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 3i4n_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKRTYEX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGRRGT ALGIKKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGEQ DATA SEQUENCE KKAMSSRAGV SQVLNRYTYS STLSHLRRTN TPIGRDGKLA KPRQLHNTHW DATA SEQUENCE GLVCPAETPE GQACGLVKNL SLMSCISVGT DPMPIITFLS EWGMEPLEDY DATA SEQUENCE VPHQSPDATR VFVNGVWHGV HRNPARLMET LRTLRRKGDI NPEVSMIRDI DATA SEQUENCE REKELKIFTD AGRVYRPLFI VEDDESLGHK ELKVRKGHIA KLMATEYQDX DATA SEQUENCE XXXXXXXXEY TWSSLLNEGL VEYIDAEEEE SILIAMQPED LEPAEAXXXX DATA SEQUENCE XXDVDPAKRI RVSHHATTFT HCEIHPSMIL GVAASIIPFP DHNQSPRNTY DATA SEQUENCE QSAMGKQAMG VFLTNYNVRM DTMANILYYP QKPLGTTRAM EYLKFRELPA DATA SEQUENCE GQNAIVAIAC YSGYNQEDSM IMNQSSIDRG LFRSLFFRSY MDQEKKYGMS DATA SEQUENCE ITETFEKPQR TNTLRMKHGT YDKLDDDGLI APGVRVSGED VIIGKTTPIS DATA SEQUENCE XXXXXXXXXX XXXSKRDAST PLRSTENGIV DQVLVTTNQD GLKFVKVRVR DATA SEQUENCE TTKIPQIGDK FASRHGQKGT IGITYRREDM PFTAEGIVPD LIINPHAIPS DATA SEQUENCE RMTVAHLIEC LLSKVAALSG NEGDASPFTD ITVEGISKLL REHGYQSRGF DATA SEQUENCE EVMYNGHTGK KLMAQIFFGP TYYQRLRHMV DDKIHARARG PMQVLTRQPV DATA SEQUENCE EGRSRDGGLR FGEMERDCMI AHGAASFLKE RLMEASDAFR VHICGICGLM DATA SEQUENCE TVIAKLNHNQ FECKGCDNKI DIYQIHIPYA AKLLFQELMA MNITPRLYTD DATA SEQUENCE RSRDF 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 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.279 176.300 -0.035 0.000 2.045 20 D CA 0.000 53.986 54.000 -0.024 0.000 0.868 20 D CB 0.000 40.792 40.800 -0.014 0.000 0.688 21 E N 0.056 120.225 120.200 -0.053 0.000 2.565 21 E HA 0.120 4.470 4.350 0.001 0.000 0.212 21 E C -0.519 176.018 176.600 -0.105 0.000 1.341 21 E CA -0.092 56.258 56.400 -0.082 0.000 1.236 21 E CB -0.204 29.432 29.700 -0.107 0.000 1.246 21 E HN 0.108 nan 8.360 nan 0.000 0.446 22 S N -0.188 115.474 115.700 -0.063 0.000 2.333 22 S HA 0.532 5.003 4.470 0.001 0.000 0.208 22 S C -1.128 173.461 174.600 -0.018 0.000 0.911 22 S CA -0.290 57.881 58.200 -0.049 0.000 1.075 22 S CB 1.272 64.442 63.200 -0.051 0.000 1.293 22 S HN 0.537 nan 8.310 nan 0.000 0.396 23 A N 4.065 126.882 122.820 -0.005 0.000 2.583 23 A HA 1.028 5.349 4.320 0.001 0.000 0.289 23 A C -2.974 174.618 177.584 0.013 0.000 1.151 23 A CA -1.706 50.334 52.037 0.006 0.000 0.695 23 A CB 0.844 19.848 19.000 0.006 0.000 1.290 23 A HN 0.405 nan 8.150 nan 0.000 0.419 24 P HA 0.335 nan 4.420 nan 0.000 0.291 24 P C -0.680 176.631 177.300 0.018 0.000 1.287 24 P CA 0.226 63.337 63.100 0.017 0.000 0.767 24 P CB 0.415 32.130 31.700 0.024 0.000 1.290 25 I N -0.609 119.972 120.570 0.019 0.000 2.542 25 I HA 0.140 4.311 4.170 0.001 0.000 0.278 25 I C 0.729 176.868 176.117 0.038 0.000 1.069 25 I CA -0.618 60.695 61.300 0.020 0.000 1.100 25 I CB 1.232 39.224 38.000 -0.013 0.000 1.204 25 I HN 0.243 nan 8.210 nan 0.000 0.470 26 T N 1.360 115.936 114.554 0.038 0.000 2.795 26 T HA 0.277 4.627 4.350 0.001 0.000 0.314 26 T C 1.469 176.195 174.700 0.043 0.000 1.069 26 T CA 0.127 62.251 62.100 0.039 0.000 1.071 26 T CB 1.472 70.364 68.868 0.040 0.000 0.988 26 T HN 0.560 nan 8.240 nan 0.000 0.543 27 A N 0.882 123.722 122.820 0.034 0.000 1.842 27 A HA -0.172 4.148 4.320 0.001 0.000 0.217 27 A C 2.254 179.815 177.584 -0.037 0.000 1.206 27 A CA 2.244 54.283 52.037 0.003 0.000 0.630 27 A CB -1.557 17.452 19.000 0.016 0.000 0.839 27 A HN 1.061 nan 8.150 nan 0.000 0.447 28 E N 0.412 120.625 120.200 0.021 0.000 2.197 28 E HA -0.274 4.077 4.350 0.001 0.000 0.205 28 E C 1.531 178.200 176.600 0.115 0.000 1.029 28 E CA 2.080 58.535 56.400 0.092 0.000 0.828 28 E CB -0.429 29.346 29.700 0.125 0.000 0.737 28 E HN 0.627 nan 8.360 nan 0.000 0.464 29 D N -0.591 119.860 120.400 0.084 0.000 2.087 29 D HA -0.194 4.446 4.640 0.001 0.000 0.192 29 D C 2.036 178.412 176.300 0.127 0.000 0.993 29 D CA 2.235 56.297 54.000 0.104 0.000 0.828 29 D CB -0.577 40.265 40.800 0.070 0.000 0.968 29 D HN 0.395 nan 8.370 nan 0.000 0.448 30 S N 0.214 115.963 115.700 0.083 0.000 2.409 30 S HA -0.272 4.198 4.470 0.001 0.000 0.237 30 S C 2.006 176.717 174.600 0.185 0.000 1.060 30 S CA 1.394 59.678 58.200 0.141 0.000 1.052 30 S CB -1.490 61.776 63.200 0.111 0.000 0.871 30 S HN 0.483 nan 8.310 nan 0.000 0.465 31 W N 1.999 123.365 121.300 0.111 0.000 2.304 31 W HA -0.202 4.459 4.660 0.001 0.000 0.315 31 W C 3.066 179.711 176.519 0.210 0.000 1.233 31 W CA 0.827 58.240 57.345 0.113 0.000 1.261 31 W CB -0.520 28.978 29.460 0.063 0.000 1.150 31 W HN 0.492 nan 8.180 nan 0.000 0.494 32 A N -0.189 122.896 122.820 0.442 0.000 1.908 32 A HA -0.221 4.100 4.320 0.001 0.000 0.218 32 A C 1.883 179.680 177.584 0.354 0.000 1.181 32 A CA 2.221 54.462 52.037 0.339 0.000 0.627 32 A CB -1.190 17.953 19.000 0.239 0.000 0.818 32 A HN 0.130 nan 8.150 nan 0.000 0.445 33 V N 0.480 120.600 119.914 0.343 0.000 2.287 33 V HA -0.321 3.799 4.120 0.001 0.000 0.248 33 V C 2.426 178.827 176.094 0.512 0.000 1.053 33 V CA 2.153 64.688 62.300 0.391 0.000 1.027 33 V CB -0.818 31.237 31.823 0.386 0.000 0.646 33 V HN 0.595 nan 8.190 nan 0.000 0.447 34 I N 0.011 120.886 120.570 0.508 0.000 2.208 34 I HA -0.268 3.902 4.170 0.001 0.000 0.245 34 I C 2.662 179.200 176.117 0.702 0.000 1.097 34 I CA 1.705 63.311 61.300 0.510 0.000 1.363 34 I CB -0.587 37.705 38.000 0.485 0.000 1.051 34 I HN 0.281 nan 8.210 nan 0.000 0.413 35 S N 0.763 116.891 115.700 0.714 0.000 2.372 35 S HA -0.280 4.190 4.470 0.001 0.000 0.227 35 S C 2.282 177.138 174.600 0.427 0.000 1.044 35 S CA 1.672 60.222 58.200 0.584 0.000 1.050 35 S CB -0.458 62.926 63.200 0.308 0.000 0.901 35 S HN 0.588 nan 8.310 nan 0.000 0.447 36 A N 0.833 123.874 122.820 0.368 0.000 1.917 36 A HA -0.157 4.163 4.320 0.001 0.000 0.219 36 A C 1.817 179.507 177.584 0.176 0.000 1.182 36 A CA 1.777 53.995 52.037 0.303 0.000 0.633 36 A CB -0.991 18.246 19.000 0.395 0.000 0.819 36 A HN 0.488 nan 8.150 nan 0.000 0.448 37 F N -0.225 119.641 119.950 -0.140 0.000 2.005 37 F HA -0.251 4.276 4.527 0.001 0.000 0.297 37 F C 2.012 177.531 175.800 -0.470 0.000 1.175 37 F CA 2.520 60.015 58.000 -0.841 0.000 1.192 37 F CB -0.730 37.675 39.000 -0.991 0.000 0.953 37 F HN 0.234 nan 8.300 nan 0.000 0.504 38 F N 0.497 120.569 119.950 0.204 0.000 2.287 38 F HA -0.177 4.351 4.527 0.001 0.000 0.301 38 F C 2.413 178.221 175.800 0.013 0.000 1.069 38 F CA 1.381 59.473 58.000 0.154 0.000 1.372 38 F CB -0.819 38.384 39.000 0.338 0.000 1.056 38 F HN -0.033 nan 8.300 nan 0.000 0.523 39 R N 0.039 120.638 120.500 0.165 0.000 2.081 39 R HA -0.181 4.159 4.340 0.001 0.000 0.235 39 R C 2.188 178.497 176.300 0.014 0.000 1.131 39 R CA 1.813 57.964 56.100 0.085 0.000 0.960 39 R CB -0.368 29.990 30.300 0.096 0.000 0.856 39 R HN 0.423 nan 8.270 nan 0.000 0.436 40 E N 0.460 120.618 120.200 -0.070 0.000 2.035 40 E HA -0.083 4.268 4.350 0.001 0.000 0.191 40 E C 1.573 178.062 176.600 -0.186 0.000 0.966 40 E CA 0.275 56.617 56.400 -0.098 0.000 0.823 40 E CB 0.264 29.930 29.700 -0.058 0.000 0.791 40 E HN -0.002 nan 8.360 nan 0.000 0.459 41 K N 0.236 120.363 120.400 -0.454 0.000 1.969 41 K HA -0.033 4.288 4.320 0.001 0.000 0.223 41 K C 0.839 177.323 176.600 -0.194 0.000 1.048 41 K CA 1.436 57.443 56.287 -0.467 0.000 0.983 41 K CB -0.853 30.995 32.500 -1.087 0.000 0.738 41 K HN 0.397 nan 8.250 nan 0.000 0.446 42 G N -0.238 108.503 108.800 -0.099 0.000 2.906 42 G HA2 -0.149 3.811 3.960 0.001 0.000 0.686 42 G HA3 -0.149 3.811 3.960 0.001 0.000 0.686 42 G C 0.389 175.397 174.900 0.181 0.000 1.170 42 G CA -0.351 44.814 45.100 0.108 0.000 0.775 42 G HN 0.165 nan 8.290 nan 0.000 0.630 43 L N 0.870 122.283 121.223 0.316 0.000 2.197 43 L HA -0.196 4.144 4.340 0.001 0.000 0.215 43 L C 2.838 179.789 176.870 0.135 0.000 1.095 43 L CA 2.198 57.206 54.840 0.280 0.000 0.764 43 L CB -0.426 41.774 42.059 0.234 0.000 0.897 43 L HN 0.883 nan 8.230 nan 0.000 0.436 44 V N -4.720 115.245 119.914 0.085 0.000 3.649 44 V HA 0.004 4.124 4.120 0.001 0.000 0.275 44 V C 2.225 178.328 176.094 0.016 0.000 1.281 44 V CA 0.505 62.826 62.300 0.035 0.000 1.143 44 V CB -0.208 31.623 31.823 0.014 0.000 0.892 44 V HN 0.495 nan 8.190 nan 0.000 0.441 45 S N 2.947 118.655 115.700 0.013 0.000 2.469 45 S HA -0.546 3.924 4.470 0.001 0.000 0.309 45 S C 1.886 176.479 174.600 -0.011 0.000 1.209 45 S CA 2.926 61.116 58.200 -0.018 0.000 1.281 45 S CB -1.465 61.708 63.200 -0.044 0.000 1.265 45 S HN 0.912 nan 8.310 nan 0.000 0.452 46 Q N 1.053 120.840 119.800 -0.022 0.000 1.867 46 Q HA -0.296 4.045 4.340 0.001 0.000 0.243 46 Q C 2.223 178.229 176.000 0.010 0.000 1.036 46 Q CA 1.668 57.456 55.803 -0.024 0.000 0.889 46 Q CB -0.845 27.871 28.738 -0.038 0.000 0.983 46 Q HN 0.552 nan 8.270 nan 0.000 0.418 47 Q N 0.692 120.499 119.800 0.012 0.000 2.182 47 Q HA -0.204 4.136 4.340 0.001 0.000 0.213 47 Q C 2.280 178.313 176.000 0.055 0.000 1.000 47 Q CA 1.898 57.720 55.803 0.033 0.000 0.889 47 Q CB -0.599 28.144 28.738 0.009 0.000 0.932 47 Q HN 0.511 nan 8.270 nan 0.000 0.415 48 L N 0.709 121.950 121.223 0.031 0.000 1.899 48 L HA -0.218 4.122 4.340 0.001 0.000 0.220 48 L C 2.074 179.015 176.870 0.118 0.000 1.091 48 L CA 1.366 56.237 54.840 0.053 0.000 0.781 48 L CB -0.999 41.073 42.059 0.021 0.000 0.886 48 L HN 0.153 nan 8.230 nan 0.000 0.430 49 D N -0.136 120.314 120.400 0.082 0.000 2.345 49 D HA -0.286 4.354 4.640 0.001 0.000 0.190 49 D C 2.158 178.525 176.300 0.112 0.000 1.024 49 D CA 2.161 56.213 54.000 0.087 0.000 0.893 49 D CB -0.342 40.496 40.800 0.063 0.000 0.907 49 D HN 0.287 nan 8.370 nan 0.000 0.452 50 S N -1.263 114.510 115.700 0.122 0.000 2.547 50 S HA -0.119 4.351 4.470 0.001 0.000 0.235 50 S C 1.351 176.105 174.600 0.256 0.000 0.980 50 S CA 0.292 58.580 58.200 0.146 0.000 0.941 50 S CB -0.160 63.109 63.200 0.115 0.000 0.763 50 S HN 0.229 nan 8.310 nan 0.000 0.532 51 F N 2.275 122.292 119.950 0.112 0.000 2.315 51 F HA 0.264 4.791 4.527 0.001 0.000 0.284 51 F C 1.913 177.835 175.800 0.203 0.000 1.049 51 F CA 0.694 58.797 58.000 0.173 0.000 1.323 51 F CB -0.619 38.444 39.000 0.105 0.000 1.113 51 F HN 0.144 nan 8.300 nan 0.000 0.544 52 N N 0.722 119.522 118.700 0.166 0.000 2.021 52 N HA -0.297 4.443 4.740 0.001 0.000 0.198 52 N C 1.807 177.332 175.510 0.024 0.000 1.041 52 N CA 1.847 54.926 53.050 0.049 0.000 0.862 52 N CB -0.996 37.551 38.487 0.100 0.000 1.048 52 N HN 0.345 nan 8.380 nan 0.000 0.427 53 Q N 0.633 120.463 119.800 0.050 0.000 2.217 53 Q HA -0.148 4.193 4.340 0.001 0.000 0.209 53 Q C 1.827 177.824 176.000 -0.004 0.000 0.988 53 Q CA 1.286 57.072 55.803 -0.029 0.000 0.878 53 Q CB -0.532 28.160 28.738 -0.077 0.000 0.909 53 Q HN 0.468 nan 8.270 nan 0.000 0.424 54 F N -0.859 119.031 119.950 -0.100 0.000 2.128 54 F HA -0.080 4.447 4.527 0.001 0.000 0.295 54 F C 1.588 177.285 175.800 -0.172 0.000 1.100 54 F CA 1.435 59.365 58.000 -0.117 0.000 1.260 54 F CB -0.424 38.493 39.000 -0.138 0.000 1.009 54 F HN -0.007 nan 8.300 nan 0.000 0.476 55 V N 1.091 120.713 119.914 -0.486 0.000 2.221 55 V HA -0.262 3.858 4.120 0.001 0.000 0.242 55 V C 2.188 178.071 176.094 -0.352 0.000 1.041 55 V CA 1.997 63.961 62.300 -0.560 0.000 0.995 55 V CB -1.035 30.538 31.823 -0.416 0.000 0.635 55 V HN 0.244 nan 8.190 nan 0.000 0.448 56 D N -0.303 120.010 120.400 -0.145 0.000 2.286 56 D HA -0.225 4.416 4.640 0.001 0.000 0.197 56 D C 2.030 178.296 176.300 -0.055 0.000 1.015 56 D CA 2.538 56.503 54.000 -0.057 0.000 0.871 56 D CB -0.562 40.317 40.800 0.132 0.000 1.044 56 D HN 0.528 nan 8.370 nan 0.000 0.459 57 Y N 1.006 121.206 120.300 -0.167 0.000 2.174 57 Y HA -0.039 4.511 4.550 0.001 0.000 0.273 57 Y C 2.911 178.703 175.900 -0.180 0.000 1.087 57 Y CA 0.895 58.913 58.100 -0.137 0.000 1.078 57 Y CB -1.393 37.019 38.460 -0.080 0.000 1.010 57 Y HN -0.065 nan 8.280 nan 0.000 0.478 58 T N 1.424 115.988 114.554 0.016 0.000 2.656 58 T HA -0.306 4.044 4.350 0.001 0.000 0.262 58 T C 1.907 176.477 174.700 -0.217 0.000 1.070 58 T CA 2.177 64.214 62.100 -0.106 0.000 1.160 58 T CB -0.920 67.871 68.868 -0.129 0.000 0.855 58 T HN 0.160 nan 8.240 nan 0.000 0.456 59 L N 0.630 121.569 121.223 -0.472 0.000 2.261 59 L HA -0.055 4.285 4.340 0.001 0.000 0.216 59 L C 2.419 179.209 176.870 -0.133 0.000 1.114 59 L CA 1.655 56.250 54.840 -0.408 0.000 0.777 59 L CB -0.550 41.134 42.059 -0.626 0.000 0.910 59 L HN 0.227 nan 8.230 nan 0.000 0.440 60 Q N -0.871 118.849 119.800 -0.134 0.000 2.165 60 Q HA -0.119 4.221 4.340 0.001 0.000 0.197 60 Q C 1.676 177.653 176.000 -0.039 0.000 0.952 60 Q CA 1.535 57.283 55.803 -0.091 0.000 0.848 60 Q CB 0.075 28.750 28.738 -0.105 0.000 0.931 60 Q HN 0.476 nan 8.270 nan 0.000 0.470 61 D N -0.161 120.228 120.400 -0.018 0.000 2.144 61 D HA -0.106 4.534 4.640 0.001 0.000 0.199 61 D C 1.278 177.592 176.300 0.023 0.000 0.984 61 D CA 1.159 55.166 54.000 0.011 0.000 0.834 61 D CB 0.049 40.864 40.800 0.025 0.000 0.955 61 D HN 0.357 nan 8.370 nan 0.000 0.465 62 I N -0.200 120.386 120.570 0.028 0.000 3.111 62 I HA -0.053 4.117 4.170 0.001 0.000 0.272 62 I C 1.527 177.648 176.117 0.006 0.000 1.268 62 I CA 0.250 61.572 61.300 0.037 0.000 1.467 62 I CB 0.196 38.255 38.000 0.099 0.000 1.087 62 I HN -0.020 nan 8.210 nan 0.000 0.467 63 I N -0.247 120.298 120.570 -0.041 0.000 3.462 63 I HA 0.048 4.218 4.170 0.001 0.000 0.290 63 I C 0.372 176.553 176.117 0.107 0.000 1.236 63 I CA 0.659 61.888 61.300 -0.119 0.000 1.418 63 I CB 0.307 38.165 38.000 -0.238 0.000 1.102 63 I HN 0.122 nan 8.210 nan 0.000 0.441 64 C N 1.640 120.988 119.300 0.080 0.000 2.344 64 C HA 0.600 5.060 4.460 0.001 0.000 0.326 64 C C 0.800 175.827 174.990 0.062 0.000 1.201 64 C CA -0.179 58.896 59.018 0.094 0.000 1.410 64 C CB -0.216 27.561 27.740 0.061 0.000 2.070 64 C HN 0.669 nan 8.230 nan 0.000 0.445 65 E N 1.562 121.797 120.200 0.057 0.000 2.063 65 E HA -0.059 4.292 4.350 0.001 0.000 0.261 65 E C -0.146 176.451 176.600 -0.005 0.000 1.078 65 E CA 0.247 56.657 56.400 0.016 0.000 1.828 65 E CB -0.394 29.309 29.700 0.004 0.000 3.457 65 E HN 0.522 nan 8.360 nan 0.000 1.008 66 D N 2.031 122.420 120.400 -0.018 0.000 2.620 66 D HA 0.109 4.749 4.640 0.001 0.000 0.260 66 D C 1.222 177.494 176.300 -0.047 0.000 1.367 66 D CA 0.624 54.592 54.000 -0.053 0.000 0.805 66 D CB 0.781 41.525 40.800 -0.094 0.000 1.096 66 D HN 0.197 nan 8.370 nan 0.000 0.488 67 S N 1.053 116.783 115.700 0.051 0.000 2.380 67 S HA -0.115 4.356 4.470 0.001 0.000 0.213 67 S C 1.201 175.969 174.600 0.280 0.000 1.037 67 S CA 0.899 59.231 58.200 0.220 0.000 1.034 67 S CB -1.384 62.096 63.200 0.467 0.000 1.022 67 S HN 0.195 nan 8.310 nan 0.000 0.418 68 T N 2.558 117.227 114.554 0.191 0.000 2.856 68 T HA 0.208 4.558 4.350 0.001 0.000 0.327 68 T C 0.099 174.774 174.700 -0.041 0.000 1.061 68 T CA 0.976 63.076 62.100 0.001 0.000 1.131 68 T CB -0.193 68.649 68.868 -0.044 0.000 1.083 68 T HN 0.404 nan 8.240 nan 0.000 0.518 69 L N 0.591 121.758 121.223 -0.093 0.000 2.834 69 L HA 0.676 5.016 4.340 0.001 0.000 0.236 69 L C -0.187 176.646 176.870 -0.062 0.000 1.457 69 L CA -1.073 53.746 54.840 -0.035 0.000 1.512 69 L CB 0.922 43.032 42.059 0.085 0.000 1.761 69 L HN 0.473 nan 8.230 nan 0.000 0.515 91 S N 4.166 119.694 115.700 -0.286 0.000 2.767 91 S HA 0.864 5.335 4.470 0.001 0.000 0.300 91 S C -0.920 173.356 174.600 -0.541 0.000 1.123 91 S CA -0.663 57.298 58.200 -0.398 0.000 0.992 91 S CB 1.681 64.817 63.200 -0.106 0.000 1.138 91 S HN 0.312 nan 8.310 nan 0.000 0.550 92 F N -0.348 119.654 119.950 0.087 0.000 2.518 92 F HA 0.718 5.245 4.527 0.001 0.000 0.323 92 F C 0.880 176.718 175.800 0.063 0.000 1.129 92 F CA -0.796 57.258 58.000 0.090 0.000 0.920 92 F CB 1.654 40.728 39.000 0.123 0.000 1.160 92 F HN 0.898 nan 8.300 nan 0.000 0.440 93 G N 1.677 110.608 108.800 0.219 0.000 3.411 93 G HA2 0.217 4.178 3.960 0.001 0.000 0.186 93 G HA3 0.217 4.178 3.960 0.001 0.000 0.186 93 G C -0.398 174.549 174.900 0.078 0.000 1.766 93 G CA -0.574 44.602 45.100 0.127 0.000 0.971 93 G HN 0.529 nan 8.290 nan 0.000 0.590 94 K N -0.332 120.081 120.400 0.023 0.000 2.230 94 K HA 0.374 4.694 4.320 0.001 0.000 0.253 94 K C -0.842 175.688 176.600 -0.116 0.000 1.008 94 K CA -0.105 56.116 56.287 -0.109 0.000 0.910 94 K CB 0.510 32.879 32.500 -0.219 0.000 0.994 94 K HN 0.324 nan 8.250 nan 0.000 0.495 95 I N 2.389 122.797 120.570 -0.270 0.000 2.569 95 I HA 0.282 4.453 4.170 0.001 0.000 0.290 95 I C -1.732 174.203 176.117 -0.303 0.000 1.088 95 I CA -0.882 60.326 61.300 -0.153 0.000 1.047 95 I CB 0.998 38.937 38.000 -0.103 0.000 1.237 95 I HN 0.587 nan 8.210 nan 0.000 0.421 96 Y N 5.508 125.803 120.300 -0.008 0.000 2.457 96 Y HA 0.675 5.225 4.550 0.001 0.000 0.333 96 Y C -0.267 175.499 175.900 -0.224 0.000 1.119 96 Y CA -0.973 57.077 58.100 -0.084 0.000 1.143 96 Y CB 1.927 40.378 38.460 -0.014 0.000 1.230 96 Y HN 0.205 nan 8.280 nan 0.000 0.469 97 V N 2.303 122.149 119.914 -0.113 0.000 2.419 97 V HA 0.258 4.378 4.120 0.001 0.000 0.287 97 V C -0.148 175.798 176.094 -0.247 0.000 1.017 97 V CA -0.999 61.161 62.300 -0.234 0.000 0.844 97 V CB 1.427 33.131 31.823 -0.198 0.000 1.011 97 V HN 0.979 nan 8.190 nan 0.000 0.429 98 T N 2.547 116.877 114.554 -0.373 0.000 2.701 98 T HA 0.375 4.726 4.350 0.001 0.000 0.303 98 T C 0.051 174.616 174.700 -0.224 0.000 1.030 98 T CA -0.442 61.483 62.100 -0.292 0.000 1.010 98 T CB 0.919 69.589 68.868 -0.331 0.000 1.007 98 T HN 0.494 nan 8.240 nan 0.000 0.532 99 K N 1.212 121.483 120.400 -0.215 0.000 2.087 99 K HA 0.372 4.693 4.320 0.001 0.000 0.255 99 K C -2.523 173.984 176.600 -0.156 0.000 0.988 99 K CA -2.118 54.016 56.287 -0.255 0.000 0.915 99 K CB 0.472 32.683 32.500 -0.480 0.000 1.043 99 K HN 0.396 nan 8.250 nan 0.000 0.457 100 P HA -0.178 nan 4.420 nan 0.000 0.265 100 P C -0.893 176.333 177.300 -0.123 0.000 1.151 100 P CA 1.309 64.288 63.100 -0.202 0.000 0.755 100 P CB 0.354 31.847 31.700 -0.344 0.000 0.756 101 M N 1.425 120.950 119.600 -0.125 0.000 2.484 101 M HA 0.294 4.774 4.480 0.001 0.000 0.289 101 M C -0.884 175.383 176.300 -0.055 0.000 1.206 101 M CA -0.993 54.257 55.300 -0.084 0.000 0.892 101 M CB 2.568 35.139 32.600 -0.048 0.000 1.712 101 M HN -0.172 nan 8.290 nan 0.000 0.462 102 V N 2.595 122.494 119.914 -0.024 0.000 2.217 102 V HA 0.214 4.334 4.120 0.001 0.000 0.264 102 V C -0.609 175.516 176.094 0.052 0.000 1.107 102 V CA -0.530 61.791 62.300 0.035 0.000 0.913 102 V CB -0.099 31.787 31.823 0.105 0.000 1.153 102 V HN 0.716 nan 8.190 nan 0.000 0.469 103 N N 4.415 123.135 118.700 0.034 0.000 2.482 103 N HA 0.286 5.027 4.740 0.001 0.000 0.242 103 N C -0.045 175.490 175.510 0.041 0.000 1.100 103 N CA -0.147 52.921 53.050 0.030 0.000 0.946 103 N CB 0.476 38.972 38.487 0.015 0.000 1.227 103 N HN 0.851 nan 8.380 nan 0.000 0.508 104 E N -0.162 120.066 120.200 0.046 0.000 2.343 104 E HA 0.547 4.897 4.350 0.001 0.000 0.270 104 E C -0.774 175.849 176.600 0.039 0.000 0.895 104 E CA -1.029 55.398 56.400 0.046 0.000 0.767 104 E CB 1.050 30.785 29.700 0.058 0.000 1.248 104 E HN 0.304 nan 8.360 nan 0.000 0.440 105 S N 1.461 117.181 115.700 0.034 0.000 2.617 105 S HA 0.112 4.582 4.470 0.001 0.000 0.259 105 S C 0.243 174.862 174.600 0.032 0.000 1.301 105 S CA 0.055 58.273 58.200 0.030 0.000 0.984 105 S CB 0.254 63.470 63.200 0.026 0.000 0.954 105 S HN 0.775 nan 8.310 nan 0.000 0.572 106 D N -0.256 120.160 120.400 0.027 0.000 2.837 106 D HA -0.103 4.537 4.640 0.001 0.000 0.230 106 D C 0.158 176.475 176.300 0.029 0.000 1.152 106 D CA 1.768 55.784 54.000 0.027 0.000 0.736 106 D CB -1.482 39.336 40.800 0.029 0.000 1.084 106 D HN 1.133 nan 8.370 nan 0.000 0.429 107 G N -2.139 106.679 108.800 0.030 0.000 2.633 107 G HA2 0.399 4.359 3.960 0.001 0.000 0.299 107 G HA3 0.399 4.359 3.960 0.001 0.000 0.299 107 G C 0.557 175.478 174.900 0.035 0.000 1.501 107 G CA -0.225 44.895 45.100 0.034 0.000 0.887 107 G HN 0.023 nan 8.290 nan 0.000 0.561 108 V N 0.785 120.719 119.914 0.034 0.000 2.284 108 V HA 0.202 4.322 4.120 0.001 0.000 0.213 108 V C 1.276 177.393 176.094 0.039 0.000 0.958 108 V CA 1.685 64.004 62.300 0.031 0.000 1.018 108 V CB -0.617 31.226 31.823 0.033 0.000 0.661 108 V HN 0.902 nan 8.190 nan 0.000 0.482 109 T N -0.591 113.999 114.554 0.059 0.000 3.705 109 T HA 0.333 4.683 4.350 0.001 0.000 0.342 109 T C -1.320 173.458 174.700 0.130 0.000 1.043 109 T CA -0.462 61.681 62.100 0.070 0.000 1.071 109 T CB 0.950 69.834 68.868 0.026 0.000 1.124 109 T HN 0.645 nan 8.240 nan 0.000 0.467 110 H N 2.332 121.425 119.070 0.037 0.000 2.487 110 H HA 0.735 5.291 4.556 0.001 0.000 0.333 110 H C 0.030 175.391 175.328 0.055 0.000 1.114 110 H CA -0.605 55.477 56.048 0.056 0.000 1.310 110 H CB 1.034 30.836 29.762 0.067 0.000 1.462 110 H HN 0.784 nan 8.280 nan 0.000 0.516 111 A N 5.893 128.626 122.820 -0.146 0.000 2.475 111 A HA 0.279 4.600 4.320 0.001 0.000 0.293 111 A C -0.222 176.896 177.584 -0.776 0.000 1.252 111 A CA -0.469 51.406 52.037 -0.270 0.000 0.920 111 A CB -1.019 17.989 19.000 0.013 0.000 1.125 111 A HN 0.669 nan 8.150 nan 0.000 0.528 112 L N 3.278 124.163 121.223 -0.563 0.000 2.467 112 L HA 0.446 4.786 4.340 0.001 0.000 0.270 112 L C -0.622 175.912 176.870 -0.561 0.000 1.205 112 L CA 0.547 55.124 54.840 -0.437 0.000 0.828 112 L CB 0.018 41.975 42.059 -0.170 0.000 1.101 112 L HN 0.607 nan 8.230 nan 0.000 0.479 113 Y N 3.411 123.602 120.300 -0.181 0.000 2.576 113 Y HA 0.438 4.988 4.550 0.000 0.000 0.346 113 Y C -1.679 174.253 175.900 0.052 0.000 1.018 113 Y CA -1.371 56.666 58.100 -0.104 0.000 1.050 113 Y CB 1.183 39.540 38.460 -0.172 0.000 1.280 113 Y HN 0.513 nan 8.280 nan 0.000 0.474 114 P HA -0.254 nan 4.420 nan 0.000 0.210 114 P C 1.219 178.521 177.300 0.002 0.000 1.189 114 P CA 1.847 64.841 63.100 -0.176 0.000 0.920 114 P CB 0.369 31.883 31.700 -0.311 0.000 0.782 115 Q N 0.409 120.227 119.800 0.030 0.000 2.290 115 Q HA -0.232 4.108 4.340 0.001 0.000 0.211 115 Q C 2.161 178.195 176.000 0.057 0.000 0.991 115 Q CA 2.015 57.839 55.803 0.035 0.000 0.893 115 Q CB -0.866 27.882 28.738 0.017 0.000 0.913 115 Q HN 0.453 nan 8.270 nan 0.000 0.428 116 E N -1.604 118.653 120.200 0.096 0.000 2.024 116 E HA -0.003 4.347 4.350 0.001 0.000 0.190 116 E C 1.675 178.349 176.600 0.123 0.000 0.974 116 E CA 0.689 57.157 56.400 0.114 0.000 0.810 116 E CB -0.294 29.499 29.700 0.156 0.000 0.775 116 E HN 0.371 nan 8.360 nan 0.000 0.453 117 A N 1.354 124.259 122.820 0.142 0.000 2.194 117 A HA -0.192 4.128 4.320 0.001 0.000 0.220 117 A C 1.994 179.656 177.584 0.129 0.000 1.162 117 A CA 1.059 53.186 52.037 0.149 0.000 0.674 117 A CB -0.494 18.615 19.000 0.182 0.000 0.789 117 A HN 0.157 nan 8.150 nan 0.000 0.470 118 R N -0.767 119.792 120.500 0.098 0.000 2.062 118 R HA 0.063 4.403 4.340 0.001 0.000 0.226 118 R C 1.966 178.313 176.300 0.078 0.000 1.125 118 R CA 1.279 57.423 56.100 0.074 0.000 0.966 118 R CB -0.481 29.847 30.300 0.046 0.000 0.861 118 R HN 0.557 nan 8.270 nan 0.000 0.433 119 L N 0.104 121.369 121.223 0.070 0.000 2.127 119 L HA 0.011 4.351 4.340 0.001 0.000 0.203 119 L C 2.129 179.059 176.870 0.100 0.000 1.080 119 L CA 0.898 55.763 54.840 0.041 0.000 0.768 119 L CB -0.327 41.736 42.059 0.005 0.000 0.924 119 L HN 0.071 nan 8.230 nan 0.000 0.444 120 R N 0.780 121.384 120.500 0.173 0.000 2.328 120 R HA 0.030 4.370 4.340 0.001 0.000 0.200 120 R C -0.223 176.322 176.300 0.408 0.000 0.983 120 R CA -0.026 56.268 56.100 0.324 0.000 1.062 120 R CB -0.535 29.905 30.300 0.233 0.000 0.956 120 R HN 0.457 nan 8.270 nan 0.000 0.479 121 N N 1.294 120.189 118.700 0.325 0.000 2.669 121 N HA -0.212 4.529 4.740 0.001 0.000 0.266 121 N C -0.431 175.152 175.510 0.123 0.000 1.024 121 N CA -0.129 53.057 53.050 0.228 0.000 0.766 121 N CB -0.685 37.974 38.487 0.286 0.000 0.898 121 N HN 0.217 nan 8.380 nan 0.000 0.548 122 L N -0.883 120.416 121.223 0.127 0.000 2.783 122 L HA 0.558 4.898 4.340 0.001 0.000 0.205 122 L C 0.797 177.732 176.870 0.109 0.000 1.985 122 L CA -0.591 54.310 54.840 0.101 0.000 2.546 122 L CB 0.569 42.697 42.059 0.115 0.000 2.829 122 L HN -0.027 nan 8.230 nan 0.000 0.614 123 T N -0.747 113.880 114.554 0.122 0.000 3.446 123 T HA 0.128 4.478 4.350 0.001 0.000 0.289 123 T C -0.714 174.093 174.700 0.178 0.000 1.203 123 T CA -0.360 61.827 62.100 0.144 0.000 1.645 123 T CB -0.349 68.585 68.868 0.108 0.000 0.841 123 T HN 0.310 nan 8.240 nan 0.000 0.617 124 Y N 3.952 124.291 120.300 0.064 0.000 2.623 124 Y HA -0.015 4.535 4.550 0.001 0.000 0.378 124 Y C 0.712 176.645 175.900 0.054 0.000 1.308 124 Y CA 0.395 58.519 58.100 0.041 0.000 1.898 124 Y CB -0.918 37.558 38.460 0.026 0.000 1.629 124 Y HN 0.556 nan 8.280 nan 0.000 0.369 125 S N 0.980 116.633 115.700 -0.078 0.000 2.709 125 S HA 0.925 5.395 4.470 0.001 0.000 0.302 125 S C -0.342 174.185 174.600 -0.121 0.000 1.127 125 S CA -0.344 57.812 58.200 -0.073 0.000 0.905 125 S CB 1.916 65.145 63.200 0.047 0.000 1.151 125 S HN 0.573 nan 8.310 nan 0.000 0.510 126 S N -0.317 115.337 115.700 -0.077 0.000 2.661 126 S HA 0.864 5.334 4.470 0.001 0.000 0.285 126 S C 0.246 174.832 174.600 -0.023 0.000 1.138 126 S CA -0.612 57.537 58.200 -0.086 0.000 0.855 126 S CB 0.775 63.885 63.200 -0.150 0.000 1.136 126 S HN 1.383 nan 8.310 nan 0.000 0.484 127 G N -0.275 108.503 108.800 -0.037 0.000 2.572 127 G HA2 0.547 4.507 3.960 0.001 0.000 0.261 127 G HA3 0.547 4.507 3.960 0.001 0.000 0.261 127 G C -1.392 173.441 174.900 -0.111 0.000 1.197 127 G CA -0.586 44.585 45.100 0.119 0.000 0.870 127 G HN 0.536 nan 8.290 nan 0.000 0.548 128 L N 0.613 121.912 121.223 0.126 0.000 2.372 128 L HA 0.423 4.763 4.340 0.001 0.000 0.273 128 L C -0.544 176.525 176.870 0.331 0.000 0.989 128 L CA -0.224 54.615 54.840 -0.001 0.000 0.841 128 L CB 1.249 43.269 42.059 -0.064 0.000 1.225 128 L HN 0.433 nan 8.230 nan 0.000 0.414 129 F N 2.489 122.553 119.950 0.191 0.000 2.450 129 F HA 0.777 5.305 4.527 0.001 0.000 0.332 129 F C 0.074 176.002 175.800 0.213 0.000 1.093 129 F CA -1.408 56.725 58.000 0.222 0.000 1.003 129 F CB 2.036 41.171 39.000 0.226 0.000 1.151 129 F HN 0.005 nan 8.300 nan 0.000 0.474 130 V N 2.094 122.227 119.914 0.364 0.000 2.524 130 V HA 0.099 4.219 4.120 0.001 0.000 0.297 130 V C -0.719 175.541 176.094 0.277 0.000 1.035 130 V CA -1.106 61.353 62.300 0.264 0.000 0.867 130 V CB 1.639 33.546 31.823 0.140 0.000 1.004 130 V HN 0.636 nan 8.190 nan 0.000 0.426 131 D N 4.082 124.655 120.400 0.289 0.000 2.376 131 D HA 0.066 4.707 4.640 0.001 0.000 0.278 131 D C 0.255 176.673 176.300 0.196 0.000 1.384 131 D CA 0.469 54.606 54.000 0.230 0.000 1.033 131 D CB 1.226 42.164 40.800 0.230 0.000 1.102 131 D HN 0.260 nan 8.370 nan 0.000 0.530 132 V N 2.794 122.814 119.914 0.176 0.000 2.775 132 V HA 0.061 4.181 4.120 0.001 0.000 0.299 132 V C 0.725 176.849 176.094 0.050 0.000 1.062 132 V CA -0.324 62.051 62.300 0.126 0.000 1.063 132 V CB 1.315 33.209 31.823 0.118 0.000 0.994 132 V HN 0.254 nan 8.190 nan 0.000 0.483 133 K N 2.877 123.267 120.400 -0.016 0.000 2.130 133 K HA 0.399 4.719 4.320 0.001 0.000 0.268 133 K C 0.422 177.023 176.600 0.001 0.000 0.983 133 K CA -0.327 55.961 56.287 0.003 0.000 0.893 133 K CB 1.279 33.782 32.500 0.006 0.000 1.066 133 K HN 0.598 nan 8.250 nan 0.000 0.450 134 K N 1.965 122.380 120.400 0.024 0.000 2.260 134 K HA 0.249 4.569 4.320 0.001 0.000 0.191 134 K C -0.612 176.015 176.600 0.046 0.000 1.076 134 K CA -0.051 56.251 56.287 0.025 0.000 1.077 134 K CB -0.027 32.481 32.500 0.014 0.000 1.423 134 K HN 0.499 nan 8.250 nan 0.000 0.462 135 R N 0.623 121.129 120.500 0.009 0.000 1.324 135 R HA -0.110 4.230 4.340 0.001 0.000 0.410 135 R C -1.213 175.048 176.300 -0.064 0.000 1.331 135 R CA 0.460 56.522 56.100 -0.063 0.000 1.209 135 R CB -2.471 27.852 30.300 0.038 0.000 3.484 135 R HN 0.542 nan 8.270 nan 0.000 0.489 136 T N 4.808 119.252 114.554 -0.183 0.000 2.832 136 T HA 0.453 4.803 4.350 0.001 0.000 0.313 136 T C -0.311 174.275 174.700 -0.190 0.000 1.035 136 T CA -0.318 61.718 62.100 -0.106 0.000 0.950 136 T CB 0.075 68.896 68.868 -0.079 0.000 0.984 136 T HN 0.237 nan 8.240 nan 0.000 0.486 137 Y N 1.917 122.209 120.300 -0.014 0.000 2.328 137 Y HA 0.349 4.899 4.550 0.001 0.000 0.337 137 Y C 1.163 177.052 175.900 -0.018 0.000 1.008 137 Y CA -0.971 57.123 58.100 -0.011 0.000 1.129 137 Y CB 0.898 39.357 38.460 -0.002 0.000 1.185 137 Y HN 0.553 nan 8.280 nan 0.000 0.476 165 V N 1.373 121.344 119.914 0.094 0.000 2.850 165 V HA 0.596 4.716 4.120 0.001 0.000 0.315 165 V C -0.193 175.979 176.094 0.132 0.000 1.064 165 V CA -1.025 61.322 62.300 0.078 0.000 0.979 165 V CB 1.540 33.422 31.823 0.099 0.000 1.039 165 V HN 0.449 nan 8.190 nan 0.000 0.452 166 F N 4.193 124.114 119.950 -0.049 0.000 2.404 166 F HA 0.804 5.331 4.527 0.001 0.000 0.339 166 F C -0.715 175.183 175.800 0.163 0.000 1.105 166 F CA -0.894 57.161 58.000 0.092 0.000 1.087 166 F CB 1.012 39.937 39.000 -0.126 0.000 1.143 166 F HN 0.261 nan 8.300 nan 0.000 0.491 167 I N 5.792 125.984 120.570 -0.629 0.000 2.542 167 I HA 0.619 4.789 4.170 0.001 0.000 0.278 167 I C 0.216 175.988 176.117 -0.575 0.000 1.069 167 I CA -0.474 60.434 61.300 -0.653 0.000 1.100 167 I CB 0.943 38.813 38.000 -0.216 0.000 1.204 167 I HN 1.032 nan 8.210 nan 0.000 0.470 168 G N 4.705 113.061 108.800 -0.740 0.000 2.894 168 G HA2 -0.192 3.769 3.960 0.001 0.000 0.247 168 G HA3 -0.192 3.769 3.960 0.001 0.000 0.247 168 G C -0.434 174.523 174.900 0.095 0.000 1.442 168 G CA -0.753 44.238 45.100 -0.182 0.000 0.897 168 G HN 0.630 nan 8.290 nan 0.000 0.550 169 R N -0.862 119.717 120.500 0.132 0.000 2.534 169 R HA 0.541 4.882 4.340 0.001 0.000 0.301 169 R C -0.564 175.772 176.300 0.060 0.000 0.961 169 R CA -0.994 55.188 56.100 0.135 0.000 0.871 169 R CB 1.886 32.278 30.300 0.153 0.000 1.170 169 R HN 0.581 nan 8.270 nan 0.000 0.446 170 L N 5.144 126.386 121.223 0.033 0.000 2.259 170 L HA 0.374 4.715 4.340 0.001 0.000 0.288 170 L C -2.306 174.645 176.870 0.135 0.000 1.051 170 L CA -2.397 52.474 54.840 0.052 0.000 0.824 170 L CB 0.836 42.902 42.059 0.012 0.000 1.206 170 L HN 0.455 nan 8.230 nan 0.000 0.429 171 P HA 0.002 nan 4.420 nan 0.000 0.254 171 P C 0.238 177.771 177.300 0.388 0.000 1.467 171 P CA 0.282 63.537 63.100 0.258 0.000 1.281 171 P CB -0.398 31.455 31.700 0.256 0.000 1.754 172 I N 2.246 122.960 120.570 0.241 0.000 3.094 172 I HA -0.065 4.106 4.170 0.001 0.000 0.291 172 I C 1.555 177.506 176.117 -0.277 0.000 1.250 172 I CA 0.350 61.770 61.300 0.200 0.000 1.401 172 I CB 0.106 38.144 38.000 0.064 0.000 1.343 172 I HN 0.263 nan 8.210 nan 0.000 0.599 173 M N 4.127 123.160 119.600 -0.946 0.000 2.291 173 M HA 0.375 4.855 4.480 0.001 0.000 0.324 173 M C -0.938 174.980 176.300 -0.637 0.000 1.148 173 M CA -0.590 53.803 55.300 -1.512 0.000 1.104 173 M CB 1.184 32.599 32.600 -1.975 0.000 1.483 173 M HN 0.320 nan 8.290 nan 0.000 0.467 174 L N 3.142 123.928 121.223 -0.728 0.000 2.357 174 L HA 0.387 4.727 4.340 0.001 0.000 0.273 174 L C 0.711 177.340 176.870 -0.403 0.000 1.080 174 L CA 0.587 55.093 54.840 -0.557 0.000 0.803 174 L CB 1.070 42.587 42.059 -0.905 0.000 1.174 174 L HN 0.939 nan 8.230 nan 0.000 0.443 175 R N -0.219 120.148 120.500 -0.221 0.000 3.994 175 R HA -0.179 4.162 4.340 0.001 0.000 0.403 175 R C 0.077 176.337 176.300 -0.066 0.000 1.126 175 R CA 1.098 57.126 56.100 -0.120 0.000 1.143 175 R CB -2.124 28.092 30.300 -0.140 0.000 1.695 175 R HN 0.865 nan 8.270 nan 0.000 0.555 176 S N -1.193 114.471 115.700 -0.059 0.000 2.686 176 S HA 0.354 4.825 4.470 0.001 0.000 0.270 176 S C 1.210 175.847 174.600 0.060 0.000 1.194 176 S CA -0.391 57.829 58.200 0.032 0.000 0.990 176 S CB 1.325 64.597 63.200 0.120 0.000 1.029 176 S HN 0.240 nan 8.310 nan 0.000 0.560 177 K N 0.545 120.995 120.400 0.082 0.000 2.044 177 K HA -0.140 4.180 4.320 0.001 0.000 0.210 177 K C 1.354 177.959 176.600 0.009 0.000 1.049 177 K CA 1.828 58.139 56.287 0.041 0.000 0.927 177 K CB -0.501 32.021 32.500 0.036 0.000 0.713 177 K HN 0.571 nan 8.250 nan 0.000 0.443 178 N N 0.095 118.816 118.700 0.036 0.000 2.485 178 N HA -0.033 4.708 4.740 0.001 0.000 0.199 178 N C -0.893 174.592 175.510 -0.042 0.000 1.236 178 N CA 0.024 53.056 53.050 -0.030 0.000 0.852 178 N CB 0.099 38.587 38.487 0.002 0.000 1.018 178 N HN 0.134 nan 8.380 nan 0.000 0.457 179 C N 0.128 119.448 119.300 0.033 0.000 2.355 179 C HA 0.301 4.761 4.460 0.001 0.000 0.332 179 C C 1.446 176.509 174.990 0.122 0.000 1.255 179 C CA -0.797 58.322 59.018 0.168 0.000 1.792 179 C CB -0.698 27.150 27.740 0.180 0.000 2.300 179 C HN 0.490 nan 8.230 nan 0.000 0.515 180 Y N 3.202 123.532 120.300 0.051 0.000 2.256 180 Y HA -0.101 4.450 4.550 0.001 0.000 0.288 180 Y C 1.990 177.940 175.900 0.083 0.000 1.155 180 Y CA 1.485 59.613 58.100 0.046 0.000 1.203 180 Y CB -0.676 37.801 38.460 0.029 0.000 0.980 180 Y HN 0.640 nan 8.280 nan 0.000 0.530 181 L N -0.350 121.026 121.223 0.254 0.000 2.201 181 L HA -0.202 4.138 4.340 0.001 0.000 0.212 181 L C 2.594 179.517 176.870 0.088 0.000 1.105 181 L CA 1.363 56.291 54.840 0.147 0.000 0.775 181 L CB -0.833 41.276 42.059 0.084 0.000 0.913 181 L HN 0.307 nan 8.230 nan 0.000 0.440 182 S N -0.122 115.619 115.700 0.069 0.000 2.380 182 S HA -0.275 4.195 4.470 0.001 0.000 0.229 182 S C 1.731 176.355 174.600 0.040 0.000 1.043 182 S CA 1.767 59.990 58.200 0.038 0.000 1.038 182 S CB -0.326 62.889 63.200 0.025 0.000 0.872 182 S HN 0.562 nan 8.310 nan 0.000 0.456 183 E N 2.007 122.237 120.200 0.050 0.000 2.045 183 E HA 0.401 4.752 4.350 0.001 0.000 0.190 183 E C 1.239 177.876 176.600 0.061 0.000 0.968 183 E CA 0.339 56.767 56.400 0.047 0.000 0.813 183 E CB -0.434 29.291 29.700 0.042 0.000 0.780 183 E HN 0.664 nan 8.360 nan 0.000 0.455 184 A N 1.560 124.435 122.820 0.091 0.000 2.642 184 A HA 0.063 4.383 4.320 0.001 0.000 0.228 184 A C 0.519 178.147 177.584 0.074 0.000 1.045 184 A CA 1.220 53.316 52.037 0.098 0.000 0.760 184 A CB -0.314 18.768 19.000 0.137 0.000 0.958 184 A HN 0.307 nan 8.150 nan 0.000 0.505 185 T N -1.452 113.143 114.554 0.068 0.000 2.841 185 T HA 0.578 4.928 4.350 0.001 0.000 0.296 185 T C 0.483 175.219 174.700 0.060 0.000 1.166 185 T CA 0.230 62.361 62.100 0.052 0.000 1.007 185 T CB 1.225 70.110 68.868 0.028 0.000 1.253 185 T HN 0.824 nan 8.240 nan 0.000 0.511 186 E N 1.323 121.553 120.200 0.050 0.000 3.220 186 E HA -0.387 3.963 4.350 0.001 0.000 0.340 186 E C 1.998 178.629 176.600 0.052 0.000 1.110 186 E CA 3.475 59.895 56.400 0.033 0.000 1.358 186 E CB -1.370 28.299 29.700 -0.051 0.000 1.382 186 E HN 0.980 nan 8.360 nan 0.000 0.404 187 S N 0.580 116.265 115.700 -0.025 0.000 2.414 187 S HA -0.357 4.113 4.470 0.001 0.000 0.238 187 S C 1.687 176.336 174.600 0.081 0.000 1.055 187 S CA 2.107 60.302 58.200 -0.008 0.000 1.174 187 S CB -1.257 61.934 63.200 -0.016 0.000 1.087 187 S HN 0.487 nan 8.310 nan 0.000 0.428 188 D N 2.369 122.814 120.400 0.075 0.000 2.230 188 D HA -0.188 4.452 4.640 0.001 0.000 0.189 188 D C 2.134 178.502 176.300 0.113 0.000 1.006 188 D CA 1.968 56.022 54.000 0.089 0.000 0.853 188 D CB -0.608 40.249 40.800 0.095 0.000 0.959 188 D HN 0.422 nan 8.370 nan 0.000 0.449 189 L N -0.220 121.091 121.223 0.147 0.000 1.944 189 L HA -0.254 4.086 4.340 0.001 0.000 0.218 189 L C 2.748 179.714 176.870 0.160 0.000 1.075 189 L CA 1.540 56.469 54.840 0.149 0.000 0.767 189 L CB -1.078 41.084 42.059 0.171 0.000 0.890 189 L HN 0.039 nan 8.230 nan 0.000 0.434 190 Y N 0.623 120.939 120.300 0.027 0.000 2.219 190 Y HA -0.308 4.242 4.550 0.001 0.000 0.283 190 Y C 2.568 178.469 175.900 0.002 0.000 1.191 190 Y CA 1.631 59.743 58.100 0.019 0.000 1.199 190 Y CB -0.510 37.960 38.460 0.018 0.000 0.972 190 Y HN 0.205 nan 8.280 nan 0.000 0.527 191 K N -0.745 119.745 120.400 0.149 0.000 2.262 191 K HA 0.037 4.357 4.320 0.001 0.000 0.200 191 K C 1.480 178.079 176.600 -0.001 0.000 1.049 191 K CA 0.664 56.987 56.287 0.060 0.000 0.979 191 K CB -0.126 32.397 32.500 0.039 0.000 0.773 191 K HN 0.240 nan 8.250 nan 0.000 0.474 192 L N 0.895 122.115 121.223 -0.005 0.000 2.599 192 L HA 0.031 4.371 4.340 0.001 0.000 0.230 192 L C 0.621 177.464 176.870 -0.044 0.000 1.141 192 L CA 0.623 55.421 54.840 -0.069 0.000 0.877 192 L CB -0.244 41.793 42.059 -0.036 0.000 1.009 192 L HN 0.167 nan 8.230 nan 0.000 0.447 193 K N -2.193 118.193 120.400 -0.022 0.000 3.695 193 K HA -0.201 4.119 4.320 0.001 0.000 0.416 193 K C 0.346 176.917 176.600 -0.048 0.000 0.459 193 K CA 1.251 57.516 56.287 -0.036 0.000 1.825 193 K CB -0.903 31.578 32.500 -0.032 0.000 0.891 193 K HN 0.164 nan 8.250 nan 0.000 0.469 194 E N 1.661 121.851 120.200 -0.017 0.000 2.900 194 E HA -0.137 4.213 4.350 0.001 0.000 0.259 194 E C -0.027 176.551 176.600 -0.036 0.000 0.918 194 E CA 0.565 56.965 56.400 -0.001 0.000 0.960 194 E CB 0.307 30.024 29.700 0.029 0.000 0.908 194 E HN 0.310 nan 8.360 nan 0.000 0.511 195 C N 8.000 127.284 119.300 -0.026 0.000 2.648 195 C HA 0.082 4.542 4.460 0.001 0.000 0.419 195 C C -0.417 174.591 174.990 0.030 0.000 1.352 195 C CA -1.574 57.405 59.018 -0.065 0.000 1.816 195 C CB -0.003 27.735 27.740 -0.003 0.000 2.598 195 C HN 0.624 nan 8.230 nan 0.000 0.598 196 P HA -0.157 nan 4.420 nan 0.000 0.215 196 P C 1.206 178.601 177.300 0.159 0.000 1.157 196 P CA 1.823 65.022 63.100 0.165 0.000 0.868 196 P CB -0.182 31.735 31.700 0.361 0.000 0.788 197 F N 0.274 120.226 119.950 0.003 0.000 2.664 197 F HA -0.028 4.499 4.527 0.001 0.000 0.297 197 F C 0.999 176.910 175.800 0.184 0.000 1.164 197 F CA 0.238 58.241 58.000 0.005 0.000 1.472 197 F CB -1.427 37.451 39.000 -0.204 0.000 1.108 197 F HN -0.029 nan 8.300 nan 0.000 0.596 198 D N 0.680 121.259 120.400 0.298 0.000 2.383 198 D HA -0.010 4.630 4.640 0.001 0.000 0.252 198 D C 1.382 177.810 176.300 0.213 0.000 1.166 198 D CA -0.031 54.145 54.000 0.294 0.000 0.879 198 D CB 0.652 41.581 40.800 0.216 0.000 1.164 198 D HN 0.030 nan 8.370 nan 0.000 0.462 199 M N 2.530 122.261 119.600 0.219 0.000 2.502 199 M HA 0.257 4.737 4.480 0.001 0.000 0.243 199 M C 0.947 177.271 176.300 0.039 0.000 1.130 199 M CA 0.509 55.883 55.300 0.123 0.000 1.055 199 M CB -1.207 31.463 32.600 0.116 0.000 1.457 199 M HN 0.388 nan 8.290 nan 0.000 0.488 200 G N 1.307 110.133 108.800 0.044 0.000 2.622 200 G HA2 -0.006 3.955 3.960 0.001 0.000 0.272 200 G HA3 -0.006 3.955 3.960 0.001 0.000 0.272 200 G C 0.658 175.422 174.900 -0.226 0.000 1.308 200 G CA 0.859 45.793 45.100 -0.277 0.000 0.919 200 G HN 1.724 nan 8.290 nan 0.000 0.565 201 G N -3.297 105.245 108.800 -0.430 0.000 2.148 201 G HA2 0.291 4.251 3.960 0.001 0.000 0.203 201 G HA3 0.291 4.251 3.960 0.001 0.000 0.203 201 G C 0.168 174.951 174.900 -0.196 0.000 0.993 201 G CA 1.262 46.211 45.100 -0.252 0.000 0.661 201 G HN 2.387 nan 8.290 nan 0.000 0.518 202 Y N -1.441 118.731 120.300 -0.213 0.000 2.665 202 Y HA 0.887 5.438 4.550 0.001 0.000 0.336 202 Y C -0.499 175.277 175.900 -0.208 0.000 1.085 202 Y CA -3.193 54.861 58.100 -0.077 0.000 1.096 202 Y CB 0.753 39.182 38.460 -0.051 0.000 1.301 202 Y HN -0.005 nan 8.280 nan 0.000 0.493 203 F N 0.727 120.756 119.950 0.132 0.000 2.507 203 F HA 0.636 5.163 4.527 0.001 0.000 0.327 203 F C -0.425 175.473 175.800 0.164 0.000 1.068 203 F CA -1.647 56.395 58.000 0.070 0.000 0.965 203 F CB 1.735 40.748 39.000 0.023 0.000 1.192 203 F HN 0.331 nan 8.300 nan 0.000 0.476 204 I N 4.043 124.797 120.570 0.306 0.000 2.460 204 I HA 0.300 4.470 4.170 0.001 0.000 0.277 204 I C -1.167 175.075 176.117 0.208 0.000 1.057 204 I CA -0.298 61.134 61.300 0.220 0.000 1.179 204 I CB 0.457 38.544 38.000 0.145 0.000 1.329 204 I HN 0.286 nan 8.210 nan 0.000 0.478 205 I N 5.457 126.126 120.570 0.166 0.000 2.377 205 I HA 0.272 4.442 4.170 0.001 0.000 0.293 205 I C 0.626 176.792 176.117 0.082 0.000 0.987 205 I CA -0.479 60.894 61.300 0.122 0.000 1.185 205 I CB 0.864 38.921 38.000 0.094 0.000 1.341 205 I HN 0.397 nan 8.210 nan 0.000 0.455 206 N N 5.598 124.340 118.700 0.071 0.000 2.700 206 N HA -0.248 4.492 4.740 0.001 0.000 0.265 206 N C 0.881 176.429 175.510 0.062 0.000 0.975 206 N CA 1.206 54.284 53.050 0.047 0.000 0.800 206 N CB -0.519 37.975 38.487 0.013 0.000 0.908 206 N HN 1.159 nan 8.380 nan 0.000 0.551 207 G N -0.654 108.201 108.800 0.091 0.000 3.594 207 G HA2 -0.371 3.590 3.960 0.001 0.000 0.285 207 G HA3 -0.371 3.590 3.960 0.001 0.000 0.285 207 G C 0.019 174.959 174.900 0.067 0.000 1.551 207 G CA 0.682 45.841 45.100 0.098 0.000 1.061 207 G HN 1.279 nan 8.290 nan 0.000 0.624 208 S N 1.993 117.717 115.700 0.040 0.000 2.571 208 S HA 0.319 4.789 4.470 0.001 0.000 0.298 208 S C 0.153 174.756 174.600 0.006 0.000 1.280 208 S CA 0.994 59.194 58.200 0.001 0.000 1.052 208 S CB 0.570 63.763 63.200 -0.013 0.000 0.799 208 S HN 0.772 nan 8.310 nan 0.000 0.501 209 E N 2.056 122.220 120.200 -0.060 0.000 2.104 209 E HA 0.158 4.508 4.350 0.001 0.000 0.278 209 E C -0.235 176.342 176.600 -0.038 0.000 1.127 209 E CA -0.458 55.897 56.400 -0.074 0.000 0.897 209 E CB 0.384 29.840 29.700 -0.407 0.000 1.043 209 E HN 0.354 nan 8.360 nan 0.000 0.410 210 K N 2.163 122.613 120.400 0.084 0.000 2.143 210 K HA 0.319 4.640 4.320 0.001 0.000 0.272 210 K C -0.497 176.162 176.600 0.099 0.000 1.001 210 K CA -0.793 55.532 56.287 0.064 0.000 0.915 210 K CB 1.904 34.439 32.500 0.058 0.000 1.047 210 K HN 0.228 nan 8.250 nan 0.000 0.458 211 V N 5.053 124.967 119.914 0.000 0.000 2.266 211 V HA 0.198 4.319 4.120 0.001 0.000 0.271 211 V C 0.245 176.287 176.094 -0.087 0.000 1.032 211 V CA -0.765 61.506 62.300 -0.048 0.000 0.806 211 V CB 0.511 32.146 31.823 -0.313 0.000 1.052 211 V HN 0.586 nan 8.190 nan 0.000 0.449 212 L N 4.992 126.164 121.223 -0.084 0.000 2.601 212 L HA 0.124 4.465 4.340 0.001 0.000 0.277 212 L C -0.096 176.691 176.870 -0.138 0.000 1.219 212 L CA 0.478 55.213 54.840 -0.175 0.000 0.915 212 L CB 0.206 42.139 42.059 -0.209 0.000 1.160 212 L HN 0.453 nan 8.230 nan 0.000 0.494 213 I N 3.540 124.010 120.570 -0.166 0.000 2.474 213 I HA 0.457 4.627 4.170 0.001 0.000 0.294 213 I C 0.378 176.420 176.117 -0.124 0.000 1.005 213 I CA -0.596 60.635 61.300 -0.114 0.000 1.113 213 I CB 1.613 39.578 38.000 -0.059 0.000 1.289 213 I HN 0.660 nan 8.210 nan 0.000 0.436 214 A N 6.800 129.570 122.820 -0.083 0.000 2.615 214 A HA 0.064 4.384 4.320 0.001 0.000 0.240 214 A C -0.213 177.323 177.584 -0.081 0.000 1.003 214 A CA 0.391 52.384 52.037 -0.073 0.000 0.778 214 A CB -0.300 18.677 19.000 -0.039 0.000 0.907 214 A HN 0.621 nan 8.150 nan 0.000 0.507 215 Q N 1.711 121.456 119.800 -0.092 0.000 2.368 215 Q HA 0.293 4.633 4.340 0.001 0.000 0.263 215 Q C -0.145 175.825 176.000 -0.051 0.000 1.009 215 Q CA -0.149 55.602 55.803 -0.088 0.000 0.818 215 Q CB 1.597 30.257 28.738 -0.131 0.000 1.239 215 Q HN 0.900 nan 8.270 nan 0.000 0.464 216 E N 2.469 122.656 120.200 -0.021 0.000 2.319 216 E HA 0.493 4.843 4.350 0.001 0.000 0.268 216 E C -0.519 176.077 176.600 -0.006 0.000 1.050 216 E CA -0.323 56.081 56.400 0.006 0.000 0.878 216 E CB 0.778 30.519 29.700 0.068 0.000 1.066 216 E HN 0.553 nan 8.360 nan 0.000 0.406 217 R N 0.130 120.625 120.500 -0.009 0.000 2.780 217 R HA 0.249 4.589 4.340 0.001 0.000 0.280 217 R C -1.513 174.773 176.300 -0.023 0.000 1.016 217 R CA -0.792 55.299 56.100 -0.015 0.000 0.854 217 R CB 0.545 30.829 30.300 -0.027 0.000 1.293 217 R HN 0.272 nan 8.270 nan 0.000 0.483 218 S N 0.363 116.051 115.700 -0.020 0.000 2.499 218 S HA 0.625 5.095 4.470 0.001 0.000 0.275 218 S C 0.377 174.942 174.600 -0.059 0.000 1.257 218 S CA 0.060 58.245 58.200 -0.025 0.000 1.050 218 S CB 0.194 63.395 63.200 0.000 0.000 0.937 218 S HN 0.848 nan 8.310 nan 0.000 0.490 219 A N 4.204 126.967 122.820 -0.095 0.000 2.504 219 A HA 0.516 4.837 4.320 0.001 0.000 0.242 219 A C 0.905 178.411 177.584 -0.130 0.000 1.100 219 A CA 0.354 52.302 52.037 -0.148 0.000 0.786 219 A CB -0.602 18.262 19.000 -0.227 0.000 1.050 219 A HN 1.072 nan 8.150 nan 0.000 0.512 220 G N -1.507 107.197 108.800 -0.160 0.000 2.820 220 G HA2 0.444 4.405 3.960 0.001 0.000 0.291 220 G HA3 0.444 4.405 3.960 0.001 0.000 0.291 220 G C -0.100 174.681 174.900 -0.198 0.000 1.323 220 G CA -0.337 44.674 45.100 -0.147 0.000 1.055 220 G HN 0.930 nan 8.290 nan 0.000 0.520 221 N N -0.992 117.561 118.700 -0.244 0.000 2.702 221 N HA -0.165 4.575 4.740 0.001 0.000 0.255 221 N C -0.540 174.822 175.510 -0.246 0.000 0.983 221 N CA 1.067 53.874 53.050 -0.405 0.000 0.768 221 N CB -0.870 37.323 38.487 -0.491 0.000 0.918 221 N HN 0.467 nan 8.380 nan 0.000 0.540 222 I N -0.349 120.130 120.570 -0.150 0.000 2.582 222 I HA 0.276 4.447 4.170 0.001 0.000 0.292 222 I C 0.258 176.333 176.117 -0.069 0.000 1.066 222 I CA -1.041 60.207 61.300 -0.086 0.000 1.053 222 I CB 2.291 40.235 38.000 -0.094 0.000 1.241 222 I HN -0.317 nan 8.210 nan 0.000 0.421 223 V N 5.680 125.553 119.914 -0.068 0.000 2.498 223 V HA 0.363 4.483 4.120 0.001 0.000 0.279 223 V C -0.123 175.852 176.094 -0.197 0.000 1.048 223 V CA -0.158 62.068 62.300 -0.124 0.000 0.967 223 V CB 1.031 32.750 31.823 -0.172 0.000 0.988 223 V HN 0.739 nan 8.190 nan 0.000 0.473 224 Q N 2.344 121.972 119.800 -0.287 0.000 2.391 224 Q HA 0.644 4.984 4.340 0.001 0.000 0.279 224 Q C -1.449 174.164 176.000 -0.645 0.000 1.028 224 Q CA -0.841 54.687 55.803 -0.458 0.000 0.836 224 Q CB 2.975 31.402 28.738 -0.518 0.000 1.414 224 Q HN 0.694 nan 8.270 nan 0.000 0.397 225 V N -1.298 118.215 119.914 -0.667 0.000 2.513 225 V HA 0.770 4.890 4.120 0.001 0.000 0.299 225 V C -0.998 174.750 176.094 -0.578 0.000 1.035 225 V CA -0.521 61.462 62.300 -0.527 0.000 0.889 225 V CB 0.834 32.491 31.823 -0.277 0.000 0.988 225 V HN 0.657 nan 8.190 nan 0.000 0.440 226 F N 1.562 121.463 119.950 -0.080 0.000 2.565 226 F HA 0.578 5.106 4.527 0.001 0.000 0.313 226 F C 0.362 176.089 175.800 -0.122 0.000 1.091 226 F CA -1.078 56.867 58.000 -0.091 0.000 0.915 226 F CB 2.557 41.523 39.000 -0.056 0.000 1.208 226 F HN 0.393 nan 8.300 nan 0.000 0.453 227 K N 3.290 123.718 120.400 0.048 0.000 2.297 227 K HA 0.258 4.578 4.320 0.001 0.000 0.286 227 K C -0.377 176.246 176.600 0.039 0.000 1.053 227 K CA -0.754 55.495 56.287 -0.064 0.000 0.940 227 K CB 0.852 33.272 32.500 -0.134 0.000 1.019 227 K HN 0.324 nan 8.250 nan 0.000 0.475 228 K N 1.661 122.111 120.400 0.084 0.000 2.118 228 K HA 0.272 4.592 4.320 0.001 0.000 0.267 228 K C 0.208 176.830 176.600 0.037 0.000 0.991 228 K CA -0.385 55.932 56.287 0.049 0.000 0.916 228 K CB 1.552 34.074 32.500 0.038 0.000 1.041 228 K HN 0.750 nan 8.250 nan 0.000 0.455 229 A N 1.542 124.368 122.820 0.011 0.000 2.582 229 A HA 0.060 4.380 4.320 0.001 0.000 0.248 229 A C 1.400 178.992 177.584 0.013 0.000 1.127 229 A CA 1.172 53.212 52.037 0.006 0.000 0.822 229 A CB -0.254 18.743 19.000 -0.005 0.000 1.069 229 A HN 0.820 nan 8.150 nan 0.000 0.522 230 A N 0.132 122.957 122.820 0.009 0.000 1.929 230 A HA 0.102 4.422 4.320 0.001 0.000 0.216 230 A C -0.386 177.201 177.584 0.005 0.000 1.176 230 A CA 1.412 53.455 52.037 0.010 0.000 0.628 230 A CB -1.173 17.831 19.000 0.008 0.000 0.816 230 A HN 0.706 nan 8.150 nan 0.000 0.444 231 P HA 0.152 nan 4.420 nan 0.000 0.235 231 P C -0.340 176.957 177.300 -0.004 0.000 1.725 231 P CA 0.391 63.491 63.100 0.000 0.000 0.894 231 P CB -0.146 31.553 31.700 -0.001 0.000 1.704 232 S N 1.913 117.609 115.700 -0.007 0.000 2.519 232 S HA 0.445 4.916 4.470 0.001 0.000 0.309 232 S C -1.511 173.070 174.600 -0.032 0.000 1.100 232 S CA -1.791 56.396 58.200 -0.022 0.000 1.059 232 S CB 1.501 64.686 63.200 -0.025 0.000 1.008 232 S HN -0.059 nan 8.310 nan 0.000 0.478 233 P HA 0.009 nan 4.420 nan 0.000 0.220 233 P C 0.224 177.462 177.300 -0.103 0.000 1.148 233 P CA 0.564 63.653 63.100 -0.018 0.000 0.803 233 P CB -0.005 31.716 31.700 0.036 0.000 0.782 234 I N -0.377 120.064 120.570 -0.215 0.000 2.713 234 I HA 0.091 4.261 4.170 0.001 0.000 0.300 234 I C 1.968 178.011 176.117 -0.123 0.000 1.009 234 I CA 0.129 61.251 61.300 -0.296 0.000 1.305 234 I CB 1.011 38.796 38.000 -0.360 0.000 1.430 234 I HN -0.156 nan 8.210 nan 0.000 0.546 235 S N 3.368 119.002 115.700 -0.111 0.000 2.440 235 S HA 0.255 4.725 4.470 0.001 0.000 0.194 235 S C 0.395 175.079 174.600 0.140 0.000 0.952 235 S CA 0.390 58.538 58.200 -0.086 0.000 0.898 235 S CB -0.082 62.932 63.200 -0.310 0.000 0.875 235 S HN 0.632 nan 8.310 nan 0.000 0.581 236 H N -0.857 118.190 119.070 -0.039 0.000 2.731 236 H HA 0.755 5.311 4.556 0.001 0.000 0.368 236 H C -1.483 173.824 175.328 -0.035 0.000 1.168 236 H CA -1.305 54.727 56.048 -0.026 0.000 1.181 236 H CB 2.080 31.825 29.762 -0.029 0.000 1.743 236 H HN 0.186 nan 8.280 nan 0.000 0.547 237 V N 0.720 120.699 119.914 0.109 0.000 2.841 237 V HA 0.569 4.690 4.120 0.001 0.000 0.310 237 V C -0.825 175.247 176.094 -0.037 0.000 1.090 237 V CA -0.850 61.472 62.300 0.038 0.000 0.930 237 V CB 1.846 33.699 31.823 0.050 0.000 1.014 237 V HN 0.911 nan 8.190 nan 0.000 0.425 238 A N 3.287 126.069 122.820 -0.063 0.000 2.310 238 A HA 0.812 5.132 4.320 0.001 0.000 0.304 238 A C -0.422 177.101 177.584 -0.101 0.000 1.231 238 A CA -0.511 51.439 52.037 -0.145 0.000 0.799 238 A CB 0.554 19.468 19.000 -0.145 0.000 1.162 238 A HN 0.846 nan 8.150 nan 0.000 0.486 239 E N 1.194 121.315 120.200 -0.133 0.000 2.235 239 E HA 0.724 5.074 4.350 0.001 0.000 0.265 239 E C -1.159 175.400 176.600 -0.068 0.000 0.940 239 E CA -0.701 55.667 56.400 -0.053 0.000 0.819 239 E CB 2.804 32.516 29.700 0.021 0.000 1.206 239 E HN 0.619 nan 8.360 nan 0.000 0.409 240 I N 0.999 121.555 120.570 -0.024 0.000 2.627 240 I HA 0.280 4.450 4.170 0.001 0.000 0.288 240 I C -1.463 174.633 176.117 -0.035 0.000 1.202 240 I CA -0.558 60.727 61.300 -0.024 0.000 1.050 240 I CB 1.191 39.217 38.000 0.044 0.000 1.264 240 I HN 0.448 nan 8.210 nan 0.000 0.429 241 R N 4.886 125.351 120.500 -0.059 0.000 2.297 241 R HA 0.514 4.854 4.340 0.001 0.000 0.308 241 R C -0.555 175.671 176.300 -0.123 0.000 1.029 241 R CA -0.497 55.566 56.100 -0.061 0.000 0.929 241 R CB 1.427 31.701 30.300 -0.044 0.000 1.046 241 R HN 0.652 nan 8.270 nan 0.000 0.461 242 S N 0.869 116.512 115.700 -0.095 0.000 2.552 242 S HA 0.776 5.246 4.470 0.001 0.000 0.314 242 S C -0.710 173.871 174.600 -0.033 0.000 1.099 242 S CA -0.940 57.180 58.200 -0.133 0.000 1.070 242 S CB 2.118 65.276 63.200 -0.071 0.000 0.998 242 S HN 0.693 nan 8.310 nan 0.000 0.474 243 A N 3.317 126.111 122.820 -0.043 0.000 2.398 243 A HA 0.679 5.000 4.320 0.001 0.000 0.301 243 A C -0.588 177.002 177.584 0.011 0.000 1.041 243 A CA -0.851 51.196 52.037 0.016 0.000 0.711 243 A CB 0.878 19.884 19.000 0.010 0.000 1.240 243 A HN 0.868 nan 8.150 nan 0.000 0.420 244 L N 2.303 123.541 121.223 0.025 0.000 2.562 244 L HA 0.031 4.371 4.340 0.001 0.000 0.271 244 L C 1.796 178.669 176.870 0.005 0.000 1.167 244 L CA 0.158 54.998 54.840 -0.001 0.000 0.917 244 L CB 0.410 42.446 42.059 -0.039 0.000 1.187 244 L HN 1.043 nan 8.230 nan 0.000 0.482 245 E N 3.131 123.333 120.200 0.004 0.000 2.187 245 E HA -0.178 4.172 4.350 0.001 0.000 0.199 245 E C -0.202 176.408 176.600 0.016 0.000 1.004 245 E CA 1.461 57.866 56.400 0.008 0.000 0.813 245 E CB 0.312 30.019 29.700 0.012 0.000 0.736 245 E HN 0.515 nan 8.360 nan 0.000 0.468 246 K N -1.845 118.561 120.400 0.010 0.000 2.557 246 K HA 0.452 4.772 4.320 0.001 0.000 0.261 246 K C -1.081 175.514 176.600 -0.008 0.000 0.932 246 K CA -0.064 56.231 56.287 0.014 0.000 0.829 246 K CB 2.287 34.799 32.500 0.020 0.000 1.358 246 K HN 0.109 nan 8.250 nan 0.000 0.430 247 G N 1.220 110.014 108.800 -0.010 0.000 2.826 247 G HA2 -0.055 3.905 3.960 0.001 0.000 0.623 247 G HA3 -0.055 3.905 3.960 0.001 0.000 0.623 247 G C 0.204 175.060 174.900 -0.074 0.000 1.127 247 G CA 0.347 45.420 45.100 -0.043 0.000 1.165 247 G HN 0.859 nan 8.290 nan 0.000 0.504 248 S N 1.037 116.710 115.700 -0.044 0.000 2.115 248 S HA -0.353 4.117 4.470 0.001 0.000 0.227 248 S C 1.353 176.007 174.600 0.090 0.000 1.127 248 S CA 2.438 60.629 58.200 -0.015 0.000 1.645 248 S CB -1.225 61.870 63.200 -0.175 0.000 2.159 248 S HN 2.396 nan 8.310 nan 0.000 0.584 249 R N 0.139 120.667 120.500 0.047 0.000 3.022 249 R HA -0.135 4.205 4.340 0.001 0.000 0.248 249 R C -0.260 176.192 176.300 0.253 0.000 0.874 249 R CA 1.078 57.242 56.100 0.106 0.000 0.626 249 R CB -2.348 28.003 30.300 0.084 0.000 1.255 249 R HN 0.568 nan 8.270 nan 0.000 0.496 250 F N 1.434 121.387 119.950 0.006 0.000 2.495 250 F HA 0.160 4.687 4.527 0.001 0.000 0.365 250 F C 1.633 177.438 175.800 0.008 0.000 1.090 250 F CA -0.580 57.430 58.000 0.015 0.000 1.235 250 F CB 0.698 39.711 39.000 0.023 0.000 1.119 250 F HN 0.204 nan 8.300 nan 0.000 0.562 251 I N 3.862 124.515 120.570 0.138 0.000 2.779 251 I HA 0.070 4.241 4.170 0.001 0.000 0.294 251 I C -0.494 175.643 176.117 0.033 0.000 1.241 251 I CA -0.211 61.128 61.300 0.066 0.000 1.069 251 I CB 0.247 38.267 38.000 0.034 0.000 1.772 251 I HN 0.388 nan 8.210 nan 0.000 0.582 252 S N 1.369 117.104 115.700 0.059 0.000 2.422 252 S HA 0.479 4.950 4.470 0.001 0.000 0.298 252 S C 0.268 174.886 174.600 0.029 0.000 1.118 252 S CA -0.606 57.619 58.200 0.043 0.000 1.083 252 S CB 1.181 64.433 63.200 0.086 0.000 0.971 252 S HN 0.303 nan 8.310 nan 0.000 0.478 253 T N 3.045 117.608 114.554 0.016 0.000 2.754 253 T HA 0.492 4.842 4.350 0.001 0.000 0.286 253 T C -0.503 174.205 174.700 0.014 0.000 0.997 253 T CA -0.460 61.645 62.100 0.008 0.000 0.982 253 T CB 0.286 69.161 68.868 0.012 0.000 1.027 253 T HN 0.592 nan 8.240 nan 0.000 0.529 254 L N 1.348 122.577 121.223 0.010 0.000 2.482 254 L HA 0.357 4.697 4.340 0.001 0.000 0.269 254 L C -0.872 176.014 176.870 0.026 0.000 0.967 254 L CA -0.243 54.606 54.840 0.015 0.000 0.851 254 L CB 1.750 43.798 42.059 -0.018 0.000 1.242 254 L HN 0.566 nan 8.230 nan 0.000 0.404 255 Q N 3.241 123.067 119.800 0.043 0.000 2.241 255 Q HA 0.653 4.993 4.340 0.001 0.000 0.254 255 Q C -1.083 174.952 176.000 0.059 0.000 0.917 255 Q CA -0.664 55.166 55.803 0.045 0.000 0.919 255 Q CB 2.576 31.344 28.738 0.051 0.000 1.237 255 Q HN 0.523 nan 8.270 nan 0.000 0.434 256 V N 3.639 123.580 119.914 0.044 0.000 2.383 256 V HA 0.177 4.297 4.120 0.001 0.000 0.261 256 V C 0.000 176.126 176.094 0.053 0.000 0.987 256 V CA -0.597 61.738 62.300 0.059 0.000 0.853 256 V CB 0.501 32.346 31.823 0.035 0.000 1.095 256 V HN 0.682 nan 8.190 nan 0.000 0.461 257 K N 1.847 122.290 120.400 0.072 0.000 2.293 257 K HA 0.391 4.712 4.320 0.001 0.000 0.248 257 K C -0.103 176.532 176.600 0.058 0.000 1.094 257 K CA -0.151 56.155 56.287 0.033 0.000 0.824 257 K CB 0.326 32.820 32.500 -0.011 0.000 1.106 257 K HN 0.350 nan 8.250 nan 0.000 0.514 258 L N 0.517 121.746 121.223 0.010 0.000 2.363 258 L HA 0.216 4.556 4.340 0.001 0.000 0.266 258 L C -1.526 175.360 176.870 0.026 0.000 1.494 258 L CA -0.189 54.679 54.840 0.046 0.000 0.704 258 L CB -0.383 41.668 42.059 -0.012 0.000 0.916 258 L HN 0.425 nan 8.230 nan 0.000 0.527 259 Y N 1.390 121.690 120.300 -0.000 0.000 2.844 259 Y HA 0.340 4.890 4.550 0.001 0.000 0.350 259 Y C 1.627 177.513 175.900 -0.024 0.000 1.277 259 Y CA 1.478 59.576 58.100 -0.003 0.000 1.478 259 Y CB 0.229 38.696 38.460 0.011 0.000 1.346 259 Y HN 0.740 nan 8.280 nan 0.000 0.660 260 G N 1.308 110.184 108.800 0.128 0.000 2.830 260 G HA2 -0.115 3.845 3.960 0.001 0.000 0.298 260 G HA3 -0.115 3.845 3.960 0.001 0.000 0.298 260 G C -0.576 174.316 174.900 -0.013 0.000 1.031 260 G CA -0.801 44.329 45.100 0.051 0.000 1.179 260 G HN 0.643 nan 8.290 nan 0.000 0.527 261 R N 0.785 121.279 120.500 -0.010 0.000 2.734 261 R HA 0.314 4.654 4.340 0.001 0.000 0.266 261 R C 1.081 177.360 176.300 -0.035 0.000 1.044 261 R CA 0.003 56.085 56.100 -0.030 0.000 1.128 261 R CB 0.365 30.659 30.300 -0.009 0.000 1.010 261 R HN 0.672 nan 8.270 nan 0.000 0.461 262 E N 1.592 121.764 120.200 -0.046 0.000 2.614 262 E HA 0.049 4.399 4.350 0.001 0.000 0.245 262 E C 0.324 176.913 176.600 -0.018 0.000 1.039 262 E CA 1.091 57.467 56.400 -0.039 0.000 0.948 262 E CB -0.252 29.432 29.700 -0.028 0.000 0.937 262 E HN 0.749 nan 8.360 nan 0.000 0.498 263 G N 3.385 112.176 108.800 -0.016 0.000 3.038 263 G HA2 -0.270 3.691 3.960 0.001 0.000 0.197 263 G HA3 -0.270 3.691 3.960 0.001 0.000 0.197 263 G C 0.009 174.907 174.900 -0.003 0.000 1.925 263 G CA -0.121 44.976 45.100 -0.006 0.000 1.405 263 G HN 0.925 nan 8.290 nan 0.000 0.524 264 S N 2.114 117.813 115.700 -0.000 0.000 2.498 264 S HA 0.569 5.040 4.470 0.001 0.000 0.281 264 S C 1.038 175.641 174.600 0.004 0.000 1.265 264 S CA 0.777 58.981 58.200 0.006 0.000 1.071 264 S CB 1.106 64.313 63.200 0.013 0.000 0.894 264 S HN 1.801 nan 8.310 nan 0.000 0.491 265 S N 3.423 119.126 115.700 0.004 0.000 2.536 265 S HA 0.526 4.996 4.470 0.001 0.000 0.248 265 S C 1.085 175.691 174.600 0.010 0.000 1.287 265 S CA -0.429 57.772 58.200 0.002 0.000 0.978 265 S CB -1.079 62.122 63.200 0.001 0.000 0.992 265 S HN 2.443 nan 8.310 nan 0.000 0.539 266 A N -0.891 121.934 122.820 0.007 0.000 2.914 266 A HA -0.128 4.193 4.320 0.001 0.000 0.280 266 A C 0.751 178.352 177.584 0.028 0.000 1.447 266 A CA 0.417 52.462 52.037 0.013 0.000 0.759 266 A CB -2.039 16.970 19.000 0.014 0.000 1.034 266 A HN 0.547 nan 8.150 nan 0.000 0.529 267 R N 0.725 121.236 120.500 0.018 0.000 4.806 267 R HA 0.006 4.346 4.340 0.001 0.000 0.194 267 R C 0.894 177.222 176.300 0.046 0.000 2.211 267 R CA 0.903 57.016 56.100 0.023 0.000 1.801 267 R CB -1.292 29.002 30.300 -0.010 0.000 1.251 267 R HN 0.810 nan 8.270 nan 0.000 0.747 268 T N 0.730 115.321 114.554 0.062 0.000 2.758 268 T HA 0.053 4.403 4.350 0.001 0.000 0.281 268 T C 0.690 175.462 174.700 0.122 0.000 0.963 268 T CA -0.133 62.004 62.100 0.062 0.000 1.201 268 T CB -0.128 68.744 68.868 0.006 0.000 0.906 268 T HN 0.215 nan 8.240 nan 0.000 0.528 269 I N 6.100 126.734 120.570 0.106 0.000 2.416 269 I HA 0.340 4.511 4.170 0.001 0.000 0.288 269 I C 0.701 176.910 176.117 0.154 0.000 1.051 269 I CA -0.225 61.156 61.300 0.135 0.000 1.375 269 I CB 0.713 38.776 38.000 0.105 0.000 1.407 269 I HN 0.575 nan 8.210 nan 0.000 0.516 270 K N 4.926 125.453 120.400 0.211 0.000 2.443 270 K HA 0.875 5.196 4.320 0.001 0.000 0.251 270 K C -1.276 175.439 176.600 0.192 0.000 0.972 270 K CA -0.890 55.517 56.287 0.200 0.000 0.833 270 K CB 2.718 35.348 32.500 0.217 0.000 1.317 270 K HN 0.631 nan 8.250 nan 0.000 0.441 271 A N 1.047 123.963 122.820 0.161 0.000 2.427 271 A HA 0.537 4.857 4.320 0.001 0.000 0.298 271 A C -0.826 176.840 177.584 0.137 0.000 1.036 271 A CA -0.707 51.414 52.037 0.141 0.000 0.701 271 A CB 1.285 20.365 19.000 0.133 0.000 1.250 271 A HN 0.559 nan 8.150 nan 0.000 0.412 272 T N 2.136 116.764 114.554 0.122 0.000 2.909 272 T HA 0.626 4.977 4.350 0.001 0.000 0.289 272 T C -0.133 174.634 174.700 0.113 0.000 1.005 272 T CA -0.102 62.063 62.100 0.108 0.000 1.084 272 T CB 0.486 69.407 68.868 0.089 0.000 0.975 272 T HN 0.464 nan 8.240 nan 0.000 0.509 273 L N 3.132 124.423 121.223 0.113 0.000 2.401 273 L HA 0.465 4.806 4.340 0.001 0.000 0.266 273 L C -2.298 174.652 176.870 0.133 0.000 0.991 273 L CA -2.809 52.115 54.840 0.140 0.000 0.818 273 L CB 2.307 44.470 42.059 0.173 0.000 1.321 273 L HN 0.395 nan 8.230 nan 0.000 0.413 274 P HA -0.062 nan 4.420 nan 0.000 0.261 274 P C -0.591 176.936 177.300 0.378 0.000 1.183 274 P CA 0.604 63.837 63.100 0.223 0.000 0.761 274 P CB 0.247 32.104 31.700 0.262 0.000 0.785 275 Y N -0.218 120.108 120.300 0.044 0.000 4.894 275 Y HA -0.225 4.325 4.550 0.001 0.000 0.270 275 Y C 1.069 177.024 175.900 0.091 0.000 0.930 275 Y CA 0.379 58.529 58.100 0.085 0.000 1.814 275 Y CB -2.176 36.368 38.460 0.139 0.000 1.235 275 Y HN 0.363 nan 8.280 nan 0.000 0.480 276 I N 2.725 123.393 120.570 0.163 0.000 2.294 276 I HA 0.014 4.184 4.170 0.001 0.000 0.295 276 I C 0.695 176.850 176.117 0.062 0.000 1.098 276 I CA -0.004 61.352 61.300 0.094 0.000 1.277 276 I CB 0.534 38.568 38.000 0.057 0.000 1.434 276 I HN 0.041 nan 8.210 nan 0.000 0.498 277 K N 6.540 126.974 120.400 0.058 0.000 3.271 277 K HA 0.011 4.332 4.320 0.001 0.000 0.281 277 K C -0.000 176.609 176.600 0.015 0.000 1.000 277 K CA 0.249 56.552 56.287 0.027 0.000 1.087 277 K CB -0.212 32.302 32.500 0.023 0.000 1.214 277 K HN 0.573 nan 8.250 nan 0.000 0.313 278 Q N -0.483 119.332 119.800 0.025 0.000 3.109 278 Q HA 0.018 4.359 4.340 0.001 0.000 0.332 278 Q C -1.901 174.131 176.000 0.053 0.000 0.848 278 Q CA -0.687 55.134 55.803 0.031 0.000 0.904 278 Q CB 0.897 29.636 28.738 0.002 0.000 1.475 278 Q HN 0.168 nan 8.270 nan 0.000 0.510 279 D N 0.838 121.281 120.400 0.072 0.000 2.268 279 D HA 0.611 5.251 4.640 0.001 0.000 0.249 279 D C -0.475 175.877 176.300 0.087 0.000 1.008 279 D CA -0.123 53.939 54.000 0.103 0.000 0.939 279 D CB 1.156 42.057 40.800 0.170 0.000 1.170 279 D HN 0.403 nan 8.370 nan 0.000 0.468 280 I N 1.394 122.028 120.570 0.107 0.000 2.545 280 I HA 0.205 4.376 4.170 0.001 0.000 0.292 280 I C -2.442 173.746 176.117 0.118 0.000 1.040 280 I CA -2.263 59.108 61.300 0.118 0.000 1.068 280 I CB 2.927 40.992 38.000 0.107 0.000 1.251 280 I HN -0.053 nan 8.210 nan 0.000 0.424 281 P HA 0.159 nan 4.420 nan 0.000 0.279 281 P C 1.196 178.570 177.300 0.124 0.000 1.318 281 P CA -0.178 62.983 63.100 0.102 0.000 0.819 281 P CB 0.334 32.078 31.700 0.074 0.000 0.927 282 I N 1.424 122.078 120.570 0.140 0.000 2.317 282 I HA -0.394 3.776 4.170 0.001 0.000 0.252 282 I C 1.420 177.687 176.117 0.250 0.000 1.018 282 I CA 1.730 63.132 61.300 0.171 0.000 1.330 282 I CB -1.685 36.461 38.000 0.244 0.000 1.014 282 I HN 0.012 nan 8.210 nan 0.000 0.439 283 V N 2.085 122.135 119.914 0.226 0.000 2.215 283 V HA -0.336 3.785 4.120 0.001 0.000 0.246 283 V C 2.583 178.789 176.094 0.187 0.000 1.047 283 V CA 2.754 65.187 62.300 0.223 0.000 0.999 283 V CB -0.876 31.026 31.823 0.132 0.000 0.635 283 V HN 0.478 nan 8.190 nan 0.000 0.450 284 I N -0.094 120.544 120.570 0.113 0.000 2.191 284 I HA -0.379 3.792 4.170 0.001 0.000 0.248 284 I C 2.341 178.498 176.117 0.066 0.000 1.061 284 I CA 2.209 63.559 61.300 0.084 0.000 1.329 284 I CB -0.607 37.463 38.000 0.117 0.000 1.024 284 I HN 0.321 nan 8.210 nan 0.000 0.423 285 I N 0.106 120.695 120.570 0.033 0.000 2.076 285 I HA -0.328 3.842 4.170 0.001 0.000 0.237 285 I C 2.481 178.532 176.117 -0.110 0.000 1.059 285 I CA 1.827 63.063 61.300 -0.107 0.000 1.317 285 I CB -0.685 37.188 38.000 -0.212 0.000 1.037 285 I HN 0.044 nan 8.210 nan 0.000 0.398 286 F N 0.925 120.854 119.950 -0.034 0.000 2.214 286 F HA -0.284 4.244 4.527 0.001 0.000 0.302 286 F C 2.696 178.470 175.800 -0.043 0.000 1.063 286 F CA 1.485 59.456 58.000 -0.048 0.000 1.319 286 F CB -0.334 38.660 39.000 -0.011 0.000 1.046 286 F HN 0.011 nan 8.300 nan 0.000 0.505 287 R N -0.729 119.860 120.500 0.149 0.000 2.112 287 R HA 0.074 4.414 4.340 0.001 0.000 0.216 287 R C 2.459 178.777 176.300 0.029 0.000 1.080 287 R CA 0.769 56.919 56.100 0.083 0.000 0.996 287 R CB -0.527 29.811 30.300 0.064 0.000 0.902 287 R HN 0.222 nan 8.270 nan 0.000 0.449 288 A N 1.387 124.204 122.820 -0.006 0.000 1.933 288 A HA -0.139 4.182 4.320 0.001 0.000 0.218 288 A C 2.108 179.650 177.584 -0.070 0.000 1.175 288 A CA 1.161 53.170 52.037 -0.045 0.000 0.628 288 A CB -0.508 18.440 19.000 -0.087 0.000 0.814 288 A HN 0.178 nan 8.150 nan 0.000 0.444 289 L N -1.661 119.506 121.223 -0.093 0.000 2.083 289 L HA 0.009 4.349 4.340 0.001 0.000 0.209 289 L C 1.620 178.486 176.870 -0.006 0.000 1.083 289 L CA 1.179 55.968 54.840 -0.085 0.000 0.752 289 L CB -0.177 41.822 42.059 -0.099 0.000 0.899 289 L HN 0.648 nan 8.230 nan 0.000 0.433 290 G N -0.212 108.604 108.800 0.026 0.000 2.247 290 G HA2 -0.137 3.823 3.960 0.001 0.000 0.111 290 G HA3 -0.137 3.823 3.960 0.001 0.000 0.111 290 G C -0.053 174.893 174.900 0.076 0.000 1.045 290 G CA -0.538 44.589 45.100 0.044 0.000 0.715 290 G HN 0.201 nan 8.290 nan 0.000 0.485 291 I N 1.263 121.893 120.570 0.100 0.000 2.953 291 I HA 0.253 4.423 4.170 0.001 0.000 0.325 291 I C 1.790 177.972 176.117 0.108 0.000 1.421 291 I CA -0.625 60.753 61.300 0.130 0.000 0.845 291 I CB 0.181 38.286 38.000 0.176 0.000 2.186 291 I HN 0.159 nan 8.210 nan 0.000 0.604 292 I N 2.488 123.104 120.570 0.076 0.000 2.300 292 I HA -0.127 4.043 4.170 0.001 0.000 0.252 292 I C -1.084 175.061 176.117 0.047 0.000 1.119 292 I CA 0.948 62.281 61.300 0.055 0.000 1.384 292 I CB -1.257 36.764 38.000 0.035 0.000 1.062 292 I HN 0.300 nan 8.210 nan 0.000 0.426 293 P HA 0.188 nan 4.420 nan 0.000 0.288 293 P C -0.908 176.409 177.300 0.027 0.000 1.267 293 P CA -0.231 62.890 63.100 0.036 0.000 0.815 293 P CB 1.084 32.803 31.700 0.032 0.000 0.989 294 D N 1.148 121.566 120.400 0.030 0.000 2.314 294 D HA 0.190 4.830 4.640 0.001 0.000 0.252 294 D C 1.821 178.120 176.300 -0.001 0.000 1.295 294 D CA 0.859 54.870 54.000 0.018 0.000 0.995 294 D CB -0.613 40.209 40.800 0.037 0.000 1.125 294 D HN 0.658 nan 8.370 nan 0.000 0.537 295 G N -0.342 108.450 108.800 -0.013 0.000 2.650 295 G HA2 -0.471 3.489 3.960 0.001 0.000 0.245 295 G HA3 -0.471 3.489 3.960 0.001 0.000 0.245 295 G C 1.054 175.932 174.900 -0.036 0.000 1.044 295 G CA 1.349 46.438 45.100 -0.019 0.000 0.669 295 G HN 0.607 nan 8.290 nan 0.000 0.548 296 E N -0.091 120.087 120.200 -0.037 0.000 2.307 296 E HA 0.298 4.649 4.350 0.001 0.000 0.195 296 E C 2.524 179.057 176.600 -0.111 0.000 0.975 296 E CA 0.249 56.611 56.400 -0.062 0.000 0.878 296 E CB -0.056 29.643 29.700 -0.000 0.000 0.845 296 E HN 0.597 nan 8.360 nan 0.000 0.488 297 I N 1.060 121.572 120.570 -0.097 0.000 2.546 297 I HA -0.175 3.996 4.170 0.001 0.000 0.255 297 I C 1.769 177.699 176.117 -0.312 0.000 1.163 297 I CA 0.365 61.509 61.300 -0.260 0.000 1.457 297 I CB 0.064 37.925 38.000 -0.231 0.000 1.092 297 I HN 0.276 nan 8.210 nan 0.000 0.434 298 L N 0.292 121.420 121.223 -0.158 0.000 2.240 298 L HA -0.098 4.242 4.340 0.001 0.000 0.211 298 L C 2.277 179.111 176.870 -0.061 0.000 1.106 298 L CA 1.506 56.288 54.840 -0.097 0.000 0.793 298 L CB -0.965 41.069 42.059 -0.042 0.000 0.927 298 L HN 0.318 nan 8.230 nan 0.000 0.446 299 E N -0.732 119.402 120.200 -0.110 0.000 2.077 299 E HA -0.216 4.135 4.350 0.001 0.000 0.193 299 E C 2.027 178.653 176.600 0.044 0.000 0.989 299 E CA 0.923 57.298 56.400 -0.043 0.000 0.800 299 E CB -0.009 29.598 29.700 -0.154 0.000 0.746 299 E HN 0.552 nan 8.360 nan 0.000 0.452 300 H N -0.155 118.906 119.070 -0.015 0.000 2.456 300 H HA -0.063 4.494 4.556 0.001 0.000 0.296 300 H C 2.068 177.571 175.328 0.292 0.000 1.079 300 H CA 0.961 57.021 56.048 0.020 0.000 1.322 300 H CB 0.119 29.708 29.762 -0.287 0.000 1.388 300 H HN 0.242 nan 8.280 nan 0.000 0.538 301 I N -0.715 119.964 120.570 0.180 0.000 2.628 301 I HA -0.044 4.126 4.170 0.001 0.000 0.255 301 I C 0.768 176.815 176.117 -0.117 0.000 1.119 301 I CA 0.273 61.609 61.300 0.061 0.000 1.448 301 I CB 0.679 38.694 38.000 0.025 0.000 1.133 301 I HN 0.056 nan 8.210 nan 0.000 0.438 302 C N 1.342 120.630 119.300 -0.020 0.000 2.293 302 C HA 0.336 4.796 4.460 0.001 0.000 0.323 302 C C 0.359 175.467 174.990 0.197 0.000 1.240 302 C CA -0.477 58.520 59.018 -0.034 0.000 1.497 302 C CB -0.748 26.995 27.740 0.006 0.000 2.171 302 C HN 0.369 nan 8.230 nan 0.000 0.465 303 Y N 3.850 124.262 120.300 0.188 0.000 2.955 303 Y HA 0.316 4.866 4.550 0.001 0.000 0.386 303 Y C 0.768 176.770 175.900 0.169 0.000 1.069 303 Y CA -0.464 57.776 58.100 0.234 0.000 1.764 303 Y CB -0.046 38.594 38.460 0.301 0.000 1.646 303 Y HN 0.644 nan 8.280 nan 0.000 0.486 304 D N 0.051 120.599 120.400 0.245 0.000 2.115 304 D HA -0.020 4.620 4.640 0.001 0.000 0.161 304 D C -1.002 175.370 176.300 0.119 0.000 1.181 304 D CA -0.174 53.925 54.000 0.166 0.000 0.868 304 D CB 1.142 42.025 40.800 0.139 0.000 2.440 304 D HN -0.007 nan 8.370 nan 0.000 0.502 305 V N 4.472 124.446 119.914 0.100 0.000 3.099 305 V HA 0.258 4.378 4.120 0.001 0.000 0.387 305 V C 0.962 177.106 176.094 0.083 0.000 1.358 305 V CA 0.095 62.438 62.300 0.072 0.000 1.528 305 V CB -0.773 31.068 31.823 0.029 0.000 1.342 305 V HN 0.456 nan 8.190 nan 0.000 0.513 306 N N -0.168 118.598 118.700 0.110 0.000 2.011 306 N HA 0.011 4.752 4.740 0.001 0.000 0.228 306 N C 0.645 176.288 175.510 0.221 0.000 1.378 306 N CA -0.095 53.045 53.050 0.150 0.000 0.852 306 N CB 0.608 39.165 38.487 0.118 0.000 1.111 306 N HN 0.374 nan 8.380 nan 0.000 0.497 307 D N 2.304 122.785 120.400 0.134 0.000 2.885 307 D HA -0.043 4.598 4.640 0.001 0.000 0.234 307 D C 1.613 177.916 176.300 0.005 0.000 1.129 307 D CA -0.543 53.486 54.000 0.048 0.000 0.991 307 D CB -0.379 40.415 40.800 -0.009 0.000 1.137 307 D HN 0.305 nan 8.370 nan 0.000 0.459 308 W N 1.219 122.520 121.300 0.003 0.000 2.285 308 W HA -0.287 4.373 4.660 0.001 0.000 0.290 308 W C 1.031 177.548 176.519 -0.004 0.000 1.217 308 W CA 0.477 57.821 57.345 -0.002 0.000 1.207 308 W CB -0.849 28.610 29.460 -0.003 0.000 1.136 308 W HN 0.244 nan 8.180 nan 0.000 0.546 309 Q N 0.671 119.927 119.800 -0.907 0.000 1.967 309 Q HA -0.234 4.106 4.340 0.001 0.000 0.202 309 Q C 2.504 178.286 176.000 -0.363 0.000 0.985 309 Q CA 2.199 57.483 55.803 -0.865 0.000 0.839 309 Q CB -0.794 27.432 28.738 -0.855 0.000 0.906 309 Q HN 0.406 nan 8.270 nan 0.000 0.423 310 M N 0.884 120.331 119.600 -0.256 0.000 2.088 310 M HA -0.251 4.229 4.480 0.001 0.000 0.256 310 M C 2.038 178.283 176.300 -0.093 0.000 1.071 310 M CA 1.587 56.801 55.300 -0.145 0.000 1.097 310 M CB -0.185 32.348 32.600 -0.111 0.000 1.315 310 M HN 0.155 nan 8.290 nan 0.000 0.406 311 L N -0.257 120.930 121.223 -0.059 0.000 1.933 311 L HA -0.291 4.050 4.340 0.001 0.000 0.220 311 L C 2.371 179.233 176.870 -0.013 0.000 1.078 311 L CA 1.930 56.764 54.840 -0.009 0.000 0.773 311 L CB -1.342 40.743 42.059 0.044 0.000 0.890 311 L HN 0.368 nan 8.230 nan 0.000 0.434 312 E N 0.518 120.718 120.200 0.000 0.000 2.351 312 E HA -0.353 3.997 4.350 0.001 0.000 0.249 312 E C 2.010 178.600 176.600 -0.017 0.000 1.062 312 E CA 2.795 59.200 56.400 0.008 0.000 1.066 312 E CB -0.599 29.082 29.700 -0.031 0.000 0.955 312 E HN 0.329 nan 8.360 nan 0.000 0.504 313 M N -0.427 119.141 119.600 -0.052 0.000 2.089 313 M HA -0.234 4.246 4.480 0.001 0.000 0.257 313 M C 2.505 178.795 176.300 -0.017 0.000 1.071 313 M CA 1.961 57.237 55.300 -0.040 0.000 1.096 313 M CB -0.589 31.975 32.600 -0.059 0.000 1.330 313 M HN 0.218 nan 8.290 nan 0.000 0.403 314 L N -0.147 121.067 121.223 -0.015 0.000 2.189 314 L HA -0.255 4.085 4.340 0.001 0.000 0.214 314 L C 2.528 179.402 176.870 0.007 0.000 1.097 314 L CA 1.148 55.990 54.840 0.003 0.000 0.764 314 L CB -0.863 41.196 42.059 0.001 0.000 0.900 314 L HN 0.345 nan 8.230 nan 0.000 0.436 315 K N 0.276 120.677 120.400 0.001 0.000 1.990 315 K HA -0.221 4.100 4.320 0.001 0.000 0.225 315 K C -0.178 176.417 176.600 -0.010 0.000 1.053 315 K CA 2.260 58.545 56.287 -0.004 0.000 0.982 315 K CB -1.633 30.865 32.500 -0.003 0.000 0.734 315 K HN 0.294 nan 8.250 nan 0.000 0.448 316 P HA -0.229 nan 4.420 nan 0.000 0.217 316 P C 1.793 179.095 177.300 0.002 0.000 1.151 316 P CA 1.466 64.559 63.100 -0.013 0.000 0.849 316 P CB -0.328 31.368 31.700 -0.008 0.000 0.787 317 C N -0.361 118.949 119.300 0.017 0.000 2.403 317 C HA -0.098 4.362 4.460 0.001 0.000 0.279 317 C C 2.777 177.795 174.990 0.046 0.000 1.269 317 C CA 0.906 59.946 59.018 0.038 0.000 1.774 317 C CB -1.640 26.131 27.740 0.051 0.000 1.993 317 C HN 0.067 nan 8.230 nan 0.000 0.496 318 V N 0.714 120.648 119.914 0.035 0.000 2.255 318 V HA -0.177 3.943 4.120 0.001 0.000 0.243 318 V C 2.377 178.508 176.094 0.061 0.000 1.038 318 V CA 2.301 64.630 62.300 0.049 0.000 1.008 318 V CB -0.984 30.857 31.823 0.029 0.000 0.645 318 V HN 0.536 nan 8.190 nan 0.000 0.449 319 E N 0.091 120.292 120.200 0.001 0.000 2.219 319 E HA -0.295 4.056 4.350 0.001 0.000 0.198 319 E C 1.894 178.533 176.600 0.065 0.000 0.998 319 E CA 1.307 57.687 56.400 -0.033 0.000 0.818 319 E CB -0.261 29.363 29.700 -0.127 0.000 0.741 319 E HN 0.588 nan 8.360 nan 0.000 0.477 320 D N 0.503 120.929 120.400 0.044 0.000 2.108 320 D HA -0.134 4.507 4.640 0.001 0.000 0.190 320 D C 1.863 178.188 176.300 0.042 0.000 0.995 320 D CA 1.645 55.666 54.000 0.036 0.000 0.834 320 D CB -0.457 40.361 40.800 0.030 0.000 0.967 320 D HN 0.229 nan 8.370 nan 0.000 0.446 321 G N -1.065 107.769 108.800 0.057 0.000 3.124 321 G HA2 -0.123 3.837 3.960 0.001 0.000 0.212 321 G HA3 -0.123 3.837 3.960 0.001 0.000 0.212 321 G C 1.128 176.061 174.900 0.055 0.000 1.181 321 G CA -0.253 44.858 45.100 0.019 0.000 0.803 321 G HN 0.214 nan 8.290 nan 0.000 0.529 322 F N 1.541 121.457 119.950 -0.058 0.000 2.120 322 F HA -0.162 4.365 4.527 0.001 0.000 0.300 322 F C 2.248 178.009 175.800 -0.066 0.000 1.095 322 F CA 1.269 59.240 58.000 -0.049 0.000 1.249 322 F CB -0.030 38.947 39.000 -0.038 0.000 0.995 322 F HN 0.034 nan 8.300 nan 0.000 0.480 323 V N 0.991 120.837 119.914 -0.114 0.000 3.541 323 V HA -0.063 4.057 4.120 0.001 0.000 0.272 323 V C 0.899 176.845 176.094 -0.247 0.000 1.215 323 V CA 0.605 62.767 62.300 -0.230 0.000 1.176 323 V CB -1.392 30.342 31.823 -0.149 0.000 0.854 323 V HN 0.136 nan 8.190 nan 0.000 0.496 324 I N -0.377 120.060 120.570 -0.221 0.000 2.846 324 I HA 0.463 4.633 4.170 0.001 0.000 0.307 324 I C 0.410 176.442 176.117 -0.142 0.000 1.053 324 I CA -0.374 60.823 61.300 -0.171 0.000 1.050 324 I CB 2.371 40.280 38.000 -0.151 0.000 1.239 324 I HN -0.047 nan 8.210 nan 0.000 0.439 325 Q N 2.359 122.100 119.800 -0.099 0.000 1.870 325 Q HA 0.149 4.490 4.340 0.001 0.000 0.182 325 Q C -1.790 174.187 176.000 -0.037 0.000 0.779 325 Q CA -0.182 55.574 55.803 -0.079 0.000 0.912 325 Q CB 0.549 29.215 28.738 -0.121 0.000 1.234 325 Q HN 0.748 nan 8.270 nan 0.000 0.404 326 D N -2.431 117.956 120.400 -0.022 0.000 2.648 326 D HA 0.112 4.752 4.640 0.001 0.000 0.244 326 D C -0.326 175.978 176.300 0.006 0.000 1.244 326 D CA -0.695 53.302 54.000 -0.004 0.000 0.772 326 D CB 0.365 41.160 40.800 -0.009 0.000 1.379 326 D HN 0.016 nan 8.370 nan 0.000 0.428 327 R N -0.341 120.166 120.500 0.012 0.000 2.395 327 R HA -0.107 4.234 4.340 0.001 0.000 0.202 327 R C 0.675 176.981 176.300 0.010 0.000 1.088 327 R CA 1.139 57.246 56.100 0.012 0.000 1.090 327 R CB 0.078 30.385 30.300 0.013 0.000 0.876 327 R HN 0.436 nan 8.270 nan 0.000 0.477 328 E N -1.060 119.146 120.200 0.011 0.000 2.098 328 E HA 0.027 4.377 4.350 0.001 0.000 0.196 328 E C 1.258 177.873 176.600 0.025 0.000 0.955 328 E CA 1.574 57.983 56.400 0.015 0.000 0.936 328 E CB -0.307 29.398 29.700 0.009 0.000 1.054 328 E HN 0.067 nan 8.360 nan 0.000 0.482 329 T N 1.280 115.844 114.554 0.018 0.000 2.869 329 T HA -0.142 4.208 4.350 0.001 0.000 0.270 329 T C 1.648 176.383 174.700 0.059 0.000 1.082 329 T CA 1.255 63.372 62.100 0.029 0.000 1.123 329 T CB -0.529 68.331 68.868 -0.014 0.000 0.856 329 T HN 0.360 nan 8.240 nan 0.000 0.499 330 A N 1.641 124.485 122.820 0.040 0.000 1.828 330 A HA 0.009 4.329 4.320 0.001 0.000 0.215 330 A C 2.138 179.766 177.584 0.074 0.000 1.203 330 A CA 1.289 53.358 52.037 0.054 0.000 0.614 330 A CB -0.878 18.137 19.000 0.026 0.000 0.844 330 A HN 0.384 nan 8.150 nan 0.000 0.445 331 L N 0.463 121.707 121.223 0.034 0.000 2.131 331 L HA -0.146 4.194 4.340 0.001 0.000 0.210 331 L C 2.135 179.032 176.870 0.046 0.000 1.092 331 L CA 2.066 56.914 54.840 0.013 0.000 0.759 331 L CB -0.827 41.227 42.059 -0.008 0.000 0.903 331 L HN 0.660 nan 8.230 nan 0.000 0.435 332 D N -0.021 120.425 120.400 0.077 0.000 2.092 332 D HA -0.320 4.321 4.640 0.001 0.000 0.193 332 D C 1.567 177.946 176.300 0.133 0.000 0.994 332 D CA 1.058 55.117 54.000 0.097 0.000 0.828 332 D CB -0.292 40.570 40.800 0.104 0.000 0.963 332 D HN 0.205 nan 8.370 nan 0.000 0.450 333 F N 0.138 120.092 119.950 0.006 0.000 2.706 333 F HA 0.218 4.746 4.527 0.001 0.000 0.315 333 F C 0.527 176.333 175.800 0.011 0.000 1.286 333 F CA 0.481 58.487 58.000 0.010 0.000 1.424 333 F CB -0.294 38.709 39.000 0.004 0.000 1.262 333 F HN 0.143 nan 8.300 nan 0.000 0.547 334 I N -1.414 119.109 120.570 -0.078 0.000 4.827 334 I HA 0.114 4.284 4.170 0.001 0.000 0.362 334 I C 1.772 177.879 176.117 -0.017 0.000 1.237 334 I CA 0.182 61.421 61.300 -0.101 0.000 1.366 334 I CB 0.210 38.161 38.000 -0.080 0.000 1.742 334 I HN 0.070 nan 8.210 nan 0.000 0.588 335 G N 1.457 110.272 108.800 0.025 0.000 3.474 335 G HA2 0.222 4.182 3.960 0.001 0.000 0.269 335 G HA3 0.222 4.182 3.960 0.001 0.000 0.269 335 G C 0.944 175.877 174.900 0.055 0.000 1.339 335 G CA 0.038 45.210 45.100 0.120 0.000 1.258 335 G HN 0.250 nan 8.290 nan 0.000 0.560 336 R N -0.923 119.574 120.500 -0.005 0.000 2.658 336 R HA 0.077 4.418 4.340 0.001 0.000 0.223 336 R C 0.379 176.653 176.300 -0.044 0.000 0.985 336 R CA -0.444 55.631 56.100 -0.043 0.000 1.290 336 R CB 0.364 30.598 30.300 -0.111 0.000 1.723 336 R HN 0.055 nan 8.270 nan 0.000 0.527 337 R N 1.380 121.843 120.500 -0.062 0.000 4.518 337 R HA 0.339 4.679 4.340 0.001 0.000 0.243 337 R C 0.523 176.876 176.300 0.090 0.000 1.720 337 R CA 0.490 56.566 56.100 -0.040 0.000 1.526 337 R CB 0.646 30.872 30.300 -0.123 0.000 1.425 337 R HN 0.481 nan 8.270 nan 0.000 0.787 338 G N -0.517 108.371 108.800 0.147 0.000 3.382 338 G HA2 -0.222 3.739 3.960 0.001 0.000 0.214 338 G HA3 -0.222 3.739 3.960 0.001 0.000 0.214 338 G C 0.307 175.320 174.900 0.189 0.000 1.025 338 G CA -0.155 45.108 45.100 0.272 0.000 0.869 338 G HN 0.397 nan 8.290 nan 0.000 0.458 339 T N 1.483 116.107 114.554 0.116 0.000 2.882 339 T HA 0.610 4.961 4.350 0.001 0.000 0.287 339 T C 1.011 175.660 174.700 -0.085 0.000 1.014 339 T CA 0.920 62.918 62.100 -0.169 0.000 1.049 339 T CB 0.671 69.461 68.868 -0.130 0.000 1.001 339 T HN 1.456 nan 8.240 nan 0.000 0.525 340 A N 3.381 126.133 122.820 -0.113 0.000 2.587 340 A HA 0.122 4.442 4.320 0.001 0.000 0.235 340 A C 1.255 178.815 177.584 -0.039 0.000 1.044 340 A CA -0.253 51.746 52.037 -0.064 0.000 0.754 340 A CB -0.368 18.593 19.000 -0.065 0.000 0.968 340 A HN 0.927 nan 8.150 nan 0.000 0.509 341 L N 2.655 123.863 121.223 -0.026 0.000 2.814 341 L HA 0.096 4.436 4.340 0.001 0.000 0.248 341 L C 1.485 178.347 176.870 -0.013 0.000 1.169 341 L CA 2.037 56.868 54.840 -0.016 0.000 0.872 341 L CB -0.418 41.634 42.059 -0.012 0.000 1.029 341 L HN 0.835 nan 8.230 nan 0.000 0.452 342 G N -2.041 106.748 108.800 -0.018 0.000 2.801 342 G HA2 0.120 4.081 3.960 0.001 0.000 0.191 342 G HA3 0.120 4.081 3.960 0.001 0.000 0.191 342 G C 0.418 175.308 174.900 -0.016 0.000 1.223 342 G CA -0.314 44.778 45.100 -0.013 0.000 0.904 342 G HN 0.067 nan 8.290 nan 0.000 0.789 343 I N 2.599 123.153 120.570 -0.027 0.000 3.247 343 I HA -0.109 4.061 4.170 0.001 0.000 0.309 343 I C 0.481 176.590 176.117 -0.013 0.000 1.246 343 I CA 0.668 61.950 61.300 -0.031 0.000 1.384 343 I CB -0.289 37.677 38.000 -0.057 0.000 1.401 343 I HN 0.211 nan 8.210 nan 0.000 0.520 344 K N 7.786 128.180 120.400 -0.009 0.000 1.882 344 K HA -0.140 4.181 4.320 0.001 0.000 0.205 344 K C 0.958 177.562 176.600 0.007 0.000 1.100 344 K CA 0.203 56.490 56.287 -0.000 0.000 1.350 344 K CB -0.314 32.186 32.500 -0.000 0.000 0.997 344 K HN 0.488 nan 8.250 nan 0.000 0.251 345 K N 0.880 121.287 120.400 0.012 0.000 2.449 345 K HA -0.423 3.897 4.320 0.001 0.000 0.110 345 K C 1.121 177.737 176.600 0.027 0.000 1.308 345 K CA 1.742 58.042 56.287 0.023 0.000 0.716 345 K CB -0.417 32.097 32.500 0.024 0.000 0.474 345 K HN 0.738 nan 8.250 nan 0.000 1.048 346 E N 0.842 121.060 120.200 0.030 0.000 4.751 346 E HA -0.492 3.858 4.350 0.001 0.000 0.189 346 E C 1.602 178.225 176.600 0.038 0.000 1.389 346 E CA 3.053 59.472 56.400 0.031 0.000 2.157 346 E CB -0.777 28.937 29.700 0.023 0.000 1.944 346 E HN 0.615 nan 8.360 nan 0.000 0.264 347 K N 0.972 121.392 120.400 0.033 0.000 2.147 347 K HA -0.188 4.132 4.320 0.001 0.000 0.205 347 K C 2.411 179.054 176.600 0.072 0.000 1.049 347 K CA 1.929 58.239 56.287 0.039 0.000 0.936 347 K CB -0.563 31.948 32.500 0.018 0.000 0.722 347 K HN 0.466 nan 8.250 nan 0.000 0.446 348 R N 1.268 121.811 120.500 0.072 0.000 2.159 348 R HA -0.063 4.277 4.340 0.001 0.000 0.237 348 R C 2.077 178.473 176.300 0.160 0.000 1.131 348 R CA 1.574 57.752 56.100 0.131 0.000 0.982 348 R CB -0.802 29.553 30.300 0.091 0.000 0.868 348 R HN 0.241 nan 8.270 nan 0.000 0.453 349 I N 0.592 121.220 120.570 0.096 0.000 2.500 349 I HA -0.139 4.031 4.170 0.001 0.000 0.252 349 I C 2.439 178.595 176.117 0.065 0.000 1.142 349 I CA 0.927 62.268 61.300 0.069 0.000 1.451 349 I CB -0.216 37.813 38.000 0.049 0.000 1.093 349 I HN 0.191 nan 8.210 nan 0.000 0.430 350 Q N 0.427 120.276 119.800 0.081 0.000 2.297 350 Q HA -0.227 4.113 4.340 0.001 0.000 0.204 350 Q C 1.959 178.030 176.000 0.118 0.000 0.962 350 Q CA 1.555 57.403 55.803 0.075 0.000 0.879 350 Q CB -0.396 28.381 28.738 0.065 0.000 0.947 350 Q HN 0.557 nan 8.270 nan 0.000 0.462 351 Y N -0.076 120.222 120.300 -0.002 0.000 2.133 351 Y HA -0.010 4.541 4.550 0.001 0.000 0.287 351 Y C 1.989 177.884 175.900 -0.008 0.000 1.134 351 Y CA 1.575 59.671 58.100 -0.006 0.000 1.133 351 Y CB -0.975 37.485 38.460 -0.000 0.000 0.987 351 Y HN 0.116 nan 8.280 nan 0.000 0.502 352 A N 1.051 123.770 122.820 -0.168 0.000 1.892 352 A HA -0.243 4.078 4.320 0.001 0.000 0.218 352 A C 2.290 179.767 177.584 -0.178 0.000 1.188 352 A CA 2.180 54.052 52.037 -0.274 0.000 0.631 352 A CB -0.710 18.210 19.000 -0.133 0.000 0.822 352 A HN 0.542 nan 8.150 nan 0.000 0.447 353 K N -0.342 120.010 120.400 -0.080 0.000 1.988 353 K HA -0.224 4.097 4.320 0.001 0.000 0.221 353 K C 1.756 178.327 176.600 -0.049 0.000 1.053 353 K CA 1.771 58.028 56.287 -0.049 0.000 0.959 353 K CB -0.570 31.925 32.500 -0.009 0.000 0.728 353 K HN 0.497 nan 8.250 nan 0.000 0.447 354 D N 0.891 121.274 120.400 -0.028 0.000 2.126 354 D HA -0.206 4.434 4.640 0.001 0.000 0.190 354 D C 2.062 178.330 176.300 -0.053 0.000 1.001 354 D CA 1.561 55.551 54.000 -0.017 0.000 0.841 354 D CB -0.451 40.364 40.800 0.025 0.000 0.949 354 D HN 0.224 nan 8.370 nan 0.000 0.446 355 I N 0.980 121.470 120.570 -0.133 0.000 2.068 355 I HA -0.307 3.864 4.170 0.001 0.000 0.238 355 I C 2.648 178.742 176.117 -0.038 0.000 1.046 355 I CA 1.047 62.257 61.300 -0.150 0.000 1.306 355 I CB -0.568 37.247 38.000 -0.308 0.000 1.023 355 I HN -0.025 nan 8.210 nan 0.000 0.399 356 L N 0.064 121.250 121.223 -0.062 0.000 2.270 356 L HA -0.283 4.058 4.340 0.001 0.000 0.217 356 L C 2.666 179.578 176.870 0.069 0.000 1.107 356 L CA 1.363 56.191 54.840 -0.019 0.000 0.772 356 L CB -0.584 41.380 42.059 -0.158 0.000 0.902 356 L HN 0.446 nan 8.230 nan 0.000 0.439 357 Q N -0.107 119.713 119.800 0.033 0.000 2.089 357 Q HA -0.131 4.210 4.340 0.001 0.000 0.195 357 Q C 2.044 178.070 176.000 0.042 0.000 0.963 357 Q CA 1.048 56.879 55.803 0.047 0.000 0.834 357 Q CB 0.300 29.054 28.738 0.026 0.000 0.906 357 Q HN 0.461 nan 8.270 nan 0.000 0.452 358 K N -0.495 119.922 120.400 0.029 0.000 2.190 358 K HA 0.040 4.360 4.320 0.001 0.000 0.202 358 K C 1.803 178.445 176.600 0.070 0.000 1.045 358 K CA 0.458 56.755 56.287 0.016 0.000 0.976 358 K CB 0.330 32.828 32.500 -0.005 0.000 0.849 358 K HN 0.047 nan 8.250 nan 0.000 0.468 359 E N 0.356 120.617 120.200 0.100 0.000 2.318 359 E HA -0.008 4.342 4.350 0.001 0.000 0.193 359 E C -0.094 176.602 176.600 0.160 0.000 0.998 359 E CA 0.113 56.604 56.400 0.151 0.000 0.859 359 E CB 0.126 29.901 29.700 0.125 0.000 0.812 359 E HN 0.061 nan 8.360 nan 0.000 0.492 360 F N 1.655 121.616 119.950 0.019 0.000 2.471 360 F HA 0.134 4.661 4.527 0.001 0.000 0.365 360 F C 0.783 176.595 175.800 0.021 0.000 1.095 360 F CA -0.752 57.259 58.000 0.017 0.000 1.174 360 F CB 0.363 39.357 39.000 -0.010 0.000 1.105 360 F HN -0.134 nan 8.300 nan 0.000 0.535 361 L N 8.917 129.771 121.223 -0.614 0.000 3.941 361 L HA -0.246 4.094 4.340 0.001 0.000 0.455 361 L C -1.449 175.318 176.870 -0.171 0.000 1.179 361 L CA 0.271 54.855 54.840 -0.428 0.000 0.782 361 L CB -0.927 40.716 42.059 -0.692 0.000 1.679 361 L HN 0.596 nan 8.230 nan 0.000 0.871 362 P HA -0.260 nan 4.420 nan 0.000 0.219 362 P C 0.793 178.074 177.300 -0.033 0.000 1.149 362 P CA 2.215 65.310 63.100 -0.007 0.000 0.835 362 P CB -0.514 31.225 31.700 0.066 0.000 0.778 363 H N -1.177 117.794 119.070 -0.165 0.000 2.408 363 H HA 0.200 4.757 4.556 0.001 0.000 0.352 363 H C 1.585 176.765 175.328 -0.246 0.000 1.607 363 H CA -0.338 55.602 56.048 -0.181 0.000 1.445 363 H CB 0.210 29.867 29.762 -0.175 0.000 1.664 363 H HN -0.038 nan 8.280 nan 0.000 0.605 364 I N -1.947 118.280 120.570 -0.571 0.000 4.031 364 I HA -0.373 3.797 4.170 0.001 0.000 0.127 364 I C -0.177 175.657 176.117 -0.472 0.000 0.381 364 I CA 1.740 62.663 61.300 -0.628 0.000 1.247 364 I CB -1.030 36.444 38.000 -0.877 0.000 1.102 364 I HN 0.990 nan 8.210 nan 0.000 0.192 365 T N -0.735 113.587 114.554 -0.387 0.000 2.998 365 T HA 0.009 4.360 4.350 0.001 0.000 0.408 365 T C -0.304 174.243 174.700 -0.254 0.000 1.548 365 T CA 0.072 61.946 62.100 -0.377 0.000 0.963 365 T CB 0.143 68.575 68.868 -0.726 0.000 1.711 365 T HN 0.389 nan 8.240 nan 0.000 0.460 366 Q N 3.173 122.872 119.800 -0.168 0.000 2.219 366 Q HA 0.359 4.700 4.340 0.001 0.000 0.209 366 Q C 1.790 177.760 176.000 -0.049 0.000 0.854 366 Q CA -0.191 55.560 55.803 -0.088 0.000 0.960 366 Q CB 0.425 29.107 28.738 -0.094 0.000 1.116 366 Q HN 0.594 nan 8.270 nan 0.000 0.500 367 L N 0.491 121.672 121.223 -0.070 0.000 1.877 367 L HA -0.196 4.144 4.340 0.001 0.000 0.239 367 L C 1.767 178.720 176.870 0.139 0.000 1.081 367 L CA 1.880 56.748 54.840 0.047 0.000 0.878 367 L CB -0.225 41.900 42.059 0.111 0.000 0.909 367 L HN 0.292 nan 8.230 nan 0.000 0.434 368 E N -2.484 117.909 120.200 0.321 0.000 2.241 368 E HA -0.006 4.344 4.350 0.001 0.000 0.264 368 E C 1.258 178.013 176.600 0.259 0.000 1.091 368 E CA 0.516 57.061 56.400 0.242 0.000 1.872 368 E CB -0.544 29.230 29.700 0.124 0.000 3.264 368 E HN 0.392 nan 8.360 nan 0.000 1.030 369 G N 0.872 109.739 108.800 0.112 0.000 3.324 369 G HA2 0.125 4.085 3.960 0.001 0.000 0.232 369 G HA3 0.125 4.085 3.960 0.001 0.000 0.232 369 G C -0.262 174.330 174.900 -0.514 0.000 1.213 369 G CA 0.286 45.259 45.100 -0.212 0.000 1.637 369 G HN 0.129 nan 8.290 nan 0.000 0.572 370 F N -0.979 118.988 119.950 0.028 0.000 2.777 370 F HA 0.304 4.831 4.527 0.001 0.000 0.361 370 F C 1.191 177.028 175.800 0.063 0.000 1.254 370 F CA -0.858 57.165 58.000 0.039 0.000 1.181 370 F CB 0.654 39.669 39.000 0.024 0.000 1.082 370 F HN 0.025 nan 8.300 nan 0.000 0.510 371 E N 0.665 120.969 120.200 0.173 0.000 2.147 371 E HA -0.224 4.126 4.350 0.001 0.000 0.199 371 E C 2.313 179.013 176.600 0.167 0.000 1.005 371 E CA 2.052 58.530 56.400 0.130 0.000 0.810 371 E CB -0.333 29.409 29.700 0.071 0.000 0.736 371 E HN 0.429 nan 8.360 nan 0.000 0.460 372 S N -0.112 115.707 115.700 0.198 0.000 2.357 372 S HA -0.096 4.374 4.470 0.001 0.000 0.221 372 S C 2.068 176.904 174.600 0.395 0.000 1.031 372 S CA 0.828 59.207 58.200 0.299 0.000 0.982 372 S CB -0.223 63.150 63.200 0.288 0.000 0.853 372 S HN 0.083 nan 8.310 nan 0.000 0.458 373 R N 1.439 122.119 120.500 0.301 0.000 2.083 373 R HA -0.021 4.319 4.340 0.001 0.000 0.237 373 R C 2.528 179.014 176.300 0.310 0.000 1.137 373 R CA 1.836 58.087 56.100 0.253 0.000 0.951 373 R CB -0.191 30.264 30.300 0.258 0.000 0.851 373 R HN 0.468 nan 8.270 nan 0.000 0.434 374 K N -0.556 120.016 120.400 0.287 0.000 2.001 374 K HA -0.054 4.267 4.320 0.001 0.000 0.208 374 K C 2.100 178.964 176.600 0.439 0.000 1.048 374 K CA 1.231 57.712 56.287 0.324 0.000 0.932 374 K CB -0.164 32.562 32.500 0.377 0.000 0.715 374 K HN 0.159 nan 8.250 nan 0.000 0.437 375 A N 0.747 123.759 122.820 0.320 0.000 1.986 375 A HA -0.175 4.145 4.320 0.001 0.000 0.220 375 A C 1.906 179.682 177.584 0.319 0.000 1.171 375 A CA 1.387 53.532 52.037 0.181 0.000 0.640 375 A CB -0.721 18.295 19.000 0.028 0.000 0.811 375 A HN 0.237 nan 8.150 nan 0.000 0.451 376 F N -2.390 117.775 119.950 0.359 0.000 2.325 376 F HA 0.029 4.556 4.527 0.001 0.000 0.299 376 F C 1.859 178.167 175.800 0.846 0.000 1.090 376 F CA 0.983 59.293 58.000 0.516 0.000 1.392 376 F CB -0.197 38.873 39.000 0.118 0.000 1.053 376 F HN 0.318 nan 8.300 nan 0.000 0.521 377 F N -0.187 120.212 119.950 0.748 0.000 2.074 377 F HA -0.149 4.379 4.527 0.001 0.000 0.293 377 F C 2.296 178.401 175.800 0.508 0.000 1.116 377 F CA 1.003 59.412 58.000 0.682 0.000 1.212 377 F CB -0.740 38.516 39.000 0.427 0.000 0.998 377 F HN -0.109 nan 8.300 nan 0.000 0.471 378 L N 0.742 122.290 121.223 0.542 0.000 2.051 378 L HA -0.157 4.183 4.340 0.001 0.000 0.214 378 L C 2.243 179.318 176.870 0.342 0.000 1.076 378 L CA 2.409 57.437 54.840 0.313 0.000 0.758 378 L CB -1.710 40.420 42.059 0.119 0.000 0.890 378 L HN 0.224 nan 8.230 nan 0.000 0.433 379 G N -1.885 107.256 108.800 0.568 0.000 2.414 379 G HA2 -0.373 3.587 3.960 0.001 0.000 0.215 379 G HA3 -0.373 3.587 3.960 0.001 0.000 0.215 379 G C 1.574 176.712 174.900 0.397 0.000 1.188 379 G CA 0.789 46.265 45.100 0.627 0.000 0.783 379 G HN 0.559 nan 8.290 nan 0.000 0.537 380 Y N 1.010 121.515 120.300 0.342 0.000 2.241 380 Y HA -0.116 4.434 4.550 0.001 0.000 0.286 380 Y C 2.693 178.534 175.900 -0.099 0.000 1.166 380 Y CA 1.628 59.775 58.100 0.078 0.000 1.203 380 Y CB -0.106 38.264 38.460 -0.149 0.000 0.977 380 Y HN 0.172 nan 8.280 nan 0.000 0.529 381 M N -1.014 118.445 119.600 -0.234 0.000 2.248 381 M HA -0.080 4.400 4.480 0.001 0.000 0.265 381 M C 1.936 178.117 176.300 -0.199 0.000 1.079 381 M CA 1.241 56.344 55.300 -0.329 0.000 1.150 381 M CB -0.193 32.325 32.600 -0.136 0.000 1.366 381 M HN 0.175 nan 8.290 nan 0.000 0.433 382 I N 0.490 121.040 120.570 -0.033 0.000 3.010 382 I HA -0.246 3.924 4.170 0.001 0.000 0.271 382 I C 1.824 177.906 176.117 -0.058 0.000 1.293 382 I CA 0.655 61.963 61.300 0.013 0.000 1.452 382 I CB -0.757 37.331 38.000 0.147 0.000 1.082 382 I HN 0.384 nan 8.210 nan 0.000 0.484 383 N N 1.249 119.859 118.700 -0.150 0.000 2.187 383 N HA -0.081 4.659 4.740 0.001 0.000 0.190 383 N C 1.954 177.323 175.510 -0.234 0.000 1.052 383 N CA 0.942 53.868 53.050 -0.207 0.000 0.863 383 N CB 0.026 38.345 38.487 -0.279 0.000 1.041 383 N HN -0.106 nan 8.380 nan 0.000 0.447 384 R N 0.425 120.702 120.500 -0.371 0.000 2.198 384 R HA -0.186 4.155 4.340 0.001 0.000 0.258 384 R C 2.048 178.229 176.300 -0.199 0.000 1.173 384 R CA 0.839 56.748 56.100 -0.319 0.000 0.991 384 R CB -1.416 28.610 30.300 -0.457 0.000 0.879 384 R HN 0.389 nan 8.270 nan 0.000 0.460 385 L N 0.794 121.916 121.223 -0.168 0.000 1.970 385 L HA -0.148 4.193 4.340 0.001 0.000 0.212 385 L C 2.285 179.136 176.870 -0.031 0.000 1.071 385 L CA 1.687 56.478 54.840 -0.080 0.000 0.751 385 L CB -0.443 41.585 42.059 -0.051 0.000 0.889 385 L HN 0.093 nan 8.230 nan 0.000 0.432 386 L N -1.532 119.659 121.223 -0.055 0.000 2.156 386 L HA -0.171 4.170 4.340 0.001 0.000 0.208 386 L C 2.363 179.202 176.870 -0.052 0.000 1.095 386 L CA 0.304 55.116 54.840 -0.047 0.000 0.770 386 L CB -0.570 41.448 42.059 -0.068 0.000 0.914 386 L HN 0.252 nan 8.230 nan 0.000 0.439 387 L N -0.691 120.484 121.223 -0.079 0.000 2.263 387 L HA -0.282 4.058 4.340 0.001 0.000 0.216 387 L C 2.422 179.263 176.870 -0.047 0.000 1.111 387 L CA 1.501 56.297 54.840 -0.074 0.000 0.773 387 L CB -0.801 41.201 42.059 -0.095 0.000 0.906 387 L HN 0.444 nan 8.230 nan 0.000 0.439 388 C N -2.110 117.174 119.300 -0.026 0.000 2.406 388 C HA 0.313 4.773 4.460 0.001 0.000 0.343 388 C C 2.940 177.986 174.990 0.092 0.000 1.397 388 C CA 0.181 59.197 59.018 -0.002 0.000 2.069 388 C CB -0.715 26.993 27.740 -0.053 0.000 2.374 388 C HN 0.511 nan 8.230 nan 0.000 0.545 389 A N 0.828 123.763 122.820 0.192 0.000 2.104 389 A HA -0.022 4.298 4.320 0.001 0.000 0.223 389 A C 0.826 178.448 177.584 0.064 0.000 1.164 389 A CA 1.347 53.499 52.037 0.193 0.000 0.659 389 A CB -0.681 18.316 19.000 -0.005 0.000 0.808 389 A HN 0.697 nan 8.150 nan 0.000 0.465 390 L N 0.573 121.806 121.223 0.017 0.000 2.324 390 L HA 0.263 4.603 4.340 0.001 0.000 0.274 390 L C -1.261 175.603 176.870 -0.011 0.000 1.012 390 L CA -0.872 53.952 54.840 -0.026 0.000 0.859 390 L CB 1.267 43.281 42.059 -0.076 0.000 1.224 390 L HN 0.029 nan 8.230 nan 0.000 0.429 391 D N 3.014 123.415 120.400 0.002 0.000 3.030 391 D HA -0.072 4.568 4.640 0.001 0.000 0.281 391 D C 0.917 177.210 176.300 -0.011 0.000 1.522 391 D CA 0.861 54.861 54.000 -0.001 0.000 1.219 391 D CB 0.319 41.121 40.800 0.003 0.000 1.176 391 D HN 0.466 nan 8.370 nan 0.000 0.603 392 R N 1.127 121.618 120.500 -0.016 0.000 2.716 392 R HA 0.144 4.485 4.340 0.001 0.000 0.186 392 R C 0.015 176.306 176.300 -0.016 0.000 0.830 392 R CA -0.149 55.941 56.100 -0.017 0.000 1.059 392 R CB 0.754 31.038 30.300 -0.027 0.000 1.531 392 R HN -0.030 nan 8.270 nan 0.000 0.633 393 K N 1.962 122.348 120.400 -0.023 0.000 2.545 393 K HA 0.240 4.560 4.320 0.001 0.000 0.252 393 K C -1.280 175.301 176.600 -0.032 0.000 0.948 393 K CA -0.463 55.809 56.287 -0.025 0.000 0.827 393 K CB 2.130 34.609 32.500 -0.036 0.000 1.128 393 K HN 0.025 nan 8.250 nan 0.000 0.429 394 D N 1.764 122.153 120.400 -0.019 0.000 2.383 394 D HA -0.126 4.515 4.640 0.001 0.000 0.233 394 D C 0.478 176.760 176.300 -0.030 0.000 1.233 394 D CA 0.709 54.698 54.000 -0.019 0.000 0.881 394 D CB 0.801 41.603 40.800 0.003 0.000 1.212 394 D HN 0.328 nan 8.370 nan 0.000 0.467 395 Q N 1.142 120.926 119.800 -0.026 0.000 2.311 395 Q HA -0.049 4.291 4.340 0.001 0.000 0.272 395 Q C -0.359 175.670 176.000 0.048 0.000 1.012 395 Q CA -0.287 55.510 55.803 -0.011 0.000 0.891 395 Q CB 0.602 29.352 28.738 0.019 0.000 1.201 395 Q HN 0.270 nan 8.270 nan 0.000 0.391 396 D N 2.920 123.327 120.400 0.011 0.000 2.525 396 D HA -0.112 4.528 4.640 0.001 0.000 0.235 396 D C -0.614 175.827 176.300 0.235 0.000 1.137 396 D CA 0.710 54.742 54.000 0.054 0.000 0.868 396 D CB 0.588 41.307 40.800 -0.134 0.000 1.180 396 D HN 0.534 nan 8.370 nan 0.000 0.465 397 D N 2.771 123.286 120.400 0.192 0.000 2.325 397 D HA 0.010 4.650 4.640 0.001 0.000 0.251 397 D C 0.972 177.394 176.300 0.203 0.000 1.196 397 D CA -0.190 53.925 54.000 0.191 0.000 0.866 397 D CB 0.539 41.446 40.800 0.178 0.000 1.101 397 D HN 0.291 nan 8.370 nan 0.000 0.476 398 R N 2.280 122.879 120.500 0.165 0.000 2.316 398 R HA -0.041 4.299 4.340 0.001 0.000 0.202 398 R C -0.123 176.202 176.300 0.041 0.000 1.029 398 R CA 0.609 56.772 56.100 0.104 0.000 1.018 398 R CB 0.426 30.689 30.300 -0.062 0.000 0.888 398 R HN 0.422 nan 8.270 nan 0.000 0.471 399 D N -0.797 119.601 120.400 -0.003 0.000 2.670 399 D HA 0.006 4.647 4.640 0.001 0.000 0.255 399 D C -0.492 175.523 176.300 -0.474 0.000 1.286 399 D CA -0.041 53.852 54.000 -0.178 0.000 0.830 399 D CB 0.152 40.859 40.800 -0.156 0.000 1.065 399 D HN 0.097 nan 8.370 nan 0.000 0.486 400 H N 1.004 119.930 119.070 -0.240 0.000 2.944 400 H HA -0.030 4.527 4.556 0.001 0.000 0.278 400 H C 0.786 176.071 175.328 -0.072 0.000 1.083 400 H CA -0.238 55.700 56.048 -0.184 0.000 1.479 400 H CB 0.252 30.002 29.762 -0.019 0.000 1.486 400 H HN -0.013 nan 8.280 nan 0.000 0.493 401 F N 3.976 123.836 119.950 -0.151 0.000 2.287 401 F HA -0.099 4.428 4.527 0.001 0.000 0.301 401 F C 2.215 178.074 175.800 0.098 0.000 1.069 401 F CA 1.565 59.538 58.000 -0.044 0.000 1.372 401 F CB -0.461 38.511 39.000 -0.046 0.000 1.056 401 F HN 0.695 nan 8.300 nan 0.000 0.523 402 G N -0.705 108.282 108.800 0.313 0.000 2.598 402 G HA2 -0.188 3.772 3.960 0.001 0.000 0.215 402 G HA3 -0.188 3.772 3.960 0.001 0.000 0.215 402 G C 1.467 176.347 174.900 -0.034 0.000 1.131 402 G CA 0.239 45.403 45.100 0.107 0.000 0.785 402 G HN 0.351 nan 8.290 nan 0.000 0.539 403 K N 0.014 120.401 120.400 -0.021 0.000 2.414 403 K HA 0.185 4.506 4.320 0.001 0.000 0.204 403 K C -0.059 176.492 176.600 -0.081 0.000 1.026 403 K CA -0.038 56.207 56.287 -0.069 0.000 1.108 403 K CB 0.640 33.130 32.500 -0.018 0.000 0.855 403 K HN 0.049 nan 8.250 nan 0.000 0.517 404 K N 1.591 121.917 120.400 -0.124 0.000 2.292 404 K HA 0.376 4.696 4.320 0.001 0.000 0.257 404 K C -0.381 176.077 176.600 -0.237 0.000 0.940 404 K CA -0.826 55.382 56.287 -0.132 0.000 0.811 404 K CB 1.990 34.463 32.500 -0.045 0.000 1.120 404 K HN -0.155 nan 8.250 nan 0.000 0.428 405 R N 2.533 122.933 120.500 -0.166 0.000 2.494 405 R HA 0.457 4.797 4.340 0.001 0.000 0.305 405 R C -0.313 175.915 176.300 -0.120 0.000 0.959 405 R CA -0.785 55.216 56.100 -0.166 0.000 0.864 405 R CB 1.037 31.252 30.300 -0.141 0.000 1.159 405 R HN 0.541 nan 8.270 nan 0.000 0.446 406 L N 3.559 124.709 121.223 -0.122 0.000 2.264 406 L HA 0.290 4.630 4.340 0.001 0.000 0.287 406 L C -0.083 176.750 176.870 -0.063 0.000 1.039 406 L CA -0.641 54.153 54.840 -0.077 0.000 0.829 406 L CB 1.072 43.090 42.059 -0.067 0.000 1.211 406 L HN 0.279 nan 8.230 nan 0.000 0.427 407 D N 3.415 123.781 120.400 -0.056 0.000 2.383 407 D HA 0.241 4.881 4.640 0.001 0.000 0.252 407 D C 0.057 176.328 176.300 -0.049 0.000 1.166 407 D CA -0.109 53.865 54.000 -0.043 0.000 0.879 407 D CB 2.393 43.166 40.800 -0.043 0.000 1.164 407 D HN 0.131 nan 8.370 nan 0.000 0.462 408 L N 1.755 122.965 121.223 -0.021 0.000 2.687 408 L HA 0.440 4.781 4.340 0.001 0.000 0.252 408 L C 1.652 178.527 176.870 0.008 0.000 1.115 408 L CA -0.264 54.569 54.840 -0.012 0.000 0.893 408 L CB 0.324 42.390 42.059 0.011 0.000 1.670 408 L HN 0.451 nan 8.230 nan 0.000 0.531 409 A N 0.372 123.220 122.820 0.047 0.000 1.877 409 A HA -0.230 4.090 4.320 0.001 0.000 0.218 409 A C 1.967 179.624 177.584 0.121 0.000 1.301 409 A CA 2.719 54.817 52.037 0.101 0.000 0.699 409 A CB -1.871 17.267 19.000 0.232 0.000 0.844 409 A HN 0.942 nan 8.150 nan 0.000 0.464 410 G N -0.209 108.713 108.800 0.202 0.000 2.553 410 G HA2 -0.232 3.729 3.960 0.001 0.000 0.218 410 G HA3 -0.232 3.729 3.960 0.001 0.000 0.218 410 G C -0.144 174.784 174.900 0.045 0.000 1.195 410 G CA 1.528 46.695 45.100 0.111 0.000 0.779 410 G HN 0.499 nan 8.290 nan 0.000 0.577 411 P HA -0.158 nan 4.420 nan 0.000 0.217 411 P C 2.124 179.493 177.300 0.116 0.000 1.158 411 P CA 1.085 64.252 63.100 0.111 0.000 0.887 411 P CB -0.189 31.550 31.700 0.064 0.000 0.792 412 L N -1.773 119.510 121.223 0.100 0.000 1.994 412 L HA -0.191 4.150 4.340 0.001 0.000 0.208 412 L C 2.512 179.605 176.870 0.371 0.000 1.071 412 L CA 1.456 56.437 54.840 0.235 0.000 0.745 412 L CB -1.169 40.931 42.059 0.068 0.000 0.892 412 L HN -0.046 nan 8.230 nan 0.000 0.431 413 L N -0.295 121.003 121.223 0.125 0.000 2.129 413 L HA -0.275 4.065 4.340 0.001 0.000 0.212 413 L C 2.874 179.698 176.870 -0.078 0.000 1.087 413 L CA 1.185 55.938 54.840 -0.146 0.000 0.757 413 L CB -0.905 40.740 42.059 -0.690 0.000 0.896 413 L HN 0.294 nan 8.230 nan 0.000 0.434 414 A N -0.378 122.484 122.820 0.069 0.000 1.851 414 A HA -0.322 3.998 4.320 0.001 0.000 0.216 414 A C 2.293 180.037 177.584 0.266 0.000 1.195 414 A CA 2.037 54.297 52.037 0.372 0.000 0.622 414 A CB -0.762 18.446 19.000 0.347 0.000 0.831 414 A HN 0.495 nan 8.150 nan 0.000 0.444 415 Q N -0.507 119.417 119.800 0.207 0.000 2.217 415 Q HA -0.214 4.127 4.340 0.001 0.000 0.209 415 Q C 1.980 178.032 176.000 0.087 0.000 0.988 415 Q CA 1.816 57.718 55.803 0.163 0.000 0.878 415 Q CB -0.270 28.605 28.738 0.229 0.000 0.909 415 Q HN 0.750 nan 8.270 nan 0.000 0.424 416 L N -0.973 120.268 121.223 0.031 0.000 2.022 416 L HA -0.111 4.229 4.340 0.001 0.000 0.204 416 L C 2.331 179.259 176.870 0.097 0.000 1.076 416 L CA 0.755 55.543 54.840 -0.086 0.000 0.749 416 L CB -0.803 41.077 42.059 -0.297 0.000 0.903 416 L HN 0.200 nan 8.230 nan 0.000 0.439 417 F N 1.353 121.316 119.950 0.022 0.000 2.147 417 F HA -0.286 4.241 4.527 0.001 0.000 0.301 417 F C 2.511 178.388 175.800 0.129 0.000 1.084 417 F CA 1.711 59.768 58.000 0.095 0.000 1.268 417 F CB -0.346 38.780 39.000 0.211 0.000 1.009 417 F HN -0.049 nan 8.300 nan 0.000 0.486 418 K N -0.770 119.702 120.400 0.120 0.000 1.973 418 K HA -0.131 4.189 4.320 0.001 0.000 0.210 418 K C 2.039 178.619 176.600 -0.034 0.000 1.045 418 K CA 1.971 58.260 56.287 0.003 0.000 0.937 418 K CB -0.546 31.990 32.500 0.060 0.000 0.721 418 K HN 0.148 nan 8.250 nan 0.000 0.438 419 T N 1.991 116.540 114.554 -0.009 0.000 2.803 419 T HA -0.139 4.211 4.350 0.001 0.000 0.269 419 T C 1.717 176.383 174.700 -0.056 0.000 1.052 419 T CA 1.129 63.206 62.100 -0.038 0.000 1.136 419 T CB -0.097 68.751 68.868 -0.033 0.000 0.864 419 T HN 0.113 nan 8.240 nan 0.000 0.467 420 L N -0.255 120.953 121.223 -0.026 0.000 1.960 420 L HA 0.052 4.393 4.340 0.001 0.000 0.209 420 L C 2.220 179.083 176.870 -0.013 0.000 1.090 420 L CA 1.188 56.024 54.840 -0.007 0.000 0.759 420 L CB -0.712 41.385 42.059 0.064 0.000 0.892 420 L HN 0.146 nan 8.230 nan 0.000 0.436 421 F N 1.410 121.214 119.950 -0.244 0.000 2.106 421 F HA -0.349 4.178 4.527 0.001 0.000 0.299 421 F C 2.368 177.999 175.800 -0.283 0.000 1.082 421 F CA 1.844 59.617 58.000 -0.378 0.000 1.244 421 F CB -0.450 38.052 39.000 -0.829 0.000 0.997 421 F HN -0.013 nan 8.300 nan 0.000 0.486 422 K N -0.062 120.080 120.400 -0.430 0.000 2.148 422 K HA -0.186 4.134 4.320 0.001 0.000 0.204 422 K C 2.161 178.584 176.600 -0.294 0.000 1.050 422 K CA 1.350 57.351 56.287 -0.476 0.000 0.942 422 K CB -0.287 32.029 32.500 -0.306 0.000 0.724 422 K HN 0.280 nan 8.250 nan 0.000 0.446 423 K N 0.984 121.276 120.400 -0.180 0.000 2.283 423 K HA -0.114 4.207 4.320 0.001 0.000 0.202 423 K C 1.841 178.383 176.600 -0.096 0.000 1.048 423 K CA 0.656 56.874 56.287 -0.115 0.000 0.948 423 K CB 0.142 32.596 32.500 -0.077 0.000 0.742 423 K HN 0.021 nan 8.250 nan 0.000 0.458 424 L N 0.159 121.319 121.223 -0.106 0.000 2.298 424 L HA 0.076 4.416 4.340 0.001 0.000 0.209 424 L C 1.694 178.522 176.870 -0.070 0.000 1.084 424 L CA 1.431 56.243 54.840 -0.047 0.000 0.816 424 L CB -0.260 41.815 42.059 0.026 0.000 0.967 424 L HN -0.023 nan 8.230 nan 0.000 0.460 425 T N 0.799 115.213 114.554 -0.233 0.000 2.833 425 T HA -0.189 4.161 4.350 0.001 0.000 0.269 425 T C 1.540 176.161 174.700 -0.131 0.000 1.054 425 T CA 1.864 63.832 62.100 -0.221 0.000 1.135 425 T CB -0.218 68.326 68.868 -0.539 0.000 0.869 425 T HN 0.548 nan 8.240 nan 0.000 0.466 426 K N 0.362 120.660 120.400 -0.170 0.000 2.404 426 K HA 0.133 4.454 4.320 0.001 0.000 0.194 426 K C 1.093 177.688 176.600 -0.009 0.000 1.023 426 K CA 0.448 56.636 56.287 -0.165 0.000 1.094 426 K CB 0.295 32.681 32.500 -0.189 0.000 0.841 426 K HN 0.060 nan 8.250 nan 0.000 0.523 427 D N 1.493 121.904 120.400 0.018 0.000 2.213 427 D HA 0.038 4.679 4.640 0.001 0.000 0.205 427 D C 1.782 178.162 176.300 0.133 0.000 0.961 427 D CA 0.743 54.783 54.000 0.066 0.000 0.853 427 D CB 0.146 40.968 40.800 0.037 0.000 0.967 427 D HN 0.267 nan 8.370 nan 0.000 0.496 428 I N 0.194 120.858 120.570 0.158 0.000 2.394 428 I HA -0.198 3.973 4.170 0.001 0.000 0.251 428 I C 2.082 178.390 176.117 0.318 0.000 1.136 428 I CA 0.357 61.782 61.300 0.208 0.000 1.425 428 I CB -0.230 37.888 38.000 0.196 0.000 1.079 428 I HN -0.149 nan 8.210 nan 0.000 0.425 429 F N 2.245 122.245 119.950 0.083 0.000 2.115 429 F HA -0.253 4.274 4.527 0.001 0.000 0.300 429 F C 2.574 178.422 175.800 0.080 0.000 1.092 429 F CA 1.607 59.648 58.000 0.068 0.000 1.245 429 F CB -0.567 38.453 39.000 0.033 0.000 0.995 429 F HN 0.043 nan 8.300 nan 0.000 0.481 430 R N -1.857 118.788 120.500 0.241 0.000 2.241 430 R HA -0.229 4.112 4.340 0.001 0.000 0.224 430 R C 1.893 178.267 176.300 0.124 0.000 1.101 430 R CA 1.382 57.566 56.100 0.140 0.000 0.995 430 R CB -0.875 29.503 30.300 0.130 0.000 0.870 430 R HN 0.383 nan 8.270 nan 0.000 0.463 431 Y N 1.099 121.425 120.300 0.043 0.000 2.314 431 Y HA 0.025 4.575 4.550 0.000 0.000 0.294 431 Y C 2.109 178.002 175.900 -0.011 0.000 1.119 431 Y CA 1.201 59.316 58.100 0.024 0.000 1.179 431 Y CB 0.198 38.685 38.460 0.045 0.000 1.025 431 Y HN -0.128 nan 8.280 nan 0.000 0.541 432 M N -0.918 118.708 119.600 0.042 0.000 2.357 432 M HA -0.080 4.401 4.480 0.001 0.000 0.266 432 M C 1.801 178.006 176.300 -0.160 0.000 1.095 432 M CA 1.079 56.331 55.300 -0.080 0.000 1.156 432 M CB -0.259 32.293 32.600 -0.079 0.000 1.365 432 M HN 0.106 nan 8.290 nan 0.000 0.447 433 Q N 0.859 120.552 119.800 -0.180 0.000 2.364 433 Q HA -0.084 4.256 4.340 0.001 0.000 0.209 433 Q C 1.460 177.393 176.000 -0.111 0.000 0.977 433 Q CA 0.959 56.661 55.803 -0.167 0.000 0.885 433 Q CB 0.004 28.654 28.738 -0.145 0.000 0.941 433 Q HN 0.562 nan 8.270 nan 0.000 0.464 434 R N -1.021 119.409 120.500 -0.116 0.000 2.404 434 R HA 0.124 4.465 4.340 0.001 0.000 0.237 434 R C 0.419 176.627 176.300 -0.153 0.000 0.907 434 R CA 0.103 56.136 56.100 -0.112 0.000 1.063 434 R CB 0.537 30.781 30.300 -0.094 0.000 1.134 434 R HN -0.131 nan 8.270 nan 0.000 0.529 435 T N 2.212 116.647 114.554 -0.197 0.000 4.219 435 T HA 0.050 4.401 4.350 0.001 0.000 0.263 435 T C 1.359 175.984 174.700 -0.126 0.000 1.217 435 T CA 0.050 62.026 62.100 -0.207 0.000 1.145 435 T CB 0.278 69.001 68.868 -0.242 0.000 1.298 435 T HN -0.048 nan 8.240 nan 0.000 0.999 436 V N 1.517 121.370 119.914 -0.101 0.000 3.061 436 V HA -0.151 3.970 4.120 0.001 0.000 0.269 436 V C 1.561 177.619 176.094 -0.061 0.000 1.154 436 V CA 1.280 63.537 62.300 -0.071 0.000 1.168 436 V CB -0.880 30.908 31.823 -0.057 0.000 0.758 436 V HN 0.737 nan 8.190 nan 0.000 0.530 447 A N 0.427 122.988 122.820 -0.432 0.000 3.061 447 A HA -0.109 4.211 4.320 0.001 0.000 0.244 447 A C -0.059 177.362 177.584 -0.272 0.000 1.357 447 A CA 1.344 52.974 52.037 -0.678 0.000 0.889 447 A CB -2.226 15.815 19.000 -1.599 0.000 1.092 447 A HN 0.602 nan 8.150 nan 0.000 0.694 448 I N 0.290 120.780 120.570 -0.133 0.000 2.583 448 I HA 0.161 4.332 4.170 0.001 0.000 0.276 448 I C 0.264 176.365 176.117 -0.027 0.000 1.089 448 I CA -0.564 60.707 61.300 -0.049 0.000 1.103 448 I CB 1.294 39.282 38.000 -0.020 0.000 1.209 448 I HN 0.306 nan 8.210 nan 0.000 0.484 449 N N 4.199 122.890 118.700 -0.014 0.000 3.193 449 N HA 0.158 4.898 4.740 0.001 0.000 0.312 449 N C 1.488 176.993 175.510 -0.009 0.000 1.261 449 N CA 0.272 53.325 53.050 0.004 0.000 1.208 449 N CB 0.535 39.032 38.487 0.016 0.000 1.471 449 N HN 0.686 nan 8.380 nan 0.000 0.548 450 A N 1.439 124.228 122.820 -0.051 0.000 2.067 450 A HA -0.291 4.030 4.320 0.001 0.000 0.224 450 A C 2.162 179.719 177.584 -0.044 0.000 1.172 450 A CA 1.523 53.471 52.037 -0.148 0.000 0.662 450 A CB -0.574 18.190 19.000 -0.392 0.000 0.814 450 A HN 0.635 nan 8.150 nan 0.000 0.468 451 K N -0.909 119.505 120.400 0.024 0.000 2.152 451 K HA -0.170 4.151 4.320 0.001 0.000 0.206 451 K C 1.943 178.565 176.600 0.037 0.000 1.048 451 K CA 1.789 58.107 56.287 0.051 0.000 0.933 451 K CB -0.399 32.135 32.500 0.057 0.000 0.721 451 K HN 0.559 nan 8.250 nan 0.000 0.447 452 T N 1.991 116.559 114.554 0.024 0.000 2.570 452 T HA -0.214 4.137 4.350 0.001 0.000 0.266 452 T C 1.901 176.620 174.700 0.032 0.000 1.071 452 T CA 2.141 64.255 62.100 0.023 0.000 1.172 452 T CB -0.292 68.588 68.868 0.020 0.000 0.864 452 T HN 0.234 nan 8.240 nan 0.000 0.421 453 I N 1.096 121.691 120.570 0.043 0.000 2.133 453 I HA -0.176 3.994 4.170 0.001 0.000 0.238 453 I C 2.735 178.886 176.117 0.056 0.000 1.074 453 I CA 1.328 62.673 61.300 0.074 0.000 1.342 453 I CB -1.495 36.578 38.000 0.122 0.000 1.053 453 I HN 0.261 nan 8.210 nan 0.000 0.404 454 T N 1.456 116.038 114.554 0.047 0.000 2.527 454 T HA -0.300 4.050 4.350 0.001 0.000 0.258 454 T C 2.053 176.790 174.700 0.061 0.000 1.175 454 T CA 2.786 64.925 62.100 0.065 0.000 1.168 454 T CB -0.868 68.057 68.868 0.094 0.000 0.860 454 T HN 0.583 nan 8.240 nan 0.000 0.429 455 S N 1.716 117.452 115.700 0.060 0.000 2.351 455 S HA -0.064 4.406 4.470 0.001 0.000 0.220 455 S C 2.394 177.032 174.600 0.062 0.000 1.035 455 S CA 1.321 59.559 58.200 0.064 0.000 1.031 455 S CB -1.642 61.597 63.200 0.065 0.000 0.928 455 S HN 0.685 nan 8.310 nan 0.000 0.433 456 G N 3.325 112.150 108.800 0.042 0.000 2.808 456 G HA2 -0.337 3.623 3.960 0.001 0.000 0.225 456 G HA3 -0.337 3.623 3.960 0.001 0.000 0.225 456 G C 1.386 176.281 174.900 -0.008 0.000 1.210 456 G CA 1.754 46.859 45.100 0.008 0.000 0.777 456 G HN 0.516 nan 8.290 nan 0.000 0.640 457 L N -0.017 121.191 121.223 -0.025 0.000 2.010 457 L HA -0.230 4.110 4.340 0.001 0.000 0.219 457 L C 2.954 179.793 176.870 -0.052 0.000 1.077 457 L CA 2.172 56.966 54.840 -0.077 0.000 0.773 457 L CB -0.681 41.359 42.059 -0.030 0.000 0.892 457 L HN 0.255 nan 8.230 nan 0.000 0.436 458 K N -0.573 119.836 120.400 0.015 0.000 1.988 458 K HA -0.308 4.012 4.320 0.001 0.000 0.221 458 K C 2.114 178.733 176.600 0.032 0.000 1.053 458 K CA 2.422 58.726 56.287 0.029 0.000 0.959 458 K CB -0.716 31.811 32.500 0.044 0.000 0.728 458 K HN 0.169 nan 8.250 nan 0.000 0.447 459 Y N 0.905 121.176 120.300 -0.048 0.000 2.136 459 Y HA -0.434 4.117 4.550 0.001 0.000 0.271 459 Y C 2.052 177.925 175.900 -0.046 0.000 1.252 459 Y CA 2.095 60.169 58.100 -0.044 0.000 1.117 459 Y CB -0.397 38.031 38.460 -0.054 0.000 0.932 459 Y HN 0.256 nan 8.280 nan 0.000 0.512 460 A N -0.181 122.742 122.820 0.173 0.000 1.821 460 A HA -0.191 4.129 4.320 0.001 0.000 0.215 460 A C 1.939 179.617 177.584 0.157 0.000 1.216 460 A CA 1.847 53.937 52.037 0.089 0.000 0.615 460 A CB -1.321 17.357 19.000 -0.536 0.000 0.862 460 A HN 0.421 nan 8.150 nan 0.000 0.450 461 L N -0.093 121.186 121.223 0.093 0.000 2.211 461 L HA -0.264 4.076 4.340 0.001 0.000 0.216 461 L C 2.837 179.735 176.870 0.046 0.000 1.092 461 L CA 2.010 56.906 54.840 0.093 0.000 0.767 461 L CB -0.996 41.050 42.059 -0.021 0.000 0.894 461 L HN 0.476 nan 8.230 nan 0.000 0.437 462 A N -1.507 121.312 122.820 -0.001 0.000 1.898 462 A HA -0.097 4.223 4.320 0.001 0.000 0.214 462 A C 2.243 179.796 177.584 -0.052 0.000 1.183 462 A CA 1.944 53.955 52.037 -0.043 0.000 0.622 462 A CB -0.608 18.329 19.000 -0.106 0.000 0.824 462 A HN 0.504 nan 8.150 nan 0.000 0.444 463 T N -4.966 109.551 114.554 -0.061 0.000 3.480 463 T HA 0.493 4.843 4.350 0.001 0.000 0.229 463 T C 1.299 176.039 174.700 0.066 0.000 0.944 463 T CA 1.179 63.261 62.100 -0.030 0.000 1.388 463 T CB -0.046 68.767 68.868 -0.093 0.000 1.180 463 T HN 1.365 nan 8.240 nan 0.000 0.414 464 G N 1.252 110.151 108.800 0.166 0.000 3.216 464 G HA2 0.010 3.970 3.960 0.001 0.000 0.221 464 G HA3 0.010 3.970 3.960 0.001 0.000 0.221 464 G C -0.557 174.528 174.900 0.309 0.000 0.949 464 G CA -0.669 44.563 45.100 0.220 0.000 0.952 464 G HN 0.588 nan 8.290 nan 0.000 0.657 465 N N 1.133 120.046 118.700 0.355 0.000 2.602 465 N HA 0.164 4.904 4.740 0.001 0.000 0.238 465 N C -0.035 175.712 175.510 0.395 0.000 1.084 465 N CA -0.756 52.496 53.050 0.338 0.000 0.952 465 N CB 0.620 39.304 38.487 0.329 0.000 1.244 465 N HN 0.329 nan 8.380 nan 0.000 0.512 466 W N 2.781 124.105 121.300 0.038 0.000 1.216 466 W HA 0.098 4.758 4.660 0.001 0.000 0.512 466 W C 0.229 176.749 176.519 0.001 0.000 0.575 466 W CA -0.425 56.930 57.345 0.017 0.000 2.574 466 W CB 0.101 29.561 29.460 0.000 0.000 1.070 466 W HN 0.546 nan 8.180 nan 0.000 0.266 467 G N 1.028 109.840 108.800 0.021 0.000 2.107 467 G HA2 0.167 4.128 3.960 0.001 0.000 0.297 467 G HA3 0.167 4.128 3.960 0.001 0.000 0.297 467 G C 0.147 174.942 174.900 -0.174 0.000 1.543 467 G CA -0.626 44.442 45.100 -0.053 0.000 1.115 467 G HN 0.228 nan 8.290 nan 0.000 0.550 468 E N 1.112 121.165 120.200 -0.246 0.000 3.019 468 E HA -0.450 3.900 4.350 0.001 0.000 0.199 468 E C 1.950 178.124 176.600 -0.711 0.000 0.940 468 E CA 3.437 59.617 56.400 -0.367 0.000 1.749 468 E CB -0.361 29.193 29.700 -0.244 0.000 1.685 468 E HN 0.932 nan 8.360 nan 0.000 0.404 469 Q N -3.363 116.145 119.800 -0.486 0.000 7.763 469 Q HA 0.063 4.403 4.340 0.001 0.000 0.364 469 Q C -0.328 175.561 176.000 -0.186 0.000 0.928 469 Q CA -0.037 55.485 55.803 -0.468 0.000 0.563 469 Q CB 0.148 28.454 28.738 -0.720 0.000 0.259 469 Q HN 0.095 nan 8.270 nan 0.000 0.878 470 K N 1.008 121.313 120.400 -0.158 0.000 2.168 470 K HA -0.195 4.125 4.320 0.001 0.000 0.446 470 K C -0.746 175.830 176.600 -0.041 0.000 1.612 470 K CA 1.590 57.829 56.287 -0.081 0.000 0.959 470 K CB -0.495 31.961 32.500 -0.075 0.000 1.350 470 K HN 0.355 nan 8.250 nan 0.000 0.820 471 K N 1.285 121.670 120.400 -0.025 0.000 3.006 471 K HA 0.348 4.668 4.320 0.001 0.000 0.265 471 K C -0.666 175.930 176.600 -0.007 0.000 1.279 471 K CA 0.189 56.471 56.287 -0.008 0.000 1.229 471 K CB 0.252 32.749 32.500 -0.005 0.000 1.555 471 K HN 0.471 nan 8.250 nan 0.000 0.300 472 A N 1.317 124.133 122.820 -0.007 0.000 2.580 472 A HA 0.274 4.595 4.320 0.001 0.000 0.301 472 A C -0.495 177.094 177.584 0.009 0.000 1.054 472 A CA -0.956 51.081 52.037 -0.001 0.000 0.751 472 A CB 0.445 19.440 19.000 -0.008 0.000 1.275 472 A HN 0.490 nan 8.150 nan 0.000 0.403 473 M N 1.425 121.038 119.600 0.021 0.000 3.242 473 M HA 0.313 4.793 4.480 0.001 0.000 0.250 473 M C 0.642 176.963 176.300 0.034 0.000 1.239 473 M CA 0.456 55.779 55.300 0.038 0.000 1.205 473 M CB -0.218 32.407 32.600 0.041 0.000 1.189 473 M HN 0.722 nan 8.290 nan 0.000 0.531 474 S N -1.742 113.972 115.700 0.023 0.000 2.754 474 S HA 0.146 4.616 4.470 0.001 0.000 0.223 474 S C 0.684 175.308 174.600 0.041 0.000 0.951 474 S CA -0.009 58.205 58.200 0.022 0.000 0.954 474 S CB -0.920 62.284 63.200 0.007 0.000 0.780 474 S HN 0.694 nan 8.310 nan 0.000 0.509 475 S N 1.639 117.378 115.700 0.064 0.000 2.496 475 S HA 0.563 5.033 4.470 0.001 0.000 0.260 475 S C 0.068 174.728 174.600 0.099 0.000 1.122 475 S CA -1.162 57.104 58.200 0.110 0.000 1.019 475 S CB 0.315 63.611 63.200 0.160 0.000 1.226 475 S HN 0.393 nan 8.310 nan 0.000 0.502 476 R N 0.440 121.014 120.500 0.124 0.000 2.638 476 R HA 0.458 4.798 4.340 0.001 0.000 0.261 476 R C -0.826 175.502 176.300 0.048 0.000 1.515 476 R CA -0.312 55.824 56.100 0.059 0.000 1.623 476 R CB 0.746 31.054 30.300 0.013 0.000 1.347 476 R HN 0.711 nan 8.270 nan 0.000 0.705 477 A N 0.849 123.714 122.820 0.074 0.000 2.532 477 A HA 0.293 4.613 4.320 0.001 0.000 0.269 477 A C 1.204 178.797 177.584 0.015 0.000 1.079 477 A CA 1.257 53.333 52.037 0.065 0.000 0.800 477 A CB -0.338 18.703 19.000 0.069 0.000 1.000 477 A HN 0.868 nan 8.150 nan 0.000 0.522 478 G N 1.573 110.363 108.800 -0.017 0.000 4.142 478 G HA2 0.194 4.155 3.960 0.001 0.000 0.200 478 G HA3 0.194 4.155 3.960 0.001 0.000 0.200 478 G C 0.027 174.874 174.900 -0.089 0.000 0.811 478 G CA 0.321 45.396 45.100 -0.041 0.000 0.855 478 G HN 0.795 nan 8.290 nan 0.000 0.455 479 V N 1.913 121.726 119.914 -0.167 0.000 2.732 479 V HA 0.563 4.683 4.120 0.001 0.000 0.297 479 V C 1.094 177.052 176.094 -0.227 0.000 1.060 479 V CA 0.722 62.823 62.300 -0.331 0.000 1.038 479 V CB 1.197 32.563 31.823 -0.761 0.000 1.003 479 V HN 1.456 nan 8.190 nan 0.000 0.481 480 S N 3.090 118.662 115.700 -0.213 0.000 3.516 480 S HA -0.146 4.324 4.470 0.001 0.000 0.562 480 S C -0.193 174.396 174.600 -0.019 0.000 0.655 480 S CA 0.960 59.102 58.200 -0.097 0.000 1.400 480 S CB -0.552 62.639 63.200 -0.014 0.000 0.946 480 S HN 0.845 nan 8.310 nan 0.000 0.871 481 Q N 1.862 121.669 119.800 0.012 0.000 2.994 481 Q HA 0.739 5.080 4.340 0.001 0.000 0.189 481 Q C 0.222 176.257 176.000 0.059 0.000 1.108 481 Q CA -0.445 55.395 55.803 0.061 0.000 0.683 481 Q CB 0.692 29.520 28.738 0.151 0.000 3.959 481 Q HN 1.093 nan 8.270 nan 0.000 0.357 482 V N 0.176 120.147 119.914 0.094 0.000 2.320 482 V HA 0.297 4.417 4.120 0.001 0.000 0.268 482 V C -0.435 175.689 176.094 0.050 0.000 1.021 482 V CA -1.042 61.278 62.300 0.033 0.000 0.813 482 V CB 0.432 32.250 31.823 -0.009 0.000 1.054 482 V HN 0.567 nan 8.190 nan 0.000 0.444 483 L N 3.034 124.267 121.223 0.015 0.000 4.059 483 L HA -0.132 4.208 4.340 0.001 0.000 0.493 483 L C 0.324 177.160 176.870 -0.056 0.000 1.078 483 L CA 1.264 56.080 54.840 -0.039 0.000 0.633 483 L CB -0.678 41.189 42.059 -0.319 0.000 0.912 483 L HN 0.860 nan 8.230 nan 0.000 0.936 484 N N 3.881 122.668 118.700 0.144 0.000 2.483 484 N HA 0.283 5.023 4.740 0.001 0.000 0.264 484 N C -0.069 175.176 175.510 -0.441 0.000 1.197 484 N CA 0.142 53.038 53.050 -0.256 0.000 0.927 484 N CB 0.418 38.886 38.487 -0.032 0.000 1.065 484 N HN 0.419 nan 8.380 nan 0.000 0.461 485 R N 1.996 121.993 120.500 -0.838 0.000 2.782 485 R HA 0.262 4.602 4.340 0.001 0.000 0.293 485 R C -0.438 175.450 176.300 -0.687 0.000 1.333 485 R CA -0.138 55.506 56.100 -0.759 0.000 1.479 485 R CB -0.153 29.572 30.300 -0.960 0.000 1.306 485 R HN 0.690 nan 8.270 nan 0.000 0.654 486 Y N -2.223 118.057 120.300 -0.035 0.000 2.422 486 Y HA 0.371 4.922 4.550 0.001 0.000 0.291 486 Y C 0.753 176.787 175.900 0.223 0.000 1.144 486 Y CA 0.026 58.185 58.100 0.098 0.000 1.208 486 Y CB 0.912 39.405 38.460 0.055 0.000 1.195 486 Y HN -0.113 nan 8.280 nan 0.000 0.535 487 T N -1.219 113.547 114.554 0.353 0.000 2.900 487 T HA 0.126 4.477 4.350 0.001 0.000 0.303 487 T C -0.341 174.538 174.700 0.299 0.000 1.142 487 T CA -0.668 61.622 62.100 0.317 0.000 1.007 487 T CB 1.635 70.670 68.868 0.279 0.000 1.156 487 T HN 0.039 nan 8.240 nan 0.000 0.490 488 Y N 2.737 123.150 120.300 0.188 0.000 2.053 488 Y HA -0.243 4.307 4.550 0.001 0.000 0.277 488 Y C 2.805 178.819 175.900 0.190 0.000 1.159 488 Y CA 2.795 61.001 58.100 0.177 0.000 1.125 488 Y CB -0.598 37.950 38.460 0.148 0.000 0.969 488 Y HN 0.750 nan 8.280 nan 0.000 0.492 489 S N -1.408 114.485 115.700 0.321 0.000 2.392 489 S HA -0.303 4.167 4.470 0.001 0.000 0.232 489 S C 2.281 176.936 174.600 0.091 0.000 1.041 489 S CA 1.605 59.930 58.200 0.208 0.000 1.026 489 S CB -1.240 62.131 63.200 0.285 0.000 0.845 489 S HN 0.533 nan 8.310 nan 0.000 0.465 490 S N 1.584 117.361 115.700 0.128 0.000 2.338 490 S HA -0.123 4.347 4.470 0.001 0.000 0.218 490 S C 2.009 176.645 174.600 0.059 0.000 1.032 490 S CA 1.800 60.071 58.200 0.119 0.000 0.999 490 S CB -1.395 61.935 63.200 0.216 0.000 0.905 490 S HN 0.674 nan 8.310 nan 0.000 0.439 491 T N 3.352 117.905 114.554 -0.002 0.000 2.714 491 T HA -0.143 4.207 4.350 0.001 0.000 0.268 491 T C 1.678 176.322 174.700 -0.094 0.000 1.036 491 T CA 1.829 63.880 62.100 -0.082 0.000 1.148 491 T CB -0.566 68.208 68.868 -0.157 0.000 0.856 491 T HN 0.334 nan 8.240 nan 0.000 0.462 492 L N 0.437 121.572 121.223 -0.146 0.000 1.961 492 L HA -0.089 4.251 4.340 0.001 0.000 0.209 492 L C 2.867 179.725 176.870 -0.019 0.000 1.075 492 L CA 1.318 56.093 54.840 -0.110 0.000 0.749 492 L CB -1.070 40.912 42.059 -0.128 0.000 0.890 492 L HN 0.251 nan 8.230 nan 0.000 0.433 493 S N -0.864 114.840 115.700 0.007 0.000 2.406 493 S HA -0.404 4.067 4.470 0.001 0.000 0.242 493 S C 2.066 176.714 174.600 0.080 0.000 1.079 493 S CA 2.301 60.521 58.200 0.033 0.000 1.133 493 S CB -0.651 62.570 63.200 0.035 0.000 1.005 493 S HN 0.567 nan 8.310 nan 0.000 0.443 494 H N -0.034 119.020 119.070 -0.026 0.000 2.353 494 H HA -0.035 4.521 4.556 0.001 0.000 0.300 494 H C 2.236 177.549 175.328 -0.026 0.000 1.090 494 H CA 1.575 57.607 56.048 -0.027 0.000 1.327 494 H CB -0.158 29.584 29.762 -0.034 0.000 1.383 494 H HN 0.400 nan 8.280 nan 0.000 0.508 495 L N 0.803 121.980 121.223 -0.077 0.000 2.046 495 L HA -0.157 4.183 4.340 0.001 0.000 0.208 495 L C 1.252 178.088 176.870 -0.056 0.000 1.077 495 L CA 1.321 56.088 54.840 -0.122 0.000 0.747 495 L CB -0.099 41.922 42.059 -0.063 0.000 0.896 495 L HN 0.329 nan 8.230 nan 0.000 0.432 496 R N 0.395 120.885 120.500 -0.017 0.000 3.235 496 R HA 0.401 4.741 4.340 0.001 0.000 0.232 496 R C -0.173 176.126 176.300 -0.001 0.000 1.475 496 R CA -0.201 55.893 56.100 -0.010 0.000 1.405 496 R CB 0.297 30.595 30.300 -0.002 0.000 1.266 496 R HN 0.143 nan 8.270 nan 0.000 0.650 497 R N 0.372 120.873 120.500 0.001 0.000 2.930 497 R HA 0.496 4.836 4.340 0.001 0.000 0.257 497 R C -0.998 175.302 176.300 -0.001 0.000 1.107 497 R CA -0.785 55.324 56.100 0.015 0.000 0.999 497 R CB 2.572 32.915 30.300 0.070 0.000 1.209 497 R HN 0.337 nan 8.270 nan 0.000 0.486 498 T N 1.300 115.852 114.554 -0.003 0.000 3.050 498 T HA 0.221 4.572 4.350 0.001 0.000 0.310 498 T C -1.356 173.336 174.700 -0.012 0.000 0.978 498 T CA -0.658 61.438 62.100 -0.005 0.000 1.013 498 T CB 0.957 69.832 68.868 0.012 0.000 1.000 498 T HN 0.505 nan 8.240 nan 0.000 0.447 499 N N 1.781 120.467 118.700 -0.023 0.000 2.473 499 N HA 0.641 5.381 4.740 0.001 0.000 0.291 499 N C -1.079 174.417 175.510 -0.023 0.000 1.083 499 N CA -0.231 52.801 53.050 -0.029 0.000 0.951 499 N CB 1.019 39.479 38.487 -0.046 0.000 1.164 499 N HN 0.447 nan 8.380 nan 0.000 0.480 500 T N 3.755 118.299 114.554 -0.017 0.000 3.186 500 T HA 0.319 4.669 4.350 0.001 0.000 0.320 500 T C -2.697 171.996 174.700 -0.011 0.000 0.955 500 T CA -0.848 61.248 62.100 -0.007 0.000 1.030 500 T CB 1.425 70.303 68.868 0.017 0.000 1.013 500 T HN 0.495 nan 8.240 nan 0.000 0.454 501 P HA 0.174 nan 4.420 nan 0.000 0.270 501 P C -0.661 176.631 177.300 -0.012 0.000 1.216 501 P CA -0.227 62.864 63.100 -0.016 0.000 0.788 501 P CB 0.536 32.225 31.700 -0.017 0.000 0.883 502 I N -1.996 118.566 120.570 -0.013 0.000 3.436 502 I HA 0.582 4.752 4.170 0.001 0.000 0.300 502 I C 1.738 177.845 176.117 -0.016 0.000 1.131 502 I CA -0.851 60.441 61.300 -0.014 0.000 1.001 502 I CB -0.235 37.756 38.000 -0.015 0.000 1.305 502 I HN 0.411 nan 8.210 nan 0.000 0.494 503 G N 0.113 108.902 108.800 -0.019 0.000 2.736 503 G HA2 -0.046 3.915 3.960 0.001 0.000 0.214 503 G HA3 -0.046 3.915 3.960 0.001 0.000 0.214 503 G C 1.204 176.094 174.900 -0.016 0.000 1.327 503 G CA 1.147 46.235 45.100 -0.020 0.000 0.818 503 G HN 0.630 nan 8.290 nan 0.000 0.611 504 R N -1.693 118.798 120.500 -0.015 0.000 2.517 504 R HA 0.165 4.505 4.340 0.001 0.000 0.228 504 R C -0.789 175.503 176.300 -0.012 0.000 0.950 504 R CA -0.061 56.031 56.100 -0.013 0.000 1.314 504 R CB 1.102 31.395 30.300 -0.012 0.000 1.739 504 R HN 0.316 nan 8.270 nan 0.000 0.481 505 D N -0.759 119.632 120.400 -0.014 0.000 2.610 505 D HA 0.172 4.812 4.640 0.001 0.000 0.271 505 D C -0.425 175.866 176.300 -0.015 0.000 1.174 505 D CA -0.603 53.389 54.000 -0.014 0.000 0.949 505 D CB 1.472 42.263 40.800 -0.014 0.000 1.430 505 D HN 0.084 nan 8.370 nan 0.000 0.467 506 G N 1.417 110.209 108.800 -0.015 0.000 2.198 506 G HA2 -0.136 3.825 3.960 0.001 0.000 0.280 506 G HA3 -0.136 3.825 3.960 0.001 0.000 0.280 506 G C 0.419 175.309 174.900 -0.017 0.000 0.954 506 G CA 0.351 45.442 45.100 -0.015 0.000 1.281 506 G HN 0.065 nan 8.290 nan 0.000 0.373 507 K N 2.572 122.962 120.400 -0.017 0.000 2.243 507 K HA 0.037 4.357 4.320 0.001 0.000 0.232 507 K C 0.383 176.973 176.600 -0.017 0.000 1.237 507 K CA -0.558 55.717 56.287 -0.020 0.000 1.161 507 K CB 0.539 33.027 32.500 -0.020 0.000 1.505 507 K HN 0.421 nan 8.250 nan 0.000 0.271 508 L N 1.815 123.027 121.223 -0.018 0.000 2.454 508 L HA 0.226 4.567 4.340 0.001 0.000 0.284 508 L C 0.201 177.061 176.870 -0.016 0.000 1.139 508 L CA 0.604 55.434 54.840 -0.016 0.000 0.911 508 L CB -0.316 41.734 42.059 -0.015 0.000 1.262 508 L HN 0.647 nan 8.230 nan 0.000 0.453 509 A N 3.534 126.346 122.820 -0.013 0.000 3.547 509 A HA 0.085 4.405 4.320 0.001 0.000 0.067 509 A C 0.902 178.485 177.584 -0.002 0.000 1.327 509 A CA 0.042 52.072 52.037 -0.012 0.000 1.479 509 A CB -0.342 18.646 19.000 -0.020 0.000 1.338 509 A HN 0.470 nan 8.150 nan 0.000 0.601 510 K N 0.921 121.319 120.400 -0.003 0.000 1.986 510 K HA -0.154 4.166 4.320 0.001 0.000 0.230 510 K C -0.995 175.624 176.600 0.031 0.000 1.048 510 K CA 2.148 58.444 56.287 0.015 0.000 1.008 510 K CB -2.068 30.430 32.500 -0.004 0.000 0.737 510 K HN 0.384 nan 8.250 nan 0.000 0.447 511 P HA -0.257 nan 4.420 nan 0.000 0.222 511 P C 0.858 178.183 177.300 0.041 0.000 0.846 511 P CA 1.936 65.054 63.100 0.031 0.000 1.068 511 P CB -0.177 31.529 31.700 0.010 0.000 0.669 512 R N -1.193 119.317 120.500 0.016 0.000 2.246 512 R HA -0.225 4.116 4.340 0.001 0.000 0.266 512 R C 1.388 177.695 176.300 0.013 0.000 1.163 512 R CA 1.236 57.338 56.100 0.003 0.000 0.992 512 R CB -1.009 29.285 30.300 -0.009 0.000 0.895 512 R HN 0.386 nan 8.270 nan 0.000 0.465 513 Q N 0.403 120.222 119.800 0.031 0.000 2.624 513 Q HA 0.083 4.424 4.340 0.001 0.000 0.256 513 Q C -0.746 175.307 176.000 0.088 0.000 1.119 513 Q CA 0.315 56.142 55.803 0.041 0.000 0.995 513 Q CB 0.363 29.125 28.738 0.040 0.000 1.318 513 Q HN 0.092 nan 8.270 nan 0.000 0.534 514 L N 1.724 122.996 121.223 0.081 0.000 2.287 514 L HA 0.351 4.691 4.340 0.001 0.000 0.287 514 L C -1.044 175.935 176.870 0.182 0.000 1.022 514 L CA -0.159 54.776 54.840 0.158 0.000 0.814 514 L CB 0.842 42.934 42.059 0.056 0.000 1.217 514 L HN 0.707 nan 8.230 nan 0.000 0.420 515 H N 2.650 121.851 119.070 0.218 0.000 2.499 515 H HA 0.398 4.954 4.556 0.001 0.000 0.352 515 H C 0.850 176.147 175.328 -0.052 0.000 1.237 515 H CA 0.487 56.465 56.048 -0.116 0.000 1.343 515 H CB 1.110 30.547 29.762 -0.542 0.000 1.578 515 H HN 0.780 nan 8.280 nan 0.000 0.577 516 N N -0.619 117.972 118.700 -0.182 0.000 2.173 516 N HA -0.140 4.600 4.740 0.001 0.000 0.184 516 N C 1.332 176.948 175.510 0.177 0.000 1.025 516 N CA 1.299 54.349 53.050 0.000 0.000 0.852 516 N CB 0.004 38.420 38.487 -0.118 0.000 0.998 516 N HN 0.682 nan 8.380 nan 0.000 0.427 517 T N -1.075 113.655 114.554 0.292 0.000 3.052 517 T HA -0.120 4.230 4.350 0.001 0.000 0.270 517 T C 1.284 176.086 174.700 0.171 0.000 1.147 517 T CA 0.985 63.185 62.100 0.167 0.000 1.089 517 T CB -0.325 68.536 68.868 -0.011 0.000 0.875 517 T HN 0.257 nan 8.240 nan 0.000 0.541 518 H N -0.652 118.471 119.070 0.089 0.000 2.482 518 H HA 0.133 4.690 4.556 0.001 0.000 0.286 518 H C 0.954 176.292 175.328 0.017 0.000 1.017 518 H CA -0.230 55.741 56.048 -0.129 0.000 1.322 518 H CB -0.488 29.159 29.762 -0.192 0.000 1.426 518 H HN 0.563 nan 8.280 nan 0.000 0.546 519 W N 2.554 123.910 121.300 0.093 0.000 2.493 519 W HA 0.000 4.661 4.660 0.001 0.000 0.337 519 W C 1.030 177.582 176.519 0.056 0.000 1.234 519 W CA 1.991 59.367 57.345 0.051 0.000 1.286 519 W CB -0.040 29.438 29.460 0.029 0.000 1.188 519 W HN 0.553 nan 8.180 nan 0.000 0.564 520 G N 4.084 112.378 108.800 -0.844 0.000 2.328 520 G HA2 -0.374 3.586 3.960 0.001 0.000 0.256 520 G HA3 -0.374 3.586 3.960 0.001 0.000 0.256 520 G C 0.912 175.687 174.900 -0.209 0.000 1.014 520 G CA 0.755 45.499 45.100 -0.594 0.000 0.620 520 G HN 0.581 nan 8.290 nan 0.000 0.530 521 L N -0.323 120.869 121.223 -0.053 0.000 2.221 521 L HA 0.315 4.655 4.340 0.001 0.000 0.202 521 L C 1.082 177.948 176.870 -0.008 0.000 1.074 521 L CA 0.748 55.621 54.840 0.055 0.000 0.795 521 L CB -0.141 42.109 42.059 0.319 0.000 0.960 521 L HN 0.171 nan 8.230 nan 0.000 0.458 522 V N -0.771 119.085 119.914 -0.096 0.000 2.715 522 V HA 0.211 4.331 4.120 0.001 0.000 0.310 522 V C -0.167 175.807 176.094 -0.201 0.000 1.054 522 V CA -1.230 60.963 62.300 -0.179 0.000 0.928 522 V CB 2.544 34.142 31.823 -0.375 0.000 1.007 522 V HN 0.235 nan 8.190 nan 0.000 0.437 523 C N 6.410 125.606 119.300 -0.174 0.000 2.644 523 C HA 0.323 4.783 4.460 0.001 0.000 0.417 523 C C -0.260 174.628 174.990 -0.170 0.000 1.304 523 C CA -0.668 58.254 59.018 -0.160 0.000 2.035 523 C CB 0.542 28.207 27.740 -0.124 0.000 2.673 523 C HN 0.870 nan 8.230 nan 0.000 0.602 524 P HA 0.090 nan 4.420 nan 0.000 0.226 524 P C 0.698 177.942 177.300 -0.093 0.000 1.161 524 P CA 1.517 64.552 63.100 -0.109 0.000 0.804 524 P CB 0.204 31.866 31.700 -0.063 0.000 0.829 525 A N 0.029 122.796 122.820 -0.090 0.000 2.229 525 A HA 0.079 4.400 4.320 0.001 0.000 0.211 525 A C 1.280 178.804 177.584 -0.101 0.000 1.193 525 A CA -0.039 51.946 52.037 -0.086 0.000 0.879 525 A CB -0.467 18.494 19.000 -0.065 0.000 0.911 525 A HN 0.166 nan 8.150 nan 0.000 0.492 526 E N 1.272 121.412 120.200 -0.100 0.000 1.861 526 E HA 0.339 4.689 4.350 0.001 0.000 0.263 526 E C -0.710 175.831 176.600 -0.099 0.000 1.137 526 E CA 0.001 56.345 56.400 -0.093 0.000 0.944 526 E CB 0.005 29.657 29.700 -0.080 0.000 1.092 526 E HN 0.176 nan 8.360 nan 0.000 0.420 527 T N 3.687 118.180 114.554 -0.103 0.000 2.900 527 T HA 0.422 4.773 4.350 0.001 0.000 0.303 527 T C -2.774 171.872 174.700 -0.090 0.000 1.142 527 T CA -1.894 60.148 62.100 -0.097 0.000 1.007 527 T CB 1.651 70.454 68.868 -0.107 0.000 1.156 527 T HN 0.274 nan 8.240 nan 0.000 0.490 528 P HA 0.218 nan 4.420 nan 0.000 0.271 528 P C -0.291 176.972 177.300 -0.062 0.000 1.233 528 P CA -0.119 62.944 63.100 -0.061 0.000 0.764 528 P CB 0.436 32.106 31.700 -0.050 0.000 0.825 529 E N 1.826 121.990 120.200 -0.060 0.000 2.418 529 E HA 0.263 4.613 4.350 0.001 0.000 0.261 529 E C 1.175 177.758 176.600 -0.029 0.000 1.070 529 E CA 0.379 56.746 56.400 -0.055 0.000 0.931 529 E CB 0.134 29.814 29.700 -0.034 0.000 0.954 529 E HN 0.725 nan 8.360 nan 0.000 0.439 530 G N 1.610 110.395 108.800 -0.025 0.000 2.622 530 G HA2 -0.420 3.541 3.960 0.001 0.000 0.272 530 G HA3 -0.420 3.541 3.960 0.001 0.000 0.272 530 G C 0.533 175.421 174.900 -0.020 0.000 1.308 530 G CA 0.555 45.646 45.100 -0.016 0.000 0.919 530 G HN 0.896 nan 8.290 nan 0.000 0.565 531 Q N -2.353 117.438 119.800 -0.016 0.000 2.599 531 Q HA -0.349 3.991 4.340 0.001 0.000 0.464 531 Q C 1.776 177.764 176.000 -0.021 0.000 0.526 531 Q CA 2.660 58.453 55.803 -0.017 0.000 0.994 531 Q CB -1.733 26.995 28.738 -0.016 0.000 2.123 531 Q HN 2.482 nan 8.270 nan 0.000 1.069 532 A N 0.839 123.645 122.820 -0.024 0.000 3.033 532 A HA 0.316 4.636 4.320 0.001 0.000 0.250 532 A C 0.339 177.903 177.584 -0.034 0.000 1.633 532 A CA 0.208 52.229 52.037 -0.026 0.000 1.290 532 A CB -0.842 18.142 19.000 -0.026 0.000 1.048 532 A HN 0.503 nan 8.150 nan 0.000 0.648 533 C N 0.768 120.047 119.300 -0.035 0.000 2.619 533 C HA 0.475 4.936 4.460 0.001 0.000 0.389 533 C C 1.723 176.685 174.990 -0.047 0.000 1.314 533 C CA 1.095 60.086 59.018 -0.046 0.000 1.678 533 C CB -1.798 25.914 27.740 -0.047 0.000 2.398 533 C HN 1.644 nan 8.230 nan 0.000 0.582 534 G N 4.881 113.645 108.800 -0.060 0.000 2.176 534 G HA2 -0.243 3.718 3.960 0.001 0.000 0.253 534 G HA3 -0.243 3.718 3.960 0.001 0.000 0.253 534 G C 0.546 175.416 174.900 -0.050 0.000 0.979 534 G CA 0.530 45.591 45.100 -0.065 0.000 0.641 534 G HN 0.702 nan 8.290 nan 0.000 0.530 535 L N -0.141 121.059 121.223 -0.038 0.000 2.416 535 L HA 0.315 4.655 4.340 0.001 0.000 0.216 535 L C 0.763 177.616 176.870 -0.028 0.000 1.098 535 L CA 0.508 55.334 54.840 -0.024 0.000 0.840 535 L CB 0.482 42.529 42.059 -0.020 0.000 0.981 535 L HN 0.143 nan 8.230 nan 0.000 0.462 536 V N 0.674 120.564 119.914 -0.041 0.000 2.417 536 V HA 0.312 4.432 4.120 0.001 0.000 0.291 536 V C -0.354 175.703 176.094 -0.061 0.000 1.024 536 V CA -0.708 61.568 62.300 -0.040 0.000 0.861 536 V CB 1.635 33.436 31.823 -0.036 0.000 0.985 536 V HN 0.121 nan 8.190 nan 0.000 0.436 537 K N 3.146 123.509 120.400 -0.063 0.000 2.350 537 K HA 0.572 4.892 4.320 0.001 0.000 0.241 537 K C -0.920 175.639 176.600 -0.067 0.000 0.994 537 K CA -1.019 55.210 56.287 -0.097 0.000 0.839 537 K CB 1.843 34.249 32.500 -0.156 0.000 1.244 537 K HN 0.469 nan 8.250 nan 0.000 0.443 538 N N 1.692 120.342 118.700 -0.084 0.000 2.417 538 N HA 0.299 5.039 4.740 0.001 0.000 0.274 538 N C -0.613 174.856 175.510 -0.068 0.000 0.987 538 N CA -0.456 52.559 53.050 -0.058 0.000 0.912 538 N CB 1.161 39.615 38.487 -0.055 0.000 1.177 538 N HN 0.373 nan 8.380 nan 0.000 0.490 539 L N 1.144 122.342 121.223 -0.041 0.000 2.499 539 L HA 0.030 4.371 4.340 0.001 0.000 0.281 539 L C 1.381 178.216 176.870 -0.058 0.000 1.234 539 L CA 0.422 55.239 54.840 -0.039 0.000 0.839 539 L CB 0.299 42.342 42.059 -0.027 0.000 1.104 539 L HN 0.425 nan 8.230 nan 0.000 0.500 540 S N 0.913 116.568 115.700 -0.074 0.000 2.625 540 S HA 0.218 4.688 4.470 0.001 0.000 0.258 540 S C 1.168 175.727 174.600 -0.067 0.000 1.256 540 S CA -0.642 57.500 58.200 -0.096 0.000 0.983 540 S CB 0.579 63.696 63.200 -0.137 0.000 1.032 540 S HN 0.442 nan 8.310 nan 0.000 0.572 541 L N 0.310 121.495 121.223 -0.064 0.000 2.084 541 L HA -0.017 4.324 4.340 0.001 0.000 0.202 541 L C 2.418 179.219 176.870 -0.115 0.000 1.074 541 L CA 0.777 55.623 54.840 0.011 0.000 0.757 541 L CB -0.328 41.783 42.059 0.086 0.000 0.918 541 L HN 0.534 nan 8.230 nan 0.000 0.444 542 M N 0.181 119.622 119.600 -0.266 0.000 2.132 542 M HA -0.046 4.434 4.480 0.001 0.000 0.263 542 M C 1.557 177.641 176.300 -0.359 0.000 1.065 542 M CA 0.768 55.724 55.300 -0.573 0.000 1.122 542 M CB -1.190 31.141 32.600 -0.447 0.000 1.365 542 M HN 0.313 nan 8.290 nan 0.000 0.411 543 S N -0.178 115.398 115.700 -0.207 0.000 2.525 543 S HA 0.024 4.494 4.470 0.001 0.000 0.282 543 S C 0.226 174.677 174.600 -0.247 0.000 1.324 543 S CA -0.473 57.615 58.200 -0.188 0.000 1.025 543 S CB 0.110 63.234 63.200 -0.127 0.000 0.820 543 S HN 0.522 nan 8.310 nan 0.000 0.514 544 C N 0.919 119.926 119.300 -0.488 0.000 3.306 544 C HA 0.606 5.067 4.460 0.001 0.000 0.335 544 C C -0.592 173.858 174.990 -0.900 0.000 1.382 544 C CA -0.868 57.783 59.018 -0.611 0.000 1.254 544 C CB 1.056 28.425 27.740 -0.618 0.000 1.555 544 C HN 0.935 nan 8.230 nan 0.000 0.463 545 I N 1.885 122.124 120.570 -0.552 0.000 2.603 545 I HA 0.380 4.550 4.170 0.001 0.000 0.300 545 I C 0.282 176.363 176.117 -0.060 0.000 1.017 545 I CA -0.039 61.055 61.300 -0.344 0.000 1.098 545 I CB 2.106 40.012 38.000 -0.156 0.000 1.279 545 I HN 0.776 nan 8.210 nan 0.000 0.437 546 S N 4.107 119.888 115.700 0.135 0.000 2.465 546 S HA 0.075 4.546 4.470 0.001 0.000 0.280 546 S C 0.713 175.376 174.600 0.105 0.000 1.232 546 S CA -0.653 57.701 58.200 0.256 0.000 1.066 546 S CB 1.296 64.622 63.200 0.210 0.000 0.929 546 S HN 0.575 nan 8.310 nan 0.000 0.494 547 V N 3.833 123.807 119.914 0.099 0.000 2.323 547 V HA 0.380 4.501 4.120 0.001 0.000 0.244 547 V C 1.065 177.159 176.094 -0.000 0.000 1.041 547 V CA 2.009 64.331 62.300 0.037 0.000 1.025 547 V CB -0.739 31.096 31.823 0.019 0.000 0.656 547 V HN 1.638 nan 8.190 nan 0.000 0.451 548 G N -0.400 108.398 108.800 -0.004 0.000 2.873 548 G HA2 0.207 4.167 3.960 0.001 0.000 0.507 548 G HA3 0.207 4.167 3.960 0.001 0.000 0.507 548 G C -0.576 174.293 174.900 -0.051 0.000 1.440 548 G CA -0.195 44.889 45.100 -0.025 0.000 1.016 548 G HN 0.539 nan 8.290 nan 0.000 0.615 549 T N 1.530 116.073 114.554 -0.017 0.000 2.938 549 T HA 0.670 5.020 4.350 0.001 0.000 0.285 549 T C -0.556 174.145 174.700 0.001 0.000 1.028 549 T CA -0.651 61.440 62.100 -0.014 0.000 1.005 549 T CB 2.023 70.890 68.868 -0.002 0.000 1.157 549 T HN 0.551 nan 8.240 nan 0.000 0.550 550 D N 1.231 121.639 120.400 0.013 0.000 2.177 550 D HA 0.267 4.907 4.640 0.001 0.000 0.247 550 D C -1.308 175.005 176.300 0.022 0.000 1.063 550 D CA -2.251 51.765 54.000 0.026 0.000 0.867 550 D CB 1.850 42.676 40.800 0.042 0.000 1.168 550 D HN 0.095 nan 8.370 nan 0.000 0.445 551 P HA -0.137 nan 4.420 nan 0.000 0.213 551 P C 1.829 179.127 177.300 -0.003 0.000 1.170 551 P CA 1.008 64.118 63.100 0.017 0.000 0.889 551 P CB 0.333 32.056 31.700 0.038 0.000 0.782 552 M N 0.580 120.185 119.600 0.009 0.000 2.270 552 M HA -0.171 4.309 4.480 0.001 0.000 0.254 552 M C -0.367 175.953 176.300 0.032 0.000 1.072 552 M CA 3.407 58.715 55.300 0.014 0.000 1.077 552 M CB -2.784 29.833 32.600 0.029 0.000 1.288 552 M HN 0.061 nan 8.290 nan 0.000 0.424 553 P HA -0.079 nan 4.420 nan 0.000 0.236 553 P C 0.900 178.257 177.300 0.095 0.000 1.172 553 P CA 1.447 64.597 63.100 0.083 0.000 0.759 553 P CB -0.167 31.571 31.700 0.064 0.000 0.843 554 I N -2.592 117.998 120.570 0.033 0.000 4.433 554 I HA 0.087 4.258 4.170 0.001 0.000 0.322 554 I C 2.369 178.492 176.117 0.009 0.000 1.284 554 I CA -0.129 61.160 61.300 -0.017 0.000 1.269 554 I CB 0.113 38.059 38.000 -0.089 0.000 1.219 554 I HN -0.221 nan 8.210 nan 0.000 0.436 555 I N 1.178 121.729 120.570 -0.030 0.000 2.133 555 I HA -0.251 3.919 4.170 0.001 0.000 0.238 555 I C 2.504 178.623 176.117 0.004 0.000 1.074 555 I CA 1.780 63.017 61.300 -0.106 0.000 1.342 555 I CB -0.056 37.830 38.000 -0.190 0.000 1.053 555 I HN 0.199 nan 8.210 nan 0.000 0.404 556 T N 0.869 115.451 114.554 0.046 0.000 2.595 556 T HA -0.291 4.059 4.350 0.001 0.000 0.264 556 T C 1.715 176.502 174.700 0.145 0.000 1.058 556 T CA 1.838 63.985 62.100 0.078 0.000 1.166 556 T CB -0.719 68.194 68.868 0.075 0.000 0.863 556 T HN 0.296 nan 8.240 nan 0.000 0.415 557 F N 0.954 120.915 119.950 0.017 0.000 2.176 557 F HA -0.205 4.322 4.527 0.001 0.000 0.301 557 F C 1.953 177.797 175.800 0.073 0.000 1.071 557 F CA 1.128 59.153 58.000 0.042 0.000 1.289 557 F CB -0.164 38.825 39.000 -0.019 0.000 1.028 557 F HN 0.110 nan 8.300 nan 0.000 0.494 558 L N -0.597 120.810 121.223 0.307 0.000 2.071 558 L HA -0.124 4.216 4.340 0.001 0.000 0.201 558 L C 2.204 179.174 176.870 0.166 0.000 1.076 558 L CA 1.096 56.061 54.840 0.207 0.000 0.755 558 L CB -0.660 41.451 42.059 0.087 0.000 0.915 558 L HN 0.112 nan 8.230 nan 0.000 0.445 559 S N -0.409 115.354 115.700 0.106 0.000 3.110 559 S HA -0.026 4.445 4.470 0.001 0.000 0.253 559 S C 0.489 175.129 174.600 0.066 0.000 1.074 559 S CA 0.295 58.542 58.200 0.077 0.000 1.201 559 S CB -0.535 62.698 63.200 0.055 0.000 0.889 559 S HN 0.451 nan 8.310 nan 0.000 0.490 560 E N -1.109 119.154 120.200 0.105 0.000 3.313 560 E HA 0.174 4.524 4.350 0.001 0.000 0.164 560 E C -1.144 175.472 176.600 0.027 0.000 0.947 560 E CA -0.090 56.330 56.400 0.034 0.000 1.390 560 E CB 0.440 30.146 29.700 0.010 0.000 1.058 560 E HN 0.726 nan 8.360 nan 0.000 0.436 561 W N -0.396 120.860 121.300 -0.074 0.000 1.262 561 W HA 0.231 4.891 4.660 0.001 0.000 0.190 561 W C 0.884 177.317 176.519 -0.142 0.000 0.745 561 W CA 0.245 57.534 57.345 -0.094 0.000 0.841 561 W CB 1.661 31.070 29.460 -0.085 0.000 0.861 561 W HN 0.188 nan 8.180 nan 0.000 0.455 562 G N 1.340 110.184 108.800 0.074 0.000 2.207 562 G HA2 -0.092 3.869 3.960 0.001 0.000 0.193 562 G HA3 -0.092 3.869 3.960 0.001 0.000 0.193 562 G C -0.512 174.571 174.900 0.305 0.000 1.050 562 G CA -0.411 44.833 45.100 0.240 0.000 0.780 562 G HN 0.039 nan 8.290 nan 0.000 0.504 563 M N 1.856 121.535 119.600 0.133 0.000 2.152 563 M HA 0.506 4.987 4.480 0.001 0.000 0.354 563 M C 0.173 176.524 176.300 0.086 0.000 1.173 563 M CA -0.317 55.056 55.300 0.123 0.000 1.110 563 M CB 0.213 32.864 32.600 0.085 0.000 1.366 563 M HN 0.145 nan 8.290 nan 0.000 0.415 564 E N 7.071 127.321 120.200 0.083 0.000 2.292 564 E HA 0.122 4.472 4.350 0.001 0.000 0.265 564 E C -2.105 174.484 176.600 -0.018 0.000 1.093 564 E CA -1.592 54.823 56.400 0.025 0.000 0.922 564 E CB 0.288 30.000 29.700 0.018 0.000 1.001 564 E HN 0.450 nan 8.360 nan 0.000 0.444 565 P HA -0.127 nan 4.420 nan 0.000 0.258 565 P C 0.806 178.021 177.300 -0.142 0.000 1.187 565 P CA -0.010 63.063 63.100 -0.046 0.000 0.767 565 P CB 0.722 32.413 31.700 -0.015 0.000 0.770 566 L N 4.322 125.393 121.223 -0.253 0.000 2.256 566 L HA -0.275 4.065 4.340 0.001 0.000 0.218 566 L C 2.128 178.735 176.870 -0.437 0.000 1.089 566 L CA 1.956 56.474 54.840 -0.538 0.000 0.777 566 L CB -0.795 40.873 42.059 -0.652 0.000 0.890 566 L HN 0.308 nan 8.230 nan 0.000 0.439 567 E N 0.062 120.143 120.200 -0.198 0.000 2.147 567 E HA -0.184 4.167 4.350 0.001 0.000 0.199 567 E C 0.344 176.891 176.600 -0.088 0.000 1.005 567 E CA 1.599 57.938 56.400 -0.103 0.000 0.810 567 E CB -0.449 29.212 29.700 -0.065 0.000 0.736 567 E HN 0.679 nan 8.360 nan 0.000 0.460 568 D N -0.161 120.168 120.400 -0.118 0.000 2.517 568 D HA 0.086 4.727 4.640 0.001 0.000 0.301 568 D C -0.461 175.774 176.300 -0.108 0.000 1.202 568 D CA -0.348 53.605 54.000 -0.079 0.000 0.910 568 D CB -0.093 40.669 40.800 -0.063 0.000 1.021 568 D HN 0.012 nan 8.370 nan 0.000 0.499 569 Y N 1.234 121.343 120.300 -0.319 0.000 2.392 569 Y HA 0.447 4.997 4.550 0.001 0.000 0.323 569 Y C -0.155 175.663 175.900 -0.136 0.000 1.291 569 Y CA -0.920 56.972 58.100 -0.347 0.000 1.345 569 Y CB 1.310 39.319 38.460 -0.752 0.000 1.320 569 Y HN 0.039 nan 8.280 nan 0.000 0.518 570 V N 2.305 121.532 119.914 -1.146 0.000 2.707 570 V HA 0.281 4.401 4.120 0.001 0.000 0.271 570 V C -2.348 173.113 176.094 -1.056 0.000 1.013 570 V CA -1.389 60.396 62.300 -0.858 0.000 0.908 570 V CB 1.065 32.505 31.823 -0.640 0.000 1.051 570 V HN 0.688 nan 8.190 nan 0.000 0.476 571 P HA -0.266 nan 4.420 nan 0.000 0.218 571 P C 1.065 178.328 177.300 -0.062 0.000 1.154 571 P CA 2.614 65.652 63.100 -0.103 0.000 0.872 571 P CB 0.042 31.897 31.700 0.257 0.000 0.790 572 H N -0.666 118.348 119.070 -0.094 0.000 2.300 572 H HA 0.071 4.628 4.556 0.001 0.000 0.312 572 H C 2.255 177.530 175.328 -0.088 0.000 1.057 572 H CA 0.681 56.697 56.048 -0.054 0.000 1.380 572 H CB -1.268 28.476 29.762 -0.031 0.000 1.424 572 H HN 0.141 nan 8.280 nan 0.000 0.534 573 Q N 1.557 121.208 119.800 -0.248 0.000 2.082 573 Q HA -0.125 4.215 4.340 0.001 0.000 0.211 573 Q C 0.191 176.098 176.000 -0.155 0.000 1.002 573 Q CA 1.928 57.630 55.803 -0.169 0.000 0.868 573 Q CB 0.046 28.643 28.738 -0.234 0.000 0.931 573 Q HN 0.296 nan 8.270 nan 0.000 0.414 574 S N 1.813 117.357 115.700 -0.260 0.000 2.475 574 S HA 0.214 4.684 4.470 0.001 0.000 0.249 574 S C -2.016 172.519 174.600 -0.108 0.000 1.298 574 S CA -1.226 56.867 58.200 -0.178 0.000 1.125 574 S CB 1.673 64.740 63.200 -0.222 0.000 1.054 574 S HN 0.379 nan 8.310 nan 0.000 0.484 575 P HA -0.028 nan 4.420 nan 0.000 0.203 575 P C -0.128 177.248 177.300 0.126 0.000 1.202 575 P CA 0.940 64.085 63.100 0.075 0.000 0.917 575 P CB 0.035 31.777 31.700 0.071 0.000 0.750 576 D N 0.639 121.096 120.400 0.095 0.000 2.885 576 D HA 0.292 4.933 4.640 0.001 0.000 0.234 576 D C 0.993 177.342 176.300 0.081 0.000 1.129 576 D CA 0.125 54.184 54.000 0.098 0.000 0.991 576 D CB -0.154 40.689 40.800 0.071 0.000 1.137 576 D HN 0.178 nan 8.370 nan 0.000 0.459 577 A N 0.396 123.283 122.820 0.112 0.000 2.238 577 A HA 0.277 4.598 4.320 0.001 0.000 0.276 577 A C 0.949 178.572 177.584 0.065 0.000 1.464 577 A CA 0.204 52.297 52.037 0.094 0.000 0.835 577 A CB 0.296 19.406 19.000 0.183 0.000 1.277 577 A HN 0.243 nan 8.150 nan 0.000 0.534 578 T N 0.554 115.137 114.554 0.049 0.000 4.314 578 T HA 0.195 4.545 4.350 0.001 0.000 0.262 578 T C -0.438 174.249 174.700 -0.023 0.000 0.939 578 T CA -0.424 61.687 62.100 0.020 0.000 1.179 578 T CB -0.396 68.494 68.868 0.036 0.000 0.973 578 T HN 0.836 nan 8.240 nan 0.000 0.525 579 R N 0.636 121.105 120.500 -0.052 0.000 2.543 579 R HA 0.055 4.395 4.340 0.001 0.000 0.280 579 R C -0.480 175.628 176.300 -0.320 0.000 0.885 579 R CA 0.068 56.117 56.100 -0.085 0.000 1.130 579 R CB -0.421 29.751 30.300 -0.215 0.000 0.871 579 R HN 0.144 nan 8.270 nan 0.000 0.424 580 V N 5.059 124.900 119.914 -0.122 0.000 2.567 580 V HA 0.379 4.500 4.120 0.001 0.000 0.289 580 V C 0.094 176.115 176.094 -0.122 0.000 1.049 580 V CA -0.304 61.934 62.300 -0.103 0.000 0.969 580 V CB 0.768 32.633 31.823 0.071 0.000 0.995 580 V HN 0.595 nan 8.190 nan 0.000 0.471 581 F N 2.789 122.772 119.950 0.055 0.000 2.507 581 F HA 0.677 5.205 4.527 0.001 0.000 0.325 581 F C -0.220 175.649 175.800 0.115 0.000 1.116 581 F CA -0.939 57.105 58.000 0.072 0.000 0.930 581 F CB 2.251 41.224 39.000 -0.044 0.000 1.146 581 F HN 0.192 nan 8.300 nan 0.000 0.447 582 V N 3.860 124.066 119.914 0.487 0.000 2.569 582 V HA 0.261 4.382 4.120 0.001 0.000 0.301 582 V C -0.533 175.801 176.094 0.400 0.000 1.044 582 V CA -0.990 61.536 62.300 0.378 0.000 0.874 582 V CB 1.623 33.660 31.823 0.356 0.000 1.002 582 V HN 0.867 nan 8.190 nan 0.000 0.424 583 N N 4.012 122.955 118.700 0.405 0.000 2.710 583 N HA -0.199 4.541 4.740 0.001 0.000 0.249 583 N C 0.967 176.635 175.510 0.262 0.000 1.059 583 N CA 1.761 55.013 53.050 0.338 0.000 0.720 583 N CB -1.036 37.583 38.487 0.220 0.000 0.983 583 N HN 1.618 nan 8.380 nan 0.000 0.544 584 G N -2.350 106.646 108.800 0.328 0.000 2.246 584 G HA2 -0.209 3.752 3.960 0.001 0.000 0.273 584 G HA3 -0.209 3.752 3.960 0.001 0.000 0.273 584 G C -0.236 174.800 174.900 0.227 0.000 1.055 584 G CA 0.327 45.525 45.100 0.163 0.000 0.851 584 G HN 0.588 nan 8.290 nan 0.000 0.500 585 V N -0.328 119.749 119.914 0.271 0.000 2.709 585 V HA 0.613 4.733 4.120 0.001 0.000 0.308 585 V C -0.252 176.065 176.094 0.372 0.000 1.062 585 V CA -1.221 61.151 62.300 0.120 0.000 0.901 585 V CB 1.968 33.657 31.823 -0.223 0.000 1.003 585 V HN 0.350 nan 8.190 nan 0.000 0.425 586 W N 4.787 126.238 121.300 0.253 0.000 2.365 586 W HA 0.393 5.053 4.660 0.001 0.000 0.371 586 W C 0.964 177.448 176.519 -0.059 0.000 1.006 586 W CA -0.606 56.884 57.345 0.243 0.000 1.528 586 W CB -0.168 29.520 29.460 0.381 0.000 1.497 586 W HN 0.705 nan 8.180 nan 0.000 0.367 587 H N 2.990 122.265 119.070 0.342 0.000 2.539 587 H HA 0.231 4.788 4.556 0.001 0.000 0.267 587 H C 1.356 176.687 175.328 0.004 0.000 0.982 587 H CA 1.185 57.312 56.048 0.131 0.000 1.146 587 H CB 0.280 30.120 29.762 0.129 0.000 1.382 587 H HN 0.530 nan 8.280 nan 0.000 0.577 588 G N -0.188 108.608 108.800 -0.007 0.000 2.280 588 G HA2 -0.001 3.959 3.960 0.001 0.000 0.277 588 G HA3 -0.001 3.959 3.960 0.001 0.000 0.277 588 G C -1.468 173.411 174.900 -0.035 0.000 1.288 588 G CA -0.306 44.674 45.100 -0.200 0.000 1.075 588 G HN 0.138 nan 8.290 nan 0.000 0.480 589 V N -0.293 119.614 119.914 -0.013 0.000 3.160 589 V HA 0.858 4.979 4.120 0.001 0.000 0.310 589 V C -0.550 175.631 176.094 0.146 0.000 1.181 589 V CA -0.506 61.840 62.300 0.076 0.000 1.047 589 V CB 2.086 33.950 31.823 0.067 0.000 1.068 589 V HN 1.409 nan 8.190 nan 0.000 0.441 590 H N 0.819 119.915 119.070 0.045 0.000 2.851 590 H HA 0.669 5.225 4.556 0.001 0.000 0.372 590 H C 0.094 175.454 175.328 0.053 0.000 1.158 590 H CA -0.718 55.362 56.048 0.053 0.000 1.159 590 H CB 1.660 31.464 29.762 0.069 0.000 1.757 590 H HN 0.594 nan 8.280 nan 0.000 0.546 591 R N 1.291 121.377 120.500 -0.692 0.000 2.743 591 R HA 0.057 4.398 4.340 0.001 0.000 0.167 591 R C 0.206 176.137 176.300 -0.614 0.000 0.873 591 R CA -0.624 55.177 56.100 -0.498 0.000 1.366 591 R CB -0.443 29.664 30.300 -0.321 0.000 0.940 591 R HN 0.686 nan 8.270 nan 0.000 0.545 592 N N 3.482 121.989 118.700 -0.323 0.000 2.211 592 N HA -0.083 4.657 4.740 0.001 0.000 0.283 592 N C -1.654 173.863 175.510 0.013 0.000 1.393 592 N CA -0.233 52.748 53.050 -0.114 0.000 0.954 592 N CB 0.492 38.965 38.487 -0.023 0.000 1.349 592 N HN 0.295 nan 8.380 nan 0.000 0.491 593 P HA 0.054 nan 4.420 nan 0.000 0.245 593 P C 1.051 178.453 177.300 0.170 0.000 1.199 593 P CA 0.225 63.506 63.100 0.302 0.000 0.807 593 P CB 0.131 31.989 31.700 0.262 0.000 1.002 594 A N 1.636 124.521 122.820 0.109 0.000 2.001 594 A HA -0.261 4.059 4.320 0.001 0.000 0.224 594 A C 2.294 179.928 177.584 0.083 0.000 1.203 594 A CA 2.058 54.142 52.037 0.078 0.000 0.667 594 A CB -1.132 17.905 19.000 0.061 0.000 0.823 594 A HN 0.225 nan 8.150 nan 0.000 0.473 595 R N -2.088 118.482 120.500 0.117 0.000 2.195 595 R HA 0.210 4.551 4.340 0.001 0.000 0.197 595 R C 1.995 178.364 176.300 0.114 0.000 0.990 595 R CA 0.488 56.656 56.100 0.114 0.000 1.048 595 R CB -0.391 29.994 30.300 0.142 0.000 0.997 595 R HN 0.454 nan 8.270 nan 0.000 0.502 596 L N 1.119 122.443 121.223 0.168 0.000 2.103 596 L HA -0.221 4.119 4.340 0.001 0.000 0.215 596 L C 2.104 178.955 176.870 -0.031 0.000 1.080 596 L CA 1.842 56.742 54.840 0.100 0.000 0.764 596 L CB -0.278 41.847 42.059 0.110 0.000 0.890 596 L HN 0.129 nan 8.230 nan 0.000 0.435 597 M N -0.161 119.442 119.600 0.004 0.000 2.064 597 M HA -0.183 4.298 4.480 0.001 0.000 0.260 597 M C 2.273 178.537 176.300 -0.060 0.000 1.073 597 M CA 2.120 57.399 55.300 -0.035 0.000 1.124 597 M CB -0.534 32.065 32.600 -0.001 0.000 1.326 597 M HN 0.453 nan 8.290 nan 0.000 0.410 598 E N -1.342 118.844 120.200 -0.023 0.000 2.208 598 E HA -0.248 4.102 4.350 0.001 0.000 0.202 598 E C 1.426 177.982 176.600 -0.074 0.000 1.014 598 E CA 1.998 58.382 56.400 -0.026 0.000 0.819 598 E CB -0.059 29.648 29.700 0.013 0.000 0.735 598 E HN 0.570 nan 8.360 nan 0.000 0.469 599 T N 0.719 115.192 114.554 -0.136 0.000 2.668 599 T HA -0.061 4.289 4.350 0.001 0.000 0.258 599 T C 1.840 176.358 174.700 -0.304 0.000 1.051 599 T CA 1.289 63.217 62.100 -0.286 0.000 1.155 599 T CB -0.253 68.205 68.868 -0.684 0.000 0.864 599 T HN 0.160 nan 8.240 nan 0.000 0.413 600 L N 0.589 121.616 121.223 -0.327 0.000 2.129 600 L HA -0.173 4.168 4.340 0.001 0.000 0.212 600 L C 2.857 179.590 176.870 -0.229 0.000 1.087 600 L CA 1.402 56.052 54.840 -0.316 0.000 0.757 600 L CB -0.668 41.236 42.059 -0.260 0.000 0.896 600 L HN 0.179 nan 8.230 nan 0.000 0.434 601 R N 0.046 120.451 120.500 -0.157 0.000 2.107 601 R HA -0.103 4.238 4.340 0.001 0.000 0.223 601 R C 2.065 178.299 176.300 -0.110 0.000 1.138 601 R CA 1.995 58.030 56.100 -0.108 0.000 0.900 601 R CB -0.865 29.398 30.300 -0.062 0.000 0.814 601 R HN 0.255 nan 8.270 nan 0.000 0.437 602 T N 2.453 116.951 114.554 -0.093 0.000 3.139 602 T HA -0.040 4.310 4.350 0.001 0.000 0.267 602 T C 1.385 176.028 174.700 -0.094 0.000 1.164 602 T CA 0.377 62.429 62.100 -0.079 0.000 1.075 602 T CB -0.030 68.807 68.868 -0.052 0.000 0.904 602 T HN 0.082 nan 8.240 nan 0.000 0.540 603 L N 1.011 122.149 121.223 -0.142 0.000 2.307 603 L HA 0.192 4.532 4.340 0.001 0.000 0.211 603 L C 2.393 179.158 176.870 -0.175 0.000 1.099 603 L CA 1.275 56.013 54.840 -0.170 0.000 0.816 603 L CB -0.509 41.368 42.059 -0.302 0.000 0.952 603 L HN 0.241 nan 8.230 nan 0.000 0.455 604 R N 0.270 120.669 120.500 -0.168 0.000 2.075 604 R HA -0.039 4.301 4.340 0.001 0.000 0.220 604 R C 1.857 178.078 176.300 -0.131 0.000 1.118 604 R CA 0.264 56.272 56.100 -0.154 0.000 0.986 604 R CB -0.139 30.073 30.300 -0.147 0.000 0.884 604 R HN 0.211 nan 8.270 nan 0.000 0.439 605 R N 0.892 121.322 120.500 -0.118 0.000 2.397 605 R HA -0.117 4.223 4.340 0.001 0.000 0.213 605 R C 1.971 178.212 176.300 -0.099 0.000 1.102 605 R CA 1.099 57.130 56.100 -0.114 0.000 1.040 605 R CB -0.077 30.167 30.300 -0.093 0.000 0.844 605 R HN 0.316 nan 8.270 nan 0.000 0.478 606 K N -0.016 120.331 120.400 -0.089 0.000 2.102 606 K HA 0.008 4.328 4.320 0.001 0.000 0.206 606 K C 0.853 177.415 176.600 -0.063 0.000 1.031 606 K CA 1.311 57.561 56.287 -0.062 0.000 0.962 606 K CB 0.496 32.969 32.500 -0.046 0.000 0.811 606 K HN 0.175 nan 8.250 nan 0.000 0.453 607 G N 1.231 109.987 108.800 -0.072 0.000 2.223 607 G HA2 -0.125 3.836 3.960 0.001 0.000 0.200 607 G HA3 -0.125 3.836 3.960 0.001 0.000 0.200 607 G C -0.297 174.574 174.900 -0.048 0.000 1.061 607 G CA 0.192 45.255 45.100 -0.063 0.000 0.790 607 G HN 0.464 nan 8.290 nan 0.000 0.498 608 D N 0.019 120.376 120.400 -0.071 0.000 2.735 608 D HA 0.226 4.866 4.640 0.001 0.000 0.267 608 D C 1.455 177.683 176.300 -0.120 0.000 1.081 608 D CA 0.534 54.495 54.000 -0.065 0.000 0.980 608 D CB 0.164 40.932 40.800 -0.053 0.000 1.129 608 D HN 0.473 nan 8.370 nan 0.000 0.459 609 I N 1.130 121.578 120.570 -0.203 0.000 2.352 609 I HA 0.221 4.392 4.170 0.001 0.000 0.290 609 I C 0.241 176.274 176.117 -0.140 0.000 1.036 609 I CA -0.904 60.268 61.300 -0.213 0.000 1.336 609 I CB 0.558 38.373 38.000 -0.308 0.000 1.407 609 I HN -0.003 nan 8.210 nan 0.000 0.497 610 N N 7.918 126.562 118.700 -0.094 0.000 2.036 610 N HA -0.085 4.656 4.740 0.001 0.000 0.288 610 N C -1.698 173.761 175.510 -0.085 0.000 1.293 610 N CA -0.525 52.486 53.050 -0.064 0.000 0.808 610 N CB 0.814 39.282 38.487 -0.032 0.000 1.040 610 N HN 0.422 nan 8.380 nan 0.000 0.489 611 P HA -0.057 nan 4.420 nan 0.000 0.236 611 P C 0.652 177.883 177.300 -0.115 0.000 1.172 611 P CA 0.768 63.769 63.100 -0.164 0.000 0.759 611 P CB 0.263 31.802 31.700 -0.269 0.000 0.843 612 E N -0.510 119.653 120.200 -0.061 0.000 2.094 612 E HA 0.004 4.355 4.350 0.001 0.000 0.193 612 E C 0.203 176.733 176.600 -0.117 0.000 0.950 612 E CA 0.229 56.553 56.400 -0.126 0.000 0.842 612 E CB 0.051 29.744 29.700 -0.012 0.000 0.816 612 E HN -0.209 nan 8.360 nan 0.000 0.465 613 V N 3.044 122.932 119.914 -0.043 0.000 2.790 613 V HA -0.107 4.013 4.120 0.001 0.000 0.304 613 V C 0.518 176.601 176.094 -0.019 0.000 1.142 613 V CA 0.750 63.047 62.300 -0.005 0.000 1.282 613 V CB 0.605 32.420 31.823 -0.014 0.000 0.877 613 V HN 0.415 nan 8.190 nan 0.000 0.504 614 S N 5.307 121.024 115.700 0.028 0.000 2.718 614 S HA 0.973 5.443 4.470 0.001 0.000 0.300 614 S C -0.701 173.859 174.600 -0.068 0.000 1.117 614 S CA -1.018 57.180 58.200 -0.004 0.000 1.002 614 S CB 1.989 65.219 63.200 0.050 0.000 1.092 614 S HN 0.788 nan 8.310 nan 0.000 0.542 615 M N 0.168 119.710 119.600 -0.097 0.000 2.323 615 M HA 0.529 5.009 4.480 0.001 0.000 0.278 615 M C -2.241 173.998 176.300 -0.102 0.000 1.069 615 M CA -0.609 54.611 55.300 -0.134 0.000 0.950 615 M CB 0.967 33.504 32.600 -0.106 0.000 1.879 615 M HN 0.467 nan 8.290 nan 0.000 0.491 616 I N 1.304 121.802 120.570 -0.121 0.000 2.545 616 I HA 0.622 4.793 4.170 0.001 0.000 0.292 616 I C -0.454 175.636 176.117 -0.046 0.000 1.040 616 I CA -0.659 60.600 61.300 -0.068 0.000 1.068 616 I CB 2.103 40.063 38.000 -0.068 0.000 1.251 616 I HN 0.792 nan 8.210 nan 0.000 0.424 617 R N 3.803 124.293 120.500 -0.016 0.000 2.239 617 R HA 0.232 4.572 4.340 0.001 0.000 0.332 617 R C -0.890 175.415 176.300 0.009 0.000 0.988 617 R CA -0.360 55.739 56.100 -0.001 0.000 0.859 617 R CB 0.573 30.880 30.300 0.012 0.000 1.148 617 R HN 0.679 nan 8.270 nan 0.000 0.482 618 D N 6.687 127.093 120.400 0.010 0.000 2.522 618 D HA 0.060 4.700 4.640 0.001 0.000 0.218 618 D C 1.551 177.866 176.300 0.025 0.000 1.149 618 D CA -0.113 53.900 54.000 0.021 0.000 0.981 618 D CB 0.444 41.260 40.800 0.026 0.000 1.041 618 D HN 0.611 nan 8.370 nan 0.000 0.518 619 I N 2.214 122.799 120.570 0.025 0.000 2.087 619 I HA -0.389 3.781 4.170 0.001 0.000 0.240 619 I C 2.461 178.597 176.117 0.031 0.000 1.054 619 I CA 1.191 62.507 61.300 0.028 0.000 1.311 619 I CB -0.273 37.743 38.000 0.027 0.000 1.024 619 I HN 0.258 nan 8.210 nan 0.000 0.402 620 R N 0.499 121.017 120.500 0.029 0.000 2.117 620 R HA -0.245 4.095 4.340 0.001 0.000 0.243 620 R C 2.154 178.477 176.300 0.038 0.000 1.143 620 R CA 1.919 58.037 56.100 0.031 0.000 0.968 620 R CB -0.439 29.876 30.300 0.026 0.000 0.863 620 R HN 0.380 nan 8.270 nan 0.000 0.444 621 E N 1.034 121.258 120.200 0.040 0.000 2.400 621 E HA -0.019 4.332 4.350 0.001 0.000 0.195 621 E C -0.581 176.052 176.600 0.055 0.000 1.012 621 E CA 0.222 56.652 56.400 0.050 0.000 0.875 621 E CB 0.235 29.967 29.700 0.053 0.000 0.859 621 E HN 0.111 nan 8.360 nan 0.000 0.498 622 K N 0.952 121.377 120.400 0.042 0.000 3.898 622 K HA -0.185 4.135 4.320 0.001 0.000 0.282 622 K C -0.978 175.623 176.600 0.001 0.000 1.014 622 K CA 0.817 57.124 56.287 0.033 0.000 0.848 622 K CB -1.594 30.938 32.500 0.054 0.000 1.469 622 K HN 0.260 nan 8.250 nan 0.000 0.446 623 E N 0.366 120.560 120.200 -0.011 0.000 2.392 623 E HA 0.464 4.815 4.350 0.001 0.000 0.279 623 E C -1.547 175.031 176.600 -0.037 0.000 0.964 623 E CA -1.128 55.233 56.400 -0.065 0.000 0.777 623 E CB 1.932 31.631 29.700 -0.002 0.000 1.249 623 E HN 0.133 nan 8.360 nan 0.000 0.449 624 L N 2.756 123.938 121.223 -0.070 0.000 2.345 624 L HA 0.367 4.707 4.340 0.001 0.000 0.274 624 L C -1.183 175.687 176.870 -0.001 0.000 0.999 624 L CA -0.499 54.323 54.840 -0.030 0.000 0.849 624 L CB 0.683 42.732 42.059 -0.017 0.000 1.220 624 L HN 0.258 nan 8.230 nan 0.000 0.422 625 K N 5.889 126.257 120.400 -0.052 0.000 2.174 625 K HA 0.569 4.889 4.320 0.001 0.000 0.275 625 K C -0.893 175.536 176.600 -0.285 0.000 1.015 625 K CA -0.316 55.861 56.287 -0.182 0.000 0.933 625 K CB 1.930 34.201 32.500 -0.381 0.000 1.025 625 K HN 0.579 nan 8.250 nan 0.000 0.463 626 I N 3.405 123.789 120.570 -0.311 0.000 2.563 626 I HA 0.248 4.419 4.170 0.001 0.000 0.285 626 I C -1.039 175.064 176.117 -0.022 0.000 1.123 626 I CA -0.458 60.736 61.300 -0.176 0.000 1.059 626 I CB 1.222 39.209 38.000 -0.022 0.000 1.229 626 I HN 0.432 nan 8.210 nan 0.000 0.442 627 F N 4.700 124.662 119.950 0.020 0.000 2.325 627 F HA 0.216 4.743 4.527 0.001 0.000 0.369 627 F C 1.390 177.191 175.800 0.002 0.000 1.095 627 F CA -0.489 57.518 58.000 0.012 0.000 1.082 627 F CB 1.917 40.917 39.000 0.000 0.000 1.289 627 F HN 0.408 nan 8.300 nan 0.000 0.462 628 T N 1.052 115.725 114.554 0.197 0.000 3.081 628 T HA -0.083 4.267 4.350 0.001 0.000 0.255 628 T C 0.598 175.344 174.700 0.077 0.000 1.113 628 T CA 0.142 62.299 62.100 0.095 0.000 1.082 628 T CB -0.484 68.422 68.868 0.064 0.000 0.939 628 T HN 0.638 nan 8.240 nan 0.000 0.506 629 D N 1.170 121.620 120.400 0.083 0.000 2.535 629 D HA 0.068 4.708 4.640 0.001 0.000 0.223 629 D C -0.343 175.959 176.300 0.003 0.000 1.264 629 D CA 0.893 54.894 54.000 0.001 0.000 0.883 629 D CB 0.299 41.028 40.800 -0.118 0.000 1.245 629 D HN 0.345 nan 8.370 nan 0.000 0.539 630 A N 1.159 123.965 122.820 -0.024 0.000 2.311 630 A HA 0.666 4.986 4.320 0.001 0.000 0.306 630 A C 0.504 178.068 177.584 -0.033 0.000 1.189 630 A CA 0.096 52.127 52.037 -0.009 0.000 0.791 630 A CB 0.911 19.909 19.000 -0.003 0.000 1.172 630 A HN 1.227 nan 8.150 nan 0.000 0.481 631 G N 2.086 110.871 108.800 -0.025 0.000 2.245 631 G HA2 -0.074 3.886 3.960 0.001 0.000 0.116 631 G HA3 -0.074 3.886 3.960 0.001 0.000 0.116 631 G C -0.245 174.595 174.900 -0.099 0.000 1.054 631 G CA -0.610 44.452 45.100 -0.063 0.000 0.728 631 G HN 0.802 nan 8.290 nan 0.000 0.483 632 R N -0.391 120.083 120.500 -0.045 0.000 2.637 632 R HA 0.673 5.013 4.340 0.001 0.000 0.291 632 R C -0.095 176.176 176.300 -0.049 0.000 0.963 632 R CA -0.808 55.262 56.100 -0.050 0.000 0.901 632 R CB 2.547 32.886 30.300 0.065 0.000 1.160 632 R HN 0.066 nan 8.270 nan 0.000 0.457 633 V N 4.013 123.838 119.914 -0.148 0.000 2.509 633 V HA 0.419 4.540 4.120 0.001 0.000 0.284 633 V C -0.783 175.322 176.094 0.018 0.000 1.047 633 V CA -0.322 61.876 62.300 -0.169 0.000 0.952 633 V CB 0.714 32.476 31.823 -0.101 0.000 0.988 633 V HN 0.738 nan 8.190 nan 0.000 0.469 634 Y N 3.074 123.371 120.300 -0.004 0.000 2.638 634 Y HA 0.861 5.412 4.550 0.001 0.000 0.335 634 Y C -0.527 175.364 175.900 -0.016 0.000 1.155 634 Y CA -1.770 56.342 58.100 0.020 0.000 1.046 634 Y CB 1.308 39.786 38.460 0.030 0.000 1.303 634 Y HN 0.670 nan 8.280 nan 0.000 0.460 635 R N 0.455 121.139 120.500 0.308 0.000 3.076 635 R HA 0.816 5.156 4.340 0.001 0.000 0.239 635 R C -3.190 173.327 176.300 0.362 0.000 1.392 635 R CA -2.034 54.191 56.100 0.209 0.000 1.044 635 R CB 2.044 32.398 30.300 0.090 0.000 1.389 635 R HN 0.508 nan 8.270 nan 0.000 0.498 636 P HA 0.489 nan 4.420 nan 0.000 0.298 636 P C -1.202 176.286 177.300 0.313 0.000 1.334 636 P CA -0.726 62.691 63.100 0.527 0.000 0.942 636 P CB 2.047 34.239 31.700 0.820 0.000 1.162 637 L N 2.671 124.079 121.223 0.309 0.000 2.464 637 L HA 0.457 4.797 4.340 0.001 0.000 0.266 637 L C 0.157 177.247 176.870 0.367 0.000 0.965 637 L CA -0.883 54.087 54.840 0.217 0.000 0.833 637 L CB 2.147 44.317 42.059 0.185 0.000 1.296 637 L HN 0.327 nan 8.230 nan 0.000 0.405 638 F N 3.598 123.632 119.950 0.140 0.000 2.590 638 F HA 0.117 4.645 4.527 0.001 0.000 0.389 638 F C 0.849 176.666 175.800 0.029 0.000 1.049 638 F CA -0.475 57.558 58.000 0.056 0.000 1.199 638 F CB 0.414 39.429 39.000 0.026 0.000 1.058 638 F HN 0.261 nan 8.300 nan 0.000 0.556 639 I N 4.708 125.358 120.570 0.132 0.000 2.517 639 I HA -0.004 4.166 4.170 0.001 0.000 0.285 639 I C 0.143 176.211 176.117 -0.082 0.000 1.106 639 I CA -0.067 61.167 61.300 -0.109 0.000 1.402 639 I CB 0.881 38.803 38.000 -0.129 0.000 1.399 639 I HN 0.349 nan 8.210 nan 0.000 0.535 640 V N 6.086 125.924 119.914 -0.127 0.000 2.776 640 V HA 0.148 4.268 4.120 0.001 0.000 0.332 640 V C 0.233 176.295 176.094 -0.053 0.000 1.201 640 V CA -0.562 61.712 62.300 -0.044 0.000 1.401 640 V CB -0.577 31.261 31.823 0.025 0.000 1.552 640 V HN 0.601 nan 8.190 nan 0.000 0.605 641 E N 2.347 122.498 120.200 -0.082 0.000 2.384 641 E HA 0.031 4.382 4.350 0.001 0.000 0.266 641 E C 0.719 177.296 176.600 -0.039 0.000 1.012 641 E CA -0.119 56.248 56.400 -0.056 0.000 0.901 641 E CB 0.832 30.496 29.700 -0.060 0.000 0.967 641 E HN 0.600 nan 8.360 nan 0.000 0.435 642 D N 1.786 122.176 120.400 -0.015 0.000 2.488 642 D HA -0.111 4.529 4.640 0.001 0.000 0.260 642 D C -0.590 175.698 176.300 -0.021 0.000 1.273 642 D CA -0.044 53.945 54.000 -0.018 0.000 0.912 642 D CB -0.210 40.605 40.800 0.026 0.000 0.982 642 D HN 0.147 nan 8.370 nan 0.000 0.492 643 D N 1.248 121.631 120.400 -0.028 0.000 2.924 643 D HA -0.009 4.631 4.640 0.001 0.000 0.239 643 D C -0.103 176.185 176.300 -0.020 0.000 1.198 643 D CA 0.509 54.498 54.000 -0.018 0.000 0.958 643 D CB -0.198 40.590 40.800 -0.019 0.000 1.169 643 D HN 0.339 nan 8.370 nan 0.000 0.438 644 E N 0.017 120.204 120.200 -0.022 0.000 2.437 644 E HA 0.111 4.461 4.350 0.001 0.000 0.238 644 E C 0.950 177.557 176.600 0.011 0.000 0.969 644 E CA -0.477 55.912 56.400 -0.018 0.000 0.759 644 E CB 0.580 30.247 29.700 -0.056 0.000 1.283 644 E HN -0.051 nan 8.360 nan 0.000 0.416 645 S N 3.676 119.385 115.700 0.014 0.000 2.387 645 S HA -0.151 4.319 4.470 0.001 0.000 0.230 645 S C 1.162 175.782 174.600 0.032 0.000 1.035 645 S CA 0.649 58.863 58.200 0.023 0.000 1.014 645 S CB -0.218 62.992 63.200 0.018 0.000 0.836 645 S HN 0.530 nan 8.310 nan 0.000 0.466 646 L N 2.374 123.615 121.223 0.029 0.000 2.423 646 L HA 0.510 4.850 4.340 0.001 0.000 0.249 646 L C 1.130 178.038 176.870 0.064 0.000 1.276 646 L CA 0.045 54.908 54.840 0.039 0.000 1.199 646 L CB -0.380 41.695 42.059 0.028 0.000 1.407 646 L HN 0.666 nan 8.230 nan 0.000 0.410 647 G N -0.060 108.796 108.800 0.094 0.000 2.013 647 G HA2 -0.104 3.856 3.960 0.001 0.000 0.076 647 G HA3 -0.104 3.856 3.960 0.001 0.000 0.076 647 G C -0.301 174.753 174.900 0.256 0.000 1.053 647 G CA -0.003 45.212 45.100 0.192 0.000 1.230 647 G HN 0.417 nan 8.290 nan 0.000 0.431 648 H N 0.042 119.134 119.070 0.037 0.000 4.960 648 H HA 0.647 5.203 4.556 0.001 0.000 0.292 648 H C -0.115 175.242 175.328 0.048 0.000 1.262 648 H CA 0.181 56.256 56.048 0.045 0.000 0.299 648 H CB 0.009 29.806 29.762 0.059 0.000 1.459 648 H HN 0.579 nan 8.280 nan 0.000 0.506 649 K N 0.349 120.572 120.400 -0.295 0.000 2.095 649 K HA 0.423 4.744 4.320 0.001 0.000 0.252 649 K C -0.877 175.437 176.600 -0.476 0.000 0.977 649 K CA -0.179 55.980 56.287 -0.213 0.000 0.900 649 K CB 1.282 33.822 32.500 0.068 0.000 1.060 649 K HN 0.667 nan 8.250 nan 0.000 0.449 650 E N 1.762 121.834 120.200 -0.214 0.000 2.405 650 E HA 0.113 4.463 4.350 0.001 0.000 0.283 650 E C -1.723 174.833 176.600 -0.073 0.000 1.140 650 E CA -0.519 55.782 56.400 -0.166 0.000 0.904 650 E CB 0.280 29.854 29.700 -0.210 0.000 1.209 650 E HN 0.431 nan 8.360 nan 0.000 0.428 651 L N 3.548 124.752 121.223 -0.032 0.000 2.640 651 L HA 0.051 4.391 4.340 0.001 0.000 0.280 651 L C 1.071 177.909 176.870 -0.052 0.000 1.229 651 L CA 0.502 55.334 54.840 -0.013 0.000 0.919 651 L CB 0.235 42.293 42.059 -0.003 0.000 1.168 651 L HN 0.595 nan 8.230 nan 0.000 0.496 652 K N 2.951 123.312 120.400 -0.066 0.000 3.277 652 K HA 0.213 4.534 4.320 0.001 0.000 0.291 652 K C -0.981 175.546 176.600 -0.123 0.000 0.994 652 K CA -0.039 56.203 56.287 -0.075 0.000 1.147 652 K CB -0.138 32.312 32.500 -0.084 0.000 1.185 652 K HN 0.399 nan 8.250 nan 0.000 0.422 653 V N 0.657 120.510 119.914 -0.101 0.000 3.077 653 V HA 0.423 4.543 4.120 0.001 0.000 0.299 653 V C -0.829 175.329 176.094 0.107 0.000 1.276 653 V CA -1.185 61.060 62.300 -0.092 0.000 0.993 653 V CB 2.225 33.834 31.823 -0.356 0.000 1.076 653 V HN 0.190 nan 8.190 nan 0.000 0.434 654 R N 1.359 122.081 120.500 0.370 0.000 2.888 654 R HA 0.503 4.844 4.340 0.001 0.000 0.264 654 R C 0.558 176.916 176.300 0.097 0.000 1.045 654 R CA -1.147 55.033 56.100 0.133 0.000 0.962 654 R CB 1.010 31.344 30.300 0.057 0.000 1.210 654 R HN 0.650 nan 8.270 nan 0.000 0.479 655 K N 0.791 121.217 120.400 0.042 0.000 2.366 655 K HA -0.147 4.173 4.320 0.001 0.000 0.202 655 K C 1.563 178.181 176.600 0.031 0.000 1.045 655 K CA 2.037 58.346 56.287 0.038 0.000 0.934 655 K CB -0.548 31.966 32.500 0.023 0.000 0.746 655 K HN 0.756 nan 8.250 nan 0.000 0.470 656 G N -0.526 108.266 108.800 -0.014 0.000 2.454 656 G HA2 -0.226 3.734 3.960 0.001 0.000 0.214 656 G HA3 -0.226 3.734 3.960 0.001 0.000 0.214 656 G C 1.089 175.980 174.900 -0.015 0.000 1.217 656 G CA 0.720 45.776 45.100 -0.072 0.000 0.799 656 G HN 0.367 nan 8.290 nan 0.000 0.538 657 H N 0.725 119.845 119.070 0.084 0.000 2.325 657 H HA -0.131 4.426 4.556 0.001 0.000 0.293 657 H C 2.647 178.142 175.328 0.279 0.000 1.106 657 H CA 1.593 57.788 56.048 0.246 0.000 1.247 657 H CB -0.342 29.522 29.762 0.170 0.000 1.359 657 H HN 0.309 nan 8.280 nan 0.000 0.488 658 I N 0.602 121.324 120.570 0.253 0.000 2.039 658 I HA -0.298 3.872 4.170 0.001 0.000 0.233 658 I C 2.837 179.054 176.117 0.167 0.000 1.040 658 I CA 1.328 62.732 61.300 0.173 0.000 1.308 658 I CB -0.474 37.592 38.000 0.111 0.000 1.035 658 I HN 0.186 nan 8.210 nan 0.000 0.392 659 A N -0.034 122.854 122.820 0.114 0.000 2.139 659 A HA -0.280 4.040 4.320 0.001 0.000 0.221 659 A C 2.284 179.935 177.584 0.112 0.000 1.159 659 A CA 1.951 54.040 52.037 0.086 0.000 0.662 659 A CB -0.631 18.393 19.000 0.039 0.000 0.796 659 A HN 0.441 nan 8.150 nan 0.000 0.463 660 K N -0.882 119.618 120.400 0.166 0.000 2.243 660 K HA 0.160 4.480 4.320 0.001 0.000 0.201 660 K C 1.679 178.540 176.600 0.435 0.000 1.051 660 K CA 0.541 56.942 56.287 0.190 0.000 0.970 660 K CB -0.128 32.379 32.500 0.013 0.000 0.755 660 K HN 0.492 nan 8.250 nan 0.000 0.465 661 L N 0.165 121.666 121.223 0.463 0.000 2.130 661 L HA 0.011 4.351 4.340 0.001 0.000 0.200 661 L C 2.301 179.298 176.870 0.210 0.000 1.075 661 L CA 0.684 55.707 54.840 0.304 0.000 0.768 661 L CB -0.137 41.984 42.059 0.105 0.000 0.933 661 L HN 0.186 nan 8.230 nan 0.000 0.451 662 M N -0.515 119.193 119.600 0.179 0.000 2.337 662 M HA -0.218 4.262 4.480 0.001 0.000 0.261 662 M C 2.325 178.719 176.300 0.157 0.000 1.067 662 M CA 1.455 56.846 55.300 0.151 0.000 1.074 662 M CB -0.559 32.113 32.600 0.120 0.000 1.395 662 M HN 0.342 nan 8.290 nan 0.000 0.431 663 A N 0.119 123.034 122.820 0.158 0.000 1.908 663 A HA -0.149 4.171 4.320 0.001 0.000 0.218 663 A C 2.173 179.873 177.584 0.193 0.000 1.181 663 A CA 2.244 54.371 52.037 0.150 0.000 0.627 663 A CB -0.954 18.123 19.000 0.128 0.000 0.818 663 A HN 0.461 nan 8.150 nan 0.000 0.445 664 T N -0.620 114.045 114.554 0.185 0.000 3.043 664 T HA -0.008 4.343 4.350 0.001 0.000 0.263 664 T C 1.634 176.420 174.700 0.145 0.000 1.094 664 T CA 0.949 63.146 62.100 0.161 0.000 1.127 664 T CB -0.070 68.892 68.868 0.157 0.000 0.905 664 T HN 0.570 nan 8.240 nan 0.000 0.490 665 E N 0.008 120.304 120.200 0.159 0.000 2.204 665 E HA -0.121 4.230 4.350 0.001 0.000 0.195 665 E C 1.606 178.301 176.600 0.158 0.000 0.990 665 E CA 0.802 57.284 56.400 0.136 0.000 0.821 665 E CB -0.066 29.717 29.700 0.139 0.000 0.750 665 E HN 0.525 nan 8.360 nan 0.000 0.477 666 Y N 1.811 122.138 120.300 0.046 0.000 2.134 666 Y HA -0.167 4.384 4.550 0.001 0.000 0.283 666 Y C 2.114 178.031 175.900 0.027 0.000 1.108 666 Y CA 1.940 60.060 58.100 0.034 0.000 1.096 666 Y CB -0.207 38.275 38.460 0.036 0.000 1.005 666 Y HN -0.077 nan 8.280 nan 0.000 0.487 667 Q N 1.153 120.981 119.800 0.046 0.000 2.291 667 Q HA 0.159 4.499 4.340 0.001 0.000 0.211 667 Q C -0.758 175.230 176.000 -0.019 0.000 0.925 667 Q CA 0.283 56.050 55.803 -0.060 0.000 0.949 667 Q CB -0.648 28.113 28.738 0.038 0.000 1.015 667 Q HN 0.359 nan 8.270 nan 0.000 0.477 679 Y N 2.623 122.965 120.300 0.070 0.000 2.700 679 Y HA 0.434 4.984 4.550 0.001 0.000 0.333 679 Y C -0.022 175.936 175.900 0.098 0.000 1.036 679 Y CA -0.226 57.919 58.100 0.075 0.000 1.287 679 Y CB 0.385 38.892 38.460 0.079 0.000 1.132 679 Y HN -0.046 nan 8.280 nan 0.000 0.510 680 T N 4.655 119.288 114.554 0.132 0.000 2.726 680 T HA -0.045 4.305 4.350 0.001 0.000 0.294 680 T C 1.078 175.769 174.700 -0.015 0.000 1.013 680 T CA -0.258 61.881 62.100 0.065 0.000 0.996 680 T CB 0.330 69.260 68.868 0.102 0.000 1.016 680 T HN 0.848 nan 8.240 nan 0.000 0.529 681 W N 1.818 123.065 121.300 -0.088 0.000 2.453 681 W HA -0.049 4.611 4.660 0.001 0.000 0.289 681 W C 2.282 178.756 176.519 -0.076 0.000 1.215 681 W CA 1.145 58.440 57.345 -0.084 0.000 1.297 681 W CB -0.917 28.521 29.460 -0.037 0.000 1.113 681 W HN 0.733 nan 8.180 nan 0.000 0.551 682 S N 1.051 116.795 115.700 0.074 0.000 2.380 682 S HA -0.280 4.190 4.470 0.001 0.000 0.229 682 S C 2.184 176.701 174.600 -0.138 0.000 1.043 682 S CA 2.996 61.181 58.200 -0.025 0.000 1.038 682 S CB -0.654 62.581 63.200 0.058 0.000 0.872 682 S HN 0.481 nan 8.310 nan 0.000 0.456 683 S N 1.035 116.682 115.700 -0.090 0.000 2.406 683 S HA 0.111 4.581 4.470 0.001 0.000 0.228 683 S C 1.747 176.252 174.600 -0.158 0.000 1.020 683 S CA 0.754 58.926 58.200 -0.045 0.000 0.965 683 S CB -0.715 62.575 63.200 0.148 0.000 0.798 683 S HN 0.559 nan 8.310 nan 0.000 0.488 684 L N 0.582 121.601 121.223 -0.339 0.000 2.549 684 L HA 0.036 4.377 4.340 0.001 0.000 0.230 684 L C 2.200 178.755 176.870 -0.525 0.000 1.162 684 L CA 0.511 55.072 54.840 -0.465 0.000 0.834 684 L CB -0.526 41.166 42.059 -0.611 0.000 0.947 684 L HN 0.384 nan 8.230 nan 0.000 0.452 685 L N -1.325 119.601 121.223 -0.496 0.000 2.356 685 L HA 0.134 4.474 4.340 0.001 0.000 0.193 685 L C 2.087 178.794 176.870 -0.271 0.000 1.087 685 L CA 1.192 55.762 54.840 -0.449 0.000 0.817 685 L CB -0.683 41.078 42.059 -0.497 0.000 1.035 685 L HN 0.028 nan 8.230 nan 0.000 0.482 686 N N 0.722 119.300 118.700 -0.202 0.000 2.137 686 N HA -0.213 4.527 4.740 0.001 0.000 0.190 686 N C 0.990 176.442 175.510 -0.096 0.000 1.017 686 N CA 1.532 54.508 53.050 -0.122 0.000 0.859 686 N CB -0.361 38.082 38.487 -0.074 0.000 1.002 686 N HN 0.582 nan 8.380 nan 0.000 0.428 687 E N 0.742 120.885 120.200 -0.095 0.000 2.357 687 E HA 0.056 4.406 4.350 0.001 0.000 0.194 687 E C 0.429 176.966 176.600 -0.106 0.000 1.177 687 E CA -0.344 56.019 56.400 -0.061 0.000 0.998 687 E CB -0.647 29.047 29.700 -0.011 0.000 1.106 687 E HN 0.313 nan 8.360 nan 0.000 0.470 688 G N 1.308 110.035 108.800 -0.122 0.000 2.473 688 G HA2 -0.287 3.673 3.960 0.001 0.000 0.307 688 G HA3 -0.287 3.673 3.960 0.001 0.000 0.307 688 G C 0.755 175.571 174.900 -0.140 0.000 0.937 688 G CA 0.499 45.526 45.100 -0.122 0.000 0.947 688 G HN 0.379 nan 8.290 nan 0.000 0.513 689 L N -2.114 118.990 121.223 -0.198 0.000 2.249 689 L HA 0.266 4.606 4.340 0.001 0.000 0.207 689 L C 0.865 177.631 176.870 -0.174 0.000 1.090 689 L CA 0.565 55.261 54.840 -0.239 0.000 0.802 689 L CB 0.049 41.883 42.059 -0.374 0.000 0.947 689 L HN 0.191 nan 8.230 nan 0.000 0.453 690 V N -0.736 119.072 119.914 -0.176 0.000 3.048 690 V HA 0.276 4.397 4.120 0.001 0.000 0.303 690 V C -1.098 174.943 176.094 -0.089 0.000 1.214 690 V CA -0.925 61.347 62.300 -0.047 0.000 0.984 690 V CB 2.775 34.609 31.823 0.019 0.000 1.054 690 V HN 0.087 nan 8.190 nan 0.000 0.430 691 E N 1.520 121.759 120.200 0.065 0.000 2.281 691 E HA 0.519 4.869 4.350 0.001 0.000 0.262 691 E C -1.613 175.109 176.600 0.204 0.000 0.933 691 E CA -0.835 55.582 56.400 0.029 0.000 0.809 691 E CB 2.581 32.336 29.700 0.091 0.000 1.242 691 E HN 0.673 nan 8.360 nan 0.000 0.418 692 Y N 1.340 121.659 120.300 0.032 0.000 2.518 692 Y HA 0.299 4.849 4.550 0.001 0.000 0.344 692 Y C -0.007 175.865 175.900 -0.047 0.000 0.982 692 Y CA -0.698 57.403 58.100 0.002 0.000 1.234 692 Y CB 0.409 38.687 38.460 -0.304 0.000 1.114 692 Y HN 0.175 nan 8.280 nan 0.000 0.515 693 I N 4.993 125.685 120.570 0.203 0.000 2.297 693 I HA 0.037 4.207 4.170 0.001 0.000 0.291 693 I C 0.289 176.514 176.117 0.181 0.000 1.033 693 I CA -0.516 60.849 61.300 0.109 0.000 1.253 693 I CB 0.404 38.410 38.000 0.009 0.000 1.396 693 I HN 0.622 nan 8.210 nan 0.000 0.476 694 D N 6.112 126.612 120.400 0.167 0.000 2.371 694 D HA 0.120 4.760 4.640 0.001 0.000 0.242 694 D C 1.041 177.454 176.300 0.188 0.000 1.218 694 D CA -0.190 53.944 54.000 0.223 0.000 0.945 694 D CB 1.531 42.458 40.800 0.211 0.000 1.137 694 D HN 0.510 nan 8.370 nan 0.000 0.464 695 A N 1.476 124.418 122.820 0.204 0.000 1.859 695 A HA -0.278 4.043 4.320 0.001 0.000 0.217 695 A C 2.053 179.786 177.584 0.248 0.000 1.198 695 A CA 2.383 54.569 52.037 0.248 0.000 0.629 695 A CB -1.038 18.138 19.000 0.294 0.000 0.830 695 A HN 0.777 nan 8.150 nan 0.000 0.446 696 E N -0.342 119.970 120.200 0.186 0.000 2.026 696 E HA -0.270 4.080 4.350 0.001 0.000 0.206 696 E C 2.011 178.661 176.600 0.083 0.000 1.028 696 E CA 2.052 58.508 56.400 0.094 0.000 0.845 696 E CB -0.360 29.406 29.700 0.110 0.000 0.772 696 E HN 0.703 nan 8.360 nan 0.000 0.462 697 E N -0.007 120.230 120.200 0.061 0.000 2.130 697 E HA -0.304 4.046 4.350 0.001 0.000 0.196 697 E C 2.078 178.701 176.600 0.039 0.000 0.998 697 E CA 1.475 57.890 56.400 0.025 0.000 0.806 697 E CB -0.167 29.541 29.700 0.012 0.000 0.738 697 E HN 0.392 nan 8.360 nan 0.000 0.459 698 E N 0.297 120.540 120.200 0.071 0.000 2.097 698 E HA -0.268 4.082 4.350 0.001 0.000 0.196 698 E C 1.917 178.559 176.600 0.069 0.000 1.000 698 E CA 1.228 57.664 56.400 0.061 0.000 0.804 698 E CB -0.000 29.768 29.700 0.115 0.000 0.740 698 E HN 0.234 nan 8.360 nan 0.000 0.454 699 E N 0.223 120.492 120.200 0.115 0.000 2.279 699 E HA -0.191 4.159 4.350 0.001 0.000 0.205 699 E C 0.979 177.619 176.600 0.067 0.000 1.028 699 E CA 1.443 57.913 56.400 0.116 0.000 0.830 699 E CB -0.181 29.620 29.700 0.168 0.000 0.736 699 E HN 0.238 nan 8.360 nan 0.000 0.478 700 S N 0.042 115.772 115.700 0.050 0.000 2.497 700 S HA 0.512 4.982 4.470 0.001 0.000 0.193 700 S C 0.310 174.938 174.600 0.046 0.000 1.360 700 S CA -0.766 57.458 58.200 0.040 0.000 1.204 700 S CB -0.740 62.480 63.200 0.033 0.000 1.171 700 S HN 0.276 nan 8.310 nan 0.000 0.502 701 I N -2.116 118.482 120.570 0.047 0.000 3.099 701 I HA 0.750 4.920 4.170 0.001 0.000 0.308 701 I C -2.423 173.740 176.117 0.076 0.000 1.405 701 I CA -1.589 59.758 61.300 0.079 0.000 0.953 701 I CB 1.724 39.755 38.000 0.052 0.000 1.324 701 I HN 0.221 nan 8.210 nan 0.000 0.495 702 L N 3.612 124.914 121.223 0.132 0.000 2.406 702 L HA 0.705 5.045 4.340 0.001 0.000 0.272 702 L C -1.513 175.522 176.870 0.275 0.000 0.980 702 L CA -0.311 54.610 54.840 0.135 0.000 0.831 702 L CB 1.602 43.689 42.059 0.046 0.000 1.253 702 L HN 0.579 nan 8.230 nan 0.000 0.406 703 I N 4.379 125.083 120.570 0.223 0.000 2.441 703 I HA 0.717 4.888 4.170 0.001 0.000 0.295 703 I C 0.086 176.296 176.117 0.156 0.000 0.994 703 I CA -0.819 60.597 61.300 0.194 0.000 1.144 703 I CB 2.007 40.049 38.000 0.070 0.000 1.314 703 I HN 0.771 nan 8.210 nan 0.000 0.445 704 A N 5.440 128.224 122.820 -0.059 0.000 2.290 704 A HA 0.482 4.802 4.320 0.001 0.000 0.310 704 A C 0.556 178.023 177.584 -0.194 0.000 1.202 704 A CA -0.491 51.350 52.037 -0.326 0.000 0.837 704 A CB 1.024 19.455 19.000 -0.948 0.000 1.139 704 A HN 0.791 nan 8.150 nan 0.000 0.509 705 M N 1.535 121.043 119.600 -0.152 0.000 2.970 705 M HA -0.102 4.379 4.480 0.001 0.000 0.284 705 M C 0.864 177.077 176.300 -0.145 0.000 1.084 705 M CA 1.906 57.123 55.300 -0.140 0.000 1.072 705 M CB -0.896 31.616 32.600 -0.148 0.000 1.177 705 M HN 0.766 nan 8.290 nan 0.000 0.546 706 Q N 1.390 121.111 119.800 -0.133 0.000 2.313 706 Q HA 0.139 4.479 4.340 0.001 0.000 0.266 706 Q C -1.858 174.082 176.000 -0.099 0.000 0.989 706 Q CA -1.152 54.595 55.803 -0.093 0.000 0.890 706 Q CB -0.203 28.496 28.738 -0.066 0.000 1.200 706 Q HN 0.318 nan 8.270 nan 0.000 0.396 707 P HA -0.310 nan 4.420 nan 0.000 0.200 707 P C 0.424 177.691 177.300 -0.055 0.000 1.007 707 P CA 1.469 64.554 63.100 -0.025 0.000 0.916 707 P CB 0.065 31.828 31.700 0.105 0.000 0.696 708 E N 0.538 120.731 120.200 -0.013 0.000 2.194 708 E HA -0.340 4.010 4.350 0.001 0.000 0.246 708 E C 1.662 178.222 176.600 -0.067 0.000 0.974 708 E CA 1.846 58.233 56.400 -0.022 0.000 0.949 708 E CB -1.879 27.818 29.700 -0.006 0.000 0.896 708 E HN 0.216 nan 8.360 nan 0.000 0.550 709 D N 1.192 121.547 120.400 -0.075 0.000 3.523 709 D HA -0.247 4.394 4.640 0.001 0.000 0.258 709 D C 1.574 177.760 176.300 -0.190 0.000 1.189 709 D CA 2.113 56.042 54.000 -0.119 0.000 0.935 709 D CB -0.644 40.104 40.800 -0.088 0.000 1.003 709 D HN 0.322 nan 8.370 nan 0.000 0.545 710 L N 1.197 122.323 121.223 -0.162 0.000 2.697 710 L HA 0.033 4.373 4.340 0.001 0.000 0.239 710 L C 1.296 178.101 176.870 -0.109 0.000 1.430 710 L CA 0.240 55.000 54.840 -0.132 0.000 1.193 710 L CB -0.165 41.772 42.059 -0.203 0.000 1.516 710 L HN 0.058 nan 8.230 nan 0.000 0.439 711 E N -0.506 119.647 120.200 -0.078 0.000 3.769 711 E HA 0.176 4.526 4.350 0.001 0.000 0.265 711 E C -1.548 175.082 176.600 0.050 0.000 1.260 711 E CA -0.092 56.355 56.400 0.078 0.000 1.835 711 E CB -0.748 29.017 29.700 0.109 0.000 1.819 711 E HN 0.253 nan 8.360 nan 0.000 0.824 712 P HA 0.032 nan 4.420 nan 0.000 0.295 712 P C 0.188 177.454 177.300 -0.056 0.000 1.300 712 P CA 0.440 63.499 63.100 -0.069 0.000 0.801 712 P CB 0.423 32.092 31.700 -0.053 0.000 1.420 713 A N -0.791 122.009 122.820 -0.034 0.000 3.637 713 A HA 0.390 4.711 4.320 0.001 0.000 0.192 713 A C 0.737 178.342 177.584 0.036 0.000 1.783 713 A CA 0.213 52.267 52.037 0.030 0.000 1.891 713 A CB -0.261 18.745 19.000 0.009 0.000 1.430 713 A HN 0.747 nan 8.150 nan 0.000 0.460 714 E N -1.869 118.349 120.200 0.030 0.000 2.350 714 E HA 0.707 5.057 4.350 0.001 0.000 0.243 714 E C -0.698 175.912 176.600 0.017 0.000 0.959 714 E CA -0.296 56.121 56.400 0.028 0.000 0.883 714 E CB 1.052 30.785 29.700 0.055 0.000 1.820 714 E HN 1.457 nan 8.360 nan 0.000 0.441 723 V N 0.823 120.753 119.914 0.027 0.000 3.994 723 V HA 0.070 4.190 4.120 0.001 0.000 0.269 723 V C 0.916 177.029 176.094 0.031 0.000 0.932 723 V CA 0.210 62.527 62.300 0.029 0.000 0.938 723 V CB 0.401 32.243 31.823 0.031 0.000 1.214 723 V HN 0.699 nan 8.190 nan 0.000 0.423 724 D N 1.155 121.576 120.400 0.036 0.000 2.274 724 D HA 0.238 4.878 4.640 0.001 0.000 0.239 724 D C -1.493 174.833 176.300 0.042 0.000 1.104 724 D CA -1.694 52.331 54.000 0.040 0.000 0.840 724 D CB 1.810 42.638 40.800 0.047 0.000 1.100 724 D HN 0.304 nan 8.370 nan 0.000 0.477 725 P HA -0.031 nan 4.420 nan 0.000 0.226 725 P C 0.628 177.956 177.300 0.046 0.000 1.153 725 P CA 0.388 63.512 63.100 0.039 0.000 0.777 725 P CB 0.524 32.244 31.700 0.033 0.000 0.794 726 A N -0.424 122.428 122.820 0.053 0.000 2.035 726 A HA 0.093 4.414 4.320 0.001 0.000 0.208 726 A C 1.531 179.163 177.584 0.079 0.000 1.206 726 A CA 0.237 52.312 52.037 0.063 0.000 0.773 726 A CB -0.283 18.755 19.000 0.063 0.000 0.878 726 A HN 0.085 nan 8.150 nan 0.000 0.469 727 K N 0.373 120.820 120.400 0.079 0.000 2.476 727 K HA 0.131 4.451 4.320 0.001 0.000 0.263 727 K C 0.705 177.360 176.600 0.091 0.000 1.086 727 K CA 0.255 56.598 56.287 0.093 0.000 0.880 727 K CB 0.064 32.612 32.500 0.080 0.000 1.128 727 K HN 0.582 nan 8.250 nan 0.000 0.497 728 R N -0.212 120.342 120.500 0.089 0.000 2.893 728 R HA 0.499 4.839 4.340 0.001 0.000 0.223 728 R C -0.318 176.016 176.300 0.057 0.000 1.433 728 R CA -0.737 55.409 56.100 0.077 0.000 1.063 728 R CB 0.274 30.623 30.300 0.082 0.000 1.758 728 R HN 0.370 nan 8.270 nan 0.000 0.524 729 I N 1.262 121.860 120.570 0.047 0.000 2.390 729 I HA 0.401 4.571 4.170 0.001 0.000 0.283 729 I C -0.235 175.900 176.117 0.029 0.000 1.016 729 I CA -0.666 60.656 61.300 0.038 0.000 1.151 729 I CB 1.562 39.584 38.000 0.036 0.000 1.293 729 I HN 0.416 nan 8.210 nan 0.000 0.458 730 R N 4.358 124.873 120.500 0.024 0.000 2.532 730 R HA 0.586 4.926 4.340 0.001 0.000 0.295 730 R C -0.408 175.900 176.300 0.013 0.000 0.968 730 R CA -0.874 55.232 56.100 0.010 0.000 0.916 730 R CB 2.443 32.742 30.300 -0.002 0.000 1.124 730 R HN 0.301 nan 8.270 nan 0.000 0.463 731 V N 1.954 121.875 119.914 0.011 0.000 3.209 731 V HA -0.097 4.023 4.120 0.001 0.000 0.305 731 V C 0.900 176.990 176.094 -0.007 0.000 1.127 731 V CA 0.574 62.889 62.300 0.025 0.000 1.235 731 V CB 1.071 32.920 31.823 0.043 0.000 0.987 731 V HN 0.812 nan 8.190 nan 0.000 0.499 732 S N 0.966 116.611 115.700 -0.091 0.000 2.632 732 S HA 0.242 4.712 4.470 0.001 0.000 0.267 732 S C 0.295 174.794 174.600 -0.168 0.000 1.193 732 S CA -0.437 57.664 58.200 -0.165 0.000 1.003 732 S CB 0.176 63.139 63.200 -0.394 0.000 1.073 732 S HN 0.947 nan 8.310 nan 0.000 0.553 733 H N 0.864 119.772 119.070 -0.271 0.000 2.588 733 H HA 0.305 4.862 4.556 0.001 0.000 0.223 733 H C -0.715 174.626 175.328 0.022 0.000 1.804 733 H CA -0.478 55.559 56.048 -0.018 0.000 1.269 733 H CB -1.377 28.408 29.762 0.039 0.000 1.670 733 H HN 0.383 nan 8.280 nan 0.000 0.539 734 H N 2.302 121.452 119.070 0.134 0.000 2.878 734 H HA 0.424 4.980 4.556 0.001 0.000 0.290 734 H C 1.000 176.228 175.328 -0.167 0.000 1.065 734 H CA 0.711 56.740 56.048 -0.032 0.000 1.477 734 H CB 0.434 30.171 29.762 -0.043 0.000 1.484 734 H HN 0.925 nan 8.280 nan 0.000 0.504 735 A N 2.967 125.749 122.820 -0.063 0.000 2.974 735 A HA -0.159 4.161 4.320 0.001 0.000 0.664 735 A C 0.595 177.986 177.584 -0.320 0.000 0.453 735 A CA 0.319 52.226 52.037 -0.218 0.000 0.176 735 A CB -1.400 17.408 19.000 -0.320 0.000 3.841 735 A HN 0.672 nan 8.150 nan 0.000 0.538 736 T N 0.184 114.591 114.554 -0.244 0.000 3.209 736 T HA 0.244 4.594 4.350 0.001 0.000 0.295 736 T C 1.422 176.068 174.700 -0.090 0.000 0.977 736 T CA 0.889 62.958 62.100 -0.052 0.000 0.922 736 T CB -0.137 68.802 68.868 0.119 0.000 1.152 736 T HN 1.478 nan 8.240 nan 0.000 0.527 737 T N 0.543 114.939 114.554 -0.263 0.000 3.025 737 T HA 0.046 4.396 4.350 0.001 0.000 0.270 737 T C 0.806 175.474 174.700 -0.054 0.000 1.126 737 T CA 0.072 62.088 62.100 -0.141 0.000 1.105 737 T CB -1.018 67.755 68.868 -0.157 0.000 0.884 737 T HN 0.433 nan 8.240 nan 0.000 0.522 738 F N 3.668 123.653 119.950 0.059 0.000 2.306 738 F HA -0.096 4.432 4.527 0.001 0.000 0.412 738 F C 2.110 177.943 175.800 0.054 0.000 0.951 738 F CA 0.227 58.264 58.000 0.063 0.000 1.022 738 F CB -0.356 38.683 39.000 0.065 0.000 0.852 738 F HN 0.242 nan 8.300 nan 0.000 0.511 739 T N -0.260 114.460 114.554 0.277 0.000 2.901 739 T HA 0.044 4.394 4.350 0.001 0.000 0.252 739 T C 0.403 175.099 174.700 -0.008 0.000 1.035 739 T CA 0.794 62.996 62.100 0.170 0.000 1.142 739 T CB -0.049 69.028 68.868 0.349 0.000 0.869 739 T HN 0.518 nan 8.240 nan 0.000 0.442 740 H N -0.973 118.174 119.070 0.130 0.000 2.927 740 H HA 0.814 5.370 4.556 0.001 0.000 0.316 740 H C -0.874 174.490 175.328 0.061 0.000 1.403 740 H CA -1.348 54.761 56.048 0.101 0.000 1.288 740 H CB 1.227 31.043 29.762 0.090 0.000 1.944 740 H HN 0.444 nan 8.280 nan 0.000 0.629 741 C N 0.115 119.509 119.300 0.157 0.000 3.173 741 C HA 0.485 4.945 4.460 0.001 0.000 0.310 741 C C -0.791 174.048 174.990 -0.251 0.000 1.306 741 C CA -0.446 58.551 59.018 -0.035 0.000 1.426 741 C CB 1.306 29.034 27.740 -0.020 0.000 1.800 741 C HN 0.881 nan 8.230 nan 0.000 0.470 742 E N 1.873 121.907 120.200 -0.276 0.000 2.354 742 E HA 0.280 4.631 4.350 0.001 0.000 0.269 742 E C 1.163 177.374 176.600 -0.648 0.000 1.036 742 E CA -0.199 56.004 56.400 -0.329 0.000 0.876 742 E CB 0.544 30.165 29.700 -0.131 0.000 1.009 742 E HN 0.473 nan 8.360 nan 0.000 0.416 743 I N 1.958 122.177 120.570 -0.584 0.000 2.252 743 I HA -0.061 4.110 4.170 0.001 0.000 0.245 743 I C 0.550 176.553 176.117 -0.189 0.000 1.102 743 I CA 1.344 62.355 61.300 -0.480 0.000 1.385 743 I CB -1.200 36.733 38.000 -0.111 0.000 1.064 743 I HN 0.536 nan 8.210 nan 0.000 0.414 744 H N -0.144 118.752 119.070 -0.290 0.000 3.027 744 H HA 0.131 4.687 4.556 0.001 0.000 0.290 744 H C -2.207 173.045 175.328 -0.126 0.000 1.190 744 H CA -0.754 55.128 56.048 -0.276 0.000 1.637 744 H CB 1.114 30.550 29.762 -0.543 0.000 2.214 744 H HN -0.291 nan 8.280 nan 0.000 0.451 745 P HA -0.245 nan 4.420 nan 0.000 0.216 745 P C 1.314 178.615 177.300 0.003 0.000 1.154 745 P CA 2.313 65.299 63.100 -0.190 0.000 0.865 745 P CB 0.053 31.465 31.700 -0.480 0.000 0.789 746 S N -1.065 114.689 115.700 0.089 0.000 2.461 746 S HA -0.171 4.299 4.470 0.001 0.000 0.249 746 S C 1.757 176.397 174.600 0.068 0.000 1.012 746 S CA 1.249 59.566 58.200 0.194 0.000 0.982 746 S CB -1.175 62.241 63.200 0.360 0.000 0.764 746 S HN -0.001 nan 8.310 nan 0.000 0.506 747 M N 1.538 121.135 119.600 -0.006 0.000 2.659 747 M HA 0.264 4.744 4.480 0.001 0.000 0.243 747 M C 1.791 177.973 176.300 -0.197 0.000 1.111 747 M CA 0.189 55.441 55.300 -0.080 0.000 1.070 747 M CB -1.301 31.245 32.600 -0.090 0.000 1.525 747 M HN 0.589 nan 8.290 nan 0.000 0.517 748 I N -1.922 118.467 120.570 -0.302 0.000 2.676 748 I HA -0.070 4.100 4.170 0.001 0.000 0.259 748 I C 0.986 176.940 176.117 -0.272 0.000 1.194 748 I CA 0.220 61.239 61.300 -0.469 0.000 1.473 748 I CB -0.554 36.994 38.000 -0.754 0.000 1.096 748 I HN 0.008 nan 8.210 nan 0.000 0.443 749 L N 1.575 122.695 121.223 -0.171 0.000 2.476 749 L HA 0.444 4.784 4.340 0.001 0.000 0.255 749 L C 0.747 177.553 176.870 -0.107 0.000 1.218 749 L CA -0.075 54.690 54.840 -0.124 0.000 0.819 749 L CB 0.109 42.111 42.059 -0.096 0.000 1.119 749 L HN 0.189 nan 8.230 nan 0.000 0.485 750 G N -0.669 108.076 108.800 -0.092 0.000 2.685 750 G HA2 0.472 4.432 3.960 0.001 0.000 0.298 750 G HA3 0.472 4.432 3.960 0.001 0.000 0.298 750 G C 0.675 175.538 174.900 -0.062 0.000 1.277 750 G CA -0.585 44.473 45.100 -0.070 0.000 0.986 750 G HN 0.409 nan 8.290 nan 0.000 0.487 751 V N 1.377 121.267 119.914 -0.041 0.000 2.262 751 V HA -0.376 3.745 4.120 0.001 0.000 0.254 751 V C 3.340 179.395 176.094 -0.065 0.000 1.050 751 V CA 3.444 65.720 62.300 -0.040 0.000 1.080 751 V CB -1.678 30.135 31.823 -0.017 0.000 0.711 751 V HN 1.107 nan 8.190 nan 0.000 0.479 752 A N 0.318 123.106 122.820 -0.054 0.000 1.891 752 A HA -0.361 3.960 4.320 0.001 0.000 0.221 752 A C 2.470 180.000 177.584 -0.090 0.000 1.394 752 A CA 4.352 56.351 52.037 -0.063 0.000 0.730 752 A CB -1.635 17.334 19.000 -0.052 0.000 0.845 752 A HN 1.200 nan 8.150 nan 0.000 0.471 753 A N -1.276 121.493 122.820 -0.085 0.000 1.906 753 A HA -0.289 4.031 4.320 0.001 0.000 0.222 753 A C 2.356 179.870 177.584 -0.117 0.000 1.282 753 A CA 3.292 55.273 52.037 -0.093 0.000 0.675 753 A CB -1.541 17.404 19.000 -0.092 0.000 0.838 753 A HN 0.963 nan 8.150 nan 0.000 0.469 754 S N -0.404 115.224 115.700 -0.120 0.000 2.444 754 S HA -0.199 4.272 4.470 0.001 0.000 0.244 754 S C 1.405 175.890 174.600 -0.191 0.000 1.025 754 S CA 1.758 59.874 58.200 -0.139 0.000 0.995 754 S CB -0.614 62.510 63.200 -0.125 0.000 0.781 754 S HN 0.600 nan 8.310 nan 0.000 0.496 755 I N 0.298 120.733 120.570 -0.224 0.000 3.883 755 I HA 0.209 4.379 4.170 0.001 0.000 0.326 755 I C 0.018 175.998 176.117 -0.228 0.000 1.283 755 I CA 0.106 61.212 61.300 -0.324 0.000 1.161 755 I CB 0.014 37.730 38.000 -0.473 0.000 1.012 755 I HN 0.114 nan 8.210 nan 0.000 0.421 756 I N 5.191 125.662 120.570 -0.166 0.000 2.363 756 I HA 0.162 4.332 4.170 0.001 0.000 0.292 756 I C -1.977 174.097 176.117 -0.072 0.000 1.075 756 I CA -1.793 59.431 61.300 -0.127 0.000 1.333 756 I CB 0.316 38.266 38.000 -0.084 0.000 1.415 756 I HN -0.167 nan 8.210 nan 0.000 0.502 757 P HA 0.007 nan 4.420 nan 0.000 0.268 757 P C -0.271 177.236 177.300 0.346 0.000 1.204 757 P CA -0.014 63.161 63.100 0.126 0.000 0.768 757 P CB 0.307 32.186 31.700 0.298 0.000 0.842 758 F N 1.602 121.595 119.950 0.072 0.000 2.970 758 F HA -0.170 4.358 4.527 0.001 0.000 0.251 758 F C -0.718 175.151 175.800 0.115 0.000 0.993 758 F CA 0.390 58.472 58.000 0.137 0.000 0.869 758 F CB -2.293 36.819 39.000 0.187 0.000 0.762 758 F HN 0.387 nan 8.300 nan 0.000 0.817 759 P HA -0.190 nan 4.420 nan 0.000 0.222 759 P C 0.750 178.052 177.300 0.004 0.000 1.142 759 P CA 2.001 65.118 63.100 0.028 0.000 0.788 759 P CB 0.011 31.653 31.700 -0.096 0.000 0.767 760 D N -1.302 119.060 120.400 -0.063 0.000 2.881 760 D HA -0.033 4.607 4.640 0.001 0.000 0.240 760 D C 0.500 176.684 176.300 -0.193 0.000 1.249 760 D CA -0.354 53.573 54.000 -0.121 0.000 0.839 760 D CB -0.896 39.758 40.800 -0.244 0.000 1.042 760 D HN 0.305 nan 8.370 nan 0.000 0.475 761 H N -0.771 118.361 119.070 0.105 0.000 3.664 761 H HA 0.173 4.730 4.556 0.001 0.000 0.265 761 H C -0.295 175.069 175.328 0.059 0.000 1.147 761 H CA -0.398 55.706 56.048 0.095 0.000 1.142 761 H CB 0.613 30.445 29.762 0.117 0.000 1.870 761 H HN 0.113 nan 8.280 nan 0.000 0.820 762 N N 0.759 119.551 118.700 0.153 0.000 2.531 762 N HA 0.149 4.889 4.740 0.001 0.000 0.290 762 N C -0.007 175.554 175.510 0.086 0.000 1.257 762 N CA -0.561 52.559 53.050 0.116 0.000 0.863 762 N CB 1.937 40.515 38.487 0.152 0.000 1.320 762 N HN 0.146 nan 8.380 nan 0.000 0.538 763 Q N 0.045 119.894 119.800 0.082 0.000 2.373 763 Q HA 0.081 4.422 4.340 0.001 0.000 0.255 763 Q C 1.079 177.118 176.000 0.064 0.000 0.980 763 Q CA 0.098 55.942 55.803 0.068 0.000 0.882 763 Q CB 0.808 29.591 28.738 0.075 0.000 1.249 763 Q HN 0.644 nan 8.270 nan 0.000 0.438 764 S N 3.489 119.214 115.700 0.043 0.000 2.359 764 S HA -0.109 4.361 4.470 0.001 0.000 0.223 764 S C -0.895 173.705 174.600 -0.000 0.000 1.039 764 S CA 1.813 60.027 58.200 0.022 0.000 1.042 764 S CB -0.776 62.431 63.200 0.011 0.000 0.915 764 S HN 0.759 nan 8.310 nan 0.000 0.439 765 P HA -0.090 nan 4.420 nan 0.000 0.217 765 P C 1.271 178.532 177.300 -0.066 0.000 1.150 765 P CA 0.922 63.969 63.100 -0.088 0.000 0.832 765 P CB -0.214 31.455 31.700 -0.052 0.000 0.787 766 R N 0.209 120.799 120.500 0.149 0.000 2.133 766 R HA -0.097 4.244 4.340 0.001 0.000 0.247 766 R C 1.908 178.329 176.300 0.202 0.000 1.151 766 R CA 1.001 57.289 56.100 0.313 0.000 0.971 766 R CB -1.433 29.009 30.300 0.237 0.000 0.866 766 R HN 0.325 nan 8.270 nan 0.000 0.447 767 N N -0.207 118.548 118.700 0.091 0.000 2.512 767 N HA -0.062 4.679 4.740 0.001 0.000 0.183 767 N C 1.097 176.595 175.510 -0.020 0.000 1.073 767 N CA 0.992 54.070 53.050 0.046 0.000 0.911 767 N CB 0.106 38.609 38.487 0.026 0.000 0.964 767 N HN 0.237 nan 8.380 nan 0.000 0.447 768 T N -0.244 114.253 114.554 -0.096 0.000 3.009 768 T HA 0.025 4.375 4.350 0.001 0.000 0.258 768 T C 1.471 176.068 174.700 -0.171 0.000 1.063 768 T CA 0.379 62.373 62.100 -0.177 0.000 1.139 768 T CB -0.115 68.580 68.868 -0.288 0.000 0.890 768 T HN 0.164 nan 8.240 nan 0.000 0.471 769 Y N 1.844 122.140 120.300 -0.007 0.000 2.145 769 Y HA -0.097 4.453 4.550 0.001 0.000 0.286 769 Y C 2.758 178.646 175.900 -0.019 0.000 1.145 769 Y CA 0.938 59.033 58.100 -0.008 0.000 1.148 769 Y CB -0.643 37.823 38.460 0.009 0.000 0.981 769 Y HN 0.110 nan 8.280 nan 0.000 0.507 770 Q N 0.133 120.014 119.800 0.135 0.000 2.364 770 Q HA -0.101 4.240 4.340 0.001 0.000 0.209 770 Q C 1.744 177.745 176.000 0.002 0.000 0.977 770 Q CA 1.570 57.399 55.803 0.045 0.000 0.885 770 Q CB -0.388 28.350 28.738 0.001 0.000 0.941 770 Q HN 0.289 nan 8.270 nan 0.000 0.464 771 S N -0.974 114.720 115.700 -0.010 0.000 2.603 771 S HA 0.203 4.673 4.470 0.001 0.000 0.220 771 S C 1.229 175.813 174.600 -0.028 0.000 0.967 771 S CA 0.480 58.659 58.200 -0.035 0.000 0.920 771 S CB 0.240 63.405 63.200 -0.059 0.000 0.773 771 S HN 0.526 nan 8.310 nan 0.000 0.529 772 A N 0.638 123.453 122.820 -0.010 0.000 2.026 772 A HA 0.394 4.715 4.320 0.001 0.000 0.198 772 A C 1.767 179.334 177.584 -0.028 0.000 1.390 772 A CA -0.040 51.988 52.037 -0.015 0.000 0.915 772 A CB -0.157 18.844 19.000 0.002 0.000 0.974 772 A HN 0.391 nan 8.150 nan 0.000 0.477 773 M N -0.074 119.517 119.600 -0.014 0.000 2.349 773 M HA 0.040 4.520 4.480 0.001 0.000 0.266 773 M C 2.112 178.387 176.300 -0.041 0.000 1.076 773 M CA 1.095 56.366 55.300 -0.048 0.000 1.126 773 M CB -0.266 32.318 32.600 -0.028 0.000 1.392 773 M HN 0.469 nan 8.290 nan 0.000 0.440 774 G N 1.245 110.039 108.800 -0.010 0.000 2.479 774 G HA2 -0.188 3.773 3.960 0.001 0.000 0.220 774 G HA3 -0.188 3.773 3.960 0.001 0.000 0.220 774 G C 1.483 176.406 174.900 0.038 0.000 1.115 774 G CA 0.679 45.792 45.100 0.023 0.000 0.757 774 G HN 0.442 nan 8.290 nan 0.000 0.560 775 K N -0.456 119.943 120.400 -0.001 0.000 2.387 775 K HA 0.186 4.506 4.320 0.001 0.000 0.198 775 K C 1.383 177.889 176.600 -0.156 0.000 1.022 775 K CA 0.033 56.322 56.287 0.003 0.000 1.128 775 K CB 0.519 33.018 32.500 -0.000 0.000 0.853 775 K HN 0.259 nan 8.250 nan 0.000 0.523 776 Q N -0.138 119.555 119.800 -0.178 0.000 2.118 776 Q HA 0.234 4.574 4.340 0.001 0.000 0.219 776 Q C -0.393 175.467 176.000 -0.234 0.000 0.794 776 Q CA -0.244 55.368 55.803 -0.317 0.000 1.035 776 Q CB 1.327 29.871 28.738 -0.325 0.000 1.177 776 Q HN 0.217 nan 8.270 nan 0.000 0.478 777 A N 0.319 123.086 122.820 -0.089 0.000 2.298 777 A HA 0.706 5.027 4.320 0.001 0.000 0.302 777 A C -0.074 177.555 177.584 0.074 0.000 1.177 777 A CA -0.438 51.597 52.037 -0.003 0.000 0.912 777 A CB 0.734 19.765 19.000 0.052 0.000 1.331 777 A HN 0.226 nan 8.150 nan 0.000 0.504 778 M N -1.376 118.294 119.600 0.116 0.000 2.753 778 M HA 0.612 5.092 4.480 0.001 0.000 0.299 778 M C 0.673 177.067 176.300 0.157 0.000 1.219 778 M CA 0.317 55.713 55.300 0.160 0.000 0.900 778 M CB 1.928 34.626 32.600 0.164 0.000 1.628 778 M HN 1.038 nan 8.290 nan 0.000 0.502 779 G N -0.318 108.564 108.800 0.136 0.000 2.593 779 G HA2 0.332 4.293 3.960 0.001 0.000 0.103 779 G HA3 0.332 4.293 3.960 0.001 0.000 0.103 779 G C -1.773 173.087 174.900 -0.066 0.000 1.103 779 G CA -0.490 44.644 45.100 0.056 0.000 1.109 779 G HN 0.507 nan 8.290 nan 0.000 0.516 780 V N 2.214 122.042 119.914 -0.143 0.000 2.666 780 V HA 0.234 4.355 4.120 0.001 0.000 0.261 780 V C 0.923 176.825 176.094 -0.319 0.000 0.892 780 V CA 0.043 62.100 62.300 -0.405 0.000 0.937 780 V CB 0.070 31.637 31.823 -0.427 0.000 1.063 780 V HN 0.937 nan 8.190 nan 0.000 0.494 781 F N 1.199 121.109 119.950 -0.068 0.000 2.184 781 F HA 0.085 4.613 4.527 0.001 0.000 0.301 781 F C 0.368 176.210 175.800 0.070 0.000 1.076 781 F CA 1.201 59.228 58.000 0.045 0.000 1.295 781 F CB -0.368 38.640 39.000 0.014 0.000 1.026 781 F HN 0.233 nan 8.300 nan 0.000 0.494 782 L N -0.067 121.024 121.223 -0.220 0.000 2.666 782 L HA 0.182 4.522 4.340 0.001 0.000 0.259 782 L C 0.615 177.229 176.870 -0.426 0.000 0.919 782 L CA -0.162 54.614 54.840 -0.107 0.000 0.927 782 L CB 2.007 44.197 42.059 0.217 0.000 1.423 782 L HN 0.017 nan 8.230 nan 0.000 0.426 783 T N -3.004 111.324 114.554 -0.377 0.000 3.400 783 T HA -0.038 4.312 4.350 0.001 0.000 0.254 783 T C 0.823 175.389 174.700 -0.223 0.000 1.153 783 T CA 0.639 62.497 62.100 -0.402 0.000 1.012 783 T CB -0.658 67.987 68.868 -0.373 0.000 0.994 783 T HN 0.698 nan 8.240 nan 0.000 0.555 784 N N 0.742 119.359 118.700 -0.138 0.000 2.187 784 N HA -0.029 4.712 4.740 0.001 0.000 0.212 784 N C 1.389 176.956 175.510 0.095 0.000 1.152 784 N CA -0.565 52.469 53.050 -0.028 0.000 0.872 784 N CB -0.617 37.841 38.487 -0.048 0.000 1.025 784 N HN 0.792 nan 8.380 nan 0.000 0.514 785 Y N -0.305 119.842 120.300 -0.254 0.000 2.446 785 Y HA 0.011 4.562 4.550 0.001 0.000 0.287 785 Y C 1.431 177.161 175.900 -0.284 0.000 1.159 785 Y CA 0.162 58.096 58.100 -0.277 0.000 1.297 785 Y CB -0.597 37.544 38.460 -0.533 0.000 0.974 785 Y HN -0.086 nan 8.280 nan 0.000 0.557 786 N N 1.209 119.778 118.700 -0.219 0.000 2.289 786 N HA -0.090 4.650 4.740 0.001 0.000 0.184 786 N C 0.781 176.173 175.510 -0.197 0.000 1.016 786 N CA 1.454 54.276 53.050 -0.379 0.000 0.872 786 N CB 0.101 38.450 38.487 -0.231 0.000 0.973 786 N HN 0.341 nan 8.380 nan 0.000 0.433 787 V N 1.114 120.967 119.914 -0.102 0.000 2.982 787 V HA 0.278 4.398 4.120 0.001 0.000 0.368 787 V C 0.185 176.258 176.094 -0.035 0.000 1.350 787 V CA -0.137 62.125 62.300 -0.064 0.000 1.251 787 V CB -0.030 31.767 31.823 -0.043 0.000 1.284 787 V HN 0.037 nan 8.190 nan 0.000 0.533 788 R N 1.254 121.730 120.500 -0.041 0.000 2.337 788 R HA 0.514 4.854 4.340 0.001 0.000 0.319 788 R C -0.329 175.963 176.300 -0.013 0.000 0.954 788 R CA -0.535 55.570 56.100 0.008 0.000 0.840 788 R CB 1.626 31.992 30.300 0.109 0.000 1.164 788 R HN 0.158 nan 8.270 nan 0.000 0.472 789 M N 3.130 122.724 119.600 -0.010 0.000 3.242 789 M HA 0.091 4.571 4.480 0.001 0.000 0.250 789 M C -0.699 175.600 176.300 -0.001 0.000 1.239 789 M CA -0.592 54.701 55.300 -0.012 0.000 1.205 789 M CB -0.704 31.872 32.600 -0.040 0.000 1.189 789 M HN 0.389 nan 8.290 nan 0.000 0.531 790 D N 0.320 120.725 120.400 0.008 0.000 2.277 790 D HA 0.171 4.812 4.640 0.001 0.000 0.249 790 D C 0.419 176.729 176.300 0.017 0.000 1.134 790 D CA -0.365 53.629 54.000 -0.011 0.000 0.863 790 D CB 0.437 41.196 40.800 -0.069 0.000 1.143 790 D HN 0.225 nan 8.370 nan 0.000 0.458 791 T N 0.870 115.425 114.554 0.002 0.000 2.751 791 T HA 0.263 4.613 4.350 0.001 0.000 0.279 791 T C 0.746 175.474 174.700 0.047 0.000 0.941 791 T CA -0.741 61.360 62.100 0.003 0.000 1.192 791 T CB -0.454 68.397 68.868 -0.028 0.000 0.883 791 T HN 0.594 nan 8.240 nan 0.000 0.534 792 M N 1.407 121.078 119.600 0.118 0.000 4.047 792 M HA 0.034 4.514 4.480 0.001 0.000 0.157 792 M C -0.638 175.834 176.300 0.286 0.000 1.532 792 M CA 0.789 56.256 55.300 0.278 0.000 1.097 792 M CB -1.111 31.648 32.600 0.266 0.000 1.346 792 M HN 1.669 nan 8.290 nan 0.000 0.190 793 A N 4.166 127.263 122.820 0.462 0.000 2.601 793 A HA 0.658 4.978 4.320 0.001 0.000 0.303 793 A C -1.648 176.285 177.584 0.583 0.000 1.004 793 A CA -0.894 51.423 52.037 0.466 0.000 0.742 793 A CB 1.140 20.432 19.000 0.487 0.000 1.250 793 A HN 0.757 nan 8.150 nan 0.000 0.406 794 N N 0.145 119.136 118.700 0.486 0.000 2.272 794 N HA 0.809 5.549 4.740 0.001 0.000 0.305 794 N C -1.472 174.223 175.510 0.309 0.000 1.103 794 N CA -0.289 53.008 53.050 0.411 0.000 0.791 794 N CB 1.988 40.637 38.487 0.270 0.000 1.356 794 N HN 0.497 nan 8.380 nan 0.000 0.486 795 I N 1.226 121.965 120.570 0.282 0.000 2.656 795 I HA 0.257 4.427 4.170 0.001 0.000 0.292 795 I C -0.705 175.516 176.117 0.174 0.000 1.144 795 I CA -0.551 60.834 61.300 0.141 0.000 1.038 795 I CB 2.074 40.139 38.000 0.109 0.000 1.244 795 I HN 0.331 nan 8.210 nan 0.000 0.420 796 L N 5.639 126.932 121.223 0.116 0.000 2.349 796 L HA 0.291 4.631 4.340 0.001 0.000 0.275 796 L C 0.567 177.512 176.870 0.125 0.000 1.115 796 L CA 0.469 55.407 54.840 0.164 0.000 0.820 796 L CB 0.340 42.484 42.059 0.142 0.000 1.135 796 L HN 0.527 nan 8.230 nan 0.000 0.445 797 Y N 3.980 124.239 120.300 -0.068 0.000 2.081 797 Y HA -0.216 4.335 4.550 0.001 0.000 0.280 797 Y C 0.179 175.764 175.900 -0.525 0.000 1.163 797 Y CA 1.991 59.896 58.100 -0.326 0.000 1.135 797 Y CB -0.238 37.981 38.460 -0.401 0.000 0.970 797 Y HN 0.501 nan 8.280 nan 0.000 0.498 798 Y N -0.242 120.159 120.300 0.168 0.000 2.749 798 Y HA 0.370 4.921 4.550 0.001 0.000 0.343 798 Y C -2.513 173.386 175.900 -0.001 0.000 1.015 798 Y CA -3.739 54.394 58.100 0.054 0.000 1.270 798 Y CB 0.397 38.879 38.460 0.036 0.000 1.097 798 Y HN -0.105 nan 8.280 nan 0.000 0.571 799 P HA 0.100 nan 4.420 nan 0.000 0.270 799 P C -0.478 176.835 177.300 0.022 0.000 1.242 799 P CA -0.012 63.102 63.100 0.023 0.000 0.768 799 P CB 0.674 32.339 31.700 -0.057 0.000 0.820 800 Q N 2.695 122.526 119.800 0.052 0.000 2.241 800 Q HA 0.226 4.566 4.340 0.001 0.000 0.254 800 Q C 0.386 176.380 176.000 -0.009 0.000 0.917 800 Q CA -0.886 54.934 55.803 0.030 0.000 0.919 800 Q CB 1.793 30.564 28.738 0.055 0.000 1.237 800 Q HN 0.431 nan 8.270 nan 0.000 0.434 801 K N 2.395 122.727 120.400 -0.114 0.000 2.154 801 K HA 0.417 4.737 4.320 0.001 0.000 0.264 801 K C -2.414 173.966 176.600 -0.366 0.000 1.008 801 K CA -1.572 54.583 56.287 -0.220 0.000 0.937 801 K CB 0.452 32.853 32.500 -0.166 0.000 1.002 801 K HN 0.202 nan 8.250 nan 0.000 0.469 802 P HA -0.032 nan 4.420 nan 0.000 0.269 802 P C 0.259 177.370 177.300 -0.315 0.000 1.215 802 P CA -0.157 62.476 63.100 -0.780 0.000 0.780 802 P CB 0.820 32.101 31.700 -0.699 0.000 0.898 803 L N 1.356 122.449 121.223 -0.217 0.000 2.084 803 L HA 0.114 4.455 4.340 0.001 0.000 0.202 803 L C 1.694 178.528 176.870 -0.060 0.000 1.074 803 L CA 1.227 56.007 54.840 -0.099 0.000 0.757 803 L CB -0.969 41.057 42.059 -0.056 0.000 0.918 803 L HN 0.481 nan 8.230 nan 0.000 0.444 804 G N 0.245 109.025 108.800 -0.034 0.000 2.333 804 G HA2 0.437 4.398 3.960 0.001 0.000 0.290 804 G HA3 0.437 4.398 3.960 0.001 0.000 0.290 804 G C -0.251 174.633 174.900 -0.027 0.000 1.150 804 G CA -0.012 45.104 45.100 0.027 0.000 0.895 804 G HN 0.198 nan 8.290 nan 0.000 0.444 805 T N -0.910 113.616 114.554 -0.046 0.000 2.858 805 T HA 0.809 5.159 4.350 0.001 0.000 0.285 805 T C -0.183 174.441 174.700 -0.127 0.000 1.052 805 T CA -0.747 61.302 62.100 -0.084 0.000 1.009 805 T CB 2.221 71.047 68.868 -0.070 0.000 1.241 805 T HN 0.352 nan 8.240 nan 0.000 0.542 806 T N 0.573 115.038 114.554 -0.148 0.000 2.907 806 T HA 0.455 4.805 4.350 0.001 0.000 0.292 806 T C 1.043 175.616 174.700 -0.213 0.000 1.043 806 T CA -1.037 60.957 62.100 -0.177 0.000 1.003 806 T CB 1.921 70.681 68.868 -0.179 0.000 1.084 806 T HN 0.525 nan 8.240 nan 0.000 0.483 807 R N 1.121 121.425 120.500 -0.328 0.000 2.148 807 R HA 0.064 4.405 4.340 0.001 0.000 0.223 807 R C 2.261 178.292 176.300 -0.448 0.000 1.088 807 R CA 0.922 56.672 56.100 -0.584 0.000 0.985 807 R CB -1.072 28.370 30.300 -1.429 0.000 0.880 807 R HN 0.698 nan 8.270 nan 0.000 0.451 808 A N 1.630 124.244 122.820 -0.344 0.000 1.972 808 A HA -0.136 4.185 4.320 0.001 0.000 0.219 808 A C 2.252 179.748 177.584 -0.146 0.000 1.169 808 A CA 1.319 53.195 52.037 -0.268 0.000 0.635 808 A CB -0.400 18.503 19.000 -0.163 0.000 0.810 808 A HN 0.206 nan 8.150 nan 0.000 0.446 809 M N -1.077 118.455 119.600 -0.113 0.000 2.099 809 M HA -0.146 4.334 4.480 0.001 0.000 0.262 809 M C 2.083 178.420 176.300 0.062 0.000 1.067 809 M CA 1.802 57.080 55.300 -0.035 0.000 1.124 809 M CB -0.684 31.893 32.600 -0.039 0.000 1.353 809 M HN 0.571 nan 8.290 nan 0.000 0.410 810 E N 0.547 120.771 120.200 0.040 0.000 2.253 810 E HA -0.245 4.105 4.350 0.001 0.000 0.202 810 E C 1.359 177.886 176.600 -0.121 0.000 1.014 810 E CA 1.773 58.150 56.400 -0.039 0.000 0.823 810 E CB 0.031 29.656 29.700 -0.126 0.000 0.736 810 E HN 0.626 nan 8.360 nan 0.000 0.478 811 Y N -0.807 119.348 120.300 -0.243 0.000 2.524 811 Y HA 0.178 4.728 4.550 0.001 0.000 0.270 811 Y C 1.808 177.595 175.900 -0.189 0.000 1.094 811 Y CA 0.078 57.971 58.100 -0.346 0.000 1.276 811 Y CB 0.076 38.030 38.460 -0.843 0.000 1.130 811 Y HN -0.040 nan 8.280 nan 0.000 0.536 812 L N 0.601 121.872 121.223 0.080 0.000 2.675 812 L HA -0.005 4.335 4.340 0.001 0.000 0.239 812 L C 0.076 177.157 176.870 0.351 0.000 1.151 812 L CA 0.301 55.240 54.840 0.164 0.000 0.905 812 L CB -0.331 41.784 42.059 0.094 0.000 1.057 812 L HN 0.026 nan 8.230 nan 0.000 0.435 813 K N -0.266 120.288 120.400 0.256 0.000 4.405 813 K HA -0.260 4.060 4.320 0.001 0.000 0.287 813 K C 0.213 176.982 176.600 0.282 0.000 0.905 813 K CA 0.588 57.018 56.287 0.238 0.000 0.867 813 K CB -1.498 31.141 32.500 0.232 0.000 1.652 813 K HN 0.178 nan 8.250 nan 0.000 0.435 814 F N 0.832 120.818 119.950 0.059 0.000 2.485 814 F HA 0.114 4.641 4.527 0.001 0.000 0.274 814 F C 2.065 177.855 175.800 -0.017 0.000 0.963 814 F CA 0.538 58.564 58.000 0.043 0.000 1.169 814 F CB -0.055 38.967 39.000 0.036 0.000 1.145 814 F HN 0.209 nan 8.300 nan 0.000 0.682 815 R N 0.469 121.003 120.500 0.057 0.000 2.294 815 R HA -0.218 4.122 4.340 0.001 0.000 0.250 815 R C 1.250 177.455 176.300 -0.159 0.000 1.181 815 R CA 1.831 57.881 56.100 -0.083 0.000 1.016 815 R CB -0.619 29.665 30.300 -0.026 0.000 0.869 815 R HN 0.409 nan 8.270 nan 0.000 0.476 816 E N 0.002 120.109 120.200 -0.155 0.000 2.276 816 E HA 0.103 4.454 4.350 0.001 0.000 0.193 816 E C 0.388 176.761 176.600 -0.379 0.000 0.983 816 E CA 0.555 56.818 56.400 -0.229 0.000 0.861 816 E CB 0.514 30.121 29.700 -0.155 0.000 0.817 816 E HN 0.192 nan 8.360 nan 0.000 0.485 817 L N 1.909 122.898 121.223 -0.390 0.000 2.625 817 L HA 0.362 4.702 4.340 0.001 0.000 0.255 817 L C -2.377 174.209 176.870 -0.473 0.000 1.493 817 L CA -1.645 52.949 54.840 -0.410 0.000 0.796 817 L CB 0.742 42.545 42.059 -0.427 0.000 1.064 817 L HN -0.056 nan 8.230 nan 0.000 0.516 818 P HA 0.012 nan 4.420 nan 0.000 0.273 818 P C 0.132 177.222 177.300 -0.351 0.000 1.258 818 P CA -0.075 62.526 63.100 -0.832 0.000 0.802 818 P CB 1.338 32.792 31.700 -0.410 0.000 1.040 819 A N -1.059 121.728 122.820 -0.055 0.000 2.585 819 A HA 0.624 4.944 4.320 0.001 0.000 0.281 819 A C 0.391 178.024 177.584 0.081 0.000 0.945 819 A CA 0.396 52.505 52.037 0.120 0.000 1.031 819 A CB -0.207 18.955 19.000 0.269 0.000 1.221 819 A HN 0.780 nan 8.150 nan 0.000 0.496 820 G N -0.667 108.180 108.800 0.079 0.000 2.393 820 G HA2 0.506 4.467 3.960 0.001 0.000 0.264 820 G HA3 0.506 4.467 3.960 0.001 0.000 0.264 820 G C -1.739 173.204 174.900 0.072 0.000 1.221 820 G CA -0.433 44.593 45.100 -0.124 0.000 0.912 820 G HN 0.328 nan 8.290 nan 0.000 0.483 821 Q N -0.586 119.186 119.800 -0.047 0.000 2.511 821 Q HA 0.400 4.741 4.340 0.001 0.000 0.289 821 Q C -1.497 174.682 176.000 0.298 0.000 1.021 821 Q CA -1.062 54.809 55.803 0.113 0.000 0.785 821 Q CB 2.223 30.744 28.738 -0.363 0.000 1.472 821 Q HN 0.398 nan 8.270 nan 0.000 0.411 822 N N 0.933 119.769 118.700 0.227 0.000 2.645 822 N HA 0.384 5.125 4.740 0.001 0.000 0.233 822 N C -1.215 174.348 175.510 0.088 0.000 1.058 822 N CA 0.052 53.221 53.050 0.200 0.000 0.942 822 N CB 1.315 39.858 38.487 0.095 0.000 1.210 822 N HN 0.548 nan 8.380 nan 0.000 0.512 823 A N 2.461 125.356 122.820 0.126 0.000 2.304 823 A HA 0.482 4.802 4.320 0.001 0.000 0.301 823 A C 0.414 178.071 177.584 0.120 0.000 1.132 823 A CA -0.620 51.468 52.037 0.084 0.000 0.819 823 A CB 0.654 19.716 19.000 0.103 0.000 1.094 823 A HN 0.471 nan 8.150 nan 0.000 0.492 824 I N 3.231 123.863 120.570 0.103 0.000 2.311 824 I HA 0.092 4.262 4.170 0.001 0.000 0.297 824 I C 0.245 176.443 176.117 0.135 0.000 1.131 824 I CA 0.062 61.462 61.300 0.166 0.000 1.289 824 I CB -0.479 37.673 38.000 0.254 0.000 1.446 824 I HN 0.206 nan 8.210 nan 0.000 0.524 825 V N 5.804 125.802 119.914 0.139 0.000 2.715 825 V HA 0.382 4.502 4.120 0.001 0.000 0.299 825 V C 0.767 176.842 176.094 -0.031 0.000 1.054 825 V CA -0.269 62.087 62.300 0.093 0.000 1.077 825 V CB 1.351 33.314 31.823 0.234 0.000 0.972 825 V HN 0.870 nan 8.190 nan 0.000 0.484 826 A N 6.426 129.146 122.820 -0.167 0.000 2.410 826 A HA 0.656 4.976 4.320 0.001 0.000 0.289 826 A C -0.593 176.895 177.584 -0.161 0.000 1.200 826 A CA -0.503 51.335 52.037 -0.332 0.000 0.751 826 A CB 0.455 19.041 19.000 -0.689 0.000 1.161 826 A HN 0.745 nan 8.150 nan 0.000 0.459 827 I N 2.713 123.249 120.570 -0.057 0.000 2.311 827 I HA 0.469 4.639 4.170 0.001 0.000 0.297 827 I C 0.586 176.636 176.117 -0.111 0.000 1.131 827 I CA 0.570 61.846 61.300 -0.040 0.000 1.289 827 I CB 0.393 38.416 38.000 0.038 0.000 1.446 827 I HN 0.757 nan 8.210 nan 0.000 0.524 828 A N 5.013 127.750 122.820 -0.138 0.000 2.567 828 A HA 0.493 4.813 4.320 0.001 0.000 0.291 828 A C -1.221 176.287 177.584 -0.127 0.000 1.048 828 A CA -0.576 51.364 52.037 -0.162 0.000 0.661 828 A CB 0.850 19.716 19.000 -0.224 0.000 1.288 828 A HN 0.536 nan 8.150 nan 0.000 0.424 829 C N 1.571 120.808 119.300 -0.105 0.000 2.499 829 C HA 0.625 5.086 4.460 0.001 0.000 0.386 829 C C 0.598 175.617 174.990 0.049 0.000 1.293 829 C CA 0.197 59.206 59.018 -0.015 0.000 1.884 829 C CB -0.679 27.058 27.740 -0.006 0.000 2.509 829 C HN 0.786 nan 8.230 nan 0.000 0.566 830 Y N 1.839 122.101 120.300 -0.064 0.000 2.977 830 Y HA 0.118 4.668 4.550 0.001 0.000 0.130 830 Y C 2.384 178.239 175.900 -0.076 0.000 0.885 830 Y CA 0.880 58.907 58.100 -0.122 0.000 1.879 830 Y CB -0.745 37.594 38.460 -0.200 0.000 1.258 830 Y HN 0.587 nan 8.280 nan 0.000 0.284 831 S N -0.247 115.463 115.700 0.016 0.000 2.371 831 S HA 0.210 4.680 4.470 0.001 0.000 0.224 831 S C 1.387 176.160 174.600 0.287 0.000 1.029 831 S CA 1.087 59.310 58.200 0.039 0.000 0.978 831 S CB -0.227 62.963 63.200 -0.017 0.000 0.833 831 S HN 1.239 nan 8.310 nan 0.000 0.466 832 G N -0.224 108.781 108.800 0.342 0.000 2.181 832 G HA2 -0.140 3.820 3.960 0.001 0.000 0.152 832 G HA3 -0.140 3.820 3.960 0.001 0.000 0.152 832 G C 0.002 175.074 174.900 0.288 0.000 1.026 832 G CA 0.138 45.397 45.100 0.265 0.000 0.699 832 G HN 0.432 nan 8.290 nan 0.000 0.497 833 Y N 0.584 120.937 120.300 0.087 0.000 2.483 833 Y HA 0.150 4.700 4.550 0.001 0.000 0.258 833 Y C 2.242 178.181 175.900 0.065 0.000 1.083 833 Y CA 0.418 58.563 58.100 0.076 0.000 1.283 833 Y CB 0.010 38.531 38.460 0.101 0.000 1.178 833 Y HN 0.451 nan 8.280 nan 0.000 0.515 834 N N 0.670 119.512 118.700 0.236 0.000 2.512 834 N HA -0.121 4.619 4.740 0.001 0.000 0.183 834 N C 0.554 176.124 175.510 0.100 0.000 1.073 834 N CA 0.187 53.320 53.050 0.140 0.000 0.911 834 N CB -0.298 38.257 38.487 0.114 0.000 0.964 834 N HN 0.377 nan 8.380 nan 0.000 0.447 835 Q N 1.108 120.970 119.800 0.103 0.000 2.315 835 Q HA -0.054 4.286 4.340 0.001 0.000 0.289 835 Q C -0.505 175.519 176.000 0.040 0.000 1.044 835 Q CA 0.445 56.295 55.803 0.079 0.000 0.920 835 Q CB 0.252 29.022 28.738 0.052 0.000 1.214 835 Q HN 0.163 nan 8.270 nan 0.000 0.392 836 E N 3.552 123.775 120.200 0.038 0.000 2.264 836 E HA -0.265 4.085 4.350 0.001 0.000 0.223 836 E C -1.078 175.527 176.600 0.008 0.000 1.220 836 E CA 0.869 57.274 56.400 0.008 0.000 0.692 836 E CB -1.242 28.448 29.700 -0.018 0.000 1.203 836 E HN 0.989 nan 8.360 nan 0.000 0.384 837 D N -0.631 119.782 120.400 0.021 0.000 2.705 837 D HA -0.176 4.465 4.640 0.001 0.000 0.240 837 D C -0.449 175.863 176.300 0.020 0.000 1.137 837 D CA 1.727 55.736 54.000 0.017 0.000 0.677 837 D CB -1.036 39.761 40.800 -0.005 0.000 1.049 837 D HN 0.499 nan 8.370 nan 0.000 0.427 838 S N -1.421 114.298 115.700 0.033 0.000 2.588 838 S HA 0.805 5.275 4.470 0.001 0.000 0.269 838 S C -0.284 174.349 174.600 0.054 0.000 1.157 838 S CA -1.043 57.180 58.200 0.038 0.000 0.824 838 S CB 3.253 66.472 63.200 0.032 0.000 1.126 838 S HN 0.233 nan 8.310 nan 0.000 0.464 839 M N 0.243 119.879 119.600 0.061 0.000 2.846 839 M HA 0.670 5.151 4.480 0.001 0.000 0.282 839 M C -1.812 174.546 176.300 0.097 0.000 1.266 839 M CA -0.905 54.432 55.300 0.062 0.000 0.766 839 M CB 0.492 33.091 32.600 -0.001 0.000 1.739 839 M HN 0.725 nan 8.290 nan 0.000 0.442 840 I N 1.476 122.105 120.570 0.098 0.000 2.377 840 I HA 0.530 4.701 4.170 0.001 0.000 0.293 840 I C -0.651 175.520 176.117 0.090 0.000 0.987 840 I CA -0.491 60.896 61.300 0.145 0.000 1.185 840 I CB 1.971 40.096 38.000 0.207 0.000 1.341 840 I HN 0.696 nan 8.210 nan 0.000 0.455 841 M N 5.724 125.382 119.600 0.098 0.000 2.253 841 M HA 0.363 4.844 4.480 0.001 0.000 0.314 841 M C -0.478 175.876 176.300 0.091 0.000 1.019 841 M CA -0.702 54.637 55.300 0.066 0.000 0.932 841 M CB 1.397 34.033 32.600 0.060 0.000 1.606 841 M HN 0.531 nan 8.290 nan 0.000 0.430 842 N N 3.528 122.275 118.700 0.079 0.000 2.394 842 N HA -0.123 4.617 4.740 0.001 0.000 0.277 842 N C 0.559 176.115 175.510 0.077 0.000 1.346 842 N CA 0.598 53.701 53.050 0.088 0.000 0.910 842 N CB 0.774 39.301 38.487 0.066 0.000 1.201 842 N HN 0.739 nan 8.380 nan 0.000 0.488 843 Q N 3.051 122.897 119.800 0.078 0.000 1.993 843 Q HA -0.128 4.212 4.340 0.001 0.000 0.202 843 Q C 1.496 177.522 176.000 0.044 0.000 0.984 843 Q CA 2.037 57.869 55.803 0.049 0.000 0.837 843 Q CB -0.632 28.122 28.738 0.027 0.000 0.902 843 Q HN 0.701 nan 8.270 nan 0.000 0.423 844 S N 0.289 116.018 115.700 0.048 0.000 2.393 844 S HA -0.295 4.176 4.470 0.001 0.000 0.235 844 S C 1.968 176.587 174.600 0.031 0.000 1.061 844 S CA 2.229 60.452 58.200 0.037 0.000 1.129 844 S CB -0.939 62.286 63.200 0.043 0.000 1.011 844 S HN 0.746 nan 8.310 nan 0.000 0.436 845 S N 1.598 117.319 115.700 0.036 0.000 2.383 845 S HA -0.091 4.380 4.470 0.001 0.000 0.229 845 S C 1.783 176.400 174.600 0.029 0.000 1.030 845 S CA 1.387 59.602 58.200 0.025 0.000 1.002 845 S CB -0.882 62.335 63.200 0.027 0.000 0.829 845 S HN 0.526 nan 8.310 nan 0.000 0.467 846 I N 2.334 122.933 120.570 0.047 0.000 2.264 846 I HA -0.221 3.949 4.170 0.001 0.000 0.248 846 I C 2.205 178.339 176.117 0.027 0.000 1.111 846 I CA 1.782 63.116 61.300 0.057 0.000 1.382 846 I CB -0.658 37.381 38.000 0.066 0.000 1.060 846 I HN 0.268 nan 8.210 nan 0.000 0.418 847 D N 0.963 121.375 120.400 0.021 0.000 2.078 847 D HA -0.143 4.498 4.640 0.001 0.000 0.193 847 D C 2.078 178.384 176.300 0.011 0.000 0.990 847 D CA 1.142 55.149 54.000 0.012 0.000 0.827 847 D CB -0.343 40.465 40.800 0.014 0.000 0.975 847 D HN 0.243 nan 8.370 nan 0.000 0.451 848 R N -0.089 120.416 120.500 0.008 0.000 2.397 848 R HA 0.058 4.399 4.340 0.001 0.000 0.213 848 R C 1.050 177.355 176.300 0.008 0.000 1.102 848 R CA 0.791 56.891 56.100 -0.001 0.000 1.040 848 R CB -0.257 30.031 30.300 -0.021 0.000 0.844 848 R HN 0.291 nan 8.270 nan 0.000 0.478 849 G N 0.759 109.572 108.800 0.022 0.000 2.148 849 G HA2 -0.221 3.739 3.960 0.001 0.000 0.203 849 G HA3 -0.221 3.739 3.960 0.001 0.000 0.203 849 G C -0.157 174.776 174.900 0.055 0.000 0.993 849 G CA -0.382 44.750 45.100 0.052 0.000 0.661 849 G HN 0.229 nan 8.290 nan 0.000 0.518 850 L N 0.501 121.737 121.223 0.022 0.000 2.499 850 L HA 0.634 4.974 4.340 0.001 0.000 0.273 850 L C 1.336 178.268 176.870 0.104 0.000 1.195 850 L CA 0.609 55.447 54.840 -0.004 0.000 0.882 850 L CB -0.886 41.175 42.059 0.003 0.000 1.133 850 L HN 0.654 nan 8.230 nan 0.000 0.483 851 F N 1.907 121.876 119.950 0.032 0.000 2.945 851 F HA -0.324 4.203 4.527 0.001 0.000 0.334 851 F C 1.285 177.117 175.800 0.053 0.000 0.683 851 F CA 0.965 58.995 58.000 0.049 0.000 1.044 851 F CB -0.791 38.227 39.000 0.031 0.000 1.478 851 F HN 0.612 nan 8.300 nan 0.000 0.324 852 R N 1.081 121.630 120.500 0.081 0.000 2.640 852 R HA 0.294 4.635 4.340 0.001 0.000 0.270 852 R C 0.712 177.068 176.300 0.093 0.000 1.024 852 R CA 0.868 56.895 56.100 -0.122 0.000 1.085 852 R CB 0.733 30.567 30.300 -0.777 0.000 0.963 852 R HN 0.316 nan 8.270 nan 0.000 0.426 853 S N 2.211 118.040 115.700 0.216 0.000 2.874 853 S HA 0.636 5.106 4.470 0.001 0.000 0.318 853 S C -0.109 174.757 174.600 0.443 0.000 1.109 853 S CA -1.000 57.412 58.200 0.354 0.000 0.878 853 S CB 1.239 64.590 63.200 0.252 0.000 1.307 853 S HN 0.396 nan 8.310 nan 0.000 0.592 854 L N -0.961 120.484 121.223 0.370 0.000 2.563 854 L HA 0.797 5.138 4.340 0.001 0.000 0.255 854 L C -1.571 175.569 176.870 0.449 0.000 1.444 854 L CA -0.718 54.344 54.840 0.371 0.000 1.526 854 L CB 1.528 43.845 42.059 0.429 0.000 1.929 854 L HN 0.783 nan 8.230 nan 0.000 0.563 855 F N 0.665 120.752 119.950 0.228 0.000 2.596 855 F HA 0.334 4.861 4.527 0.001 0.000 0.297 855 F C -2.216 173.620 175.800 0.060 0.000 0.931 855 F CA -1.189 56.944 58.000 0.222 0.000 1.037 855 F CB 0.051 39.110 39.000 0.099 0.000 1.328 855 F HN 0.051 nan 8.300 nan 0.000 0.612 856 F N 5.529 125.501 119.950 0.036 0.000 2.551 856 F HA 0.788 5.315 4.527 0.001 0.000 0.316 856 F C -0.052 175.567 175.800 -0.302 0.000 1.089 856 F CA -0.762 57.119 58.000 -0.199 0.000 0.915 856 F CB 2.360 41.351 39.000 -0.016 0.000 1.186 856 F HN 0.571 nan 8.300 nan 0.000 0.456 857 R N 0.006 120.403 120.500 -0.172 0.000 2.854 857 R HA 0.774 5.115 4.340 0.001 0.000 0.271 857 R C -1.357 174.943 176.300 -0.001 0.000 0.994 857 R CA -0.606 55.407 56.100 -0.144 0.000 0.945 857 R CB 2.000 32.124 30.300 -0.294 0.000 1.194 857 R HN 0.667 nan 8.270 nan 0.000 0.476 858 S N 2.381 118.056 115.700 -0.042 0.000 2.158 858 S HA 0.255 4.726 4.470 0.001 0.000 0.160 858 S C -1.190 173.431 174.600 0.034 0.000 1.693 858 S CA -0.644 57.580 58.200 0.039 0.000 1.251 858 S CB -0.060 63.154 63.200 0.024 0.000 1.153 858 S HN 0.391 nan 8.310 nan 0.000 0.439 859 Y N 2.022 122.301 120.300 -0.035 0.000 2.607 859 Y HA 0.319 4.870 4.550 0.001 0.000 0.348 859 Y C 0.594 176.485 175.900 -0.015 0.000 1.261 859 Y CA -0.137 57.952 58.100 -0.018 0.000 1.480 859 Y CB 0.310 38.750 38.460 -0.034 0.000 1.358 859 Y HN 0.442 nan 8.280 nan 0.000 0.630 860 M N 1.828 121.531 119.600 0.171 0.000 2.603 860 M HA 0.400 4.881 4.480 0.001 0.000 0.275 860 M C -2.441 173.990 176.300 0.219 0.000 1.226 860 M CA -0.411 54.974 55.300 0.142 0.000 0.870 860 M CB 2.946 35.622 32.600 0.127 0.000 1.716 860 M HN 0.857 nan 8.290 nan 0.000 0.482 861 D N 1.100 121.683 120.400 0.304 0.000 2.694 861 D HA 0.409 5.049 4.640 0.001 0.000 0.260 861 D C -1.891 174.741 176.300 0.555 0.000 1.250 861 D CA -0.035 54.196 54.000 0.385 0.000 0.763 861 D CB 2.289 43.316 40.800 0.378 0.000 1.311 861 D HN 0.762 nan 8.370 nan 0.000 0.420 862 Q N 0.130 120.145 119.800 0.358 0.000 2.892 862 Q HA 0.434 4.774 4.340 0.001 0.000 0.307 862 Q C -0.913 175.036 176.000 -0.085 0.000 1.039 862 Q CA -0.846 55.092 55.803 0.224 0.000 0.792 862 Q CB 2.235 31.007 28.738 0.057 0.000 1.504 862 Q HN 0.225 nan 8.270 nan 0.000 0.487 863 E N 1.442 121.547 120.200 -0.159 0.000 2.073 863 E HA 0.224 4.574 4.350 0.001 0.000 0.269 863 E C -1.095 175.417 176.600 -0.147 0.000 0.917 863 E CA -0.309 55.937 56.400 -0.256 0.000 0.757 863 E CB 1.190 30.734 29.700 -0.260 0.000 1.111 863 E HN 0.166 nan 8.360 nan 0.000 0.410 864 K N 2.403 122.719 120.400 -0.141 0.000 2.380 864 K HA 0.168 4.488 4.320 0.001 0.000 0.267 864 K C 0.149 176.647 176.600 -0.172 0.000 0.990 864 K CA 0.350 56.530 56.287 -0.179 0.000 0.946 864 K CB 0.779 33.154 32.500 -0.209 0.000 0.937 864 K HN 0.231 nan 8.250 nan 0.000 0.491 865 K N 0.905 121.142 120.400 -0.272 0.000 2.349 865 K HA 0.440 4.760 4.320 0.001 0.000 0.243 865 K C -1.381 175.014 176.600 -0.341 0.000 1.058 865 K CA -0.871 55.330 56.287 -0.144 0.000 0.871 865 K CB 1.291 33.751 32.500 -0.066 0.000 1.337 865 K HN 0.400 nan 8.250 nan 0.000 0.469 866 Y N -0.389 119.904 120.300 -0.011 0.000 2.477 866 Y HA 0.140 4.691 4.550 0.001 0.000 0.332 866 Y C 0.805 176.704 175.900 -0.002 0.000 1.151 866 Y CA -0.363 57.733 58.100 -0.006 0.000 1.349 866 Y CB 1.114 39.570 38.460 -0.006 0.000 1.108 866 Y HN 0.971 nan 8.280 nan 0.000 0.567 867 G N 1.918 110.780 108.800 0.103 0.000 3.348 867 G HA2 -0.452 3.509 3.960 0.001 0.000 0.392 867 G HA3 -0.452 3.509 3.960 0.001 0.000 0.392 867 G C 1.057 175.999 174.900 0.070 0.000 2.142 867 G CA 1.852 46.995 45.100 0.070 0.000 2.434 867 G HN 0.572 nan 8.290 nan 0.000 0.934 868 M N 1.647 121.294 119.600 0.078 0.000 3.543 868 M HA 0.331 4.811 4.480 0.001 0.000 0.181 868 M C 1.180 177.511 176.300 0.052 0.000 1.448 868 M CA 0.710 56.041 55.300 0.052 0.000 1.587 868 M CB -0.279 32.343 32.600 0.037 0.000 1.380 868 M HN 0.206 nan 8.290 nan 0.000 0.447 869 S N 0.583 116.318 115.700 0.059 0.000 3.425 869 S HA -0.163 4.308 4.470 0.001 0.000 0.377 869 S C 0.165 174.802 174.600 0.062 0.000 0.989 869 S CA 0.508 58.741 58.200 0.054 0.000 1.183 869 S CB -1.656 61.564 63.200 0.034 0.000 0.908 869 S HN 0.621 nan 8.310 nan 0.000 0.472 870 I N 1.782 122.417 120.570 0.109 0.000 2.307 870 I HA 0.252 4.422 4.170 0.001 0.000 0.287 870 I C 0.544 176.806 176.117 0.241 0.000 1.054 870 I CA -0.089 61.273 61.300 0.103 0.000 1.218 870 I CB 1.163 39.148 38.000 -0.025 0.000 1.398 870 I HN 0.042 nan 8.210 nan 0.000 0.475 871 T N 4.408 119.042 114.554 0.132 0.000 2.932 871 T HA 0.407 4.757 4.350 0.001 0.000 0.289 871 T C -0.050 174.692 174.700 0.069 0.000 1.039 871 T CA -0.779 61.386 62.100 0.109 0.000 1.024 871 T CB 2.072 70.963 68.868 0.039 0.000 1.090 871 T HN 0.433 nan 8.240 nan 0.000 0.496 872 E N 0.400 120.611 120.200 0.020 0.000 2.602 872 E HA 0.641 4.991 4.350 0.001 0.000 0.255 872 E C -0.518 176.020 176.600 -0.103 0.000 1.268 872 E CA -0.707 55.672 56.400 -0.034 0.000 1.007 872 E CB 0.816 30.468 29.700 -0.080 0.000 1.208 872 E HN 0.432 nan 8.360 nan 0.000 0.584 873 T N 0.221 114.696 114.554 -0.131 0.000 2.894 873 T HA 0.319 4.670 4.350 0.001 0.000 0.309 873 T C -1.237 173.420 174.700 -0.071 0.000 1.208 873 T CA -0.660 61.374 62.100 -0.110 0.000 1.016 873 T CB 0.578 69.445 68.868 -0.002 0.000 1.192 873 T HN 0.281 nan 8.240 nan 0.000 0.491 874 F N 3.003 122.983 119.950 0.050 0.000 2.359 874 F HA 0.329 4.856 4.527 0.001 0.000 0.355 874 F C 1.098 176.924 175.800 0.043 0.000 1.132 874 F CA -0.701 57.328 58.000 0.048 0.000 1.246 874 F CB 0.409 39.436 39.000 0.044 0.000 1.569 874 F HN 0.568 nan 8.300 nan 0.000 0.561 875 E N 1.153 121.496 120.200 0.238 0.000 2.449 875 E HA 0.395 4.745 4.350 0.001 0.000 0.254 875 E C -1.050 175.636 176.600 0.143 0.000 0.907 875 E CA -1.307 55.181 56.400 0.148 0.000 0.840 875 E CB 1.621 31.380 29.700 0.099 0.000 1.459 875 E HN 0.149 nan 8.360 nan 0.000 0.407 876 K N 1.766 122.228 120.400 0.104 0.000 2.533 876 K HA 0.303 4.624 4.320 0.001 0.000 0.207 876 K C -2.274 174.356 176.600 0.050 0.000 1.052 876 K CA -1.960 54.398 56.287 0.119 0.000 1.030 876 K CB 0.719 33.275 32.500 0.094 0.000 1.522 876 K HN 0.369 nan 8.250 nan 0.000 0.543 877 P HA 0.076 nan 4.420 nan 0.000 0.274 877 P C -0.756 176.421 177.300 -0.204 0.000 1.260 877 P CA -0.004 63.059 63.100 -0.062 0.000 0.793 877 P CB 1.211 32.894 31.700 -0.029 0.000 1.048 878 Q N -1.572 118.119 119.800 -0.181 0.000 2.328 878 Q HA 0.334 4.675 4.340 0.001 0.000 0.429 878 Q C 1.385 177.296 176.000 -0.148 0.000 0.492 878 Q CA -0.738 54.932 55.803 -0.221 0.000 1.012 878 Q CB -0.178 28.461 28.738 -0.165 0.000 0.861 878 Q HN -0.086 nan 8.270 nan 0.000 0.364 879 R N 0.865 121.301 120.500 -0.108 0.000 2.401 879 R HA -0.025 4.315 4.340 0.001 0.000 0.198 879 R C -0.020 176.243 176.300 -0.061 0.000 0.980 879 R CA 1.993 58.047 56.100 -0.077 0.000 0.839 879 R CB -1.558 28.708 30.300 -0.056 0.000 0.717 879 R HN 0.882 nan 8.270 nan 0.000 0.464 880 T N 1.472 115.999 114.554 -0.046 0.000 3.506 880 T HA -0.195 4.155 4.350 0.001 0.000 0.407 880 T C 0.467 175.149 174.700 -0.031 0.000 0.766 880 T CA 0.905 62.984 62.100 -0.035 0.000 2.070 880 T CB -1.082 67.765 68.868 -0.034 0.000 1.712 880 T HN 0.515 nan 8.240 nan 0.000 0.692 881 N N -0.481 118.202 118.700 -0.028 0.000 3.489 881 N HA -0.313 4.427 4.740 0.001 0.000 0.206 881 N C 1.553 177.048 175.510 -0.026 0.000 0.368 881 N CA 2.690 55.726 53.050 -0.023 0.000 2.164 881 N CB -1.857 36.618 38.487 -0.019 0.000 1.440 881 N HN 0.642 nan 8.380 nan 0.000 0.372 882 T N 2.362 116.901 114.554 -0.024 0.000 2.563 882 T HA -0.317 4.034 4.350 0.001 0.000 0.218 882 T C 1.709 176.394 174.700 -0.025 0.000 1.379 882 T CA 3.313 65.399 62.100 -0.023 0.000 1.045 882 T CB -0.606 68.249 68.868 -0.023 0.000 0.788 882 T HN 0.599 nan 8.240 nan 0.000 0.483 883 L N -2.552 118.648 121.223 -0.038 0.000 4.235 883 L HA -0.207 4.133 4.340 0.001 0.000 0.385 883 L C 0.681 177.526 176.870 -0.041 0.000 0.733 883 L CA 1.209 56.024 54.840 -0.042 0.000 2.629 883 L CB -1.151 40.892 42.059 -0.027 0.000 1.001 883 L HN 0.274 nan 8.230 nan 0.000 0.662 884 R N 1.602 122.088 120.500 -0.023 0.000 2.606 884 R HA 0.293 4.633 4.340 0.001 0.000 0.276 884 R C 0.243 176.540 176.300 -0.004 0.000 1.416 884 R CA 0.696 56.793 56.100 -0.006 0.000 1.064 884 R CB -0.124 30.181 30.300 0.008 0.000 1.117 884 R HN 0.457 nan 8.270 nan 0.000 0.543 885 M N 0.432 120.022 119.600 -0.016 0.000 2.405 885 M HA 0.415 4.895 4.480 0.001 0.000 0.268 885 M C 0.230 176.574 176.300 0.073 0.000 1.368 885 M CA -0.617 54.691 55.300 0.013 0.000 1.595 885 M CB 0.744 33.274 32.600 -0.117 0.000 1.655 885 M HN 0.005 nan 8.290 nan 0.000 0.841 886 K N -0.692 119.785 120.400 0.129 0.000 1.893 886 K HA 0.432 4.752 4.320 0.001 0.000 0.252 886 K C 0.534 177.062 176.600 -0.120 0.000 0.877 886 K CA -0.474 55.871 56.287 0.097 0.000 0.735 886 K CB 0.272 32.891 32.500 0.198 0.000 1.814 886 K HN 0.550 nan 8.250 nan 0.000 0.602 887 H N -0.972 118.186 119.070 0.147 0.000 3.400 887 H HA 0.211 4.767 4.556 0.001 0.000 0.251 887 H C 0.357 175.736 175.328 0.084 0.000 1.040 887 H CA 0.178 56.288 56.048 0.103 0.000 1.175 887 H CB 0.976 30.771 29.762 0.056 0.000 1.487 887 H HN 0.573 nan 8.280 nan 0.000 0.505 888 G N 1.587 110.467 108.800 0.133 0.000 2.370 888 G HA2 0.140 4.100 3.960 0.001 0.000 0.272 888 G HA3 0.140 4.100 3.960 0.001 0.000 0.272 888 G C -0.062 174.849 174.900 0.019 0.000 1.208 888 G CA -0.164 44.954 45.100 0.030 0.000 0.856 888 G HN -0.002 nan 8.290 nan 0.000 0.500 889 T N 2.789 117.371 114.554 0.048 0.000 2.596 889 T HA -0.153 4.197 4.350 0.001 0.000 0.252 889 T C 0.889 175.623 174.700 0.056 0.000 1.033 889 T CA 0.825 62.972 62.100 0.078 0.000 1.215 889 T CB -0.055 68.834 68.868 0.035 0.000 1.011 889 T HN 0.469 nan 8.240 nan 0.000 0.498 890 Y N 2.034 122.326 120.300 -0.015 0.000 2.263 890 Y HA -0.085 4.465 4.550 0.001 0.000 0.292 890 Y C 2.032 177.919 175.900 -0.023 0.000 1.130 890 Y CA 0.948 59.037 58.100 -0.018 0.000 1.179 890 Y CB -0.424 38.028 38.460 -0.014 0.000 0.998 890 Y HN 0.659 nan 8.280 nan 0.000 0.532 891 D N 0.437 120.918 120.400 0.136 0.000 2.600 891 D HA -0.320 4.320 4.640 0.001 0.000 0.194 891 D C 1.638 177.953 176.300 0.025 0.000 1.040 891 D CA 2.448 56.485 54.000 0.063 0.000 0.871 891 D CB -0.418 40.405 40.800 0.038 0.000 0.973 891 D HN 0.264 nan 8.370 nan 0.000 0.470 892 K N -0.317 120.079 120.400 -0.006 0.000 2.520 892 K HA -0.094 4.226 4.320 0.001 0.000 0.198 892 K C 0.114 176.688 176.600 -0.044 0.000 1.045 892 K CA 0.256 56.521 56.287 -0.037 0.000 0.934 892 K CB -0.242 32.219 32.500 -0.065 0.000 0.766 892 K HN 0.302 nan 8.250 nan 0.000 0.483 893 L N 2.213 123.424 121.223 -0.020 0.000 2.268 893 L HA 0.075 4.416 4.340 0.001 0.000 0.289 893 L C 0.049 176.920 176.870 0.001 0.000 1.064 893 L CA -0.639 54.191 54.840 -0.017 0.000 0.824 893 L CB 0.679 42.752 42.059 0.025 0.000 1.202 893 L HN 0.037 nan 8.230 nan 0.000 0.433 894 D N 1.291 121.679 120.400 -0.020 0.000 2.223 894 D HA -0.094 4.546 4.640 0.001 0.000 0.250 894 D C 0.825 177.127 176.300 0.004 0.000 1.287 894 D CA 0.145 54.139 54.000 -0.012 0.000 0.977 894 D CB 0.636 41.421 40.800 -0.025 0.000 1.177 894 D HN 0.455 nan 8.370 nan 0.000 0.536 895 D N -1.183 119.220 120.400 0.006 0.000 2.183 895 D HA -0.089 4.551 4.640 0.001 0.000 0.203 895 D C 0.821 177.138 176.300 0.028 0.000 0.969 895 D CA 0.735 54.747 54.000 0.020 0.000 0.842 895 D CB -0.119 40.691 40.800 0.018 0.000 0.957 895 D HN 0.437 nan 8.370 nan 0.000 0.484 896 D N -1.080 119.326 120.400 0.010 0.000 2.403 896 D HA 0.017 4.657 4.640 0.001 0.000 0.227 896 D C 1.493 177.798 176.300 0.008 0.000 0.995 896 D CA 0.923 54.932 54.000 0.015 0.000 0.928 896 D CB -0.460 40.331 40.800 -0.015 0.000 0.887 896 D HN 0.211 nan 8.370 nan 0.000 0.529 897 G N -0.849 107.958 108.800 0.011 0.000 2.159 897 G HA2 -0.258 3.703 3.960 0.001 0.000 0.256 897 G HA3 -0.258 3.703 3.960 0.001 0.000 0.256 897 G C 0.028 174.871 174.900 -0.094 0.000 0.977 897 G CA 0.438 45.548 45.100 0.017 0.000 0.652 897 G HN 0.426 nan 8.290 nan 0.000 0.531 898 L N -0.328 120.820 121.223 -0.126 0.000 2.286 898 L HA 0.736 5.076 4.340 0.001 0.000 0.265 898 L C 0.629 177.427 176.870 -0.120 0.000 1.012 898 L CA -1.506 53.233 54.840 -0.169 0.000 0.818 898 L CB 1.655 43.588 42.059 -0.210 0.000 1.337 898 L HN -0.014 nan 8.230 nan 0.000 0.438 899 I N 0.828 121.318 120.570 -0.133 0.000 2.385 899 I HA 0.415 4.585 4.170 0.001 0.000 0.294 899 I C 0.360 176.417 176.117 -0.100 0.000 0.988 899 I CA -0.481 60.752 61.300 -0.112 0.000 1.265 899 I CB 1.804 39.724 38.000 -0.134 0.000 1.388 899 I HN 0.602 nan 8.210 nan 0.000 0.480 900 A N 7.175 129.947 122.820 -0.079 0.000 2.371 900 A HA 0.376 4.696 4.320 0.001 0.000 0.257 900 A C -1.693 175.846 177.584 -0.075 0.000 1.089 900 A CA -1.180 50.815 52.037 -0.070 0.000 0.794 900 A CB -0.016 18.952 19.000 -0.054 0.000 1.029 900 A HN 0.565 nan 8.150 nan 0.000 0.488 901 P HA -0.224 nan 4.420 nan 0.000 0.217 901 P C 1.675 178.932 177.300 -0.071 0.000 1.158 901 P CA 2.337 65.394 63.100 -0.072 0.000 0.887 901 P CB 0.112 31.776 31.700 -0.061 0.000 0.792 902 G N -0.666 108.097 108.800 -0.061 0.000 2.432 902 G HA2 -0.152 3.808 3.960 0.001 0.000 0.219 902 G HA3 -0.152 3.808 3.960 0.001 0.000 0.219 902 G C 0.418 175.281 174.900 -0.060 0.000 1.135 902 G CA 0.169 45.235 45.100 -0.056 0.000 0.767 902 G HN 0.178 nan 8.290 nan 0.000 0.550 903 V N 0.136 120.012 119.914 -0.064 0.000 2.992 903 V HA -0.052 4.069 4.120 0.001 0.000 0.294 903 V C 0.878 176.929 176.094 -0.072 0.000 1.254 903 V CA 0.503 62.764 62.300 -0.065 0.000 1.359 903 V CB 0.374 32.152 31.823 -0.075 0.000 0.914 903 V HN 0.405 nan 8.190 nan 0.000 0.519 904 R N 2.893 123.355 120.500 -0.062 0.000 2.247 904 R HA 0.520 4.861 4.340 0.001 0.000 0.329 904 R C -0.572 175.688 176.300 -0.068 0.000 1.014 904 R CA -0.484 55.579 56.100 -0.062 0.000 0.907 904 R CB 1.130 31.402 30.300 -0.045 0.000 1.146 904 R HN 0.763 nan 8.270 nan 0.000 0.499 905 V N 1.580 121.442 119.914 -0.087 0.000 2.785 905 V HA 0.681 4.801 4.120 0.001 0.000 0.300 905 V C 0.319 176.368 176.094 -0.075 0.000 1.062 905 V CA 0.110 62.351 62.300 -0.098 0.000 1.029 905 V CB 1.609 33.344 31.823 -0.146 0.000 1.024 905 V HN 0.913 nan 8.190 nan 0.000 0.477 906 S N 2.178 117.838 115.700 -0.066 0.000 4.019 906 S HA 0.575 5.046 4.470 0.001 0.000 0.199 906 S C 1.433 176.015 174.600 -0.031 0.000 1.177 906 S CA 0.186 58.362 58.200 -0.040 0.000 1.478 906 S CB 0.216 63.399 63.200 -0.027 0.000 1.580 906 S HN 1.506 nan 8.310 nan 0.000 0.766 907 G N 1.376 110.164 108.800 -0.019 0.000 2.911 907 G HA2 -0.108 3.853 3.960 0.001 0.000 0.193 907 G HA3 -0.108 3.853 3.960 0.001 0.000 0.193 907 G C 0.443 175.336 174.900 -0.013 0.000 1.364 907 G CA 1.213 46.308 45.100 -0.009 0.000 0.798 907 G HN 0.780 nan 8.290 nan 0.000 0.749 908 E N 0.992 121.184 120.200 -0.013 0.000 2.558 908 E HA 0.167 4.518 4.350 0.001 0.000 0.205 908 E C -0.604 175.962 176.600 -0.057 0.000 1.006 908 E CA -0.256 56.135 56.400 -0.016 0.000 0.961 908 E CB 0.270 29.980 29.700 0.015 0.000 1.044 908 E HN 0.504 nan 8.360 nan 0.000 0.465 909 D N 0.932 121.285 120.400 -0.078 0.000 2.461 909 D HA -0.082 4.559 4.640 0.001 0.000 0.231 909 D C 0.060 176.236 176.300 -0.207 0.000 1.208 909 D CA 0.334 54.258 54.000 -0.126 0.000 0.879 909 D CB 0.625 41.355 40.800 -0.117 0.000 1.220 909 D HN -0.191 nan 8.370 nan 0.000 0.480 910 V N 1.220 120.952 119.914 -0.303 0.000 2.567 910 V HA 0.185 4.306 4.120 0.001 0.000 0.289 910 V C 1.163 177.081 176.094 -0.294 0.000 1.049 910 V CA -0.334 61.741 62.300 -0.374 0.000 0.969 910 V CB 1.394 32.800 31.823 -0.694 0.000 0.995 910 V HN 0.514 nan 8.190 nan 0.000 0.471 911 I N 3.156 123.561 120.570 -0.276 0.000 4.187 911 I HA 0.349 4.519 4.170 0.001 0.000 0.326 911 I C 0.080 176.077 176.117 -0.200 0.000 1.302 911 I CA 0.729 61.869 61.300 -0.267 0.000 1.196 911 I CB 0.596 38.369 38.000 -0.379 0.000 1.095 911 I HN 0.399 nan 8.210 nan 0.000 0.411 912 I N 0.978 121.458 120.570 -0.149 0.000 2.563 912 I HA 0.265 4.435 4.170 0.001 0.000 0.285 912 I C -0.158 175.981 176.117 0.036 0.000 1.123 912 I CA -0.453 60.798 61.300 -0.083 0.000 1.059 912 I CB 1.917 39.897 38.000 -0.033 0.000 1.229 912 I HN -0.069 nan 8.210 nan 0.000 0.442 913 G N 5.954 114.806 108.800 0.087 0.000 2.338 913 G HA2 0.459 4.419 3.960 0.001 0.000 0.295 913 G HA3 0.459 4.419 3.960 0.001 0.000 0.295 913 G C -0.729 174.365 174.900 0.323 0.000 1.132 913 G CA -0.195 45.034 45.100 0.214 0.000 0.922 913 G HN 0.574 nan 8.290 nan 0.000 0.427 914 K N 1.053 121.621 120.400 0.280 0.000 2.482 914 K HA 0.740 5.060 4.320 0.001 0.000 0.257 914 K C -0.490 176.186 176.600 0.126 0.000 0.969 914 K CA -0.633 55.789 56.287 0.225 0.000 0.842 914 K CB 2.135 34.765 32.500 0.217 0.000 1.359 914 K HN 0.571 nan 8.250 nan 0.000 0.441 915 T N -1.453 113.137 114.554 0.060 0.000 2.804 915 T HA 0.628 4.978 4.350 0.001 0.000 0.290 915 T C -0.882 173.836 174.700 0.029 0.000 1.099 915 T CA -0.716 61.412 62.100 0.046 0.000 1.011 915 T CB 1.761 70.651 68.868 0.038 0.000 1.291 915 T HN 0.460 nan 8.240 nan 0.000 0.523 916 T N 2.521 117.096 114.554 0.034 0.000 3.041 916 T HA 0.613 4.963 4.350 0.001 0.000 0.321 916 T C -3.097 171.610 174.700 0.011 0.000 1.184 916 T CA -1.010 61.118 62.100 0.047 0.000 1.050 916 T CB 2.123 71.039 68.868 0.080 0.000 1.159 916 T HN 0.623 nan 8.240 nan 0.000 0.469 917 P HA 0.601 nan 4.420 nan 0.000 0.297 917 P C -1.122 176.093 177.300 -0.141 0.000 1.331 917 P CA -0.526 62.533 63.100 -0.068 0.000 0.803 917 P CB 0.786 32.444 31.700 -0.070 0.000 0.929 918 I N 2.483 122.991 120.570 -0.103 0.000 2.571 918 I HA 0.286 4.457 4.170 0.001 0.000 0.289 918 I C 0.347 176.415 176.117 -0.081 0.000 1.115 918 I CA -0.479 60.751 61.300 -0.116 0.000 1.045 918 I CB 2.426 40.382 38.000 -0.074 0.000 1.238 918 I HN 0.392 nan 8.210 nan 0.000 0.424 934 K N 2.915 123.308 120.400 -0.012 0.000 3.237 934 K HA 0.259 4.579 4.320 0.001 0.000 0.197 934 K C 0.087 176.686 176.600 -0.000 0.000 1.133 934 K CA -0.551 55.732 56.287 -0.007 0.000 0.944 934 K CB 0.484 32.976 32.500 -0.013 0.000 0.952 934 K HN 0.543 nan 8.250 nan 0.000 0.515 935 R N 0.772 121.276 120.500 0.006 0.000 2.570 935 R HA 0.029 4.369 4.340 0.001 0.000 0.277 935 R C -0.308 176.013 176.300 0.035 0.000 1.039 935 R CA -0.134 55.976 56.100 0.017 0.000 1.065 935 R CB 0.484 30.795 30.300 0.019 0.000 0.964 935 R HN 0.159 nan 8.270 nan 0.000 0.428 936 D N 1.772 122.199 120.400 0.046 0.000 2.329 936 D HA 0.227 4.868 4.640 0.001 0.000 0.246 936 D C -0.467 175.885 176.300 0.086 0.000 1.111 936 D CA 0.218 54.266 54.000 0.080 0.000 0.941 936 D CB 1.462 42.326 40.800 0.106 0.000 1.169 936 D HN 0.720 nan 8.370 nan 0.000 0.441 937 A N 1.737 124.621 122.820 0.106 0.000 2.519 937 A HA 0.206 4.526 4.320 0.001 0.000 0.236 937 A C 0.402 178.061 177.584 0.125 0.000 0.875 937 A CA -0.383 51.714 52.037 0.100 0.000 1.172 937 A CB -0.195 18.853 19.000 0.080 0.000 1.211 937 A HN 0.358 nan 8.150 nan 0.000 0.454 938 S N 0.429 116.212 115.700 0.138 0.000 2.641 938 S HA 0.427 4.897 4.470 0.001 0.000 0.251 938 S C 0.389 175.035 174.600 0.077 0.000 1.332 938 S CA 0.615 58.887 58.200 0.120 0.000 0.968 938 S CB 0.301 63.559 63.200 0.096 0.000 0.987 938 S HN 0.526 nan 8.310 nan 0.000 0.587 939 T N 3.314 117.880 114.554 0.020 0.000 3.008 939 T HA 0.405 4.755 4.350 0.001 0.000 0.328 939 T C -2.730 171.934 174.700 -0.061 0.000 1.020 939 T CA -0.949 61.167 62.100 0.026 0.000 1.043 939 T CB 1.565 70.477 68.868 0.074 0.000 1.010 939 T HN 0.349 nan 8.240 nan 0.000 0.466 940 P HA 0.393 nan 4.420 nan 0.000 0.276 940 P C -0.238 177.029 177.300 -0.054 0.000 1.261 940 P CA -0.763 62.290 63.100 -0.079 0.000 0.800 940 P CB 1.055 32.742 31.700 -0.021 0.000 1.066 941 L N 1.304 122.461 121.223 -0.110 0.000 2.475 941 L HA 0.219 4.560 4.340 0.001 0.000 0.253 941 L C 1.061 178.030 176.870 0.165 0.000 1.198 941 L CA -0.241 54.556 54.840 -0.071 0.000 0.814 941 L CB -0.145 41.828 42.059 -0.143 0.000 1.134 941 L HN 0.260 nan 8.230 nan 0.000 0.478 942 R N 1.150 121.836 120.500 0.309 0.000 2.387 942 R HA 0.031 4.371 4.340 0.001 0.000 0.321 942 R C 1.449 177.810 176.300 0.102 0.000 1.174 942 R CA 0.664 56.876 56.100 0.186 0.000 1.002 942 R CB 0.003 30.398 30.300 0.158 0.000 1.028 942 R HN 0.978 nan 8.270 nan 0.000 0.482 943 S N 1.632 117.371 115.700 0.065 0.000 2.461 943 S HA -0.339 4.131 4.470 0.001 0.000 0.266 943 S C 1.725 176.348 174.600 0.037 0.000 1.138 943 S CA 2.559 60.781 58.200 0.037 0.000 1.146 943 S CB -0.682 62.532 63.200 0.024 0.000 1.042 943 S HN 0.649 nan 8.310 nan 0.000 0.448 944 T N 1.488 116.067 114.554 0.041 0.000 2.643 944 T HA 0.025 4.376 4.350 0.001 0.000 0.264 944 T C 0.919 175.656 174.700 0.062 0.000 1.045 944 T CA 1.257 63.382 62.100 0.042 0.000 1.155 944 T CB -0.560 68.327 68.868 0.032 0.000 0.863 944 T HN 0.639 nan 8.240 nan 0.000 0.420 945 E N 2.352 122.609 120.200 0.094 0.000 2.391 945 E HA 0.447 4.797 4.350 0.001 0.000 0.255 945 E C -0.327 176.315 176.600 0.070 0.000 1.187 945 E CA -0.313 56.158 56.400 0.119 0.000 0.941 945 E CB 0.311 30.116 29.700 0.175 0.000 1.010 945 E HN 0.674 nan 8.360 nan 0.000 0.458 946 N N -1.025 117.704 118.700 0.049 0.000 3.997 946 N HA 0.447 5.187 4.740 0.001 0.000 0.209 946 N C -0.582 174.918 175.510 -0.016 0.000 1.108 946 N CA -0.164 52.887 53.050 0.001 0.000 1.020 946 N CB 0.847 39.334 38.487 0.000 0.000 1.628 946 N HN 0.554 nan 8.380 nan 0.000 0.588 947 G N 0.201 108.969 108.800 -0.055 0.000 3.074 947 G HA2 0.487 4.448 3.960 0.001 0.000 0.127 947 G HA3 0.487 4.448 3.960 0.001 0.000 0.127 947 G C -1.642 173.206 174.900 -0.088 0.000 1.216 947 G CA -0.450 44.609 45.100 -0.068 0.000 1.390 947 G HN 0.634 nan 8.290 nan 0.000 0.676 948 I N 1.060 121.558 120.570 -0.121 0.000 2.582 948 I HA 0.478 4.649 4.170 0.001 0.000 0.292 948 I C 0.122 176.153 176.117 -0.143 0.000 1.066 948 I CA -1.101 60.128 61.300 -0.119 0.000 1.053 948 I CB 2.401 40.336 38.000 -0.109 0.000 1.241 948 I HN 0.190 nan 8.210 nan 0.000 0.421 949 V N 3.545 123.382 119.914 -0.128 0.000 3.032 949 V HA -0.083 4.037 4.120 0.001 0.000 0.307 949 V C 0.539 176.562 176.094 -0.118 0.000 1.097 949 V CA 0.880 63.102 62.300 -0.130 0.000 1.191 949 V CB 0.982 32.734 31.823 -0.119 0.000 0.964 949 V HN 0.972 nan 8.190 nan 0.000 0.494 950 D N 0.458 120.797 120.400 -0.102 0.000 2.480 950 D HA 0.165 4.805 4.640 0.001 0.000 0.243 950 D C 0.200 176.476 176.300 -0.040 0.000 1.120 950 D CA 0.196 54.150 54.000 -0.076 0.000 0.835 950 D CB 0.539 41.291 40.800 -0.079 0.000 1.204 950 D HN 0.649 nan 8.370 nan 0.000 0.513 951 Q N 0.434 120.206 119.800 -0.047 0.000 3.234 951 Q HA 0.155 4.495 4.340 0.001 0.000 0.175 951 Q C -2.300 173.663 176.000 -0.062 0.000 0.978 951 Q CA -0.433 55.340 55.803 -0.049 0.000 1.231 951 Q CB 0.205 28.923 28.738 -0.034 0.000 1.790 951 Q HN -0.069 nan 8.270 nan 0.000 0.598 952 V N 4.966 124.833 119.914 -0.079 0.000 2.630 952 V HA 0.767 4.887 4.120 0.001 0.000 0.305 952 V C -0.094 175.940 176.094 -0.100 0.000 1.046 952 V CA -0.601 61.638 62.300 -0.102 0.000 0.934 952 V CB 1.621 33.372 31.823 -0.120 0.000 1.003 952 V HN 0.692 nan 8.190 nan 0.000 0.451 953 L N 2.339 123.489 121.223 -0.122 0.000 2.455 953 L HA 0.934 5.274 4.340 0.001 0.000 0.264 953 L C -1.482 175.311 176.870 -0.129 0.000 0.968 953 L CA -0.773 54.001 54.840 -0.110 0.000 0.827 953 L CB 2.337 44.334 42.059 -0.103 0.000 1.317 953 L HN 0.327 nan 8.230 nan 0.000 0.407 954 V N 1.427 121.293 119.914 -0.080 0.000 2.409 954 V HA 0.583 4.703 4.120 0.001 0.000 0.290 954 V C 0.071 176.174 176.094 0.015 0.000 1.017 954 V CA -0.056 62.220 62.300 -0.041 0.000 0.841 954 V CB 1.392 33.203 31.823 -0.020 0.000 1.003 954 V HN 0.967 nan 8.190 nan 0.000 0.426 955 T N 2.873 117.459 114.554 0.052 0.000 2.940 955 T HA 0.485 4.836 4.350 0.001 0.000 0.288 955 T C 0.743 175.555 174.700 0.188 0.000 1.045 955 T CA -0.230 61.935 62.100 0.108 0.000 1.018 955 T CB 2.093 71.031 68.868 0.116 0.000 1.151 955 T HN 0.717 nan 8.240 nan 0.000 0.529 956 T N 2.029 116.678 114.554 0.159 0.000 4.604 956 T HA 0.299 4.649 4.350 0.001 0.000 0.390 956 T C 0.104 174.916 174.700 0.187 0.000 1.141 956 T CA -0.255 61.935 62.100 0.150 0.000 0.919 956 T CB -0.157 68.773 68.868 0.103 0.000 1.732 956 T HN 0.720 nan 8.240 nan 0.000 0.490 957 N N -1.364 117.405 118.700 0.115 0.000 3.993 957 N HA 0.043 4.784 4.740 0.001 0.000 0.204 957 N C 0.302 175.828 175.510 0.027 0.000 1.071 957 N CA -0.302 52.784 53.050 0.059 0.000 1.076 957 N CB 0.225 38.696 38.487 -0.028 0.000 1.644 957 N HN 0.515 nan 8.380 nan 0.000 0.650 958 Q N 0.372 120.184 119.800 0.019 0.000 2.191 958 Q HA -0.340 4.000 4.340 0.001 0.000 0.219 958 Q C 0.160 176.170 176.000 0.015 0.000 1.044 958 Q CA 2.866 58.681 55.803 0.020 0.000 0.933 958 Q CB -0.269 28.474 28.738 0.008 0.000 1.049 958 Q HN 0.723 nan 8.270 nan 0.000 0.424 959 D N -2.393 118.005 120.400 -0.003 0.000 2.083 959 D HA -0.070 4.570 4.640 0.001 0.000 0.199 959 D C 1.586 177.894 176.300 0.013 0.000 0.980 959 D CA 1.806 55.805 54.000 -0.001 0.000 0.851 959 D CB -0.059 40.729 40.800 -0.021 0.000 0.997 959 D HN 0.496 nan 8.370 nan 0.000 0.449 960 G N -0.578 108.231 108.800 0.015 0.000 3.990 960 G HA2 0.001 3.961 3.960 0.001 0.000 0.213 960 G HA3 0.001 3.961 3.960 0.001 0.000 0.213 960 G C 0.330 175.255 174.900 0.040 0.000 0.849 960 G CA -0.346 44.773 45.100 0.032 0.000 0.857 960 G HN 0.151 nan 8.290 nan 0.000 0.484 961 L N 1.539 122.774 121.223 0.021 0.000 2.558 961 L HA 0.092 4.432 4.340 0.001 0.000 0.301 961 L C 0.553 177.478 176.870 0.091 0.000 1.267 961 L CA 0.525 55.379 54.840 0.024 0.000 0.854 961 L CB 0.184 42.230 42.059 -0.022 0.000 1.103 961 L HN 0.046 nan 8.230 nan 0.000 0.522 962 K N 2.477 122.950 120.400 0.120 0.000 2.349 962 K HA 0.241 4.562 4.320 0.001 0.000 0.289 962 K C -0.696 176.150 176.600 0.410 0.000 1.064 962 K CA -0.247 56.191 56.287 0.251 0.000 0.947 962 K CB 0.547 33.231 32.500 0.307 0.000 1.007 962 K HN 0.205 nan 8.250 nan 0.000 0.478 963 F N 4.060 124.117 119.950 0.179 0.000 2.427 963 F HA 0.353 4.880 4.527 0.001 0.000 0.346 963 F C -0.762 175.123 175.800 0.143 0.000 1.120 963 F CA -1.295 56.803 58.000 0.164 0.000 1.033 963 F CB 1.029 40.088 39.000 0.099 0.000 1.126 963 F HN 0.094 nan 8.300 nan 0.000 0.462 964 V N 6.214 126.186 119.914 0.097 0.000 2.638 964 V HA 0.468 4.588 4.120 0.001 0.000 0.306 964 V C -0.657 175.262 176.094 -0.292 0.000 1.052 964 V CA -1.067 61.121 62.300 -0.185 0.000 0.885 964 V CB 2.169 33.849 31.823 -0.237 0.000 0.999 964 V HN 0.617 nan 8.190 nan 0.000 0.424 965 K N 2.693 122.895 120.400 -0.330 0.000 2.316 965 K HA 0.849 5.169 4.320 0.001 0.000 0.251 965 K C -1.558 174.963 176.600 -0.132 0.000 0.934 965 K CA -0.730 55.422 56.287 -0.226 0.000 0.802 965 K CB 2.650 34.988 32.500 -0.270 0.000 1.171 965 K HN 0.467 nan 8.250 nan 0.000 0.426 966 V N 2.648 122.531 119.914 -0.052 0.000 2.588 966 V HA 0.459 4.579 4.120 0.001 0.000 0.304 966 V C -0.447 175.667 176.094 0.035 0.000 1.042 966 V CA -0.976 61.299 62.300 -0.042 0.000 0.877 966 V CB 1.744 33.520 31.823 -0.078 0.000 0.996 966 V HN 0.695 nan 8.190 nan 0.000 0.425 967 R N 2.659 123.165 120.500 0.009 0.000 2.589 967 R HA 0.851 5.192 4.340 0.001 0.000 0.293 967 R C -1.687 174.606 176.300 -0.012 0.000 0.963 967 R CA -0.443 55.688 56.100 0.052 0.000 0.905 967 R CB 2.053 32.409 30.300 0.094 0.000 1.144 967 R HN 0.557 nan 8.270 nan 0.000 0.459 968 V N 4.499 124.386 119.914 -0.045 0.000 2.531 968 V HA 0.447 4.568 4.120 0.001 0.000 0.301 968 V C -0.225 175.649 176.094 -0.366 0.000 1.034 968 V CA -0.846 61.355 62.300 -0.165 0.000 0.865 968 V CB 1.551 33.305 31.823 -0.116 0.000 0.995 968 V HN 0.725 nan 8.190 nan 0.000 0.424 969 R N 2.635 122.870 120.500 -0.442 0.000 2.486 969 R HA 0.758 5.098 4.340 0.001 0.000 0.286 969 R C -1.059 174.997 176.300 -0.407 0.000 0.999 969 R CA -0.065 55.611 56.100 -0.707 0.000 0.993 969 R CB 1.666 31.565 30.300 -0.668 0.000 1.084 969 R HN 0.769 nan 8.270 nan 0.000 0.487 970 T N 1.940 116.291 114.554 -0.338 0.000 3.105 970 T HA 0.189 4.539 4.350 0.001 0.000 0.321 970 T C -1.208 173.524 174.700 0.053 0.000 1.135 970 T CA -0.497 61.557 62.100 -0.077 0.000 1.053 970 T CB 1.884 70.781 68.868 0.049 0.000 1.133 970 T HN 0.501 nan 8.240 nan 0.000 0.463 971 T N 3.858 118.469 114.554 0.095 0.000 2.799 971 T HA 0.414 4.764 4.350 0.001 0.000 0.286 971 T C -0.212 174.581 174.700 0.155 0.000 0.973 971 T CA -0.604 61.614 62.100 0.198 0.000 1.035 971 T CB 0.550 69.572 68.868 0.257 0.000 0.932 971 T HN 0.309 nan 8.240 nan 0.000 0.469 972 K N 3.938 124.436 120.400 0.163 0.000 2.389 972 K HA 0.439 4.759 4.320 0.001 0.000 0.261 972 K C -0.292 176.346 176.600 0.063 0.000 1.014 972 K CA -0.444 55.902 56.287 0.099 0.000 0.920 972 K CB 1.301 33.850 32.500 0.082 0.000 1.149 972 K HN 0.540 nan 8.250 nan 0.000 0.444 973 I N 4.812 125.402 120.570 0.033 0.000 2.519 973 I HA 0.160 4.330 4.170 0.001 0.000 0.287 973 I C -1.685 174.456 176.117 0.040 0.000 1.047 973 I CA -2.256 59.056 61.300 0.020 0.000 1.381 973 I CB 0.584 38.587 38.000 0.005 0.000 1.417 973 I HN 0.321 nan 8.210 nan 0.000 0.540 974 P HA 0.029 nan 4.420 nan 0.000 0.267 974 P C -1.024 176.303 177.300 0.045 0.000 1.205 974 P CA 0.077 63.235 63.100 0.097 0.000 0.765 974 P CB 1.066 32.917 31.700 0.252 0.000 0.828 975 Q N 1.861 121.657 119.800 -0.007 0.000 2.486 975 Q HA 0.365 4.705 4.340 0.001 0.000 0.274 975 Q C 1.449 177.435 176.000 -0.024 0.000 1.076 975 Q CA -0.924 54.870 55.803 -0.015 0.000 0.872 975 Q CB 1.551 30.271 28.738 -0.030 0.000 1.383 975 Q HN 0.258 nan 8.270 nan 0.000 0.478 976 I N 0.313 120.871 120.570 -0.020 0.000 2.423 976 I HA -0.195 3.975 4.170 0.001 0.000 0.254 976 I C 1.490 177.588 176.117 -0.030 0.000 1.151 976 I CA 1.644 62.936 61.300 -0.013 0.000 1.421 976 I CB -0.190 37.806 38.000 -0.007 0.000 1.079 976 I HN 0.818 nan 8.210 nan 0.000 0.431 977 G N -0.555 108.211 108.800 -0.056 0.000 2.796 977 G HA2 -0.034 3.926 3.960 0.001 0.000 0.210 977 G HA3 -0.034 3.926 3.960 0.001 0.000 0.210 977 G C 0.183 175.000 174.900 -0.139 0.000 1.146 977 G CA -0.219 44.835 45.100 -0.076 0.000 0.779 977 G HN 0.239 nan 8.290 nan 0.000 0.535 978 D N 0.572 120.853 120.400 -0.198 0.000 2.515 978 D HA 0.175 4.815 4.640 0.001 0.000 0.232 978 D C 0.490 176.482 176.300 -0.514 0.000 1.157 978 D CA 0.757 54.537 54.000 -0.367 0.000 0.871 978 D CB 0.880 41.403 40.800 -0.461 0.000 1.200 978 D HN 0.102 nan 8.370 nan 0.000 0.466 979 K N 1.204 121.260 120.400 -0.573 0.000 2.098 979 K HA 0.594 4.914 4.320 0.001 0.000 0.258 979 K C -1.075 175.061 176.600 -0.774 0.000 0.973 979 K CA -0.480 55.522 56.287 -0.476 0.000 0.898 979 K CB 0.753 33.115 32.500 -0.230 0.000 1.057 979 K HN 0.370 nan 8.250 nan 0.000 0.447 980 F N 0.217 120.081 119.950 -0.143 0.000 2.685 980 F HA 0.683 5.210 4.527 0.001 0.000 0.315 980 F C -0.676 175.106 175.800 -0.031 0.000 1.126 980 F CA -0.969 56.932 58.000 -0.165 0.000 0.950 980 F CB 2.465 41.284 39.000 -0.302 0.000 1.360 980 F HN 0.625 nan 8.300 nan 0.000 0.469 981 A N 0.576 123.604 122.820 0.346 0.000 2.583 981 A HA 0.615 4.936 4.320 0.001 0.000 0.292 981 A C -0.779 177.017 177.584 0.354 0.000 1.045 981 A CA -0.164 52.079 52.037 0.343 0.000 0.672 981 A CB 1.093 20.177 19.000 0.140 0.000 1.283 981 A HN 0.910 nan 8.150 nan 0.000 0.419 982 S N 0.600 116.364 115.700 0.107 0.000 2.337 982 S HA 0.525 4.995 4.470 0.001 0.000 0.258 982 S C 0.576 175.027 174.600 -0.249 0.000 1.178 982 S CA -0.010 57.912 58.200 -0.463 0.000 1.023 982 S CB 0.282 63.125 63.200 -0.595 0.000 1.136 982 S HN 0.715 nan 8.310 nan 0.000 0.458 983 R N -0.100 120.165 120.500 -0.391 0.000 2.509 983 R HA 0.333 4.673 4.340 0.001 0.000 0.300 983 R C -0.086 175.894 176.300 -0.534 0.000 0.985 983 R CA -0.130 55.717 56.100 -0.421 0.000 1.092 983 R CB 0.106 30.141 30.300 -0.441 0.000 1.237 983 R HN 0.595 nan 8.270 nan 0.000 0.546 984 H N -0.283 118.805 119.070 0.030 0.000 2.549 984 H HA 0.224 4.780 4.556 0.001 0.000 0.253 984 H C 0.645 176.040 175.328 0.111 0.000 1.170 984 H CA -0.010 56.092 56.048 0.089 0.000 0.943 984 H CB 1.020 30.860 29.762 0.131 0.000 1.849 984 H HN 0.373 nan 8.280 nan 0.000 0.603 985 G N 2.213 111.106 108.800 0.155 0.000 2.338 985 G HA2 -0.318 3.642 3.960 0.001 0.000 0.296 985 G HA3 -0.318 3.642 3.960 0.001 0.000 0.296 985 G C 0.373 175.307 174.900 0.057 0.000 1.040 985 G CA 0.217 45.397 45.100 0.132 0.000 1.004 985 G HN 0.352 nan 8.290 nan 0.000 0.509 986 Q N 0.028 119.899 119.800 0.118 0.000 2.640 986 Q HA 0.358 4.698 4.340 0.001 0.000 0.389 986 Q C 1.097 177.184 176.000 0.146 0.000 1.012 986 Q CA -0.186 55.707 55.803 0.149 0.000 1.060 986 Q CB -0.053 28.860 28.738 0.292 0.000 1.332 986 Q HN 0.686 nan 8.270 nan 0.000 0.418 987 K N -0.430 120.001 120.400 0.052 0.000 2.339 987 K HA 0.392 4.712 4.320 0.001 0.000 0.260 987 K C 0.114 176.748 176.600 0.057 0.000 0.989 987 K CA 0.781 57.093 56.287 0.042 0.000 0.888 987 K CB 0.299 32.782 32.500 -0.029 0.000 0.983 987 K HN 0.475 nan 8.250 nan 0.000 0.515 988 G N 0.531 109.356 108.800 0.042 0.000 2.146 988 G HA2 0.119 4.079 3.960 0.001 0.000 0.261 988 G HA3 0.119 4.079 3.960 0.001 0.000 0.261 988 G C -0.819 174.093 174.900 0.020 0.000 1.745 988 G CA -0.844 44.276 45.100 0.034 0.000 0.905 988 G HN 0.555 nan 8.290 nan 0.000 0.746 989 T N 0.420 114.967 114.554 -0.011 0.000 2.928 989 T HA 0.743 5.093 4.350 0.001 0.000 0.284 989 T C 1.193 175.896 174.700 0.004 0.000 1.008 989 T CA -0.751 61.320 62.100 -0.048 0.000 1.057 989 T CB 1.359 70.186 68.868 -0.068 0.000 1.018 989 T HN 0.591 nan 8.240 nan 0.000 0.493 990 I N 1.152 121.724 120.570 0.005 0.000 3.292 990 I HA 0.262 4.433 4.170 0.001 0.000 0.279 990 I C 1.614 177.764 176.117 0.054 0.000 1.268 990 I CA 0.487 61.822 61.300 0.059 0.000 1.342 990 I CB 0.189 38.225 38.000 0.061 0.000 1.366 990 I HN 0.997 nan 8.210 nan 0.000 0.615 991 G N 3.438 112.297 108.800 0.098 0.000 2.709 991 G HA2 0.365 4.325 3.960 0.001 0.000 0.197 991 G HA3 0.365 4.325 3.960 0.001 0.000 0.197 991 G C -0.026 174.985 174.900 0.185 0.000 1.111 991 G CA 0.212 45.401 45.100 0.148 0.000 0.716 991 G HN 0.523 nan 8.290 nan 0.000 0.754 992 I N 0.911 121.547 120.570 0.111 0.000 2.836 992 I HA 0.413 4.584 4.170 0.001 0.000 0.298 992 I C -1.511 174.543 176.117 -0.105 0.000 1.600 992 I CA -0.745 60.526 61.300 -0.047 0.000 0.972 992 I CB 2.160 40.017 38.000 -0.237 0.000 1.385 992 I HN 0.139 nan 8.210 nan 0.000 0.520 993 T N 1.703 116.139 114.554 -0.196 0.000 2.823 993 T HA 0.687 5.037 4.350 0.001 0.000 0.279 993 T C -1.132 173.414 174.700 -0.256 0.000 0.998 993 T CA -0.379 61.653 62.100 -0.114 0.000 0.994 993 T CB 1.227 70.066 68.868 -0.048 0.000 0.960 993 T HN 0.428 nan 8.240 nan 0.000 0.448 994 Y N 0.414 120.696 120.300 -0.030 0.000 2.598 994 Y HA 0.697 5.248 4.550 0.001 0.000 0.340 994 Y C 0.822 176.724 175.900 0.002 0.000 1.038 994 Y CA -1.356 56.726 58.100 -0.030 0.000 1.100 994 Y CB 2.122 40.561 38.460 -0.035 0.000 1.281 994 Y HN 0.575 nan 8.280 nan 0.000 0.488 995 R N -0.120 120.501 120.500 0.202 0.000 2.782 995 R HA 0.435 4.776 4.340 0.001 0.000 0.258 995 R C 0.877 177.262 176.300 0.141 0.000 1.055 995 R CA -0.866 55.311 56.100 0.127 0.000 1.065 995 R CB 1.078 31.425 30.300 0.079 0.000 1.172 995 R HN 0.673 nan 8.270 nan 0.000 0.510 996 R N 0.840 121.408 120.500 0.113 0.000 2.154 996 R HA -0.227 4.114 4.340 0.001 0.000 0.248 996 R C 1.400 177.794 176.300 0.157 0.000 1.155 996 R CA 1.794 57.972 56.100 0.130 0.000 0.979 996 R CB -0.194 30.164 30.300 0.096 0.000 0.869 996 R HN 0.548 nan 8.270 nan 0.000 0.452 997 E N 0.387 120.661 120.200 0.124 0.000 2.110 997 E HA -0.164 4.186 4.350 0.001 0.000 0.193 997 E C 1.144 177.846 176.600 0.171 0.000 0.988 997 E CA 1.446 57.921 56.400 0.126 0.000 0.804 997 E CB -0.056 29.687 29.700 0.072 0.000 0.745 997 E HN 0.403 nan 8.360 nan 0.000 0.458 998 D N -0.682 119.818 120.400 0.167 0.000 2.355 998 D HA 0.052 4.692 4.640 0.001 0.000 0.206 998 D C 0.552 176.898 176.300 0.077 0.000 1.010 998 D CA -0.059 54.053 54.000 0.187 0.000 0.875 998 D CB -0.002 40.930 40.800 0.220 0.000 0.966 998 D HN 0.149 nan 8.370 nan 0.000 0.512 999 M N 2.422 122.103 119.600 0.134 0.000 2.250 999 M HA 0.135 4.616 4.480 0.001 0.000 0.325 999 M C -2.415 174.038 176.300 0.255 0.000 1.084 999 M CA -1.389 54.015 55.300 0.174 0.000 1.161 999 M CB 0.614 33.308 32.600 0.157 0.000 1.481 999 M HN -0.233 nan 8.290 nan 0.000 0.449 1000 P HA 0.281 nan 4.420 nan 0.000 0.285 1000 P C -1.619 175.682 177.300 0.003 0.000 1.259 1000 P CA -0.247 62.809 63.100 -0.074 0.000 0.794 1000 P CB 0.306 31.699 31.700 -0.512 0.000 0.940 1001 F N -0.650 119.384 119.950 0.141 0.000 2.593 1001 F HA 0.755 5.283 4.527 0.001 0.000 0.320 1001 F C -0.488 175.485 175.800 0.288 0.000 1.060 1001 F CA -1.420 56.699 58.000 0.199 0.000 0.940 1001 F CB 1.160 40.246 39.000 0.144 0.000 1.268 1001 F HN 0.227 nan 8.300 nan 0.000 0.475 1002 T N 1.206 116.119 114.554 0.599 0.000 2.824 1002 T HA 0.544 4.894 4.350 0.001 0.000 0.280 1002 T C 1.157 176.127 174.700 0.450 0.000 0.995 1002 T CA -0.025 62.364 62.100 0.482 0.000 1.009 1002 T CB 1.223 70.262 68.868 0.284 0.000 0.955 1002 T HN 1.199 nan 8.240 nan 0.000 0.452 1003 A N 3.983 127.061 122.820 0.430 0.000 1.984 1003 A HA -0.236 4.084 4.320 0.001 0.000 0.224 1003 A C 2.064 179.713 177.584 0.107 0.000 1.256 1003 A CA 2.509 54.666 52.037 0.202 0.000 0.679 1003 A CB -0.954 18.168 19.000 0.203 0.000 0.829 1003 A HN 0.964 nan 8.150 nan 0.000 0.483 1004 E N -2.123 118.157 120.200 0.133 0.000 2.233 1004 E HA -0.118 4.232 4.350 0.001 0.000 0.199 1004 E C 1.692 178.321 176.600 0.048 0.000 1.004 1004 E CA 1.334 57.785 56.400 0.084 0.000 0.819 1004 E CB -0.346 29.420 29.700 0.109 0.000 0.738 1004 E HN 1.011 nan 8.360 nan 0.000 0.478 1005 G N 1.061 109.904 108.800 0.071 0.000 2.424 1005 G HA2 -0.270 3.690 3.960 0.001 0.000 0.207 1005 G HA3 -0.270 3.690 3.960 0.001 0.000 0.207 1005 G C 0.619 175.581 174.900 0.103 0.000 1.061 1005 G CA -0.014 45.097 45.100 0.019 0.000 0.657 1005 G HN 0.311 nan 8.290 nan 0.000 0.508 1006 I N 0.293 120.926 120.570 0.105 0.000 3.055 1006 I HA 0.433 4.603 4.170 0.001 0.000 0.308 1006 I C 0.559 176.880 176.117 0.341 0.000 1.224 1006 I CA -0.176 61.210 61.300 0.143 0.000 1.443 1006 I CB 0.494 38.490 38.000 -0.007 0.000 1.318 1006 I HN 0.386 nan 8.210 nan 0.000 0.577 1007 V N 5.638 125.780 119.914 0.379 0.000 3.012 1007 V HA 0.566 4.686 4.120 0.001 0.000 0.307 1007 V C -2.342 173.902 176.094 0.251 0.000 1.166 1007 V CA -1.685 60.827 62.300 0.354 0.000 0.974 1007 V CB 2.616 34.573 31.823 0.224 0.000 1.040 1007 V HN 0.880 nan 8.190 nan 0.000 0.428 1008 P HA 0.263 nan 4.420 nan 0.000 0.271 1008 P C -0.588 176.690 177.300 -0.038 0.000 1.218 1008 P CA 0.157 63.135 63.100 -0.202 0.000 0.780 1008 P CB 0.970 32.366 31.700 -0.506 0.000 0.901 1009 D N 0.547 120.943 120.400 -0.006 0.000 2.355 1009 D HA 0.114 4.754 4.640 0.001 0.000 0.206 1009 D C 0.240 176.532 176.300 -0.012 0.000 1.010 1009 D CA 0.704 54.713 54.000 0.015 0.000 0.875 1009 D CB 0.523 41.339 40.800 0.026 0.000 0.966 1009 D HN 0.156 nan 8.370 nan 0.000 0.512 1010 L N 0.719 121.911 121.223 -0.052 0.000 2.422 1010 L HA 0.429 4.770 4.340 0.001 0.000 0.264 1010 L C -1.503 175.308 176.870 -0.098 0.000 0.984 1010 L CA -0.534 54.252 54.840 -0.091 0.000 0.819 1010 L CB 2.582 44.544 42.059 -0.161 0.000 1.330 1010 L HN -0.204 nan 8.230 nan 0.000 0.410 1011 I N 6.322 126.848 120.570 -0.072 0.000 2.698 1011 I HA 0.323 4.494 4.170 0.001 0.000 0.276 1011 I C -0.201 175.897 176.117 -0.033 0.000 1.166 1011 I CA -0.418 60.838 61.300 -0.074 0.000 1.101 1011 I CB 0.794 38.764 38.000 -0.050 0.000 1.305 1011 I HN 0.494 nan 8.210 nan 0.000 0.526 1012 I N 0.706 121.263 120.570 -0.022 0.000 2.474 1012 I HA 0.346 4.516 4.170 0.001 0.000 0.287 1012 I C 0.432 176.537 176.117 -0.020 0.000 1.048 1012 I CA -0.176 61.126 61.300 0.003 0.000 1.383 1012 I CB 0.886 38.918 38.000 0.052 0.000 1.412 1012 I HN 0.427 nan 8.210 nan 0.000 0.531 1013 N N 8.290 126.986 118.700 -0.006 0.000 2.447 1013 N HA 0.081 4.822 4.740 0.001 0.000 0.263 1013 N C -1.364 174.091 175.510 -0.092 0.000 1.226 1013 N CA -1.277 51.757 53.050 -0.027 0.000 0.906 1013 N CB 1.124 39.640 38.487 0.048 0.000 1.060 1013 N HN 0.543 nan 8.380 nan 0.000 0.468 1014 P HA -0.166 nan 4.420 nan 0.000 0.220 1014 P C 0.617 177.773 177.300 -0.241 0.000 1.144 1014 P CA 1.359 64.306 63.100 -0.256 0.000 0.800 1014 P CB 0.031 31.540 31.700 -0.319 0.000 0.772 1015 H N 0.128 119.166 119.070 -0.054 0.000 2.521 1015 H HA 0.131 4.687 4.556 0.001 0.000 0.286 1015 H C 1.468 176.762 175.328 -0.057 0.000 1.034 1015 H CA 1.075 57.094 56.048 -0.049 0.000 1.278 1015 H CB -0.374 29.368 29.762 -0.034 0.000 1.386 1015 H HN 0.181 nan 8.280 nan 0.000 0.567 1016 A N 0.621 123.457 122.820 0.026 0.000 2.579 1016 A HA 0.182 4.502 4.320 0.001 0.000 0.273 1016 A C 1.382 178.924 177.584 -0.070 0.000 1.363 1016 A CA -0.016 52.012 52.037 -0.014 0.000 0.953 1016 A CB -0.310 18.680 19.000 -0.016 0.000 1.034 1016 A HN 0.107 nan 8.150 nan 0.000 0.536 1017 I N -0.811 119.711 120.570 -0.080 0.000 3.534 1017 I HA 0.109 4.279 4.170 0.001 0.000 0.251 1017 I C -0.948 175.124 176.117 -0.074 0.000 1.136 1017 I CA -0.070 61.159 61.300 -0.120 0.000 1.475 1017 I CB -1.621 36.269 38.000 -0.184 0.000 1.526 1017 I HN 0.032 nan 8.210 nan 0.000 0.454 1018 P HA -0.147 nan 4.420 nan 0.000 0.216 1018 P C 1.872 179.164 177.300 -0.013 0.000 1.157 1018 P CA 2.445 65.528 63.100 -0.029 0.000 0.880 1018 P CB -0.009 31.686 31.700 -0.009 0.000 0.791 1019 S N -0.896 114.801 115.700 -0.005 0.000 2.387 1019 S HA -0.049 4.422 4.470 0.001 0.000 0.226 1019 S C 1.914 176.517 174.600 0.005 0.000 1.026 1019 S CA 0.678 58.878 58.200 0.001 0.000 0.972 1019 S CB -0.785 62.416 63.200 0.001 0.000 0.814 1019 S HN 0.111 nan 8.310 nan 0.000 0.477 1020 R N 0.643 121.141 120.500 -0.002 0.000 2.161 1020 R HA 0.301 4.642 4.340 0.001 0.000 0.213 1020 R C 0.208 176.520 176.300 0.019 0.000 1.055 1020 R CA 0.566 56.673 56.100 0.011 0.000 0.996 1020 R CB -0.454 29.845 30.300 -0.003 0.000 0.901 1020 R HN 0.356 nan 8.270 nan 0.000 0.456 1021 M N 1.756 121.354 119.600 -0.005 0.000 2.573 1021 M HA -0.135 4.345 4.480 0.001 0.000 0.184 1021 M C -0.814 175.488 176.300 0.002 0.000 0.953 1021 M CA 0.850 56.147 55.300 -0.005 0.000 0.592 1021 M CB -1.764 30.844 32.600 0.014 0.000 1.151 1021 M HN 0.158 nan 8.290 nan 0.000 0.850 1022 T N -2.932 111.603 114.554 -0.032 0.000 3.332 1022 T HA 0.509 4.859 4.350 0.001 0.000 0.385 1022 T C 0.935 175.560 174.700 -0.124 0.000 1.695 1022 T CA -0.857 61.215 62.100 -0.047 0.000 1.397 1022 T CB 0.729 69.581 68.868 -0.026 0.000 1.100 1022 T HN 0.255 nan 8.240 nan 0.000 0.669 1023 V N 1.599 121.463 119.914 -0.083 0.000 2.427 1023 V HA -0.124 3.997 4.120 0.001 0.000 0.248 1023 V C 3.011 178.987 176.094 -0.196 0.000 1.051 1023 V CA 1.940 64.166 62.300 -0.124 0.000 1.048 1023 V CB -1.232 30.554 31.823 -0.062 0.000 0.666 1023 V HN 0.880 nan 8.190 nan 0.000 0.456 1024 A N -0.717 122.004 122.820 -0.166 0.000 2.148 1024 A HA -0.322 3.998 4.320 0.001 0.000 0.222 1024 A C 2.173 179.509 177.584 -0.414 0.000 1.161 1024 A CA 2.172 54.098 52.037 -0.184 0.000 0.662 1024 A CB -0.820 18.269 19.000 0.148 0.000 0.799 1024 A HN 0.734 nan 8.150 nan 0.000 0.466 1025 H N 0.088 118.703 119.070 -0.760 0.000 2.294 1025 H HA 0.051 4.607 4.556 0.001 0.000 0.306 1025 H C 1.885 177.124 175.328 -0.148 0.000 1.065 1025 H CA 1.717 57.424 56.048 -0.569 0.000 1.343 1025 H CB -0.391 29.117 29.762 -0.422 0.000 1.396 1025 H HN 0.422 nan 8.280 nan 0.000 0.506 1026 L N 0.321 121.586 121.223 0.070 0.000 2.042 1026 L HA -0.203 4.137 4.340 0.001 0.000 0.210 1026 L C 2.898 179.851 176.870 0.137 0.000 1.076 1026 L CA 1.178 56.068 54.840 0.082 0.000 0.749 1026 L CB -0.494 41.379 42.059 -0.311 0.000 0.893 1026 L HN 0.243 nan 8.230 nan 0.000 0.432 1027 I N -0.093 120.381 120.570 -0.161 0.000 2.113 1027 I HA -0.318 3.852 4.170 0.001 0.000 0.238 1027 I C 2.727 178.653 176.117 -0.317 0.000 1.070 1027 I CA 1.600 62.669 61.300 -0.384 0.000 1.332 1027 I CB -0.336 37.126 38.000 -0.896 0.000 1.044 1027 I HN 0.358 nan 8.210 nan 0.000 0.402 1028 E N 0.354 120.415 120.200 -0.232 0.000 2.130 1028 E HA -0.336 4.014 4.350 0.001 0.000 0.196 1028 E C 2.359 178.956 176.600 -0.006 0.000 0.998 1028 E CA 1.843 58.239 56.400 -0.006 0.000 0.806 1028 E CB -0.189 29.590 29.700 0.131 0.000 0.738 1028 E HN 0.599 nan 8.360 nan 0.000 0.459 1029 C N 0.030 119.337 119.300 0.011 0.000 2.429 1029 C HA -0.119 4.341 4.460 0.001 0.000 0.277 1029 C C 2.606 177.517 174.990 -0.130 0.000 1.262 1029 C CA 0.915 59.917 59.018 -0.027 0.000 1.733 1029 C CB -1.067 26.729 27.740 0.093 0.000 2.010 1029 C HN 0.583 nan 8.230 nan 0.000 0.483 1030 L N 0.473 121.656 121.223 -0.066 0.000 2.044 1030 L HA 0.067 4.407 4.340 0.001 0.000 0.205 1030 L C 2.238 179.075 176.870 -0.056 0.000 1.075 1030 L CA 1.741 56.533 54.840 -0.081 0.000 0.747 1030 L CB -1.021 41.055 42.059 0.028 0.000 0.903 1030 L HN 0.400 nan 8.230 nan 0.000 0.435 1031 L N -1.177 120.026 121.223 -0.034 0.000 2.042 1031 L HA -0.178 4.162 4.340 0.001 0.000 0.210 1031 L C 2.354 179.231 176.870 0.012 0.000 1.076 1031 L CA 2.144 56.997 54.840 0.022 0.000 0.749 1031 L CB -0.979 41.141 42.059 0.102 0.000 0.893 1031 L HN 0.247 nan 8.230 nan 0.000 0.432 1032 S N -0.712 114.984 115.700 -0.006 0.000 2.428 1032 S HA -0.150 4.320 4.470 0.001 0.000 0.230 1032 S C 1.906 176.461 174.600 -0.075 0.000 1.014 1032 S CA 1.147 59.331 58.200 -0.025 0.000 0.957 1032 S CB -0.297 62.895 63.200 -0.014 0.000 0.784 1032 S HN 0.486 nan 8.310 nan 0.000 0.499 1033 K N 1.199 121.529 120.400 -0.116 0.000 2.283 1033 K HA -0.011 4.309 4.320 0.001 0.000 0.202 1033 K C 1.599 178.090 176.600 -0.181 0.000 1.048 1033 K CA 0.646 56.820 56.287 -0.188 0.000 0.948 1033 K CB 0.010 32.355 32.500 -0.259 0.000 0.742 1033 K HN 0.164 nan 8.250 nan 0.000 0.458 1034 V N 0.841 120.690 119.914 -0.108 0.000 2.284 1034 V HA -0.094 4.026 4.120 0.001 0.000 0.236 1034 V C 2.091 178.126 176.094 -0.098 0.000 1.044 1034 V CA 1.734 63.984 62.300 -0.083 0.000 1.019 1034 V CB -0.587 31.246 31.823 0.016 0.000 0.657 1034 V HN 0.406 nan 8.190 nan 0.000 0.465 1035 A N -0.245 122.552 122.820 -0.038 0.000 2.285 1035 A HA -0.015 4.305 4.320 0.001 0.000 0.214 1035 A C 2.037 179.586 177.584 -0.059 0.000 1.188 1035 A CA 1.795 53.815 52.037 -0.027 0.000 0.707 1035 A CB -0.593 18.404 19.000 -0.006 0.000 0.771 1035 A HN 0.628 nan 8.150 nan 0.000 0.488 1036 A N -1.288 121.473 122.820 -0.098 0.000 2.115 1036 A HA 0.413 4.733 4.320 0.001 0.000 0.211 1036 A C 1.848 179.353 177.584 -0.131 0.000 1.169 1036 A CA 0.524 52.498 52.037 -0.104 0.000 0.787 1036 A CB -0.090 18.841 19.000 -0.115 0.000 0.858 1036 A HN 0.424 nan 8.150 nan 0.000 0.474 1037 L N -0.249 120.849 121.223 -0.208 0.000 2.253 1037 L HA -0.002 4.338 4.340 0.001 0.000 0.205 1037 L C 2.604 179.354 176.870 -0.201 0.000 1.078 1037 L CA 1.386 56.054 54.840 -0.287 0.000 0.805 1037 L CB 0.044 41.720 42.059 -0.639 0.000 0.963 1037 L HN 0.503 nan 8.230 nan 0.000 0.459 1038 S N -1.200 114.416 115.700 -0.139 0.000 2.497 1038 S HA 0.213 4.683 4.470 0.001 0.000 0.218 1038 S C 1.298 175.911 174.600 0.023 0.000 1.023 1038 S CA 0.359 58.586 58.200 0.046 0.000 0.913 1038 S CB 0.600 63.906 63.200 0.176 0.000 0.800 1038 S HN 0.366 nan 8.310 nan 0.000 0.505 1039 G N 2.253 111.046 108.800 -0.012 0.000 2.473 1039 G HA2 -0.162 3.799 3.960 0.001 0.000 0.289 1039 G HA3 -0.162 3.799 3.960 0.001 0.000 0.289 1039 G C -0.612 174.290 174.900 0.004 0.000 1.084 1039 G CA -0.152 44.942 45.100 -0.010 0.000 1.215 1039 G HN 0.486 nan 8.290 nan 0.000 0.527 1040 N N 0.938 119.642 118.700 0.007 0.000 2.707 1040 N HA 0.140 4.880 4.740 0.001 0.000 0.249 1040 N C 0.341 175.856 175.510 0.009 0.000 1.299 1040 N CA -0.418 52.642 53.050 0.016 0.000 0.769 1040 N CB 1.167 39.676 38.487 0.036 0.000 1.236 1040 N HN 0.679 nan 8.380 nan 0.000 0.524 1041 E N 1.370 121.566 120.200 -0.007 0.000 0.922 1041 E HA -0.185 4.165 4.350 0.001 0.000 0.174 1041 E C 0.520 177.118 176.600 -0.005 0.000 0.642 1041 E CA 0.070 56.459 56.400 -0.017 0.000 0.358 1041 E CB -0.653 29.031 29.700 -0.027 0.000 1.058 1041 E HN 0.595 nan 8.360 nan 0.000 0.232 1042 G N 3.328 112.135 108.800 0.012 0.000 2.268 1042 G HA2 -0.225 3.735 3.960 0.001 0.000 0.257 1042 G HA3 -0.225 3.735 3.960 0.001 0.000 0.257 1042 G C -0.170 174.754 174.900 0.040 0.000 0.827 1042 G CA 0.364 45.490 45.100 0.044 0.000 0.960 1042 G HN 0.583 nan 8.290 nan 0.000 0.353 1043 D N 1.505 121.934 120.400 0.048 0.000 2.264 1043 D HA 0.529 5.169 4.640 0.001 0.000 0.250 1043 D C 0.854 177.120 176.300 -0.056 0.000 1.113 1043 D CA 0.292 54.289 54.000 -0.004 0.000 0.871 1043 D CB 1.177 41.984 40.800 0.011 0.000 1.167 1043 D HN 0.312 nan 8.370 nan 0.000 0.447 1044 A N 2.540 125.211 122.820 -0.248 0.000 2.211 1044 A HA 0.217 4.537 4.320 0.001 0.000 0.208 1044 A C 0.850 177.942 177.584 -0.819 0.000 1.250 1044 A CA -0.221 51.307 52.037 -0.847 0.000 0.935 1044 A CB -0.140 18.600 19.000 -0.433 0.000 0.982 1044 A HN 0.518 nan 8.150 nan 0.000 0.490 1045 S N 2.142 117.631 115.700 -0.351 0.000 2.890 1045 S HA -0.032 4.439 4.470 0.001 0.000 0.349 1045 S C -1.374 173.114 174.600 -0.188 0.000 1.211 1045 S CA 0.372 58.468 58.200 -0.174 0.000 0.988 1045 S CB 0.016 63.231 63.200 0.025 0.000 0.666 1045 S HN 0.357 nan 8.310 nan 0.000 0.472 1046 P HA -0.196 nan 4.420 nan 0.000 0.238 1046 P C -0.046 176.996 177.300 -0.430 0.000 0.911 1046 P CA 1.428 64.283 63.100 -0.408 0.000 1.085 1046 P CB 0.010 31.564 31.700 -0.244 0.000 0.698 1047 F N -1.357 118.603 119.950 0.016 0.000 2.410 1047 F HA 0.563 5.091 4.527 0.001 0.000 0.349 1047 F C 1.030 176.886 175.800 0.092 0.000 1.117 1047 F CA -0.222 57.793 58.000 0.024 0.000 1.104 1047 F CB 0.395 39.370 39.000 -0.043 0.000 1.122 1047 F HN 0.132 nan 8.300 nan 0.000 0.483 1048 T N -2.234 112.484 114.554 0.275 0.000 2.637 1048 T HA 0.289 4.639 4.350 0.001 0.000 0.303 1048 T C -0.831 173.993 174.700 0.206 0.000 1.288 1048 T CA -0.951 61.295 62.100 0.245 0.000 1.040 1048 T CB 1.409 70.415 68.868 0.229 0.000 1.644 1048 T HN 0.417 nan 8.240 nan 0.000 0.480 1049 D N 0.754 121.261 120.400 0.178 0.000 3.134 1049 D HA 0.397 5.038 4.640 0.001 0.000 0.248 1049 D C -0.657 175.740 176.300 0.161 0.000 1.273 1049 D CA 0.051 54.144 54.000 0.155 0.000 0.904 1049 D CB -0.153 40.722 40.800 0.124 0.000 1.089 1049 D HN 0.245 nan 8.370 nan 0.000 0.478 1050 I N 0.152 120.843 120.570 0.202 0.000 2.750 1050 I HA 0.302 4.472 4.170 0.001 0.000 0.308 1050 I C 0.626 176.866 176.117 0.206 0.000 1.016 1050 I CA -0.555 60.871 61.300 0.210 0.000 1.098 1050 I CB 2.092 40.262 38.000 0.283 0.000 1.279 1050 I HN -0.106 nan 8.210 nan 0.000 0.454 1051 T N 0.000 114.647 114.554 0.154 0.000 2.868 1051 T HA 0.445 4.796 4.350 0.001 0.000 0.306 1051 T C 0.538 175.279 174.700 0.069 0.000 1.224 1051 T CA -0.713 61.457 62.100 0.116 0.000 1.012 1051 T CB 1.163 70.093 68.868 0.103 0.000 1.221 1051 T HN 0.128 nan 8.240 nan 0.000 0.499 1052 V N 1.059 120.994 119.914 0.035 0.000 2.295 1052 V HA -0.113 4.008 4.120 0.001 0.000 0.246 1052 V C 2.780 178.902 176.094 0.046 0.000 1.049 1052 V CA 1.694 64.004 62.300 0.017 0.000 1.024 1052 V CB -0.766 31.061 31.823 0.007 0.000 0.648 1052 V HN 0.894 nan 8.190 nan 0.000 0.447 1053 E N 0.694 120.925 120.200 0.052 0.000 2.130 1053 E HA -0.198 4.152 4.350 0.001 0.000 0.196 1053 E C 2.253 178.887 176.600 0.057 0.000 0.998 1053 E CA 1.633 58.065 56.400 0.053 0.000 0.806 1053 E CB -0.653 29.078 29.700 0.053 0.000 0.738 1053 E HN 0.643 nan 8.360 nan 0.000 0.459 1054 G N 0.955 109.794 108.800 0.066 0.000 2.424 1054 G HA2 -0.160 3.801 3.960 0.001 0.000 0.214 1054 G HA3 -0.160 3.801 3.960 0.001 0.000 0.214 1054 G C 1.786 176.729 174.900 0.071 0.000 1.202 1054 G CA 0.444 45.587 45.100 0.070 0.000 0.793 1054 G HN 0.174 nan 8.290 nan 0.000 0.534 1055 I N 1.194 121.808 120.570 0.073 0.000 2.127 1055 I HA -0.185 3.985 4.170 0.001 0.000 0.241 1055 I C 2.816 178.980 176.117 0.077 0.000 1.075 1055 I CA 1.227 62.572 61.300 0.075 0.000 1.334 1055 I CB -0.338 37.698 38.000 0.059 0.000 1.040 1055 I HN 0.083 nan 8.210 nan 0.000 0.405 1056 S N 0.329 116.072 115.700 0.072 0.000 2.520 1056 S HA -0.179 4.292 4.470 0.001 0.000 0.249 1056 S C 1.721 176.365 174.600 0.074 0.000 0.983 1056 S CA 1.186 59.434 58.200 0.079 0.000 0.958 1056 S CB -0.246 62.999 63.200 0.076 0.000 0.750 1056 S HN 0.425 nan 8.310 nan 0.000 0.527 1057 K N 0.244 120.684 120.400 0.067 0.000 2.244 1057 K HA 0.266 4.587 4.320 0.001 0.000 0.200 1057 K C 1.710 178.344 176.600 0.056 0.000 1.052 1057 K CA 0.287 56.606 56.287 0.054 0.000 0.980 1057 K CB -0.001 32.525 32.500 0.044 0.000 0.838 1057 K HN 0.262 nan 8.250 nan 0.000 0.481 1058 L N 0.644 121.913 121.223 0.076 0.000 2.109 1058 L HA -0.058 4.282 4.340 0.001 0.000 0.207 1058 L C 2.054 179.030 176.870 0.177 0.000 1.086 1058 L CA 0.554 55.451 54.840 0.094 0.000 0.760 1058 L CB -0.285 41.845 42.059 0.118 0.000 0.910 1058 L HN 0.111 nan 8.230 nan 0.000 0.437 1059 L N -0.058 121.272 121.223 0.178 0.000 2.610 1059 L HA -0.036 4.304 4.340 0.001 0.000 0.232 1059 L C 2.229 179.218 176.870 0.199 0.000 1.149 1059 L CA 0.960 55.934 54.840 0.223 0.000 0.872 1059 L CB -0.369 41.772 42.059 0.137 0.000 0.992 1059 L HN 0.063 nan 8.230 nan 0.000 0.447 1060 R N -0.637 119.936 120.500 0.122 0.000 2.282 1060 R HA 0.109 4.449 4.340 0.001 0.000 0.195 1060 R C 1.764 178.081 176.300 0.029 0.000 0.909 1060 R CA 0.757 56.904 56.100 0.078 0.000 1.039 1060 R CB -0.016 30.315 30.300 0.052 0.000 1.015 1060 R HN 0.414 nan 8.270 nan 0.000 0.513 1061 E N -0.875 119.319 120.200 -0.009 0.000 2.285 1061 E HA -0.081 4.270 4.350 0.001 0.000 0.194 1061 E C 0.752 177.237 176.600 -0.191 0.000 0.997 1061 E CA 0.575 56.903 56.400 -0.119 0.000 0.845 1061 E CB 0.061 29.647 29.700 -0.191 0.000 0.782 1061 E HN 0.468 nan 8.360 nan 0.000 0.491 1062 H N -0.873 118.211 119.070 0.023 0.000 2.539 1062 H HA 0.116 4.672 4.556 0.001 0.000 0.267 1062 H C 1.491 176.743 175.328 -0.127 0.000 0.982 1062 H CA 0.932 56.984 56.048 0.006 0.000 1.146 1062 H CB 1.124 30.960 29.762 0.124 0.000 1.382 1062 H HN 0.373 nan 8.280 nan 0.000 0.577 1063 G N 0.271 109.057 108.800 -0.024 0.000 2.241 1063 G HA2 -0.276 3.684 3.960 0.001 0.000 0.244 1063 G HA3 -0.276 3.684 3.960 0.001 0.000 0.244 1063 G C -0.055 174.755 174.900 -0.150 0.000 0.998 1063 G CA -0.001 45.016 45.100 -0.139 0.000 0.621 1063 G HN 0.378 nan 8.290 nan 0.000 0.519 1064 Y N 0.811 121.139 120.300 0.046 0.000 2.298 1064 Y HA 0.546 5.096 4.550 0.001 0.000 0.329 1064 Y C 1.007 176.930 175.900 0.037 0.000 1.293 1064 Y CA -0.236 57.879 58.100 0.025 0.000 1.388 1064 Y CB 0.435 38.892 38.460 -0.005 0.000 1.309 1064 Y HN 0.284 nan 8.280 nan 0.000 0.544 1065 Q N 0.993 120.933 119.800 0.232 0.000 2.394 1065 Q HA -0.110 4.231 4.340 0.001 0.000 0.347 1065 Q C 0.958 177.052 176.000 0.157 0.000 1.144 1065 Q CA 0.760 56.660 55.803 0.161 0.000 1.050 1065 Q CB 0.698 29.551 28.738 0.191 0.000 1.188 1065 Q HN 0.752 nan 8.270 nan 0.000 0.406 1066 S N 3.284 119.051 115.700 0.113 0.000 2.515 1066 S HA -0.004 4.467 4.470 0.001 0.000 0.231 1066 S C 0.776 175.458 174.600 0.137 0.000 0.987 1066 S CA 0.538 58.801 58.200 0.106 0.000 0.936 1066 S CB 0.135 63.375 63.200 0.066 0.000 0.766 1066 S HN 0.653 nan 8.310 nan 0.000 0.528 1067 R N 0.346 120.965 120.500 0.197 0.000 2.437 1067 R HA 0.408 4.748 4.340 0.001 0.000 0.257 1067 R C 1.647 178.240 176.300 0.489 0.000 0.927 1067 R CA 0.471 56.773 56.100 0.336 0.000 1.078 1067 R CB -0.229 30.265 30.300 0.323 0.000 1.161 1067 R HN 0.550 nan 8.270 nan 0.000 0.529 1068 G N 0.835 109.810 108.800 0.292 0.000 2.490 1068 G HA2 -0.297 3.664 3.960 0.001 0.000 0.214 1068 G HA3 -0.297 3.664 3.960 0.001 0.000 0.214 1068 G C 0.263 175.220 174.900 0.095 0.000 1.151 1068 G CA -0.201 44.926 45.100 0.046 0.000 0.684 1068 G HN 0.147 nan 8.290 nan 0.000 0.518 1069 F N 2.162 122.156 119.950 0.074 0.000 2.689 1069 F HA 0.428 4.955 4.527 0.001 0.000 0.312 1069 F C 1.256 177.084 175.800 0.047 0.000 1.119 1069 F CA 1.075 59.129 58.000 0.089 0.000 1.329 1069 F CB 0.131 39.193 39.000 0.104 0.000 1.024 1069 F HN 0.430 nan 8.300 nan 0.000 0.643 1070 E N -1.171 119.182 120.200 0.255 0.000 2.401 1070 E HA 0.434 4.784 4.350 0.001 0.000 0.280 1070 E C -1.673 175.011 176.600 0.140 0.000 1.039 1070 E CA -0.943 55.560 56.400 0.171 0.000 0.814 1070 E CB 2.262 32.029 29.700 0.112 0.000 1.275 1070 E HN 0.194 nan 8.360 nan 0.000 0.448 1071 V N 1.634 121.608 119.914 0.101 0.000 2.834 1071 V HA 0.438 4.559 4.120 0.001 0.000 0.301 1071 V C 0.200 176.297 176.094 0.005 0.000 1.066 1071 V CA 0.057 62.360 62.300 0.005 0.000 1.052 1071 V CB 0.682 32.482 31.823 -0.039 0.000 1.021 1071 V HN 0.581 nan 8.190 nan 0.000 0.480 1072 M N 2.691 122.197 119.600 -0.158 0.000 2.531 1072 M HA 0.504 4.985 4.480 0.001 0.000 0.286 1072 M C -1.951 174.095 176.300 -0.425 0.000 1.232 1072 M CA -0.526 54.688 55.300 -0.143 0.000 0.877 1072 M CB 2.883 35.427 32.600 -0.093 0.000 1.726 1072 M HN 0.554 nan 8.290 nan 0.000 0.463 1073 Y N 0.773 120.763 120.300 -0.517 0.000 2.341 1073 Y HA 0.278 4.829 4.550 0.001 0.000 0.337 1073 Y C 0.540 176.052 175.900 -0.646 0.000 1.014 1073 Y CA -1.090 56.650 58.100 -0.601 0.000 1.111 1073 Y CB 0.647 38.707 38.460 -0.667 0.000 1.194 1073 Y HN 0.542 nan 8.280 nan 0.000 0.462 1074 N N 2.437 121.034 118.700 -0.172 0.000 2.396 1074 N HA -0.071 4.669 4.740 0.001 0.000 0.287 1074 N C 1.326 176.855 175.510 0.032 0.000 1.316 1074 N CA 0.794 53.818 53.050 -0.042 0.000 0.972 1074 N CB 0.767 39.250 38.487 -0.007 0.000 1.341 1074 N HN 1.086 nan 8.380 nan 0.000 0.487 1075 G N 3.296 112.148 108.800 0.086 0.000 2.717 1075 G HA2 -0.320 3.640 3.960 0.001 0.000 0.224 1075 G HA3 -0.320 3.640 3.960 0.001 0.000 0.224 1075 G C 1.057 176.165 174.900 0.346 0.000 1.088 1075 G CA 1.144 46.401 45.100 0.263 0.000 0.734 1075 G HN 0.698 nan 8.290 nan 0.000 0.616 1076 H N 0.239 119.342 119.070 0.055 0.000 2.284 1076 H HA 0.014 4.571 4.556 0.001 0.000 0.304 1076 H C 2.997 178.366 175.328 0.068 0.000 1.069 1076 H CA 1.941 58.011 56.048 0.036 0.000 1.327 1076 H CB -0.775 28.980 29.762 -0.011 0.000 1.387 1076 H HN 0.483 nan 8.280 nan 0.000 0.498 1077 T N -4.008 110.674 114.554 0.215 0.000 3.033 1077 T HA 0.307 4.657 4.350 0.001 0.000 0.248 1077 T C 1.866 176.672 174.700 0.177 0.000 1.040 1077 T CA 0.777 62.970 62.100 0.156 0.000 1.133 1077 T CB 0.146 69.085 68.868 0.117 0.000 0.895 1077 T HN 0.539 nan 8.240 nan 0.000 0.465 1078 G N 1.573 110.501 108.800 0.214 0.000 2.213 1078 G HA2 -0.240 3.721 3.960 0.001 0.000 0.226 1078 G HA3 -0.240 3.721 3.960 0.001 0.000 0.226 1078 G C 0.063 175.152 174.900 0.316 0.000 0.992 1078 G CA 0.039 45.326 45.100 0.311 0.000 0.632 1078 G HN 0.781 nan 8.290 nan 0.000 0.511 1079 K N 1.870 122.384 120.400 0.189 0.000 2.447 1079 K HA 0.329 4.649 4.320 0.001 0.000 0.281 1079 K C 0.961 177.588 176.600 0.045 0.000 1.031 1079 K CA -0.248 56.120 56.287 0.135 0.000 1.019 1079 K CB 0.227 32.771 32.500 0.073 0.000 0.918 1079 K HN 0.325 nan 8.250 nan 0.000 0.476 1080 K N 2.875 123.244 120.400 -0.051 0.000 2.457 1080 K HA -0.073 4.247 4.320 0.001 0.000 0.269 1080 K C -0.033 176.413 176.600 -0.256 0.000 0.969 1080 K CA 0.283 56.325 56.287 -0.408 0.000 0.921 1080 K CB 0.273 32.496 32.500 -0.461 0.000 0.940 1080 K HN 0.519 nan 8.250 nan 0.000 0.517 1081 L N 3.283 124.321 121.223 -0.308 0.000 2.261 1081 L HA 0.085 4.425 4.340 0.001 0.000 0.289 1081 L C 1.264 178.042 176.870 -0.152 0.000 1.059 1081 L CA -0.508 54.215 54.840 -0.196 0.000 0.816 1081 L CB 1.015 42.947 42.059 -0.212 0.000 1.191 1081 L HN 0.732 nan 8.230 nan 0.000 0.431 1082 M N 3.324 122.863 119.600 -0.103 0.000 2.413 1082 M HA -0.145 4.336 4.480 0.001 0.000 0.258 1082 M C 0.624 176.886 176.300 -0.064 0.000 1.081 1082 M CA 1.215 56.471 55.300 -0.074 0.000 1.047 1082 M CB -0.328 32.243 32.600 -0.048 0.000 1.390 1082 M HN 0.608 nan 8.290 nan 0.000 0.438 1083 A N -0.992 121.787 122.820 -0.068 0.000 2.344 1083 A HA 0.737 5.057 4.320 0.001 0.000 0.307 1083 A C -0.701 176.866 177.584 -0.028 0.000 1.151 1083 A CA -0.783 51.232 52.037 -0.036 0.000 0.842 1083 A CB 0.852 19.836 19.000 -0.026 0.000 1.350 1083 A HN 0.350 nan 8.150 nan 0.000 0.459 1084 Q N -0.690 119.142 119.800 0.053 0.000 2.301 1084 Q HA 0.723 5.063 4.340 0.001 0.000 0.267 1084 Q C -1.374 174.731 176.000 0.175 0.000 1.035 1084 Q CA -0.203 55.676 55.803 0.127 0.000 0.856 1084 Q CB 1.805 30.670 28.738 0.211 0.000 1.337 1084 Q HN 0.556 nan 8.270 nan 0.000 0.450 1085 I N 0.506 121.149 120.570 0.122 0.000 2.646 1085 I HA 0.293 4.464 4.170 0.001 0.000 0.299 1085 I C -0.568 175.516 176.117 -0.055 0.000 1.036 1085 I CA -0.644 60.663 61.300 0.011 0.000 1.074 1085 I CB 1.063 39.026 38.000 -0.063 0.000 1.258 1085 I HN 0.546 nan 8.210 nan 0.000 0.430 1086 F N 5.814 125.513 119.950 -0.419 0.000 2.651 1086 F HA 0.244 4.771 4.527 0.001 0.000 0.369 1086 F C 0.021 175.747 175.800 -0.123 0.000 1.187 1086 F CA -0.396 57.300 58.000 -0.506 0.000 1.335 1086 F CB -0.544 38.109 39.000 -0.578 0.000 1.707 1086 F HN 0.287 nan 8.300 nan 0.000 0.637 1087 F N 2.978 122.727 119.950 -0.336 0.000 2.464 1087 F HA 0.499 5.027 4.527 0.001 0.000 0.353 1087 F C 0.452 176.036 175.800 -0.358 0.000 1.191 1087 F CA -0.233 57.604 58.000 -0.272 0.000 1.147 1087 F CB -0.341 38.559 39.000 -0.166 0.000 1.294 1087 F HN 0.362 nan 8.300 nan 0.000 0.583 1088 G N 6.281 115.101 108.800 0.033 0.000 2.720 1088 G HA2 0.340 4.301 3.960 0.001 0.000 0.295 1088 G HA3 0.340 4.301 3.960 0.001 0.000 0.295 1088 G C -3.340 171.537 174.900 -0.038 0.000 1.437 1088 G CA -1.291 43.710 45.100 -0.165 0.000 0.886 1088 G HN 0.246 nan 8.290 nan 0.000 0.509 1089 P HA 0.307 nan 4.420 nan 0.000 0.268 1089 P C -0.458 176.863 177.300 0.035 0.000 1.205 1089 P CA 0.366 63.480 63.100 0.024 0.000 0.771 1089 P CB 1.228 32.922 31.700 -0.011 0.000 0.858 1090 T N 1.966 116.582 114.554 0.105 0.000 2.916 1090 T HA 0.218 4.568 4.350 0.001 0.000 0.305 1090 T C -1.182 173.621 174.700 0.172 0.000 1.119 1090 T CA -0.241 61.906 62.100 0.079 0.000 1.008 1090 T CB 0.835 69.713 68.868 0.016 0.000 1.129 1090 T HN 0.218 nan 8.240 nan 0.000 0.480 1091 Y N 2.219 122.481 120.300 -0.062 0.000 2.359 1091 Y HA 0.513 5.063 4.550 0.001 0.000 0.334 1091 Y C -1.231 174.620 175.900 -0.082 0.000 1.058 1091 Y CA -1.141 56.951 58.100 -0.013 0.000 1.244 1091 Y CB 0.215 38.672 38.460 -0.006 0.000 1.187 1091 Y HN 0.603 nan 8.280 nan 0.000 0.510 1092 Y N 4.314 124.528 120.300 -0.144 0.000 2.391 1092 Y HA 0.360 4.911 4.550 0.001 0.000 0.341 1092 Y C -0.329 175.494 175.900 -0.128 0.000 0.965 1092 Y CA -0.878 57.164 58.100 -0.097 0.000 1.067 1092 Y CB 1.674 40.174 38.460 0.066 0.000 1.199 1092 Y HN 0.506 nan 8.280 nan 0.000 0.450 1093 Q N 3.082 122.923 119.800 0.068 0.000 2.222 1093 Q HA 0.433 4.774 4.340 0.001 0.000 0.252 1093 Q C -0.645 175.473 176.000 0.197 0.000 0.926 1093 Q CA -1.016 54.835 55.803 0.081 0.000 0.899 1093 Q CB 1.930 30.677 28.738 0.015 0.000 1.250 1093 Q HN 0.504 nan 8.270 nan 0.000 0.441 1094 R N 2.736 123.378 120.500 0.237 0.000 2.272 1094 R HA 0.279 4.619 4.340 0.001 0.000 0.323 1094 R C -1.354 175.003 176.300 0.095 0.000 1.002 1094 R CA -0.569 55.706 56.100 0.291 0.000 0.900 1094 R CB 0.182 30.704 30.300 0.370 0.000 1.151 1094 R HN 0.382 nan 8.270 nan 0.000 0.507 1095 L N 3.681 124.890 121.223 -0.024 0.000 2.436 1095 L HA 0.408 4.749 4.340 0.001 0.000 0.265 1095 L C 1.147 177.916 176.870 -0.169 0.000 1.168 1095 L CA -0.394 54.364 54.840 -0.137 0.000 0.815 1095 L CB 0.183 42.086 42.059 -0.260 0.000 1.109 1095 L HN 0.624 nan 8.230 nan 0.000 0.462 1096 R N -0.108 120.301 120.500 -0.151 0.000 3.064 1096 R HA 0.200 4.540 4.340 0.001 0.000 0.280 1096 R C -0.662 175.652 176.300 0.023 0.000 1.182 1096 R CA -0.447 55.615 56.100 -0.064 0.000 1.155 1096 R CB -0.226 30.065 30.300 -0.015 0.000 1.112 1096 R HN 0.695 nan 8.270 nan 0.000 0.564 1097 H N -2.121 116.840 119.070 -0.180 0.000 3.213 1097 H HA -0.039 4.517 4.556 0.001 0.000 0.288 1097 H C -1.241 173.973 175.328 -0.190 0.000 1.327 1097 H CA 0.262 56.210 56.048 -0.167 0.000 1.238 1097 H CB -2.077 27.592 29.762 -0.155 0.000 1.296 1097 H HN 0.522 nan 8.280 nan 0.000 0.415 1098 M N -0.574 118.969 119.600 -0.095 0.000 2.249 1098 M HA 0.290 4.770 4.480 0.001 0.000 0.351 1098 M C 1.805 178.039 176.300 -0.110 0.000 1.180 1098 M CA -0.073 55.144 55.300 -0.140 0.000 1.127 1098 M CB 1.301 33.812 32.600 -0.148 0.000 1.546 1098 M HN 0.140 nan 8.290 nan 0.000 0.461 1099 V N 2.333 122.183 119.914 -0.107 0.000 2.241 1099 V HA -0.387 3.733 4.120 0.001 0.000 0.256 1099 V C 1.374 177.433 176.094 -0.058 0.000 1.060 1099 V CA 2.839 65.093 62.300 -0.076 0.000 1.065 1099 V CB -0.266 31.517 31.823 -0.067 0.000 0.685 1099 V HN 0.999 nan 8.190 nan 0.000 0.467 1100 D N -0.128 120.243 120.400 -0.048 0.000 2.421 1100 D HA -0.120 4.521 4.640 0.001 0.000 0.223 1100 D C 1.284 177.567 176.300 -0.028 0.000 0.979 1100 D CA 1.362 55.345 54.000 -0.028 0.000 0.959 1100 D CB -0.377 40.414 40.800 -0.015 0.000 0.874 1100 D HN 0.658 nan 8.370 nan 0.000 0.513 1101 D N -0.981 119.386 120.400 -0.054 0.000 2.402 1101 D HA 0.112 4.752 4.640 0.001 0.000 0.216 1101 D C 1.313 177.570 176.300 -0.071 0.000 1.128 1101 D CA 0.086 54.049 54.000 -0.062 0.000 0.833 1101 D CB 0.597 41.336 40.800 -0.101 0.000 0.971 1101 D HN 0.220 nan 8.370 nan 0.000 0.503 1102 K N -0.442 119.925 120.400 -0.054 0.000 2.550 1102 K HA 0.140 4.460 4.320 0.001 0.000 0.205 1102 K C 0.216 176.821 176.600 0.007 0.000 1.429 1102 K CA -0.456 55.804 56.287 -0.045 0.000 0.997 1102 K CB 1.333 33.792 32.500 -0.068 0.000 1.328 1102 K HN -0.116 nan 8.250 nan 0.000 0.546 1103 I N 3.175 123.752 120.570 0.011 0.000 2.821 1103 I HA -0.122 4.048 4.170 0.001 0.000 0.294 1103 I C -0.119 176.062 176.117 0.106 0.000 1.210 1103 I CA 0.895 62.218 61.300 0.037 0.000 1.430 1103 I CB -0.499 37.511 38.000 0.018 0.000 1.356 1103 I HN 0.155 nan 8.210 nan 0.000 0.563 1104 H N 5.697 124.754 119.070 -0.022 0.000 2.966 1104 H HA 0.815 5.371 4.556 0.001 0.000 0.347 1104 H C -1.424 173.895 175.328 -0.015 0.000 1.048 1104 H CA -0.780 55.257 56.048 -0.018 0.000 1.295 1104 H CB 1.441 31.191 29.762 -0.020 0.000 1.744 1104 H HN 0.638 nan 8.280 nan 0.000 0.513 1105 A N 5.151 127.839 122.820 -0.220 0.000 2.449 1105 A HA 0.766 5.087 4.320 0.001 0.000 0.302 1105 A C -1.194 176.223 177.584 -0.279 0.000 1.048 1105 A CA -0.865 51.002 52.037 -0.284 0.000 0.708 1105 A CB 1.527 20.463 19.000 -0.108 0.000 1.274 1105 A HN 0.752 nan 8.150 nan 0.000 0.410 1106 R N 1.428 121.770 120.500 -0.262 0.000 2.522 1106 R HA 0.647 4.987 4.340 0.001 0.000 0.283 1106 R C -1.494 174.748 176.300 -0.097 0.000 1.074 1106 R CA -0.182 55.833 56.100 -0.142 0.000 0.925 1106 R CB 1.787 32.009 30.300 -0.129 0.000 1.205 1106 R HN 1.193 nan 8.270 nan 0.000 0.436 1107 A N 5.503 128.287 122.820 -0.061 0.000 2.802 1107 A HA 0.435 4.755 4.320 0.001 0.000 0.344 1107 A C -0.271 177.289 177.584 -0.039 0.000 1.215 1107 A CA -0.472 51.535 52.037 -0.051 0.000 0.821 1107 A CB 0.344 19.319 19.000 -0.043 0.000 1.099 1107 A HN 0.979 nan 8.150 nan 0.000 0.479 1108 R N 0.052 120.528 120.500 -0.040 0.000 1.403 1108 R HA -0.009 4.331 4.340 0.001 0.000 0.455 1108 R C 0.106 176.391 176.300 -0.025 0.000 1.336 1108 R CA 1.167 57.248 56.100 -0.033 0.000 1.354 1108 R CB -0.918 29.363 30.300 -0.032 0.000 3.536 1108 R HN 2.237 nan 8.270 nan 0.000 0.519 1109 G N 2.347 111.133 108.800 -0.023 0.000 2.512 1109 G HA2 0.254 4.214 3.960 0.001 0.000 0.181 1109 G HA3 0.254 4.214 3.960 0.001 0.000 0.181 1109 G C -2.918 171.970 174.900 -0.021 0.000 1.173 1109 G CA -0.324 44.765 45.100 -0.018 0.000 0.988 1109 G HN 0.594 nan 8.290 nan 0.000 0.485 1110 P HA 0.284 nan 4.420 nan 0.000 0.261 1110 P C -0.751 176.534 177.300 -0.025 0.000 1.183 1110 P CA 0.552 63.641 63.100 -0.017 0.000 0.761 1110 P CB 0.502 32.199 31.700 -0.006 0.000 0.785 1111 M N 2.090 121.664 119.600 -0.043 0.000 2.311 1111 M HA 0.285 4.765 4.480 0.001 0.000 0.325 1111 M C 0.561 176.820 176.300 -0.068 0.000 1.061 1111 M CA -0.846 54.417 55.300 -0.061 0.000 0.957 1111 M CB 1.739 34.284 32.600 -0.092 0.000 1.646 1111 M HN 0.463 nan 8.290 nan 0.000 0.434 1112 Q N 1.199 120.964 119.800 -0.058 0.000 2.624 1112 Q HA 0.090 4.431 4.340 0.001 0.000 0.256 1112 Q C 0.468 176.420 176.000 -0.080 0.000 1.119 1112 Q CA 0.099 55.872 55.803 -0.050 0.000 0.995 1112 Q CB 0.987 29.706 28.738 -0.031 0.000 1.318 1112 Q HN 0.640 nan 8.270 nan 0.000 0.534 1113 V N 1.217 121.097 119.914 -0.056 0.000 2.436 1113 V HA -0.113 4.007 4.120 0.001 0.000 0.240 1113 V C 1.914 177.980 176.094 -0.045 0.000 1.040 1113 V CA 0.941 63.201 62.300 -0.067 0.000 1.052 1113 V CB -0.863 30.940 31.823 -0.033 0.000 0.707 1113 V HN 0.780 nan 8.190 nan 0.000 0.469 1114 L N 1.085 122.310 121.223 0.003 0.000 2.131 1114 L HA -0.072 4.268 4.340 0.001 0.000 0.210 1114 L C 2.102 179.044 176.870 0.119 0.000 1.092 1114 L CA 2.623 57.498 54.840 0.059 0.000 0.759 1114 L CB -0.886 41.200 42.059 0.044 0.000 0.903 1114 L HN 0.438 nan 8.230 nan 0.000 0.435 1115 T N -1.837 112.746 114.554 0.048 0.000 3.042 1115 T HA 0.159 4.509 4.350 0.001 0.000 0.245 1115 T C 0.861 175.530 174.700 -0.051 0.000 1.029 1115 T CA 0.261 62.406 62.100 0.076 0.000 1.120 1115 T CB 0.188 69.077 68.868 0.035 0.000 0.917 1115 T HN 0.283 nan 8.240 nan 0.000 0.467 1116 R N 0.489 120.873 120.500 -0.194 0.000 3.963 1116 R HA -0.124 4.217 4.340 0.001 0.000 0.394 1116 R C -0.280 175.926 176.300 -0.156 0.000 1.131 1116 R CA 0.477 56.391 56.100 -0.309 0.000 1.059 1116 R CB -1.788 28.093 30.300 -0.698 0.000 1.614 1116 R HN 0.496 nan 8.270 nan 0.000 0.546 1117 Q N 0.530 120.284 119.800 -0.076 0.000 2.205 1117 Q HA 0.363 4.703 4.340 0.001 0.000 0.249 1117 Q C -2.337 173.642 176.000 -0.035 0.000 0.948 1117 Q CA -2.087 53.694 55.803 -0.037 0.000 0.895 1117 Q CB 1.091 29.826 28.738 -0.005 0.000 1.249 1117 Q HN -0.146 nan 8.270 nan 0.000 0.458 1118 P HA -0.117 nan 4.420 nan 0.000 0.267 1118 P C -0.808 176.491 177.300 -0.003 0.000 1.201 1118 P CA 0.093 63.185 63.100 -0.013 0.000 0.775 1118 P CB 0.355 32.052 31.700 -0.004 0.000 0.854 1119 V N -0.481 119.435 119.914 0.002 0.000 3.036 1119 V HA 0.373 4.494 4.120 0.001 0.000 0.308 1119 V C 0.263 176.370 176.094 0.020 0.000 1.070 1119 V CA -0.716 61.588 62.300 0.006 0.000 1.056 1119 V CB 0.837 32.660 31.823 0.001 0.000 1.084 1119 V HN 0.487 nan 8.190 nan 0.000 0.471 1120 E N 1.317 121.525 120.200 0.013 0.000 2.343 1120 E HA 0.533 4.883 4.350 0.001 0.000 0.269 1120 E C 0.201 176.803 176.600 0.003 0.000 1.047 1120 E CA 0.296 56.705 56.400 0.015 0.000 0.874 1120 E CB 0.938 30.642 29.700 0.007 0.000 1.033 1120 E HN 1.822 nan 8.360 nan 0.000 0.409 1121 G N 3.226 112.024 108.800 -0.004 0.000 3.307 1121 G HA2 -0.246 3.715 3.960 0.001 0.000 0.686 1121 G HA3 -0.246 3.715 3.960 0.001 0.000 0.686 1121 G C 0.327 175.155 174.900 -0.121 0.000 0.983 1121 G CA 0.115 45.184 45.100 -0.052 0.000 0.804 1121 G HN 0.801 nan 8.290 nan 0.000 0.531 1122 R N 1.389 121.712 120.500 -0.294 0.000 2.120 1122 R HA -0.113 4.228 4.340 0.001 0.000 0.234 1122 R C 2.753 178.843 176.300 -0.350 0.000 1.123 1122 R CA 2.594 58.252 56.100 -0.736 0.000 0.975 1122 R CB -0.460 29.233 30.300 -1.012 0.000 0.866 1122 R HN 1.163 nan 8.270 nan 0.000 0.446 1123 S N 0.871 116.453 115.700 -0.197 0.000 2.372 1123 S HA -0.205 4.265 4.470 0.001 0.000 0.227 1123 S C 1.690 176.251 174.600 -0.065 0.000 1.044 1123 S CA 1.425 59.563 58.200 -0.103 0.000 1.050 1123 S CB -0.359 62.800 63.200 -0.068 0.000 0.901 1123 S HN 0.501 nan 8.310 nan 0.000 0.447 1124 R N 0.892 121.359 120.500 -0.055 0.000 2.702 1124 R HA 0.207 4.548 4.340 0.001 0.000 0.314 1124 R C -0.140 176.159 176.300 -0.002 0.000 1.152 1124 R CA 0.332 56.420 56.100 -0.019 0.000 1.097 1124 R CB -0.136 30.159 30.300 -0.009 0.000 1.343 1124 R HN 0.349 nan 8.270 nan 0.000 0.575 1125 D N -0.639 119.762 120.400 0.001 0.000 3.079 1125 D HA -0.133 4.507 4.640 0.001 0.000 0.214 1125 D C 0.504 176.888 176.300 0.140 0.000 1.145 1125 D CA 1.211 55.262 54.000 0.085 0.000 0.958 1125 D CB -0.638 40.191 40.800 0.049 0.000 1.117 1125 D HN 0.503 nan 8.370 nan 0.000 0.416 1126 G N -0.460 108.404 108.800 0.107 0.000 2.597 1126 G HA2 0.406 4.366 3.960 0.001 0.000 0.283 1126 G HA3 0.406 4.366 3.960 0.001 0.000 0.283 1126 G C 0.574 175.592 174.900 0.197 0.000 1.319 1126 G CA 0.378 45.552 45.100 0.123 0.000 1.054 1126 G HN 0.416 nan 8.290 nan 0.000 0.583 1127 G N -1.857 107.011 108.800 0.112 0.000 2.498 1127 G HA2 0.561 4.521 3.960 0.001 0.000 0.312 1127 G HA3 0.561 4.521 3.960 0.001 0.000 0.312 1127 G C -0.447 174.494 174.900 0.068 0.000 1.230 1127 G CA -0.961 44.170 45.100 0.053 0.000 0.968 1127 G HN 0.592 nan 8.290 nan 0.000 0.481 1128 L N 0.117 121.359 121.223 0.031 0.000 2.453 1128 L HA 0.476 4.816 4.340 0.001 0.000 0.261 1128 L C 1.032 177.941 176.870 0.065 0.000 1.179 1128 L CA -0.670 54.203 54.840 0.054 0.000 0.813 1128 L CB 0.795 42.875 42.059 0.035 0.000 1.110 1128 L HN 0.402 nan 8.230 nan 0.000 0.466 1129 R N 0.709 121.253 120.500 0.074 0.000 2.368 1129 R HA 0.217 4.558 4.340 0.001 0.000 0.302 1129 R C -0.699 175.687 176.300 0.144 0.000 1.002 1129 R CA -0.493 55.658 56.100 0.086 0.000 0.929 1129 R CB 0.732 31.060 30.300 0.046 0.000 1.073 1129 R HN 0.487 nan 8.270 nan 0.000 0.464 1130 F N 4.604 124.548 119.950 -0.010 0.000 2.975 1130 F HA 0.384 4.911 4.527 0.001 0.000 0.311 1130 F C 0.518 176.314 175.800 -0.008 0.000 1.239 1130 F CA -0.860 57.135 58.000 -0.008 0.000 1.282 1130 F CB -0.014 38.967 39.000 -0.033 0.000 1.071 1130 F HN 0.699 nan 8.300 nan 0.000 0.516 1131 G N 1.140 109.854 108.800 -0.142 0.000 2.504 1131 G HA2 -0.113 3.848 3.960 0.001 0.000 0.291 1131 G HA3 -0.113 3.848 3.960 0.001 0.000 0.291 1131 G C 0.971 175.703 174.900 -0.281 0.000 1.345 1131 G CA 0.033 45.029 45.100 -0.172 0.000 1.090 1131 G HN 0.507 nan 8.290 nan 0.000 0.591 1132 E N -0.829 119.266 120.200 -0.175 0.000 2.026 1132 E HA -0.242 4.108 4.350 0.001 0.000 0.206 1132 E C 2.782 179.271 176.600 -0.185 0.000 1.028 1132 E CA 1.701 58.004 56.400 -0.162 0.000 0.845 1132 E CB -0.245 29.398 29.700 -0.095 0.000 0.772 1132 E HN 0.368 nan 8.360 nan 0.000 0.462 1133 M N 0.551 120.070 119.600 -0.136 0.000 2.152 1133 M HA -0.277 4.204 4.480 0.001 0.000 0.251 1133 M C 2.087 178.301 176.300 -0.143 0.000 1.080 1133 M CA 1.842 57.076 55.300 -0.110 0.000 1.079 1133 M CB -1.235 31.320 32.600 -0.076 0.000 1.317 1133 M HN 0.065 nan 8.290 nan 0.000 0.404 1134 E N -0.638 119.416 120.200 -0.244 0.000 2.072 1134 E HA -0.095 4.255 4.350 0.001 0.000 0.191 1134 E C 1.998 178.322 176.600 -0.461 0.000 0.985 1134 E CA 0.936 57.136 56.400 -0.335 0.000 0.801 1134 E CB -0.383 29.005 29.700 -0.521 0.000 0.750 1134 E HN 0.409 nan 8.360 nan 0.000 0.452 1135 R N 1.016 121.159 120.500 -0.595 0.000 2.113 1135 R HA -0.229 4.112 4.340 0.001 0.000 0.231 1135 R C 1.342 177.588 176.300 -0.090 0.000 1.129 1135 R CA 2.240 58.141 56.100 -0.332 0.000 0.915 1135 R CB -0.445 29.721 30.300 -0.223 0.000 0.837 1135 R HN 0.105 nan 8.270 nan 0.000 0.430 1136 D N 0.326 120.670 120.400 -0.094 0.000 2.268 1136 D HA -0.272 4.368 4.640 0.001 0.000 0.189 1136 D C 2.018 178.311 176.300 -0.010 0.000 1.010 1136 D CA 1.938 55.912 54.000 -0.043 0.000 0.862 1136 D CB -0.955 39.811 40.800 -0.057 0.000 0.943 1136 D HN 0.365 nan 8.370 nan 0.000 0.451 1137 C N 0.277 119.573 119.300 -0.006 0.000 2.398 1137 C HA -0.190 4.271 4.460 0.001 0.000 0.276 1137 C C 2.733 177.781 174.990 0.097 0.000 1.222 1137 C CA 0.813 59.837 59.018 0.011 0.000 1.746 1137 C CB -0.779 26.999 27.740 0.064 0.000 2.039 1137 C HN 0.381 nan 8.230 nan 0.000 0.470 1138 M N 0.317 120.059 119.600 0.236 0.000 2.132 1138 M HA -0.037 4.443 4.480 0.001 0.000 0.263 1138 M C 1.969 178.407 176.300 0.230 0.000 1.065 1138 M CA 1.528 57.036 55.300 0.346 0.000 1.122 1138 M CB -1.356 31.535 32.600 0.486 0.000 1.365 1138 M HN 0.385 nan 8.290 nan 0.000 0.411 1139 I N 0.257 120.912 120.570 0.141 0.000 2.208 1139 I HA -0.270 3.900 4.170 0.001 0.000 0.245 1139 I C 2.632 178.793 176.117 0.073 0.000 1.097 1139 I CA 1.196 62.553 61.300 0.094 0.000 1.363 1139 I CB -0.732 37.299 38.000 0.051 0.000 1.051 1139 I HN 0.222 nan 8.210 nan 0.000 0.413 1140 A N 0.367 123.208 122.820 0.034 0.000 1.865 1140 A HA -0.271 4.049 4.320 0.001 0.000 0.217 1140 A C 2.245 179.842 177.584 0.021 0.000 1.191 1140 A CA 1.739 53.767 52.037 -0.015 0.000 0.623 1140 A CB -1.046 17.894 19.000 -0.099 0.000 0.826 1140 A HN 0.403 nan 8.150 nan 0.000 0.444 1141 H N -0.911 118.184 119.070 0.042 0.000 2.426 1141 H HA -0.061 4.495 4.556 0.001 0.000 0.298 1141 H C 1.803 177.152 175.328 0.035 0.000 1.107 1141 H CA 1.333 57.402 56.048 0.034 0.000 1.298 1141 H CB -0.470 29.316 29.762 0.040 0.000 1.377 1141 H HN 0.757 nan 8.280 nan 0.000 0.519 1142 G N -0.675 108.233 108.800 0.180 0.000 2.132 1142 G HA2 -0.211 3.749 3.960 0.001 0.000 0.228 1142 G HA3 -0.211 3.749 3.960 0.001 0.000 0.228 1142 G C 0.491 175.460 174.900 0.115 0.000 1.000 1142 G CA 0.432 45.603 45.100 0.118 0.000 0.693 1142 G HN 0.710 nan 8.290 nan 0.000 0.515 1143 A N -0.039 122.873 122.820 0.153 0.000 3.126 1143 A HA 0.823 5.143 4.320 0.001 0.000 0.268 1143 A C 1.766 179.460 177.584 0.183 0.000 1.605 1143 A CA 0.978 53.099 52.037 0.140 0.000 1.305 1143 A CB -0.318 18.756 19.000 0.122 0.000 1.160 1143 A HN 1.758 nan 8.150 nan 0.000 0.609 1144 A N 0.592 123.489 122.820 0.128 0.000 1.883 1144 A HA -0.110 4.210 4.320 0.001 0.000 0.217 1144 A C 2.478 180.124 177.584 0.104 0.000 1.186 1144 A CA 2.320 54.423 52.037 0.109 0.000 0.624 1144 A CB -0.769 18.277 19.000 0.076 0.000 0.822 1144 A HN 0.588 nan 8.150 nan 0.000 0.444 1145 S N -0.994 114.765 115.700 0.098 0.000 2.359 1145 S HA -0.213 4.258 4.470 0.001 0.000 0.222 1145 S C 1.702 176.364 174.600 0.103 0.000 1.038 1145 S CA 1.753 60.003 58.200 0.083 0.000 1.051 1145 S CB -0.636 62.609 63.200 0.075 0.000 0.944 1145 S HN 0.644 nan 8.310 nan 0.000 0.433 1146 F N 2.248 122.190 119.950 -0.014 0.000 2.069 1146 F HA -0.132 4.395 4.527 0.001 0.000 0.298 1146 F C 2.072 177.853 175.800 -0.032 0.000 1.113 1146 F CA 1.415 59.391 58.000 -0.041 0.000 1.214 1146 F CB -0.771 38.199 39.000 -0.050 0.000 0.978 1146 F HN 0.165 nan 8.300 nan 0.000 0.474 1147 L N 0.985 122.215 121.223 0.012 0.000 1.978 1147 L HA -0.322 4.018 4.340 0.001 0.000 0.218 1147 L C 2.710 179.511 176.870 -0.115 0.000 1.075 1147 L CA 2.655 57.471 54.840 -0.039 0.000 0.767 1147 L CB -0.886 41.261 42.059 0.148 0.000 0.890 1147 L HN 0.286 nan 8.230 nan 0.000 0.434 1148 K N -0.292 120.083 120.400 -0.042 0.000 2.034 1148 K HA -0.330 3.991 4.320 0.001 0.000 0.214 1148 K C 2.109 178.645 176.600 -0.107 0.000 1.051 1148 K CA 2.317 58.578 56.287 -0.044 0.000 0.931 1148 K CB -0.447 32.047 32.500 -0.010 0.000 0.715 1148 K HN 0.572 nan 8.250 nan 0.000 0.446 1149 E N 0.042 120.153 120.200 -0.149 0.000 2.086 1149 E HA -0.229 4.121 4.350 0.001 0.000 0.200 1149 E C 1.797 178.244 176.600 -0.255 0.000 1.012 1149 E CA 1.350 57.645 56.400 -0.174 0.000 0.812 1149 E CB 0.101 29.711 29.700 -0.149 0.000 0.743 1149 E HN 0.255 nan 8.360 nan 0.000 0.453 1150 R N -0.229 119.997 120.500 -0.457 0.000 2.316 1150 R HA -0.031 4.310 4.340 0.001 0.000 0.202 1150 R C 1.763 177.938 176.300 -0.208 0.000 1.029 1150 R CA 0.324 56.139 56.100 -0.474 0.000 1.018 1150 R CB -0.238 29.471 30.300 -0.984 0.000 0.888 1150 R HN 0.236 nan 8.270 nan 0.000 0.471 1151 L N -1.006 120.144 121.223 -0.122 0.000 2.515 1151 L HA 0.212 4.552 4.340 0.001 0.000 0.223 1151 L C 1.692 178.550 176.870 -0.019 0.000 1.079 1151 L CA 1.096 55.923 54.840 -0.021 0.000 0.857 1151 L CB -0.194 41.873 42.059 0.014 0.000 1.050 1151 L HN -0.001 nan 8.230 nan 0.000 0.476 1152 M N -1.193 118.382 119.600 -0.042 0.000 3.125 1152 M HA 0.127 4.607 4.480 0.001 0.000 0.207 1152 M C 1.897 178.176 176.300 -0.035 0.000 1.574 1152 M CA 0.568 55.856 55.300 -0.020 0.000 1.430 1152 M CB -0.784 31.804 32.600 -0.020 0.000 0.998 1152 M HN -0.109 nan 8.290 nan 0.000 0.574 1153 E N 1.485 121.649 120.200 -0.060 0.000 2.219 1153 E HA -0.071 4.279 4.350 0.001 0.000 0.198 1153 E C 1.266 177.827 176.600 -0.065 0.000 0.998 1153 E CA 1.455 57.818 56.400 -0.061 0.000 0.818 1153 E CB -0.302 29.357 29.700 -0.070 0.000 0.741 1153 E HN 0.505 nan 8.360 nan 0.000 0.477 1154 A N -0.915 121.852 122.820 -0.087 0.000 2.507 1154 A HA 0.458 4.779 4.320 0.001 0.000 0.270 1154 A C 1.010 178.554 177.584 -0.067 0.000 1.318 1154 A CA 0.357 52.339 52.037 -0.092 0.000 0.924 1154 A CB 0.300 19.210 19.000 -0.150 0.000 1.061 1154 A HN 0.101 nan 8.150 nan 0.000 0.516 1155 S N -1.735 113.939 115.700 -0.043 0.000 4.436 1155 S HA 0.118 4.589 4.470 0.001 0.000 0.207 1155 S C -0.039 174.554 174.600 -0.012 0.000 1.209 1155 S CA 0.346 58.532 58.200 -0.023 0.000 1.086 1155 S CB -0.439 62.756 63.200 -0.008 0.000 2.036 1155 S HN 0.247 nan 8.310 nan 0.000 0.627 1156 D N 1.437 121.845 120.400 0.013 0.000 1.852 1156 D HA 0.343 4.984 4.640 0.001 0.000 0.277 1156 D C 0.730 177.074 176.300 0.073 0.000 1.056 1156 D CA 1.830 55.857 54.000 0.045 0.000 0.962 1156 D CB -0.997 39.859 40.800 0.093 0.000 1.390 1156 D HN 1.218 nan 8.370 nan 0.000 0.518 1157 A N -0.361 122.531 122.820 0.120 0.000 2.416 1157 A HA -0.018 4.302 4.320 0.001 0.000 0.679 1157 A C -0.566 177.202 177.584 0.307 0.000 0.152 1157 A CA 0.366 52.492 52.037 0.150 0.000 0.074 1157 A CB -1.504 17.534 19.000 0.063 0.000 3.935 1157 A HN 0.360 nan 8.150 nan 0.000 0.542 1158 F N 2.483 122.511 119.950 0.129 0.000 2.719 1158 F HA 0.755 5.282 4.527 0.001 0.000 0.309 1158 F C -0.679 175.215 175.800 0.157 0.000 1.138 1158 F CA -0.757 57.335 58.000 0.153 0.000 0.943 1158 F CB 1.184 40.309 39.000 0.210 0.000 1.304 1158 F HN 0.878 nan 8.300 nan 0.000 0.445 1159 R N 3.943 124.038 120.500 -0.674 0.000 2.409 1159 R HA 0.697 5.038 4.340 0.001 0.000 0.313 1159 R C -1.563 174.161 176.300 -0.960 0.000 0.953 1159 R CA -0.353 55.344 56.100 -0.671 0.000 0.849 1159 R CB 1.128 31.213 30.300 -0.359 0.000 1.171 1159 R HN 0.673 nan 8.270 nan 0.000 0.458 1160 V N 0.671 120.148 119.914 -0.729 0.000 3.229 1160 V HA 0.686 4.806 4.120 0.001 0.000 0.310 1160 V C -0.374 175.320 176.094 -0.667 0.000 1.206 1160 V CA -0.813 61.160 62.300 -0.545 0.000 1.051 1160 V CB 2.205 33.858 31.823 -0.283 0.000 1.183 1160 V HN 0.710 nan 8.190 nan 0.000 0.466 1161 H N -0.023 118.929 119.070 -0.198 0.000 2.717 1161 H HA 0.705 5.261 4.556 0.001 0.000 0.366 1161 H C -1.084 174.165 175.328 -0.132 0.000 1.132 1161 H CA -0.320 55.601 56.048 -0.212 0.000 1.180 1161 H CB 2.320 31.888 29.762 -0.322 0.000 1.678 1161 H HN 0.597 nan 8.280 nan 0.000 0.537 1162 I N 0.869 121.445 120.570 0.009 0.000 2.797 1162 I HA 0.220 4.391 4.170 0.001 0.000 0.307 1162 I C 0.326 176.464 176.117 0.036 0.000 1.033 1162 I CA -1.006 60.309 61.300 0.025 0.000 1.071 1162 I CB 2.215 40.231 38.000 0.027 0.000 1.255 1162 I HN 0.447 nan 8.210 nan 0.000 0.445 1163 C N 2.852 122.169 119.300 0.027 0.000 2.347 1163 C HA 0.479 4.939 4.460 0.001 0.000 0.353 1163 C C 1.770 176.773 174.990 0.022 0.000 1.273 1163 C CA -0.191 58.841 59.018 0.022 0.000 1.861 1163 C CB -0.189 27.561 27.740 0.017 0.000 2.420 1163 C HN 1.044 nan 8.230 nan 0.000 0.542 1164 G N 4.688 113.526 108.800 0.064 0.000 2.516 1164 G HA2 -0.103 3.857 3.960 0.001 0.000 0.221 1164 G HA3 -0.103 3.857 3.960 0.001 0.000 0.221 1164 G C 0.926 175.727 174.900 -0.166 0.000 1.107 1164 G CA 1.413 46.542 45.100 0.049 0.000 0.747 1164 G HN 0.846 nan 8.290 nan 0.000 0.567 1165 I N 0.252 120.772 120.570 -0.084 0.000 4.169 1165 I HA 0.090 4.260 4.170 0.001 0.000 0.230 1165 I C 1.345 177.491 176.117 0.047 0.000 1.009 1165 I CA -0.167 61.098 61.300 -0.057 0.000 1.554 1165 I CB -0.631 37.370 38.000 0.002 0.000 1.437 1165 I HN 0.120 nan 8.210 nan 0.000 0.458 1166 C N 2.803 122.143 119.300 0.067 0.000 2.610 1166 C HA 0.474 4.934 4.460 0.001 0.000 0.382 1166 C C 1.448 176.503 174.990 0.108 0.000 1.287 1166 C CA -1.373 57.705 59.018 0.099 0.000 1.640 1166 C CB -1.347 26.424 27.740 0.051 0.000 2.335 1166 C HN 0.657 nan 8.230 nan 0.000 0.577 1167 G N 4.902 113.831 108.800 0.215 0.000 3.022 1167 G HA2 0.302 4.262 3.960 0.001 0.000 0.246 1167 G HA3 0.302 4.262 3.960 0.001 0.000 0.246 1167 G C 0.094 175.017 174.900 0.037 0.000 0.859 1167 G CA -0.055 45.145 45.100 0.167 0.000 1.941 1167 G HN 0.873 nan 8.290 nan 0.000 0.589 1168 L N -1.234 120.008 121.223 0.032 0.000 2.301 1168 L HA 0.452 4.792 4.340 0.001 0.000 0.264 1168 L C 1.277 178.166 176.870 0.032 0.000 1.016 1168 L CA -1.148 53.703 54.840 0.019 0.000 0.821 1168 L CB 1.693 43.762 42.059 0.018 0.000 1.346 1168 L HN 0.046 nan 8.230 nan 0.000 0.429 1169 M N -0.162 119.465 119.600 0.045 0.000 2.628 1169 M HA -0.017 4.463 4.480 0.001 0.000 0.232 1169 M C 1.423 177.748 176.300 0.041 0.000 1.128 1169 M CA 0.179 55.508 55.300 0.047 0.000 1.040 1169 M CB -0.513 32.128 32.600 0.068 0.000 1.608 1169 M HN 0.866 nan 8.290 nan 0.000 0.507 1170 T N 0.524 115.098 114.554 0.034 0.000 2.527 1170 T HA -0.198 4.152 4.350 0.001 0.000 0.258 1170 T C 0.949 175.665 174.700 0.026 0.000 1.175 1170 T CA 0.938 63.056 62.100 0.030 0.000 1.168 1170 T CB -1.213 67.669 68.868 0.024 0.000 0.860 1170 T HN 0.295 nan 8.240 nan 0.000 0.429 1171 V N 2.617 122.537 119.914 0.010 0.000 3.233 1171 V HA -0.152 3.969 4.120 0.001 0.000 0.265 1171 V C 0.465 176.551 176.094 -0.013 0.000 1.650 1171 V CA 0.272 62.560 62.300 -0.020 0.000 1.577 1171 V CB -0.692 31.089 31.823 -0.070 0.000 0.822 1171 V HN 0.426 nan 8.190 nan 0.000 0.416 1172 I N 4.785 125.359 120.570 0.007 0.000 2.317 1172 I HA 0.370 4.540 4.170 0.001 0.000 0.286 1172 I C 0.872 177.028 176.117 0.065 0.000 1.119 1172 I CA -0.350 60.972 61.300 0.036 0.000 1.228 1172 I CB 0.224 38.256 38.000 0.052 0.000 1.476 1172 I HN 0.782 nan 8.210 nan 0.000 0.514 1173 A N 6.050 128.861 122.820 -0.014 0.000 2.444 1173 A HA 0.209 4.529 4.320 0.001 0.000 0.287 1173 A C 0.943 178.587 177.584 0.099 0.000 1.195 1173 A CA -0.126 51.926 52.037 0.025 0.000 0.858 1173 A CB -0.097 18.592 19.000 -0.519 0.000 1.117 1173 A HN 0.565 nan 8.150 nan 0.000 0.521 1174 K N 3.080 123.554 120.400 0.124 0.000 2.684 1174 K HA 0.194 4.515 4.320 0.001 0.000 0.215 1174 K C -0.320 176.236 176.600 -0.073 0.000 1.073 1174 K CA -0.226 56.069 56.287 0.013 0.000 1.197 1174 K CB -0.179 32.336 32.500 0.025 0.000 0.955 1174 K HN 0.798 nan 8.250 nan 0.000 0.473 1175 L N 2.045 123.271 121.223 0.005 0.000 7.887 1175 L HA -0.298 4.042 4.340 0.001 0.000 0.360 1175 L C 1.022 177.826 176.870 -0.110 0.000 1.783 1175 L CA 0.450 55.281 54.840 -0.014 0.000 0.559 1175 L CB -1.284 40.825 42.059 0.082 0.000 1.422 1175 L HN 0.520 nan 8.230 nan 0.000 0.212 1176 N N -0.968 117.601 118.700 -0.217 0.000 2.529 1176 N HA -0.066 4.674 4.740 0.001 0.000 0.328 1176 N C 1.102 176.429 175.510 -0.304 0.000 0.606 1176 N CA -0.035 52.828 53.050 -0.312 0.000 1.182 1176 N CB 0.307 38.477 38.487 -0.528 0.000 1.946 1176 N HN 0.457 nan 8.380 nan 0.000 1.584 1177 H N 1.869 120.878 119.070 -0.102 0.000 2.551 1177 H HA 0.396 4.952 4.556 0.001 0.000 0.271 1177 H C 0.372 175.579 175.328 -0.201 0.000 0.984 1177 H CA 0.121 56.099 56.048 -0.116 0.000 1.164 1177 H CB 0.277 29.988 29.762 -0.085 0.000 1.437 1177 H HN 0.401 nan 8.280 nan 0.000 0.550 1178 N N 0.520 119.070 118.700 -0.251 0.000 2.885 1178 N HA -0.230 4.510 4.740 0.001 0.000 0.215 1178 N C -0.026 175.029 175.510 -0.758 0.000 0.893 1178 N CA 0.953 53.652 53.050 -0.586 0.000 1.147 1178 N CB -0.973 37.253 38.487 -0.435 0.000 0.967 1178 N HN 0.471 nan 8.380 nan 0.000 0.601 1179 Q N -0.074 119.548 119.800 -0.297 0.000 2.757 1179 Q HA -0.089 4.251 4.340 0.001 0.000 0.366 1179 Q C 0.510 176.468 176.000 -0.070 0.000 1.083 1179 Q CA 0.928 56.645 55.803 -0.142 0.000 1.146 1179 Q CB -0.126 28.607 28.738 -0.008 0.000 1.060 1179 Q HN 0.470 nan 8.270 nan 0.000 0.416 1180 F N 0.508 120.428 119.950 -0.050 0.000 2.767 1180 F HA 0.029 4.556 4.527 0.001 0.000 0.323 1180 F C 1.472 177.242 175.800 -0.050 0.000 1.091 1180 F CA -0.558 57.397 58.000 -0.076 0.000 1.192 1180 F CB 0.638 39.584 39.000 -0.090 0.000 1.056 1180 F HN 0.693 nan 8.300 nan 0.000 0.571 1181 E N -0.056 120.235 120.200 0.152 0.000 3.620 1181 E HA -0.574 3.776 4.350 0.001 0.000 0.491 1181 E C 1.572 178.207 176.600 0.058 0.000 1.639 1181 E CA 2.660 59.109 56.400 0.081 0.000 1.210 1181 E CB -1.007 28.730 29.700 0.061 0.000 1.098 1181 E HN 0.609 nan 8.360 nan 0.000 0.362 1182 C N 0.071 119.397 119.300 0.044 0.000 5.894 1182 C HA -0.262 4.198 4.460 0.001 0.000 0.268 1182 C C 1.246 176.251 174.990 0.026 0.000 1.876 1182 C CA 2.558 61.591 59.018 0.025 0.000 1.648 1182 C CB -2.252 25.495 27.740 0.013 0.000 2.706 1182 C HN 1.005 nan 8.230 nan 0.000 0.523 1183 K N 0.779 121.195 120.400 0.028 0.000 2.632 1183 K HA -0.068 4.252 4.320 0.001 0.000 0.133 1183 K C 1.515 178.128 176.600 0.020 0.000 1.346 1183 K CA 2.327 58.628 56.287 0.023 0.000 0.827 1183 K CB -1.662 30.852 32.500 0.023 0.000 0.517 1183 K HN 2.485 nan 8.250 nan 0.000 1.037 1184 G N -0.443 108.368 108.800 0.018 0.000 3.815 1184 G HA2 -0.495 3.465 3.960 0.001 0.000 0.223 1184 G HA3 -0.495 3.465 3.960 0.001 0.000 0.223 1184 G C 1.523 176.433 174.900 0.016 0.000 1.393 1184 G CA 1.234 46.344 45.100 0.017 0.000 1.209 1184 G HN 1.070 nan 8.290 nan 0.000 0.635 1185 C N 1.236 120.547 119.300 0.018 0.000 2.634 1185 C HA 0.384 4.844 4.460 0.001 0.000 0.268 1185 C C 1.069 176.069 174.990 0.017 0.000 1.322 1185 C CA 0.784 59.812 59.018 0.018 0.000 1.737 1185 C CB -1.247 26.505 27.740 0.020 0.000 1.976 1185 C HN 0.818 nan 8.230 nan 0.000 0.547 1186 D N 1.550 121.960 120.400 0.017 0.000 3.142 1186 D HA -0.173 4.467 4.640 0.001 0.000 0.221 1186 D C 0.344 176.654 176.300 0.017 0.000 1.193 1186 D CA 0.646 54.656 54.000 0.017 0.000 0.900 1186 D CB -0.704 40.105 40.800 0.015 0.000 0.886 1186 D HN 0.640 nan 8.370 nan 0.000 0.399 1187 N N 1.810 120.522 118.700 0.020 0.000 2.205 1187 N HA 0.092 4.832 4.740 0.001 0.000 0.214 1187 N C 1.090 176.617 175.510 0.028 0.000 1.196 1187 N CA 1.057 54.118 53.050 0.019 0.000 1.092 1187 N CB 0.286 38.782 38.487 0.015 0.000 1.422 1187 N HN 0.509 nan 8.380 nan 0.000 0.483 1188 K N -1.175 119.251 120.400 0.045 0.000 3.533 1188 K HA -0.104 4.216 4.320 0.001 0.000 0.289 1188 K C 0.741 177.386 176.600 0.074 0.000 1.317 1188 K CA 0.889 57.222 56.287 0.076 0.000 0.967 1188 K CB -1.146 31.385 32.500 0.052 0.000 1.323 1188 K HN 0.428 nan 8.250 nan 0.000 0.477 1189 I N -0.481 120.112 120.570 0.039 0.000 4.228 1189 I HA 0.052 4.222 4.170 0.001 0.000 0.298 1189 I C -0.266 175.839 176.117 -0.020 0.000 1.206 1189 I CA -0.162 61.149 61.300 0.018 0.000 1.322 1189 I CB 0.732 38.733 38.000 0.002 0.000 1.411 1189 I HN 0.114 nan 8.210 nan 0.000 0.454 1190 D N 2.010 122.389 120.400 -0.034 0.000 2.456 1190 D HA 0.504 5.144 4.640 0.001 0.000 0.219 1190 D C -0.763 175.474 176.300 -0.105 0.000 1.126 1190 D CA 0.213 54.161 54.000 -0.087 0.000 0.890 1190 D CB 0.429 41.218 40.800 -0.018 0.000 1.025 1190 D HN 0.050 nan 8.370 nan 0.000 0.511 1191 I N 2.973 123.381 120.570 -0.271 0.000 2.802 1191 I HA 0.351 4.521 4.170 0.001 0.000 0.298 1191 I C -1.227 174.623 176.117 -0.444 0.000 1.176 1191 I CA -0.987 60.178 61.300 -0.224 0.000 1.025 1191 I CB 1.823 39.691 38.000 -0.220 0.000 1.243 1191 I HN 0.222 nan 8.210 nan 0.000 0.424 1192 Y N 2.458 122.692 120.300 -0.109 0.000 2.536 1192 Y HA 0.470 5.021 4.550 0.001 0.000 0.347 1192 Y C -0.219 175.586 175.900 -0.159 0.000 1.000 1192 Y CA -0.799 57.239 58.100 -0.103 0.000 1.051 1192 Y CB 1.619 40.021 38.460 -0.096 0.000 1.259 1192 Y HN 0.404 nan 8.280 nan 0.000 0.468 1193 Q N 3.933 123.711 119.800 -0.035 0.000 2.256 1193 Q HA 0.775 5.115 4.340 0.001 0.000 0.257 1193 Q C -1.346 174.491 176.000 -0.271 0.000 0.936 1193 Q CA -0.745 54.879 55.803 -0.297 0.000 0.903 1193 Q CB 1.281 29.863 28.738 -0.261 0.000 1.263 1193 Q HN 0.766 nan 8.270 nan 0.000 0.440 1194 I N -0.327 120.003 120.570 -0.399 0.000 2.752 1194 I HA 0.450 4.620 4.170 0.001 0.000 0.295 1194 I C -1.291 174.592 176.117 -0.390 0.000 1.219 1194 I CA -1.082 60.035 61.300 -0.306 0.000 1.030 1194 I CB 2.220 40.140 38.000 -0.133 0.000 1.259 1194 I HN 0.571 nan 8.210 nan 0.000 0.423 1195 H N 6.112 125.137 119.070 -0.074 0.000 2.519 1195 H HA 0.739 5.295 4.556 0.001 0.000 0.316 1195 H C -0.599 174.719 175.328 -0.018 0.000 1.065 1195 H CA -0.260 55.755 56.048 -0.053 0.000 1.264 1195 H CB 1.720 31.465 29.762 -0.027 0.000 1.413 1195 H HN 0.738 nan 8.280 nan 0.000 0.465 1196 I N 0.579 121.212 120.570 0.105 0.000 3.006 1196 I HA 0.460 4.630 4.170 0.001 0.000 0.306 1196 I C -2.974 173.200 176.117 0.095 0.000 1.250 1196 I CA -2.640 58.702 61.300 0.070 0.000 0.996 1196 I CB 2.723 40.738 38.000 0.025 0.000 1.261 1196 I HN 0.153 nan 8.210 nan 0.000 0.442 1197 P HA -0.028 nan 4.420 nan 0.000 0.271 1197 P C 0.190 177.551 177.300 0.102 0.000 1.226 1197 P CA 0.280 63.430 63.100 0.083 0.000 0.765 1197 P CB 0.433 32.150 31.700 0.028 0.000 0.835 1198 Y N 4.620 124.966 120.300 0.076 0.000 2.348 1198 Y HA -0.299 4.251 4.550 0.001 0.000 0.285 1198 Y C 2.255 178.126 175.900 -0.048 0.000 1.173 1198 Y CA 2.146 60.275 58.100 0.048 0.000 1.263 1198 Y CB -0.525 37.859 38.460 -0.126 0.000 0.974 1198 Y HN 0.488 nan 8.280 nan 0.000 0.547 1199 A N -0.052 122.791 122.820 0.039 0.000 1.930 1199 A HA -0.049 4.271 4.320 0.001 0.000 0.217 1199 A C 2.378 179.835 177.584 -0.212 0.000 1.175 1199 A CA 1.558 53.565 52.037 -0.050 0.000 0.627 1199 A CB -1.228 17.766 19.000 -0.011 0.000 0.815 1199 A HN 0.570 nan 8.150 nan 0.000 0.443 1200 A N -0.067 122.572 122.820 -0.303 0.000 1.930 1200 A HA -0.042 4.279 4.320 0.001 0.000 0.215 1200 A C 2.118 179.156 177.584 -0.910 0.000 1.176 1200 A CA 1.606 53.249 52.037 -0.657 0.000 0.632 1200 A CB -0.392 18.223 19.000 -0.641 0.000 0.819 1200 A HN 0.501 nan 8.150 nan 0.000 0.445 1201 K N -0.100 119.990 120.400 -0.517 0.000 2.001 1201 K HA -0.210 4.111 4.320 0.001 0.000 0.214 1201 K C 1.940 178.344 176.600 -0.326 0.000 1.050 1201 K CA 1.985 58.071 56.287 -0.335 0.000 0.934 1201 K CB -0.558 31.812 32.500 -0.217 0.000 0.718 1201 K HN 0.317 nan 8.250 nan 0.000 0.443 1202 L N 1.552 122.519 121.223 -0.427 0.000 1.971 1202 L HA -0.229 4.112 4.340 0.001 0.000 0.215 1202 L C 2.649 179.425 176.870 -0.156 0.000 1.072 1202 L CA 1.667 56.334 54.840 -0.288 0.000 0.758 1202 L CB -0.727 41.173 42.059 -0.265 0.000 0.889 1202 L HN 0.404 nan 8.230 nan 0.000 0.433 1203 L N -0.945 120.160 121.223 -0.197 0.000 2.103 1203 L HA -0.304 4.037 4.340 0.001 0.000 0.215 1203 L C 2.115 179.049 176.870 0.107 0.000 1.080 1203 L CA 2.027 56.813 54.840 -0.090 0.000 0.764 1203 L CB -0.753 41.207 42.059 -0.165 0.000 0.890 1203 L HN 0.312 nan 8.230 nan 0.000 0.435 1204 F N -0.958 118.967 119.950 -0.043 0.000 2.094 1204 F HA -0.169 4.358 4.527 0.001 0.000 0.291 1204 F C 2.599 178.381 175.800 -0.031 0.000 1.109 1204 F CA 0.785 58.765 58.000 -0.033 0.000 1.221 1204 F CB -0.428 38.553 39.000 -0.032 0.000 1.014 1204 F HN 0.080 nan 8.300 nan 0.000 0.473 1205 Q N 0.685 120.585 119.800 0.167 0.000 2.152 1205 Q HA -0.250 4.091 4.340 0.001 0.000 0.206 1205 Q C 1.843 177.877 176.000 0.056 0.000 0.985 1205 Q CA 1.905 57.755 55.803 0.079 0.000 0.863 1205 Q CB -0.353 28.401 28.738 0.027 0.000 0.904 1205 Q HN 0.542 nan 8.270 nan 0.000 0.422 1206 E N 0.321 120.549 120.200 0.047 0.000 2.153 1206 E HA -0.146 4.204 4.350 0.001 0.000 0.194 1206 E C 1.958 178.585 176.600 0.044 0.000 0.988 1206 E CA 0.716 57.137 56.400 0.035 0.000 0.811 1206 E CB -0.023 29.689 29.700 0.021 0.000 0.746 1206 E HN 0.376 nan 8.360 nan 0.000 0.466 1207 L N 0.064 121.329 121.223 0.070 0.000 2.240 1207 L HA -0.044 4.297 4.340 0.001 0.000 0.211 1207 L C 2.354 179.241 176.870 0.029 0.000 1.106 1207 L CA 0.682 55.553 54.840 0.052 0.000 0.793 1207 L CB -0.267 41.832 42.059 0.067 0.000 0.927 1207 L HN 0.238 nan 8.230 nan 0.000 0.446 1208 M N -0.378 119.244 119.600 0.037 0.000 2.200 1208 M HA -0.074 4.407 4.480 0.001 0.000 0.265 1208 M C 2.401 178.712 176.300 0.018 0.000 1.066 1208 M CA 1.541 56.853 55.300 0.021 0.000 1.127 1208 M CB -0.431 32.186 32.600 0.029 0.000 1.379 1208 M HN 0.207 nan 8.290 nan 0.000 0.420 1209 A N -0.122 122.711 122.820 0.023 0.000 2.178 1209 A HA -0.061 4.260 4.320 0.001 0.000 0.218 1209 A C 1.920 179.512 177.584 0.014 0.000 1.157 1209 A CA 1.237 53.285 52.037 0.019 0.000 0.689 1209 A CB -0.609 18.403 19.000 0.020 0.000 0.787 1209 A HN 0.517 nan 8.150 nan 0.000 0.465 1210 M N -1.160 118.448 119.600 0.013 0.000 2.404 1210 M HA 0.158 4.638 4.480 0.001 0.000 0.271 1210 M C 0.226 176.528 176.300 0.003 0.000 1.128 1210 M CA -0.143 55.161 55.300 0.008 0.000 0.982 1210 M CB 0.290 32.895 32.600 0.009 0.000 1.445 1210 M HN 0.427 nan 8.290 nan 0.000 0.495 1211 N N 1.932 120.634 118.700 0.003 0.000 2.783 1211 N HA -0.144 4.597 4.740 0.001 0.000 0.247 1211 N C -1.437 174.067 175.510 -0.011 0.000 1.089 1211 N CA 0.584 53.632 53.050 -0.003 0.000 0.690 1211 N CB -0.504 37.981 38.487 -0.003 0.000 0.991 1211 N HN 0.252 nan 8.380 nan 0.000 0.552 1212 I N 1.534 122.097 120.570 -0.012 0.000 2.436 1212 I HA 0.197 4.367 4.170 0.001 0.000 0.289 1212 I C 0.714 176.807 176.117 -0.040 0.000 1.010 1212 I CA -0.361 60.923 61.300 -0.026 0.000 1.098 1212 I CB 1.666 39.654 38.000 -0.020 0.000 1.266 1212 I HN 0.098 nan 8.210 nan 0.000 0.434 1213 T N 4.570 119.088 114.554 -0.059 0.000 2.728 1213 T HA 0.521 4.872 4.350 0.001 0.000 0.296 1213 T C -2.212 172.402 174.700 -0.143 0.000 0.940 1213 T CA -1.487 60.563 62.100 -0.083 0.000 1.013 1213 T CB 0.952 69.779 68.868 -0.068 0.000 0.912 1213 T HN 0.406 nan 8.240 nan 0.000 0.484 1214 P HA 0.323 nan 4.420 nan 0.000 0.238 1214 P C -0.333 176.747 177.300 -0.368 0.000 1.758 1214 P CA -0.732 62.141 63.100 -0.379 0.000 1.142 1214 P CB 0.530 31.843 31.700 -0.646 0.000 1.722 1215 R N 2.755 123.099 120.500 -0.259 0.000 2.543 1215 R HA 0.402 4.743 4.340 0.001 0.000 0.277 1215 R C 0.196 176.395 176.300 -0.168 0.000 1.074 1215 R CA -0.396 55.596 56.100 -0.180 0.000 1.076 1215 R CB 0.774 30.937 30.300 -0.228 0.000 0.993 1215 R HN 0.510 nan 8.270 nan 0.000 0.459 1216 L N 3.995 125.216 121.223 -0.003 0.000 2.349 1216 L HA 0.405 4.745 4.340 0.001 0.000 0.278 1216 L C -1.013 176.017 176.870 0.268 0.000 0.996 1216 L CA -0.874 53.991 54.840 0.042 0.000 0.825 1216 L CB 0.977 43.033 42.059 -0.005 0.000 1.243 1216 L HN 0.370 nan 8.230 nan 0.000 0.412 1217 Y N 0.840 121.058 120.300 -0.138 0.000 2.341 1217 Y HA 0.193 4.744 4.550 0.001 0.000 0.338 1217 Y C 1.469 177.248 175.900 -0.202 0.000 0.965 1217 Y CA -1.501 56.499 58.100 -0.165 0.000 1.108 1217 Y CB 2.057 40.444 38.460 -0.122 0.000 1.180 1217 Y HN 0.600 nan 8.280 nan 0.000 0.458 1218 T N -1.530 112.846 114.554 -0.297 0.000 3.155 1218 T HA 0.008 4.358 4.350 0.001 0.000 0.264 1218 T C -0.180 174.406 174.700 -0.189 0.000 1.160 1218 T CA 0.900 62.791 62.100 -0.350 0.000 1.075 1218 T CB -0.616 67.760 68.868 -0.820 0.000 0.921 1218 T HN 0.652 nan 8.240 nan 0.000 0.533 1219 D N -0.419 119.920 120.400 -0.102 0.000 2.654 1219 D HA 0.383 5.024 4.640 0.001 0.000 0.231 1219 D C -0.557 175.764 176.300 0.036 0.000 1.239 1219 D CA -1.191 52.790 54.000 -0.032 0.000 0.790 1219 D CB 1.282 42.055 40.800 -0.044 0.000 1.480 1219 D HN 0.306 nan 8.370 nan 0.000 0.442 1220 R N 0.064 120.584 120.500 0.033 0.000 2.596 1220 R HA 0.754 5.094 4.340 0.001 0.000 0.267 1220 R C -0.451 175.877 176.300 0.047 0.000 1.026 1220 R CA -0.621 55.506 56.100 0.044 0.000 1.087 1220 R CB 1.413 31.730 30.300 0.028 0.000 1.132 1220 R HN 0.555 nan 8.270 nan 0.000 0.531 1221 S N -0.086 115.641 115.700 0.046 0.000 2.691 1221 S HA 0.067 4.537 4.470 0.001 0.000 0.258 1221 S C 1.709 176.329 174.600 0.033 0.000 1.078 1221 S CA -0.439 57.786 58.200 0.043 0.000 1.000 1221 S CB -0.116 63.116 63.200 0.055 0.000 0.942 1221 S HN 0.708 nan 8.310 nan 0.000 0.521 1222 R N 1.732 122.244 120.500 0.021 0.000 2.096 1222 R HA -0.160 4.181 4.340 0.001 0.000 0.240 1222 R C 0.478 176.812 176.300 0.057 0.000 1.139 1222 R CA 2.250 58.360 56.100 0.016 0.000 0.952 1222 R CB -0.237 30.052 30.300 -0.018 0.000 0.854 1222 R HN 0.413 nan 8.270 nan 0.000 0.436 1223 D N -2.863 117.581 120.400 0.074 0.000 4.744 1223 D HA -0.292 4.349 4.640 0.001 0.000 0.132 1223 D C 0.004 176.437 176.300 0.221 0.000 0.696 1223 D CA 1.555 55.622 54.000 0.111 0.000 1.074 1223 D CB -0.907 39.950 40.800 0.094 0.000 0.635 1223 D HN 0.148 nan 8.370 nan 0.000 0.584 1224 F N 0.000 119.949 119.950 -0.001 0.000 2.286 1224 F HA 0.000 4.527 4.527 0.001 0.000 0.279 1224 F CA 0.000 57.999 58.000 -0.002 0.000 1.383 1224 F CB 0.000 38.998 39.000 -0.004 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574