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 1q15_1_D DATA FIRST_RESID 2 DATA SEQUENCE SNSFCVVYKG SDTDINNIQR DFDGKGEALS NGYLFIEQNG HYQKCEMERG DATA SEQUENCE TAYLIGSLYN RTFLIGLAGV WEGEAYLAND AELLALLFTR LGANALALAE DATA SEQUENCE GDFCFFIDEP NGELTVITES RGFSPVHVVQ GKKAWMTNSL KLVTAAEGEG DATA SEQUENCE ALWFEEEALV CQSLMRADTY TPVKNAQRLK PGAVHVLTHD SEGYSFVESR DATA SEQUENCE TLTTPASNQL LALPREPLLA LIDRYLNAPL EDLAPRFDTV GIPLSGGLDS DATA SEQUENCE SLVTALASRH FKKLNTYSIG TELSNEFEFS QQVADALGTH HQMKILSETE DATA SEQUENCE VINGIIESIY YNEIFDGLSA EIQSGLFNVY RQAQGQVSCM LTGYGSDLLF DATA SEQUENCE GGILKPGAQY DNPNQLLAEQ VYRTRWTGEF ATHGASCYGI DIRHPFWSHS DATA SEQUENCE LISLCHALHP DYKIFDNEVK NILREYADSL QLLPKDIVWR XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXQTKS RFTYRVYQAF LRGRLSITDV TPSQLKDLI 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.652 174.600 0.086 0.000 1.055 2 S CA 0.000 58.290 58.200 0.150 0.000 1.107 2 S CB 0.000 63.281 63.200 0.135 0.000 0.593 3 N N 0.123 118.898 118.700 0.124 0.000 2.365 3 N HA 0.250 4.989 4.740 -0.000 0.000 0.257 3 N C -0.400 175.215 175.510 0.176 0.000 1.287 3 N CA -0.287 52.804 53.050 0.068 0.000 0.882 3 N CB 0.597 39.096 38.487 0.019 0.000 1.250 3 N HN 0.239 nan 8.380 nan 0.000 0.507 4 S N 0.587 116.387 115.700 0.167 0.000 2.645 4 S HA 0.704 5.174 4.470 -0.000 0.000 0.266 4 S C -0.374 174.320 174.600 0.155 0.000 1.258 4 S CA -0.469 57.830 58.200 0.165 0.000 0.990 4 S CB 0.432 63.569 63.200 -0.106 0.000 0.967 4 S HN 0.481 nan 8.310 nan 0.000 0.556 5 F N -1.142 118.806 119.950 -0.003 0.000 2.741 5 F HA 0.770 5.297 4.527 -0.000 0.000 0.313 5 F C -1.090 174.764 175.800 0.091 0.000 1.153 5 F CA -1.570 56.423 58.000 -0.011 0.000 0.931 5 F CB 0.499 39.486 39.000 -0.021 0.000 1.335 5 F HN 0.834 nan 8.300 nan 0.000 0.460 6 C N 0.683 119.977 119.300 -0.010 0.000 3.284 6 C HA 0.906 5.366 4.460 -0.000 0.000 0.338 6 C C -1.735 173.371 174.990 0.193 0.000 1.237 6 C CA -0.969 58.000 59.018 -0.082 0.000 1.276 6 C CB 1.034 28.816 27.740 0.069 0.000 1.601 6 C HN 0.997 nan 8.230 nan 0.000 0.494 7 V N 1.548 121.523 119.914 0.102 0.000 2.656 7 V HA 0.762 4.881 4.120 -0.000 0.000 0.307 7 V C -0.472 175.562 176.094 -0.100 0.000 1.051 7 V CA -0.478 61.816 62.300 -0.010 0.000 0.893 7 V CB 1.720 33.414 31.823 -0.214 0.000 0.999 7 V HN 1.054 nan 8.190 nan 0.000 0.426 8 V N 5.688 125.421 119.914 -0.301 0.000 2.357 8 V HA 0.509 4.629 4.120 -0.000 0.000 0.284 8 V C -0.938 174.912 176.094 -0.406 0.000 1.018 8 V CA -0.482 61.382 62.300 -0.726 0.000 0.841 8 V CB 1.162 32.160 31.823 -1.375 0.000 0.991 8 V HN 0.755 nan 8.190 nan 0.000 0.437 9 Y N 7.131 127.203 120.300 -0.380 0.000 2.526 9 Y HA 0.268 4.818 4.550 -0.000 0.000 0.330 9 Y C 1.258 177.013 175.900 -0.242 0.000 1.156 9 Y CA 0.244 58.211 58.100 -0.221 0.000 1.419 9 Y CB 0.393 38.808 38.460 -0.076 0.000 1.250 9 Y HN 0.776 nan 8.280 nan 0.000 0.540 10 K N 2.190 122.648 120.400 0.096 0.000 3.088 10 K HA -0.172 4.148 4.320 -0.000 0.000 0.273 10 K C 0.046 176.599 176.600 -0.079 0.000 1.111 10 K CA 0.885 57.178 56.287 0.009 0.000 0.803 10 K CB -1.394 31.093 32.500 -0.021 0.000 1.226 10 K HN 0.943 nan 8.250 nan 0.000 0.485 11 G N -0.001 108.724 108.800 -0.124 0.000 2.521 11 G HA2 0.610 4.570 3.960 -0.000 0.000 0.323 11 G HA3 0.610 4.570 3.960 -0.000 0.000 0.323 11 G C 0.011 174.872 174.900 -0.065 0.000 1.211 11 G CA 0.215 45.223 45.100 -0.154 0.000 0.979 11 G HN 0.258 nan 8.290 nan 0.000 0.490 12 S N -1.703 113.922 115.700 -0.126 0.000 2.751 12 S HA 0.390 4.860 4.470 -0.000 0.000 0.310 12 S C 0.853 175.105 174.600 -0.580 0.000 1.128 12 S CA 0.158 58.248 58.200 -0.184 0.000 0.931 12 S CB 1.934 65.053 63.200 -0.135 0.000 1.177 12 S HN 0.708 nan 8.310 nan 0.000 0.530 13 D N 0.004 119.878 120.400 -0.877 0.000 2.312 13 D HA -0.094 4.546 4.640 -0.000 0.000 0.211 13 D C 1.103 177.119 176.300 -0.474 0.000 0.964 13 D CA 1.100 54.392 54.000 -1.179 0.000 0.877 13 D CB -0.685 39.676 40.800 -0.730 0.000 0.924 13 D HN 0.500 nan 8.370 nan 0.000 0.515 14 T N 1.198 115.579 114.554 -0.288 0.000 2.857 14 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 14 T C 1.267 175.906 174.700 -0.102 0.000 1.048 14 T CA 1.128 63.139 62.100 -0.148 0.000 1.139 14 T CB -0.135 68.675 68.868 -0.097 0.000 0.874 14 T HN 0.182 nan 8.240 nan 0.000 0.455 15 D N 1.101 121.442 120.400 -0.100 0.000 2.351 15 D HA -0.029 4.611 4.640 -0.000 0.000 0.216 15 D C 1.623 177.989 176.300 0.109 0.000 0.968 15 D CA 0.605 54.625 54.000 0.032 0.000 0.899 15 D CB 0.019 40.827 40.800 0.012 0.000 0.907 15 D HN 0.339 nan 8.370 nan 0.000 0.514 16 I N 0.852 121.405 120.570 -0.028 0.000 3.035 16 I HA -0.067 4.103 4.170 -0.000 0.000 0.271 16 I C 1.611 177.670 176.117 -0.096 0.000 1.190 16 I CA 0.262 61.544 61.300 -0.029 0.000 1.472 16 I CB -0.793 37.197 38.000 -0.017 0.000 1.116 16 I HN -0.133 nan 8.210 nan 0.000 0.443 17 N N 2.200 120.854 118.700 -0.076 0.000 2.037 17 N HA -0.227 4.513 4.740 -0.000 0.000 0.196 17 N C 1.521 176.991 175.510 -0.066 0.000 1.034 17 N CA 1.542 54.556 53.050 -0.061 0.000 0.861 17 N CB -0.611 37.848 38.487 -0.048 0.000 1.039 17 N HN 0.304 nan 8.380 nan 0.000 0.427 18 N N 0.618 119.283 118.700 -0.059 0.000 2.205 18 N HA -0.066 4.674 4.740 -0.000 0.000 0.186 18 N C 1.743 177.201 175.510 -0.085 0.000 1.015 18 N CA 0.550 53.562 53.050 -0.062 0.000 0.862 18 N CB -0.221 38.233 38.487 -0.054 0.000 0.986 18 N HN 0.382 nan 8.380 nan 0.000 0.429 19 I N 0.995 121.475 120.570 -0.149 0.000 2.252 19 I HA -0.228 3.941 4.170 -0.000 0.000 0.245 19 I C 1.787 177.817 176.117 -0.146 0.000 1.102 19 I CA 0.981 62.156 61.300 -0.209 0.000 1.385 19 I CB -0.241 37.434 38.000 -0.542 0.000 1.064 19 I HN 0.098 nan 8.210 nan 0.000 0.414 20 Q N 0.600 120.298 119.800 -0.171 0.000 2.500 20 Q HA -0.146 4.194 4.340 -0.000 0.000 0.213 20 Q C 2.078 178.074 176.000 -0.006 0.000 0.974 20 Q CA 0.542 56.322 55.803 -0.038 0.000 0.918 20 Q CB -0.080 28.665 28.738 0.011 0.000 0.980 20 Q HN 0.567 nan 8.270 nan 0.000 0.505 21 R N -0.306 120.171 120.500 -0.039 0.000 2.200 21 R HA -0.026 4.314 4.340 -0.000 0.000 0.208 21 R C 0.519 176.758 176.300 -0.101 0.000 1.033 21 R CA 1.231 57.300 56.100 -0.051 0.000 1.000 21 R CB 0.286 30.555 30.300 -0.052 0.000 0.906 21 R HN 0.095 nan 8.270 nan 0.000 0.462 22 D N -0.430 119.880 120.400 -0.150 0.000 2.422 22 D HA 0.154 4.794 4.640 -0.000 0.000 0.218 22 D C -0.474 175.387 176.300 -0.730 0.000 1.047 22 D CA 0.508 54.252 54.000 -0.427 0.000 0.885 22 D CB 0.468 40.967 40.800 -0.500 0.000 1.035 22 D HN 0.066 nan 8.370 nan 0.000 0.502 23 F N 1.505 121.461 119.950 0.010 0.000 2.547 23 F HA 0.271 4.798 4.527 -0.000 0.000 0.316 23 F C 0.118 176.022 175.800 0.173 0.000 1.121 23 F CA -1.180 56.880 58.000 0.100 0.000 0.911 23 F CB 1.765 40.850 39.000 0.142 0.000 1.179 23 F HN -0.404 nan 8.300 nan 0.000 0.443 24 D N 1.788 122.382 120.400 0.324 0.000 2.302 24 D HA 0.587 5.227 4.640 -0.000 0.000 0.248 24 D C 0.334 176.853 176.300 0.364 0.000 1.094 24 D CA 0.366 54.532 54.000 0.277 0.000 0.897 24 D CB 1.829 42.729 40.800 0.167 0.000 1.200 24 D HN 0.847 nan 8.370 nan 0.000 0.429 25 G N 0.552 109.570 108.800 0.363 0.000 2.316 25 G HA2 0.333 4.293 3.960 -0.000 0.000 0.296 25 G HA3 0.333 4.293 3.960 -0.000 0.000 0.296 25 G C -1.530 173.538 174.900 0.281 0.000 1.399 25 G CA -0.967 44.267 45.100 0.224 0.000 0.833 25 G HN 0.460 nan 8.290 nan 0.000 0.565 26 K N -0.662 119.778 120.400 0.068 0.000 2.208 26 K HA 0.820 5.140 4.320 -0.000 0.000 0.247 26 K C 0.153 176.859 176.600 0.176 0.000 0.953 26 K CA -0.630 55.746 56.287 0.147 0.000 0.837 26 K CB 2.481 35.034 32.500 0.089 0.000 1.131 26 K HN 0.941 nan 8.250 nan 0.000 0.431 27 G N 0.596 109.576 108.800 0.299 0.000 2.420 27 G HA2 0.400 4.360 3.960 -0.000 0.000 0.331 27 G HA3 0.400 4.360 3.960 -0.000 0.000 0.331 27 G C -1.507 173.472 174.900 0.132 0.000 1.168 27 G CA -0.536 44.800 45.100 0.395 0.000 0.936 27 G HN 0.700 nan 8.290 nan 0.000 0.479 28 E N 0.251 120.300 120.200 -0.252 0.000 2.292 28 E HA 0.576 4.926 4.350 -0.000 0.000 0.272 28 E C -0.156 175.897 176.600 -0.912 0.000 0.881 28 E CA -0.899 55.272 56.400 -0.381 0.000 0.754 28 E CB 1.972 31.577 29.700 -0.157 0.000 1.201 28 E HN 0.703 nan 8.360 nan 0.000 0.425 29 A N 4.389 126.809 122.820 -0.666 0.000 2.425 29 A HA 0.501 4.821 4.320 -0.000 0.000 0.249 29 A C -0.628 176.783 177.584 -0.288 0.000 1.084 29 A CA -0.068 51.644 52.037 -0.542 0.000 0.781 29 A CB 0.206 19.142 19.000 -0.107 0.000 1.019 29 A HN 0.601 nan 8.150 nan 0.000 0.490 30 L N 1.383 122.462 121.223 -0.240 0.000 2.301 30 L HA 0.391 4.731 4.340 -0.000 0.000 0.264 30 L C 1.721 178.542 176.870 -0.082 0.000 1.016 30 L CA -0.426 54.324 54.840 -0.151 0.000 0.821 30 L CB 1.682 43.600 42.059 -0.235 0.000 1.346 30 L HN 0.882 nan 8.230 nan 0.000 0.429 31 S N 0.847 116.520 115.700 -0.046 0.000 2.380 31 S HA -0.223 4.247 4.470 -0.000 0.000 0.229 31 S C 0.782 175.351 174.600 -0.052 0.000 1.050 31 S CA 2.108 60.290 58.200 -0.029 0.000 1.100 31 S CB -0.213 62.980 63.200 -0.013 0.000 0.984 31 S HN 0.715 nan 8.310 nan 0.000 0.434 32 N N 0.336 118.968 118.700 -0.113 0.000 2.716 32 N HA 0.548 5.288 4.740 -0.000 0.000 0.253 32 N C -0.472 174.884 175.510 -0.256 0.000 1.170 32 N CA 0.663 53.638 53.050 -0.125 0.000 0.807 32 N CB 1.144 39.591 38.487 -0.066 0.000 1.183 32 N HN 0.647 nan 8.380 nan 0.000 0.524 33 G N 0.867 109.572 108.800 -0.158 0.000 2.334 33 G HA2 0.082 4.042 3.960 -0.000 0.000 0.315 33 G HA3 0.082 4.042 3.960 -0.000 0.000 0.315 33 G C -2.338 172.524 174.900 -0.063 0.000 1.284 33 G CA -0.957 44.039 45.100 -0.173 0.000 0.985 33 G HN 0.216 nan 8.290 nan 0.000 0.504 34 Y N -0.425 119.748 120.300 -0.210 0.000 2.504 34 Y HA 0.720 5.270 4.550 -0.000 0.000 0.344 34 Y C -0.508 175.331 175.900 -0.101 0.000 1.023 34 Y CA -1.048 56.975 58.100 -0.129 0.000 1.020 34 Y CB 2.009 40.418 38.460 -0.086 0.000 1.282 34 Y HN 0.726 nan 8.280 nan 0.000 0.454 35 L N 6.380 127.477 121.223 -0.211 0.000 2.334 35 L HA 0.577 4.917 4.340 -0.000 0.000 0.276 35 L C -1.958 175.001 176.870 0.148 0.000 1.014 35 L CA -0.647 54.169 54.840 -0.040 0.000 0.815 35 L CB 1.541 43.484 42.059 -0.193 0.000 1.268 35 L HN 0.717 nan 8.230 nan 0.000 0.428 36 F N 5.585 125.601 119.950 0.109 0.000 2.520 36 F HA 0.678 5.205 4.527 -0.000 0.000 0.322 36 F C -1.143 174.713 175.800 0.094 0.000 1.103 36 F CA -0.900 57.172 58.000 0.119 0.000 0.926 36 F CB 1.408 40.504 39.000 0.160 0.000 1.154 36 F HN 0.333 nan 8.300 nan 0.000 0.453 37 I N 4.904 124.873 120.570 -1.002 0.000 2.499 37 I HA 0.249 4.419 4.170 -0.000 0.000 0.288 37 I C -0.332 175.181 176.117 -1.008 0.000 1.048 37 I CA -0.795 60.021 61.300 -0.807 0.000 1.062 37 I CB 1.965 39.653 38.000 -0.520 0.000 1.238 37 I HN 0.581 nan 8.210 nan 0.000 0.426 38 E N 3.376 123.165 120.200 -0.685 0.000 2.436 38 E HA -0.101 4.249 4.350 -0.000 0.000 0.262 38 E C 0.733 177.256 176.600 -0.128 0.000 1.063 38 E CA 0.132 56.363 56.400 -0.282 0.000 0.944 38 E CB 0.801 30.484 29.700 -0.029 0.000 0.950 38 E HN 0.481 nan 8.360 nan 0.000 0.444 39 Q N 2.377 122.182 119.800 0.007 0.000 2.084 39 Q HA -0.281 4.059 4.340 -0.000 0.000 0.215 39 Q C 0.670 176.674 176.000 0.006 0.000 1.020 39 Q CA 2.114 57.939 55.803 0.036 0.000 0.887 39 Q CB -0.044 28.744 28.738 0.083 0.000 0.975 39 Q HN 0.437 nan 8.270 nan 0.000 0.413 40 N N 0.074 118.764 118.700 -0.016 0.000 2.295 40 N HA 0.179 4.919 4.740 -0.000 0.000 0.221 40 N C -0.537 174.815 175.510 -0.263 0.000 1.129 40 N CA 0.704 53.708 53.050 -0.077 0.000 0.836 40 N CB 0.418 38.883 38.487 -0.036 0.000 1.040 40 N HN 0.278 nan 8.380 nan 0.000 0.494 41 G N -0.050 108.632 108.800 -0.196 0.000 2.395 41 G HA2 0.258 4.218 3.960 -0.000 0.000 0.283 41 G HA3 0.258 4.218 3.960 -0.000 0.000 0.283 41 G C -0.429 174.359 174.900 -0.187 0.000 1.178 41 G CA -0.277 44.686 45.100 -0.228 0.000 0.837 41 G HN 0.258 nan 8.290 nan 0.000 0.518 42 H N 0.276 119.426 119.070 0.134 0.000 2.479 42 H HA 0.535 5.091 4.556 -0.000 0.000 0.335 42 H C -0.790 174.679 175.328 0.234 0.000 1.142 42 H CA -0.206 55.936 56.048 0.157 0.000 1.234 42 H CB 1.795 31.610 29.762 0.088 0.000 1.503 42 H HN 0.682 nan 8.280 nan 0.000 0.510 43 Y N -0.569 119.789 120.300 0.097 0.000 2.573 43 Y HA 0.420 4.970 4.550 -0.000 0.000 0.328 43 Y C -1.793 174.101 175.900 -0.009 0.000 1.170 43 Y CA -0.993 57.117 58.100 0.017 0.000 1.078 43 Y CB 1.087 39.541 38.460 -0.010 0.000 1.341 43 Y HN 0.366 nan 8.280 nan 0.000 0.459 44 Q N 2.828 122.530 119.800 -0.162 0.000 2.484 44 Q HA 0.612 4.952 4.340 -0.000 0.000 0.285 44 Q C -1.439 174.411 176.000 -0.250 0.000 1.097 44 Q CA -1.002 54.634 55.803 -0.279 0.000 0.802 44 Q CB 3.467 32.098 28.738 -0.178 0.000 1.444 44 Q HN 0.923 nan 8.270 nan 0.000 0.429 45 K N -1.245 118.969 120.400 -0.311 0.000 2.495 45 K HA 0.870 5.190 4.320 -0.000 0.000 0.268 45 K C -0.909 175.508 176.600 -0.304 0.000 1.008 45 K CA -0.819 55.217 56.287 -0.417 0.000 0.882 45 K CB 1.728 33.862 32.500 -0.610 0.000 1.443 45 K HN 0.820 nan 8.250 nan 0.000 0.447 46 C N -0.791 118.318 119.300 -0.318 0.000 3.302 46 C HA 0.465 4.925 4.460 -0.000 0.000 0.347 46 C C -1.522 173.355 174.990 -0.189 0.000 1.218 46 C CA -0.811 58.087 59.018 -0.200 0.000 1.234 46 C CB 1.534 29.199 27.740 -0.126 0.000 1.551 46 C HN 0.851 nan 8.230 nan 0.000 0.501 47 E N 2.863 122.986 120.200 -0.127 0.000 2.152 47 E HA 0.405 4.755 4.350 -0.000 0.000 0.285 47 E C -0.003 176.564 176.600 -0.056 0.000 1.043 47 E CA 0.191 56.534 56.400 -0.094 0.000 0.839 47 E CB 1.205 30.864 29.700 -0.068 0.000 1.069 47 E HN 0.741 nan 8.360 nan 0.000 0.399 48 M N 1.569 121.139 119.600 -0.049 0.000 2.531 48 M HA 0.134 4.614 4.480 -0.000 0.000 0.262 48 M C 1.185 177.489 176.300 0.006 0.000 1.168 48 M CA -0.483 54.812 55.300 -0.009 0.000 0.926 48 M CB 0.575 33.169 32.600 -0.010 0.000 1.445 48 M HN 0.209 nan 8.290 nan 0.000 0.531 49 E N 0.134 120.353 120.200 0.032 0.000 2.152 49 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 49 E C 1.077 177.698 176.600 0.035 0.000 0.983 49 E CA 1.008 57.429 56.400 0.035 0.000 0.818 49 E CB -0.020 29.710 29.700 0.050 0.000 0.758 49 E HN 0.247 nan 8.360 nan 0.000 0.467 50 R N 0.296 120.821 120.500 0.043 0.000 2.586 50 R HA 0.346 4.686 4.340 -0.000 0.000 0.306 50 R C -0.376 175.937 176.300 0.022 0.000 1.079 50 R CA 0.426 56.552 56.100 0.044 0.000 1.083 50 R CB 0.059 30.403 30.300 0.074 0.000 1.306 50 R HN 0.215 nan 8.270 nan 0.000 0.567 51 G N -1.605 107.197 108.800 0.004 0.000 2.331 51 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.402 51 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.402 51 G C -1.225 173.650 174.900 -0.042 0.000 1.275 51 G CA -0.752 44.344 45.100 -0.006 0.000 1.003 51 G HN 0.011 nan 8.290 nan 0.000 0.500 52 T N 1.155 115.687 114.554 -0.038 0.000 2.771 52 T HA 0.671 5.021 4.350 -0.000 0.000 0.291 52 T C 0.623 175.197 174.700 -0.209 0.000 0.954 52 T CA 0.732 62.755 62.100 -0.127 0.000 1.045 52 T CB 1.247 70.062 68.868 -0.088 0.000 0.917 52 T HN 1.566 nan 8.240 nan 0.000 0.484 53 A N 3.729 126.333 122.820 -0.360 0.000 2.309 53 A HA 0.705 5.025 4.320 -0.000 0.000 0.298 53 A C -1.162 175.996 177.584 -0.709 0.000 1.165 53 A CA -0.526 51.199 52.037 -0.521 0.000 0.821 53 A CB 0.299 19.085 19.000 -0.358 0.000 1.102 53 A HN 0.844 nan 8.150 nan 0.000 0.500 54 Y N 1.365 121.135 120.300 -0.883 0.000 2.409 54 Y HA 0.530 5.080 4.550 -0.000 0.000 0.343 54 Y C -0.201 175.273 175.900 -0.710 0.000 0.973 54 Y CA -0.787 56.826 58.100 -0.812 0.000 1.064 54 Y CB 2.203 39.898 38.460 -1.275 0.000 1.207 54 Y HN 0.543 nan 8.280 nan 0.000 0.452 55 L N 5.836 126.964 121.223 -0.159 0.000 2.372 55 L HA 0.571 4.911 4.340 -0.000 0.000 0.273 55 L C -1.694 175.191 176.870 0.026 0.000 0.989 55 L CA -0.635 54.216 54.840 0.018 0.000 0.841 55 L CB 0.751 42.872 42.059 0.104 0.000 1.225 55 L HN 0.589 nan 8.230 nan 0.000 0.414 56 I N 4.358 124.905 120.570 -0.038 0.000 2.437 56 I HA 0.844 5.013 4.170 -0.000 0.000 0.298 56 I C 0.845 176.996 176.117 0.058 0.000 0.984 56 I CA 0.525 61.770 61.300 -0.091 0.000 1.214 56 I CB 1.584 39.213 38.000 -0.618 0.000 1.365 56 I HN 0.824 nan 8.210 nan 0.000 0.469 57 G N 4.046 112.919 108.800 0.123 0.000 2.508 57 G HA2 0.076 4.036 3.960 -0.000 0.000 0.220 57 G HA3 0.076 4.036 3.960 -0.000 0.000 0.220 57 G C -0.531 174.484 174.900 0.192 0.000 1.287 57 G CA -0.266 44.941 45.100 0.179 0.000 0.916 57 G HN 1.162 nan 8.290 nan 0.000 0.574 58 S N -1.421 114.373 115.700 0.156 0.000 2.651 58 S HA 0.828 5.298 4.470 -0.000 0.000 0.279 58 S C -0.770 173.798 174.600 -0.054 0.000 1.148 58 S CA -0.804 57.444 58.200 0.080 0.000 0.837 58 S CB 2.071 65.358 63.200 0.145 0.000 1.138 58 S HN 1.194 nan 8.310 nan 0.000 0.478 59 L N 1.892 123.067 121.223 -0.080 0.000 2.322 59 L HA 0.463 4.803 4.340 -0.000 0.000 0.281 59 L C -0.238 176.659 176.870 0.045 0.000 1.014 59 L CA -0.866 53.881 54.840 -0.154 0.000 0.815 59 L CB 1.164 43.110 42.059 -0.188 0.000 1.247 59 L HN 0.773 nan 8.230 nan 0.000 0.421 60 Y N 0.612 120.894 120.300 -0.030 0.000 2.503 60 Y HA 0.009 4.559 4.550 -0.000 0.000 0.278 60 Y C 1.427 177.311 175.900 -0.026 0.000 1.111 60 Y CA -0.354 57.717 58.100 -0.049 0.000 1.270 60 Y CB -0.198 38.196 38.460 -0.109 0.000 1.063 60 Y HN 0.653 nan 8.280 nan 0.000 0.548 61 N N 0.093 118.875 118.700 0.136 0.000 2.535 61 N HA 0.128 4.868 4.740 -0.000 0.000 0.294 61 N C 0.873 176.457 175.510 0.123 0.000 1.408 61 N CA -0.222 52.902 53.050 0.124 0.000 0.927 61 N CB -0.217 38.333 38.487 0.104 0.000 1.276 61 N HN 0.102 nan 8.380 nan 0.000 0.505 62 R N 0.009 120.545 120.500 0.059 0.000 2.113 62 R HA -0.115 4.225 4.340 -0.000 0.000 0.244 62 R C 1.064 177.373 176.300 0.016 0.000 1.142 62 R CA 2.263 58.367 56.100 0.007 0.000 0.953 62 R CB -0.459 29.830 30.300 -0.019 0.000 0.860 62 R HN 0.272 nan 8.270 nan 0.000 0.438 63 T N 0.613 115.197 114.554 0.050 0.000 2.759 63 T HA -0.200 4.150 4.350 -0.000 0.000 0.269 63 T C 1.341 176.079 174.700 0.062 0.000 1.042 63 T CA 1.550 63.679 62.100 0.048 0.000 1.140 63 T CB -0.293 68.614 68.868 0.064 0.000 0.864 63 T HN 0.262 nan 8.240 nan 0.000 0.455 64 F N 1.308 121.249 119.950 -0.014 0.000 2.163 64 F HA 0.121 4.648 4.527 -0.000 0.000 0.297 64 F C 1.860 177.635 175.800 -0.041 0.000 1.094 64 F CA 0.892 58.887 58.000 -0.008 0.000 1.290 64 F CB -0.319 38.693 39.000 0.020 0.000 1.017 64 F HN 0.021 nan 8.300 nan 0.000 0.483 65 L N 0.129 121.355 121.223 0.005 0.000 2.083 65 L HA -0.217 4.122 4.340 -0.000 0.000 0.209 65 L C 2.451 179.152 176.870 -0.282 0.000 1.083 65 L CA 1.273 56.034 54.840 -0.132 0.000 0.752 65 L CB -0.711 41.323 42.059 -0.042 0.000 0.899 65 L HN 0.208 nan 8.230 nan 0.000 0.433 66 I N -0.060 120.360 120.570 -0.249 0.000 2.252 66 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 66 I C 2.616 178.486 176.117 -0.412 0.000 1.102 66 I CA 1.418 62.512 61.300 -0.343 0.000 1.385 66 I CB -0.833 37.027 38.000 -0.235 0.000 1.064 66 I HN 0.277 nan 8.210 nan 0.000 0.414 67 G N 0.936 109.553 108.800 -0.305 0.000 2.448 67 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 67 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 67 G C 1.625 176.305 174.900 -0.366 0.000 1.127 67 G CA 0.510 45.447 45.100 -0.273 0.000 0.766 67 G HN 0.252 nan 8.290 nan 0.000 0.552 68 L N 1.021 121.956 121.223 -0.480 0.000 2.068 68 L HA 0.364 4.704 4.340 -0.000 0.000 0.204 68 L C 2.903 179.450 176.870 -0.539 0.000 1.076 68 L CA 2.074 56.666 54.840 -0.413 0.000 0.753 68 L CB -0.701 41.115 42.059 -0.404 0.000 0.910 68 L HN 0.159 nan 8.230 nan 0.000 0.439 69 A N -0.652 121.711 122.820 -0.762 0.000 2.066 69 A HA 0.080 4.400 4.320 -0.000 0.000 0.218 69 A C 2.200 178.987 177.584 -1.328 0.000 1.157 69 A CA 0.992 52.171 52.037 -1.431 0.000 0.670 69 A CB -1.346 17.128 19.000 -0.877 0.000 0.804 69 A HN 0.526 nan 8.150 nan 0.000 0.453 70 G N -0.632 107.666 108.800 -0.836 0.000 2.509 70 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.218 70 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.218 70 G C 1.344 176.020 174.900 -0.374 0.000 1.124 70 G CA 0.975 45.689 45.100 -0.644 0.000 0.776 70 G HN 0.278 nan 8.290 nan 0.000 0.547 71 V N -0.176 119.530 119.914 -0.346 0.000 2.392 71 V HA -0.141 3.979 4.120 -0.000 0.000 0.249 71 V C 2.175 178.306 176.094 0.061 0.000 1.059 71 V CA 2.191 64.453 62.300 -0.063 0.000 1.051 71 V CB -0.436 31.442 31.823 0.092 0.000 0.658 71 V HN 0.913 nan 8.190 nan 0.000 0.455 72 W N -1.562 119.699 121.300 -0.065 0.000 2.741 72 W HA 0.508 5.168 4.660 -0.000 0.000 0.317 72 W C 0.335 176.826 176.519 -0.047 0.000 1.029 72 W CA -0.240 57.076 57.345 -0.048 0.000 1.511 72 W CB 0.580 30.010 29.460 -0.050 0.000 1.025 72 W HN -0.110 nan 8.180 nan 0.000 0.554 73 E N 0.911 120.807 120.200 -0.506 0.000 2.265 73 E HA 0.262 4.612 4.350 -0.000 0.000 0.262 73 E C 0.845 177.261 176.600 -0.308 0.000 0.889 73 E CA -0.183 56.022 56.400 -0.325 0.000 0.789 73 E CB 1.690 31.160 29.700 -0.383 0.000 1.221 73 E HN 0.156 nan 8.360 nan 0.000 0.414 74 G N 2.540 111.276 108.800 -0.105 0.000 2.471 74 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 74 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 74 G C 1.087 175.983 174.900 -0.007 0.000 1.125 74 G CA 0.267 45.383 45.100 0.028 0.000 0.775 74 G HN 0.462 nan 8.290 nan 0.000 0.548 75 E N 0.094 120.239 120.200 -0.092 0.000 2.472 75 E HA 0.124 4.474 4.350 -0.000 0.000 0.200 75 E C 2.617 179.112 176.600 -0.174 0.000 1.046 75 E CA 0.388 56.736 56.400 -0.086 0.000 0.871 75 E CB -0.024 29.636 29.700 -0.067 0.000 0.806 75 E HN 0.418 nan 8.360 nan 0.000 0.533 76 A N -0.023 122.583 122.820 -0.357 0.000 1.972 76 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 76 A C 1.469 178.801 177.584 -0.419 0.000 1.169 76 A CA 1.051 52.810 52.037 -0.463 0.000 0.635 76 A CB -0.572 18.008 19.000 -0.702 0.000 0.810 76 A HN 0.320 nan 8.150 nan 0.000 0.446 77 Y N -0.377 119.837 120.300 -0.144 0.000 2.274 77 Y HA 0.005 4.555 4.550 -0.000 0.000 0.290 77 Y C 1.426 177.266 175.900 -0.099 0.000 1.145 77 Y CA 0.927 58.957 58.100 -0.117 0.000 1.203 77 Y CB -0.260 38.138 38.460 -0.104 0.000 0.984 77 Y HN 0.148 nan 8.280 nan 0.000 0.533 78 L N -0.184 121.055 121.223 0.025 0.000 3.094 78 L HA 0.496 4.836 4.340 -0.000 0.000 0.254 78 L C 0.231 177.068 176.870 -0.054 0.000 1.298 78 L CA -0.497 54.336 54.840 -0.011 0.000 1.050 78 L CB -0.233 41.824 42.059 -0.003 0.000 1.420 78 L HN -0.008 nan 8.230 nan 0.000 0.548 79 A N 0.411 123.180 122.820 -0.085 0.000 2.325 79 A HA 0.593 4.913 4.320 -0.000 0.000 0.333 79 A C -0.039 177.484 177.584 -0.101 0.000 1.155 79 A CA -0.633 51.345 52.037 -0.098 0.000 0.814 79 A CB 0.878 19.804 19.000 -0.123 0.000 1.206 79 A HN 0.441 nan 8.150 nan 0.000 0.482 80 N N 0.790 119.430 118.700 -0.101 0.000 2.327 80 N HA 0.105 4.845 4.740 -0.000 0.000 0.257 80 N C -0.019 175.424 175.510 -0.112 0.000 1.281 80 N CA -0.144 52.842 53.050 -0.108 0.000 0.942 80 N CB 0.280 38.695 38.487 -0.120 0.000 1.199 80 N HN 0.468 nan 8.380 nan 0.000 0.532 81 D N -0.775 119.557 120.400 -0.113 0.000 2.182 81 D HA -0.155 4.485 4.640 -0.000 0.000 0.201 81 D C 1.662 177.899 176.300 -0.105 0.000 0.986 81 D CA 1.810 55.735 54.000 -0.124 0.000 0.847 81 D CB -0.639 40.090 40.800 -0.117 0.000 0.942 81 D HN 0.682 nan 8.370 nan 0.000 0.467 82 A N 1.172 123.955 122.820 -0.062 0.000 1.872 82 A HA -0.172 4.148 4.320 -0.000 0.000 0.214 82 A C 2.073 179.675 177.584 0.031 0.000 1.187 82 A CA 1.252 53.308 52.037 0.031 0.000 0.614 82 A CB -0.455 18.506 19.000 -0.066 0.000 0.826 82 A HN 0.205 nan 8.150 nan 0.000 0.442 83 E N -0.494 119.679 120.200 -0.046 0.000 2.110 83 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 83 E C 1.905 178.467 176.600 -0.064 0.000 0.988 83 E CA 1.105 57.477 56.400 -0.046 0.000 0.804 83 E CB -0.288 29.369 29.700 -0.071 0.000 0.745 83 E HN 0.478 nan 8.360 nan 0.000 0.458 84 L N 1.159 122.317 121.223 -0.109 0.000 2.017 84 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 84 L C 2.059 178.833 176.870 -0.160 0.000 1.073 84 L CA 1.609 56.359 54.840 -0.150 0.000 0.745 84 L CB -0.332 41.623 42.059 -0.174 0.000 0.894 84 L HN 0.113 nan 8.230 nan 0.000 0.432 85 L N -0.797 120.285 121.223 -0.235 0.000 2.141 85 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 85 L C 2.645 179.333 176.870 -0.303 0.000 1.094 85 L CA 0.946 55.545 54.840 -0.402 0.000 0.763 85 L CB -1.009 40.559 42.059 -0.817 0.000 0.908 85 L HN 0.395 nan 8.230 nan 0.000 0.437 86 A N 0.688 123.445 122.820 -0.105 0.000 1.883 86 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 86 A C 2.260 179.939 177.584 0.158 0.000 1.186 86 A CA 1.414 53.520 52.037 0.115 0.000 0.624 86 A CB -0.732 18.355 19.000 0.144 0.000 0.822 86 A HN 0.328 nan 8.150 nan 0.000 0.444 87 L N -0.515 120.770 121.223 0.103 0.000 2.013 87 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 87 L C 2.634 179.692 176.870 0.313 0.000 1.073 87 L CA 1.564 56.521 54.840 0.194 0.000 0.753 87 L CB -0.717 41.395 42.059 0.089 0.000 0.890 87 L HN 0.416 nan 8.230 nan 0.000 0.432 88 L N -1.582 119.774 121.223 0.221 0.000 2.046 88 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 88 L C 2.569 179.521 176.870 0.136 0.000 1.077 88 L CA 1.268 56.245 54.840 0.230 0.000 0.747 88 L CB -0.700 41.417 42.059 0.097 0.000 0.896 88 L HN 0.153 nan 8.230 nan 0.000 0.432 89 F N 1.680 121.620 119.950 -0.017 0.000 2.046 89 F HA -0.296 4.231 4.527 -0.000 0.000 0.297 89 F C 2.860 178.668 175.800 0.013 0.000 1.123 89 F CA 2.354 60.352 58.000 -0.003 0.000 1.199 89 F CB -0.434 38.589 39.000 0.039 0.000 0.972 89 F HN 0.157 nan 8.300 nan 0.000 0.474 90 T N -1.546 113.160 114.554 0.254 0.000 2.821 90 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 90 T C 1.984 176.639 174.700 -0.075 0.000 1.046 90 T CA 1.430 63.596 62.100 0.110 0.000 1.139 90 T CB -0.419 68.558 68.868 0.182 0.000 0.871 90 T HN 0.248 nan 8.240 nan 0.000 0.454 91 R N 0.981 121.414 120.500 -0.112 0.000 2.090 91 R HA 0.357 4.697 4.340 -0.000 0.000 0.219 91 R C 1.853 177.904 176.300 -0.415 0.000 1.100 91 R CA 1.013 56.885 56.100 -0.380 0.000 0.991 91 R CB -0.583 29.225 30.300 -0.820 0.000 0.893 91 R HN 0.500 nan 8.270 nan 0.000 0.443 92 L N -0.213 120.830 121.223 -0.300 0.000 2.858 92 L HA 0.446 4.786 4.340 -0.000 0.000 0.251 92 L C 0.407 177.147 176.870 -0.215 0.000 1.149 92 L CA -0.086 54.606 54.840 -0.247 0.000 0.955 92 L CB 0.686 42.645 42.059 -0.168 0.000 1.289 92 L HN 0.461 nan 8.230 nan 0.000 0.542 93 G N 0.068 108.688 108.800 -0.299 0.000 2.756 93 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.678 93 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.678 93 G C 0.645 175.330 174.900 -0.358 0.000 1.349 93 G CA -0.236 44.614 45.100 -0.416 0.000 0.847 93 G HN 0.113 nan 8.290 nan 0.000 0.548 94 A N -0.248 122.354 122.820 -0.363 0.000 1.940 94 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 94 A C 2.222 179.812 177.584 0.011 0.000 1.176 94 A CA 2.487 54.503 52.037 -0.035 0.000 0.631 94 A CB -0.534 18.519 19.000 0.088 0.000 0.814 94 A HN 0.912 nan 8.150 nan 0.000 0.446 95 N N 0.496 119.170 118.700 -0.044 0.000 2.258 95 N HA -0.123 4.617 4.740 -0.000 0.000 0.187 95 N C 1.666 177.171 175.510 -0.007 0.000 1.012 95 N CA 1.419 54.453 53.050 -0.026 0.000 0.870 95 N CB -0.460 37.998 38.487 -0.048 0.000 0.977 95 N HN 0.506 nan 8.380 nan 0.000 0.434 96 A N -0.062 122.751 122.820 -0.011 0.000 2.015 96 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 96 A C 1.833 179.446 177.584 0.048 0.000 1.163 96 A CA 0.826 52.876 52.037 0.021 0.000 0.646 96 A CB -0.412 18.599 19.000 0.019 0.000 0.806 96 A HN 0.159 nan 8.150 nan 0.000 0.448 97 L N -0.632 120.625 121.223 0.057 0.000 2.456 97 L HA -0.023 4.317 4.340 -0.000 0.000 0.224 97 L C 2.645 179.609 176.870 0.157 0.000 1.148 97 L CA 1.293 56.181 54.840 0.079 0.000 0.825 97 L CB -0.622 41.495 42.059 0.097 0.000 0.937 97 L HN 0.387 nan 8.230 nan 0.000 0.450 98 A N -1.054 121.823 122.820 0.095 0.000 2.168 98 A HA -0.001 4.319 4.320 -0.000 0.000 0.215 98 A C 2.117 179.691 177.584 -0.017 0.000 1.152 98 A CA 0.752 52.816 52.037 0.045 0.000 0.716 98 A CB -0.492 18.485 19.000 -0.037 0.000 0.794 98 A HN 0.403 nan 8.150 nan 0.000 0.465 99 L N -0.753 120.505 121.223 0.058 0.000 2.395 99 L HA 0.110 4.450 4.340 -0.000 0.000 0.218 99 L C 1.454 178.474 176.870 0.250 0.000 1.130 99 L CA 0.111 55.017 54.840 0.111 0.000 0.826 99 L CB -0.447 41.744 42.059 0.220 0.000 0.941 99 L HN 0.379 nan 8.230 nan 0.000 0.451 100 A N 0.794 123.757 122.820 0.237 0.000 2.340 100 A HA 0.373 4.693 4.320 -0.000 0.000 0.268 100 A C -0.118 177.698 177.584 0.388 0.000 1.100 100 A CA -0.221 51.931 52.037 0.192 0.000 0.803 100 A CB 0.232 19.174 19.000 -0.097 0.000 1.043 100 A HN 0.265 nan 8.150 nan 0.000 0.488 101 E N 0.331 120.653 120.200 0.204 0.000 2.199 101 E HA 0.647 4.997 4.350 -0.000 0.000 0.269 101 E C -0.024 176.538 176.600 -0.064 0.000 0.899 101 E CA -0.451 56.039 56.400 0.150 0.000 0.772 101 E CB 2.113 31.798 29.700 -0.024 0.000 1.155 101 E HN 1.138 nan 8.360 nan 0.000 0.408 102 G N 1.862 110.531 108.800 -0.219 0.000 2.350 102 G HA2 0.009 3.969 3.960 -0.000 0.000 0.304 102 G HA3 0.009 3.969 3.960 -0.000 0.000 0.304 102 G C -1.648 173.077 174.900 -0.292 0.000 1.421 102 G CA -0.905 43.610 45.100 -0.976 0.000 0.934 102 G HN 0.632 nan 8.290 nan 0.000 0.632 103 D N -0.116 120.079 120.400 -0.342 0.000 2.741 103 D HA 0.428 5.068 4.640 -0.000 0.000 0.233 103 D C 0.105 176.460 176.300 0.093 0.000 1.160 103 D CA -0.299 53.707 54.000 0.010 0.000 1.003 103 D CB -0.430 40.416 40.800 0.076 0.000 1.064 103 D HN 0.450 nan 8.370 nan 0.000 0.503 104 F N -0.778 119.187 119.950 0.024 0.000 2.618 104 F HA 0.721 5.248 4.527 -0.000 0.000 0.332 104 F C -1.084 174.802 175.800 0.143 0.000 1.061 104 F CA -1.716 56.319 58.000 0.058 0.000 0.974 104 F CB 1.580 40.588 39.000 0.013 0.000 1.310 104 F HN 0.097 nan 8.300 nan 0.000 0.491 105 C N 2.813 122.281 119.300 0.280 0.000 2.551 105 C HA 0.727 5.187 4.460 -0.000 0.000 0.332 105 C C -1.709 173.544 174.990 0.438 0.000 1.139 105 C CA -0.816 58.374 59.018 0.287 0.000 1.328 105 C CB 0.174 28.111 27.740 0.327 0.000 1.903 105 C HN 0.845 nan 8.230 nan 0.000 0.459 106 F N 7.229 127.382 119.950 0.339 0.000 2.469 106 F HA 0.888 5.415 4.527 -0.000 0.000 0.332 106 F C -0.757 175.186 175.800 0.238 0.000 1.103 106 F CA -0.773 57.341 58.000 0.189 0.000 0.979 106 F CB 1.263 40.390 39.000 0.211 0.000 1.137 106 F HN 0.678 nan 8.300 nan 0.000 0.463 107 F N 4.981 124.647 119.950 -0.474 0.000 2.641 107 F HA 0.727 5.254 4.527 -0.000 0.000 0.308 107 F C -2.064 173.430 175.800 -0.509 0.000 1.105 107 F CA -1.748 56.044 58.000 -0.348 0.000 0.964 107 F CB 0.857 39.795 39.000 -0.104 0.000 1.294 107 F HN 0.253 nan 8.300 nan 0.000 0.442 108 I N 2.080 122.595 120.570 -0.091 0.000 2.378 108 I HA 0.264 4.434 4.170 -0.000 0.000 0.291 108 I C -0.955 175.224 176.117 0.103 0.000 0.992 108 I CA -0.568 60.659 61.300 -0.122 0.000 1.154 108 I CB 1.625 39.493 38.000 -0.220 0.000 1.315 108 I HN 0.588 nan 8.210 nan 0.000 0.448 109 D N 7.214 127.702 120.400 0.146 0.000 2.494 109 D HA 0.101 4.741 4.640 -0.000 0.000 0.217 109 D C -0.162 176.175 176.300 0.061 0.000 1.153 109 D CA -0.220 53.857 54.000 0.127 0.000 0.954 109 D CB 0.514 41.437 40.800 0.205 0.000 1.034 109 D HN 0.331 nan 8.370 nan 0.000 0.518 110 E N 3.280 123.507 120.200 0.045 0.000 2.354 110 E HA 0.105 4.455 4.350 -0.000 0.000 0.269 110 E C -1.743 174.881 176.600 0.040 0.000 1.036 110 E CA -1.632 54.794 56.400 0.043 0.000 0.876 110 E CB 0.920 30.655 29.700 0.059 0.000 1.009 110 E HN 0.318 nan 8.360 nan 0.000 0.416 111 P HA -0.100 nan 4.420 nan 0.000 0.234 111 P C 0.742 178.066 177.300 0.040 0.000 1.167 111 P CA 0.718 63.838 63.100 0.033 0.000 0.763 111 P CB 0.075 31.792 31.700 0.028 0.000 0.835 112 N N -0.718 118.014 118.700 0.052 0.000 2.449 112 N HA 0.016 4.756 4.740 -0.000 0.000 0.191 112 N C 1.286 176.845 175.510 0.082 0.000 1.161 112 N CA 0.920 54.007 53.050 0.063 0.000 0.863 112 N CB -0.531 37.997 38.487 0.069 0.000 0.980 112 N HN 0.164 nan 8.380 nan 0.000 0.458 113 G N 0.839 109.687 108.800 0.081 0.000 2.659 113 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.212 113 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.212 113 G C -0.124 174.886 174.900 0.184 0.000 1.226 113 G CA 0.198 45.371 45.100 0.121 0.000 0.739 113 G HN 0.727 nan 8.290 nan 0.000 0.528 114 E N 2.312 122.639 120.200 0.211 0.000 2.392 114 E HA 0.570 4.920 4.350 -0.000 0.000 0.259 114 E C 0.474 177.148 176.600 0.124 0.000 1.108 114 E CA -0.250 56.301 56.400 0.252 0.000 0.916 114 E CB 1.090 30.919 29.700 0.216 0.000 0.989 114 E HN 1.159 nan 8.360 nan 0.000 0.432 115 L N -1.415 119.872 121.223 0.106 0.000 2.370 115 L HA 0.631 4.971 4.340 -0.000 0.000 0.266 115 L C -0.855 176.071 176.870 0.094 0.000 1.002 115 L CA -1.038 53.833 54.840 0.052 0.000 0.818 115 L CB 2.294 44.312 42.059 -0.068 0.000 1.325 115 L HN 0.373 nan 8.230 nan 0.000 0.418 116 T N 2.307 116.925 114.554 0.106 0.000 2.767 116 T HA 0.600 4.950 4.350 -0.000 0.000 0.284 116 T C -0.170 174.641 174.700 0.185 0.000 0.973 116 T CA -0.344 61.841 62.100 0.141 0.000 0.996 116 T CB 1.586 70.533 68.868 0.132 0.000 0.927 116 T HN 0.444 nan 8.240 nan 0.000 0.456 117 V N 4.509 124.569 119.914 0.244 0.000 2.555 117 V HA 0.587 4.707 4.120 -0.000 0.000 0.302 117 V C -0.623 175.709 176.094 0.397 0.000 1.038 117 V CA -0.929 61.566 62.300 0.325 0.000 0.887 117 V CB 1.721 33.707 31.823 0.271 0.000 0.991 117 V HN 0.716 nan 8.190 nan 0.000 0.434 118 I N 3.402 124.240 120.570 0.447 0.000 2.418 118 I HA 0.492 4.662 4.170 -0.000 0.000 0.287 118 I C 0.432 176.771 176.117 0.370 0.000 1.008 118 I CA -0.001 61.549 61.300 0.417 0.000 1.104 118 I CB 2.289 40.572 38.000 0.471 0.000 1.264 118 I HN 0.805 nan 8.210 nan 0.000 0.438 119 T N 1.789 116.515 114.554 0.288 0.000 2.875 119 T HA 0.637 4.987 4.350 -0.000 0.000 0.284 119 T C -0.073 174.604 174.700 -0.038 0.000 0.995 119 T CA -0.979 61.199 62.100 0.129 0.000 1.060 119 T CB 1.078 70.042 68.868 0.161 0.000 0.967 119 T HN 0.527 nan 8.240 nan 0.000 0.476 120 E N 1.545 121.530 120.200 -0.359 0.000 2.415 120 E HA 0.185 4.535 4.350 -0.000 0.000 0.262 120 E C 0.809 177.350 176.600 -0.097 0.000 1.038 120 E CA -0.237 55.876 56.400 -0.478 0.000 0.921 120 E CB 0.309 29.505 29.700 -0.839 0.000 0.950 120 E HN 0.622 nan 8.360 nan 0.000 0.438 121 S N 2.250 117.966 115.700 0.026 0.000 2.603 121 S HA 0.090 4.559 4.470 -0.000 0.000 0.220 121 S C 1.011 175.620 174.600 0.015 0.000 0.967 121 S CA -0.318 57.899 58.200 0.029 0.000 0.920 121 S CB -0.011 63.185 63.200 -0.006 0.000 0.773 121 S HN 0.458 nan 8.310 nan 0.000 0.529 122 R N 0.110 120.595 120.500 -0.025 0.000 2.394 122 R HA 0.332 4.672 4.340 -0.000 0.000 0.220 122 R C 1.438 177.576 176.300 -0.269 0.000 0.887 122 R CA 0.771 56.765 56.100 -0.178 0.000 1.034 122 R CB 0.162 30.223 30.300 -0.399 0.000 1.179 122 R HN 0.560 nan 8.270 nan 0.000 0.561 123 G N 0.436 109.123 108.800 -0.188 0.000 2.168 123 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.197 123 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.197 123 G C 0.693 175.584 174.900 -0.014 0.000 0.997 123 G CA -0.124 44.927 45.100 -0.083 0.000 0.658 123 G HN 0.285 nan 8.290 nan 0.000 0.513 124 F N 1.063 121.047 119.950 0.057 0.000 2.365 124 F HA 0.268 4.795 4.527 -0.000 0.000 0.300 124 F C 1.855 177.681 175.800 0.044 0.000 1.090 124 F CA 1.472 59.519 58.000 0.079 0.000 1.408 124 F CB 0.443 39.478 39.000 0.059 0.000 1.060 124 F HN 0.295 nan 8.300 nan 0.000 0.534 125 S N 0.041 115.855 115.700 0.190 0.000 2.386 125 S HA 0.328 4.798 4.470 -0.000 0.000 0.152 125 S C -2.755 171.933 174.600 0.147 0.000 1.511 125 S CA -1.433 56.861 58.200 0.157 0.000 1.246 125 S CB 0.106 63.383 63.200 0.129 0.000 1.338 125 S HN -0.260 nan 8.310 nan 0.000 0.409 126 P HA 0.211 nan 4.420 nan 0.000 0.268 126 P C -1.048 176.341 177.300 0.149 0.000 1.204 126 P CA -0.232 62.954 63.100 0.142 0.000 0.768 126 P CB 0.875 32.701 31.700 0.209 0.000 0.842 127 V N 4.573 124.510 119.914 0.038 0.000 2.487 127 V HA 0.317 4.437 4.120 -0.000 0.000 0.298 127 V C -0.264 175.754 176.094 -0.126 0.000 1.028 127 V CA -0.473 61.838 62.300 0.019 0.000 0.860 127 V CB 1.301 33.148 31.823 0.039 0.000 0.991 127 V HN 0.579 nan 8.190 nan 0.000 0.427 128 H N 1.990 121.026 119.070 -0.057 0.000 2.616 128 H HA 0.749 5.305 4.556 -0.000 0.000 0.353 128 H C -0.667 174.612 175.328 -0.082 0.000 1.170 128 H CA -0.603 55.405 56.048 -0.066 0.000 1.212 128 H CB 2.125 31.852 29.762 -0.058 0.000 1.653 128 H HN 0.399 nan 8.280 nan 0.000 0.537 129 V N 3.282 123.217 119.914 0.036 0.000 2.407 129 V HA 0.278 4.398 4.120 -0.000 0.000 0.291 129 V C -0.634 175.468 176.094 0.013 0.000 1.018 129 V CA -0.657 61.649 62.300 0.010 0.000 0.842 129 V CB 1.383 33.183 31.823 -0.038 0.000 0.996 129 V HN 0.472 nan 8.190 nan 0.000 0.426 130 V N 4.422 124.355 119.914 0.031 0.000 2.483 130 V HA 0.485 4.605 4.120 -0.000 0.000 0.295 130 V C -0.193 175.901 176.094 0.000 0.000 1.035 130 V CA -0.737 61.539 62.300 -0.040 0.000 0.896 130 V CB 1.839 33.599 31.823 -0.106 0.000 0.986 130 V HN 0.876 nan 8.190 nan 0.000 0.447 131 Q N 2.792 122.524 119.800 -0.114 0.000 2.466 131 Q HA 0.619 4.959 4.340 -0.000 0.000 0.242 131 Q C 0.049 175.941 176.000 -0.180 0.000 1.046 131 Q CA 0.160 55.908 55.803 -0.091 0.000 0.841 131 Q CB 0.963 29.634 28.738 -0.112 0.000 1.193 131 Q HN 0.928 nan 8.270 nan 0.000 0.508 132 G N 2.106 110.894 108.800 -0.021 0.000 3.194 132 G HA2 0.168 4.128 3.960 -0.000 0.000 0.160 132 G HA3 0.168 4.128 3.960 -0.000 0.000 0.160 132 G C 0.083 175.024 174.900 0.067 0.000 1.267 132 G CA -0.456 44.619 45.100 -0.041 0.000 0.962 132 G HN 0.545 nan 8.290 nan 0.000 0.612 133 K N -0.100 120.374 120.400 0.122 0.000 2.103 133 K HA -0.022 4.298 4.320 -0.000 0.000 0.207 133 K C 0.664 177.320 176.600 0.094 0.000 1.048 133 K CA 1.172 57.526 56.287 0.112 0.000 0.930 133 K CB -0.087 32.484 32.500 0.119 0.000 0.716 133 K HN 0.149 nan 8.250 nan 0.000 0.444 134 K N -0.753 119.734 120.400 0.145 0.000 2.378 134 K HA 0.514 4.834 4.320 -0.000 0.000 0.244 134 K C -1.317 175.288 176.600 0.008 0.000 1.039 134 K CA -0.906 55.378 56.287 -0.005 0.000 0.863 134 K CB 2.023 34.413 32.500 -0.184 0.000 1.326 134 K HN -0.063 nan 8.250 nan 0.000 0.460 135 A N 1.012 123.772 122.820 -0.099 0.000 2.289 135 A HA 0.491 4.811 4.320 -0.000 0.000 0.298 135 A C -1.581 175.910 177.584 -0.155 0.000 1.208 135 A CA -0.298 51.729 52.037 -0.017 0.000 0.845 135 A CB -0.164 18.854 19.000 0.030 0.000 1.125 135 A HN 0.548 nan 8.150 nan 0.000 0.517 136 W N 1.391 122.674 121.300 -0.028 0.000 2.736 136 W HA 0.631 5.291 4.660 -0.000 0.000 0.335 136 W C -0.091 176.382 176.519 -0.077 0.000 1.059 136 W CA -0.496 56.817 57.345 -0.053 0.000 1.226 136 W CB 1.849 31.254 29.460 -0.092 0.000 1.416 136 W HN 0.603 nan 8.180 nan 0.000 0.505 137 M N 3.861 123.529 119.600 0.114 0.000 2.181 137 M HA 0.625 5.105 4.480 -0.000 0.000 0.323 137 M C -0.779 175.463 176.300 -0.098 0.000 1.004 137 M CA 0.169 55.468 55.300 -0.001 0.000 0.941 137 M CB 1.381 33.949 32.600 -0.054 0.000 1.579 137 M HN 0.449 nan 8.290 nan 0.000 0.427 138 T N 1.673 116.130 114.554 -0.162 0.000 2.816 138 T HA 0.440 4.790 4.350 -0.000 0.000 0.299 138 T C -0.284 174.226 174.700 -0.317 0.000 1.230 138 T CA -0.649 61.216 62.100 -0.391 0.000 1.007 138 T CB 1.131 69.843 68.868 -0.259 0.000 1.289 138 T HN 0.829 nan 8.240 nan 0.000 0.508 139 N N 0.710 119.158 118.700 -0.421 0.000 2.187 139 N HA 0.230 4.970 4.740 -0.000 0.000 0.212 139 N C -0.373 175.094 175.510 -0.071 0.000 1.152 139 N CA -0.346 52.659 53.050 -0.074 0.000 0.872 139 N CB 0.804 39.363 38.487 0.120 0.000 1.025 139 N HN 0.272 nan 8.380 nan 0.000 0.514 140 S N 0.463 116.024 115.700 -0.233 0.000 2.775 140 S HA 0.404 4.873 4.470 -0.000 0.000 0.277 140 S C 0.652 175.061 174.600 -0.319 0.000 1.156 140 S CA -0.681 57.324 58.200 -0.325 0.000 1.081 140 S CB 0.126 63.044 63.200 -0.469 0.000 1.054 140 S HN 0.171 nan 8.310 nan 0.000 0.482 141 L N 4.675 125.723 121.223 -0.292 0.000 2.131 141 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 141 L C 2.569 179.258 176.870 -0.302 0.000 1.092 141 L CA 1.392 56.047 54.840 -0.308 0.000 0.759 141 L CB -0.383 41.495 42.059 -0.301 0.000 0.903 141 L HN 0.699 nan 8.230 nan 0.000 0.435 142 K N 0.530 120.749 120.400 -0.301 0.000 2.211 142 K HA -0.134 4.186 4.320 -0.000 0.000 0.203 142 K C 1.923 178.346 176.600 -0.295 0.000 1.050 142 K CA 1.128 57.273 56.287 -0.237 0.000 0.945 142 K CB -0.344 32.051 32.500 -0.175 0.000 0.732 142 K HN 0.290 nan 8.250 nan 0.000 0.451 143 L N 1.350 122.308 121.223 -0.442 0.000 2.083 143 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 143 L C 2.455 179.030 176.870 -0.492 0.000 1.083 143 L CA 0.787 55.342 54.840 -0.477 0.000 0.752 143 L CB -0.496 41.311 42.059 -0.420 0.000 0.899 143 L HN 0.019 nan 8.230 nan 0.000 0.433 144 V N -0.653 118.930 119.914 -0.551 0.000 2.343 144 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 144 V C 2.561 178.327 176.094 -0.546 0.000 1.051 144 V CA 2.312 64.140 62.300 -0.786 0.000 1.036 144 V CB -0.758 30.653 31.823 -0.686 0.000 0.654 144 V HN 0.463 nan 8.190 nan 0.000 0.451 145 T N 0.569 114.922 114.554 -0.334 0.000 2.720 145 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 145 T C 2.004 176.613 174.700 -0.151 0.000 1.037 145 T CA 1.742 63.726 62.100 -0.193 0.000 1.144 145 T CB -0.432 68.381 68.868 -0.092 0.000 0.864 145 T HN 0.578 nan 8.240 nan 0.000 0.444 146 A N 0.847 123.593 122.820 -0.124 0.000 2.015 146 A HA 0.275 4.595 4.320 -0.000 0.000 0.219 146 A C 2.483 179.987 177.584 -0.134 0.000 1.163 146 A CA 1.618 53.623 52.037 -0.054 0.000 0.646 146 A CB -0.692 18.378 19.000 0.116 0.000 0.806 146 A HN 0.512 nan 8.150 nan 0.000 0.448 147 A N -0.566 122.091 122.820 -0.273 0.000 1.903 147 A HA 0.044 4.364 4.320 -0.000 0.000 0.213 147 A C 1.799 179.288 177.584 -0.158 0.000 1.185 147 A CA 1.245 53.119 52.037 -0.271 0.000 0.628 147 A CB -0.112 18.525 19.000 -0.605 0.000 0.830 147 A HN 0.524 nan 8.150 nan 0.000 0.446 148 E N -1.520 118.561 120.200 -0.198 0.000 2.490 148 E HA 0.398 4.748 4.350 -0.000 0.000 0.209 148 E C 0.537 177.106 176.600 -0.051 0.000 0.971 148 E CA 0.261 56.611 56.400 -0.082 0.000 0.988 148 E CB 0.780 30.438 29.700 -0.069 0.000 1.029 148 E HN 0.621 nan 8.360 nan 0.000 0.496 149 G N 1.590 110.348 108.800 -0.069 0.000 2.392 149 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.677 149 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.677 149 G C -0.009 174.878 174.900 -0.021 0.000 1.334 149 G CA -0.280 44.801 45.100 -0.032 0.000 0.961 149 G HN 0.069 nan 8.290 nan 0.000 0.616 150 E N -0.637 119.563 120.200 -0.001 0.000 2.209 150 E HA -0.067 4.283 4.350 -0.000 0.000 0.196 150 E C 2.090 178.721 176.600 0.051 0.000 0.993 150 E CA 1.756 58.167 56.400 0.018 0.000 0.819 150 E CB -0.367 29.341 29.700 0.012 0.000 0.745 150 E HN 0.857 nan 8.360 nan 0.000 0.477 151 G N -0.689 108.147 108.800 0.060 0.000 3.337 151 G HA2 0.244 4.204 3.960 -0.000 0.000 0.246 151 G HA3 0.244 4.204 3.960 -0.000 0.000 0.246 151 G C 1.202 176.209 174.900 0.178 0.000 1.131 151 G CA 0.356 45.527 45.100 0.118 0.000 0.773 151 G HN 0.295 nan 8.290 nan 0.000 0.544 152 A N 0.493 123.345 122.820 0.054 0.000 1.908 152 A HA 0.149 4.469 4.320 -0.000 0.000 0.218 152 A C 1.165 178.643 177.584 -0.177 0.000 1.181 152 A CA 0.595 52.607 52.037 -0.042 0.000 0.627 152 A CB -0.241 18.665 19.000 -0.157 0.000 0.818 152 A HN 0.347 nan 8.150 nan 0.000 0.445 153 L N 0.111 121.221 121.223 -0.188 0.000 2.275 153 L HA 0.278 4.618 4.340 -0.000 0.000 0.288 153 L C -0.941 175.754 176.870 -0.292 0.000 1.046 153 L CA -0.793 53.786 54.840 -0.435 0.000 0.805 153 L CB 0.877 42.567 42.059 -0.615 0.000 1.193 153 L HN 0.397 nan 8.230 nan 0.000 0.426 154 W N 3.527 124.539 121.300 -0.479 0.000 2.314 154 W HA 0.434 5.094 4.660 -0.000 0.000 0.310 154 W C -0.528 175.758 176.519 -0.389 0.000 1.075 154 W CA -1.367 55.788 57.345 -0.317 0.000 1.253 154 W CB 0.050 29.419 29.460 -0.151 0.000 1.238 154 W HN 0.169 nan 8.180 nan 0.000 0.440 155 F N 1.704 121.777 119.950 0.205 0.000 2.399 155 F HA 0.275 4.802 4.527 -0.000 0.000 0.328 155 F C 1.230 177.131 175.800 0.169 0.000 1.084 155 F CA -0.745 57.358 58.000 0.172 0.000 1.053 155 F CB 0.849 39.927 39.000 0.129 0.000 1.209 155 F HN 0.096 nan 8.300 nan 0.000 0.502 156 E N 1.099 121.535 120.200 0.394 0.000 2.349 156 E HA 0.095 4.444 4.350 -0.000 0.000 0.262 156 E C -0.516 176.265 176.600 0.302 0.000 1.088 156 E CA -0.348 56.206 56.400 0.255 0.000 0.899 156 E CB 0.723 30.512 29.700 0.147 0.000 1.044 156 E HN 0.587 nan 8.360 nan 0.000 0.420 157 E N 1.538 121.854 120.200 0.193 0.000 2.415 157 E HA -0.090 4.260 4.350 -0.000 0.000 0.263 157 E C 1.175 177.906 176.600 0.218 0.000 0.995 157 E CA 0.190 56.694 56.400 0.174 0.000 0.915 157 E CB 0.398 30.160 29.700 0.104 0.000 0.951 157 E HN 0.457 nan 8.360 nan 0.000 0.449 158 E N 3.202 123.574 120.200 0.287 0.000 2.171 158 E HA -0.295 4.055 4.350 -0.000 0.000 0.197 158 E C 1.766 178.449 176.600 0.138 0.000 0.997 158 E CA 1.250 57.842 56.400 0.320 0.000 0.810 158 E CB -0.199 29.699 29.700 0.330 0.000 0.738 158 E HN 0.545 nan 8.360 nan 0.000 0.467 159 A N 1.085 123.968 122.820 0.105 0.000 1.940 159 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 159 A C 2.119 179.726 177.584 0.038 0.000 1.176 159 A CA 1.297 53.371 52.037 0.063 0.000 0.631 159 A CB -0.331 18.701 19.000 0.054 0.000 0.814 159 A HN 0.231 nan 8.150 nan 0.000 0.446 160 L N -1.227 120.020 121.223 0.041 0.000 2.375 160 L HA 0.059 4.399 4.340 -0.000 0.000 0.215 160 L C 2.242 179.102 176.870 -0.017 0.000 1.108 160 L CA 0.852 55.703 54.840 0.019 0.000 0.830 160 L CB 0.001 42.083 42.059 0.039 0.000 0.959 160 L HN 0.184 nan 8.230 nan 0.000 0.457 161 V N -2.165 117.717 119.914 -0.053 0.000 2.500 161 V HA -0.163 3.957 4.120 -0.000 0.000 0.243 161 V C 1.802 177.789 176.094 -0.179 0.000 1.039 161 V CA 1.138 63.330 62.300 -0.179 0.000 1.053 161 V CB -0.137 31.369 31.823 -0.527 0.000 0.695 161 V HN 0.453 nan 8.190 nan 0.000 0.463 162 C N 1.412 120.655 119.300 -0.095 0.000 2.578 162 C HA 0.079 4.539 4.460 -0.000 0.000 0.285 162 C C 2.427 177.410 174.990 -0.012 0.000 1.297 162 C CA -0.126 58.877 59.018 -0.025 0.000 1.690 162 C CB -1.763 26.004 27.740 0.045 0.000 1.773 162 C HN 0.735 nan 8.230 nan 0.000 0.594 163 Q N 1.081 120.858 119.800 -0.039 0.000 1.946 163 Q HA -0.035 4.305 4.340 -0.000 0.000 0.199 163 Q C 1.272 177.249 176.000 -0.038 0.000 0.979 163 Q CA 1.213 56.998 55.803 -0.029 0.000 0.834 163 Q CB -0.437 28.281 28.738 -0.034 0.000 0.899 163 Q HN 0.392 nan 8.270 nan 0.000 0.431 164 S N -0.037 115.614 115.700 -0.082 0.000 2.617 164 S HA 0.301 4.771 4.470 -0.000 0.000 0.269 164 S C 0.753 175.321 174.600 -0.054 0.000 1.292 164 S CA -0.722 57.431 58.200 -0.078 0.000 1.010 164 S CB 0.845 63.969 63.200 -0.126 0.000 0.944 164 S HN 0.457 nan 8.310 nan 0.000 0.536 165 L N 1.190 122.416 121.223 0.005 0.000 2.590 165 L HA 0.543 4.883 4.340 -0.000 0.000 0.227 165 L C -0.089 176.887 176.870 0.176 0.000 1.099 165 L CA -0.184 54.710 54.840 0.091 0.000 0.872 165 L CB 0.056 42.167 42.059 0.087 0.000 1.088 165 L HN 0.377 nan 8.230 nan 0.000 0.479 166 M N 1.500 121.148 119.600 0.079 0.000 2.321 166 M HA 0.598 5.078 4.480 -0.000 0.000 0.315 166 M C -0.752 175.494 176.300 -0.089 0.000 1.052 166 M CA -0.190 55.193 55.300 0.138 0.000 0.936 166 M CB 2.034 34.703 32.600 0.114 0.000 1.639 166 M HN 0.106 nan 8.290 nan 0.000 0.433 167 R N 0.717 121.102 120.500 -0.193 0.000 2.836 167 R HA 0.857 5.197 4.340 -0.000 0.000 0.269 167 R C -0.687 175.523 176.300 -0.150 0.000 1.010 167 R CA -0.909 54.892 56.100 -0.498 0.000 0.930 167 R CB 1.868 31.400 30.300 -1.281 0.000 1.218 167 R HN 0.829 nan 8.270 nan 0.000 0.473 168 A N 0.641 123.437 122.820 -0.040 0.000 2.366 168 A HA 0.087 4.407 4.320 -0.000 0.000 0.249 168 A C 0.540 178.246 177.584 0.204 0.000 1.084 168 A CA 0.059 52.231 52.037 0.224 0.000 0.794 168 A CB 0.045 19.138 19.000 0.154 0.000 1.034 168 A HN 0.760 nan 8.150 nan 0.000 0.491 169 D N -0.488 120.073 120.400 0.267 0.000 2.371 169 D HA -0.075 4.565 4.640 -0.000 0.000 0.234 169 D C 0.989 177.373 176.300 0.139 0.000 1.049 169 D CA 1.198 55.276 54.000 0.130 0.000 0.907 169 D CB -0.616 40.093 40.800 -0.150 0.000 0.891 169 D HN 0.440 nan 8.370 nan 0.000 0.531 170 T N -4.524 110.108 114.554 0.130 0.000 3.085 170 T HA 0.104 4.454 4.350 -0.000 0.000 0.264 170 T C 0.240 174.984 174.700 0.073 0.000 1.019 170 T CA -0.801 61.344 62.100 0.076 0.000 0.910 170 T CB -0.818 68.087 68.868 0.061 0.000 1.059 170 T HN 0.167 nan 8.240 nan 0.000 0.542 171 Y N 2.502 122.791 120.300 -0.017 0.000 2.425 171 Y HA 0.466 5.016 4.550 -0.000 0.000 0.331 171 Y C 0.131 176.064 175.900 0.055 0.000 1.157 171 Y CA 0.322 58.389 58.100 -0.056 0.000 1.372 171 Y CB 0.880 39.201 38.460 -0.232 0.000 1.253 171 Y HN 0.164 nan 8.280 nan 0.000 0.536 172 T N 7.520 121.559 114.554 -0.859 0.000 2.993 172 T HA 0.330 4.680 4.350 -0.000 0.000 0.312 172 T C -2.410 171.771 174.700 -0.865 0.000 1.115 172 T CA -1.678 60.099 62.100 -0.537 0.000 1.027 172 T CB 1.657 70.520 68.868 -0.009 0.000 1.116 172 T HN 0.565 nan 8.240 nan 0.000 0.464 173 P HA 0.177 nan 4.420 nan 0.000 0.249 173 P C 0.023 177.299 177.300 -0.039 0.000 1.229 173 P CA 0.035 62.919 63.100 -0.359 0.000 0.788 173 P CB 0.128 31.602 31.700 -0.376 0.000 1.072 174 V N 1.920 121.768 119.914 -0.110 0.000 2.353 174 V HA 0.128 4.248 4.120 -0.000 0.000 0.264 174 V C 1.681 177.684 176.094 -0.151 0.000 1.049 174 V CA -0.180 62.014 62.300 -0.177 0.000 0.896 174 V CB 0.848 32.524 31.823 -0.246 0.000 1.025 174 V HN -0.007 nan 8.190 nan 0.000 0.475 175 K N 3.248 123.598 120.400 -0.083 0.000 2.057 175 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 175 K C 1.237 177.795 176.600 -0.070 0.000 1.049 175 K CA 1.527 57.803 56.287 -0.018 0.000 0.931 175 K CB -0.073 32.501 32.500 0.123 0.000 0.714 175 K HN 0.800 nan 8.250 nan 0.000 0.440 176 N N 0.681 119.257 118.700 -0.207 0.000 2.466 176 N HA 0.139 4.879 4.740 -0.000 0.000 0.251 176 N C -0.751 174.572 175.510 -0.311 0.000 1.164 176 N CA 0.011 52.827 53.050 -0.390 0.000 0.888 176 N CB 0.572 38.434 38.487 -1.041 0.000 1.177 176 N HN 0.046 nan 8.380 nan 0.000 0.498 177 A N 0.331 123.040 122.820 -0.185 0.000 2.612 177 A HA 0.562 4.882 4.320 -0.000 0.000 0.293 177 A C -1.456 176.096 177.584 -0.054 0.000 1.075 177 A CA -0.876 51.093 52.037 -0.113 0.000 0.680 177 A CB 1.468 20.402 19.000 -0.109 0.000 1.279 177 A HN 0.409 nan 8.150 nan 0.000 0.411 178 Q N 0.627 120.412 119.800 -0.025 0.000 2.394 178 Q HA 0.720 5.060 4.340 -0.000 0.000 0.273 178 Q C -0.783 175.169 176.000 -0.079 0.000 1.089 178 Q CA -0.841 54.935 55.803 -0.045 0.000 0.812 178 Q CB 2.170 30.873 28.738 -0.058 0.000 1.353 178 Q HN 0.706 nan 8.270 nan 0.000 0.438 179 R N 3.239 123.647 120.500 -0.153 0.000 2.207 179 R HA 0.365 4.705 4.340 -0.000 0.000 0.334 179 R C -0.730 175.434 176.300 -0.226 0.000 1.013 179 R CA -0.446 55.426 56.100 -0.380 0.000 0.858 179 R CB 0.602 30.694 30.300 -0.346 0.000 1.094 179 R HN 0.724 nan 8.270 nan 0.000 0.457 180 L N 4.744 125.806 121.223 -0.268 0.000 2.462 180 L HA 0.100 4.440 4.340 -0.000 0.000 0.272 180 L C 0.728 177.560 176.870 -0.062 0.000 1.166 180 L CA 0.159 54.845 54.840 -0.258 0.000 0.880 180 L CB 0.420 42.148 42.059 -0.552 0.000 1.142 180 L HN 0.557 nan 8.230 nan 0.000 0.473 181 K N 5.392 125.860 120.400 0.114 0.000 2.472 181 K HA 0.086 4.406 4.320 -0.000 0.000 0.280 181 K C -2.258 174.429 176.600 0.145 0.000 1.028 181 K CA -1.198 55.167 56.287 0.129 0.000 1.045 181 K CB 0.572 33.159 32.500 0.144 0.000 0.902 181 K HN 0.203 nan 8.250 nan 0.000 0.478 182 P HA 0.014 nan 4.420 nan 0.000 0.269 182 P C -0.460 176.872 177.300 0.052 0.000 1.215 182 P CA 0.459 63.588 63.100 0.048 0.000 0.780 182 P CB 0.711 32.411 31.700 0.000 0.000 0.898 183 G N 0.674 109.501 108.800 0.046 0.000 2.314 183 G HA2 0.046 4.006 3.960 -0.000 0.000 0.292 183 G HA3 0.046 4.006 3.960 -0.000 0.000 0.292 183 G C 0.015 174.930 174.900 0.026 0.000 1.059 183 G CA 0.106 45.225 45.100 0.032 0.000 0.982 183 G HN 0.781 nan 8.290 nan 0.000 0.505 184 A N -1.389 121.456 122.820 0.041 0.000 2.587 184 A HA 0.918 5.238 4.320 -0.000 0.000 0.293 184 A C -0.365 177.088 177.584 -0.219 0.000 1.087 184 A CA 0.013 51.978 52.037 -0.120 0.000 0.692 184 A CB 2.279 21.151 19.000 -0.214 0.000 1.291 184 A HN 1.768 nan 8.150 nan 0.000 0.407 185 V N 2.935 122.672 119.914 -0.295 0.000 2.435 185 V HA 0.644 4.764 4.120 -0.000 0.000 0.290 185 V C -0.970 174.894 176.094 -0.383 0.000 1.030 185 V CA -0.326 61.889 62.300 -0.140 0.000 0.881 185 V CB 1.129 32.981 31.823 0.048 0.000 0.983 185 V HN 0.896 nan 8.190 nan 0.000 0.445 186 H N 4.665 123.793 119.070 0.098 0.000 2.637 186 H HA 0.585 5.141 4.556 -0.000 0.000 0.363 186 H C -1.221 174.139 175.328 0.053 0.000 1.131 186 H CA -0.623 55.451 56.048 0.044 0.000 1.183 186 H CB 2.248 32.026 29.762 0.027 0.000 1.637 186 H HN 0.474 nan 8.280 nan 0.000 0.531 187 V N 3.874 123.859 119.914 0.119 0.000 2.376 187 V HA 0.103 4.223 4.120 -0.000 0.000 0.287 187 V C -0.274 175.850 176.094 0.050 0.000 1.015 187 V CA -0.698 61.658 62.300 0.094 0.000 0.834 187 V CB 1.445 33.314 31.823 0.077 0.000 1.001 187 V HN 0.414 nan 8.190 nan 0.000 0.428 188 L N 6.181 127.458 121.223 0.091 0.000 2.356 188 L HA 0.403 4.743 4.340 -0.000 0.000 0.282 188 L C 1.049 178.001 176.870 0.137 0.000 1.132 188 L CA 0.734 55.626 54.840 0.087 0.000 0.923 188 L CB 0.620 42.793 42.059 0.190 0.000 1.278 188 L HN 0.920 nan 8.230 nan 0.000 0.436 189 T N -0.790 113.772 114.554 0.013 0.000 2.893 189 T HA 0.541 4.891 4.350 -0.000 0.000 0.281 189 T C -0.154 174.406 174.700 -0.233 0.000 1.027 189 T CA -0.648 61.483 62.100 0.052 0.000 0.953 189 T CB 1.256 70.200 68.868 0.126 0.000 1.434 189 T HN 0.391 nan 8.240 nan 0.000 0.597 190 H N 0.702 119.783 119.070 0.019 0.000 2.947 190 H HA 0.327 4.883 4.556 -0.000 0.000 0.354 190 H C -1.034 174.303 175.328 0.016 0.000 1.085 190 H CA -0.625 55.400 56.048 -0.038 0.000 1.253 190 H CB 1.903 31.565 29.762 -0.167 0.000 1.757 190 H HN 0.896 nan 8.280 nan 0.000 0.523 191 D N 0.184 120.649 120.400 0.110 0.000 2.414 191 D HA -0.009 4.631 4.640 -0.000 0.000 0.251 191 D C 1.303 177.643 176.300 0.066 0.000 1.252 191 D CA -0.227 53.813 54.000 0.068 0.000 0.999 191 D CB 0.437 41.252 40.800 0.025 0.000 1.093 191 D HN 0.371 nan 8.370 nan 0.000 0.515 192 S N -1.357 114.369 115.700 0.043 0.000 2.461 192 S HA -0.210 4.260 4.470 -0.000 0.000 0.246 192 S C 0.953 175.568 174.600 0.024 0.000 1.007 192 S CA 0.889 59.107 58.200 0.030 0.000 0.976 192 S CB -0.434 62.779 63.200 0.021 0.000 0.763 192 S HN 0.529 nan 8.310 nan 0.000 0.508 193 E N 0.435 120.665 120.200 0.050 0.000 2.558 193 E HA 0.292 4.642 4.350 -0.000 0.000 0.205 193 E C 1.112 177.605 176.600 -0.178 0.000 1.006 193 E CA 0.330 56.726 56.400 -0.006 0.000 0.961 193 E CB 0.195 29.980 29.700 0.141 0.000 1.044 193 E HN 0.624 nan 8.360 nan 0.000 0.465 194 G N 1.379 110.129 108.800 -0.082 0.000 2.153 194 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.252 194 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.252 194 G C -0.192 174.685 174.900 -0.039 0.000 0.994 194 G CA 0.178 45.209 45.100 -0.116 0.000 0.698 194 G HN 0.219 nan 8.290 nan 0.000 0.521 195 Y N 1.024 121.387 120.300 0.105 0.000 2.316 195 Y HA 0.553 5.103 4.550 -0.000 0.000 0.331 195 Y C 1.149 177.037 175.900 -0.020 0.000 1.083 195 Y CA -0.083 58.055 58.100 0.063 0.000 1.206 195 Y CB 1.436 39.895 38.460 -0.002 0.000 1.195 195 Y HN 0.198 nan 8.280 nan 0.000 0.497 196 S N 3.965 119.676 115.700 0.018 0.000 2.560 196 S HA 0.288 4.758 4.470 -0.000 0.000 0.284 196 S C -1.076 173.487 174.600 -0.061 0.000 1.327 196 S CA -0.108 57.850 58.200 -0.403 0.000 1.055 196 S CB -0.136 62.913 63.200 -0.252 0.000 0.868 196 S HN 0.457 nan 8.310 nan 0.000 0.506 197 F N 4.846 124.608 119.950 -0.313 0.000 2.607 197 F HA 0.499 5.026 4.527 -0.000 0.000 0.322 197 F C -1.277 174.459 175.800 -0.106 0.000 1.176 197 F CA -0.935 56.977 58.000 -0.147 0.000 0.977 197 F CB 1.214 40.154 39.000 -0.100 0.000 1.242 197 F HN 0.355 nan 8.300 nan 0.000 0.465 198 V N 5.594 125.198 119.914 -0.518 0.000 2.370 198 V HA 0.363 4.483 4.120 -0.000 0.000 0.279 198 V C -0.528 175.171 176.094 -0.659 0.000 1.029 198 V CA -0.607 61.438 62.300 -0.425 0.000 0.870 198 V CB 1.380 33.083 31.823 -0.200 0.000 0.984 198 V HN 0.663 nan 8.190 nan 0.000 0.451 199 E N 3.266 123.203 120.200 -0.439 0.000 2.073 199 E HA 0.473 4.823 4.350 -0.000 0.000 0.269 199 E C -0.669 175.863 176.600 -0.113 0.000 0.917 199 E CA -0.250 55.954 56.400 -0.326 0.000 0.757 199 E CB 1.422 31.004 29.700 -0.196 0.000 1.111 199 E HN 0.638 nan 8.360 nan 0.000 0.410 200 S N 2.753 118.404 115.700 -0.082 0.000 2.638 200 S HA 0.595 5.065 4.470 -0.000 0.000 0.298 200 S C -0.295 174.242 174.600 -0.105 0.000 1.111 200 S CA -0.814 57.338 58.200 -0.080 0.000 1.027 200 S CB 1.692 64.928 63.200 0.061 0.000 1.064 200 S HN 0.418 nan 8.310 nan 0.000 0.525 201 R N 0.820 121.217 120.500 -0.171 0.000 2.515 201 R HA 0.298 4.638 4.340 -0.000 0.000 0.278 201 R C -0.924 175.307 176.300 -0.115 0.000 1.107 201 R CA -0.280 55.759 56.100 -0.102 0.000 0.945 201 R CB 1.689 31.948 30.300 -0.068 0.000 1.219 201 R HN 0.698 nan 8.270 nan 0.000 0.434 202 T N 2.989 117.505 114.554 -0.064 0.000 2.926 202 T HA 0.199 4.549 4.350 -0.000 0.000 0.307 202 T C 1.167 175.841 174.700 -0.043 0.000 1.059 202 T CA -0.125 61.947 62.100 -0.046 0.000 1.122 202 T CB 0.437 69.296 68.868 -0.015 0.000 0.972 202 T HN 0.548 nan 8.240 nan 0.000 0.545 203 L N 3.729 124.930 121.223 -0.036 0.000 2.607 203 L HA 0.262 4.602 4.340 -0.000 0.000 0.228 203 L C 1.170 178.017 176.870 -0.037 0.000 1.123 203 L CA -0.168 54.655 54.840 -0.030 0.000 0.890 203 L CB -0.210 41.843 42.059 -0.010 0.000 1.103 203 L HN 0.784 nan 8.230 nan 0.000 0.468 204 T N -3.426 111.105 114.554 -0.038 0.000 2.812 204 T HA 0.641 4.991 4.350 -0.000 0.000 0.294 204 T C -0.231 174.447 174.700 -0.037 0.000 1.159 204 T CA -0.498 61.573 62.100 -0.048 0.000 1.008 204 T CB 2.477 71.304 68.868 -0.067 0.000 1.289 204 T HN -0.002 nan 8.240 nan 0.000 0.514 205 T N -1.217 113.310 114.554 -0.044 0.000 2.906 205 T HA 0.751 5.101 4.350 -0.000 0.000 0.295 205 T C -2.955 171.717 174.700 -0.047 0.000 1.075 205 T CA -1.487 60.593 62.100 -0.034 0.000 1.005 205 T CB 0.290 69.141 68.868 -0.029 0.000 1.136 205 T HN 0.627 nan 8.240 nan 0.000 0.498 206 P HA 0.455 nan 4.420 nan 0.000 0.264 206 P C -0.455 176.807 177.300 -0.063 0.000 1.183 206 P CA -0.254 62.815 63.100 -0.051 0.000 0.763 206 P CB 0.091 31.779 31.700 -0.021 0.000 0.807 207 A N 2.577 125.323 122.820 -0.123 0.000 2.287 207 A HA 0.432 4.752 4.320 -0.000 0.000 0.273 207 A C 0.602 178.201 177.584 0.025 0.000 1.091 207 A CA -0.373 51.609 52.037 -0.091 0.000 0.817 207 A CB 0.217 19.095 19.000 -0.204 0.000 1.069 207 A HN 0.528 nan 8.150 nan 0.000 0.492 208 S N -0.052 115.681 115.700 0.055 0.000 2.563 208 S HA 0.019 4.489 4.470 -0.000 0.000 0.284 208 S C 0.549 175.230 174.600 0.135 0.000 1.331 208 S CA -0.225 58.020 58.200 0.075 0.000 1.047 208 S CB -0.133 63.096 63.200 0.048 0.000 0.859 208 S HN 0.610 nan 8.310 nan 0.000 0.514 209 N N 2.289 121.034 118.700 0.074 0.000 2.214 209 N HA 0.111 4.851 4.740 -0.000 0.000 0.214 209 N C -0.589 174.903 175.510 -0.031 0.000 1.132 209 N CA -0.091 52.968 53.050 0.015 0.000 0.856 209 N CB 0.379 38.873 38.487 0.011 0.000 1.020 209 N HN 0.601 nan 8.380 nan 0.000 0.509 210 Q N 0.697 120.493 119.800 -0.007 0.000 2.314 210 Q HA 0.150 4.490 4.340 -0.000 0.000 0.258 210 Q C 0.072 176.055 176.000 -0.027 0.000 0.954 210 Q CA -0.466 55.328 55.803 -0.015 0.000 0.890 210 Q CB 1.247 29.987 28.738 0.004 0.000 1.210 210 Q HN 0.071 nan 8.270 nan 0.000 0.410 211 L N 2.405 123.600 121.223 -0.046 0.000 2.584 211 L HA -0.044 4.296 4.340 -0.000 0.000 0.272 211 L C 0.483 177.365 176.870 0.021 0.000 1.195 211 L CA 0.673 55.479 54.840 -0.057 0.000 0.920 211 L CB -0.285 41.701 42.059 -0.121 0.000 1.173 211 L HN 0.418 nan 8.230 nan 0.000 0.489 212 L N 4.689 125.940 121.223 0.046 0.000 2.334 212 L HA 0.308 4.648 4.340 -0.000 0.000 0.286 212 L C 0.538 177.501 176.870 0.156 0.000 1.108 212 L CA -0.424 54.466 54.840 0.083 0.000 0.875 212 L CB 0.437 42.537 42.059 0.069 0.000 1.246 212 L HN 0.821 nan 8.230 nan 0.000 0.439 213 A N 5.981 128.887 122.820 0.144 0.000 3.091 213 A HA 0.249 4.569 4.320 -0.000 0.000 0.264 213 A C -0.326 177.339 177.584 0.136 0.000 1.673 213 A CA -0.432 51.702 52.037 0.160 0.000 1.362 213 A CB -0.345 18.723 19.000 0.113 0.000 1.137 213 A HN 0.609 nan 8.150 nan 0.000 0.617 214 L N 3.258 124.585 121.223 0.173 0.000 2.305 214 L HA 0.462 4.802 4.340 -0.000 0.000 0.281 214 L C -1.931 175.030 176.870 0.152 0.000 1.085 214 L CA -1.790 53.121 54.840 0.119 0.000 0.813 214 L CB 0.603 42.703 42.059 0.069 0.000 1.157 214 L HN 0.311 nan 8.230 nan 0.000 0.436 215 P HA -0.011 nan 4.420 nan 0.000 0.268 215 P C 0.210 177.569 177.300 0.098 0.000 1.208 215 P CA -0.111 63.053 63.100 0.107 0.000 0.777 215 P CB 0.638 32.375 31.700 0.060 0.000 0.875 216 R N 1.970 122.555 120.500 0.143 0.000 2.097 216 R HA -0.203 4.137 4.340 -0.000 0.000 0.236 216 R C 2.054 178.370 176.300 0.028 0.000 1.135 216 R CA 2.065 58.228 56.100 0.105 0.000 0.934 216 R CB -0.338 30.056 30.300 0.157 0.000 0.846 216 R HN 0.515 nan 8.270 nan 0.000 0.431 217 E N -0.427 119.796 120.200 0.037 0.000 2.049 217 E HA -0.184 4.166 4.350 -0.000 0.000 0.198 217 E C -0.630 175.968 176.600 -0.003 0.000 1.007 217 E CA 1.746 58.158 56.400 0.021 0.000 0.809 217 E CB -0.906 28.809 29.700 0.025 0.000 0.749 217 E HN 0.448 nan 8.360 nan 0.000 0.450 218 P HA -0.176 nan 4.420 nan 0.000 0.215 218 P C 1.625 178.895 177.300 -0.049 0.000 1.157 218 P CA 0.843 63.931 63.100 -0.021 0.000 0.868 218 P CB -0.079 31.619 31.700 -0.004 0.000 0.788 219 L N -0.593 120.591 121.223 -0.065 0.000 2.013 219 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 219 L C 2.094 178.894 176.870 -0.117 0.000 1.073 219 L CA 2.081 56.851 54.840 -0.117 0.000 0.753 219 L CB -1.303 40.604 42.059 -0.253 0.000 0.890 219 L HN 0.016 nan 8.230 nan 0.000 0.432 220 L N -0.347 120.822 121.223 -0.090 0.000 2.093 220 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 220 L C 2.820 179.620 176.870 -0.118 0.000 1.085 220 L CA 1.042 55.837 54.840 -0.075 0.000 0.755 220 L CB -0.676 41.398 42.059 0.026 0.000 0.904 220 L HN 0.311 nan 8.230 nan 0.000 0.435 221 A N 0.191 122.958 122.820 -0.087 0.000 1.902 221 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 221 A C 2.245 179.709 177.584 -0.201 0.000 1.181 221 A CA 1.414 53.389 52.037 -0.105 0.000 0.623 221 A CB -0.640 18.315 19.000 -0.074 0.000 0.818 221 A HN 0.347 nan 8.150 nan 0.000 0.443 222 L N -0.635 120.460 121.223 -0.214 0.000 2.017 222 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 222 L C 2.539 179.193 176.870 -0.359 0.000 1.073 222 L CA 1.340 55.973 54.840 -0.345 0.000 0.745 222 L CB -0.602 41.374 42.059 -0.138 0.000 0.894 222 L HN 0.374 nan 8.230 nan 0.000 0.432 223 I N 0.237 120.668 120.570 -0.231 0.000 2.118 223 I HA -0.369 3.801 4.170 -0.000 0.000 0.241 223 I C 2.260 178.097 176.117 -0.466 0.000 1.070 223 I CA 1.902 63.042 61.300 -0.267 0.000 1.327 223 I CB -0.400 37.379 38.000 -0.369 0.000 1.034 223 I HN 0.339 nan 8.210 nan 0.000 0.405 224 D N 0.562 120.609 120.400 -0.589 0.000 2.149 224 D HA -0.239 4.401 4.640 -0.000 0.000 0.198 224 D C 2.340 178.527 176.300 -0.188 0.000 0.990 224 D CA 1.330 55.106 54.000 -0.373 0.000 0.839 224 D CB -0.026 40.726 40.800 -0.080 0.000 0.948 224 D HN 0.094 nan 8.370 nan 0.000 0.460 225 R N -1.138 119.198 120.500 -0.273 0.000 2.062 225 R HA -0.154 4.186 4.340 -0.000 0.000 0.231 225 R C 1.997 178.179 176.300 -0.197 0.000 1.136 225 R CA 1.270 57.202 56.100 -0.281 0.000 0.948 225 R CB -0.402 29.608 30.300 -0.482 0.000 0.845 225 R HN 0.297 nan 8.270 nan 0.000 0.430 226 Y N 0.738 120.983 120.300 -0.091 0.000 2.352 226 Y HA -0.082 4.468 4.550 -0.000 0.000 0.292 226 Y C 2.116 177.948 175.900 -0.114 0.000 1.136 226 Y CA 0.627 58.670 58.100 -0.094 0.000 1.227 226 Y CB -0.354 38.049 38.460 -0.094 0.000 0.991 226 Y HN 0.077 nan 8.280 nan 0.000 0.545 227 L N -0.455 120.761 121.223 -0.013 0.000 2.131 227 L HA -0.153 4.186 4.340 -0.000 0.000 0.206 227 L C 1.983 178.816 176.870 -0.062 0.000 1.087 227 L CA 0.941 55.718 54.840 -0.105 0.000 0.767 227 L CB -0.285 41.662 42.059 -0.186 0.000 0.917 227 L HN 0.255 nan 8.230 nan 0.000 0.441 228 N N -0.128 118.553 118.700 -0.031 0.000 2.376 228 N HA -0.036 4.704 4.740 -0.000 0.000 0.177 228 N C 1.867 177.307 175.510 -0.117 0.000 1.024 228 N CA 1.027 54.046 53.050 -0.051 0.000 0.893 228 N CB 0.193 38.718 38.487 0.064 0.000 0.980 228 N HN 0.228 nan 8.380 nan 0.000 0.439 229 A N 2.267 125.064 122.820 -0.038 0.000 1.892 229 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 229 A C -0.279 177.282 177.584 -0.039 0.000 1.188 229 A CA 1.450 53.479 52.037 -0.013 0.000 0.631 229 A CB -1.532 17.505 19.000 0.063 0.000 0.822 229 A HN 0.196 nan 8.150 nan 0.000 0.447 230 P HA -0.114 nan 4.420 nan 0.000 0.216 230 P C 1.192 178.461 177.300 -0.052 0.000 1.150 230 P CA 0.770 63.846 63.100 -0.039 0.000 0.837 230 P CB -0.037 31.639 31.700 -0.041 0.000 0.786 231 L N -0.395 120.755 121.223 -0.122 0.000 2.109 231 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 231 L C 2.175 178.863 176.870 -0.303 0.000 1.086 231 L CA 1.720 56.461 54.840 -0.165 0.000 0.760 231 L CB -1.536 40.305 42.059 -0.365 0.000 0.910 231 L HN 0.007 nan 8.230 nan 0.000 0.437 232 E N -0.666 119.327 120.200 -0.346 0.000 2.204 232 E HA -0.265 4.085 4.350 -0.000 0.000 0.195 232 E C 1.448 178.004 176.600 -0.074 0.000 0.990 232 E CA 1.326 57.617 56.400 -0.182 0.000 0.821 232 E CB -0.097 29.553 29.700 -0.083 0.000 0.750 232 E HN 0.516 nan 8.360 nan 0.000 0.477 233 D N 0.043 120.420 120.400 -0.039 0.000 2.194 233 D HA -0.030 4.610 4.640 -0.000 0.000 0.204 233 D C 1.696 178.027 176.300 0.052 0.000 0.964 233 D CA 0.542 54.550 54.000 0.013 0.000 0.846 233 D CB 0.256 41.076 40.800 0.033 0.000 0.962 233 D HN 0.048 nan 8.370 nan 0.000 0.490 234 L N -0.312 120.971 121.223 0.099 0.000 2.354 234 L HA 0.230 4.570 4.340 -0.000 0.000 0.212 234 L C 2.418 179.469 176.870 0.302 0.000 1.091 234 L CA 0.509 55.517 54.840 0.279 0.000 0.828 234 L CB -0.220 42.076 42.059 0.396 0.000 0.973 234 L HN 0.012 nan 8.230 nan 0.000 0.461 235 A N 1.255 124.062 122.820 -0.022 0.000 1.884 235 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 235 A C -0.051 177.503 177.584 -0.050 0.000 1.197 235 A CA 1.982 53.842 52.037 -0.296 0.000 0.637 235 A CB -1.910 16.848 19.000 -0.404 0.000 0.827 235 A HN 0.258 nan 8.150 nan 0.000 0.450 236 P HA -0.154 nan 4.420 nan 0.000 0.221 236 P C 0.923 178.193 177.300 -0.050 0.000 1.145 236 P CA 1.498 64.577 63.100 -0.035 0.000 0.795 236 P CB -0.038 31.640 31.700 -0.036 0.000 0.775 237 R N -2.409 118.054 120.500 -0.062 0.000 2.652 237 R HA 0.357 4.697 4.340 -0.000 0.000 0.372 237 R C -0.843 175.140 176.300 -0.528 0.000 1.104 237 R CA -0.189 55.748 56.100 -0.272 0.000 1.072 237 R CB -0.125 29.955 30.300 -0.366 0.000 1.367 237 R HN 0.018 nan 8.270 nan 0.000 0.577 238 F N 0.168 120.198 119.950 0.133 0.000 2.605 238 F HA 0.301 4.828 4.527 -0.000 0.000 0.320 238 F C 0.353 176.297 175.800 0.240 0.000 1.159 238 F CA -1.171 56.937 58.000 0.180 0.000 0.999 238 F CB 2.206 41.344 39.000 0.230 0.000 1.258 238 F HN -0.195 nan 8.300 nan 0.000 0.464 239 D N 0.770 121.386 120.400 0.361 0.000 2.197 239 D HA 0.044 4.684 4.640 -0.000 0.000 0.212 239 D C 0.353 176.815 176.300 0.269 0.000 0.963 239 D CA 1.296 55.453 54.000 0.261 0.000 0.864 239 D CB 0.539 41.432 40.800 0.155 0.000 1.009 239 D HN 0.402 nan 8.370 nan 0.000 0.479 240 T N 0.327 115.001 114.554 0.200 0.000 2.912 240 T HA 0.513 4.863 4.350 -0.000 0.000 0.288 240 T C -0.615 174.028 174.700 -0.094 0.000 1.030 240 T CA -0.617 61.525 62.100 0.070 0.000 1.020 240 T CB 3.031 71.921 68.868 0.037 0.000 1.056 240 T HN -0.209 nan 8.240 nan 0.000 0.480 241 V N 1.147 120.928 119.914 -0.222 0.000 2.851 241 V HA 0.809 4.929 4.120 -0.000 0.000 0.307 241 V C -0.170 175.802 176.094 -0.202 0.000 1.129 241 V CA -0.359 61.696 62.300 -0.408 0.000 0.932 241 V CB 1.889 33.155 31.823 -0.928 0.000 1.024 241 V HN 1.066 nan 8.190 nan 0.000 0.426 242 G N 6.083 114.802 108.800 -0.135 0.000 2.425 242 G HA2 0.691 4.651 3.960 -0.000 0.000 0.302 242 G HA3 0.691 4.651 3.960 -0.000 0.000 0.302 242 G C -1.053 173.871 174.900 0.040 0.000 1.159 242 G CA -0.496 44.649 45.100 0.074 0.000 0.865 242 G HN 0.623 nan 8.290 nan 0.000 0.515 243 I N 1.492 122.165 120.570 0.171 0.000 2.571 243 I HA 0.282 4.452 4.170 -0.000 0.000 0.289 243 I C -2.713 173.525 176.117 0.203 0.000 1.115 243 I CA -2.691 58.683 61.300 0.125 0.000 1.045 243 I CB 2.362 40.414 38.000 0.087 0.000 1.238 243 I HN 0.172 nan 8.210 nan 0.000 0.424 244 P HA 0.326 nan 4.420 nan 0.000 0.274 244 P C -0.225 177.152 177.300 0.127 0.000 1.470 244 P CA -0.180 63.003 63.100 0.140 0.000 1.001 244 P CB 0.357 32.092 31.700 0.057 0.000 1.332 245 L N 2.892 124.213 121.223 0.164 0.000 2.325 245 L HA 0.086 4.426 4.340 -0.000 0.000 0.284 245 L C 1.379 178.309 176.870 0.100 0.000 1.089 245 L CA 0.246 55.162 54.840 0.126 0.000 0.836 245 L CB 0.687 42.825 42.059 0.131 0.000 1.184 245 L HN 0.360 nan 8.230 nan 0.000 0.444 246 S N 0.943 116.667 115.700 0.041 0.000 2.535 246 S HA 0.147 4.617 4.470 -0.000 0.000 0.214 246 S C 1.339 175.930 174.600 -0.015 0.000 0.980 246 S CA 0.251 58.444 58.200 -0.011 0.000 0.907 246 S CB 0.672 63.838 63.200 -0.056 0.000 0.790 246 S HN 0.971 nan 8.310 nan 0.000 0.510 247 G N 0.640 109.457 108.800 0.029 0.000 2.225 247 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.254 247 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.254 247 G C 0.557 175.457 174.900 -0.001 0.000 0.988 247 G CA -0.032 45.113 45.100 0.075 0.000 0.625 247 G HN 1.070 nan 8.290 nan 0.000 0.527 248 G N -0.667 108.083 108.800 -0.084 0.000 2.588 248 G HA2 0.512 4.472 3.960 -0.000 0.000 0.278 248 G HA3 0.512 4.472 3.960 -0.000 0.000 0.278 248 G C 1.193 176.023 174.900 -0.116 0.000 1.307 248 G CA 0.101 45.103 45.100 -0.164 0.000 1.016 248 G HN 0.620 nan 8.290 nan 0.000 0.503 249 L N -0.437 120.672 121.223 -0.189 0.000 2.056 249 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 249 L C 2.081 178.930 176.870 -0.036 0.000 1.078 249 L CA 2.212 56.980 54.840 -0.121 0.000 0.749 249 L CB -1.030 40.909 42.059 -0.200 0.000 0.901 249 L HN 0.465 nan 8.230 nan 0.000 0.433 250 D N 0.300 120.657 120.400 -0.072 0.000 2.095 250 D HA -0.190 4.450 4.640 -0.000 0.000 0.192 250 D C 2.359 178.732 176.300 0.123 0.000 0.990 250 D CA 2.126 56.120 54.000 -0.011 0.000 0.836 250 D CB -0.379 40.324 40.800 -0.162 0.000 0.979 250 D HN 0.467 nan 8.370 nan 0.000 0.447 251 S N -0.074 115.664 115.700 0.063 0.000 2.399 251 S HA -0.097 4.373 4.470 -0.000 0.000 0.231 251 S C 2.112 176.771 174.600 0.098 0.000 1.022 251 S CA 1.238 59.497 58.200 0.100 0.000 0.983 251 S CB -0.336 62.902 63.200 0.063 0.000 0.803 251 S HN 0.038 nan 8.310 nan 0.000 0.480 252 S N 1.750 117.492 115.700 0.069 0.000 2.383 252 S HA 0.078 4.548 4.470 -0.000 0.000 0.227 252 S C 1.704 176.350 174.600 0.077 0.000 1.026 252 S CA 1.022 59.260 58.200 0.063 0.000 0.981 252 S CB -0.542 62.687 63.200 0.048 0.000 0.818 252 S HN 0.444 nan 8.310 nan 0.000 0.472 253 L N 1.960 123.246 121.223 0.105 0.000 2.027 253 L HA -0.002 4.338 4.340 -0.000 0.000 0.206 253 L C 2.167 179.118 176.870 0.135 0.000 1.074 253 L CA 1.573 56.482 54.840 0.115 0.000 0.745 253 L CB -0.850 41.317 42.059 0.180 0.000 0.898 253 L HN 0.115 nan 8.230 nan 0.000 0.433 254 V N -0.377 119.646 119.914 0.182 0.000 2.332 254 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 254 V C 2.478 178.651 176.094 0.131 0.000 1.055 254 V CA 2.298 64.696 62.300 0.162 0.000 1.038 254 V CB -1.183 30.759 31.823 0.199 0.000 0.651 254 V HN 0.579 nan 8.190 nan 0.000 0.450 255 T N 0.318 114.939 114.554 0.111 0.000 2.788 255 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 255 T C 2.057 176.813 174.700 0.092 0.000 1.044 255 T CA 1.530 63.684 62.100 0.091 0.000 1.139 255 T CB -0.444 68.463 68.868 0.065 0.000 0.867 255 T HN 0.582 nan 8.240 nan 0.000 0.454 256 A N 1.344 124.211 122.820 0.078 0.000 1.877 256 A HA 0.017 4.337 4.320 -0.000 0.000 0.216 256 A C 2.330 179.964 177.584 0.084 0.000 1.186 256 A CA 1.216 53.288 52.037 0.058 0.000 0.620 256 A CB -0.855 18.160 19.000 0.025 0.000 0.822 256 A HN 0.462 nan 8.150 nan 0.000 0.443 257 L N -0.871 120.423 121.223 0.119 0.000 2.056 257 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 257 L C 3.129 180.171 176.870 0.287 0.000 1.078 257 L CA 0.978 55.928 54.840 0.184 0.000 0.749 257 L CB -0.619 41.558 42.059 0.196 0.000 0.901 257 L HN 0.438 nan 8.230 nan 0.000 0.433 258 A N 0.415 123.404 122.820 0.282 0.000 1.917 258 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 258 A C 2.470 180.288 177.584 0.391 0.000 1.182 258 A CA 2.172 54.463 52.037 0.422 0.000 0.633 258 A CB -0.861 18.297 19.000 0.265 0.000 0.819 258 A HN 0.545 nan 8.150 nan 0.000 0.448 259 S N -0.945 114.884 115.700 0.215 0.000 2.500 259 S HA -0.130 4.340 4.470 -0.000 0.000 0.239 259 S C 1.646 176.293 174.600 0.078 0.000 0.989 259 S CA 1.358 59.645 58.200 0.145 0.000 0.951 259 S CB -0.308 62.943 63.200 0.084 0.000 0.759 259 S HN 0.616 nan 8.310 nan 0.000 0.523 260 R N -0.747 119.773 120.500 0.033 0.000 2.362 260 R HA 0.249 4.589 4.340 -0.000 0.000 0.227 260 R C 1.204 177.253 176.300 -0.419 0.000 0.905 260 R CA 0.126 56.129 56.100 -0.163 0.000 1.067 260 R CB 0.130 30.312 30.300 -0.196 0.000 1.078 260 R HN 0.523 nan 8.270 nan 0.000 0.516 261 H N -1.939 117.099 119.070 -0.054 0.000 3.266 261 H HA 0.167 4.723 4.556 -0.000 0.000 0.246 261 H C -0.556 174.451 175.328 -0.534 0.000 0.998 261 H CA 0.231 56.090 56.048 -0.314 0.000 1.152 261 H CB 0.713 30.206 29.762 -0.449 0.000 1.466 261 H HN -0.057 nan 8.280 nan 0.000 0.481 262 F N 0.596 120.625 119.950 0.131 0.000 2.522 262 F HA 0.291 4.818 4.527 -0.000 0.000 0.324 262 F C 1.386 177.224 175.800 0.062 0.000 1.077 262 F CA -0.851 57.208 58.000 0.098 0.000 0.944 262 F CB 2.126 41.184 39.000 0.097 0.000 1.175 262 F HN -0.286 nan 8.300 nan 0.000 0.468 263 K N 1.105 121.644 120.400 0.233 0.000 2.076 263 K HA 0.100 4.420 4.320 -0.000 0.000 0.204 263 K C -0.327 176.355 176.600 0.136 0.000 1.051 263 K CA 1.385 57.755 56.287 0.140 0.000 0.949 263 K CB 0.164 32.725 32.500 0.103 0.000 0.726 263 K HN 0.492 nan 8.250 nan 0.000 0.443 264 K N 1.068 121.558 120.400 0.150 0.000 2.274 264 K HA 0.302 4.622 4.320 -0.000 0.000 0.262 264 K C -1.116 175.536 176.600 0.086 0.000 0.961 264 K CA -0.676 55.672 56.287 0.102 0.000 0.833 264 K CB 1.773 34.315 32.500 0.071 0.000 1.102 264 K HN -0.075 nan 8.250 nan 0.000 0.436 265 L N 3.155 124.423 121.223 0.076 0.000 2.325 265 L HA 0.363 4.702 4.340 -0.000 0.000 0.281 265 L C -0.835 176.067 176.870 0.053 0.000 1.004 265 L CA -0.641 54.231 54.840 0.052 0.000 0.823 265 L CB 1.401 43.503 42.059 0.071 0.000 1.236 265 L HN 0.620 nan 8.230 nan 0.000 0.415 266 N N 1.606 120.322 118.700 0.028 0.000 2.511 266 N HA 0.357 5.097 4.740 -0.000 0.000 0.249 266 N C -0.273 175.227 175.510 -0.017 0.000 0.971 266 N CA -0.258 52.786 53.050 -0.010 0.000 0.938 266 N CB 1.606 40.102 38.487 0.014 0.000 1.131 266 N HN 0.524 nan 8.380 nan 0.000 0.505 267 T N -0.356 114.171 114.554 -0.046 0.000 2.875 267 T HA 0.576 4.926 4.350 -0.000 0.000 0.284 267 T C -0.633 174.003 174.700 -0.107 0.000 0.995 267 T CA -0.443 61.706 62.100 0.081 0.000 1.060 267 T CB 0.748 69.723 68.868 0.179 0.000 0.967 267 T HN 0.194 nan 8.240 nan 0.000 0.476 268 Y N 0.278 120.686 120.300 0.180 0.000 2.391 268 Y HA 0.569 5.119 4.550 -0.000 0.000 0.341 268 Y C 0.051 176.043 175.900 0.154 0.000 0.965 268 Y CA -1.003 57.161 58.100 0.107 0.000 1.067 268 Y CB 2.495 40.980 38.460 0.042 0.000 1.199 268 Y HN 0.747 nan 8.280 nan 0.000 0.450 269 S N 5.139 121.011 115.700 0.286 0.000 2.605 269 S HA 0.665 5.135 4.470 -0.000 0.000 0.308 269 S C -0.719 174.103 174.600 0.370 0.000 1.113 269 S CA -0.684 57.709 58.200 0.321 0.000 1.049 269 S CB 0.952 64.427 63.200 0.459 0.000 1.001 269 S HN 0.546 nan 8.310 nan 0.000 0.480 270 I N -0.237 120.481 120.570 0.247 0.000 3.100 270 I HA 1.069 5.239 4.170 -0.000 0.000 0.312 270 I C 0.290 176.500 176.117 0.154 0.000 1.063 270 I CA -0.893 60.559 61.300 0.255 0.000 1.031 270 I CB 0.947 39.022 38.000 0.125 0.000 1.243 270 I HN 0.780 nan 8.210 nan 0.000 0.483 271 G N 0.937 109.856 108.800 0.200 0.000 2.320 271 G HA2 0.462 4.422 3.960 -0.000 0.000 0.297 271 G HA3 0.462 4.422 3.960 -0.000 0.000 0.297 271 G C -1.011 173.991 174.900 0.170 0.000 1.344 271 G CA -0.038 45.101 45.100 0.065 0.000 0.851 271 G HN 1.121 nan 8.290 nan 0.000 0.567 272 T N -2.367 112.244 114.554 0.095 0.000 2.905 272 T HA 0.628 4.978 4.350 -0.000 0.000 0.283 272 T C 0.804 175.583 174.700 0.131 0.000 1.031 272 T CA -0.088 62.078 62.100 0.111 0.000 1.002 272 T CB 2.145 71.049 68.868 0.060 0.000 1.200 272 T HN 0.354 nan 8.240 nan 0.000 0.560 273 E N -0.278 119.989 120.200 0.111 0.000 2.219 273 E HA -0.075 4.275 4.350 -0.000 0.000 0.198 273 E C 0.733 177.385 176.600 0.087 0.000 0.998 273 E CA 1.026 57.491 56.400 0.108 0.000 0.818 273 E CB -0.487 29.257 29.700 0.073 0.000 0.741 273 E HN 0.575 nan 8.360 nan 0.000 0.477 274 L N -3.288 117.969 121.223 0.057 0.000 2.301 274 L HA 0.425 4.765 4.340 -0.000 0.000 0.264 274 L C 0.834 177.708 176.870 0.007 0.000 1.016 274 L CA -0.393 54.468 54.840 0.035 0.000 0.821 274 L CB 1.289 43.364 42.059 0.027 0.000 1.346 274 L HN -0.047 nan 8.230 nan 0.000 0.429 275 S N -1.226 114.471 115.700 -0.005 0.000 3.011 275 S HA -0.302 4.168 4.470 -0.000 0.000 0.278 275 S C 0.246 174.796 174.600 -0.084 0.000 1.300 275 S CA 1.144 59.324 58.200 -0.034 0.000 1.248 275 S CB -3.033 60.147 63.200 -0.034 0.000 1.517 275 S HN 1.451 nan 8.310 nan 0.000 0.685 276 N N 0.571 119.205 118.700 -0.110 0.000 2.381 276 N HA 0.538 5.278 4.740 -0.000 0.000 0.254 276 N C -0.132 175.219 175.510 -0.266 0.000 1.264 276 N CA -0.200 52.669 53.050 -0.303 0.000 0.942 276 N CB 0.401 38.630 38.487 -0.430 0.000 1.190 276 N HN 0.301 nan 8.380 nan 0.000 0.495 277 E N -0.666 119.282 120.200 -0.420 0.000 4.230 277 E HA 0.279 4.629 4.350 -0.000 0.000 0.218 277 E C -0.791 175.791 176.600 -0.031 0.000 1.140 277 E CA -0.318 56.021 56.400 -0.102 0.000 1.405 277 E CB -0.597 29.063 29.700 -0.066 0.000 1.193 277 E HN 0.624 nan 8.360 nan 0.000 0.423 278 F N 0.271 120.321 119.950 0.167 0.000 2.293 278 F HA -0.076 4.451 4.527 -0.000 0.000 0.300 278 F C 1.922 177.813 175.800 0.151 0.000 1.086 278 F CA 0.894 58.989 58.000 0.158 0.000 1.375 278 F CB 0.179 39.245 39.000 0.110 0.000 1.045 278 F HN 0.238 nan 8.300 nan 0.000 0.516 279 E N 0.192 120.564 120.200 0.287 0.000 2.031 279 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 279 E C 2.059 178.679 176.600 0.034 0.000 0.994 279 E CA 1.537 58.001 56.400 0.106 0.000 0.800 279 E CB -0.440 29.250 29.700 -0.016 0.000 0.752 279 E HN 0.350 nan 8.360 nan 0.000 0.447 280 F N 1.416 121.409 119.950 0.072 0.000 2.126 280 F HA -0.223 4.304 4.527 -0.000 0.000 0.299 280 F C 2.764 178.582 175.800 0.030 0.000 1.096 280 F CA 1.155 59.187 58.000 0.054 0.000 1.255 280 F CB -0.374 38.662 39.000 0.059 0.000 0.997 280 F HN -0.085 nan 8.300 nan 0.000 0.479 281 S N -0.485 115.352 115.700 0.229 0.000 2.353 281 S HA -0.315 4.155 4.470 -0.000 0.000 0.222 281 S C 1.939 176.485 174.600 -0.090 0.000 1.035 281 S CA 1.571 59.826 58.200 0.092 0.000 1.025 281 S CB -0.544 62.780 63.200 0.208 0.000 0.902 281 S HN 0.334 nan 8.310 nan 0.000 0.440 282 Q N 1.336 121.149 119.800 0.023 0.000 2.181 282 Q HA -0.128 4.212 4.340 -0.000 0.000 0.205 282 Q C 2.115 178.081 176.000 -0.058 0.000 0.980 282 Q CA 1.619 57.411 55.803 -0.019 0.000 0.862 282 Q CB -0.343 28.467 28.738 0.119 0.000 0.905 282 Q HN 0.598 nan 8.270 nan 0.000 0.429 283 Q N -0.971 118.810 119.800 -0.032 0.000 2.016 283 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 283 Q C 2.015 177.994 176.000 -0.035 0.000 0.978 283 Q CA 1.854 57.634 55.803 -0.038 0.000 0.833 283 Q CB -0.005 28.702 28.738 -0.051 0.000 0.895 283 Q HN 0.375 nan 8.270 nan 0.000 0.427 284 V N 1.120 121.020 119.914 -0.023 0.000 2.287 284 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 284 V C 2.399 178.450 176.094 -0.071 0.000 1.053 284 V CA 1.926 64.212 62.300 -0.024 0.000 1.027 284 V CB -1.152 30.670 31.823 -0.002 0.000 0.646 284 V HN 0.500 nan 8.190 nan 0.000 0.447 285 A N -0.095 122.625 122.820 -0.167 0.000 1.917 285 A HA -0.291 4.028 4.320 -0.000 0.000 0.219 285 A C 1.971 179.503 177.584 -0.087 0.000 1.182 285 A CA 2.249 54.169 52.037 -0.195 0.000 0.633 285 A CB -0.671 18.046 19.000 -0.472 0.000 0.819 285 A HN 0.567 nan 8.150 nan 0.000 0.448 286 D N -0.149 120.209 120.400 -0.069 0.000 2.144 286 D HA 0.001 4.641 4.640 -0.000 0.000 0.200 286 D C 2.219 178.505 176.300 -0.023 0.000 0.978 286 D CA 1.463 55.443 54.000 -0.034 0.000 0.833 286 D CB -0.426 40.357 40.800 -0.029 0.000 0.961 286 D HN 0.437 nan 8.370 nan 0.000 0.470 287 A N 0.366 123.173 122.820 -0.022 0.000 1.898 287 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 287 A C 2.193 179.774 177.584 -0.006 0.000 1.181 287 A CA 0.807 52.837 52.037 -0.011 0.000 0.620 287 A CB -0.553 18.444 19.000 -0.006 0.000 0.819 287 A HN 0.220 nan 8.150 nan 0.000 0.442 288 L N -0.979 120.240 121.223 -0.006 0.000 2.558 288 L HA 0.207 4.547 4.340 -0.000 0.000 0.225 288 L C 1.417 178.294 176.870 0.011 0.000 1.128 288 L CA 0.369 55.213 54.840 0.006 0.000 0.868 288 L CB -0.315 41.752 42.059 0.013 0.000 1.006 288 L HN 0.548 nan 8.230 nan 0.000 0.454 289 G N 1.932 110.733 108.800 0.002 0.000 2.350 289 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.298 289 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.298 289 G C 0.324 175.240 174.900 0.026 0.000 1.037 289 G CA 0.519 45.625 45.100 0.010 0.000 1.074 289 G HN 0.417 nan 8.290 nan 0.000 0.511 290 T N -2.344 112.224 114.554 0.023 0.000 2.918 290 T HA 0.499 4.849 4.350 -0.000 0.000 0.283 290 T C 0.456 175.205 174.700 0.082 0.000 1.001 290 T CA -0.573 61.560 62.100 0.055 0.000 1.041 290 T CB 1.613 70.505 68.868 0.040 0.000 1.028 290 T HN 0.495 nan 8.240 nan 0.000 0.511 291 H N 2.135 121.208 119.070 0.005 0.000 3.330 291 H HA 0.135 4.691 4.556 -0.000 0.000 0.260 291 H C -0.680 174.633 175.328 -0.025 0.000 1.439 291 H CA 0.015 56.056 56.048 -0.011 0.000 1.540 291 H CB -0.898 28.845 29.762 -0.031 0.000 1.698 291 H HN 0.705 nan 8.280 nan 0.000 0.516 292 H N 4.040 123.004 119.070 -0.177 0.000 2.458 292 H HA 0.260 4.816 4.556 -0.000 0.000 0.330 292 H C -0.572 174.632 175.328 -0.207 0.000 1.111 292 H CA -0.441 55.514 56.048 -0.154 0.000 1.245 292 H CB 0.767 30.479 29.762 -0.083 0.000 1.456 292 H HN 0.700 nan 8.280 nan 0.000 0.488 293 Q N 5.107 124.477 119.800 -0.717 0.000 2.315 293 Q HA 0.370 4.710 4.340 -0.000 0.000 0.273 293 Q C -1.210 174.529 176.000 -0.435 0.000 1.053 293 Q CA -1.117 54.357 55.803 -0.549 0.000 0.817 293 Q CB 2.674 31.261 28.738 -0.252 0.000 1.326 293 Q HN 0.657 nan 8.270 nan 0.000 0.423 294 M N 0.629 120.015 119.600 -0.357 0.000 2.598 294 M HA 0.740 5.220 4.480 -0.000 0.000 0.317 294 M C -1.021 175.174 176.300 -0.175 0.000 1.201 294 M CA -0.710 54.483 55.300 -0.177 0.000 0.971 294 M CB 2.322 34.755 32.600 -0.278 0.000 1.657 294 M HN 0.693 nan 8.290 nan 0.000 0.470 295 K N 2.284 122.640 120.400 -0.073 0.000 2.561 295 K HA 0.468 4.788 4.320 -0.000 0.000 0.254 295 K C -2.245 174.394 176.600 0.065 0.000 0.942 295 K CA -0.594 55.661 56.287 -0.053 0.000 0.818 295 K CB 2.679 35.194 32.500 0.025 0.000 1.306 295 K HN 1.000 nan 8.250 nan 0.000 0.435 296 I N 6.362 126.940 120.570 0.014 0.000 2.352 296 I HA 0.254 4.424 4.170 -0.000 0.000 0.290 296 I C -0.816 175.364 176.117 0.104 0.000 1.036 296 I CA -0.711 60.672 61.300 0.138 0.000 1.336 296 I CB 0.437 38.489 38.000 0.088 0.000 1.407 296 I HN 0.594 nan 8.210 nan 0.000 0.497 297 L N 6.888 128.186 121.223 0.124 0.000 2.418 297 L HA 0.359 4.699 4.340 -0.000 0.000 0.265 297 L C 0.640 177.553 176.870 0.072 0.000 1.143 297 L CA -0.449 54.444 54.840 0.088 0.000 0.809 297 L CB 1.319 43.429 42.059 0.086 0.000 1.124 297 L HN 0.678 nan 8.230 nan 0.000 0.456 298 S N -0.402 115.334 115.700 0.060 0.000 2.672 298 S HA 0.157 4.627 4.470 -0.000 0.000 0.276 298 S C 0.745 175.375 174.600 0.049 0.000 1.207 298 S CA -0.669 57.561 58.200 0.050 0.000 1.002 298 S CB 1.634 64.860 63.200 0.044 0.000 0.998 298 S HN 0.745 nan 8.310 nan 0.000 0.542 299 E N 0.862 121.086 120.200 0.040 0.000 2.118 299 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 299 E C 1.453 178.077 176.600 0.040 0.000 0.992 299 E CA 1.773 58.194 56.400 0.034 0.000 0.804 299 E CB -0.475 29.238 29.700 0.022 0.000 0.741 299 E HN 0.816 nan 8.360 nan 0.000 0.458 300 T N 0.477 115.057 114.554 0.042 0.000 2.821 300 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 300 T C 1.446 176.186 174.700 0.067 0.000 1.046 300 T CA 1.385 63.516 62.100 0.051 0.000 1.139 300 T CB -0.149 68.748 68.868 0.047 0.000 0.871 300 T HN 0.285 nan 8.240 nan 0.000 0.454 301 E N 0.308 120.548 120.200 0.067 0.000 2.106 301 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 301 E C 2.319 178.968 176.600 0.082 0.000 0.984 301 E CA 0.644 57.091 56.400 0.078 0.000 0.806 301 E CB -0.100 29.643 29.700 0.073 0.000 0.750 301 E HN 0.232 nan 8.360 nan 0.000 0.458 302 V N 1.049 121.006 119.914 0.071 0.000 2.307 302 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 302 V C 2.127 178.270 176.094 0.081 0.000 1.045 302 V CA 1.354 63.695 62.300 0.069 0.000 1.024 302 V CB -0.258 31.597 31.823 0.053 0.000 0.651 302 V HN 0.202 nan 8.190 nan 0.000 0.449 303 I N 0.661 121.281 120.570 0.083 0.000 2.226 303 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 303 I C 2.236 178.434 176.117 0.135 0.000 1.100 303 I CA 1.648 63.014 61.300 0.110 0.000 1.374 303 I CB -0.825 37.231 38.000 0.094 0.000 1.057 303 I HN 0.372 nan 8.210 nan 0.000 0.413 304 N N 0.562 119.335 118.700 0.122 0.000 2.149 304 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 304 N C 2.030 177.621 175.510 0.136 0.000 1.019 304 N CA 1.616 54.747 53.050 0.135 0.000 0.857 304 N CB -0.460 38.105 38.487 0.130 0.000 0.997 304 N HN 0.342 nan 8.380 nan 0.000 0.426 305 G N 0.297 109.173 108.800 0.127 0.000 2.422 305 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.218 305 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.218 305 G C 1.561 176.493 174.900 0.054 0.000 1.146 305 G CA 0.705 45.883 45.100 0.130 0.000 0.769 305 G HN 0.346 nan 8.290 nan 0.000 0.547 306 I N 1.164 121.779 120.570 0.076 0.000 2.090 306 I HA -0.154 4.016 4.170 -0.000 0.000 0.236 306 I C 2.738 178.882 176.117 0.045 0.000 1.064 306 I CA 1.466 62.804 61.300 0.064 0.000 1.324 306 I CB -0.360 37.720 38.000 0.133 0.000 1.044 306 I HN 0.313 nan 8.210 nan 0.000 0.399 307 I N -0.639 120.004 120.570 0.121 0.000 2.335 307 I HA -0.235 3.935 4.170 -0.000 0.000 0.251 307 I C 2.139 178.306 176.117 0.083 0.000 1.129 307 I CA 1.697 63.098 61.300 0.168 0.000 1.402 307 I CB -0.728 37.430 38.000 0.264 0.000 1.069 307 I HN 0.208 nan 8.210 nan 0.000 0.424 308 E N 1.358 121.561 120.200 0.004 0.000 2.106 308 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 308 E C 2.396 178.809 176.600 -0.311 0.000 0.984 308 E CA 1.596 57.979 56.400 -0.028 0.000 0.806 308 E CB -0.165 29.634 29.700 0.165 0.000 0.750 308 E HN 0.812 nan 8.360 nan 0.000 0.458 309 S N 0.800 116.086 115.700 -0.689 0.000 2.383 309 S HA -0.099 4.371 4.470 -0.000 0.000 0.227 309 S C 2.062 176.528 174.600 -0.225 0.000 1.026 309 S CA 0.522 58.181 58.200 -0.901 0.000 0.981 309 S CB -0.394 62.441 63.200 -0.608 0.000 0.818 309 S HN 0.154 nan 8.310 nan 0.000 0.472 310 I N 0.177 120.696 120.570 -0.085 0.000 2.179 310 I HA -0.126 4.044 4.170 -0.000 0.000 0.242 310 I C 2.566 178.715 176.117 0.053 0.000 1.088 310 I CA 1.821 63.169 61.300 0.080 0.000 1.357 310 I CB -0.448 37.658 38.000 0.178 0.000 1.051 310 I HN 0.325 nan 8.210 nan 0.000 0.409 311 Y N 0.884 121.003 120.300 -0.302 0.000 2.109 311 Y HA -0.308 4.242 4.550 -0.000 0.000 0.285 311 Y C 2.454 178.136 175.900 -0.364 0.000 1.131 311 Y CA 1.581 59.288 58.100 -0.656 0.000 1.121 311 Y CB -0.722 36.856 38.460 -1.471 0.000 0.987 311 Y HN 0.023 nan 8.280 nan 0.000 0.495 312 Y N 0.463 120.631 120.300 -0.220 0.000 2.181 312 Y HA -0.178 4.372 4.550 -0.000 0.000 0.288 312 Y C 1.776 177.690 175.900 0.023 0.000 1.146 312 Y CA 1.889 59.921 58.100 -0.114 0.000 1.164 312 Y CB -0.461 38.158 38.460 0.266 0.000 0.982 312 Y HN 0.206 nan 8.280 nan 0.000 0.515 313 N N 0.188 119.051 118.700 0.272 0.000 2.235 313 N HA 0.018 4.758 4.740 -0.000 0.000 0.209 313 N C -0.707 174.928 175.510 0.208 0.000 1.122 313 N CA 0.216 53.456 53.050 0.317 0.000 0.845 313 N CB -0.220 38.467 38.487 0.333 0.000 1.004 313 N HN 0.301 nan 8.380 nan 0.000 0.499 314 E N 0.699 120.974 120.200 0.125 0.000 2.197 314 E HA -0.219 4.131 4.350 -0.000 0.000 0.184 314 E C -0.598 176.243 176.600 0.402 0.000 1.439 314 E CA 0.481 57.037 56.400 0.261 0.000 0.688 314 E CB -1.551 28.268 29.700 0.197 0.000 1.090 314 E HN 0.462 nan 8.360 nan 0.000 0.341 315 I N 1.601 122.322 120.570 0.251 0.000 2.336 315 I HA 0.145 4.315 4.170 -0.000 0.000 0.292 315 I C 1.120 177.222 176.117 -0.025 0.000 0.991 315 I CA -0.640 60.659 61.300 -0.001 0.000 1.227 315 I CB 0.384 38.349 38.000 -0.057 0.000 1.366 315 I HN 0.200 nan 8.210 nan 0.000 0.466 316 F N 1.850 121.670 119.950 -0.217 0.000 2.704 316 F HA 0.346 4.873 4.527 -0.000 0.000 0.304 316 F C 0.486 176.240 175.800 -0.076 0.000 1.094 316 F CA -0.901 56.868 58.000 -0.385 0.000 1.275 316 F CB -0.407 38.016 39.000 -0.962 0.000 1.073 316 F HN 0.290 nan 8.300 nan 0.000 0.586 317 D N 1.168 121.417 120.400 -0.251 0.000 2.295 317 D HA 0.351 4.991 4.640 -0.000 0.000 0.248 317 D C 1.598 177.896 176.300 -0.004 0.000 1.154 317 D CA 0.157 54.135 54.000 -0.037 0.000 0.857 317 D CB 1.733 42.449 40.800 -0.141 0.000 1.117 317 D HN 0.178 nan 8.370 nan 0.000 0.468 318 G N 3.278 112.121 108.800 0.073 0.000 2.446 318 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 318 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 318 G C 1.294 176.216 174.900 0.037 0.000 1.168 318 G CA 0.597 45.744 45.100 0.079 0.000 0.771 318 G HN 0.526 nan 8.290 nan 0.000 0.551 319 L N 1.227 122.458 121.223 0.013 0.000 2.012 319 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 319 L C 2.977 179.813 176.870 -0.057 0.000 1.073 319 L CA 2.490 57.319 54.840 -0.018 0.000 0.748 319 L CB -0.758 41.285 42.059 -0.027 0.000 0.891 319 L HN 0.190 nan 8.230 nan 0.000 0.431 320 S N -0.227 115.407 115.700 -0.109 0.000 2.368 320 S HA -0.153 4.317 4.470 -0.000 0.000 0.225 320 S C 2.064 176.620 174.600 -0.074 0.000 1.030 320 S CA 1.130 59.244 58.200 -0.143 0.000 0.999 320 S CB -0.668 62.377 63.200 -0.259 0.000 0.844 320 S HN 0.658 nan 8.310 nan 0.000 0.459 321 A N 1.142 123.934 122.820 -0.048 0.000 1.969 321 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 321 A C 2.010 179.607 177.584 0.023 0.000 1.169 321 A CA 1.530 53.562 52.037 -0.008 0.000 0.635 321 A CB -0.485 18.526 19.000 0.018 0.000 0.810 321 A HN 0.589 nan 8.150 nan 0.000 0.445 322 E N -0.110 120.104 120.200 0.024 0.000 2.047 322 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 322 E C 1.804 178.415 176.600 0.018 0.000 0.987 322 E CA 1.226 57.645 56.400 0.032 0.000 0.799 322 E CB -0.189 29.526 29.700 0.025 0.000 0.752 322 E HN 0.677 nan 8.360 nan 0.000 0.449 323 I N 1.009 121.578 120.570 -0.002 0.000 2.315 323 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 323 I C 2.385 178.531 176.117 0.048 0.000 1.117 323 I CA 0.700 61.995 61.300 -0.009 0.000 1.404 323 I CB -0.214 37.756 38.000 -0.050 0.000 1.071 323 I HN 0.141 nan 8.210 nan 0.000 0.419 324 Q N 0.112 119.962 119.800 0.084 0.000 2.291 324 Q HA -0.158 4.182 4.340 -0.000 0.000 0.205 324 Q C 2.300 178.427 176.000 0.211 0.000 0.970 324 Q CA 1.193 57.106 55.803 0.184 0.000 0.876 324 Q CB -0.396 28.474 28.738 0.221 0.000 0.935 324 Q HN 0.446 nan 8.270 nan 0.000 0.455 325 S N 0.509 116.278 115.700 0.115 0.000 2.369 325 S HA -0.205 4.265 4.470 -0.000 0.000 0.225 325 S C 1.985 176.638 174.600 0.088 0.000 1.043 325 S CA 1.844 60.107 58.200 0.106 0.000 1.074 325 S CB -0.516 62.726 63.200 0.070 0.000 0.962 325 S HN 0.568 nan 8.310 nan 0.000 0.433 326 G N 1.379 110.202 108.800 0.039 0.000 2.446 326 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.217 326 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.217 326 G C 1.512 176.365 174.900 -0.078 0.000 1.168 326 G CA 0.967 46.063 45.100 -0.005 0.000 0.771 326 G HN 0.506 nan 8.290 nan 0.000 0.551 327 L N -0.849 120.306 121.223 -0.114 0.000 1.970 327 L HA -0.054 4.286 4.340 -0.000 0.000 0.212 327 L C 2.770 179.176 176.870 -0.774 0.000 1.071 327 L CA 1.439 56.040 54.840 -0.398 0.000 0.751 327 L CB -0.325 41.535 42.059 -0.333 0.000 0.889 327 L HN 0.237 nan 8.230 nan 0.000 0.432 328 F N 0.016 119.663 119.950 -0.506 0.000 2.250 328 F HA -0.262 4.265 4.527 -0.000 0.000 0.301 328 F C 2.455 178.094 175.800 -0.269 0.000 1.077 328 F CA 1.321 59.115 58.000 -0.343 0.000 1.348 328 F CB -0.401 38.623 39.000 0.040 0.000 1.040 328 F HN 0.246 nan 8.300 nan 0.000 0.509 329 N N -0.127 118.538 118.700 -0.060 0.000 2.331 329 N HA -0.093 4.647 4.740 -0.000 0.000 0.180 329 N C 2.007 177.424 175.510 -0.156 0.000 1.019 329 N CA 0.926 53.946 53.050 -0.049 0.000 0.881 329 N CB -0.062 38.432 38.487 0.011 0.000 0.972 329 N HN 0.141 nan 8.380 nan 0.000 0.435 330 V N 0.979 120.731 119.914 -0.271 0.000 2.453 330 V HA -0.189 3.931 4.120 -0.000 0.000 0.247 330 V C 1.803 177.665 176.094 -0.386 0.000 1.048 330 V CA 1.171 63.292 62.300 -0.297 0.000 1.049 330 V CB -0.679 30.964 31.823 -0.300 0.000 0.672 330 V HN 0.177 nan 8.190 nan 0.000 0.457 331 Y N 0.765 120.773 120.300 -0.486 0.000 2.128 331 Y HA -0.242 4.308 4.550 -0.000 0.000 0.284 331 Y C 2.673 178.076 175.900 -0.827 0.000 1.154 331 Y CA 1.733 59.406 58.100 -0.712 0.000 1.149 331 Y CB -0.964 36.929 38.460 -0.945 0.000 0.976 331 Y HN 0.167 nan 8.280 nan 0.000 0.505 332 R N 0.095 120.220 120.500 -0.624 0.000 2.083 332 R HA -0.191 4.149 4.340 -0.000 0.000 0.237 332 R C 2.040 178.244 176.300 -0.161 0.000 1.137 332 R CA 1.679 57.558 56.100 -0.368 0.000 0.951 332 R CB -0.068 30.160 30.300 -0.120 0.000 0.851 332 R HN 0.277 nan 8.270 nan 0.000 0.434 333 Q N -0.494 119.214 119.800 -0.154 0.000 2.224 333 Q HA -0.049 4.291 4.340 -0.000 0.000 0.203 333 Q C 1.659 177.590 176.000 -0.114 0.000 0.970 333 Q CA 1.465 57.233 55.803 -0.058 0.000 0.865 333 Q CB 0.129 28.883 28.738 0.027 0.000 0.922 333 Q HN 0.464 nan 8.270 nan 0.000 0.445 334 A N 0.316 122.905 122.820 -0.386 0.000 2.220 334 A HA -0.006 4.314 4.320 -0.000 0.000 0.211 334 A C 1.080 178.565 177.584 -0.166 0.000 1.176 334 A CA -0.231 51.525 52.037 -0.468 0.000 0.834 334 A CB -0.087 18.365 19.000 -0.913 0.000 0.868 334 A HN 0.318 nan 8.150 nan 0.000 0.488 335 Q N -0.132 119.602 119.800 -0.110 0.000 2.308 335 Q HA 0.256 4.596 4.340 -0.000 0.000 0.313 335 Q C 1.179 177.200 176.000 0.036 0.000 1.075 335 Q CA 1.119 56.929 55.803 0.011 0.000 0.995 335 Q CB -0.072 28.745 28.738 0.132 0.000 1.107 335 Q HN 0.979 nan 8.270 nan 0.000 0.380 336 G N 3.046 111.868 108.800 0.038 0.000 2.205 336 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.261 336 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.261 336 G C 0.653 175.573 174.900 0.034 0.000 0.980 336 G CA 0.636 45.761 45.100 0.042 0.000 0.632 336 G HN 0.710 nan 8.290 nan 0.000 0.533 337 Q N -0.707 119.110 119.800 0.028 0.000 2.394 337 Q HA 0.417 4.757 4.340 -0.000 0.000 0.218 337 Q C 1.141 177.154 176.000 0.021 0.000 0.907 337 Q CA 1.314 57.139 55.803 0.036 0.000 0.919 337 Q CB 1.091 29.886 28.738 0.095 0.000 1.051 337 Q HN 1.063 nan 8.270 nan 0.000 0.538 338 V N -3.577 116.333 119.914 -0.005 0.000 3.078 338 V HA 0.522 4.642 4.120 -0.000 0.000 0.311 338 V C -0.040 176.011 176.094 -0.072 0.000 1.138 338 V CA -0.739 61.536 62.300 -0.043 0.000 1.007 338 V CB 2.189 33.971 31.823 -0.069 0.000 1.045 338 V HN -0.099 nan 8.190 nan 0.000 0.432 339 S N 0.179 115.815 115.700 -0.106 0.000 2.578 339 S HA 0.320 4.790 4.470 -0.000 0.000 0.228 339 S C 0.049 174.442 174.600 -0.345 0.000 1.022 339 S CA 0.427 58.572 58.200 -0.090 0.000 0.967 339 S CB 0.455 63.750 63.200 0.159 0.000 0.914 339 S HN 1.063 nan 8.310 nan 0.000 0.515 340 C N 1.980 120.934 119.300 -0.575 0.000 2.608 340 C HA 0.791 5.251 4.460 -0.000 0.000 0.325 340 C C -0.938 173.756 174.990 -0.494 0.000 1.147 340 C CA -0.647 57.915 59.018 -0.761 0.000 1.359 340 C CB 0.633 27.447 27.740 -1.544 0.000 1.912 340 C HN 0.540 nan 8.230 nan 0.000 0.466 341 M N 6.285 125.660 119.600 -0.376 0.000 2.393 341 M HA 0.701 5.181 4.480 -0.000 0.000 0.299 341 M C -1.865 174.293 176.300 -0.237 0.000 1.103 341 M CA -0.527 54.622 55.300 -0.251 0.000 0.910 341 M CB 1.567 34.080 32.600 -0.146 0.000 1.659 341 M HN 0.677 nan 8.290 nan 0.000 0.445 342 L N 3.219 124.344 121.223 -0.163 0.000 2.346 342 L HA 0.755 5.095 4.340 -0.000 0.000 0.276 342 L C 0.016 176.905 176.870 0.033 0.000 1.006 342 L CA -0.597 54.187 54.840 -0.093 0.000 0.817 342 L CB 2.144 44.157 42.059 -0.077 0.000 1.272 342 L HN 0.814 nan 8.230 nan 0.000 0.421 343 T N -1.921 112.717 114.554 0.141 0.000 2.858 343 T HA 0.545 4.895 4.350 -0.000 0.000 0.285 343 T C 0.557 175.475 174.700 0.364 0.000 1.052 343 T CA -0.122 62.134 62.100 0.260 0.000 1.009 343 T CB 1.831 70.931 68.868 0.387 0.000 1.241 343 T HN 0.598 nan 8.240 nan 0.000 0.542 344 G N -0.669 108.314 108.800 0.304 0.000 3.502 344 G HA2 0.205 4.165 3.960 -0.000 0.000 0.267 344 G HA3 0.205 4.165 3.960 -0.000 0.000 0.267 344 G C -0.249 174.729 174.900 0.129 0.000 1.090 344 G CA -0.393 44.873 45.100 0.277 0.000 0.795 344 G HN 0.671 nan 8.290 nan 0.000 0.535 345 Y N 1.061 121.440 120.300 0.131 0.000 2.717 345 Y HA 0.316 4.866 4.550 -0.000 0.000 0.330 345 Y C 1.581 177.497 175.900 0.027 0.000 1.217 345 Y CA 1.618 59.699 58.100 -0.032 0.000 1.506 345 Y CB 0.976 39.324 38.460 -0.187 0.000 1.268 345 Y HN 0.291 nan 8.280 nan 0.000 0.561 346 G N 2.107 110.904 108.800 -0.005 0.000 2.317 346 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.227 346 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.227 346 G C 1.488 176.513 174.900 0.209 0.000 1.042 346 G CA 0.788 46.025 45.100 0.227 0.000 0.623 346 G HN 0.838 nan 8.290 nan 0.000 0.509 347 S N 0.637 116.211 115.700 -0.211 0.000 2.372 347 S HA -0.205 4.265 4.470 -0.000 0.000 0.227 347 S C 1.926 176.493 174.600 -0.056 0.000 1.044 347 S CA 2.375 60.285 58.200 -0.482 0.000 1.050 347 S CB -0.429 62.026 63.200 -1.242 0.000 0.901 347 S HN 0.509 nan 8.310 nan 0.000 0.447 348 D N 0.955 121.283 120.400 -0.120 0.000 2.182 348 D HA -0.062 4.578 4.640 -0.000 0.000 0.201 348 D C 1.831 178.139 176.300 0.012 0.000 0.986 348 D CA 1.032 54.994 54.000 -0.062 0.000 0.847 348 D CB -0.272 40.444 40.800 -0.139 0.000 0.942 348 D HN 0.472 nan 8.370 nan 0.000 0.467 349 L N -0.211 121.053 121.223 0.067 0.000 2.341 349 L HA 0.027 4.367 4.340 -0.000 0.000 0.214 349 L C 2.313 179.237 176.870 0.090 0.000 1.115 349 L CA 0.322 55.231 54.840 0.116 0.000 0.820 349 L CB -0.143 42.068 42.059 0.252 0.000 0.944 349 L HN 0.005 nan 8.230 nan 0.000 0.452 350 L N -1.535 119.726 121.223 0.065 0.000 2.168 350 L HA 0.012 4.352 4.340 -0.000 0.000 0.203 350 L C 1.620 178.293 176.870 -0.329 0.000 1.078 350 L CA 0.886 55.622 54.840 -0.173 0.000 0.780 350 L CB -0.167 41.719 42.059 -0.288 0.000 0.939 350 L HN 0.118 nan 8.230 nan 0.000 0.451 351 F N -0.073 119.907 119.950 0.050 0.000 2.664 351 F HA 0.349 4.876 4.527 -0.000 0.000 0.303 351 F C 1.505 177.324 175.800 0.031 0.000 1.092 351 F CA 0.310 58.342 58.000 0.053 0.000 1.305 351 F CB 0.285 39.325 39.000 0.065 0.000 1.054 351 F HN 0.128 nan 8.300 nan 0.000 0.565 352 G N 0.302 109.176 108.800 0.123 0.000 2.132 352 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.228 352 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.228 352 G C 1.428 176.354 174.900 0.043 0.000 1.000 352 G CA 0.126 45.262 45.100 0.059 0.000 0.693 352 G HN 0.619 nan 8.290 nan 0.000 0.515 353 G N 0.845 109.665 108.800 0.034 0.000 2.462 353 G HA2 0.034 3.994 3.960 -0.000 0.000 0.220 353 G HA3 0.034 3.994 3.960 -0.000 0.000 0.220 353 G C 1.703 176.578 174.900 -0.042 0.000 1.121 353 G CA 1.422 46.507 45.100 -0.025 0.000 0.758 353 G HN 1.402 nan 8.290 nan 0.000 0.559 354 I N -1.560 118.987 120.570 -0.038 0.000 3.684 354 I HA 0.353 4.523 4.170 -0.000 0.000 0.304 354 I C 0.513 176.624 176.117 -0.009 0.000 1.278 354 I CA -0.324 60.952 61.300 -0.039 0.000 1.272 354 I CB -0.119 37.852 38.000 -0.050 0.000 1.029 354 I HN -0.103 nan 8.210 nan 0.000 0.458 355 L N 1.621 122.845 121.223 0.001 0.000 2.439 355 L HA 0.374 4.714 4.340 -0.000 0.000 0.261 355 L C 0.470 177.430 176.870 0.150 0.000 1.153 355 L CA -0.414 54.464 54.840 0.064 0.000 0.808 355 L CB 0.469 42.540 42.059 0.020 0.000 1.126 355 L HN 0.056 nan 8.230 nan 0.000 0.460 356 K N 1.973 122.534 120.400 0.268 0.000 2.234 356 K HA 0.352 4.672 4.320 -0.000 0.000 0.277 356 K C -2.342 174.352 176.600 0.158 0.000 1.038 356 K CA -1.701 54.688 56.287 0.169 0.000 0.888 356 K CB 1.477 34.051 32.500 0.124 0.000 1.091 356 K HN 0.207 nan 8.250 nan 0.000 0.467 357 P HA -0.050 nan 4.420 nan 0.000 0.267 357 P C 0.684 178.028 177.300 0.073 0.000 1.200 357 P CA 0.675 63.840 63.100 0.109 0.000 0.772 357 P CB 0.561 32.326 31.700 0.108 0.000 0.855 358 G N 1.133 109.971 108.800 0.064 0.000 2.302 358 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.263 358 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.263 358 G C 0.561 175.459 174.900 -0.005 0.000 0.995 358 G CA 0.255 45.369 45.100 0.024 0.000 0.622 358 G HN 0.879 nan 8.290 nan 0.000 0.538 359 A N -0.127 122.681 122.820 -0.021 0.000 2.366 359 A HA 0.627 4.947 4.320 -0.000 0.000 0.249 359 A C 0.541 178.018 177.584 -0.180 0.000 1.084 359 A CA 0.458 52.404 52.037 -0.152 0.000 0.794 359 A CB 0.591 19.426 19.000 -0.276 0.000 1.034 359 A HN 0.431 nan 8.150 nan 0.000 0.491 360 Q N 0.338 119.976 119.800 -0.270 0.000 2.307 360 Q HA 0.480 4.820 4.340 -0.000 0.000 0.262 360 Q C -2.136 173.691 176.000 -0.288 0.000 0.961 360 Q CA -0.118 55.588 55.803 -0.162 0.000 0.882 360 Q CB 1.165 29.853 28.738 -0.083 0.000 1.264 360 Q HN 0.626 nan 8.270 nan 0.000 0.446 361 Y N 1.956 122.271 120.300 0.025 0.000 2.376 361 Y HA 0.205 4.755 4.550 -0.000 0.000 0.340 361 Y C 1.006 176.911 175.900 0.008 0.000 0.965 361 Y CA -0.770 57.340 58.100 0.016 0.000 1.078 361 Y CB 1.732 40.202 38.460 0.017 0.000 1.193 361 Y HN 0.577 nan 8.280 nan 0.000 0.452 362 D N 0.931 121.434 120.400 0.172 0.000 2.117 362 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 362 D C 0.215 176.557 176.300 0.070 0.000 0.987 362 D CA 1.625 55.678 54.000 0.090 0.000 0.829 362 D CB 0.358 41.196 40.800 0.064 0.000 0.961 362 D HN 0.343 nan 8.370 nan 0.000 0.460 363 N N -0.546 118.200 118.700 0.077 0.000 2.751 363 N HA 0.063 4.803 4.740 -0.000 0.000 0.238 363 N C -2.204 173.284 175.510 -0.036 0.000 1.351 363 N CA -1.157 51.898 53.050 0.009 0.000 0.751 363 N CB 1.618 40.097 38.487 -0.013 0.000 1.342 363 N HN -0.192 nan 8.380 nan 0.000 0.540 364 P HA -0.098 nan 4.420 nan 0.000 0.215 364 P C 0.823 178.020 177.300 -0.172 0.000 1.153 364 P CA 1.048 64.025 63.100 -0.205 0.000 0.853 364 P CB 0.574 32.189 31.700 -0.142 0.000 0.788 365 N N 0.077 118.699 118.700 -0.131 0.000 2.223 365 N HA -0.166 4.574 4.740 -0.000 0.000 0.185 365 N C 2.038 177.469 175.510 -0.131 0.000 1.016 365 N CA 0.949 53.912 53.050 -0.145 0.000 0.863 365 N CB -0.703 37.671 38.487 -0.188 0.000 0.983 365 N HN 0.383 nan 8.380 nan 0.000 0.429 366 Q N 0.155 119.891 119.800 -0.106 0.000 2.046 366 Q HA -0.071 4.269 4.340 -0.000 0.000 0.200 366 Q C 1.665 177.633 176.000 -0.053 0.000 0.975 366 Q CA 0.996 56.758 55.803 -0.068 0.000 0.836 366 Q CB 0.026 28.735 28.738 -0.048 0.000 0.896 366 Q HN 0.119 nan 8.270 nan 0.000 0.428 367 L N 0.423 121.596 121.223 -0.083 0.000 2.042 367 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 367 L C 2.224 179.061 176.870 -0.055 0.000 1.076 367 L CA 1.517 56.308 54.840 -0.081 0.000 0.749 367 L CB -0.717 41.240 42.059 -0.170 0.000 0.893 367 L HN 0.293 nan 8.230 nan 0.000 0.432 368 L N -1.236 119.943 121.223 -0.073 0.000 2.056 368 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 368 L C 2.673 179.567 176.870 0.039 0.000 1.078 368 L CA 1.156 55.980 54.840 -0.027 0.000 0.749 368 L CB -0.844 41.184 42.059 -0.051 0.000 0.901 368 L HN 0.275 nan 8.230 nan 0.000 0.433 369 A N -0.172 122.668 122.820 0.034 0.000 1.933 369 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 369 A C 2.163 179.837 177.584 0.150 0.000 1.175 369 A CA 1.582 53.690 52.037 0.117 0.000 0.628 369 A CB -0.419 18.659 19.000 0.131 0.000 0.814 369 A HN 0.431 nan 8.150 nan 0.000 0.444 370 E N -0.652 119.605 120.200 0.095 0.000 2.085 370 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 370 E C 2.260 178.969 176.600 0.181 0.000 0.994 370 E CA 1.298 57.765 56.400 0.113 0.000 0.801 370 E CB -0.081 29.654 29.700 0.059 0.000 0.743 370 E HN 0.533 nan 8.360 nan 0.000 0.453 371 Q N 0.013 119.893 119.800 0.134 0.000 2.123 371 Q HA -0.086 4.254 4.340 -0.000 0.000 0.199 371 Q C 2.400 178.516 176.000 0.194 0.000 0.966 371 Q CA 0.748 56.625 55.803 0.123 0.000 0.845 371 Q CB -0.268 28.509 28.738 0.066 0.000 0.907 371 Q HN 0.214 nan 8.270 nan 0.000 0.439 372 V N 0.465 120.540 119.914 0.269 0.000 2.295 372 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 372 V C 2.101 178.425 176.094 0.383 0.000 1.049 372 V CA 1.908 64.461 62.300 0.422 0.000 1.024 372 V CB -0.786 31.221 31.823 0.306 0.000 0.648 372 V HN 0.291 nan 8.190 nan 0.000 0.447 373 Y N 1.090 121.503 120.300 0.187 0.000 2.181 373 Y HA -0.241 4.309 4.550 -0.000 0.000 0.288 373 Y C 2.780 178.783 175.900 0.172 0.000 1.146 373 Y CA 2.132 60.336 58.100 0.173 0.000 1.164 373 Y CB -0.268 38.284 38.460 0.153 0.000 0.982 373 Y HN 0.059 nan 8.280 nan 0.000 0.515 374 R N -0.115 120.576 120.500 0.319 0.000 2.117 374 R HA -0.194 4.146 4.340 -0.000 0.000 0.243 374 R C 2.137 178.175 176.300 -0.437 0.000 1.143 374 R CA 2.123 58.273 56.100 0.083 0.000 0.968 374 R CB -0.672 29.674 30.300 0.076 0.000 0.863 374 R HN 0.565 nan 8.270 nan 0.000 0.444 375 T N -2.103 112.324 114.554 -0.211 0.000 3.025 375 T HA -0.070 4.280 4.350 -0.000 0.000 0.270 375 T C 1.619 176.207 174.700 -0.187 0.000 1.126 375 T CA 0.858 62.799 62.100 -0.264 0.000 1.105 375 T CB -0.223 68.604 68.868 -0.068 0.000 0.884 375 T HN 0.355 nan 8.240 nan 0.000 0.522 376 R N 0.109 120.509 120.500 -0.167 0.000 2.115 376 R HA 0.069 4.409 4.340 -0.000 0.000 0.230 376 R C 2.325 178.614 176.300 -0.018 0.000 1.111 376 R CA 1.696 57.738 56.100 -0.098 0.000 0.976 376 R CB -0.191 29.994 30.300 -0.193 0.000 0.870 376 R HN 0.795 nan 8.270 nan 0.000 0.445 377 W N 0.091 121.364 121.300 -0.046 0.000 2.915 377 W HA 0.131 4.791 4.660 -0.000 0.000 0.276 377 W C 1.279 177.777 176.519 -0.035 0.000 1.215 377 W CA 0.735 58.091 57.345 0.019 0.000 1.514 377 W CB -0.777 28.744 29.460 0.101 0.000 1.017 377 W HN -0.047 nan 8.180 nan 0.000 0.598 378 T N -0.422 113.698 114.554 -0.724 0.000 2.665 378 T HA -0.021 4.329 4.350 -0.000 0.000 0.268 378 T C 1.984 176.484 174.700 -0.334 0.000 1.035 378 T CA 2.852 64.508 62.100 -0.740 0.000 1.151 378 T CB -1.155 67.211 68.868 -0.836 0.000 0.862 378 T HN 0.662 nan 8.240 nan 0.000 0.438 379 G N 1.456 110.141 108.800 -0.191 0.000 2.179 379 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.220 379 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.220 379 G C 0.694 175.555 174.900 -0.063 0.000 0.990 379 G CA 0.749 45.831 45.100 -0.030 0.000 0.646 379 G HN 0.798 nan 8.290 nan 0.000 0.517 380 E N -0.436 119.617 120.200 -0.246 0.000 2.265 380 E HA -0.012 4.338 4.350 -0.000 0.000 0.196 380 E C 1.526 177.853 176.600 -0.455 0.000 0.996 380 E CA 0.859 57.039 56.400 -0.367 0.000 0.832 380 E CB -0.237 29.124 29.700 -0.565 0.000 0.756 380 E HN 0.455 nan 8.360 nan 0.000 0.491 381 F N 1.488 121.303 119.950 -0.225 0.000 2.765 381 F HA 0.365 4.892 4.527 -0.000 0.000 0.302 381 F C 1.151 177.025 175.800 0.125 0.000 1.111 381 F CA -0.393 57.536 58.000 -0.118 0.000 1.359 381 F CB 0.063 38.907 39.000 -0.260 0.000 1.097 381 F HN 0.005 nan 8.300 nan 0.000 0.577 382 A N 0.106 123.060 122.820 0.224 0.000 2.466 382 A HA 0.326 4.646 4.320 -0.000 0.000 0.238 382 A C 1.348 178.996 177.584 0.106 0.000 1.074 382 A CA 0.602 52.732 52.037 0.154 0.000 0.774 382 A CB -0.040 19.076 19.000 0.194 0.000 1.015 382 A HN 0.350 nan 8.150 nan 0.000 0.498 383 T N -2.184 112.312 114.554 -0.096 0.000 3.054 383 T HA 0.131 4.481 4.350 -0.000 0.000 0.255 383 T C 1.088 175.724 174.700 -0.106 0.000 1.035 383 T CA 0.434 62.494 62.100 -0.066 0.000 0.941 383 T CB -0.351 68.501 68.868 -0.026 0.000 1.026 383 T HN 0.706 nan 8.240 nan 0.000 0.533 384 H N 2.023 121.173 119.070 0.133 0.000 2.290 384 H HA -0.002 4.554 4.556 -0.000 0.000 0.298 384 H C 2.624 177.990 175.328 0.063 0.000 1.087 384 H CA 1.754 57.874 56.048 0.119 0.000 1.291 384 H CB -1.023 28.839 29.762 0.167 0.000 1.369 384 H HN 0.534 nan 8.280 nan 0.000 0.492 385 G N 0.882 109.855 108.800 0.289 0.000 2.514 385 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 385 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 385 G C 2.058 176.783 174.900 -0.291 0.000 1.198 385 G CA 1.896 47.084 45.100 0.147 0.000 0.780 385 G HN 0.553 nan 8.290 nan 0.000 0.565 386 A N 0.289 122.774 122.820 -0.559 0.000 1.940 386 A HA -0.041 4.279 4.320 -0.000 0.000 0.219 386 A C 2.665 179.986 177.584 -0.438 0.000 1.176 386 A CA 2.475 53.925 52.037 -0.978 0.000 0.631 386 A CB -0.859 17.568 19.000 -0.954 0.000 0.814 386 A HN 0.522 nan 8.150 nan 0.000 0.446 387 S N -1.146 114.411 115.700 -0.238 0.000 2.368 387 S HA -0.203 4.266 4.470 -0.000 0.000 0.225 387 S C 1.865 176.398 174.600 -0.113 0.000 1.030 387 S CA 1.610 59.739 58.200 -0.119 0.000 0.999 387 S CB -0.830 62.350 63.200 -0.033 0.000 0.844 387 S HN 0.634 nan 8.310 nan 0.000 0.459 388 C N 0.607 119.805 119.300 -0.171 0.000 2.430 388 C HA 0.090 4.550 4.460 -0.000 0.000 0.288 388 C C 1.482 176.276 174.990 -0.327 0.000 1.448 388 C CA 0.232 59.120 59.018 -0.216 0.000 1.784 388 C CB -1.827 25.735 27.740 -0.297 0.000 1.776 388 C HN 0.698 nan 8.230 nan 0.000 0.547 389 Y N 0.037 120.206 120.300 -0.218 0.000 2.524 389 Y HA 0.301 4.851 4.550 -0.000 0.000 0.266 389 Y C 1.786 177.596 175.900 -0.150 0.000 1.180 389 Y CA 0.415 58.405 58.100 -0.182 0.000 1.244 389 Y CB -0.454 37.845 38.460 -0.268 0.000 1.125 389 Y HN 0.302 nan 8.280 nan 0.000 0.524 390 G N 1.104 109.895 108.800 -0.015 0.000 2.179 390 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.257 390 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.257 390 G C -0.056 174.823 174.900 -0.035 0.000 1.010 390 G CA 0.360 45.459 45.100 -0.002 0.000 0.736 390 G HN 0.346 nan 8.290 nan 0.000 0.513 391 I N 0.053 120.553 120.570 -0.116 0.000 2.509 391 I HA 0.317 4.487 4.170 -0.000 0.000 0.293 391 I C -0.730 175.268 176.117 -0.198 0.000 1.020 391 I CA -0.962 60.224 61.300 -0.190 0.000 1.088 391 I CB 1.932 39.746 38.000 -0.309 0.000 1.267 391 I HN -0.019 nan 8.210 nan 0.000 0.430 392 D N 6.724 127.018 120.400 -0.178 0.000 2.441 392 D HA 0.197 4.837 4.640 -0.000 0.000 0.221 392 D C -0.571 175.575 176.300 -0.256 0.000 1.156 392 D CA -0.453 53.461 54.000 -0.144 0.000 0.896 392 D CB 0.854 41.620 40.800 -0.056 0.000 1.028 392 D HN 0.220 nan 8.370 nan 0.000 0.509 393 I N 3.633 124.048 120.570 -0.259 0.000 2.496 393 I HA 0.241 4.411 4.170 -0.000 0.000 0.285 393 I C -0.240 175.598 176.117 -0.466 0.000 1.080 393 I CA 0.065 61.174 61.300 -0.319 0.000 1.404 393 I CB 0.378 38.241 38.000 -0.228 0.000 1.403 393 I HN 0.276 nan 8.210 nan 0.000 0.539 394 R N 5.200 125.351 120.500 -0.582 0.000 2.673 394 R HA 0.515 4.855 4.340 -0.000 0.000 0.281 394 R C -1.442 174.502 176.300 -0.594 0.000 0.991 394 R CA -0.609 55.106 56.100 -0.642 0.000 0.896 394 R CB 1.205 31.210 30.300 -0.491 0.000 1.201 394 R HN 0.567 nan 8.270 nan 0.000 0.457 395 H N 4.185 123.259 119.070 0.007 0.000 2.645 395 H HA 0.208 4.764 4.556 -0.000 0.000 0.257 395 H C -2.008 173.474 175.328 0.258 0.000 1.269 395 H CA -2.075 54.110 56.048 0.229 0.000 1.409 395 H CB 1.373 31.383 29.762 0.412 0.000 1.434 395 H HN 0.372 nan 8.280 nan 0.000 0.505 396 P HA -0.240 nan 4.420 nan 0.000 0.220 396 P C 1.310 178.713 177.300 0.171 0.000 1.155 396 P CA 1.496 64.670 63.100 0.124 0.000 0.880 396 P CB 0.015 31.734 31.700 0.031 0.000 0.790 397 F N -3.148 116.991 119.950 0.315 0.000 2.234 397 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 397 F C 1.710 177.722 175.800 0.352 0.000 1.087 397 F CA 0.667 58.875 58.000 0.347 0.000 1.340 397 F CB -0.570 38.689 39.000 0.432 0.000 1.031 397 F HN 0.016 nan 8.300 nan 0.000 0.500 398 W N 2.925 124.429 121.300 0.341 0.000 1.395 398 W HA 0.214 4.874 4.660 -0.000 0.000 0.451 398 W C 0.284 176.859 176.519 0.094 0.000 0.619 398 W CA -0.229 57.227 57.345 0.185 0.000 2.212 398 W CB -0.215 29.319 29.460 0.123 0.000 1.537 398 W HN -0.116 nan 8.180 nan 0.000 0.275 399 S N -0.338 115.322 115.700 -0.066 0.000 2.537 399 S HA 0.244 4.714 4.470 -0.000 0.000 0.301 399 S C 0.996 175.399 174.600 -0.328 0.000 1.092 399 S CA -0.621 57.462 58.200 -0.195 0.000 1.048 399 S CB 1.492 64.604 63.200 -0.146 0.000 1.053 399 S HN 0.314 nan 8.310 nan 0.000 0.501 400 H N 2.407 121.326 119.070 -0.251 0.000 2.289 400 H HA -0.071 4.485 4.556 -0.000 0.000 0.296 400 H C 2.254 177.344 175.328 -0.397 0.000 1.091 400 H CA 2.164 58.026 56.048 -0.311 0.000 1.274 400 H CB -0.867 28.740 29.762 -0.258 0.000 1.364 400 H HN 0.684 nan 8.280 nan 0.000 0.490 401 S N 0.497 115.950 115.700 -0.410 0.000 2.370 401 S HA -0.113 4.357 4.470 -0.000 0.000 0.226 401 S C 2.288 176.488 174.600 -0.668 0.000 1.033 401 S CA 0.967 58.726 58.200 -0.734 0.000 1.011 401 S CB -0.335 61.969 63.200 -1.494 0.000 0.852 401 S HN 0.138 nan 8.310 nan 0.000 0.457 402 L N 1.572 122.498 121.223 -0.494 0.000 2.109 402 L HA 0.139 4.479 4.340 -0.000 0.000 0.207 402 L C 1.864 178.587 176.870 -0.245 0.000 1.086 402 L CA 1.353 56.053 54.840 -0.233 0.000 0.760 402 L CB -0.504 41.518 42.059 -0.061 0.000 0.910 402 L HN 0.277 nan 8.230 nan 0.000 0.437 403 I N -1.407 118.971 120.570 -0.321 0.000 2.179 403 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 403 I C 2.361 178.340 176.117 -0.231 0.000 1.088 403 I CA 1.366 62.445 61.300 -0.368 0.000 1.357 403 I CB -0.440 37.230 38.000 -0.550 0.000 1.051 403 I HN 0.164 nan 8.210 nan 0.000 0.409 404 S N 0.823 116.397 115.700 -0.211 0.000 2.368 404 S HA -0.152 4.318 4.470 -0.000 0.000 0.225 404 S C 2.017 176.575 174.600 -0.069 0.000 1.030 404 S CA 1.102 59.222 58.200 -0.134 0.000 0.999 404 S CB -0.381 62.725 63.200 -0.156 0.000 0.844 404 S HN 0.369 nan 8.310 nan 0.000 0.459 405 L N 0.886 122.043 121.223 -0.110 0.000 2.012 405 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 405 L C 2.047 178.878 176.870 -0.065 0.000 1.073 405 L CA 1.574 56.380 54.840 -0.057 0.000 0.748 405 L CB -0.461 41.581 42.059 -0.028 0.000 0.891 405 L HN 0.417 nan 8.230 nan 0.000 0.431 406 C N -1.407 117.810 119.300 -0.138 0.000 2.448 406 C HA -0.104 4.356 4.460 -0.000 0.000 0.280 406 C C 2.440 177.365 174.990 -0.109 0.000 1.398 406 C CA 0.384 59.290 59.018 -0.186 0.000 1.774 406 C CB -1.407 26.107 27.740 -0.377 0.000 1.888 406 C HN 0.654 nan 8.230 nan 0.000 0.519 407 H N 2.001 120.988 119.070 -0.137 0.000 2.292 407 H HA -0.210 4.346 4.556 -0.000 0.000 0.292 407 H C 1.769 177.057 175.328 -0.067 0.000 1.100 407 H CA 2.469 58.458 56.048 -0.098 0.000 1.238 407 H CB -0.037 29.672 29.762 -0.089 0.000 1.355 407 H HN 0.398 nan 8.280 nan 0.000 0.484 408 A N -0.216 122.478 122.820 -0.211 0.000 2.589 408 A HA 0.293 4.613 4.320 -0.000 0.000 0.283 408 A C 0.058 177.594 177.584 -0.080 0.000 1.187 408 A CA -0.387 51.517 52.037 -0.221 0.000 0.957 408 A CB -0.231 18.687 19.000 -0.138 0.000 1.175 408 A HN 0.324 nan 8.150 nan 0.000 0.532 409 L N 1.242 122.443 121.223 -0.037 0.000 2.525 409 L HA 0.030 4.370 4.340 -0.000 0.000 0.278 409 L C 0.777 177.714 176.870 0.110 0.000 1.218 409 L CA 0.256 55.135 54.840 0.064 0.000 0.878 409 L CB -0.033 42.057 42.059 0.052 0.000 1.127 409 L HN 0.498 nan 8.230 nan 0.000 0.492 410 H N 6.872 126.020 119.070 0.129 0.000 3.157 410 H HA -0.009 4.547 4.556 -0.000 0.000 0.299 410 H C -1.783 173.569 175.328 0.039 0.000 0.961 410 H CA -1.020 55.061 56.048 0.054 0.000 1.428 410 H CB 0.843 30.599 29.762 -0.009 0.000 1.459 410 H HN 0.534 nan 8.280 nan 0.000 0.566 411 P HA -0.178 nan 4.420 nan 0.000 0.217 411 P C 0.995 178.394 177.300 0.165 0.000 1.151 411 P CA 1.494 64.628 63.100 0.057 0.000 0.849 411 P CB 0.329 31.998 31.700 -0.052 0.000 0.787 412 D N -2.549 117.996 120.400 0.242 0.000 2.265 412 D HA -0.163 4.477 4.640 -0.000 0.000 0.208 412 D C 1.439 177.628 176.300 -0.185 0.000 0.977 412 D CA 1.055 54.946 54.000 -0.181 0.000 0.871 412 D CB -0.620 39.732 40.800 -0.746 0.000 0.925 412 D HN 0.291 nan 8.370 nan 0.000 0.485 413 Y N 0.523 120.856 120.300 0.056 0.000 2.475 413 Y HA 0.079 4.629 4.550 -0.000 0.000 0.289 413 Y C 2.032 178.029 175.900 0.162 0.000 1.121 413 Y CA 0.608 58.761 58.100 0.089 0.000 1.257 413 Y CB 0.230 38.757 38.460 0.113 0.000 1.026 413 Y HN -0.053 nan 8.280 nan 0.000 0.555 414 K N -0.390 120.187 120.400 0.295 0.000 2.244 414 K HA 0.243 4.563 4.320 -0.000 0.000 0.200 414 K C 0.172 176.898 176.600 0.210 0.000 1.052 414 K CA 0.551 56.988 56.287 0.250 0.000 0.980 414 K CB 1.034 33.639 32.500 0.175 0.000 0.838 414 K HN 0.076 nan 8.250 nan 0.000 0.481 415 I N 0.621 121.320 120.570 0.215 0.000 2.563 415 I HA 0.317 4.486 4.170 -0.000 0.000 0.281 415 I C -1.900 174.414 176.117 0.328 0.000 1.110 415 I CA -0.745 60.696 61.300 0.234 0.000 1.073 415 I CB 0.808 38.935 38.000 0.212 0.000 1.215 415 I HN -0.077 nan 8.210 nan 0.000 0.460 416 F N 6.372 126.381 119.950 0.099 0.000 2.576 416 F HA 0.343 4.870 4.527 -0.000 0.000 0.313 416 F C -0.352 175.489 175.800 0.068 0.000 1.078 416 F CA -0.751 57.293 58.000 0.073 0.000 0.921 416 F CB 1.221 40.252 39.000 0.052 0.000 1.232 416 F HN 0.700 nan 8.300 nan 0.000 0.459 417 D N 2.775 122.927 120.400 -0.414 0.000 3.025 417 D HA -0.332 4.308 4.640 -0.000 0.000 0.201 417 D C -0.196 176.038 176.300 -0.110 0.000 1.267 417 D CA 1.333 55.114 54.000 -0.366 0.000 0.736 417 D CB -1.606 38.846 40.800 -0.580 0.000 0.883 417 D HN 0.763 nan 8.370 nan 0.000 0.388 418 N N -0.245 118.439 118.700 -0.026 0.000 2.725 418 N HA -0.241 4.499 4.740 -0.000 0.000 0.251 418 N C -1.218 174.335 175.510 0.073 0.000 1.031 418 N CA 1.633 54.700 53.050 0.027 0.000 0.720 418 N CB -0.133 38.357 38.487 0.005 0.000 0.930 418 N HN 0.651 nan 8.380 nan 0.000 0.543 419 E N -1.107 119.157 120.200 0.107 0.000 2.412 419 E HA 0.607 4.957 4.350 -0.000 0.000 0.279 419 E C -1.000 175.694 176.600 0.156 0.000 0.984 419 E CA -0.695 55.791 56.400 0.143 0.000 0.788 419 E CB 2.213 32.004 29.700 0.151 0.000 1.277 419 E HN -0.032 nan 8.360 nan 0.000 0.455 420 V N 1.455 121.449 119.914 0.133 0.000 2.925 420 V HA 0.314 4.434 4.120 -0.000 0.000 0.311 420 V C -0.271 175.879 176.094 0.093 0.000 1.104 420 V CA -0.785 61.585 62.300 0.118 0.000 0.954 420 V CB 1.916 33.786 31.823 0.078 0.000 1.022 420 V HN 0.756 nan 8.190 nan 0.000 0.427 421 K N 1.768 122.247 120.400 0.132 0.000 3.160 421 K HA -0.239 4.081 4.320 -0.000 0.000 0.280 421 K C 0.933 177.591 176.600 0.098 0.000 1.154 421 K CA 0.834 57.190 56.287 0.114 0.000 0.822 421 K CB -1.258 31.243 32.500 0.001 0.000 1.239 421 K HN 0.786 nan 8.250 nan 0.000 0.489 422 N N 1.090 119.892 118.700 0.170 0.000 2.011 422 N HA -0.214 4.526 4.740 -0.000 0.000 0.199 422 N C 1.549 177.163 175.510 0.174 0.000 1.047 422 N CA 1.786 54.949 53.050 0.188 0.000 0.863 422 N CB -0.211 38.428 38.487 0.253 0.000 1.056 422 N HN 0.344 nan 8.380 nan 0.000 0.427 423 I N 0.524 121.232 120.570 0.230 0.000 2.335 423 I HA -0.154 4.016 4.170 -0.000 0.000 0.251 423 I C 1.893 178.048 176.117 0.063 0.000 1.129 423 I CA 1.025 62.436 61.300 0.185 0.000 1.402 423 I CB -0.242 37.872 38.000 0.190 0.000 1.069 423 I HN 0.221 nan 8.210 nan 0.000 0.424 424 L N -0.042 121.129 121.223 -0.087 0.000 2.027 424 L HA -0.193 4.147 4.340 -0.000 0.000 0.206 424 L C 2.735 179.586 176.870 -0.032 0.000 1.074 424 L CA 1.341 56.031 54.840 -0.250 0.000 0.745 424 L CB -0.409 41.292 42.059 -0.596 0.000 0.898 424 L HN 0.225 nan 8.230 nan 0.000 0.433 425 R N -0.156 120.339 120.500 -0.009 0.000 2.091 425 R HA -0.202 4.138 4.340 -0.000 0.000 0.238 425 R C 1.987 178.318 176.300 0.053 0.000 1.136 425 R CA 1.628 57.744 56.100 0.026 0.000 0.959 425 R CB -0.405 29.929 30.300 0.057 0.000 0.856 425 R HN 0.519 nan 8.270 nan 0.000 0.437 426 E N 0.094 120.345 120.200 0.085 0.000 2.077 426 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 426 E C 1.801 178.456 176.600 0.091 0.000 0.989 426 E CA 1.315 57.772 56.400 0.095 0.000 0.800 426 E CB -0.253 29.522 29.700 0.125 0.000 0.746 426 E HN 0.355 nan 8.360 nan 0.000 0.452 427 Y N 1.432 121.730 120.300 -0.003 0.000 2.242 427 Y HA -0.149 4.401 4.550 -0.000 0.000 0.291 427 Y C 2.148 178.045 175.900 -0.004 0.000 1.137 427 Y CA 1.090 59.184 58.100 -0.011 0.000 1.181 427 Y CB -0.458 37.981 38.460 -0.034 0.000 0.989 427 Y HN -0.021 nan 8.280 nan 0.000 0.527 428 A N 0.927 123.622 122.820 -0.208 0.000 1.845 428 A HA -0.222 4.098 4.320 -0.000 0.000 0.215 428 A C 1.976 179.443 177.584 -0.195 0.000 1.195 428 A CA 2.042 53.924 52.037 -0.258 0.000 0.616 428 A CB -1.147 17.809 19.000 -0.073 0.000 0.832 428 A HN 0.663 nan 8.150 nan 0.000 0.443 429 D N 0.328 120.677 120.400 -0.085 0.000 2.312 429 D HA -0.112 4.528 4.640 -0.000 0.000 0.211 429 D C 1.795 178.057 176.300 -0.063 0.000 0.964 429 D CA 1.475 55.446 54.000 -0.048 0.000 0.877 429 D CB -0.760 40.044 40.800 0.007 0.000 0.924 429 D HN 0.490 nan 8.370 nan 0.000 0.515 430 S N -0.246 115.399 115.700 -0.092 0.000 2.515 430 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 430 S C 1.841 176.381 174.600 -0.100 0.000 0.987 430 S CA -0.104 58.056 58.200 -0.067 0.000 0.936 430 S CB -0.372 62.808 63.200 -0.032 0.000 0.766 430 S HN 0.144 nan 8.310 nan 0.000 0.528 431 L N 0.700 121.821 121.223 -0.170 0.000 2.313 431 L HA 0.150 4.490 4.340 -0.000 0.000 0.214 431 L C 0.764 177.586 176.870 -0.080 0.000 1.119 431 L CA 1.209 55.959 54.840 -0.150 0.000 0.809 431 L CB -1.308 40.619 42.059 -0.220 0.000 0.933 431 L HN 0.441 nan 8.230 nan 0.000 0.449 432 Q N -1.116 118.646 119.800 -0.063 0.000 2.478 432 Q HA -0.235 4.105 4.340 -0.000 0.000 0.286 432 Q C 0.751 176.733 176.000 -0.030 0.000 1.299 432 Q CA 0.538 56.321 55.803 -0.035 0.000 0.826 432 Q CB -1.953 26.769 28.738 -0.026 0.000 1.199 432 Q HN 0.315 nan 8.270 nan 0.000 0.451 433 L N -1.579 119.623 121.223 -0.035 0.000 2.730 433 L HA 0.251 4.591 4.340 -0.000 0.000 0.236 433 L C 0.222 177.086 176.870 -0.009 0.000 1.061 433 L CA 0.663 55.489 54.840 -0.022 0.000 0.898 433 L CB 0.441 42.483 42.059 -0.027 0.000 1.270 433 L HN 0.159 nan 8.230 nan 0.000 0.500 434 L N 1.172 122.390 121.223 -0.008 0.000 2.325 434 L HA 0.491 4.831 4.340 -0.000 0.000 0.278 434 L C -2.054 174.831 176.870 0.026 0.000 1.023 434 L CA -1.948 52.900 54.840 0.013 0.000 0.811 434 L CB 0.701 42.772 42.059 0.020 0.000 1.249 434 L HN -0.081 nan 8.230 nan 0.000 0.431 435 P HA 0.040 nan 4.420 nan 0.000 0.265 435 P C -0.081 177.262 177.300 0.072 0.000 1.193 435 P CA -0.326 62.800 63.100 0.044 0.000 0.765 435 P CB 0.680 32.404 31.700 0.041 0.000 0.823 436 K N 2.466 122.902 120.400 0.060 0.000 2.160 436 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 436 K C 1.494 178.168 176.600 0.123 0.000 1.047 436 K CA 1.720 58.054 56.287 0.079 0.000 0.930 436 K CB -0.726 31.804 32.500 0.050 0.000 0.720 436 K HN 0.666 nan 8.250 nan 0.000 0.450 437 D N 0.333 120.801 120.400 0.114 0.000 2.178 437 D HA -0.155 4.485 4.640 -0.000 0.000 0.202 437 D C 1.798 178.305 176.300 0.344 0.000 0.974 437 D CA 0.759 54.848 54.000 0.148 0.000 0.841 437 D CB -0.121 40.731 40.800 0.088 0.000 0.953 437 D HN 0.081 nan 8.370 nan 0.000 0.478 438 I N 0.965 121.729 120.570 0.324 0.000 2.333 438 I HA -0.182 3.988 4.170 -0.000 0.000 0.246 438 I C 2.630 178.953 176.117 0.344 0.000 1.106 438 I CA 0.534 62.064 61.300 0.383 0.000 1.411 438 I CB -0.181 37.962 38.000 0.238 0.000 1.082 438 I HN -0.102 nan 8.210 nan 0.000 0.420 439 V N -1.361 118.705 119.914 0.254 0.000 2.667 439 V HA -0.210 3.910 4.120 -0.000 0.000 0.252 439 V C 1.175 177.457 176.094 0.314 0.000 1.065 439 V CA 1.202 63.607 62.300 0.175 0.000 1.083 439 V CB -0.770 31.118 31.823 0.109 0.000 0.692 439 V HN 0.651 nan 8.190 nan 0.000 0.468 440 W N -1.450 119.873 121.300 0.038 0.000 1.134 440 W HA -0.284 4.376 4.660 -0.000 0.000 0.226 440 W C 1.165 177.704 176.519 0.032 0.000 0.941 440 W CA 1.243 58.610 57.345 0.036 0.000 0.372 440 W CB -1.323 28.152 29.460 0.025 0.000 1.939 440 W HN 0.314 nan 8.180 nan 0.000 1.337 469 T N 0.153 114.751 114.554 0.072 0.000 2.951 469 T HA -0.004 4.346 4.350 -0.000 0.000 0.268 469 T C 1.359 176.135 174.700 0.127 0.000 1.073 469 T CA 1.696 63.846 62.100 0.084 0.000 1.134 469 T CB 0.119 69.019 68.868 0.053 0.000 0.884 469 T HN 0.267 nan 8.240 nan 0.000 0.479 470 K N 0.538 121.012 120.400 0.123 0.000 2.103 470 K HA 0.064 4.384 4.320 -0.000 0.000 0.204 470 K C 2.673 179.404 176.600 0.218 0.000 1.052 470 K CA 1.337 57.729 56.287 0.175 0.000 0.945 470 K CB -0.094 32.482 32.500 0.126 0.000 0.722 470 K HN 0.192 nan 8.250 nan 0.000 0.443 471 S N 0.878 116.677 115.700 0.166 0.000 2.402 471 S HA -0.073 4.397 4.470 -0.000 0.000 0.229 471 S C 1.864 176.589 174.600 0.209 0.000 1.021 471 S CA 0.872 59.173 58.200 0.169 0.000 0.974 471 S CB -0.060 63.218 63.200 0.130 0.000 0.800 471 S HN 0.249 nan 8.310 nan 0.000 0.484 472 R N -0.181 120.440 120.500 0.203 0.000 2.075 472 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 472 R C 2.084 178.524 176.300 0.235 0.000 1.126 472 R CA 1.345 57.575 56.100 0.216 0.000 0.963 472 R CB -0.303 30.099 30.300 0.169 0.000 0.858 472 R HN 0.442 nan 8.270 nan 0.000 0.435 473 F N 0.943 120.953 119.950 0.099 0.000 2.084 473 F HA -0.154 4.373 4.527 -0.000 0.000 0.296 473 F C 2.073 177.936 175.800 0.106 0.000 1.111 473 F CA 1.852 59.897 58.000 0.075 0.000 1.224 473 F CB -0.778 38.256 39.000 0.056 0.000 0.991 473 F HN -0.108 nan 8.300 nan 0.000 0.471 474 T N -0.160 114.375 114.554 -0.032 0.000 2.665 474 T HA -0.316 4.034 4.350 -0.000 0.000 0.268 474 T C 1.812 176.548 174.700 0.060 0.000 1.035 474 T CA 2.028 64.087 62.100 -0.069 0.000 1.151 474 T CB -0.983 67.948 68.868 0.105 0.000 0.862 474 T HN 0.554 nan 8.240 nan 0.000 0.438 475 Y N 1.223 121.529 120.300 0.011 0.000 2.224 475 Y HA -0.206 4.344 4.550 -0.000 0.000 0.289 475 Y C 2.718 178.622 175.900 0.007 0.000 1.146 475 Y CA 0.903 59.034 58.100 0.052 0.000 1.182 475 Y CB 0.066 38.557 38.460 0.051 0.000 0.983 475 Y HN -0.018 nan 8.280 nan 0.000 0.524 476 R N 0.279 120.698 120.500 -0.135 0.000 2.080 476 R HA -0.180 4.160 4.340 -0.000 0.000 0.236 476 R C 2.429 178.540 176.300 -0.314 0.000 1.137 476 R CA 2.081 58.021 56.100 -0.266 0.000 0.943 476 R CB -1.145 29.058 30.300 -0.161 0.000 0.846 476 R HN 0.459 nan 8.270 nan 0.000 0.431 477 V N -1.281 118.417 119.914 -0.360 0.000 2.515 477 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 477 V C 1.982 178.014 176.094 -0.102 0.000 1.058 477 V CA 1.712 63.810 62.300 -0.338 0.000 1.064 477 V CB -0.992 30.599 31.823 -0.386 0.000 0.675 477 V HN 0.361 nan 8.190 nan 0.000 0.461 478 Y N 1.946 122.178 120.300 -0.113 0.000 2.097 478 Y HA -0.259 4.291 4.550 -0.000 0.000 0.282 478 Y C 2.710 178.517 175.900 -0.155 0.000 1.152 478 Y CA 2.590 60.703 58.100 0.022 0.000 1.136 478 Y CB -0.495 38.058 38.460 0.155 0.000 0.975 478 Y HN 0.322 nan 8.280 nan 0.000 0.498 479 Q N -0.128 119.410 119.800 -0.436 0.000 2.084 479 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 479 Q C 2.540 178.236 176.000 -0.507 0.000 0.978 479 Q CA 1.461 56.716 55.803 -0.913 0.000 0.844 479 Q CB -0.452 27.624 28.738 -1.104 0.000 0.898 479 Q HN 0.623 nan 8.270 nan 0.000 0.426 480 A N 0.429 123.021 122.820 -0.380 0.000 1.908 480 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 480 A C 1.836 179.276 177.584 -0.240 0.000 1.181 480 A CA 1.264 53.108 52.037 -0.322 0.000 0.627 480 A CB -0.823 17.935 19.000 -0.403 0.000 0.818 480 A HN 0.351 nan 8.150 nan 0.000 0.445 481 F N -1.057 118.812 119.950 -0.136 0.000 2.128 481 F HA -0.081 4.446 4.527 -0.000 0.000 0.295 481 F C 2.019 177.790 175.800 -0.049 0.000 1.100 481 F CA 0.668 58.649 58.000 -0.032 0.000 1.260 481 F CB -0.144 38.907 39.000 0.086 0.000 1.009 481 F HN 0.119 nan 8.300 nan 0.000 0.476 482 L N -0.098 121.138 121.223 0.022 0.000 2.201 482 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 482 L C 1.966 178.870 176.870 0.056 0.000 1.105 482 L CA 1.568 56.392 54.840 -0.026 0.000 0.775 482 L CB -0.600 41.389 42.059 -0.118 0.000 0.913 482 L HN -0.027 nan 8.230 nan 0.000 0.440 483 R N -1.027 119.504 120.500 0.053 0.000 2.317 483 R HA 0.179 4.519 4.340 -0.000 0.000 0.208 483 R C 1.188 177.508 176.300 0.034 0.000 0.914 483 R CA 0.613 56.757 56.100 0.074 0.000 1.060 483 R CB 0.066 30.416 30.300 0.084 0.000 1.015 483 R HN 0.412 nan 8.270 nan 0.000 0.498 484 G N 1.158 109.987 108.800 0.048 0.000 2.159 484 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.256 484 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.256 484 G C 0.782 175.682 174.900 0.000 0.000 0.977 484 G CA 0.586 45.713 45.100 0.045 0.000 0.652 484 G HN 0.385 nan 8.290 nan 0.000 0.531 485 R N -0.608 119.869 120.500 -0.040 0.000 2.062 485 R HA 0.292 4.632 4.340 -0.000 0.000 0.229 485 R C 1.153 177.388 176.300 -0.109 0.000 1.128 485 R CA 0.784 56.836 56.100 -0.080 0.000 0.960 485 R CB -0.107 30.125 30.300 -0.113 0.000 0.855 485 R HN 0.432 nan 8.270 nan 0.000 0.432 486 L N 0.410 121.526 121.223 -0.178 0.000 2.343 486 L HA 0.298 4.638 4.340 -0.000 0.000 0.275 486 L C -0.177 176.692 176.870 -0.001 0.000 1.056 486 L CA -0.538 54.152 54.840 -0.250 0.000 0.804 486 L CB 1.796 43.417 42.059 -0.731 0.000 1.203 486 L HN 0.030 nan 8.230 nan 0.000 0.440 487 S N 1.676 117.393 115.700 0.029 0.000 2.500 487 S HA 0.298 4.768 4.470 -0.000 0.000 0.301 487 S C 0.936 175.515 174.600 -0.034 0.000 1.092 487 S CA -0.708 57.502 58.200 0.017 0.000 1.030 487 S CB 1.287 64.451 63.200 -0.060 0.000 1.031 487 S HN 0.624 nan 8.310 nan 0.000 0.483 488 I N 4.484 124.766 120.570 -0.481 0.000 2.315 488 I HA -0.120 4.050 4.170 -0.000 0.000 0.251 488 I C 1.813 177.782 176.117 -0.245 0.000 1.125 488 I CA 2.429 63.322 61.300 -0.677 0.000 1.392 488 I CB -0.917 36.239 38.000 -1.407 0.000 1.065 488 I HN 0.881 nan 8.210 nan 0.000 0.424 489 T N -3.952 110.499 114.554 -0.171 0.000 3.086 489 T HA 0.035 4.385 4.350 -0.000 0.000 0.250 489 T C 1.064 175.740 174.700 -0.041 0.000 1.074 489 T CA 0.459 62.516 62.100 -0.072 0.000 0.988 489 T CB 0.002 68.834 68.868 -0.060 0.000 0.988 489 T HN 0.257 nan 8.240 nan 0.000 0.530 490 D N 0.523 120.897 120.400 -0.044 0.000 2.500 490 D HA 0.191 4.831 4.640 -0.000 0.000 0.217 490 D C 0.000 176.290 176.300 -0.017 0.000 1.159 490 D CA -0.240 53.743 54.000 -0.029 0.000 0.828 490 D CB 0.443 41.219 40.800 -0.041 0.000 1.039 490 D HN 0.145 nan 8.370 nan 0.000 0.512 491 V N 1.511 121.427 119.914 0.004 0.000 2.583 491 V HA 0.034 4.154 4.120 -0.000 0.000 0.302 491 V C 0.715 176.817 176.094 0.012 0.000 1.033 491 V CA 0.699 63.011 62.300 0.019 0.000 1.194 491 V CB 0.643 32.522 31.823 0.094 0.000 0.879 491 V HN 0.160 nan 8.190 nan 0.000 0.482 492 T N 8.593 123.143 114.554 -0.007 0.000 2.856 492 T HA 0.377 4.727 4.350 -0.000 0.000 0.283 492 T C -1.282 173.425 174.700 0.011 0.000 1.008 492 T CA -1.057 61.044 62.100 0.001 0.000 0.997 492 T CB 2.131 70.991 68.868 -0.012 0.000 0.992 492 T HN 0.522 nan 8.240 nan 0.000 0.454 493 P HA -0.138 nan 4.420 nan 0.000 0.218 493 P C 1.518 178.829 177.300 0.017 0.000 1.148 493 P CA 1.115 64.231 63.100 0.026 0.000 0.822 493 P CB 0.134 31.847 31.700 0.023 0.000 0.784 494 S N -0.489 115.214 115.700 0.006 0.000 2.414 494 S HA -0.126 4.344 4.470 -0.000 0.000 0.227 494 S C 2.174 176.772 174.600 -0.004 0.000 1.022 494 S CA 0.483 58.682 58.200 -0.000 0.000 0.958 494 S CB -1.126 62.071 63.200 -0.005 0.000 0.797 494 S HN 0.178 nan 8.310 nan 0.000 0.493 495 Q N 0.527 120.319 119.800 -0.014 0.000 2.124 495 Q HA 0.027 4.367 4.340 -0.000 0.000 0.202 495 Q C 2.032 178.021 176.000 -0.019 0.000 0.977 495 Q CA 1.114 56.895 55.803 -0.035 0.000 0.850 495 Q CB -0.324 28.374 28.738 -0.067 0.000 0.901 495 Q HN 0.418 nan 8.270 nan 0.000 0.429 496 L N 0.841 122.077 121.223 0.022 0.000 2.093 496 L HA -0.126 4.213 4.340 -0.000 0.000 0.208 496 L C 2.296 179.250 176.870 0.141 0.000 1.085 496 L CA 1.445 56.354 54.840 0.115 0.000 0.755 496 L CB -0.927 41.239 42.059 0.179 0.000 0.904 496 L HN 0.208 nan 8.230 nan 0.000 0.435 497 K N 0.373 120.807 120.400 0.057 0.000 2.097 497 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 497 K C 1.501 178.117 176.600 0.027 0.000 1.050 497 K CA 1.028 57.329 56.287 0.023 0.000 0.938 497 K CB -0.049 32.450 32.500 -0.002 0.000 0.718 497 K HN 0.303 nan 8.250 nan 0.000 0.442 498 D N 0.940 121.350 120.400 0.018 0.000 2.221 498 D HA -0.161 4.479 4.640 -0.000 0.000 0.204 498 D C 0.858 177.167 176.300 0.016 0.000 0.982 498 D CA 0.645 54.648 54.000 0.005 0.000 0.857 498 D CB 0.009 40.801 40.800 -0.014 0.000 0.934 498 D HN 0.225 nan 8.370 nan 0.000 0.475 499 L N 2.456 123.708 121.223 0.048 0.000 2.650 499 L HA 0.005 4.345 4.340 -0.000 0.000 0.239 499 L C 0.248 177.184 176.870 0.110 0.000 1.412 499 L CA -0.322 54.560 54.840 0.070 0.000 1.219 499 L CB -0.694 41.426 42.059 0.102 0.000 1.534 499 L HN -0.075 nan 8.230 nan 0.000 0.430 500 I N 0.000 120.604 120.570 0.057 0.000 2.984 500 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 500 I CA 0.000 61.328 61.300 0.047 0.000 1.566 500 I CB 0.000 38.031 38.000 0.052 0.000 1.214 500 I HN 0.000 nan 8.210 nan 0.000 0.494