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_C 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 0.000 176.306 176.300 0.011 0.000 1.140 1 M CA 0.000 55.303 55.300 0.006 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 N N 3.209 121.914 118.700 0.008 0.000 2.371 2 N HA 0.344 5.077 4.740 -0.011 0.000 0.243 2 N C -0.501 175.016 175.510 0.012 0.000 1.287 2 N CA 0.464 53.520 53.050 0.010 0.000 0.911 2 N CB 0.174 38.664 38.487 0.005 0.000 1.142 2 N HN 0.650 nan 8.380 nan 0.000 0.451 3 N N -0.020 118.687 118.700 0.011 0.000 2.492 3 N HA 0.056 4.790 4.740 -0.011 0.000 0.260 3 N C -0.711 174.806 175.510 0.012 0.000 1.215 3 N CA -0.052 53.006 53.050 0.014 0.000 0.923 3 N CB 0.659 39.149 38.487 0.005 0.000 1.092 3 N HN 0.490 nan 8.380 nan 0.000 0.448 4 N N 0.245 118.961 118.700 0.027 0.000 3.379 4 N HA 0.132 4.866 4.740 -0.011 0.000 0.350 4 N C -0.202 175.341 175.510 0.055 0.000 1.553 4 N CA -0.740 52.334 53.050 0.041 0.000 0.712 4 N CB 0.960 39.483 38.487 0.059 0.000 1.880 4 N HN 0.568 nan 8.380 nan 0.000 0.648 5 D N 0.847 121.308 120.400 0.101 0.000 2.191 5 D HA -0.176 4.458 4.640 -0.011 0.000 0.195 5 D C 1.740 178.074 176.300 0.057 0.000 1.003 5 D CA 1.329 55.384 54.000 0.092 0.000 0.867 5 D CB 0.038 41.050 40.800 0.353 0.000 0.926 5 D HN 0.226 nan 8.370 nan 0.000 0.450 6 L N 0.640 121.962 121.223 0.164 0.000 2.072 6 L HA -0.105 4.228 4.340 -0.011 0.000 0.205 6 L C 2.384 179.305 176.870 0.086 0.000 1.079 6 L CA 1.040 55.959 54.840 0.131 0.000 0.752 6 L CB -0.252 41.853 42.059 0.077 0.000 0.906 6 L HN -0.160 nan 8.230 nan 0.000 0.436 7 V N -0.116 119.843 119.914 0.075 0.000 2.407 7 V HA -0.246 3.867 4.120 -0.011 0.000 0.248 7 V C 2.706 178.865 176.094 0.109 0.000 1.055 7 V CA 1.507 63.858 62.300 0.086 0.000 1.049 7 V CB -1.297 30.559 31.823 0.056 0.000 0.662 7 V HN 0.556 nan 8.190 nan 0.000 0.455 8 A N -0.457 122.401 122.820 0.063 0.000 1.968 8 A HA -0.193 4.120 4.320 -0.011 0.000 0.217 8 A C 2.327 180.006 177.584 0.159 0.000 1.169 8 A CA 1.829 53.908 52.037 0.070 0.000 0.638 8 A CB -0.377 18.611 19.000 -0.020 0.000 0.812 8 A HN 0.501 nan 8.150 nan 0.000 0.446 9 K N -0.403 120.045 120.400 0.080 0.000 2.155 9 K HA 0.065 4.378 4.320 -0.011 0.000 0.203 9 K C 1.725 178.386 176.600 0.103 0.000 1.052 9 K CA 0.852 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 -0.680 120.625 121.223 0.136 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 0.774 55.696 54.840 0.137 0.000 0.760 10 L CB -0.401 41.760 42.059 0.169 0.000 0.910 10 L HN 0.389 nan 8.230 nan 0.000 0.437 11 W N 1.703 122.992 121.300 -0.018 0.000 2.355 11 W HA -0.220 4.432 4.660 -0.012 0.000 0.309 11 W C 2.432 178.897 176.519 -0.090 0.000 1.206 11 W CA 1.532 58.847 57.345 -0.050 0.000 1.284 11 W CB -0.003 29.446 29.460 -0.019 0.000 1.145 11 W HN -0.097 nan 8.180 nan 0.000 0.502 12 K N 0.031 120.470 120.400 0.064 0.000 2.103 12 K HA -0.206 4.108 4.320 -0.011 0.000 0.207 12 K C 1.966 178.398 176.600 -0.281 0.000 1.048 12 K CA 1.839 58.023 56.287 -0.172 0.000 0.930 12 K CB -0.721 31.805 32.500 0.044 0.000 0.716 12 K HN 0.319 nan 8.250 nan 0.000 0.444 13 L N 0.398 121.512 121.223 -0.181 0.000 2.093 13 L HA -0.192 4.141 4.340 -0.011 0.000 0.208 13 L C 2.424 179.111 176.870 -0.305 0.000 1.085 13 L CA 0.700 55.437 54.840 -0.171 0.000 0.755 13 L CB -0.532 41.487 42.059 -0.068 0.000 0.904 13 L HN 0.276 nan 8.230 nan 0.000 0.435 14 C N -0.036 118.983 119.300 -0.468 0.000 2.430 14 C HA -0.150 4.304 4.460 -0.011 0.000 0.288 14 C C 2.333 176.840 174.990 -0.804 0.000 1.448 14 C CA 0.670 59.215 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 1.019 121.038 120.400 -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 54.801 54.000 -0.495 0.000 0.851 15 D CB -0.278 40.259 40.800 -0.438 0.000 0.943 15 D HN 0.442 nan 8.370 nan 0.000 0.488 16 N N -0.160 118.382 118.700 -0.263 0.000 2.250 16 N HA -0.049 4.685 4.740 -0.011 0.000 0.181 16 N C 2.041 177.469 175.510 -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 38.355 38.487 -0.120 0.000 0.985 16 N HN 0.301 nan 8.380 nan 0.000 0.429 17 L N 0.968 122.076 121.223 -0.191 0.000 2.056 17 L HA -0.076 4.258 4.340 -0.011 0.000 0.207 17 L C 2.717 179.566 176.870 -0.034 0.000 1.078 17 L CA 0.881 55.663 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 0.490 120.898 120.500 -0.153 0.000 2.080 18 R HA -0.172 4.161 4.340 -0.011 0.000 0.236 18 R C 1.124 177.406 176.300 -0.030 0.000 1.137 18 R CA 1.969 58.026 56.100 -0.071 0.000 0.943 18 R CB -0.137 30.035 30.300 -0.214 0.000 0.846 18 R HN 0.321 nan 8.270 nan 0.000 0.431 19 D N -1.081 119.280 120.400 -0.064 0.000 2.324 19 D HA 0.032 4.666 4.640 -0.011 0.000 0.235 19 D C 0.874 177.165 176.300 -0.015 0.000 1.095 19 D CA 0.646 54.627 54.000 -0.031 0.000 0.871 19 D CB 0.846 41.618 40.800 -0.047 0.000 0.906 19 D HN 0.541 nan 8.370 nan 0.000 0.522 20 G N -0.600 108.197 108.800 -0.006 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 2.201 21 G HA2 -0.206 3.748 3.960 -0.011 0.000 0.212 21 G HA3 -0.206 3.748 3.960 -0.011 0.000 0.212 21 G C 0.232 175.176 174.900 0.073 0.000 0.994 21 G CA 0.010 45.144 45.100 0.056 0.000 0.644 21 G HN 0.659 nan 8.290 nan 0.000 0.508 22 V N 1.779 121.749 119.914 0.094 0.000 2.686 22 V HA 0.601 4.715 4.120 -0.011 0.000 0.295 22 V C 1.242 177.399 176.094 0.106 0.000 1.055 22 V CA 0.513 62.887 62.300 0.124 0.000 1.050 22 V CB 1.523 33.460 31.823 0.190 0.000 0.984 22 V HN 0.581 nan 8.190 nan 0.000 0.482 23 S N 2.684 118.397 115.700 0.021 0.000 2.632 23 S HA 0.270 4.734 4.470 -0.011 0.000 0.267 23 S C 0.702 174.999 174.600 -0.505 0.000 1.276 23 S CA -0.263 57.902 58.200 -0.058 0.000 0.998 23 S CB 0.396 63.594 63.200 -0.005 0.000 0.953 23 S HN 0.512 nan 8.310 nan 0.000 0.547 24 Y N 0.914 120.771 120.300 -0.739 0.000 2.497 24 Y HA -0.002 4.544 4.550 -0.007 0.000 0.292 24 Y C 2.569 178.032 175.900 -0.727 0.000 1.137 24 Y CA 1.149 58.484 58.100 -1.275 0.000 1.285 24 Y CB -0.375 37.785 38.460 -0.500 0.000 0.991 24 Y HN 0.747 nan 8.280 nan 0.000 0.556 25 Q N 0.212 119.876 119.800 -0.226 0.000 2.245 25 Q HA -0.093 4.241 4.340 -0.011 0.000 0.201 25 Q C 0.752 176.717 176.000 -0.058 0.000 0.955 25 Q CA 1.062 56.806 55.803 -0.099 0.000 0.870 25 Q CB 0.139 28.851 28.738 -0.044 0.000 0.945 25 Q HN 0.406 nan 8.270 nan 0.000 0.461 26 N N -0.474 118.186 118.700 -0.067 0.000 2.230 26 N HA -0.019 4.715 4.740 -0.011 0.000 0.202 26 N C 0.577 176.194 175.510 0.178 0.000 1.119 26 N CA 0.036 53.122 53.050 0.060 0.000 0.851 26 N CB 0.209 38.741 38.487 0.073 0.000 0.990 26 N HN 0.220 nan 8.380 nan 0.000 0.497 27 Y N 2.130 122.463 120.300 0.054 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 0.104 0.000 1.164 27 Y CA 1.072 59.197 58.100 0.040 0.000 1.114 27 Y CB -1.269 37.190 38.460 -0.000 0.000 0.961 27 Y HN -0.026 nan 8.280 nan 0.000 0.489 28 V N 0.036 120.113 119.914 0.271 0.000 2.282 28 V HA -0.344 3.770 4.120 -0.011 0.000 0.249 28 V C 2.046 178.451 176.094 0.518 0.000 1.057 28 V CA 2.593 65.045 62.300 0.253 0.000 1.032 28 V CB -1.041 30.650 31.823 -0.220 0.000 0.645 28 V HN 0.585 nan 8.190 nan 0.000 0.447 29 N N -0.025 118.885 118.700 0.349 0.000 2.069 29 N HA -0.243 4.490 4.740 -0.011 0.000 0.191 29 N C 1.945 177.607 175.510 0.254 0.000 1.031 29 N CA 1.999 55.221 53.050 0.287 0.000 0.852 29 N CB -0.139 38.461 38.487 0.188 0.000 1.018 29 N HN 0.657 nan 8.380 nan 0.000 0.423 30 E N 1.068 121.421 120.200 0.255 0.000 2.051 30 E HA -0.140 4.203 4.350 -0.011 0.000 0.192 30 E C 2.304 179.056 176.600 0.253 0.000 0.991 30 E CA 0.621 57.172 56.400 0.252 0.000 0.799 30 E CB -0.423 29.412 29.700 0.226 0.000 0.748 30 E HN 0.486 nan 8.360 nan 0.000 0.449 31 L N 0.547 121.925 121.223 0.258 0.000 2.056 31 L HA -0.135 4.198 4.340 -0.011 0.000 0.207 31 L C 2.626 179.621 176.870 0.209 0.000 1.078 31 L CA 1.077 56.061 54.840 0.240 0.000 0.749 31 L CB -0.632 41.593 42.059 0.276 0.000 0.901 31 L HN 0.059 nan 8.230 nan 0.000 0.433 32 A N 0.561 123.488 122.820 0.177 0.000 1.892 32 A HA -0.273 4.041 4.320 -0.011 0.000 0.218 32 A C 2.555 180.164 177.584 0.043 0.000 1.188 32 A CA 2.391 54.361 52.037 -0.111 0.000 0.631 32 A CB -0.870 17.868 19.000 -0.436 0.000 0.822 32 A HN 0.552 nan 8.150 nan 0.000 0.447 33 S N 0.415 116.210 115.700 0.159 0.000 2.354 33 S HA -0.199 4.265 4.470 -0.011 0.000 0.219 33 S C 1.928 176.786 174.600 0.429 0.000 1.035 33 S CA 1.719 60.128 58.200 0.348 0.000 1.037 33 S CB -1.084 62.388 63.200 0.452 0.000 0.956 33 S HN 0.452 nan 8.310 nan 0.000 0.428 34 L N 1.089 122.530 121.223 0.362 0.000 2.012 34 L HA -0.086 4.248 4.340 -0.011 0.000 0.210 34 L C 2.835 179.796 176.870 0.153 0.000 1.073 34 L CA 1.380 56.434 54.840 0.358 0.000 0.748 34 L CB -0.806 41.437 42.059 0.307 0.000 0.891 34 L HN 0.314 nan 8.230 nan 0.000 0.431 35 L N -1.310 119.962 121.223 0.081 0.000 2.079 35 L HA -0.259 4.075 4.340 -0.011 0.000 0.210 35 L C 2.602 179.390 176.870 -0.137 0.000 1.081 35 L CA 1.293 56.085 54.840 -0.080 0.000 0.752 35 L CB -0.542 41.506 42.059 -0.018 0.000 0.896 35 L HN 0.184 nan 8.230 nan 0.000 0.433 36 F N 0.819 120.703 119.950 -0.111 0.000 2.075 36 F HA -0.231 4.290 4.527 -0.010 0.000 0.297 36 F C 2.237 177.991 175.800 -0.076 0.000 1.113 36 F CA 1.573 59.514 58.000 -0.098 0.000 1.218 36 F CB -0.245 38.754 39.000 -0.001 0.000 0.984 36 F HN -0.134 nan 8.300 nan 0.000 0.472 37 L N 0.113 121.392 121.223 0.093 0.000 2.042 37 L HA -0.244 4.090 4.340 -0.011 0.000 0.210 37 L C 2.461 179.146 176.870 -0.308 0.000 1.076 37 L CA 1.856 56.732 54.840 0.059 0.000 0.749 37 L CB -0.885 41.446 42.059 0.454 0.000 0.893 37 L HN 0.116 nan 8.230 nan 0.000 0.432 38 K N 0.081 119.997 120.400 -0.807 0.000 2.057 38 K HA -0.160 4.153 4.320 -0.011 0.000 0.207 38 K C 2.073 178.225 176.600 -0.746 0.000 1.049 38 K CA 1.527 56.940 56.287 -1.456 0.000 0.931 38 K CB -0.099 31.459 32.500 -1.570 0.000 0.714 38 K HN 0.029 nan 8.250 nan 0.000 0.440 39 M N 0.199 119.458 119.600 -0.568 0.000 2.175 39 M HA -0.124 4.350 4.480 -0.011 0.000 0.264 39 M C 2.360 178.397 176.300 -0.437 0.000 1.063 39 M CA 1.095 56.126 55.300 -0.449 0.000 1.119 39 M CB -1.201 31.100 32.600 -0.498 0.000 1.377 39 M HN 0.245 nan 8.290 nan 0.000 0.415 40 C N 0.163 119.127 119.300 -0.560 0.000 2.425 40 C HA -0.148 4.306 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 0.835 59.558 59.018 -0.493 0.000 1.744 40 C CB -0.893 26.558 27.740 -0.482 0.000 1.989 40 C HN 0.546 nan 8.230 nan 0.000 0.491 41 K N 0.899 121.202 120.400 -0.162 0.000 2.001 41 K HA -0.134 4.179 4.320 -0.011 0.000 0.208 41 K C 1.946 178.531 176.600 -0.025 0.000 1.048 41 K CA 1.282 57.547 56.287 -0.036 0.000 0.932 41 K CB -0.212 32.285 32.500 -0.004 0.000 0.715 41 K HN 0.361 nan 8.250 nan 0.000 0.437 42 E N 0.332 120.493 120.200 -0.065 0.000 2.273 42 E HA -0.162 4.181 4.350 -0.011 0.000 0.198 42 E C 1.852 178.510 176.600 0.096 0.000 1.002 42 E CA 1.085 57.532 56.400 0.079 0.000 0.828 42 E CB -0.344 29.515 29.700 0.265 0.000 0.747 42 E HN 0.339 nan 8.360 nan 0.000 0.491 43 T N -0.845 113.706 114.554 -0.004 0.000 2.867 43 T HA -0.010 4.334 4.350 -0.011 0.000 0.268 43 T C 1.290 176.032 174.700 0.070 0.000 1.057 43 T CA 1.546 63.647 62.100 0.003 0.000 1.136 43 T CB -0.169 68.679 68.868 -0.034 0.000 0.874 43 T HN 0.491 nan 8.240 nan 0.000 0.466 44 G N 0.754 109.602 108.800 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 -0.437 119.454 119.800 0.152 0.000 2.074 45 Q HA 0.253 4.587 4.340 -0.011 0.000 0.265 45 Q C 1.477 177.594 176.000 0.196 0.000 0.855 45 Q CA 0.449 56.327 55.803 0.124 0.000 1.083 45 Q CB 0.370 29.150 28.738 0.070 0.000 1.260 45 Q HN 0.729 nan 8.270 nan 0.000 0.427 46 E N 0.148 120.496 120.200 0.246 0.000 2.333 46 E HA -0.233 4.110 4.350 -0.011 0.000 0.200 46 E C 1.466 178.189 176.600 0.205 0.000 1.010 46 E CA 1.294 57.878 56.400 0.308 0.000 0.841 46 E CB -0.060 29.746 29.700 0.176 0.000 0.757 46 E HN 0.353 nan 8.360 nan 0.000 0.508 47 A N 1.393 124.273 122.820 0.100 0.000 2.070 47 A HA -0.185 4.129 4.320 -0.011 0.000 0.220 47 A C 1.825 179.404 177.584 -0.008 0.000 1.159 47 A CA 1.364 53.432 52.037 0.052 0.000 0.656 47 A CB -0.270 18.748 19.000 0.030 0.000 0.800 47 A HN 0.360 nan 8.150 nan 0.000 0.453 48 E N -2.001 118.119 120.200 -0.134 0.000 2.276 48 E HA -0.027 4.317 4.350 -0.011 0.000 0.193 48 E C 1.264 177.698 176.600 -0.277 0.000 0.983 48 E CA 0.723 56.949 56.400 -0.290 0.000 0.861 48 E CB -0.054 29.329 29.700 -0.529 0.000 0.817 48 E HN 0.850 nan 8.360 nan 0.000 0.485 49 Y N 0.479 120.823 120.300 0.074 0.000 2.314 49 Y HA 0.187 4.731 4.550 -0.010 0.000 0.294 49 Y C 1.157 177.146 175.900 0.149 0.000 1.139 49 Y CA 0.047 58.215 58.100 0.114 0.000 1.162 49 Y CB 0.165 38.680 38.460 0.092 0.000 1.121 49 Y HN -0.173 nan 8.280 nan 0.000 0.529 50 L N 2.939 124.352 121.223 0.317 0.000 2.334 50 L HA 0.405 4.739 4.340 -0.011 0.000 0.275 50 L C -2.382 174.610 176.870 0.203 0.000 1.036 50 L CA -2.289 52.702 54.840 0.252 0.000 0.807 50 L CB 1.184 43.390 42.059 0.245 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 -0.754 176.686 177.300 0.233 0.000 1.228 51 P CA -0.440 62.789 63.100 0.215 0.000 0.786 51 P CB 0.959 32.811 31.700 0.254 0.000 0.927 52 E N 1.057 121.360 120.200 0.172 0.000 2.437 52 E HA 0.188 4.531 4.350 -0.011 0.000 0.263 52 E C 1.166 177.826 176.600 0.099 0.000 1.030 52 E CA 0.902 57.374 56.400 0.119 0.000 0.934 52 E CB -0.490 29.256 29.700 0.077 0.000 0.943 52 E HN 0.785 nan 8.360 nan 0.000 0.444 53 G N 3.232 112.026 108.800 -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 -0.075 174.586 174.900 -0.398 0.000 0.998 53 G CA 0.452 45.413 45.100 -0.231 0.000 0.621 53 G HN 0.551 nan 8.290 nan 0.000 0.524 54 Y N 1.083 121.454 120.300 0.118 0.000 2.470 54 Y HA 0.626 5.169 4.550 -0.011 0.000 0.352 54 Y C 0.854 176.845 175.900 0.153 0.000 0.967 54 Y CA -0.739 57.447 58.100 0.144 0.000 1.121 54 Y CB 0.622 39.091 38.460 0.016 0.000 1.149 54 Y HN 0.216 nan 8.280 nan 0.000 0.641 55 R N -1.165 119.488 120.500 0.255 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 0.275 0.000 1.192 55 R CA -0.881 55.369 56.100 0.251 0.000 1.035 55 R CB 1.212 31.629 30.300 0.195 0.000 1.234 55 R HN 0.517 nan 8.270 nan 0.000 0.493 56 W N 1.357 122.703 121.300 0.077 0.000 2.304 56 W HA -0.296 4.358 4.660 -0.011 0.000 0.315 56 W C 0.461 176.996 176.519 0.026 0.000 1.233 56 W CA 2.061 59.437 57.345 0.051 0.000 1.261 56 W CB 0.018 29.489 29.460 0.017 0.000 1.150 56 W HN 0.608 nan 8.180 nan 0.000 0.494 57 D N 0.332 120.754 120.400 0.036 0.000 2.144 57 D HA -0.174 4.459 4.640 -0.011 0.000 0.199 57 D C 1.591 177.773 176.300 -0.197 0.000 0.984 57 D CA 1.616 55.544 54.000 -0.120 0.000 0.834 57 D CB -0.659 40.127 40.800 -0.024 0.000 0.955 57 D HN 0.170 nan 8.370 nan 0.000 0.465 58 D N -0.263 120.060 120.400 -0.129 0.000 2.219 58 D HA -0.108 4.526 4.640 -0.011 0.000 0.205 58 D C 2.071 178.162 176.300 -0.349 0.000 0.970 58 D CA 0.370 54.223 54.000 -0.246 0.000 0.851 58 D CB 0.060 40.803 40.800 -0.095 0.000 0.943 58 D HN 0.235 nan 8.370 nan 0.000 0.488 59 L N 0.755 121.887 121.223 -0.151 0.000 2.200 59 L HA 0.060 4.394 4.340 -0.011 0.000 0.200 59 L C 1.967 178.609 176.870 -0.380 0.000 1.072 59 L CA 1.297 56.063 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 -0.258 119.754 120.400 -0.646 0.000 2.152 60 K HA -0.166 4.148 4.320 -0.011 0.000 0.206 60 K C 1.969 178.336 176.600 -0.388 0.000 1.048 60 K CA 1.745 57.621 56.287 -0.685 0.000 0.933 60 K CB -0.172 31.712 32.500 -1.027 0.000 0.721 60 K HN 0.612 nan 8.250 nan 0.000 0.447 61 S N -0.028 115.475 115.700 -0.328 0.000 2.436 61 S HA -0.022 4.442 4.470 -0.011 0.000 0.228 61 S C 1.204 175.672 174.600 -0.220 0.000 1.014 61 S CA -0.140 57.916 58.200 -0.239 0.000 0.950 61 S CB -0.082 62.987 63.200 -0.218 0.000 0.784 61 S HN 0.221 nan 8.310 nan 0.000 0.504 62 R N 0.433 120.779 120.500 -0.257 0.000 2.738 62 R HA 0.675 5.008 4.340 -0.011 0.000 0.275 62 R C -0.354 175.855 176.300 -0.152 0.000 1.121 62 R CA 0.035 56.007 56.100 -0.213 0.000 1.207 62 R CB 0.402 30.549 30.300 -0.256 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 4.581 4.170 -0.011 0.000 0.301 63 I C -0.013 176.075 176.117 -0.048 0.000 1.312 63 I CA 0.178 61.430 61.300 -0.080 0.000 1.007 63 I CB 1.860 39.815 38.000 -0.075 0.000 1.281 63 I HN 0.818 nan 8.210 nan 0.000 0.440 64 G N 4.677 113.456 108.800 -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 0.459 175.361 174.900 0.004 0.000 1.264 64 G CA 0.453 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 -0.166 119.642 119.800 0.013 0.000 2.181 65 Q HA -0.110 4.224 4.340 -0.011 0.000 0.205 65 Q C 2.509 178.537 176.000 0.046 0.000 0.980 65 Q CA 1.935 57.757 55.803 0.031 0.000 0.862 65 Q CB -0.255 28.499 28.738 0.026 0.000 0.905 65 Q HN 0.796 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 -0.232 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 0.994 57.414 56.400 0.035 0.000 0.819 66 E CB 0.158 29.851 29.700 -0.010 0.000 0.745 66 E HN 0.354 nan 8.360 nan 0.000 0.477 67 Q N 0.159 119.994 119.800 0.058 0.000 2.123 67 Q HA -0.065 4.268 4.340 -0.011 0.000 0.196 67 Q C 2.292 178.403 176.000 0.186 0.000 0.958 67 Q CA 0.461 56.320 55.803 0.094 0.000 0.841 67 Q CB 0.013 28.748 28.738 -0.004 0.000 0.915 67 Q HN 0.340 nan 8.270 nan 0.000 0.455 68 L N 0.554 121.860 121.223 0.138 0.000 2.046 68 L HA -0.231 4.102 4.340 -0.011 0.000 0.208 68 L C 2.237 179.221 176.870 0.190 0.000 1.077 68 L CA 1.519 56.465 54.840 0.178 0.000 0.747 68 L CB -0.079 42.050 42.059 0.116 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 -0.232 4.102 4.340 -0.011 0.000 0.199 69 Q C 1.992 178.081 176.000 0.148 0.000 0.966 69 Q CA 1.696 57.572 55.803 0.122 0.000 0.845 69 Q CB -0.223 28.574 28.738 0.099 0.000 0.907 69 Q HN 0.483 nan 8.270 nan 0.000 0.439 70 F N 0.181 120.179 119.950 0.080 0.000 2.186 70 F HA -0.230 4.290 4.527 -0.010 0.000 0.299 70 F C 2.093 177.991 175.800 0.164 0.000 1.090 70 F CA 0.982 59.035 58.000 0.088 0.000 1.307 70 F CB -0.211 38.813 39.000 0.040 0.000 1.019 70 F HN 0.039 nan 8.300 nan 0.000 0.489 71 Y N 1.616 121.931 120.300 0.025 0.000 2.181 71 Y HA -0.168 4.375 4.550 -0.011 0.000 0.288 71 Y C 2.521 178.363 175.900 -0.098 0.000 1.146 71 Y CA 1.769 59.844 58.100 -0.041 0.000 1.164 71 Y CB -0.709 37.790 38.460 0.065 0.000 0.982 71 Y HN 0.002 nan 8.280 nan 0.000 0.515 72 R N 0.189 120.630 120.500 -0.098 0.000 2.082 72 R HA -0.213 4.121 4.340 -0.011 0.000 0.234 72 R C 2.415 178.601 176.300 -0.190 0.000 1.136 72 R CA 1.924 57.919 56.100 -0.175 0.000 0.935 72 R CB -0.465 29.799 30.300 -0.059 0.000 0.842 72 R HN 0.249 nan 8.270 nan 0.000 0.430 73 K N 0.738 121.048 120.400 -0.150 0.000 2.152 73 K HA -0.178 4.135 4.320 -0.011 0.000 0.206 73 K C 2.125 178.601 176.600 -0.206 0.000 1.048 73 K CA 1.475 57.682 56.287 -0.133 0.000 0.933 73 K CB -0.039 32.412 32.500 -0.081 0.000 0.721 73 K HN 0.148 nan 8.250 nan 0.000 0.447 74 M N 0.536 119.941 119.600 -0.326 0.000 2.200 74 M HA -0.110 4.364 4.480 -0.011 0.000 0.265 74 M C 1.718 177.826 176.300 -0.320 0.000 1.066 74 M CA 1.224 56.332 55.300 -0.319 0.000 1.127 74 M CB 0.070 32.489 32.600 -0.301 0.000 1.379 74 M HN 0.170 nan 8.290 nan 0.000 0.420 75 L N -0.289 120.731 121.223 -0.339 0.000 2.083 75 L HA -0.178 4.156 4.340 -0.011 0.000 0.209 75 L C 2.223 178.979 176.870 -0.189 0.000 1.083 75 L CA 0.849 55.512 54.840 -0.295 0.000 0.752 75 L CB -0.654 41.205 42.059 -0.334 0.000 0.899 75 L HN 0.232 nan 8.230 nan 0.000 0.433 76 V N -1.419 118.388 119.914 -0.177 0.000 2.407 76 V HA -0.246 3.868 4.120 -0.011 0.000 0.245 76 V C 2.301 178.304 176.094 -0.152 0.000 1.041 76 V CA 1.591 63.813 62.300 -0.130 0.000 1.040 76 V CB -0.746 31.017 31.823 -0.100 0.000 0.671 76 V HN 0.424 nan 8.190 nan 0.000 0.455 77 H N 0.127 119.002 119.070 -0.324 0.000 2.387 77 H HA -0.053 4.497 4.556 -0.011 0.000 0.299 77 H C 2.034 177.140 175.328 -0.369 0.000 1.090 77 H CA 1.678 57.470 56.048 -0.427 0.000 1.332 77 H CB -0.041 29.197 29.762 -0.874 0.000 1.386 77 H HN 0.309 nan 8.280 nan 0.000 0.516 78 L N -1.234 119.832 121.223 -0.262 0.000 2.131 78 L HA 0.026 4.359 4.340 -0.011 0.000 0.206 78 L C 2.448 179.289 176.870 -0.048 0.000 1.087 78 L CA 0.893 55.614 54.840 -0.199 0.000 0.767 78 L CB -0.241 41.569 42.059 -0.416 0.000 0.917 78 L HN 0.380 nan 8.230 nan 0.000 0.441 79 G N -0.578 108.213 108.800 -0.016 0.000 3.061 79 G HA2 -0.012 3.942 3.960 -0.011 0.000 0.208 79 G HA3 -0.012 3.942 3.960 -0.011 0.000 0.208 79 G C 0.364 175.279 174.900 0.025 0.000 1.175 79 G CA 0.037 45.183 45.100 0.077 0.000 0.812 79 G HN 0.242 nan 8.290 nan 0.000 0.523 80 E N 1.170 121.328 120.200 -0.070 0.000 2.502 80 E HA 0.319 4.662 4.350 -0.011 0.000 0.261 80 E C -1.588 174.926 176.600 -0.144 0.000 0.974 80 E CA -0.383 55.965 56.400 -0.087 0.000 0.795 80 E CB 1.573 31.204 29.700 -0.114 0.000 1.385 80 E HN 0.546 nan 8.360 nan 0.000 0.400 81 D N -0.474 119.879 120.400 -0.079 0.000 2.808 81 D HA -0.023 4.610 4.640 -0.011 0.000 0.294 81 D C 0.106 176.387 176.300 -0.032 0.000 1.278 81 D CA -0.618 53.336 54.000 -0.077 0.000 0.756 81 D CB 0.214 40.955 40.800 -0.098 0.000 1.271 81 D HN 0.092 nan 8.370 nan 0.000 0.425 82 D N -1.005 119.381 120.400 -0.023 0.000 2.269 82 D HA -0.030 4.603 4.640 -0.011 0.000 0.208 82 D C 0.455 176.758 176.300 0.004 0.000 0.963 82 D CA 0.796 54.790 54.000 -0.010 0.000 0.864 82 D CB 0.132 40.928 40.800 -0.008 0.000 0.936 82 D HN 0.241 nan 8.370 nan 0.000 0.505 83 K N 0.944 121.354 120.400 0.016 0.000 3.277 83 K HA 0.024 4.338 4.320 -0.011 0.000 0.291 83 K C 1.208 177.838 176.600 0.050 0.000 0.994 83 K CA 0.010 56.321 56.287 0.040 0.000 1.147 83 K CB 0.030 32.566 32.500 0.060 0.000 1.185 83 K HN -0.015 nan 8.250 nan 0.000 0.422 84 K N 0.332 120.748 120.400 0.027 0.000 2.397 84 K HA -0.237 4.077 4.320 -0.011 0.000 0.202 84 K C 1.459 178.083 176.600 0.040 0.000 1.043 84 K CA 1.056 57.355 56.287 0.020 0.000 0.934 84 K CB -0.418 32.078 32.500 -0.007 0.000 0.743 84 K HN 0.401 nan 8.250 nan 0.000 0.485 85 L N 0.221 121.482 121.223 0.063 0.000 1.955 85 L HA -0.230 4.104 4.340 -0.011 0.000 0.213 85 L C 2.211 179.144 176.870 0.105 0.000 1.072 85 L CA 1.494 56.386 54.840 0.085 0.000 0.755 85 L CB -0.293 41.834 42.059 0.113 0.000 0.888 85 L HN -0.055 nan 8.230 nan 0.000 0.432 86 V N -0.338 119.672 119.914 0.161 0.000 2.453 86 V HA -0.272 3.842 4.120 -0.011 0.000 0.247 86 V C 2.325 178.541 176.094 0.204 0.000 1.048 86 V CA 1.699 64.137 62.300 0.230 0.000 1.049 86 V CB -0.741 31.279 31.823 0.328 0.000 0.672 86 V HN 0.615 nan 8.190 nan 0.000 0.457 87 Q N 2.070 121.960 119.800 0.150 0.000 2.197 87 Q HA -0.219 4.115 4.340 -0.011 0.000 0.207 87 Q C 1.968 178.026 176.000 0.096 0.000 0.984 87 Q CA 2.669 58.551 55.803 0.133 0.000 0.869 87 Q CB -0.635 28.144 28.738 0.068 0.000 0.906 87 Q HN 0.520 nan 8.270 nan 0.000 0.426 88 A N 0.154 122.994 122.820 0.032 0.000 1.933 88 A HA -0.083 4.231 4.320 -0.011 0.000 0.218 88 A C 2.252 179.799 177.584 -0.062 0.000 1.175 88 A CA 1.549 53.572 52.037 -0.023 0.000 0.628 88 A CB -0.628 18.345 19.000 -0.045 0.000 0.814 88 A HN 0.308 nan 8.150 nan 0.000 0.444 89 V N -2.069 117.744 119.914 -0.167 0.000 3.041 89 V HA -0.060 4.054 4.120 -0.011 0.000 0.260 89 V C 1.168 176.843 176.094 -0.698 0.000 1.105 89 V CA 1.222 63.228 62.300 -0.490 0.000 1.125 89 V CB -0.755 30.586 31.823 -0.803 0.000 0.730 89 V HN 0.557 nan 8.190 nan 0.000 0.479 90 F N -1.795 118.127 119.950 -0.047 0.000 2.724 90 F HA 0.336 4.857 4.527 -0.011 0.000 0.310 90 F C 0.945 176.746 175.800 0.002 0.000 1.107 90 F CA -0.755 57.227 58.000 -0.030 0.000 1.218 90 F CB -0.031 38.952 39.000 -0.029 0.000 1.042 90 F HN 0.127 nan 8.300 nan 0.000 0.540 91 H N 1.861 120.952 119.070 0.036 0.000 2.848 91 H HA 0.073 4.623 4.556 -0.011 0.000 0.317 91 H C 0.496 175.828 175.328 0.007 0.000 1.046 91 H CA 0.717 56.775 56.048 0.017 0.000 1.470 91 H CB 0.146 29.906 29.762 -0.003 0.000 1.483 91 H HN 0.457 nan 8.280 nan 0.000 0.548 92 N N 1.980 120.406 118.700 -0.457 0.000 2.741 92 N HA -0.228 4.506 4.740 -0.011 0.000 0.251 92 N C -0.139 175.295 175.510 -0.127 0.000 1.112 92 N CA 0.534 53.380 53.050 -0.340 0.000 0.750 92 N CB -0.799 37.442 38.487 -0.410 0.000 1.119 92 N HN 0.413 nan 8.380 nan 0.000 0.561 93 V N -1.119 118.762 119.914 -0.054 0.000 2.481 93 V HA 0.853 4.967 4.120 -0.011 0.000 0.286 93 V C 0.318 176.409 176.094 -0.005 0.000 1.042 93 V CA 0.006 62.310 62.300 0.007 0.000 0.928 93 V CB 1.921 33.792 31.823 0.082 0.000 0.986 93 V HN 0.225 nan 8.190 nan 0.000 0.462 94 S N 2.271 117.968 115.700 -0.005 0.000 2.537 94 S HA 0.557 5.021 4.470 -0.011 0.000 0.270 94 S C -0.432 174.166 174.600 -0.002 0.000 1.142 94 S CA -0.326 57.851 58.200 -0.038 0.000 0.870 94 S CB 1.414 64.590 63.200 -0.041 0.000 1.112 94 S HN 1.281 nan 8.310 nan 0.000 0.466 95 T N 0.818 115.356 114.554 -0.028 0.000 2.913 95 T HA 0.521 4.864 4.350 -0.011 0.000 0.287 95 T C 1.010 175.761 174.700 0.085 0.000 1.008 95 T CA 0.255 62.404 62.100 0.082 0.000 1.067 95 T CB 0.598 69.585 68.868 0.198 0.000 0.996 95 T HN 1.038 nan 8.240 nan 0.000 0.513 96 T N 2.211 116.833 114.554 0.113 0.000 3.215 96 T HA 0.399 4.742 4.350 -0.011 0.000 0.271 96 T C 0.536 175.296 174.700 0.099 0.000 1.012 96 T CA -0.406 61.748 62.100 0.090 0.000 0.899 96 T CB -0.614 68.302 68.868 0.081 0.000 1.089 96 T HN 0.524 nan 8.240 nan 0.000 0.552 97 I N 2.356 123.001 120.570 0.125 0.000 2.428 97 I HA 0.252 4.416 4.170 -0.011 0.000 0.289 97 I C 1.119 177.291 176.117 0.091 0.000 1.019 97 I CA -0.387 60.980 61.300 0.112 0.000 1.351 97 I CB 1.594 39.677 38.000 0.139 0.000 1.412 97 I HN 0.263 nan 8.210 nan 0.000 0.513 98 T N 1.468 116.063 114.554 0.067 0.000 2.989 98 T HA 0.125 4.468 4.350 -0.011 0.000 0.250 98 T C 0.506 175.232 174.700 0.043 0.000 0.981 98 T CA -0.231 61.901 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 3.510 123.732 120.200 0.036 0.000 2.070 99 E HA 0.121 4.465 4.350 -0.011 0.000 0.282 99 E C -1.572 175.039 176.600 0.019 0.000 1.104 99 E CA -2.054 54.359 56.400 0.022 0.000 0.876 99 E CB 1.146 30.854 29.700 0.013 0.000 1.055 99 E HN 0.222 nan 8.360 nan 0.000 0.401 100 P HA -0.215 nan 4.420 nan 0.000 0.218 100 P C 0.652 177.949 177.300 -0.005 0.000 1.148 100 P CA 1.285 64.393 63.100 0.013 0.000 0.822 100 P CB 0.321 32.029 31.700 0.014 0.000 0.784 101 K N -0.715 119.680 120.400 -0.008 0.000 2.217 101 K HA -0.071 4.242 4.320 -0.011 0.000 0.202 101 K C 2.360 178.944 176.600 -0.026 0.000 1.051 101 K CA 0.789 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 0.105 nan 8.250 nan 0.000 0.453 102 Q N 0.786 120.573 119.800 -0.021 0.000 2.123 102 Q HA -0.055 4.279 4.340 -0.011 0.000 0.199 102 Q C 2.099 178.078 176.000 -0.035 0.000 0.966 102 Q CA 0.972 56.757 55.803 -0.029 0.000 0.845 102 Q CB -0.135 28.591 28.738 -0.021 0.000 0.907 102 Q HN 0.392 nan 8.270 nan 0.000 0.439 103 I N 0.469 121.021 120.570 -0.031 0.000 2.252 103 I HA -0.243 3.921 4.170 -0.011 0.000 0.245 103 I C 1.562 177.631 176.117 -0.081 0.000 1.102 103 I CA 1.200 62.465 61.300 -0.058 0.000 1.385 103 I CB 0.001 37.965 38.000 -0.061 0.000 1.064 103 I HN 0.126 nan 8.210 nan 0.000 0.414 104 T N 1.246 115.758 114.554 -0.070 0.000 2.759 104 T HA -0.148 4.196 4.350 -0.011 0.000 0.269 104 T C 1.856 176.516 174.700 -0.066 0.000 1.042 104 T CA 1.420 63.472 62.100 -0.079 0.000 1.140 104 T CB -0.378 68.451 68.868 -0.064 0.000 0.864 104 T HN 0.559 nan 8.240 nan 0.000 0.455 105 A N 0.452 123.241 122.820 -0.052 0.000 2.014 105 A HA 0.187 4.501 4.320 -0.011 0.000 0.218 105 A C 2.234 179.795 177.584 -0.038 0.000 1.163 105 A CA 0.730 52.740 52.037 -0.045 0.000 0.652 105 A CB -0.540 18.432 19.000 -0.046 0.000 0.808 105 A HN 0.468 nan 8.150 nan 0.000 0.449 106 L N -0.622 120.578 121.223 -0.039 0.000 2.071 106 L HA -0.078 4.256 4.340 -0.011 0.000 0.201 106 L C 2.465 179.351 176.870 0.026 0.000 1.076 106 L CA 1.030 55.859 54.840 -0.017 0.000 0.755 106 L CB -0.262 41.784 42.059 -0.022 0.000 0.915 106 L HN 0.231 nan 8.230 nan 0.000 0.445 107 V N 0.218 120.131 119.914 -0.002 0.000 2.324 107 V HA -0.316 3.797 4.120 -0.011 0.000 0.250 107 V C 2.719 178.865 176.094 0.087 0.000 1.060 107 V CA 2.153 64.475 62.300 0.037 0.000 1.042 107 V CB -0.807 30.896 31.823 -0.200 0.000 0.650 107 V HN 0.676 nan 8.190 nan 0.000 0.450 108 S N -0.368 115.334 115.700 0.004 0.000 2.406 108 S HA -0.168 4.296 4.470 -0.011 0.000 0.228 108 S C 1.874 176.503 174.600 0.047 0.000 1.020 108 S CA 1.197 59.408 58.200 0.019 0.000 0.965 108 S CB -0.567 62.618 63.200 -0.025 0.000 0.798 108 S HN 0.594 nan 8.310 nan 0.000 0.488 109 N N 2.598 121.320 118.700 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 2.085 55.152 53.050 0.028 0.000 0.847 109 N CB -0.382 38.109 38.487 0.006 0.000 1.030 109 N HN 0.774 nan 8.380 nan 0.000 0.422 110 M N -0.957 118.699 119.600 0.093 0.000 2.492 110 M HA 0.066 4.540 4.480 -0.011 0.000 0.262 110 M C 1.292 177.653 176.300 0.102 0.000 1.090 110 M CA 1.286 56.643 55.300 0.096 0.000 1.110 110 M CB -0.126 32.539 32.600 0.108 0.000 1.407 110 M HN -0.224 nan 8.290 nan 0.000 0.470 111 D N 1.900 122.420 120.400 0.201 0.000 2.178 111 D HA -0.117 4.516 4.640 -0.011 0.000 0.201 111 D C 1.381 177.728 176.300 0.079 0.000 0.980 111 D CA 1.692 55.842 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 0.569 nan 8.370 nan 0.000 0.472 112 S N -0.024 115.704 115.700 0.047 0.000 2.618 112 S HA 0.197 4.660 4.470 -0.011 0.000 0.242 112 S C 0.754 175.343 174.600 -0.018 0.000 0.972 112 S CA -0.787 57.412 58.200 -0.001 0.000 1.004 112 S CB -0.771 62.429 63.200 0.001 0.000 0.778 112 S HN 0.394 nan 8.310 nan 0.000 0.459 113 L N -0.458 120.757 121.223 -0.012 0.000 2.431 113 L HA 0.645 4.978 4.340 -0.011 0.000 0.260 113 L C -0.259 176.593 176.870 -0.029 0.000 1.098 113 L CA -0.698 54.150 54.840 0.014 0.000 0.800 113 L CB 0.820 42.924 42.059 0.075 0.000 1.210 113 L HN 0.024 nan 8.230 nan 0.000 0.465 114 D N 0.575 121.008 120.400 0.056 0.000 2.385 114 D HA 0.175 4.808 4.640 -0.011 0.000 0.254 114 D C -0.378 176.088 176.300 0.277 0.000 1.053 114 D CA -0.536 53.484 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 4.635 4.660 -0.011 0.000 0.303 115 W C 1.264 177.856 176.519 0.122 0.000 1.297 115 W CA -0.893 56.619 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 2.008 122.417 120.300 0.182 0.000 2.096 116 Y HA -0.307 4.237 4.550 -0.011 0.000 0.278 116 Y C 0.662 176.573 175.900 0.018 0.000 1.192 116 Y CA 1.782 59.926 58.100 0.073 0.000 1.143 116 Y CB -0.403 38.078 38.460 0.034 0.000 0.963 116 Y HN -0.194 nan 8.280 nan 0.000 0.505 117 N N 0.957 119.629 118.700 -0.045 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 0.574 53.488 53.050 -0.227 0.000 0.947 117 N CB 1.295 39.648 38.487 -0.224 0.000 1.111 117 N HN 0.491 nan 8.380 nan 0.000 0.497 118 G N -0.066 108.651 108.800 -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 -1.459 173.372 174.900 -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 -2.144 120.601 122.820 -0.124 0.000 2.428 119 A HA 0.605 4.918 4.320 -0.011 0.000 0.304 119 A C -1.162 176.329 177.584 -0.155 0.000 1.085 119 A CA -0.768 51.189 52.037 -0.133 0.000 0.605 119 A CB -0.132 18.833 19.000 -0.058 0.000 1.393 119 A HN 0.777 nan 8.150 nan 0.000 0.541 120 H N 0.560 119.594 119.070 -0.060 0.000 2.964 120 H HA 0.400 4.950 4.556 -0.011 0.000 0.328 120 H C 1.121 176.400 175.328 -0.081 0.000 1.030 120 H CA 1.953 57.968 56.048 -0.056 0.000 1.445 120 H CB 0.255 29.993 29.762 -0.040 0.000 1.449 120 H HN 1.912 nan 8.280 nan 0.000 0.581 121 G N 2.303 111.102 108.800 -0.002 0.000 2.829 121 G HA2 -0.243 3.711 3.960 -0.011 0.000 0.628 121 G HA3 -0.243 3.711 3.960 -0.011 0.000 0.628 121 G C -0.293 174.486 174.900 -0.201 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 -0.184 120.048 120.400 -0.278 0.000 2.350 122 K HA 0.454 4.768 4.320 -0.011 0.000 0.279 122 K C 0.293 176.737 176.600 -0.260 0.000 1.027 122 K CA 0.295 56.305 56.287 -0.461 0.000 0.969 122 K CB 0.146 32.346 32.500 -0.499 0.000 0.954 122 K HN 0.400 nan 8.250 nan 0.000 0.474 123 S N 4.515 120.097 115.700 -0.197 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 -0.041 0.000 0.974 123 S CB 0.351 63.521 63.200 -0.050 0.000 1.336 123 S HN 0.591 nan 8.310 nan 0.000 0.488 124 R N 1.632 122.157 120.500 0.041 0.000 2.115 124 R HA -0.093 4.241 4.340 -0.011 0.000 0.230 124 R C 1.839 178.225 176.300 0.143 0.000 1.111 124 R CA 1.478 57.632 56.100 0.090 0.000 0.976 124 R CB -0.271 29.992 30.300 -0.062 0.000 0.870 124 R HN 0.586 nan 8.270 nan 0.000 0.445 125 D N 1.121 121.544 120.400 0.039 0.000 2.144 125 D HA -0.200 4.434 4.640 -0.011 0.000 0.199 125 D C 0.965 177.274 176.300 0.014 0.000 0.984 125 D CA 1.217 55.210 54.000 -0.012 0.000 0.834 125 D CB -0.350 40.415 40.800 -0.059 0.000 0.955 125 D HN 0.072 nan 8.370 nan 0.000 0.465 126 D N 0.087 120.494 120.400 0.012 0.000 2.117 126 D HA -0.105 4.529 4.640 -0.011 0.000 0.197 126 D C 2.034 178.289 176.300 -0.075 0.000 0.987 126 D CA 0.673 54.626 54.000 -0.079 0.000 0.829 126 D CB -0.671 40.003 40.800 -0.209 0.000 0.961 126 D HN 0.273 nan 8.370 nan 0.000 0.460 127 F N 1.201 121.170 119.950 0.032 0.000 2.134 127 F HA -0.032 4.489 4.527 -0.011 0.000 0.299 127 F C 2.645 178.507 175.800 0.103 0.000 1.097 127 F CA 1.328 59.373 58.000 0.075 0.000 1.264 127 F CB -0.885 38.145 39.000 0.051 0.000 1.001 127 F HN 0.012 nan 8.300 nan 0.000 0.479 128 G N -0.855 108.091 108.800 0.242 0.000 2.418 128 G HA2 -0.288 3.665 3.960 -0.011 0.000 0.217 128 G HA3 -0.288 3.665 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 1.167 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 0.116 120.581 120.400 0.109 0.000 2.117 129 D HA -0.081 4.552 4.640 -0.011 0.000 0.198 129 D C 2.561 178.927 176.300 0.110 0.000 0.982 129 D CA 0.705 54.760 54.000 0.091 0.000 0.828 129 D CB -0.142 40.676 40.800 0.031 0.000 0.967 129 D HN 0.120 nan 8.370 nan 0.000 0.464 130 M N -0.512 119.148 119.600 0.100 0.000 2.175 130 M HA -0.153 4.321 4.480 -0.011 0.000 0.264 130 M C 2.121 178.509 176.300 0.147 0.000 1.063 130 M CA 0.877 56.233 55.300 0.093 0.000 1.119 130 M CB -1.294 31.340 32.600 0.057 0.000 1.377 130 M HN 0.177 nan 8.290 nan 0.000 0.415 131 Y N 1.937 122.295 120.300 0.096 0.000 2.128 131 Y HA -0.218 4.326 4.550 -0.010 0.000 0.284 131 Y C 2.304 178.266 175.900 0.103 0.000 1.154 131 Y CA 1.786 59.955 58.100 0.115 0.000 1.149 131 Y CB -0.099 38.436 38.460 0.126 0.000 0.976 131 Y HN 0.224 nan 8.280 nan 0.000 0.505 132 E N -0.327 119.958 120.200 0.142 0.000 2.072 132 E HA -0.141 4.203 4.350 -0.011 0.000 0.191 132 E C 2.457 179.059 176.600 0.002 0.000 0.985 132 E CA 1.122 57.556 56.400 0.057 0.000 0.801 132 E CB -0.872 28.914 29.700 0.143 0.000 0.750 132 E HN 0.618 nan 8.360 nan 0.000 0.452 133 G N 1.507 110.327 108.800 0.034 0.000 2.418 133 G HA2 -0.237 3.717 3.960 -0.011 0.000 0.217 133 G HA3 -0.237 3.717 3.960 -0.011 0.000 0.217 133 G C 1.635 176.542 174.900 0.011 0.000 1.158 133 G CA 0.714 45.832 45.100 0.030 0.000 0.771 133 G HN 0.220 nan 8.290 nan 0.000 0.545 134 L N 0.393 121.612 121.223 -0.008 0.000 2.093 134 L HA 0.168 4.502 4.340 -0.011 0.000 0.208 134 L C 2.499 179.352 176.870 -0.030 0.000 1.085 134 L CA 1.249 56.092 54.840 0.004 0.000 0.755 134 L CB -0.363 41.707 42.059 0.018 0.000 0.904 134 L HN 0.244 nan 8.230 nan 0.000 0.435 135 L N -0.921 120.223 121.223 -0.132 0.000 2.083 135 L HA -0.249 4.085 4.340 -0.011 0.000 0.209 135 L C 2.561 179.416 176.870 -0.026 0.000 1.083 135 L CA 1.677 56.439 54.840 -0.131 0.000 0.752 135 L CB -0.251 41.675 42.059 -0.222 0.000 0.899 135 L HN 0.535 nan 8.230 nan 0.000 0.433 136 Q N 0.059 119.862 119.800 0.005 0.000 2.084 136 Q HA -0.265 4.069 4.340 -0.011 0.000 0.202 136 Q C 2.112 178.106 176.000 -0.010 0.000 0.978 136 Q CA 1.757 57.588 55.803 0.046 0.000 0.844 136 Q CB 0.044 28.827 28.738 0.075 0.000 0.898 136 Q HN 0.488 nan 8.270 nan 0.000 0.426 137 K N 0.336 120.738 120.400 0.003 0.000 2.057 137 K HA -0.160 4.154 4.320 -0.011 0.000 0.207 137 K C 2.002 178.600 176.600 -0.003 0.000 1.049 137 K CA 1.377 57.665 56.287 0.001 0.000 0.931 137 K CB -0.259 32.271 32.500 0.050 0.000 0.714 137 K HN 0.349 nan 8.250 nan 0.000 0.440 138 N N 0.709 119.424 118.700 0.025 0.000 2.142 138 N HA -0.135 4.599 4.740 -0.011 0.000 0.186 138 N C 1.809 177.294 175.510 -0.041 0.000 1.023 138 N CA 1.000 54.064 53.050 0.024 0.000 0.852 138 N CB 0.037 38.546 38.487 0.036 0.000 0.998 138 N HN 0.139 nan 8.380 nan 0.000 0.424 139 A N 1.213 124.002 122.820 -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 1.149 53.142 52.037 -0.073 0.000 0.636 139 A CB -0.426 18.629 19.000 0.091 0.000 0.810 139 A HN 0.399 nan 8.150 nan 0.000 0.448 140 N N -0.149 118.347 118.700 -0.341 0.000 2.354 140 N HA -0.060 4.674 4.740 -0.011 0.000 0.179 140 N C 0.700 176.128 175.510 -0.136 0.000 1.021 140 N CA 0.379 53.158 53.050 -0.453 0.000 0.887 140 N CB -0.031 38.226 38.487 -0.383 0.000 0.974 140 N HN 0.745 nan 8.380 nan 0.000 0.437 141 E N 0.772 120.942 120.200 -0.051 0.000 2.338 141 E HA -0.007 4.337 4.350 -0.011 0.000 0.272 141 E C 1.016 177.689 176.600 0.120 0.000 1.029 141 E CA -0.060 56.350 56.400 0.017 0.000 0.872 141 E CB 1.117 30.820 29.700 0.004 0.000 1.015 141 E HN -0.004 nan 8.360 nan 0.000 0.417 142 T N 3.990 118.620 114.554 0.126 0.000 2.668 142 T HA -0.142 4.202 4.350 -0.011 0.000 0.262 142 T C 1.442 176.219 174.700 0.129 0.000 1.045 142 T CA 1.396 63.601 62.100 0.176 0.000 1.152 142 T CB 0.001 68.860 68.868 -0.016 0.000 0.864 142 T HN 0.411 nan 8.240 nan 0.000 0.419 143 K N 1.919 122.313 120.400 -0.009 0.000 2.144 143 K HA -0.128 4.185 4.320 -0.011 0.000 0.209 143 K C 2.731 179.304 176.600 -0.045 0.000 1.047 143 K CA 1.844 58.090 56.287 -0.068 0.000 0.927 143 K CB -1.266 31.111 32.500 -0.206 0.000 0.716 143 K HN 0.716 nan 8.250 nan 0.000 0.454 144 S N -0.511 115.166 115.700 -0.039 0.000 2.356 144 S HA -0.072 4.392 4.470 -0.011 0.000 0.223 144 S C 1.832 176.421 174.600 -0.018 0.000 1.032 144 S CA 1.680 59.858 58.200 -0.037 0.000 1.005 144 S CB -0.559 62.618 63.200 -0.039 0.000 0.867 144 S HN 0.514 nan 8.310 nan 0.000 0.449 145 G N 0.682 109.488 108.800 0.011 0.000 2.195 145 G HA2 -0.193 3.760 3.960 -0.011 0.000 0.246 145 G HA3 -0.193 3.760 3.960 -0.011 0.000 0.246 145 G C 1.013 175.801 174.900 -0.186 0.000 0.984 145 G CA 0.452 45.540 45.100 -0.019 0.000 0.633 145 G HN 1.356 nan 8.290 nan 0.000 0.525 146 A N 0.620 123.323 122.820 -0.194 0.000 2.067 146 A HA 0.376 4.690 4.320 -0.011 0.000 0.219 146 A C 2.701 180.100 177.584 -0.309 0.000 1.158 146 A CA 2.033 53.965 52.037 -0.174 0.000 0.661 146 A CB -0.845 18.102 19.000 -0.088 0.000 0.801 146 A HN 1.644 nan 8.150 nan 0.000 0.452 147 G N -0.878 107.466 108.800 -0.759 0.000 2.501 147 G HA2 -0.228 3.726 3.960 -0.011 0.000 0.220 147 G HA3 -0.228 3.726 3.960 -0.011 0.000 0.220 147 G C 1.433 175.924 174.900 -0.682 0.000 1.114 147 G CA 0.893 45.275 45.100 -1.197 0.000 0.757 147 G HN 0.483 nan 8.290 nan 0.000 0.559 148 Q N -0.117 119.361 119.800 -0.537 0.000 2.061 148 Q HA -0.113 4.220 4.340 -0.011 0.000 0.204 148 Q C 0.506 176.408 176.000 -0.163 0.000 0.984 148 Q CA 0.969 56.606 55.803 -0.275 0.000 0.846 148 Q CB -0.317 28.172 28.738 -0.416 0.000 0.902 148 Q HN 0.578 nan 8.270 nan 0.000 0.421 149 Y N -0.209 120.083 120.300 -0.014 0.000 2.849 149 Y HA 0.268 4.815 4.550 -0.006 0.000 0.356 149 Y C -0.688 175.290 175.900 0.129 0.000 1.236 149 Y CA -1.365 56.759 58.100 0.040 0.000 1.508 149 Y CB -0.397 38.067 38.460 0.007 0.000 1.619 149 Y HN -0.085 nan 8.280 nan 0.000 0.513 150 F N 0.445 120.506 119.950 0.185 0.000 2.547 150 F HA 0.733 5.252 4.527 -0.012 0.000 0.316 150 F C -0.798 175.115 175.800 0.188 0.000 1.121 150 F CA -0.676 57.401 58.000 0.128 0.000 0.911 150 F CB 1.668 40.709 39.000 0.068 0.000 1.179 150 F HN -0.081 nan 8.300 nan 0.000 0.443 151 T N 6.501 120.502 114.554 -0.922 0.000 2.928 151 T HA 0.356 4.700 4.350 -0.011 0.000 0.296 151 T C -2.888 171.156 174.700 -1.093 0.000 1.000 151 T CA -1.358 60.272 62.100 -0.783 0.000 0.989 151 T CB 1.791 70.526 68.868 -0.221 0.000 1.005 151 T HN 0.310 nan 8.240 nan 0.000 0.442 152 P HA 0.025 nan 4.420 nan 0.000 0.255 152 P C 1.127 178.248 177.300 -0.299 0.000 1.161 152 P CA -0.061 62.738 63.100 -0.501 0.000 0.768 152 P CB 0.460 32.007 31.700 -0.255 0.000 0.746 153 R N 7.435 127.814 120.500 -0.202 0.000 2.112 153 R HA -0.173 4.160 4.340 -0.011 0.000 0.242 153 R C -0.735 175.482 176.300 -0.139 0.000 1.137 153 R CA 2.434 58.438 56.100 -0.159 0.000 0.944 153 R CB -2.028 28.231 30.300 -0.069 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 1.521 178.776 177.300 -0.075 0.000 1.145 154 P CA 0.945 63.977 63.100 -0.113 0.000 0.795 154 P CB -0.119 31.470 31.700 -0.185 0.000 0.775 155 L N -0.618 120.582 121.223 -0.039 0.000 2.095 155 L HA 0.010 4.343 4.340 -0.011 0.000 0.204 155 L C 2.595 179.447 176.870 -0.031 0.000 1.080 155 L CA 1.308 56.164 54.840 0.028 0.000 0.759 155 L CB -1.003 41.075 42.059 0.031 0.000 0.914 155 L HN -0.213 nan 8.230 nan 0.000 0.439 156 I N -0.333 120.112 120.570 -0.207 0.000 2.113 156 I HA -0.340 3.823 4.170 -0.011 0.000 0.238 156 I C 2.554 178.564 176.117 -0.178 0.000 1.070 156 I CA 1.646 62.703 61.300 -0.404 0.000 1.332 156 I CB -0.524 37.080 38.000 -0.660 0.000 1.044 156 I HN 0.322 nan 8.210 nan 0.000 0.402 157 K N 0.788 121.105 120.400 -0.138 0.000 2.034 157 K HA -0.250 4.064 4.320 -0.011 0.000 0.214 157 K C 2.055 178.656 176.600 0.002 0.000 1.051 157 K CA 2.544 58.792 56.287 -0.064 0.000 0.931 157 K CB -0.243 32.212 32.500 -0.075 0.000 0.715 157 K HN 0.264 nan 8.250 nan 0.000 0.446 158 T N 1.706 116.266 114.554 0.011 0.000 2.720 158 T HA -0.128 4.216 4.350 -0.011 0.000 0.268 158 T C 1.918 176.691 174.700 0.121 0.000 1.037 158 T CA 1.596 63.739 62.100 0.072 0.000 1.144 158 T CB -0.158 68.762 68.868 0.086 0.000 0.864 158 T HN 0.226 nan 8.240 nan 0.000 0.444 159 I N 0.239 120.903 120.570 0.158 0.000 2.179 159 I HA -0.149 4.015 4.170 -0.011 0.000 0.242 159 I C 2.104 178.299 176.117 0.130 0.000 1.088 159 I CA 1.175 62.614 61.300 0.232 0.000 1.357 159 I CB -0.294 37.913 38.000 0.345 0.000 1.051 159 I HN 0.170 nan 8.210 nan 0.000 0.409 160 I N 0.103 120.720 120.570 0.079 0.000 2.394 160 I HA -0.283 3.881 4.170 -0.011 0.000 0.251 160 I C 2.493 178.472 176.117 -0.229 0.000 1.136 160 I CA 1.514 62.791 61.300 -0.039 0.000 1.425 160 I CB -0.808 37.177 38.000 -0.024 0.000 1.079 160 I HN 0.231 nan 8.210 nan 0.000 0.425 161 H N 0.297 119.241 119.070 -0.211 0.000 2.389 161 H HA -0.036 4.514 4.556 -0.011 0.000 0.299 161 H C 1.962 177.147 175.328 -0.237 0.000 1.081 161 H CA 1.680 57.590 56.048 -0.230 0.000 1.345 161 H CB -0.035 29.679 29.762 -0.080 0.000 1.393 161 H HN 0.263 nan 8.280 nan 0.000 0.520 162 L N -0.428 120.629 121.223 -0.276 0.000 2.341 162 L HA 0.008 4.341 4.340 -0.011 0.000 0.214 162 L C 1.913 178.647 176.870 -0.226 0.000 1.115 162 L CA 0.284 54.892 54.840 -0.386 0.000 0.820 162 L CB 0.011 41.708 42.059 -0.603 0.000 0.944 162 L HN 0.287 nan 8.230 nan 0.000 0.452 163 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 0.551 177.312 176.870 -0.181 0.000 1.099 163 L CA 0.163 54.940 54.840 -0.105 0.000 0.816 163 L CB -0.067 41.965 42.059 -0.045 0.000 0.952 163 L HN 0.137 nan 8.230 nan 0.000 0.455 164 K N 0.377 120.561 120.400 -0.359 0.000 3.689 164 K HA -0.149 4.165 4.320 -0.011 0.000 0.276 164 K C -2.280 174.244 176.600 -0.127 0.000 0.932 164 K CA -0.223 55.831 56.287 -0.389 0.000 0.758 164 K CB -1.444 30.971 32.500 -0.142 0.000 1.500 164 K HN 0.231 nan 8.250 nan 0.000 0.448 165 P HA -0.044 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 0.379 63.529 63.100 0.084 0.000 0.765 165 P CB 0.835 32.621 31.700 0.143 0.000 0.828 166 Q N 3.618 123.498 119.800 0.133 0.000 2.215 166 Q HA 0.454 4.787 4.340 -0.011 0.000 0.256 166 Q C -2.075 173.986 176.000 0.100 0.000 0.972 166 Q CA -2.167 53.708 55.803 0.120 0.000 0.889 166 Q CB 0.627 29.401 28.738 0.061 0.000 1.281 166 Q HN 0.406 nan 8.270 nan 0.000 0.456 167 P HA 0.081 nan 4.420 nan 0.000 0.270 167 P C 0.056 177.370 177.300 0.022 0.000 1.223 167 P CA 0.071 63.227 63.100 0.094 0.000 0.785 167 P CB 0.719 32.472 31.700 0.088 0.000 0.923 168 R N -2.015 118.516 120.500 0.052 0.000 3.840 168 R HA -0.128 4.205 4.340 -0.011 0.000 0.464 168 R C -0.262 175.990 176.300 -0.081 0.000 0.986 168 R CA 1.111 57.058 56.100 -0.256 0.000 1.305 168 R CB -1.703 28.381 30.300 -0.360 0.000 1.950 168 R HN 0.681 nan 8.270 nan 0.000 0.526 169 E N 0.961 121.207 120.200 0.076 0.000 2.197 169 E HA 0.346 4.689 4.350 -0.011 0.000 0.281 169 E C -0.272 176.506 176.600 0.297 0.000 0.995 169 E CA -0.527 55.952 56.400 0.132 0.000 0.808 169 E CB 1.934 31.663 29.700 0.048 0.000 1.093 169 E HN -0.145 nan 8.360 nan 0.000 0.394 170 V N 4.174 124.406 119.914 0.531 0.000 2.408 170 V HA 0.077 4.191 4.120 -0.011 0.000 0.267 170 V C -0.020 176.130 176.094 0.093 0.000 1.047 170 V CA -0.439 61.977 62.300 0.194 0.000 0.937 170 V CB 1.021 32.951 31.823 0.178 0.000 0.999 170 V HN 0.397 nan 8.190 nan 0.000 0.472 171 V N 6.004 125.910 119.914 -0.012 0.000 2.370 171 V HA 0.391 4.504 4.120 -0.011 0.000 0.279 171 V C 0.080 176.232 176.094 0.096 0.000 1.029 171 V CA -0.396 61.958 62.300 0.090 0.000 0.870 171 V CB 1.285 33.250 31.823 0.236 0.000 0.984 171 V HN 0.929 nan 8.190 nan 0.000 0.451 172 Q N 3.011 122.847 119.800 0.060 0.000 2.257 172 Q HA 0.446 4.780 4.340 -0.011 0.000 0.262 172 Q C -1.470 174.551 176.000 0.035 0.000 0.997 172 Q CA -0.657 55.175 55.803 0.048 0.000 0.873 172 Q CB 2.067 30.823 28.738 0.030 0.000 1.312 172 Q HN 0.744 nan 8.270 nan 0.000 0.450 173 D N 3.388 123.805 120.400 0.029 0.000 2.358 173 D HA 0.274 4.908 4.640 -0.011 0.000 0.253 173 D C -2.205 174.093 176.300 -0.002 0.000 1.288 173 D CA -1.829 52.163 54.000 -0.015 0.000 0.950 173 D CB 1.843 42.634 40.800 -0.015 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 0.155 177.518 177.300 0.105 0.000 1.146 174 P CA 0.826 63.964 63.100 0.063 0.000 0.808 174 P CB 0.418 32.221 31.700 0.171 0.000 0.779 175 A N -1.480 121.341 122.820 0.002 0.000 3.214 175 A HA 0.645 4.959 4.320 -0.011 0.000 0.304 175 A C 1.536 178.988 177.584 -0.219 0.000 0.969 175 A CA 0.157 52.134 52.037 -0.099 0.000 0.986 175 A CB -0.478 18.386 19.000 -0.228 0.000 1.073 175 A HN 0.053 nan 8.150 nan 0.000 0.487 176 A N 0.493 123.218 122.820 -0.159 0.000 1.909 176 A HA 0.165 4.479 4.320 -0.011 0.000 0.221 176 A C 2.327 179.750 177.584 -0.268 0.000 1.223 176 A CA 2.556 54.503 52.037 -0.150 0.000 0.658 176 A CB -1.056 17.885 19.000 -0.098 0.000 0.831 176 A HN 2.402 nan 8.150 nan 0.000 0.462 177 G N -2.303 106.193 108.800 -0.507 0.000 2.565 177 G HA2 -0.336 3.617 3.960 -0.011 0.000 0.295 177 G HA3 -0.336 3.617 3.960 -0.011 0.000 0.295 177 G C 0.918 175.653 174.900 -0.276 0.000 1.165 177 G CA 1.703 46.362 45.100 -0.735 0.000 0.977 177 G HN 1.720 nan 8.290 nan 0.000 0.546 178 T N -1.384 113.080 114.554 -0.150 0.000 3.244 178 T HA 0.622 4.966 4.350 -0.011 0.000 0.254 178 T C 1.365 176.037 174.700 -0.047 0.000 1.024 178 T CA 1.518 63.589 62.100 -0.049 0.000 0.920 178 T CB 0.138 69.012 68.868 0.010 0.000 1.042 178 T HN 2.585 nan 8.240 nan 0.000 0.572 179 A N 0.115 122.895 122.820 -0.067 0.000 2.872 179 A HA -0.111 4.203 4.320 -0.011 0.000 0.273 179 A C 1.811 179.354 177.584 -0.067 0.000 1.442 179 A CA 0.971 52.977 52.037 -0.051 0.000 0.801 179 A CB -2.360 16.606 19.000 -0.057 0.000 1.031 179 A HN 0.939 nan 8.150 nan 0.000 0.582 180 G N -1.141 107.621 108.800 -0.062 0.000 2.446 180 G HA2 -0.039 3.915 3.960 -0.011 0.000 0.217 180 G HA3 -0.039 3.915 3.960 -0.011 0.000 0.217 180 G C 1.100 175.876 174.900 -0.207 0.000 1.168 180 G CA 1.599 46.606 45.100 -0.154 0.000 0.771 180 G HN 0.660 nan 8.290 nan 0.000 0.551 181 F N 0.523 120.410 119.950 -0.104 0.000 2.206 181 F HA 0.148 4.668 4.527 -0.012 0.000 0.298 181 F C 2.620 178.365 175.800 -0.092 0.000 1.090 181 F CA 0.615 58.565 58.000 -0.083 0.000 1.323 181 F CB -0.218 38.746 39.000 -0.060 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 0.069 0.000 2.027 182 L HA -0.213 4.120 4.340 -0.011 0.000 0.206 182 L C 2.307 178.989 176.870 -0.314 0.000 1.074 182 L CA 0.833 55.634 54.840 -0.066 0.000 0.745 182 L CB -0.636 41.400 42.059 -0.039 0.000 0.898 182 L HN 0.057 nan 8.230 nan 0.000 0.433 183 I N 0.248 120.643 120.570 -0.292 0.000 2.163 183 I HA -0.280 3.884 4.170 -0.011 0.000 0.243 183 I C 2.597 178.517 176.117 -0.328 0.000 1.085 183 I CA 1.404 62.455 61.300 -0.414 0.000 1.347 183 I CB -0.425 37.273 38.000 -0.503 0.000 1.044 183 I HN 0.229 nan 8.210 nan 0.000 0.408 184 E N 0.658 120.723 120.200 -0.224 0.000 2.106 184 E HA -0.143 4.201 4.350 -0.011 0.000 0.192 184 E C 2.199 178.775 176.600 -0.039 0.000 0.984 184 E CA 1.465 57.787 56.400 -0.130 0.000 0.806 184 E CB -0.286 29.327 29.700 -0.145 0.000 0.750 184 E HN 0.421 nan 8.360 nan 0.000 0.458 185 A N 0.429 123.226 122.820 -0.038 0.000 1.930 185 A HA -0.175 4.139 4.320 -0.011 0.000 0.217 185 A C 2.085 179.722 177.584 0.087 0.000 1.175 185 A CA 1.837 53.933 52.037 0.098 0.000 0.627 185 A CB -0.786 18.348 19.000 0.224 0.000 0.815 185 A HN 0.397 nan 8.150 nan 0.000 0.443 186 D N -0.753 119.463 120.400 -0.308 0.000 2.117 186 D HA -0.162 4.471 4.640 -0.011 0.000 0.198 186 D C 2.114 178.391 176.300 -0.038 0.000 0.982 186 D CA 1.269 55.072 54.000 -0.328 0.000 0.828 186 D CB -0.186 40.165 40.800 -0.748 0.000 0.967 186 D HN 0.390 nan 8.370 nan 0.000 0.464 187 R N -1.176 119.292 120.500 -0.053 0.000 2.081 187 R HA -0.208 4.125 4.340 -0.011 0.000 0.235 187 R C 2.209 178.549 176.300 0.067 0.000 1.131 187 R CA 1.288 57.392 56.100 0.007 0.000 0.960 187 R CB -0.546 29.747 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 2.068 178.009 175.900 0.068 0.000 1.145 188 Y CA 1.729 59.857 58.100 0.046 0.000 1.148 188 Y CB -0.248 38.252 38.460 0.066 0.000 0.981 188 Y HN -0.162 nan 8.280 nan 0.000 0.507 189 V N 0.651 120.720 119.914 0.259 0.000 2.343 189 V HA -0.323 3.791 4.120 -0.011 0.000 0.247 189 V C 2.200 178.331 176.094 0.061 0.000 1.051 189 V CA 2.345 64.760 62.300 0.191 0.000 1.036 189 V CB -0.581 31.429 31.823 0.311 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 0.057 0.000 2.148 190 K HA -0.122 4.192 4.320 -0.011 0.000 0.204 190 K C 2.203 178.784 176.600 -0.031 0.000 1.050 190 K CA 1.550 57.852 56.287 0.024 0.000 0.942 190 K CB -0.290 32.229 32.500 0.032 0.000 0.724 190 K HN 0.629 nan 8.250 nan 0.000 0.446 191 S N 0.429 116.077 115.700 -0.086 0.000 2.603 191 S HA -0.047 4.416 4.470 -0.011 0.000 0.229 191 S C 1.308 175.809 174.600 -0.164 0.000 0.972 191 S CA 0.577 58.701 58.200 -0.127 0.000 0.935 191 S CB 0.126 63.226 63.200 -0.166 0.000 0.769 191 S HN 0.177 nan 8.310 nan 0.000 0.536 192 Q N 0.874 120.575 119.800 -0.166 0.000 2.189 192 Q HA 0.174 4.507 4.340 -0.011 0.000 0.223 192 Q C 0.607 176.572 176.000 -0.058 0.000 0.828 192 Q CA 0.763 56.482 55.803 -0.140 0.000 0.967 192 Q CB 1.021 29.645 28.738 -0.190 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 -0.034 0.000 3.541 193 T HA 0.194 4.538 4.350 -0.011 0.000 0.309 193 T C -0.122 174.578 174.700 -0.001 0.000 0.973 193 T CA -0.494 61.603 62.100 -0.005 0.000 0.993 193 T CB -0.324 68.558 68.868 0.022 0.000 1.206 193 T HN 0.096 nan 8.240 nan 0.000 0.489 194 N N 3.387 122.079 118.700 -0.013 0.000 2.714 194 N HA -0.144 4.589 4.740 -0.011 0.000 0.253 194 N C -0.732 174.781 175.510 0.004 0.000 1.024 194 N CA 1.051 54.097 53.050 -0.007 0.000 0.726 194 N CB -1.344 37.141 38.487 -0.005 0.000 0.908 194 N HN 0.605 nan 8.380 nan 0.000 0.542 195 D N -0.454 119.950 120.400 0.007 0.000 2.708 195 D HA -0.238 4.396 4.640 -0.011 0.000 0.236 195 D C 0.669 176.989 176.300 0.033 0.000 1.146 195 D CA 1.295 55.307 54.000 0.020 0.000 0.662 195 D CB -0.812 39.997 40.800 0.014 0.000 1.059 195 D HN 0.679 nan 8.370 nan 0.000 0.428 196 L N -2.192 119.055 121.223 0.040 0.000 5.060 196 L HA -0.281 4.053 4.340 -0.011 0.000 0.408 196 L C 1.226 178.120 176.870 0.041 0.000 0.917 196 L CA 1.385 56.257 54.840 0.053 0.000 1.627 196 L CB -1.300 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 0.779 121.195 120.400 0.028 0.000 2.310 197 D HA -0.080 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 1.284 55.296 54.000 0.021 0.000 0.879 197 D CB 0.021 40.828 40.800 0.013 0.000 0.921 197 D HN 0.519 nan 8.370 nan 0.000 0.510 198 D N -0.171 120.239 120.400 0.018 0.000 2.349 198 D HA 0.084 4.717 4.640 -0.011 0.000 0.215 198 D C 0.575 176.886 176.300 0.017 0.000 1.016 198 D CA 0.179 54.186 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 0.225 nan 8.370 nan 0.000 0.524 199 L N 1.358 122.597 121.223 0.027 0.000 2.334 199 L HA 0.313 4.647 4.340 -0.011 0.000 0.272 199 L C 0.378 177.268 176.870 0.033 0.000 1.020 199 L CA -1.273 53.586 54.840 0.031 0.000 0.812 199 L CB 1.342 43.429 42.059 0.047 0.000 1.264 199 L HN -0.109 nan 8.230 nan 0.000 0.439 200 D N 1.139 121.556 120.400 0.029 0.000 2.372 200 D HA -0.005 4.628 4.640 -0.011 0.000 0.243 200 D C 1.144 177.472 176.300 0.046 0.000 1.121 200 D CA -0.048 53.971 54.000 0.030 0.000 0.898 200 D CB 1.441 42.253 40.800 0.021 0.000 1.202 200 D HN 0.697 nan 8.370 nan 0.000 0.428 201 G N 1.622 110.450 108.800 0.046 0.000 2.597 201 G HA2 -0.417 3.536 3.960 -0.011 0.000 0.222 201 G HA3 -0.417 3.536 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 1.457 46.592 45.100 0.059 0.000 0.759 201 G HN 0.691 nan 8.290 nan 0.000 0.595 202 D N -0.462 119.979 120.400 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 1.656 55.708 54.000 0.087 0.000 0.833 202 D CB -0.301 40.534 40.800 0.057 0.000 0.961 202 D HN 0.255 nan 8.370 nan 0.000 0.470 203 T N -0.177 114.437 114.554 0.099 0.000 2.904 203 T HA -0.101 4.243 4.350 -0.011 0.000 0.267 203 T C 1.833 176.645 174.700 0.188 0.000 1.059 203 T CA 0.887 63.063 62.100 0.126 0.000 1.137 203 T CB -0.144 68.760 68.868 0.059 0.000 0.879 203 T HN 0.302 nan 8.240 nan 0.000 0.467 204 Q N 0.771 120.656 119.800 0.141 0.000 2.119 204 Q HA -0.131 4.203 4.340 -0.011 0.000 0.201 204 Q C 1.910 178.007 176.000 0.162 0.000 0.972 204 Q CA 1.468 57.352 55.803 0.135 0.000 0.847 204 Q CB -0.219 28.578 28.738 0.099 0.000 0.903 204 Q HN 0.487 nan 8.270 nan 0.000 0.433 205 D N 0.083 120.597 120.400 0.190 0.000 2.144 205 D HA -0.135 4.499 4.640 -0.011 0.000 0.200 205 D C 1.337 177.803 176.300 0.277 0.000 0.978 205 D CA 0.705 54.860 54.000 0.259 0.000 0.833 205 D CB -0.099 40.837 40.800 0.225 0.000 0.961 205 D HN 0.114 nan 8.370 nan 0.000 0.470 206 F N 1.266 121.286 119.950 0.118 0.000 2.102 206 F HA -0.183 4.338 4.527 -0.010 0.000 0.298 206 F C 2.170 178.005 175.800 0.058 0.000 1.105 206 F CA 1.202 59.253 58.000 0.084 0.000 1.239 206 F CB -0.056 38.968 39.000 0.041 0.000 0.991 206 F HN -0.152 nan 8.300 nan 0.000 0.474 207 Q N 0.290 120.182 119.800 0.153 0.000 2.226 207 Q HA -0.134 4.200 4.340 -0.011 0.000 0.204 207 Q C 2.452 178.500 176.000 0.080 0.000 0.975 207 Q CA 1.622 57.481 55.803 0.093 0.000 0.866 207 Q CB -0.360 28.504 28.738 0.210 0.000 0.915 207 Q HN 0.539 nan 8.270 nan 0.000 0.440 208 I N -0.616 119.961 120.570 0.011 0.000 2.480 208 I HA -0.169 3.995 4.170 -0.011 0.000 0.251 208 I C 1.757 177.680 176.117 -0.323 0.000 1.124 208 I CA 0.849 62.065 61.300 -0.140 0.000 1.444 208 I CB -0.049 37.809 38.000 -0.237 0.000 1.098 208 I HN 0.225 nan 8.210 nan 0.000 0.428 209 H N -0.304 118.739 119.070 -0.046 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 -0.189 0.000 0.972 209 H CA 0.245 56.248 56.048 -0.075 0.000 1.213 209 H CB 0.910 30.646 29.762 -0.043 0.000 1.451 209 H HN 0.238 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 1.954 177.776 176.300 -0.796 0.000 0.921 210 R CA 0.568 56.314 56.100 -0.590 0.000 1.054 210 R CB 0.680 30.494 30.300 -0.809 0.000 1.340 210 R HN 0.023 nan 8.270 nan 0.000 0.551 211 A N 1.178 123.462 122.820 -0.894 0.000 1.933 211 A HA 0.002 4.316 4.320 -0.011 0.000 0.218 211 A C 0.323 177.332 177.584 -0.958 0.000 1.175 211 A CA 1.084 52.581 52.037 -0.900 0.000 0.628 211 A CB -0.083 18.314 19.000 -1.005 0.000 0.814 211 A HN 0.109 nan 8.150 nan 0.000 0.444 212 F N -0.946 118.954 119.950 -0.084 0.000 2.507 212 F HA 0.711 5.231 4.527 -0.011 0.000 0.325 212 F C -0.254 175.517 175.800 -0.049 0.000 1.116 212 F CA -0.901 57.078 58.000 -0.036 0.000 0.930 212 F CB 1.493 40.481 39.000 -0.021 0.000 1.146 212 F HN -0.120 nan 8.300 nan 0.000 0.447 213 I N 1.602 122.239 120.570 0.113 0.000 2.686 213 I HA 0.750 4.914 4.170 -0.011 0.000 0.295 213 I C -0.133 176.008 176.117 0.041 0.000 1.114 213 I CA -0.725 60.599 61.300 0.040 0.000 1.038 213 I CB 2.410 40.399 38.000 -0.019 0.000 1.238 213 I HN 0.758 nan 8.210 nan 0.000 0.420 214 G N 4.288 113.095 108.800 0.011 0.000 2.680 214 G HA2 0.792 4.745 3.960 -0.011 0.000 0.290 214 G HA3 0.792 4.745 3.960 -0.011 0.000 0.290 214 G C -2.179 172.707 174.900 -0.024 0.000 1.355 214 G CA -0.528 44.570 45.100 -0.002 0.000 0.903 214 G HN 0.358 nan 8.290 nan 0.000 0.474 215 L N 0.072 121.277 121.223 -0.029 0.000 2.516 215 L HA 0.768 5.101 4.340 -0.011 0.000 0.267 215 L C -1.283 175.571 176.870 -0.027 0.000 0.957 215 L CA -0.696 54.126 54.840 -0.030 0.000 0.860 215 L CB 2.241 44.274 42.059 -0.043 0.000 1.265 215 L HN 0.606 nan 8.230 nan 0.000 0.403 216 E N 3.151 123.341 120.200 -0.017 0.000 2.234 216 E HA 0.358 4.702 4.350 -0.011 0.000 0.266 216 E C -0.327 176.294 176.600 0.034 0.000 0.877 216 E CA -0.542 55.850 56.400 -0.014 0.000 0.758 216 E CB 1.840 31.513 29.700 -0.044 0.000 1.170 216 E HN 0.601 nan 8.360 nan 0.000 0.415 217 L N 4.230 125.497 121.223 0.073 0.000 2.068 217 L HA 0.243 4.577 4.340 -0.011 0.000 0.204 217 L C 0.033 176.950 176.870 0.079 0.000 1.076 217 L CA 1.014 55.903 54.840 0.082 0.000 0.753 217 L CB 0.288 42.413 42.059 0.110 0.000 0.910 217 L HN 0.464 nan 8.230 nan 0.000 0.439 218 V N 3.142 123.118 119.914 0.103 0.000 2.397 218 V HA 0.109 4.222 4.120 -0.011 0.000 0.262 218 V C -1.069 175.067 176.094 0.069 0.000 1.047 218 V CA -0.723 61.631 62.300 0.089 0.000 1.003 218 V CB 0.191 32.087 31.823 0.122 0.000 1.037 218 V HN 0.308 nan 8.190 nan 0.000 0.480 219 P HA -0.180 nan 4.420 nan 0.000 0.216 219 P C 1.597 178.920 177.300 0.039 0.000 1.150 219 P CA 1.873 65.000 63.100 0.045 0.000 0.843 219 P CB 0.306 32.011 31.700 0.007 0.000 0.787 220 G N -0.374 108.449 108.800 0.039 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 1.582 176.518 174.900 0.058 0.000 1.171 220 G CA 1.518 46.644 45.100 0.045 0.000 0.775 220 G HN 0.212 nan 8.290 nan 0.000 0.543 221 T N 0.216 114.813 114.554 0.072 0.000 2.777 221 T HA -0.055 4.288 4.350 -0.011 0.000 0.266 221 T C 2.306 177.028 174.700 0.037 0.000 1.040 221 T CA 1.027 63.171 62.100 0.073 0.000 1.141 221 T CB -0.132 68.802 68.868 0.110 0.000 0.868 221 T HN 0.225 nan 8.240 nan 0.000 0.444 222 R N 1.185 121.703 120.500 0.030 0.000 2.127 222 R HA -0.103 4.231 4.340 -0.011 0.000 0.238 222 R C 2.383 178.691 176.300 0.014 0.000 1.134 222 R CA 1.295 57.405 56.100 0.016 0.000 0.975 222 R CB -0.109 30.212 30.300 0.036 0.000 0.865 222 R HN 0.392 nan 8.270 nan 0.000 0.447 223 R N -0.011 120.500 120.500 0.018 0.000 2.070 223 R HA -0.128 4.205 4.340 -0.011 0.000 0.233 223 R C 2.407 178.695 176.300 -0.020 0.000 1.137 223 R CA 1.456 57.546 56.100 -0.017 0.000 0.945 223 R CB -0.511 29.774 30.300 -0.025 0.000 0.845 223 R HN 0.104 nan 8.270 nan 0.000 0.430 224 L N 0.776 122.020 121.223 0.036 0.000 2.043 224 L HA -0.199 4.135 4.340 -0.011 0.000 0.212 224 L C 2.554 179.465 176.870 0.069 0.000 1.075 224 L CA 2.067 56.966 54.840 0.098 0.000 0.752 224 L CB -0.897 41.254 42.059 0.153 0.000 0.891 224 L HN 0.237 nan 8.230 nan 0.000 0.432 225 A N -0.919 121.920 122.820 0.032 0.000 1.933 225 A HA -0.153 4.160 4.320 -0.011 0.000 0.218 225 A C 2.348 179.932 177.584 -0.001 0.000 1.175 225 A CA 1.517 53.559 52.037 0.009 0.000 0.628 225 A CB -0.727 18.260 19.000 -0.022 0.000 0.814 225 A HN 0.384 nan 8.150 nan 0.000 0.444 226 L N -1.319 119.893 121.223 -0.018 0.000 2.056 226 L HA -0.187 4.147 4.340 -0.011 0.000 0.207 226 L C 2.820 179.659 176.870 -0.052 0.000 1.078 226 L CA 1.492 56.310 54.840 -0.037 0.000 0.749 226 L CB -0.419 41.606 42.059 -0.057 0.000 0.901 226 L HN 0.445 nan 8.230 nan 0.000 0.433 227 M N -0.883 118.673 119.600 -0.072 0.000 2.229 227 M HA -0.181 4.292 4.480 -0.011 0.000 0.264 227 M C 1.952 178.249 176.300 -0.005 0.000 1.063 227 M CA 1.307 56.548 55.300 -0.099 0.000 1.114 227 M CB -0.452 32.048 32.600 -0.167 0.000 1.387 227 M HN 0.222 nan 8.290 nan 0.000 0.420 228 N N 0.501 119.236 118.700 0.058 0.000 2.084 228 N HA -0.126 4.607 4.740 -0.011 0.000 0.190 228 N C 1.546 177.168 175.510 0.187 0.000 1.030 228 N CA 1.582 54.721 53.050 0.148 0.000 0.849 228 N CB -0.307 38.247 38.487 0.111 0.000 1.012 228 N HN 0.341 nan 8.380 nan 0.000 0.423 229 C N 0.481 119.825 119.300 0.074 0.000 2.446 229 C HA 0.023 4.476 4.460 -0.011 0.000 0.277 229 C C 2.688 177.717 174.990 0.064 0.000 1.275 229 C CA 0.044 59.093 59.018 0.052 0.000 1.727 229 C CB -1.269 26.472 27.740 0.001 0.000 2.010 229 C HN 0.500 nan 8.230 nan 0.000 0.486 230 L N 0.819 122.058 121.223 0.026 0.000 2.013 230 L HA -0.131 4.203 4.340 -0.011 0.000 0.212 230 L C 2.020 178.892 176.870 0.004 0.000 1.073 230 L CA 2.192 57.035 54.840 0.005 0.000 0.753 230 L CB -1.006 41.036 42.059 -0.028 0.000 0.890 230 L HN 0.260 nan 8.230 nan 0.000 0.432 231 L N -0.751 120.468 121.223 -0.008 0.000 2.610 231 L HA -0.060 4.274 4.340 -0.011 0.000 0.232 231 L C 1.925 178.683 176.870 -0.186 0.000 1.149 231 L CA 0.796 55.588 54.840 -0.080 0.000 0.872 231 L CB -0.842 41.157 42.059 -0.099 0.000 0.992 231 L HN 0.301 nan 8.230 nan 0.000 0.447 232 H N -0.711 118.344 119.070 -0.024 0.000 2.672 232 H HA 0.130 4.679 4.556 -0.011 0.000 0.277 232 H C -0.134 175.168 175.328 -0.043 0.000 1.074 232 H CA 0.036 56.061 56.048 -0.038 0.000 1.173 232 H CB 0.573 30.298 29.762 -0.061 0.000 1.558 232 H HN 0.213 nan 8.280 nan 0.000 0.539 233 D N 0.569 120.994 120.400 0.041 0.000 2.907 233 D HA -0.175 4.459 4.640 -0.011 0.000 0.226 233 D C 0.017 176.316 176.300 -0.003 0.000 1.141 233 D CA 0.507 54.514 54.000 0.012 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 1.045 121.616 120.570 0.002 0.000 2.347 234 I HA 0.085 4.248 4.170 -0.011 0.000 0.283 234 I C 1.560 177.659 176.117 -0.030 0.000 1.058 234 I CA -0.362 60.931 61.300 -0.013 0.000 1.202 234 I CB 0.882 38.871 38.000 -0.019 0.000 1.386 234 I HN -0.123 nan 8.210 nan 0.000 0.475 235 E N 4.120 124.258 120.200 -0.102 0.000 2.170 235 E HA 0.124 4.467 4.350 -0.011 0.000 0.191 235 E C 1.444 178.046 176.600 0.002 0.000 0.981 235 E CA 0.441 56.797 56.400 -0.074 0.000 0.830 235 E CB 0.201 29.814 29.700 -0.146 0.000 0.775 235 E HN 0.874 nan 8.360 nan 0.000 0.470 236 G N 2.256 111.049 108.800 -0.011 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 -0.278 174.719 174.900 0.161 0.000 1.264 236 G CA 0.080 45.219 45.100 0.066 0.000 0.935 236 G HN 0.393 nan 8.290 nan 0.000 0.568 237 N N 0.097 118.872 118.700 0.125 0.000 2.437 237 N HA 0.433 5.167 4.740 -0.011 0.000 0.259 237 N C 1.715 177.302 175.510 0.128 0.000 0.983 237 N CA -0.643 52.495 53.050 0.146 0.000 0.937 237 N CB 0.574 39.169 38.487 0.181 0.000 1.122 237 N HN 0.469 nan 8.380 nan 0.000 0.499 238 L N 2.872 124.149 121.223 0.090 0.000 2.187 238 L HA -0.163 4.170 4.340 -0.011 0.000 0.213 238 L C 1.310 178.173 176.870 -0.011 0.000 1.100 238 L CA 1.096 55.962 54.840 0.042 0.000 0.765 238 L CB -0.185 41.892 42.059 0.031 0.000 0.904 238 L HN 0.629 nan 8.230 nan 0.000 0.437 239 D N -1.342 119.037 120.400 -0.036 0.000 2.218 239 D HA -0.141 4.493 4.640 -0.011 0.000 0.204 239 D C 1.624 177.712 176.300 -0.354 0.000 0.976 239 D CA 1.081 54.962 54.000 -0.199 0.000 0.853 239 D CB 0.071 40.711 40.800 -0.266 0.000 0.939 239 D HN 0.392 nan 8.370 nan 0.000 0.481 240 H N -2.063 116.985 119.070 -0.036 0.000 2.592 240 H HA 0.353 4.903 4.556 -0.011 0.000 0.279 240 H C 1.457 176.738 175.328 -0.078 0.000 1.089 240 H CA 0.611 56.627 56.048 -0.053 0.000 1.150 240 H CB 1.258 31.001 29.762 -0.033 0.000 1.575 240 H HN 0.177 nan 8.280 nan 0.000 0.547 241 G N 0.477 109.279 108.800 0.004 0.000 2.234 241 G HA2 -0.189 3.764 3.960 -0.011 0.000 0.235 241 G HA3 -0.189 3.764 3.960 -0.011 0.000 0.235 241 G C 0.673 175.575 174.900 0.003 0.000 0.997 241 G CA 0.043 45.122 45.100 -0.036 0.000 0.623 241 G HN 0.927 nan 8.290 nan 0.000 0.514 242 G N -1.680 107.146 108.800 0.044 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 0.821 175.747 174.900 0.042 0.000 1.329 242 G CA 1.228 46.352 45.100 0.041 0.000 0.949 242 G HN 1.675 nan 8.290 nan 0.000 0.476 243 A N -0.793 122.045 122.820 0.029 0.000 1.933 243 A HA 0.349 4.663 4.320 -0.011 0.000 0.218 243 A C 1.160 178.753 177.584 0.014 0.000 1.175 243 A CA 1.768 53.824 52.037 0.031 0.000 0.628 243 A CB -0.401 18.626 19.000 0.044 0.000 0.814 243 A HN 0.861 nan 8.150 nan 0.000 0.444 244 I N 0.794 121.366 120.570 0.005 0.000 2.304 244 I HA 0.252 4.416 4.170 -0.011 0.000 0.291 244 I C 0.430 176.544 176.117 -0.004 0.000 1.018 244 I CA -0.118 61.178 61.300 -0.007 0.000 1.260 244 I CB 1.256 39.248 38.000 -0.014 0.000 1.390 244 I HN 0.171 nan 8.210 nan 0.000 0.475 245 R N 5.374 125.864 120.500 -0.017 0.000 2.500 245 R HA 0.513 4.847 4.340 -0.011 0.000 0.275 245 R C -0.738 175.567 176.300 0.009 0.000 1.051 245 R CA -0.985 55.112 56.100 -0.005 0.000 1.088 245 R CB 1.240 31.504 30.300 -0.060 0.000 1.063 245 R HN 0.427 nan 8.270 nan 0.000 0.511 246 L N 2.088 123.331 121.223 0.033 0.000 2.264 246 L HA 0.574 4.907 4.340 -0.011 0.000 0.289 246 L C -0.140 176.759 176.870 0.048 0.000 1.044 246 L CA 0.643 55.516 54.840 0.054 0.000 0.807 246 L CB 0.661 42.783 42.059 0.106 0.000 1.192 246 L HN 0.917 nan 8.230 nan 0.000 0.425 247 G N 4.021 112.842 108.800 0.035 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 -1.817 173.089 174.900 0.010 0.000 1.297 247 G CA -0.860 44.254 45.100 0.023 0.000 0.853 247 G HN 0.594 nan 8.290 nan 0.000 0.535 248 N N -0.353 118.344 118.700 -0.006 0.000 2.426 248 N HA 0.464 5.198 4.740 -0.011 0.000 0.257 248 N C 1.343 176.799 175.510 -0.091 0.000 1.002 248 N CA 0.322 53.357 53.050 -0.025 0.000 0.942 248 N CB 1.471 39.950 38.487 -0.014 0.000 1.112 248 N HN 0.355 nan 8.380 nan 0.000 0.499 249 T N 3.228 117.686 114.554 -0.160 0.000 2.881 249 T HA -0.051 4.293 4.350 -0.011 0.000 0.270 249 T C 1.290 175.784 174.700 -0.343 0.000 1.068 249 T CA 1.026 62.913 62.100 -0.355 0.000 1.131 249 T CB -0.072 68.465 68.868 -0.551 0.000 0.871 249 T HN 0.502 nan 8.240 nan 0.000 0.479 250 L N 0.477 121.545 121.223 -0.260 0.000 2.629 250 L HA 0.349 4.683 4.340 -0.011 0.000 0.230 250 L C 1.384 178.240 176.870 -0.023 0.000 1.151 250 L CA -0.501 54.289 54.840 -0.083 0.000 0.924 250 L CB -0.257 41.744 42.059 -0.097 0.000 1.137 250 L HN 0.209 nan 8.230 nan 0.000 0.457 251 G N -1.117 107.646 108.800 -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 0.621 175.480 174.900 -0.068 0.000 1.279 251 G CA 0.051 45.118 45.100 -0.054 0.000 0.987 251 G HN -0.053 nan 8.290 nan 0.000 0.589 252 S N 0.537 116.206 115.700 -0.052 0.000 2.382 252 S HA -0.090 4.373 4.470 -0.011 0.000 0.228 252 S C 1.787 176.365 174.600 -0.036 0.000 1.027 252 S CA 1.562 59.733 58.200 -0.048 0.000 0.991 252 S CB -0.247 62.935 63.200 -0.031 0.000 0.823 252 S HN 0.564 nan 8.310 nan 0.000 0.469 253 D N 1.559 121.941 120.400 -0.029 0.000 2.182 253 D HA -0.070 4.564 4.640 -0.011 0.000 0.201 253 D C 2.143 178.422 176.300 -0.035 0.000 0.986 253 D CA 1.237 55.223 54.000 -0.023 0.000 0.847 253 D CB -0.708 40.080 40.800 -0.020 0.000 0.942 253 D HN 0.495 nan 8.370 nan 0.000 0.467 254 G N 1.707 110.473 108.800 -0.057 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 1.425 176.372 174.900 0.078 0.000 1.171 254 G CA 0.946 46.013 45.100 -0.055 0.000 0.775 254 G HN 0.459 nan 8.290 nan 0.000 0.543 255 E N 0.098 120.308 120.200 0.015 0.000 2.427 255 E HA 0.024 4.368 4.350 -0.011 0.000 0.196 255 E C 1.562 178.158 176.600 -0.007 0.000 1.028 255 E CA 0.574 56.974 56.400 0.000 0.000 0.864 255 E CB -0.320 29.337 29.700 -0.072 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 -0.006 0.000 2.398 256 N HA 0.053 4.786 4.740 -0.011 0.000 0.188 256 N C -0.409 175.092 175.510 -0.015 0.000 1.122 256 N CA -0.415 52.631 53.050 -0.007 0.000 0.866 256 N CB 0.245 38.734 38.487 0.004 0.000 0.970 256 N HN 0.054 nan 8.380 nan 0.000 0.462 257 L N 2.384 123.606 121.223 -0.002 0.000 2.397 257 L HA 0.265 4.598 4.340 -0.011 0.000 0.271 257 L C -1.909 174.944 176.870 -0.028 0.000 1.148 257 L CA -2.041 52.790 54.840 -0.015 0.000 0.825 257 L CB 0.150 42.243 42.059 0.056 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 -0.583 62.482 63.100 -0.058 0.000 0.786 258 P CB 0.600 32.277 31.700 -0.038 0.000 0.927 259 K N 0.898 121.184 120.400 -0.191 0.000 2.339 259 K HA 0.399 4.713 4.320 -0.011 0.000 0.260 259 K C 0.403 176.717 176.600 -0.477 0.000 0.989 259 K CA 0.224 56.249 56.287 -0.437 0.000 0.888 259 K CB -0.152 31.874 32.500 -0.789 0.000 0.983 259 K HN 0.699 nan 8.250 nan 0.000 0.515 260 A N 0.329 122.795 122.820 -0.590 0.000 2.572 260 A HA 0.441 4.755 4.320 -0.011 0.000 0.295 260 A C 0.109 177.570 177.584 -0.205 0.000 1.072 260 A CA -0.672 51.178 52.037 -0.313 0.000 0.691 260 A CB 0.850 19.778 19.000 -0.121 0.000 1.291 260 A HN 0.749 nan 8.150 nan 0.000 0.404 261 H N 0.522 119.705 119.070 0.188 0.000 2.465 261 H HA 0.293 4.843 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 1.319 57.487 56.048 0.199 0.000 1.340 261 H CB 0.354 30.219 29.762 0.173 0.000 1.437 261 H HN 0.483 nan 8.280 nan 0.000 0.539 262 I N 0.714 121.382 120.570 0.162 0.000 2.730 262 I HA 0.286 4.449 4.170 -0.011 0.000 0.298 262 I C -0.948 175.184 176.117 0.026 0.000 1.089 262 I CA -0.814 60.534 61.300 0.080 0.000 1.041 262 I CB 3.477 41.531 38.000 0.090 0.000 1.235 262 I HN -0.307 nan 8.210 nan 0.000 0.423 263 V N 4.091 123.984 119.914 -0.034 0.000 2.524 263 V HA 0.704 4.817 4.120 -0.011 0.000 0.297 263 V C -0.494 175.510 176.094 -0.150 0.000 1.035 263 V CA -0.462 61.798 62.300 -0.067 0.000 0.867 263 V CB 1.706 33.493 31.823 -0.059 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 5.224 4.320 -0.011 0.000 0.300 264 A C -0.402 176.725 177.584 -0.762 0.000 1.153 264 A CA -0.484 51.312 52.037 -0.402 0.000 0.764 264 A CB 1.827 20.724 19.000 -0.172 0.000 1.174 264 A HN 0.763 nan 8.150 nan 0.000 0.467 265 T N 0.892 114.931 114.554 -0.857 0.000 2.853 265 T HA 0.503 4.847 4.350 -0.011 0.000 0.311 265 T C -1.801 172.531 174.700 -0.614 0.000 1.307 265 T CA -0.520 61.120 62.100 -0.767 0.000 1.019 265 T CB 1.430 70.097 68.868 -0.335 0.000 1.264 265 T HN 0.607 nan 8.240 nan 0.000 0.497 266 N N 3.293 121.752 118.700 -0.401 0.000 2.790 266 N HA 0.400 5.134 4.740 -0.011 0.000 0.256 266 N C -2.634 172.664 175.510 -0.354 0.000 1.409 266 N CA -1.715 51.200 53.050 -0.224 0.000 0.799 266 N CB 1.149 39.682 38.487 0.076 0.000 1.170 266 N HN 0.396 nan 8.380 nan 0.000 0.507 267 P HA 0.229 nan 4.420 nan 0.000 0.271 267 P C -2.658 174.154 177.300 -0.815 0.000 1.233 267 P CA -0.816 61.818 63.100 -0.777 0.000 0.789 267 P CB -0.217 30.811 31.700 -1.121 0.000 0.951 268 P HA 0.103 nan 4.420 nan 0.000 0.267 268 P C -0.544 176.406 177.300 -0.585 0.000 1.200 268 P CA 0.608 63.352 63.100 -0.593 0.000 0.772 268 P CB 0.088 31.595 31.700 -0.321 0.000 0.855 269 F N 0.968 120.815 119.950 -0.173 0.000 2.408 269 F HA 0.633 5.153 4.527 -0.012 0.000 0.325 269 F C 1.555 177.287 175.800 -0.113 0.000 1.082 269 F CA 0.374 58.281 58.000 -0.155 0.000 1.032 269 F CB 0.172 39.067 39.000 -0.175 0.000 1.259 269 F HN 0.635 nan 8.300 nan 0.000 0.503 270 G N 0.500 109.367 108.800 0.111 0.000 2.593 270 G HA2 -0.266 3.688 3.960 -0.011 0.000 0.237 270 G HA3 -0.266 3.688 3.960 -0.011 0.000 0.237 270 G C 0.559 175.469 174.900 0.015 0.000 1.312 270 G CA -0.089 45.035 45.100 0.041 0.000 0.896 270 G HN 0.863 nan 8.290 nan 0.000 0.574 271 S N 0.575 116.281 115.700 0.010 0.000 2.603 271 S HA 0.480 4.944 4.470 -0.011 0.000 0.220 271 S C 1.314 175.922 174.600 0.015 0.000 0.967 271 S CA 1.689 59.895 58.200 0.010 0.000 0.920 271 S CB -1.474 61.730 63.200 0.008 0.000 0.773 271 S HN 2.597 nan 8.310 nan 0.000 0.529 272 A N 0.054 122.876 122.820 0.003 0.000 6.848 272 A HA 0.166 4.479 4.320 -0.011 0.000 0.247 272 A C 0.652 178.238 177.584 0.003 0.000 2.199 272 A CA 0.119 52.154 52.037 -0.003 0.000 0.681 272 A CB -1.829 17.194 19.000 0.038 0.000 1.069 272 A HN 1.370 nan 8.150 nan 0.000 0.381 273 A N -0.249 122.573 122.820 0.003 0.000 2.599 273 A HA 0.659 4.973 4.320 -0.011 0.000 0.257 273 A C 1.502 179.101 177.584 0.026 0.000 1.641 273 A CA 0.581 52.624 52.037 0.009 0.000 0.842 273 A CB -0.699 18.306 19.000 0.008 0.000 1.599 273 A HN 2.689 nan 8.150 nan 0.000 0.585 274 G N 0.566 109.382 108.800 0.026 0.000 2.789 274 G HA2 0.418 4.372 3.960 -0.011 0.000 0.281 274 G HA3 0.418 4.372 3.960 -0.011 0.000 0.281 274 G C -0.048 174.874 174.900 0.035 0.000 0.708 274 G CA 0.623 45.739 45.100 0.027 0.000 2.067 274 G HN 0.858 nan 8.290 nan 0.000 0.554 275 T N 0.142 114.720 114.554 0.040 0.000 3.064 275 T HA 0.280 4.624 4.350 -0.011 0.000 0.367 275 T C -0.048 174.672 174.700 0.034 0.000 1.202 275 T CA -1.210 60.917 62.100 0.044 0.000 1.133 275 T CB 0.641 69.554 68.868 0.075 0.000 1.074 275 T HN 0.478 nan 8.240 nan 0.000 0.519 276 N N 3.274 121.989 118.700 0.024 0.000 2.497 276 N HA 0.156 4.890 4.740 -0.011 0.000 0.271 276 N C -0.091 175.433 175.510 0.023 0.000 1.142 276 N CA -0.679 52.384 53.050 0.021 0.000 0.965 276 N CB 1.267 39.763 38.487 0.015 0.000 1.077 276 N HN 0.601 nan 8.380 nan 0.000 0.462 277 I N 1.469 122.060 120.570 0.036 0.000 2.270 277 I HA -0.031 4.133 4.170 -0.011 0.000 0.294 277 I C 1.026 177.168 176.117 0.042 0.000 1.164 277 I CA -0.202 61.136 61.300 0.063 0.000 1.680 277 I CB -0.797 37.261 38.000 0.096 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 0.009 0.000 3.327 278 T HA 0.250 4.593 4.350 -0.011 0.000 0.241 278 T C 0.252 174.916 174.700 -0.059 0.000 0.907 278 T CA -0.579 61.511 62.100 -0.017 0.000 0.931 278 T CB -0.146 68.711 68.868 -0.019 0.000 1.112 278 T HN 0.535 nan 8.240 nan 0.000 0.589 279 R N 0.296 120.744 120.500 -0.087 0.000 2.651 279 R HA 0.470 4.803 4.340 -0.011 0.000 0.278 279 R C -1.348 174.755 176.300 -0.328 0.000 1.010 279 R CA -0.459 55.494 56.100 -0.245 0.000 0.896 279 R CB 1.699 31.785 30.300 -0.356 0.000 1.211 279 R HN 0.212 nan 8.270 nan 0.000 0.456 280 T N 3.968 118.313 114.554 -0.349 0.000 2.845 280 T HA 0.431 4.774 4.350 -0.011 0.000 0.288 280 T C -0.728 173.706 174.700 -0.443 0.000 0.980 280 T CA 0.089 62.034 62.100 -0.258 0.000 1.071 280 T CB 0.323 69.103 68.868 -0.146 0.000 0.941 280 T HN 0.258 nan 8.240 nan 0.000 0.487 281 F N 0.364 120.290 119.950 -0.041 0.000 2.594 281 F HA 0.381 4.902 4.527 -0.010 0.000 0.335 281 F C 1.465 177.209 175.800 -0.094 0.000 1.058 281 F CA -1.233 56.736 58.000 -0.051 0.000 0.981 281 F CB 0.897 39.881 39.000 -0.026 0.000 1.289 281 F HN 0.254 nan 8.300 nan 0.000 0.490 282 V N -0.115 119.848 119.914 0.081 0.000 2.546 282 V HA -0.220 3.894 4.120 -0.011 0.000 0.254 282 V C 0.073 175.894 176.094 -0.456 0.000 1.076 282 V CA 1.539 63.712 62.300 -0.212 0.000 1.087 282 V CB -1.061 30.602 31.823 -0.267 0.000 0.674 282 V HN 0.535 nan 8.190 nan 0.000 0.470 283 H N -1.323 117.807 119.070 0.101 0.000 2.808 283 H HA 0.321 4.870 4.556 -0.011 0.000 0.268 283 H C -2.765 172.603 175.328 0.067 0.000 1.306 283 H CA -2.371 53.710 56.048 0.054 0.000 1.565 283 H CB 0.914 30.684 29.762 0.013 0.000 1.632 283 H HN 0.244 nan 8.280 nan 0.000 0.525 284 P HA -0.028 nan 4.420 nan 0.000 0.261 284 P C -0.041 177.316 177.300 0.095 0.000 1.173 284 P CA 0.823 64.008 63.100 0.143 0.000 0.760 284 P CB 0.830 32.589 31.700 0.099 0.000 0.783 285 T N 0.361 114.956 114.554 0.069 0.000 2.804 285 T HA 0.389 4.733 4.350 -0.011 0.000 0.290 285 T C 0.684 175.394 174.700 0.018 0.000 1.099 285 T CA -0.507 61.606 62.100 0.021 0.000 1.011 285 T CB 1.494 70.347 68.868 -0.024 0.000 1.291 285 T HN 0.024 nan 8.240 nan 0.000 0.523 286 S N -0.348 115.353 115.700 0.002 0.000 2.539 286 S HA 0.215 4.679 4.470 -0.011 0.000 0.226 286 S C 0.770 175.369 174.600 -0.002 0.000 1.054 286 S CA -0.330 57.873 58.200 0.006 0.000 0.910 286 S CB -0.105 63.097 63.200 0.004 0.000 0.818 286 S HN 0.620 nan 8.310 nan 0.000 0.490 287 N N 1.859 120.548 118.700 -0.018 0.000 2.492 287 N HA 0.008 4.742 4.740 -0.011 0.000 0.262 287 N C 0.617 176.121 175.510 -0.011 0.000 1.202 287 N CA 0.047 53.084 53.050 -0.022 0.000 0.926 287 N CB 0.514 38.975 38.487 -0.045 0.000 1.078 287 N HN 0.035 nan 8.380 nan 0.000 0.454 288 K N 2.834 123.247 120.400 0.023 0.000 2.116 288 K HA -0.089 4.225 4.320 -0.011 0.000 0.203 288 K C 1.644 178.347 176.600 0.172 0.000 1.052 288 K CA 1.304 57.645 56.287 0.089 0.000 0.952 288 K CB -0.122 32.449 32.500 0.118 0.000 0.729 288 K HN 0.610 nan 8.250 nan 0.000 0.446 289 Q N 0.809 120.655 119.800 0.076 0.000 2.079 289 Q HA 0.052 4.386 4.340 -0.011 0.000 0.200 289 Q C 2.114 178.142 176.000 0.047 0.000 0.974 289 Q CA 0.861 56.698 55.803 0.057 0.000 0.840 289 Q CB -0.160 28.559 28.738 -0.032 0.000 0.898 289 Q HN 0.156 nan 8.270 nan 0.000 0.430 290 L N -0.517 120.690 121.223 -0.027 0.000 2.362 290 L HA -0.161 4.172 4.340 -0.011 0.000 0.219 290 L C 1.894 178.667 176.870 -0.161 0.000 1.134 290 L CA 0.271 55.064 54.840 -0.078 0.000 0.807 290 L CB -0.192 41.811 42.059 -0.093 0.000 0.927 290 L HN 0.418 nan 8.230 nan 0.000 0.447 291 C N -1.010 118.173 119.300 -0.194 0.000 2.486 291 C HA -0.085 4.368 4.460 -0.011 0.000 0.279 291 C C 2.573 177.301 174.990 -0.438 0.000 1.302 291 C CA 0.126 58.831 59.018 -0.522 0.000 1.720 291 C CB -0.635 26.849 27.740 -0.426 0.000 2.030 291 C HN 0.417 nan 8.230 nan 0.000 0.490 292 F N 0.316 120.147 119.950 -0.199 0.000 2.126 292 F HA -0.214 4.306 4.527 -0.011 0.000 0.299 292 F C 2.429 178.212 175.800 -0.029 0.000 1.096 292 F CA 1.838 59.788 58.000 -0.083 0.000 1.255 292 F CB -0.548 38.404 39.000 -0.080 0.000 0.997 292 F HN 0.091 nan 8.300 nan 0.000 0.479 293 M N 0.155 119.819 119.600 0.107 0.000 2.108 293 M HA -0.253 4.221 4.480 -0.011 0.000 0.261 293 M C 2.129 178.436 176.300 0.011 0.000 1.066 293 M CA 1.795 57.131 55.300 0.059 0.000 1.107 293 M CB -0.631 31.963 32.600 -0.011 0.000 1.356 293 M HN 0.137 nan 8.290 nan 0.000 0.406 294 Q N -1.851 117.886 119.800 -0.105 0.000 2.124 294 Q HA -0.247 4.087 4.340 -0.011 0.000 0.202 294 Q C 2.092 178.132 176.000 0.068 0.000 0.977 294 Q CA 1.941 57.693 55.803 -0.085 0.000 0.850 294 Q CB -0.514 28.042 28.738 -0.303 0.000 0.901 294 Q HN 0.739 nan 8.270 nan 0.000 0.429 295 H N 0.770 119.845 119.070 0.009 0.000 2.299 295 H HA -0.063 4.487 4.556 -0.010 0.000 0.302 295 H C 1.878 177.259 175.328 0.088 0.000 1.078 295 H CA 1.679 57.805 56.048 0.131 0.000 1.323 295 H CB -0.159 29.628 29.762 0.042 0.000 1.381 295 H HN 0.113 nan 8.280 nan 0.000 0.498 296 I N 0.222 120.857 120.570 0.107 0.000 2.264 296 I HA -0.263 3.901 4.170 -0.011 0.000 0.248 296 I C 2.184 178.341 176.117 0.068 0.000 1.111 296 I CA 1.348 62.708 61.300 0.101 0.000 1.382 296 I CB -0.246 37.899 38.000 0.243 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 0.079 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 1.192 62.538 61.300 0.077 0.000 1.404 297 I CB -0.258 37.754 38.000 0.020 0.000 1.071 297 I HN 0.242 nan 8.210 nan 0.000 0.419 298 E N 1.244 121.416 120.200 -0.047 0.000 2.028 298 E HA -0.186 4.157 4.350 -0.011 0.000 0.190 298 E C 2.083 178.592 176.600 -0.153 0.000 0.984 298 E CA 2.297 58.647 56.400 -0.085 0.000 0.800 298 E CB -0.283 29.370 29.700 -0.079 0.000 0.758 298 E HN 0.467 nan 8.360 nan 0.000 0.448 299 T N -0.627 113.759 114.554 -0.280 0.000 2.962 299 T HA -0.008 4.335 4.350 -0.011 0.000 0.270 299 T C 1.014 175.564 174.700 -0.249 0.000 1.088 299 T CA 0.238 62.169 62.100 -0.282 0.000 1.127 299 T CB -0.369 68.305 68.868 -0.324 0.000 0.883 299 T HN 0.028 nan 8.240 nan 0.000 0.493 300 L N 2.641 123.781 121.223 -0.139 0.000 2.455 300 L HA 0.154 4.488 4.340 -0.011 0.000 0.272 300 L C 1.004 177.832 176.870 -0.070 0.000 1.174 300 L CA -0.463 54.327 54.840 -0.082 0.000 0.869 300 L CB 0.223 42.318 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 -0.010 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 -1.777 54.275 56.048 0.007 0.000 1.435 301 H CB 0.276 30.030 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 1.223 64.415 63.100 0.154 0.000 0.765 302 P CB 0.481 32.246 31.700 0.109 0.000 0.828 303 G N 2.101 111.000 108.800 0.165 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 0.680 175.754 174.900 0.290 0.000 0.979 303 G CA -0.203 44.998 45.100 0.169 0.000 0.641 303 G HN 0.868 nan 8.290 nan 0.000 0.530 304 G N -0.042 108.924 108.800 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 0.281 175.336 174.900 0.258 0.000 1.219 304 G CA 0.385 45.646 45.100 0.267 0.000 0.866 304 G HN 1.256 nan 8.290 nan 0.000 0.572 305 R N -0.931 119.658 120.500 0.148 0.000 2.771 305 R HA 0.804 5.138 4.340 -0.011 0.000 0.274 305 R C -0.947 175.289 176.300 -0.107 0.000 0.987 305 R CA -0.846 55.283 56.100 0.047 0.000 0.908 305 R CB 1.855 32.138 30.300 -0.030 0.000 1.213 305 R HN 0.900 nan 8.270 nan 0.000 0.468 306 A N 1.000 123.619 122.820 -0.334 0.000 2.594 306 A HA 0.874 5.187 4.320 -0.011 0.000 0.291 306 A C -1.655 175.610 177.584 -0.532 0.000 1.105 306 A CA -0.519 51.235 52.037 -0.471 0.000 0.694 306 A CB 2.118 20.725 19.000 -0.655 0.000 1.291 306 A HN 1.023 nan 8.150 nan 0.000 0.410 307 A N 0.458 123.010 122.820 -0.447 0.000 2.414 307 A HA 0.645 4.958 4.320 -0.011 0.000 0.286 307 A C -1.344 175.967 177.584 -0.456 0.000 1.073 307 A CA -0.354 51.341 52.037 -0.570 0.000 0.727 307 A CB 1.043 19.791 19.000 -0.421 0.000 1.215 307 A HN 1.452 nan 8.150 nan 0.000 0.430 308 V N 3.154 122.838 119.914 -0.384 0.000 2.444 308 V HA 0.347 4.461 4.120 -0.011 0.000 0.294 308 V C -0.047 175.949 176.094 -0.163 0.000 1.022 308 V CA -0.695 61.471 62.300 -0.224 0.000 0.850 308 V CB 1.746 33.538 31.823 -0.051 0.000 0.992 308 V HN 0.650 nan 8.190 nan 0.000 0.426 309 V N 6.315 126.150 119.914 -0.133 0.000 2.470 309 V HA 0.440 4.554 4.120 -0.011 0.000 0.276 309 V C 0.196 176.299 176.094 0.015 0.000 1.040 309 V CA -0.017 62.281 62.300 -0.004 0.000 1.008 309 V CB 1.097 32.986 31.823 0.111 0.000 0.990 309 V HN 0.765 nan 8.190 nan 0.000 0.477 310 V N 3.968 123.917 119.914 0.057 0.000 3.102 310 V HA 0.808 4.921 4.120 -0.011 0.000 0.312 310 V C -2.982 173.158 176.094 0.077 0.000 1.135 310 V CA -2.776 59.561 62.300 0.062 0.000 1.022 310 V CB 2.432 34.259 31.823 0.007 0.000 1.056 310 V HN 0.604 nan 8.190 nan 0.000 0.436 311 P HA 0.452 nan 4.420 nan 0.000 0.278 311 P C -0.315 176.940 177.300 -0.074 0.000 1.258 311 P CA -0.189 62.892 63.100 -0.033 0.000 0.811 311 P CB 0.821 32.515 31.700 -0.010 0.000 1.063 312 D N 0.109 120.475 120.400 -0.057 0.000 2.149 312 D HA -0.183 4.450 4.640 -0.011 0.000 0.198 312 D C 1.595 177.646 176.300 -0.415 0.000 0.990 312 D CA 1.267 55.269 54.000 0.003 0.000 0.839 312 D CB -0.472 40.509 40.800 0.301 0.000 0.948 312 D HN 0.463 nan 8.370 nan 0.000 0.460 313 N N 0.726 119.058 118.700 -0.613 0.000 2.060 313 N HA -0.184 4.550 4.740 -0.011 0.000 0.195 313 N C 1.917 177.010 175.510 -0.695 0.000 1.028 313 N CA 1.365 53.818 53.050 -0.995 0.000 0.861 313 N CB -0.773 37.437 38.487 -0.463 0.000 1.029 313 N HN 0.150 nan 8.380 nan 0.000 0.428 314 V N 1.825 121.526 119.914 -0.356 0.000 2.453 314 V HA -0.200 3.913 4.120 -0.011 0.000 0.252 314 V C 2.537 178.517 176.094 -0.191 0.000 1.068 314 V CA 1.389 63.560 62.300 -0.215 0.000 1.070 314 V CB -0.625 31.126 31.823 -0.120 0.000 0.664 314 V HN 0.270 nan 8.190 nan 0.000 0.461 315 L N -0.772 120.333 121.223 -0.195 0.000 2.162 315 L HA 0.009 4.342 4.340 -0.011 0.000 0.205 315 L C 1.933 178.804 176.870 0.001 0.000 1.086 315 L CA 1.228 56.033 54.840 -0.057 0.000 0.778 315 L CB -0.313 41.778 42.059 0.052 0.000 0.928 315 L HN 0.578 nan 8.230 nan 0.000 0.446 316 F N -1.330 118.600 119.950 -0.033 0.000 2.735 316 F HA 0.425 4.943 4.527 -0.015 0.000 0.304 316 F C 0.487 176.263 175.800 -0.040 0.000 1.119 316 F CA -0.989 56.988 58.000 -0.039 0.000 1.280 316 F CB -0.651 38.327 39.000 -0.037 0.000 0.994 316 F HN -0.142 nan 8.300 nan 0.000 0.520 317 E N 1.516 121.611 120.200 -0.174 0.000 2.259 317 E HA 0.485 4.828 4.350 -0.011 0.000 0.281 317 E C 0.788 177.364 176.600 -0.041 0.000 1.027 317 E CA -0.355 55.978 56.400 -0.111 0.000 0.838 317 E CB 1.039 30.624 29.700 -0.191 0.000 1.066 317 E HN 0.479 nan 8.360 nan 0.000 0.401 318 G N 2.359 111.156 108.800 -0.005 0.000 2.504 318 G HA2 0.475 4.428 3.960 -0.011 0.000 0.257 318 G HA3 0.475 4.428 3.960 -0.011 0.000 0.257 318 G C 0.648 175.528 174.900 -0.033 0.000 1.451 318 G CA 0.044 45.135 45.100 -0.015 0.000 1.059 318 G HN 0.915 nan 8.290 nan 0.000 0.550 319 G N -0.254 108.528 108.800 -0.031 0.000 2.595 319 G HA2 -0.291 3.663 3.960 -0.011 0.000 0.297 319 G HA3 -0.291 3.663 3.960 -0.011 0.000 0.297 319 G C 1.206 176.075 174.900 -0.051 0.000 1.181 319 G CA 0.842 45.922 45.100 -0.033 0.000 0.963 319 G HN 0.692 nan 8.290 nan 0.000 0.541 320 K N 2.311 122.679 120.400 -0.053 0.000 2.393 320 K HA 0.184 4.497 4.320 -0.011 0.000 0.193 320 K C 2.554 179.093 176.600 -0.101 0.000 1.026 320 K CA 1.330 57.572 56.287 -0.074 0.000 1.064 320 K CB -0.367 32.110 32.500 -0.039 0.000 0.833 320 K HN 0.577 nan 8.250 nan 0.000 0.521 321 G N 0.789 109.537 108.800 -0.086 0.000 2.422 321 G HA2 -0.210 3.744 3.960 -0.011 0.000 0.218 321 G HA3 -0.210 3.744 3.960 -0.011 0.000 0.218 321 G C 1.423 176.261 174.900 -0.103 0.000 1.146 321 G CA 1.170 46.213 45.100 -0.096 0.000 0.769 321 G HN 0.245 nan 8.290 nan 0.000 0.547 322 T N 0.940 115.436 114.554 -0.096 0.000 2.857 322 T HA -0.041 4.302 4.350 -0.011 0.000 0.266 322 T C 1.909 176.529 174.700 -0.134 0.000 1.048 322 T CA 1.233 63.276 62.100 -0.096 0.000 1.139 322 T CB -0.168 68.654 68.868 -0.078 0.000 0.874 322 T HN 0.187 nan 8.240 nan 0.000 0.455 323 D N 1.257 121.542 120.400 -0.191 0.000 2.117 323 D HA 0.009 4.643 4.640 -0.011 0.000 0.198 323 D C 2.084 178.162 176.300 -0.370 0.000 0.982 323 D CA 0.859 54.660 54.000 -0.332 0.000 0.828 323 D CB -0.204 40.297 40.800 -0.498 0.000 0.967 323 D HN 0.361 nan 8.370 nan 0.000 0.464 324 I N 0.483 120.894 120.570 -0.266 0.000 2.394 324 I HA -0.166 3.998 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 0.599 61.814 61.300 -0.141 0.000 1.425 324 I CB -0.083 37.862 38.000 -0.093 0.000 1.079 324 I HN -0.121 nan 8.210 nan 0.000 0.425 325 R N 0.826 121.259 120.500 -0.111 0.000 2.115 325 R HA -0.047 4.287 4.340 -0.011 0.000 0.226 325 R C 2.379 178.631 176.300 -0.079 0.000 1.100 325 R CA 0.948 56.993 56.100 -0.092 0.000 0.980 325 R CB 0.060 30.313 30.300 -0.078 0.000 0.875 325 R HN 0.256 nan 8.270 nan 0.000 0.445 326 R N -0.393 120.057 120.500 -0.083 0.000 2.119 326 R HA -0.080 4.253 4.340 -0.011 0.000 0.222 326 R C 1.602 177.882 176.300 -0.033 0.000 1.088 326 R CA 1.358 57.424 56.100 -0.057 0.000 0.984 326 R CB -0.117 30.143 30.300 -0.066 0.000 0.884 326 R HN 0.176 nan 8.270 nan 0.000 0.447 327 D N 0.533 120.913 120.400 -0.032 0.000 2.123 327 D HA -0.134 4.500 4.640 -0.011 0.000 0.200 327 D C 1.731 178.022 176.300 -0.015 0.000 0.976 327 D CA 0.603 54.622 54.000 0.032 0.000 0.831 327 D CB 0.118 40.995 40.800 0.128 0.000 0.974 327 D HN 0.010 nan 8.370 nan 0.000 0.469 328 L N 0.084 121.264 121.223 -0.072 0.000 2.017 328 L HA -0.059 4.275 4.340 -0.011 0.000 0.208 328 L C 2.056 178.846 176.870 -0.133 0.000 1.073 328 L CA 1.710 56.453 54.840 -0.162 0.000 0.745 328 L CB -0.499 41.417 42.059 -0.238 0.000 0.894 328 L HN 0.091 nan 8.230 nan 0.000 0.432 329 M N -0.899 118.656 119.600 -0.076 0.000 2.630 329 M HA -0.095 4.378 4.480 -0.011 0.000 0.254 329 M C 1.181 177.495 176.300 0.024 0.000 1.092 329 M CA 0.678 55.967 55.300 -0.018 0.000 1.087 329 M CB -0.331 32.269 32.600 -0.000 0.000 1.453 329 M HN 0.313 nan 8.290 nan 0.000 0.509 330 D N 0.719 121.128 120.400 0.014 0.000 2.320 330 D HA 0.001 4.635 4.640 -0.011 0.000 0.228 330 D C 1.672 178.001 176.300 0.047 0.000 0.978 330 D CA 1.071 55.093 54.000 0.036 0.000 0.905 330 D CB 0.196 41.016 40.800 0.034 0.000 1.051 330 D HN 0.210 nan 8.370 nan 0.000 0.471 331 K N -0.589 119.830 120.400 0.033 0.000 2.366 331 K HA 0.065 4.379 4.320 -0.011 0.000 0.198 331 K C 0.444 177.087 176.600 0.073 0.000 1.044 331 K CA 0.302 56.617 56.287 0.046 0.000 0.973 331 K CB 0.455 32.974 32.500 0.031 0.000 0.767 331 K HN 0.133 nan 8.250 nan 0.000 0.475 332 C N -0.572 118.761 119.300 0.055 0.000 2.848 332 C HA 0.260 4.714 4.460 -0.011 0.000 0.317 332 C C -0.151 174.964 174.990 0.208 0.000 1.260 332 C CA -1.107 57.988 59.018 0.128 0.000 1.656 332 C CB 1.349 29.053 27.740 -0.060 0.000 2.174 332 C HN 0.404 nan 8.230 nan 0.000 0.479 333 H N 1.948 121.159 119.070 0.236 0.000 2.628 333 H HA 0.368 4.918 4.556 -0.010 0.000 0.250 333 H C -0.926 174.634 175.328 0.387 0.000 1.442 333 H CA -0.509 55.699 56.048 0.268 0.000 1.282 333 H CB 0.395 30.322 29.762 0.274 0.000 1.487 333 H HN 0.585 nan 8.280 nan 0.000 0.544 334 L N 6.880 128.141 121.223 0.063 0.000 2.433 334 L HA 0.018 4.352 4.340 -0.011 0.000 0.275 334 L C 1.149 177.981 176.870 -0.062 0.000 1.128 334 L CA 0.403 55.277 54.840 0.057 0.000 0.875 334 L CB 0.163 42.242 42.059 0.032 0.000 1.171 334 L HN 0.672 nan 8.230 nan 0.000 0.463 335 H N 1.042 120.132 119.070 0.034 0.000 3.017 335 H HA 0.335 4.885 4.556 -0.010 0.000 0.255 335 H C -0.402 175.095 175.328 0.281 0.000 0.990 335 H CA -0.047 56.026 56.048 0.041 0.000 1.205 335 H CB 0.442 30.170 29.762 -0.056 0.000 1.460 335 H HN 0.496 nan 8.280 nan 0.000 0.478 336 T N 2.274 116.887 114.554 0.098 0.000 2.916 336 T HA 0.574 4.918 4.350 -0.011 0.000 0.298 336 T C -0.516 174.521 174.700 0.562 0.000 1.031 336 T CA -0.574 61.800 62.100 0.457 0.000 0.993 336 T CB 2.454 71.654 68.868 0.554 0.000 1.045 336 T HN 0.145 nan 8.240 nan 0.000 0.454 337 I N 3.198 124.108 120.570 0.566 0.000 2.478 337 I HA 0.402 4.566 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 0.465 0.000 1.067 337 I CB 1.976 40.169 38.000 0.322 0.000 1.233 337 I HN 0.343 nan 8.210 nan 0.000 0.431 338 L N 7.526 128.970 121.223 0.368 0.000 2.280 338 L HA 0.476 4.809 4.340 -0.011 0.000 0.287 338 L C -0.209 176.737 176.870 0.127 0.000 1.023 338 L CA -0.153 54.781 54.840 0.156 0.000 0.819 338 L CB 0.609 42.593 42.059 -0.125 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 0.127 0.000 2.205 339 R HA 0.369 4.702 4.340 -0.011 0.000 0.342 339 R C -0.691 175.627 176.300 0.029 0.000 1.058 339 R CA -0.626 55.514 56.100 0.067 0.000 0.904 339 R CB 0.339 30.661 30.300 0.037 0.000 1.089 339 R HN 0.639 nan 8.270 nan 0.000 0.471 340 L N 4.726 125.953 121.223 0.007 0.000 2.464 340 L HA 0.218 4.551 4.340 -0.011 0.000 0.264 340 L C -1.795 175.029 176.870 -0.077 0.000 1.199 340 L CA -1.689 53.123 54.840 -0.046 0.000 0.818 340 L CB 0.180 42.217 42.059 -0.036 0.000 1.102 340 L HN 0.207 nan 8.230 nan 0.000 0.473 341 P HA 0.160 nan 4.420 nan 0.000 0.293 341 P C -0.979 176.273 177.300 -0.081 0.000 1.298 341 P CA -0.375 62.673 63.100 -0.086 0.000 0.757 341 P CB 0.455 32.123 31.700 -0.053 0.000 1.262 342 T N -4.597 109.949 114.554 -0.014 0.000 2.912 342 T HA 0.573 4.917 4.350 -0.011 0.000 0.288 342 T C 0.688 175.404 174.700 0.028 0.000 1.030 342 T CA -0.139 61.954 62.100 -0.011 0.000 1.020 342 T CB 1.127 69.983 68.868 -0.020 0.000 1.056 342 T HN 0.787 nan 8.240 nan 0.000 0.480 343 G N 1.128 109.941 108.800 0.021 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 0.526 175.442 174.900 0.027 0.000 0.989 343 G CA 0.310 45.434 45.100 0.041 0.000 0.682 343 G HN 1.302 nan 8.290 nan 0.000 0.522 344 I N -3.862 116.664 120.570 -0.073 0.000 3.783 344 I HA 0.581 4.745 4.170 -0.011 0.000 0.310 344 I C 0.608 176.623 176.117 -0.169 0.000 1.274 344 I CA -0.388 60.749 61.300 -0.271 0.000 1.294 344 I CB 0.121 37.646 38.000 -0.792 0.000 1.051 344 I HN -0.019 nan 8.210 nan 0.000 0.435 345 F N 0.879 120.843 119.950 0.024 0.000 2.458 345 F HA 0.285 4.806 4.527 -0.009 0.000 0.330 345 F C 1.201 177.115 175.800 0.190 0.000 1.082 345 F CA -1.038 57.078 58.000 0.195 0.000 0.995 345 F CB 0.975 40.023 39.000 0.080 0.000 1.170 345 F HN -0.010 nan 8.300 nan 0.000 0.478 346 Y N 2.196 122.686 120.300 0.317 0.000 2.365 346 Y HA -0.089 4.456 4.550 -0.009 0.000 0.287 346 Y C 1.246 177.197 175.900 0.084 0.000 1.162 346 Y CA 0.630 58.783 58.100 0.089 0.000 1.260 346 Y CB -1.043 37.432 38.460 0.025 0.000 0.976 346 Y HN 0.472 nan 8.280 nan 0.000 0.548 347 A N 0.041 122.668 122.820 -0.321 0.000 3.559 347 A HA 0.282 4.596 4.320 -0.011 0.000 0.145 347 A C 1.572 178.989 177.584 -0.279 0.000 1.506 347 A CA 1.283 53.002 52.037 -0.531 0.000 1.065 347 A CB -0.340 18.559 19.000 -0.168 0.000 1.485 347 A HN 0.498 nan 8.150 nan 0.000 0.698 348 Q N -3.790 115.908 119.800 -0.171 0.000 1.643 348 Q HA 0.010 4.343 4.340 -0.011 0.000 0.147 348 Q C 0.947 176.886 176.000 -0.102 0.000 0.558 348 Q CA 0.675 56.410 55.803 -0.114 0.000 0.894 348 Q CB -0.629 28.031 28.738 -0.130 0.000 0.961 348 Q HN 0.855 nan 8.270 nan 0.000 0.213 349 G N 2.751 111.483 108.800 -0.114 0.000 3.284 349 G HA2 0.426 4.379 3.960 -0.011 0.000 0.251 349 G HA3 0.426 4.379 3.960 -0.011 0.000 0.251 349 G C 0.130 174.956 174.900 -0.123 0.000 0.913 349 G CA 0.698 45.739 45.100 -0.098 0.000 1.947 349 G HN 0.110 nan 8.290 nan 0.000 0.635 350 V N -3.082 116.736 119.914 -0.160 0.000 3.001 350 V HA 0.773 4.887 4.120 -0.011 0.000 0.314 350 V C -0.767 175.205 176.094 -0.204 0.000 1.099 350 V CA -1.742 60.419 62.300 -0.232 0.000 0.989 350 V CB 2.266 33.833 31.823 -0.427 0.000 1.040 350 V HN 0.133 nan 8.190 nan 0.000 0.434 351 K N 2.063 122.346 120.400 -0.196 0.000 2.413 351 K HA 0.711 5.024 4.320 -0.011 0.000 0.257 351 K C -0.613 175.887 176.600 -0.167 0.000 0.946 351 K CA -0.383 55.826 56.287 -0.129 0.000 0.823 351 K CB 2.162 34.638 32.500 -0.040 0.000 1.109 351 K HN 1.079 nan 8.250 nan 0.000 0.427 352 T N -0.101 114.366 114.554 -0.144 0.000 2.908 352 T HA 0.599 4.943 4.350 -0.011 0.000 0.290 352 T C -0.451 174.250 174.700 0.001 0.000 1.034 352 T CA -0.937 61.097 62.100 -0.110 0.000 1.010 352 T CB 1.343 70.101 68.868 -0.182 0.000 1.068 352 T HN 0.511 nan 8.240 nan 0.000 0.481 353 N N -0.485 118.236 118.700 0.035 0.000 2.831 353 N HA 0.720 5.453 4.740 -0.011 0.000 0.276 353 N C -1.707 173.838 175.510 0.059 0.000 1.416 353 N CA -0.962 52.124 53.050 0.061 0.000 0.799 353 N CB 1.958 40.488 38.487 0.071 0.000 1.554 353 N HN 0.566 nan 8.380 nan 0.000 0.541 354 V N 1.034 120.983 119.914 0.059 0.000 2.482 354 V HA 0.409 4.522 4.120 -0.011 0.000 0.295 354 V C -0.898 175.138 176.094 -0.096 0.000 1.026 354 V CA -0.644 61.614 62.300 -0.070 0.000 0.856 354 V CB 1.074 32.851 31.823 -0.077 0.000 1.001 354 V HN 0.431 nan 8.190 nan 0.000 0.424 355 L N 5.084 126.218 121.223 -0.148 0.000 2.307 355 L HA 0.617 4.950 4.340 -0.011 0.000 0.282 355 L C -0.948 175.793 176.870 -0.214 0.000 1.051 355 L CA -0.151 54.704 54.840 0.024 0.000 0.804 355 L CB 1.058 43.230 42.059 0.189 0.000 1.197 355 L HN 0.447 nan 8.230 nan 0.000 0.431 356 F N 3.937 123.944 119.950 0.094 0.000 2.467 356 F HA 0.631 5.152 4.527 -0.010 0.000 0.336 356 F C -0.116 175.510 175.800 -0.290 0.000 1.123 356 F CA -0.676 57.268 58.000 -0.093 0.000 0.964 356 F CB 1.405 40.443 39.000 0.063 0.000 1.136 356 F HN 0.255 nan 8.300 nan 0.000 0.447 357 F N -0.905 119.089 119.950 0.073 0.000 2.713 357 F HA 0.797 5.318 4.527 -0.011 0.000 0.311 357 F C -1.177 174.828 175.800 0.342 0.000 1.141 357 F CA -1.116 56.982 58.000 0.164 0.000 0.939 357 F CB 1.256 40.303 39.000 0.077 0.000 1.325 357 F HN 0.157 nan 8.300 nan 0.000 0.453 358 T N 1.000 115.965 114.554 0.685 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 -0.731 61.700 62.100 0.553 0.000 0.997 358 T CB 1.491 70.720 68.868 0.601 0.000 0.992 358 T HN 0.731 nan 8.240 nan 0.000 0.454 359 K N 2.350 122.981 120.400 0.385 0.000 2.338 359 K HA 0.490 4.803 4.320 -0.011 0.000 0.290 359 K C 0.991 177.723 176.600 0.220 0.000 1.069 359 K CA 0.999 57.459 56.287 0.288 0.000 0.941 359 K CB -0.628 32.007 32.500 0.226 0.000 1.023 359 K HN 0.886 nan 8.250 nan 0.000 0.477 360 G N 2.636 111.550 108.800 0.190 0.000 2.539 360 G HA2 -0.267 3.686 3.960 -0.011 0.000 0.256 360 G HA3 -0.267 3.686 3.960 -0.011 0.000 0.256 360 G C -0.377 174.604 174.900 0.135 0.000 1.233 360 G CA -0.030 45.150 45.100 0.133 0.000 0.936 360 G HN 1.159 nan 8.290 nan 0.000 0.571 361 T N -3.688 110.896 114.554 0.052 0.000 2.906 361 T HA 0.659 5.003 4.350 -0.011 0.000 0.295 361 T C 1.241 175.901 174.700 -0.068 0.000 1.075 361 T CA 0.415 62.498 62.100 -0.029 0.000 1.005 361 T CB 1.776 70.578 68.868 -0.110 0.000 1.136 361 T HN 1.343 nan 8.240 nan 0.000 0.498 362 V N 1.629 121.456 119.914 -0.145 0.000 2.324 362 V HA -0.139 3.975 4.120 -0.011 0.000 0.250 362 V C 3.082 179.103 176.094 -0.121 0.000 1.060 362 V CA 2.637 64.812 62.300 -0.208 0.000 1.042 362 V CB -1.454 30.201 31.823 -0.281 0.000 0.650 362 V HN 1.073 nan 8.190 nan 0.000 0.450 363 A N -0.280 122.481 122.820 -0.098 0.000 1.930 363 A HA -0.074 4.240 4.320 -0.011 0.000 0.217 363 A C 1.184 178.742 177.584 -0.043 0.000 1.175 363 A CA 1.317 53.315 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 -0.631 118.047 118.700 -0.037 0.000 2.762 364 N HA 0.259 4.992 4.740 -0.011 0.000 0.252 364 N C -2.626 172.885 175.510 0.002 0.000 1.269 364 N CA -1.138 51.904 53.050 -0.014 0.000 0.799 364 N CB 1.281 39.763 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 0.550 177.881 177.300 0.051 0.000 1.142 365 P CA 1.191 64.311 63.100 0.034 0.000 0.788 365 P CB 0.372 32.091 31.700 0.031 0.000 0.767 366 N N -1.827 116.895 118.700 0.037 0.000 2.184 366 N HA 0.015 4.748 4.740 -0.011 0.000 0.206 366 N C 0.482 176.015 175.510 0.038 0.000 1.151 366 N CA -0.044 53.030 53.050 0.041 0.000 0.878 366 N CB 0.172 38.678 38.487 0.031 0.000 1.014 366 N HN 0.301 nan 8.380 nan 0.000 0.512 367 Q N 1.266 121.088 119.800 0.036 0.000 2.283 367 Q HA -0.091 4.243 4.340 -0.011 0.000 0.301 367 Q C 0.015 176.041 176.000 0.044 0.000 1.063 367 Q CA 0.612 56.436 55.803 0.035 0.000 0.952 367 Q CB 0.628 29.385 28.738 0.032 0.000 1.166 367 Q HN 0.045 nan 8.270 nan 0.000 0.381 368 D N 2.671 123.093 120.400 0.037 0.000 2.327 368 D HA 0.104 4.738 4.640 -0.011 0.000 0.205 368 D C -0.359 175.964 176.300 0.040 0.000 0.989 368 D CA 0.856 54.879 54.000 0.037 0.000 0.873 368 D CB 0.594 41.411 40.800 0.029 0.000 0.955 368 D HN 0.378 nan 8.370 nan 0.000 0.515 369 K N 0.141 120.565 120.400 0.039 0.000 2.509 369 K HA 0.254 4.568 4.320 -0.011 0.000 0.266 369 K C -0.286 176.341 176.600 0.046 0.000 0.987 369 K CA -0.764 55.547 56.287 0.040 0.000 0.868 369 K CB 1.690 34.209 32.500 0.032 0.000 1.421 369 K HN -0.280 nan 8.250 nan 0.000 0.444 370 N N -0.173 118.556 118.700 0.049 0.000 2.696 370 N HA -0.210 4.523 4.740 -0.011 0.000 0.249 370 N C 0.630 176.186 175.510 0.077 0.000 1.090 370 N CA 0.629 53.713 53.050 0.057 0.000 0.716 370 N CB -2.114 36.400 38.487 0.044 0.000 1.020 370 N HN 0.589 nan 8.380 nan 0.000 0.548 371 C N -0.298 119.061 119.300 0.097 0.000 2.440 371 C HA -0.045 4.409 4.460 -0.011 0.000 0.278 371 C C 1.519 176.658 174.990 0.249 0.000 1.295 371 C CA 0.707 59.807 59.018 0.136 0.000 1.738 371 C CB -0.510 27.325 27.740 0.159 0.000 1.987 371 C HN 0.460 nan 8.230 nan 0.000 0.492 372 T N 1.901 116.596 114.554 0.234 0.000 2.817 372 T HA 0.225 4.568 4.350 -0.011 0.000 0.293 372 T C 0.664 175.493 174.700 0.215 0.000 0.964 372 T CA 0.046 62.316 62.100 0.282 0.000 1.085 372 T CB 0.768 69.728 68.868 0.153 0.000 0.921 372 T HN 0.591 nan 8.240 nan 0.000 0.502 373 D N 1.624 122.175 120.400 0.251 0.000 3.195 373 D HA 0.072 4.706 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 54.097 54.000 0.166 0.000 1.259 373 D CB 0.374 41.266 40.800 0.153 0.000 1.199 373 D HN 0.316 nan 8.370 nan 0.000 0.345 374 D N 0.818 121.311 120.400 0.154 0.000 2.278 374 D HA 0.455 5.089 4.640 -0.011 0.000 0.245 374 D C -0.828 175.511 176.300 0.064 0.000 1.052 374 D CA -0.433 53.595 54.000 0.047 0.000 0.834 374 D CB 3.073 43.879 40.800 0.010 0.000 1.194 374 D HN -0.101 nan 8.370 nan 0.000 0.481 375 V N 3.178 123.082 119.914 -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 -0.076 0.000 1.020 375 V CA -0.836 61.506 62.300 0.069 0.000 0.850 375 V CB 1.216 33.123 31.823 0.140 0.000 0.987 375 V HN 0.426 nan 8.190 nan 0.000 0.436 376 W N 3.716 125.013 121.300 -0.005 0.000 2.390 376 W HA 0.669 5.322 4.660 -0.011 0.000 0.312 376 W C -0.355 176.189 176.519 0.041 0.000 1.123 376 W CA -0.435 56.778 57.345 -0.220 0.000 1.202 376 W CB 1.548 30.695 29.460 -0.522 0.000 1.251 376 W HN 0.291 nan 8.180 nan 0.000 0.511 377 V N 4.018 124.110 119.914 0.298 0.000 2.604 377 V HA 0.315 4.429 4.120 -0.011 0.000 0.305 377 V C -1.413 175.168 176.094 0.812 0.000 1.043 377 V CA -1.302 61.343 62.300 0.575 0.000 0.888 377 V CB 1.567 33.771 31.823 0.634 0.000 0.995 377 V HN 0.341 nan 8.190 nan 0.000 0.429 378 Y N 2.850 123.592 120.300 0.737 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 0.347 0.000 0.965 378 Y CA -0.775 57.771 58.100 0.743 0.000 1.208 378 Y CB 1.237 40.166 38.460 0.780 0.000 1.132 378 Y HN 0.706 nan 8.280 nan 0.000 0.469 379 D N 6.738 127.071 120.400 -0.112 0.000 2.359 379 D HA 0.062 4.696 4.640 -0.011 0.000 0.250 379 D C -0.058 176.147 176.300 -0.159 0.000 1.264 379 D CA 0.457 54.327 54.000 -0.218 0.000 0.911 379 D CB 0.622 41.114 40.800 -0.513 0.000 1.056 379 D HN 0.781 nan 8.370 nan 0.000 0.499 380 L N 4.392 125.651 121.223 0.061 0.000 2.965 380 L HA 0.223 4.557 4.340 -0.011 0.000 0.254 380 L C 1.469 178.346 176.870 0.012 0.000 1.220 380 L CA -0.053 54.863 54.840 0.127 0.000 1.023 380 L CB 0.167 42.391 42.059 0.274 0.000 1.355 380 L HN 0.321 nan 8.230 nan 0.000 0.545 381 R N -0.557 119.923 120.500 -0.033 0.000 2.107 381 R HA 0.067 4.401 4.340 -0.011 0.000 0.195 381 R C 0.872 177.142 176.300 -0.050 0.000 1.214 381 R CA 0.719 56.795 56.100 -0.041 0.000 1.129 381 R CB 0.090 30.359 30.300 -0.052 0.000 1.045 381 R HN 0.307 nan 8.270 nan 0.000 0.489 382 T N 1.607 116.108 114.554 -0.087 0.000 2.928 382 T HA -0.003 4.341 4.350 -0.011 0.000 0.305 382 T C 0.187 174.861 174.700 -0.043 0.000 1.035 382 T CA 0.403 62.455 62.100 -0.080 0.000 1.145 382 T CB 0.159 68.952 68.868 -0.126 0.000 0.963 382 T HN 0.694 nan 8.240 nan 0.000 0.545 383 N N 2.526 121.212 118.700 -0.023 0.000 2.746 383 N HA -0.169 4.564 4.740 -0.011 0.000 0.250 383 N C -0.807 174.717 175.510 0.024 0.000 1.055 383 N CA 0.247 53.301 53.050 0.006 0.000 0.699 383 N CB -1.550 36.955 38.487 0.030 0.000 0.919 383 N HN 0.568 nan 8.380 nan 0.000 0.548 384 M N 0.582 120.175 119.600 -0.012 0.000 2.664 384 M HA 0.506 4.980 4.480 -0.011 0.000 0.314 384 M C -2.049 174.169 176.300 -0.138 0.000 1.200 384 M CA -1.946 53.328 55.300 -0.042 0.000 0.916 384 M CB 0.792 33.383 32.600 -0.015 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 -0.573 176.360 177.300 -0.611 0.000 1.233 385 P CA -0.104 62.757 63.100 -0.398 0.000 0.764 385 P CB -0.189 31.259 31.700 -0.421 0.000 0.825 386 S N 3.672 119.186 115.700 -0.310 0.000 2.973 386 S HA 0.004 4.468 4.470 -0.011 0.000 0.357 386 S C 0.241 174.706 174.600 -0.225 0.000 1.159 386 S CA -0.314 57.765 58.200 -0.202 0.000 1.423 386 S CB -1.262 61.878 63.200 -0.101 0.000 1.115 386 S HN 0.213 nan 8.310 nan 0.000 0.563 387 F N 2.489 122.411 119.950 -0.047 0.000 2.506 387 F HA 0.588 5.108 4.527 -0.012 0.000 0.351 387 F C 1.443 177.235 175.800 -0.014 0.000 1.136 387 F CA 0.932 58.914 58.000 -0.029 0.000 1.298 387 F CB 0.593 39.557 39.000 -0.060 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 0.214 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 -0.178 174.790 174.900 0.113 0.000 1.303 388 G CA -0.765 44.407 45.100 0.119 0.000 0.825 388 G HN 0.503 nan 8.290 nan 0.000 0.484 389 K N -0.029 120.411 120.400 0.067 0.000 2.280 389 K HA -0.094 4.220 4.320 -0.011 0.000 0.202 389 K C 2.515 179.151 176.600 0.061 0.000 1.047 389 K CA 1.499 57.821 56.287 0.058 0.000 0.942 389 K CB -0.053 32.464 32.500 0.028 0.000 0.739 389 K HN 0.429 nan 8.250 nan 0.000 0.457 390 R N -0.458 120.075 120.500 0.055 0.000 2.057 390 R HA 0.008 4.342 4.340 -0.011 0.000 0.224 390 R C 0.437 176.776 176.300 0.066 0.000 1.136 390 R CA 0.921 57.048 56.100 0.045 0.000 0.968 390 R CB -0.980 29.334 30.300 0.024 0.000 0.863 390 R HN -0.075 nan 8.270 nan 0.000 0.433 391 T N 5.089 119.690 114.554 0.079 0.000 3.145 391 T HA 0.298 4.642 4.350 -0.011 0.000 0.362 391 T C -2.503 172.366 174.700 0.281 0.000 1.340 391 T CA -1.389 60.772 62.100 0.101 0.000 1.069 391 T CB 1.777 70.610 68.868 -0.059 0.000 1.129 391 T HN 0.160 nan 8.240 nan 0.000 0.585 392 P HA 0.216 nan 4.420 nan 0.000 0.275 392 P C -0.655 176.971 177.300 0.542 0.000 1.228 392 P CA -0.616 62.695 63.100 0.350 0.000 0.786 392 P CB 0.757 32.586 31.700 0.216 0.000 0.927 393 F N 3.913 123.960 119.950 0.161 0.000 2.413 393 F HA 0.305 4.828 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 0.234 58.149 58.000 -0.141 0.000 1.160 393 F CB 0.285 38.886 39.000 -0.666 0.000 1.146 393 F HN 0.308 nan 8.300 nan 0.000 0.514 394 T N 0.797 115.351 114.554 0.000 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 -0.557 61.433 62.100 -0.183 0.000 1.002 394 T CB 1.211 70.024 68.868 -0.092 0.000 1.200 394 T HN 0.389 nan 8.240 nan 0.000 0.560 395 D N -0.064 120.180 120.400 -0.261 0.000 2.264 395 D HA 0.006 4.639 4.640 -0.011 0.000 0.208 395 D C 1.686 177.868 176.300 -0.196 0.000 0.966 395 D CA 0.653 54.517 54.000 -0.226 0.000 0.864 395 D CB -0.174 40.530 40.800 -0.160 0.000 0.933 395 D HN 0.570 nan 8.370 nan 0.000 0.499 396 E N -0.039 120.023 120.200 -0.228 0.000 2.110 396 E HA -0.149 4.194 4.350 -0.011 0.000 0.193 396 E C 1.628 178.169 176.600 -0.098 0.000 0.988 396 E CA 0.893 57.174 56.400 -0.197 0.000 0.804 396 E CB -0.142 29.397 29.700 -0.268 0.000 0.745 396 E HN 0.514 nan 8.360 nan 0.000 0.458 397 H N -0.902 118.181 119.070 0.021 0.000 2.524 397 H HA 0.025 4.576 4.556 -0.009 0.000 0.282 397 H C 1.651 177.052 175.328 0.122 0.000 1.016 397 H CA 0.809 56.948 56.048 0.152 0.000 1.270 397 H CB 0.207 29.906 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 0.072 0.000 2.590 398 L HA 0.019 4.353 4.340 -0.011 0.000 0.227 398 L C 2.298 179.213 176.870 0.076 0.000 1.099 398 L CA 0.126 55.025 54.840 0.098 0.000 0.872 398 L CB 0.080 42.163 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 -0.196 4.138 4.340 -0.011 0.000 0.204 399 Q C -0.556 175.418 176.000 -0.043 0.000 0.982 399 Q CA 1.708 57.497 55.803 -0.024 0.000 0.850 399 Q CB -0.869 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 0.969 178.143 177.300 -0.209 0.000 1.157 400 P CA 0.999 64.094 63.100 -0.008 0.000 0.863 400 P CB -0.148 31.667 31.700 0.192 0.000 0.787 401 F N 1.977 121.639 119.950 -0.479 0.000 2.102 401 F HA -0.190 4.332 4.527 -0.009 0.000 0.298 401 F C 2.089 177.576 175.800 -0.522 0.000 1.105 401 F CA 1.715 59.183 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 0.247 120.078 120.200 -0.614 0.000 2.204 402 E HA -0.205 4.138 4.350 -0.011 0.000 0.194 402 E C 2.239 178.579 176.600 -0.433 0.000 0.989 402 E CA 0.853 56.885 56.400 -0.613 0.000 0.824 402 E CB -0.480 29.062 29.700 -0.263 0.000 0.756 402 E HN 0.476 nan 8.360 nan 0.000 0.477 403 R N 0.821 121.113 120.500 -0.347 0.000 2.061 403 R HA -0.101 4.233 4.340 -0.011 0.000 0.230 403 R C 2.807 178.907 176.300 -0.332 0.000 1.140 403 R CA 1.787 57.734 56.100 -0.256 0.000 0.940 403 R CB -0.592 29.599 30.300 -0.180 0.000 0.839 403 R HN 0.298 nan 8.270 nan 0.000 0.429 404 V N -1.471 118.142 119.914 -0.502 0.000 2.490 404 V HA -0.257 3.856 4.120 -0.011 0.000 0.250 404 V C 2.018 177.748 176.094 -0.607 0.000 1.061 404 V CA 1.570 63.490 62.300 -0.634 0.000 1.064 404 V CB -1.149 29.964 31.823 -1.184 0.000 0.670 404 V HN 0.272 nan 8.190 nan 0.000 0.461 405 Y N 2.890 122.668 120.300 -0.871 0.000 2.114 405 Y HA 0.239 4.782 4.550 -0.011 0.000 0.282 405 Y C 1.445 177.115 175.900 -0.384 0.000 1.165 405 Y CA 1.957 59.652 58.100 -0.675 0.000 1.148 405 Y CB -0.574 37.318 38.460 -0.947 0.000 0.972 405 Y HN 0.744 nan 8.280 nan 0.000 0.504 406 G N -0.491 108.232 108.800 -0.129 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 -0.112 174.778 174.900 -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 -0.854 119.318 120.200 -0.046 0.000 2.472 407 E HA 0.152 4.496 4.350 -0.011 0.000 0.196 407 E C 0.408 176.989 176.600 -0.030 0.000 1.033 407 E CA 0.297 56.668 56.400 -0.047 0.000 0.886 407 E CB 0.199 29.873 29.700 -0.044 0.000 0.944 407 E HN 0.462 nan 8.360 nan 0.000 0.492 408 D N 0.674 121.063 120.400 -0.018 0.000 2.317 408 D HA 0.028 4.661 4.640 -0.011 0.000 0.252 408 D C -1.493 174.819 176.300 0.021 0.000 1.174 408 D CA -2.155 51.844 54.000 -0.002 0.000 0.866 408 D CB 1.365 42.158 40.800 -0.011 0.000 1.127 408 D HN -0.071 nan 8.370 nan 0.000 0.467 409 P HA -0.144 nan 4.420 nan 0.000 0.228 409 P C 0.279 177.488 177.300 -0.151 0.000 1.151 409 P CA 0.981 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 -0.842 118.229 119.070 0.001 0.000 2.520 410 H HA 0.248 4.798 4.556 -0.011 0.000 0.284 410 H C 1.221 176.321 175.328 -0.380 0.000 1.037 410 H CA 0.601 56.607 56.048 -0.070 0.000 1.168 410 H CB -0.068 29.690 29.762 -0.007 0.000 1.497 410 H HN 0.153 nan 8.280 nan 0.000 0.547 411 G N 1.756 110.348 108.800 -0.347 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 0.787 175.502 174.900 -0.309 0.000 1.036 411 G CA 0.407 45.152 45.100 -0.591 0.000 0.887 411 G HN 0.451 nan 8.290 nan 0.000 0.505 412 L N -0.072 121.062 121.223 -0.148 0.000 2.693 412 L HA 0.208 4.542 4.340 -0.011 0.000 0.235 412 L C 1.367 178.190 176.870 -0.078 0.000 1.127 412 L CA -0.064 54.736 54.840 -0.066 0.000 0.914 412 L CB 0.248 42.298 42.059 -0.014 0.000 1.193 412 L HN 0.236 nan 8.230 nan 0.000 0.502 413 S N 1.836 117.464 115.700 -0.120 0.000 2.572 413 S HA 0.150 4.613 4.470 -0.011 0.000 0.279 413 S C -2.031 172.496 174.600 -0.121 0.000 1.341 413 S CA -0.822 57.315 58.200 -0.105 0.000 1.043 413 S CB 0.331 63.461 63.200 -0.116 0.000 0.887 413 S HN 0.085 nan 8.310 nan 0.000 0.516 414 P HA 0.123 nan 4.420 nan 0.000 0.265 414 P C -0.742 176.486 177.300 -0.120 0.000 1.193 414 P CA 0.183 63.242 63.100 -0.069 0.000 0.765 414 P CB 0.422 32.103 31.700 -0.032 0.000 0.823 415 R N 1.206 121.615 120.500 -0.152 0.000 2.744 415 R HA 0.702 5.036 4.340 -0.011 0.000 0.279 415 R C -0.360 175.897 176.300 -0.070 0.000 0.977 415 R CA -0.675 55.258 56.100 -0.279 0.000 0.906 415 R CB 2.255 32.004 30.300 -0.918 0.000 1.197 415 R HN 0.502 nan 8.270 nan 0.000 0.463 416 T N -1.490 113.103 114.554 0.064 0.000 3.011 416 T HA 0.279 4.622 4.350 -0.011 0.000 0.303 416 T C -0.417 174.511 174.700 0.380 0.000 0.997 416 T CA -1.095 61.156 62.100 0.252 0.000 1.007 416 T CB 1.429 70.396 68.868 0.165 0.000 1.017 416 T HN 0.462 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 0.403 4.747 4.350 -0.011 0.000 0.263 417 E C 0.623 177.332 176.600 0.181 0.000 0.992 417 E CA 0.584 57.142 56.400 0.264 0.000 0.938 417 E CB 0.189 29.852 29.700 -0.061 0.000 0.933 417 E HN 1.229 nan 8.360 nan 0.000 0.453 418 G N 2.249 111.069 108.800 0.033 0.000 2.492 418 G HA2 0.150 4.103 3.960 -0.011 0.000 0.283 418 G HA3 0.150 4.103 3.960 -0.011 0.000 0.283 418 G C -1.233 173.275 174.900 -0.654 0.000 1.274 418 G CA -0.669 44.134 45.100 -0.496 0.000 1.215 418 G HN 0.428 nan 8.290 nan 0.000 0.598 419 E N 1.741 121.251 120.200 -1.150 0.000 2.349 419 E HA 0.526 4.869 4.350 -0.011 0.000 0.290 419 E C -0.852 175.372 176.600 -0.626 0.000 0.901 419 E CA -0.972 55.127 56.400 -0.502 0.000 0.800 419 E CB 0.575 30.274 29.700 -0.002 0.000 1.303 419 E HN 0.426 nan 8.360 nan 0.000 0.397 420 W N 4.329 125.710 121.300 0.135 0.000 1.689 420 W HA 0.402 5.056 4.660 -0.011 0.000 0.294 420 W C -0.192 176.390 176.519 0.104 0.000 0.824 420 W CA -0.752 56.663 57.345 0.116 0.000 2.398 420 W CB 0.778 30.285 29.460 0.079 0.000 2.375 420 W HN 0.331 nan 8.180 nan 0.000 0.478 421 S N -0.130 115.714 115.700 0.240 0.000 2.652 421 S HA 0.374 4.838 4.470 -0.011 0.000 0.267 421 S C 0.137 174.830 174.600 0.155 0.000 1.201 421 S CA -0.259 57.982 58.200 0.070 0.000 0.996 421 S CB 0.460 63.622 63.200 -0.063 0.000 1.054 421 S HN 0.258 nan 8.310 nan 0.000 0.561 422 F N 1.442 121.503 119.950 0.185 0.000 2.861 422 F HA -0.219 4.302 4.527 -0.009 0.000 0.230 422 F C 0.614 176.494 175.800 0.133 0.000 1.020 422 F CA 0.277 58.373 58.000 0.161 0.000 0.852 422 F CB -2.241 36.870 39.000 0.186 0.000 0.724 422 F HN 0.547 nan 8.300 nan 0.000 0.843 423 N N -2.228 116.587 118.700 0.190 0.000 2.714 423 N HA -0.237 4.497 4.740 -0.011 0.000 0.253 423 N C 1.135 176.766 175.510 0.201 0.000 1.024 423 N CA 0.776 53.929 53.050 0.170 0.000 0.726 423 N CB -0.945 37.625 38.487 0.138 0.000 0.908 423 N HN 0.694 nan 8.380 nan 0.000 0.542 424 A N 0.135 123.109 122.820 0.256 0.000 1.968 424 A HA -0.113 4.200 4.320 -0.011 0.000 0.217 424 A C 1.939 179.704 177.584 0.301 0.000 1.169 424 A CA 1.479 53.683 52.037 0.279 0.000 0.638 424 A CB -0.062 19.134 19.000 0.327 0.000 0.812 424 A HN 0.518 nan 8.150 nan 0.000 0.446 425 E N 0.347 120.720 120.200 0.289 0.000 2.274 425 E HA -0.116 4.228 4.350 -0.011 0.000 0.194 425 E C 1.178 177.864 176.600 0.144 0.000 0.996 425 E CA 1.176 57.702 56.400 0.210 0.000 0.840 425 E CB -0.068 29.704 29.700 0.120 0.000 0.772 425 E HN 0.747 nan 8.360 nan 0.000 0.491 426 E N 0.392 120.670 120.200 0.129 0.000 2.463 426 E HA 0.077 4.420 4.350 -0.011 0.000 0.193 426 E C -0.248 176.406 176.600 0.090 0.000 1.041 426 E CA 0.040 56.496 56.400 0.093 0.000 0.879 426 E CB 0.603 30.349 29.700 0.078 0.000 0.997 426 E HN 0.008 nan 8.360 nan 0.000 0.478 427 T N 1.394 116.013 114.554 0.109 0.000 2.882 427 T HA 0.169 4.513 4.350 -0.011 0.000 0.287 427 T C 0.021 174.770 174.700 0.082 0.000 0.992 427 T CA -0.545 61.606 62.100 0.085 0.000 1.076 427 T CB 1.296 70.213 68.868 0.081 0.000 0.961 427 T HN -0.084 nan 8.240 nan 0.000 0.490 428 E N 1.850 122.085 120.200 0.057 0.000 2.324 428 E HA 0.234 4.577 4.350 -0.011 0.000 0.271 428 E C -0.559 176.081 176.600 0.067 0.000 1.028 428 E CA -0.032 56.403 56.400 0.058 0.000 0.890 428 E CB 0.429 30.152 29.700 0.039 0.000 1.004 428 E HN 0.291 nan 8.360 nan 0.000 0.431 429 V N 3.263 123.234 119.914 0.094 0.000 2.498 429 V HA 0.439 4.553 4.120 -0.011 0.000 0.279 429 V C 0.467 176.625 176.094 0.105 0.000 1.048 429 V CA -0.631 61.744 62.300 0.125 0.000 0.967 429 V CB 1.181 33.097 31.823 0.156 0.000 0.988 429 V HN 0.786 nan 8.190 nan 0.000 0.473 430 A N 3.242 126.131 122.820 0.116 0.000 2.322 430 A HA 0.464 4.777 4.320 -0.011 0.000 0.269 430 A C -0.002 177.652 177.584 0.117 0.000 1.094 430 A CA -0.362 51.733 52.037 0.097 0.000 0.807 430 A CB 0.427 19.477 19.000 0.083 0.000 1.047 430 A HN 0.818 nan 8.150 nan 0.000 0.487 431 D N 1.042 121.496 120.400 0.089 0.000 2.456 431 D HA 0.474 5.107 4.640 -0.011 0.000 0.219 431 D C -0.267 176.088 176.300 0.092 0.000 1.126 431 D CA 0.340 54.393 54.000 0.089 0.000 0.890 431 D CB 0.088 40.928 40.800 0.067 0.000 1.025 431 D HN 0.575 nan 8.370 nan 0.000 0.511 432 S N 1.727 117.500 115.700 0.122 0.000 2.656 432 S HA 0.295 4.759 4.470 -0.011 0.000 0.273 432 S C 0.901 175.609 174.600 0.180 0.000 1.168 432 S CA -0.809 57.471 58.200 0.134 0.000 0.817 432 S CB 1.453 64.737 63.200 0.141 0.000 1.146 432 S HN 0.081 nan 8.310 nan 0.000 0.475 433 E N 1.356 121.685 120.200 0.214 0.000 2.147 433 E HA -0.207 4.137 4.350 -0.011 0.000 0.199 433 E C 1.861 178.716 176.600 0.426 0.000 1.005 433 E CA 2.200 58.797 56.400 0.329 0.000 0.810 433 E CB -0.211 29.701 29.700 0.353 0.000 0.736 433 E HN 0.691 nan 8.360 nan 0.000 0.460 434 E N -0.002 120.446 120.200 0.414 0.000 2.085 434 E HA -0.192 4.151 4.350 -0.011 0.000 0.194 434 E C 1.104 177.737 176.600 0.054 0.000 0.994 434 E CA 0.990 57.505 56.400 0.191 0.000 0.801 434 E CB -0.362 29.489 29.700 0.252 0.000 0.743 434 E HN 0.262 nan 8.360 nan 0.000 0.453 435 N N 1.198 119.972 118.700 0.123 0.000 2.314 435 N HA 0.015 4.749 4.740 -0.011 0.000 0.200 435 N C -0.015 175.525 175.510 0.051 0.000 1.135 435 N CA 0.075 53.166 53.050 0.069 0.000 0.835 435 N CB 0.360 38.931 38.487 0.138 0.000 0.989 435 N HN 0.155 nan 8.380 nan 0.000 0.478 436 K N 1.539 121.979 120.400 0.066 0.000 2.412 436 K HA 0.015 4.329 4.320 -0.011 0.000 0.281 436 K C 0.259 176.870 176.600 0.018 0.000 1.027 436 K CA 0.062 56.387 56.287 0.064 0.000 0.989 436 K CB 0.225 32.791 32.500 0.111 0.000 0.935 436 K HN 0.073 nan 8.250 nan 0.000 0.475 437 N N 1.746 120.459 118.700 0.021 0.000 2.741 437 N HA -0.158 4.575 4.740 -0.011 0.000 0.250 437 N C -1.222 174.275 175.510 -0.022 0.000 1.115 437 N CA 1.368 54.420 53.050 0.003 0.000 0.724 437 N CB -1.344 37.141 38.487 -0.003 0.000 1.090 437 N HN 0.585 nan 8.380 nan 0.000 0.558 438 T N 1.434 115.978 114.554 -0.016 0.000 2.794 438 T HA 0.220 4.563 4.350 -0.011 0.000 0.280 438 T C 0.215 174.925 174.700 0.017 0.000 0.987 438 T CA -0.860 61.221 62.100 -0.031 0.000 0.993 438 T CB 1.861 70.690 68.868 -0.066 0.000 0.939 438 T HN 0.105 nan 8.240 nan 0.000 0.449 439 D N 2.893 123.310 120.400 0.028 0.000 2.368 439 D HA -0.024 4.610 4.640 -0.011 0.000 0.240 439 D C 1.067 177.429 176.300 0.103 0.000 1.169 439 D CA -0.533 53.503 54.000 0.062 0.000 0.906 439 D CB 1.001 41.840 40.800 0.067 0.000 1.187 439 D HN 0.320 nan 8.370 nan 0.000 0.435 440 Q N 0.358 120.220 119.800 0.103 0.000 2.118 440 Q HA -0.309 4.024 4.340 -0.011 0.000 0.211 440 Q C 1.699 177.827 176.000 0.212 0.000 0.998 440 Q CA 1.941 57.821 55.803 0.128 0.000 0.872 440 Q CB -0.439 28.348 28.738 0.082 0.000 0.925 440 Q HN 0.656 nan 8.270 nan 0.000 0.414 441 H N -0.302 118.817 119.070 0.081 0.000 2.326 441 H HA -0.075 4.474 4.556 -0.010 0.000 0.301 441 H C 1.917 177.483 175.328 0.396 0.000 1.081 441 H CA 1.573 57.691 56.048 0.116 0.000 1.334 441 H CB -0.315 29.451 29.762 0.006 0.000 1.385 441 H HN 0.180 nan 8.280 nan 0.000 0.504 442 L N 0.079 121.491 121.223 0.316 0.000 2.056 442 L HA 0.008 4.341 4.340 -0.011 0.000 0.207 442 L C 2.397 179.368 176.870 0.168 0.000 1.078 442 L CA 1.516 56.482 54.840 0.209 0.000 0.749 442 L CB -0.830 41.258 42.059 0.048 0.000 0.901 442 L HN 0.334 nan 8.230 nan 0.000 0.433 443 A N -1.743 121.182 122.820 0.175 0.000 2.225 443 A HA -0.141 4.173 4.320 -0.011 0.000 0.215 443 A C 1.900 179.712 177.584 0.380 0.000 1.164 443 A CA 1.739 53.908 52.037 0.220 0.000 0.710 443 A CB -0.968 18.142 19.000 0.183 0.000 0.780 443 A HN 0.553 nan 8.150 nan 0.000 0.473 444 T N -4.183 110.617 114.554 0.410 0.000 3.040 444 T HA 0.305 4.648 4.350 -0.011 0.000 0.266 444 T C 0.645 175.616 174.700 0.453 0.000 1.005 444 T CA 0.430 62.792 62.100 0.437 0.000 0.906 444 T CB -0.125 68.992 68.868 0.415 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 0.330 0.000 2.565 445 S HA 0.309 4.773 4.470 -0.011 0.000 0.276 445 S C 1.192 175.886 174.600 0.157 0.000 1.326 445 S CA -0.691 57.375 58.200 -0.224 0.000 1.045 445 S CB 0.689 63.624 63.200 -0.442 0.000 0.918 445 S HN 0.420 nan 8.310 nan 0.000 0.505 446 R N 2.447 122.916 120.500 -0.051 0.000 2.276 446 R HA 0.099 4.433 4.340 -0.011 0.000 0.196 446 R C 0.078 176.460 176.300 0.136 0.000 0.961 446 R CA 0.261 56.322 56.100 -0.065 0.000 1.024 446 R CB 0.307 30.368 30.300 -0.399 0.000 0.940 446 R HN 0.704 nan 8.270 nan 0.000 0.480 447 W N 1.879 123.176 121.300 -0.005 0.000 2.336 447 W HA 0.391 5.044 4.660 -0.012 0.000 0.315 447 W C -1.073 175.514 176.519 0.114 0.000 1.016 447 W CA -0.704 56.770 57.345 0.215 0.000 1.318 447 W CB 0.737 30.344 29.460 0.246 0.000 1.247 447 W HN -0.141 nan 8.180 nan 0.000 0.414 448 R N 3.994 124.397 120.500 -0.162 0.000 2.740 448 R HA 0.341 4.674 4.340 -0.011 0.000 0.273 448 R C -0.869 174.711 176.300 -1.200 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 -1.277 0.000 1.223 448 R HN 0.432 nan 8.270 nan 0.000 0.466 449 K N 1.255 120.620 120.400 -1.726 0.000 2.203 449 K HA 0.589 4.903 4.320 -0.011 0.000 0.251 449 K C -1.224 174.341 176.600 -1.724 0.000 0.944 449 K CA -0.551 54.623 56.287 -1.854 0.000 0.829 449 K CB 1.351 32.392 32.500 -2.432 0.000 1.125 449 K HN 0.248 nan 8.250 nan 0.000 0.430 450 F N 0.541 120.087 119.950 -0.673 0.000 2.569 450 F HA 0.255 4.776 4.527 -0.009 0.000 0.312 450 F C 0.164 175.836 175.800 -0.213 0.000 1.109 450 F CA -0.867 56.855 58.000 -0.463 0.000 0.919 450 F CB 2.335 41.133 39.000 -0.336 0.000 1.211 450 F HN 0.730 nan 8.300 nan 0.000 0.446 451 S N 1.310 117.032 115.700 0.037 0.000 2.603 451 S HA 0.341 4.805 4.470 -0.011 0.000 0.268 451 S C 1.167 175.885 174.600 0.196 0.000 1.317 451 S CA -0.612 57.639 58.200 0.086 0.000 1.012 451 S CB 1.574 64.813 63.200 0.064 0.000 0.926 451 S HN 0.766 nan 8.310 nan 0.000 0.539 452 R N 0.703 121.281 120.500 0.130 0.000 2.081 452 R HA -0.042 4.292 4.340 -0.011 0.000 0.235 452 R C 2.091 178.454 176.300 0.105 0.000 1.131 452 R CA 1.686 57.856 56.100 0.116 0.000 0.960 452 R CB -0.708 29.645 30.300 0.090 0.000 0.856 452 R HN 0.800 nan 8.270 nan 0.000 0.436 453 E N -0.736 119.526 120.200 0.105 0.000 2.110 453 E HA -0.200 4.143 4.350 -0.011 0.000 0.193 453 E C 1.537 178.195 176.600 0.095 0.000 0.988 453 E CA 1.084 57.532 56.400 0.079 0.000 0.804 453 E CB -0.341 29.404 29.700 0.075 0.000 0.745 453 E HN 0.455 nan 8.360 nan 0.000 0.458 454 W N 1.223 122.526 121.300 0.005 0.000 2.378 454 W HA -0.106 4.547 4.660 -0.011 0.000 0.313 454 W C 2.046 178.568 176.519 0.005 0.000 1.197 454 W CA 1.448 58.800 57.345 0.012 0.000 1.304 454 W CB -0.487 28.993 29.460 0.034 0.000 1.148 454 W HN -0.061 nan 8.180 nan 0.000 0.494 455 I N 0.551 121.173 120.570 0.086 0.000 2.264 455 I HA -0.353 3.810 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 1.849 63.069 61.300 -0.133 0.000 1.382 455 I CB -0.785 37.256 38.000 0.069 0.000 1.060 455 I HN 0.054 nan 8.210 nan 0.000 0.418 456 R N 0.534 120.963 120.500 -0.118 0.000 2.070 456 R HA -0.152 4.182 4.340 -0.011 0.000 0.233 456 R C 2.255 178.457 176.300 -0.164 0.000 1.137 456 R CA 2.239 58.274 56.100 -0.109 0.000 0.945 456 R CB -0.296 29.974 30.300 -0.050 0.000 0.845 456 R HN 0.248 nan 8.270 nan 0.000 0.430 457 T N 0.615 115.054 114.554 -0.192 0.000 2.612 457 T HA -0.019 4.324 4.350 -0.011 0.000 0.251 457 T C 1.827 176.340 174.700 -0.311 0.000 1.090 457 T CA 1.259 63.237 62.100 -0.203 0.000 1.198 457 T CB -0.600 68.178 68.868 -0.151 0.000 0.878 457 T HN 0.460 nan 8.240 nan 0.000 0.401 458 A N 1.804 124.305 122.820 -0.532 0.000 1.859 458 A HA -0.146 4.167 4.320 -0.011 0.000 0.217 458 A C 2.154 179.401 177.584 -0.561 0.000 1.198 458 A CA 1.564 53.228 52.037 -0.622 0.000 0.629 458 A CB -0.427 17.892 19.000 -1.136 0.000 0.830 458 A HN 0.245 nan 8.150 nan 0.000 0.446 459 K N 0.096 120.055 120.400 -0.736 0.000 2.487 459 K HA 0.115 4.429 4.320 -0.011 0.000 0.192 459 K C 0.348 176.793 176.600 -0.258 0.000 1.027 459 K CA 0.718 56.729 56.287 -0.460 0.000 1.054 459 K CB -0.108 32.099 32.500 -0.488 0.000 0.824 459 K HN 0.450 nan 8.250 nan 0.000 0.510 460 S N 2.202 117.761 115.700 -0.236 0.000 3.614 460 S HA -0.144 4.319 4.470 -0.011 0.000 0.360 460 S C -0.636 173.895 174.600 -0.116 0.000 1.023 460 S CA 0.880 58.991 58.200 -0.147 0.000 1.114 460 S CB -1.275 61.857 63.200 -0.113 0.000 0.907 460 S HN 0.453 nan 8.310 nan 0.000 0.470 461 D N -0.236 120.089 120.400 -0.125 0.000 2.705 461 D HA -0.134 4.500 4.640 -0.011 0.000 0.240 461 D C -0.108 176.151 176.300 -0.067 0.000 1.137 461 D CA 1.582 55.531 54.000 -0.085 0.000 0.677 461 D CB -1.231 39.528 40.800 -0.069 0.000 1.049 461 D HN 0.643 nan 8.370 nan 0.000 0.427 462 S N -0.293 115.363 115.700 -0.072 0.000 2.521 462 S HA 0.628 5.092 4.470 -0.011 0.000 0.295 462 S C 0.656 175.248 174.600 -0.013 0.000 1.098 462 S CA -0.804 57.378 58.200 -0.030 0.000 0.999 462 S CB 1.207 64.396 63.200 -0.019 0.000 1.034 462 S HN 0.232 nan 8.310 nan 0.000 0.483 463 L N 2.887 124.123 121.223 0.021 0.000 2.700 463 L HA 0.336 4.670 4.340 -0.011 0.000 0.234 463 L C 0.411 177.323 176.870 0.070 0.000 1.156 463 L CA -0.023 54.843 54.840 0.043 0.000 0.946 463 L CB 0.003 42.089 42.059 0.044 0.000 1.216 463 L HN 0.584 nan 8.230 nan 0.000 0.493 464 D N 1.720 122.172 120.400 0.087 0.000 2.845 464 D HA 0.156 4.790 4.640 -0.011 0.000 0.235 464 D C 0.189 176.526 176.300 0.062 0.000 1.158 464 D CA -0.043 54.027 54.000 0.117 0.000 0.990 464 D CB -0.172 40.745 40.800 0.195 0.000 1.094 464 D HN 0.163 nan 8.370 nan 0.000 0.486 465 I N 1.136 121.739 120.570 0.054 0.000 2.352 465 I HA 0.165 4.329 4.170 -0.011 0.000 0.290 465 I C 0.395 176.572 176.117 0.100 0.000 1.036 465 I CA -0.291 61.028 61.300 0.032 0.000 1.336 465 I CB 1.126 39.045 38.000 -0.134 0.000 1.407 465 I HN 0.070 nan 8.210 nan 0.000 0.497 466 S N 6.050 121.831 115.700 0.134 0.000 2.536 466 S HA 0.521 4.985 4.470 -0.011 0.000 0.271 466 S C -0.703 174.032 174.600 0.225 0.000 1.134 466 S CA -0.666 57.567 58.200 0.055 0.000 0.897 466 S CB 1.012 64.182 63.200 -0.050 0.000 1.094 466 S HN 0.688 nan 8.310 nan 0.000 0.473 467 W N 4.289 125.610 121.300 0.036 0.000 1.780 467 W HA 0.554 5.209 4.660 -0.009 0.000 0.256 467 W C -1.386 175.167 176.519 0.056 0.000 0.844 467 W CA -0.623 56.757 57.345 0.058 0.000 1.227 467 W CB 0.009 29.526 29.460 0.095 0.000 1.006 467 W HN 0.365 nan 8.180 nan 0.000 0.493 468 L N 2.227 123.243 121.223 -0.344 0.000 2.341 468 L HA 0.466 4.800 4.340 -0.011 0.000 0.278 468 L C 1.189 178.003 176.870 -0.094 0.000 1.005 468 L CA -0.757 53.990 54.840 -0.156 0.000 0.818 468 L CB 2.242 44.187 42.059 -0.191 0.000 1.259 468 L HN -0.111 nan 8.230 nan 0.000 0.418 469 K N 0.745 121.131 120.400 -0.023 0.000 2.076 469 K HA -0.058 4.256 4.320 -0.011 0.000 0.204 469 K C 0.001 176.594 176.600 -0.013 0.000 1.051 469 K CA 0.891 57.169 56.287 -0.014 0.000 0.949 469 K CB 0.037 32.543 32.500 0.010 0.000 0.726 469 K HN 0.915 nan 8.250 nan 0.000 0.443 470 D N 1.317 121.719 120.400 0.004 0.000 2.735 470 D HA -0.169 4.464 4.640 -0.011 0.000 0.235 470 D C -0.962 175.345 176.300 0.013 0.000 1.175 470 D CA 0.581 54.591 54.000 0.016 0.000 0.683 470 D CB -1.108 39.694 40.800 0.004 0.000 1.008 470 D HN 0.012 nan 8.370 nan 0.000 0.416 471 K N 0.900 121.310 120.400 0.018 0.000 2.436 471 K HA 0.122 4.435 4.320 -0.011 0.000 0.275 471 K C 0.260 176.869 176.600 0.015 0.000 0.999 471 K CA -0.044 56.251 56.287 0.013 0.000 0.980 471 K CB 0.459 32.969 32.500 0.017 0.000 0.919 471 K HN 0.202 nan 8.250 nan 0.000 0.484 472 D N 1.131 121.536 120.400 0.008 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 0.009 0.000 1.137 472 D CA 0.177 54.182 54.000 0.009 0.000 0.946 472 D CB 0.523 41.324 40.800 0.002 0.000 1.022 472 D HN 0.293 nan 8.370 nan 0.000 0.518 473 S N 1.428 117.136 115.700 0.014 0.000 2.570 473 S HA 0.601 5.064 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 -0.799 57.409 58.200 0.013 0.000 0.837 473 S CB 1.257 64.465 63.200 0.014 0.000 1.124 473 S HN 0.202 nan 8.310 nan 0.000 0.465 474 I N 3.275 123.853 120.570 0.014 0.000 2.355 474 I HA 0.616 4.779 4.170 -0.011 0.000 0.288 474 I C -1.050 175.076 176.117 0.015 0.000 0.999 474 I CA -0.081 61.228 61.300 0.015 0.000 1.163 474 I CB 1.083 39.091 38.000 0.013 0.000 1.316 474 I HN 0.611 nan 8.210 nan 0.000 0.454 475 D N 5.952 126.363 120.400 0.017 0.000 2.732 475 D HA 0.566 5.200 4.640 -0.011 0.000 0.229 475 D C -0.866 175.443 176.300 0.016 0.000 1.152 475 D CA -0.454 53.556 54.000 0.017 0.000 0.854 475 D CB 2.676 43.488 40.800 0.020 0.000 1.590 475 D HN 0.626 nan 8.370 nan 0.000 0.468 476 A N 1.784 124.612 122.820 0.013 0.000 2.483 476 A HA 0.232 4.546 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 -0.041 52.002 52.037 0.010 0.000 0.770 476 A CB 0.148 19.152 19.000 0.007 0.000 1.008 476 A HN 0.499 nan 8.150 nan 0.000 0.497 477 D N 1.259 121.663 120.400 0.007 0.000 2.638 477 D HA 0.344 4.978 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 0.033 40.837 40.800 0.008 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 -0.004 0.000 2.596 478 S HA 0.662 5.126 4.470 -0.011 0.000 0.318 478 S C -0.700 173.887 174.600 -0.021 0.000 1.097 478 S CA -0.640 57.549 58.200 -0.018 0.000 1.080 478 S CB 0.786 63.976 63.200 -0.017 0.000 0.991 478 S HN 0.278 nan 8.310 nan 0.000 0.471 479 L N 3.198 124.397 121.223 -0.041 0.000 2.540 479 L HA 0.622 4.956 4.340 -0.011 0.000 0.256 479 L C -2.619 174.186 176.870 -0.108 0.000 1.001 479 L CA -1.622 53.188 54.840 -0.051 0.000 0.843 479 L CB 0.744 42.797 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 -0.467 62.471 63.100 -0.269 0.000 0.801 480 P CB 0.852 32.174 31.700 -0.630 0.000 1.006 481 E N 1.618 121.755 120.200 -0.106 0.000 2.072 481 E HA -0.113 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 1.871 58.245 56.400 -0.044 0.000 0.801 481 E CB -1.860 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 -0.099 nan 4.420 nan 0.000 0.221 482 P C 1.087 178.444 177.300 0.095 0.000 1.150 482 P CA 1.194 64.337 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 -0.347 120.113 120.400 0.099 0.000 2.117 483 D HA -0.130 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 1.363 55.434 54.000 0.118 0.000 0.828 483 D CB -0.571 40.302 40.800 0.122 0.000 0.967 483 D HN 0.016 nan 8.370 nan 0.000 0.464 484 V N -0.485 119.460 119.914 0.053 0.000 2.427 484 V HA -0.154 3.959 4.120 -0.011 0.000 0.248 484 V C 2.607 178.742 176.094 0.068 0.000 1.051 484 V CA 1.183 63.516 62.300 0.056 0.000 1.048 484 V CB -0.899 30.949 31.823 0.041 0.000 0.666 484 V HN 0.191 nan 8.190 nan 0.000 0.456 485 L N 1.095 122.355 121.223 0.062 0.000 2.017 485 L HA 0.079 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 0.064 0.000 0.745 485 L CB -0.694 41.397 42.059 0.054 0.000 0.894 485 L HN 0.480 nan 8.230 nan 0.000 0.432 486 A N -0.552 122.310 122.820 0.069 0.000 2.279 486 A HA 0.555 4.869 4.320 -0.011 0.000 0.306 486 A C 1.061 178.688 177.584 0.071 0.000 1.300 486 A CA 0.228 52.306 52.037 0.068 0.000 0.925 486 A CB 0.930 19.968 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 4.203 4.320 -0.011 0.000 0.217 487 A C 1.944 179.567 177.584 0.065 0.000 1.181 487 A CA 1.630 53.713 52.037 0.077 0.000 0.623 487 A CB -0.325 18.727 19.000 0.088 0.000 0.818 487 A HN 0.858 nan 8.150 nan 0.000 0.443 488 E N 0.652 120.888 120.200 0.060 0.000 2.106 488 E HA -0.102 4.241 4.350 -0.011 0.000 0.192 488 E C 1.969 178.597 176.600 0.047 0.000 0.984 488 E CA 1.321 57.751 56.400 0.049 0.000 0.806 488 E CB -0.911 28.816 29.700 0.045 0.000 0.750 488 E HN 0.483 nan 8.360 nan 0.000 0.458 489 A N 1.649 124.501 122.820 0.053 0.000 1.972 489 A HA -0.100 4.214 4.320 -0.011 0.000 0.219 489 A C 2.412 180.031 177.584 0.059 0.000 1.169 489 A CA 1.749 53.819 52.037 0.054 0.000 0.635 489 A CB -0.649 18.392 19.000 0.067 0.000 0.810 489 A HN 0.244 nan 8.150 nan 0.000 0.446 490 M N -0.629 119.009 119.600 0.062 0.000 2.108 490 M HA -0.146 4.327 4.480 -0.011 0.000 0.261 490 M C 2.307 178.638 176.300 0.052 0.000 1.066 490 M CA 1.500 56.837 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 0.085 108.910 108.800 0.043 0.000 2.440 491 G HA2 -0.197 3.757 3.960 -0.011 0.000 0.218 491 G HA3 -0.197 3.757 3.960 -0.011 0.000 0.218 491 G C 1.454 176.373 174.900 0.031 0.000 1.154 491 G CA 0.733 45.854 45.100 0.034 0.000 0.767 491 G HN 0.354 nan 8.290 nan 0.000 0.552 492 E N 0.352 120.570 120.200 0.030 0.000 2.072 492 E HA -0.026 4.317 4.350 -0.011 0.000 0.191 492 E C 2.718 179.336 176.600 0.029 0.000 0.985 492 E CA 0.333 56.746 56.400 0.022 0.000 0.801 492 E CB -0.345 29.362 29.700 0.012 0.000 0.750 492 E HN 0.261 nan 8.360 nan 0.000 0.452 493 L N 0.633 121.886 121.223 0.050 0.000 2.046 493 L HA -0.113 4.221 4.340 -0.011 0.000 0.208 493 L C 2.557 179.470 176.870 0.072 0.000 1.077 493 L CA 1.000 55.887 54.840 0.078 0.000 0.747 493 L CB -1.307 40.837 42.059 0.141 0.000 0.896 493 L HN 0.008 nan 8.230 nan 0.000 0.432 494 V N -0.278 119.671 119.914 0.059 0.000 2.407 494 V HA -0.261 3.853 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 63.683 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 0.393 120.212 119.800 0.031 0.000 2.135 495 Q HA -0.227 4.107 4.340 -0.011 0.000 0.204 495 Q C 2.293 178.307 176.000 0.023 0.000 0.981 495 Q CA 2.223 58.039 55.803 0.023 0.000 0.856 495 Q CB -0.301 28.447 28.738 0.016 0.000 0.902 495 Q HN 0.617 nan 8.270 nan 0.000 0.425 496 A N 0.425 123.262 122.820 0.028 0.000 1.933 496 A HA -0.161 4.153 4.320 -0.011 0.000 0.218 496 A C 2.086 179.690 177.584 0.035 0.000 1.175 496 A CA 1.214 53.267 52.037 0.028 0.000 0.628 496 A CB -0.508 18.512 19.000 0.034 0.000 0.814 496 A HN 0.370 nan 8.150 nan 0.000 0.444 497 L N 0.020 121.268 121.223 0.042 0.000 2.083 497 L HA -0.127 4.207 4.340 -0.011 0.000 0.209 497 L C 2.761 179.648 176.870 0.028 0.000 1.083 497 L CA 2.011 56.874 54.840 0.039 0.000 0.752 497 L CB -0.803 41.281 42.059 0.040 0.000 0.899 497 L HN 0.289 nan 8.230 nan 0.000 0.433 498 S N -0.899 114.815 115.700 0.024 0.000 2.359 498 S HA -0.213 4.251 4.470 -0.011 0.000 0.224 498 S C 1.981 176.590 174.600 0.016 0.000 1.035 498 S CA 1.255 59.466 58.200 0.018 0.000 1.018 498 S CB -0.246 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 1.093 121.302 120.200 0.016 0.000 2.106 499 E HA -0.092 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 0.626 57.034 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 1.629 122.864 121.223 0.019 0.000 2.046 500 L HA -0.173 4.161 4.340 -0.011 0.000 0.208 500 L C 1.612 178.492 176.870 0.017 0.000 1.077 500 L CA 1.958 56.810 54.840 0.020 0.000 0.747 500 L CB -0.524 41.552 42.059 0.027 0.000 0.896 500 L HN -0.048 nan 8.230 nan 0.000 0.432 501 D N -0.109 120.301 120.400 0.016 0.000 2.117 501 D HA -0.158 4.476 4.640 -0.011 0.000 0.197 501 D C 2.220 178.526 176.300 0.011 0.000 0.987 501 D CA 1.497 55.505 54.000 0.013 0.000 0.829 501 D CB -0.229 40.579 40.800 0.013 0.000 0.961 501 D HN 0.505 nan 8.370 nan 0.000 0.460 502 A N 0.707 123.534 122.820 0.010 0.000 1.902 502 A HA -0.146 4.167 4.320 -0.011 0.000 0.217 502 A C 2.163 179.752 177.584 0.008 0.000 1.181 502 A CA 1.061 53.103 52.037 0.008 0.000 0.623 502 A CB -0.728 18.277 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 -0.096 4.238 4.340 -0.011 0.000 0.208 503 L C 2.466 179.341 176.870 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 41.600 42.059 0.010 0.000 0.904 503 L HN 0.437 nan 8.230 nan 0.000 0.435 504 M N -1.176 118.429 119.600 0.009 0.000 2.159 504 M HA -0.207 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 1.601 56.906 55.300 0.008 0.000 1.110 504 M CB -0.364 32.241 32.600 0.009 0.000 1.374 504 M HN 0.192 nan 8.290 nan 0.000 0.411 505 R N 0.266 120.770 120.500 0.007 0.000 2.081 505 R HA -0.145 4.189 4.340 -0.011 0.000 0.235 505 R C 2.015 178.318 176.300 0.005 0.000 1.131 505 R CA 1.497 57.600 56.100 0.006 0.000 0.960 505 R CB -0.373 29.931 30.300 0.005 0.000 0.856 505 R HN 0.512 nan 8.270 nan 0.000 0.436 506 E N 0.648 120.851 120.200 0.005 0.000 2.077 506 E HA -0.164 4.180 4.350 -0.011 0.000 0.193 506 E C 2.086 178.689 176.600 0.004 0.000 0.989 506 E CA 0.973 57.376 56.400 0.004 0.000 0.800 506 E CB -0.076 29.627 29.700 0.005 0.000 0.746 506 E HN 0.299 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 4.264 4.340 -0.011 0.000 0.208 507 L C 1.675 178.547 176.870 0.004 0.000 1.077 507 L CA 1.010 55.852 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 0.394 nan 8.230 nan 0.000 0.432 508 G N -0.189 108.613 108.800 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 -0.030 45.072 45.100 0.004 0.000 0.728 508 G HN 0.576 nan 8.290 nan 0.000 0.508 509 A N 0.204 123.026 122.820 0.004 0.000 2.483 509 A HA 0.662 4.975 4.320 -0.011 0.000 0.238 509 A C 1.231 178.817 177.584 0.003 0.000 1.070 509 A CA 0.963 53.002 52.037 0.004 0.000 0.770 509 A CB 0.246 19.249 19.000 0.005 0.000 1.008 509 A HN 2.071 nan 8.150 nan 0.000 0.497 510 S N 1.051 116.753 115.700 0.002 0.000 2.614 510 S HA 0.350 4.814 4.470 -0.011 0.000 0.265 510 S C -0.212 174.389 174.600 0.001 0.000 1.303 510 S CA -0.173 58.028 58.200 0.001 0.000 1.000 510 S CB 0.744 63.945 63.200 0.000 0.000 0.935 510 S HN 0.738 nan 8.310 nan 0.000 0.551 511 D N 0.320 120.721 120.400 0.001 0.000 2.483 511 D HA 0.294 4.928 4.640 -0.011 0.000 0.220 511 D C -0.299 176.001 176.300 -0.001 0.000 1.173 511 D CA -0.248 53.752 54.000 0.000 0.000 0.964 511 D CB -0.457 40.344 40.800 0.001 0.000 1.046 511 D HN 0.660 nan 8.370 nan 0.000 0.517 512 E N -0.077 120.121 120.200 -0.002 0.000 2.367 512 E HA 0.537 4.880 4.350 -0.011 0.000 0.273 512 E C 0.254 176.850 176.600 -0.006 0.000 0.903 512 E CA -1.236 55.162 56.400 -0.004 0.000 0.764 512 E CB 2.007 31.705 29.700 -0.004 0.000 1.252 512 E HN 0.233 nan 8.360 nan 0.000 0.446 513 A N 1.837 124.652 122.820 -0.009 0.000 1.902 513 A HA -0.202 4.112 4.320 -0.011 0.000 0.217 513 A C 1.367 178.943 177.584 -0.013 0.000 1.181 513 A CA 1.743 53.772 52.037 -0.012 0.000 0.623 513 A CB -0.350 18.640 19.000 -0.016 0.000 0.818 513 A HN 0.600 nan 8.150 nan 0.000 0.443 514 D N 0.107 120.501 120.400 -0.011 0.000 2.117 514 D HA -0.123 4.510 4.640 -0.011 0.000 0.197 514 D C 1.909 178.205 176.300 -0.006 0.000 0.987 514 D CA 0.816 54.810 54.000 -0.010 0.000 0.829 514 D CB -0.239 40.556 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 -0.138 4.195 4.340 -0.011 0.000 0.208 515 L C 2.341 179.212 176.870 0.001 0.000 1.077 515 L CA 1.290 56.129 54.840 -0.000 0.000 0.747 515 L CB -1.199 40.861 42.059 0.001 0.000 0.896 515 L HN 0.149 nan 8.230 nan 0.000 0.432 516 Q N 0.725 120.523 119.800 -0.002 0.000 2.084 516 Q HA -0.191 4.143 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 1.415 57.217 55.803 -0.001 0.000 0.844 516 Q CB 0.015 28.750 28.738 -0.005 0.000 0.898 516 Q HN 0.436 nan 8.270 nan 0.000 0.426 517 R N -0.135 120.358 120.500 -0.011 0.000 2.081 517 R HA -0.134 4.200 4.340 -0.011 0.000 0.235 517 R C 2.516 178.813 176.300 -0.004 0.000 1.131 517 R CA 1.610 57.700 56.100 -0.018 0.000 0.960 517 R CB -0.139 30.147 30.300 -0.024 0.000 0.856 517 R HN 0.416 nan 8.270 nan 0.000 0.436 518 Q N 0.471 120.271 119.800 0.001 0.000 2.050 518 Q HA -0.132 4.202 4.340 -0.011 0.000 0.202 518 Q C 2.257 178.268 176.000 0.018 0.000 0.980 518 Q CA 1.278 57.087 55.803 0.008 0.000 0.840 518 Q CB -0.116 28.626 28.738 0.007 0.000 0.898 518 Q HN 0.357 nan 8.270 nan 0.000 0.424 519 L N 0.117 121.352 121.223 0.019 0.000 2.056 519 L HA -0.183 4.151 4.340 -0.011 0.000 0.207 519 L C 2.374 179.271 176.870 0.045 0.000 1.078 519 L CA 0.485 55.342 54.840 0.028 0.000 0.749 519 L CB -0.411 41.663 42.059 0.024 0.000 0.901 519 L HN 0.253 nan 8.230 nan 0.000 0.433 520 L N 0.255 121.504 121.223 0.043 0.000 2.131 520 L HA -0.211 4.123 4.340 -0.011 0.000 0.210 520 L C 2.441 179.379 176.870 0.113 0.000 1.092 520 L CA 1.667 56.550 54.840 0.072 0.000 0.759 520 L CB -0.540 41.529 42.059 0.016 0.000 0.903 520 L HN 0.277 nan 8.230 nan 0.000 0.435 521 E N -0.472 119.769 120.200 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 1.852 58.303 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 -0.060 120.187 120.200 0.078 0.000 2.051 522 E HA -0.109 4.234 4.350 -0.011 0.000 0.189 522 E C 2.077 178.718 176.600 0.067 0.000 0.979 522 E CA 0.732 57.169 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 1.162 124.029 122.820 0.079 0.000 1.902 523 A HA -0.184 4.130 4.320 -0.011 0.000 0.217 523 A C 1.998 179.632 177.584 0.083 0.000 1.181 523 A CA 1.092 53.170 52.037 0.068 0.000 0.623 523 A CB -0.730 18.313 19.000 0.072 0.000 0.818 523 A HN 0.325 nan 8.150 nan 0.000 0.443 524 F N 1.230 121.182 119.950 0.004 0.000 2.102 524 F HA -0.030 4.490 4.527 -0.011 0.000 0.298 524 F C 2.284 178.086 175.800 0.005 0.000 1.105 524 F CA 1.617 59.620 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 -0.434 108.365 108.800 -0.002 0.000 2.422 525 G HA2 -0.188 3.765 3.960 -0.011 0.000 0.218 525 G HA3 -0.188 3.765 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 0.650 45.692 45.100 -0.096 0.000 0.769 525 G HN 0.635 nan 8.290 nan 0.000 0.547 526 G N 0.505 109.250 108.800 -0.091 0.000 2.418 526 G HA2 -0.159 3.795 3.960 -0.011 0.000 0.217 526 G HA3 -0.159 3.795 3.960 -0.011 0.000 0.217 526 G C 1.765 176.595 174.900 -0.116 0.000 1.158 526 G CA 1.215 46.270 45.100 -0.076 0.000 0.771 526 G HN 0.323 nan 8.290 nan 0.000 0.545 527 V N 0.744 120.555 119.914 -0.172 0.000 2.407 527 V HA -0.177 3.937 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 2.210 64.406 62.300 -0.174 0.000 1.049 527 V CB -0.435 31.268 31.823 -0.200 0.000 0.662 527 V HN 0.369 nan 8.190 nan 0.000 0.455 528 K N 0.178 120.396 120.400 -0.303 0.000 2.063 528 K HA -0.159 4.154 4.320 -0.011 0.000 0.208 528 K C 1.302 177.822 176.600 -0.133 0.000 1.048 528 K CA 0.954 57.095 56.287 -0.243 0.000 0.928 528 K CB -0.117 32.221 32.500 -0.269 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 -0.052 0.000 0.812 529 E HN 0.000 nan 8.360 nan 0.000 0.440