0.220 8.590 8.370 0.000 0.000 0.451 88 P HA 0.037 4.457 4.420 0.000 0.000 0.272 88 P C 0.559 178.002 177.300 0.239 0.000 1.223 88 P CA -0.281 62.929 63.100 0.184 0.000 0.784 88 P CB 0.698 32.483 31.700 0.141 0.000 0.923 89 T N 0.398 115.132 114.554 0.299 0.000 2.803 89 T HA -0.121 4.230 4.350 0.002 0.000 0.269 89 T C 1.597 176.443 174.700 0.242 0.000 1.052 89 T CA 2.429 64.722 62.100 0.322 0.000 1.136 89 T CB -1.015 68.100 68.868 0.412 0.000 0.864 89 T HN 0.637 8.877 8.240 0.000 0.000 0.467 90 T N 0.331 114.994 114.554 0.181 0.000 3.072 90 T HA 0.068 4.419 4.350 0.002 0.000 0.266 90 T C 1.716 176.424 174.700 0.015 0.000 1.127 90 T CA 0.716 62.872 62.100 0.093 0.000 1.107 90 T CB -0.140 68.780 68.868 0.086 0.000 0.910 90 T HN 0.394 8.634 8.240 0.000 0.000 0.513 91 K N 0.292 120.657 120.400 -0.059 0.000 2.148 91 K HA -0.067 4.254 4.320 0.002 0.000 0.204 91 K C 1.164 177.490 176.600 -0.456 0.000 1.050 91 K CA 1.132 57.235 56.287 -0.306 0.000 0.942 91 K CB -0.140 32.076 32.500 -0.473 0.000 0.724 91 K HN 0.541 8.791 8.250 0.000 0.000 0.446 92 Y N -2.706 117.642 120.300 0.079 0.000 2.462 92 Y HA 0.141 4.692 4.550 0.002 0.000 0.253 92 Y C 0.096 176.077 175.900 0.134 0.000 1.095 92 Y CA -0.672 57.466 58.100 0.063 0.000 1.283 92 Y CB 0.644 39.111 38.460 0.012 0.000 1.138 92 Y HN 0.077 8.357 8.280 0.000 0.000 0.522 93 W N 2.624 123.931 121.300 0.011 0.000 2.387 93 W HA 0.416 5.077 4.660 0.001 0.000 0.285 93 W C -2.603 173.865 176.519 -0.086 0.000 1.011 93 W CA -3.683 53.621 57.345 -0.068 0.000 1.576 93 W CB 1.067 30.432 29.460 -0.159 0.000 1.540 93 W HN -0.130 8.050 8.180 0.000 0.000 0.383 94 P HA -0.155 4.265 4.420 0.000 0.000 0.221 94 P C 1.265 178.454 177.300 -0.186 0.000 1.150 94 P CA 1.564 64.629 63.100 -0.058 0.000 0.800 94 P CB 0.563 32.251 31.700 -0.019 0.000 0.787 95 E N -0.679 119.332 120.200 -0.315 0.000 2.273 95 E HA -0.139 4.212 4.350 0.002 0.000 0.198 95 E C 0.553 176.817 176.600 -0.560 0.000 1.002 95 E CA 0.598 56.735 56.400 -0.438 0.000 0.828 95 E CB -0.970 28.392 29.700 -0.564 0.000 0.747 95 E HN 0.140 8.500 8.360 0.000 0.000 0.491 96 L N 1.613 122.427 121.223 -0.683 0.000 2.395 96 L HA 0.088 4.429 4.340 0.002 0.000 0.268 96 L C 0.328 177.064 176.870 -0.223 0.000 1.223 96 L CA 0.420 54.891 54.840 -0.615 0.000 1.093 96 L CB -0.457 41.108 42.059 -0.823 0.000 1.349 96 L HN -0.038 8.192 8.230 0.000 0.000 0.427 97 T N 0.001 114.474 114.554 -0.134 0.000 3.218 97 T HA 0.701 5.052 4.350 0.002 0.000 0.241 97 T C 0.326 175.057 174.700 0.052 0.000 0.929 97 T CA -0.225 61.859 62.100 -0.026 0.000 0.979 97 T CB 0.128 68.968 68.868 -0.047 0.000 1.129 97 T HN 0.429 8.669 8.240 0.000 0.000 0.559 98 A N 1.246 124.162 122.820 0.161 0.000 2.311 98 A HA 0.649 4.970 4.320 0.002 0.000 0.334 98 A C 1.368 179.043 177.584 0.152 0.000 1.139 98 A CA -0.939 51.212 52.037 0.189 0.000 0.830 98 A CB 1.070 20.268 19.000 0.329 0.000 1.234 98 A HN 0.227 8.377 8.150 0.000 0.000 0.483 99 K N 0.234 120.676 120.400 0.070 0.000 2.074 99 K HA -0.204 4.117 4.320 0.002 0.000 0.209 99 K C 2.196 178.805 176.600 0.015 0.000 1.048 99 K CA 2.192 58.495 56.287 0.027 0.000 0.926 99 K CB -0.048 32.441 32.500 -0.017 0.000 0.713 99 K HN 0.880 9.130 8.250 0.000 0.000 0.444 100 Q N -0.689 119.091 119.800 -0.034 0.000 2.049 100 Q HA -0.166 4.175 4.340 0.002 0.000 0.198 100 Q C 2.052 178.009 176.000 -0.071 0.000 0.971 100 Q CA 1.285 57.001 55.803 -0.145 0.000 0.833 100 Q CB -0.944 27.575 28.738 -0.365 0.000 0.896 100 Q HN 0.381 8.651 8.270 0.000 0.000 0.434 101 W N 2.477 123.856 121.300 0.132 0.000 2.392 101 W HA 0.030 4.690 4.660 0.001 0.000 0.279 101 W C 0.674 177.270 176.519 0.129 0.000 1.225 101 W CA 0.147 57.585 57.345 0.154 0.000 1.233 101 W CB -0.142 29.390 29.460 0.119 0.000 1.122 101 W HN 0.117 8.297 8.180 0.000 0.000 0.561 102 N N 0.405 119.268 118.700 0.272 0.000 2.475 102 N HA 0.202 4.943 4.740 0.002 0.000 0.267 102 N C 0.979 176.586 175.510 0.162 0.000 1.169 102 N CA 0.966 54.129 53.050 0.188 0.000 0.947 102 N CB 0.695 39.257 38.487 0.126 0.000 1.061 102 N HN 0.218 8.598 8.380 0.000 0.000 0.466 103 G N 2.470 111.379 108.800 0.182 0.000 2.234 103 G HA2 -0.255 3.706 3.960 0.002 0.000 0.235 103 G HA3 -0.255 3.706 3.960 0.002 0.000 0.235 103 G C 0.163 175.236 174.900 0.289 0.000 0.997 103 G CA -0.457 44.758 45.100 0.193 0.000 0.623 103 G HN 0.553 8.843 8.290 0.000 0.000 0.514 104 I N 3.208 123.963 120.570 0.308 0.000 2.312 104 I HA 0.399 4.570 4.170 0.002 0.000 0.291 104 I C 1.165 177.534 176.117 0.420 0.000 1.031 104 I CA 0.156 61.721 61.300 0.441 0.000 1.293 104 I CB 1.158 39.337 38.000 0.298 0.000 1.403 104 I HN 0.320 8.530 8.210 0.000 0.000 0.484 105 T N 3.047 117.799 114.554 0.330 0.000 2.936 105 T HA 0.438 4.789 4.350 0.002 0.000 0.282 105 T C 1.246 176.023 174.700 0.129 0.000 1.003 105 T CA -0.881 61.278 62.100 0.097 0.000 1.005 105 T CB 1.553 70.322 68.868 -0.165 0.000 1.097 105 T HN 0.406 8.646 8.240 0.000 0.000 0.532 106 L N 0.336 121.653 121.223 0.156 0.000 2.079 106 L HA -0.042 4.299 4.340 0.002 0.000 0.210 106 L C 2.549 179.421 176.870 0.002 0.000 1.081 106 L CA 0.968 55.933 54.840 0.209 0.000 0.752 106 L CB -0.759 41.484 42.059 0.307 0.000 0.896 106 L HN 0.619 8.849 8.230 0.000 0.000 0.433 107 L N -0.286 120.882 121.223 -0.092 0.000 2.012 107 L HA -0.272 4.069 4.340 0.002 0.000 0.210 107 L C 2.397 179.234 176.870 -0.055 0.000 1.073 107 L CA 1.985 56.726 54.840 -0.165 0.000 0.748 107 L CB -0.650 41.340 42.059 -0.114 0.000 0.891 107 L HN 0.255 8.485 8.230 0.000 0.000 0.431 108 H N -1.041 118.094 119.070 0.108 0.000 2.319 108 H HA -0.153 4.404 4.556 0.001 0.000 0.299 108 H C 2.246 177.569 175.328 -0.009 0.000 1.092 108 H CA 1.621 57.721 56.048 0.087 0.000 1.302 108 H CB -0.221 29.616 29.762 0.124 0.000 1.373 108 H HN 0.326 8.606 8.280 0.000 0.000 0.497 109 L N 0.298 121.597 121.223 0.127 0.000 2.017 109 L HA -0.187 4.154 4.340 0.002 0.000 0.208 109 L C 2.882 179.652 176.870 -0.166 0.000 1.073 109 L CA 0.898 55.780 54.840 0.069 0.000 0.745 109 L CB -0.559 41.621 42.059 0.202 0.000 0.894 109 L HN 0.353 8.583 8.230 0.000 0.000 0.432 110 A N -0.244 122.286 122.820 -0.483 0.000 1.972 110 A HA -0.165 4.156 4.320 0.002 0.000 0.219 110 A C 2.058 179.183 177.584 -0.765 0.000 1.169 110 A CA 2.079 53.572 52.037 -0.907 0.000 0.635 110 A CB -0.685 17.358 19.000 -1.596 0.000 0.810 110 A HN 0.531 8.681 8.150 0.000 0.000 0.446 111 T N -6.155 108.063 114.554 -0.561 0.000 3.182 111 T HA 0.340 4.691 4.350 0.002 0.000 0.277 111 T C 0.154 174.588 174.700 -0.442 0.000 1.013 111 T CA 0.114 61.911 62.100 -0.505 0.000 0.900 111 T CB -0.665 68.221 68.868 0.029 0.000 1.098 111 T HN 0.687 8.927 8.240 0.000 0.000 0.543 112 Y N 0.893 121.158 120.300 -0.059 0.000 3.825 112 Y HA -0.258 4.293 4.550 0.002 0.000 0.221 112 Y C 1.148 176.988 175.900 -0.099 0.000 1.195 112 Y CA 0.582 58.646 58.100 -0.060 0.000 1.699 112 Y CB -3.168 35.261 38.460 -0.051 0.000 1.531 112 Y HN 0.618 8.898 8.280 0.000 0.000 0.640 113 T N -4.487 110.032 114.554 -0.057 0.000 3.228 113 T HA 0.691 5.042 4.350 0.002 0.000 0.278 113 T C 1.405 176.045 174.700 -0.100 0.000 1.014 113 T CA 0.109 62.085 62.100 -0.207 0.000 0.904 113 T CB 0.579 69.070 68.868 -0.629 0.000 1.110 113 T HN 0.515 8.755 8.240 0.000 0.000 0.541 114 A N 1.302 124.151 122.820 0.049 0.000 2.121 114 A HA 0.545 4.866 4.320 0.002 0.000 0.218 114 A C 1.851 179.533 177.584 0.163 0.000 1.154 114 A CA 0.583 52.662 52.037 0.070 0.000 0.679 114 A CB -0.892 18.139 19.000 0.052 0.000 0.795 114 A HN 1.584 9.734 8.150 0.000 0.000 0.458 115 G N -2.722 106.248 108.800 0.283 0.000 2.337 115 G HA2 0.398 4.359 3.960 0.002 0.000 0.134 115 G HA3 0.398 4.359 3.960 0.002 0.000 0.134 115 G C 0.983 176.281 174.900 0.663 0.000 1.052 115 G CA 0.289 45.695 45.100 0.510 0.000 0.737 115 G HN 2.037 10.327 8.290 0.000 0.000 0.485 116 G N -1.037 108.207 108.800 0.741 0.000 2.207 116 G HA2 -0.092 3.869 3.960 0.002 0.000 0.216 116 G HA3 -0.092 3.869 3.960 0.002 0.000 0.216 116 G C 0.423 175.691 174.900 0.614 0.000 1.053 116 G CA 0.078 45.576 45.100 0.664 0.000 0.764 116 G HN 1.349 9.639 8.290 0.000 0.000 0.495 117 L N 1.493 122.916 121.223 0.333 0.000 2.485 117 L HA 0.292 4.633 4.340 0.002 0.000 0.275 117 L C -0.832 176.152 176.870 0.190 0.000 1.207 117 L CA -1.440 53.403 54.840 0.005 0.000 0.855 117 L CB 0.426 42.370 42.059 -0.192 0.000 1.114 117 L HN 0.116 8.346 8.230 0.000 0.000 0.485 118 P HA -0.017 4.403 4.420 0.000 0.000 0.274 118 P C 0.481 177.848 177.300 0.112 0.000 1.237 118 P CA -0.575 62.639 63.100 0.190 0.000 0.793 118 P CB 1.087 32.899 31.700 0.188 0.000 0.977 119 L N 1.513 122.796 121.223 0.100 0.000 2.013 119 L HA -0.155 4.186 4.340 0.002 0.000 0.212 119 L C 0.735 177.632 176.870 0.045 0.000 1.073 119 L CA 2.130 57.017 54.840 0.079 0.000 0.753 119 L CB -1.058 41.067 42.059 0.110 0.000 0.890 119 L HN 0.452 8.682 8.230 0.000 0.000 0.432 120 Q N -1.216 118.599 119.800 0.024 0.000 2.377 120 Q HA 0.507 4.847 4.340 0.002 0.000 0.271 120 Q C -0.788 175.151 176.000 -0.101 0.000 1.077 120 Q CA -1.000 54.794 55.803 -0.016 0.000 0.820 120 Q CB 2.256 30.990 28.738 -0.007 0.000 1.347 120 Q HN -0.075 8.195 8.270 0.000 0.000 0.444 121 V N 3.850 123.669 119.914 -0.158 0.000 2.540 121 V HA 0.062 4.183 4.120 0.002 0.000 0.297 121 V C -1.740 174.164 176.094 -0.317 0.000 1.024 121 V CA -0.893 61.192 62.300 -0.359 0.000 1.105 121 V CB -0.464 31.183 31.823 -0.293 0.000 0.938 121 V HN 0.700 8.890 8.190 0.000 0.000 0.482 122 P HA -0.001 4.419 4.420 0.000 0.000 0.266 122 P C 0.541 177.738 177.300 -0.171 0.000 1.193 122 P CA 0.047 63.001 63.100 -0.245 0.000 0.770 122 P CB 0.732 32.279 31.700 -0.255 0.000 0.836 123 D N 0.293 120.636 120.400 -0.095 0.000 2.158 123 D HA -0.171 4.470 4.640 0.002 0.000 0.197 123 D C 1.053 177.318 176.300 -0.057 0.000 0.995 123 D CA 1.170 55.132 54.000 -0.062 0.000 0.846 123 D CB 0.080 40.859 40.800 -0.035 0.000 0.941 123 D HN 0.642 9.012 8.370 0.000 0.000 0.456 132 L N 1.140 122.618 121.223 0.425 0.000 2.079 132 L HA -0.122 4.219 4.340 0.002 0.000 0.210 132 L C 2.467 179.423 176.870 0.143 0.000 1.081 132 L CA 2.051 57.062 54.840 0.285 0.000 0.752 132 L CB -0.396 41.765 42.059 0.171 0.000 0.896 132 L HN 0.147 8.377 8.230 0.000 0.000 0.433 133 R N -1.328 119.262 120.500 0.151 0.000 2.082 133 R HA -0.220 4.121 4.340 0.002 0.000 0.234 133 R C 2.172 178.569 176.300 0.162 0.000 1.136 133 R CA 2.283 58.458 56.100 0.125 0.000 0.935 133 R CB -0.950 29.420 30.300 0.117 0.000 0.842 133 R HN 0.469 8.739 8.270 0.000 0.000 0.430 134 F N -0.119 119.860 119.950 0.047 0.000 2.095 134 F HA -0.270 4.260 4.527 0.004 0.000 0.298 134 F C 1.648 177.522 175.800 0.122 0.000 1.104 134 F CA 1.527 59.535 58.000 0.012 0.000 1.232 134 F CB -0.542 38.369 39.000 -0.148 0.000 0.987 134 F HN 0.042 8.342 8.300 0.000 0.000 0.475 135 Y N 0.606 120.926 120.300 0.033 0.000 2.181 135 Y HA -0.212 4.339 4.550 0.002 0.000 0.288 135 Y C 2.731 178.771 175.900 0.233 0.000 1.146 135 Y CA 1.728 59.856 58.100 0.046 0.000 1.164 135 Y CB -1.060 37.461 38.460 0.103 0.000 0.982 135 Y HN 0.144 8.424 8.280 0.000 0.000 0.515 136 Q N 0.264 120.195 119.800 0.219 0.000 2.084 136 Q HA -0.194 4.147 4.340 0.002 0.000 0.202 136 Q C 1.764 177.878 176.000 0.191 0.000 0.978 136 Q CA 1.726 57.644 55.803 0.192 0.000 0.844 136 Q CB -0.591 28.169 28.738 0.036 0.000 0.898 136 Q HN 0.671 8.941 8.270 0.000 0.000 0.426 137 N N -0.590 118.171 118.700 0.101 0.000 2.216 137 N HA -0.128 4.613 4.740 0.002 0.000 0.183 137 N C 0.281 175.795 175.510 0.007 0.000 1.017 137 N CA -0.049 53.026 53.050 0.043 0.000 0.861 137 N CB -0.128 38.385 38.487 0.044 0.000 0.986 137 N HN 0.206 8.586 8.380 0.000 0.000 0.428 138 W N 3.257 124.414 121.300 -0.239 0.000 2.343 138 W HA -0.057 4.604 4.660 0.002 0.000 0.337 138 W C -0.489 175.939 176.519 -0.151 0.000 1.320 138 W CA 0.253 57.433 57.345 -0.276 0.000 1.290 138 W CB 0.439 29.612 29.460 -0.479 0.000 1.206 138 W HN 0.049 8.229 8.180 0.000 0.000 0.565 139 Q N 8.318 127.459 119.800 -1.098 0.000 2.353 139 Q HA 0.342 4.683 4.340 0.002 0.000 0.268 139 Q C -2.221 172.730 176.000 -1.749 0.000 1.045 139 Q CA -2.074 53.026 55.803 -1.171 0.000 0.811 139 Q CB 1.744 30.122 28.738 -0.599 0.000 1.305 139 Q HN 0.361 8.631 8.270 0.000 0.000 0.447 140 P HA 0.106 4.526 4.420 0.000 0.000 0.276 140 P C -0.151 176.758 177.300 -0.651 0.000 1.235 140 P CA 0.109 62.613 63.100 -0.993 0.000 0.772 140 P CB 1.044 32.415 31.700 -0.548 0.000 0.871 141 A N 4.196 126.584 122.820 -0.720 0.000 1.968 141 A HA 0.013 4.334 4.320 0.002 0.000 0.217 141 A C 0.593 177.573 177.584 -1.005 0.000 1.169 141 A CA 0.793 52.208 52.037 -1.037 0.000 0.638 141 A CB -0.351 17.644 19.000 -1.675 0.000 0.812 141 A HN 0.618 8.768 8.150 0.000 0.000 0.446 142 W N -2.786 118.462 121.300 -0.087 0.000 2.992 142 W HA 0.665 5.325 4.660 0.001 0.000 0.342 142 W C 0.096 176.558 176.519 -0.095 0.000 1.176 142 W CA -1.277 56.021 57.345 -0.078 0.000 1.118 142 W CB 0.845 30.271 29.460 -0.057 0.000 1.457 142 W HN 0.152 8.332 8.180 0.000 0.000 0.573 143 A N 3.182 126.104 122.820 0.171 0.000 2.483 143 A HA 0.322 4.643 4.320 0.002 0.000 0.238 143 A C -1.958 175.634 177.584 0.013 0.000 1.070 143 A CA -0.750 51.321 52.037 0.056 0.000 0.770 143 A CB -0.896 18.133 19.000 0.049 0.000 1.008 143 A HN 0.152 8.302 8.150 0.000 0.000 0.497 144 P HA 0.152 4.572 4.420 0.000 0.000 0.265 144 P C 0.768 177.840 177.300 -0.381 0.000 1.193 144 P CA 1.628 64.516 63.100 -0.353 0.000 0.765 144 P CB 0.455 31.890 31.700 -0.442 0.000 0.823 145 G N 2.257 110.764 108.800 -0.487 0.000 2.160 145 G HA2 -0.251 3.710 3.960 0.002 0.000 0.244 145 G HA3 -0.251 3.710 3.960 0.002 0.000 0.244 145 G C 0.580 175.374 174.900 -0.177 0.000 1.022 145 G CA 0.620 45.596 45.100 -0.208 0.000 0.741 145 G HN 0.725 9.015 8.290 0.000 0.000 0.508 146 T N -4.589 109.823 114.554 -0.237 0.000 2.989 146 T HA 0.426 4.777 4.350 0.002 0.000 0.250 146 T C 0.631 175.150 174.700 -0.302 0.000 0.981 146 T CA 0.722 62.721 62.100 -0.168 0.000 0.980 146 T CB 0.580 69.404 68.868 -0.073 0.000 1.133 146 T HN 0.410 8.650 8.240 0.000 0.000 0.489 147 Q N 0.859 120.413 119.800 -0.410 0.000 2.323 147 Q HA 0.452 4.793 4.340 0.002 0.000 0.271 147 Q C -1.325 174.421 176.000 -0.424 0.000 1.048 147 Q CA -0.670 54.816 55.803 -0.530 0.000 0.792 147 Q CB 3.173 31.296 28.738 -1.024 0.000 1.280 147 Q HN 0.231 8.501 8.270 0.000 0.000 0.441 148 R N 2.803 123.105 120.500 -0.330 0.000 2.202 148 R HA 0.351 4.692 4.340 0.002 0.000 0.334 148 R C -1.332 174.922 176.300 -0.078 0.000 1.036 148 R CA -0.419 55.578 56.100 -0.171 0.000 0.878 148 R CB 0.354 30.596 30.300 -0.096 0.000 1.067 148 R HN 0.440 8.710 8.270 0.000 0.000 0.457 149 L N 6.383 127.623 121.223 0.029 0.000 2.388 149 L HA 0.242 4.583 4.340 0.002 0.000 0.267 149 L C -1.326 175.591 176.870 0.078 0.000 0.995 149 L CA -0.764 54.126 54.840 0.084 0.000 0.864 149 L CB 0.904 43.070 42.059 0.179 0.000 1.216 149 L HN 0.562 8.792 8.230 0.000 0.000 0.430 150 Y N 4.797 124.981 120.300 -0.193 0.000 2.865 150 Y HA 0.324 4.875 4.550 0.000 0.000 0.338 150 Y C 0.078 175.796 175.900 -0.304 0.000 1.269 150 Y CA 1.018 58.785 58.100 -0.555 0.000 1.585 150 Y CB 0.341 38.543 38.460 -0.429 0.000 1.224 150 Y HN 0.815 9.095 8.280 0.000 0.000 0.554 151 A N 5.920 128.334 122.820 -0.677 0.000 2.480 151 A HA 0.294 4.615 4.320 0.002 0.000 0.289 151 A C -0.044 177.449 177.584 -0.152 0.000 1.044 151 A CA -0.905 51.012 52.037 -0.201 0.000 0.761 151 A CB 0.747 19.773 19.000 0.043 0.000 1.289 151 A HN 0.798 8.948 8.150 0.000 0.000 0.401 152 N N 1.353 119.985 118.700 -0.113 0.000 2.120 152 N HA -0.158 4.583 4.740 0.002 0.000 0.188 152 N C 2.078 177.612 175.510 0.040 0.000 1.024 152 N CA 1.920 54.950 53.050 -0.033 0.000 0.852 152 N CB -0.200 38.283 38.487 -0.007 0.000 1.003 152 N HN 0.864 9.244 8.380 0.000 0.000 0.424 153 S N -0.532 115.212 115.700 0.073 0.000 2.469 153 S HA -0.032 4.439 4.470 0.002 0.000 0.238 153 S C 2.026 176.768 174.600 0.238 0.000 0.998 153 S CA 1.250 59.557 58.200 0.178 0.000 0.957 153 S CB -0.119 63.192 63.200 0.185 0.000 0.764 153 S HN 0.236 8.546 8.310 0.000 0.000 0.514 154 S N 0.813 116.611 115.700 0.162 0.000 2.370 154 S HA 0.275 4.746 4.470 0.002 0.000 0.214 154 S C 1.606 176.280 174.600 0.123 0.000 1.033 154 S CA 0.420 58.712 58.200 0.153 0.000 0.941 154 S CB -0.504 62.800 63.200 0.174 0.000 0.886 154 S HN 0.584 8.894 8.310 0.000 0.000 0.521 155 I N 1.196 121.835 120.570 0.116 0.000 2.676 155 I HA 0.056 4.227 4.170 0.002 0.000 0.259 155 I C 2.005 178.184 176.117 0.103 0.000 1.194 155 I CA 0.987 62.346 61.300 0.099 0.000 1.473 155 I CB -0.432 37.608 38.000 0.067 0.000 1.096 155 I HN 0.470 8.680 8.210 0.000 0.000 0.443 156 G N 0.879 109.701 108.800 0.037 0.000 2.394 156 G HA2 -0.246 3.715 3.960 0.002 0.000 0.215 156 G HA3 -0.246 3.715 3.960 0.002 0.000 0.215 156 G C 1.494 176.325 174.900 -0.115 0.000 1.165 156 G CA 0.565 45.626 45.100 -0.064 0.000 0.784 156 G HN 0.356 8.646 8.290 0.000 0.000 0.535 157 L N -0.110 121.085 121.223 -0.048 0.000 2.056 157 L HA 0.178 4.519 4.340 0.002 0.000 0.207 157 L C 2.395 179.185 176.870 -0.134 0.000 1.078 157 L CA 1.335 56.075 54.840 -0.167 0.000 0.749 157 L CB -0.842 41.078 42.059 -0.232 0.000 0.901 157 L HN 0.215 8.445 8.230 0.000 0.000 0.433 158 F N 0.611 120.484 119.950 -0.129 0.000 2.065 158 F HA -0.146 4.381 4.527 0.001 0.000 0.298 158 F C 2.186 177.921 175.800 -0.108 0.000 1.112 158 F CA 1.957 59.893 58.000 -0.107 0.000 1.212 158 F CB -1.090 37.857 39.000 -0.089 0.000 0.975 158 F HN 0.129 8.429 8.300 0.000 0.000 0.476 159 G N -0.442 108.181 108.800 -0.295 0.000 2.418 159 G HA2 -0.209 3.752 3.960 0.002 0.000 0.217 159 G HA3 -0.209 3.752 3.960 0.002 0.000 0.217 159 G C 1.830 176.569 174.900 -0.268 0.000 1.158 159 G CA 0.978 45.911 45.100 -0.278 0.000 0.771 159 G HN 0.684 8.974 8.290 0.000 0.000 0.545 160 A N 0.565 123.168 122.820 -0.361 0.000 1.902 160 A HA 0.079 4.400 4.320 0.002 0.000 0.217 160 A C 2.427 179.826 177.584 -0.307 0.000 1.181 160 A CA 1.367 53.212 52.037 -0.320 0.000 0.623 160 A CB -0.350 18.415 19.000 -0.393 0.000 0.818 160 A HN 0.368 8.518 8.150 0.000 0.000 0.443 161 L N -1.112 119.889 121.223 -0.369 0.000 2.131 161 L HA -0.066 4.275 4.340 0.002 0.000 0.206 161 L C 3.003 179.581 176.870 -0.487 0.000 1.087 161 L CA 0.809 55.435 54.840 -0.355 0.000 0.767 161 L CB -0.678 41.224 42.059 -0.262 0.000 0.917 161 L HN 0.400 8.630 8.230 0.000 0.000 0.441 162 A N 0.570 123.023 122.820 -0.612 0.000 1.978 162 A HA -0.147 4.174 4.320 0.002 0.000 0.220 162 A C 2.095 179.445 177.584 -0.390 0.000 1.170 162 A CA 1.929 53.580 52.037 -0.643 0.000 0.636 162 A CB -0.740 17.685 19.000 -0.958 0.000 0.810 162 A HN 0.361 8.511 8.150 0.000 0.000 0.448 163 V N -3.579 116.174 119.914 -0.268 0.000 3.649 163 V HA 0.104 4.225 4.120 0.002 0.000 0.275 163 V C 1.496 177.511 176.094 -0.131 0.000 1.281 163 V CA 0.767 62.965 62.300 -0.171 0.000 1.143 163 V CB -0.465 31.294 31.823 -0.107 0.000 0.892 163 V HN 0.390 8.580 8.190 0.000 0.000 0.441 164 K N 1.479 121.789 120.400 -0.150 0.000 2.097 164 K HA -0.032 4.289 4.320 0.002 0.000 0.206 164 K C -0.200 176.395 176.600 -0.007 0.000 1.049 164 K CA 1.673 57.927 56.287 -0.056 0.000 0.933 164 K CB -1.304 31.202 32.500 0.009 0.000 0.717 164 K HN 0.503 8.753 8.250 0.000 0.000 0.442 165 P HA -0.029 4.391 4.420 0.000 0.000 0.237 165 P C 1.143 178.435 177.300 -0.012 0.000 1.178 165 P CA 0.838 63.950 63.100 0.021 0.000 0.766 165 P CB 0.132 31.856 31.700 0.040 0.000 0.876 166 S N -1.297 114.376 115.700 -0.045 0.000 2.461 166 S HA 0.135 4.606 4.470 0.002 0.000 0.228 166 S C 1.719 176.296 174.600 -0.039 0.000 1.005 166 S CA 0.608 58.778 58.200 -0.051 0.000 0.942 166 S CB -1.342 61.808 63.200 -0.083 0.000 0.776 166 S HN 0.234 8.544 8.310 0.000 0.000 0.514 167 G N 0.859 109.640 108.800 -0.031 0.000 2.198 167 G HA2 -0.191 3.770 3.960 0.002 0.000 0.257 167 G HA3 -0.191 3.770 3.960 0.002 0.000 0.257 167 G C -0.310 174.569 174.900 -0.034 0.000 1.042 167 G CA 0.538 45.624 45.100 -0.025 0.000 0.791 167 G HN 0.612 8.902 8.290 0.000 0.000 0.502 168 L N -0.231 120.964 121.223 -0.047 0.000 2.465 168 L HA 0.653 4.994 4.340 0.002 0.000 0.257 168 L C 0.833 177.670 176.870 -0.055 0.000 0.988 168 L CA -0.663 54.144 54.840 -0.056 0.000 0.827 168 L CB 2.070 44.081 42.059 -0.080 0.000 1.397 168 L HN 0.361 8.591 8.230 0.000 0.000 0.410 169 S N -0.020 115.653 115.700 -0.044 0.000 2.589 169 S HA 0.154 4.625 4.470 0.002 0.000 0.265 169 S C 0.860 175.447 174.600 -0.022 0.000 1.342 169 S CA -0.219 57.970 58.200 -0.018 0.000 1.005 169 S CB 0.577 63.773 63.200 -0.007 0.000 0.909 169 S HN 0.572 8.882 8.310 0.000 0.000 0.555 170 F N 1.159 121.038 119.950 -0.118 0.000 2.095 170 F HA -0.094 4.434 4.527 0.002 0.000 0.298 170 F C 2.497 178.214 175.800 -0.138 0.000 1.104 170 F CA 2.241 60.158 58.000 -0.139 0.000 1.232 170 F CB -0.450 38.465 39.000 -0.142 0.000 0.987 170 F HN 0.958 9.258 8.300 0.000 0.000 0.475 171 E N -0.340 119.895 120.200 0.058 0.000 2.049 171 E HA -0.297 4.054 4.350 0.002 0.000 0.198 171 E C 2.243 178.755 176.600 -0.148 0.000 1.007 171 E CA 1.702 58.083 56.400 -0.031 0.000 0.809 171 E CB -0.185 29.537 29.700 0.037 0.000 0.749 171 E HN 0.409 8.769 8.360 0.000 0.000 0.450 172 Q N -0.099 119.633 119.800 -0.112 0.000 2.084 172 Q HA -0.164 4.177 4.340 0.002 0.000 0.202 172 Q C 2.134 178.021 176.000 -0.189 0.000 0.978 172 Q CA 1.490 57.221 55.803 -0.119 0.000 0.844 172 Q CB -0.527 28.164 28.738 -0.079 0.000 0.898 172 Q HN 0.408 8.678 8.270 0.000 0.000 0.426 173 A N 0.674 123.346 122.820 -0.246 0.000 1.865 173 A HA -0.228 4.093 4.320 0.002 0.000 0.217 173 A C 2.168 179.513 177.584 -0.399 0.000 1.191 173 A CA 1.991 53.853 52.037 -0.291 0.000 0.623 173 A CB -0.556 18.250 19.000 -0.323 0.000 0.826 173 A HN 0.350 8.500 8.150 0.000 0.000 0.444 174 M N -0.227 119.013 119.600 -0.600 0.000 2.080 174 M HA -0.221 4.260 4.480 0.002 0.000 0.260 174 M C 2.172 177.978 176.300 -0.822 0.000 1.068 174 M CA 2.126 56.955 55.300 -0.785 0.000 1.109 174 M CB -0.627 31.390 32.600 -0.970 0.000 1.342 174 M HN 0.542 8.832 8.290 0.000 0.000 0.405 175 Q N -1.244 118.221 119.800 -0.559 0.000 2.050 175 Q HA -0.163 4.177 4.340 0.002 0.000 0.202 175 Q C 1.971 177.896 176.000 -0.124 0.000 0.980 175 Q CA 2.400 58.044 55.803 -0.264 0.000 0.840 175 Q CB -0.377 28.345 28.738 -0.027 0.000 0.898 175 Q HN 0.787 9.057 8.270 0.000 0.000 0.424 176 T N -2.012 112.464 114.554 -0.129 0.000 2.978 176 T HA 0.020 4.371 4.350 0.002 0.000 0.262 176 T C 1.685 176.346 174.700 -0.065 0.000 1.063 176 T CA 0.504 62.563 62.100 -0.068 0.000 1.140 176 T CB 0.031 68.864 68.868 -0.060 0.000 0.886 176 T HN 0.126 8.366 8.240 0.000 0.000 0.470 177 R N 0.019 120.451 120.500 -0.113 0.000 2.237 177 R HA 0.356 4.697 4.340 0.002 0.000 0.195 177 R C 1.702 177.987 176.300 -0.026 0.000 0.956 177 R CA 0.318 56.375 56.100 -0.072 0.000 1.029 177 R CB 0.274 30.517 30.300 -0.096 0.000 0.972 177 R HN 0.296 8.566 8.270 0.000 0.000 0.493 178 V N -0.886 118.992 119.914 -0.059 0.000 3.134 178 V HA 0.019 4.140 4.120 0.002 0.000 0.222 178 V C 1.483 177.713 176.094 0.227 0.000 1.247 178 V CA 0.480 62.831 62.300 0.084 0.000 1.281 178 V CB -0.381 31.474 31.823 0.054 0.000 1.169 178 V HN -0.027 8.163 8.190 0.000 0.000 0.512 179 F N 1.533 121.483 119.950 -0.000 0.000 2.069 179 F HA -0.181 4.347 4.527 0.001 0.000 0.298 179 F C 2.638 178.428 175.800 -0.016 0.000 1.113 179 F CA 1.590 59.565 58.000 -0.042 0.000 1.214 179 F CB -1.304 37.618 39.000 -0.129 0.000 0.978 179 F HN 0.208 8.508 8.300 0.000 0.000 0.474 180 Q N -0.249 119.661 119.800 0.184 0.000 2.020 180 Q HA -0.161 4.180 4.340 0.002 0.000 0.202 180 Q C -0.260 175.789 176.000 0.081 0.000 0.982 180 Q CA 1.862 57.724 55.803 0.100 0.000 0.838 180 Q CB -1.519 27.258 28.738 0.065 0.000 0.899 180 Q HN 0.274 8.544 8.270 0.000 0.000 0.423 181 P HA -0.139 4.281 4.420 0.000 0.000 0.220 181 P C 0.670 178.022 177.300 0.087 0.000 1.148 181 P CA 1.186 64.328 63.100 0.070 0.000 0.803 181 P CB 0.060 31.799 31.700 0.065 0.000 0.782 182 L N -1.414 119.889 121.223 0.134 0.000 2.592 182 L HA 0.151 4.492 4.340 0.002 0.000 0.227 182 L C 0.328 177.264 176.870 0.110 0.000 1.127 182 L CA 0.072 55.001 54.840 0.149 0.000 0.884 182 L CB -0.675 41.544 42.059 0.265 0.000 1.065 182 L HN -0.051 8.179 8.230 0.000 0.000 0.457 183 K N 0.763 121.210 120.400 0.078 0.000 3.077 183 K HA -0.175 4.146 4.320 0.002 0.000 0.264 183 K C -0.284 176.317 176.600 0.003 0.000 1.008 183 K CA 0.378 56.685 56.287 0.033 0.000 0.740 183 K CB -1.811 30.705 32.500 0.026 0.000 1.273 183 K HN 0.314 8.564 8.250 0.000 0.000 0.477 184 L N 1.490 122.705 121.223 -0.013 0.000 2.387 184 L HA 0.103 4.444 4.340 0.002 0.000 0.267 184 L C 1.224 177.904 176.870 -0.316 0.000 1.197 184 L CA -0.568 54.185 54.840 -0.145 0.000 1.070 184 L CB 0.010 41.944 42.059 -0.208 0.000 1.349 184 L HN 0.226 8.456 8.230 0.000 0.000 0.422 185 N N 0.315 118.846 118.700 -0.281 0.000 2.331 185 N HA -0.117 4.624 4.740 0.002 0.000 0.180 185 N C 0.543 175.558 175.510 -0.823 0.000 1.019 185 N CA 1.127 53.908 53.050 -0.448 0.000 0.881 185 N CB 0.011 38.245 38.487 -0.422 0.000 0.972 185 N HN 0.611 8.991 8.380 0.000 0.000 0.435 186 H N -0.741 117.983 119.070 -0.576 0.000 2.505 186 H HA 0.383 4.940 4.556 0.001 0.000 0.260 186 H C -0.568 174.047 175.328 -1.187 0.000 1.232 186 H CA -0.243 55.339 56.048 -0.777 0.000 0.991 186 H CB 0.126 29.700 29.762 -0.313 0.000 1.729 186 H HN -0.157 8.123 8.280 0.000 0.000 0.561 187 T N 0.714 114.328 114.554 -1.566 0.000 2.812 187 T HA 0.322 4.673 4.350 0.002 0.000 0.282 187 T C -0.885 172.969 174.700 -1.410 0.000 0.990 187 T CA -0.683 60.560 62.100 -1.429 0.000 0.960 187 T CB 0.922 68.912 68.868 -1.464 0.000 0.948 187 T HN 0.363 8.603 8.240 0.000 0.000 0.438 188 W N 3.311 124.414 121.300 -0.328 0.000 2.819 188 W HA 0.704 5.364 4.660 -0.000 0.000 0.337 188 W C -0.916 175.595 176.519 -0.013 0.000 1.077 188 W CA -1.246 56.041 57.345 -0.096 0.000 1.226 188 W CB 0.986 30.412 29.460 -0.058 0.000 1.419 188 W HN 0.423 8.603 8.180 0.000 0.000 0.502 189 I N 1.141 121.931 120.570 0.366 0.000 2.474 189 I HA 0.373 4.543 4.170 0.002 0.000 0.294 189 I C -0.648 175.571 176.117 0.170 0.000 1.005 189 I CA -1.091 60.340 61.300 0.218 0.000 1.113 189 I CB 1.668 39.786 38.000 0.197 0.000 1.289 189 I HN 0.481 8.691 8.210 0.000 0.000 0.436 190 N N 4.300 123.066 118.700 0.109 0.000 2.564 190 N HA 0.574 5.315 4.740 0.002 0.000 0.248 190 N C -1.553 173.985 175.510 0.047 0.000 0.986 190 N CA -0.407 52.682 53.050 0.064 0.000 0.921 190 N CB 1.058 39.568 38.487 0.040 0.000 1.136 190 N HN 0.452 8.832 8.380 0.000 0.000 0.509 191 V N 4.530 124.474 119.914 0.050 0.000 2.398 191 V HA 0.414 4.535 4.120 0.002 0.000 0.286 191 V C -1.313 174.784 176.094 0.007 0.000 1.026 191 V CA -1.253 61.064 62.300 0.028 0.000 0.868 191 V CB 1.010 32.878 31.823 0.075 0.000 0.982 191 V HN 0.661 8.851 8.190 0.000 0.000 0.443 223 V N 2.295 122.168 119.914 -0.068 0.000 2.472 223 V HA 0.570 4.691 4.120 0.002 0.000 0.290 223 V C -0.405 175.626 176.094 -0.105 0.000 1.037 223 V CA -0.498 61.734 62.300 -0.114 0.000 0.908 223 V CB 1.433 33.086 31.823 -0.284 0.000 0.985 223 V HN 0.370 8.560 8.190 0.000 0.000 0.454 224 K N 2.422 122.773 120.400 -0.082 0.000 2.221 224 K HA 0.781 5.102 4.320 0.002 0.000 0.258 224 K C -0.488 176.016 176.600 -0.160 0.000 0.944 224 K CA -0.345 55.919 56.287 -0.039 0.000 0.823 224 K CB 2.072 34.609 32.500 0.062 0.000 1.113 224 K HN 0.686 8.936 8.250 0.000 0.000 0.431 225 S N 0.449 116.097 115.700 -0.086 0.000 2.705 225 S HA 0.513 4.984 4.470 0.002 0.000 0.280 225 S C -1.197 173.419 174.600 0.025 0.000 1.174 225 S CA -0.631 57.474 58.200 -0.158 0.000 0.823 225 S CB 1.555 64.618 63.200 -0.228 0.000 1.162 225 S HN 0.671 8.981 8.310 0.000 0.000 0.487 226 T N -0.124 114.420 114.554 -0.016 0.000 2.950 226 T HA 0.551 4.902 4.350 0.002 0.000 0.288 226 T C 1.147 175.892 174.700 0.076 0.000 1.035 226 T CA -0.588 61.550 62.100 0.064 0.000 1.028 226 T CB 0.993 69.818 68.868 -0.071 0.000 1.109 226 T HN 0.399 8.639 8.240 0.000 0.000 0.514 227 I N 0.859 121.491 120.570 0.102 0.000 2.361 227 I HA -0.069 4.102 4.170 0.002 0.000 0.251 227 I C 2.346 178.563 176.117 0.166 0.000 1.133 227 I CA 1.533 62.912 61.300 0.131 0.000 1.413 227 I CB -0.560 37.540 38.000 0.166 0.000 1.073 227 I HN 0.846 9.056 8.210 0.000 0.000 0.424 228 E N -0.087 120.101 120.200 -0.020 0.000 2.077 228 E HA -0.229 4.122 4.350 0.002 0.000 0.193 228 E C 1.713 178.373 176.600 0.099 0.000 0.989 228 E CA 1.459 57.850 56.400 -0.015 0.000 0.800 228 E CB -0.116 29.450 29.700 -0.224 0.000 0.746 228 E HN 0.490 8.850 8.360 0.000 0.000 0.452 229 D N 0.004 120.431 120.400 0.046 0.000 2.117 229 D HA -0.103 4.538 4.640 0.002 0.000 0.198 229 D C 1.857 178.247 176.300 0.150 0.000 0.982 229 D CA 0.886 54.916 54.000 0.049 0.000 0.828 229 D CB -0.011 40.740 40.800 -0.082 0.000 0.967 229 D HN 0.070 8.440 8.370 0.000 0.000 0.464 230 M N 0.418 120.118 119.600 0.165 0.000 2.213 230 M HA -0.026 4.455 4.480 0.002 0.000 0.263 230 M C 2.216 178.675 176.300 0.265 0.000 1.062 230 M CA 0.665 56.123 55.300 0.264 0.000 1.105 230 M CB -1.029 31.702 32.600 0.217 0.000 1.385 230 M HN -0.028 8.262 8.290 0.000 0.000 0.417 231 A N 0.101 123.053 122.820 0.220 0.000 1.902 231 A HA -0.207 4.114 4.320 0.002 0.000 0.217 231 A C 2.380 180.022 177.584 0.097 0.000 1.181 231 A CA 2.014 54.142 52.037 0.152 0.000 0.623 231 A CB -0.707 18.419 19.000 0.209 0.000 0.818 231 A HN 0.464 8.614 8.150 0.000 0.000 0.443 232 R N -1.420 119.165 120.500 0.142 0.000 2.092 232 R HA -0.148 4.193 4.340 0.002 0.000 0.231 232 R C 2.136 178.523 176.300 0.145 0.000 1.119 232 R CA 1.424 57.590 56.100 0.111 0.000 0.970 232 R CB -0.378 29.996 30.300 0.123 0.000 0.864 232 R HN 0.830 9.100 8.270 0.000 0.000 0.440 233 W N 0.337 121.646 121.300 0.014 0.000 2.358 233 W HA -0.193 4.469 4.660 0.003 0.000 0.303 233 W C 1.382 177.825 176.519 -0.127 0.000 1.208 233 W CA 1.234 58.581 57.345 0.002 0.000 1.274 233 W CB -0.113 29.400 29.460 0.089 0.000 1.138 233 W HN -0.028 8.152 8.180 0.000 0.000 0.515 234 V N 2.278 122.109 119.914 -0.138 0.000 2.295 234 V HA -0.390 3.731 4.120 0.002 0.000 0.246 234 V C 2.681 178.431 176.094 -0.572 0.000 1.049 234 V CA 2.668 64.680 62.300 -0.479 0.000 1.024 234 V CB -1.165 30.512 31.823 -0.243 0.000 0.648 234 V HN 0.390 8.580 8.190 0.000 0.000 0.447 235 Q N 0.016 119.631 119.800 -0.309 0.000 2.135 235 Q HA -0.213 4.128 4.340 0.002 0.000 0.204 235 Q C 2.139 177.946 176.000 -0.323 0.000 0.981 235 Q CA 2.389 58.025 55.803 -0.278 0.000 0.856 235 Q CB -0.615 28.032 28.738 -0.153 0.000 0.902 235 Q HN 0.564 8.834 8.270 0.000 0.000 0.425 236 S N 1.505 117.021 115.700 -0.307 0.000 2.368 236 S HA -0.064 4.407 4.470 0.002 0.000 0.224 236 S C 1.653 175.992 174.600 -0.436 0.000 1.029 236 S CA 1.177 59.206 58.200 -0.286 0.000 0.988 236 S CB -0.256 62.841 63.200 -0.172 0.000 0.838 236 S HN 0.459 8.769 8.310 0.000 0.000 0.462 237 N N 1.163 119.427 118.700 -0.726 0.000 2.409 237 N HA 0.112 4.853 4.740 0.002 0.000 0.179 237 N C 1.581 176.596 175.510 -0.826 0.000 1.032 237 N CA 0.511 53.043 53.050 -0.863 0.000 0.898 237 N CB -0.143 37.573 38.487 -1.285 0.000 0.971 237 N HN 0.331 8.711 8.380 0.000 0.000 0.441 238 L N 0.312 121.031 121.223 -0.839 0.000 2.109 238 L HA -0.019 4.322 4.340 0.002 0.000 0.207 238 L C 1.101 177.806 176.870 -0.275 0.000 1.086 238 L CA 1.039 55.578 54.840 -0.501 0.000 0.760 238 L CB 0.131 41.935 42.059 -0.425 0.000 0.910 238 L HN -0.063 8.167 8.230 0.000 0.000 0.437 239 K N -0.891 119.349 120.400 -0.267 0.000 2.954 239 K HA 0.202 4.522 4.320 0.002 0.000 0.171 239 K C -1.982 174.525 176.600 -0.155 0.000 1.079 239 K CA -1.396 54.785 56.287 -0.177 0.000 0.908 239 K CB 1.097 33.507 32.500 -0.151 0.000 1.142 239 K HN -0.185 8.065 8.250 0.000 0.000 0.613 240 P HA -0.182 4.238 4.420 0.000 0.000 0.218 240 P C 0.762 178.015 177.300 -0.078 0.000 1.146 240 P CA 1.031 64.062 63.100 -0.115 0.000 0.813 240 P CB 0.210 31.851 31.700 -0.098 0.000 0.778 241 L N -0.930 120.248 121.223 -0.075 0.000 2.275 241 L HA -0.124 4.217 4.340 0.002 0.000 0.215 241 L C 1.575 178.415 176.870 -0.051 0.000 1.119 241 L CA 1.209 56.016 54.840 -0.056 0.000 0.790 241 L CB -0.784 41.242 42.059 -0.055 0.000 0.919 241 L HN -0.078 8.152 8.230 0.000 0.000 0.443 242 D N -0.118 120.246 120.400 -0.060 0.000 2.347 242 D HA 0.061 4.702 4.640 0.002 0.000 0.213 242 D C 0.552 176.829 176.300 -0.039 0.000 0.985 242 D CA 0.523 54.493 54.000 -0.050 0.000 0.879 242 D CB 0.112 40.876 40.800 -0.059 0.000 0.919 242 D HN 0.129 8.499 8.370 0.000 0.000 0.526 243 I N 1.773 122.318 120.570 -0.041 0.000 2.471 243 I HA -0.017 4.154 4.170 0.002 0.000 0.286 243 I C 1.475 177.584 176.117 -0.014 0.000 1.079 243 I CA 0.044 61.331 61.300 -0.023 0.000 1.398 243 I CB 0.696 38.683 38.000 -0.021 0.000 1.403 243 I HN -0.188 8.022 8.210 0.000 0.000 0.530 244 N N 3.550 122.246 118.700 -0.006 0.000 2.333 244 N HA -0.038 4.703 4.740 0.002 0.000 0.178 244 N C 0.132 175.642 175.510 0.000 0.000 1.018 244 N CA 0.418 53.465 53.050 -0.005 0.000 0.882 244 N CB 0.051 38.536 38.487 -0.003 0.000 0.984 244 N HN 0.527 8.907 8.380 0.000 0.000 0.434 245 E N 1.398 121.602 120.200 0.007 0.000 2.406 245 E HA 0.029 4.380 4.350 0.002 0.000 0.258 245 E C 0.854 177.459 176.600 0.007 0.000 1.043 245 E CA 0.194 56.600 56.400 0.009 0.000 0.929 245 E CB 0.726 30.436 29.700 0.018 0.000 0.969 245 E HN 0.104 8.464 8.360 0.000 0.000 0.462 246 K N 1.353 121.756 120.400 0.004 0.000 2.057 246 K HA -0.154 4.167 4.320 0.002 0.000 0.207 246 K C 1.947 178.552 176.600 0.007 0.000 1.049 246 K CA 1.802 58.090 56.287 0.003 0.000 0.931 246 K CB -0.050 32.451 32.500 0.001 0.000 0.714 246 K HN 0.641 8.891 8.250 0.000 0.000 0.440 247 T N -0.104 114.456 114.554 0.011 0.000 2.904 247 T HA -0.095 4.256 4.350 0.002 0.000 0.267 247 T C 1.844 176.559 174.700 0.025 0.000 1.059 247 T CA 0.634 62.743 62.100 0.016 0.000 1.137 247 T CB -0.177 68.699 68.868 0.013 0.000 0.879 247 T HN 0.028 8.268 8.240 0.000 0.000 0.467 248 L N 1.301 122.540 121.223 0.027 0.000 2.093 248 L HA 0.071 4.412 4.340 0.002 0.000 0.208 248 L C 2.819 179.708 176.870 0.031 0.000 1.085 248 L CA 1.822 56.687 54.840 0.042 0.000 0.755 248 L CB -0.974 41.115 42.059 0.052 0.000 0.904 248 L HN 0.420 8.650 8.230 0.000 0.000 0.435 249 Q N -1.336 118.472 119.800 0.012 0.000 2.050 249 Q HA -0.254 4.087 4.340 0.002 0.000 0.202 249 Q C 2.064 178.062 176.000 -0.002 0.000 0.980 249 Q CA 1.735 57.534 55.803 -0.006 0.000 0.840 249 Q CB -0.102 28.629 28.738 -0.013 0.000 0.898 249 Q HN 0.524 8.794 8.270 0.000 0.000 0.424 250 Q N -0.351 119.454 119.800 0.009 0.000 2.119 250 Q HA -0.082 4.259 4.340 0.002 0.000 0.201 250 Q C 2.055 178.078 176.000 0.038 0.000 0.972 250 Q CA 1.496 57.309 55.803 0.017 0.000 0.847 250 Q CB -0.633 28.117 28.738 0.019 0.000 0.903 250 Q HN 0.572 8.842 8.270 0.000 0.000 0.433 251 G N 0.986 109.816 108.800 0.050 0.000 2.421 251 G HA2 -0.209 3.751 3.960 0.002 0.000 0.216 251 G HA3 -0.209 3.751 3.960 0.002 0.000 0.216 251 G C 1.603 176.561 174.900 0.097 0.000 1.171 251 G CA 0.683 45.831 45.100 0.081 0.000 0.775 251 G HN 0.313 8.603 8.290 0.000 0.000 0.543 252 I N 0.198 120.806 120.570 0.063 0.000 2.163 252 I HA -0.237 3.934 4.170 0.002 0.000 0.243 252 I C 3.063 179.201 176.117 0.034 0.000 1.085 252 I CA 1.200 62.519 61.300 0.033 0.000 1.347 252 I CB -0.288 37.672 38.000 -0.065 0.000 1.044 252 I HN 0.171 8.381 8.210 0.000 0.000 0.408 253 Q N 0.505 120.312 119.800 0.012 0.000 2.096 253 Q HA -0.176 4.165 4.340 0.002 0.000 0.204 253 Q C 2.408 178.436 176.000 0.045 0.000 0.982 253 Q CA 1.506 57.313 55.803 0.005 0.000 0.850 253 Q CB -0.272 28.457 28.738 -0.014 0.000 0.901 253 Q HN 0.570 8.840 8.270 0.000 0.000 0.422 254 L N -0.107 121.166 121.223 0.083 0.000 2.201 254 L HA -0.115 4.225 4.340 0.002 0.000 0.212 254 L C 2.321 179.341 176.870 0.251 0.000 1.105 254 L CA 0.743 55.668 54.840 0.141 0.000 0.775 254 L CB -0.443 41.706 42.059 0.150 0.000 0.913 254 L HN 0.104 8.334 8.230 0.000 0.000 0.440 255 A N -0.730 122.233 122.820 0.238 0.000 2.066 255 A HA -0.147 4.174 4.320 0.002 0.000 0.218 255 A C 2.047 179.858 177.584 0.379 0.000 1.157 255 A CA 0.958 53.191 52.037 0.326 0.000 0.670 255 A CB -0.175 19.049 19.000 0.372 0.000 0.804 255 A HN 0.464 8.614 8.150 0.000 0.000 0.453 256 Q N 0.108 120.047 119.800 0.230 0.000 2.280 256 Q HA 0.195 4.536 4.340 0.002 0.000 0.201 256 Q C -0.014 176.026 176.000 0.067 0.000 0.890 256 Q CA -0.329 55.555 55.803 0.135 0.000 0.947 256 Q CB 0.381 29.113 28.738 -0.010 0.000 1.081 256 Q HN 0.482 8.752 8.270 0.000 0.000 0.502 257 S N 0.996 116.728 115.700 0.054 0.000 2.573 257 S HA 0.147 4.618 4.470 0.002 0.000 0.277 257 S C 0.138 174.595 174.600 -0.237 0.000 1.346 257 S CA 0.041 58.116 58.200 -0.208 0.000 1.034 257 S CB 0.490 63.395 63.200 -0.491 0.000 0.879 257 S HN 0.241 8.551 8.310 0.000 0.000 0.528 258 R N 1.461 121.774 120.500 -0.312 0.000 2.215 258 R HA 0.247 4.588 4.340 0.002 0.000 0.337 258 R C -0.328 175.837 176.300 -0.225 0.000 1.010 258 R CA -0.136 55.896 56.100 -0.113 0.000 0.871 258 R CB 0.437 30.651 30.300 -0.144 0.000 1.134 258 R HN 0.691 8.961 8.270 0.000 0.000 0.477 259 Y N 0.637 120.925 120.300 -0.020 0.000 2.389 259 Y HA 0.120 4.671 4.550 0.002 0.000 0.292 259 Y C 0.199 175.757 175.900 -0.571 0.000 1.117 259 Y CA 0.410 58.326 58.100 -0.307 0.000 1.195 259 Y CB 0.526 38.815 38.460 -0.285 0.000 1.076 259 Y HN 0.441 8.721 8.280 0.000 0.000 0.548 260 W N -0.230 121.243 121.300 0.288 0.000 3.107 260 W HA 0.559 5.220 4.660 0.002 0.000 0.331 260 W C -0.904 175.720 176.519 0.175 0.000 1.204 260 W CA -0.961 56.503 57.345 0.197 0.000 1.184 260 W CB 1.169 30.726 29.460 0.161 0.000 1.421 260 W HN -0.462 7.718 8.180 0.000 0.000 0.544 261 Q N 1.500 121.498 119.800 0.330 0.000 2.337 261 Q HA 0.592 4.933 4.340 0.002 0.000 0.270 261 Q C -1.319 174.703 176.000 0.036 0.000 1.043 261 Q CA -0.415 55.419 55.803 0.051 0.000 0.794 261 Q CB 2.414 31.127 28.738 -0.042 0.000 1.281 261 Q HN 0.454 8.724 8.270 0.000 0.000 0.446 262 T N 2.738 117.265 114.554 -0.044 0.000 2.949 262 T HA 0.603 4.954 4.350 0.002 0.000 0.300 262 T C 0.405 175.055 174.700 -0.083 0.000 0.988 262 T CA 0.785 62.861 62.100 -0.040 0.000 0.993 262 T CB 0.709 69.571 68.868 -0.011 0.000 0.984 262 T HN 1.001 9.241 8.240 0.000 0.000 0.442 263 G N 5.315 114.067 108.800 -0.081 0.000 2.596 263 G HA2 -0.279 3.682 3.960 0.002 0.000 0.304 263 G HA3 -0.279 3.682 3.960 0.002 0.000 0.304 263 G C 0.406 175.227 174.900 -0.132 0.000 1.189 263 G CA 0.719 45.770 45.100 -0.081 0.000 0.986 263 G HN 0.678 8.968 8.290 0.000 0.000 0.548 264 D N 1.110 121.447 120.400 -0.105 0.000 2.339 264 D HA 0.257 4.898 4.640 0.002 0.000 0.217 264 D C 1.377 177.591 176.300 -0.143 0.000 1.050 264 D CA 1.033 54.972 54.000 -0.103 0.000 0.856 264 D CB 0.109 40.888 40.800 -0.035 0.000 0.922 264 D HN 0.634 9.004 8.370 0.000 0.000 0.518 265 M N -0.457 119.049 119.600 -0.157 0.000 2.367 265 M HA 0.489 4.970 4.480 0.002 0.000 0.339 265 M C -1.431 174.742 176.300 -0.211 0.000 1.177 265 M CA -0.425 54.851 55.300 -0.040 0.000 1.068 265 M CB 1.325 33.987 32.600 0.103 0.000 1.602 265 M HN -0.258 8.032 8.290 0.000 0.000 0.457 266 Y N 0.792 121.212 120.300 0.200 0.000 2.409 266 Y HA 0.548 5.099 4.550 0.001 0.000 0.343 266 Y C -0.603 175.463 175.900 0.277 0.000 0.973 266 Y CA -0.688 57.541 58.100 0.215 0.000 1.064 266 Y CB 1.863 40.419 38.460 0.160 0.000 1.207 266 Y HN 0.685 8.965 8.280 0.000 0.000 0.452 267 Q N 1.837 121.924 119.800 0.477 0.000 2.274 267 Q HA 0.565 4.906 4.340 0.002 0.000 0.256 267 Q C -0.012 176.286 176.000 0.496 0.000 0.927 267 Q CA -0.216 55.866 55.803 0.465 0.000 0.939 267 Q CB 1.234 30.268 28.738 0.492 0.000 1.201 267 Q HN 0.891 9.162 8.270 0.000 0.000 0.426 268 G N 2.789 111.848 108.800 0.431 0.000 2.641 268 G HA2 0.484 4.445 3.960 0.002 0.000 0.239 268 G HA3 0.484 4.445 3.960 0.002 0.000 0.239 268 G C -0.904 174.119 174.900 0.205 0.000 1.402 268 G CA -0.834 44.534 45.100 0.448 0.000 1.046 268 G HN 0.607 8.897 8.290 0.000 0.000 0.565 269 L N 1.126 122.445 121.223 0.159 0.000 2.270 269 L HA 0.445 4.786 4.340 0.002 0.000 0.286 269 L C 1.417 178.303 176.870 0.027 0.000 1.059 269 L CA 0.373 55.185 54.840 -0.046 0.000 0.839 269 L CB 0.429 42.453 42.059 -0.058 0.000 1.221 269 L HN 1.035 9.265 8.230 0.000 0.000 0.431 270 G N 2.228 111.013 108.800 -0.024 0.000 4.148 270 G HA2 -0.313 3.648 3.960 0.002 0.000 0.221 270 G HA3 -0.313 3.648 3.960 0.002 0.000 0.221 270 G C 0.040 174.943 174.900 0.006 0.000 1.373 270 G CA -0.063 45.011 45.100 -0.043 0.000 0.940 270 G HN 0.533 8.823 8.290 0.000 0.000 0.610 271 W N 2.378 123.781 121.300 0.172 0.000 2.148 271 W HA 0.556 5.218 4.660 0.003 0.000 0.347 271 W C 0.850 177.489 176.519 0.201 0.000 1.288 271 W CA -0.098 57.344 57.345 0.161 0.000 1.252 271 W CB 0.351 29.887 29.460 0.126 0.000 1.156 271 W HN 0.386 8.566 8.180 0.000 0.000 0.580 272 E N 1.282 121.795 120.200 0.522 0.000 2.277 272 E HA 0.622 4.973 4.350 0.002 0.000 0.266 272 E C -0.904 175.996 176.600 0.499 0.000 0.901 272 E CA -1.195 55.490 56.400 0.474 0.000 0.782 272 E CB 1.869 31.825 29.700 0.427 0.000 1.228 272 E HN 0.177 8.537 8.360 0.000 0.000 0.424 273 M N 1.596 121.457 119.600 0.436 0.000 2.550 273 M HA 0.494 4.975 4.480 0.002 0.000 0.292 273 M C -1.612 174.942 176.300 0.424 0.000 1.221 273 M CA -0.367 55.141 55.300 0.347 0.000 0.873 273 M CB 1.816 34.543 32.600 0.212 0.000 1.727 273 M HN 0.317 8.607 8.290 0.000 0.000 0.459 274 L N 0.456 121.900 121.223 0.370 0.000 2.393 274 L HA 0.539 4.880 4.340 0.002 0.000 0.260 274 L C -0.855 176.212 176.870 0.328 0.000 1.002 274 L CA -0.721 54.339 54.840 0.367 0.000 0.818 274 L CB 1.935 44.129 42.059 0.225 0.000 1.369 274 L HN 0.547 8.777 8.230 0.000 0.000 0.412 275 D N 1.022 121.608 120.400 0.309 0.000 2.455 275 D HA -0.047 4.594 4.640 0.002 0.000 0.241 275 D C -0.884 175.579 176.300 0.272 0.000 1.138 275 D CA 0.323 54.457 54.000 0.223 0.000 0.877 275 D CB 1.052 41.954 40.800 0.171 0.000 1.187 275 D HN 0.368 8.738 8.370 0.000 0.000 0.451 276 W N 3.574 124.925 121.300 0.084 0.000 2.469 276 W HA 0.324 4.985 4.660 0.002 0.000 0.320 276 W C -2.500 174.058 176.519 0.065 0.000 1.086 276 W CA -1.896 55.507 57.345 0.098 0.000 1.211 276 W CB 1.217 30.741 29.460 0.106 0.000 1.298 276 W HN 0.199 8.379 8.180 0.000 0.000 0.525 277 P HA 0.274 4.694 4.420 0.000 0.000 0.278 277 P C -0.903 176.101 177.300 -0.494 0.000 1.238 277 P CA -0.156 62.183 63.100 -1.268 0.000 0.794 277 P CB 1.417 32.515 31.700 -1.004 0.000 0.955 278 V N -0.491 119.198 119.914 -0.374 0.000 3.007 278 V HA 0.560 4.681 4.120 0.002 0.000 0.311 278 V C -0.503 175.528 176.094 -0.104 0.000 1.120 278 V CA -1.023 61.188 62.300 -0.148 0.000 0.980 278 V CB 2.213 33.990 31.823 -0.076 0.000 1.033 278 V HN 0.336 8.526 8.190 0.000 0.000 0.429 279 N N 2.416 120.979 118.700 -0.229 0.000 2.524 279 N HA 0.430 5.171 4.740 0.002 0.000 0.283 279 N C -1.927 173.217 175.510 -0.609 0.000 1.142 279 N CA -1.818 50.954 53.050 -0.463 0.000 0.984 279 N CB 1.890 40.158 38.487 -0.365 0.000 1.155 279 N HN 0.419 8.799 8.380 0.000 0.000 0.467 280 P HA -0.143 4.277 4.420 0.000 0.000 0.216 280 P C 0.584 177.648 177.300 -0.395 0.000 1.150 280 P CA 1.274 63.964 63.100 -0.685 0.000 0.843 280 P CB 0.395 31.683 31.700 -0.687 0.000 0.787 281 D N -0.693 119.494 120.400 -0.355 0.000 2.149 281 D HA -0.127 4.514 4.640 0.002 0.000 0.198 281 D C 2.042 178.233 176.300 -0.181 0.000 0.990 281 D CA 1.894 55.757 54.000 -0.228 0.000 0.839 281 D CB -0.451 40.227 40.800 -0.202 0.000 0.948 281 D HN 0.273 8.643 8.370 0.000 0.000 0.460 282 S N -0.028 115.552 115.700 -0.200 0.000 2.436 282 S HA -0.027 4.444 4.470 0.002 0.000 0.228 282 S C 2.246 176.768 174.600 -0.131 0.000 1.014 282 S CA 0.169 58.282 58.200 -0.145 0.000 0.950 282 S CB -0.392 62.727 63.200 -0.135 0.000 0.784 282 S HN 0.225 8.535 8.310 0.000 0.000 0.504 283 I N 2.842 123.294 120.570 -0.197 0.000 2.202 283 I HA -0.031 4.140 4.170 0.002 0.000 0.242 283 I C 1.629 177.736 176.117 -0.017 0.000 1.091 283 I CA 0.743 61.941 61.300 -0.169 0.000 1.368 283 I CB -0.540 37.235 38.000 -0.375 0.000 1.058 283 I HN 0.417 8.627 8.210 0.000 0.000 0.410 292 A N 0.261 123.072 122.820 -0.015 0.000 2.525 292 A HA 0.749 5.070 4.320 0.002 0.000 0.291 292 A C -0.630 176.955 177.584 0.002 0.000 1.268 292 A CA -0.636 51.397 52.037 -0.006 0.000 0.712 292 A CB 0.893 19.898 19.000 0.008 0.000 1.320 292 A HN 0.138 8.288 8.150 0.000 0.000 0.456 293 L N -0.072 121.166 121.223 0.025 0.000 4.017 293 L HA 0.061 4.402 4.340 0.002 0.000 0.482 293 L C 0.124 177.014 176.870 0.034 0.000 1.045 293 L CA 0.753 55.622 54.840 0.048 0.000 0.650 293 L CB -0.037 42.069 42.059 0.078 0.000 0.973 293 L HN 1.141 9.371 8.230 0.000 0.000 0.913 294 A N 5.609 128.443 122.820 0.022 0.000 2.409 294 A HA 0.755 5.076 4.320 0.002 0.000 0.300 294 A C -0.005 177.577 177.584 -0.002 0.000 1.273 294 A CA 0.041 52.082 52.037 0.007 0.000 0.774 294 A CB 1.111 20.102 19.000 -0.014 0.000 1.144 294 A HN 1.115 9.265 8.150 0.000 0.000 0.472 295 A N 3.674 126.491 122.820 -0.006 0.000 2.309 295 A HA 0.668 4.989 4.320 0.002 0.000 0.290 295 A C 0.291 177.769 177.584 -0.177 0.000 1.206 295 A CA -0.370 51.608 52.037 -0.098 0.000 0.850 295 A CB 0.209 19.147 19.000 -0.102 0.000 1.118 295 A HN 0.762 8.912 8.150 0.000 0.000 0.523 296 R N 3.118 123.500 120.500 -0.197 0.000 2.561 296 R HA 0.414 4.754 4.340 0.002 0.000 0.297 296 R C -3.090 173.076 176.300 -0.224 0.000 0.969 296 R CA -2.059 53.940 56.100 -0.169 0.000 0.879 296 R CB 1.623 31.870 30.300 -0.089 0.000 1.178 296 R HN 0.367 8.637 8.270 0.000 0.000 0.445 297 P HA -0.046 4.374 4.420 0.000 0.000 0.264 297 P C -0.454 176.783 177.300 -0.106 0.000 1.193 297 P CA -0.036 62.953 63.100 -0.184 0.000 0.763 297 P CB 0.603 32.228 31.700 -0.125 0.000 0.810 298 V N 0.923 120.783 119.914 -0.091 0.000 2.769 298 V HA 0.531 4.652 4.120 0.002 0.000 0.312 298 V C -0.222 175.983 176.094 0.184 0.000 1.061 298 V CA -1.136 61.188 62.300 0.041 0.000 0.931 298 V CB 2.204 34.029 31.823 0.004 0.000 1.010 298 V HN 0.247 8.437 8.190 0.000 0.000 0.433 299 K N 2.666 123.208 120.400 0.236 0.000 2.227 299 K HA 0.706 5.027 4.320 0.002 0.000 0.280 299 K C 0.189 177.015 176.600 0.377 0.000 1.041 299 K CA -0.162 56.275 56.287 0.250 0.000 0.905 299 K CB 1.738 34.322 32.500 0.139 0.000 1.068 299 K HN 1.032 9.282 8.250 0.000 0.000 0.470 300 A N 4.266 127.292 122.820 0.342 0.000 2.488 300 A HA 0.164 4.485 4.320 0.002 0.000 0.249 300 A C 0.084 177.618 177.584 -0.084 0.000 1.083 300 A CA -0.142 51.892 52.037 -0.005 0.000 0.768 300 A CB -0.223 18.768 19.000 -0.015 0.000 1.017 300 A HN 0.744 8.894 8.150 0.000 0.000 0.496 301 I N 2.876 123.308 120.570 -0.231 0.000 2.306 301 I HA 0.219 4.390 4.170 0.002 0.000 0.288 301 I C -0.163 175.837 176.117 -0.195 0.000 1.036 301 I CA 0.116 61.333 61.300 -0.140 0.000 1.221 301 I CB 1.153 39.101 38.000 -0.087 0.000 1.385 301 I HN 0.512 8.722 8.210 0.000 0.000 0.472 302 T N 6.588 121.069 114.554 -0.121 0.000 2.912 302 T HA 0.397 4.748 4.350 0.002 0.000 0.326 302 T C -1.862 172.796 174.700 -0.071 0.000 1.080 302 T CA -0.928 61.111 62.100 -0.101 0.000 1.000 302 T CB 0.965 69.794 68.868 -0.065 0.000 1.008 302 T HN 0.445 8.685 8.240 0.000 0.000 0.473 303 P HA 0.509 4.929 4.420 0.000 0.000 0.278 303 P C -3.037 174.161 177.300 -0.171 0.000 1.258 303 P CA -2.109 60.925 63.100 -0.111 0.000 0.811 303 P CB 0.030 31.679 31.700 -0.085 0.000 1.063 304 P HA 0.030 4.450 4.420 0.000 0.000 0.261 304 P C -0.210 176.899 177.300 -0.318 0.000 1.183 304 P CA 0.494 63.344 63.100 -0.416 0.000 0.761 304 P CB -0.169 31.063 31.700 -0.780 0.000 0.785 305 T N 6.606 120.997 114.554 -0.271 0.000 2.888 305 T HA 0.173 4.524 4.350 0.002 0.000 0.301 305 T C -2.074 172.494 174.700 -0.219 0.000 1.001 305 T CA -0.837 61.139 62.100 -0.208 0.000 1.147 305 T CB -0.362 68.390 68.868 -0.192 0.000 0.931 305 T HN 0.269 8.509 8.240 0.000 0.000 0.541 306 P HA 0.181 4.601 4.420 0.000 0.000 0.269 306 P C -0.440 176.785 177.300 -0.125 0.000 1.209 306 P CA -0.433 62.587 63.100 -0.133 0.000 0.776 306 P CB 0.251 31.893 31.700 -0.096 0.000 0.876 307 A N 3.211 125.970 122.820 -0.102 0.000 2.573 307 A HA -0.024 4.297 4.320 0.002 0.000 0.266 307 A C 0.284 177.809 177.584 -0.099 0.000 1.007 307 A CA 0.327 52.309 52.037 -0.092 0.000 0.878 307 A CB -0.990 17.969 19.000 -0.069 0.000 0.886 307 A HN 0.380 8.530 8.150 0.000 0.000 0.507 308 V N 5.823 125.667 119.914 -0.116 0.000 2.408 308 V HA 0.107 4.228 4.120 0.002 0.000 0.267 308 V C 1.549 177.594 176.094 -0.082 0.000 1.047 308 V CA -0.090 62.149 62.300 -0.102 0.000 0.937 308 V CB 0.705 32.450 31.823 -0.129 0.000 0.999 308 V HN 1.028 9.218 8.190 0.000 0.000 0.472 309 R N 3.485 123.947 120.500 -0.064 0.000 2.152 309 R HA -0.003 4.338 4.340 0.002 0.000 0.232 309 R C 1.421 177.698 176.300 -0.040 0.000 1.117 309 R CA 1.126 57.189 56.100 -0.061 0.000 0.981 309 R CB -0.021 30.246 30.300 -0.054 0.000 0.870 309 R HN 0.770 9.040 8.270 0.000 0.000 0.451 310 A N 1.146 123.968 122.820 0.005 0.000 3.077 310 A HA 0.232 4.553 4.320 0.002 0.000 0.255 310 A C -0.528 177.138 177.584 0.136 0.000 1.728 310 A CA 0.063 52.156 52.037 0.094 0.000 1.383 310 A CB 0.053 19.122 19.000 0.115 0.000 1.097 310 A HN 0.029 8.179 8.150 0.000 0.000 0.634 311 S N 0.276 116.013 115.700 0.061 0.000 2.548 311 S HA 0.480 4.951 4.470 0.002 0.000 0.286 311 S C -0.859 173.773 174.600 0.052 0.000 1.098 311 S CA -0.583 57.663 58.200 0.077 0.000 0.930 311 S CB 1.145 64.312 63.200 -0.056 0.000 1.070 311 S HN 0.668 8.978 8.310 0.000 0.000 0.480 312 W N 4.501 125.794 121.300 -0.011 0.000 2.342 312 W HA 0.511 5.172 4.660 0.001 0.000 0.310 312 W C -1.736 174.637 176.519 -0.243 0.000 1.128 312 W CA -0.491 56.773 57.345 -0.135 0.000 1.322 312 W CB 0.370 29.867 29.460 0.061 0.000 1.251 312 W HN 0.325 8.505 8.180 0.000 0.000 0.439 313 V N 7.641 127.107 119.914 -0.747 0.000 2.398 313 V HA 0.409 4.530 4.120 0.002 0.000 0.286 313 V C -0.067 175.601 176.094 -0.710 0.000 1.026 313 V CA -0.355 61.475 62.300 -0.783 0.000 0.868 313 V CB 1.147 32.033 31.823 -1.561 0.000 0.982 313 V HN 0.653 8.843 8.190 0.000 0.000 0.443 314 H N 2.363 121.322 119.070 -0.185 0.000 2.981 314 H HA 0.898 5.455 4.556 0.002 0.000 0.327 314 H C -1.315 174.213 175.328 0.334 0.000 1.342 314 H CA -1.240 54.814 56.048 0.011 0.000 1.123 314 H CB 2.207 31.959 29.762 -0.017 0.000 1.851 314 H HN 0.448 8.728 8.280 0.000 0.000 0.531 315 K N 1.120 121.536 120.400 0.025 0.000 2.543 315 K HA 0.328 4.649 4.320 0.002 0.000 0.255 315 K C -1.450 175.092 176.600 -0.098 0.000 0.934 315 K CA -0.141 56.097 56.287 -0.082 0.000 0.810 315 K CB 2.324 34.781 32.500 -0.073 0.000 1.315 315 K HN 0.924 9.174 8.250 0.000 0.000 0.433 316 T N -0.327 114.246 114.554 0.031 0.000 2.895 316 T HA 0.527 4.878 4.350 0.002 0.000 0.283 316 T C 0.870 175.651 174.700 0.135 0.000 1.014 316 T CA -0.426 61.805 62.100 0.218 0.000 1.037 316 T CB 1.724 70.719 68.868 0.212 0.000 1.006 316 T HN 0.551 8.791 8.240 0.000 0.000 0.468 317 G N 0.302 109.206 108.800 0.173 0.000 2.880 317 G HA2 0.295 4.256 3.960 0.002 0.000 0.209 317 G HA3 0.295 4.256 3.960 0.002 0.000 0.209 317 G C 1.513 176.539 174.900 0.210 0.000 1.157 317 G CA 0.325 45.541 45.100 0.195 0.000 0.779 317 G HN 1.069 9.359 8.290 0.000 0.000 0.539 318 A N 0.850 123.732 122.820 0.104 0.000 1.948 318 A HA -0.082 4.239 4.320 0.002 0.000 0.220 318 A C 2.380 179.977 177.584 0.022 0.000 1.177 318 A CA 2.285 54.339 52.037 0.028 0.000 0.636 318 A CB -0.737 18.232 19.000 -0.052 0.000 0.815 318 A HN 0.258 8.408 8.150 0.000 0.000 0.449 319 T N -0.810 113.738 114.554 -0.009 0.000 3.160 319 T HA 0.182 4.533 4.350 0.002 0.000 0.257 319 T C 1.506 176.276 174.700 0.117 0.000 1.147 319 T CA 0.831 62.912 62.100 -0.031 0.000 1.064 319 T CB 0.049 68.750 68.868 -0.278 0.000 0.949 319 T HN 0.540 8.780 8.240 0.000 0.000 0.526 320 G N 0.447 109.385 108.800 0.230 0.000 2.921 320 G HA2 0.433 4.394 3.960 0.002 0.000 0.213 320 G HA3 0.433 4.394 3.960 0.002 0.000 0.213 320 G C 1.026 176.015 174.900 0.149 0.000 1.143 320 G CA 0.082 45.386 45.100 0.341 0.000 0.764 320 G HN 0.695 8.985 8.290 0.000 0.000 0.542 321 G N -0.767 108.054 108.800 0.035 0.000 2.164 321 G HA2 -0.180 3.781 3.960 0.002 0.000 0.212 321 G HA3 -0.180 3.781 3.960 0.002 0.000 0.212 321 G C -0.221 174.417 174.900 -0.438 0.000 1.031 321 G CA -0.350 44.618 45.100 -0.219 0.000 0.730 321 G HN 0.312 8.602 8.290 0.000 0.000 0.501 322 F N -0.724 119.266 119.950 0.067 0.000 2.546 322 F HA 0.633 5.162 4.527 0.004 0.000 0.320 322 F C 1.247 177.102 175.800 0.092 0.000 1.076 322 F CA -0.280 57.779 58.000 0.097 0.000 0.928 322 F CB 2.070 41.136 39.000 0.110 0.000 1.189 322 F HN 0.033 8.333 8.300 0.000 0.000 0.465 323 G N 0.349 109.340 108.800 0.319 0.000 3.262 323 G HA2 0.152 4.113 3.960 0.002 0.000 0.228 323 G HA3 0.152 4.113 3.960 0.002 0.000 0.228 323 G C -0.005 175.049 174.900 0.256 0.000 1.197 323 G CA -0.084 45.174 45.100 0.263 0.000 0.819 323 G HN 0.535 8.825 8.290 0.000 0.000 0.531 324 S N -0.693 115.155 115.700 0.246 0.000 2.616 324 S HA 0.691 5.162 4.470 0.002 0.000 0.277 324 S C -1.051 173.716 174.600 0.279 0.000 1.234 324 S CA -0.849 57.483 58.200 0.220 0.000 1.028 324 S CB 2.004 65.310 63.200 0.177 0.000 0.988 324 S HN 0.266 8.576 8.310 0.000 0.000 0.522 325 Y N 0.520 120.901 120.300 0.134 0.000 2.442 325 Y HA 0.543 5.094 4.550 0.001 0.000 0.330 325 Y C -1.787 174.235 175.900 0.202 0.000 1.100 325 Y CA -0.848 57.348 58.100 0.159 0.000 1.034 325 Y CB 1.522 40.075 38.460 0.155 0.000 1.285 325 Y HN 0.710 8.990 8.280 0.000 0.000 0.440 326 V N 4.696 124.364 119.914 -0.409 0.000 2.638 326 V HA 0.973 5.094 4.120 0.002 0.000 0.306 326 V C -0.760 175.124 176.094 -0.350 0.000 1.052 326 V CA -0.304 61.914 62.300 -0.137 0.000 0.885 326 V CB 1.387 33.368 31.823 0.263 0.000 0.999 326 V HN 0.961 9.151 8.190 0.000 0.000 0.424 327 A N 4.668 127.341 122.820 -0.245 0.000 2.549 327 A HA 1.044 5.365 4.320 0.002 0.000 0.297 327 A C -1.292 176.044 177.584 -0.414 0.000 1.061 327 A CA -0.530 51.201 52.037 -0.510 0.000 0.690 327 A CB 1.908 20.425 19.000 -0.804 0.000 1.287 327 A HN 1.441 9.591 8.150 0.000 0.000 0.402 328 F N -0.826 118.678 119.950 -0.743 0.000 2.668 328 F HA 0.823 5.351 4.527 0.001 0.000 0.309 328 F C -1.467 173.970 175.800 -0.605 0.000 1.117 328 F CA -1.228 56.411 58.000 -0.602 0.000 0.951 328 F CB 1.228 39.931 39.000 -0.496 0.000 1.323 328 F HN 0.309 8.609 8.300 0.000 0.000 0.451 329 I N 2.950 123.301 120.570 -0.365 0.000 2.437 329 I HA 0.338 4.509 4.170 0.002 0.000 0.279 329 I C -2.069 173.919 176.117 -0.215 0.000 1.028 329 I CA -1.896 59.156 61.300 -0.414 0.000 1.142 329 I CB 1.905 39.514 38.000 -0.651 0.000 1.266 329 I HN 0.392 8.602 8.210 0.000 0.000 0.461 330 P HA -0.224 4.196 4.420 0.000 0.000 0.215 330 P C 1.314 178.551 177.300 -0.105 0.000 1.157 330 P CA 1.365 64.423 63.100 -0.070 0.000 0.874 330 P CB 0.143 31.807 31.700 -0.060 0.000 0.790 331 E N -0.206 119.932 120.200 -0.102 0.000 2.265 331 E HA -0.170 4.181 4.350 0.002 0.000 0.196 331 E C 1.259 177.802 176.600 -0.094 0.000 0.996 331 E CA 1.009 57.363 56.400 -0.077 0.000 0.832 331 E CB -0.543 29.139 29.700 -0.030 0.000 0.756 331 E HN 0.093 8.453 8.360 0.000 0.000 0.491 332 K N 0.674 120.988 120.400 -0.144 0.000 2.374 332 K HA 0.076 4.397 4.320 0.002 0.000 0.196 332 K C -0.127 176.366 176.600 -0.179 0.000 1.023 332 K CA 0.168 56.361 56.287 -0.157 0.000 1.103 332 K CB 0.315 32.692 32.500 -0.205 0.000 0.848 332 K HN 0.225 8.475 8.250 0.000 0.000 0.528 333 E N 0.761 120.862 120.200 -0.164 0.000 2.269 333 E HA -0.231 4.120 4.350 0.002 0.000 0.223 333 E C -1.055 175.443 176.600 -0.170 0.000 1.244 333 E CA 0.249 56.549 56.400 -0.166 0.000 0.713 333 E CB -1.050 28.549 29.700 -0.168 0.000 1.178 333 E HN 0.033 8.393 8.360 0.000 0.000 0.370 334 L N -0.331 120.796 121.223 -0.160 0.000 2.436 334 L HA 0.787 5.128 4.340 0.002 0.000 0.268 334 L C -0.089 176.706 176.870 -0.126 0.000 0.974 334 L CA 0.314 55.076 54.840 -0.130 0.000 0.826 334 L CB 2.086 44.048 42.059 -0.161 0.000 1.291 334 L HN 0.062 8.292 8.230 0.000 0.000 0.406 335 G N 3.921 112.675 108.800 -0.076 0.000 2.608 335 G HA2 0.655 4.616 3.960 0.002 0.000 0.291 335 G HA3 0.655 4.616 3.960 0.002 0.000 0.291 335 G C -2.222 172.668 174.900 -0.016 0.000 1.425 335 G CA -0.434 44.627 45.100 -0.066 0.000 0.787 335 G HN 0.831 9.121 8.290 0.000 0.000 0.484 336 I N -0.147 120.425 120.570 0.004 0.000 2.722 336 I HA 0.607 4.778 4.170 0.002 0.000 0.292 336 I C -1.370 174.812 176.117 0.108 0.000 1.267 336 I CA -0.885 60.459 61.300 0.073 0.000 1.036 336 I CB 2.192 40.255 38.000 0.106 0.000 1.281 336 I HN 0.405 8.615 8.210 0.000 0.000 0.423 337 V N 7.306 127.306 119.914 0.143 0.000 2.555 337 V HA 0.554 4.675 4.120 0.002 0.000 0.302 337 V C -0.352 175.854 176.094 0.187 0.000 1.038 337 V CA -0.467 61.933 62.300 0.167 0.000 0.887 337 V CB 1.747 33.671 31.823 0.168 0.000 0.991 337 V HN 0.671 8.861 8.190 0.000 0.000 0.434 338 M N 5.756 125.482 119.600 0.209 0.000 2.053 338 M HA 0.553 5.034 4.480 0.002 0.000 0.297 338 M C -1.262 175.110 176.300 0.120 0.000 0.921 338 M CA -0.053 55.364 55.300 0.196 0.000 0.918 338 M CB 1.633 34.401 32.600 0.280 0.000 1.499 338 M HN 0.427 8.717 8.290 0.000 0.000 0.422 339 L N 3.012 124.193 121.223 -0.069 0.000 2.296 339 L HA 0.988 5.328 4.340 0.002 0.000 0.286 339 L C -0.145 176.501 176.870 -0.373 0.000 1.023 339 L CA -0.567 54.072 54.840 -0.336 0.000 0.812 339 L CB 1.444 43.004 42.059 -0.832 0.000 1.223 339 L HN 0.783 9.013 8.230 0.000 0.000 0.421 340 A N 2.759 125.571 122.820 -0.014 0.000 2.566 340 A HA 0.530 4.851 4.320 0.002 0.000 0.292 340 A C -0.385 177.444 177.584 0.408 0.000 1.112 340 A CA -0.649 51.534 52.037 0.243 0.000 0.707 340 A CB 1.479 20.642 19.000 0.272 0.000 1.302 340 A HN 0.783 8.933 8.150 0.000 0.000 0.409 341 N N -0.154 118.800 118.700 0.422 0.000 2.349 341 N HA 0.044 4.785 4.740 0.002 0.000 0.180 341 N C 0.590 176.248 175.510 0.246 0.000 1.024 341 N CA 0.233 53.491 53.050 0.347 0.000 0.869 341 N CB 0.071 38.726 38.487 0.279 0.000 1.022 341 N HN 0.611 8.991 8.380 0.000 0.000 0.433 342 K N 2.184 122.717 120.400 0.222 0.000 2.472 342 K HA -0.031 4.290 4.320 0.002 0.000 0.280 342 K C -0.522 176.232 176.600 0.257 0.000 1.028 342 K CA 0.022 56.421 56.287 0.186 0.000 1.045 342 K CB 0.237 32.828 32.500 0.152 0.000 0.902 342 K HN 0.005 8.255 8.250 0.000 0.000 0.478 343 N N 5.217 124.008 118.700 0.152 0.000 2.739 343 N HA -0.005 4.736 4.740 0.002 0.000 0.266 343 N C -1.219 174.368 175.510 0.127 0.000 1.168 343 N CA -0.295 52.819 53.050 0.106 0.000 1.055 343 N CB -0.141 38.343 38.487 -0.004 0.000 1.393 343 N HN 0.407 8.787 8.380 0.000 0.000 0.514 344 Y N 0.986 121.304 120.300 0.030 0.000 2.316 344 Y HA 0.671 5.221 4.550 -0.000 0.000 0.324 344 Y C -2.219 173.684 175.900 0.005 0.000 1.267 344 Y CA -3.039 55.068 58.100 0.012 0.000 1.311 344 Y CB -0.232 38.232 38.460 0.007 0.000 1.267 344 Y HN 0.271 8.551 8.280 0.000 0.000 0.516 345 P HA -0.052 4.368 4.420 0.000 0.000 0.263 345 P C -0.091 177.096 177.300 -0.187 0.000 1.175 345 P CA 0.502 63.561 63.100 -0.068 0.000 0.761 345 P CB 0.679 32.380 31.700 0.002 0.000 0.794 346 N N 4.894 123.489 118.700 -0.175 0.000 2.120 346 N HA -0.117 4.624 4.740 0.002 0.000 0.188 346 N C -0.892 174.522 175.510 -0.160 0.000 1.024 346 N CA 1.724 54.657 53.050 -0.195 0.000 0.852 346 N CB -1.398 37.020 38.487 -0.114 0.000 1.003 346 N HN 0.371 8.751 8.380 0.000 0.000 0.424 347 P HA -0.091 4.329 4.420 0.000 0.000 0.217 347 P C 0.746 178.007 177.300 -0.065 0.000 1.148 347 P CA 1.437 64.491 63.100 -0.076 0.000 0.828 347 P CB -0.156 31.510 31.700 -0.057 0.000 0.783 348 A N -0.183 122.618 122.820 -0.031 0.000 1.930 348 A HA -0.189 4.132 4.320 0.002 0.000 0.217 348 A C 2.196 179.814 177.584 0.057 0.000 1.175 348 A CA 1.219 53.285 52.037 0.048 0.000 0.627 348 A CB -0.859 18.241 19.000 0.166 0.000 0.815 348 A HN 0.102 8.252 8.150 0.000 0.000 0.443 349 R N -0.593 119.867 120.500 -0.067 0.000 2.080 349 R HA -0.100 4.241 4.340 0.002 0.000 0.236 349 R C 2.015 178.147 176.300 -0.280 0.000 1.137 349 R CA 1.556 57.536 56.100 -0.199 0.000 0.943 349 R CB -0.824 29.154 30.300 -0.537 0.000 0.846 349 R HN 0.351 8.621 8.270 0.000 0.000 0.431 350 V N 1.948 121.683 119.914 -0.298 0.000 2.295 350 V HA -0.247 3.874 4.120 0.002 0.000 0.246 350 V C 1.706 177.861 176.094 0.102 0.000 1.049 350 V CA 1.992 64.252 62.300 -0.067 0.000 1.024 350 V CB -0.493 31.318 31.823 -0.019 0.000 0.648 350 V HN 0.272 8.462 8.190 0.000 0.000 0.447 351 D N 0.457 120.877 120.400 0.033 0.000 2.092 351 D HA -0.164 4.477 4.640 0.002 0.000 0.193 351 D C 2.240 178.650 176.300 0.183 0.000 0.994 351 D CA 1.829 55.872 54.000 0.073 0.000 0.828 351 D CB -0.466 40.340 40.800 0.010 0.000 0.963 351 D HN 0.439 8.809 8.370 0.000 0.000 0.450 352 A N 1.121 124.022 122.820 0.135 0.000 1.883 352 A HA -0.089 4.232 4.320 0.002 0.000 0.217 352 A C 2.342 180.054 177.584 0.213 0.000 1.186 352 A CA 2.612 54.731 52.037 0.137 0.000 0.624 352 A CB -0.878 18.171 19.000 0.083 0.000 0.822 352 A HN 0.250 8.400 8.150 0.000 0.000 0.444 353 A N -1.663 121.331 122.820 0.290 0.000 1.883 353 A HA -0.197 4.124 4.320 0.002 0.000 0.217 353 A C 2.046 179.943 177.584 0.520 0.000 1.186 353 A CA 1.612 53.904 52.037 0.426 0.000 0.624 353 A CB -0.994 18.407 19.000 0.667 0.000 0.822 353 A HN 0.855 9.005 8.150 0.000 0.000 0.444 354 W N 0.469 122.000 121.300 0.385 0.000 2.355 354 W HA -0.199 4.462 4.660 0.001 0.000 0.309 354 W C 2.382 179.032 176.519 0.218 0.000 1.206 354 W CA 1.873 59.403 57.345 0.308 0.000 1.284 354 W CB -0.060 29.423 29.460 0.038 0.000 1.145 354 W HN 0.312 8.492 8.180 0.000 0.000 0.502 355 Q N 0.510 120.608 119.800 0.498 0.000 2.029 355 Q HA -0.272 4.069 4.340 0.002 0.000 0.209 355 Q C 2.172 178.213 176.000 0.069 0.000 0.999 355 Q CA 2.613 58.586 55.803 0.283 0.000 0.857 355 Q CB -1.189 27.681 28.738 0.221 0.000 0.926 355 Q HN 0.491 8.761 8.270 0.000 0.000 0.415 356 I N 0.207 120.826 120.570 0.081 0.000 2.163 356 I HA -0.280 3.891 4.170 0.002 0.000 0.240 356 I C 2.365 178.471 176.117 -0.018 0.000 1.081 356 I CA 0.857 62.167 61.300 0.017 0.000 1.353 356 I CB -0.292 37.721 38.000 0.023 0.000 1.054 356 I HN 0.126 8.336 8.210 0.000 0.000 0.407 357 L N 0.187 121.408 121.223 -0.004 0.000 2.056 357 L HA -0.215 4.126 4.340 0.002 0.000 0.207 357 L C 2.319 179.099 176.870 -0.149 0.000 1.078 357 L CA 1.542 56.340 54.840 -0.071 0.000 0.749 357 L CB -0.865 41.149 42.059 -0.076 0.000 0.901 357 L HN 0.340 8.570 8.230 0.000 0.000 0.433 358 N N 0.472 118.983 118.700 -0.315 0.000 2.149 358 N HA -0.182 4.559 4.740 0.002 0.000 0.188 358 N C 1.760 177.162 175.510 -0.179 0.000 1.019 358 N CA 1.528 54.337 53.050 -0.402 0.000 0.857 358 N CB 0.003 37.752 38.487 -1.231 0.000 0.997 358 N HN 0.296 8.676 8.380 0.000 0.000 0.426 359 A N 0.120 122.861 122.820 -0.131 0.000 1.898 359 A HA -0.002 4.319 4.320 0.002 0.000 0.216 359 A C 2.197 179.771 177.584 -0.018 0.000 1.181 359 A CA 0.951 52.955 52.037 -0.054 0.000 0.620 359 A CB -0.556 18.419 19.000 -0.042 0.000 0.819 359 A HN 0.360 8.510 8.150 0.000 0.000 0.442 360 L N -0.470 120.752 121.223 -0.002 0.000 2.270 360 L HA -0.018 4.323 4.340 0.002 0.000 0.210 360 L C 1.908 178.872 176.870 0.156 0.000 1.104 360 L CA 0.184 55.076 54.840 0.087 0.000 0.804 360 L CB -0.375 41.763 42.059 0.131 0.000 0.937 360 L HN 0.606 8.836 8.230 0.000 0.000 0.450 361 Q N 0.000 119.840 119.800 0.066 0.000 2.315 361 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 361 Q CA 0.000 55.837 55.803 0.057 0.000 1.022 361 Q CB 0.000 28.769 28.738 0.052 0.000 1.108 361 Q HN 0.000 8.270 8.270 0.000 0.000 0.481