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 2y7c_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNNNDLVAKL WKLCDNLRDG GVSYQNYVNE LASLLFLKMC KETGQEAEYL DATA SEQUENCE PEGYRWDDLK SRIGQEQLQF YRKMLVHLGE DDKKLVQAVF HNVSTTITEP DATA SEQUENCE KQITALVSNM DSLDWYNGAH GKSRDDFGDM YEGLLQKNAN ETKSGAGQYF DATA SEQUENCE TPRPLIKTII HLLKPQPREV VQDPAAGTAG FLIEADRYVK SQTNDLDDLD DATA SEQUENCE GDTQDFQIHR AFIGLELVPG TRRLALMNCL LHDIEGNLDH GGAIRLGNTL DATA SEQUENCE GSDGENLPKA HIVATNPPFG SAAGTNITRT FVHPTSNKQL CFMQHIIETL DATA SEQUENCE HPGGRAAVVV PDNVLFEGGK GTDIRRDLMD KCHLHTILRL PTGIFYAQGV DATA SEQUENCE KTNVLFFTKG TVANPNQDKN CTDDVWVYDL RTNMPSFGKR TPFTDEHLQP DATA SEQUENCE FERVYGEDPH GLSPRTEGEW SFNAEETEVA DSEENKNTDQ HLATSRWRKF DATA SEQUENCE SREWIRTAKS DSLDISWLKD KDSIDADSLP EPDVLAAEAM GELVQALSEL DATA SEQUENCE DALMRELGAS DEADLQRQLL EEAFGGVKE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.011 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 N N 3.208 121.913 118.700 0.008 0.000 2.371 2 N HA 0.344 5.078 4.740 -0.011 0.000 0.243 2 N C -0.501 175.015 175.510 0.011 0.000 1.287 2 N CA 0.462 53.517 53.050 0.009 0.000 0.911 2 N CB 0.174 38.664 38.487 0.005 0.000 1.142 2 N HN 0.649 nan 8.380 nan 0.000 0.451 3 N N -0.028 118.677 118.700 0.010 0.000 2.492 3 N HA 0.057 4.791 4.740 -0.011 0.000 0.260 3 N C -0.678 174.838 175.510 0.010 0.000 1.215 3 N CA -0.052 53.005 53.050 0.012 0.000 0.923 3 N CB 0.688 39.176 38.487 0.002 0.000 1.092 3 N HN 0.493 nan 8.380 nan 0.000 0.448 4 N N 0.289 119.004 118.700 0.025 0.000 3.455 4 N HA 0.133 4.866 4.740 -0.011 0.000 0.358 4 N C -0.199 175.341 175.510 0.051 0.000 1.580 4 N CA -0.722 52.351 53.050 0.037 0.000 0.692 4 N CB 0.876 39.397 38.487 0.056 0.000 1.978 4 N HN 0.564 nan 8.380 nan 0.000 0.651 5 D N 0.887 121.348 120.400 0.101 0.000 2.158 5 D HA -0.152 4.481 4.640 -0.011 0.000 0.197 5 D C 1.769 178.103 176.300 0.057 0.000 0.995 5 D CA 1.234 55.290 54.000 0.092 0.000 0.846 5 D CB 0.042 41.053 40.800 0.353 0.000 0.941 5 D HN 0.208 nan 8.370 nan 0.000 0.456 6 L N 0.696 122.018 121.223 0.165 0.000 2.072 6 L HA -0.104 4.229 4.340 -0.011 0.000 0.205 6 L C 2.365 179.287 176.870 0.087 0.000 1.079 6 L CA 1.041 55.960 54.840 0.132 0.000 0.752 6 L CB -0.254 41.851 42.059 0.077 0.000 0.906 6 L HN -0.167 nan 8.230 nan 0.000 0.436 7 V N -0.117 119.842 119.914 0.075 0.000 2.407 7 V HA -0.245 3.868 4.120 -0.011 0.000 0.248 7 V C 2.704 178.863 176.094 0.109 0.000 1.055 7 V CA 1.504 63.856 62.300 0.086 0.000 1.049 7 V CB -1.294 30.563 31.823 0.056 0.000 0.662 7 V HN 0.556 nan 8.190 nan 0.000 0.455 8 A N -0.458 122.400 122.820 0.063 0.000 1.968 8 A HA -0.192 4.122 4.320 -0.011 0.000 0.217 8 A C 2.326 180.006 177.584 0.159 0.000 1.169 8 A CA 1.821 53.900 52.037 0.071 0.000 0.638 8 A CB -0.375 18.613 19.000 -0.020 0.000 0.812 8 A HN 0.501 nan 8.150 nan 0.000 0.446 9 K N -0.399 120.049 120.400 0.081 0.000 2.155 9 K HA 0.065 4.378 4.320 -0.011 0.000 0.203 9 K C 1.723 178.385 176.600 0.103 0.000 1.052 9 K CA 0.851 57.173 56.287 0.058 0.000 0.948 9 K CB -0.206 32.284 32.500 -0.017 0.000 0.728 9 K HN 0.483 nan 8.250 nan 0.000 0.448 10 L N -0.679 120.626 121.223 0.137 0.000 2.109 10 L HA -0.125 4.208 4.340 -0.011 0.000 0.207 10 L C 2.173 179.115 176.870 0.120 0.000 1.086 10 L CA 0.773 55.695 54.840 0.137 0.000 0.760 10 L CB -0.400 41.761 42.059 0.169 0.000 0.910 10 L HN 0.389 nan 8.230 nan 0.000 0.437 11 W N 1.699 122.989 121.300 -0.017 0.000 2.355 11 W HA -0.219 4.434 4.660 -0.012 0.000 0.309 11 W C 2.430 178.896 176.519 -0.090 0.000 1.206 11 W CA 1.523 58.839 57.345 -0.049 0.000 1.284 11 W CB -0.003 29.446 29.460 -0.019 0.000 1.145 11 W HN -0.098 nan 8.180 nan 0.000 0.502 12 K N 0.035 120.473 120.400 0.064 0.000 2.103 12 K HA -0.206 4.108 4.320 -0.011 0.000 0.207 12 K C 1.967 178.399 176.600 -0.282 0.000 1.048 12 K CA 1.837 58.020 56.287 -0.173 0.000 0.930 12 K CB -0.720 31.807 32.500 0.044 0.000 0.716 12 K HN 0.318 nan 8.250 nan 0.000 0.444 13 L N 0.399 121.513 121.223 -0.181 0.000 2.093 13 L HA -0.193 4.140 4.340 -0.011 0.000 0.208 13 L C 2.426 179.113 176.870 -0.305 0.000 1.085 13 L CA 0.704 55.441 54.840 -0.171 0.000 0.755 13 L CB -0.534 41.485 42.059 -0.067 0.000 0.904 13 L HN 0.276 nan 8.230 nan 0.000 0.435 14 C N -0.037 118.983 119.300 -0.468 0.000 2.430 14 C HA -0.151 4.303 4.460 -0.011 0.000 0.288 14 C C 2.334 176.842 174.990 -0.805 0.000 1.448 14 C CA 0.677 59.221 59.018 -0.789 0.000 1.784 14 C CB -1.029 26.012 27.740 -1.165 0.000 1.776 14 C HN 0.530 nan 8.230 nan 0.000 0.547 15 D N 1.016 121.035 120.400 -0.635 0.000 2.219 15 D HA -0.084 4.550 4.640 -0.011 0.000 0.205 15 D C 1.987 178.100 176.300 -0.312 0.000 0.970 15 D CA 1.098 54.800 54.000 -0.495 0.000 0.851 15 D CB -0.279 40.258 40.800 -0.439 0.000 0.943 15 D HN 0.442 nan 8.370 nan 0.000 0.488 16 N N -0.161 118.381 118.700 -0.263 0.000 2.250 16 N HA -0.049 4.685 4.740 -0.011 0.000 0.181 16 N C 2.040 177.468 175.510 -0.137 0.000 1.017 16 N CA 0.370 53.324 53.050 -0.160 0.000 0.866 16 N CB -0.059 38.356 38.487 -0.120 0.000 0.985 16 N HN 0.301 nan 8.380 nan 0.000 0.429 17 L N 0.967 122.076 121.223 -0.191 0.000 2.056 17 L HA -0.075 4.259 4.340 -0.011 0.000 0.207 17 L C 2.717 179.566 176.870 -0.035 0.000 1.078 17 L CA 0.876 55.658 54.840 -0.097 0.000 0.749 17 L CB -0.308 41.674 42.059 -0.129 0.000 0.901 17 L HN 0.129 nan 8.230 nan 0.000 0.433 18 R N 0.492 120.900 120.500 -0.153 0.000 2.080 18 R HA -0.174 4.160 4.340 -0.011 0.000 0.236 18 R C 1.127 177.409 176.300 -0.030 0.000 1.137 18 R CA 1.975 58.032 56.100 -0.072 0.000 0.943 18 R CB -0.139 30.032 30.300 -0.215 0.000 0.846 18 R HN 0.322 nan 8.270 nan 0.000 0.431 19 D N -1.090 119.272 120.400 -0.064 0.000 2.324 19 D HA 0.032 4.665 4.640 -0.011 0.000 0.235 19 D C 0.878 177.169 176.300 -0.015 0.000 1.095 19 D CA 0.650 54.632 54.000 -0.031 0.000 0.871 19 D CB 0.843 41.614 40.800 -0.047 0.000 0.906 19 D HN 0.541 nan 8.370 nan 0.000 0.522 20 G N -0.599 108.198 108.800 -0.005 0.000 3.192 20 G HA2 0.351 4.304 3.960 -0.011 0.000 0.239 20 G HA3 0.351 4.304 3.960 -0.011 0.000 0.239 20 G C 1.181 176.103 174.900 0.036 0.000 1.084 20 G CA 0.197 45.304 45.100 0.012 0.000 0.784 20 G HN 0.345 nan 8.290 nan 0.000 0.540 21 G N -0.820 108.007 108.800 0.045 0.000 2.211 21 G HA2 -0.206 3.748 3.960 -0.011 0.000 0.201 21 G HA3 -0.206 3.748 3.960 -0.011 0.000 0.201 21 G C 0.233 175.177 174.900 0.074 0.000 0.997 21 G CA 0.010 45.144 45.100 0.057 0.000 0.652 21 G HN 0.659 nan 8.290 nan 0.000 0.500 22 V N 1.781 121.751 119.914 0.094 0.000 2.686 22 V HA 0.601 4.714 4.120 -0.011 0.000 0.295 22 V C 1.243 177.401 176.094 0.107 0.000 1.055 22 V CA 0.515 62.890 62.300 0.125 0.000 1.050 22 V CB 1.523 33.460 31.823 0.191 0.000 0.984 22 V HN 0.581 nan 8.190 nan 0.000 0.482 23 S N 2.683 118.396 115.700 0.022 0.000 2.632 23 S HA 0.270 4.734 4.470 -0.011 0.000 0.267 23 S C 0.701 174.999 174.600 -0.503 0.000 1.276 23 S CA -0.263 57.903 58.200 -0.057 0.000 0.998 23 S CB 0.395 63.593 63.200 -0.004 0.000 0.953 23 S HN 0.513 nan 8.310 nan 0.000 0.547 24 Y N 0.914 120.771 120.300 -0.738 0.000 2.497 24 Y HA -0.001 4.544 4.550 -0.007 0.000 0.292 24 Y C 2.568 178.032 175.900 -0.727 0.000 1.137 24 Y CA 1.145 58.480 58.100 -1.275 0.000 1.285 24 Y CB -0.372 37.788 38.460 -0.499 0.000 0.991 24 Y HN 0.746 nan 8.280 nan 0.000 0.556 25 Q N 0.211 119.876 119.800 -0.225 0.000 2.245 25 Q HA -0.092 4.241 4.340 -0.011 0.000 0.201 25 Q C 0.748 176.714 176.000 -0.057 0.000 0.955 25 Q CA 1.062 56.806 55.803 -0.098 0.000 0.870 25 Q CB 0.140 28.852 28.738 -0.043 0.000 0.945 25 Q HN 0.406 nan 8.270 nan 0.000 0.461 26 N N -0.475 118.186 118.700 -0.066 0.000 2.230 26 N HA -0.018 4.715 4.740 -0.011 0.000 0.202 26 N C 0.572 176.190 175.510 0.179 0.000 1.119 26 N CA 0.034 53.120 53.050 0.060 0.000 0.851 26 N CB 0.213 38.745 38.487 0.075 0.000 0.990 26 N HN 0.220 nan 8.380 nan 0.000 0.497 27 Y N 2.131 122.463 120.300 0.055 0.000 2.014 27 Y HA -0.251 4.294 4.550 -0.008 0.000 0.272 27 Y C 2.719 178.681 175.900 0.105 0.000 1.164 27 Y CA 1.072 59.197 58.100 0.041 0.000 1.114 27 Y CB -1.267 37.193 38.460 0.000 0.000 0.961 27 Y HN -0.027 nan 8.280 nan 0.000 0.489 28 V N 0.032 120.109 119.914 0.272 0.000 2.282 28 V HA -0.344 3.770 4.120 -0.011 0.000 0.249 28 V C 2.046 178.452 176.094 0.520 0.000 1.057 28 V CA 2.590 65.042 62.300 0.253 0.000 1.032 28 V CB -1.041 30.648 31.823 -0.223 0.000 0.645 28 V HN 0.584 nan 8.190 nan 0.000 0.447 29 N N -0.015 118.895 118.700 0.351 0.000 2.069 29 N HA -0.244 4.490 4.740 -0.011 0.000 0.191 29 N C 1.945 177.608 175.510 0.256 0.000 1.031 29 N CA 2.007 55.230 53.050 0.289 0.000 0.852 29 N CB -0.140 38.461 38.487 0.190 0.000 1.018 29 N HN 0.657 nan 8.380 nan 0.000 0.423 30 E N 1.067 121.421 120.200 0.257 0.000 2.051 30 E HA -0.141 4.202 4.350 -0.011 0.000 0.192 30 E C 2.305 179.058 176.600 0.254 0.000 0.991 30 E CA 0.624 57.176 56.400 0.253 0.000 0.799 30 E CB -0.425 29.411 29.700 0.227 0.000 0.748 30 E HN 0.486 nan 8.360 nan 0.000 0.449 31 L N 0.549 121.927 121.223 0.259 0.000 2.056 31 L HA -0.136 4.198 4.340 -0.011 0.000 0.207 31 L C 2.627 179.623 176.870 0.210 0.000 1.078 31 L CA 1.079 56.064 54.840 0.241 0.000 0.749 31 L CB -0.632 41.593 42.059 0.277 0.000 0.901 31 L HN 0.059 nan 8.230 nan 0.000 0.433 32 A N 0.563 123.490 122.820 0.179 0.000 1.883 32 A HA -0.273 4.041 4.320 -0.011 0.000 0.217 32 A C 2.555 180.165 177.584 0.044 0.000 1.186 32 A CA 2.393 54.364 52.037 -0.110 0.000 0.624 32 A CB -0.874 17.864 19.000 -0.437 0.000 0.822 32 A HN 0.551 nan 8.150 nan 0.000 0.444 33 S N 0.417 116.213 115.700 0.160 0.000 2.354 33 S HA -0.200 4.264 4.470 -0.011 0.000 0.219 33 S C 1.929 176.786 174.600 0.429 0.000 1.035 33 S CA 1.722 60.132 58.200 0.349 0.000 1.037 33 S CB -1.086 62.386 63.200 0.452 0.000 0.956 33 S HN 0.452 nan 8.310 nan 0.000 0.428 34 L N 1.090 122.530 121.223 0.363 0.000 2.012 34 L HA -0.086 4.248 4.340 -0.011 0.000 0.210 34 L C 2.835 179.797 176.870 0.153 0.000 1.073 34 L CA 1.385 56.440 54.840 0.358 0.000 0.748 34 L CB -0.807 41.437 42.059 0.308 0.000 0.891 34 L HN 0.314 nan 8.230 nan 0.000 0.431 35 L N -1.314 119.958 121.223 0.081 0.000 2.079 35 L HA -0.259 4.075 4.340 -0.011 0.000 0.210 35 L C 2.601 179.389 176.870 -0.137 0.000 1.081 35 L CA 1.287 56.079 54.840 -0.080 0.000 0.752 35 L CB -0.540 41.508 42.059 -0.017 0.000 0.896 35 L HN 0.185 nan 8.230 nan 0.000 0.433 36 F N 0.818 120.702 119.950 -0.110 0.000 2.075 36 F HA -0.230 4.291 4.527 -0.010 0.000 0.297 36 F C 2.236 177.990 175.800 -0.076 0.000 1.113 36 F CA 1.571 59.512 58.000 -0.098 0.000 1.218 36 F CB -0.242 38.757 39.000 -0.001 0.000 0.984 36 F HN -0.135 nan 8.300 nan 0.000 0.472 37 L N 0.114 121.392 121.223 0.092 0.000 2.042 37 L HA -0.242 4.091 4.340 -0.011 0.000 0.210 37 L C 2.459 179.145 176.870 -0.308 0.000 1.076 37 L CA 1.849 56.724 54.840 0.059 0.000 0.749 37 L CB -0.881 41.450 42.059 0.454 0.000 0.893 37 L HN 0.115 nan 8.230 nan 0.000 0.432 38 K N 0.082 119.999 120.400 -0.806 0.000 2.057 38 K HA -0.160 4.153 4.320 -0.011 0.000 0.207 38 K C 2.074 178.226 176.600 -0.746 0.000 1.049 38 K CA 1.525 56.940 56.287 -1.455 0.000 0.931 38 K CB -0.098 31.461 32.500 -1.569 0.000 0.714 38 K HN 0.029 nan 8.250 nan 0.000 0.440 39 M N 0.200 119.460 119.600 -0.568 0.000 2.175 39 M HA -0.124 4.350 4.480 -0.011 0.000 0.264 39 M C 2.360 178.398 176.300 -0.437 0.000 1.063 39 M CA 1.097 56.128 55.300 -0.448 0.000 1.119 39 M CB -1.202 31.099 32.600 -0.498 0.000 1.377 39 M HN 0.245 nan 8.290 nan 0.000 0.415 40 C N 0.165 119.130 119.300 -0.560 0.000 2.425 40 C HA -0.149 4.305 4.460 -0.011 0.000 0.277 40 C C 2.822 177.698 174.990 -0.189 0.000 1.280 40 C CA 0.837 59.560 59.018 -0.492 0.000 1.744 40 C CB -0.896 26.555 27.740 -0.482 0.000 1.989 40 C HN 0.547 nan 8.230 nan 0.000 0.491 41 K N 0.898 121.201 120.400 -0.162 0.000 2.001 41 K HA -0.134 4.180 4.320 -0.011 0.000 0.208 41 K C 1.948 178.532 176.600 -0.025 0.000 1.048 41 K CA 1.279 57.545 56.287 -0.035 0.000 0.932 41 K CB -0.212 32.286 32.500 -0.003 0.000 0.715 41 K HN 0.360 nan 8.250 nan 0.000 0.437 42 E N 0.336 120.497 120.200 -0.065 0.000 2.273 42 E HA -0.163 4.181 4.350 -0.011 0.000 0.198 42 E C 1.854 178.512 176.600 0.097 0.000 1.002 42 E CA 1.088 57.536 56.400 0.079 0.000 0.828 42 E CB -0.348 29.510 29.700 0.264 0.000 0.747 42 E HN 0.339 nan 8.360 nan 0.000 0.491 43 T N -0.841 113.710 114.554 -0.004 0.000 2.867 43 T HA -0.012 4.332 4.350 -0.011 0.000 0.268 43 T C 1.292 176.033 174.700 0.070 0.000 1.057 43 T CA 1.556 63.658 62.100 0.003 0.000 1.136 43 T CB -0.173 68.675 68.868 -0.033 0.000 0.874 43 T HN 0.492 nan 8.240 nan 0.000 0.466 44 G N 0.746 109.594 108.800 0.081 0.000 2.141 44 G HA2 -0.225 3.729 3.960 -0.011 0.000 0.242 44 G HA3 -0.225 3.729 3.960 -0.011 0.000 0.242 44 G C 0.272 175.228 174.900 0.094 0.000 0.982 44 G CA 0.378 45.527 45.100 0.082 0.000 0.662 44 G HN 0.564 nan 8.290 nan 0.000 0.527 45 Q N -0.436 119.455 119.800 0.152 0.000 2.074 45 Q HA 0.253 4.587 4.340 -0.011 0.000 0.265 45 Q C 1.475 177.592 176.000 0.195 0.000 0.855 45 Q CA 0.449 56.326 55.803 0.124 0.000 1.083 45 Q CB 0.369 29.150 28.738 0.071 0.000 1.260 45 Q HN 0.729 nan 8.270 nan 0.000 0.427 46 E N 0.143 120.490 120.200 0.246 0.000 2.333 46 E HA -0.233 4.111 4.350 -0.011 0.000 0.200 46 E C 1.466 178.189 176.600 0.204 0.000 1.010 46 E CA 1.290 57.874 56.400 0.308 0.000 0.841 46 E CB -0.059 29.747 29.700 0.176 0.000 0.757 46 E HN 0.354 nan 8.360 nan 0.000 0.508 47 A N 1.403 124.282 122.820 0.099 0.000 2.070 47 A HA -0.186 4.128 4.320 -0.011 0.000 0.220 47 A C 1.827 179.407 177.584 -0.008 0.000 1.159 47 A CA 1.368 53.436 52.037 0.051 0.000 0.656 47 A CB -0.271 18.747 19.000 0.029 0.000 0.800 47 A HN 0.360 nan 8.150 nan 0.000 0.453 48 E N -1.996 118.124 120.200 -0.134 0.000 2.276 48 E HA -0.028 4.315 4.350 -0.011 0.000 0.193 48 E C 1.270 177.704 176.600 -0.276 0.000 0.983 48 E CA 0.729 56.955 56.400 -0.290 0.000 0.861 48 E CB -0.056 29.327 29.700 -0.529 0.000 0.817 48 E HN 0.851 nan 8.360 nan 0.000 0.485 49 Y N 0.482 120.826 120.300 0.074 0.000 2.314 49 Y HA 0.187 4.730 4.550 -0.010 0.000 0.294 49 Y C 1.159 177.148 175.900 0.149 0.000 1.139 49 Y CA 0.049 58.217 58.100 0.114 0.000 1.162 49 Y CB 0.161 38.676 38.460 0.092 0.000 1.121 49 Y HN -0.173 nan 8.280 nan 0.000 0.529 50 L N 2.930 124.343 121.223 0.317 0.000 2.334 50 L HA 0.406 4.739 4.340 -0.011 0.000 0.275 50 L C -2.383 174.607 176.870 0.201 0.000 1.036 50 L CA -2.290 52.701 54.840 0.251 0.000 0.807 50 L CB 1.189 43.394 42.059 0.244 0.000 1.231 50 L HN -0.116 nan 8.230 nan 0.000 0.438 51 P HA 0.056 nan 4.420 nan 0.000 0.275 51 P C -0.756 176.683 177.300 0.231 0.000 1.228 51 P CA -0.440 62.788 63.100 0.212 0.000 0.786 51 P CB 0.961 32.810 31.700 0.248 0.000 0.927 52 E N 1.063 121.365 120.200 0.171 0.000 2.437 52 E HA 0.188 4.531 4.350 -0.011 0.000 0.263 52 E C 1.166 177.825 176.600 0.099 0.000 1.030 52 E CA 0.901 57.372 56.400 0.118 0.000 0.934 52 E CB -0.489 29.258 29.700 0.077 0.000 0.943 52 E HN 0.785 nan 8.360 nan 0.000 0.444 53 G N 3.229 112.023 108.800 -0.010 0.000 2.253 53 G HA2 -0.300 3.654 3.960 -0.011 0.000 0.251 53 G HA3 -0.300 3.654 3.960 -0.011 0.000 0.251 53 G C -0.073 174.588 174.900 -0.397 0.000 0.998 53 G CA 0.451 45.413 45.100 -0.230 0.000 0.621 53 G HN 0.551 nan 8.290 nan 0.000 0.524 54 Y N 1.093 121.464 120.300 0.119 0.000 2.470 54 Y HA 0.626 5.170 4.550 -0.011 0.000 0.352 54 Y C 0.855 176.846 175.900 0.151 0.000 0.967 54 Y CA -0.738 57.448 58.100 0.144 0.000 1.121 54 Y CB 0.621 39.090 38.460 0.014 0.000 1.149 54 Y HN 0.216 nan 8.280 nan 0.000 0.641 55 R N -1.166 119.486 120.500 0.254 0.000 2.960 55 R HA 0.220 4.554 4.340 -0.011 0.000 0.249 55 R C 0.769 177.234 176.300 0.274 0.000 1.192 55 R CA -0.881 55.369 56.100 0.250 0.000 1.035 55 R CB 1.211 31.627 30.300 0.195 0.000 1.234 55 R HN 0.517 nan 8.270 nan 0.000 0.493 56 W N 1.352 122.698 121.300 0.077 0.000 2.304 56 W HA -0.294 4.359 4.660 -0.011 0.000 0.315 56 W C 0.456 176.991 176.519 0.026 0.000 1.233 56 W CA 2.056 59.432 57.345 0.051 0.000 1.261 56 W CB 0.022 29.492 29.460 0.017 0.000 1.150 56 W HN 0.608 nan 8.180 nan 0.000 0.494 57 D N 0.334 120.756 120.400 0.036 0.000 2.144 57 D HA -0.174 4.460 4.640 -0.011 0.000 0.199 57 D C 1.592 177.774 176.300 -0.197 0.000 0.984 57 D CA 1.615 55.543 54.000 -0.120 0.000 0.834 57 D CB -0.658 40.128 40.800 -0.023 0.000 0.955 57 D HN 0.169 nan 8.370 nan 0.000 0.465 58 D N -0.258 120.065 120.400 -0.129 0.000 2.219 58 D HA -0.109 4.525 4.640 -0.011 0.000 0.205 58 D C 2.072 178.164 176.300 -0.347 0.000 0.970 58 D CA 0.375 54.228 54.000 -0.245 0.000 0.851 58 D CB 0.057 40.800 40.800 -0.095 0.000 0.943 58 D HN 0.235 nan 8.370 nan 0.000 0.488 59 L N 0.752 121.885 121.223 -0.151 0.000 2.200 59 L HA 0.060 4.393 4.340 -0.011 0.000 0.200 59 L C 1.969 178.612 176.870 -0.379 0.000 1.072 59 L CA 1.296 56.062 54.840 -0.124 0.000 0.787 59 L CB -0.390 41.651 42.059 -0.030 0.000 0.957 59 L HN -0.269 nan 8.230 nan 0.000 0.459 60 K N -0.256 119.757 120.400 -0.646 0.000 2.152 60 K HA -0.167 4.147 4.320 -0.011 0.000 0.206 60 K C 1.972 178.340 176.600 -0.387 0.000 1.048 60 K CA 1.749 57.626 56.287 -0.684 0.000 0.933 60 K CB -0.175 31.709 32.500 -1.026 0.000 0.721 60 K HN 0.612 nan 8.250 nan 0.000 0.447 61 S N -0.022 115.482 115.700 -0.328 0.000 2.436 61 S HA -0.024 4.440 4.470 -0.011 0.000 0.228 61 S C 1.207 175.675 174.600 -0.220 0.000 1.014 61 S CA -0.134 57.922 58.200 -0.239 0.000 0.950 61 S CB -0.085 62.985 63.200 -0.218 0.000 0.784 61 S HN 0.222 nan 8.310 nan 0.000 0.504 62 R N 0.432 120.778 120.500 -0.256 0.000 2.738 62 R HA 0.675 5.008 4.340 -0.011 0.000 0.275 62 R C -0.352 175.857 176.300 -0.151 0.000 1.121 62 R CA 0.036 56.008 56.100 -0.213 0.000 1.207 62 R CB 0.402 30.549 30.300 -0.255 0.000 1.141 62 R HN 0.482 nan 8.270 nan 0.000 0.571 63 I N -0.060 120.445 120.570 -0.107 0.000 2.918 63 I HA 0.417 4.580 4.170 -0.011 0.000 0.301 63 I C -0.012 176.076 176.117 -0.048 0.000 1.312 63 I CA 0.178 61.430 61.300 -0.079 0.000 1.007 63 I CB 1.859 39.815 38.000 -0.074 0.000 1.281 63 I HN 0.818 nan 8.210 nan 0.000 0.440 64 G N 4.686 113.464 108.800 -0.036 0.000 2.575 64 G HA2 -0.267 3.687 3.960 -0.011 0.000 0.267 64 G HA3 -0.267 3.687 3.960 -0.011 0.000 0.267 64 G C 0.460 175.363 174.900 0.005 0.000 1.264 64 G CA 0.454 45.544 45.100 -0.016 0.000 0.935 64 G HN 0.663 nan 8.290 nan 0.000 0.568 65 Q N -0.168 119.640 119.800 0.013 0.000 2.181 65 Q HA -0.111 4.223 4.340 -0.011 0.000 0.205 65 Q C 2.509 178.536 176.000 0.046 0.000 0.980 65 Q CA 1.940 57.761 55.803 0.032 0.000 0.862 65 Q CB -0.256 28.497 28.738 0.026 0.000 0.905 65 Q HN 0.797 nan 8.270 nan 0.000 0.429 66 E N 0.464 120.681 120.200 0.028 0.000 2.209 66 E HA -0.231 4.112 4.350 -0.011 0.000 0.196 66 E C 1.939 178.584 176.600 0.075 0.000 0.993 66 E CA 0.987 57.408 56.400 0.035 0.000 0.819 66 E CB 0.158 29.852 29.700 -0.010 0.000 0.745 66 E HN 0.354 nan 8.360 nan 0.000 0.477 67 Q N 0.158 119.993 119.800 0.058 0.000 2.123 67 Q HA -0.065 4.269 4.340 -0.011 0.000 0.196 67 Q C 2.291 178.403 176.000 0.186 0.000 0.958 67 Q CA 0.456 56.316 55.803 0.094 0.000 0.841 67 Q CB 0.014 28.749 28.738 -0.004 0.000 0.915 67 Q HN 0.340 nan 8.270 nan 0.000 0.455 68 L N 0.557 121.863 121.223 0.138 0.000 2.046 68 L HA -0.231 4.103 4.340 -0.011 0.000 0.208 68 L C 2.236 179.220 176.870 0.190 0.000 1.077 68 L CA 1.517 56.464 54.840 0.178 0.000 0.747 68 L CB -0.078 42.051 42.059 0.117 0.000 0.896 68 L HN 0.384 nan 8.230 nan 0.000 0.432 69 Q N -1.263 118.627 119.800 0.150 0.000 2.123 69 Q HA -0.231 4.102 4.340 -0.011 0.000 0.199 69 Q C 1.991 178.081 176.000 0.149 0.000 0.966 69 Q CA 1.696 57.573 55.803 0.122 0.000 0.845 69 Q CB -0.223 28.575 28.738 0.100 0.000 0.907 69 Q HN 0.483 nan 8.270 nan 0.000 0.439 70 F N 0.179 120.177 119.950 0.080 0.000 2.186 70 F HA -0.230 4.290 4.527 -0.010 0.000 0.299 70 F C 2.092 177.991 175.800 0.164 0.000 1.090 70 F CA 0.982 59.035 58.000 0.088 0.000 1.307 70 F CB -0.210 38.814 39.000 0.040 0.000 1.019 70 F HN 0.039 nan 8.300 nan 0.000 0.489 71 Y N 1.615 121.930 120.300 0.025 0.000 2.181 71 Y HA -0.167 4.377 4.550 -0.011 0.000 0.288 71 Y C 2.521 178.362 175.900 -0.098 0.000 1.146 71 Y CA 1.764 59.839 58.100 -0.041 0.000 1.164 71 Y CB -0.708 37.791 38.460 0.065 0.000 0.982 71 Y HN 0.003 nan 8.280 nan 0.000 0.515 72 R N 0.187 120.629 120.500 -0.097 0.000 2.082 72 R HA -0.212 4.122 4.340 -0.011 0.000 0.234 72 R C 2.415 178.601 176.300 -0.189 0.000 1.136 72 R CA 1.920 57.915 56.100 -0.175 0.000 0.935 72 R CB -0.461 29.804 30.300 -0.058 0.000 0.842 72 R HN 0.249 nan 8.270 nan 0.000 0.430 73 K N 0.736 121.047 120.400 -0.149 0.000 2.152 73 K HA -0.177 4.136 4.320 -0.011 0.000 0.206 73 K C 2.123 178.600 176.600 -0.204 0.000 1.048 73 K CA 1.467 57.675 56.287 -0.132 0.000 0.933 73 K CB -0.037 32.415 32.500 -0.080 0.000 0.721 73 K HN 0.147 nan 8.250 nan 0.000 0.447 74 M N 0.533 119.938 119.600 -0.326 0.000 2.200 74 M HA -0.109 4.365 4.480 -0.011 0.000 0.265 74 M C 1.716 177.824 176.300 -0.320 0.000 1.066 74 M CA 1.218 56.326 55.300 -0.320 0.000 1.127 74 M CB 0.073 32.492 32.600 -0.302 0.000 1.379 74 M HN 0.169 nan 8.290 nan 0.000 0.420 75 L N -0.284 120.736 121.223 -0.339 0.000 2.083 75 L HA -0.177 4.156 4.340 -0.011 0.000 0.209 75 L C 2.224 178.981 176.870 -0.188 0.000 1.083 75 L CA 0.850 55.513 54.840 -0.294 0.000 0.752 75 L CB -0.657 41.203 42.059 -0.332 0.000 0.899 75 L HN 0.232 nan 8.230 nan 0.000 0.433 76 V N -1.437 118.372 119.914 -0.176 0.000 2.407 76 V HA -0.246 3.868 4.120 -0.011 0.000 0.245 76 V C 2.296 178.298 176.094 -0.152 0.000 1.041 76 V CA 1.582 63.804 62.300 -0.129 0.000 1.040 76 V CB -0.747 31.016 31.823 -0.100 0.000 0.671 76 V HN 0.419 nan 8.190 nan 0.000 0.455 77 H N 0.107 118.983 119.070 -0.323 0.000 2.387 77 H HA -0.050 4.499 4.556 -0.011 0.000 0.299 77 H C 2.041 177.148 175.328 -0.369 0.000 1.090 77 H CA 1.675 57.468 56.048 -0.426 0.000 1.332 77 H CB -0.036 29.201 29.762 -0.874 0.000 1.386 77 H HN 0.306 nan 8.280 nan 0.000 0.516 78 L N -1.269 119.799 121.223 -0.258 0.000 2.131 78 L HA 0.023 4.357 4.340 -0.011 0.000 0.206 78 L C 2.441 179.285 176.870 -0.043 0.000 1.087 78 L CA 0.894 55.617 54.840 -0.195 0.000 0.767 78 L CB -0.235 41.575 42.059 -0.415 0.000 0.917 78 L HN 0.373 nan 8.230 nan 0.000 0.441 79 G N -0.576 108.217 108.800 -0.013 0.000 3.061 79 G HA2 -0.011 3.943 3.960 -0.011 0.000 0.208 79 G HA3 -0.011 3.943 3.960 -0.011 0.000 0.208 79 G C 0.362 175.280 174.900 0.029 0.000 1.175 79 G CA 0.035 45.182 45.100 0.080 0.000 0.812 79 G HN 0.244 nan 8.290 nan 0.000 0.523 80 E N 1.167 121.327 120.200 -0.066 0.000 2.502 80 E HA 0.319 4.663 4.350 -0.011 0.000 0.261 80 E C -1.592 174.925 176.600 -0.138 0.000 0.974 80 E CA -0.386 55.964 56.400 -0.084 0.000 0.795 80 E CB 1.572 31.203 29.700 -0.115 0.000 1.385 80 E HN 0.545 nan 8.360 nan 0.000 0.400 81 D N -0.466 119.890 120.400 -0.074 0.000 2.808 81 D HA -0.024 4.610 4.640 -0.011 0.000 0.294 81 D C 0.102 176.385 176.300 -0.028 0.000 1.278 81 D CA -0.618 53.339 54.000 -0.072 0.000 0.756 81 D CB 0.216 40.963 40.800 -0.088 0.000 1.271 81 D HN 0.094 nan 8.370 nan 0.000 0.425 82 D N -1.007 119.382 120.400 -0.020 0.000 2.269 82 D HA -0.030 4.604 4.640 -0.011 0.000 0.208 82 D C 0.455 176.759 176.300 0.006 0.000 0.963 82 D CA 0.792 54.787 54.000 -0.008 0.000 0.864 82 D CB 0.133 40.929 40.800 -0.006 0.000 0.936 82 D HN 0.241 nan 8.370 nan 0.000 0.505 83 K N 0.944 121.355 120.400 0.019 0.000 3.277 83 K HA 0.024 4.338 4.320 -0.011 0.000 0.291 83 K C 1.209 177.840 176.600 0.052 0.000 0.994 83 K CA 0.010 56.322 56.287 0.042 0.000 1.147 83 K CB 0.030 32.567 32.500 0.062 0.000 1.185 83 K HN -0.015 nan 8.250 nan 0.000 0.422 84 K N 0.331 120.748 120.400 0.029 0.000 2.397 84 K HA -0.238 4.076 4.320 -0.011 0.000 0.202 84 K C 1.459 178.084 176.600 0.042 0.000 1.043 84 K CA 1.059 57.359 56.287 0.022 0.000 0.934 84 K CB -0.420 32.077 32.500 -0.006 0.000 0.743 84 K HN 0.400 nan 8.250 nan 0.000 0.485 85 L N 0.222 121.484 121.223 0.065 0.000 1.955 85 L HA -0.230 4.104 4.340 -0.011 0.000 0.213 85 L C 2.212 179.146 176.870 0.106 0.000 1.072 85 L CA 1.494 56.386 54.840 0.087 0.000 0.755 85 L CB -0.294 41.833 42.059 0.114 0.000 0.888 85 L HN -0.055 nan 8.230 nan 0.000 0.432 86 V N -0.334 119.677 119.914 0.162 0.000 2.453 86 V HA -0.273 3.840 4.120 -0.011 0.000 0.247 86 V C 2.326 178.544 176.094 0.206 0.000 1.048 86 V CA 1.708 64.146 62.300 0.231 0.000 1.049 86 V CB -0.749 31.272 31.823 0.330 0.000 0.672 86 V HN 0.615 nan 8.190 nan 0.000 0.457 87 Q N 2.066 121.958 119.800 0.153 0.000 2.197 87 Q HA -0.218 4.115 4.340 -0.011 0.000 0.207 87 Q C 1.966 178.026 176.000 0.099 0.000 0.984 87 Q CA 2.665 58.549 55.803 0.135 0.000 0.869 87 Q CB -0.635 28.146 28.738 0.071 0.000 0.906 87 Q HN 0.521 nan 8.270 nan 0.000 0.426 88 A N 0.150 122.990 122.820 0.034 0.000 1.933 88 A HA -0.082 4.232 4.320 -0.011 0.000 0.218 88 A C 2.250 179.798 177.584 -0.061 0.000 1.175 88 A CA 1.544 53.569 52.037 -0.021 0.000 0.628 88 A CB -0.623 18.352 19.000 -0.043 0.000 0.814 88 A HN 0.308 nan 8.150 nan 0.000 0.444 89 V N -2.066 117.748 119.914 -0.166 0.000 3.041 89 V HA -0.058 4.055 4.120 -0.011 0.000 0.260 89 V C 1.167 176.843 176.094 -0.697 0.000 1.105 89 V CA 1.219 63.226 62.300 -0.488 0.000 1.125 89 V CB -0.754 30.587 31.823 -0.803 0.000 0.730 89 V HN 0.557 nan 8.190 nan 0.000 0.479 90 F N -1.798 118.125 119.950 -0.045 0.000 2.724 90 F HA 0.336 4.857 4.527 -0.011 0.000 0.310 90 F C 0.947 176.749 175.800 0.004 0.000 1.107 90 F CA -0.754 57.229 58.000 -0.028 0.000 1.218 90 F CB -0.029 38.954 39.000 -0.028 0.000 1.042 90 F HN 0.127 nan 8.300 nan 0.000 0.540 91 H N 1.863 120.956 119.070 0.038 0.000 2.848 91 H HA 0.073 4.623 4.556 -0.011 0.000 0.317 91 H C 0.494 175.827 175.328 0.008 0.000 1.046 91 H CA 0.716 56.776 56.048 0.019 0.000 1.470 91 H CB 0.144 29.905 29.762 -0.001 0.000 1.483 91 H HN 0.456 nan 8.280 nan 0.000 0.548 92 N N 1.981 120.408 118.700 -0.455 0.000 2.741 92 N HA -0.228 4.506 4.740 -0.011 0.000 0.251 92 N C -0.139 175.296 175.510 -0.125 0.000 1.112 92 N CA 0.534 53.381 53.050 -0.339 0.000 0.750 92 N CB -0.800 37.442 38.487 -0.409 0.000 1.119 92 N HN 0.414 nan 8.380 nan 0.000 0.561 93 V N -1.122 118.761 119.914 -0.053 0.000 2.481 93 V HA 0.854 4.968 4.120 -0.011 0.000 0.286 93 V C 0.318 176.410 176.094 -0.004 0.000 1.042 93 V CA 0.007 62.312 62.300 0.009 0.000 0.928 93 V CB 1.922 33.795 31.823 0.083 0.000 0.986 93 V HN 0.226 nan 8.190 nan 0.000 0.462 94 S N 2.264 117.962 115.700 -0.004 0.000 2.537 94 S HA 0.556 5.020 4.470 -0.011 0.000 0.270 94 S C -0.434 174.165 174.600 -0.001 0.000 1.142 94 S CA -0.326 57.852 58.200 -0.037 0.000 0.870 94 S CB 1.410 64.587 63.200 -0.040 0.000 1.112 94 S HN 1.282 nan 8.310 nan 0.000 0.466 95 T N 0.821 115.359 114.554 -0.027 0.000 2.913 95 T HA 0.521 4.865 4.350 -0.011 0.000 0.287 95 T C 1.008 175.760 174.700 0.085 0.000 1.008 95 T CA 0.256 62.406 62.100 0.083 0.000 1.067 95 T CB 0.596 69.583 68.868 0.198 0.000 0.996 95 T HN 1.039 nan 8.240 nan 0.000 0.513 96 T N 2.217 116.839 114.554 0.114 0.000 3.215 96 T HA 0.399 4.743 4.350 -0.011 0.000 0.271 96 T C 0.535 175.295 174.700 0.100 0.000 1.012 96 T CA -0.406 61.748 62.100 0.090 0.000 0.899 96 T CB -0.615 68.303 68.868 0.082 0.000 1.089 96 T HN 0.524 nan 8.240 nan 0.000 0.552 97 I N 2.348 122.993 120.570 0.125 0.000 2.428 97 I HA 0.253 4.417 4.170 -0.011 0.000 0.289 97 I C 1.119 177.291 176.117 0.092 0.000 1.019 97 I CA -0.389 60.979 61.300 0.113 0.000 1.351 97 I CB 1.596 39.680 38.000 0.139 0.000 1.412 97 I HN 0.262 nan 8.210 nan 0.000 0.513 98 T N 1.456 116.051 114.554 0.068 0.000 2.989 98 T HA 0.124 4.468 4.350 -0.011 0.000 0.250 98 T C 0.504 175.230 174.700 0.043 0.000 0.981 98 T CA -0.232 61.900 62.100 0.054 0.000 0.980 98 T CB 0.105 69.000 68.868 0.045 0.000 1.133 98 T HN 0.458 nan 8.240 nan 0.000 0.489 99 E N 3.517 123.739 120.200 0.036 0.000 2.070 99 E HA 0.121 4.464 4.350 -0.011 0.000 0.282 99 E C -1.571 175.040 176.600 0.019 0.000 1.104 99 E CA -2.051 54.362 56.400 0.022 0.000 0.876 99 E CB 1.141 30.849 29.700 0.013 0.000 1.055 99 E HN 0.223 nan 8.360 nan 0.000 0.401 100 P HA -0.216 nan 4.420 nan 0.000 0.217 100 P C 0.653 177.950 177.300 -0.005 0.000 1.148 100 P CA 1.289 64.397 63.100 0.013 0.000 0.828 100 P CB 0.321 32.030 31.700 0.014 0.000 0.783 101 K N -0.720 119.675 120.400 -0.008 0.000 2.217 101 K HA -0.071 4.243 4.320 -0.011 0.000 0.202 101 K C 2.362 178.947 176.600 -0.026 0.000 1.051 101 K CA 0.790 57.065 56.287 -0.019 0.000 0.952 101 K CB -0.126 32.364 32.500 -0.017 0.000 0.736 101 K HN 0.104 nan 8.250 nan 0.000 0.453 102 Q N 0.789 120.577 119.800 -0.021 0.000 2.123 102 Q HA -0.055 4.279 4.340 -0.011 0.000 0.199 102 Q C 2.100 178.079 176.000 -0.035 0.000 0.966 102 Q CA 0.973 56.758 55.803 -0.029 0.000 0.845 102 Q CB -0.137 28.589 28.738 -0.020 0.000 0.907 102 Q HN 0.392 nan 8.270 nan 0.000 0.439 103 I N 0.473 121.025 120.570 -0.031 0.000 2.252 103 I HA -0.244 3.919 4.170 -0.011 0.000 0.245 103 I C 1.566 177.634 176.117 -0.081 0.000 1.102 103 I CA 1.206 62.472 61.300 -0.058 0.000 1.385 103 I CB -0.003 37.960 38.000 -0.061 0.000 1.064 103 I HN 0.127 nan 8.210 nan 0.000 0.414 104 T N 1.248 115.760 114.554 -0.070 0.000 2.759 104 T HA -0.151 4.193 4.350 -0.011 0.000 0.269 104 T C 1.857 176.517 174.700 -0.066 0.000 1.042 104 T CA 1.425 63.477 62.100 -0.079 0.000 1.140 104 T CB -0.383 68.447 68.868 -0.064 0.000 0.864 104 T HN 0.560 nan 8.240 nan 0.000 0.455 105 A N 0.457 123.246 122.820 -0.052 0.000 2.014 105 A HA 0.185 4.498 4.320 -0.011 0.000 0.218 105 A C 2.236 179.797 177.584 -0.038 0.000 1.163 105 A CA 0.736 52.746 52.037 -0.045 0.000 0.652 105 A CB -0.544 18.428 19.000 -0.046 0.000 0.808 105 A HN 0.468 nan 8.150 nan 0.000 0.449 106 L N -0.613 120.587 121.223 -0.039 0.000 2.071 106 L HA -0.079 4.255 4.340 -0.011 0.000 0.201 106 L C 2.468 179.353 176.870 0.026 0.000 1.076 106 L CA 1.040 55.870 54.840 -0.017 0.000 0.755 106 L CB -0.265 41.781 42.059 -0.021 0.000 0.915 106 L HN 0.232 nan 8.230 nan 0.000 0.445 107 V N 0.214 120.127 119.914 -0.002 0.000 2.324 107 V HA -0.316 3.797 4.120 -0.011 0.000 0.250 107 V C 2.718 178.865 176.094 0.087 0.000 1.060 107 V CA 2.151 64.474 62.300 0.037 0.000 1.042 107 V CB -0.810 30.893 31.823 -0.200 0.000 0.650 107 V HN 0.676 nan 8.190 nan 0.000 0.450 108 S N -0.364 115.339 115.700 0.005 0.000 2.406 108 S HA -0.168 4.295 4.470 -0.011 0.000 0.228 108 S C 1.874 176.503 174.600 0.048 0.000 1.020 108 S CA 1.200 59.412 58.200 0.019 0.000 0.965 108 S CB -0.568 62.617 63.200 -0.025 0.000 0.798 108 S HN 0.594 nan 8.310 nan 0.000 0.488 109 N N 2.597 121.318 118.700 0.036 0.000 2.039 109 N HA -0.071 4.663 4.740 -0.011 0.000 0.193 109 N C 1.965 177.508 175.510 0.055 0.000 1.044 109 N CA 2.084 55.151 53.050 0.028 0.000 0.847 109 N CB -0.381 38.110 38.487 0.007 0.000 1.030 109 N HN 0.774 nan 8.380 nan 0.000 0.422 110 M N -0.958 118.698 119.600 0.094 0.000 2.492 110 M HA 0.066 4.540 4.480 -0.011 0.000 0.262 110 M C 1.291 177.652 176.300 0.102 0.000 1.090 110 M CA 1.283 56.641 55.300 0.097 0.000 1.110 110 M CB -0.124 32.541 32.600 0.109 0.000 1.407 110 M HN -0.224 nan 8.290 nan 0.000 0.470 111 D N 1.903 122.423 120.400 0.201 0.000 2.178 111 D HA -0.118 4.516 4.640 -0.011 0.000 0.201 111 D C 1.387 177.734 176.300 0.079 0.000 0.980 111 D CA 1.696 55.846 54.000 0.250 0.000 0.842 111 D CB 0.107 41.115 40.800 0.347 0.000 0.948 111 D HN 0.568 nan 8.370 nan 0.000 0.472 112 S N -0.023 115.705 115.700 0.048 0.000 2.618 112 S HA 0.196 4.660 4.470 -0.011 0.000 0.242 112 S C 0.755 175.345 174.600 -0.018 0.000 0.972 112 S CA -0.786 57.413 58.200 -0.001 0.000 1.004 112 S CB -0.776 62.425 63.200 0.001 0.000 0.778 112 S HN 0.394 nan 8.310 nan 0.000 0.459 113 L N -0.461 120.755 121.223 -0.012 0.000 2.431 113 L HA 0.645 4.978 4.340 -0.011 0.000 0.260 113 L C -0.258 176.595 176.870 -0.029 0.000 1.098 113 L CA -0.698 54.150 54.840 0.014 0.000 0.800 113 L CB 0.817 42.921 42.059 0.076 0.000 1.210 113 L HN 0.024 nan 8.230 nan 0.000 0.465 114 D N 0.573 121.006 120.400 0.056 0.000 2.385 114 D HA 0.174 4.808 4.640 -0.011 0.000 0.254 114 D C -0.377 176.089 176.300 0.277 0.000 1.053 114 D CA -0.535 53.485 54.000 0.033 0.000 0.992 114 D CB 1.253 42.142 40.800 0.148 0.000 1.145 114 D HN 0.742 nan 8.370 nan 0.000 0.523 115 W N 1.706 123.135 121.300 0.215 0.000 3.435 115 W HA -0.019 4.634 4.660 -0.011 0.000 0.303 115 W C 1.265 177.857 176.519 0.122 0.000 1.297 115 W CA -0.892 56.621 57.345 0.279 0.000 1.638 115 W CB -0.348 29.197 29.460 0.142 0.000 1.015 115 W HN 0.554 nan 8.180 nan 0.000 0.760 116 Y N 2.006 122.415 120.300 0.182 0.000 2.096 116 Y HA -0.306 4.237 4.550 -0.011 0.000 0.278 116 Y C 0.663 176.574 175.900 0.018 0.000 1.192 116 Y CA 1.780 59.924 58.100 0.073 0.000 1.143 116 Y CB -0.402 38.079 38.460 0.034 0.000 0.963 116 Y HN -0.194 nan 8.280 nan 0.000 0.505 117 N N 0.958 119.630 118.700 -0.046 0.000 2.406 117 N HA 0.419 5.153 4.740 -0.011 0.000 0.251 117 N C -0.120 175.264 175.510 -0.210 0.000 1.069 117 N CA 0.575 53.489 53.050 -0.227 0.000 0.947 117 N CB 1.295 39.647 38.487 -0.224 0.000 1.111 117 N HN 0.491 nan 8.380 nan 0.000 0.497 118 G N -0.068 108.648 108.800 -0.139 0.000 3.058 118 G HA2 0.912 4.866 3.960 -0.011 0.000 0.282 118 G HA3 0.912 4.866 3.960 -0.011 0.000 0.282 118 G C -1.460 173.371 174.900 -0.114 0.000 1.248 118 G CA -0.177 44.885 45.100 -0.063 0.000 0.822 118 G HN 0.711 nan 8.290 nan 0.000 0.579 119 A N -2.142 120.604 122.820 -0.124 0.000 2.428 119 A HA 0.605 4.919 4.320 -0.011 0.000 0.304 119 A C -1.163 176.329 177.584 -0.154 0.000 1.085 119 A CA -0.768 51.189 52.037 -0.133 0.000 0.605 119 A CB -0.130 18.835 19.000 -0.058 0.000 1.393 119 A HN 0.777 nan 8.150 nan 0.000 0.541 120 H N 0.559 119.593 119.070 -0.060 0.000 2.964 120 H HA 0.400 4.950 4.556 -0.011 0.000 0.328 120 H C 1.120 176.400 175.328 -0.081 0.000 1.030 120 H CA 1.951 57.965 56.048 -0.055 0.000 1.445 120 H CB 0.258 29.996 29.762 -0.040 0.000 1.449 120 H HN 1.912 nan 8.280 nan 0.000 0.581 121 G N 2.300 111.099 108.800 -0.001 0.000 2.829 121 G HA2 -0.242 3.711 3.960 -0.011 0.000 0.628 121 G HA3 -0.242 3.711 3.960 -0.011 0.000 0.628 121 G C -0.293 174.487 174.900 -0.200 0.000 1.412 121 G CA -0.318 44.737 45.100 -0.075 0.000 0.864 121 G HN 0.726 nan 8.290 nan 0.000 0.544 122 K N -0.187 120.046 120.400 -0.278 0.000 2.350 122 K HA 0.455 4.768 4.320 -0.011 0.000 0.279 122 K C 0.295 176.739 176.600 -0.260 0.000 1.027 122 K CA 0.295 56.306 56.287 -0.460 0.000 0.969 122 K CB 0.146 32.347 32.500 -0.499 0.000 0.954 122 K HN 0.400 nan 8.250 nan 0.000 0.474 123 S N 4.508 120.090 115.700 -0.196 0.000 3.158 123 S HA 0.185 4.649 4.470 -0.011 0.000 0.215 123 S C 0.668 175.351 174.600 0.138 0.000 1.359 123 S CA -0.612 57.564 58.200 -0.040 0.000 0.974 123 S CB 0.349 63.520 63.200 -0.049 0.000 1.336 123 S HN 0.591 nan 8.310 nan 0.000 0.488 124 R N 1.634 122.159 120.500 0.042 0.000 2.115 124 R HA -0.093 4.241 4.340 -0.011 0.000 0.230 124 R C 1.842 178.228 176.300 0.144 0.000 1.111 124 R CA 1.481 57.636 56.100 0.091 0.000 0.976 124 R CB -0.272 29.991 30.300 -0.061 0.000 0.870 124 R HN 0.586 nan 8.270 nan 0.000 0.445 125 D N 1.124 121.548 120.400 0.040 0.000 2.144 125 D HA -0.200 4.433 4.640 -0.011 0.000 0.199 125 D C 0.968 177.276 176.300 0.015 0.000 0.984 125 D CA 1.221 55.214 54.000 -0.012 0.000 0.834 125 D CB -0.353 40.412 40.800 -0.059 0.000 0.955 125 D HN 0.072 nan 8.370 nan 0.000 0.465 126 D N 0.092 120.499 120.400 0.012 0.000 2.117 126 D HA -0.106 4.528 4.640 -0.011 0.000 0.197 126 D C 2.036 178.291 176.300 -0.075 0.000 0.987 126 D CA 0.676 54.629 54.000 -0.078 0.000 0.829 126 D CB -0.674 40.000 40.800 -0.209 0.000 0.961 126 D HN 0.274 nan 8.370 nan 0.000 0.460 127 F N 1.202 121.171 119.950 0.032 0.000 2.134 127 F HA -0.033 4.487 4.527 -0.011 0.000 0.299 127 F C 2.645 178.507 175.800 0.104 0.000 1.097 127 F CA 1.332 59.377 58.000 0.075 0.000 1.264 127 F CB -0.887 38.144 39.000 0.051 0.000 1.001 127 F HN 0.012 nan 8.300 nan 0.000 0.479 128 G N -0.855 108.090 108.800 0.243 0.000 2.418 128 G HA2 -0.288 3.666 3.960 -0.011 0.000 0.217 128 G HA3 -0.288 3.666 3.960 -0.011 0.000 0.217 128 G C 1.398 176.419 174.900 0.202 0.000 1.158 128 G CA 1.166 46.374 45.100 0.180 0.000 0.771 128 G HN 0.296 nan 8.290 nan 0.000 0.545 129 D N 0.119 120.585 120.400 0.110 0.000 2.117 129 D HA -0.082 4.552 4.640 -0.011 0.000 0.198 129 D C 2.562 178.929 176.300 0.111 0.000 0.982 129 D CA 0.708 54.764 54.000 0.092 0.000 0.828 129 D CB -0.144 40.675 40.800 0.031 0.000 0.967 129 D HN 0.119 nan 8.370 nan 0.000 0.464 130 M N -0.509 119.151 119.600 0.101 0.000 2.159 130 M HA -0.154 4.320 4.480 -0.011 0.000 0.263 130 M C 2.124 178.513 176.300 0.149 0.000 1.063 130 M CA 0.881 56.238 55.300 0.094 0.000 1.110 130 M CB -1.297 31.338 32.600 0.057 0.000 1.374 130 M HN 0.178 nan 8.290 nan 0.000 0.411 131 Y N 1.933 122.292 120.300 0.097 0.000 2.128 131 Y HA -0.219 4.325 4.550 -0.010 0.000 0.284 131 Y C 2.305 178.268 175.900 0.104 0.000 1.154 131 Y CA 1.787 59.956 58.100 0.116 0.000 1.149 131 Y CB -0.100 38.436 38.460 0.127 0.000 0.976 131 Y HN 0.225 nan 8.280 nan 0.000 0.505 132 E N -0.327 119.960 120.200 0.144 0.000 2.072 132 E HA -0.141 4.202 4.350 -0.011 0.000 0.191 132 E C 2.458 179.060 176.600 0.003 0.000 0.985 132 E CA 1.122 57.557 56.400 0.059 0.000 0.801 132 E CB -0.874 28.913 29.700 0.144 0.000 0.750 132 E HN 0.618 nan 8.360 nan 0.000 0.452 133 G N 1.514 110.335 108.800 0.035 0.000 2.418 133 G HA2 -0.238 3.716 3.960 -0.011 0.000 0.217 133 G HA3 -0.238 3.716 3.960 -0.011 0.000 0.217 133 G C 1.636 176.543 174.900 0.012 0.000 1.158 133 G CA 0.722 45.840 45.100 0.031 0.000 0.771 133 G HN 0.221 nan 8.290 nan 0.000 0.545 134 L N 0.395 121.614 121.223 -0.007 0.000 2.093 134 L HA 0.166 4.500 4.340 -0.011 0.000 0.208 134 L C 2.502 179.355 176.870 -0.029 0.000 1.085 134 L CA 1.255 56.098 54.840 0.005 0.000 0.755 134 L CB -0.365 41.705 42.059 0.019 0.000 0.904 134 L HN 0.244 nan 8.230 nan 0.000 0.435 135 L N -0.916 120.228 121.223 -0.131 0.000 2.083 135 L HA -0.250 4.084 4.340 -0.011 0.000 0.209 135 L C 2.563 179.418 176.870 -0.025 0.000 1.083 135 L CA 1.688 56.450 54.840 -0.130 0.000 0.752 135 L CB -0.253 41.674 42.059 -0.221 0.000 0.899 135 L HN 0.536 nan 8.230 nan 0.000 0.433 136 Q N 0.053 119.856 119.800 0.006 0.000 2.084 136 Q HA -0.264 4.069 4.340 -0.011 0.000 0.202 136 Q C 2.111 178.106 176.000 -0.009 0.000 0.978 136 Q CA 1.750 57.581 55.803 0.047 0.000 0.844 136 Q CB 0.045 28.829 28.738 0.076 0.000 0.898 136 Q HN 0.489 nan 8.270 nan 0.000 0.426 137 K N 0.334 120.736 120.400 0.004 0.000 2.057 137 K HA -0.159 4.155 4.320 -0.011 0.000 0.207 137 K C 2.001 178.599 176.600 -0.002 0.000 1.049 137 K CA 1.371 57.659 56.287 0.001 0.000 0.931 137 K CB -0.257 32.274 32.500 0.051 0.000 0.714 137 K HN 0.348 nan 8.250 nan 0.000 0.440 138 N N 0.715 119.430 118.700 0.025 0.000 2.142 138 N HA -0.134 4.599 4.740 -0.011 0.000 0.186 138 N C 1.808 177.294 175.510 -0.040 0.000 1.023 138 N CA 0.998 54.063 53.050 0.024 0.000 0.852 138 N CB 0.038 38.547 38.487 0.037 0.000 0.998 138 N HN 0.139 nan 8.380 nan 0.000 0.424 139 A N 1.215 124.004 122.820 -0.051 0.000 1.978 139 A HA -0.121 4.193 4.320 -0.011 0.000 0.220 139 A C 1.947 179.377 177.584 -0.257 0.000 1.170 139 A CA 1.151 53.146 52.037 -0.071 0.000 0.636 139 A CB -0.426 18.630 19.000 0.093 0.000 0.810 139 A HN 0.399 nan 8.150 nan 0.000 0.448 140 N N -0.153 118.342 118.700 -0.342 0.000 2.354 140 N HA -0.059 4.674 4.740 -0.011 0.000 0.179 140 N C 0.697 176.124 175.510 -0.139 0.000 1.021 140 N CA 0.376 53.152 53.050 -0.455 0.000 0.887 140 N CB -0.029 38.228 38.487 -0.384 0.000 0.974 140 N HN 0.744 nan 8.380 nan 0.000 0.437 141 E N 0.772 120.941 120.200 -0.053 0.000 2.338 141 E HA -0.007 4.337 4.350 -0.011 0.000 0.272 141 E C 1.019 177.690 176.600 0.117 0.000 1.029 141 E CA -0.062 56.347 56.400 0.015 0.000 0.872 141 E CB 1.118 30.820 29.700 0.003 0.000 1.015 141 E HN -0.004 nan 8.360 nan 0.000 0.417 142 T N 3.986 118.614 114.554 0.122 0.000 2.668 142 T HA -0.140 4.204 4.350 -0.011 0.000 0.262 142 T C 1.460 176.235 174.700 0.126 0.000 1.045 142 T CA 1.348 63.551 62.100 0.172 0.000 1.152 142 T CB -0.001 68.855 68.868 -0.020 0.000 0.864 142 T HN 0.397 nan 8.240 nan 0.000 0.419 143 K N 1.831 122.225 120.400 -0.011 0.000 2.144 143 K HA -0.128 4.185 4.320 -0.011 0.000 0.209 143 K C 2.742 179.314 176.600 -0.046 0.000 1.047 143 K CA 1.832 58.078 56.287 -0.070 0.000 0.927 143 K CB -1.199 31.176 32.500 -0.207 0.000 0.716 143 K HN 0.720 nan 8.250 nan 0.000 0.454 144 S N -0.660 115.016 115.700 -0.040 0.000 2.356 144 S HA -0.080 4.384 4.470 -0.011 0.000 0.223 144 S C 1.817 176.407 174.600 -0.018 0.000 1.032 144 S CA 1.702 59.879 58.200 -0.038 0.000 1.005 144 S CB -0.523 62.654 63.200 -0.039 0.000 0.867 144 S HN 0.499 nan 8.310 nan 0.000 0.449 145 G N 0.683 109.490 108.800 0.011 0.000 2.195 145 G HA2 -0.194 3.760 3.960 -0.011 0.000 0.246 145 G HA3 -0.194 3.760 3.960 -0.011 0.000 0.246 145 G C 1.015 175.804 174.900 -0.185 0.000 0.984 145 G CA 0.456 45.544 45.100 -0.019 0.000 0.633 145 G HN 1.357 nan 8.290 nan 0.000 0.525 146 A N 0.621 123.325 122.820 -0.192 0.000 2.067 146 A HA 0.374 4.688 4.320 -0.011 0.000 0.219 146 A C 2.704 180.103 177.584 -0.307 0.000 1.158 146 A CA 2.037 53.971 52.037 -0.172 0.000 0.661 146 A CB -0.849 18.099 19.000 -0.087 0.000 0.801 146 A HN 1.646 nan 8.150 nan 0.000 0.452 147 G N -0.880 107.463 108.800 -0.762 0.000 2.479 147 G HA2 -0.229 3.725 3.960 -0.011 0.000 0.220 147 G HA3 -0.229 3.725 3.960 -0.011 0.000 0.220 147 G C 1.434 175.923 174.900 -0.685 0.000 1.115 147 G CA 0.896 45.272 45.100 -1.207 0.000 0.757 147 G HN 0.484 nan 8.290 nan 0.000 0.560 148 Q N -0.115 119.365 119.800 -0.533 0.000 2.061 148 Q HA -0.113 4.220 4.340 -0.011 0.000 0.204 148 Q C 0.507 176.425 176.000 -0.136 0.000 0.984 148 Q CA 0.970 56.617 55.803 -0.260 0.000 0.846 148 Q CB -0.319 28.181 28.738 -0.396 0.000 0.902 148 Q HN 0.578 nan 8.270 nan 0.000 0.421 149 Y N -0.208 120.095 120.300 0.005 0.000 2.849 149 Y HA 0.269 4.815 4.550 -0.006 0.000 0.356 149 Y C -0.687 175.299 175.900 0.142 0.000 1.236 149 Y CA -1.363 56.774 58.100 0.061 0.000 1.508 149 Y CB -0.397 38.077 38.460 0.024 0.000 1.619 149 Y HN -0.085 nan 8.280 nan 0.000 0.513 150 F N 0.448 120.516 119.950 0.196 0.000 2.547 150 F HA 0.732 5.252 4.527 -0.012 0.000 0.316 150 F C -0.798 175.117 175.800 0.192 0.000 1.121 150 F CA -0.678 57.402 58.000 0.133 0.000 0.911 150 F CB 1.668 40.709 39.000 0.069 0.000 1.179 150 F HN -0.080 nan 8.300 nan 0.000 0.443 151 T N 6.502 120.504 114.554 -0.919 0.000 2.928 151 T HA 0.357 4.701 4.350 -0.011 0.000 0.296 151 T C -2.889 171.155 174.700 -1.094 0.000 1.000 151 T CA -1.360 60.271 62.100 -0.782 0.000 0.989 151 T CB 1.796 70.533 68.868 -0.218 0.000 1.005 151 T HN 0.309 nan 8.240 nan 0.000 0.442 152 P HA 0.027 nan 4.420 nan 0.000 0.256 152 P C 1.126 178.248 177.300 -0.298 0.000 1.173 152 P CA -0.064 62.735 63.100 -0.501 0.000 0.768 152 P CB 0.460 32.006 31.700 -0.257 0.000 0.758 153 R N 7.436 127.816 120.500 -0.201 0.000 2.112 153 R HA -0.173 4.160 4.340 -0.011 0.000 0.242 153 R C -0.734 175.483 176.300 -0.138 0.000 1.137 153 R CA 2.436 58.441 56.100 -0.158 0.000 0.944 153 R CB -2.030 28.230 30.300 -0.068 0.000 0.857 153 R HN 0.435 nan 8.270 nan 0.000 0.435 154 P HA -0.157 nan 4.420 nan 0.000 0.221 154 P C 1.522 178.777 177.300 -0.074 0.000 1.145 154 P CA 0.948 63.981 63.100 -0.113 0.000 0.795 154 P CB -0.119 31.469 31.700 -0.186 0.000 0.775 155 L N -0.623 120.578 121.223 -0.037 0.000 2.095 155 L HA 0.010 4.344 4.340 -0.011 0.000 0.204 155 L C 2.595 179.448 176.870 -0.029 0.000 1.080 155 L CA 1.305 56.163 54.840 0.030 0.000 0.759 155 L CB -0.999 41.080 42.059 0.033 0.000 0.914 155 L HN -0.213 nan 8.230 nan 0.000 0.439 156 I N -0.335 120.111 120.570 -0.206 0.000 2.113 156 I HA -0.340 3.824 4.170 -0.011 0.000 0.238 156 I C 2.553 178.564 176.117 -0.178 0.000 1.070 156 I CA 1.643 62.701 61.300 -0.403 0.000 1.332 156 I CB -0.523 37.082 38.000 -0.659 0.000 1.044 156 I HN 0.321 nan 8.210 nan 0.000 0.402 157 K N 0.790 121.108 120.400 -0.137 0.000 2.034 157 K HA -0.249 4.064 4.320 -0.011 0.000 0.214 157 K C 2.056 178.657 176.600 0.003 0.000 1.051 157 K CA 2.541 58.790 56.287 -0.063 0.000 0.931 157 K CB -0.242 32.213 32.500 -0.075 0.000 0.715 157 K HN 0.263 nan 8.250 nan 0.000 0.446 158 T N 1.712 116.273 114.554 0.012 0.000 2.720 158 T HA -0.129 4.215 4.350 -0.011 0.000 0.268 158 T C 1.919 176.692 174.700 0.123 0.000 1.037 158 T CA 1.601 63.745 62.100 0.074 0.000 1.144 158 T CB -0.160 68.761 68.868 0.088 0.000 0.864 158 T HN 0.226 nan 8.240 nan 0.000 0.444 159 I N 0.238 120.903 120.570 0.159 0.000 2.179 159 I HA -0.149 4.015 4.170 -0.011 0.000 0.242 159 I C 2.104 178.300 176.117 0.131 0.000 1.088 159 I CA 1.175 62.614 61.300 0.233 0.000 1.357 159 I CB -0.295 37.912 38.000 0.345 0.000 1.051 159 I HN 0.170 nan 8.210 nan 0.000 0.409 160 I N 0.101 120.719 120.570 0.080 0.000 2.394 160 I HA -0.283 3.881 4.170 -0.011 0.000 0.251 160 I C 2.492 178.472 176.117 -0.228 0.000 1.136 160 I CA 1.513 62.790 61.300 -0.038 0.000 1.425 160 I CB -0.808 37.178 38.000 -0.023 0.000 1.079 160 I HN 0.231 nan 8.210 nan 0.000 0.425 161 H N 0.295 119.239 119.070 -0.211 0.000 2.389 161 H HA -0.034 4.515 4.556 -0.011 0.000 0.299 161 H C 1.961 177.146 175.328 -0.238 0.000 1.081 161 H CA 1.678 57.588 56.048 -0.230 0.000 1.345 161 H CB -0.034 29.680 29.762 -0.080 0.000 1.393 161 H HN 0.263 nan 8.280 nan 0.000 0.520 162 L N -0.426 120.631 121.223 -0.278 0.000 2.418 162 L HA 0.009 4.342 4.340 -0.011 0.000 0.218 162 L C 1.908 178.642 176.870 -0.227 0.000 1.125 162 L CA 0.280 54.886 54.840 -0.390 0.000 0.835 162 L CB 0.013 41.706 42.059 -0.610 0.000 0.953 162 L HN 0.287 nan 8.230 nan 0.000 0.454 163 L N -0.584 120.541 121.223 -0.163 0.000 2.307 163 L HA 0.008 4.342 4.340 -0.011 0.000 0.211 163 L C 0.552 177.313 176.870 -0.181 0.000 1.099 163 L CA 0.163 54.941 54.840 -0.104 0.000 0.816 163 L CB -0.068 41.964 42.059 -0.045 0.000 0.952 163 L HN 0.137 nan 8.230 nan 0.000 0.455 164 K N 0.377 120.562 120.400 -0.359 0.000 3.689 164 K HA -0.149 4.165 4.320 -0.011 0.000 0.276 164 K C -2.281 174.243 176.600 -0.127 0.000 0.932 164 K CA -0.222 55.831 56.287 -0.389 0.000 0.758 164 K CB -1.444 30.970 32.500 -0.142 0.000 1.500 164 K HN 0.231 nan 8.250 nan 0.000 0.448 165 P HA -0.043 nan 4.420 nan 0.000 0.267 165 P C -0.274 177.145 177.300 0.198 0.000 1.205 165 P CA 0.374 63.524 63.100 0.084 0.000 0.765 165 P CB 0.837 32.623 31.700 0.144 0.000 0.828 166 Q N 3.619 123.499 119.800 0.133 0.000 2.215 166 Q HA 0.453 4.786 4.340 -0.011 0.000 0.256 166 Q C -2.074 173.987 176.000 0.101 0.000 0.972 166 Q CA -2.167 53.708 55.803 0.120 0.000 0.889 166 Q CB 0.622 29.397 28.738 0.061 0.000 1.281 166 Q HN 0.406 nan 8.270 nan 0.000 0.456 167 P HA 0.079 nan 4.420 nan 0.000 0.270 167 P C 0.057 177.370 177.300 0.022 0.000 1.223 167 P CA 0.074 63.231 63.100 0.094 0.000 0.785 167 P CB 0.720 32.473 31.700 0.088 0.000 0.923 168 R N -2.006 118.525 120.500 0.051 0.000 3.840 168 R HA -0.128 4.206 4.340 -0.011 0.000 0.464 168 R C -0.261 175.990 176.300 -0.081 0.000 0.986 168 R CA 1.109 57.056 56.100 -0.255 0.000 1.305 168 R CB -1.698 28.386 30.300 -0.360 0.000 1.950 168 R HN 0.681 nan 8.270 nan 0.000 0.526 169 E N 0.966 121.212 120.200 0.077 0.000 2.197 169 E HA 0.346 4.690 4.350 -0.011 0.000 0.281 169 E C -0.273 176.505 176.600 0.297 0.000 0.995 169 E CA -0.527 55.952 56.400 0.132 0.000 0.808 169 E CB 1.938 31.667 29.700 0.048 0.000 1.093 169 E HN -0.145 nan 8.360 nan 0.000 0.394 170 V N 4.176 124.408 119.914 0.531 0.000 2.408 170 V HA 0.077 4.190 4.120 -0.011 0.000 0.267 170 V C -0.019 176.131 176.094 0.093 0.000 1.047 170 V CA -0.439 61.978 62.300 0.194 0.000 0.937 170 V CB 1.019 32.949 31.823 0.178 0.000 0.999 170 V HN 0.397 nan 8.190 nan 0.000 0.472 171 V N 6.005 125.912 119.914 -0.011 0.000 2.370 171 V HA 0.389 4.503 4.120 -0.011 0.000 0.279 171 V C 0.083 176.235 176.094 0.097 0.000 1.029 171 V CA -0.394 61.960 62.300 0.091 0.000 0.870 171 V CB 1.280 33.245 31.823 0.237 0.000 0.984 171 V HN 0.929 nan 8.190 nan 0.000 0.451 172 Q N 3.015 122.851 119.800 0.061 0.000 2.257 172 Q HA 0.445 4.779 4.340 -0.011 0.000 0.262 172 Q C -1.468 174.553 176.000 0.035 0.000 0.997 172 Q CA -0.656 55.176 55.803 0.049 0.000 0.873 172 Q CB 2.064 30.820 28.738 0.030 0.000 1.312 172 Q HN 0.745 nan 8.270 nan 0.000 0.450 173 D N 3.400 123.818 120.400 0.030 0.000 2.358 173 D HA 0.274 4.907 4.640 -0.011 0.000 0.253 173 D C -2.205 174.094 176.300 -0.001 0.000 1.288 173 D CA -1.828 52.164 54.000 -0.013 0.000 0.950 173 D CB 1.847 42.639 40.800 -0.013 0.000 1.197 173 D HN 0.302 nan 8.370 nan 0.000 0.550 174 P HA -0.025 nan 4.420 nan 0.000 0.219 174 P C 0.154 177.519 177.300 0.109 0.000 1.146 174 P CA 0.827 63.967 63.100 0.065 0.000 0.808 174 P CB 0.418 32.222 31.700 0.173 0.000 0.779 175 A N -1.479 121.345 122.820 0.006 0.000 3.201 175 A HA 0.645 4.958 4.320 -0.011 0.000 0.312 175 A C 1.535 178.992 177.584 -0.212 0.000 1.011 175 A CA 0.156 52.137 52.037 -0.093 0.000 0.987 175 A CB -0.478 18.389 19.000 -0.221 0.000 1.060 175 A HN 0.053 nan 8.150 nan 0.000 0.505 176 A N 0.492 123.220 122.820 -0.153 0.000 1.909 176 A HA 0.166 4.479 4.320 -0.011 0.000 0.221 176 A C 2.325 179.753 177.584 -0.261 0.000 1.223 176 A CA 2.554 54.504 52.037 -0.145 0.000 0.658 176 A CB -1.054 17.890 19.000 -0.093 0.000 0.831 176 A HN 2.401 nan 8.150 nan 0.000 0.462 177 G N -2.301 106.200 108.800 -0.498 0.000 2.543 177 G HA2 -0.336 3.617 3.960 -0.011 0.000 0.286 177 G HA3 -0.336 3.617 3.960 -0.011 0.000 0.286 177 G C 0.918 175.656 174.900 -0.269 0.000 1.153 177 G CA 1.701 46.365 45.100 -0.726 0.000 0.968 177 G HN 1.720 nan 8.290 nan 0.000 0.544 178 T N -1.392 113.076 114.554 -0.143 0.000 3.244 178 T HA 0.623 4.966 4.350 -0.011 0.000 0.254 178 T C 1.364 176.038 174.700 -0.043 0.000 1.024 178 T CA 1.518 63.592 62.100 -0.044 0.000 0.920 178 T CB 0.142 69.019 68.868 0.015 0.000 1.042 178 T HN 2.586 nan 8.240 nan 0.000 0.572 179 A N 0.111 122.894 122.820 -0.062 0.000 2.872 179 A HA -0.111 4.203 4.320 -0.011 0.000 0.273 179 A C 1.811 179.357 177.584 -0.064 0.000 1.442 179 A CA 0.972 52.981 52.037 -0.048 0.000 0.801 179 A CB -2.361 16.607 19.000 -0.054 0.000 1.031 179 A HN 0.940 nan 8.150 nan 0.000 0.582 180 G N -1.146 107.618 108.800 -0.059 0.000 2.446 180 G HA2 -0.037 3.916 3.960 -0.011 0.000 0.217 180 G HA3 -0.037 3.916 3.960 -0.011 0.000 0.217 180 G C 1.100 175.877 174.900 -0.205 0.000 1.168 180 G CA 1.599 46.608 45.100 -0.151 0.000 0.771 180 G HN 0.660 nan 8.290 nan 0.000 0.551 181 F N 0.522 120.411 119.950 -0.102 0.000 2.206 181 F HA 0.149 4.669 4.527 -0.012 0.000 0.298 181 F C 2.619 178.365 175.800 -0.091 0.000 1.090 181 F CA 0.614 58.565 58.000 -0.081 0.000 1.323 181 F CB -0.217 38.748 39.000 -0.058 0.000 1.028 181 F HN 0.017 nan 8.300 nan 0.000 0.492 182 L N -0.898 120.367 121.223 0.071 0.000 2.027 182 L HA -0.213 4.120 4.340 -0.011 0.000 0.206 182 L C 2.306 178.988 176.870 -0.314 0.000 1.074 182 L CA 0.830 55.631 54.840 -0.065 0.000 0.745 182 L CB -0.637 41.400 42.059 -0.037 0.000 0.898 182 L HN 0.057 nan 8.230 nan 0.000 0.433 183 I N 0.249 120.645 120.570 -0.291 0.000 2.163 183 I HA -0.280 3.883 4.170 -0.011 0.000 0.243 183 I C 2.597 178.518 176.117 -0.327 0.000 1.085 183 I CA 1.405 62.457 61.300 -0.413 0.000 1.347 183 I CB -0.425 37.273 38.000 -0.502 0.000 1.044 183 I HN 0.229 nan 8.210 nan 0.000 0.408 184 E N 0.655 120.721 120.200 -0.223 0.000 2.106 184 E HA -0.141 4.203 4.350 -0.011 0.000 0.192 184 E C 2.199 178.776 176.600 -0.039 0.000 0.984 184 E CA 1.459 57.781 56.400 -0.130 0.000 0.806 184 E CB -0.285 29.329 29.700 -0.145 0.000 0.750 184 E HN 0.421 nan 8.360 nan 0.000 0.458 185 A N 0.434 123.231 122.820 -0.037 0.000 1.930 185 A HA -0.175 4.139 4.320 -0.011 0.000 0.217 185 A C 2.086 179.722 177.584 0.087 0.000 1.175 185 A CA 1.837 53.932 52.037 0.098 0.000 0.627 185 A CB -0.787 18.348 19.000 0.224 0.000 0.815 185 A HN 0.396 nan 8.150 nan 0.000 0.443 186 D N -0.749 119.466 120.400 -0.308 0.000 2.117 186 D HA -0.163 4.471 4.640 -0.011 0.000 0.198 186 D C 2.115 178.392 176.300 -0.038 0.000 0.982 186 D CA 1.272 55.075 54.000 -0.328 0.000 0.828 186 D CB -0.187 40.164 40.800 -0.748 0.000 0.967 186 D HN 0.390 nan 8.370 nan 0.000 0.464 187 R N -1.178 119.291 120.500 -0.052 0.000 2.081 187 R HA -0.209 4.125 4.340 -0.011 0.000 0.235 187 R C 2.211 178.552 176.300 0.067 0.000 1.131 187 R CA 1.289 57.393 56.100 0.008 0.000 0.960 187 R CB -0.548 29.746 30.300 -0.011 0.000 0.856 187 R HN 0.346 nan 8.270 nan 0.000 0.436 188 Y N 0.667 120.974 120.300 0.012 0.000 2.145 188 Y HA -0.215 4.329 4.550 -0.010 0.000 0.286 188 Y C 2.069 178.010 175.900 0.068 0.000 1.145 188 Y CA 1.727 59.855 58.100 0.047 0.000 1.148 188 Y CB -0.245 38.254 38.460 0.066 0.000 0.981 188 Y HN -0.161 nan 8.280 nan 0.000 0.507 189 V N 0.646 120.715 119.914 0.259 0.000 2.343 189 V HA -0.323 3.791 4.120 -0.011 0.000 0.247 189 V C 2.200 178.330 176.094 0.061 0.000 1.051 189 V CA 2.345 64.760 62.300 0.192 0.000 1.036 189 V CB -0.580 31.430 31.823 0.312 0.000 0.654 189 V HN 0.334 nan 8.190 nan 0.000 0.451 190 K N 0.754 121.188 120.400 0.058 0.000 2.148 190 K HA -0.122 4.192 4.320 -0.011 0.000 0.204 190 K C 2.203 178.785 176.600 -0.031 0.000 1.050 190 K CA 1.549 57.851 56.287 0.025 0.000 0.942 190 K CB -0.290 32.230 32.500 0.033 0.000 0.724 190 K HN 0.629 nan 8.250 nan 0.000 0.446 191 S N 0.430 116.078 115.700 -0.085 0.000 2.603 191 S HA -0.047 4.416 4.470 -0.011 0.000 0.229 191 S C 1.308 175.810 174.600 -0.164 0.000 0.972 191 S CA 0.578 58.703 58.200 -0.126 0.000 0.935 191 S CB 0.125 63.226 63.200 -0.165 0.000 0.769 191 S HN 0.177 nan 8.310 nan 0.000 0.536 192 Q N 0.875 120.576 119.800 -0.165 0.000 2.189 192 Q HA 0.174 4.507 4.340 -0.011 0.000 0.223 192 Q C 0.610 176.576 176.000 -0.058 0.000 0.828 192 Q CA 0.765 56.484 55.803 -0.140 0.000 0.967 192 Q CB 1.020 29.645 28.738 -0.189 0.000 1.139 192 Q HN 0.820 nan 8.270 nan 0.000 0.497 193 T N -3.778 110.756 114.554 -0.033 0.000 3.541 193 T HA 0.194 4.538 4.350 -0.011 0.000 0.309 193 T C -0.122 174.577 174.700 -0.001 0.000 0.973 193 T CA -0.494 61.603 62.100 -0.004 0.000 0.993 193 T CB -0.324 68.557 68.868 0.022 0.000 1.206 193 T HN 0.096 nan 8.240 nan 0.000 0.489 194 N N 3.391 122.083 118.700 -0.012 0.000 2.714 194 N HA -0.144 4.589 4.740 -0.011 0.000 0.253 194 N C -0.730 174.782 175.510 0.004 0.000 1.024 194 N CA 1.052 54.098 53.050 -0.007 0.000 0.726 194 N CB -1.344 37.140 38.487 -0.004 0.000 0.908 194 N HN 0.605 nan 8.380 nan 0.000 0.542 195 D N -0.454 119.951 120.400 0.007 0.000 2.708 195 D HA -0.238 4.396 4.640 -0.011 0.000 0.236 195 D C 0.670 176.990 176.300 0.033 0.000 1.146 195 D CA 1.296 55.308 54.000 0.020 0.000 0.662 195 D CB -0.810 39.999 40.800 0.014 0.000 1.059 195 D HN 0.679 nan 8.370 nan 0.000 0.428 196 L N -2.191 119.057 121.223 0.041 0.000 5.060 196 L HA -0.281 4.053 4.340 -0.011 0.000 0.408 196 L C 1.228 178.123 176.870 0.041 0.000 0.917 196 L CA 1.387 56.259 54.840 0.053 0.000 1.627 196 L CB -1.299 40.800 42.059 0.068 0.000 1.732 196 L HN 0.114 nan 8.230 nan 0.000 0.611 197 D N 0.783 121.199 120.400 0.028 0.000 2.310 197 D HA -0.081 4.553 4.640 -0.011 0.000 0.212 197 D C 1.322 177.633 176.300 0.018 0.000 0.965 197 D CA 1.289 55.302 54.000 0.022 0.000 0.879 197 D CB 0.019 40.828 40.800 0.014 0.000 0.921 197 D HN 0.519 nan 8.370 nan 0.000 0.510 198 D N -0.169 120.242 120.400 0.018 0.000 2.349 198 D HA 0.083 4.717 4.640 -0.011 0.000 0.215 198 D C 0.577 176.888 176.300 0.018 0.000 1.016 198 D CA 0.180 54.188 54.000 0.013 0.000 0.870 198 D CB 0.469 41.274 40.800 0.008 0.000 0.917 198 D HN 0.226 nan 8.370 nan 0.000 0.524 199 L N 1.363 122.603 121.223 0.027 0.000 2.334 199 L HA 0.312 4.646 4.340 -0.011 0.000 0.272 199 L C 0.375 177.265 176.870 0.033 0.000 1.020 199 L CA -1.274 53.585 54.840 0.031 0.000 0.812 199 L CB 1.348 43.435 42.059 0.047 0.000 1.264 199 L HN -0.109 nan 8.230 nan 0.000 0.439 200 D N 1.145 121.563 120.400 0.029 0.000 2.372 200 D HA -0.006 4.628 4.640 -0.011 0.000 0.243 200 D C 1.145 177.473 176.300 0.046 0.000 1.121 200 D CA -0.047 53.972 54.000 0.030 0.000 0.898 200 D CB 1.438 42.251 40.800 0.021 0.000 1.202 200 D HN 0.697 nan 8.370 nan 0.000 0.428 201 G N 1.620 110.447 108.800 0.046 0.000 2.597 201 G HA2 -0.417 3.537 3.960 -0.011 0.000 0.222 201 G HA3 -0.417 3.537 3.960 -0.011 0.000 0.222 201 G C 1.164 176.111 174.900 0.078 0.000 1.135 201 G CA 1.453 46.589 45.100 0.059 0.000 0.759 201 G HN 0.690 nan 8.290 nan 0.000 0.595 202 D N -0.458 119.983 120.400 0.069 0.000 2.144 202 D HA -0.062 4.572 4.640 -0.011 0.000 0.200 202 D C 2.535 178.910 176.300 0.126 0.000 0.978 202 D CA 1.655 55.707 54.000 0.087 0.000 0.833 202 D CB -0.301 40.534 40.800 0.058 0.000 0.961 202 D HN 0.255 nan 8.370 nan 0.000 0.470 203 T N -0.174 114.439 114.554 0.099 0.000 2.904 203 T HA -0.101 4.242 4.350 -0.011 0.000 0.267 203 T C 1.833 176.646 174.700 0.188 0.000 1.059 203 T CA 0.890 63.066 62.100 0.126 0.000 1.137 203 T CB -0.144 68.760 68.868 0.060 0.000 0.879 203 T HN 0.302 nan 8.240 nan 0.000 0.467 204 Q N 0.768 120.653 119.800 0.142 0.000 2.119 204 Q HA -0.131 4.203 4.340 -0.011 0.000 0.201 204 Q C 1.909 178.007 176.000 0.162 0.000 0.972 204 Q CA 1.466 57.350 55.803 0.136 0.000 0.847 204 Q CB -0.219 28.579 28.738 0.100 0.000 0.903 204 Q HN 0.487 nan 8.270 nan 0.000 0.433 205 D N 0.080 120.594 120.400 0.190 0.000 2.178 205 D HA -0.134 4.500 4.640 -0.011 0.000 0.202 205 D C 1.335 177.801 176.300 0.277 0.000 0.974 205 D CA 0.699 54.855 54.000 0.259 0.000 0.841 205 D CB -0.097 40.838 40.800 0.225 0.000 0.953 205 D HN 0.114 nan 8.370 nan 0.000 0.478 206 F N 1.266 121.287 119.950 0.118 0.000 2.102 206 F HA -0.183 4.338 4.527 -0.010 0.000 0.298 206 F C 2.169 178.005 175.800 0.059 0.000 1.105 206 F CA 1.201 59.252 58.000 0.084 0.000 1.239 206 F CB -0.054 38.970 39.000 0.041 0.000 0.991 206 F HN -0.152 nan 8.300 nan 0.000 0.474 207 Q N 0.293 120.185 119.800 0.154 0.000 2.226 207 Q HA -0.134 4.200 4.340 -0.011 0.000 0.204 207 Q C 2.452 178.501 176.000 0.081 0.000 0.975 207 Q CA 1.623 57.482 55.803 0.094 0.000 0.866 207 Q CB -0.362 28.502 28.738 0.211 0.000 0.915 207 Q HN 0.539 nan 8.270 nan 0.000 0.440 208 I N -0.610 119.967 120.570 0.012 0.000 2.480 208 I HA -0.169 3.994 4.170 -0.011 0.000 0.251 208 I C 1.759 177.684 176.117 -0.321 0.000 1.124 208 I CA 0.852 62.068 61.300 -0.138 0.000 1.444 208 I CB -0.051 37.808 38.000 -0.235 0.000 1.098 208 I HN 0.225 nan 8.210 nan 0.000 0.428 209 H N -0.302 118.741 119.070 -0.045 0.000 2.855 209 H HA 0.292 4.841 4.556 -0.011 0.000 0.259 209 H C 1.429 176.644 175.328 -0.188 0.000 0.972 209 H CA 0.247 56.250 56.048 -0.074 0.000 1.213 209 H CB 0.908 30.644 29.762 -0.042 0.000 1.451 209 H HN 0.239 nan 8.280 nan 0.000 0.484 210 R N -0.145 120.149 120.500 -0.343 0.000 2.517 210 R HA 0.301 4.635 4.340 -0.011 0.000 0.265 210 R C 1.953 177.776 176.300 -0.796 0.000 0.921 210 R CA 0.567 56.313 56.100 -0.590 0.000 1.054 210 R CB 0.680 30.495 30.300 -0.809 0.000 1.340 210 R HN 0.024 nan 8.270 nan 0.000 0.551 211 A N 1.181 123.465 122.820 -0.894 0.000 1.933 211 A HA 0.001 4.315 4.320 -0.011 0.000 0.218 211 A C 0.324 177.333 177.584 -0.958 0.000 1.175 211 A CA 1.087 52.584 52.037 -0.900 0.000 0.628 211 A CB -0.085 18.313 19.000 -1.004 0.000 0.814 211 A HN 0.110 nan 8.150 nan 0.000 0.444 212 F N -0.953 118.947 119.950 -0.083 0.000 2.507 212 F HA 0.711 5.232 4.527 -0.011 0.000 0.325 212 F C -0.256 175.516 175.800 -0.048 0.000 1.116 212 F CA -0.901 57.078 58.000 -0.035 0.000 0.930 212 F CB 1.495 40.483 39.000 -0.020 0.000 1.146 212 F HN -0.120 nan 8.300 nan 0.000 0.447 213 I N 1.602 122.240 120.570 0.114 0.000 2.686 213 I HA 0.749 4.913 4.170 -0.011 0.000 0.295 213 I C -0.135 176.007 176.117 0.042 0.000 1.114 213 I CA -0.723 60.602 61.300 0.041 0.000 1.038 213 I CB 2.408 40.398 38.000 -0.018 0.000 1.238 213 I HN 0.758 nan 8.210 nan 0.000 0.420 214 G N 4.295 113.103 108.800 0.013 0.000 2.680 214 G HA2 0.793 4.746 3.960 -0.011 0.000 0.290 214 G HA3 0.793 4.746 3.960 -0.011 0.000 0.290 214 G C -2.177 172.710 174.900 -0.022 0.000 1.355 214 G CA -0.529 44.571 45.100 0.000 0.000 0.903 214 G HN 0.358 nan 8.290 nan 0.000 0.474 215 L N 0.068 121.275 121.223 -0.026 0.000 2.516 215 L HA 0.767 5.100 4.340 -0.011 0.000 0.267 215 L C -1.285 175.572 176.870 -0.023 0.000 0.957 215 L CA -0.695 54.129 54.840 -0.027 0.000 0.860 215 L CB 2.243 44.277 42.059 -0.040 0.000 1.265 215 L HN 0.607 nan 8.230 nan 0.000 0.403 216 E N 3.153 123.346 120.200 -0.013 0.000 2.234 216 E HA 0.358 4.702 4.350 -0.011 0.000 0.266 216 E C -0.326 176.298 176.600 0.039 0.000 0.877 216 E CA -0.542 55.853 56.400 -0.009 0.000 0.758 216 E CB 1.839 31.515 29.700 -0.039 0.000 1.170 216 E HN 0.601 nan 8.360 nan 0.000 0.415 217 L N 4.231 125.501 121.223 0.078 0.000 2.068 217 L HA 0.243 4.577 4.340 -0.011 0.000 0.204 217 L C 0.032 176.953 176.870 0.084 0.000 1.076 217 L CA 1.015 55.907 54.840 0.086 0.000 0.753 217 L CB 0.289 42.416 42.059 0.115 0.000 0.910 217 L HN 0.464 nan 8.230 nan 0.000 0.439 218 V N 3.144 123.123 119.914 0.108 0.000 2.397 218 V HA 0.109 4.223 4.120 -0.011 0.000 0.262 218 V C -1.068 175.069 176.094 0.073 0.000 1.047 218 V CA -0.723 61.633 62.300 0.094 0.000 1.003 218 V CB 0.195 32.094 31.823 0.127 0.000 1.037 218 V HN 0.308 nan 8.190 nan 0.000 0.480 219 P HA -0.179 nan 4.420 nan 0.000 0.216 219 P C 1.596 178.921 177.300 0.042 0.000 1.150 219 P CA 1.872 65.000 63.100 0.047 0.000 0.843 219 P CB 0.307 32.012 31.700 0.009 0.000 0.787 220 G N -0.369 108.456 108.800 0.042 0.000 2.421 220 G HA2 -0.214 3.740 3.960 -0.011 0.000 0.216 220 G HA3 -0.214 3.740 3.960 -0.011 0.000 0.216 220 G C 1.582 176.519 174.900 0.062 0.000 1.171 220 G CA 1.518 46.647 45.100 0.048 0.000 0.775 220 G HN 0.212 nan 8.290 nan 0.000 0.543 221 T N 0.220 114.819 114.554 0.076 0.000 2.777 221 T HA -0.056 4.287 4.350 -0.011 0.000 0.266 221 T C 2.306 177.030 174.700 0.041 0.000 1.040 221 T CA 1.030 63.176 62.100 0.078 0.000 1.141 221 T CB -0.132 68.805 68.868 0.115 0.000 0.868 221 T HN 0.226 nan 8.240 nan 0.000 0.444 222 R N 1.184 121.705 120.500 0.034 0.000 2.127 222 R HA -0.102 4.232 4.340 -0.011 0.000 0.238 222 R C 2.382 178.692 176.300 0.017 0.000 1.134 222 R CA 1.292 57.404 56.100 0.020 0.000 0.975 222 R CB -0.109 30.215 30.300 0.039 0.000 0.865 222 R HN 0.393 nan 8.270 nan 0.000 0.447 223 R N -0.010 120.502 120.500 0.021 0.000 2.070 223 R HA -0.128 4.206 4.340 -0.011 0.000 0.233 223 R C 2.407 178.697 176.300 -0.018 0.000 1.137 223 R CA 1.452 57.543 56.100 -0.015 0.000 0.945 223 R CB -0.511 29.775 30.300 -0.023 0.000 0.845 223 R HN 0.103 nan 8.270 nan 0.000 0.430 224 L N 0.780 122.026 121.223 0.039 0.000 2.043 224 L HA -0.200 4.134 4.340 -0.011 0.000 0.212 224 L C 2.555 179.468 176.870 0.072 0.000 1.075 224 L CA 2.071 56.971 54.840 0.101 0.000 0.752 224 L CB -0.898 41.255 42.059 0.156 0.000 0.891 224 L HN 0.238 nan 8.230 nan 0.000 0.432 225 A N -0.919 121.922 122.820 0.035 0.000 1.933 225 A HA -0.153 4.160 4.320 -0.011 0.000 0.218 225 A C 2.348 179.934 177.584 0.002 0.000 1.175 225 A CA 1.517 53.562 52.037 0.012 0.000 0.628 225 A CB -0.728 18.261 19.000 -0.018 0.000 0.814 225 A HN 0.384 nan 8.150 nan 0.000 0.444 226 L N -1.318 119.896 121.223 -0.015 0.000 2.056 226 L HA -0.189 4.145 4.340 -0.011 0.000 0.207 226 L C 2.822 179.662 176.870 -0.051 0.000 1.078 226 L CA 1.501 56.320 54.840 -0.035 0.000 0.749 226 L CB -0.422 41.604 42.059 -0.056 0.000 0.901 226 L HN 0.445 nan 8.230 nan 0.000 0.433 227 M N -0.880 118.678 119.600 -0.071 0.000 2.229 227 M HA -0.183 4.291 4.480 -0.011 0.000 0.264 227 M C 1.955 178.254 176.300 -0.003 0.000 1.063 227 M CA 1.317 56.559 55.300 -0.098 0.000 1.114 227 M CB -0.455 32.046 32.600 -0.166 0.000 1.387 227 M HN 0.223 nan 8.290 nan 0.000 0.420 228 N N 0.501 119.237 118.700 0.060 0.000 2.084 228 N HA -0.127 4.607 4.740 -0.011 0.000 0.190 228 N C 1.547 177.170 175.510 0.189 0.000 1.030 228 N CA 1.584 54.724 53.050 0.150 0.000 0.849 228 N CB -0.309 38.247 38.487 0.114 0.000 1.012 228 N HN 0.342 nan 8.380 nan 0.000 0.423 229 C N 0.481 119.827 119.300 0.075 0.000 2.446 229 C HA 0.022 4.476 4.460 -0.011 0.000 0.277 229 C C 2.689 177.718 174.990 0.066 0.000 1.275 229 C CA 0.046 59.097 59.018 0.054 0.000 1.727 229 C CB -1.270 26.472 27.740 0.003 0.000 2.010 229 C HN 0.500 nan 8.230 nan 0.000 0.486 230 L N 0.815 122.054 121.223 0.027 0.000 2.013 230 L HA -0.131 4.203 4.340 -0.011 0.000 0.212 230 L C 2.021 178.894 176.870 0.005 0.000 1.073 230 L CA 2.191 57.035 54.840 0.006 0.000 0.753 230 L CB -1.004 41.038 42.059 -0.027 0.000 0.890 230 L HN 0.260 nan 8.230 nan 0.000 0.432 231 L N -0.750 120.468 121.223 -0.007 0.000 2.610 231 L HA -0.060 4.273 4.340 -0.011 0.000 0.232 231 L C 1.929 178.688 176.870 -0.185 0.000 1.149 231 L CA 0.796 55.589 54.840 -0.079 0.000 0.872 231 L CB -0.840 41.160 42.059 -0.097 0.000 0.992 231 L HN 0.301 nan 8.230 nan 0.000 0.447 232 H N -0.712 118.344 119.070 -0.023 0.000 2.672 232 H HA 0.129 4.679 4.556 -0.011 0.000 0.277 232 H C -0.134 175.169 175.328 -0.042 0.000 1.074 232 H CA 0.037 56.063 56.048 -0.037 0.000 1.173 232 H CB 0.570 30.296 29.762 -0.060 0.000 1.558 232 H HN 0.213 nan 8.280 nan 0.000 0.539 233 D N 0.571 120.996 120.400 0.041 0.000 2.907 233 D HA -0.175 4.459 4.640 -0.011 0.000 0.226 233 D C 0.015 176.313 176.300 -0.002 0.000 1.141 233 D CA 0.507 54.515 54.000 0.013 0.000 0.779 233 D CB -1.659 39.148 40.800 0.012 0.000 1.095 233 D HN 0.460 nan 8.370 nan 0.000 0.430 234 I N 1.040 121.611 120.570 0.003 0.000 2.347 234 I HA 0.085 4.249 4.170 -0.011 0.000 0.283 234 I C 1.557 177.657 176.117 -0.029 0.000 1.058 234 I CA -0.364 60.929 61.300 -0.012 0.000 1.202 234 I CB 0.888 38.877 38.000 -0.018 0.000 1.386 234 I HN -0.124 nan 8.210 nan 0.000 0.475 235 E N 4.116 124.255 120.200 -0.101 0.000 2.190 235 E HA 0.124 4.468 4.350 -0.011 0.000 0.191 235 E C 1.444 178.046 176.600 0.003 0.000 0.978 235 E CA 0.440 56.796 56.400 -0.073 0.000 0.839 235 E CB 0.203 29.816 29.700 -0.145 0.000 0.787 235 E HN 0.874 nan 8.360 nan 0.000 0.473 236 G N 2.259 111.053 108.800 -0.010 0.000 2.575 236 G HA2 -0.366 3.587 3.960 -0.011 0.000 0.267 236 G HA3 -0.366 3.587 3.960 -0.011 0.000 0.267 236 G C -0.277 174.720 174.900 0.162 0.000 1.264 236 G CA 0.080 45.220 45.100 0.067 0.000 0.935 236 G HN 0.394 nan 8.290 nan 0.000 0.568 237 N N 0.097 118.872 118.700 0.126 0.000 2.437 237 N HA 0.433 5.166 4.740 -0.011 0.000 0.259 237 N C 1.714 177.301 175.510 0.129 0.000 0.983 237 N CA -0.643 52.495 53.050 0.147 0.000 0.937 237 N CB 0.572 39.168 38.487 0.182 0.000 1.122 237 N HN 0.469 nan 8.380 nan 0.000 0.499 238 L N 2.870 124.147 121.223 0.091 0.000 2.261 238 L HA -0.162 4.171 4.340 -0.011 0.000 0.216 238 L C 1.309 178.173 176.870 -0.009 0.000 1.114 238 L CA 1.090 55.956 54.840 0.043 0.000 0.777 238 L CB -0.185 41.894 42.059 0.032 0.000 0.910 238 L HN 0.629 nan 8.230 nan 0.000 0.440 239 D N -1.336 119.043 120.400 -0.035 0.000 2.218 239 D HA -0.141 4.493 4.640 -0.011 0.000 0.204 239 D C 1.626 177.715 176.300 -0.353 0.000 0.976 239 D CA 1.083 54.964 54.000 -0.198 0.000 0.853 239 D CB 0.071 40.712 40.800 -0.264 0.000 0.939 239 D HN 0.392 nan 8.370 nan 0.000 0.481 240 H N -2.060 116.989 119.070 -0.035 0.000 2.592 240 H HA 0.353 4.902 4.556 -0.011 0.000 0.279 240 H C 1.456 176.738 175.328 -0.077 0.000 1.089 240 H CA 0.611 56.627 56.048 -0.052 0.000 1.150 240 H CB 1.256 30.999 29.762 -0.032 0.000 1.575 240 H HN 0.177 nan 8.280 nan 0.000 0.547 241 G N 0.482 109.285 108.800 0.005 0.000 2.241 241 G HA2 -0.190 3.764 3.960 -0.011 0.000 0.244 241 G HA3 -0.190 3.764 3.960 -0.011 0.000 0.244 241 G C 0.673 175.576 174.900 0.004 0.000 0.998 241 G CA 0.048 45.127 45.100 -0.034 0.000 0.621 241 G HN 0.928 nan 8.290 nan 0.000 0.519 242 G N -1.691 107.136 108.800 0.045 0.000 2.332 242 G HA2 0.525 4.478 3.960 -0.011 0.000 0.265 242 G HA3 0.525 4.478 3.960 -0.011 0.000 0.265 242 G C 0.819 175.745 174.900 0.043 0.000 1.329 242 G CA 1.225 46.350 45.100 0.042 0.000 0.949 242 G HN 1.674 nan 8.290 nan 0.000 0.476 243 A N -0.798 122.040 122.820 0.031 0.000 1.933 243 A HA 0.351 4.665 4.320 -0.011 0.000 0.218 243 A C 1.157 178.750 177.584 0.016 0.000 1.175 243 A CA 1.761 53.817 52.037 0.033 0.000 0.628 243 A CB -0.398 18.630 19.000 0.046 0.000 0.814 243 A HN 0.859 nan 8.150 nan 0.000 0.444 244 I N 0.793 121.367 120.570 0.007 0.000 2.304 244 I HA 0.253 4.416 4.170 -0.011 0.000 0.291 244 I C 0.427 176.543 176.117 -0.002 0.000 1.018 244 I CA -0.121 61.176 61.300 -0.004 0.000 1.260 244 I CB 1.261 39.254 38.000 -0.011 0.000 1.390 244 I HN 0.170 nan 8.210 nan 0.000 0.475 245 R N 5.373 125.864 120.500 -0.015 0.000 2.500 245 R HA 0.514 4.847 4.340 -0.011 0.000 0.275 245 R C -0.739 175.567 176.300 0.011 0.000 1.051 245 R CA -0.985 55.113 56.100 -0.004 0.000 1.088 245 R CB 1.242 31.507 30.300 -0.058 0.000 1.063 245 R HN 0.427 nan 8.270 nan 0.000 0.511 246 L N 2.082 123.327 121.223 0.036 0.000 2.264 246 L HA 0.574 4.908 4.340 -0.011 0.000 0.289 246 L C -0.141 176.760 176.870 0.051 0.000 1.044 246 L CA 0.641 55.514 54.840 0.057 0.000 0.807 246 L CB 0.665 42.790 42.059 0.109 0.000 1.192 246 L HN 0.917 nan 8.230 nan 0.000 0.425 247 G N 4.019 112.842 108.800 0.038 0.000 2.324 247 G HA2 -0.012 3.942 3.960 -0.011 0.000 0.293 247 G HA3 -0.012 3.942 3.960 -0.011 0.000 0.293 247 G C -1.817 173.091 174.900 0.013 0.000 1.297 247 G CA -0.860 44.255 45.100 0.026 0.000 0.853 247 G HN 0.594 nan 8.290 nan 0.000 0.535 248 N N -0.350 118.348 118.700 -0.004 0.000 2.426 248 N HA 0.464 5.198 4.740 -0.011 0.000 0.257 248 N C 1.344 176.801 175.510 -0.089 0.000 1.002 248 N CA 0.322 53.358 53.050 -0.023 0.000 0.942 248 N CB 1.469 39.948 38.487 -0.012 0.000 1.112 248 N HN 0.355 nan 8.380 nan 0.000 0.499 249 T N 3.227 117.686 114.554 -0.158 0.000 2.881 249 T HA -0.051 4.292 4.350 -0.011 0.000 0.270 249 T C 1.290 175.783 174.700 -0.344 0.000 1.068 249 T CA 1.028 62.915 62.100 -0.355 0.000 1.131 249 T CB -0.072 68.465 68.868 -0.552 0.000 0.871 249 T HN 0.502 nan 8.240 nan 0.000 0.479 250 L N 0.472 121.540 121.223 -0.259 0.000 2.629 250 L HA 0.350 4.684 4.340 -0.011 0.000 0.230 250 L C 1.384 178.239 176.870 -0.026 0.000 1.151 250 L CA -0.502 54.288 54.840 -0.084 0.000 0.924 250 L CB -0.252 41.750 42.059 -0.095 0.000 1.137 250 L HN 0.209 nan 8.230 nan 0.000 0.457 251 G N -1.114 107.648 108.800 -0.062 0.000 3.122 251 G HA2 0.244 4.198 3.960 -0.011 0.000 0.180 251 G HA3 0.244 4.198 3.960 -0.011 0.000 0.180 251 G C 0.622 175.482 174.900 -0.067 0.000 1.279 251 G CA 0.050 45.118 45.100 -0.053 0.000 0.987 251 G HN -0.053 nan 8.290 nan 0.000 0.589 252 S N 0.535 116.205 115.700 -0.050 0.000 2.382 252 S HA -0.090 4.374 4.470 -0.011 0.000 0.228 252 S C 1.785 176.364 174.600 -0.034 0.000 1.027 252 S CA 1.560 59.733 58.200 -0.045 0.000 0.991 252 S CB -0.245 62.938 63.200 -0.029 0.000 0.823 252 S HN 0.564 nan 8.310 nan 0.000 0.469 253 D N 1.555 121.938 120.400 -0.027 0.000 2.178 253 D HA -0.068 4.566 4.640 -0.011 0.000 0.201 253 D C 2.144 178.424 176.300 -0.033 0.000 0.980 253 D CA 1.230 55.217 54.000 -0.021 0.000 0.842 253 D CB -0.706 40.083 40.800 -0.018 0.000 0.948 253 D HN 0.495 nan 8.370 nan 0.000 0.472 254 G N 1.714 110.480 108.800 -0.056 0.000 2.421 254 G HA2 -0.284 3.670 3.960 -0.011 0.000 0.216 254 G HA3 -0.284 3.670 3.960 -0.011 0.000 0.216 254 G C 1.425 176.373 174.900 0.080 0.000 1.171 254 G CA 0.947 46.015 45.100 -0.053 0.000 0.775 254 G HN 0.459 nan 8.290 nan 0.000 0.543 255 E N 0.096 120.307 120.200 0.018 0.000 2.427 255 E HA 0.024 4.368 4.350 -0.011 0.000 0.196 255 E C 1.561 178.158 176.600 -0.005 0.000 1.028 255 E CA 0.574 56.976 56.400 0.003 0.000 0.864 255 E CB -0.319 29.341 29.700 -0.067 0.000 0.813 255 E HN 0.524 nan 8.360 nan 0.000 0.514 256 N N 0.315 119.012 118.700 -0.004 0.000 2.398 256 N HA 0.053 4.786 4.740 -0.011 0.000 0.188 256 N C -0.411 175.091 175.510 -0.014 0.000 1.122 256 N CA -0.415 52.632 53.050 -0.005 0.000 0.866 256 N CB 0.246 38.736 38.487 0.005 0.000 0.970 256 N HN 0.053 nan 8.380 nan 0.000 0.462 257 L N 2.379 123.602 121.223 -0.000 0.000 2.397 257 L HA 0.266 4.600 4.340 -0.011 0.000 0.271 257 L C -1.910 174.944 176.870 -0.027 0.000 1.148 257 L CA -2.046 52.786 54.840 -0.014 0.000 0.825 257 L CB 0.150 42.244 42.059 0.058 0.000 1.117 257 L HN -0.002 nan 8.230 nan 0.000 0.456 258 P HA 0.127 nan 4.420 nan 0.000 0.275 258 P C -0.782 176.451 177.300 -0.112 0.000 1.228 258 P CA -0.585 62.480 63.100 -0.058 0.000 0.786 258 P CB 0.603 32.280 31.700 -0.038 0.000 0.927 259 K N 0.902 121.187 120.400 -0.191 0.000 2.274 259 K HA 0.397 4.710 4.320 -0.011 0.000 0.255 259 K C 0.406 176.720 176.600 -0.477 0.000 1.005 259 K CA 0.229 56.253 56.287 -0.439 0.000 0.864 259 K CB -0.157 31.868 32.500 -0.793 0.000 1.013 259 K HN 0.700 nan 8.250 nan 0.000 0.519 260 A N 0.321 122.788 122.820 -0.590 0.000 2.572 260 A HA 0.441 4.755 4.320 -0.011 0.000 0.295 260 A C 0.110 177.571 177.584 -0.206 0.000 1.072 260 A CA -0.672 51.177 52.037 -0.312 0.000 0.691 260 A CB 0.851 19.779 19.000 -0.121 0.000 1.291 260 A HN 0.749 nan 8.150 nan 0.000 0.404 261 H N 0.513 119.696 119.070 0.187 0.000 2.465 261 H HA 0.294 4.844 4.556 -0.011 0.000 0.289 261 H C 0.007 175.398 175.328 0.105 0.000 1.022 261 H CA 1.318 57.485 56.048 0.198 0.000 1.340 261 H CB 0.355 30.221 29.762 0.173 0.000 1.437 261 H HN 0.483 nan 8.280 nan 0.000 0.539 262 I N 0.716 121.383 120.570 0.162 0.000 2.730 262 I HA 0.286 4.450 4.170 -0.011 0.000 0.298 262 I C -0.949 175.184 176.117 0.025 0.000 1.089 262 I CA -0.815 60.533 61.300 0.080 0.000 1.041 262 I CB 3.478 41.532 38.000 0.090 0.000 1.235 262 I HN -0.306 nan 8.210 nan 0.000 0.423 263 V N 4.087 123.980 119.914 -0.034 0.000 2.524 263 V HA 0.703 4.816 4.120 -0.011 0.000 0.297 263 V C -0.495 175.508 176.094 -0.151 0.000 1.035 263 V CA -0.462 61.798 62.300 -0.067 0.000 0.867 263 V CB 1.705 33.492 31.823 -0.060 0.000 1.004 263 V HN 0.814 nan 8.190 nan 0.000 0.426 264 A N 3.278 125.984 122.820 -0.190 0.000 2.332 264 A HA 0.911 5.225 4.320 -0.011 0.000 0.300 264 A C -0.402 176.724 177.584 -0.763 0.000 1.153 264 A CA -0.485 51.311 52.037 -0.402 0.000 0.764 264 A CB 1.828 20.725 19.000 -0.172 0.000 1.174 264 A HN 0.761 nan 8.150 nan 0.000 0.467 265 T N 0.894 114.932 114.554 -0.861 0.000 2.853 265 T HA 0.503 4.847 4.350 -0.011 0.000 0.311 265 T C -1.799 172.528 174.700 -0.621 0.000 1.307 265 T CA -0.521 61.118 62.100 -0.770 0.000 1.019 265 T CB 1.428 70.094 68.868 -0.337 0.000 1.264 265 T HN 0.607 nan 8.240 nan 0.000 0.497 266 N N 3.296 121.753 118.700 -0.405 0.000 2.790 266 N HA 0.400 5.133 4.740 -0.011 0.000 0.256 266 N C -2.632 172.667 175.510 -0.351 0.000 1.409 266 N CA -1.714 51.196 53.050 -0.233 0.000 0.799 266 N CB 1.149 39.681 38.487 0.074 0.000 1.170 266 N HN 0.396 nan 8.380 nan 0.000 0.507 267 P HA 0.228 nan 4.420 nan 0.000 0.271 267 P C -2.655 174.170 177.300 -0.792 0.000 1.233 267 P CA -0.810 61.824 63.100 -0.777 0.000 0.789 267 P CB -0.218 30.803 31.700 -1.131 0.000 0.951 268 P HA 0.105 nan 4.420 nan 0.000 0.267 268 P C -0.487 176.480 177.300 -0.555 0.000 1.200 268 P CA 0.604 63.385 63.100 -0.532 0.000 0.772 268 P CB 0.101 31.630 31.700 -0.286 0.000 0.855 269 F N 0.874 120.725 119.950 -0.165 0.000 2.411 269 F HA 0.600 5.121 4.527 -0.011 0.000 0.324 269 F C 1.664 177.401 175.800 -0.105 0.000 1.086 269 F CA 0.577 58.490 58.000 -0.145 0.000 1.028 269 F CB 0.034 38.936 39.000 -0.163 0.000 1.284 269 F HN 0.630 nan 8.300 nan 0.000 0.501 270 G N 0.534 109.410 108.800 0.126 0.000 2.539 270 G HA2 -0.295 3.659 3.960 -0.011 0.000 0.256 270 G HA3 -0.295 3.659 3.960 -0.011 0.000 0.256 270 G C 0.617 175.530 174.900 0.020 0.000 1.233 270 G CA 0.072 45.201 45.100 0.049 0.000 0.936 270 G HN 0.860 nan 8.290 nan 0.000 0.571 271 S N 0.744 116.452 115.700 0.013 0.000 2.605 271 S HA 0.525 4.988 4.470 -0.011 0.000 0.217 271 S C 1.192 175.802 174.600 0.017 0.000 0.958 271 S CA 1.612 59.819 58.200 0.012 0.000 0.919 271 S CB -1.395 61.810 63.200 0.009 0.000 0.780 271 S HN 2.588 nan 8.310 nan 0.000 0.507 272 A N 0.338 123.162 122.820 0.006 0.000 6.848 272 A HA 0.161 4.475 4.320 -0.011 0.000 0.247 272 A C 0.684 178.272 177.584 0.007 0.000 2.199 272 A CA 0.163 52.200 52.037 0.000 0.000 0.681 272 A CB -1.838 17.186 19.000 0.041 0.000 1.069 272 A HN 1.375 nan 8.150 nan 0.000 0.381 273 A N -0.380 122.445 122.820 0.009 0.000 2.599 273 A HA 0.653 4.967 4.320 -0.011 0.000 0.257 273 A C 1.499 179.101 177.584 0.030 0.000 1.641 273 A CA 0.590 52.636 52.037 0.015 0.000 0.842 273 A CB -0.711 18.299 19.000 0.015 0.000 1.599 273 A HN 2.684 nan 8.150 nan 0.000 0.585 274 G N 0.567 109.385 108.800 0.030 0.000 2.789 274 G HA2 0.419 4.372 3.960 -0.011 0.000 0.281 274 G HA3 0.419 4.372 3.960 -0.011 0.000 0.281 274 G C -0.048 174.874 174.900 0.038 0.000 0.708 274 G CA 0.624 45.742 45.100 0.030 0.000 2.067 274 G HN 0.860 nan 8.290 nan 0.000 0.554 275 T N 0.143 114.723 114.554 0.043 0.000 3.064 275 T HA 0.280 4.623 4.350 -0.011 0.000 0.367 275 T C -0.047 174.674 174.700 0.035 0.000 1.202 275 T CA -1.209 60.919 62.100 0.047 0.000 1.133 275 T CB 0.638 69.553 68.868 0.078 0.000 1.074 275 T HN 0.480 nan 8.240 nan 0.000 0.519 276 N N 3.274 121.988 118.700 0.025 0.000 2.497 276 N HA 0.155 4.889 4.740 -0.011 0.000 0.271 276 N C -0.092 175.432 175.510 0.023 0.000 1.142 276 N CA -0.675 52.388 53.050 0.022 0.000 0.965 276 N CB 1.262 39.758 38.487 0.015 0.000 1.077 276 N HN 0.602 nan 8.380 nan 0.000 0.462 277 I N 1.458 122.049 120.570 0.035 0.000 2.270 277 I HA -0.030 4.134 4.170 -0.011 0.000 0.294 277 I C 1.028 177.170 176.117 0.041 0.000 1.164 277 I CA -0.210 61.127 61.300 0.062 0.000 1.680 277 I CB -0.793 37.264 38.000 0.095 0.000 1.494 277 I HN 0.551 nan 8.210 nan 0.000 0.767 278 T N 1.634 116.193 114.554 0.008 0.000 3.327 278 T HA 0.250 4.594 4.350 -0.011 0.000 0.241 278 T C 0.252 174.916 174.700 -0.060 0.000 0.907 278 T CA -0.579 61.510 62.100 -0.018 0.000 0.931 278 T CB -0.147 68.709 68.868 -0.020 0.000 1.112 278 T HN 0.537 nan 8.240 nan 0.000 0.589 279 R N 0.296 120.743 120.500 -0.088 0.000 2.651 279 R HA 0.470 4.804 4.340 -0.011 0.000 0.278 279 R C -1.349 174.753 176.300 -0.330 0.000 1.010 279 R CA -0.459 55.494 56.100 -0.246 0.000 0.896 279 R CB 1.699 31.785 30.300 -0.358 0.000 1.211 279 R HN 0.211 nan 8.270 nan 0.000 0.456 280 T N 3.967 118.311 114.554 -0.351 0.000 2.845 280 T HA 0.432 4.775 4.350 -0.011 0.000 0.288 280 T C -0.729 173.705 174.700 -0.445 0.000 0.980 280 T CA 0.086 62.030 62.100 -0.259 0.000 1.071 280 T CB 0.325 69.105 68.868 -0.148 0.000 0.941 280 T HN 0.258 nan 8.240 nan 0.000 0.487 281 F N 0.365 120.290 119.950 -0.042 0.000 2.594 281 F HA 0.382 4.903 4.527 -0.010 0.000 0.335 281 F C 1.464 177.209 175.800 -0.092 0.000 1.058 281 F CA -1.230 56.740 58.000 -0.051 0.000 0.981 281 F CB 0.895 39.879 39.000 -0.026 0.000 1.289 281 F HN 0.253 nan 8.300 nan 0.000 0.490 282 V N -0.107 119.860 119.914 0.089 0.000 2.568 282 V HA -0.219 3.894 4.120 -0.011 0.000 0.253 282 V C 0.077 175.908 176.094 -0.439 0.000 1.072 282 V CA 1.549 63.732 62.300 -0.195 0.000 1.084 282 V CB -1.044 30.637 31.823 -0.235 0.000 0.676 282 V HN 0.536 nan 8.190 nan 0.000 0.469 283 H N -1.350 117.778 119.070 0.098 0.000 2.808 283 H HA 0.316 4.866 4.556 -0.011 0.000 0.268 283 H C -2.762 172.604 175.328 0.062 0.000 1.306 283 H CA -2.334 53.745 56.048 0.050 0.000 1.565 283 H CB 0.929 30.696 29.762 0.008 0.000 1.632 283 H HN 0.248 nan 8.280 nan 0.000 0.525 284 P HA -0.036 nan 4.420 nan 0.000 0.261 284 P C -0.039 177.315 177.300 0.090 0.000 1.173 284 P CA 0.799 63.985 63.100 0.142 0.000 0.760 284 P CB 0.790 32.550 31.700 0.099 0.000 0.783 285 T N -0.141 114.449 114.554 0.061 0.000 2.838 285 T HA 0.380 4.724 4.350 -0.011 0.000 0.292 285 T C 0.696 175.402 174.700 0.009 0.000 1.113 285 T CA -0.533 61.575 62.100 0.012 0.000 1.008 285 T CB 1.541 70.389 68.868 -0.034 0.000 1.259 285 T HN 0.010 nan 8.240 nan 0.000 0.520 286 S N -0.290 115.407 115.700 -0.006 0.000 2.514 286 S HA 0.210 4.674 4.470 -0.011 0.000 0.223 286 S C 0.814 175.408 174.600 -0.010 0.000 1.046 286 S CA -0.251 57.948 58.200 -0.002 0.000 0.914 286 S CB -0.119 63.078 63.200 -0.005 0.000 0.807 286 S HN 0.566 nan 8.310 nan 0.000 0.497 287 N N 2.071 120.754 118.700 -0.027 0.000 2.497 287 N HA 0.048 4.781 4.740 -0.011 0.000 0.268 287 N C 0.594 176.094 175.510 -0.017 0.000 1.171 287 N CA 0.148 53.180 53.050 -0.031 0.000 0.948 287 N CB 0.761 39.213 38.487 -0.058 0.000 1.069 287 N HN 0.116 nan 8.380 nan 0.000 0.460 288 K N 2.980 123.391 120.400 0.018 0.000 2.155 288 K HA -0.096 4.218 4.320 -0.011 0.000 0.203 288 K C 1.563 178.263 176.600 0.166 0.000 1.052 288 K CA 1.239 57.578 56.287 0.086 0.000 0.948 288 K CB 0.042 32.614 32.500 0.120 0.000 0.728 288 K HN 0.565 nan 8.250 nan 0.000 0.448 289 Q N 0.764 120.604 119.800 0.068 0.000 2.079 289 Q HA 0.050 4.384 4.340 -0.011 0.000 0.200 289 Q C 2.113 178.136 176.000 0.037 0.000 0.974 289 Q CA 0.848 56.678 55.803 0.045 0.000 0.840 289 Q CB -0.139 28.573 28.738 -0.044 0.000 0.898 289 Q HN 0.169 nan 8.270 nan 0.000 0.430 290 L N -0.558 120.644 121.223 -0.035 0.000 2.362 290 L HA -0.165 4.169 4.340 -0.011 0.000 0.219 290 L C 1.897 178.662 176.870 -0.175 0.000 1.134 290 L CA 0.274 55.062 54.840 -0.086 0.000 0.807 290 L CB -0.188 41.811 42.059 -0.100 0.000 0.927 290 L HN 0.415 nan 8.230 nan 0.000 0.447 291 C N -1.014 118.159 119.300 -0.213 0.000 2.486 291 C HA -0.085 4.369 4.460 -0.011 0.000 0.279 291 C C 2.573 177.278 174.990 -0.476 0.000 1.302 291 C CA 0.122 58.802 59.018 -0.563 0.000 1.720 291 C CB -0.634 26.836 27.740 -0.449 0.000 2.030 291 C HN 0.417 nan 8.230 nan 0.000 0.490 292 F N 0.316 120.135 119.950 -0.218 0.000 2.126 292 F HA -0.214 4.306 4.527 -0.011 0.000 0.299 292 F C 2.429 178.205 175.800 -0.040 0.000 1.096 292 F CA 1.837 59.780 58.000 -0.096 0.000 1.255 292 F CB -0.546 38.399 39.000 -0.090 0.000 0.997 292 F HN 0.091 nan 8.300 nan 0.000 0.479 293 M N 0.156 119.813 119.600 0.095 0.000 2.108 293 M HA -0.253 4.221 4.480 -0.011 0.000 0.261 293 M C 2.129 178.432 176.300 0.005 0.000 1.066 293 M CA 1.797 57.128 55.300 0.052 0.000 1.107 293 M CB -0.632 31.959 32.600 -0.016 0.000 1.356 293 M HN 0.137 nan 8.290 nan 0.000 0.406 294 Q N -1.856 117.875 119.800 -0.115 0.000 2.124 294 Q HA -0.246 4.087 4.340 -0.011 0.000 0.202 294 Q C 2.091 178.135 176.000 0.073 0.000 0.977 294 Q CA 1.935 57.687 55.803 -0.086 0.000 0.850 294 Q CB -0.511 28.047 28.738 -0.300 0.000 0.901 294 Q HN 0.739 nan 8.270 nan 0.000 0.429 295 H N 0.771 119.847 119.070 0.011 0.000 2.299 295 H HA -0.063 4.487 4.556 -0.010 0.000 0.302 295 H C 1.877 177.257 175.328 0.088 0.000 1.078 295 H CA 1.679 57.807 56.048 0.134 0.000 1.323 295 H CB -0.159 29.629 29.762 0.043 0.000 1.381 295 H HN 0.113 nan 8.280 nan 0.000 0.498 296 I N 0.218 120.851 120.570 0.106 0.000 2.264 296 I HA -0.262 3.902 4.170 -0.011 0.000 0.248 296 I C 2.181 178.338 176.117 0.067 0.000 1.111 296 I CA 1.339 62.699 61.300 0.099 0.000 1.382 296 I CB -0.243 37.900 38.000 0.239 0.000 1.060 296 I HN 0.368 nan 8.210 nan 0.000 0.418 297 I N 0.396 121.013 120.570 0.078 0.000 2.315 297 I HA -0.259 3.904 4.170 -0.011 0.000 0.248 297 I C 2.577 178.704 176.117 0.017 0.000 1.117 297 I CA 1.190 62.536 61.300 0.076 0.000 1.404 297 I CB -0.257 37.755 38.000 0.020 0.000 1.071 297 I HN 0.241 nan 8.210 nan 0.000 0.419 298 E N 1.246 121.417 120.200 -0.048 0.000 2.028 298 E HA -0.187 4.157 4.350 -0.011 0.000 0.190 298 E C 2.084 178.591 176.600 -0.154 0.000 0.984 298 E CA 2.302 58.651 56.400 -0.085 0.000 0.800 298 E CB -0.284 29.368 29.700 -0.080 0.000 0.758 298 E HN 0.468 nan 8.360 nan 0.000 0.448 299 T N -0.623 113.763 114.554 -0.280 0.000 2.962 299 T HA -0.010 4.334 4.350 -0.011 0.000 0.270 299 T C 1.015 175.565 174.700 -0.250 0.000 1.088 299 T CA 0.242 62.173 62.100 -0.282 0.000 1.127 299 T CB -0.371 68.302 68.868 -0.324 0.000 0.883 299 T HN 0.029 nan 8.240 nan 0.000 0.493 300 L N 2.639 123.778 121.223 -0.140 0.000 2.455 300 L HA 0.153 4.487 4.340 -0.011 0.000 0.272 300 L C 1.006 177.834 176.870 -0.070 0.000 1.174 300 L CA -0.462 54.329 54.840 -0.083 0.000 0.869 300 L CB 0.222 42.317 42.059 0.060 0.000 1.130 300 L HN 0.321 nan 8.230 nan 0.000 0.474 301 H N 3.359 122.423 119.070 -0.011 0.000 2.745 301 H HA 0.128 4.678 4.556 -0.010 0.000 0.373 301 H C -2.044 173.326 175.328 0.070 0.000 1.226 301 H CA -1.775 54.277 56.048 0.006 0.000 1.435 301 H CB 0.276 30.029 29.762 -0.013 0.000 1.461 301 H HN 0.318 nan 8.280 nan 0.000 0.616 302 P HA 0.047 nan 4.420 nan 0.000 0.267 302 P C 0.742 178.143 177.300 0.169 0.000 1.205 302 P CA 1.222 64.414 63.100 0.153 0.000 0.765 302 P CB 0.481 32.246 31.700 0.108 0.000 0.828 303 G N 2.099 110.999 108.800 0.166 0.000 2.176 303 G HA2 -0.177 3.777 3.960 -0.011 0.000 0.253 303 G HA3 -0.177 3.777 3.960 -0.011 0.000 0.253 303 G C 0.681 175.755 174.900 0.290 0.000 0.979 303 G CA -0.203 44.999 45.100 0.170 0.000 0.641 303 G HN 0.868 nan 8.290 nan 0.000 0.530 304 G N -0.043 108.923 108.800 0.276 0.000 2.699 304 G HA2 0.575 4.529 3.960 -0.011 0.000 0.246 304 G HA3 0.575 4.529 3.960 -0.011 0.000 0.246 304 G C 0.281 175.335 174.900 0.257 0.000 1.219 304 G CA 0.384 45.644 45.100 0.267 0.000 0.866 304 G HN 1.256 nan 8.290 nan 0.000 0.572 305 R N -0.934 119.654 120.500 0.148 0.000 2.725 305 R HA 0.803 5.137 4.340 -0.011 0.000 0.277 305 R C -0.949 175.287 176.300 -0.107 0.000 0.987 305 R CA -0.847 55.281 56.100 0.046 0.000 0.901 305 R CB 1.853 32.136 30.300 -0.029 0.000 1.207 305 R HN 0.898 nan 8.270 nan 0.000 0.463 306 A N 1.004 123.623 122.820 -0.336 0.000 2.594 306 A HA 0.875 5.188 4.320 -0.011 0.000 0.291 306 A C -1.652 175.613 177.584 -0.532 0.000 1.105 306 A CA -0.520 51.234 52.037 -0.471 0.000 0.694 306 A CB 2.121 20.729 19.000 -0.653 0.000 1.291 306 A HN 1.022 nan 8.150 nan 0.000 0.410 307 A N 0.457 123.009 122.820 -0.447 0.000 2.414 307 A HA 0.644 4.958 4.320 -0.011 0.000 0.286 307 A C -1.343 175.966 177.584 -0.458 0.000 1.073 307 A CA -0.354 51.340 52.037 -0.572 0.000 0.727 307 A CB 1.043 19.790 19.000 -0.423 0.000 1.215 307 A HN 1.451 nan 8.150 nan 0.000 0.430 308 V N 3.150 122.832 119.914 -0.387 0.000 2.444 308 V HA 0.348 4.462 4.120 -0.011 0.000 0.294 308 V C -0.048 175.943 176.094 -0.172 0.000 1.022 308 V CA -0.695 61.466 62.300 -0.231 0.000 0.850 308 V CB 1.745 33.532 31.823 -0.059 0.000 0.992 308 V HN 0.649 nan 8.190 nan 0.000 0.426 309 V N 6.314 126.139 119.914 -0.149 0.000 2.455 309 V HA 0.441 4.554 4.120 -0.011 0.000 0.273 309 V C 0.195 176.273 176.094 -0.027 0.000 1.045 309 V CA -0.018 62.266 62.300 -0.026 0.000 0.976 309 V CB 1.099 32.970 31.823 0.080 0.000 0.993 309 V HN 0.765 nan 8.190 nan 0.000 0.475 310 V N 3.973 123.912 119.914 0.041 0.000 3.102 310 V HA 0.808 4.921 4.120 -0.011 0.000 0.312 310 V C -2.979 173.189 176.094 0.123 0.000 1.135 310 V CA -2.775 59.555 62.300 0.051 0.000 1.022 310 V CB 2.428 34.258 31.823 0.011 0.000 1.056 310 V HN 0.604 nan 8.190 nan 0.000 0.436 311 P HA 0.450 nan 4.420 nan 0.000 0.278 311 P C -0.331 176.999 177.300 0.049 0.000 1.258 311 P CA -0.191 62.958 63.100 0.081 0.000 0.811 311 P CB 0.787 32.552 31.700 0.108 0.000 1.063 312 D N 0.013 120.458 120.400 0.075 0.000 2.182 312 D HA -0.162 4.471 4.640 -0.011 0.000 0.201 312 D C 1.389 177.777 176.300 0.146 0.000 0.986 312 D CA 1.269 55.379 54.000 0.183 0.000 0.847 312 D CB -0.407 40.551 40.800 0.263 0.000 0.942 312 D HN 0.342 nan 8.370 nan 0.000 0.467 313 N N 0.326 118.972 118.700 -0.089 0.000 2.061 313 N HA -0.151 4.583 4.740 -0.011 0.000 0.193 313 N C 1.991 177.201 175.510 -0.499 0.000 1.030 313 N CA 0.763 53.443 53.050 -0.618 0.000 0.856 313 N CB -0.804 37.469 38.487 -0.357 0.000 1.023 313 N HN 0.151 nan 8.380 nan 0.000 0.424 314 V N 1.789 121.574 119.914 -0.216 0.000 2.453 314 V HA -0.192 3.921 4.120 -0.011 0.000 0.252 314 V C 2.348 178.373 176.094 -0.115 0.000 1.068 314 V CA 1.307 63.520 62.300 -0.144 0.000 1.070 314 V CB -0.560 31.221 31.823 -0.069 0.000 0.664 314 V HN 0.251 nan 8.190 nan 0.000 0.461 315 L N -0.850 120.338 121.223 -0.058 0.000 2.162 315 L HA -0.007 4.327 4.340 -0.011 0.000 0.205 315 L C 2.079 178.990 176.870 0.068 0.000 1.086 315 L CA 1.368 56.225 54.840 0.030 0.000 0.778 315 L CB -0.353 41.773 42.059 0.112 0.000 0.928 315 L HN 0.573 nan 8.230 nan 0.000 0.446 316 F N -1.010 118.922 119.950 -0.031 0.000 2.661 316 F HA 0.400 4.918 4.527 -0.015 0.000 0.306 316 F C 0.672 176.449 175.800 -0.039 0.000 1.094 316 F CA -0.951 57.027 58.000 -0.037 0.000 1.254 316 F CB -0.375 38.605 39.000 -0.034 0.000 1.040 316 F HN -0.180 nan 8.300 nan 0.000 0.562 317 E N 1.932 121.880 120.200 -0.420 0.000 2.360 317 E HA 0.486 4.830 4.350 -0.011 0.000 0.269 317 E C 0.607 177.127 176.600 -0.134 0.000 1.022 317 E CA 0.118 56.320 56.400 -0.329 0.000 0.887 317 E CB 0.965 30.463 29.700 -0.336 0.000 0.990 317 E HN 0.400 nan 8.360 nan 0.000 0.426 318 G N 2.018 110.770 108.800 -0.080 0.000 2.641 318 G HA2 0.534 4.488 3.960 -0.011 0.000 0.239 318 G HA3 0.534 4.488 3.960 -0.011 0.000 0.239 318 G C 0.692 175.555 174.900 -0.063 0.000 1.402 318 G CA -0.131 44.937 45.100 -0.053 0.000 1.046 318 G HN 0.990 nan 8.290 nan 0.000 0.565 319 G N -0.019 108.752 108.800 -0.050 0.000 3.879 319 G HA2 -0.304 3.649 3.960 -0.011 0.000 0.318 319 G HA3 -0.304 3.649 3.960 -0.011 0.000 0.318 319 G C 1.230 176.093 174.900 -0.062 0.000 1.344 319 G CA 1.091 46.162 45.100 -0.047 0.000 1.024 319 G HN 0.737 nan 8.290 nan 0.000 0.681 320 K N 1.898 122.256 120.400 -0.069 0.000 2.360 320 K HA 0.265 4.578 4.320 -0.011 0.000 0.196 320 K C 2.497 179.026 176.600 -0.118 0.000 1.049 320 K CA 1.172 57.407 56.287 -0.087 0.000 1.049 320 K CB 0.041 32.512 32.500 -0.049 0.000 0.881 320 K HN 0.578 nan 8.250 nan 0.000 0.542 321 G N 1.286 110.021 108.800 -0.108 0.000 2.432 321 G HA2 -0.212 3.741 3.960 -0.011 0.000 0.219 321 G HA3 -0.212 3.741 3.960 -0.011 0.000 0.219 321 G C 1.360 176.187 174.900 -0.122 0.000 1.135 321 G CA 1.263 46.291 45.100 -0.120 0.000 0.767 321 G HN 0.229 nan 8.290 nan 0.000 0.550 322 T N 0.912 115.396 114.554 -0.116 0.000 2.857 322 T HA -0.044 4.300 4.350 -0.011 0.000 0.266 322 T C 1.904 176.513 174.700 -0.151 0.000 1.048 322 T CA 1.223 63.256 62.100 -0.111 0.000 1.139 322 T CB -0.160 68.653 68.868 -0.091 0.000 0.874 322 T HN 0.194 nan 8.240 nan 0.000 0.455 323 D N 1.249 121.518 120.400 -0.218 0.000 2.117 323 D HA 0.011 4.645 4.640 -0.011 0.000 0.198 323 D C 2.084 178.130 176.300 -0.423 0.000 0.982 323 D CA 0.853 54.623 54.000 -0.384 0.000 0.828 323 D CB -0.201 40.245 40.800 -0.589 0.000 0.967 323 D HN 0.361 nan 8.370 nan 0.000 0.464 324 I N 0.482 120.873 120.570 -0.298 0.000 2.394 324 I HA -0.165 3.999 4.170 -0.011 0.000 0.251 324 I C 2.587 178.641 176.117 -0.105 0.000 1.136 324 I CA 0.598 61.812 61.300 -0.143 0.000 1.425 324 I CB -0.081 37.863 38.000 -0.093 0.000 1.079 324 I HN -0.122 nan 8.210 nan 0.000 0.425 325 R N 0.827 121.258 120.500 -0.115 0.000 2.115 325 R HA -0.047 4.286 4.340 -0.011 0.000 0.226 325 R C 2.379 178.632 176.300 -0.079 0.000 1.100 325 R CA 0.950 56.995 56.100 -0.092 0.000 0.980 325 R CB 0.059 30.311 30.300 -0.080 0.000 0.875 325 R HN 0.256 nan 8.270 nan 0.000 0.445 326 R N -0.391 120.058 120.500 -0.084 0.000 2.119 326 R HA -0.081 4.253 4.340 -0.011 0.000 0.222 326 R C 1.604 177.887 176.300 -0.029 0.000 1.088 326 R CA 1.360 57.426 56.100 -0.056 0.000 0.984 326 R CB -0.119 30.142 30.300 -0.066 0.000 0.884 326 R HN 0.177 nan 8.270 nan 0.000 0.447 327 D N 0.536 120.922 120.400 -0.023 0.000 2.123 327 D HA -0.134 4.499 4.640 -0.011 0.000 0.200 327 D C 1.732 178.025 176.300 -0.011 0.000 0.976 327 D CA 0.607 54.632 54.000 0.041 0.000 0.831 327 D CB 0.116 41.006 40.800 0.149 0.000 0.974 327 D HN 0.009 nan 8.370 nan 0.000 0.469 328 L N 0.088 121.270 121.223 -0.069 0.000 2.012 328 L HA -0.062 4.272 4.340 -0.011 0.000 0.210 328 L C 2.060 178.851 176.870 -0.131 0.000 1.073 328 L CA 1.715 56.459 54.840 -0.159 0.000 0.748 328 L CB -0.501 41.417 42.059 -0.235 0.000 0.891 328 L HN 0.093 nan 8.230 nan 0.000 0.431 329 M N -0.901 118.654 119.600 -0.074 0.000 2.630 329 M HA -0.096 4.377 4.480 -0.011 0.000 0.254 329 M C 1.183 177.498 176.300 0.024 0.000 1.092 329 M CA 0.685 55.974 55.300 -0.017 0.000 1.087 329 M CB -0.332 32.268 32.600 0.001 0.000 1.453 329 M HN 0.314 nan 8.290 nan 0.000 0.509 330 D N 0.714 121.123 120.400 0.015 0.000 2.320 330 D HA 0.002 4.635 4.640 -0.011 0.000 0.228 330 D C 1.669 177.997 176.300 0.047 0.000 0.978 330 D CA 1.069 55.091 54.000 0.037 0.000 0.905 330 D CB 0.198 41.018 40.800 0.035 0.000 1.051 330 D HN 0.210 nan 8.370 nan 0.000 0.471 331 K N -0.592 119.827 120.400 0.032 0.000 2.366 331 K HA 0.067 4.381 4.320 -0.011 0.000 0.198 331 K C 0.438 177.081 176.600 0.072 0.000 1.044 331 K CA 0.296 56.610 56.287 0.045 0.000 0.973 331 K CB 0.461 32.979 32.500 0.030 0.000 0.767 331 K HN 0.133 nan 8.250 nan 0.000 0.475 332 C N -0.581 118.751 119.300 0.054 0.000 2.848 332 C HA 0.260 4.714 4.460 -0.011 0.000 0.317 332 C C -0.151 174.963 174.990 0.207 0.000 1.260 332 C CA -1.107 57.987 59.018 0.127 0.000 1.656 332 C CB 1.352 29.053 27.740 -0.065 0.000 2.174 332 C HN 0.404 nan 8.230 nan 0.000 0.479 333 H N 1.943 121.155 119.070 0.236 0.000 2.628 333 H HA 0.367 4.917 4.556 -0.010 0.000 0.250 333 H C -0.923 174.637 175.328 0.387 0.000 1.442 333 H CA -0.508 55.701 56.048 0.268 0.000 1.282 333 H CB 0.394 30.320 29.762 0.274 0.000 1.487 333 H HN 0.584 nan 8.280 nan 0.000 0.544 334 L N 6.879 128.140 121.223 0.064 0.000 2.433 334 L HA 0.017 4.351 4.340 -0.011 0.000 0.275 334 L C 1.153 177.987 176.870 -0.061 0.000 1.128 334 L CA 0.407 55.282 54.840 0.058 0.000 0.875 334 L CB 0.160 42.239 42.059 0.033 0.000 1.171 334 L HN 0.671 nan 8.230 nan 0.000 0.463 335 H N 1.042 120.133 119.070 0.035 0.000 3.017 335 H HA 0.334 4.884 4.556 -0.010 0.000 0.255 335 H C -0.401 175.096 175.328 0.282 0.000 0.990 335 H CA -0.044 56.029 56.048 0.042 0.000 1.205 335 H CB 0.440 30.169 29.762 -0.055 0.000 1.460 335 H HN 0.496 nan 8.280 nan 0.000 0.478 336 T N 2.279 116.893 114.554 0.100 0.000 2.916 336 T HA 0.575 4.918 4.350 -0.011 0.000 0.298 336 T C -0.513 174.525 174.700 0.562 0.000 1.031 336 T CA -0.574 61.801 62.100 0.458 0.000 0.993 336 T CB 2.453 71.656 68.868 0.558 0.000 1.045 336 T HN 0.146 nan 8.240 nan 0.000 0.454 337 I N 3.200 124.109 120.570 0.566 0.000 2.478 337 I HA 0.401 4.565 4.170 -0.011 0.000 0.287 337 I C -1.256 175.142 176.117 0.469 0.000 1.042 337 I CA -0.975 60.604 61.300 0.466 0.000 1.067 337 I CB 1.976 40.170 38.000 0.323 0.000 1.233 337 I HN 0.343 nan 8.210 nan 0.000 0.431 338 L N 7.527 128.972 121.223 0.369 0.000 2.280 338 L HA 0.476 4.809 4.340 -0.011 0.000 0.287 338 L C -0.207 176.741 176.870 0.130 0.000 1.023 338 L CA -0.152 54.783 54.840 0.158 0.000 0.819 338 L CB 0.608 42.594 42.059 -0.122 0.000 1.212 338 L HN 0.449 nan 8.230 nan 0.000 0.420 339 R N 6.455 127.032 120.500 0.128 0.000 2.205 339 R HA 0.369 4.703 4.340 -0.011 0.000 0.342 339 R C -0.692 175.627 176.300 0.031 0.000 1.058 339 R CA -0.627 55.514 56.100 0.068 0.000 0.904 339 R CB 0.342 30.662 30.300 0.033 0.000 1.089 339 R HN 0.639 nan 8.270 nan 0.000 0.471 340 L N 4.724 125.954 121.223 0.012 0.000 2.464 340 L HA 0.219 4.552 4.340 -0.011 0.000 0.264 340 L C -1.794 175.031 176.870 -0.074 0.000 1.199 340 L CA -1.692 53.123 54.840 -0.041 0.000 0.818 340 L CB 0.181 42.224 42.059 -0.027 0.000 1.102 340 L HN 0.208 nan 8.230 nan 0.000 0.473 341 P HA 0.160 nan 4.420 nan 0.000 0.293 341 P C -0.978 176.274 177.300 -0.080 0.000 1.298 341 P CA -0.374 62.674 63.100 -0.086 0.000 0.757 341 P CB 0.453 32.123 31.700 -0.051 0.000 1.262 342 T N -4.610 109.935 114.554 -0.015 0.000 2.912 342 T HA 0.574 4.917 4.350 -0.011 0.000 0.288 342 T C 0.687 175.402 174.700 0.026 0.000 1.030 342 T CA -0.140 61.953 62.100 -0.013 0.000 1.020 342 T CB 1.130 69.983 68.868 -0.024 0.000 1.056 342 T HN 0.787 nan 8.240 nan 0.000 0.480 343 G N 1.122 109.932 108.800 0.018 0.000 2.136 343 G HA2 -0.249 3.705 3.960 -0.011 0.000 0.242 343 G HA3 -0.249 3.705 3.960 -0.011 0.000 0.242 343 G C 0.526 175.441 174.900 0.025 0.000 0.989 343 G CA 0.310 45.431 45.100 0.037 0.000 0.682 343 G HN 1.303 nan 8.290 nan 0.000 0.522 344 I N -3.861 116.665 120.570 -0.074 0.000 3.783 344 I HA 0.582 4.745 4.170 -0.011 0.000 0.310 344 I C 0.611 176.625 176.117 -0.171 0.000 1.274 344 I CA -0.388 60.750 61.300 -0.271 0.000 1.294 344 I CB 0.122 37.649 38.000 -0.788 0.000 1.051 344 I HN -0.018 nan 8.210 nan 0.000 0.435 345 F N 0.879 120.840 119.950 0.018 0.000 2.458 345 F HA 0.284 4.806 4.527 -0.009 0.000 0.330 345 F C 1.202 177.108 175.800 0.177 0.000 1.082 345 F CA -1.037 57.073 58.000 0.183 0.000 0.995 345 F CB 0.976 40.011 39.000 0.058 0.000 1.170 345 F HN -0.009 nan 8.300 nan 0.000 0.478 346 Y N 2.202 122.684 120.300 0.304 0.000 2.365 346 Y HA -0.090 4.454 4.550 -0.009 0.000 0.287 346 Y C 1.246 177.188 175.900 0.070 0.000 1.162 346 Y CA 0.632 58.779 58.100 0.077 0.000 1.260 346 Y CB -1.041 37.427 38.460 0.014 0.000 0.976 346 Y HN 0.472 nan 8.280 nan 0.000 0.548 347 A N 0.042 122.658 122.820 -0.340 0.000 3.559 347 A HA 0.281 4.595 4.320 -0.011 0.000 0.145 347 A C 1.574 178.981 177.584 -0.295 0.000 1.506 347 A CA 1.280 52.985 52.037 -0.553 0.000 1.065 347 A CB -0.338 18.540 19.000 -0.203 0.000 1.485 347 A HN 0.500 nan 8.150 nan 0.000 0.698 348 Q N -3.786 115.901 119.800 -0.187 0.000 1.643 348 Q HA 0.008 4.341 4.340 -0.011 0.000 0.147 348 Q C 0.942 176.875 176.000 -0.112 0.000 0.558 348 Q CA 0.667 56.395 55.803 -0.125 0.000 0.894 348 Q CB -0.624 28.031 28.738 -0.139 0.000 0.961 348 Q HN 0.856 nan 8.270 nan 0.000 0.213 349 G N 2.779 111.506 108.800 -0.123 0.000 3.284 349 G HA2 0.425 4.379 3.960 -0.011 0.000 0.251 349 G HA3 0.425 4.379 3.960 -0.011 0.000 0.251 349 G C 0.142 174.964 174.900 -0.130 0.000 0.913 349 G CA 0.708 45.744 45.100 -0.106 0.000 1.947 349 G HN 0.118 nan 8.290 nan 0.000 0.635 350 V N -3.053 116.762 119.914 -0.166 0.000 3.040 350 V HA 0.793 4.907 4.120 -0.011 0.000 0.312 350 V C -0.804 175.172 176.094 -0.198 0.000 1.115 350 V CA -1.745 60.416 62.300 -0.232 0.000 0.998 350 V CB 2.287 33.850 31.823 -0.433 0.000 1.042 350 V HN 0.134 nan 8.190 nan 0.000 0.433 351 K N 1.936 122.226 120.400 -0.184 0.000 2.463 351 K HA 0.711 5.025 4.320 -0.011 0.000 0.255 351 K C -0.711 175.812 176.600 -0.129 0.000 0.942 351 K CA -0.393 55.823 56.287 -0.117 0.000 0.814 351 K CB 2.196 34.666 32.500 -0.051 0.000 1.122 351 K HN 1.073 nan 8.250 nan 0.000 0.425 352 T N -0.134 114.357 114.554 -0.105 0.000 2.908 352 T HA 0.597 4.941 4.350 -0.011 0.000 0.290 352 T C -0.441 174.281 174.700 0.037 0.000 1.034 352 T CA -0.973 61.098 62.100 -0.048 0.000 1.010 352 T CB 1.353 70.163 68.868 -0.097 0.000 1.068 352 T HN 0.504 nan 8.240 nan 0.000 0.481 353 N N -0.558 118.184 118.700 0.070 0.000 2.831 353 N HA 0.719 5.453 4.740 -0.011 0.000 0.276 353 N C -1.711 173.842 175.510 0.073 0.000 1.416 353 N CA -0.968 52.130 53.050 0.080 0.000 0.799 353 N CB 1.925 40.465 38.487 0.088 0.000 1.554 353 N HN 0.560 nan 8.380 nan 0.000 0.541 354 V N 1.035 120.990 119.914 0.068 0.000 2.482 354 V HA 0.410 4.523 4.120 -0.011 0.000 0.295 354 V C -0.893 175.145 176.094 -0.092 0.000 1.026 354 V CA -0.645 61.616 62.300 -0.066 0.000 0.856 354 V CB 1.074 32.853 31.823 -0.073 0.000 1.001 354 V HN 0.431 nan 8.190 nan 0.000 0.424 355 L N 5.084 126.220 121.223 -0.145 0.000 2.307 355 L HA 0.617 4.950 4.340 -0.011 0.000 0.282 355 L C -0.948 175.794 176.870 -0.213 0.000 1.051 355 L CA -0.151 54.705 54.840 0.026 0.000 0.804 355 L CB 1.060 43.234 42.059 0.192 0.000 1.197 355 L HN 0.447 nan 8.230 nan 0.000 0.431 356 F N 3.935 123.941 119.950 0.094 0.000 2.467 356 F HA 0.631 5.152 4.527 -0.010 0.000 0.336 356 F C -0.115 175.510 175.800 -0.290 0.000 1.123 356 F CA -0.675 57.268 58.000 -0.094 0.000 0.964 356 F CB 1.409 40.447 39.000 0.063 0.000 1.136 356 F HN 0.256 nan 8.300 nan 0.000 0.447 357 F N -0.904 119.092 119.950 0.075 0.000 2.713 357 F HA 0.797 5.317 4.527 -0.011 0.000 0.311 357 F C -1.182 174.824 175.800 0.344 0.000 1.141 357 F CA -1.114 56.986 58.000 0.167 0.000 0.939 357 F CB 1.257 40.304 39.000 0.079 0.000 1.325 357 F HN 0.158 nan 8.300 nan 0.000 0.453 358 T N 1.007 115.973 114.554 0.687 0.000 2.856 358 T HA 0.404 4.748 4.350 -0.011 0.000 0.283 358 T C -0.966 174.036 174.700 0.504 0.000 1.008 358 T CA -0.732 61.700 62.100 0.553 0.000 0.997 358 T CB 1.491 70.719 68.868 0.600 0.000 0.992 358 T HN 0.732 nan 8.240 nan 0.000 0.454 359 K N 2.356 122.987 120.400 0.385 0.000 2.363 359 K HA 0.489 4.803 4.320 -0.011 0.000 0.289 359 K C 0.991 177.723 176.600 0.220 0.000 1.063 359 K CA 1.001 57.460 56.287 0.288 0.000 0.967 359 K CB -0.631 32.005 32.500 0.226 0.000 0.987 359 K HN 0.886 nan 8.250 nan 0.000 0.473 360 G N 2.634 111.548 108.800 0.190 0.000 2.539 360 G HA2 -0.267 3.687 3.960 -0.011 0.000 0.256 360 G HA3 -0.267 3.687 3.960 -0.011 0.000 0.256 360 G C -0.379 174.602 174.900 0.134 0.000 1.233 360 G CA -0.032 45.148 45.100 0.133 0.000 0.936 360 G HN 1.158 nan 8.290 nan 0.000 0.571 361 T N -3.686 110.899 114.554 0.051 0.000 2.906 361 T HA 0.659 5.003 4.350 -0.011 0.000 0.295 361 T C 1.242 175.901 174.700 -0.068 0.000 1.075 361 T CA 0.416 62.498 62.100 -0.030 0.000 1.005 361 T CB 1.776 70.578 68.868 -0.110 0.000 1.136 361 T HN 1.345 nan 8.240 nan 0.000 0.498 362 V N 1.635 121.461 119.914 -0.146 0.000 2.324 362 V HA -0.140 3.973 4.120 -0.011 0.000 0.250 362 V C 3.082 179.103 176.094 -0.122 0.000 1.060 362 V CA 2.639 64.814 62.300 -0.208 0.000 1.042 362 V CB -1.454 30.200 31.823 -0.282 0.000 0.650 362 V HN 1.073 nan 8.190 nan 0.000 0.450 363 A N -0.278 122.483 122.820 -0.098 0.000 1.930 363 A HA -0.074 4.239 4.320 -0.011 0.000 0.217 363 A C 1.185 178.743 177.584 -0.043 0.000 1.175 363 A CA 1.319 53.317 52.037 -0.065 0.000 0.627 363 A CB -0.201 18.764 19.000 -0.059 0.000 0.815 363 A HN 0.605 nan 8.150 nan 0.000 0.443 364 N N -0.628 118.050 118.700 -0.037 0.000 2.762 364 N HA 0.258 4.992 4.740 -0.011 0.000 0.252 364 N C -2.627 172.885 175.510 0.002 0.000 1.269 364 N CA -1.137 51.904 53.050 -0.014 0.000 0.799 364 N CB 1.276 39.758 38.487 -0.008 0.000 1.173 364 N HN 0.010 nan 8.380 nan 0.000 0.516 365 P HA -0.064 nan 4.420 nan 0.000 0.222 365 P C 0.551 177.881 177.300 0.050 0.000 1.142 365 P CA 1.192 64.313 63.100 0.034 0.000 0.788 365 P CB 0.372 32.090 31.700 0.031 0.000 0.767 366 N N -1.834 116.888 118.700 0.037 0.000 2.184 366 N HA 0.015 4.748 4.740 -0.011 0.000 0.206 366 N C 0.484 176.016 175.510 0.037 0.000 1.151 366 N CA -0.046 53.029 53.050 0.040 0.000 0.878 366 N CB 0.174 38.679 38.487 0.031 0.000 1.014 366 N HN 0.301 nan 8.380 nan 0.000 0.512 367 Q N 1.266 121.087 119.800 0.036 0.000 2.283 367 Q HA -0.091 4.242 4.340 -0.011 0.000 0.301 367 Q C 0.012 176.038 176.000 0.043 0.000 1.063 367 Q CA 0.617 56.441 55.803 0.034 0.000 0.952 367 Q CB 0.627 29.384 28.738 0.031 0.000 1.166 367 Q HN 0.045 nan 8.270 nan 0.000 0.381 368 D N 2.662 123.083 120.400 0.036 0.000 2.355 368 D HA 0.106 4.740 4.640 -0.011 0.000 0.206 368 D C -0.362 175.961 176.300 0.039 0.000 1.010 368 D CA 0.852 54.873 54.000 0.036 0.000 0.875 368 D CB 0.595 41.411 40.800 0.027 0.000 0.966 368 D HN 0.378 nan 8.370 nan 0.000 0.512 369 K N 0.143 120.566 120.400 0.038 0.000 2.509 369 K HA 0.253 4.567 4.320 -0.011 0.000 0.266 369 K C -0.291 176.336 176.600 0.045 0.000 0.987 369 K CA -0.764 55.547 56.287 0.040 0.000 0.868 369 K CB 1.693 34.212 32.500 0.032 0.000 1.421 369 K HN -0.281 nan 8.250 nan 0.000 0.444 370 N N -0.172 118.557 118.700 0.049 0.000 2.696 370 N HA -0.210 4.524 4.740 -0.011 0.000 0.249 370 N C 0.628 176.184 175.510 0.077 0.000 1.090 370 N CA 0.630 53.714 53.050 0.057 0.000 0.716 370 N CB -2.115 36.398 38.487 0.044 0.000 1.020 370 N HN 0.589 nan 8.380 nan 0.000 0.548 371 C N -0.304 119.054 119.300 0.097 0.000 2.440 371 C HA -0.044 4.409 4.460 -0.011 0.000 0.278 371 C C 1.518 176.657 174.990 0.249 0.000 1.295 371 C CA 0.703 59.803 59.018 0.136 0.000 1.738 371 C CB -0.508 27.327 27.740 0.159 0.000 1.987 371 C HN 0.459 nan 8.230 nan 0.000 0.492 372 T N 1.900 116.595 114.554 0.235 0.000 2.817 372 T HA 0.225 4.569 4.350 -0.011 0.000 0.293 372 T C 0.664 175.494 174.700 0.216 0.000 0.964 372 T CA 0.044 62.315 62.100 0.284 0.000 1.085 372 T CB 0.771 69.731 68.868 0.153 0.000 0.921 372 T HN 0.591 nan 8.240 nan 0.000 0.502 373 D N 1.618 122.169 120.400 0.252 0.000 3.195 373 D HA 0.072 4.705 4.640 -0.011 0.000 0.245 373 D C -0.448 175.931 176.300 0.132 0.000 1.462 373 D CA -0.002 54.098 54.000 0.166 0.000 1.259 373 D CB 0.375 41.267 40.800 0.153 0.000 1.199 373 D HN 0.315 nan 8.370 nan 0.000 0.345 374 D N 0.817 121.310 120.400 0.154 0.000 2.278 374 D HA 0.455 5.089 4.640 -0.011 0.000 0.245 374 D C -0.830 175.509 176.300 0.064 0.000 1.052 374 D CA -0.434 53.594 54.000 0.047 0.000 0.834 374 D CB 3.074 43.880 40.800 0.010 0.000 1.194 374 D HN -0.102 nan 8.370 nan 0.000 0.481 375 V N 3.182 123.086 119.914 -0.016 0.000 2.384 375 V HA 0.317 4.431 4.120 -0.011 0.000 0.287 375 V C -0.608 175.441 176.094 -0.075 0.000 1.020 375 V CA -0.836 61.505 62.300 0.069 0.000 0.850 375 V CB 1.212 33.119 31.823 0.140 0.000 0.987 375 V HN 0.426 nan 8.190 nan 0.000 0.436 376 W N 3.723 125.021 121.300 -0.005 0.000 2.390 376 W HA 0.669 5.322 4.660 -0.011 0.000 0.312 376 W C -0.352 176.191 176.519 0.041 0.000 1.123 376 W CA -0.433 56.780 57.345 -0.220 0.000 1.202 376 W CB 1.544 30.692 29.460 -0.521 0.000 1.251 376 W HN 0.291 nan 8.180 nan 0.000 0.511 377 V N 4.012 124.104 119.914 0.297 0.000 2.604 377 V HA 0.316 4.429 4.120 -0.011 0.000 0.305 377 V C -1.415 175.165 176.094 0.810 0.000 1.043 377 V CA -1.304 61.341 62.300 0.574 0.000 0.888 377 V CB 1.576 33.778 31.823 0.632 0.000 0.995 377 V HN 0.340 nan 8.190 nan 0.000 0.429 378 Y N 2.844 123.585 120.300 0.735 0.000 2.338 378 Y HA 0.431 4.974 4.550 -0.011 0.000 0.328 378 Y C -0.014 176.094 175.900 0.346 0.000 0.965 378 Y CA -0.775 57.770 58.100 0.742 0.000 1.208 378 Y CB 1.234 40.162 38.460 0.780 0.000 1.132 378 Y HN 0.706 nan 8.280 nan 0.000 0.469 379 D N 6.739 127.069 120.400 -0.115 0.000 2.359 379 D HA 0.062 4.696 4.640 -0.011 0.000 0.250 379 D C -0.056 176.148 176.300 -0.161 0.000 1.264 379 D CA 0.457 54.325 54.000 -0.221 0.000 0.911 379 D CB 0.620 41.110 40.800 -0.517 0.000 1.056 379 D HN 0.780 nan 8.370 nan 0.000 0.499 380 L N 4.389 125.648 121.223 0.060 0.000 2.965 380 L HA 0.223 4.556 4.340 -0.011 0.000 0.254 380 L C 1.471 178.347 176.870 0.011 0.000 1.220 380 L CA -0.053 54.863 54.840 0.126 0.000 1.023 380 L CB 0.166 42.390 42.059 0.275 0.000 1.355 380 L HN 0.321 nan 8.230 nan 0.000 0.545 381 R N -0.556 119.923 120.500 -0.036 0.000 2.107 381 R HA 0.067 4.401 4.340 -0.011 0.000 0.195 381 R C 0.871 177.139 176.300 -0.054 0.000 1.214 381 R CA 0.719 56.793 56.100 -0.044 0.000 1.129 381 R CB 0.090 30.356 30.300 -0.057 0.000 1.045 381 R HN 0.307 nan 8.270 nan 0.000 0.489 382 T N 1.602 116.101 114.554 -0.092 0.000 2.928 382 T HA -0.002 4.342 4.350 -0.011 0.000 0.305 382 T C 0.187 174.859 174.700 -0.046 0.000 1.035 382 T CA 0.403 62.452 62.100 -0.084 0.000 1.145 382 T CB 0.161 68.950 68.868 -0.131 0.000 0.963 382 T HN 0.694 nan 8.240 nan 0.000 0.545 383 N N 2.519 121.203 118.700 -0.027 0.000 2.746 383 N HA -0.169 4.565 4.740 -0.011 0.000 0.250 383 N C -0.808 174.715 175.510 0.021 0.000 1.055 383 N CA 0.245 53.297 53.050 0.004 0.000 0.699 383 N CB -1.555 36.948 38.487 0.027 0.000 0.919 383 N HN 0.568 nan 8.380 nan 0.000 0.548 384 M N 0.587 120.178 119.600 -0.015 0.000 2.664 384 M HA 0.506 4.980 4.480 -0.011 0.000 0.314 384 M C -2.048 174.168 176.300 -0.140 0.000 1.200 384 M CA -1.944 53.330 55.300 -0.044 0.000 0.916 384 M CB 0.791 33.381 32.600 -0.017 0.000 1.717 384 M HN 0.023 nan 8.290 nan 0.000 0.470 385 P HA 0.104 nan 4.420 nan 0.000 0.271 385 P C -0.572 176.360 177.300 -0.613 0.000 1.233 385 P CA -0.103 62.757 63.100 -0.400 0.000 0.764 385 P CB -0.186 31.260 31.700 -0.422 0.000 0.825 386 S N 3.670 119.182 115.700 -0.312 0.000 2.973 386 S HA 0.005 4.469 4.470 -0.011 0.000 0.357 386 S C 0.242 174.706 174.600 -0.227 0.000 1.159 386 S CA -0.317 57.760 58.200 -0.204 0.000 1.423 386 S CB -1.262 61.877 63.200 -0.103 0.000 1.115 386 S HN 0.212 nan 8.310 nan 0.000 0.563 387 F N 2.489 122.409 119.950 -0.049 0.000 2.506 387 F HA 0.587 5.107 4.527 -0.012 0.000 0.351 387 F C 1.443 177.234 175.800 -0.016 0.000 1.136 387 F CA 0.935 58.916 58.000 -0.030 0.000 1.298 387 F CB 0.589 39.552 39.000 -0.061 0.000 1.145 387 F HN 0.878 nan 8.300 nan 0.000 0.593 388 G N 1.618 110.546 108.800 0.213 0.000 2.428 388 G HA2 0.132 4.086 3.960 -0.011 0.000 0.304 388 G HA3 0.132 4.086 3.960 -0.011 0.000 0.304 388 G C -0.175 174.791 174.900 0.111 0.000 1.303 388 G CA -0.764 44.406 45.100 0.117 0.000 0.825 388 G HN 0.504 nan 8.290 nan 0.000 0.484 389 K N -0.032 120.407 120.400 0.065 0.000 2.280 389 K HA -0.096 4.218 4.320 -0.011 0.000 0.202 389 K C 2.517 179.152 176.600 0.060 0.000 1.047 389 K CA 1.511 57.831 56.287 0.056 0.000 0.942 389 K CB -0.054 32.462 32.500 0.027 0.000 0.739 389 K HN 0.430 nan 8.250 nan 0.000 0.457 390 R N -0.457 120.075 120.500 0.053 0.000 2.057 390 R HA 0.008 4.341 4.340 -0.011 0.000 0.224 390 R C 0.438 176.777 176.300 0.065 0.000 1.136 390 R CA 0.924 57.051 56.100 0.044 0.000 0.968 390 R CB -0.982 29.332 30.300 0.023 0.000 0.863 390 R HN -0.074 nan 8.270 nan 0.000 0.433 391 T N 5.083 119.684 114.554 0.078 0.000 3.145 391 T HA 0.298 4.641 4.350 -0.011 0.000 0.362 391 T C -2.503 172.365 174.700 0.280 0.000 1.340 391 T CA -1.389 60.771 62.100 0.100 0.000 1.069 391 T CB 1.773 70.605 68.868 -0.060 0.000 1.129 391 T HN 0.160 nan 8.240 nan 0.000 0.585 392 P HA 0.215 nan 4.420 nan 0.000 0.275 392 P C -0.654 176.971 177.300 0.541 0.000 1.228 392 P CA -0.614 62.696 63.100 0.349 0.000 0.786 392 P CB 0.756 32.584 31.700 0.215 0.000 0.927 393 F N 3.929 123.976 119.950 0.161 0.000 2.413 393 F HA 0.305 4.827 4.527 -0.008 0.000 0.359 393 F C 0.477 176.347 175.800 0.117 0.000 1.122 393 F CA 0.235 58.150 58.000 -0.141 0.000 1.160 393 F CB 0.284 38.884 39.000 -0.667 0.000 1.146 393 F HN 0.308 nan 8.300 nan 0.000 0.514 394 T N 0.796 115.349 114.554 -0.001 0.000 2.905 394 T HA 0.328 4.672 4.350 -0.011 0.000 0.283 394 T C 0.577 175.046 174.700 -0.385 0.000 1.031 394 T CA -0.558 61.432 62.100 -0.184 0.000 1.002 394 T CB 1.211 70.023 68.868 -0.093 0.000 1.200 394 T HN 0.388 nan 8.240 nan 0.000 0.560 395 D N -0.061 120.183 120.400 -0.261 0.000 2.264 395 D HA 0.005 4.639 4.640 -0.011 0.000 0.208 395 D C 1.688 177.870 176.300 -0.196 0.000 0.966 395 D CA 0.656 54.520 54.000 -0.226 0.000 0.864 395 D CB -0.175 40.529 40.800 -0.160 0.000 0.933 395 D HN 0.570 nan 8.370 nan 0.000 0.499 396 E N -0.037 120.026 120.200 -0.229 0.000 2.110 396 E HA -0.150 4.193 4.350 -0.011 0.000 0.193 396 E C 1.631 178.172 176.600 -0.098 0.000 0.988 396 E CA 0.896 57.177 56.400 -0.198 0.000 0.804 396 E CB -0.143 29.395 29.700 -0.269 0.000 0.745 396 E HN 0.514 nan 8.360 nan 0.000 0.458 397 H N -0.904 118.179 119.070 0.021 0.000 2.524 397 H HA 0.025 4.575 4.556 -0.009 0.000 0.282 397 H C 1.654 177.055 175.328 0.122 0.000 1.016 397 H CA 0.810 56.949 56.048 0.152 0.000 1.270 397 H CB 0.205 29.904 29.762 -0.105 0.000 1.394 397 H HN 0.189 nan 8.280 nan 0.000 0.568 398 L N 0.027 121.293 121.223 0.073 0.000 2.590 398 L HA 0.020 4.353 4.340 -0.011 0.000 0.227 398 L C 2.297 179.213 176.870 0.076 0.000 1.099 398 L CA 0.126 55.025 54.840 0.099 0.000 0.872 398 L CB 0.081 42.164 42.059 0.039 0.000 1.088 398 L HN 0.075 nan 8.230 nan 0.000 0.479 399 Q N 0.463 120.282 119.800 0.032 0.000 2.096 399 Q HA -0.197 4.137 4.340 -0.011 0.000 0.204 399 Q C -0.558 175.416 176.000 -0.043 0.000 0.982 399 Q CA 1.711 57.499 55.803 -0.024 0.000 0.850 399 Q CB -0.868 27.848 28.738 -0.037 0.000 0.901 399 Q HN 0.410 nan 8.270 nan 0.000 0.422 400 P HA -0.186 nan 4.420 nan 0.000 0.215 400 P C 0.967 178.142 177.300 -0.209 0.000 1.157 400 P CA 0.998 64.093 63.100 -0.009 0.000 0.863 400 P CB -0.147 31.667 31.700 0.191 0.000 0.787 401 F N 1.977 121.639 119.950 -0.479 0.000 2.102 401 F HA -0.188 4.333 4.527 -0.009 0.000 0.298 401 F C 2.088 177.575 175.800 -0.522 0.000 1.105 401 F CA 1.707 59.175 58.000 -0.887 0.000 1.239 401 F CB -0.871 37.553 39.000 -0.960 0.000 0.991 401 F HN -0.033 nan 8.300 nan 0.000 0.474 402 E N 0.251 120.084 120.200 -0.612 0.000 2.204 402 E HA -0.205 4.138 4.350 -0.011 0.000 0.194 402 E C 2.237 178.578 176.600 -0.432 0.000 0.989 402 E CA 0.850 56.883 56.400 -0.611 0.000 0.824 402 E CB -0.479 29.065 29.700 -0.261 0.000 0.756 402 E HN 0.476 nan 8.360 nan 0.000 0.477 403 R N 0.820 121.111 120.500 -0.347 0.000 2.061 403 R HA -0.101 4.232 4.340 -0.011 0.000 0.230 403 R C 2.807 178.908 176.300 -0.332 0.000 1.140 403 R CA 1.790 57.737 56.100 -0.256 0.000 0.940 403 R CB -0.594 29.598 30.300 -0.180 0.000 0.839 403 R HN 0.298 nan 8.270 nan 0.000 0.429 404 V N -1.470 118.142 119.914 -0.502 0.000 2.490 404 V HA -0.258 3.856 4.120 -0.011 0.000 0.250 404 V C 2.019 177.749 176.094 -0.607 0.000 1.061 404 V CA 1.572 63.492 62.300 -0.634 0.000 1.064 404 V CB -1.150 29.962 31.823 -1.184 0.000 0.670 404 V HN 0.273 nan 8.190 nan 0.000 0.461 405 Y N 2.893 122.670 120.300 -0.871 0.000 2.102 405 Y HA 0.238 4.781 4.550 -0.011 0.000 0.280 405 Y C 1.445 177.114 175.900 -0.384 0.000 1.178 405 Y CA 1.961 59.656 58.100 -0.676 0.000 1.146 405 Y CB -0.575 37.318 38.460 -0.946 0.000 0.968 405 Y HN 0.745 nan 8.280 nan 0.000 0.504 406 G N -0.493 108.230 108.800 -0.128 0.000 2.497 406 G HA2 -0.212 3.741 3.960 -0.011 0.000 0.686 406 G HA3 -0.212 3.741 3.960 -0.011 0.000 0.686 406 G C -0.113 174.776 174.900 -0.017 0.000 1.288 406 G CA -0.102 44.933 45.100 -0.108 0.000 0.899 406 G HN 0.308 nan 8.290 nan 0.000 0.608 407 E N -0.855 119.318 120.200 -0.046 0.000 2.472 407 E HA 0.153 4.496 4.350 -0.011 0.000 0.196 407 E C 0.404 176.986 176.600 -0.030 0.000 1.033 407 E CA 0.294 56.666 56.400 -0.047 0.000 0.886 407 E CB 0.200 29.873 29.700 -0.044 0.000 0.944 407 E HN 0.461 nan 8.360 nan 0.000 0.492 408 D N 0.677 121.066 120.400 -0.018 0.000 2.317 408 D HA 0.028 4.662 4.640 -0.011 0.000 0.252 408 D C -1.492 174.820 176.300 0.021 0.000 1.174 408 D CA -2.157 51.842 54.000 -0.001 0.000 0.866 408 D CB 1.366 42.160 40.800 -0.011 0.000 1.127 408 D HN -0.071 nan 8.370 nan 0.000 0.467 409 P HA -0.143 nan 4.420 nan 0.000 0.228 409 P C 0.280 177.490 177.300 -0.151 0.000 1.151 409 P CA 0.980 64.047 63.100 -0.056 0.000 0.770 409 P CB 0.212 31.830 31.700 -0.137 0.000 0.786 410 H N -0.843 118.228 119.070 0.002 0.000 2.520 410 H HA 0.248 4.798 4.556 -0.010 0.000 0.284 410 H C 1.223 176.326 175.328 -0.375 0.000 1.037 410 H CA 0.603 56.609 56.048 -0.069 0.000 1.168 410 H CB -0.070 29.688 29.762 -0.007 0.000 1.497 410 H HN 0.153 nan 8.280 nan 0.000 0.547 411 G N 1.755 110.348 108.800 -0.344 0.000 2.305 411 G HA2 -0.262 3.691 3.960 -0.011 0.000 0.287 411 G HA3 -0.262 3.691 3.960 -0.011 0.000 0.287 411 G C 0.789 175.505 174.900 -0.307 0.000 1.036 411 G CA 0.407 45.154 45.100 -0.589 0.000 0.887 411 G HN 0.451 nan 8.290 nan 0.000 0.505 412 L N -0.072 121.063 121.223 -0.147 0.000 2.693 412 L HA 0.208 4.542 4.340 -0.011 0.000 0.235 412 L C 1.369 178.192 176.870 -0.078 0.000 1.127 412 L CA -0.062 54.739 54.840 -0.066 0.000 0.914 412 L CB 0.246 42.296 42.059 -0.014 0.000 1.193 412 L HN 0.236 nan 8.230 nan 0.000 0.502 413 S N 1.830 117.458 115.700 -0.120 0.000 2.572 413 S HA 0.150 4.614 4.470 -0.011 0.000 0.279 413 S C -2.032 172.496 174.600 -0.121 0.000 1.341 413 S CA -0.821 57.316 58.200 -0.105 0.000 1.043 413 S CB 0.332 63.463 63.200 -0.116 0.000 0.887 413 S HN 0.085 nan 8.310 nan 0.000 0.516 414 P HA 0.125 nan 4.420 nan 0.000 0.265 414 P C -0.743 176.485 177.300 -0.120 0.000 1.193 414 P CA 0.179 63.238 63.100 -0.069 0.000 0.765 414 P CB 0.423 32.104 31.700 -0.032 0.000 0.823 415 R N 1.208 121.616 120.500 -0.152 0.000 2.744 415 R HA 0.702 5.036 4.340 -0.011 0.000 0.279 415 R C -0.359 175.898 176.300 -0.071 0.000 0.977 415 R CA -0.674 55.258 56.100 -0.279 0.000 0.906 415 R CB 2.254 32.003 30.300 -0.918 0.000 1.197 415 R HN 0.501 nan 8.270 nan 0.000 0.463 416 T N -1.488 113.103 114.554 0.063 0.000 3.011 416 T HA 0.279 4.622 4.350 -0.011 0.000 0.303 416 T C -0.416 174.511 174.700 0.379 0.000 0.997 416 T CA -1.094 61.156 62.100 0.251 0.000 1.007 416 T CB 1.429 70.396 68.868 0.165 0.000 1.017 416 T HN 0.461 nan 8.240 nan 0.000 0.443 417 E N 1.280 121.729 120.200 0.415 0.000 2.481 417 E HA 0.404 4.748 4.350 -0.011 0.000 0.263 417 E C 0.622 177.330 176.600 0.180 0.000 0.992 417 E CA 0.577 57.136 56.400 0.264 0.000 0.938 417 E CB 0.191 29.854 29.700 -0.062 0.000 0.933 417 E HN 1.229 nan 8.360 nan 0.000 0.453 418 G N 2.246 111.066 108.800 0.033 0.000 2.492 418 G HA2 0.150 4.104 3.960 -0.011 0.000 0.283 418 G HA3 0.150 4.104 3.960 -0.011 0.000 0.283 418 G C -1.233 173.275 174.900 -0.653 0.000 1.274 418 G CA -0.670 44.133 45.100 -0.496 0.000 1.215 418 G HN 0.428 nan 8.290 nan 0.000 0.598 419 E N 1.743 121.254 120.200 -1.150 0.000 2.349 419 E HA 0.523 4.866 4.350 -0.011 0.000 0.290 419 E C -0.849 175.376 176.600 -0.625 0.000 0.901 419 E CA -0.971 55.128 56.400 -0.502 0.000 0.800 419 E CB 0.567 30.266 29.700 -0.002 0.000 1.303 419 E HN 0.426 nan 8.360 nan 0.000 0.397 420 W N 4.328 125.708 121.300 0.134 0.000 1.689 420 W HA 0.402 5.056 4.660 -0.011 0.000 0.294 420 W C -0.191 176.390 176.519 0.104 0.000 0.824 420 W CA -0.753 56.661 57.345 0.115 0.000 2.398 420 W CB 0.770 30.277 29.460 0.078 0.000 2.375 420 W HN 0.330 nan 8.180 nan 0.000 0.478 421 S N -0.128 115.715 115.700 0.239 0.000 2.652 421 S HA 0.372 4.836 4.470 -0.011 0.000 0.267 421 S C 0.136 174.829 174.600 0.155 0.000 1.201 421 S CA -0.262 57.980 58.200 0.070 0.000 0.996 421 S CB 0.459 63.621 63.200 -0.063 0.000 1.054 421 S HN 0.257 nan 8.310 nan 0.000 0.561 422 F N 1.447 121.507 119.950 0.184 0.000 2.861 422 F HA -0.219 4.302 4.527 -0.009 0.000 0.230 422 F C 0.616 176.495 175.800 0.132 0.000 1.020 422 F CA 0.274 58.370 58.000 0.160 0.000 0.852 422 F CB -2.237 36.874 39.000 0.184 0.000 0.724 422 F HN 0.547 nan 8.300 nan 0.000 0.843 423 N N -2.218 116.596 118.700 0.190 0.000 2.714 423 N HA -0.237 4.496 4.740 -0.011 0.000 0.253 423 N C 1.136 176.766 175.510 0.200 0.000 1.024 423 N CA 0.776 53.928 53.050 0.170 0.000 0.726 423 N CB -0.941 37.628 38.487 0.137 0.000 0.908 423 N HN 0.694 nan 8.380 nan 0.000 0.542 424 A N 0.139 123.112 122.820 0.255 0.000 1.968 424 A HA -0.114 4.199 4.320 -0.011 0.000 0.217 424 A C 1.940 179.704 177.584 0.300 0.000 1.169 424 A CA 1.483 53.687 52.037 0.278 0.000 0.638 424 A CB -0.063 19.133 19.000 0.326 0.000 0.812 424 A HN 0.519 nan 8.150 nan 0.000 0.446 425 E N 0.344 120.717 120.200 0.288 0.000 2.274 425 E HA -0.116 4.228 4.350 -0.011 0.000 0.194 425 E C 1.180 177.866 176.600 0.143 0.000 0.996 425 E CA 1.175 57.701 56.400 0.209 0.000 0.840 425 E CB -0.068 29.704 29.700 0.119 0.000 0.772 425 E HN 0.747 nan 8.360 nan 0.000 0.491 426 E N 0.393 120.670 120.200 0.128 0.000 2.463 426 E HA 0.077 4.420 4.350 -0.011 0.000 0.193 426 E C -0.247 176.406 176.600 0.089 0.000 1.041 426 E CA 0.041 56.497 56.400 0.092 0.000 0.879 426 E CB 0.602 30.348 29.700 0.077 0.000 0.997 426 E HN 0.007 nan 8.360 nan 0.000 0.478 427 T N 1.395 116.013 114.554 0.108 0.000 2.882 427 T HA 0.170 4.513 4.350 -0.011 0.000 0.287 427 T C 0.020 174.769 174.700 0.080 0.000 0.992 427 T CA -0.547 61.603 62.100 0.083 0.000 1.076 427 T CB 1.298 70.214 68.868 0.080 0.000 0.961 427 T HN -0.084 nan 8.240 nan 0.000 0.490 428 E N 1.849 122.083 120.200 0.056 0.000 2.324 428 E HA 0.233 4.577 4.350 -0.011 0.000 0.271 428 E C -0.558 176.082 176.600 0.066 0.000 1.028 428 E CA -0.031 56.403 56.400 0.057 0.000 0.890 428 E CB 0.428 30.151 29.700 0.038 0.000 1.004 428 E HN 0.290 nan 8.360 nan 0.000 0.431 429 V N 3.253 123.223 119.914 0.093 0.000 2.498 429 V HA 0.441 4.554 4.120 -0.011 0.000 0.279 429 V C 0.465 176.622 176.094 0.104 0.000 1.048 429 V CA -0.634 61.741 62.300 0.124 0.000 0.967 429 V CB 1.186 33.102 31.823 0.155 0.000 0.988 429 V HN 0.786 nan 8.190 nan 0.000 0.473 430 A N 3.231 126.120 122.820 0.115 0.000 2.302 430 A HA 0.464 4.778 4.320 -0.011 0.000 0.285 430 A C -0.004 177.649 177.584 0.116 0.000 1.105 430 A CA -0.363 51.732 52.037 0.096 0.000 0.816 430 A CB 0.428 19.478 19.000 0.082 0.000 1.067 430 A HN 0.818 nan 8.150 nan 0.000 0.489 431 D N 1.054 121.507 120.400 0.090 0.000 2.456 431 D HA 0.473 5.107 4.640 -0.011 0.000 0.219 431 D C -0.266 176.089 176.300 0.093 0.000 1.126 431 D CA 0.343 54.397 54.000 0.089 0.000 0.890 431 D CB 0.087 40.927 40.800 0.067 0.000 1.025 431 D HN 0.575 nan 8.370 nan 0.000 0.511 432 S N 1.727 117.501 115.700 0.123 0.000 2.656 432 S HA 0.294 4.758 4.470 -0.011 0.000 0.273 432 S C 0.899 175.608 174.600 0.181 0.000 1.168 432 S CA -0.810 57.471 58.200 0.135 0.000 0.817 432 S CB 1.451 64.736 63.200 0.142 0.000 1.146 432 S HN 0.081 nan 8.310 nan 0.000 0.475 433 E N 1.358 121.687 120.200 0.215 0.000 2.147 433 E HA -0.207 4.137 4.350 -0.011 0.000 0.199 433 E C 1.861 178.717 176.600 0.426 0.000 1.005 433 E CA 2.200 58.798 56.400 0.330 0.000 0.810 433 E CB -0.211 29.701 29.700 0.353 0.000 0.736 433 E HN 0.692 nan 8.360 nan 0.000 0.460 434 E N -0.002 120.446 120.200 0.415 0.000 2.085 434 E HA -0.193 4.151 4.350 -0.011 0.000 0.194 434 E C 1.105 177.737 176.600 0.053 0.000 0.994 434 E CA 0.992 57.506 56.400 0.191 0.000 0.801 434 E CB -0.363 29.488 29.700 0.251 0.000 0.743 434 E HN 0.261 nan 8.360 nan 0.000 0.453 435 N N 1.197 119.970 118.700 0.123 0.000 2.314 435 N HA 0.015 4.749 4.740 -0.011 0.000 0.200 435 N C -0.016 175.524 175.510 0.050 0.000 1.135 435 N CA 0.074 53.165 53.050 0.069 0.000 0.835 435 N CB 0.360 38.930 38.487 0.138 0.000 0.989 435 N HN 0.155 nan 8.380 nan 0.000 0.478 436 K N 1.541 121.981 120.400 0.067 0.000 2.412 436 K HA 0.015 4.328 4.320 -0.011 0.000 0.281 436 K C 0.257 176.868 176.600 0.018 0.000 1.027 436 K CA 0.064 56.390 56.287 0.064 0.000 0.989 436 K CB 0.223 32.790 32.500 0.111 0.000 0.935 436 K HN 0.074 nan 8.250 nan 0.000 0.475 437 N N 1.751 120.464 118.700 0.021 0.000 2.741 437 N HA -0.158 4.575 4.740 -0.011 0.000 0.250 437 N C -1.223 174.274 175.510 -0.022 0.000 1.115 437 N CA 1.367 54.419 53.050 0.003 0.000 0.724 437 N CB -1.344 37.142 38.487 -0.003 0.000 1.090 437 N HN 0.585 nan 8.380 nan 0.000 0.558 438 T N 1.430 115.975 114.554 -0.016 0.000 2.794 438 T HA 0.220 4.563 4.350 -0.011 0.000 0.280 438 T C 0.216 174.926 174.700 0.017 0.000 0.987 438 T CA -0.860 61.221 62.100 -0.032 0.000 0.993 438 T CB 1.860 70.688 68.868 -0.066 0.000 0.939 438 T HN 0.105 nan 8.240 nan 0.000 0.449 439 D N 2.894 123.311 120.400 0.028 0.000 2.382 439 D HA -0.024 4.610 4.640 -0.011 0.000 0.240 439 D C 1.066 177.427 176.300 0.103 0.000 1.146 439 D CA -0.534 53.503 54.000 0.061 0.000 0.897 439 D CB 1.002 41.842 40.800 0.067 0.000 1.197 439 D HN 0.320 nan 8.370 nan 0.000 0.432 440 Q N 0.362 120.223 119.800 0.103 0.000 2.118 440 Q HA -0.309 4.025 4.340 -0.011 0.000 0.211 440 Q C 1.699 177.826 176.000 0.212 0.000 0.998 440 Q CA 1.938 57.817 55.803 0.128 0.000 0.872 440 Q CB -0.440 28.347 28.738 0.082 0.000 0.925 440 Q HN 0.655 nan 8.270 nan 0.000 0.414 441 H N -0.295 118.823 119.070 0.081 0.000 2.321 441 H HA -0.077 4.473 4.556 -0.010 0.000 0.300 441 H C 1.918 177.483 175.328 0.395 0.000 1.087 441 H CA 1.581 57.698 56.048 0.116 0.000 1.319 441 H CB -0.317 29.449 29.762 0.006 0.000 1.379 441 H HN 0.180 nan 8.280 nan 0.000 0.501 442 L N 0.076 121.488 121.223 0.315 0.000 2.056 442 L HA 0.008 4.342 4.340 -0.011 0.000 0.207 442 L C 2.399 179.369 176.870 0.167 0.000 1.078 442 L CA 1.518 56.482 54.840 0.208 0.000 0.749 442 L CB -0.832 41.255 42.059 0.047 0.000 0.901 442 L HN 0.334 nan 8.230 nan 0.000 0.433 443 A N -1.741 121.184 122.820 0.174 0.000 2.225 443 A HA -0.142 4.172 4.320 -0.011 0.000 0.215 443 A C 1.901 179.713 177.584 0.379 0.000 1.164 443 A CA 1.744 53.912 52.037 0.219 0.000 0.710 443 A CB -0.969 18.140 19.000 0.182 0.000 0.780 443 A HN 0.554 nan 8.150 nan 0.000 0.473 444 T N -4.186 110.613 114.554 0.409 0.000 3.040 444 T HA 0.305 4.649 4.350 -0.011 0.000 0.266 444 T C 0.643 175.613 174.700 0.451 0.000 1.005 444 T CA 0.430 62.791 62.100 0.436 0.000 0.906 444 T CB -0.125 68.992 68.868 0.414 0.000 1.082 444 T HN 0.174 nan 8.240 nan 0.000 0.531 445 S N 0.887 116.785 115.700 0.329 0.000 2.565 445 S HA 0.310 4.773 4.470 -0.011 0.000 0.276 445 S C 1.193 175.886 174.600 0.155 0.000 1.326 445 S CA -0.692 57.372 58.200 -0.226 0.000 1.045 445 S CB 0.689 63.624 63.200 -0.443 0.000 0.918 445 S HN 0.420 nan 8.310 nan 0.000 0.505 446 R N 2.454 122.923 120.500 -0.052 0.000 2.276 446 R HA 0.098 4.432 4.340 -0.011 0.000 0.196 446 R C 0.082 176.463 176.300 0.134 0.000 0.961 446 R CA 0.266 56.326 56.100 -0.067 0.000 1.024 446 R CB 0.306 30.366 30.300 -0.400 0.000 0.940 446 R HN 0.704 nan 8.270 nan 0.000 0.480 447 W N 1.880 123.176 121.300 -0.007 0.000 2.336 447 W HA 0.390 5.044 4.660 -0.012 0.000 0.315 447 W C -1.071 175.515 176.519 0.113 0.000 1.016 447 W CA -0.704 56.769 57.345 0.213 0.000 1.318 447 W CB 0.736 30.343 29.460 0.245 0.000 1.247 447 W HN -0.141 nan 8.180 nan 0.000 0.414 448 R N 3.995 124.397 120.500 -0.163 0.000 2.740 448 R HA 0.341 4.675 4.340 -0.011 0.000 0.273 448 R C -0.869 174.711 176.300 -1.201 0.000 0.998 448 R CA -0.971 54.645 56.100 -0.806 0.000 0.900 448 R CB 3.330 32.864 30.300 -1.278 0.000 1.223 448 R HN 0.432 nan 8.270 nan 0.000 0.466 449 K N 1.249 120.614 120.400 -1.726 0.000 2.203 449 K HA 0.590 4.904 4.320 -0.011 0.000 0.251 449 K C -1.224 174.342 176.600 -1.724 0.000 0.944 449 K CA -0.553 54.621 56.287 -1.855 0.000 0.829 449 K CB 1.355 32.395 32.500 -2.432 0.000 1.125 449 K HN 0.249 nan 8.250 nan 0.000 0.430 450 F N 0.540 120.086 119.950 -0.673 0.000 2.569 450 F HA 0.254 4.775 4.527 -0.009 0.000 0.312 450 F C 0.162 175.834 175.800 -0.213 0.000 1.109 450 F CA -0.866 56.855 58.000 -0.464 0.000 0.919 450 F CB 2.336 41.134 39.000 -0.338 0.000 1.211 450 F HN 0.730 nan 8.300 nan 0.000 0.446 451 S N 1.316 117.038 115.700 0.036 0.000 2.603 451 S HA 0.341 4.805 4.470 -0.011 0.000 0.268 451 S C 1.168 175.886 174.600 0.196 0.000 1.317 451 S CA -0.612 57.639 58.200 0.086 0.000 1.012 451 S CB 1.575 64.813 63.200 0.064 0.000 0.926 451 S HN 0.767 nan 8.310 nan 0.000 0.539 452 R N 0.705 121.284 120.500 0.130 0.000 2.081 452 R HA -0.043 4.291 4.340 -0.011 0.000 0.235 452 R C 2.093 178.456 176.300 0.105 0.000 1.131 452 R CA 1.692 57.861 56.100 0.116 0.000 0.960 452 R CB -0.709 29.644 30.300 0.090 0.000 0.856 452 R HN 0.800 nan 8.270 nan 0.000 0.436 453 E N -0.737 119.526 120.200 0.105 0.000 2.110 453 E HA -0.201 4.143 4.350 -0.011 0.000 0.193 453 E C 1.539 178.197 176.600 0.096 0.000 0.988 453 E CA 1.086 57.534 56.400 0.079 0.000 0.804 453 E CB -0.342 29.403 29.700 0.075 0.000 0.745 453 E HN 0.455 nan 8.360 nan 0.000 0.458 454 W N 1.228 122.531 121.300 0.005 0.000 2.378 454 W HA -0.107 4.546 4.660 -0.011 0.000 0.313 454 W C 2.047 178.569 176.519 0.005 0.000 1.197 454 W CA 1.456 58.808 57.345 0.012 0.000 1.304 454 W CB -0.489 28.991 29.460 0.034 0.000 1.148 454 W HN -0.061 nan 8.180 nan 0.000 0.494 455 I N 0.550 121.172 120.570 0.087 0.000 2.264 455 I HA -0.354 3.809 4.170 -0.011 0.000 0.248 455 I C 2.707 178.692 176.117 -0.220 0.000 1.111 455 I CA 1.856 63.076 61.300 -0.133 0.000 1.382 455 I CB -0.786 37.255 38.000 0.068 0.000 1.060 455 I HN 0.055 nan 8.210 nan 0.000 0.418 456 R N 0.528 120.957 120.500 -0.118 0.000 2.070 456 R HA -0.151 4.183 4.340 -0.011 0.000 0.233 456 R C 2.254 178.456 176.300 -0.163 0.000 1.137 456 R CA 2.231 58.266 56.100 -0.109 0.000 0.945 456 R CB -0.292 29.978 30.300 -0.050 0.000 0.845 456 R HN 0.248 nan 8.270 nan 0.000 0.430 457 T N 0.614 115.053 114.554 -0.192 0.000 2.612 457 T HA -0.017 4.327 4.350 -0.011 0.000 0.251 457 T C 1.827 176.341 174.700 -0.311 0.000 1.090 457 T CA 1.251 63.230 62.100 -0.202 0.000 1.198 457 T CB -0.600 68.178 68.868 -0.150 0.000 0.878 457 T HN 0.459 nan 8.240 nan 0.000 0.401 458 A N 1.807 124.308 122.820 -0.531 0.000 1.859 458 A HA -0.148 4.165 4.320 -0.011 0.000 0.217 458 A C 2.152 179.400 177.584 -0.560 0.000 1.198 458 A CA 1.571 53.236 52.037 -0.621 0.000 0.629 458 A CB -0.429 17.889 19.000 -1.138 0.000 0.830 458 A HN 0.245 nan 8.150 nan 0.000 0.446 459 K N 0.094 120.053 120.400 -0.735 0.000 2.487 459 K HA 0.116 4.430 4.320 -0.011 0.000 0.192 459 K C 0.348 176.794 176.600 -0.257 0.000 1.027 459 K CA 0.716 56.728 56.287 -0.459 0.000 1.054 459 K CB -0.108 32.098 32.500 -0.490 0.000 0.824 459 K HN 0.451 nan 8.250 nan 0.000 0.510 460 S N 2.215 117.774 115.700 -0.235 0.000 3.614 460 S HA -0.145 4.319 4.470 -0.011 0.000 0.360 460 S C -0.636 173.894 174.600 -0.117 0.000 1.023 460 S CA 0.878 58.991 58.200 -0.146 0.000 1.114 460 S CB -1.277 61.856 63.200 -0.112 0.000 0.907 460 S HN 0.452 nan 8.310 nan 0.000 0.470 461 D N -0.236 120.088 120.400 -0.126 0.000 2.705 461 D HA -0.134 4.499 4.640 -0.011 0.000 0.240 461 D C -0.106 176.152 176.300 -0.070 0.000 1.137 461 D CA 1.583 55.531 54.000 -0.087 0.000 0.677 461 D CB -1.229 39.528 40.800 -0.071 0.000 1.049 461 D HN 0.643 nan 8.370 nan 0.000 0.427 462 S N -0.295 115.360 115.700 -0.074 0.000 2.521 462 S HA 0.628 5.091 4.470 -0.011 0.000 0.295 462 S C 0.655 175.245 174.600 -0.016 0.000 1.098 462 S CA -0.804 57.377 58.200 -0.033 0.000 0.999 462 S CB 1.208 64.395 63.200 -0.023 0.000 1.034 462 S HN 0.232 nan 8.310 nan 0.000 0.483 463 L N 2.886 124.121 121.223 0.019 0.000 2.741 463 L HA 0.336 4.670 4.340 -0.011 0.000 0.237 463 L C 0.407 177.315 176.870 0.062 0.000 1.178 463 L CA -0.023 54.842 54.840 0.042 0.000 0.973 463 L CB 0.006 42.094 42.059 0.048 0.000 1.255 463 L HN 0.584 nan 8.230 nan 0.000 0.498 464 D N 1.720 122.160 120.400 0.068 0.000 2.845 464 D HA 0.157 4.791 4.640 -0.011 0.000 0.235 464 D C 0.189 176.511 176.300 0.037 0.000 1.158 464 D CA -0.047 53.999 54.000 0.076 0.000 0.990 464 D CB -0.170 40.695 40.800 0.108 0.000 1.094 464 D HN 0.163 nan 8.370 nan 0.000 0.486 465 I N 1.144 121.737 120.570 0.039 0.000 2.352 465 I HA 0.164 4.328 4.170 -0.011 0.000 0.290 465 I C 0.399 176.570 176.117 0.090 0.000 1.036 465 I CA -0.287 61.026 61.300 0.022 0.000 1.336 465 I CB 1.121 39.037 38.000 -0.140 0.000 1.407 465 I HN 0.071 nan 8.210 nan 0.000 0.497 466 S N 6.051 121.826 115.700 0.125 0.000 2.536 466 S HA 0.522 4.986 4.470 -0.011 0.000 0.271 466 S C -0.705 174.028 174.600 0.220 0.000 1.134 466 S CA -0.666 57.562 58.200 0.047 0.000 0.897 466 S CB 1.013 64.177 63.200 -0.060 0.000 1.094 466 S HN 0.687 nan 8.310 nan 0.000 0.473 467 W N 4.284 125.603 121.300 0.032 0.000 1.780 467 W HA 0.555 5.209 4.660 -0.009 0.000 0.256 467 W C -1.387 175.164 176.519 0.053 0.000 0.844 467 W CA -0.625 56.754 57.345 0.055 0.000 1.227 467 W CB 0.008 29.523 29.460 0.093 0.000 1.006 467 W HN 0.365 nan 8.180 nan 0.000 0.493 468 L N 2.222 123.240 121.223 -0.341 0.000 2.341 468 L HA 0.466 4.800 4.340 -0.011 0.000 0.278 468 L C 1.188 178.001 176.870 -0.095 0.000 1.005 468 L CA -0.757 53.989 54.840 -0.155 0.000 0.818 468 L CB 2.246 44.190 42.059 -0.192 0.000 1.259 468 L HN -0.111 nan 8.230 nan 0.000 0.418 469 K N 0.740 121.125 120.400 -0.025 0.000 2.076 469 K HA -0.057 4.256 4.320 -0.011 0.000 0.204 469 K C 0.000 176.591 176.600 -0.015 0.000 1.051 469 K CA 0.889 57.166 56.287 -0.016 0.000 0.949 469 K CB 0.038 32.543 32.500 0.008 0.000 0.726 469 K HN 0.915 nan 8.250 nan 0.000 0.443 470 D N 1.322 121.723 120.400 0.003 0.000 2.735 470 D HA -0.170 4.464 4.640 -0.011 0.000 0.235 470 D C -0.960 175.347 176.300 0.011 0.000 1.175 470 D CA 0.582 54.590 54.000 0.014 0.000 0.683 470 D CB -1.102 39.699 40.800 0.002 0.000 1.008 470 D HN 0.012 nan 8.370 nan 0.000 0.416 471 K N 0.899 121.308 120.400 0.016 0.000 2.436 471 K HA 0.123 4.436 4.320 -0.011 0.000 0.275 471 K C 0.261 176.869 176.600 0.013 0.000 0.999 471 K CA -0.048 56.246 56.287 0.012 0.000 0.980 471 K CB 0.460 32.970 32.500 0.016 0.000 0.919 471 K HN 0.202 nan 8.250 nan 0.000 0.484 472 D N 1.125 121.529 120.400 0.007 0.000 2.500 472 D HA 0.162 4.796 4.640 -0.011 0.000 0.219 472 D C -0.207 176.098 176.300 0.008 0.000 1.137 472 D CA 0.176 54.181 54.000 0.007 0.000 0.946 472 D CB 0.524 41.324 40.800 0.000 0.000 1.022 472 D HN 0.293 nan 8.370 nan 0.000 0.518 473 S N 1.425 117.133 115.700 0.013 0.000 2.570 473 S HA 0.602 5.065 4.470 -0.011 0.000 0.270 473 S C -1.706 172.904 174.600 0.016 0.000 1.149 473 S CA -0.798 57.409 58.200 0.013 0.000 0.837 473 S CB 1.260 64.468 63.200 0.013 0.000 1.124 473 S HN 0.202 nan 8.310 nan 0.000 0.465 474 I N 3.270 123.848 120.570 0.014 0.000 2.355 474 I HA 0.616 4.779 4.170 -0.011 0.000 0.288 474 I C -1.052 175.074 176.117 0.014 0.000 0.999 474 I CA -0.081 61.228 61.300 0.015 0.000 1.163 474 I CB 1.085 39.092 38.000 0.012 0.000 1.316 474 I HN 0.611 nan 8.210 nan 0.000 0.454 475 D N 5.950 126.360 120.400 0.017 0.000 2.732 475 D HA 0.567 5.200 4.640 -0.011 0.000 0.229 475 D C -0.868 175.441 176.300 0.015 0.000 1.152 475 D CA -0.454 53.556 54.000 0.016 0.000 0.854 475 D CB 2.677 43.489 40.800 0.019 0.000 1.590 475 D HN 0.626 nan 8.370 nan 0.000 0.468 476 A N 1.779 124.606 122.820 0.013 0.000 2.483 476 A HA 0.233 4.547 4.320 -0.011 0.000 0.238 476 A C 0.009 177.599 177.584 0.011 0.000 1.070 476 A CA -0.044 51.998 52.037 0.010 0.000 0.770 476 A CB 0.149 19.153 19.000 0.007 0.000 1.008 476 A HN 0.499 nan 8.150 nan 0.000 0.497 477 D N 1.262 121.666 120.400 0.007 0.000 2.638 477 D HA 0.343 4.977 4.640 -0.011 0.000 0.245 477 D C -0.838 175.460 176.300 -0.004 0.000 1.176 477 D CA -0.234 53.770 54.000 0.006 0.000 0.996 477 D CB 0.031 40.835 40.800 0.007 0.000 1.012 477 D HN 0.048 nan 8.370 nan 0.000 0.515 478 S N 1.347 117.044 115.700 -0.005 0.000 2.596 478 S HA 0.662 5.126 4.470 -0.011 0.000 0.318 478 S C -0.698 173.889 174.600 -0.021 0.000 1.097 478 S CA -0.640 57.549 58.200 -0.018 0.000 1.080 478 S CB 0.787 63.977 63.200 -0.017 0.000 0.991 478 S HN 0.278 nan 8.310 nan 0.000 0.471 479 L N 3.199 124.397 121.223 -0.041 0.000 2.540 479 L HA 0.622 4.956 4.340 -0.011 0.000 0.256 479 L C -2.618 174.186 176.870 -0.109 0.000 1.001 479 L CA -1.621 53.188 54.840 -0.051 0.000 0.843 479 L CB 0.747 42.800 42.059 -0.010 0.000 1.436 479 L HN 0.325 nan 8.230 nan 0.000 0.410 480 P HA 0.291 nan 4.420 nan 0.000 0.276 480 P C 0.146 177.371 177.300 -0.124 0.000 1.244 480 P CA -0.468 62.471 63.100 -0.269 0.000 0.801 480 P CB 0.852 32.174 31.700 -0.629 0.000 1.006 481 E N 1.617 121.754 120.200 -0.106 0.000 2.072 481 E HA -0.114 4.230 4.350 -0.011 0.000 0.191 481 E C -0.885 175.714 176.600 -0.002 0.000 0.985 481 E CA 1.873 58.246 56.400 -0.044 0.000 0.801 481 E CB -1.861 27.814 29.700 -0.042 0.000 0.750 481 E HN 0.436 nan 8.360 nan 0.000 0.452 482 P HA -0.100 nan 4.420 nan 0.000 0.221 482 P C 1.086 178.444 177.300 0.095 0.000 1.150 482 P CA 1.195 64.338 63.100 0.072 0.000 0.800 482 P CB 0.012 31.785 31.700 0.122 0.000 0.787 483 D N -0.349 120.110 120.400 0.099 0.000 2.117 483 D HA -0.129 4.504 4.640 -0.011 0.000 0.198 483 D C 1.844 178.191 176.300 0.079 0.000 0.982 483 D CA 1.356 55.427 54.000 0.118 0.000 0.828 483 D CB -0.569 40.304 40.800 0.122 0.000 0.967 483 D HN 0.016 nan 8.370 nan 0.000 0.464 484 V N -0.486 119.460 119.914 0.053 0.000 2.427 484 V HA -0.154 3.959 4.120 -0.011 0.000 0.248 484 V C 2.606 178.741 176.094 0.068 0.000 1.051 484 V CA 1.182 63.516 62.300 0.056 0.000 1.048 484 V CB -0.899 30.948 31.823 0.041 0.000 0.666 484 V HN 0.190 nan 8.190 nan 0.000 0.456 485 L N 1.094 122.354 121.223 0.062 0.000 2.017 485 L HA 0.078 4.412 4.340 -0.011 0.000 0.208 485 L C 1.803 178.714 176.870 0.068 0.000 1.073 485 L CA 1.401 56.279 54.840 0.063 0.000 0.745 485 L CB -0.694 41.397 42.059 0.053 0.000 0.894 485 L HN 0.480 nan 8.230 nan 0.000 0.432 486 A N -0.554 122.307 122.820 0.069 0.000 2.279 486 A HA 0.555 4.869 4.320 -0.011 0.000 0.306 486 A C 1.059 178.686 177.584 0.071 0.000 1.300 486 A CA 0.228 52.306 52.037 0.068 0.000 0.925 486 A CB 0.931 19.969 19.000 0.064 0.000 1.152 486 A HN 0.275 nan 8.150 nan 0.000 0.544 487 A N 2.431 125.296 122.820 0.075 0.000 1.902 487 A HA -0.110 4.204 4.320 -0.011 0.000 0.217 487 A C 1.946 179.569 177.584 0.065 0.000 1.181 487 A CA 1.627 53.710 52.037 0.077 0.000 0.623 487 A CB -0.327 18.726 19.000 0.087 0.000 0.818 487 A HN 0.859 nan 8.150 nan 0.000 0.443 488 E N 0.661 120.897 120.200 0.060 0.000 2.106 488 E HA -0.105 4.238 4.350 -0.011 0.000 0.192 488 E C 1.972 178.600 176.600 0.047 0.000 0.984 488 E CA 1.328 57.758 56.400 0.050 0.000 0.806 488 E CB -0.915 28.812 29.700 0.045 0.000 0.750 488 E HN 0.483 nan 8.360 nan 0.000 0.458 489 A N 1.660 124.512 122.820 0.053 0.000 1.972 489 A HA -0.103 4.210 4.320 -0.011 0.000 0.219 489 A C 2.415 180.035 177.584 0.059 0.000 1.169 489 A CA 1.773 53.843 52.037 0.054 0.000 0.635 489 A CB -0.652 18.389 19.000 0.067 0.000 0.810 489 A HN 0.246 nan 8.150 nan 0.000 0.446 490 M N -0.630 119.008 119.600 0.062 0.000 2.108 490 M HA -0.147 4.326 4.480 -0.011 0.000 0.261 490 M C 2.305 178.636 176.300 0.052 0.000 1.066 490 M CA 1.500 56.838 55.300 0.063 0.000 1.107 490 M CB -0.697 31.938 32.600 0.059 0.000 1.356 490 M HN 0.512 nan 8.290 nan 0.000 0.406 491 G N 0.077 108.903 108.800 0.043 0.000 2.418 491 G HA2 -0.196 3.758 3.960 -0.011 0.000 0.217 491 G HA3 -0.196 3.758 3.960 -0.011 0.000 0.217 491 G C 1.456 176.374 174.900 0.032 0.000 1.158 491 G CA 0.728 45.848 45.100 0.034 0.000 0.771 491 G HN 0.353 nan 8.290 nan 0.000 0.545 492 E N 0.352 120.570 120.200 0.030 0.000 2.072 492 E HA -0.025 4.319 4.350 -0.011 0.000 0.191 492 E C 2.719 179.336 176.600 0.029 0.000 0.985 492 E CA 0.328 56.741 56.400 0.022 0.000 0.801 492 E CB -0.342 29.365 29.700 0.012 0.000 0.750 492 E HN 0.260 nan 8.360 nan 0.000 0.452 493 L N 0.633 121.885 121.223 0.050 0.000 2.046 493 L HA -0.113 4.221 4.340 -0.011 0.000 0.208 493 L C 2.556 179.469 176.870 0.072 0.000 1.077 493 L CA 1.003 55.890 54.840 0.078 0.000 0.747 493 L CB -1.309 40.835 42.059 0.141 0.000 0.896 493 L HN 0.008 nan 8.230 nan 0.000 0.432 494 V N -0.279 119.670 119.914 0.059 0.000 2.407 494 V HA -0.261 3.852 4.120 -0.011 0.000 0.248 494 V C 2.669 178.786 176.094 0.038 0.000 1.055 494 V CA 1.355 63.684 62.300 0.048 0.000 1.049 494 V CB -0.573 31.274 31.823 0.040 0.000 0.662 494 V HN 0.513 nan 8.190 nan 0.000 0.455 495 Q N 0.391 120.209 119.800 0.031 0.000 2.135 495 Q HA -0.227 4.107 4.340 -0.011 0.000 0.204 495 Q C 2.295 178.308 176.000 0.023 0.000 0.981 495 Q CA 2.223 58.040 55.803 0.023 0.000 0.856 495 Q CB -0.302 28.446 28.738 0.016 0.000 0.902 495 Q HN 0.617 nan 8.270 nan 0.000 0.425 496 A N 0.426 123.263 122.820 0.028 0.000 1.933 496 A HA -0.162 4.152 4.320 -0.011 0.000 0.218 496 A C 2.085 179.690 177.584 0.035 0.000 1.175 496 A CA 1.218 53.272 52.037 0.028 0.000 0.628 496 A CB -0.509 18.511 19.000 0.034 0.000 0.814 496 A HN 0.370 nan 8.150 nan 0.000 0.444 497 L N 0.018 121.267 121.223 0.042 0.000 2.083 497 L HA -0.126 4.207 4.340 -0.011 0.000 0.209 497 L C 2.761 179.647 176.870 0.028 0.000 1.083 497 L CA 2.010 56.873 54.840 0.039 0.000 0.752 497 L CB -0.804 41.279 42.059 0.040 0.000 0.899 497 L HN 0.289 nan 8.230 nan 0.000 0.433 498 S N -0.897 114.817 115.700 0.024 0.000 2.359 498 S HA -0.213 4.251 4.470 -0.011 0.000 0.224 498 S C 1.981 176.591 174.600 0.016 0.000 1.035 498 S CA 1.257 59.468 58.200 0.018 0.000 1.018 498 S CB -0.245 62.964 63.200 0.016 0.000 0.876 498 S HN 0.434 nan 8.310 nan 0.000 0.448 499 E N 1.092 121.302 120.200 0.016 0.000 2.106 499 E HA -0.091 4.252 4.350 -0.011 0.000 0.192 499 E C 2.055 178.664 176.600 0.015 0.000 0.984 499 E CA 0.625 57.033 56.400 0.013 0.000 0.806 499 E CB -0.330 29.377 29.700 0.012 0.000 0.750 499 E HN 0.378 nan 8.360 nan 0.000 0.458 500 L N 1.628 122.862 121.223 0.019 0.000 2.046 500 L HA -0.172 4.161 4.340 -0.011 0.000 0.208 500 L C 1.610 178.490 176.870 0.016 0.000 1.077 500 L CA 1.956 56.808 54.840 0.020 0.000 0.747 500 L CB -0.521 41.554 42.059 0.027 0.000 0.896 500 L HN -0.048 nan 8.230 nan 0.000 0.432 501 D N -0.111 120.298 120.400 0.016 0.000 2.117 501 D HA -0.157 4.477 4.640 -0.011 0.000 0.197 501 D C 2.220 178.527 176.300 0.011 0.000 0.987 501 D CA 1.493 55.501 54.000 0.013 0.000 0.829 501 D CB -0.226 40.581 40.800 0.012 0.000 0.961 501 D HN 0.505 nan 8.370 nan 0.000 0.460 502 A N 0.708 123.534 122.820 0.010 0.000 1.902 502 A HA -0.146 4.168 4.320 -0.011 0.000 0.217 502 A C 2.162 179.751 177.584 0.008 0.000 1.181 502 A CA 1.057 53.099 52.037 0.008 0.000 0.623 502 A CB -0.726 18.279 19.000 0.008 0.000 0.818 502 A HN 0.252 nan 8.150 nan 0.000 0.443 503 L N -0.596 120.632 121.223 0.009 0.000 2.093 503 L HA -0.095 4.238 4.340 -0.011 0.000 0.208 503 L C 2.465 179.340 176.870 0.008 0.000 1.085 503 L CA 1.981 56.826 54.840 0.009 0.000 0.755 503 L CB -0.465 41.599 42.059 0.010 0.000 0.904 503 L HN 0.437 nan 8.230 nan 0.000 0.435 504 M N -1.178 118.428 119.600 0.009 0.000 2.159 504 M HA -0.206 4.267 4.480 -0.011 0.000 0.263 504 M C 2.360 178.664 176.300 0.007 0.000 1.063 504 M CA 1.598 56.903 55.300 0.008 0.000 1.110 504 M CB -0.362 32.243 32.600 0.009 0.000 1.374 504 M HN 0.192 nan 8.290 nan 0.000 0.411 505 R N 0.262 120.766 120.500 0.007 0.000 2.081 505 R HA -0.143 4.190 4.340 -0.011 0.000 0.235 505 R C 2.014 178.317 176.300 0.005 0.000 1.131 505 R CA 1.487 57.590 56.100 0.005 0.000 0.960 505 R CB -0.369 29.934 30.300 0.005 0.000 0.856 505 R HN 0.511 nan 8.270 nan 0.000 0.436 506 E N 0.651 120.854 120.200 0.005 0.000 2.077 506 E HA -0.164 4.180 4.350 -0.011 0.000 0.193 506 E C 2.085 178.687 176.600 0.004 0.000 0.989 506 E CA 0.973 57.376 56.400 0.004 0.000 0.800 506 E CB -0.075 29.628 29.700 0.005 0.000 0.746 506 E HN 0.298 nan 8.360 nan 0.000 0.452 507 L N -0.434 120.792 121.223 0.005 0.000 2.046 507 L HA -0.069 4.265 4.340 -0.011 0.000 0.208 507 L C 1.673 178.546 176.870 0.004 0.000 1.077 507 L CA 1.008 55.851 54.840 0.005 0.000 0.747 507 L CB -0.492 41.570 42.059 0.006 0.000 0.896 507 L HN 0.393 nan 8.230 nan 0.000 0.432 508 G N -0.184 108.618 108.800 0.004 0.000 2.149 508 G HA2 -0.223 3.730 3.960 -0.011 0.000 0.235 508 G HA3 -0.223 3.730 3.960 -0.011 0.000 0.235 508 G C 0.330 175.232 174.900 0.003 0.000 1.018 508 G CA -0.029 45.073 45.100 0.003 0.000 0.728 508 G HN 0.576 nan 8.290 nan 0.000 0.508 509 A N 0.200 123.023 122.820 0.004 0.000 2.483 509 A HA 0.663 4.976 4.320 -0.011 0.000 0.238 509 A C 1.230 178.816 177.584 0.003 0.000 1.070 509 A CA 0.961 53.001 52.037 0.004 0.000 0.770 509 A CB 0.247 19.250 19.000 0.004 0.000 1.008 509 A HN 2.071 nan 8.150 nan 0.000 0.497 510 S N 1.045 116.746 115.700 0.002 0.000 2.614 510 S HA 0.351 4.814 4.470 -0.011 0.000 0.265 510 S C -0.212 174.388 174.600 0.001 0.000 1.303 510 S CA -0.174 58.027 58.200 0.001 0.000 1.000 510 S CB 0.748 63.948 63.200 0.000 0.000 0.935 510 S HN 0.738 nan 8.310 nan 0.000 0.551 511 D N 0.319 120.719 120.400 0.001 0.000 2.470 511 D HA 0.293 4.927 4.640 -0.011 0.000 0.226 511 D C -0.297 176.002 176.300 -0.001 0.000 1.196 511 D CA -0.247 53.753 54.000 0.000 0.000 0.979 511 D CB -0.459 40.342 40.800 0.001 0.000 1.059 511 D HN 0.660 nan 8.370 nan 0.000 0.515 512 E N -0.080 120.119 120.200 -0.002 0.000 2.367 512 E HA 0.537 4.881 4.350 -0.011 0.000 0.273 512 E C 0.253 176.849 176.600 -0.006 0.000 0.903 512 E CA -1.236 55.162 56.400 -0.004 0.000 0.764 512 E CB 2.006 31.704 29.700 -0.004 0.000 1.252 512 E HN 0.233 nan 8.360 nan 0.000 0.446 513 A N 1.831 124.646 122.820 -0.009 0.000 1.902 513 A HA -0.201 4.112 4.320 -0.011 0.000 0.217 513 A C 1.366 178.943 177.584 -0.013 0.000 1.181 513 A CA 1.739 53.768 52.037 -0.013 0.000 0.623 513 A CB -0.350 18.640 19.000 -0.017 0.000 0.818 513 A HN 0.601 nan 8.150 nan 0.000 0.443 514 D N 0.113 120.507 120.400 -0.011 0.000 2.117 514 D HA -0.124 4.510 4.640 -0.011 0.000 0.197 514 D C 1.910 178.206 176.300 -0.006 0.000 0.987 514 D CA 0.818 54.812 54.000 -0.010 0.000 0.829 514 D CB -0.240 40.555 40.800 -0.008 0.000 0.961 514 D HN 0.261 nan 8.370 nan 0.000 0.460 515 L N 0.811 122.032 121.223 -0.004 0.000 2.046 515 L HA -0.139 4.195 4.340 -0.011 0.000 0.208 515 L C 2.343 179.213 176.870 0.001 0.000 1.077 515 L CA 1.292 56.131 54.840 -0.001 0.000 0.747 515 L CB -1.203 40.857 42.059 0.001 0.000 0.896 515 L HN 0.149 nan 8.230 nan 0.000 0.432 516 Q N 0.725 120.524 119.800 -0.002 0.000 2.084 516 Q HA -0.191 4.142 4.340 -0.011 0.000 0.202 516 Q C 2.305 178.303 176.000 -0.003 0.000 0.978 516 Q CA 1.420 57.222 55.803 -0.001 0.000 0.844 516 Q CB 0.014 28.749 28.738 -0.005 0.000 0.898 516 Q HN 0.436 nan 8.270 nan 0.000 0.426 517 R N -0.140 120.354 120.500 -0.011 0.000 2.081 517 R HA -0.133 4.201 4.340 -0.011 0.000 0.235 517 R C 2.515 178.812 176.300 -0.005 0.000 1.131 517 R CA 1.602 57.692 56.100 -0.018 0.000 0.960 517 R CB -0.136 30.149 30.300 -0.024 0.000 0.856 517 R HN 0.416 nan 8.270 nan 0.000 0.436 518 Q N 0.467 120.268 119.800 0.001 0.000 2.050 518 Q HA -0.130 4.203 4.340 -0.011 0.000 0.202 518 Q C 2.255 178.265 176.000 0.018 0.000 0.980 518 Q CA 1.273 57.081 55.803 0.008 0.000 0.840 518 Q CB -0.112 28.630 28.738 0.007 0.000 0.898 518 Q HN 0.357 nan 8.270 nan 0.000 0.424 519 L N 0.114 121.348 121.223 0.019 0.000 2.056 519 L HA -0.182 4.152 4.340 -0.011 0.000 0.207 519 L C 2.372 179.268 176.870 0.045 0.000 1.078 519 L CA 0.480 55.336 54.840 0.028 0.000 0.749 519 L CB -0.407 41.667 42.059 0.024 0.000 0.901 519 L HN 0.253 nan 8.230 nan 0.000 0.433 520 L N 0.258 121.507 121.223 0.043 0.000 2.131 520 L HA -0.211 4.123 4.340 -0.011 0.000 0.210 520 L C 2.440 179.378 176.870 0.113 0.000 1.092 520 L CA 1.667 56.550 54.840 0.072 0.000 0.759 520 L CB -0.539 41.530 42.059 0.016 0.000 0.903 520 L HN 0.277 nan 8.230 nan 0.000 0.435 521 E N -0.473 119.769 120.200 0.070 0.000 2.058 521 E HA -0.270 4.074 4.350 -0.011 0.000 0.194 521 E C 1.927 178.595 176.600 0.113 0.000 0.997 521 E CA 1.851 58.302 56.400 0.086 0.000 0.801 521 E CB -0.079 29.648 29.700 0.046 0.000 0.746 521 E HN 0.687 nan 8.360 nan 0.000 0.450 522 E N -0.059 120.188 120.200 0.078 0.000 2.051 522 E HA -0.109 4.234 4.350 -0.011 0.000 0.189 522 E C 2.078 178.718 176.600 0.067 0.000 0.979 522 E CA 0.731 57.168 56.400 0.062 0.000 0.803 522 E CB -0.116 29.607 29.700 0.038 0.000 0.761 522 E HN 0.335 nan 8.360 nan 0.000 0.451 523 A N 1.165 124.032 122.820 0.079 0.000 1.902 523 A HA -0.185 4.129 4.320 -0.011 0.000 0.217 523 A C 1.999 179.633 177.584 0.083 0.000 1.181 523 A CA 1.099 53.177 52.037 0.068 0.000 0.623 523 A CB -0.732 18.311 19.000 0.072 0.000 0.818 523 A HN 0.326 nan 8.150 nan 0.000 0.443 524 F N 1.228 121.180 119.950 0.004 0.000 2.102 524 F HA -0.029 4.491 4.527 -0.011 0.000 0.298 524 F C 2.283 178.086 175.800 0.005 0.000 1.105 524 F CA 1.616 59.619 58.000 0.005 0.000 1.239 524 F CB -0.726 38.276 39.000 0.004 0.000 0.991 524 F HN 0.190 nan 8.300 nan 0.000 0.474 525 G N -0.432 108.368 108.800 -0.001 0.000 2.422 525 G HA2 -0.188 3.766 3.960 -0.011 0.000 0.218 525 G HA3 -0.188 3.766 3.960 -0.011 0.000 0.218 525 G C 1.926 176.735 174.900 -0.151 0.000 1.146 525 G CA 0.649 45.692 45.100 -0.096 0.000 0.769 525 G HN 0.634 nan 8.290 nan 0.000 0.547 526 G N 0.509 109.254 108.800 -0.091 0.000 2.418 526 G HA2 -0.159 3.794 3.960 -0.011 0.000 0.217 526 G HA3 -0.159 3.794 3.960 -0.011 0.000 0.217 526 G C 1.765 176.596 174.900 -0.116 0.000 1.158 526 G CA 1.217 46.272 45.100 -0.076 0.000 0.771 526 G HN 0.323 nan 8.290 nan 0.000 0.545 527 V N 0.747 120.558 119.914 -0.171 0.000 2.407 527 V HA -0.178 3.936 4.120 -0.011 0.000 0.248 527 V C 2.760 178.733 176.094 -0.201 0.000 1.055 527 V CA 2.212 64.408 62.300 -0.174 0.000 1.049 527 V CB -0.436 31.267 31.823 -0.199 0.000 0.662 527 V HN 0.370 nan 8.190 nan 0.000 0.455 528 K N 0.178 120.397 120.400 -0.303 0.000 2.063 528 K HA -0.160 4.154 4.320 -0.011 0.000 0.208 528 K C 1.302 177.823 176.600 -0.132 0.000 1.048 528 K CA 0.956 57.097 56.287 -0.243 0.000 0.928 528 K CB -0.118 32.221 32.500 -0.268 0.000 0.713 528 K HN 0.625 nan 8.250 nan 0.000 0.442 529 E N 0.000 120.134 120.200 -0.110 0.000 2.725 529 E HA 0.000 4.344 4.350 -0.011 0.000 0.291 529 E CA 0.000 56.360 56.400 -0.067 0.000 0.976 529 E CB 0.000 29.669 29.700 -0.051 0.000 0.812 529 E HN 0.000 nan 8.360 nan 0.000 0.440