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 2gh6_1_D DATA FIRST_RESID 2 DATA SEQUENCE AIGYVWNTLY GWVDTGTGSL AAANLTARMQ PISHHLAHPD TKRRFHELVC DATA SEQUENCE ASGQIEHLTP IAAVAATDAD ILRAHSAAHL ENMKRVSNLP TGGDTGDGIT DATA SEQUENCE MMGNGGLEIA RLSAGGAVEL TRRVATGELS AGYALVNPPG HHAPHNAAMG DATA SEQUENCE FCIFNNTSVA AGYARAVLGM ERVAILDWDV HHGNGTQDIW WNDPSVLTIS DATA SEQUENCE LHQHLCFPPD SGYSTERGAG NGHGYNINVP LPPGSGNAAY LHAMDQVVLP DATA SEQUENCE ALRAYRPQLI IVGSGFDASM LDPLARMMVT ADGFRQMARR TIDCAADICD DATA SEQUENCE GRIVFVQEGG YSPHYLPFCG LAVIEELTGV RSLPDPYHEF LAGMGGNTLL DATA SEQUENCE DAERAAIEEI VPLLADI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.641 177.584 0.095 0.000 1.274 2 A CA 0.000 52.083 52.037 0.077 0.000 0.836 2 A CB 0.000 19.040 19.000 0.066 0.000 0.831 3 I N 2.871 123.506 120.570 0.109 0.000 2.355 3 I HA 0.452 4.637 4.170 0.024 0.000 0.288 3 I C 1.018 177.232 176.117 0.162 0.000 0.999 3 I CA -0.181 61.202 61.300 0.138 0.000 1.163 3 I CB 0.975 39.057 38.000 0.138 0.000 1.316 3 I HN 0.780 nan 8.210 nan 0.000 0.454 4 G N 5.632 114.535 108.800 0.171 0.000 2.503 4 G HA2 0.288 4.263 3.960 0.024 0.000 0.257 4 G HA3 0.288 4.263 3.960 0.024 0.000 0.257 4 G C -1.511 173.560 174.900 0.285 0.000 1.214 4 G CA -0.011 45.200 45.100 0.186 0.000 0.839 4 G HN 0.566 nan 8.290 nan 0.000 0.559 5 Y N 1.426 121.800 120.300 0.124 0.000 2.362 5 Y HA 0.473 5.040 4.550 0.028 0.000 0.326 5 Y C -1.009 174.983 175.900 0.153 0.000 1.083 5 Y CA -0.968 57.225 58.100 0.156 0.000 1.073 5 Y CB 1.780 40.319 38.460 0.132 0.000 1.211 5 Y HN 0.466 nan 8.280 nan 0.000 0.433 6 V N 6.561 126.296 119.914 -0.299 0.000 2.398 6 V HA 0.359 4.494 4.120 0.024 0.000 0.286 6 V C -0.886 174.996 176.094 -0.353 0.000 1.026 6 V CA -0.722 61.435 62.300 -0.239 0.000 0.868 6 V CB 1.427 33.223 31.823 -0.046 0.000 0.982 6 V HN 0.831 nan 8.190 nan 0.000 0.443 7 W N 5.802 126.818 121.300 -0.474 0.000 2.957 7 W HA 0.476 5.151 4.660 0.025 0.000 0.336 7 W C -1.688 174.535 176.519 -0.494 0.000 1.087 7 W CA -0.607 56.493 57.345 -0.407 0.000 1.235 7 W CB 2.141 31.233 29.460 -0.613 0.000 1.399 7 W HN 0.598 nan 8.180 nan 0.000 0.480 8 N N 2.696 120.340 118.700 -1.760 0.000 2.314 8 N HA 0.156 4.911 4.740 0.024 0.000 0.294 8 N C 0.663 175.129 175.510 -1.741 0.000 1.029 8 N CA -0.078 52.024 53.050 -1.579 0.000 0.845 8 N CB 2.277 39.769 38.487 -1.658 0.000 1.321 8 N HN 0.410 nan 8.380 nan 0.000 0.481 9 T N 2.914 116.876 114.554 -0.987 0.000 2.714 9 T HA -0.143 4.222 4.350 0.024 0.000 0.268 9 T C 1.800 176.016 174.700 -0.807 0.000 1.036 9 T CA 1.286 62.996 62.100 -0.651 0.000 1.148 9 T CB -0.019 68.541 68.868 -0.513 0.000 0.856 9 T HN 0.511 nan 8.240 nan 0.000 0.462 10 L N -0.638 120.044 121.223 -0.902 0.000 2.291 10 L HA 0.003 4.357 4.340 0.024 0.000 0.214 10 L C 2.161 178.845 176.870 -0.309 0.000 1.120 10 L CA 1.007 55.450 54.840 -0.662 0.000 0.799 10 L CB -0.576 41.168 42.059 -0.525 0.000 0.925 10 L HN 0.438 nan 8.230 nan 0.000 0.446 11 Y N -0.003 119.946 120.300 -0.585 0.000 2.256 11 Y HA -0.208 4.356 4.550 0.023 0.000 0.288 11 Y C 2.419 178.214 175.900 -0.174 0.000 1.155 11 Y CA 0.396 58.209 58.100 -0.478 0.000 1.203 11 Y CB -0.324 37.605 38.460 -0.884 0.000 0.980 11 Y HN 0.248 nan 8.280 nan 0.000 0.530 12 G N -1.920 106.939 108.800 0.099 0.000 2.985 12 G HA2 -0.117 3.857 3.960 0.024 0.000 0.209 12 G HA3 -0.117 3.857 3.960 0.024 0.000 0.209 12 G C 0.380 175.543 174.900 0.438 0.000 1.165 12 G CA -0.136 45.209 45.100 0.408 0.000 0.776 12 G HN 0.358 nan 8.290 nan 0.000 0.541 13 W N 0.456 121.738 121.300 -0.030 0.000 3.132 13 W HA 0.405 5.080 4.660 0.024 0.000 0.364 13 W C 0.367 176.834 176.519 -0.087 0.000 1.129 13 W CA -1.439 55.872 57.345 -0.056 0.000 1.815 13 W CB -0.328 29.097 29.460 -0.058 0.000 1.099 13 W HN -0.210 nan 8.180 nan 0.000 0.605 14 V N 2.531 122.502 119.914 0.094 0.000 2.540 14 V HA -0.105 4.029 4.120 0.024 0.000 0.297 14 V C 0.480 176.513 176.094 -0.101 0.000 1.024 14 V CA 0.266 62.559 62.300 -0.011 0.000 1.105 14 V CB 0.265 32.064 31.823 -0.040 0.000 0.938 14 V HN -0.118 nan 8.190 nan 0.000 0.482 15 D N 4.155 124.500 120.400 -0.091 0.000 2.336 15 D HA 0.138 4.793 4.640 0.024 0.000 0.249 15 D C 1.056 177.251 176.300 -0.175 0.000 1.213 15 D CA -0.001 53.926 54.000 -0.122 0.000 0.870 15 D CB 1.457 42.211 40.800 -0.077 0.000 1.076 15 D HN 0.749 nan 8.370 nan 0.000 0.483 16 T N 0.748 115.169 114.554 -0.223 0.000 3.145 16 T HA 0.454 4.819 4.350 0.024 0.000 0.255 16 T C 1.143 175.696 174.700 -0.246 0.000 1.039 16 T CA 0.156 62.047 62.100 -0.348 0.000 0.928 16 T CB 0.080 68.681 68.868 -0.445 0.000 1.029 16 T HN 0.549 nan 8.240 nan 0.000 0.554 17 G N 2.101 110.831 108.800 -0.116 0.000 2.552 17 G HA2 -0.281 3.694 3.960 0.024 0.000 0.265 17 G HA3 -0.281 3.694 3.960 0.024 0.000 0.265 17 G C 0.640 175.550 174.900 0.016 0.000 1.234 17 G CA 0.862 45.936 45.100 -0.044 0.000 0.944 17 G HN 1.193 nan 8.290 nan 0.000 0.568 18 T N -1.917 112.662 114.554 0.041 0.000 3.111 18 T HA 0.618 4.982 4.350 0.024 0.000 0.284 18 T C 1.139 175.886 174.700 0.079 0.000 0.983 18 T CA 1.104 63.237 62.100 0.055 0.000 0.900 18 T CB 0.510 69.396 68.868 0.030 0.000 1.132 18 T HN 1.882 nan 8.240 nan 0.000 0.531 19 G N 0.680 109.552 108.800 0.120 0.000 2.532 19 G HA2 0.496 4.471 3.960 0.024 0.000 0.291 19 G HA3 0.496 4.471 3.960 0.024 0.000 0.291 19 G C 0.562 175.532 174.900 0.116 0.000 1.349 19 G CA -0.243 44.927 45.100 0.117 0.000 1.038 19 G HN 0.186 nan 8.290 nan 0.000 0.518 20 S N -1.407 114.292 115.700 -0.002 0.000 2.412 20 S HA 0.202 4.687 4.470 0.024 0.000 0.223 20 S C 1.574 175.879 174.600 -0.493 0.000 1.048 20 S CA 0.348 58.447 58.200 -0.167 0.000 0.954 20 S CB -0.056 63.090 63.200 -0.090 0.000 0.840 20 S HN 0.364 nan 8.310 nan 0.000 0.503 21 L N -1.036 120.061 121.223 -0.210 0.000 2.681 21 L HA 0.496 4.850 4.340 0.024 0.000 0.163 21 L C 0.420 177.409 176.870 0.198 0.000 1.188 21 L CA 0.277 55.064 54.840 -0.088 0.000 0.944 21 L CB -0.282 41.736 42.059 -0.069 0.000 1.835 21 L HN 0.240 nan 8.230 nan 0.000 0.510 22 A N 0.802 123.679 122.820 0.095 0.000 2.310 22 A HA 0.595 4.930 4.320 0.024 0.000 0.260 22 A C 0.385 178.030 177.584 0.102 0.000 1.112 22 A CA 0.379 52.473 52.037 0.095 0.000 0.804 22 A CB 0.000 19.030 19.000 0.049 0.000 1.081 22 A HN 0.397 nan 8.150 nan 0.000 0.499 23 A N -0.450 122.416 122.820 0.076 0.000 2.409 23 A HA 0.523 4.858 4.320 0.024 0.000 0.246 23 A C 0.936 178.550 177.584 0.050 0.000 1.099 23 A CA 0.206 52.282 52.037 0.064 0.000 0.789 23 A CB -0.613 18.411 19.000 0.039 0.000 1.053 23 A HN 2.259 nan 8.150 nan 0.000 0.503 24 A N 0.266 123.113 122.820 0.045 0.000 2.483 24 A HA 0.420 4.755 4.320 0.024 0.000 0.238 24 A C 0.340 177.938 177.584 0.024 0.000 1.070 24 A CA 0.507 52.563 52.037 0.032 0.000 0.770 24 A CB -0.273 18.745 19.000 0.029 0.000 1.008 24 A HN 0.929 nan 8.150 nan 0.000 0.497 25 N N 1.851 120.562 118.700 0.019 0.000 2.571 25 N HA 0.281 5.036 4.740 0.024 0.000 0.286 25 N C 0.293 175.811 175.510 0.012 0.000 1.138 25 N CA -0.737 52.322 53.050 0.015 0.000 0.859 25 N CB 0.593 39.089 38.487 0.015 0.000 1.414 25 N HN 0.447 nan 8.380 nan 0.000 0.529 26 L N 2.926 124.156 121.223 0.011 0.000 2.046 26 L HA -0.077 4.277 4.340 0.024 0.000 0.208 26 L C 2.662 179.537 176.870 0.008 0.000 1.077 26 L CA 2.225 57.071 54.840 0.009 0.000 0.747 26 L CB -1.149 40.914 42.059 0.008 0.000 0.896 26 L HN 0.822 nan 8.230 nan 0.000 0.432 27 T N -3.747 110.812 114.554 0.008 0.000 2.951 27 T HA -0.017 4.348 4.350 0.024 0.000 0.268 27 T C 1.671 176.375 174.700 0.007 0.000 1.073 27 T CA 0.789 62.893 62.100 0.007 0.000 1.134 27 T CB -0.406 68.466 68.868 0.006 0.000 0.884 27 T HN 0.252 nan 8.240 nan 0.000 0.479 28 A N 0.993 123.818 122.820 0.008 0.000 2.238 28 A HA 0.311 4.646 4.320 0.024 0.000 0.208 28 A C 1.094 178.683 177.584 0.008 0.000 1.177 28 A CA -0.135 51.907 52.037 0.008 0.000 0.804 28 A CB -0.361 18.645 19.000 0.009 0.000 0.823 28 A HN 0.335 nan 8.150 nan 0.000 0.482 29 R N -1.510 118.995 120.500 0.008 0.000 3.525 29 R HA -0.163 4.192 4.340 0.024 0.000 0.276 29 R C -0.535 175.770 176.300 0.009 0.000 1.116 29 R CA 0.953 57.058 56.100 0.009 0.000 0.745 29 R CB -2.787 27.518 30.300 0.008 0.000 1.185 29 R HN 0.646 nan 8.270 nan 0.000 0.454 30 M N 1.128 120.735 119.600 0.011 0.000 2.319 30 M HA 0.098 4.592 4.480 0.024 0.000 0.343 30 M C 1.033 177.341 176.300 0.014 0.000 1.364 30 M CA 0.298 55.605 55.300 0.011 0.000 1.292 30 M CB 0.910 33.518 32.600 0.012 0.000 1.432 30 M HN 0.051 nan 8.290 nan 0.000 0.448 31 Q N 5.112 124.920 119.800 0.013 0.000 2.337 31 Q HA 0.213 4.568 4.340 0.024 0.000 0.270 31 Q C -2.155 173.857 176.000 0.019 0.000 1.002 31 Q CA -1.376 54.436 55.803 0.015 0.000 0.888 31 Q CB 0.676 29.422 28.738 0.013 0.000 1.222 31 Q HN 0.298 nan 8.270 nan 0.000 0.400 32 P HA 0.082 nan 4.420 nan 0.000 0.268 32 P C -0.919 176.399 177.300 0.030 0.000 1.208 32 P CA 0.264 63.380 63.100 0.027 0.000 0.777 32 P CB 0.493 32.206 31.700 0.023 0.000 0.875 33 I N 0.247 120.842 120.570 0.041 0.000 2.865 33 I HA 0.207 4.391 4.170 0.024 0.000 0.302 33 I C 1.155 177.309 176.117 0.062 0.000 1.140 33 I CA -0.509 60.820 61.300 0.049 0.000 1.021 33 I CB 2.190 40.218 38.000 0.047 0.000 1.233 33 I HN 0.349 nan 8.210 nan 0.000 0.427 34 S N 3.454 119.200 115.700 0.076 0.000 2.461 34 S HA 0.045 4.530 4.470 0.024 0.000 0.228 34 S C 0.297 174.904 174.600 0.012 0.000 1.005 34 S CA 0.840 59.084 58.200 0.073 0.000 0.942 34 S CB -0.251 63.017 63.200 0.113 0.000 0.776 34 S HN 0.704 nan 8.310 nan 0.000 0.514 35 H N 0.970 120.003 119.070 -0.062 0.000 2.792 35 H HA 0.452 5.023 4.556 0.024 0.000 0.298 35 H C -0.464 174.905 175.328 0.068 0.000 1.042 35 H CA -0.755 55.237 56.048 -0.093 0.000 1.300 35 H CB 0.423 30.081 29.762 -0.173 0.000 1.431 35 H HN 0.499 nan 8.280 nan 0.000 0.496 36 H N 2.211 121.343 119.070 0.104 0.000 2.929 36 H HA -0.042 4.528 4.556 0.024 0.000 0.358 36 H C 1.013 176.404 175.328 0.104 0.000 1.111 36 H CA 0.166 56.259 56.048 0.075 0.000 1.409 36 H CB 0.912 30.689 29.762 0.025 0.000 1.373 36 H HN 0.675 nan 8.280 nan 0.000 0.610 37 L N 3.072 124.098 121.223 -0.329 0.000 2.034 37 L HA -0.277 4.078 4.340 0.024 0.000 0.217 37 L C 2.161 179.179 176.870 0.247 0.000 1.077 37 L CA 1.802 56.596 54.840 -0.077 0.000 0.769 37 L CB -0.570 41.346 42.059 -0.239 0.000 0.890 37 L HN 0.817 nan 8.230 nan 0.000 0.435 38 A N -2.243 120.794 122.820 0.362 0.000 2.327 38 A HA -0.008 4.326 4.320 0.024 0.000 0.228 38 A C 0.390 178.092 177.584 0.197 0.000 1.275 38 A CA -0.274 51.935 52.037 0.287 0.000 0.875 38 A CB -0.956 17.776 19.000 -0.447 0.000 0.925 38 A HN 0.410 nan 8.150 nan 0.000 0.493 39 H N 1.403 120.583 119.070 0.185 0.000 3.094 39 H HA 0.073 4.643 4.556 0.024 0.000 0.320 39 H C -1.203 174.187 175.328 0.102 0.000 1.000 39 H CA -0.261 55.836 56.048 0.082 0.000 1.413 39 H CB 0.997 30.795 29.762 0.060 0.000 1.405 39 H HN 0.129 nan 8.280 nan 0.000 0.586 40 P HA -0.129 nan 4.420 nan 0.000 0.231 40 P C 0.469 177.886 177.300 0.194 0.000 1.158 40 P CA 0.792 63.894 63.100 0.003 0.000 0.763 40 P CB 0.450 32.114 31.700 -0.061 0.000 0.805 41 D N -0.279 120.327 120.400 0.343 0.000 2.144 41 D HA -0.102 4.553 4.640 0.024 0.000 0.199 41 D C 1.894 178.335 176.300 0.235 0.000 0.984 41 D CA 1.319 55.529 54.000 0.350 0.000 0.834 41 D CB -0.862 40.208 40.800 0.448 0.000 0.955 41 D HN 0.132 nan 8.370 nan 0.000 0.465 42 T N 0.726 115.413 114.554 0.222 0.000 2.684 42 T HA -0.162 4.203 4.350 0.024 0.000 0.267 42 T C 1.883 176.672 174.700 0.148 0.000 1.036 42 T CA 1.322 63.506 62.100 0.140 0.000 1.148 42 T CB -0.073 68.865 68.868 0.117 0.000 0.863 42 T HN 0.185 nan 8.240 nan 0.000 0.436 43 K N 0.333 120.853 120.400 0.200 0.000 2.155 43 K HA 0.065 4.400 4.320 0.024 0.000 0.203 43 K C 2.523 179.213 176.600 0.150 0.000 1.052 43 K CA 0.580 57.025 56.287 0.263 0.000 0.948 43 K CB -0.072 32.627 32.500 0.330 0.000 0.728 43 K HN 0.148 nan 8.250 nan 0.000 0.448 44 R N 1.356 121.951 120.500 0.158 0.000 2.096 44 R HA -0.090 4.264 4.340 0.024 0.000 0.235 44 R C 2.047 178.302 176.300 -0.074 0.000 1.127 44 R CA 1.335 57.421 56.100 -0.024 0.000 0.968 44 R CB 0.059 30.495 30.300 0.228 0.000 0.861 44 R HN 0.080 nan 8.270 nan 0.000 0.440 45 R N -0.498 120.016 120.500 0.023 0.000 2.096 45 R HA -0.154 4.201 4.340 0.024 0.000 0.235 45 R C 2.165 178.445 176.300 -0.032 0.000 1.127 45 R CA 1.406 57.498 56.100 -0.012 0.000 0.968 45 R CB -0.451 29.854 30.300 0.008 0.000 0.861 45 R HN 0.223 nan 8.270 nan 0.000 0.440 46 F N 1.331 121.171 119.950 -0.183 0.000 2.075 46 F HA -0.220 4.320 4.527 0.022 0.000 0.297 46 F C 2.291 177.944 175.800 -0.246 0.000 1.113 46 F CA 2.007 59.868 58.000 -0.231 0.000 1.218 46 F CB -1.102 37.808 39.000 -0.150 0.000 0.984 46 F HN 0.060 nan 8.300 nan 0.000 0.472 47 H N 0.254 119.056 119.070 -0.446 0.000 2.319 47 H HA -0.151 4.420 4.556 0.025 0.000 0.297 47 H C 2.091 177.172 175.328 -0.412 0.000 1.097 47 H CA 2.555 58.222 56.048 -0.634 0.000 1.285 47 H CB -0.455 28.496 29.762 -1.352 0.000 1.368 47 H HN 0.468 nan 8.280 nan 0.000 0.495 48 E N -0.603 119.287 120.200 -0.516 0.000 2.153 48 E HA -0.129 4.236 4.350 0.024 0.000 0.194 48 E C 2.121 178.524 176.600 -0.328 0.000 0.988 48 E CA 0.866 57.011 56.400 -0.423 0.000 0.811 48 E CB -0.082 29.498 29.700 -0.201 0.000 0.746 48 E HN 0.354 nan 8.360 nan 0.000 0.466 49 L N 0.640 121.704 121.223 -0.265 0.000 2.093 49 L HA -0.134 4.220 4.340 0.024 0.000 0.208 49 L C 2.176 178.903 176.870 -0.237 0.000 1.085 49 L CA 1.233 55.928 54.840 -0.242 0.000 0.755 49 L CB -0.301 41.575 42.059 -0.305 0.000 0.904 49 L HN -0.072 nan 8.230 nan 0.000 0.435 50 V N -1.083 118.664 119.914 -0.279 0.000 2.287 50 V HA -0.391 3.744 4.120 0.024 0.000 0.248 50 V C 2.590 178.485 176.094 -0.332 0.000 1.053 50 V CA 2.035 64.135 62.300 -0.334 0.000 1.027 50 V CB -0.911 30.597 31.823 -0.525 0.000 0.646 50 V HN 0.618 nan 8.190 nan 0.000 0.447 51 C N 0.027 119.092 119.300 -0.392 0.000 2.489 51 C HA 0.046 4.520 4.460 0.024 0.000 0.279 51 C C 3.081 177.956 174.990 -0.192 0.000 1.266 51 C CA 0.562 59.402 59.018 -0.297 0.000 1.707 51 C CB -1.312 26.217 27.740 -0.353 0.000 2.059 51 C HN 0.615 nan 8.230 nan 0.000 0.481 52 A N 1.350 124.061 122.820 -0.182 0.000 2.015 52 A HA -0.124 4.210 4.320 0.024 0.000 0.219 52 A C 2.239 179.775 177.584 -0.081 0.000 1.163 52 A CA 2.054 54.024 52.037 -0.113 0.000 0.646 52 A CB -0.699 18.241 19.000 -0.100 0.000 0.806 52 A HN 0.721 nan 8.150 nan 0.000 0.448 53 S N -1.992 113.652 115.700 -0.094 0.000 2.481 53 S HA 0.304 4.789 4.470 0.024 0.000 0.231 53 S C 1.592 176.171 174.600 -0.034 0.000 0.996 53 S CA 1.251 59.419 58.200 -0.053 0.000 0.942 53 S CB -0.342 62.820 63.200 -0.063 0.000 0.768 53 S HN 1.878 nan 8.310 nan 0.000 0.520 54 G N 0.596 109.361 108.800 -0.058 0.000 2.175 54 G HA2 -0.277 3.698 3.960 0.024 0.000 0.244 54 G HA3 -0.277 3.698 3.960 0.024 0.000 0.244 54 G C 0.889 175.785 174.900 -0.007 0.000 0.982 54 G CA 0.343 45.420 45.100 -0.038 0.000 0.641 54 G HN 0.379 nan 8.290 nan 0.000 0.527 55 Q N -0.228 119.561 119.800 -0.017 0.000 2.135 55 Q HA -0.058 4.297 4.340 0.024 0.000 0.204 55 Q C 2.585 178.552 176.000 -0.055 0.000 0.981 55 Q CA 1.581 57.395 55.803 0.019 0.000 0.856 55 Q CB -0.270 28.413 28.738 -0.092 0.000 0.902 55 Q HN 0.729 nan 8.270 nan 0.000 0.425 56 I N 1.809 122.279 120.570 -0.167 0.000 2.315 56 I HA -0.253 3.932 4.170 0.024 0.000 0.251 56 I C 1.701 177.737 176.117 -0.134 0.000 1.125 56 I CA 1.420 62.606 61.300 -0.189 0.000 1.392 56 I CB -0.104 37.785 38.000 -0.186 0.000 1.065 56 I HN 0.108 nan 8.210 nan 0.000 0.424 57 E N -0.451 119.638 120.200 -0.184 0.000 2.204 57 E HA -0.176 4.189 4.350 0.024 0.000 0.194 57 E C 1.660 178.043 176.600 -0.363 0.000 0.989 57 E CA 1.080 57.310 56.400 -0.283 0.000 0.824 57 E CB -0.609 28.857 29.700 -0.391 0.000 0.756 57 E HN 0.680 nan 8.360 nan 0.000 0.477 58 H N -0.290 118.755 119.070 -0.042 0.000 2.539 58 H HA 0.251 4.809 4.556 0.003 0.000 0.269 58 H C 0.631 175.952 175.328 -0.013 0.000 0.980 58 H CA 0.113 56.147 56.048 -0.024 0.000 1.152 58 H CB 0.522 30.268 29.762 -0.026 0.000 1.407 58 H HN 0.021 nan 8.280 nan 0.000 0.564 59 L N 0.749 121.994 121.223 0.038 0.000 2.330 59 L HA 0.300 4.654 4.340 0.024 0.000 0.271 59 L C 0.188 177.102 176.870 0.074 0.000 1.013 59 L CA -0.664 54.209 54.840 0.054 0.000 0.816 59 L CB 1.995 44.041 42.059 -0.021 0.000 1.287 59 L HN -0.135 nan 8.230 nan 0.000 0.435 60 T N 2.173 116.796 114.554 0.114 0.000 2.781 60 T HA 0.322 4.687 4.350 0.024 0.000 0.305 60 T C -2.495 172.296 174.700 0.151 0.000 1.001 60 T CA -1.293 60.871 62.100 0.106 0.000 0.950 60 T CB 0.969 69.890 68.868 0.089 0.000 0.955 60 T HN 0.219 nan 8.240 nan 0.000 0.471 61 P HA 0.234 nan 4.420 nan 0.000 0.268 61 P C -0.697 176.666 177.300 0.105 0.000 1.204 61 P CA -0.389 62.819 63.100 0.179 0.000 0.768 61 P CB 0.428 32.222 31.700 0.157 0.000 0.842 62 I N 2.356 122.976 120.570 0.083 0.000 2.418 62 I HA 0.357 4.541 4.170 0.024 0.000 0.287 62 I C 0.416 176.526 176.117 -0.011 0.000 1.008 62 I CA -1.460 59.861 61.300 0.034 0.000 1.104 62 I CB 1.079 39.103 38.000 0.041 0.000 1.264 62 I HN 0.308 nan 8.210 nan 0.000 0.438 63 A N 5.216 128.018 122.820 -0.031 0.000 2.488 63 A HA 0.587 4.922 4.320 0.024 0.000 0.249 63 A C 0.649 178.181 177.584 -0.087 0.000 1.083 63 A CA -0.208 51.783 52.037 -0.075 0.000 0.768 63 A CB 0.193 19.149 19.000 -0.073 0.000 1.017 63 A HN 0.882 nan 8.150 nan 0.000 0.496 64 A N 2.472 125.215 122.820 -0.128 0.000 2.440 64 A HA 0.506 4.841 4.320 0.024 0.000 0.251 64 A C 0.047 177.568 177.584 -0.104 0.000 1.089 64 A CA -0.141 51.835 52.037 -0.102 0.000 0.779 64 A CB 0.081 19.017 19.000 -0.107 0.000 1.022 64 A HN 1.045 nan 8.150 nan 0.000 0.492 65 V N 2.288 122.152 119.914 -0.084 0.000 2.459 65 V HA 0.513 4.647 4.120 0.024 0.000 0.295 65 V C 0.861 176.911 176.094 -0.072 0.000 1.029 65 V CA -0.341 61.910 62.300 -0.080 0.000 0.874 65 V CB 1.354 33.131 31.823 -0.077 0.000 0.985 65 V HN 1.207 nan 8.190 nan 0.000 0.438 66 A N 4.333 127.113 122.820 -0.066 0.000 2.561 66 A HA 0.471 4.806 4.320 0.024 0.000 0.251 66 A C 0.929 178.479 177.584 -0.056 0.000 1.062 66 A CA 0.494 52.501 52.037 -0.051 0.000 0.761 66 A CB -0.268 18.704 19.000 -0.047 0.000 0.986 66 A HN 1.498 nan 8.150 nan 0.000 0.510 67 A N 4.176 126.962 122.820 -0.057 0.000 2.548 67 A HA 0.460 4.794 4.320 0.024 0.000 0.247 67 A C 1.143 178.675 177.584 -0.087 0.000 1.067 67 A CA 0.583 52.571 52.037 -0.081 0.000 0.757 67 A CB -0.540 18.401 19.000 -0.098 0.000 0.996 67 A HN 1.579 nan 8.150 nan 0.000 0.504 68 T N 0.394 114.905 114.554 -0.071 0.000 2.788 68 T HA 0.247 4.611 4.350 0.024 0.000 0.287 68 T C 0.546 175.191 174.700 -0.093 0.000 1.007 68 T CA 0.094 62.157 62.100 -0.062 0.000 1.005 68 T CB 0.543 69.393 68.868 -0.029 0.000 1.012 68 T HN 0.524 nan 8.240 nan 0.000 0.530 69 D N 0.908 121.260 120.400 -0.080 0.000 2.158 69 D HA -0.092 4.563 4.640 0.024 0.000 0.197 69 D C 2.305 178.563 176.300 -0.069 0.000 0.995 69 D CA 1.807 55.753 54.000 -0.090 0.000 0.846 69 D CB -0.807 39.959 40.800 -0.058 0.000 0.941 69 D HN 0.748 nan 8.370 nan 0.000 0.456 70 A N 0.945 123.743 122.820 -0.035 0.000 1.902 70 A HA -0.197 4.138 4.320 0.024 0.000 0.217 70 A C 1.846 179.430 177.584 0.000 0.000 1.181 70 A CA 1.709 53.740 52.037 -0.009 0.000 0.623 70 A CB -0.382 18.625 19.000 0.010 0.000 0.818 70 A HN 0.050 nan 8.150 nan 0.000 0.443 71 D N 0.142 120.539 120.400 -0.005 0.000 2.084 71 D HA -0.138 4.516 4.640 0.024 0.000 0.194 71 D C 1.891 178.172 176.300 -0.032 0.000 0.990 71 D CA 1.410 55.419 54.000 0.014 0.000 0.826 71 D CB -0.426 40.364 40.800 -0.017 0.000 0.971 71 D HN 0.507 nan 8.370 nan 0.000 0.453 72 I N 0.809 121.298 120.570 -0.135 0.000 2.163 72 I HA -0.255 3.929 4.170 0.024 0.000 0.243 72 I C 2.318 178.391 176.117 -0.074 0.000 1.085 72 I CA 0.820 61.993 61.300 -0.212 0.000 1.347 72 I CB -0.209 37.462 38.000 -0.549 0.000 1.044 72 I HN -0.026 nan 8.210 nan 0.000 0.408 73 L N 0.151 121.340 121.223 -0.056 0.000 2.456 73 L HA -0.114 4.241 4.340 0.024 0.000 0.224 73 L C 2.391 179.267 176.870 0.010 0.000 1.148 73 L CA 0.738 55.570 54.840 -0.014 0.000 0.825 73 L CB -0.570 41.484 42.059 -0.008 0.000 0.937 73 L HN 0.209 nan 8.230 nan 0.000 0.450 74 R N -0.101 120.409 120.500 0.016 0.000 2.280 74 R HA -0.007 4.348 4.340 0.024 0.000 0.207 74 R C 1.822 178.113 176.300 -0.016 0.000 1.043 74 R CA 0.996 57.121 56.100 0.042 0.000 1.006 74 R CB -0.014 30.343 30.300 0.096 0.000 0.885 74 R HN 0.350 nan 8.270 nan 0.000 0.467 75 A N -0.699 122.060 122.820 -0.101 0.000 2.141 75 A HA 0.182 4.516 4.320 0.024 0.000 0.201 75 A C 0.061 177.354 177.584 -0.485 0.000 1.344 75 A CA -0.063 51.774 52.037 -0.334 0.000 0.971 75 A CB 0.329 19.119 19.000 -0.351 0.000 1.035 75 A HN 0.198 nan 8.150 nan 0.000 0.480 76 H N -0.243 118.757 119.070 -0.117 0.000 2.710 76 H HA 0.545 5.115 4.556 0.024 0.000 0.361 76 H C 0.257 175.294 175.328 -0.485 0.000 1.175 76 H CA -0.026 55.834 56.048 -0.315 0.000 1.206 76 H CB 1.604 31.392 29.762 0.044 0.000 1.750 76 H HN 0.265 nan 8.280 nan 0.000 0.553 77 S N 0.481 115.886 115.700 -0.491 0.000 2.580 77 S HA 0.297 4.782 4.470 0.024 0.000 0.274 77 S C 1.390 175.978 174.600 -0.020 0.000 1.329 77 S CA -0.302 57.754 58.200 -0.240 0.000 1.036 77 S CB 1.405 64.524 63.200 -0.136 0.000 0.919 77 S HN 0.824 nan 8.310 nan 0.000 0.515 78 A N 2.849 125.677 122.820 0.013 0.000 1.978 78 A HA 0.068 4.403 4.320 0.024 0.000 0.220 78 A C 2.370 179.967 177.584 0.022 0.000 1.170 78 A CA 1.886 53.932 52.037 0.016 0.000 0.636 78 A CB -1.594 17.418 19.000 0.019 0.000 0.810 78 A HN 1.387 nan 8.150 nan 0.000 0.448 79 A N -1.000 121.842 122.820 0.037 0.000 1.898 79 A HA -0.145 4.189 4.320 0.024 0.000 0.216 79 A C 2.036 179.659 177.584 0.065 0.000 1.181 79 A CA 2.077 54.139 52.037 0.043 0.000 0.620 79 A CB -0.807 18.221 19.000 0.047 0.000 0.819 79 A HN 0.765 nan 8.150 nan 0.000 0.442 80 H N -0.515 118.546 119.070 -0.014 0.000 2.326 80 H HA -0.072 4.499 4.556 0.024 0.000 0.301 80 H C 1.775 177.131 175.328 0.046 0.000 1.081 80 H CA 1.724 57.766 56.048 -0.009 0.000 1.334 80 H CB -0.375 29.365 29.762 -0.037 0.000 1.385 80 H HN 0.281 nan 8.280 nan 0.000 0.504 81 L N 0.867 122.046 121.223 -0.073 0.000 1.990 81 L HA -0.163 4.192 4.340 0.024 0.000 0.213 81 L C 2.164 178.997 176.870 -0.060 0.000 1.072 81 L CA 2.043 56.841 54.840 -0.070 0.000 0.755 81 L CB -0.894 41.134 42.059 -0.051 0.000 0.889 81 L HN 0.300 nan 8.230 nan 0.000 0.432 82 E N -0.141 120.039 120.200 -0.034 0.000 2.070 82 E HA -0.302 4.062 4.350 0.024 0.000 0.197 82 E C 2.122 178.701 176.600 -0.034 0.000 1.004 82 E CA 1.616 58.002 56.400 -0.024 0.000 0.805 82 E CB -0.611 29.084 29.700 -0.008 0.000 0.744 82 E HN 0.592 nan 8.360 nan 0.000 0.451 83 N N -0.034 118.642 118.700 -0.040 0.000 2.205 83 N HA -0.140 4.615 4.740 0.024 0.000 0.186 83 N C 1.624 177.084 175.510 -0.082 0.000 1.015 83 N CA 1.173 54.199 53.050 -0.041 0.000 0.862 83 N CB -0.037 38.450 38.487 -0.000 0.000 0.986 83 N HN 0.049 nan 8.380 nan 0.000 0.429 84 M N 0.297 119.805 119.600 -0.154 0.000 2.156 84 M HA -0.009 4.485 4.480 0.024 0.000 0.264 84 M C 1.873 178.125 176.300 -0.079 0.000 1.067 84 M CA 1.110 56.306 55.300 -0.173 0.000 1.131 84 M CB -0.826 31.590 32.600 -0.306 0.000 1.368 84 M HN 0.101 nan 8.290 nan 0.000 0.416 85 K N -0.197 120.180 120.400 -0.038 0.000 2.074 85 K HA -0.194 4.140 4.320 0.024 0.000 0.209 85 K C 2.226 178.811 176.600 -0.025 0.000 1.048 85 K CA 1.499 57.775 56.287 -0.019 0.000 0.926 85 K CB -0.179 32.313 32.500 -0.013 0.000 0.713 85 K HN 0.205 nan 8.250 nan 0.000 0.444 86 R N 0.530 121.012 120.500 -0.030 0.000 2.070 86 R HA -0.133 4.222 4.340 0.024 0.000 0.233 86 R C 2.134 178.418 176.300 -0.026 0.000 1.137 86 R CA 1.576 57.661 56.100 -0.024 0.000 0.945 86 R CB -0.267 30.020 30.300 -0.021 0.000 0.845 86 R HN 0.016 nan 8.270 nan 0.000 0.430 87 V N 0.098 119.990 119.914 -0.036 0.000 2.295 87 V HA -0.237 3.898 4.120 0.024 0.000 0.246 87 V C 2.344 178.416 176.094 -0.035 0.000 1.049 87 V CA 2.131 64.409 62.300 -0.037 0.000 1.024 87 V CB -0.501 31.294 31.823 -0.047 0.000 0.648 87 V HN 0.435 nan 8.190 nan 0.000 0.447 88 S N -0.198 115.477 115.700 -0.041 0.000 2.419 88 S HA -0.188 4.297 4.470 0.024 0.000 0.233 88 S C 1.864 176.451 174.600 -0.021 0.000 1.016 88 S CA 1.477 59.658 58.200 -0.032 0.000 0.974 88 S CB -0.459 62.723 63.200 -0.030 0.000 0.786 88 S HN 0.636 nan 8.310 nan 0.000 0.492 89 N N 0.722 119.411 118.700 -0.019 0.000 2.416 89 N HA 0.113 4.868 4.740 0.024 0.000 0.177 89 N C 0.180 175.683 175.510 -0.012 0.000 1.036 89 N CA 0.094 53.135 53.050 -0.014 0.000 0.901 89 N CB -0.153 38.327 38.487 -0.012 0.000 0.976 89 N HN 0.436 nan 8.380 nan 0.000 0.444 90 L N 2.593 123.808 121.223 -0.014 0.000 2.543 90 L HA -0.033 4.321 4.340 0.024 0.000 0.285 90 L C -0.802 176.061 176.870 -0.011 0.000 1.236 90 L CA -0.823 54.010 54.840 -0.012 0.000 0.871 90 L CB -0.083 41.968 42.059 -0.014 0.000 1.121 90 L HN -0.010 nan 8.230 nan 0.000 0.501 91 P HA -0.161 nan 4.420 nan 0.000 0.217 91 P C 0.930 178.224 177.300 -0.009 0.000 1.148 91 P CA 1.686 64.781 63.100 -0.008 0.000 0.828 91 P CB 0.037 31.733 31.700 -0.007 0.000 0.783 92 T N -6.225 108.323 114.554 -0.011 0.000 3.091 92 T HA 0.541 4.906 4.350 0.024 0.000 0.277 92 T C 0.947 175.638 174.700 -0.016 0.000 0.996 92 T CA 0.230 62.322 62.100 -0.013 0.000 0.897 92 T CB 0.272 69.133 68.868 -0.012 0.000 1.109 92 T HN 0.354 nan 8.240 nan 0.000 0.534 93 G N 0.422 109.211 108.800 -0.017 0.000 2.488 93 G HA2 0.355 4.330 3.960 0.024 0.000 0.237 93 G HA3 0.355 4.330 3.960 0.024 0.000 0.237 93 G C 0.082 174.969 174.900 -0.022 0.000 1.209 93 G CA -0.393 44.694 45.100 -0.022 0.000 0.929 93 G HN 1.782 nan 8.290 nan 0.000 0.578 94 G N -1.287 107.497 108.800 -0.025 0.000 2.323 94 G HA2 0.547 4.522 3.960 0.024 0.000 0.291 94 G HA3 0.547 4.522 3.960 0.024 0.000 0.291 94 G C -1.722 173.165 174.900 -0.021 0.000 1.278 94 G CA 0.756 45.844 45.100 -0.021 0.000 0.860 94 G HN 1.488 nan 8.290 nan 0.000 0.504 95 D N -0.040 120.352 120.400 -0.013 0.000 2.308 95 D HA 0.431 5.085 4.640 0.024 0.000 0.251 95 D C 1.743 178.037 176.300 -0.010 0.000 1.127 95 D CA 0.577 54.573 54.000 -0.006 0.000 0.876 95 D CB 1.445 42.245 40.800 0.001 0.000 1.176 95 D HN 0.586 nan 8.370 nan 0.000 0.446 96 T N 0.607 115.156 114.554 -0.008 0.000 3.129 96 T HA 0.327 4.692 4.350 0.024 0.000 0.251 96 T C 1.275 175.978 174.700 0.004 0.000 1.117 96 T CA 0.382 62.475 62.100 -0.011 0.000 1.034 96 T CB 0.103 68.957 68.868 -0.023 0.000 0.968 96 T HN 0.613 nan 8.240 nan 0.000 0.526 97 G N 1.835 110.638 108.800 0.005 0.000 2.613 97 G HA2 -0.101 3.873 3.960 0.024 0.000 0.199 97 G HA3 -0.101 3.873 3.960 0.024 0.000 0.199 97 G C 0.314 175.215 174.900 0.003 0.000 0.991 97 G CA 0.333 45.436 45.100 0.004 0.000 0.756 97 G HN 0.621 nan 8.290 nan 0.000 0.515 98 D N -0.278 120.128 120.400 0.009 0.000 2.525 98 D HA 0.349 5.003 4.640 0.024 0.000 0.231 98 D C 1.632 177.945 176.300 0.022 0.000 1.216 98 D CA 0.687 54.695 54.000 0.013 0.000 0.813 98 D CB -0.323 40.486 40.800 0.015 0.000 1.108 98 D HN 1.421 nan 8.370 nan 0.000 0.524 99 G N 0.994 109.808 108.800 0.023 0.000 2.175 99 G HA2 -0.281 3.694 3.960 0.024 0.000 0.265 99 G HA3 -0.281 3.694 3.960 0.024 0.000 0.265 99 G C 0.770 175.700 174.900 0.050 0.000 0.979 99 G CA 0.765 45.882 45.100 0.029 0.000 0.663 99 G HN 0.419 nan 8.290 nan 0.000 0.533 100 I N -0.251 120.358 120.570 0.065 0.000 4.398 100 I HA 0.127 4.312 4.170 0.024 0.000 0.310 100 I C 0.769 176.991 176.117 0.175 0.000 1.232 100 I CA 1.091 62.466 61.300 0.124 0.000 1.312 100 I CB -0.159 37.888 38.000 0.080 0.000 1.347 100 I HN 0.083 nan 8.210 nan 0.000 0.454 101 T N 3.791 118.418 114.554 0.121 0.000 2.738 101 T HA 0.496 4.861 4.350 0.024 0.000 0.298 101 T C -0.121 174.603 174.700 0.040 0.000 0.962 101 T CA -0.019 62.156 62.100 0.125 0.000 0.972 101 T CB 1.197 70.124 68.868 0.098 0.000 0.928 101 T HN -0.163 nan 8.240 nan 0.000 0.474 102 M N 3.330 122.933 119.600 0.005 0.000 2.528 102 M HA 0.589 5.084 4.480 0.024 0.000 0.321 102 M C -0.573 175.695 176.300 -0.053 0.000 1.153 102 M CA -0.587 54.694 55.300 -0.032 0.000 0.951 102 M CB 1.957 34.527 32.600 -0.050 0.000 1.705 102 M HN 0.492 nan 8.290 nan 0.000 0.451 103 M N 1.127 120.694 119.600 -0.054 0.000 2.393 103 M HA 0.586 5.080 4.480 0.024 0.000 0.316 103 M C 0.350 176.623 176.300 -0.045 0.000 1.087 103 M CA -0.759 54.507 55.300 -0.058 0.000 0.937 103 M CB 2.005 34.563 32.600 -0.069 0.000 1.668 103 M HN 0.831 nan 8.290 nan 0.000 0.438 104 G N 1.388 110.164 108.800 -0.039 0.000 2.651 104 G HA2 0.083 4.057 3.960 0.024 0.000 0.260 104 G HA3 0.083 4.057 3.960 0.024 0.000 0.260 104 G C -0.355 174.532 174.900 -0.021 0.000 1.216 104 G CA -0.492 44.592 45.100 -0.028 0.000 0.913 104 G HN 0.812 nan 8.290 nan 0.000 0.535 105 N N -0.541 118.151 118.700 -0.014 0.000 2.447 105 N HA 0.351 5.106 4.740 0.024 0.000 0.263 105 N C 1.310 176.817 175.510 -0.004 0.000 1.226 105 N CA 1.423 54.467 53.050 -0.010 0.000 0.906 105 N CB 0.386 38.869 38.487 -0.007 0.000 1.060 105 N HN 1.127 nan 8.380 nan 0.000 0.468 106 G N 2.014 110.810 108.800 -0.007 0.000 2.155 106 G HA2 -0.265 3.710 3.960 0.024 0.000 0.257 106 G HA3 -0.265 3.710 3.960 0.024 0.000 0.257 106 G C 0.991 175.888 174.900 -0.004 0.000 0.983 106 G CA 0.462 45.560 45.100 -0.004 0.000 0.676 106 G HN 0.893 nan 8.290 nan 0.000 0.528 107 G N -0.018 108.775 108.800 -0.012 0.000 2.479 107 G HA2 0.047 4.022 3.960 0.024 0.000 0.220 107 G HA3 0.047 4.022 3.960 0.024 0.000 0.220 107 G C 1.673 176.562 174.900 -0.019 0.000 1.115 107 G CA 1.488 46.578 45.100 -0.017 0.000 0.757 107 G HN 0.919 nan 8.290 nan 0.000 0.560 108 L N 0.795 122.010 121.223 -0.013 0.000 2.079 108 L HA -0.033 4.322 4.340 0.024 0.000 0.210 108 L C 2.536 179.434 176.870 0.045 0.000 1.081 108 L CA 2.408 57.260 54.840 0.019 0.000 0.752 108 L CB -0.594 41.485 42.059 0.033 0.000 0.896 108 L HN 0.454 nan 8.230 nan 0.000 0.433 109 E N -0.176 120.032 120.200 0.014 0.000 2.065 109 E HA -0.291 4.073 4.350 0.024 0.000 0.201 109 E C 2.172 178.773 176.600 0.000 0.000 1.016 109 E CA 2.491 58.889 56.400 -0.003 0.000 0.818 109 E CB -0.297 29.385 29.700 -0.029 0.000 0.749 109 E HN 0.660 nan 8.360 nan 0.000 0.453 110 I N 0.677 121.248 120.570 0.001 0.000 2.226 110 I HA -0.245 3.940 4.170 0.024 0.000 0.245 110 I C 2.652 178.809 176.117 0.067 0.000 1.100 110 I CA 0.966 62.279 61.300 0.023 0.000 1.374 110 I CB -0.469 37.542 38.000 0.020 0.000 1.057 110 I HN 0.176 nan 8.210 nan 0.000 0.413 111 A N 1.096 123.953 122.820 0.060 0.000 1.902 111 A HA -0.179 4.155 4.320 0.024 0.000 0.217 111 A C 2.446 180.174 177.584 0.242 0.000 1.181 111 A CA 1.360 53.462 52.037 0.109 0.000 0.623 111 A CB -0.545 18.452 19.000 -0.005 0.000 0.818 111 A HN 0.306 nan 8.150 nan 0.000 0.443 112 R N -0.685 119.938 120.500 0.205 0.000 2.091 112 R HA -0.066 4.288 4.340 0.024 0.000 0.238 112 R C 2.009 178.348 176.300 0.064 0.000 1.136 112 R CA 1.549 57.718 56.100 0.114 0.000 0.959 112 R CB -0.511 29.821 30.300 0.053 0.000 0.856 112 R HN 0.504 nan 8.270 nan 0.000 0.437 113 L N -0.061 121.201 121.223 0.064 0.000 2.156 113 L HA -0.130 4.224 4.340 0.024 0.000 0.208 113 L C 2.624 179.607 176.870 0.190 0.000 1.095 113 L CA 0.803 55.684 54.840 0.067 0.000 0.770 113 L CB -0.310 41.740 42.059 -0.013 0.000 0.914 113 L HN 0.199 nan 8.230 nan 0.000 0.439 114 S N -0.177 115.626 115.700 0.171 0.000 2.345 114 S HA -0.172 4.313 4.470 0.024 0.000 0.220 114 S C 2.175 176.765 174.600 -0.018 0.000 1.031 114 S CA 1.311 59.492 58.200 -0.033 0.000 0.996 114 S CB -0.093 63.035 63.200 -0.120 0.000 0.882 114 S HN 0.432 nan 8.310 nan 0.000 0.445 115 A N 0.718 123.571 122.820 0.054 0.000 1.902 115 A HA 0.096 4.431 4.320 0.024 0.000 0.217 115 A C 2.319 179.896 177.584 -0.011 0.000 1.181 115 A CA 1.844 53.909 52.037 0.047 0.000 0.623 115 A CB -1.561 17.493 19.000 0.090 0.000 0.818 115 A HN 0.642 nan 8.150 nan 0.000 0.443 116 G N -0.950 107.840 108.800 -0.016 0.000 2.471 116 G HA2 0.121 4.095 3.960 0.024 0.000 0.219 116 G HA3 0.121 4.095 3.960 0.024 0.000 0.219 116 G C 1.385 176.251 174.900 -0.056 0.000 1.125 116 G CA 1.152 46.218 45.100 -0.058 0.000 0.775 116 G HN 0.681 nan 8.290 nan 0.000 0.548 117 G N 1.128 109.926 108.800 -0.003 0.000 2.402 117 G HA2 0.071 4.045 3.960 0.024 0.000 0.216 117 G HA3 0.071 4.045 3.960 0.024 0.000 0.216 117 G C 2.020 176.896 174.900 -0.039 0.000 1.162 117 G CA 1.383 46.487 45.100 0.008 0.000 0.777 117 G HN 0.546 nan 8.290 nan 0.000 0.539 118 A N 0.141 122.929 122.820 -0.054 0.000 1.902 118 A HA 0.082 4.416 4.320 0.024 0.000 0.217 118 A C 2.603 180.133 177.584 -0.090 0.000 1.181 118 A CA 1.817 53.813 52.037 -0.067 0.000 0.623 118 A CB -0.634 18.332 19.000 -0.057 0.000 0.818 118 A HN 0.245 nan 8.150 nan 0.000 0.443 119 V N 0.057 119.891 119.914 -0.134 0.000 2.295 119 V HA -0.201 3.933 4.120 0.024 0.000 0.246 119 V C 2.637 178.549 176.094 -0.304 0.000 1.049 119 V CA 2.117 64.249 62.300 -0.280 0.000 1.024 119 V CB -0.681 30.913 31.823 -0.383 0.000 0.648 119 V HN 0.489 nan 8.190 nan 0.000 0.447 120 E N -0.105 119.974 120.200 -0.202 0.000 2.085 120 E HA -0.188 4.176 4.350 0.024 0.000 0.194 120 E C 2.187 178.741 176.600 -0.077 0.000 0.994 120 E CA 1.181 57.497 56.400 -0.140 0.000 0.801 120 E CB -0.376 29.269 29.700 -0.092 0.000 0.743 120 E HN 0.469 nan 8.360 nan 0.000 0.453 121 L N 0.679 121.871 121.223 -0.052 0.000 2.056 121 L HA -0.160 4.195 4.340 0.024 0.000 0.207 121 L C 2.225 179.094 176.870 -0.002 0.000 1.078 121 L CA 1.393 56.229 54.840 -0.007 0.000 0.749 121 L CB -0.411 41.652 42.059 0.006 0.000 0.901 121 L HN 0.177 nan 8.230 nan 0.000 0.433 122 T N -0.774 113.764 114.554 -0.027 0.000 2.684 122 T HA -0.265 4.100 4.350 0.024 0.000 0.267 122 T C 1.908 176.639 174.700 0.053 0.000 1.036 122 T CA 1.556 63.660 62.100 0.007 0.000 1.148 122 T CB -0.229 68.643 68.868 0.006 0.000 0.863 122 T HN 0.316 nan 8.240 nan 0.000 0.436 123 R N 0.901 121.414 120.500 0.022 0.000 2.080 123 R HA -0.065 4.289 4.340 0.024 0.000 0.236 123 R C 2.484 178.832 176.300 0.080 0.000 1.137 123 R CA 1.512 57.681 56.100 0.115 0.000 0.943 123 R CB -0.083 30.239 30.300 0.036 0.000 0.846 123 R HN 0.310 nan 8.270 nan 0.000 0.431 124 R N -0.356 120.169 120.500 0.042 0.000 2.193 124 R HA -0.002 4.353 4.340 0.024 0.000 0.213 124 R C 2.172 178.501 176.300 0.049 0.000 1.055 124 R CA 0.788 56.914 56.100 0.043 0.000 0.995 124 R CB 0.102 30.422 30.300 0.035 0.000 0.893 124 R HN 0.128 nan 8.270 nan 0.000 0.459 125 V N 0.668 120.613 119.914 0.051 0.000 2.407 125 V HA -0.135 4.000 4.120 0.024 0.000 0.245 125 V C 2.300 178.423 176.094 0.047 0.000 1.041 125 V CA 1.892 64.224 62.300 0.053 0.000 1.040 125 V CB -0.313 31.542 31.823 0.054 0.000 0.671 125 V HN 0.353 nan 8.190 nan 0.000 0.455 126 A N -0.906 121.944 122.820 0.051 0.000 1.968 126 A HA -0.174 4.161 4.320 0.024 0.000 0.217 126 A C 2.331 179.938 177.584 0.038 0.000 1.169 126 A CA 2.062 54.124 52.037 0.043 0.000 0.638 126 A CB -0.763 18.270 19.000 0.056 0.000 0.812 126 A HN 0.441 nan 8.150 nan 0.000 0.446 127 T N -0.933 113.648 114.554 0.045 0.000 3.007 127 T HA 0.200 4.565 4.350 0.024 0.000 0.270 127 T C 1.486 176.205 174.700 0.032 0.000 1.107 127 T CA 1.647 63.770 62.100 0.038 0.000 1.118 127 T CB -0.342 68.552 68.868 0.044 0.000 0.889 127 T HN 1.422 nan 8.240 nan 0.000 0.506 128 G N 1.009 109.830 108.800 0.035 0.000 2.179 128 G HA2 -0.286 3.689 3.960 0.024 0.000 0.260 128 G HA3 -0.286 3.689 3.960 0.024 0.000 0.260 128 G C 0.708 175.630 174.900 0.037 0.000 0.977 128 G CA 0.717 45.837 45.100 0.034 0.000 0.641 128 G HN 0.555 nan 8.290 nan 0.000 0.533 129 E N -0.570 119.654 120.200 0.039 0.000 2.106 129 E HA 0.088 4.453 4.350 0.024 0.000 0.192 129 E C 0.990 177.619 176.600 0.048 0.000 0.984 129 E CA 0.691 57.115 56.400 0.040 0.000 0.806 129 E CB -0.032 29.691 29.700 0.038 0.000 0.750 129 E HN 0.636 nan 8.360 nan 0.000 0.458 130 L N -0.326 120.930 121.223 0.055 0.000 2.341 130 L HA 0.227 4.582 4.340 0.024 0.000 0.267 130 L C 1.135 178.046 176.870 0.068 0.000 1.009 130 L CA -0.486 54.395 54.840 0.067 0.000 0.819 130 L CB 2.016 44.123 42.059 0.079 0.000 1.323 130 L HN -0.084 nan 8.230 nan 0.000 0.425 131 S N -0.122 115.625 115.700 0.077 0.000 2.458 131 S HA 0.496 4.981 4.470 0.024 0.000 0.223 131 S C 0.516 175.174 174.600 0.096 0.000 1.019 131 S CA 0.336 58.583 58.200 0.078 0.000 0.937 131 S CB 0.284 63.530 63.200 0.076 0.000 0.788 131 S HN 0.787 nan 8.310 nan 0.000 0.511 132 A N -0.718 122.174 122.820 0.119 0.000 2.511 132 A HA 0.798 5.133 4.320 0.024 0.000 0.293 132 A C -0.396 177.298 177.584 0.183 0.000 1.098 132 A CA -0.377 51.755 52.037 0.158 0.000 0.643 132 A CB 0.588 19.709 19.000 0.203 0.000 1.302 132 A HN 1.221 nan 8.150 nan 0.000 0.446 133 G N -1.801 107.144 108.800 0.241 0.000 2.523 133 G HA2 0.566 4.540 3.960 0.024 0.000 0.291 133 G HA3 0.566 4.540 3.960 0.024 0.000 0.291 133 G C -2.281 172.838 174.900 0.364 0.000 1.450 133 G CA -0.359 44.905 45.100 0.273 0.000 0.790 133 G HN 1.447 nan 8.290 nan 0.000 0.496 134 Y N 0.649 121.115 120.300 0.275 0.000 2.331 134 Y HA 0.615 5.180 4.550 0.024 0.000 0.334 134 Y C 0.107 176.109 175.900 0.169 0.000 0.960 134 Y CA -0.628 57.645 58.100 0.288 0.000 1.130 134 Y CB 1.935 40.577 38.460 0.303 0.000 1.164 134 Y HN 0.812 nan 8.280 nan 0.000 0.458 135 A N 7.306 130.135 122.820 0.015 0.000 2.280 135 A HA 0.375 4.710 4.320 0.024 0.000 0.320 135 A C -0.992 176.637 177.584 0.075 0.000 1.366 135 A CA -0.638 51.409 52.037 0.016 0.000 0.938 135 A CB 0.138 19.108 19.000 -0.050 0.000 1.157 135 A HN 0.903 nan 8.150 nan 0.000 0.536 136 L N 5.299 126.621 121.223 0.166 0.000 2.423 136 L HA 0.263 4.618 4.340 0.024 0.000 0.249 136 L C 0.158 177.086 176.870 0.096 0.000 1.276 136 L CA -0.412 54.590 54.840 0.271 0.000 1.199 136 L CB -0.183 41.999 42.059 0.205 0.000 1.407 136 L HN 0.654 nan 8.230 nan 0.000 0.410 137 V N 0.357 120.147 119.914 -0.207 0.000 2.997 137 V HA 0.626 4.761 4.120 0.024 0.000 0.311 137 V C -0.341 175.379 176.094 -0.623 0.000 1.066 137 V CA -0.619 61.165 62.300 -0.861 0.000 1.039 137 V CB 1.817 33.284 31.823 -0.593 0.000 1.081 137 V HN 0.685 nan 8.190 nan 0.000 0.467 138 N N 1.756 119.929 118.700 -0.878 0.000 2.521 138 N HA 0.523 5.278 4.740 0.024 0.000 0.269 138 N C -3.209 172.160 175.510 -0.234 0.000 1.079 138 N CA -1.087 51.779 53.050 -0.307 0.000 0.980 138 N CB 2.793 41.225 38.487 -0.091 0.000 1.667 138 N HN 0.626 nan 8.380 nan 0.000 0.498 139 P HA 0.276 nan 4.420 nan 0.000 0.272 139 P C -2.657 174.635 177.300 -0.014 0.000 1.240 139 P CA -0.719 62.366 63.100 -0.026 0.000 0.791 139 P CB 0.207 31.906 31.700 -0.001 0.000 0.978 140 P HA 0.151 nan 4.420 nan 0.000 0.297 140 P C 0.466 177.830 177.300 0.108 0.000 1.303 140 P CA 0.143 63.293 63.100 0.083 0.000 0.753 140 P CB 0.442 32.245 31.700 0.170 0.000 1.281 141 G N -1.752 107.120 108.800 0.121 0.000 2.597 141 G HA2 -0.032 3.942 3.960 0.024 0.000 0.196 141 G HA3 -0.032 3.942 3.960 0.024 0.000 0.196 141 G C 1.093 176.097 174.900 0.173 0.000 1.176 141 G CA 0.347 45.534 45.100 0.145 0.000 0.747 141 G HN 0.713 nan 8.290 nan 0.000 0.821 142 H N -1.374 117.645 119.070 -0.085 0.000 2.546 142 H HA 0.170 4.741 4.556 0.025 0.000 0.277 142 H C 1.846 177.073 175.328 -0.170 0.000 1.004 142 H CA 0.862 56.825 56.048 -0.141 0.000 1.231 142 H CB -0.055 29.595 29.762 -0.187 0.000 1.382 142 H HN 0.288 nan 8.280 nan 0.000 0.580 143 H N 1.035 120.033 119.070 -0.120 0.000 2.525 143 H HA 0.340 4.911 4.556 0.025 0.000 0.275 143 H C 0.880 176.159 175.328 -0.082 0.000 0.984 143 H CA 0.495 56.436 56.048 -0.179 0.000 1.264 143 H CB 0.022 29.720 29.762 -0.106 0.000 1.432 143 H HN 0.499 nan 8.280 nan 0.000 0.549 144 A N 4.554 127.432 122.820 0.097 0.000 2.444 144 A HA 0.217 4.551 4.320 0.024 0.000 0.287 144 A C -1.930 175.715 177.584 0.102 0.000 1.195 144 A CA -1.031 51.045 52.037 0.065 0.000 0.858 144 A CB 0.087 19.142 19.000 0.091 0.000 1.117 144 A HN 0.096 nan 8.150 nan 0.000 0.521 145 P HA 0.071 nan 4.420 nan 0.000 0.297 145 P C 0.628 177.967 177.300 0.066 0.000 1.303 145 P CA -0.153 62.946 63.100 -0.001 0.000 0.753 145 P CB 0.567 32.234 31.700 -0.054 0.000 1.281 146 H N -0.176 118.848 119.070 -0.077 0.000 2.319 146 H HA -0.138 4.432 4.556 0.024 0.000 0.297 146 H C 1.303 176.682 175.328 0.085 0.000 1.097 146 H CA 2.263 58.281 56.048 -0.051 0.000 1.285 146 H CB -0.109 29.580 29.762 -0.121 0.000 1.368 146 H HN 0.365 nan 8.280 nan 0.000 0.495 147 N N -0.190 118.500 118.700 -0.018 0.000 2.338 147 N HA 0.312 5.067 4.740 0.024 0.000 0.251 147 N C -1.191 174.205 175.510 -0.190 0.000 1.199 147 N CA 0.437 53.438 53.050 -0.080 0.000 0.879 147 N CB 0.456 38.964 38.487 0.035 0.000 1.159 147 N HN 0.383 nan 8.380 nan 0.000 0.514 148 A N -0.134 122.408 122.820 -0.464 0.000 2.610 148 A HA 0.745 5.080 4.320 0.024 0.000 0.291 148 A C -1.549 175.659 177.584 -0.627 0.000 1.086 148 A CA -0.583 51.195 52.037 -0.431 0.000 0.677 148 A CB 1.000 19.900 19.000 -0.168 0.000 1.278 148 A HN 0.169 nan 8.150 nan 0.000 0.414 149 A N 0.540 123.230 122.820 -0.216 0.000 2.312 149 A HA 0.910 5.245 4.320 0.024 0.000 0.328 149 A C -0.361 177.197 177.584 -0.043 0.000 1.158 149 A CA -0.313 51.677 52.037 -0.078 0.000 0.821 149 A CB 0.987 20.003 19.000 0.027 0.000 1.170 149 A HN 1.757 nan 8.150 nan 0.000 0.490 150 M N 1.489 121.088 119.600 -0.001 0.000 2.449 150 M HA 0.479 4.974 4.480 0.024 0.000 0.291 150 M C 0.238 176.569 176.300 0.053 0.000 1.148 150 M CA 0.770 56.082 55.300 0.021 0.000 0.925 150 M CB 1.691 34.289 32.600 -0.003 0.000 1.767 150 M HN 2.069 nan 8.290 nan 0.000 0.503 151 G N 3.663 112.431 108.800 -0.053 0.000 2.371 151 G HA2 -0.271 3.704 3.960 0.024 0.000 0.299 151 G HA3 -0.271 3.704 3.960 0.024 0.000 0.299 151 G C 0.106 174.788 174.900 -0.362 0.000 1.014 151 G CA 0.835 45.694 45.100 -0.403 0.000 1.097 151 G HN 1.285 nan 8.290 nan 0.000 0.512 152 F N -4.669 115.319 119.950 0.063 0.000 2.748 152 F HA -0.308 4.233 4.527 0.024 0.000 0.370 152 F C 1.283 177.120 175.800 0.062 0.000 0.620 152 F CA 0.175 58.212 58.000 0.062 0.000 1.233 152 F CB -2.146 36.920 39.000 0.110 0.000 1.708 152 F HN 0.533 nan 8.300 nan 0.000 0.298 153 C N 2.256 121.674 119.300 0.196 0.000 2.273 153 C HA 0.470 4.945 4.460 0.024 0.000 0.328 153 C C 1.880 176.874 174.990 0.006 0.000 1.275 153 C CA -0.927 58.164 59.018 0.121 0.000 1.704 153 C CB 0.483 28.314 27.740 0.152 0.000 2.326 153 C HN 0.243 nan 8.230 nan 0.000 0.517 154 I N 1.017 121.523 120.570 -0.106 0.000 2.364 154 I HA 0.207 4.391 4.170 0.024 0.000 0.241 154 I C 0.363 176.164 176.117 -0.526 0.000 1.082 154 I CA 1.254 62.327 61.300 -0.379 0.000 1.401 154 I CB -0.605 37.055 38.000 -0.566 0.000 1.126 154 I HN 0.388 nan 8.210 nan 0.000 0.429 155 F N 0.518 120.489 119.950 0.036 0.000 2.561 155 F HA 0.380 4.922 4.527 0.024 0.000 0.321 155 F C 0.766 176.687 175.800 0.203 0.000 1.065 155 F CA -1.511 56.524 58.000 0.057 0.000 0.934 155 F CB 0.356 39.401 39.000 0.074 0.000 1.215 155 F HN -0.107 nan 8.300 nan 0.000 0.471 156 N N 2.665 121.754 118.700 0.649 0.000 2.508 156 N HA 0.006 4.761 4.740 0.024 0.000 0.253 156 N C 0.565 176.233 175.510 0.263 0.000 1.145 156 N CA 0.189 53.452 53.050 0.356 0.000 0.973 156 N CB 0.116 38.756 38.487 0.255 0.000 1.305 156 N HN 0.556 nan 8.380 nan 0.000 0.506 157 N N 1.138 119.949 118.700 0.185 0.000 2.149 157 N HA -0.159 4.596 4.740 0.024 0.000 0.188 157 N C 1.595 177.153 175.510 0.081 0.000 1.019 157 N CA 1.740 54.858 53.050 0.114 0.000 0.857 157 N CB -0.224 38.288 38.487 0.041 0.000 0.997 157 N HN 0.612 nan 8.380 nan 0.000 0.426 158 T N -2.008 112.591 114.554 0.075 0.000 2.896 158 T HA 0.082 4.447 4.350 0.024 0.000 0.263 158 T C 2.138 176.923 174.700 0.141 0.000 1.050 158 T CA 0.964 63.096 62.100 0.053 0.000 1.140 158 T CB -0.324 68.543 68.868 -0.002 0.000 0.877 158 T HN -0.017 nan 8.240 nan 0.000 0.457 159 S N 1.263 117.109 115.700 0.244 0.000 2.383 159 S HA -0.019 4.465 4.470 0.024 0.000 0.227 159 S C 2.238 177.043 174.600 0.342 0.000 1.026 159 S CA 0.978 59.450 58.200 0.453 0.000 0.981 159 S CB -0.607 62.790 63.200 0.327 0.000 0.818 159 S HN 0.388 nan 8.310 nan 0.000 0.472 160 V N 2.200 122.223 119.914 0.183 0.000 2.282 160 V HA -0.269 3.865 4.120 0.024 0.000 0.249 160 V C 2.662 178.850 176.094 0.157 0.000 1.057 160 V CA 1.931 64.314 62.300 0.139 0.000 1.032 160 V CB -1.222 30.655 31.823 0.090 0.000 0.645 160 V HN 0.563 nan 8.190 nan 0.000 0.447 161 A N -0.326 122.564 122.820 0.117 0.000 1.929 161 A HA 0.008 4.342 4.320 0.024 0.000 0.216 161 A C 2.398 180.062 177.584 0.133 0.000 1.176 161 A CA 1.785 53.876 52.037 0.090 0.000 0.628 161 A CB -0.705 18.304 19.000 0.015 0.000 0.816 161 A HN 0.573 nan 8.150 nan 0.000 0.444 162 A N -0.428 122.455 122.820 0.105 0.000 1.933 162 A HA 0.136 4.470 4.320 0.024 0.000 0.218 162 A C 2.332 179.962 177.584 0.077 0.000 1.175 162 A CA 1.830 53.872 52.037 0.010 0.000 0.628 162 A CB -1.200 17.703 19.000 -0.160 0.000 0.814 162 A HN 0.678 nan 8.150 nan 0.000 0.444 163 G N -2.031 106.944 108.800 0.291 0.000 2.403 163 G HA2 -0.208 3.767 3.960 0.024 0.000 0.216 163 G HA3 -0.208 3.767 3.960 0.024 0.000 0.216 163 G C 1.518 176.536 174.900 0.196 0.000 1.154 163 G CA 1.104 46.406 45.100 0.337 0.000 0.784 163 G HN 0.581 nan 8.290 nan 0.000 0.538 164 Y N 1.887 122.230 120.300 0.071 0.000 2.200 164 Y HA 0.045 4.609 4.550 0.024 0.000 0.290 164 Y C 2.877 178.783 175.900 0.011 0.000 1.137 164 Y CA 1.413 59.532 58.100 0.031 0.000 1.163 164 Y CB -0.138 38.334 38.460 0.019 0.000 0.988 164 Y HN 0.237 nan 8.280 nan 0.000 0.518 165 A N 0.722 123.615 122.820 0.122 0.000 1.930 165 A HA -0.132 4.203 4.320 0.024 0.000 0.217 165 A C 2.305 179.846 177.584 -0.071 0.000 1.175 165 A CA 1.360 53.407 52.037 0.018 0.000 0.627 165 A CB -0.444 18.577 19.000 0.036 0.000 0.815 165 A HN 0.399 nan 8.150 nan 0.000 0.443 166 R N -0.527 119.941 120.500 -0.053 0.000 2.070 166 R HA -0.049 4.305 4.340 0.024 0.000 0.227 166 R C 2.547 178.804 176.300 -0.072 0.000 1.147 166 R CA 1.541 57.607 56.100 -0.057 0.000 0.924 166 R CB -1.007 29.282 30.300 -0.019 0.000 0.827 166 R HN 0.488 nan 8.270 nan 0.000 0.431 167 A N 0.462 123.242 122.820 -0.068 0.000 1.897 167 A HA -0.053 4.281 4.320 0.024 0.000 0.215 167 A C 2.406 179.895 177.584 -0.157 0.000 1.181 167 A CA 1.327 53.314 52.037 -0.082 0.000 0.620 167 A CB -0.333 18.643 19.000 -0.040 0.000 0.821 167 A HN 0.136 nan 8.150 nan 0.000 0.443 168 V N -0.496 119.235 119.914 -0.304 0.000 2.599 168 V HA -0.011 4.124 4.120 0.024 0.000 0.245 168 V C 2.134 178.036 176.094 -0.320 0.000 1.046 168 V CA 1.323 63.380 62.300 -0.404 0.000 1.065 168 V CB -0.428 30.895 31.823 -0.834 0.000 0.703 168 V HN 0.499 nan 8.190 nan 0.000 0.464 169 L N 0.120 121.159 121.223 -0.307 0.000 2.554 169 L HA 0.417 4.771 4.340 0.024 0.000 0.225 169 L C 1.724 178.530 176.870 -0.107 0.000 1.104 169 L CA 0.842 55.579 54.840 -0.172 0.000 0.866 169 L CB -0.076 41.911 42.059 -0.120 0.000 1.047 169 L HN 0.519 nan 8.230 nan 0.000 0.468 170 G N 0.555 109.290 108.800 -0.108 0.000 2.143 170 G HA2 -0.296 3.679 3.960 0.024 0.000 0.249 170 G HA3 -0.296 3.679 3.960 0.024 0.000 0.249 170 G C 0.289 175.146 174.900 -0.072 0.000 0.981 170 G CA -0.113 44.939 45.100 -0.079 0.000 0.665 170 G HN 0.216 nan 8.290 nan 0.000 0.528 171 M N 0.580 120.135 119.600 -0.075 0.000 2.245 171 M HA 0.227 4.722 4.480 0.024 0.000 0.344 171 M C 1.532 177.780 176.300 -0.087 0.000 1.170 171 M CA 0.132 55.387 55.300 -0.075 0.000 1.135 171 M CB 0.466 33.024 32.600 -0.070 0.000 1.574 171 M HN 0.174 nan 8.290 nan 0.000 0.452 172 E N 2.359 122.499 120.200 -0.100 0.000 2.170 172 E HA 0.053 4.418 4.350 0.024 0.000 0.191 172 E C 0.086 176.600 176.600 -0.143 0.000 0.981 172 E CA 0.934 57.265 56.400 -0.115 0.000 0.830 172 E CB 0.317 29.941 29.700 -0.127 0.000 0.775 172 E HN 0.579 nan 8.360 nan 0.000 0.470 173 R N 0.536 120.940 120.500 -0.160 0.000 2.533 173 R HA 0.497 4.851 4.340 0.024 0.000 0.288 173 R C -1.233 175.026 176.300 -0.068 0.000 1.039 173 R CA -0.359 55.637 56.100 -0.174 0.000 0.909 173 R CB 2.559 32.577 30.300 -0.470 0.000 1.195 173 R HN -0.163 nan 8.270 nan 0.000 0.438 174 V N 1.537 121.449 119.914 -0.002 0.000 2.735 174 V HA 0.735 4.869 4.120 0.024 0.000 0.310 174 V C -0.494 175.598 176.094 -0.004 0.000 1.061 174 V CA -0.910 61.362 62.300 -0.047 0.000 0.913 174 V CB 2.002 33.715 31.823 -0.183 0.000 1.005 174 V HN 0.890 nan 8.190 nan 0.000 0.428 175 A N 4.891 127.695 122.820 -0.027 0.000 2.330 175 A HA 0.906 5.240 4.320 0.024 0.000 0.327 175 A C -0.807 176.684 177.584 -0.156 0.000 1.155 175 A CA -0.521 51.447 52.037 -0.115 0.000 0.803 175 A CB 0.732 19.702 19.000 -0.049 0.000 1.208 175 A HN 0.763 nan 8.150 nan 0.000 0.477 176 I N 2.922 123.387 120.570 -0.175 0.000 2.354 176 I HA 0.270 4.455 4.170 0.024 0.000 0.286 176 I C -0.743 175.304 176.117 -0.117 0.000 1.007 176 I CA -0.612 60.600 61.300 -0.148 0.000 1.167 176 I CB 1.506 39.444 38.000 -0.104 0.000 1.320 176 I HN 0.548 nan 8.210 nan 0.000 0.458 177 L N 6.785 127.911 121.223 -0.161 0.000 2.264 177 L HA 0.485 4.840 4.340 0.024 0.000 0.289 177 L C -0.669 176.086 176.870 -0.192 0.000 1.044 177 L CA 0.236 55.000 54.840 -0.126 0.000 0.807 177 L CB 1.005 42.991 42.059 -0.123 0.000 1.192 177 L HN 0.460 nan 8.230 nan 0.000 0.425 178 D N 4.504 124.876 120.400 -0.047 0.000 2.453 178 D HA 0.239 4.894 4.640 0.024 0.000 0.238 178 D C -0.427 175.965 176.300 0.152 0.000 1.088 178 D CA -0.475 53.498 54.000 -0.045 0.000 0.854 178 D CB 0.625 41.465 40.800 0.066 0.000 1.076 178 D HN 0.564 nan 8.370 nan 0.000 0.533 179 W N 3.582 124.956 121.300 0.124 0.000 2.966 179 W HA 0.374 5.048 4.660 0.022 0.000 0.406 179 W C -0.011 176.614 176.519 0.176 0.000 1.027 179 W CA -1.025 56.450 57.345 0.218 0.000 1.930 179 W CB -0.797 28.827 29.460 0.273 0.000 1.144 179 W HN 0.142 nan 8.180 nan 0.000 0.626 180 D N 1.392 121.954 120.400 0.270 0.000 2.449 180 D HA -0.124 4.530 4.640 0.024 0.000 0.236 180 D C 1.195 177.700 176.300 0.342 0.000 1.149 180 D CA 0.315 54.433 54.000 0.196 0.000 0.878 180 D CB 2.302 43.016 40.800 -0.144 0.000 1.198 180 D HN 0.052 nan 8.370 nan 0.000 0.446 181 V N 3.729 123.794 119.914 0.252 0.000 3.305 181 V HA -0.115 4.020 4.120 0.024 0.000 0.269 181 V C 0.194 176.385 176.094 0.162 0.000 1.157 181 V CA 1.270 63.681 62.300 0.185 0.000 1.157 181 V CB -0.746 31.081 31.823 0.006 0.000 0.772 181 V HN 0.479 nan 8.190 nan 0.000 0.498 182 H N -1.157 118.220 119.070 0.512 0.000 2.533 182 H HA 0.447 5.017 4.556 0.024 0.000 0.343 182 H C -0.192 175.400 175.328 0.441 0.000 1.160 182 H CA -0.719 55.630 56.048 0.501 0.000 1.218 182 H CB 0.736 30.864 29.762 0.610 0.000 1.566 182 H HN 0.326 nan 8.280 nan 0.000 0.522 183 H N 0.804 119.982 119.070 0.180 0.000 3.004 183 H HA 0.081 4.652 4.556 0.024 0.000 0.316 183 H C 0.691 175.988 175.328 -0.051 0.000 1.014 183 H CA -0.214 55.699 56.048 -0.224 0.000 1.454 183 H CB 0.427 29.866 29.762 -0.538 0.000 1.472 183 H HN 0.856 nan 8.280 nan 0.000 0.571 184 G N 5.140 113.706 108.800 -0.390 0.000 3.197 184 G HA2 -0.112 3.863 3.960 0.024 0.000 0.257 184 G HA3 -0.112 3.863 3.960 0.024 0.000 0.257 184 G C 1.052 175.567 174.900 -0.642 0.000 0.835 184 G CA -0.059 44.809 45.100 -0.387 0.000 2.001 184 G HN 0.903 nan 8.290 nan 0.000 0.625 185 N N 0.853 119.069 118.700 -0.807 0.000 2.289 185 N HA -0.106 4.648 4.740 0.024 0.000 0.184 185 N C 1.997 177.389 175.510 -0.198 0.000 1.016 185 N CA 1.286 54.033 53.050 -0.505 0.000 0.872 185 N CB -0.296 38.035 38.487 -0.260 0.000 0.973 185 N HN 0.290 nan 8.380 nan 0.000 0.433 186 G N 0.765 109.476 108.800 -0.148 0.000 2.394 186 G HA2 -0.178 3.797 3.960 0.024 0.000 0.214 186 G HA3 -0.178 3.797 3.960 0.024 0.000 0.214 186 G C 1.511 176.397 174.900 -0.023 0.000 1.176 186 G CA 1.367 46.433 45.100 -0.056 0.000 0.786 186 G HN 0.388 nan 8.290 nan 0.000 0.533 187 T N 0.516 115.082 114.554 0.021 0.000 2.746 187 T HA -0.166 4.199 4.350 0.024 0.000 0.267 187 T C 2.256 177.084 174.700 0.215 0.000 1.039 187 T CA 1.589 63.776 62.100 0.145 0.000 1.142 187 T CB -0.264 68.716 68.868 0.187 0.000 0.866 187 T HN 0.429 nan 8.240 nan 0.000 0.444 188 Q N 0.880 120.776 119.800 0.159 0.000 2.061 188 Q HA -0.232 4.122 4.340 0.024 0.000 0.204 188 Q C 2.119 178.289 176.000 0.284 0.000 0.984 188 Q CA 2.168 58.138 55.803 0.278 0.000 0.846 188 Q CB -0.279 28.621 28.738 0.269 0.000 0.902 188 Q HN 0.534 nan 8.270 nan 0.000 0.421 189 D N -0.148 120.294 120.400 0.070 0.000 2.092 189 D HA -0.187 4.468 4.640 0.024 0.000 0.193 189 D C 1.839 178.128 176.300 -0.018 0.000 0.994 189 D CA 1.850 55.835 54.000 -0.026 0.000 0.828 189 D CB -0.205 40.537 40.800 -0.097 0.000 0.963 189 D HN 0.399 nan 8.370 nan 0.000 0.450 190 I N -0.903 119.576 120.570 -0.153 0.000 2.264 190 I HA -0.194 3.990 4.170 0.024 0.000 0.248 190 I C 1.128 176.906 176.117 -0.566 0.000 1.111 190 I CA 0.999 62.015 61.300 -0.473 0.000 1.382 190 I CB -0.223 37.299 38.000 -0.796 0.000 1.060 190 I HN 0.245 nan 8.210 nan 0.000 0.418 191 W N -0.758 120.608 121.300 0.109 0.000 3.123 191 W HA 0.108 4.783 4.660 0.025 0.000 0.383 191 W C 1.919 178.533 176.519 0.158 0.000 1.102 191 W CA -0.772 56.632 57.345 0.097 0.000 1.865 191 W CB -0.431 29.064 29.460 0.057 0.000 1.111 191 W HN 0.165 nan 8.180 nan 0.000 0.621 192 W N 2.051 123.418 121.300 0.112 0.000 2.304 192 W HA -0.283 4.391 4.660 0.024 0.000 0.315 192 W C 0.868 177.455 176.519 0.114 0.000 1.233 192 W CA 1.741 59.145 57.345 0.099 0.000 1.261 192 W CB -0.198 29.287 29.460 0.043 0.000 1.150 192 W HN -0.088 nan 8.180 nan 0.000 0.494 193 N N 0.152 118.963 118.700 0.186 0.000 2.280 193 N HA -0.036 4.719 4.740 0.024 0.000 0.192 193 N C -0.727 174.833 175.510 0.082 0.000 1.109 193 N CA 0.614 53.711 53.050 0.078 0.000 0.855 193 N CB -0.035 38.519 38.487 0.111 0.000 0.974 193 N HN 0.029 nan 8.380 nan 0.000 0.482 194 D N 1.204 121.688 120.400 0.139 0.000 2.453 194 D HA 0.190 4.845 4.640 0.024 0.000 0.238 194 D C -1.822 174.524 176.300 0.076 0.000 1.088 194 D CA -1.949 52.140 54.000 0.149 0.000 0.854 194 D CB 2.229 43.216 40.800 0.312 0.000 1.076 194 D HN -0.030 nan 8.370 nan 0.000 0.533 195 P HA -0.060 nan 4.420 nan 0.000 0.237 195 P C 0.962 178.110 177.300 -0.255 0.000 1.178 195 P CA 0.436 63.333 63.100 -0.338 0.000 0.766 195 P CB 0.207 31.631 31.700 -0.460 0.000 0.876 196 S N -1.635 114.005 115.700 -0.100 0.000 2.558 196 S HA 0.109 4.593 4.470 0.024 0.000 0.217 196 S C 0.641 175.191 174.600 -0.083 0.000 0.975 196 S CA -0.142 58.015 58.200 -0.072 0.000 0.912 196 S CB -0.512 62.642 63.200 -0.076 0.000 0.776 196 S HN -0.093 nan 8.310 nan 0.000 0.526 197 V N 2.811 122.613 119.914 -0.187 0.000 2.409 197 V HA 0.468 4.602 4.120 0.024 0.000 0.290 197 V C -0.658 175.247 176.094 -0.315 0.000 1.017 197 V CA -0.880 61.169 62.300 -0.419 0.000 0.841 197 V CB 1.342 32.417 31.823 -1.247 0.000 1.003 197 V HN 0.491 nan 8.190 nan 0.000 0.426 198 L N 6.276 127.209 121.223 -0.483 0.000 2.313 198 L HA 0.653 5.007 4.340 0.024 0.000 0.282 198 L C 0.553 177.254 176.870 -0.282 0.000 1.092 198 L CA 0.747 55.264 54.840 -0.539 0.000 0.831 198 L CB 1.237 42.583 42.059 -1.188 0.000 1.159 198 L HN 0.823 nan 8.230 nan 0.000 0.442 199 T N 3.867 118.356 114.554 -0.109 0.000 2.779 199 T HA 0.717 5.081 4.350 0.024 0.000 0.280 199 T C -0.215 174.502 174.700 0.030 0.000 0.987 199 T CA -0.496 61.602 62.100 -0.004 0.000 0.966 199 T CB 0.678 69.630 68.868 0.139 0.000 0.933 199 T HN 0.478 nan 8.240 nan 0.000 0.442 200 I N 2.368 122.959 120.570 0.034 0.000 2.465 200 I HA 0.561 4.746 4.170 0.024 0.000 0.291 200 I C -0.032 176.175 176.117 0.149 0.000 1.014 200 I CA -0.798 60.548 61.300 0.076 0.000 1.093 200 I CB 2.267 40.288 38.000 0.035 0.000 1.267 200 I HN 0.677 nan 8.210 nan 0.000 0.431 201 S N 6.929 122.774 115.700 0.242 0.000 2.605 201 S HA 0.667 5.152 4.470 0.024 0.000 0.308 201 S C -0.801 174.009 174.600 0.351 0.000 1.113 201 S CA -0.628 57.801 58.200 0.382 0.000 1.049 201 S CB 0.672 64.217 63.200 0.576 0.000 1.001 201 S HN 0.445 nan 8.310 nan 0.000 0.480 202 L N 6.835 128.244 121.223 0.309 0.000 2.334 202 L HA 0.701 5.056 4.340 0.024 0.000 0.277 202 L C 0.127 177.186 176.870 0.314 0.000 1.075 202 L CA -0.766 54.162 54.840 0.147 0.000 0.804 202 L CB 0.847 43.010 42.059 0.173 0.000 1.174 202 L HN 0.753 nan 8.230 nan 0.000 0.438 203 H N 0.928 120.116 119.070 0.195 0.000 3.060 203 H HA 0.154 4.724 4.556 0.024 0.000 0.330 203 H C -1.579 173.854 175.328 0.175 0.000 1.305 203 H CA -0.973 55.219 56.048 0.241 0.000 1.209 203 H CB 1.511 31.449 29.762 0.294 0.000 1.913 203 H HN 0.623 nan 8.280 nan 0.000 0.534 204 Q N 1.810 121.801 119.800 0.318 0.000 2.274 204 Q HA -0.029 4.326 4.340 0.024 0.000 0.280 204 Q C -0.483 175.688 176.000 0.286 0.000 1.047 204 Q CA -0.127 55.819 55.803 0.238 0.000 0.907 204 Q CB 0.287 29.148 28.738 0.205 0.000 1.171 204 Q HN 0.568 nan 8.270 nan 0.000 0.381 205 H N 5.646 124.774 119.070 0.097 0.000 3.107 205 H HA -0.045 4.526 4.556 0.024 0.000 0.301 205 H C 0.117 175.459 175.328 0.024 0.000 0.981 205 H CA 0.434 56.508 56.048 0.042 0.000 1.443 205 H CB 0.177 29.916 29.762 -0.039 0.000 1.479 205 H HN 0.740 nan 8.280 nan 0.000 0.564 206 L N 3.804 124.840 121.223 -0.313 0.000 4.291 206 L HA -0.297 4.058 4.340 0.024 0.000 0.413 206 L C 1.942 178.775 176.870 -0.061 0.000 1.162 206 L CA 1.210 55.856 54.840 -0.323 0.000 0.961 206 L CB -2.417 39.336 42.059 -0.509 0.000 2.095 206 L HN 0.775 nan 8.230 nan 0.000 0.838 207 C N -0.941 118.417 119.300 0.097 0.000 2.518 207 C HA 0.238 4.712 4.460 0.024 0.000 0.279 207 C C 1.053 176.234 174.990 0.319 0.000 1.279 207 C CA 0.939 60.096 59.018 0.232 0.000 1.703 207 C CB -0.070 27.873 27.740 0.338 0.000 2.072 207 C HN 0.523 nan 8.230 nan 0.000 0.487 208 F N 0.645 120.677 119.950 0.136 0.000 2.669 208 F HA 0.517 5.059 4.527 0.024 0.000 0.315 208 F C -2.778 172.983 175.800 -0.065 0.000 1.109 208 F CA -1.785 56.172 58.000 -0.070 0.000 1.028 208 F CB 0.862 39.678 39.000 -0.307 0.000 1.287 208 F HN -0.040 nan 8.300 nan 0.000 0.452 209 P HA 0.285 nan 4.420 nan 0.000 0.273 209 P C -2.718 174.273 177.300 -0.514 0.000 1.250 209 P CA -1.052 61.237 63.100 -1.352 0.000 0.793 209 P CB 0.012 31.106 31.700 -1.010 0.000 1.011 210 P HA 0.062 nan 4.420 nan 0.000 0.274 210 P C -0.319 176.892 177.300 -0.148 0.000 1.231 210 P CA 0.308 63.301 63.100 -0.178 0.000 0.790 210 P CB -0.051 31.590 31.700 -0.099 0.000 0.951 211 D N -1.244 119.102 120.400 -0.089 0.000 2.689 211 D HA -0.156 4.499 4.640 0.024 0.000 0.237 211 D C -0.921 175.419 176.300 0.067 0.000 1.148 211 D CA 1.224 55.255 54.000 0.051 0.000 0.656 211 D CB -1.310 39.517 40.800 0.046 0.000 1.050 211 D HN 0.367 nan 8.370 nan 0.000 0.426 212 S N -1.118 114.537 115.700 -0.074 0.000 2.537 212 S HA 0.621 5.106 4.470 0.024 0.000 0.270 212 S C 0.685 175.063 174.600 -0.371 0.000 1.142 212 S CA 0.480 58.622 58.200 -0.098 0.000 0.870 212 S CB 1.565 64.723 63.200 -0.070 0.000 1.112 212 S HN 1.088 nan 8.310 nan 0.000 0.466 213 G N 1.706 110.145 108.800 -0.602 0.000 2.141 213 G HA2 -0.218 3.756 3.960 0.024 0.000 0.231 213 G HA3 -0.218 3.756 3.960 0.024 0.000 0.231 213 G C -0.230 174.608 174.900 -0.103 0.000 0.984 213 G CA 0.153 44.694 45.100 -0.931 0.000 0.660 213 G HN 0.705 nan 8.290 nan 0.000 0.525 214 Y N 1.529 121.840 120.300 0.019 0.000 2.597 214 Y HA 0.244 4.808 4.550 0.025 0.000 0.336 214 Y C 2.202 178.141 175.900 0.065 0.000 1.216 214 Y CA 0.809 58.964 58.100 0.092 0.000 1.463 214 Y CB 0.818 39.331 38.460 0.088 0.000 1.303 214 Y HN 0.311 nan 8.280 nan 0.000 0.576 215 S N -1.042 114.766 115.700 0.180 0.000 2.465 215 S HA -0.204 4.280 4.470 0.024 0.000 0.241 215 S C 1.584 176.250 174.600 0.110 0.000 1.000 215 S CA 1.339 59.600 58.200 0.101 0.000 0.964 215 S CB -0.945 62.276 63.200 0.035 0.000 0.763 215 S HN 0.874 nan 8.310 nan 0.000 0.512 216 T N -0.243 114.402 114.554 0.152 0.000 3.085 216 T HA 0.081 4.446 4.350 0.024 0.000 0.263 216 T C 0.340 175.145 174.700 0.175 0.000 1.127 216 T CA 0.148 62.322 62.100 0.124 0.000 1.103 216 T CB -0.573 68.348 68.868 0.088 0.000 0.921 216 T HN 0.584 nan 8.240 nan 0.000 0.510 217 E N 1.582 121.929 120.200 0.246 0.000 2.003 217 E HA 0.271 4.636 4.350 0.024 0.000 0.279 217 E C 0.536 177.300 176.600 0.274 0.000 1.132 217 E CA -0.235 56.413 56.400 0.414 0.000 0.888 217 E CB 0.487 30.454 29.700 0.445 0.000 1.056 217 E HN 0.423 nan 8.360 nan 0.000 0.399 218 R N 2.294 122.808 120.500 0.023 0.000 2.509 218 R HA 0.216 4.571 4.340 0.024 0.000 0.297 218 R C 0.559 176.458 176.300 -0.669 0.000 0.951 218 R CA 0.066 55.980 56.100 -0.310 0.000 1.103 218 R CB 1.132 31.192 30.300 -0.399 0.000 1.283 218 R HN 0.659 nan 8.270 nan 0.000 0.534 219 G N 0.948 108.933 108.800 -1.357 0.000 2.710 219 G HA2 0.079 4.053 3.960 0.024 0.000 0.668 219 G HA3 0.079 4.053 3.960 0.024 0.000 0.668 219 G C -1.185 173.050 174.900 -1.108 0.000 1.320 219 G CA -0.551 43.516 45.100 -1.723 0.000 0.860 219 G HN 0.368 nan 8.290 nan 0.000 0.538 220 A N -0.877 121.462 122.820 -0.802 0.000 2.572 220 A HA 1.217 5.551 4.320 0.024 0.000 0.295 220 A C 1.220 178.759 177.584 -0.074 0.000 1.072 220 A CA 1.386 53.291 52.037 -0.220 0.000 0.691 220 A CB 1.089 20.096 19.000 0.012 0.000 1.291 220 A HN 3.135 nan 8.150 nan 0.000 0.404 221 G N 1.470 110.271 108.800 0.001 0.000 2.528 221 G HA2 -0.324 3.650 3.960 0.024 0.000 0.262 221 G HA3 -0.324 3.650 3.960 0.024 0.000 0.262 221 G C 0.633 175.565 174.900 0.054 0.000 1.200 221 G CA 0.756 45.869 45.100 0.023 0.000 0.951 221 G HN 1.170 nan 8.290 nan 0.000 0.566 222 N N 1.187 119.920 118.700 0.055 0.000 2.364 222 N HA 0.055 4.810 4.740 0.024 0.000 0.183 222 N C 2.164 177.753 175.510 0.133 0.000 1.022 222 N CA 1.134 54.233 53.050 0.081 0.000 0.883 222 N CB -0.187 38.326 38.487 0.043 0.000 0.965 222 N HN 0.819 nan 8.380 nan 0.000 0.438 223 G N -0.195 108.658 108.800 0.088 0.000 2.848 223 G HA2 -0.167 3.807 3.960 0.024 0.000 0.208 223 G HA3 -0.167 3.807 3.960 0.024 0.000 0.208 223 G C 0.098 175.053 174.900 0.092 0.000 1.152 223 G CA -0.047 45.115 45.100 0.104 0.000 0.789 223 G HN 0.388 nan 8.290 nan 0.000 0.531 224 H N -0.302 118.749 119.070 -0.031 0.000 2.929 224 H HA 0.397 4.968 4.556 0.025 0.000 0.317 224 H C 1.436 176.652 175.328 -0.187 0.000 1.031 224 H CA 0.947 56.901 56.048 -0.156 0.000 1.466 224 H CB 0.569 30.253 29.762 -0.130 0.000 1.482 224 H HN 0.168 nan 8.280 nan 0.000 0.561 225 G N 3.650 111.967 108.800 -0.805 0.000 2.176 225 G HA2 -0.303 3.671 3.960 0.024 0.000 0.253 225 G HA3 -0.303 3.671 3.960 0.024 0.000 0.253 225 G C 0.110 174.513 174.900 -0.830 0.000 0.979 225 G CA 0.458 45.106 45.100 -0.753 0.000 0.641 225 G HN 0.638 nan 8.290 nan 0.000 0.530 226 Y N 0.831 120.993 120.300 -0.231 0.000 2.681 226 Y HA 0.411 4.976 4.550 0.024 0.000 0.267 226 Y C 0.897 176.686 175.900 -0.185 0.000 1.166 226 Y CA -0.526 57.453 58.100 -0.202 0.000 1.209 226 Y CB 0.505 38.878 38.460 -0.145 0.000 1.161 226 Y HN 0.300 nan 8.280 nan 0.000 0.534 227 N N 1.031 119.658 118.700 -0.123 0.000 2.346 227 N HA 0.429 5.184 4.740 0.024 0.000 0.289 227 N C -1.840 173.651 175.510 -0.031 0.000 1.027 227 N CA -0.329 52.708 53.050 -0.022 0.000 0.864 227 N CB 1.318 39.839 38.487 0.057 0.000 1.370 227 N HN 0.062 nan 8.380 nan 0.000 0.481 228 I N 2.479 123.063 120.570 0.023 0.000 2.439 228 I HA 0.299 4.484 4.170 0.024 0.000 0.285 228 I C -0.509 175.675 176.117 0.110 0.000 1.021 228 I CA -0.438 60.878 61.300 0.025 0.000 1.091 228 I CB 1.504 39.491 38.000 -0.022 0.000 1.242 228 I HN 0.399 nan 8.210 nan 0.000 0.439 229 N N 4.813 123.593 118.700 0.134 0.000 2.421 229 N HA 0.534 5.288 4.740 0.024 0.000 0.285 229 N C -0.984 174.529 175.510 0.006 0.000 1.027 229 N CA -0.630 52.534 53.050 0.190 0.000 0.918 229 N CB 2.079 40.729 38.487 0.271 0.000 1.152 229 N HN 0.212 nan 8.380 nan 0.000 0.485 230 V N 3.647 123.483 119.914 -0.129 0.000 2.220 230 V HA 0.288 4.423 4.120 0.024 0.000 0.265 230 V C -2.135 173.663 176.094 -0.493 0.000 1.078 230 V CA -1.632 60.529 62.300 -0.231 0.000 0.872 230 V CB 0.182 31.915 31.823 -0.150 0.000 1.121 230 V HN 0.601 nan 8.190 nan 0.000 0.460 231 P HA 0.303 nan 4.420 nan 0.000 0.271 231 P C -0.703 176.452 177.300 -0.242 0.000 1.220 231 P CA 0.140 63.015 63.100 -0.374 0.000 0.768 231 P CB 1.374 32.964 31.700 -0.184 0.000 0.848 232 L N 5.395 126.531 121.223 -0.146 0.000 2.354 232 L HA 0.525 4.880 4.340 0.024 0.000 0.269 232 L C -2.199 174.666 176.870 -0.008 0.000 1.005 232 L CA -2.777 51.992 54.840 -0.118 0.000 0.819 232 L CB 2.680 44.615 42.059 -0.206 0.000 1.311 232 L HN 0.171 nan 8.230 nan 0.000 0.423 233 P HA 0.218 nan 4.420 nan 0.000 0.275 233 P C -2.656 174.681 177.300 0.061 0.000 1.228 233 P CA -1.646 61.477 63.100 0.038 0.000 0.786 233 P CB -0.012 31.695 31.700 0.012 0.000 0.927 234 P HA -0.025 nan 4.420 nan 0.000 0.266 234 P C 1.151 178.488 177.300 0.062 0.000 1.186 234 P CA 1.613 64.761 63.100 0.081 0.000 0.767 234 P CB -0.199 31.545 31.700 0.074 0.000 0.820 235 G N 1.155 109.995 108.800 0.066 0.000 2.199 235 G HA2 -0.248 3.727 3.960 0.024 0.000 0.254 235 G HA3 -0.248 3.727 3.960 0.024 0.000 0.254 235 G C 0.343 175.272 174.900 0.049 0.000 0.982 235 G CA 0.075 45.202 45.100 0.045 0.000 0.632 235 G HN 0.593 nan 8.290 nan 0.000 0.529 236 S N 0.743 116.489 115.700 0.077 0.000 2.549 236 S HA 0.553 5.037 4.470 0.024 0.000 0.283 236 S C 0.972 175.665 174.600 0.156 0.000 1.320 236 S CA 0.490 58.748 58.200 0.097 0.000 1.058 236 S CB 1.476 64.727 63.200 0.085 0.000 0.882 236 S HN 1.299 nan 8.310 nan 0.000 0.498 237 G N 1.813 110.686 108.800 0.121 0.000 3.257 237 G HA2 0.276 4.250 3.960 0.024 0.000 0.205 237 G HA3 0.276 4.250 3.960 0.024 0.000 0.205 237 G C 0.488 175.444 174.900 0.093 0.000 1.234 237 G CA -0.537 44.602 45.100 0.065 0.000 0.918 237 G HN 0.525 nan 8.290 nan 0.000 0.602 238 N N 0.395 119.083 118.700 -0.020 0.000 2.069 238 N HA -0.156 4.599 4.740 0.024 0.000 0.191 238 N C 2.453 177.984 175.510 0.035 0.000 1.031 238 N CA 1.676 54.705 53.050 -0.035 0.000 0.852 238 N CB -0.703 37.743 38.487 -0.069 0.000 1.018 238 N HN 0.494 nan 8.380 nan 0.000 0.423 239 A N 1.011 123.846 122.820 0.025 0.000 1.892 239 A HA -0.100 4.234 4.320 0.024 0.000 0.218 239 A C 2.392 180.007 177.584 0.052 0.000 1.188 239 A CA 2.435 54.490 52.037 0.030 0.000 0.631 239 A CB -1.025 17.974 19.000 -0.002 0.000 0.822 239 A HN 0.364 nan 8.150 nan 0.000 0.447 240 A N -1.812 121.034 122.820 0.044 0.000 1.873 240 A HA -0.042 4.292 4.320 0.024 0.000 0.215 240 A C 2.112 179.689 177.584 -0.012 0.000 1.186 240 A CA 1.544 53.583 52.037 0.004 0.000 0.616 240 A CB -0.805 18.172 19.000 -0.038 0.000 0.823 240 A HN 0.574 nan 8.150 nan 0.000 0.442 241 Y N 0.082 120.365 120.300 -0.028 0.000 2.181 241 Y HA -0.119 4.446 4.550 0.025 0.000 0.288 241 Y C 2.193 178.081 175.900 -0.020 0.000 1.146 241 Y CA 1.644 59.718 58.100 -0.043 0.000 1.164 241 Y CB -0.274 38.104 38.460 -0.136 0.000 0.982 241 Y HN 0.183 nan 8.280 nan 0.000 0.515 242 L N -1.558 119.737 121.223 0.121 0.000 2.156 242 L HA -0.199 4.156 4.340 0.024 0.000 0.208 242 L C 2.195 179.108 176.870 0.073 0.000 1.095 242 L CA 1.273 56.159 54.840 0.078 0.000 0.770 242 L CB -0.495 41.597 42.059 0.056 0.000 0.914 242 L HN 0.264 nan 8.230 nan 0.000 0.439 243 H N 0.087 119.155 119.070 -0.003 0.000 2.357 243 H HA -0.073 4.498 4.556 0.024 0.000 0.301 243 H C 2.182 177.495 175.328 -0.024 0.000 1.082 243 H CA 1.411 57.449 56.048 -0.016 0.000 1.342 243 H CB 0.217 29.962 29.762 -0.029 0.000 1.389 243 H HN 0.263 nan 8.280 nan 0.000 0.511 244 A N 0.565 123.398 122.820 0.022 0.000 1.898 244 A HA -0.154 4.180 4.320 0.024 0.000 0.216 244 A C 2.280 179.850 177.584 -0.023 0.000 1.181 244 A CA 1.578 53.593 52.037 -0.036 0.000 0.620 244 A CB -0.458 18.488 19.000 -0.089 0.000 0.819 244 A HN 0.367 nan 8.150 nan 0.000 0.442 245 M N 0.230 119.844 119.600 0.022 0.000 2.073 245 M HA -0.176 4.319 4.480 0.024 0.000 0.258 245 M C 1.506 177.809 176.300 0.004 0.000 1.070 245 M CA 1.800 57.133 55.300 0.054 0.000 1.103 245 M CB -1.547 31.106 32.600 0.088 0.000 1.321 245 M HN 0.365 nan 8.290 nan 0.000 0.405 246 D N -0.439 119.935 120.400 -0.044 0.000 2.149 246 D HA -0.105 4.550 4.640 0.024 0.000 0.201 246 D C 2.223 178.449 176.300 -0.124 0.000 0.972 246 D CA 0.916 54.870 54.000 -0.077 0.000 0.835 246 D CB -0.137 40.605 40.800 -0.097 0.000 0.966 246 D HN 0.385 nan 8.370 nan 0.000 0.476 247 Q N -0.197 119.483 119.800 -0.201 0.000 2.302 247 Q HA 0.071 4.426 4.340 0.024 0.000 0.202 247 Q C 1.890 177.834 176.000 -0.094 0.000 0.936 247 Q CA 0.411 56.100 55.803 -0.190 0.000 0.886 247 Q CB 1.016 29.572 28.738 -0.304 0.000 0.986 247 Q HN 0.221 nan 8.270 nan 0.000 0.487 248 V N -1.308 118.566 119.914 -0.066 0.000 3.054 248 V HA -0.004 4.130 4.120 0.024 0.000 0.227 248 V C 2.059 178.147 176.094 -0.010 0.000 1.252 248 V CA 0.388 62.667 62.300 -0.035 0.000 1.279 248 V CB -0.111 31.692 31.823 -0.033 0.000 1.118 248 V HN -0.097 nan 8.190 nan 0.000 0.504 249 V N 0.884 120.806 119.914 0.012 0.000 2.244 249 V HA -0.219 3.915 4.120 0.024 0.000 0.244 249 V C 2.359 178.478 176.094 0.041 0.000 1.042 249 V CA 2.295 64.620 62.300 0.042 0.000 1.006 249 V CB -0.610 31.269 31.823 0.092 0.000 0.641 249 V HN 0.405 nan 8.190 nan 0.000 0.446 250 L N -0.201 121.048 121.223 0.043 0.000 2.046 250 L HA -0.111 4.244 4.340 0.024 0.000 0.208 250 L C 0.063 176.952 176.870 0.031 0.000 1.077 250 L CA 1.673 56.539 54.840 0.044 0.000 0.747 250 L CB -1.993 40.092 42.059 0.044 0.000 0.896 250 L HN 0.356 nan 8.230 nan 0.000 0.432 251 P HA -0.170 nan 4.420 nan 0.000 0.218 251 P C 1.463 178.777 177.300 0.023 0.000 1.148 251 P CA 1.730 64.837 63.100 0.012 0.000 0.822 251 P CB 0.010 31.706 31.700 -0.007 0.000 0.784 252 A N -0.560 122.272 122.820 0.019 0.000 1.873 252 A HA -0.149 4.186 4.320 0.024 0.000 0.215 252 A C 2.184 179.809 177.584 0.068 0.000 1.186 252 A CA 1.395 53.447 52.037 0.024 0.000 0.616 252 A CB -1.631 17.365 19.000 -0.007 0.000 0.823 252 A HN 0.107 nan 8.150 nan 0.000 0.442 253 L N -1.010 120.251 121.223 0.063 0.000 2.083 253 L HA -0.182 4.173 4.340 0.024 0.000 0.209 253 L C 2.848 179.780 176.870 0.104 0.000 1.083 253 L CA 1.372 56.269 54.840 0.094 0.000 0.752 253 L CB -0.468 41.630 42.059 0.065 0.000 0.899 253 L HN 0.348 nan 8.230 nan 0.000 0.433 254 R N -0.095 120.448 120.500 0.071 0.000 2.092 254 R HA -0.086 4.269 4.340 0.024 0.000 0.231 254 R C 2.453 178.791 176.300 0.064 0.000 1.119 254 R CA 1.212 57.346 56.100 0.056 0.000 0.970 254 R CB -0.447 29.876 30.300 0.038 0.000 0.864 254 R HN 0.340 nan 8.270 nan 0.000 0.440 255 A N 0.311 123.179 122.820 0.080 0.000 1.898 255 A HA -0.201 4.134 4.320 0.024 0.000 0.216 255 A C 1.922 179.596 177.584 0.150 0.000 1.181 255 A CA 1.088 53.180 52.037 0.092 0.000 0.620 255 A CB -0.546 18.501 19.000 0.079 0.000 0.819 255 A HN 0.405 nan 8.150 nan 0.000 0.442 256 Y N -0.515 119.809 120.300 0.040 0.000 2.337 256 Y HA 0.052 4.617 4.550 0.024 0.000 0.293 256 Y C 0.420 176.327 175.900 0.012 0.000 1.123 256 Y CA 1.029 59.162 58.100 0.054 0.000 1.201 256 Y CB 0.289 38.785 38.460 0.060 0.000 1.011 256 Y HN 0.338 nan 8.280 nan 0.000 0.545 257 R N 0.212 120.734 120.500 0.037 0.000 3.084 257 R HA -0.141 4.213 4.340 0.024 0.000 0.258 257 R C -2.809 173.398 176.300 -0.156 0.000 0.914 257 R CA 0.600 56.663 56.100 -0.062 0.000 0.646 257 R CB -2.494 27.749 30.300 -0.095 0.000 1.330 257 R HN 0.341 nan 8.270 nan 0.000 0.465 258 P HA 0.077 nan 4.420 nan 0.000 0.274 258 P C 0.312 177.582 177.300 -0.049 0.000 1.237 258 P CA -0.167 62.923 63.100 -0.016 0.000 0.793 258 P CB 0.686 32.469 31.700 0.139 0.000 0.977 259 Q N -0.267 119.495 119.800 -0.064 0.000 2.398 259 Q HA 0.200 4.555 4.340 0.024 0.000 0.204 259 Q C 0.175 176.157 176.000 -0.031 0.000 0.932 259 Q CA 0.759 56.531 55.803 -0.051 0.000 0.916 259 Q CB -0.078 28.623 28.738 -0.062 0.000 1.024 259 Q HN 0.332 nan 8.270 nan 0.000 0.504 260 L N -0.587 120.618 121.223 -0.030 0.000 2.482 260 L HA 0.501 4.855 4.340 0.024 0.000 0.263 260 L C -1.741 175.101 176.870 -0.046 0.000 0.957 260 L CA -0.592 54.228 54.840 -0.033 0.000 0.836 260 L CB 1.622 43.660 42.059 -0.034 0.000 1.324 260 L HN -0.091 nan 8.230 nan 0.000 0.406 261 I N 5.774 126.306 120.570 -0.065 0.000 2.321 261 I HA 0.431 4.616 4.170 0.024 0.000 0.291 261 I C -0.506 175.497 176.117 -0.189 0.000 0.998 261 I CA -0.328 60.906 61.300 -0.111 0.000 1.227 261 I CB 1.311 39.251 38.000 -0.101 0.000 1.368 261 I HN 0.485 nan 8.210 nan 0.000 0.466 262 I N 6.921 127.364 120.570 -0.211 0.000 2.354 262 I HA 0.340 4.525 4.170 0.024 0.000 0.292 262 I C -0.493 175.402 176.117 -0.370 0.000 0.989 262 I CA -0.854 60.285 61.300 -0.268 0.000 1.188 262 I CB 1.797 39.688 38.000 -0.182 0.000 1.342 262 I HN 0.189 nan 8.210 nan 0.000 0.457 263 V N 5.000 124.572 119.914 -0.568 0.000 2.370 263 V HA 0.407 4.541 4.120 0.024 0.000 0.283 263 V C 0.750 176.502 176.094 -0.571 0.000 1.023 263 V CA -0.678 61.198 62.300 -0.706 0.000 0.857 263 V CB 1.337 32.452 31.823 -1.180 0.000 0.985 263 V HN 0.912 nan 8.190 nan 0.000 0.443 264 G N 2.433 110.938 108.800 -0.491 0.000 2.444 264 G HA2 0.314 4.288 3.960 0.024 0.000 0.303 264 G HA3 0.314 4.288 3.960 0.024 0.000 0.303 264 G C 0.183 174.741 174.900 -0.570 0.000 1.032 264 G CA -0.066 44.786 45.100 -0.414 0.000 1.137 264 G HN 0.660 nan 8.290 nan 0.000 0.430 265 S N 2.359 117.778 115.700 -0.467 0.000 2.543 265 S HA 0.598 5.083 4.470 0.024 0.000 0.299 265 S C 0.770 175.101 174.600 -0.449 0.000 1.125 265 S CA -0.381 57.544 58.200 -0.458 0.000 1.098 265 S CB -0.068 63.117 63.200 -0.024 0.000 1.063 265 S HN 0.788 nan 8.310 nan 0.000 0.493 266 G N 2.286 110.863 108.800 -0.372 0.000 2.412 266 G HA2 0.603 4.578 3.960 0.024 0.000 0.318 266 G HA3 0.603 4.578 3.960 0.024 0.000 0.318 266 G C -0.379 174.199 174.900 -0.537 0.000 1.146 266 G CA -0.673 44.226 45.100 -0.334 0.000 0.882 266 G HN 0.702 nan 8.290 nan 0.000 0.501 267 F N -0.252 119.658 119.950 -0.065 0.000 2.735 267 F HA 0.159 4.700 4.527 0.024 0.000 0.308 267 F C 1.205 177.002 175.800 -0.004 0.000 1.112 267 F CA -0.592 57.210 58.000 -0.331 0.000 1.235 267 F CB 0.989 39.599 39.000 -0.650 0.000 1.027 267 F HN 0.441 nan 8.300 nan 0.000 0.528 268 D N 0.302 120.835 120.400 0.221 0.000 2.378 268 D HA -0.047 4.608 4.640 0.024 0.000 0.227 268 D C 1.689 178.150 176.300 0.268 0.000 1.012 268 D CA 0.498 54.677 54.000 0.297 0.000 0.905 268 D CB -0.243 40.815 40.800 0.430 0.000 0.895 268 D HN 0.230 nan 8.370 nan 0.000 0.532 269 A N 0.348 123.359 122.820 0.318 0.000 2.251 269 A HA 0.170 4.505 4.320 0.024 0.000 0.209 269 A C 1.290 178.992 177.584 0.198 0.000 1.187 269 A CA 0.052 52.208 52.037 0.200 0.000 0.823 269 A CB -0.475 18.511 19.000 -0.024 0.000 0.846 269 A HN 0.288 nan 8.150 nan 0.000 0.486 270 S N -1.285 114.652 115.700 0.395 0.000 2.589 270 S HA 0.176 4.661 4.470 0.024 0.000 0.265 270 S C 1.049 175.791 174.600 0.236 0.000 1.342 270 S CA 0.363 58.797 58.200 0.389 0.000 1.005 270 S CB 0.318 63.822 63.200 0.505 0.000 0.909 270 S HN 0.349 nan 8.310 nan 0.000 0.555 271 M N 1.491 121.206 119.600 0.191 0.000 2.346 271 M HA 0.103 4.598 4.480 0.024 0.000 0.263 271 M C 0.914 177.241 176.300 0.045 0.000 1.064 271 M CA 1.695 57.026 55.300 0.051 0.000 1.083 271 M CB -0.630 31.930 32.600 -0.066 0.000 1.399 271 M HN 0.756 nan 8.290 nan 0.000 0.435 272 L N -1.227 120.065 121.223 0.115 0.000 2.857 272 L HA 0.258 4.612 4.340 0.024 0.000 0.249 272 L C 0.188 177.168 176.870 0.184 0.000 1.172 272 L CA -0.422 54.484 54.840 0.110 0.000 0.980 272 L CB -0.220 41.871 42.059 0.054 0.000 1.299 272 L HN 0.056 nan 8.230 nan 0.000 0.535 273 D N 2.236 122.763 120.400 0.211 0.000 2.351 273 D HA 0.105 4.760 4.640 0.024 0.000 0.251 273 D C -1.419 175.011 176.300 0.216 0.000 1.137 273 D CA -1.314 52.837 54.000 0.252 0.000 0.879 273 D CB 2.159 43.136 40.800 0.295 0.000 1.181 273 D HN -0.018 nan 8.370 nan 0.000 0.448 274 P HA -0.018 nan 4.420 nan 0.000 0.225 274 P C 1.211 178.600 177.300 0.148 0.000 1.156 274 P CA 0.459 63.655 63.100 0.160 0.000 0.787 274 P CB 0.487 32.272 31.700 0.142 0.000 0.802 275 L N -1.556 119.788 121.223 0.202 0.000 2.700 275 L HA 0.468 4.822 4.340 0.024 0.000 0.234 275 L C 0.948 177.999 176.870 0.301 0.000 1.156 275 L CA -0.236 54.725 54.840 0.201 0.000 0.946 275 L CB -0.028 42.085 42.059 0.091 0.000 1.216 275 L HN -0.039 nan 8.230 nan 0.000 0.493 276 A N -0.312 122.640 122.820 0.219 0.000 2.536 276 A HA 0.683 5.018 4.320 0.024 0.000 0.293 276 A C -0.450 177.221 177.584 0.144 0.000 1.119 276 A CA -0.623 51.518 52.037 0.173 0.000 0.654 276 A CB 1.094 20.158 19.000 0.108 0.000 1.291 276 A HN 0.060 nan 8.150 nan 0.000 0.439 277 R N -0.068 120.508 120.500 0.128 0.000 2.662 277 R HA 0.283 4.637 4.340 0.024 0.000 0.396 277 R C -0.404 175.956 176.300 0.100 0.000 1.096 277 R CA -0.142 56.020 56.100 0.103 0.000 1.081 277 R CB 0.195 30.549 30.300 0.090 0.000 1.382 277 R HN 0.678 nan 8.270 nan 0.000 0.580 278 M N -0.050 119.620 119.600 0.117 0.000 2.369 278 M HA 0.417 4.912 4.480 0.024 0.000 0.291 278 M C 1.007 177.345 176.300 0.062 0.000 1.178 278 M CA -0.168 55.200 55.300 0.114 0.000 0.996 278 M CB 0.764 33.465 32.600 0.167 0.000 1.472 278 M HN -0.065 nan 8.290 nan 0.000 0.496 279 M N 0.401 120.016 119.600 0.025 0.000 2.603 279 M HA 0.217 4.712 4.480 0.024 0.000 0.380 279 M C -0.618 175.636 176.300 -0.077 0.000 1.158 279 M CA -0.166 55.122 55.300 -0.019 0.000 0.921 279 M CB 0.568 33.155 32.600 -0.021 0.000 1.417 279 M HN 0.242 nan 8.290 nan 0.000 0.523 280 V N 1.790 121.602 119.914 -0.170 0.000 2.655 280 V HA 0.141 4.276 4.120 0.024 0.000 0.300 280 V C 0.944 176.946 176.094 -0.153 0.000 1.044 280 V CA 0.030 62.107 62.300 -0.373 0.000 1.095 280 V CB 0.672 31.925 31.823 -0.950 0.000 0.952 280 V HN 0.529 nan 8.190 nan 0.000 0.485 281 T N 1.739 116.225 114.554 -0.114 0.000 2.923 281 T HA 0.629 4.994 4.350 0.024 0.000 0.281 281 T C 1.291 176.083 174.700 0.154 0.000 0.995 281 T CA -0.113 62.078 62.100 0.150 0.000 0.985 281 T CB 1.721 70.652 68.868 0.106 0.000 1.114 281 T HN 0.745 nan 8.240 nan 0.000 0.548 282 A N 0.358 123.330 122.820 0.253 0.000 1.948 282 A HA -0.149 4.186 4.320 0.024 0.000 0.220 282 A C 1.960 179.611 177.584 0.112 0.000 1.177 282 A CA 2.420 54.531 52.037 0.123 0.000 0.636 282 A CB -1.441 17.577 19.000 0.030 0.000 0.815 282 A HN 1.014 nan 8.150 nan 0.000 0.449 283 D N -1.042 119.422 120.400 0.107 0.000 2.178 283 D HA 0.000 4.655 4.640 0.024 0.000 0.202 283 D C 1.959 178.254 176.300 -0.008 0.000 0.974 283 D CA 1.477 55.517 54.000 0.066 0.000 0.841 283 D CB -0.395 40.474 40.800 0.114 0.000 0.953 283 D HN 0.310 nan 8.370 nan 0.000 0.478 284 G N -0.589 108.154 108.800 -0.095 0.000 2.433 284 G HA2 -0.263 3.712 3.960 0.024 0.000 0.216 284 G HA3 -0.263 3.712 3.960 0.024 0.000 0.216 284 G C 1.354 176.069 174.900 -0.308 0.000 1.186 284 G CA 0.610 45.558 45.100 -0.252 0.000 0.779 284 G HN 0.266 nan 8.290 nan 0.000 0.543 285 F N 0.784 120.633 119.950 -0.168 0.000 2.171 285 F HA 0.057 4.598 4.527 0.023 0.000 0.300 285 F C 2.686 178.409 175.800 -0.127 0.000 1.090 285 F CA 1.287 59.154 58.000 -0.221 0.000 1.293 285 F CB -0.393 38.560 39.000 -0.079 0.000 1.013 285 F HN 0.033 nan 8.300 nan 0.000 0.486 286 R N 0.558 121.121 120.500 0.105 0.000 2.096 286 R HA -0.234 4.121 4.340 0.024 0.000 0.240 286 R C 2.033 178.369 176.300 0.061 0.000 1.139 286 R CA 2.078 58.221 56.100 0.071 0.000 0.952 286 R CB -0.334 29.993 30.300 0.045 0.000 0.854 286 R HN 0.370 nan 8.270 nan 0.000 0.436 287 Q N -0.503 119.310 119.800 0.020 0.000 2.187 287 Q HA -0.073 4.281 4.340 0.024 0.000 0.199 287 Q C 2.201 178.223 176.000 0.038 0.000 0.957 287 Q CA 1.462 57.281 55.803 0.026 0.000 0.857 287 Q CB 0.051 28.790 28.738 0.003 0.000 0.929 287 Q HN 0.411 nan 8.270 nan 0.000 0.453 288 M N 0.047 119.626 119.600 -0.034 0.000 2.117 288 M HA -0.156 4.339 4.480 0.024 0.000 0.262 288 M C 2.342 178.762 176.300 0.199 0.000 1.065 288 M CA 1.578 56.846 55.300 -0.053 0.000 1.114 288 M CB -0.264 32.042 32.600 -0.491 0.000 1.361 288 M HN 0.237 nan 8.290 nan 0.000 0.408 289 A N 0.225 123.206 122.820 0.268 0.000 1.873 289 A HA -0.185 4.150 4.320 0.024 0.000 0.215 289 A C 2.072 179.886 177.584 0.384 0.000 1.186 289 A CA 1.910 54.273 52.037 0.544 0.000 0.616 289 A CB -0.618 18.613 19.000 0.385 0.000 0.823 289 A HN 0.370 nan 8.150 nan 0.000 0.442 290 R N 0.050 120.686 120.500 0.226 0.000 2.097 290 R HA -0.149 4.205 4.340 0.024 0.000 0.236 290 R C 2.248 178.651 176.300 0.172 0.000 1.135 290 R CA 2.229 58.430 56.100 0.169 0.000 0.934 290 R CB -0.556 29.808 30.300 0.107 0.000 0.846 290 R HN 0.532 nan 8.270 nan 0.000 0.431 291 R N -0.942 119.654 120.500 0.160 0.000 2.103 291 R HA -0.107 4.247 4.340 0.024 0.000 0.242 291 R C 2.243 178.649 176.300 0.177 0.000 1.142 291 R CA 2.236 58.423 56.100 0.145 0.000 0.960 291 R CB -0.514 29.863 30.300 0.127 0.000 0.858 291 R HN 0.368 nan 8.270 nan 0.000 0.439 292 T N 0.740 115.449 114.554 0.258 0.000 2.812 292 T HA -0.020 4.345 4.350 0.024 0.000 0.264 292 T C 1.907 176.733 174.700 0.209 0.000 1.042 292 T CA 1.004 63.252 62.100 0.248 0.000 1.140 292 T CB -0.121 68.947 68.868 0.334 0.000 0.870 292 T HN 0.116 nan 8.240 nan 0.000 0.445 293 I N 1.662 122.396 120.570 0.272 0.000 2.179 293 I HA -0.184 4.000 4.170 0.024 0.000 0.242 293 I C 2.335 178.542 176.117 0.150 0.000 1.088 293 I CA 1.264 62.703 61.300 0.232 0.000 1.357 293 I CB -0.394 37.768 38.000 0.271 0.000 1.051 293 I HN 0.101 nan 8.210 nan 0.000 0.409 294 D N 0.164 120.644 120.400 0.134 0.000 2.123 294 D HA -0.220 4.434 4.640 0.024 0.000 0.196 294 D C 2.215 178.564 176.300 0.082 0.000 0.992 294 D CA 1.281 55.339 54.000 0.097 0.000 0.833 294 D CB -0.693 40.160 40.800 0.088 0.000 0.954 294 D HN 0.422 nan 8.370 nan 0.000 0.455 295 C N 1.125 120.478 119.300 0.088 0.000 2.413 295 C HA -0.072 4.403 4.460 0.024 0.000 0.276 295 C C 2.882 177.908 174.990 0.061 0.000 1.236 295 C CA 1.531 60.592 59.018 0.071 0.000 1.735 295 C CB -1.078 26.708 27.740 0.078 0.000 2.031 295 C HN 0.334 nan 8.230 nan 0.000 0.474 296 A N 0.416 123.276 122.820 0.068 0.000 1.902 296 A HA 0.103 4.438 4.320 0.024 0.000 0.217 296 A C 2.519 180.134 177.584 0.051 0.000 1.181 296 A CA 2.285 54.354 52.037 0.053 0.000 0.623 296 A CB -1.235 17.798 19.000 0.054 0.000 0.818 296 A HN 0.935 nan 8.150 nan 0.000 0.443 297 A N -0.120 122.738 122.820 0.062 0.000 1.940 297 A HA -0.219 4.115 4.320 0.024 0.000 0.219 297 A C 1.783 179.391 177.584 0.041 0.000 1.176 297 A CA 2.023 54.092 52.037 0.053 0.000 0.631 297 A CB -0.548 18.488 19.000 0.059 0.000 0.814 297 A HN 0.468 nan 8.150 nan 0.000 0.446 298 D N -0.461 119.964 120.400 0.041 0.000 2.149 298 D HA -0.063 4.592 4.640 0.024 0.000 0.201 298 D C 1.839 178.154 176.300 0.025 0.000 0.972 298 D CA 1.709 55.728 54.000 0.032 0.000 0.835 298 D CB -0.115 40.706 40.800 0.034 0.000 0.966 298 D HN 0.743 nan 8.370 nan 0.000 0.476 299 I N -2.364 118.221 120.570 0.026 0.000 4.139 299 I HA 0.166 4.350 4.170 0.024 0.000 0.320 299 I C 0.728 176.849 176.117 0.008 0.000 1.290 299 I CA -0.069 61.241 61.300 0.017 0.000 1.253 299 I CB 0.589 38.602 38.000 0.022 0.000 1.122 299 I HN -0.020 nan 8.210 nan 0.000 0.421 300 C N -0.435 118.872 119.300 0.012 0.000 3.151 300 C HA 0.491 4.966 4.460 0.024 0.000 0.249 300 C C -0.009 174.988 174.990 0.012 0.000 2.249 300 C CA -0.856 58.164 59.018 0.004 0.000 1.517 300 C CB -1.031 26.707 27.740 -0.002 0.000 2.989 300 C HN 0.504 nan 8.230 nan 0.000 0.476 301 D N 1.143 121.553 120.400 0.017 0.000 2.837 301 D HA -0.146 4.508 4.640 0.024 0.000 0.230 301 D C 1.465 177.785 176.300 0.032 0.000 1.152 301 D CA 2.319 56.332 54.000 0.022 0.000 0.736 301 D CB -1.505 39.304 40.800 0.016 0.000 1.084 301 D HN 1.746 nan 8.370 nan 0.000 0.429 302 G N -0.204 108.619 108.800 0.039 0.000 2.162 302 G HA2 -0.409 3.566 3.960 0.024 0.000 0.260 302 G HA3 -0.409 3.566 3.960 0.024 0.000 0.260 302 G C 0.306 175.239 174.900 0.055 0.000 0.976 302 G CA 0.317 45.451 45.100 0.055 0.000 0.655 302 G HN 0.508 nan 8.290 nan 0.000 0.533 303 R N 0.091 120.612 120.500 0.036 0.000 2.357 303 R HA 0.540 4.895 4.340 0.024 0.000 0.330 303 R C -0.006 176.299 176.300 0.010 0.000 1.102 303 R CA 0.239 56.355 56.100 0.027 0.000 0.974 303 R CB 0.276 30.585 30.300 0.014 0.000 1.002 303 R HN 0.476 nan 8.270 nan 0.000 0.463 304 I N 2.319 122.903 120.570 0.022 0.000 2.656 304 I HA 0.306 4.491 4.170 0.024 0.000 0.292 304 I C -1.406 174.701 176.117 -0.016 0.000 1.144 304 I CA -0.969 60.308 61.300 -0.038 0.000 1.038 304 I CB 2.160 40.146 38.000 -0.024 0.000 1.244 304 I HN 0.176 nan 8.210 nan 0.000 0.420 305 V N 7.683 127.512 119.914 -0.142 0.000 2.482 305 V HA 0.435 4.570 4.120 0.024 0.000 0.295 305 V C -0.788 175.144 176.094 -0.270 0.000 1.026 305 V CA -0.407 61.841 62.300 -0.087 0.000 0.856 305 V CB 1.576 33.355 31.823 -0.073 0.000 1.001 305 V HN 0.454 nan 8.190 nan 0.000 0.424 306 F N 3.873 123.705 119.950 -0.197 0.000 2.394 306 F HA 0.670 5.213 4.527 0.026 0.000 0.340 306 F C 0.206 175.658 175.800 -0.580 0.000 1.105 306 F CA -0.548 57.197 58.000 -0.425 0.000 1.124 306 F CB 1.795 40.481 39.000 -0.522 0.000 1.145 306 F HN 0.168 nan 8.300 nan 0.000 0.505 307 V N 2.846 122.537 119.914 -0.370 0.000 2.577 307 V HA 0.277 4.412 4.120 0.024 0.000 0.303 307 V C -0.420 175.519 176.094 -0.258 0.000 1.042 307 V CA -1.074 61.048 62.300 -0.297 0.000 0.872 307 V CB 1.600 33.306 31.823 -0.194 0.000 0.998 307 V HN 0.597 nan 8.190 nan 0.000 0.423 308 Q N 3.757 123.478 119.800 -0.132 0.000 2.300 308 Q HA 0.154 4.509 4.340 0.024 0.000 0.280 308 Q C 0.266 176.226 176.000 -0.065 0.000 1.033 308 Q CA 0.929 56.750 55.803 0.030 0.000 0.903 308 Q CB 0.642 29.508 28.738 0.214 0.000 1.195 308 Q HN 0.739 nan 8.270 nan 0.000 0.386 309 E N 2.007 122.138 120.200 -0.115 0.000 3.617 309 E HA 0.464 4.829 4.350 0.024 0.000 0.351 309 E C 0.204 176.782 176.600 -0.036 0.000 0.551 309 E CA -0.053 56.259 56.400 -0.146 0.000 2.098 309 E CB -0.632 28.828 29.700 -0.399 0.000 2.118 309 E HN 0.696 nan 8.360 nan 0.000 0.450 310 G N -1.204 107.590 108.800 -0.010 0.000 2.543 310 G HA2 0.517 4.492 3.960 0.024 0.000 0.267 310 G HA3 0.517 4.492 3.960 0.024 0.000 0.267 310 G C -0.259 174.547 174.900 -0.156 0.000 1.406 310 G CA -0.034 45.077 45.100 0.019 0.000 1.048 310 G HN 0.553 nan 8.290 nan 0.000 0.548 311 G N -3.010 105.470 108.800 -0.534 0.000 2.801 311 G HA2 0.231 4.206 3.960 0.024 0.000 0.648 311 G HA3 0.231 4.206 3.960 0.024 0.000 0.648 311 G C -0.924 173.538 174.900 -0.731 0.000 1.415 311 G CA -0.476 44.428 45.100 -0.328 0.000 0.887 311 G HN 0.750 nan 8.290 nan 0.000 0.627 312 Y N 0.807 121.234 120.300 0.212 0.000 2.728 312 Y HA 0.511 5.076 4.550 0.025 0.000 0.256 312 Y C 1.316 177.307 175.900 0.152 0.000 1.112 312 Y CA -0.040 58.174 58.100 0.190 0.000 1.240 312 Y CB 1.400 39.987 38.460 0.212 0.000 1.337 312 Y HN 0.648 nan 8.280 nan 0.000 0.559 313 S N 3.511 119.330 115.700 0.198 0.000 2.434 313 S HA 0.234 4.719 4.470 0.024 0.000 0.318 313 S C -1.646 172.979 174.600 0.041 0.000 1.062 313 S CA -1.697 56.600 58.200 0.163 0.000 1.116 313 S CB 0.730 64.068 63.200 0.230 0.000 0.977 313 S HN 0.014 nan 8.310 nan 0.000 0.480 314 P HA -0.139 nan 4.420 nan 0.000 0.220 314 P C 0.871 178.081 177.300 -0.150 0.000 1.148 314 P CA 1.220 64.224 63.100 -0.160 0.000 0.803 314 P CB -0.043 31.505 31.700 -0.253 0.000 0.782 315 H N -2.208 116.942 119.070 0.134 0.000 2.317 315 H HA -0.052 4.519 4.556 0.024 0.000 0.304 315 H C 1.780 177.253 175.328 0.242 0.000 1.067 315 H CA 1.210 57.376 56.048 0.196 0.000 1.352 315 H CB -0.812 29.048 29.762 0.163 0.000 1.398 315 H HN 0.156 nan 8.280 nan 0.000 0.510 316 Y N 0.898 121.225 120.300 0.045 0.000 2.522 316 Y HA 0.116 4.681 4.550 0.025 0.000 0.277 316 Y C 2.470 178.337 175.900 -0.055 0.000 1.104 316 Y CA -0.180 57.876 58.100 -0.074 0.000 1.260 316 Y CB -0.362 37.958 38.460 -0.233 0.000 1.151 316 Y HN -0.007 nan 8.280 nan 0.000 0.539 317 L N 1.152 122.290 121.223 -0.142 0.000 2.051 317 L HA -0.186 4.169 4.340 0.024 0.000 0.214 317 L C -0.886 175.594 176.870 -0.649 0.000 1.076 317 L CA 1.946 56.559 54.840 -0.379 0.000 0.758 317 L CB -1.246 40.709 42.059 -0.174 0.000 0.890 317 L HN 0.071 nan 8.230 nan 0.000 0.433 318 P HA -0.182 nan 4.420 nan 0.000 0.216 318 P C 1.260 178.071 177.300 -0.816 0.000 1.150 318 P CA 1.691 64.422 63.100 -0.614 0.000 0.843 318 P CB -0.137 31.283 31.700 -0.467 0.000 0.787 319 F N -1.262 118.426 119.950 -0.437 0.000 2.259 319 F HA -0.123 4.417 4.527 0.022 0.000 0.298 319 F C 2.398 177.828 175.800 -0.615 0.000 1.088 319 F CA 0.771 58.534 58.000 -0.396 0.000 1.358 319 F CB -1.506 37.408 39.000 -0.143 0.000 1.040 319 F HN -0.021 nan 8.300 nan 0.000 0.505 320 C N -0.096 118.711 119.300 -0.821 0.000 2.466 320 C HA -0.018 4.456 4.460 0.024 0.000 0.278 320 C C 3.135 177.258 174.990 -1.445 0.000 1.288 320 C CA 1.056 59.472 59.018 -1.003 0.000 1.722 320 C CB -1.621 25.381 27.740 -1.232 0.000 2.017 320 C HN 0.618 nan 8.230 nan 0.000 0.488 321 G N 0.419 108.024 108.800 -1.993 0.000 2.402 321 G HA2 -0.177 3.798 3.960 0.024 0.000 0.216 321 G HA3 -0.177 3.798 3.960 0.024 0.000 0.216 321 G C 1.541 175.887 174.900 -0.923 0.000 1.162 321 G CA 0.772 44.626 45.100 -2.076 0.000 0.777 321 G HN 0.440 nan 8.290 nan 0.000 0.539 322 L N 1.392 122.211 121.223 -0.673 0.000 2.042 322 L HA 0.048 4.403 4.340 0.024 0.000 0.210 322 L C 3.122 179.881 176.870 -0.184 0.000 1.076 322 L CA 2.116 56.809 54.840 -0.244 0.000 0.749 322 L CB -0.588 41.340 42.059 -0.218 0.000 0.893 322 L HN 0.247 nan 8.230 nan 0.000 0.432 323 A N -1.300 121.392 122.820 -0.214 0.000 1.908 323 A HA -0.189 4.146 4.320 0.024 0.000 0.218 323 A C 2.253 179.794 177.584 -0.070 0.000 1.181 323 A CA 2.183 54.158 52.037 -0.103 0.000 0.627 323 A CB -1.097 17.860 19.000 -0.072 0.000 0.818 323 A HN 0.319 nan 8.150 nan 0.000 0.445 324 V N 0.463 120.318 119.914 -0.098 0.000 2.358 324 V HA -0.214 3.921 4.120 0.024 0.000 0.246 324 V C 2.436 178.479 176.094 -0.085 0.000 1.047 324 V CA 1.561 63.843 62.300 -0.030 0.000 1.035 324 V CB -0.651 31.239 31.823 0.111 0.000 0.658 324 V HN 0.506 nan 8.190 nan 0.000 0.452 325 I N 0.408 120.918 120.570 -0.100 0.000 2.163 325 I HA -0.249 3.936 4.170 0.024 0.000 0.243 325 I C 2.552 178.641 176.117 -0.047 0.000 1.085 325 I CA 1.788 63.046 61.300 -0.070 0.000 1.347 325 I CB -1.238 36.709 38.000 -0.088 0.000 1.044 325 I HN 0.481 nan 8.210 nan 0.000 0.408 326 E N 0.374 120.542 120.200 -0.054 0.000 2.160 326 E HA -0.220 4.144 4.350 0.024 0.000 0.195 326 E C 1.941 178.528 176.600 -0.022 0.000 0.991 326 E CA 0.851 57.224 56.400 -0.044 0.000 0.810 326 E CB -0.038 29.636 29.700 -0.043 0.000 0.742 326 E HN 0.436 nan 8.360 nan 0.000 0.466 327 E N 0.505 120.703 120.200 -0.003 0.000 2.204 327 E HA -0.116 4.249 4.350 0.024 0.000 0.194 327 E C 2.121 178.751 176.600 0.050 0.000 0.989 327 E CA 0.610 57.029 56.400 0.032 0.000 0.824 327 E CB -0.034 29.704 29.700 0.064 0.000 0.756 327 E HN 0.327 nan 8.360 nan 0.000 0.477 328 L N 0.492 121.738 121.223 0.039 0.000 2.068 328 L HA -0.098 4.256 4.340 0.024 0.000 0.204 328 L C 2.592 179.499 176.870 0.061 0.000 1.076 328 L CA 1.684 56.571 54.840 0.078 0.000 0.753 328 L CB -0.502 41.616 42.059 0.097 0.000 0.910 328 L HN 0.168 nan 8.230 nan 0.000 0.439 329 T N -3.686 110.883 114.554 0.025 0.000 3.043 329 T HA 0.093 4.457 4.350 0.024 0.000 0.263 329 T C 1.559 176.236 174.700 -0.038 0.000 1.094 329 T CA 0.570 62.671 62.100 0.002 0.000 1.127 329 T CB 0.059 68.913 68.868 -0.024 0.000 0.905 329 T HN 0.457 nan 8.240 nan 0.000 0.490 330 G N 0.566 109.345 108.800 -0.034 0.000 2.155 330 G HA2 -0.206 3.768 3.960 0.024 0.000 0.257 330 G HA3 -0.206 3.768 3.960 0.024 0.000 0.257 330 G C 0.030 174.873 174.900 -0.095 0.000 0.983 330 G CA 0.137 45.211 45.100 -0.043 0.000 0.676 330 G HN 0.769 nan 8.290 nan 0.000 0.528 331 V N 0.365 120.185 119.914 -0.157 0.000 2.357 331 V HA 0.520 4.655 4.120 0.024 0.000 0.284 331 V C 0.611 176.625 176.094 -0.134 0.000 1.018 331 V CA -0.701 61.468 62.300 -0.219 0.000 0.841 331 V CB 1.538 33.047 31.823 -0.523 0.000 0.991 331 V HN 0.325 nan 8.190 nan 0.000 0.437 332 R N 2.715 123.162 120.500 -0.088 0.000 2.937 332 R HA 0.199 4.553 4.340 0.024 0.000 0.264 332 R C 1.360 177.638 176.300 -0.037 0.000 1.334 332 R CA 0.025 56.094 56.100 -0.051 0.000 1.516 332 R CB 0.628 30.906 30.300 -0.036 0.000 1.187 332 R HN 0.865 nan 8.270 nan 0.000 0.609 333 S N 0.622 116.303 115.700 -0.032 0.000 2.481 333 S HA -0.014 4.471 4.470 0.024 0.000 0.231 333 S C 0.573 175.178 174.600 0.009 0.000 0.996 333 S CA 0.380 58.575 58.200 -0.009 0.000 0.942 333 S CB 0.113 63.314 63.200 0.002 0.000 0.768 333 S HN 0.282 nan 8.310 nan 0.000 0.520 334 L N 1.824 123.057 121.223 0.018 0.000 2.549 334 L HA 0.550 4.904 4.340 0.024 0.000 0.259 334 L C -2.627 174.271 176.870 0.046 0.000 0.934 334 L CA -1.550 53.318 54.840 0.047 0.000 0.865 334 L CB 1.832 43.949 42.059 0.096 0.000 1.352 334 L HN -0.081 nan 8.230 nan 0.000 0.410 335 P HA 0.218 nan 4.420 nan 0.000 0.274 335 P C -1.162 176.138 177.300 0.001 0.000 1.237 335 P CA -0.334 62.763 63.100 -0.005 0.000 0.793 335 P CB 0.620 32.294 31.700 -0.043 0.000 0.977 336 D N 2.108 122.510 120.400 0.003 0.000 2.338 336 D HA 0.067 4.722 4.640 0.024 0.000 0.255 336 D C -1.433 174.814 176.300 -0.088 0.000 1.237 336 D CA -2.059 51.934 54.000 -0.011 0.000 0.883 336 D CB 0.510 41.417 40.800 0.180 0.000 1.087 336 D HN 0.134 nan 8.370 nan 0.000 0.485 337 P HA -0.060 nan 4.420 nan 0.000 0.241 337 P C 0.456 177.549 177.300 -0.344 0.000 1.191 337 P CA 0.554 63.440 63.100 -0.357 0.000 0.771 337 P CB -0.027 31.353 31.700 -0.532 0.000 0.929 338 Y N -1.851 118.379 120.300 -0.118 0.000 2.466 338 Y HA 0.040 4.604 4.550 0.024 0.000 0.272 338 Y C 2.634 178.552 175.900 0.030 0.000 1.169 338 Y CA 0.096 58.183 58.100 -0.021 0.000 1.285 338 Y CB -0.926 37.460 38.460 -0.122 0.000 1.078 338 Y HN 0.074 nan 8.280 nan 0.000 0.523 339 H N 0.924 120.048 119.070 0.090 0.000 2.289 339 H HA -0.230 4.342 4.556 0.026 0.000 0.296 339 H C 2.292 177.641 175.328 0.035 0.000 1.091 339 H CA 2.460 58.543 56.048 0.059 0.000 1.274 339 H CB 0.098 29.879 29.762 0.032 0.000 1.364 339 H HN 0.429 nan 8.280 nan 0.000 0.490 340 E N -0.815 119.446 120.200 0.102 0.000 2.049 340 E HA -0.249 4.115 4.350 0.024 0.000 0.198 340 E C 2.077 178.688 176.600 0.018 0.000 1.007 340 E CA 1.450 57.877 56.400 0.046 0.000 0.809 340 E CB -0.409 29.336 29.700 0.076 0.000 0.749 340 E HN 0.524 nan 8.360 nan 0.000 0.450 341 F N 1.190 121.094 119.950 -0.078 0.000 2.126 341 F HA -0.148 4.393 4.527 0.024 0.000 0.299 341 F C 1.776 177.516 175.800 -0.100 0.000 1.096 341 F CA 1.532 59.488 58.000 -0.074 0.000 1.255 341 F CB -0.207 38.764 39.000 -0.047 0.000 0.997 341 F HN 0.031 nan 8.300 nan 0.000 0.479 342 L N -0.359 120.644 121.223 -0.368 0.000 2.341 342 L HA 0.094 4.448 4.340 0.024 0.000 0.214 342 L C 2.594 179.249 176.870 -0.358 0.000 1.115 342 L CA 0.708 55.246 54.840 -0.503 0.000 0.820 342 L CB -1.025 40.803 42.059 -0.385 0.000 0.944 342 L HN 0.202 nan 8.230 nan 0.000 0.452 343 A N 0.446 123.068 122.820 -0.330 0.000 2.119 343 A HA 0.021 4.356 4.320 0.024 0.000 0.217 343 A C 2.293 179.760 177.584 -0.195 0.000 1.153 343 A CA 1.241 53.098 52.037 -0.300 0.000 0.692 343 A CB -0.740 18.000 19.000 -0.432 0.000 0.799 343 A HN 0.400 nan 8.150 nan 0.000 0.458 344 G N -0.805 107.886 108.800 -0.183 0.000 2.511 344 G HA2 -0.043 3.932 3.960 0.024 0.000 0.217 344 G HA3 -0.043 3.932 3.960 0.024 0.000 0.217 344 G C 1.445 176.262 174.900 -0.138 0.000 1.133 344 G CA 0.720 45.741 45.100 -0.131 0.000 0.792 344 G HN 0.482 nan 8.290 nan 0.000 0.539 345 M N 0.216 119.701 119.600 -0.191 0.000 2.394 345 M HA 0.230 4.724 4.480 0.024 0.000 0.264 345 M C 1.386 177.613 176.300 -0.121 0.000 1.073 345 M CA 0.921 56.116 55.300 -0.175 0.000 1.111 345 M CB -0.084 32.367 32.600 -0.248 0.000 1.401 345 M HN 0.337 nan 8.290 nan 0.000 0.448 346 G N -1.102 107.632 108.800 -0.111 0.000 2.409 346 G HA2 0.184 4.159 3.960 0.024 0.000 0.421 346 G HA3 0.184 4.159 3.960 0.024 0.000 0.421 346 G C 0.256 175.114 174.900 -0.069 0.000 1.259 346 G CA -0.551 44.503 45.100 -0.077 0.000 1.011 346 G HN 0.610 nan 8.290 nan 0.000 0.497 347 G N -1.331 107.441 108.800 -0.047 0.000 2.217 347 G HA2 -0.272 3.703 3.960 0.024 0.000 0.246 347 G HA3 -0.272 3.703 3.960 0.024 0.000 0.246 347 G C 0.820 175.703 174.900 -0.029 0.000 0.990 347 G CA 1.144 46.225 45.100 -0.032 0.000 0.627 347 G HN 1.367 nan 8.290 nan 0.000 0.522 348 N N 0.891 119.569 118.700 -0.037 0.000 2.314 348 N HA 0.104 4.858 4.740 0.024 0.000 0.200 348 N C -0.212 175.284 175.510 -0.023 0.000 1.135 348 N CA 0.849 53.882 53.050 -0.029 0.000 0.835 348 N CB 0.468 38.935 38.487 -0.033 0.000 0.989 348 N HN 0.406 nan 8.380 nan 0.000 0.478 349 T N 1.259 115.797 114.554 -0.028 0.000 2.792 349 T HA 0.245 4.609 4.350 0.024 0.000 0.280 349 T C -0.220 174.455 174.700 -0.042 0.000 0.990 349 T CA -0.557 61.524 62.100 -0.032 0.000 0.960 349 T CB 2.188 71.037 68.868 -0.032 0.000 0.939 349 T HN -0.046 nan 8.240 nan 0.000 0.439 350 L N 5.370 126.557 121.223 -0.060 0.000 2.456 350 L HA 0.343 4.697 4.340 0.024 0.000 0.277 350 L C -0.515 176.297 176.870 -0.096 0.000 1.124 350 L CA 0.158 54.938 54.840 -0.099 0.000 0.880 350 L CB -0.404 41.545 42.059 -0.182 0.000 1.192 350 L HN 0.550 nan 8.230 nan 0.000 0.463 351 L N 4.456 125.632 121.223 -0.078 0.000 2.418 351 L HA 0.216 4.571 4.340 0.024 0.000 0.265 351 L C 1.147 177.971 176.870 -0.076 0.000 1.143 351 L CA -0.729 54.073 54.840 -0.063 0.000 0.809 351 L CB 0.508 42.541 42.059 -0.043 0.000 1.124 351 L HN 0.566 nan 8.230 nan 0.000 0.456 352 D N 1.582 121.946 120.400 -0.061 0.000 2.158 352 D HA -0.181 4.473 4.640 0.024 0.000 0.197 352 D C 1.851 178.117 176.300 -0.056 0.000 0.995 352 D CA 1.762 55.727 54.000 -0.059 0.000 0.846 352 D CB 0.109 40.885 40.800 -0.041 0.000 0.941 352 D HN 0.696 nan 8.370 nan 0.000 0.456 353 A N 0.523 123.316 122.820 -0.046 0.000 1.970 353 A HA -0.122 4.213 4.320 0.024 0.000 0.216 353 A C 2.053 179.605 177.584 -0.053 0.000 1.170 353 A CA 1.052 53.065 52.037 -0.040 0.000 0.645 353 A CB -0.301 18.683 19.000 -0.026 0.000 0.816 353 A HN 0.168 nan 8.150 nan 0.000 0.447 354 E N -0.465 119.697 120.200 -0.063 0.000 2.047 354 E HA -0.182 4.183 4.350 0.024 0.000 0.191 354 E C 2.273 178.817 176.600 -0.093 0.000 0.987 354 E CA 1.124 57.477 56.400 -0.079 0.000 0.799 354 E CB -0.187 29.466 29.700 -0.079 0.000 0.752 354 E HN 0.565 nan 8.360 nan 0.000 0.449 355 R N 0.677 121.102 120.500 -0.125 0.000 2.096 355 R HA -0.205 4.149 4.340 0.024 0.000 0.240 355 R C 2.279 178.543 176.300 -0.060 0.000 1.139 355 R CA 1.546 57.557 56.100 -0.148 0.000 0.952 355 R CB -0.284 29.911 30.300 -0.175 0.000 0.854 355 R HN 0.179 nan 8.270 nan 0.000 0.436 356 A N 0.601 123.388 122.820 -0.054 0.000 1.908 356 A HA -0.133 4.202 4.320 0.024 0.000 0.218 356 A C 2.369 179.929 177.584 -0.040 0.000 1.181 356 A CA 1.810 53.825 52.037 -0.037 0.000 0.627 356 A CB -0.838 18.141 19.000 -0.035 0.000 0.818 356 A HN 0.565 nan 8.150 nan 0.000 0.445 357 A N -0.181 122.605 122.820 -0.057 0.000 1.940 357 A HA -0.098 4.236 4.320 0.024 0.000 0.219 357 A C 2.117 179.660 177.584 -0.067 0.000 1.176 357 A CA 1.629 53.619 52.037 -0.078 0.000 0.631 357 A CB -0.602 18.335 19.000 -0.104 0.000 0.814 357 A HN 0.523 nan 8.150 nan 0.000 0.446 358 I N -0.879 119.667 120.570 -0.039 0.000 2.233 358 I HA -0.157 4.027 4.170 0.024 0.000 0.243 358 I C 2.394 178.516 176.117 0.008 0.000 1.093 358 I CA 1.031 62.328 61.300 -0.005 0.000 1.380 358 I CB -0.350 37.702 38.000 0.087 0.000 1.067 358 I HN 0.176 nan 8.210 nan 0.000 0.413 359 E N 1.146 121.359 120.200 0.021 0.000 2.171 359 E HA -0.234 4.131 4.350 0.024 0.000 0.197 359 E C 1.963 178.560 176.600 -0.005 0.000 0.997 359 E CA 1.160 57.570 56.400 0.016 0.000 0.810 359 E CB -0.227 29.483 29.700 0.017 0.000 0.738 359 E HN 0.538 nan 8.360 nan 0.000 0.467 360 E N -0.194 119.996 120.200 -0.017 0.000 2.265 360 E HA -0.149 4.215 4.350 0.024 0.000 0.196 360 E C 1.652 178.238 176.600 -0.023 0.000 0.996 360 E CA 0.533 56.920 56.400 -0.021 0.000 0.832 360 E CB 0.056 29.737 29.700 -0.031 0.000 0.756 360 E HN 0.247 nan 8.360 nan 0.000 0.491 361 I N 0.450 121.003 120.570 -0.028 0.000 2.852 361 I HA -0.112 4.072 4.170 0.024 0.000 0.264 361 I C 2.590 178.688 176.117 -0.031 0.000 1.179 361 I CA 0.492 61.773 61.300 -0.032 0.000 1.480 361 I CB -1.203 36.773 38.000 -0.040 0.000 1.111 361 I HN 0.030 nan 8.210 nan 0.000 0.441 362 V N 2.048 121.947 119.914 -0.025 0.000 2.407 362 V HA -0.069 4.065 4.120 0.024 0.000 0.248 362 V C -0.198 175.880 176.094 -0.027 0.000 1.055 362 V CA 1.589 63.874 62.300 -0.026 0.000 1.049 362 V CB -2.039 29.771 31.823 -0.022 0.000 0.662 362 V HN 0.161 nan 8.190 nan 0.000 0.455 363 P HA -0.177 nan 4.420 nan 0.000 0.218 363 P C 1.925 179.204 177.300 -0.035 0.000 1.150 363 P CA 1.812 64.898 63.100 -0.023 0.000 0.841 363 P CB -0.250 31.440 31.700 -0.017 0.000 0.784 364 L N -2.069 119.126 121.223 -0.047 0.000 2.376 364 L HA -0.088 4.267 4.340 0.024 0.000 0.219 364 L C 2.225 179.040 176.870 -0.091 0.000 1.133 364 L CA 0.790 55.585 54.840 -0.075 0.000 0.816 364 L CB -0.808 41.200 42.059 -0.084 0.000 0.933 364 L HN 0.039 nan 8.230 nan 0.000 0.449 365 L N 0.065 121.249 121.223 -0.065 0.000 2.201 365 L HA -0.145 4.210 4.340 0.024 0.000 0.212 365 L C 2.874 179.712 176.870 -0.054 0.000 1.105 365 L CA 0.847 55.652 54.840 -0.058 0.000 0.775 365 L CB -0.637 41.401 42.059 -0.035 0.000 0.913 365 L HN 0.239 nan 8.230 nan 0.000 0.440 366 A N -0.172 122.619 122.820 -0.048 0.000 1.978 366 A HA -0.208 4.126 4.320 0.024 0.000 0.220 366 A C 1.693 179.247 177.584 -0.049 0.000 1.170 366 A CA 1.801 53.816 52.037 -0.036 0.000 0.636 366 A CB -0.353 18.632 19.000 -0.026 0.000 0.810 366 A HN 0.390 nan 8.150 nan 0.000 0.448 367 D N -0.464 119.881 120.400 -0.091 0.000 2.340 367 D HA 0.178 4.833 4.640 0.024 0.000 0.220 367 D C 0.750 176.913 176.300 -0.227 0.000 1.039 367 D CA 0.057 53.978 54.000 -0.132 0.000 0.866 367 D CB 0.010 40.719 40.800 -0.153 0.000 0.913 367 D HN 0.482 nan 8.370 nan 0.000 0.523 368 I N 0.000 120.467 120.570 -0.171 0.000 2.984 368 I HA 0.000 4.185 4.170 0.024 0.000 0.288 368 I CA 0.000 61.240 61.300 -0.100 0.000 1.566 368 I CB 0.000 38.010 38.000 0.017 0.000 1.214 368 I HN 0.000 nan 8.210 nan 0.000 0.494