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 3m3y_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKXXXXX 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 ALDFIGXXXX XXXXXKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGEQ DATA SEQUENCE KKAMSSRAGV SQVLNRYTYS STLSHLRRTN TPIXXXXXXA 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 0.000 176.277 176.300 -0.038 0.000 2.045 20 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 20 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 21 E N -0.216 119.950 120.200 -0.058 0.000 2.496 21 E HA 0.356 4.710 4.350 0.007 0.000 0.202 21 E C -0.012 176.519 176.600 -0.114 0.000 1.021 21 E CA -0.480 55.862 56.400 -0.095 0.000 1.015 21 E CB 0.553 30.180 29.700 -0.122 0.000 1.102 21 E HN 0.193 nan 8.360 nan 0.000 0.452 22 S N 0.205 115.861 115.700 -0.074 0.000 2.787 22 S HA 0.287 4.760 4.470 0.007 0.000 0.255 22 S C 0.651 175.226 174.600 -0.041 0.000 1.051 22 S CA -0.100 58.061 58.200 -0.065 0.000 1.124 22 S CB 0.861 64.032 63.200 -0.049 0.000 1.104 22 S HN 0.467 nan 8.310 nan 0.000 0.623 23 A N 3.917 126.718 122.820 -0.031 0.000 2.555 23 A HA 0.349 4.673 4.320 0.007 0.000 0.233 23 A C -2.284 175.288 177.584 -0.020 0.000 1.060 23 A CA -0.413 51.615 52.037 -0.015 0.000 0.759 23 A CB -0.370 18.626 19.000 -0.007 0.000 0.995 23 A HN 0.183 nan 8.150 nan 0.000 0.506 24 P HA 0.280 nan 4.420 nan 0.000 0.274 24 P C -0.074 177.208 177.300 -0.030 0.000 1.237 24 P CA -0.181 62.901 63.100 -0.030 0.000 0.793 24 P CB 0.480 32.170 31.700 -0.017 0.000 0.977 25 I N 0.550 121.083 120.570 -0.062 0.000 3.246 25 I HA 0.092 4.266 4.170 0.007 0.000 0.280 25 I C 1.453 177.558 176.117 -0.020 0.000 1.239 25 I CA 0.707 61.978 61.300 -0.048 0.000 1.336 25 I CB 0.150 38.075 38.000 -0.125 0.000 1.383 25 I HN 0.470 nan 8.210 nan 0.000 0.617 26 T N 0.142 114.709 114.554 0.022 0.000 2.907 26 T HA 0.567 4.921 4.350 0.007 0.000 0.290 26 T C 0.727 175.478 174.700 0.084 0.000 1.066 26 T CA -0.273 61.854 62.100 0.046 0.000 1.012 26 T CB 1.647 70.554 68.868 0.066 0.000 1.184 26 T HN 0.604 nan 8.240 nan 0.000 0.522 27 A N 0.489 123.375 122.820 0.110 0.000 1.927 27 A HA -0.157 4.167 4.320 0.007 0.000 0.220 27 A C 2.227 179.972 177.584 0.268 0.000 1.185 27 A CA 1.989 54.133 52.037 0.179 0.000 0.639 27 A CB -1.156 17.965 19.000 0.202 0.000 0.820 27 A HN 0.891 nan 8.150 nan 0.000 0.451 28 E N 0.371 120.727 120.200 0.261 0.000 2.085 28 E HA -0.181 4.173 4.350 0.007 0.000 0.194 28 E C 1.109 177.903 176.600 0.324 0.000 0.994 28 E CA 1.293 57.890 56.400 0.328 0.000 0.801 28 E CB -0.428 29.408 29.700 0.226 0.000 0.743 28 E HN 0.583 nan 8.360 nan 0.000 0.453 29 D N -0.240 120.291 120.400 0.219 0.000 2.403 29 D HA -0.075 4.568 4.640 0.007 0.000 0.227 29 D C 1.645 178.078 176.300 0.223 0.000 0.995 29 D CA 0.320 54.439 54.000 0.199 0.000 0.928 29 D CB 0.009 40.888 40.800 0.131 0.000 0.887 29 D HN 0.007 nan 8.370 nan 0.000 0.529 30 S N -0.836 114.989 115.700 0.208 0.000 2.395 30 S HA -0.093 4.381 4.470 0.007 0.000 0.225 30 S C 1.479 176.058 174.600 -0.036 0.000 1.027 30 S CA 0.425 58.688 58.200 0.104 0.000 0.965 30 S CB -0.103 63.094 63.200 -0.005 0.000 0.812 30 S HN 0.336 nan 8.310 nan 0.000 0.482 31 W N 1.977 123.398 121.300 0.201 0.000 2.519 31 W HA 0.222 4.886 4.660 0.007 0.000 0.266 31 W C 2.483 179.135 176.519 0.222 0.000 1.253 31 W CA 0.371 57.831 57.345 0.191 0.000 1.274 31 W CB -0.581 28.994 29.460 0.193 0.000 1.114 31 W HN 0.316 nan 8.180 nan 0.000 0.596 32 A N 0.326 123.372 122.820 0.376 0.000 1.892 32 A HA -0.210 4.114 4.320 0.007 0.000 0.218 32 A C 2.037 179.802 177.584 0.300 0.000 1.188 32 A CA 2.464 54.692 52.037 0.319 0.000 0.631 32 A CB -1.073 18.092 19.000 0.275 0.000 0.822 32 A HN 0.114 nan 8.150 nan 0.000 0.447 33 V N -0.151 119.926 119.914 0.272 0.000 2.453 33 V HA -0.209 3.915 4.120 0.007 0.000 0.247 33 V C 2.393 178.603 176.094 0.194 0.000 1.048 33 V CA 1.828 64.293 62.300 0.275 0.000 1.049 33 V CB -0.685 31.310 31.823 0.286 0.000 0.672 33 V HN 0.554 nan 8.190 nan 0.000 0.457 34 I N -0.086 120.505 120.570 0.034 0.000 2.142 34 I HA -0.217 3.957 4.170 0.007 0.000 0.240 34 I C 2.637 178.724 176.117 -0.051 0.000 1.078 34 I CA 1.566 62.771 61.300 -0.158 0.000 1.343 34 I CB -0.660 37.182 38.000 -0.264 0.000 1.046 34 I HN 0.168 nan 8.210 nan 0.000 0.405 35 S N 0.661 116.462 115.700 0.168 0.000 2.393 35 S HA -0.347 4.127 4.470 0.007 0.000 0.234 35 S C 2.209 176.978 174.600 0.281 0.000 1.064 35 S CA 1.854 60.272 58.200 0.362 0.000 1.088 35 S CB -0.583 62.885 63.200 0.447 0.000 0.939 35 S HN 0.597 nan 8.310 nan 0.000 0.448 36 A N 0.602 123.584 122.820 0.270 0.000 1.873 36 A HA 0.108 4.432 4.320 0.007 0.000 0.215 36 A C 0.987 178.707 177.584 0.226 0.000 1.186 36 A CA 0.624 52.836 52.037 0.291 0.000 0.616 36 A CB -0.632 18.590 19.000 0.370 0.000 0.823 36 A HN 0.447 nan 8.150 nan 0.000 0.442 37 F N -1.781 118.092 119.950 -0.128 0.000 2.532 37 F HA 0.301 4.831 4.527 0.006 0.000 0.323 37 F C 1.006 176.588 175.800 -0.363 0.000 1.234 37 F CA 1.082 58.625 58.000 -0.763 0.000 1.323 37 F CB 0.092 38.254 39.000 -1.397 0.000 1.183 37 F HN 0.435 nan 8.300 nan 0.000 0.589 38 F N -0.610 118.966 119.950 -0.623 0.000 2.532 38 F HA -0.440 4.091 4.527 0.007 0.000 0.720 38 F C 2.258 177.993 175.800 -0.107 0.000 0.486 38 F CA 1.307 59.175 58.000 -0.219 0.000 0.788 38 F CB -1.180 37.816 39.000 -0.008 0.000 1.642 38 F HN 0.483 nan 8.300 nan 0.000 0.271 39 R N 0.749 121.371 120.500 0.204 0.000 2.154 39 R HA -0.221 4.123 4.340 0.007 0.000 0.248 39 R C 1.755 178.080 176.300 0.042 0.000 1.155 39 R CA 2.258 58.438 56.100 0.133 0.000 0.979 39 R CB -0.280 30.118 30.300 0.163 0.000 0.869 39 R HN 0.568 nan 8.270 nan 0.000 0.452 40 E N -0.772 119.401 120.200 -0.045 0.000 2.307 40 E HA -0.029 4.325 4.350 0.007 0.000 0.195 40 E C 1.048 177.546 176.600 -0.170 0.000 0.975 40 E CA 0.362 56.715 56.400 -0.078 0.000 0.878 40 E CB 0.500 30.185 29.700 -0.024 0.000 0.845 40 E HN 0.222 nan 8.360 nan 0.000 0.488 41 K N -0.423 119.783 120.400 -0.323 0.000 2.399 41 K HA 0.193 4.517 4.320 0.007 0.000 0.196 41 K C 1.011 177.528 176.600 -0.138 0.000 1.103 41 K CA 0.532 56.617 56.287 -0.337 0.000 0.986 41 K CB 1.497 33.549 32.500 -0.747 0.000 0.952 41 K HN 0.150 nan 8.250 nan 0.000 0.541 42 G N 2.091 110.877 108.800 -0.023 0.000 2.552 42 G HA2 -0.323 3.641 3.960 0.007 0.000 0.265 42 G HA3 -0.323 3.641 3.960 0.007 0.000 0.265 42 G C 0.327 175.290 174.900 0.105 0.000 1.234 42 G CA 0.030 45.161 45.100 0.052 0.000 0.944 42 G HN 0.186 nan 8.290 nan 0.000 0.568 43 L N 0.310 121.561 121.223 0.046 0.000 2.817 43 L HA 0.302 4.646 4.340 0.007 0.000 0.248 43 L C 1.794 178.684 176.870 0.033 0.000 1.133 43 L CA 0.872 55.742 54.840 0.050 0.000 0.935 43 L CB 0.923 42.976 42.059 -0.011 0.000 1.266 43 L HN 0.809 nan 8.230 nan 0.000 0.535 44 V N -5.083 114.834 119.914 0.006 0.000 3.166 44 V HA 0.150 4.274 4.120 0.007 0.000 0.332 44 V C 1.834 177.909 176.094 -0.031 0.000 1.434 44 V CA 0.369 62.659 62.300 -0.018 0.000 1.121 44 V CB 0.047 31.854 31.823 -0.027 0.000 1.062 44 V HN 0.293 nan 8.190 nan 0.000 0.489 45 S N 2.675 118.353 115.700 -0.036 0.000 2.393 45 S HA -0.449 4.024 4.470 0.007 0.000 0.234 45 S C 1.867 176.440 174.600 -0.044 0.000 1.064 45 S CA 2.675 60.840 58.200 -0.058 0.000 1.088 45 S CB -0.755 62.378 63.200 -0.111 0.000 0.939 45 S HN 0.854 nan 8.310 nan 0.000 0.448 46 Q N 0.943 120.713 119.800 -0.050 0.000 2.119 46 Q HA -0.004 4.340 4.340 0.007 0.000 0.201 46 Q C 2.285 178.276 176.000 -0.015 0.000 0.972 46 Q CA 1.349 57.126 55.803 -0.042 0.000 0.847 46 Q CB -0.567 28.134 28.738 -0.063 0.000 0.903 46 Q HN 0.507 nan 8.270 nan 0.000 0.433 47 Q N 0.903 120.687 119.800 -0.027 0.000 1.993 47 Q HA -0.062 4.282 4.340 0.007 0.000 0.202 47 Q C 2.344 178.347 176.000 0.006 0.000 0.984 47 Q CA 1.452 57.237 55.803 -0.031 0.000 0.837 47 Q CB -0.478 28.209 28.738 -0.084 0.000 0.902 47 Q HN 0.465 nan 8.270 nan 0.000 0.423 48 L N 0.897 122.113 121.223 -0.011 0.000 2.042 48 L HA -0.235 4.109 4.340 0.007 0.000 0.210 48 L C 2.015 178.944 176.870 0.098 0.000 1.076 48 L CA 1.303 56.165 54.840 0.036 0.000 0.749 48 L CB -0.622 41.437 42.059 0.000 0.000 0.893 48 L HN 0.139 nan 8.230 nan 0.000 0.432 49 D N -0.696 119.740 120.400 0.061 0.000 2.117 49 D HA -0.160 4.484 4.640 0.007 0.000 0.198 49 D C 2.395 178.755 176.300 0.099 0.000 0.982 49 D CA 1.402 55.445 54.000 0.071 0.000 0.828 49 D CB -0.101 40.724 40.800 0.042 0.000 0.967 49 D HN 0.101 nan 8.370 nan 0.000 0.464 50 S N -0.662 115.098 115.700 0.100 0.000 2.353 50 S HA -0.195 4.279 4.470 0.007 0.000 0.222 50 S C 1.874 176.588 174.600 0.189 0.000 1.035 50 S CA 0.902 59.175 58.200 0.122 0.000 1.025 50 S CB -0.491 62.770 63.200 0.101 0.000 0.902 50 S HN 0.246 nan 8.310 nan 0.000 0.440 51 F N 2.874 122.869 119.950 0.076 0.000 2.113 51 F HA -0.028 4.503 4.527 0.007 0.000 0.297 51 F C 2.145 178.053 175.800 0.180 0.000 1.103 51 F CA 1.773 59.851 58.000 0.130 0.000 1.248 51 F CB -0.666 38.374 39.000 0.067 0.000 0.999 51 F HN 0.231 nan 8.300 nan 0.000 0.475 52 N N 0.536 119.348 118.700 0.187 0.000 2.149 52 N HA -0.251 4.492 4.740 0.007 0.000 0.188 52 N C 1.823 177.357 175.510 0.040 0.000 1.019 52 N CA 1.507 54.600 53.050 0.071 0.000 0.857 52 N CB -0.689 37.868 38.487 0.117 0.000 0.997 52 N HN 0.410 nan 8.380 nan 0.000 0.426 53 Q N 0.267 120.128 119.800 0.103 0.000 2.096 53 Q HA -0.098 4.246 4.340 0.007 0.000 0.204 53 Q C 1.872 177.941 176.000 0.115 0.000 0.982 53 Q CA 1.235 57.128 55.803 0.150 0.000 0.850 53 Q CB -0.556 28.246 28.738 0.106 0.000 0.901 53 Q HN 0.411 nan 8.270 nan 0.000 0.422 54 F N -0.556 119.325 119.950 -0.115 0.000 2.084 54 F HA -0.131 4.400 4.527 0.007 0.000 0.296 54 F C 1.769 177.394 175.800 -0.293 0.000 1.111 54 F CA 1.573 59.457 58.000 -0.195 0.000 1.224 54 F CB -0.528 38.318 39.000 -0.258 0.000 0.991 54 F HN -0.024 nan 8.300 nan 0.000 0.471 55 V N 0.799 120.397 119.914 -0.528 0.000 2.295 55 V HA -0.299 3.825 4.120 0.007 0.000 0.246 55 V C 1.964 177.787 176.094 -0.451 0.000 1.049 55 V CA 2.308 64.250 62.300 -0.597 0.000 1.024 55 V CB -0.798 30.781 31.823 -0.407 0.000 0.648 55 V HN 0.317 nan 8.190 nan 0.000 0.447 56 D N -2.069 118.153 120.400 -0.296 0.000 2.277 56 D HA -0.052 4.592 4.640 0.007 0.000 0.208 56 D C 1.537 177.453 176.300 -0.639 0.000 0.962 56 D CA 1.319 55.080 54.000 -0.399 0.000 0.865 56 D CB 0.180 40.790 40.800 -0.316 0.000 0.939 56 D HN 0.618 nan 8.370 nan 0.000 0.510 57 Y N -0.840 119.328 120.300 -0.221 0.000 3.087 57 Y HA 0.016 4.570 4.550 0.006 0.000 0.227 57 Y C 2.345 178.119 175.900 -0.210 0.000 1.015 57 Y CA 0.319 58.317 58.100 -0.171 0.000 1.399 57 Y CB -0.211 38.191 38.460 -0.098 0.000 1.483 57 Y HN -0.178 nan 8.280 nan 0.000 0.420 58 T N 1.276 115.787 114.554 -0.073 0.000 2.915 58 T HA -0.130 4.224 4.350 0.007 0.000 0.269 58 T C 1.764 176.281 174.700 -0.306 0.000 1.071 58 T CA 1.154 63.187 62.100 -0.111 0.000 1.132 58 T CB -0.307 68.573 68.868 0.020 0.000 0.878 58 T HN 0.039 nan 8.240 nan 0.000 0.479 59 L N 1.309 122.162 121.223 -0.616 0.000 2.056 59 L HA 0.037 4.381 4.340 0.007 0.000 0.207 59 L C 2.599 179.216 176.870 -0.422 0.000 1.078 59 L CA 1.678 56.079 54.840 -0.730 0.000 0.749 59 L CB -0.990 40.494 42.059 -0.959 0.000 0.901 59 L HN 0.100 nan 8.230 nan 0.000 0.433 60 Q N -0.404 119.201 119.800 -0.326 0.000 2.248 60 Q HA -0.208 4.136 4.340 0.007 0.000 0.208 60 Q C 1.432 177.352 176.000 -0.132 0.000 0.984 60 Q CA 2.131 57.802 55.803 -0.220 0.000 0.875 60 Q CB -0.122 28.506 28.738 -0.184 0.000 0.910 60 Q HN 0.617 nan 8.270 nan 0.000 0.433 61 D N -1.038 119.304 120.400 -0.096 0.000 2.324 61 D HA -0.006 4.638 4.640 0.007 0.000 0.212 61 D C 1.570 177.882 176.300 0.020 0.000 0.984 61 D CA 0.203 54.192 54.000 -0.019 0.000 0.885 61 D CB 0.003 40.807 40.800 0.008 0.000 0.996 61 D HN 0.260 nan 8.370 nan 0.000 0.505 62 I N 0.973 121.553 120.570 0.016 0.000 2.423 62 I HA -0.176 3.998 4.170 0.007 0.000 0.254 62 I C 2.212 178.375 176.117 0.076 0.000 1.151 62 I CA 0.706 62.072 61.300 0.110 0.000 1.421 62 I CB -0.710 37.438 38.000 0.248 0.000 1.079 62 I HN -0.044 nan 8.210 nan 0.000 0.431 63 I N 0.093 120.616 120.570 -0.078 0.000 2.439 63 I HA -0.146 4.028 4.170 0.007 0.000 0.251 63 I C 1.020 177.227 176.117 0.150 0.000 1.139 63 I CA 0.798 62.019 61.300 -0.131 0.000 1.438 63 I CB 0.053 37.886 38.000 -0.279 0.000 1.085 63 I HN 0.174 nan 8.210 nan 0.000 0.427 64 C N 1.935 121.303 119.300 0.114 0.000 2.341 64 C HA 0.580 5.044 4.460 0.007 0.000 0.338 64 C C 0.947 176.018 174.990 0.134 0.000 1.257 64 C CA -0.214 58.887 59.018 0.138 0.000 1.883 64 C CB 0.789 28.577 27.740 0.080 0.000 2.334 64 C HN 0.652 nan 8.230 nan 0.000 0.524 65 E N 1.888 122.173 120.200 0.141 0.000 3.333 65 E HA -0.190 4.164 4.350 0.007 0.000 0.137 65 E C 0.888 177.552 176.600 0.107 0.000 0.733 65 E CA 0.979 57.441 56.400 0.105 0.000 2.977 65 E CB -1.581 28.168 29.700 0.080 0.000 1.291 65 E HN 0.578 nan 8.360 nan 0.000 0.736 66 D N 1.902 122.369 120.400 0.113 0.000 2.123 66 D HA -0.174 4.470 4.640 0.007 0.000 0.196 66 D C 1.820 178.198 176.300 0.131 0.000 0.992 66 D CA 3.325 57.390 54.000 0.108 0.000 0.833 66 D CB -0.125 40.732 40.800 0.096 0.000 0.954 66 D HN 0.386 nan 8.370 nan 0.000 0.455 67 S N -0.456 115.352 115.700 0.179 0.000 2.457 67 S HA -0.266 4.208 4.470 0.007 0.000 0.269 67 S C 1.174 175.993 174.600 0.364 0.000 1.139 67 S CA 2.220 60.608 58.200 0.312 0.000 1.176 67 S CB -1.357 62.081 63.200 0.396 0.000 1.088 67 S HN 0.429 nan 8.310 nan 0.000 0.443 68 T N 1.715 116.385 114.554 0.193 0.000 2.851 68 T HA 0.516 4.870 4.350 0.007 0.000 0.298 68 T C -0.655 174.046 174.700 0.002 0.000 0.977 68 T CA -0.458 61.675 62.100 0.054 0.000 1.126 68 T CB -0.002 68.879 68.868 0.022 0.000 0.916 68 T HN 0.359 nan 8.240 nan 0.000 0.529 69 L N 5.936 127.090 121.223 -0.116 0.000 2.356 69 L HA 0.747 5.091 4.340 0.007 0.000 0.277 69 L C -0.578 176.115 176.870 -0.296 0.000 0.996 69 L CA -0.826 53.895 54.840 -0.199 0.000 0.822 69 L CB 1.795 43.680 42.059 -0.290 0.000 1.256 69 L HN 0.596 nan 8.230 nan 0.000 0.413 91 S N 3.656 119.111 115.700 -0.409 0.000 2.500 91 S HA 0.855 5.329 4.470 0.007 0.000 0.301 91 S C -0.612 173.768 174.600 -0.367 0.000 1.092 91 S CA -0.537 57.432 58.200 -0.385 0.000 1.030 91 S CB 2.026 65.135 63.200 -0.151 0.000 1.031 91 S HN 0.142 nan 8.310 nan 0.000 0.483 92 F N 1.456 121.431 119.950 0.041 0.000 2.370 92 F HA 0.756 5.287 4.527 0.007 0.000 0.319 92 F C 1.416 177.225 175.800 0.015 0.000 1.129 92 F CA 0.304 58.336 58.000 0.052 0.000 1.109 92 F CB 1.137 40.211 39.000 0.124 0.000 1.262 92 F HN 1.010 nan 8.300 nan 0.000 0.534 93 G N 0.016 108.930 108.800 0.190 0.000 3.003 93 G HA2 0.256 4.220 3.960 0.007 0.000 0.243 93 G HA3 0.256 4.220 3.960 0.007 0.000 0.243 93 G C -1.335 173.528 174.900 -0.061 0.000 1.176 93 G CA -0.936 44.193 45.100 0.048 0.000 0.812 93 G HN 0.366 nan 8.290 nan 0.000 0.584 94 K N 0.338 120.652 120.400 -0.144 0.000 2.472 94 K HA 0.097 4.421 4.320 0.007 0.000 0.280 94 K C -0.611 175.636 176.600 -0.589 0.000 1.028 94 K CA -0.044 56.045 56.287 -0.331 0.000 1.045 94 K CB 0.656 32.959 32.500 -0.328 0.000 0.902 94 K HN 0.280 nan 8.250 nan 0.000 0.478 95 I N 4.703 124.974 120.570 -0.500 0.000 2.428 95 I HA 0.123 4.297 4.170 0.007 0.000 0.289 95 I C -1.087 174.720 176.117 -0.516 0.000 1.019 95 I CA -0.111 60.918 61.300 -0.453 0.000 1.351 95 I CB 0.390 38.200 38.000 -0.317 0.000 1.412 95 I HN 0.391 nan 8.210 nan 0.000 0.513 96 Y N 5.934 126.259 120.300 0.041 0.000 2.341 96 Y HA 0.592 5.146 4.550 0.006 0.000 0.338 96 Y C -0.423 175.539 175.900 0.103 0.000 0.965 96 Y CA -1.272 56.865 58.100 0.061 0.000 1.108 96 Y CB 1.610 40.128 38.460 0.097 0.000 1.180 96 Y HN 0.283 nan 8.280 nan 0.000 0.458 97 V N 0.748 120.775 119.914 0.189 0.000 2.459 97 V HA 0.539 4.663 4.120 0.007 0.000 0.295 97 V C 0.006 176.166 176.094 0.110 0.000 1.029 97 V CA -0.920 61.453 62.300 0.122 0.000 0.874 97 V CB 1.034 32.859 31.823 0.004 0.000 0.985 97 V HN 0.825 nan 8.190 nan 0.000 0.438 98 T N 2.738 117.370 114.554 0.131 0.000 2.770 98 T HA 0.394 4.748 4.350 0.007 0.000 0.281 98 T C 0.114 174.789 174.700 -0.042 0.000 0.981 98 T CA -0.823 61.310 62.100 0.056 0.000 0.955 98 T CB 0.557 69.487 68.868 0.103 0.000 1.060 98 T HN 0.616 nan 8.240 nan 0.000 0.531 99 K N 1.145 121.486 120.400 -0.098 0.000 2.126 99 K HA 0.373 4.696 4.320 0.007 0.000 0.257 99 K C -2.582 173.903 176.600 -0.192 0.000 1.007 99 K CA -2.492 53.633 56.287 -0.271 0.000 0.928 99 K CB -0.270 32.013 32.500 -0.362 0.000 1.013 99 K HN 0.297 nan 8.250 nan 0.000 0.473 100 P HA 0.218 nan 4.420 nan 0.000 0.269 100 P C -0.455 176.837 177.300 -0.013 0.000 1.215 100 P CA 0.168 63.149 63.100 -0.198 0.000 0.780 100 P CB 0.573 31.994 31.700 -0.464 0.000 0.898 101 M N 0.159 119.742 119.600 -0.028 0.000 2.949 101 M HA 0.428 4.912 4.480 0.007 0.000 0.270 101 M C -1.482 174.783 176.300 -0.059 0.000 1.221 101 M CA -0.889 54.377 55.300 -0.057 0.000 0.818 101 M CB 2.231 34.812 32.600 -0.033 0.000 1.635 101 M HN 0.001 nan 8.290 nan 0.000 0.492 102 V N -1.057 118.790 119.914 -0.111 0.000 2.888 102 V HA 0.571 4.695 4.120 0.007 0.000 0.309 102 V C -1.183 174.901 176.094 -0.016 0.000 1.114 102 V CA -0.868 61.398 62.300 -0.056 0.000 0.940 102 V CB 1.950 33.737 31.823 -0.059 0.000 1.021 102 V HN 0.830 nan 8.190 nan 0.000 0.426 103 N N 2.935 121.636 118.700 0.002 0.000 2.558 103 N HA 0.217 4.961 4.740 0.007 0.000 0.233 103 N C -0.453 175.078 175.510 0.035 0.000 1.038 103 N CA -0.307 52.751 53.050 0.014 0.000 0.934 103 N CB 1.149 39.626 38.487 -0.017 0.000 1.175 103 N HN 0.729 nan 8.380 nan 0.000 0.512 104 E N 1.252 121.494 120.200 0.069 0.000 2.292 104 E HA -0.023 4.331 4.350 0.007 0.000 0.265 104 E C 0.323 176.944 176.600 0.035 0.000 1.093 104 E CA -0.016 56.425 56.400 0.069 0.000 0.922 104 E CB 0.447 30.208 29.700 0.102 0.000 1.001 104 E HN 0.477 nan 8.360 nan 0.000 0.444 105 S N 3.620 119.332 115.700 0.020 0.000 2.673 105 S HA -0.132 4.342 4.470 0.007 0.000 0.308 105 S C 0.184 174.788 174.600 0.006 0.000 1.246 105 S CA -0.265 57.939 58.200 0.007 0.000 1.077 105 S CB 0.141 63.337 63.200 -0.007 0.000 0.814 105 S HN 0.539 nan 8.310 nan 0.000 0.503 106 D N 1.828 122.232 120.400 0.005 0.000 3.729 106 D HA 0.074 4.718 4.640 0.007 0.000 0.242 106 D C 0.287 176.592 176.300 0.007 0.000 1.091 106 D CA 2.279 56.282 54.000 0.004 0.000 1.096 106 D CB -1.207 39.594 40.800 0.001 0.000 0.901 106 D HN 1.446 nan 8.370 nan 0.000 0.416 107 G N -1.333 107.473 108.800 0.010 0.000 2.350 107 G HA2 0.379 4.343 3.960 0.007 0.000 0.282 107 G HA3 0.379 4.343 3.960 0.007 0.000 0.282 107 G C -0.171 174.741 174.900 0.020 0.000 1.314 107 G CA -0.243 44.863 45.100 0.011 0.000 0.915 107 G HN 0.839 nan 8.290 nan 0.000 0.499 108 V N -1.054 118.875 119.914 0.025 0.000 3.489 108 V HA 0.745 4.869 4.120 0.007 0.000 0.297 108 V C 1.018 177.162 176.094 0.082 0.000 1.071 108 V CA 0.293 62.615 62.300 0.038 0.000 1.074 108 V CB 1.316 33.153 31.823 0.023 0.000 1.188 108 V HN 1.304 nan 8.190 nan 0.000 0.458 109 T N 0.815 115.419 114.554 0.082 0.000 2.792 109 T HA 0.661 5.015 4.350 0.007 0.000 0.280 109 T C -0.724 174.066 174.700 0.149 0.000 0.990 109 T CA -0.433 61.723 62.100 0.092 0.000 0.960 109 T CB 0.238 69.120 68.868 0.023 0.000 0.939 109 T HN 1.195 nan 8.240 nan 0.000 0.439 110 H N 1.847 120.913 119.070 -0.006 0.000 2.941 110 H HA 0.814 5.374 4.556 0.006 0.000 0.344 110 H C -0.205 175.103 175.328 -0.033 0.000 1.235 110 H CA -1.247 54.792 56.048 -0.016 0.000 1.149 110 H CB 1.003 30.757 29.762 -0.013 0.000 1.885 110 H HN 0.733 nan 8.280 nan 0.000 0.558 111 A N 1.142 123.891 122.820 -0.119 0.000 2.540 111 A HA 0.301 4.625 4.320 0.007 0.000 0.239 111 A C -0.505 176.783 177.584 -0.493 0.000 1.061 111 A CA -0.134 51.719 52.037 -0.306 0.000 0.758 111 A CB -0.470 18.242 19.000 -0.479 0.000 0.991 111 A HN 0.601 nan 8.150 nan 0.000 0.502 112 L N 4.084 125.103 121.223 -0.341 0.000 2.295 112 L HA 0.561 4.905 4.340 0.007 0.000 0.281 112 L C -1.019 175.842 176.870 -0.014 0.000 1.018 112 L CA -0.214 54.517 54.840 -0.182 0.000 0.841 112 L CB 0.306 42.352 42.059 -0.022 0.000 1.218 112 L HN 0.642 nan 8.230 nan 0.000 0.424 113 Y N 5.818 126.167 120.300 0.083 0.000 2.316 113 Y HA 0.343 4.897 4.550 0.006 0.000 0.324 113 Y C -1.367 174.483 175.900 -0.084 0.000 1.267 113 Y CA -1.460 56.666 58.100 0.044 0.000 1.311 113 Y CB 0.475 38.892 38.460 -0.072 0.000 1.267 113 Y HN 0.541 nan 8.280 nan 0.000 0.516 114 P HA -0.203 nan 4.420 nan 0.000 0.217 114 P C 1.347 178.598 177.300 -0.081 0.000 1.150 114 P CA 1.262 64.150 63.100 -0.354 0.000 0.832 114 P CB 0.294 31.715 31.700 -0.465 0.000 0.787 115 Q N 0.612 120.406 119.800 -0.009 0.000 2.045 115 Q HA -0.246 4.098 4.340 0.007 0.000 0.206 115 Q C 2.153 178.185 176.000 0.054 0.000 0.991 115 Q CA 1.999 57.814 55.803 0.020 0.000 0.851 115 Q CB -1.122 27.622 28.738 0.010 0.000 0.911 115 Q HN 0.264 nan 8.270 nan 0.000 0.418 116 E N -1.237 119.016 120.200 0.088 0.000 2.130 116 E HA -0.239 4.115 4.350 0.007 0.000 0.196 116 E C 1.657 178.322 176.600 0.108 0.000 0.998 116 E CA 1.203 57.670 56.400 0.110 0.000 0.806 116 E CB -0.238 29.548 29.700 0.143 0.000 0.738 116 E HN 0.452 nan 8.360 nan 0.000 0.459 117 A N 0.842 123.717 122.820 0.092 0.000 1.897 117 A HA -0.128 4.196 4.320 0.007 0.000 0.215 117 A C 2.119 179.767 177.584 0.108 0.000 1.181 117 A CA 1.247 53.348 52.037 0.107 0.000 0.620 117 A CB -0.352 18.721 19.000 0.121 0.000 0.821 117 A HN 0.144 nan 8.150 nan 0.000 0.443 118 R N -0.650 119.901 120.500 0.084 0.000 2.083 118 R HA -0.090 4.254 4.340 0.007 0.000 0.237 118 R C 2.070 178.435 176.300 0.109 0.000 1.137 118 R CA 1.642 57.796 56.100 0.089 0.000 0.951 118 R CB -0.540 29.800 30.300 0.067 0.000 0.851 118 R HN 0.502 nan 8.270 nan 0.000 0.434 119 L N 0.342 121.630 121.223 0.107 0.000 2.027 119 L HA -0.122 4.222 4.340 0.007 0.000 0.206 119 L C 1.935 178.950 176.870 0.241 0.000 1.074 119 L CA 1.267 56.183 54.840 0.127 0.000 0.745 119 L CB -0.236 41.878 42.059 0.092 0.000 0.898 119 L HN 0.070 nan 8.230 nan 0.000 0.433 120 R N 0.734 121.377 120.500 0.240 0.000 2.346 120 R HA 0.052 4.396 4.340 0.007 0.000 0.225 120 R C -0.224 176.190 176.300 0.189 0.000 0.987 120 R CA 0.012 56.292 56.100 0.301 0.000 1.106 120 R CB -1.071 29.332 30.300 0.172 0.000 1.090 120 R HN 0.448 nan 8.270 nan 0.000 0.502 121 N N 1.274 120.135 118.700 0.269 0.000 2.686 121 N HA -0.201 4.543 4.740 0.007 0.000 0.261 121 N C -0.676 174.869 175.510 0.058 0.000 1.001 121 N CA 0.045 53.187 53.050 0.153 0.000 0.764 121 N CB -0.553 38.037 38.487 0.172 0.000 0.898 121 N HN 0.274 nan 8.380 nan 0.000 0.544 122 L N -0.654 120.620 121.223 0.085 0.000 2.341 122 L HA 0.552 4.896 4.340 0.007 0.000 0.267 122 L C 0.642 177.577 176.870 0.109 0.000 1.022 122 L CA -0.672 54.213 54.840 0.075 0.000 0.844 122 L CB 1.564 43.670 42.059 0.078 0.000 1.436 122 L HN -0.032 nan 8.230 nan 0.000 0.483 123 T N -0.324 114.300 114.554 0.117 0.000 2.833 123 T HA 0.205 4.559 4.350 0.007 0.000 0.297 123 T C -0.819 174.001 174.700 0.199 0.000 1.015 123 T CA -0.241 61.948 62.100 0.149 0.000 0.963 123 T CB 0.233 69.166 68.868 0.109 0.000 0.955 123 T HN 0.198 nan 8.240 nan 0.000 0.449 124 Y N 4.823 125.175 120.300 0.088 0.000 2.730 124 Y HA 0.338 4.892 4.550 0.007 0.000 0.357 124 Y C 0.481 176.436 175.900 0.092 0.000 1.167 124 Y CA -0.536 57.614 58.100 0.083 0.000 1.579 124 Y CB -0.581 37.929 38.460 0.083 0.000 1.262 124 Y HN 0.607 nan 8.280 nan 0.000 0.510 125 S N 2.578 118.239 115.700 -0.065 0.000 2.548 125 S HA 0.697 5.171 4.470 0.007 0.000 0.276 125 S C -0.727 173.823 174.600 -0.084 0.000 1.129 125 S CA -0.987 57.175 58.200 -0.064 0.000 0.931 125 S CB 1.437 64.662 63.200 0.042 0.000 1.068 125 S HN 0.347 nan 8.310 nan 0.000 0.480 126 S N 1.135 116.795 115.700 -0.067 0.000 2.672 126 S HA 0.792 5.266 4.470 0.007 0.000 0.276 126 S C 0.552 175.204 174.600 0.086 0.000 1.207 126 S CA -0.407 57.781 58.200 -0.020 0.000 1.002 126 S CB 1.068 64.244 63.200 -0.040 0.000 0.998 126 S HN 1.103 nan 8.310 nan 0.000 0.542 127 G N 1.067 109.974 108.800 0.177 0.000 2.371 127 G HA2 0.551 4.515 3.960 0.007 0.000 0.326 127 G HA3 0.551 4.515 3.960 0.007 0.000 0.326 127 G C -0.966 174.066 174.900 0.220 0.000 1.127 127 G CA -0.533 44.734 45.100 0.279 0.000 0.885 127 G HN 0.425 nan 8.290 nan 0.000 0.477 128 L N 1.340 122.555 121.223 -0.014 0.000 2.326 128 L HA 0.555 4.899 4.340 0.007 0.000 0.278 128 L C -0.586 176.100 176.870 -0.307 0.000 1.092 128 L CA -0.454 54.326 54.840 -0.100 0.000 0.810 128 L CB 0.530 42.489 42.059 -0.167 0.000 1.153 128 L HN 0.354 nan 8.230 nan 0.000 0.439 129 F N 1.800 121.817 119.950 0.112 0.000 2.569 129 F HA 0.671 5.202 4.527 0.006 0.000 0.312 129 F C -0.057 175.780 175.800 0.061 0.000 1.109 129 F CA -0.779 57.326 58.000 0.175 0.000 0.919 129 F CB 2.247 41.427 39.000 0.301 0.000 1.211 129 F HN 0.052 nan 8.300 nan 0.000 0.446 130 V N 1.442 121.493 119.914 0.228 0.000 2.876 130 V HA 0.408 4.532 4.120 0.007 0.000 0.312 130 V C -1.005 175.191 176.094 0.169 0.000 1.085 130 V CA -1.126 61.228 62.300 0.090 0.000 0.945 130 V CB 2.266 34.152 31.823 0.105 0.000 1.017 130 V HN 0.558 nan 8.190 nan 0.000 0.428 131 D N 2.096 122.556 120.400 0.101 0.000 2.304 131 D HA 0.462 5.106 4.640 0.007 0.000 0.250 131 D C -0.663 175.719 176.300 0.136 0.000 1.107 131 D CA -0.032 54.048 54.000 0.133 0.000 0.885 131 D CB 2.312 43.170 40.800 0.095 0.000 1.192 131 D HN 0.249 nan 8.370 nan 0.000 0.436 132 V N 2.937 122.915 119.914 0.105 0.000 2.409 132 V HA 0.177 4.301 4.120 0.007 0.000 0.290 132 V C 0.027 176.111 176.094 -0.018 0.000 1.017 132 V CA -0.861 61.458 62.300 0.031 0.000 0.841 132 V CB 1.464 33.319 31.823 0.054 0.000 1.003 132 V HN 0.334 nan 8.190 nan 0.000 0.426 133 K N 4.321 124.686 120.400 -0.058 0.000 2.098 133 K HA 0.540 4.864 4.320 0.007 0.000 0.257 133 K C 0.203 176.752 176.600 -0.086 0.000 0.999 133 K CA -0.851 55.405 56.287 -0.052 0.000 0.924 133 K CB 1.124 33.598 32.500 -0.043 0.000 1.028 133 K HN 0.607 nan 8.250 nan 0.000 0.466 165 V N 2.209 122.362 119.914 0.398 0.000 2.851 165 V HA 0.530 4.654 4.120 0.007 0.000 0.307 165 V C -1.744 174.539 176.094 0.314 0.000 1.129 165 V CA -0.927 61.591 62.300 0.364 0.000 0.932 165 V CB 1.740 33.701 31.823 0.231 0.000 1.024 165 V HN 0.184 nan 8.190 nan 0.000 0.426 166 F N 8.478 128.437 119.950 0.014 0.000 2.391 166 F HA 0.706 5.237 4.527 0.006 0.000 0.359 166 F C -0.343 175.314 175.800 -0.238 0.000 1.122 166 F CA -0.671 57.069 58.000 -0.433 0.000 1.120 166 F CB 0.704 39.362 39.000 -0.570 0.000 1.142 166 F HN 0.393 nan 8.300 nan 0.000 0.483 167 I N 4.634 124.696 120.570 -0.848 0.000 2.664 167 I HA 0.479 4.652 4.170 0.007 0.000 0.308 167 I C 1.238 176.557 176.117 -1.331 0.000 0.984 167 I CA -0.920 59.859 61.300 -0.869 0.000 1.213 167 I CB 0.053 37.814 38.000 -0.398 0.000 1.379 167 I HN 0.777 nan 8.210 nan 0.000 0.501 168 G N 3.915 112.193 108.800 -0.870 0.000 4.641 168 G HA2 -0.215 3.748 3.960 0.007 0.000 0.782 168 G HA3 -0.215 3.748 3.960 0.007 0.000 0.782 168 G C 0.067 174.821 174.900 -0.244 0.000 1.363 168 G CA -0.311 44.508 45.100 -0.470 0.000 0.913 168 G HN 0.752 nan 8.290 nan 0.000 0.622 169 R N -0.727 119.785 120.500 0.019 0.000 2.460 169 R HA 0.484 4.827 4.340 0.007 0.000 0.303 169 R C -0.563 175.778 176.300 0.068 0.000 0.968 169 R CA -1.006 55.156 56.100 0.103 0.000 0.889 169 R CB 1.719 32.108 30.300 0.148 0.000 1.123 169 R HN 0.366 nan 8.270 nan 0.000 0.455 170 L N 4.257 125.524 121.223 0.073 0.000 2.264 170 L HA 0.446 4.790 4.340 0.007 0.000 0.289 170 L C -2.549 174.389 176.870 0.113 0.000 1.044 170 L CA -2.040 52.858 54.840 0.097 0.000 0.807 170 L CB 1.089 43.207 42.059 0.098 0.000 1.192 170 L HN 0.395 nan 8.230 nan 0.000 0.425 171 P HA 0.136 nan 4.420 nan 0.000 0.268 171 P C -0.983 176.479 177.300 0.270 0.000 1.208 171 P CA 0.171 63.344 63.100 0.121 0.000 0.777 171 P CB 0.468 32.163 31.700 -0.008 0.000 0.875 172 I N 2.989 123.690 120.570 0.218 0.000 2.436 172 I HA 0.304 4.478 4.170 0.007 0.000 0.289 172 I C 0.328 176.383 176.117 -0.103 0.000 1.010 172 I CA -0.843 60.500 61.300 0.071 0.000 1.098 172 I CB 1.465 39.347 38.000 -0.196 0.000 1.266 172 I HN 0.436 nan 8.210 nan 0.000 0.434 173 M N 6.218 125.333 119.600 -0.809 0.000 2.252 173 M HA 0.146 4.630 4.480 0.007 0.000 0.348 173 M C -0.933 175.020 176.300 -0.578 0.000 1.334 173 M CA -0.117 54.479 55.300 -1.174 0.000 1.071 173 M CB 0.446 32.048 32.600 -1.664 0.000 1.763 173 M HN 0.324 nan 8.290 nan 0.000 0.452 174 L N 5.530 126.418 121.223 -0.559 0.000 2.426 174 L HA 0.219 4.563 4.340 0.007 0.000 0.271 174 L C 1.134 177.820 176.870 -0.307 0.000 1.169 174 L CA 0.747 55.369 54.840 -0.364 0.000 0.836 174 L CB 0.544 42.202 42.059 -0.668 0.000 1.112 174 L HN 0.939 nan 8.230 nan 0.000 0.465 175 R N -0.122 120.295 120.500 -0.138 0.000 3.922 175 R HA -0.180 4.164 4.340 0.007 0.000 0.447 175 R C 0.467 176.727 176.300 -0.067 0.000 1.035 175 R CA 1.043 57.088 56.100 -0.091 0.000 1.289 175 R CB -1.371 28.861 30.300 -0.113 0.000 1.906 175 R HN 0.772 nan 8.270 nan 0.000 0.540 176 S N -0.460 115.193 115.700 -0.078 0.000 2.641 176 S HA 0.194 4.668 4.470 0.007 0.000 0.261 176 S C 1.232 175.859 174.600 0.045 0.000 1.257 176 S CA -0.006 58.202 58.200 0.013 0.000 0.983 176 S CB 1.136 64.364 63.200 0.047 0.000 0.990 176 S HN 0.336 nan 8.310 nan 0.000 0.572 177 K N 0.391 120.844 120.400 0.089 0.000 2.155 177 K HA -0.010 4.314 4.320 0.007 0.000 0.203 177 K C 1.558 178.163 176.600 0.010 0.000 1.052 177 K CA 1.379 57.693 56.287 0.045 0.000 0.948 177 K CB -0.311 32.215 32.500 0.044 0.000 0.728 177 K HN 0.599 nan 8.250 nan 0.000 0.448 178 N N -0.323 118.388 118.700 0.018 0.000 2.422 178 N HA -0.029 4.715 4.740 0.007 0.000 0.181 178 N C 0.188 175.584 175.510 -0.191 0.000 1.080 178 N CA -0.153 52.855 53.050 -0.070 0.000 0.893 178 N CB 0.438 38.899 38.487 -0.043 0.000 0.973 178 N HN 0.126 nan 8.380 nan 0.000 0.456 179 C N 0.287 119.518 119.300 -0.115 0.000 2.536 179 C HA 0.160 4.624 4.460 0.007 0.000 0.396 179 C C 1.666 176.645 174.990 -0.018 0.000 1.279 179 C CA -0.743 58.225 59.018 -0.084 0.000 2.148 179 C CB -0.724 27.086 27.740 0.116 0.000 2.584 179 C HN 0.488 nan 8.230 nan 0.000 0.579 180 Y N 2.708 123.147 120.300 0.231 0.000 2.151 180 Y HA -0.163 4.391 4.550 0.007 0.000 0.284 180 Y C 2.096 178.080 175.900 0.139 0.000 1.166 180 Y CA 2.012 60.243 58.100 0.218 0.000 1.163 180 Y CB -0.303 38.395 38.460 0.397 0.000 0.974 180 Y HN 0.653 nan 8.280 nan 0.000 0.511 181 L N -0.312 121.063 121.223 0.253 0.000 2.552 181 L HA -0.090 4.254 4.340 0.007 0.000 0.227 181 L C 2.357 179.261 176.870 0.055 0.000 1.146 181 L CA 0.835 55.745 54.840 0.116 0.000 0.858 181 L CB -0.801 41.289 42.059 0.051 0.000 0.969 181 L HN 0.223 nan 8.230 nan 0.000 0.451 182 S N 0.403 116.136 115.700 0.055 0.000 2.355 182 S HA -0.195 4.278 4.470 0.007 0.000 0.222 182 S C 1.723 176.340 174.600 0.028 0.000 1.031 182 S CA 1.108 59.324 58.200 0.025 0.000 0.993 182 S CB -0.350 62.863 63.200 0.022 0.000 0.859 182 S HN 0.478 nan 8.310 nan 0.000 0.453 183 E N 2.059 122.288 120.200 0.048 0.000 2.338 183 E HA 0.298 4.652 4.350 0.007 0.000 0.197 183 E C 0.751 177.371 176.600 0.033 0.000 1.007 183 E CA 0.643 57.069 56.400 0.043 0.000 0.849 183 E CB -0.248 29.489 29.700 0.062 0.000 0.774 183 E HN 0.705 nan 8.360 nan 0.000 0.506 184 A N 1.396 124.234 122.820 0.030 0.000 2.363 184 A HA 0.326 4.650 4.320 0.007 0.000 0.270 184 A C 0.510 178.081 177.584 -0.022 0.000 1.121 184 A CA -0.448 51.593 52.037 0.007 0.000 0.800 184 A CB 0.261 19.263 19.000 0.004 0.000 1.052 184 A HN 0.151 nan 8.150 nan 0.000 0.493 185 T N -0.631 113.907 114.554 -0.026 0.000 2.882 185 T HA 0.215 4.569 4.350 0.007 0.000 0.287 185 T C 0.939 175.603 174.700 -0.060 0.000 1.014 185 T CA 0.252 62.332 62.100 -0.034 0.000 1.049 185 T CB 1.040 69.898 68.868 -0.018 0.000 1.001 185 T HN 0.751 nan 8.240 nan 0.000 0.525 186 E N 0.795 120.953 120.200 -0.069 0.000 2.085 186 E HA -0.204 4.150 4.350 0.007 0.000 0.194 186 E C 2.096 178.664 176.600 -0.053 0.000 0.994 186 E CA 1.567 57.896 56.400 -0.117 0.000 0.801 186 E CB -0.334 29.309 29.700 -0.095 0.000 0.743 186 E HN 0.780 nan 8.360 nan 0.000 0.453 187 S N 0.690 116.408 115.700 0.029 0.000 2.359 187 S HA -0.216 4.258 4.470 0.007 0.000 0.224 187 S C 1.674 176.306 174.600 0.054 0.000 1.035 187 S CA 1.813 60.068 58.200 0.092 0.000 1.018 187 S CB -0.438 62.787 63.200 0.041 0.000 0.876 187 S HN 0.310 nan 8.310 nan 0.000 0.448 188 D N 1.201 121.593 120.400 -0.014 0.000 2.116 188 D HA -0.111 4.533 4.640 0.007 0.000 0.193 188 D C 2.031 178.279 176.300 -0.087 0.000 0.998 188 D CA 1.438 55.409 54.000 -0.049 0.000 0.836 188 D CB -0.425 40.342 40.800 -0.054 0.000 0.951 188 D HN 0.427 nan 8.370 nan 0.000 0.449 189 L N -0.255 120.884 121.223 -0.141 0.000 2.042 189 L HA -0.222 4.122 4.340 0.007 0.000 0.210 189 L C 2.565 179.307 176.870 -0.213 0.000 1.076 189 L CA 1.156 55.868 54.840 -0.214 0.000 0.749 189 L CB -0.597 41.275 42.059 -0.312 0.000 0.893 189 L HN 0.116 nan 8.230 nan 0.000 0.432 190 Y N -0.045 120.197 120.300 -0.096 0.000 2.128 190 Y HA -0.306 4.248 4.550 0.006 0.000 0.284 190 Y C 2.780 178.619 175.900 -0.101 0.000 1.154 190 Y CA 1.445 59.486 58.100 -0.097 0.000 1.149 190 Y CB -0.250 38.154 38.460 -0.093 0.000 0.976 190 Y HN 0.065 nan 8.280 nan 0.000 0.505 191 K N 0.613 121.045 120.400 0.055 0.000 2.113 191 K HA -0.200 4.124 4.320 0.007 0.000 0.208 191 K C 1.434 177.986 176.600 -0.080 0.000 1.047 191 K CA 1.472 57.746 56.287 -0.022 0.000 0.928 191 K CB -0.375 32.096 32.500 -0.047 0.000 0.716 191 K HN 0.329 nan 8.250 nan 0.000 0.446 192 L N 0.820 121.969 121.223 -0.124 0.000 2.612 192 L HA 0.063 4.407 4.340 0.007 0.000 0.230 192 L C 0.042 176.844 176.870 -0.114 0.000 1.140 192 L CA 0.250 54.982 54.840 -0.180 0.000 0.896 192 L CB -0.035 41.870 42.059 -0.256 0.000 1.065 192 L HN 0.130 nan 8.230 nan 0.000 0.447 193 K N 0.622 120.979 120.400 -0.073 0.000 3.096 193 K HA -0.172 4.152 4.320 0.007 0.000 0.266 193 K C -0.236 176.328 176.600 -0.061 0.000 1.043 193 K CA 0.468 56.724 56.287 -0.052 0.000 0.758 193 K CB -1.133 31.340 32.500 -0.046 0.000 1.260 193 K HN 0.214 nan 8.250 nan 0.000 0.481 194 E N 0.717 120.862 120.200 -0.091 0.000 2.241 194 E HA 0.121 4.474 4.350 0.007 0.000 0.263 194 E C -0.645 175.868 176.600 -0.145 0.000 0.882 194 E CA -0.603 55.746 56.400 -0.086 0.000 0.769 194 E CB 1.729 31.378 29.700 -0.084 0.000 1.185 194 E HN 0.320 nan 8.360 nan 0.000 0.415 195 C N 6.030 125.273 119.300 -0.095 0.000 2.596 195 C HA 0.091 4.555 4.460 0.007 0.000 0.414 195 C C -1.100 173.775 174.990 -0.192 0.000 1.396 195 C CA -0.925 58.022 59.018 -0.119 0.000 1.698 195 C CB -0.066 27.689 27.740 0.025 0.000 2.572 195 C HN 0.519 nan 8.230 nan 0.000 0.604 196 P HA 0.095 nan 4.420 nan 0.000 0.255 196 P C 0.405 177.447 177.300 -0.431 0.000 1.301 196 P CA 0.793 63.635 63.100 -0.431 0.000 0.817 196 P CB -0.185 31.141 31.700 -0.623 0.000 1.259 197 F N -0.314 119.578 119.950 -0.097 0.000 2.695 197 F HA 0.185 4.716 4.527 0.006 0.000 0.303 197 F C 1.082 176.966 175.800 0.140 0.000 1.091 197 F CA -0.435 57.547 58.000 -0.029 0.000 1.300 197 F CB 0.024 38.910 39.000 -0.190 0.000 1.071 197 F HN -0.122 nan 8.300 nan 0.000 0.578 198 D N 0.920 121.460 120.400 0.234 0.000 2.382 198 D HA 0.041 4.685 4.640 0.007 0.000 0.245 198 D C 1.191 177.598 176.300 0.177 0.000 1.120 198 D CA 0.190 54.331 54.000 0.236 0.000 0.890 198 D CB 0.754 41.660 40.800 0.176 0.000 1.201 198 D HN 0.026 nan 8.370 nan 0.000 0.433 199 M N 1.342 121.054 119.600 0.187 0.000 2.308 199 M HA 0.323 4.807 4.480 0.007 0.000 0.269 199 M C 0.846 177.175 176.300 0.048 0.000 1.040 199 M CA 0.225 55.591 55.300 0.110 0.000 1.024 199 M CB -0.773 31.882 32.600 0.091 0.000 1.465 199 M HN 0.404 nan 8.290 nan 0.000 0.517 200 G N 0.978 109.818 108.800 0.068 0.000 2.750 200 G HA2 0.126 4.090 3.960 0.007 0.000 0.228 200 G HA3 0.126 4.090 3.960 0.007 0.000 0.228 200 G C 0.525 175.351 174.900 -0.123 0.000 1.367 200 G CA 0.507 45.499 45.100 -0.181 0.000 0.871 200 G HN 1.555 nan 8.290 nan 0.000 0.560 201 G N -2.773 105.830 108.800 -0.328 0.000 2.179 201 G HA2 0.280 4.244 3.960 0.007 0.000 0.220 201 G HA3 0.280 4.244 3.960 0.007 0.000 0.220 201 G C 0.235 174.944 174.900 -0.319 0.000 0.990 201 G CA 1.327 46.268 45.100 -0.264 0.000 0.646 201 G HN 2.420 nan 8.290 nan 0.000 0.517 202 Y N -1.240 118.811 120.300 -0.414 0.000 2.605 202 Y HA 0.850 5.404 4.550 0.007 0.000 0.343 202 Y C -0.105 175.500 175.900 -0.492 0.000 1.036 202 Y CA -2.660 55.210 58.100 -0.384 0.000 1.065 202 Y CB 0.807 39.161 38.460 -0.176 0.000 1.288 202 Y HN -0.025 nan 8.280 nan 0.000 0.481 203 F N 0.816 120.817 119.950 0.085 0.000 2.461 203 F HA 0.697 5.228 4.527 0.006 0.000 0.337 203 F C -0.274 175.639 175.800 0.188 0.000 1.079 203 F CA -1.201 56.832 58.000 0.055 0.000 1.032 203 F CB 1.178 40.197 39.000 0.031 0.000 1.327 203 F HN 0.297 nan 8.300 nan 0.000 0.491 204 I N 3.131 123.928 120.570 0.379 0.000 2.476 204 I HA 0.284 4.458 4.170 0.007 0.000 0.281 204 I C -1.339 174.917 176.117 0.231 0.000 1.040 204 I CA -0.323 61.146 61.300 0.281 0.000 1.094 204 I CB 1.320 39.459 38.000 0.232 0.000 1.219 204 I HN 0.223 nan 8.210 nan 0.000 0.450 205 I N 6.397 127.073 120.570 0.176 0.000 2.390 205 I HA 0.274 4.448 4.170 0.007 0.000 0.283 205 I C 0.043 176.221 176.117 0.102 0.000 1.016 205 I CA -0.493 60.883 61.300 0.126 0.000 1.151 205 I CB 0.986 39.044 38.000 0.097 0.000 1.293 205 I HN 0.644 nan 8.210 nan 0.000 0.458 206 N N 5.412 124.170 118.700 0.096 0.000 2.725 206 N HA -0.217 4.526 4.740 0.007 0.000 0.251 206 N C 1.146 176.716 175.510 0.100 0.000 1.031 206 N CA 1.064 54.164 53.050 0.084 0.000 0.720 206 N CB -1.011 37.518 38.487 0.069 0.000 0.930 206 N HN 1.130 nan 8.380 nan 0.000 0.543 207 G N -1.399 107.469 108.800 0.114 0.000 2.320 207 G HA2 -0.342 3.621 3.960 0.007 0.000 0.242 207 G HA3 -0.342 3.621 3.960 0.007 0.000 0.242 207 G C 0.087 175.047 174.900 0.101 0.000 1.033 207 G CA 0.748 45.919 45.100 0.119 0.000 0.620 207 G HN 0.985 nan 8.290 nan 0.000 0.517 208 S N 0.990 116.747 115.700 0.094 0.000 2.554 208 S HA 0.563 5.037 4.470 0.007 0.000 0.278 208 S C 0.045 174.701 174.600 0.093 0.000 1.242 208 S CA -0.146 58.097 58.200 0.071 0.000 1.051 208 S CB 0.927 64.162 63.200 0.058 0.000 0.986 208 S HN 0.378 nan 8.310 nan 0.000 0.502 209 E N 3.504 123.740 120.200 0.060 0.000 2.167 209 E HA 0.300 4.654 4.350 0.007 0.000 0.284 209 E C -0.456 176.193 176.600 0.082 0.000 1.016 209 E CA -0.658 55.795 56.400 0.090 0.000 0.817 209 E CB 0.820 30.460 29.700 -0.100 0.000 1.080 209 E HN 0.400 nan 8.360 nan 0.000 0.397 210 K N 1.865 122.376 120.400 0.185 0.000 2.156 210 K HA 0.473 4.797 4.320 0.007 0.000 0.254 210 K C -0.622 176.075 176.600 0.163 0.000 0.950 210 K CA -0.931 55.445 56.287 0.148 0.000 0.849 210 K CB 2.132 34.730 32.500 0.164 0.000 1.100 210 K HN 0.209 nan 8.250 nan 0.000 0.434 211 V N 3.373 123.294 119.914 0.011 0.000 2.384 211 V HA 0.314 4.438 4.120 0.007 0.000 0.287 211 V C 0.291 176.353 176.094 -0.054 0.000 1.020 211 V CA -0.984 61.270 62.300 -0.077 0.000 0.850 211 V CB 1.182 32.773 31.823 -0.387 0.000 0.987 211 V HN 0.565 nan 8.190 nan 0.000 0.436 212 L N 5.456 126.689 121.223 0.017 0.000 2.416 212 L HA 0.334 4.678 4.340 0.007 0.000 0.272 212 L C -0.203 176.583 176.870 -0.139 0.000 1.161 212 L CA 0.024 54.809 54.840 -0.093 0.000 0.845 212 L CB 0.508 42.539 42.059 -0.048 0.000 1.119 212 L HN 0.434 nan 8.230 nan 0.000 0.464 213 I N 3.297 123.763 120.570 -0.173 0.000 2.321 213 I HA 0.246 4.420 4.170 0.007 0.000 0.291 213 I C 0.643 176.684 176.117 -0.126 0.000 0.998 213 I CA -0.497 60.732 61.300 -0.119 0.000 1.227 213 I CB 1.414 39.371 38.000 -0.072 0.000 1.368 213 I HN 0.629 nan 8.210 nan 0.000 0.466 214 A N 7.907 130.675 122.820 -0.086 0.000 2.573 214 A HA 0.057 4.381 4.320 0.007 0.000 0.250 214 A C 0.271 177.817 177.584 -0.064 0.000 1.049 214 A CA 0.144 52.139 52.037 -0.071 0.000 0.767 214 A CB -0.119 18.856 19.000 -0.042 0.000 0.965 214 A HN 0.661 nan 8.150 nan 0.000 0.514 215 Q N 1.747 121.503 119.800 -0.073 0.000 2.293 215 Q HA 0.313 4.657 4.340 0.007 0.000 0.261 215 Q C -0.435 175.546 176.000 -0.032 0.000 0.960 215 Q CA -0.311 55.458 55.803 -0.056 0.000 0.882 215 Q CB 2.018 30.710 28.738 -0.076 0.000 1.275 215 Q HN 0.876 nan 8.270 nan 0.000 0.445 216 E N 2.720 122.913 120.200 -0.012 0.000 2.249 216 E HA 0.390 4.744 4.350 0.007 0.000 0.280 216 E C -0.669 175.929 176.600 -0.003 0.000 1.016 216 E CA -0.250 56.148 56.400 -0.003 0.000 0.830 216 E CB 0.804 30.527 29.700 0.038 0.000 1.081 216 E HN 0.518 nan 8.360 nan 0.000 0.395 217 R N 1.110 121.600 120.500 -0.017 0.000 2.795 217 R HA 0.523 4.866 4.340 0.007 0.000 0.268 217 R C -1.005 175.283 176.300 -0.021 0.000 1.041 217 R CA -0.986 55.109 56.100 -0.008 0.000 0.927 217 R CB 0.860 31.157 30.300 -0.004 0.000 1.235 217 R HN 0.291 nan 8.270 nan 0.000 0.463 218 S N 0.172 115.868 115.700 -0.006 0.000 2.617 218 S HA 0.555 5.028 4.470 0.007 0.000 0.269 218 S C 0.154 174.738 174.600 -0.026 0.000 1.292 218 S CA -0.489 57.705 58.200 -0.011 0.000 1.010 218 S CB 1.369 64.582 63.200 0.023 0.000 0.944 218 S HN 0.693 nan 8.310 nan 0.000 0.536 219 A N 1.191 123.982 122.820 -0.049 0.000 2.425 219 A HA 0.576 4.900 4.320 0.007 0.000 0.242 219 A C 0.801 178.374 177.584 -0.019 0.000 1.077 219 A CA -0.016 51.986 52.037 -0.058 0.000 0.781 219 A CB -0.423 18.510 19.000 -0.113 0.000 1.020 219 A HN 0.912 nan 8.150 nan 0.000 0.494 220 G N -0.365 108.427 108.800 -0.014 0.000 2.522 220 G HA2 0.435 4.399 3.960 0.007 0.000 0.304 220 G HA3 0.435 4.399 3.960 0.007 0.000 0.304 220 G C 0.085 174.965 174.900 -0.033 0.000 1.210 220 G CA -0.221 44.866 45.100 -0.021 0.000 0.960 220 G HN 1.007 nan 8.290 nan 0.000 0.497 221 N N -1.855 116.773 118.700 -0.119 0.000 2.747 221 N HA -0.168 4.576 4.740 0.007 0.000 0.249 221 N C -0.580 174.949 175.510 0.032 0.000 1.107 221 N CA 0.984 53.892 53.050 -0.236 0.000 0.707 221 N CB -1.078 37.221 38.487 -0.313 0.000 1.054 221 N HN 0.456 nan 8.380 nan 0.000 0.555 222 I N 0.200 120.817 120.570 0.077 0.000 2.545 222 I HA 0.299 4.473 4.170 0.007 0.000 0.292 222 I C -0.000 176.191 176.117 0.124 0.000 1.040 222 I CA -0.855 60.526 61.300 0.134 0.000 1.068 222 I CB 2.341 40.391 38.000 0.082 0.000 1.251 222 I HN -0.248 nan 8.210 nan 0.000 0.424 223 V N 5.868 125.870 119.914 0.146 0.000 2.383 223 V HA 0.431 4.555 4.120 0.007 0.000 0.275 223 V C -0.294 175.779 176.094 -0.034 0.000 1.036 223 V CA -0.505 61.860 62.300 0.109 0.000 0.889 223 V CB 0.967 32.897 31.823 0.179 0.000 0.985 223 V HN 0.679 nan 8.190 nan 0.000 0.459 224 Q N 2.974 122.689 119.800 -0.142 0.000 2.356 224 Q HA 0.679 5.023 4.340 0.007 0.000 0.270 224 Q C -1.205 174.388 176.000 -0.679 0.000 1.058 224 Q CA -0.734 54.817 55.803 -0.420 0.000 0.802 224 Q CB 2.951 31.408 28.738 -0.469 0.000 1.303 224 Q HN 0.659 nan 8.270 nan 0.000 0.444 225 V N 1.508 121.034 119.914 -0.647 0.000 2.532 225 V HA 0.582 4.706 4.120 0.007 0.000 0.295 225 V C -0.675 175.061 176.094 -0.597 0.000 1.041 225 V CA -0.621 61.388 62.300 -0.486 0.000 0.926 225 V CB 0.620 32.327 31.823 -0.193 0.000 0.992 225 V HN 0.615 nan 8.190 nan 0.000 0.457 226 F N 2.016 122.005 119.950 0.065 0.000 2.579 226 F HA 0.453 4.984 4.527 0.007 0.000 0.325 226 F C 0.495 176.297 175.800 0.003 0.000 1.162 226 F CA -0.996 57.025 58.000 0.035 0.000 0.946 226 F CB 1.767 40.779 39.000 0.021 0.000 1.211 226 F HN 0.352 nan 8.300 nan 0.000 0.447 227 K N 3.366 123.848 120.400 0.137 0.000 2.414 227 K HA 0.213 4.537 4.320 0.007 0.000 0.272 227 K C -0.445 176.115 176.600 -0.065 0.000 0.993 227 K CA 0.032 56.254 56.287 -0.108 0.000 0.964 227 K CB 0.819 33.261 32.500 -0.098 0.000 0.925 227 K HN 0.603 nan 8.250 nan 0.000 0.487 228 K N 1.248 121.555 120.400 -0.155 0.000 2.426 228 K HA 0.322 4.646 4.320 0.007 0.000 0.254 228 K C -0.188 176.360 176.600 -0.087 0.000 0.936 228 K CA -0.328 55.910 56.287 -0.081 0.000 0.801 228 K CB 1.903 34.370 32.500 -0.054 0.000 1.139 228 K HN 0.813 nan 8.250 nan 0.000 0.424 229 A N 2.327 125.112 122.820 -0.057 0.000 5.797 229 A HA -0.225 4.099 4.320 0.007 0.000 0.542 229 A C 0.741 178.298 177.584 -0.046 0.000 1.707 229 A CA 1.873 53.882 52.037 -0.045 0.000 1.676 229 A CB -1.210 17.766 19.000 -0.039 0.000 1.462 229 A HN 1.043 nan 8.150 nan 0.000 0.643 230 A N -3.553 119.247 122.820 -0.034 0.000 2.709 230 A HA 0.522 4.846 4.320 0.007 0.000 0.212 230 A C -1.383 176.190 177.584 -0.019 0.000 1.280 230 A CA 1.001 53.022 52.037 -0.027 0.000 1.034 230 A CB -0.249 18.740 19.000 -0.018 0.000 1.255 230 A HN 0.722 nan 8.150 nan 0.000 0.547 231 P HA 0.256 nan 4.420 nan 0.000 0.249 231 P C 0.031 177.317 177.300 -0.023 0.000 1.583 231 P CA 0.418 63.508 63.100 -0.016 0.000 0.988 231 P CB 0.361 32.053 31.700 -0.013 0.000 1.530 232 S N 1.020 116.700 115.700 -0.034 0.000 2.568 232 S HA 0.571 5.045 4.470 0.007 0.000 0.302 232 S C -1.818 172.743 174.600 -0.065 0.000 1.082 232 S CA -1.658 56.511 58.200 -0.053 0.000 1.009 232 S CB 1.421 64.583 63.200 -0.064 0.000 1.069 232 S HN -0.177 nan 8.310 nan 0.000 0.500 233 P HA 0.186 nan 4.420 nan 0.000 0.216 233 P C 0.477 177.652 177.300 -0.208 0.000 1.154 233 P CA 0.487 63.506 63.100 -0.135 0.000 0.857 233 P CB -0.419 31.180 31.700 -0.168 0.000 0.787 234 I N 0.122 120.505 120.570 -0.311 0.000 2.460 234 I HA 0.173 4.347 4.170 0.007 0.000 0.297 234 I C 1.253 177.305 176.117 -0.108 0.000 1.139 234 I CA 0.012 61.145 61.300 -0.278 0.000 1.340 234 I CB 0.038 37.849 38.000 -0.315 0.000 1.444 234 I HN -0.098 nan 8.210 nan 0.000 0.557 235 S N 3.990 119.666 115.700 -0.040 0.000 2.458 235 S HA 0.059 4.532 4.470 0.007 0.000 0.223 235 S C 0.436 174.888 174.600 -0.246 0.000 1.019 235 S CA 0.271 58.423 58.200 -0.080 0.000 0.937 235 S CB -0.167 63.046 63.200 0.021 0.000 0.788 235 S HN 0.804 nan 8.310 nan 0.000 0.511 236 H N -0.978 118.110 119.070 0.030 0.000 2.895 236 H HA 0.780 5.340 4.556 0.007 0.000 0.373 236 H C -1.483 173.879 175.328 0.057 0.000 1.174 236 H CA -0.615 55.460 56.048 0.044 0.000 1.144 236 H CB 2.166 31.945 29.762 0.029 0.000 1.793 236 H HN 0.071 nan 8.280 nan 0.000 0.551 237 V N 1.199 121.223 119.914 0.183 0.000 2.686 237 V HA 0.715 4.839 4.120 0.007 0.000 0.306 237 V C -0.780 175.373 176.094 0.097 0.000 1.065 237 V CA -0.747 61.643 62.300 0.149 0.000 0.894 237 V CB 1.856 33.780 31.823 0.168 0.000 1.004 237 V HN 0.953 nan 8.190 nan 0.000 0.424 238 A N 4.047 126.911 122.820 0.073 0.000 2.303 238 A HA 0.864 5.188 4.320 0.007 0.000 0.320 238 A C -0.459 177.162 177.584 0.061 0.000 1.192 238 A CA -0.459 51.581 52.037 0.006 0.000 0.821 238 A CB 1.068 20.066 19.000 -0.004 0.000 1.188 238 A HN 0.881 nan 8.150 nan 0.000 0.492 239 E N 2.310 122.536 120.200 0.044 0.000 2.343 239 E HA 0.715 5.069 4.350 0.007 0.000 0.270 239 E C -1.961 174.711 176.600 0.120 0.000 0.895 239 E CA -0.658 55.812 56.400 0.117 0.000 0.767 239 E CB 1.965 31.777 29.700 0.187 0.000 1.248 239 E HN 0.651 nan 8.360 nan 0.000 0.440 240 I N 2.795 123.445 120.570 0.135 0.000 2.571 240 I HA 0.351 4.525 4.170 0.007 0.000 0.286 240 I C -1.017 175.146 176.117 0.077 0.000 1.134 240 I CA -0.714 60.660 61.300 0.123 0.000 1.052 240 I CB 1.265 39.379 38.000 0.191 0.000 1.237 240 I HN 0.562 nan 8.210 nan 0.000 0.435 241 R N 4.913 125.446 120.500 0.054 0.000 2.296 241 R HA 0.260 4.604 4.340 0.007 0.000 0.323 241 R C -0.303 175.977 176.300 -0.034 0.000 1.067 241 R CA -0.203 55.913 56.100 0.026 0.000 0.946 241 R CB 0.803 31.123 30.300 0.033 0.000 0.991 241 R HN 0.465 nan 8.270 nan 0.000 0.448 242 S N 2.298 117.981 115.700 -0.028 0.000 2.466 242 S HA 0.343 4.817 4.470 0.007 0.000 0.313 242 S C -0.235 174.347 174.600 -0.030 0.000 1.078 242 S CA -0.537 57.619 58.200 -0.073 0.000 1.115 242 S CB 1.002 64.210 63.200 0.014 0.000 1.006 242 S HN 0.676 nan 8.310 nan 0.000 0.487 243 A N 3.457 126.236 122.820 -0.069 0.000 2.303 243 A HA 0.697 5.021 4.320 0.007 0.000 0.317 243 A C 0.530 178.123 177.584 0.016 0.000 1.149 243 A CA -0.545 51.488 52.037 -0.007 0.000 0.822 243 A CB 0.491 19.487 19.000 -0.005 0.000 1.131 243 A HN 0.859 nan 8.150 nan 0.000 0.493 244 L N 1.083 122.331 121.223 0.043 0.000 2.701 244 L HA 0.112 4.456 4.340 0.007 0.000 0.238 244 L C 0.966 177.861 176.870 0.041 0.000 1.106 244 L CA -0.009 54.855 54.840 0.040 0.000 0.898 244 L CB -0.005 42.076 42.059 0.036 0.000 1.188 244 L HN 0.883 nan 8.230 nan 0.000 0.508 245 E N 3.313 123.544 120.200 0.050 0.000 2.888 245 E HA -0.231 4.122 4.350 0.007 0.000 0.225 245 E C -0.207 176.425 176.600 0.053 0.000 1.014 245 E CA 0.673 57.108 56.400 0.058 0.000 0.875 245 E CB -0.824 28.913 29.700 0.061 0.000 1.034 245 E HN 0.604 nan 8.360 nan 0.000 0.432 246 K N 1.513 121.943 120.400 0.050 0.000 3.237 246 K HA 0.516 4.840 4.320 0.007 0.000 0.197 246 K C 0.462 177.099 176.600 0.062 0.000 1.133 246 K CA -0.339 55.978 56.287 0.049 0.000 0.944 246 K CB 0.833 33.352 32.500 0.031 0.000 0.952 246 K HN 0.450 nan 8.250 nan 0.000 0.515 247 G N -0.068 108.782 108.800 0.082 0.000 2.627 247 G HA2 -0.043 3.921 3.960 0.007 0.000 0.214 247 G HA3 -0.043 3.921 3.960 0.007 0.000 0.214 247 G C -0.062 174.902 174.900 0.107 0.000 1.331 247 G CA -0.381 44.779 45.100 0.100 0.000 0.891 247 G HN 0.990 nan 8.290 nan 0.000 0.539 248 S N -2.185 113.590 115.700 0.125 0.000 3.387 248 S HA -0.128 4.346 4.470 0.007 0.000 0.633 248 S C 0.522 175.219 174.600 0.162 0.000 2.641 248 S CA 2.244 60.545 58.200 0.168 0.000 2.931 248 S CB -0.626 62.696 63.200 0.205 0.000 0.327 248 S HN 2.425 nan 8.310 nan 0.000 1.716 249 R N -0.196 120.434 120.500 0.217 0.000 2.610 249 R HA 0.282 4.626 4.340 0.007 0.000 0.174 249 R C -1.305 175.074 176.300 0.132 0.000 1.305 249 R CA 0.071 56.258 56.100 0.147 0.000 1.130 249 R CB -0.797 29.548 30.300 0.075 0.000 1.433 249 R HN 0.404 nan 8.270 nan 0.000 0.735 250 F N 2.492 122.448 119.950 0.010 0.000 2.661 250 F HA 0.267 4.798 4.527 0.007 0.000 0.356 250 F C 0.549 176.342 175.800 -0.010 0.000 1.244 250 F CA -0.429 57.567 58.000 -0.007 0.000 1.290 250 F CB 0.389 39.378 39.000 -0.018 0.000 1.677 250 F HN 0.073 nan 8.300 nan 0.000 0.649 251 I N 1.556 122.184 120.570 0.096 0.000 2.243 251 I HA 0.029 4.203 4.170 0.007 0.000 0.297 251 I C 0.477 176.619 176.117 0.041 0.000 1.161 251 I CA 0.161 61.498 61.300 0.062 0.000 1.298 251 I CB -0.208 37.817 38.000 0.043 0.000 1.475 251 I HN 0.167 nan 8.210 nan 0.000 0.561 252 S N 4.543 120.275 115.700 0.052 0.000 2.474 252 S HA 0.347 4.820 4.470 0.007 0.000 0.320 252 S C 0.568 175.188 174.600 0.033 0.000 1.067 252 S CA -0.537 57.683 58.200 0.033 0.000 1.127 252 S CB 0.408 63.632 63.200 0.039 0.000 0.971 252 S HN 0.733 nan 8.310 nan 0.000 0.472 253 T N 2.416 116.994 114.554 0.040 0.000 2.882 253 T HA 0.654 5.008 4.350 0.007 0.000 0.287 253 T C -0.343 174.400 174.700 0.071 0.000 1.014 253 T CA -0.689 61.444 62.100 0.055 0.000 1.049 253 T CB 0.977 69.885 68.868 0.066 0.000 1.001 253 T HN 0.389 nan 8.240 nan 0.000 0.525 254 L N 1.137 122.414 121.223 0.089 0.000 2.436 254 L HA 0.554 4.898 4.340 0.007 0.000 0.268 254 L C -1.162 175.789 176.870 0.134 0.000 0.974 254 L CA -0.451 54.458 54.840 0.114 0.000 0.826 254 L CB 2.225 44.344 42.059 0.099 0.000 1.291 254 L HN 0.851 nan 8.230 nan 0.000 0.406 255 Q N 3.886 123.770 119.800 0.141 0.000 2.330 255 Q HA 0.634 4.978 4.340 0.007 0.000 0.269 255 Q C -1.295 174.797 176.000 0.154 0.000 1.022 255 Q CA -0.820 55.069 55.803 0.143 0.000 0.796 255 Q CB 2.746 31.564 28.738 0.134 0.000 1.271 255 Q HN 0.532 nan 8.270 nan 0.000 0.450 256 V N 3.099 123.103 119.914 0.150 0.000 2.334 256 V HA 0.293 4.417 4.120 0.007 0.000 0.267 256 V C -0.231 175.954 176.094 0.152 0.000 1.040 256 V CA -0.624 61.768 62.300 0.153 0.000 0.866 256 V CB 0.312 32.220 31.823 0.142 0.000 1.019 256 V HN 0.619 nan 8.190 nan 0.000 0.468 257 K N 4.303 124.812 120.400 0.181 0.000 2.123 257 K HA 0.705 5.029 4.320 0.007 0.000 0.259 257 K C -0.807 175.937 176.600 0.240 0.000 0.960 257 K CA -0.827 55.576 56.287 0.195 0.000 0.872 257 K CB 2.280 34.913 32.500 0.222 0.000 1.079 257 K HN 0.513 nan 8.250 nan 0.000 0.440 258 L N 3.137 124.489 121.223 0.215 0.000 2.337 258 L HA 0.318 4.662 4.340 0.007 0.000 0.269 258 L C -1.313 175.710 176.870 0.255 0.000 1.018 258 L CA -0.518 54.461 54.840 0.233 0.000 0.876 258 L CB 0.078 42.242 42.059 0.174 0.000 1.236 258 L HN 0.425 nan 8.230 nan 0.000 0.436 259 Y N 3.595 123.943 120.300 0.080 0.000 2.683 259 Y HA 0.437 4.991 4.550 0.007 0.000 0.340 259 Y C 1.268 177.209 175.900 0.069 0.000 1.245 259 Y CA 0.808 58.950 58.100 0.070 0.000 1.485 259 Y CB 0.611 39.109 38.460 0.062 0.000 1.328 259 Y HN 0.822 nan 8.280 nan 0.000 0.603 260 G N 3.278 112.174 108.800 0.160 0.000 3.307 260 G HA2 -0.153 3.811 3.960 0.007 0.000 0.686 260 G HA3 -0.153 3.811 3.960 0.007 0.000 0.686 260 G C -0.335 174.622 174.900 0.094 0.000 0.983 260 G CA -1.125 44.048 45.100 0.123 0.000 0.804 260 G HN 0.551 nan 8.290 nan 0.000 0.531 261 R N 0.840 121.380 120.500 0.066 0.000 2.919 261 R HA 0.170 4.513 4.340 0.007 0.000 0.284 261 R C 0.835 177.177 176.300 0.070 0.000 1.104 261 R CA -0.308 55.828 56.100 0.059 0.000 1.207 261 R CB 0.307 30.629 30.300 0.037 0.000 1.162 261 R HN 0.718 nan 8.270 nan 0.000 0.561 262 E N 0.438 120.680 120.200 0.069 0.000 2.299 262 E HA 0.097 4.451 4.350 0.007 0.000 0.272 262 E C 0.590 177.217 176.600 0.046 0.000 1.043 262 E CA 0.918 57.354 56.400 0.060 0.000 0.895 262 E CB 0.557 30.294 29.700 0.061 0.000 1.011 262 E HN 0.724 nan 8.360 nan 0.000 0.432 263 G N 3.855 112.681 108.800 0.044 0.000 2.659 263 G HA2 -0.304 3.660 3.960 0.007 0.000 0.212 263 G HA3 -0.304 3.660 3.960 0.007 0.000 0.212 263 G C 0.713 175.638 174.900 0.041 0.000 1.226 263 G CA 0.233 45.357 45.100 0.039 0.000 0.739 263 G HN 0.559 nan 8.290 nan 0.000 0.528 264 S N 2.128 117.856 115.700 0.045 0.000 3.593 264 S HA 0.470 4.944 4.470 0.007 0.000 0.224 264 S C 1.159 175.794 174.600 0.058 0.000 1.333 264 S CA 1.101 59.331 58.200 0.050 0.000 1.164 264 S CB -1.142 62.089 63.200 0.052 0.000 1.281 264 S HN 1.686 nan 8.310 nan 0.000 0.457 265 S N 1.699 117.430 115.700 0.052 0.000 2.589 265 S HA 0.565 5.039 4.470 0.007 0.000 0.265 265 S C 0.676 175.308 174.600 0.053 0.000 1.342 265 S CA 0.054 58.286 58.200 0.053 0.000 1.005 265 S CB 0.854 64.081 63.200 0.046 0.000 0.909 265 S HN 1.807 nan 8.310 nan 0.000 0.555 266 A N 0.994 123.846 122.820 0.052 0.000 3.978 266 A HA -0.077 4.247 4.320 0.007 0.000 0.205 266 A C 0.209 177.837 177.584 0.073 0.000 1.250 266 A CA 0.013 52.083 52.037 0.055 0.000 0.905 266 A CB -2.280 16.753 19.000 0.055 0.000 0.978 266 A HN 0.778 nan 8.150 nan 0.000 0.575 267 R N 1.354 121.898 120.500 0.072 0.000 2.419 267 R HA 0.299 4.643 4.340 0.007 0.000 0.305 267 R C 0.838 177.187 176.300 0.082 0.000 1.242 267 R CA 0.696 56.852 56.100 0.093 0.000 1.105 267 R CB 0.484 30.833 30.300 0.081 0.000 1.116 267 R HN 0.744 nan 8.270 nan 0.000 0.523 268 T N 1.396 116.003 114.554 0.087 0.000 2.816 268 T HA 0.466 4.820 4.350 0.007 0.000 0.282 268 T C 0.401 175.152 174.700 0.086 0.000 0.993 268 T CA -0.458 61.671 62.100 0.049 0.000 0.994 268 T CB 0.732 69.583 68.868 -0.027 0.000 1.025 268 T HN 0.376 nan 8.240 nan 0.000 0.529 269 I N 2.231 122.842 120.570 0.068 0.000 2.447 269 I HA 0.458 4.632 4.170 0.007 0.000 0.287 269 I C 0.015 176.183 176.117 0.086 0.000 1.023 269 I CA -0.973 60.392 61.300 0.109 0.000 1.083 269 I CB 1.984 40.049 38.000 0.108 0.000 1.245 269 I HN 0.623 nan 8.210 nan 0.000 0.434 270 K N 4.473 124.942 120.400 0.116 0.000 2.350 270 K HA 0.923 5.247 4.320 0.007 0.000 0.241 270 K C -0.962 175.719 176.600 0.135 0.000 0.994 270 K CA -0.916 55.421 56.287 0.084 0.000 0.839 270 K CB 2.946 35.448 32.500 0.004 0.000 1.244 270 K HN 0.637 nan 8.250 nan 0.000 0.443 271 A N 0.636 123.517 122.820 0.103 0.000 2.454 271 A HA 0.607 4.931 4.320 0.007 0.000 0.302 271 A C -0.666 176.979 177.584 0.100 0.000 1.079 271 A CA -0.733 51.377 52.037 0.122 0.000 0.731 271 A CB 1.278 20.356 19.000 0.130 0.000 1.299 271 A HN 0.669 nan 8.150 nan 0.000 0.413 272 T N 0.371 114.998 114.554 0.121 0.000 2.845 272 T HA 0.659 5.013 4.350 0.007 0.000 0.288 272 T C -0.320 174.448 174.700 0.114 0.000 0.980 272 T CA -0.385 61.776 62.100 0.103 0.000 1.071 272 T CB 0.494 69.427 68.868 0.108 0.000 0.941 272 T HN 0.440 nan 8.240 nan 0.000 0.487 273 L N 3.217 124.487 121.223 0.079 0.000 2.341 273 L HA 0.443 4.787 4.340 0.007 0.000 0.278 273 L C -2.417 174.499 176.870 0.076 0.000 1.005 273 L CA -2.837 52.056 54.840 0.089 0.000 0.818 273 L CB 1.949 44.016 42.059 0.013 0.000 1.259 273 L HN 0.374 nan 8.230 nan 0.000 0.418 274 P HA -0.151 nan 4.420 nan 0.000 0.255 274 P C -0.345 176.933 177.300 -0.036 0.000 1.161 274 P CA 0.441 63.516 63.100 -0.041 0.000 0.768 274 P CB -0.278 31.359 31.700 -0.105 0.000 0.746 275 Y N 0.989 121.327 120.300 0.065 0.000 2.950 275 Y HA -0.232 4.322 4.550 0.006 0.000 0.214 275 Y C -0.914 175.017 175.900 0.052 0.000 1.153 275 Y CA -0.456 57.683 58.100 0.065 0.000 0.966 275 Y CB -2.343 36.164 38.460 0.079 0.000 1.195 275 Y HN 0.228 nan 8.280 nan 0.000 0.507 276 I N 2.122 122.811 120.570 0.198 0.000 2.362 276 I HA 0.141 4.314 4.170 0.007 0.000 0.289 276 I C 1.256 177.407 176.117 0.058 0.000 0.994 276 I CA -0.898 60.453 61.300 0.085 0.000 1.158 276 I CB 1.514 39.506 38.000 -0.015 0.000 1.315 276 I HN 0.256 nan 8.210 nan 0.000 0.451 277 K N 3.140 123.572 120.400 0.053 0.000 2.117 277 K HA -0.258 4.066 4.320 0.007 0.000 0.215 277 K C 0.850 177.468 176.600 0.029 0.000 1.053 277 K CA 1.873 58.185 56.287 0.043 0.000 0.935 277 K CB -0.107 32.416 32.500 0.039 0.000 0.719 277 K HN 0.573 nan 8.250 nan 0.000 0.460 278 Q N -0.456 119.340 119.800 -0.006 0.000 3.017 278 Q HA 0.155 4.499 4.340 0.007 0.000 0.299 278 Q C -1.460 174.529 176.000 -0.017 0.000 1.046 278 Q CA -0.882 54.916 55.803 -0.008 0.000 0.821 278 Q CB 1.771 30.486 28.738 -0.037 0.000 1.481 278 Q HN -0.086 nan 8.270 nan 0.000 0.494 279 D N 1.164 121.560 120.400 -0.006 0.000 2.217 279 D HA 0.360 5.004 4.640 0.007 0.000 0.243 279 D C -0.703 175.555 176.300 -0.070 0.000 1.054 279 D CA -0.259 53.741 54.000 -0.001 0.000 0.838 279 D CB 1.123 41.970 40.800 0.078 0.000 1.162 279 D HN 0.307 nan 8.370 nan 0.000 0.472 280 I N 2.951 123.467 120.570 -0.090 0.000 2.353 280 I HA 0.298 4.472 4.170 0.007 0.000 0.293 280 I C -2.220 173.887 176.117 -0.016 0.000 0.992 280 I CA -2.844 58.382 61.300 -0.123 0.000 1.268 280 I CB 0.712 38.605 38.000 -0.178 0.000 1.387 280 I HN -0.059 nan 8.210 nan 0.000 0.478 281 P HA 0.179 nan 4.420 nan 0.000 0.271 281 P C 1.450 178.802 177.300 0.087 0.000 1.216 281 P CA -0.219 62.918 63.100 0.061 0.000 0.771 281 P CB 0.705 32.455 31.700 0.085 0.000 0.864 282 I N 1.024 121.662 120.570 0.113 0.000 2.454 282 I HA -0.182 3.992 4.170 0.007 0.000 0.254 282 I C 1.125 177.400 176.117 0.262 0.000 1.156 282 I CA 1.423 62.824 61.300 0.169 0.000 1.433 282 I CB -0.691 37.453 38.000 0.240 0.000 1.082 282 I HN -0.004 nan 8.210 nan 0.000 0.432 283 V N 2.328 122.364 119.914 0.203 0.000 2.490 283 V HA -0.242 3.882 4.120 0.007 0.000 0.250 283 V C 2.704 178.898 176.094 0.167 0.000 1.061 283 V CA 1.643 64.054 62.300 0.185 0.000 1.064 283 V CB -0.738 31.144 31.823 0.099 0.000 0.670 283 V HN 0.443 nan 8.190 nan 0.000 0.461 284 I N -0.289 120.363 120.570 0.137 0.000 2.315 284 I HA -0.183 3.991 4.170 0.007 0.000 0.248 284 I C 2.501 178.651 176.117 0.054 0.000 1.117 284 I CA 1.552 62.922 61.300 0.117 0.000 1.404 284 I CB -0.769 37.339 38.000 0.181 0.000 1.071 284 I HN 0.254 nan 8.210 nan 0.000 0.419 285 I N 0.901 121.479 120.570 0.013 0.000 2.163 285 I HA -0.296 3.878 4.170 0.007 0.000 0.243 285 I C 2.705 178.737 176.117 -0.141 0.000 1.085 285 I CA 1.952 63.172 61.300 -0.133 0.000 1.347 285 I CB -1.063 36.817 38.000 -0.199 0.000 1.044 285 I HN 0.093 nan 8.210 nan 0.000 0.408 286 F N 1.100 121.020 119.950 -0.050 0.000 2.102 286 F HA -0.175 4.356 4.527 0.007 0.000 0.298 286 F C 2.861 178.622 175.800 -0.066 0.000 1.105 286 F CA 1.443 59.408 58.000 -0.057 0.000 1.239 286 F CB -0.520 38.438 39.000 -0.070 0.000 0.991 286 F HN -0.073 nan 8.300 nan 0.000 0.474 287 R N 0.172 120.760 120.500 0.146 0.000 2.097 287 R HA -0.212 4.132 4.340 0.007 0.000 0.236 287 R C 2.375 178.692 176.300 0.028 0.000 1.135 287 R CA 1.543 57.683 56.100 0.067 0.000 0.934 287 R CB -0.983 29.351 30.300 0.057 0.000 0.846 287 R HN 0.271 nan 8.270 nan 0.000 0.431 288 A N 0.380 123.202 122.820 0.004 0.000 2.159 288 A HA -0.174 4.150 4.320 0.007 0.000 0.222 288 A C 1.780 179.336 177.584 -0.047 0.000 1.163 288 A CA 1.358 53.375 52.037 -0.034 0.000 0.664 288 A CB -0.446 18.507 19.000 -0.078 0.000 0.803 288 A HN 0.303 nan 8.150 nan 0.000 0.470 289 L N -2.408 118.794 121.223 -0.036 0.000 2.728 289 L HA 0.301 4.644 4.340 0.007 0.000 0.238 289 L C 1.622 178.502 176.870 0.016 0.000 1.143 289 L CA 0.497 55.322 54.840 -0.025 0.000 0.937 289 L CB 0.230 42.258 42.059 -0.052 0.000 1.225 289 L HN 0.575 nan 8.230 nan 0.000 0.507 290 G N 0.512 109.321 108.800 0.016 0.000 2.259 290 G HA2 -0.235 3.728 3.960 0.007 0.000 0.217 290 G HA3 -0.235 3.728 3.960 0.007 0.000 0.217 290 G C 0.036 174.943 174.900 0.011 0.000 1.001 290 G CA -0.504 44.607 45.100 0.018 0.000 0.627 290 G HN 0.088 nan 8.290 nan 0.000 0.501 291 I N 3.330 123.911 120.570 0.019 0.000 2.269 291 I HA 0.378 4.552 4.170 0.007 0.000 0.293 291 I C 1.499 177.599 176.117 -0.030 0.000 1.106 291 I CA -0.812 60.468 61.300 -0.034 0.000 1.248 291 I CB 0.642 38.585 38.000 -0.095 0.000 1.444 291 I HN 0.137 nan 8.210 nan 0.000 0.497 292 I N 6.319 126.865 120.570 -0.039 0.000 2.499 292 I HA 0.122 4.296 4.170 0.007 0.000 0.243 292 I C -1.393 174.702 176.117 -0.036 0.000 1.085 292 I CA 0.354 61.641 61.300 -0.021 0.000 1.422 292 I CB -1.625 36.370 38.000 -0.008 0.000 1.165 292 I HN 0.291 nan 8.210 nan 0.000 0.440 293 P HA 0.069 nan 4.420 nan 0.000 0.276 293 P C -0.848 176.399 177.300 -0.087 0.000 1.235 293 P CA -0.069 63.000 63.100 -0.051 0.000 0.772 293 P CB 0.373 32.044 31.700 -0.049 0.000 0.871 294 D N 1.956 122.314 120.400 -0.069 0.000 2.515 294 D HA 0.077 4.721 4.640 0.007 0.000 0.230 294 D C 1.748 177.981 176.300 -0.113 0.000 1.181 294 D CA 1.641 55.583 54.000 -0.097 0.000 0.875 294 D CB -0.239 40.515 40.800 -0.076 0.000 1.213 294 D HN 0.731 nan 8.370 nan 0.000 0.478 295 G N 1.482 110.201 108.800 -0.135 0.000 2.417 295 G HA2 -0.418 3.546 3.960 0.007 0.000 0.233 295 G HA3 -0.418 3.546 3.960 0.007 0.000 0.233 295 G C 0.990 175.822 174.900 -0.114 0.000 1.103 295 G CA 0.638 45.670 45.100 -0.112 0.000 0.647 295 G HN 0.599 nan 8.290 nan 0.000 0.512 296 E N 0.486 120.606 120.200 -0.133 0.000 2.158 296 E HA 0.151 4.505 4.350 0.007 0.000 0.191 296 E C 2.605 179.018 176.600 -0.312 0.000 0.982 296 E CA 0.723 57.033 56.400 -0.151 0.000 0.823 296 E CB -0.139 29.478 29.700 -0.138 0.000 0.766 296 E HN 0.674 nan 8.360 nan 0.000 0.468 297 I N 1.109 121.457 120.570 -0.370 0.000 2.113 297 I HA -0.294 3.880 4.170 0.007 0.000 0.238 297 I C 2.319 178.140 176.117 -0.495 0.000 1.070 297 I CA 1.058 61.990 61.300 -0.614 0.000 1.332 297 I CB -0.338 37.325 38.000 -0.561 0.000 1.044 297 I HN 0.207 nan 8.210 nan 0.000 0.402 298 L N 0.105 121.152 121.223 -0.294 0.000 2.265 298 L HA -0.149 4.194 4.340 0.007 0.000 0.215 298 L C 2.476 179.266 176.870 -0.133 0.000 1.117 298 L CA 0.750 55.469 54.840 -0.202 0.000 0.782 298 L CB -0.742 41.236 42.059 -0.135 0.000 0.914 298 L HN 0.277 nan 8.230 nan 0.000 0.441 299 E N 0.128 120.284 120.200 -0.073 0.000 2.160 299 E HA -0.204 4.150 4.350 0.007 0.000 0.195 299 E C 2.039 178.717 176.600 0.129 0.000 0.991 299 E CA 1.291 57.725 56.400 0.057 0.000 0.810 299 E CB -0.074 29.706 29.700 0.133 0.000 0.742 299 E HN 0.649 nan 8.360 nan 0.000 0.466 300 H N -1.304 117.667 119.070 -0.165 0.000 2.448 300 H HA 0.026 4.586 4.556 0.007 0.000 0.292 300 H C 1.978 177.250 175.328 -0.094 0.000 1.035 300 H CA 0.437 56.428 56.048 -0.094 0.000 1.349 300 H CB 0.470 30.082 29.762 -0.249 0.000 1.425 300 H HN 0.073 nan 8.280 nan 0.000 0.539 301 I N 0.214 120.717 120.570 -0.112 0.000 2.206 301 I HA -0.146 4.028 4.170 0.007 0.000 0.239 301 I C 1.247 177.068 176.117 -0.494 0.000 1.078 301 I CA 0.741 61.938 61.300 -0.172 0.000 1.367 301 I CB 0.277 38.209 38.000 -0.112 0.000 1.078 301 I HN 0.142 nan 8.210 nan 0.000 0.413 302 C N 0.986 120.054 119.300 -0.385 0.000 2.225 302 C HA 0.312 4.776 4.460 0.007 0.000 0.323 302 C C 0.654 175.505 174.990 -0.232 0.000 1.164 302 C CA -0.694 58.147 59.018 -0.295 0.000 1.565 302 C CB -1.472 26.188 27.740 -0.133 0.000 2.124 302 C HN 0.430 nan 8.230 nan 0.000 0.461 303 Y N 2.939 123.328 120.300 0.148 0.000 2.487 303 Y HA 0.252 4.805 4.550 0.007 0.000 0.339 303 Y C 0.842 176.819 175.900 0.128 0.000 1.191 303 Y CA 0.090 58.298 58.100 0.180 0.000 1.279 303 Y CB -0.280 38.330 38.460 0.250 0.000 1.122 303 Y HN 0.667 nan 8.280 nan 0.000 0.500 304 D N -0.925 119.567 120.400 0.153 0.000 2.871 304 D HA 0.027 4.671 4.640 0.007 0.000 0.209 304 D C 0.325 176.673 176.300 0.080 0.000 1.292 304 D CA -0.338 53.735 54.000 0.122 0.000 0.869 304 D CB 1.580 42.444 40.800 0.107 0.000 1.663 304 D HN -0.040 nan 8.370 nan 0.000 0.557 305 V N 2.740 122.706 119.914 0.086 0.000 3.041 305 V HA 0.056 4.180 4.120 0.007 0.000 0.260 305 V C 0.805 176.944 176.094 0.075 0.000 1.105 305 V CA 1.203 63.542 62.300 0.064 0.000 1.125 305 V CB -0.271 31.584 31.823 0.053 0.000 0.730 305 V HN 0.431 nan 8.190 nan 0.000 0.479 306 N N 0.559 119.311 118.700 0.086 0.000 2.424 306 N HA 0.004 4.748 4.740 0.007 0.000 0.178 306 N C 0.599 176.187 175.510 0.131 0.000 1.060 306 N CA 0.828 53.944 53.050 0.110 0.000 0.901 306 N CB -0.270 38.276 38.487 0.099 0.000 0.979 306 N HN 0.527 nan 8.380 nan 0.000 0.451 307 D N 2.121 122.560 120.400 0.066 0.000 2.597 307 D HA -0.065 4.578 4.640 0.007 0.000 0.228 307 D C 1.538 177.822 176.300 -0.028 0.000 1.120 307 D CA -0.385 53.604 54.000 -0.019 0.000 1.083 307 D CB -0.368 40.403 40.800 -0.047 0.000 1.116 307 D HN 0.324 nan 8.370 nan 0.000 0.487 308 W N 2.157 123.454 121.300 -0.004 0.000 2.321 308 W HA -0.228 4.436 4.660 0.007 0.000 0.306 308 W C 1.110 177.621 176.519 -0.013 0.000 1.217 308 W CA 0.353 57.692 57.345 -0.011 0.000 1.257 308 W CB -0.701 28.753 29.460 -0.009 0.000 1.145 308 W HN 0.248 nan 8.180 nan 0.000 0.509 309 Q N 0.784 120.016 119.800 -0.947 0.000 2.152 309 Q HA -0.263 4.081 4.340 0.007 0.000 0.206 309 Q C 2.355 178.135 176.000 -0.366 0.000 0.985 309 Q CA 2.721 57.953 55.803 -0.952 0.000 0.863 309 Q CB -0.384 27.743 28.738 -1.019 0.000 0.904 309 Q HN 0.554 nan 8.270 nan 0.000 0.422 310 M N -0.519 118.929 119.600 -0.253 0.000 2.357 310 M HA -0.027 4.457 4.480 0.007 0.000 0.266 310 M C 1.664 177.913 176.300 -0.084 0.000 1.095 310 M CA 0.913 56.124 55.300 -0.150 0.000 1.156 310 M CB 0.206 32.728 32.600 -0.130 0.000 1.365 310 M HN 0.069 nan 8.290 nan 0.000 0.447 311 L N 0.294 121.488 121.223 -0.048 0.000 2.027 311 L HA -0.170 4.174 4.340 0.007 0.000 0.206 311 L C 2.512 179.387 176.870 0.009 0.000 1.074 311 L CA 1.485 56.318 54.840 -0.012 0.000 0.745 311 L CB -0.894 41.179 42.059 0.025 0.000 0.898 311 L HN 0.331 nan 8.230 nan 0.000 0.433 312 E N 0.398 120.629 120.200 0.050 0.000 2.197 312 E HA -0.293 4.061 4.350 0.007 0.000 0.205 312 E C 2.089 178.705 176.600 0.026 0.000 1.029 312 E CA 1.812 58.257 56.400 0.074 0.000 0.828 312 E CB -0.170 29.614 29.700 0.141 0.000 0.737 312 E HN 0.301 nan 8.360 nan 0.000 0.464 313 M N -0.677 118.918 119.600 -0.009 0.000 2.557 313 M HA -0.020 4.464 4.480 0.007 0.000 0.259 313 M C 1.450 177.746 176.300 -0.007 0.000 1.086 313 M CA 0.741 56.032 55.300 -0.015 0.000 1.096 313 M CB 0.043 32.616 32.600 -0.045 0.000 1.424 313 M HN 0.201 nan 8.290 nan 0.000 0.488 314 L N -1.459 119.757 121.223 -0.011 0.000 2.515 314 L HA -0.010 4.334 4.340 0.007 0.000 0.223 314 L C 2.257 179.120 176.870 -0.012 0.000 1.079 314 L CA 0.033 54.864 54.840 -0.014 0.000 0.857 314 L CB -0.271 41.767 42.059 -0.035 0.000 1.050 314 L HN 0.168 nan 8.230 nan 0.000 0.476 315 K N 0.974 121.369 120.400 -0.009 0.000 2.077 315 K HA -0.212 4.112 4.320 0.007 0.000 0.213 315 K C -0.532 176.063 176.600 -0.008 0.000 1.051 315 K CA 2.036 58.314 56.287 -0.014 0.000 0.929 315 K CB -0.985 31.512 32.500 -0.005 0.000 0.715 315 K HN 0.249 nan 8.250 nan 0.000 0.451 316 P HA -0.114 nan 4.420 nan 0.000 0.220 316 P C 1.323 178.636 177.300 0.022 0.000 1.148 316 P CA 1.161 64.272 63.100 0.017 0.000 0.803 316 P CB -0.149 31.568 31.700 0.028 0.000 0.782 317 C N -0.772 118.541 119.300 0.020 0.000 2.440 317 C HA -0.057 4.407 4.460 0.007 0.000 0.278 317 C C 2.948 177.957 174.990 0.031 0.000 1.295 317 C CA 0.629 59.665 59.018 0.030 0.000 1.738 317 C CB -1.433 26.324 27.740 0.029 0.000 1.987 317 C HN 0.104 nan 8.230 nan 0.000 0.492 318 V N 0.444 120.364 119.914 0.009 0.000 2.283 318 V HA -0.164 3.960 4.120 0.007 0.000 0.243 318 V C 2.293 178.414 176.094 0.045 0.000 1.039 318 V CA 1.988 64.293 62.300 0.008 0.000 1.016 318 V CB -0.799 30.998 31.823 -0.043 0.000 0.650 318 V HN 0.426 nan 8.190 nan 0.000 0.449 319 E N 0.034 120.245 120.200 0.018 0.000 2.284 319 E HA -0.260 4.093 4.350 0.007 0.000 0.200 319 E C 1.838 178.506 176.600 0.114 0.000 1.008 319 E CA 1.399 57.836 56.400 0.061 0.000 0.829 319 E CB -0.227 29.488 29.700 0.026 0.000 0.744 319 E HN 0.576 nan 8.360 nan 0.000 0.491 320 D N -1.287 119.162 120.400 0.081 0.000 2.120 320 D HA -0.021 4.623 4.640 0.007 0.000 0.202 320 D C 1.773 178.126 176.300 0.089 0.000 0.972 320 D CA 1.339 55.381 54.000 0.071 0.000 0.837 320 D CB -0.272 40.557 40.800 0.049 0.000 0.989 320 D HN 0.215 nan 8.370 nan 0.000 0.469 321 G N -0.983 107.881 108.800 0.107 0.000 3.141 321 G HA2 -0.116 3.848 3.960 0.007 0.000 0.218 321 G HA3 -0.116 3.848 3.960 0.007 0.000 0.218 321 G C 0.826 175.810 174.900 0.141 0.000 1.170 321 G CA -0.350 44.816 45.100 0.110 0.000 0.769 321 G HN 0.196 nan 8.290 nan 0.000 0.546 322 F N 1.784 121.727 119.950 -0.013 0.000 2.773 322 F HA 0.076 4.607 4.527 0.006 0.000 0.299 322 F C 1.677 177.459 175.800 -0.031 0.000 1.204 322 F CA -0.015 57.972 58.000 -0.021 0.000 1.454 322 F CB 0.328 39.316 39.000 -0.020 0.000 1.117 322 F HN 0.025 nan 8.300 nan 0.000 0.590 323 V N 0.087 119.915 119.914 -0.143 0.000 3.650 323 V HA 0.127 4.251 4.120 0.007 0.000 0.271 323 V C 0.788 176.760 176.094 -0.203 0.000 1.281 323 V CA 0.336 62.486 62.300 -0.249 0.000 1.120 323 V CB -0.245 31.463 31.823 -0.191 0.000 0.856 323 V HN 0.048 nan 8.190 nan 0.000 0.443 324 I N 0.842 121.342 120.570 -0.116 0.000 2.497 324 I HA 0.362 4.536 4.170 0.007 0.000 0.284 324 I C -0.038 176.065 176.117 -0.024 0.000 1.060 324 I CA -0.059 61.200 61.300 -0.067 0.000 1.071 324 I CB 2.133 40.121 38.000 -0.021 0.000 1.216 324 I HN 0.054 nan 8.210 nan 0.000 0.442 325 Q N 3.493 123.271 119.800 -0.036 0.000 2.194 325 Q HA 0.128 4.472 4.340 0.007 0.000 0.214 325 Q C -0.898 175.102 176.000 0.000 0.000 0.838 325 Q CA 0.000 55.799 55.803 -0.007 0.000 0.972 325 Q CB 0.496 29.224 28.738 -0.017 0.000 1.131 325 Q HN 0.790 nan 8.270 nan 0.000 0.498 326 D N -3.334 117.065 120.400 -0.000 0.000 2.596 326 D HA 0.186 4.830 4.640 0.007 0.000 0.262 326 D C 0.229 176.535 176.300 0.010 0.000 1.210 326 D CA -0.765 53.237 54.000 0.003 0.000 0.873 326 D CB 0.554 41.353 40.800 -0.002 0.000 1.408 326 D HN -0.113 nan 8.370 nan 0.000 0.441 327 R N -0.340 120.165 120.500 0.009 0.000 2.073 327 R HA -0.162 4.182 4.340 0.007 0.000 0.234 327 R C 1.535 177.842 176.300 0.011 0.000 1.134 327 R CA 1.770 57.876 56.100 0.010 0.000 0.952 327 R CB -0.105 30.199 30.300 0.007 0.000 0.850 327 R HN 0.605 nan 8.270 nan 0.000 0.433 328 E N -0.624 119.582 120.200 0.010 0.000 2.070 328 E HA -0.196 4.157 4.350 0.007 0.000 0.197 328 E C 1.779 178.390 176.600 0.019 0.000 1.004 328 E CA 2.522 58.929 56.400 0.012 0.000 0.805 328 E CB 0.001 29.705 29.700 0.008 0.000 0.744 328 E HN 0.559 nan 8.360 nan 0.000 0.451 329 T N -2.350 112.214 114.554 0.016 0.000 3.014 329 T HA 0.196 4.550 4.350 0.007 0.000 0.263 329 T C 1.972 176.704 174.700 0.053 0.000 1.078 329 T CA 0.626 62.739 62.100 0.021 0.000 1.135 329 T CB -0.151 68.714 68.868 -0.006 0.000 0.895 329 T HN 0.181 nan 8.240 nan 0.000 0.480 330 A N 2.390 125.239 122.820 0.050 0.000 1.877 330 A HA 0.066 4.390 4.320 0.007 0.000 0.216 330 A C 2.340 179.962 177.584 0.064 0.000 1.186 330 A CA 1.249 53.331 52.037 0.074 0.000 0.620 330 A CB -0.921 18.106 19.000 0.046 0.000 0.822 330 A HN 0.396 nan 8.150 nan 0.000 0.443 331 L N 0.393 121.632 121.223 0.027 0.000 2.013 331 L HA -0.200 4.143 4.340 0.007 0.000 0.212 331 L C 2.214 179.107 176.870 0.039 0.000 1.073 331 L CA 2.286 57.130 54.840 0.007 0.000 0.753 331 L CB -1.603 40.459 42.059 0.005 0.000 0.890 331 L HN 0.448 nan 8.230 nan 0.000 0.432 332 D N -0.810 119.632 120.400 0.070 0.000 2.218 332 D HA -0.235 4.408 4.640 0.007 0.000 0.204 332 D C 1.659 178.067 176.300 0.181 0.000 0.976 332 D CA 0.384 54.442 54.000 0.096 0.000 0.853 332 D CB -0.076 40.768 40.800 0.072 0.000 0.939 332 D HN 0.198 nan 8.370 nan 0.000 0.481 333 F N 0.777 120.718 119.950 -0.015 0.000 2.733 333 F HA 0.155 4.686 4.527 0.007 0.000 0.301 333 F C 0.029 175.818 175.800 -0.018 0.000 1.240 333 F CA -0.206 57.785 58.000 -0.015 0.000 1.432 333 F CB -0.736 38.252 39.000 -0.019 0.000 1.089 333 F HN -0.190 nan 8.300 nan 0.000 0.533 334 I N 0.581 121.166 120.570 0.025 0.000 2.479 334 I HA 0.352 4.526 4.170 0.007 0.000 0.279 334 I C 0.683 176.812 176.117 0.020 0.000 1.102 334 I CA -0.066 61.181 61.300 -0.087 0.000 1.196 334 I CB 0.452 38.363 38.000 -0.147 0.000 1.427 334 I HN 0.099 nan 8.210 nan 0.000 0.503 346 E N 1.223 121.444 120.200 0.034 0.000 2.479 346 E HA 0.127 4.481 4.350 0.007 0.000 0.193 346 E C 0.899 177.528 176.600 0.050 0.000 1.049 346 E CA 0.388 56.812 56.400 0.040 0.000 0.870 346 E CB 0.317 30.035 29.700 0.030 0.000 0.944 346 E HN 0.194 nan 8.360 nan 0.000 0.492 347 K N 0.879 121.307 120.400 0.047 0.000 2.439 347 K HA -0.038 4.286 4.320 0.007 0.000 0.197 347 K C 1.956 178.617 176.600 0.102 0.000 1.041 347 K CA 1.109 57.430 56.287 0.056 0.000 0.970 347 K CB -0.084 32.432 32.500 0.026 0.000 0.773 347 K HN 0.250 nan 8.250 nan 0.000 0.479 348 R N 0.520 121.087 120.500 0.111 0.000 2.276 348 R HA 0.107 4.451 4.340 0.007 0.000 0.196 348 R C 1.635 178.020 176.300 0.142 0.000 0.961 348 R CA 0.547 56.755 56.100 0.181 0.000 1.024 348 R CB -0.143 30.249 30.300 0.153 0.000 0.940 348 R HN 0.072 nan 8.270 nan 0.000 0.480 349 I N 0.706 121.332 120.570 0.094 0.000 2.406 349 I HA -0.141 4.033 4.170 0.007 0.000 0.249 349 I C 2.365 178.523 176.117 0.069 0.000 1.122 349 I CA 0.719 62.058 61.300 0.065 0.000 1.431 349 I CB -0.157 37.871 38.000 0.047 0.000 1.087 349 I HN 0.234 nan 8.210 nan 0.000 0.424 350 Q N 0.154 120.008 119.800 0.091 0.000 2.046 350 Q HA -0.227 4.116 4.340 0.007 0.000 0.200 350 Q C 2.142 178.234 176.000 0.154 0.000 0.975 350 Q CA 1.684 57.547 55.803 0.099 0.000 0.836 350 Q CB -0.508 28.282 28.738 0.087 0.000 0.896 350 Q HN 0.479 nan 8.270 nan 0.000 0.428 351 Y N 1.005 121.324 120.300 0.033 0.000 2.151 351 Y HA -0.258 4.296 4.550 0.006 0.000 0.284 351 Y C 2.052 177.982 175.900 0.050 0.000 1.166 351 Y CA 1.569 59.696 58.100 0.044 0.000 1.163 351 Y CB -0.689 37.791 38.460 0.033 0.000 0.974 351 Y HN 0.103 nan 8.280 nan 0.000 0.511 352 A N -0.185 122.613 122.820 -0.037 0.000 1.933 352 A HA -0.200 4.124 4.320 0.007 0.000 0.218 352 A C 2.310 179.847 177.584 -0.078 0.000 1.175 352 A CA 1.821 53.771 52.037 -0.144 0.000 0.628 352 A CB -0.664 18.284 19.000 -0.086 0.000 0.814 352 A HN 0.462 nan 8.150 nan 0.000 0.444 353 K N -0.192 120.205 120.400 -0.006 0.000 2.211 353 K HA -0.123 4.201 4.320 0.007 0.000 0.203 353 K C 1.065 177.681 176.600 0.026 0.000 1.050 353 K CA 1.482 57.774 56.287 0.008 0.000 0.945 353 K CB -0.009 32.508 32.500 0.029 0.000 0.732 353 K HN 0.534 nan 8.250 nan 0.000 0.451 354 D N 0.456 120.889 120.400 0.055 0.000 2.120 354 D HA -0.122 4.522 4.640 0.007 0.000 0.202 354 D C 1.885 178.225 176.300 0.067 0.000 0.972 354 D CA 0.885 54.935 54.000 0.082 0.000 0.837 354 D CB -0.230 40.658 40.800 0.148 0.000 0.989 354 D HN 0.211 nan 8.370 nan 0.000 0.469 355 I N 0.821 121.411 120.570 0.033 0.000 2.399 355 I HA -0.238 3.936 4.170 0.007 0.000 0.254 355 I C 1.896 178.034 176.117 0.034 0.000 1.146 355 I CA 0.939 62.246 61.300 0.013 0.000 1.412 355 I CB -0.047 37.892 38.000 -0.102 0.000 1.076 355 I HN -0.056 nan 8.210 nan 0.000 0.432 356 L N -0.772 120.453 121.223 0.003 0.000 2.592 356 L HA 0.018 4.362 4.340 0.007 0.000 0.227 356 L C 2.032 178.975 176.870 0.121 0.000 1.127 356 L CA 0.184 55.052 54.840 0.046 0.000 0.884 356 L CB -0.248 41.739 42.059 -0.119 0.000 1.065 356 L HN 0.242 nan 8.230 nan 0.000 0.457 357 Q N -0.114 119.730 119.800 0.074 0.000 2.389 357 Q HA 0.022 4.365 4.340 0.007 0.000 0.201 357 Q C 1.833 177.842 176.000 0.014 0.000 0.956 357 Q CA 0.542 56.376 55.803 0.052 0.000 0.871 357 Q CB 0.290 29.052 28.738 0.042 0.000 0.990 357 Q HN 0.276 nan 8.270 nan 0.000 0.554 358 K N -0.026 120.383 120.400 0.015 0.000 2.186 358 K HA -0.040 4.284 4.320 0.007 0.000 0.202 358 K C 1.508 178.089 176.600 -0.032 0.000 1.052 358 K CA 0.867 57.130 56.287 -0.041 0.000 0.965 358 K CB 0.466 32.971 32.500 0.008 0.000 0.746 358 K HN 0.091 nan 8.250 nan 0.000 0.457 359 E N -0.521 119.704 120.200 0.041 0.000 2.357 359 E HA 0.027 4.381 4.350 0.007 0.000 0.202 359 E C 0.062 176.706 176.600 0.074 0.000 0.855 359 E CA -0.112 56.317 56.400 0.049 0.000 1.048 359 E CB -0.074 29.604 29.700 -0.037 0.000 1.037 359 E HN 0.057 nan 8.360 nan 0.000 0.499 360 F N 2.635 122.560 119.950 -0.041 0.000 2.472 360 F HA 0.221 4.752 4.527 0.007 0.000 0.364 360 F C 0.427 176.208 175.800 -0.031 0.000 1.090 360 F CA -0.569 57.414 58.000 -0.028 0.000 1.188 360 F CB 0.263 39.241 39.000 -0.037 0.000 1.105 360 F HN -0.048 nan 8.300 nan 0.000 0.536 361 L N 7.347 128.189 121.223 -0.635 0.000 3.895 361 L HA -0.242 4.102 4.340 0.007 0.000 0.511 361 L C -1.916 174.767 176.870 -0.312 0.000 1.222 361 L CA -0.055 54.470 54.840 -0.525 0.000 0.739 361 L CB -0.893 40.663 42.059 -0.837 0.000 1.425 361 L HN 0.580 nan 8.230 nan 0.000 0.817 362 P HA -0.128 nan 4.420 nan 0.000 0.219 362 P C 0.581 177.816 177.300 -0.107 0.000 1.150 362 P CA 1.322 64.361 63.100 -0.100 0.000 0.814 362 P CB -0.064 31.620 31.700 -0.026 0.000 0.787 363 H N -0.625 118.332 119.070 -0.188 0.000 2.639 363 H HA 0.123 4.683 4.556 0.007 0.000 0.373 363 H C 1.355 176.515 175.328 -0.280 0.000 1.372 363 H CA -0.071 55.859 56.048 -0.196 0.000 1.448 363 H CB 0.202 29.870 29.762 -0.156 0.000 1.544 363 H HN -0.143 nan 8.280 nan 0.000 0.615 364 I N -1.690 118.526 120.570 -0.590 0.000 4.801 364 I HA -0.320 3.854 4.170 0.007 0.000 0.040 364 I C 0.443 176.242 176.117 -0.529 0.000 0.632 364 I CA 1.833 62.749 61.300 -0.639 0.000 0.573 364 I CB -1.811 35.730 38.000 -0.764 0.000 0.559 364 I HN 0.850 nan 8.210 nan 0.000 0.153 365 T N -0.014 114.256 114.554 -0.473 0.000 3.128 365 T HA 0.274 4.628 4.350 0.007 0.000 0.363 365 T C -0.286 174.235 174.700 -0.298 0.000 1.610 365 T CA -0.191 61.619 62.100 -0.484 0.000 1.126 365 T CB 1.743 70.059 68.868 -0.921 0.000 1.416 365 T HN 0.371 nan 8.240 nan 0.000 0.480 366 Q N 2.631 122.286 119.800 -0.242 0.000 2.320 366 Q HA 0.404 4.748 4.340 0.007 0.000 0.201 366 Q C 0.835 176.767 176.000 -0.113 0.000 0.910 366 Q CA 0.062 55.762 55.803 -0.172 0.000 0.946 366 Q CB 0.196 28.815 28.738 -0.198 0.000 1.062 366 Q HN 0.601 nan 8.270 nan 0.000 0.503 367 L N -0.454 120.698 121.223 -0.118 0.000 2.718 367 L HA 0.074 4.418 4.340 0.007 0.000 0.152 367 L C 1.591 178.512 176.870 0.086 0.000 1.375 367 L CA 0.271 55.109 54.840 -0.003 0.000 2.008 367 L CB 0.166 42.248 42.059 0.038 0.000 2.549 367 L HN 0.102 nan 8.230 nan 0.000 0.557 368 E N -1.184 119.123 120.200 0.178 0.000 2.441 368 E HA 0.099 4.453 4.350 0.007 0.000 0.207 368 E C 1.277 177.963 176.600 0.143 0.000 0.803 368 E CA 0.607 57.084 56.400 0.128 0.000 1.240 368 E CB 0.845 30.596 29.700 0.085 0.000 1.233 368 E HN 0.706 nan 8.360 nan 0.000 0.590 369 G N 0.265 109.183 108.800 0.196 0.000 3.189 369 G HA2 0.096 4.060 3.960 0.007 0.000 0.225 369 G HA3 0.096 4.060 3.960 0.007 0.000 0.225 369 G C -0.086 174.737 174.900 -0.129 0.000 1.159 369 G CA -0.190 44.898 45.100 -0.020 0.000 0.763 369 G HN -0.075 nan 8.290 nan 0.000 0.549 370 F N 0.490 120.432 119.950 -0.013 0.000 2.332 370 F HA 0.587 5.118 4.527 0.007 0.000 0.368 370 F C 0.715 176.519 175.800 0.006 0.000 1.110 370 F CA -1.099 56.891 58.000 -0.018 0.000 1.087 370 F CB 2.061 41.028 39.000 -0.055 0.000 1.235 370 F HN -0.038 nan 8.300 nan 0.000 0.470 371 E N 0.114 120.400 120.200 0.142 0.000 2.441 371 E HA -0.025 4.329 4.350 0.007 0.000 0.207 371 E C 1.845 178.533 176.600 0.146 0.000 0.803 371 E CA 0.546 57.020 56.400 0.123 0.000 1.240 371 E CB 0.322 30.067 29.700 0.075 0.000 1.233 371 E HN 0.417 nan 8.360 nan 0.000 0.590 372 S N 0.565 116.355 115.700 0.149 0.000 2.593 372 S HA 0.109 4.583 4.470 0.007 0.000 0.217 372 S C 1.518 176.288 174.600 0.284 0.000 0.966 372 S CA -0.125 58.216 58.200 0.235 0.000 0.914 372 S CB 0.134 63.486 63.200 0.253 0.000 0.776 372 S HN -0.032 nan 8.310 nan 0.000 0.523 373 R N 2.247 122.855 120.500 0.181 0.000 2.052 373 R HA 0.204 4.547 4.340 0.007 0.000 0.226 373 R C 2.152 178.540 176.300 0.146 0.000 1.145 373 R CA 1.214 57.374 56.100 0.101 0.000 0.952 373 R CB -0.868 29.481 30.300 0.081 0.000 0.847 373 R HN 0.471 nan 8.270 nan 0.000 0.431 374 K N 1.041 121.524 120.400 0.140 0.000 2.063 374 K HA -0.072 4.251 4.320 0.007 0.000 0.208 374 K C 2.153 178.931 176.600 0.297 0.000 1.048 374 K CA 1.607 58.002 56.287 0.180 0.000 0.928 374 K CB -0.238 32.409 32.500 0.245 0.000 0.713 374 K HN 0.149 nan 8.250 nan 0.000 0.442 375 A N 0.758 123.730 122.820 0.253 0.000 1.933 375 A HA -0.112 4.212 4.320 0.007 0.000 0.218 375 A C 1.927 179.771 177.584 0.433 0.000 1.175 375 A CA 1.092 53.258 52.037 0.216 0.000 0.628 375 A CB -0.640 18.494 19.000 0.224 0.000 0.814 375 A HN 0.236 nan 8.150 nan 0.000 0.444 376 F N -2.209 117.958 119.950 0.361 0.000 2.325 376 F HA -0.017 4.514 4.527 0.006 0.000 0.299 376 F C 1.868 177.973 175.800 0.510 0.000 1.090 376 F CA 1.195 59.374 58.000 0.300 0.000 1.392 376 F CB -0.061 38.833 39.000 -0.177 0.000 1.053 376 F HN 0.373 nan 8.300 nan 0.000 0.521 377 F N -0.621 119.624 119.950 0.492 0.000 2.220 377 F HA -0.057 4.474 4.527 0.006 0.000 0.290 377 F C 2.090 178.183 175.800 0.489 0.000 1.080 377 F CA 0.627 58.940 58.000 0.522 0.000 1.318 377 F CB -0.450 38.713 39.000 0.271 0.000 1.063 377 F HN -0.155 nan 8.300 nan 0.000 0.498 378 L N 1.025 122.579 121.223 0.552 0.000 2.089 378 L HA -0.113 4.231 4.340 0.007 0.000 0.213 378 L C 2.329 179.451 176.870 0.420 0.000 1.079 378 L CA 2.247 57.309 54.840 0.370 0.000 0.758 378 L CB -1.547 40.608 42.059 0.160 0.000 0.891 378 L HN 0.250 nan 8.230 nan 0.000 0.433 379 G N -1.704 107.452 108.800 0.593 0.000 2.446 379 G HA2 -0.393 3.571 3.960 0.007 0.000 0.217 379 G HA3 -0.393 3.571 3.960 0.007 0.000 0.217 379 G C 1.603 176.815 174.900 0.520 0.000 1.168 379 G CA 1.040 46.533 45.100 0.654 0.000 0.771 379 G HN 0.578 nan 8.290 nan 0.000 0.551 380 Y N 0.695 121.262 120.300 0.444 0.000 2.220 380 Y HA 0.043 4.596 4.550 0.006 0.000 0.291 380 Y C 2.894 178.826 175.900 0.054 0.000 1.129 380 Y CA 1.469 59.737 58.100 0.280 0.000 1.161 380 Y CB -0.105 38.436 38.460 0.134 0.000 0.997 380 Y HN 0.096 nan 8.280 nan 0.000 0.522 381 M N 0.109 119.721 119.600 0.020 0.000 2.082 381 M HA -0.276 4.208 4.480 0.007 0.000 0.258 381 M C 2.080 178.352 176.300 -0.046 0.000 1.071 381 M CA 1.983 57.252 55.300 -0.052 0.000 1.103 381 M CB -0.660 31.997 32.600 0.097 0.000 1.307 381 M HN 0.341 nan 8.290 nan 0.000 0.409 382 I N 0.046 120.657 120.570 0.067 0.000 2.194 382 I HA -0.331 3.843 4.170 0.007 0.000 0.246 382 I C 2.019 178.120 176.117 -0.027 0.000 1.093 382 I CA 1.981 63.316 61.300 0.057 0.000 1.355 382 I CB -1.885 36.196 38.000 0.133 0.000 1.046 382 I HN 0.474 nan 8.210 nan 0.000 0.413 383 N N 0.978 119.649 118.700 -0.049 0.000 2.094 383 N HA -0.232 4.512 4.740 0.007 0.000 0.191 383 N C 1.977 177.390 175.510 -0.161 0.000 1.023 383 N CA 1.464 54.457 53.050 -0.095 0.000 0.857 383 N CB 0.017 38.486 38.487 -0.031 0.000 1.013 383 N HN 0.094 nan 8.380 nan 0.000 0.426 384 R N 0.318 120.655 120.500 -0.271 0.000 2.070 384 R HA -0.032 4.312 4.340 0.007 0.000 0.232 384 R C 2.131 178.330 176.300 -0.168 0.000 1.138 384 R CA 1.070 57.008 56.100 -0.271 0.000 0.936 384 R CB -1.154 28.936 30.300 -0.348 0.000 0.839 384 R HN 0.340 nan 8.270 nan 0.000 0.429 385 L N 0.309 121.457 121.223 -0.125 0.000 2.103 385 L HA -0.209 4.135 4.340 0.007 0.000 0.215 385 L C 1.683 178.474 176.870 -0.131 0.000 1.080 385 L CA 1.817 56.607 54.840 -0.084 0.000 0.764 385 L CB -0.208 41.839 42.059 -0.021 0.000 0.890 385 L HN 0.227 nan 8.230 nan 0.000 0.435 386 L N -2.068 119.079 121.223 -0.126 0.000 2.202 386 L HA -0.083 4.261 4.340 0.007 0.000 0.205 386 L C 2.345 179.122 176.870 -0.156 0.000 1.083 386 L CA 0.176 54.929 54.840 -0.146 0.000 0.790 386 L CB -0.500 41.496 42.059 -0.106 0.000 0.942 386 L HN 0.215 nan 8.230 nan 0.000 0.452 387 L N -0.267 120.876 121.223 -0.133 0.000 2.263 387 L HA -0.310 4.034 4.340 0.007 0.000 0.216 387 L C 2.541 179.340 176.870 -0.119 0.000 1.111 387 L CA 1.455 56.224 54.840 -0.117 0.000 0.773 387 L CB -0.456 41.539 42.059 -0.107 0.000 0.906 387 L HN 0.551 nan 8.230 nan 0.000 0.439 388 C N -1.217 117.995 119.300 -0.145 0.000 2.558 388 C HA 0.222 4.686 4.460 0.007 0.000 0.288 388 C C 2.846 177.697 174.990 -0.232 0.000 1.338 388 C CA 0.453 59.395 59.018 -0.127 0.000 1.760 388 C CB -0.166 27.529 27.740 -0.075 0.000 2.159 388 C HN 0.504 nan 8.230 nan 0.000 0.518 389 A N 0.175 122.725 122.820 -0.450 0.000 2.067 389 A HA 0.211 4.535 4.320 0.007 0.000 0.217 389 A C 1.955 179.392 177.584 -0.245 0.000 1.156 389 A CA 0.867 52.519 52.037 -0.642 0.000 0.683 389 A CB -0.503 18.054 19.000 -0.737 0.000 0.808 389 A HN 0.629 nan 8.150 nan 0.000 0.455 390 L N -0.726 120.388 121.223 -0.181 0.000 2.554 390 L HA 0.001 4.345 4.340 0.007 0.000 0.226 390 L C -0.226 176.591 176.870 -0.088 0.000 1.137 390 L CA 0.220 54.984 54.840 -0.126 0.000 0.863 390 L CB -0.237 41.738 42.059 -0.140 0.000 0.985 390 L HN 0.337 nan 8.230 nan 0.000 0.451 391 D N 0.137 120.494 120.400 -0.073 0.000 2.739 391 D HA -0.187 4.457 4.640 0.007 0.000 0.240 391 D C 1.033 177.310 176.300 -0.039 0.000 1.114 391 D CA 0.556 54.535 54.000 -0.034 0.000 0.695 391 D CB -0.449 40.343 40.800 -0.013 0.000 1.078 391 D HN 0.403 nan 8.370 nan 0.000 0.434 392 R N -0.445 120.024 120.500 -0.051 0.000 2.191 392 R HA 0.096 4.439 4.340 0.007 0.000 0.196 392 R C 0.599 176.879 176.300 -0.034 0.000 0.991 392 R CA 0.286 56.360 56.100 -0.044 0.000 1.075 392 R CB 0.402 30.669 30.300 -0.055 0.000 1.040 392 R HN -0.158 nan 8.270 nan 0.000 0.526 393 K N 1.489 121.865 120.400 -0.041 0.000 2.156 393 K HA 0.160 4.484 4.320 0.007 0.000 0.254 393 K C -1.352 175.238 176.600 -0.016 0.000 0.950 393 K CA -0.796 55.471 56.287 -0.032 0.000 0.849 393 K CB 1.314 33.784 32.500 -0.051 0.000 1.100 393 K HN -0.020 nan 8.250 nan 0.000 0.434 394 D N 1.101 121.501 120.400 -0.000 0.000 2.193 394 D HA 0.128 4.772 4.640 0.007 0.000 0.249 394 D C -0.213 176.103 176.300 0.027 0.000 1.034 394 D CA -0.683 53.331 54.000 0.023 0.000 0.902 394 D CB 0.490 41.309 40.800 0.032 0.000 1.182 394 D HN 0.317 nan 8.370 nan 0.000 0.436 395 Q N 0.283 120.117 119.800 0.056 0.000 2.804 395 Q HA -0.152 4.192 4.340 0.007 0.000 0.397 395 Q C -0.663 175.369 176.000 0.054 0.000 1.225 395 Q CA 0.854 56.699 55.803 0.070 0.000 1.129 395 Q CB 0.223 29.039 28.738 0.130 0.000 1.182 395 Q HN 0.432 nan 8.270 nan 0.000 0.478 396 D N 1.402 121.796 120.400 -0.010 0.000 2.362 396 D HA 0.002 4.646 4.640 0.007 0.000 0.242 396 D C -0.637 175.778 176.300 0.192 0.000 1.132 396 D CA 0.118 54.127 54.000 0.015 0.000 0.907 396 D CB 0.551 41.263 40.800 -0.147 0.000 1.195 396 D HN 0.294 nan 8.370 nan 0.000 0.429 397 D N 0.879 121.386 120.400 0.178 0.000 2.441 397 D HA 0.043 4.687 4.640 0.007 0.000 0.221 397 D C 0.693 177.119 176.300 0.211 0.000 1.156 397 D CA -0.353 53.770 54.000 0.207 0.000 0.896 397 D CB 0.392 41.325 40.800 0.223 0.000 1.028 397 D HN 0.354 nan 8.370 nan 0.000 0.509 398 R N 1.758 122.400 120.500 0.237 0.000 2.397 398 R HA -0.072 4.272 4.340 0.007 0.000 0.213 398 R C -0.180 176.175 176.300 0.091 0.000 1.102 398 R CA 0.611 56.817 56.100 0.176 0.000 1.040 398 R CB 0.209 30.535 30.300 0.044 0.000 0.844 398 R HN 0.202 nan 8.270 nan 0.000 0.478 399 D N -0.053 120.383 120.400 0.061 0.000 2.538 399 D HA 0.028 4.672 4.640 0.007 0.000 0.231 399 D C -0.556 175.554 176.300 -0.316 0.000 1.229 399 D CA -0.074 53.901 54.000 -0.041 0.000 0.828 399 D CB 0.155 40.973 40.800 0.031 0.000 1.035 399 D HN 0.186 nan 8.370 nan 0.000 0.495 400 H N 0.761 119.674 119.070 -0.262 0.000 2.723 400 H HA -0.002 4.558 4.556 0.007 0.000 0.294 400 H C 0.697 175.955 175.328 -0.116 0.000 1.079 400 H CA -0.265 55.600 56.048 -0.305 0.000 1.411 400 H CB 0.461 30.154 29.762 -0.115 0.000 1.439 400 H HN -0.050 nan 8.280 nan 0.000 0.474 401 F N 4.116 123.948 119.950 -0.196 0.000 2.202 401 F HA -0.105 4.426 4.527 0.006 0.000 0.301 401 F C 2.240 178.092 175.800 0.088 0.000 1.082 401 F CA 1.698 59.689 58.000 -0.015 0.000 1.313 401 F CB -0.443 38.569 39.000 0.021 0.000 1.024 401 F HN 0.719 nan 8.300 nan 0.000 0.495 402 G N -0.621 108.368 108.800 0.314 0.000 2.422 402 G HA2 -0.246 3.717 3.960 0.007 0.000 0.218 402 G HA3 -0.246 3.717 3.960 0.007 0.000 0.218 402 G C 1.445 176.254 174.900 -0.151 0.000 1.140 402 G CA 0.323 45.464 45.100 0.069 0.000 0.775 402 G HN 0.308 nan 8.290 nan 0.000 0.545 403 K N 0.478 120.812 120.400 -0.111 0.000 2.708 403 K HA 0.228 4.552 4.320 0.007 0.000 0.219 403 K C 0.051 176.570 176.600 -0.134 0.000 1.068 403 K CA 0.125 56.317 56.287 -0.158 0.000 1.212 403 K CB 0.304 32.740 32.500 -0.108 0.000 0.978 403 K HN 0.166 nan 8.250 nan 0.000 0.475 404 K N 0.694 120.969 120.400 -0.209 0.000 2.395 404 K HA 0.457 4.781 4.320 0.007 0.000 0.247 404 K C -0.436 175.993 176.600 -0.284 0.000 0.973 404 K CA -1.110 55.043 56.287 -0.223 0.000 0.828 404 K CB 1.910 34.251 32.500 -0.265 0.000 1.272 404 K HN -0.134 nan 8.250 nan 0.000 0.439 405 R N 1.246 121.626 120.500 -0.200 0.000 2.807 405 R HA 0.541 4.885 4.340 0.007 0.000 0.276 405 R C -0.813 175.408 176.300 -0.133 0.000 0.979 405 R CA -0.890 55.108 56.100 -0.170 0.000 0.928 405 R CB 0.998 31.237 30.300 -0.101 0.000 1.191 405 R HN 0.507 nan 8.270 nan 0.000 0.471 406 L N 1.855 123.012 121.223 -0.111 0.000 2.305 406 L HA 0.398 4.742 4.340 0.007 0.000 0.284 406 L C -0.417 176.426 176.870 -0.044 0.000 1.013 406 L CA -0.862 53.939 54.840 -0.064 0.000 0.819 406 L CB 1.666 43.697 42.059 -0.047 0.000 1.227 406 L HN 0.250 nan 8.230 nan 0.000 0.417 407 D N 3.868 124.246 120.400 -0.037 0.000 2.316 407 D HA 0.349 4.993 4.640 0.007 0.000 0.245 407 D C 0.117 176.392 176.300 -0.043 0.000 1.171 407 D CA -0.200 53.784 54.000 -0.026 0.000 0.856 407 D CB 1.827 42.616 40.800 -0.017 0.000 1.090 407 D HN 0.132 nan 8.370 nan 0.000 0.476 408 L N 1.219 122.428 121.223 -0.022 0.000 2.874 408 L HA 0.369 4.713 4.340 0.007 0.000 0.229 408 L C 2.102 178.963 176.870 -0.015 0.000 1.200 408 L CA -0.430 54.395 54.840 -0.026 0.000 0.976 408 L CB -0.678 41.379 42.059 -0.003 0.000 1.887 408 L HN 0.374 nan 8.230 nan 0.000 0.543 409 A N 0.002 122.840 122.820 0.029 0.000 1.948 409 A HA -0.131 4.193 4.320 0.007 0.000 0.220 409 A C 2.014 179.647 177.584 0.081 0.000 1.177 409 A CA 1.977 54.078 52.037 0.107 0.000 0.636 409 A CB -1.206 17.941 19.000 0.246 0.000 0.815 409 A HN 0.852 nan 8.150 nan 0.000 0.449 410 G N 0.010 108.854 108.800 0.073 0.000 2.666 410 G HA2 -0.152 3.812 3.960 0.007 0.000 0.215 410 G HA3 -0.152 3.812 3.960 0.007 0.000 0.215 410 G C -0.253 174.627 174.900 -0.033 0.000 1.294 410 G CA 1.243 46.340 45.100 -0.004 0.000 0.811 410 G HN 0.444 nan 8.290 nan 0.000 0.594 411 P HA -0.112 nan 4.420 nan 0.000 0.218 411 P C 2.022 179.384 177.300 0.105 0.000 1.150 411 P CA 0.903 64.052 63.100 0.081 0.000 0.841 411 P CB -0.100 31.636 31.700 0.060 0.000 0.784 412 L N -1.652 119.626 121.223 0.092 0.000 1.950 412 L HA -0.163 4.181 4.340 0.007 0.000 0.210 412 L C 2.522 179.671 176.870 0.464 0.000 1.079 412 L CA 1.359 56.355 54.840 0.261 0.000 0.754 412 L CB -1.383 40.647 42.059 -0.048 0.000 0.889 412 L HN -0.091 nan 8.230 nan 0.000 0.433 413 L N 0.026 121.420 121.223 0.285 0.000 2.149 413 L HA -0.357 3.987 4.340 0.007 0.000 0.223 413 L C 2.638 179.474 176.870 -0.056 0.000 1.089 413 L CA 1.709 56.540 54.840 -0.016 0.000 0.800 413 L CB -0.680 41.042 42.059 -0.562 0.000 0.897 413 L HN 0.422 nan 8.230 nan 0.000 0.443 414 A N -0.867 121.934 122.820 -0.031 0.000 2.119 414 A HA -0.185 4.139 4.320 0.007 0.000 0.216 414 A C 2.186 179.922 177.584 0.253 0.000 1.152 414 A CA 1.277 53.459 52.037 0.243 0.000 0.708 414 A CB -0.320 18.869 19.000 0.314 0.000 0.805 414 A HN 0.673 nan 8.150 nan 0.000 0.460 415 Q N -0.775 119.143 119.800 0.196 0.000 2.204 415 Q HA 0.135 4.479 4.340 0.007 0.000 0.198 415 Q C 1.911 177.964 176.000 0.088 0.000 0.946 415 Q CA 0.811 56.709 55.803 0.158 0.000 0.859 415 Q CB -0.344 28.496 28.738 0.170 0.000 0.946 415 Q HN 0.497 nan 8.270 nan 0.000 0.474 416 L N 0.073 121.311 121.223 0.024 0.000 2.017 416 L HA -0.103 4.241 4.340 0.007 0.000 0.208 416 L C 2.293 179.155 176.870 -0.012 0.000 1.073 416 L CA 1.225 55.977 54.840 -0.146 0.000 0.745 416 L CB -0.255 41.552 42.059 -0.420 0.000 0.894 416 L HN 0.299 nan 8.230 nan 0.000 0.432 417 F N 0.665 120.597 119.950 -0.030 0.000 2.134 417 F HA -0.277 4.254 4.527 0.006 0.000 0.299 417 F C 2.545 178.388 175.800 0.071 0.000 1.097 417 F CA 1.809 59.830 58.000 0.034 0.000 1.264 417 F CB -0.179 38.899 39.000 0.129 0.000 1.001 417 F HN -0.056 nan 8.300 nan 0.000 0.479 418 K N -0.447 120.059 120.400 0.178 0.000 1.987 418 K HA -0.207 4.117 4.320 0.007 0.000 0.216 418 K C 2.008 178.610 176.600 0.004 0.000 1.051 418 K CA 2.345 58.704 56.287 0.120 0.000 0.942 418 K CB -0.631 31.955 32.500 0.143 0.000 0.722 418 K HN 0.235 nan 8.250 nan 0.000 0.444 419 T N 2.277 116.821 114.554 -0.017 0.000 2.565 419 T HA -0.239 4.115 4.350 0.007 0.000 0.265 419 T C 1.856 176.480 174.700 -0.128 0.000 1.082 419 T CA 1.956 64.016 62.100 -0.066 0.000 1.173 419 T CB -0.449 68.377 68.868 -0.070 0.000 0.864 419 T HN 0.180 nan 8.240 nan 0.000 0.425 420 L N -0.463 120.655 121.223 -0.176 0.000 2.042 420 L HA -0.095 4.249 4.340 0.007 0.000 0.210 420 L C 2.319 179.041 176.870 -0.246 0.000 1.076 420 L CA 1.496 56.207 54.840 -0.216 0.000 0.749 420 L CB -0.472 41.448 42.059 -0.231 0.000 0.893 420 L HN 0.241 nan 8.230 nan 0.000 0.432 421 F N 0.216 119.846 119.950 -0.533 0.000 2.615 421 F HA -0.052 4.479 4.527 0.006 0.000 0.297 421 F C 2.321 177.934 175.800 -0.312 0.000 1.124 421 F CA 0.915 58.590 58.000 -0.541 0.000 1.451 421 F CB -0.090 38.407 39.000 -0.837 0.000 1.103 421 F HN -0.148 nan 8.300 nan 0.000 0.569 422 K N 0.222 120.446 120.400 -0.294 0.000 2.137 422 K HA -0.104 4.220 4.320 0.007 0.000 0.202 422 K C 2.317 178.777 176.600 -0.234 0.000 1.052 422 K CA 0.445 56.574 56.287 -0.263 0.000 0.961 422 K CB -0.066 32.370 32.500 -0.108 0.000 0.741 422 K HN -0.031 nan 8.250 nan 0.000 0.452 423 K N 1.307 121.590 120.400 -0.194 0.000 2.057 423 K HA -0.166 4.158 4.320 0.007 0.000 0.207 423 K C 2.142 178.636 176.600 -0.176 0.000 1.049 423 K CA 1.126 57.319 56.287 -0.156 0.000 0.931 423 K CB -0.277 32.141 32.500 -0.136 0.000 0.714 423 K HN 0.166 nan 8.250 nan 0.000 0.440 424 L N 0.878 121.954 121.223 -0.246 0.000 2.056 424 L HA -0.130 4.214 4.340 0.007 0.000 0.207 424 L C 2.384 179.093 176.870 -0.268 0.000 1.078 424 L CA 2.156 56.850 54.840 -0.243 0.000 0.749 424 L CB -1.009 40.891 42.059 -0.264 0.000 0.901 424 L HN 0.124 nan 8.230 nan 0.000 0.433 425 T N -0.560 113.717 114.554 -0.461 0.000 2.674 425 T HA -0.241 4.113 4.350 0.007 0.000 0.265 425 T C 1.865 176.531 174.700 -0.057 0.000 1.039 425 T CA 1.929 63.819 62.100 -0.349 0.000 1.150 425 T CB -0.177 68.359 68.868 -0.554 0.000 0.864 425 T HN 0.516 nan 8.240 nan 0.000 0.427 426 K N 0.454 120.822 120.400 -0.053 0.000 2.296 426 K HA -0.007 4.316 4.320 0.007 0.000 0.200 426 K C 1.966 178.599 176.600 0.056 0.000 1.048 426 K CA 1.421 57.738 56.287 0.050 0.000 0.966 426 K CB -0.290 32.200 32.500 -0.017 0.000 0.754 426 K HN 0.173 nan 8.250 nan 0.000 0.466 427 D N 0.289 120.689 120.400 0.000 0.000 2.183 427 D HA -0.074 4.570 4.640 0.007 0.000 0.203 427 D C 1.112 177.460 176.300 0.078 0.000 0.969 427 D CA 0.655 54.663 54.000 0.013 0.000 0.842 427 D CB 0.193 40.970 40.800 -0.039 0.000 0.957 427 D HN 0.252 nan 8.370 nan 0.000 0.484 428 I N 0.389 121.013 120.570 0.091 0.000 3.875 428 I HA 0.008 4.182 4.170 0.007 0.000 0.329 428 I C 1.253 177.490 176.117 0.199 0.000 1.295 428 I CA 0.050 61.434 61.300 0.139 0.000 1.129 428 I CB -0.670 37.385 38.000 0.092 0.000 1.008 428 I HN -0.035 nan 8.210 nan 0.000 0.413 429 F N 1.163 121.139 119.950 0.045 0.000 2.219 429 F HA -0.056 4.475 4.527 0.006 0.000 0.294 429 F C 2.557 178.373 175.800 0.027 0.000 1.086 429 F CA 0.670 58.687 58.000 0.027 0.000 1.330 429 F CB 0.119 39.120 39.000 0.002 0.000 1.047 429 F HN -0.080 nan 8.300 nan 0.000 0.495 430 R N -0.765 119.920 120.500 0.307 0.000 2.096 430 R HA -0.235 4.109 4.340 0.007 0.000 0.235 430 R C 2.035 178.441 176.300 0.175 0.000 1.127 430 R CA 1.826 58.034 56.100 0.180 0.000 0.968 430 R CB -0.795 29.561 30.300 0.095 0.000 0.861 430 R HN 0.426 nan 8.270 nan 0.000 0.440 431 Y N 0.561 120.905 120.300 0.073 0.000 2.497 431 Y HA -0.131 4.423 4.550 0.007 0.000 0.292 431 Y C 2.083 178.008 175.900 0.043 0.000 1.137 431 Y CA 1.210 59.337 58.100 0.045 0.000 1.285 431 Y CB -0.021 38.458 38.460 0.032 0.000 0.991 431 Y HN -0.043 nan 8.280 nan 0.000 0.556 432 M N -0.595 119.005 119.600 0.001 0.000 2.288 432 M HA -0.148 4.336 4.480 0.007 0.000 0.266 432 M C 1.962 178.215 176.300 -0.079 0.000 1.072 432 M CA 1.438 56.676 55.300 -0.104 0.000 1.132 432 M CB 0.112 32.665 32.600 -0.078 0.000 1.386 432 M HN 0.275 nan 8.290 nan 0.000 0.432 433 Q N -0.558 119.263 119.800 0.034 0.000 1.994 433 Q HA -0.139 4.205 4.340 0.007 0.000 0.198 433 Q C 2.079 178.057 176.000 -0.036 0.000 0.976 433 Q CA 1.317 57.140 55.803 0.034 0.000 0.828 433 Q CB -0.343 28.444 28.738 0.081 0.000 0.894 433 Q HN 0.417 nan 8.270 nan 0.000 0.432 434 R N 0.380 120.853 120.500 -0.045 0.000 2.170 434 R HA -0.155 4.188 4.340 0.007 0.000 0.242 434 R C 1.751 177.979 176.300 -0.121 0.000 1.145 434 R CA 1.618 57.682 56.100 -0.060 0.000 0.984 434 R CB -0.166 30.121 30.300 -0.022 0.000 0.869 434 R HN 0.263 nan 8.270 nan 0.000 0.455 435 T N 0.539 114.952 114.554 -0.234 0.000 2.759 435 T HA -0.143 4.211 4.350 0.007 0.000 0.269 435 T C 1.637 176.256 174.700 -0.134 0.000 1.042 435 T CA 2.071 64.016 62.100 -0.259 0.000 1.140 435 T CB -0.391 68.233 68.868 -0.408 0.000 0.864 435 T HN 0.419 nan 8.240 nan 0.000 0.455 436 V N -2.196 117.658 119.914 -0.100 0.000 0.739 436 V HA -0.382 3.742 4.120 0.007 0.000 0.060 436 V C 0.045 176.108 176.094 -0.053 0.000 2.496 436 V CA 2.129 64.394 62.300 -0.060 0.000 3.534 436 V CB -1.942 29.858 31.823 -0.040 0.000 1.205 436 V HN 0.663 nan 8.190 nan 0.000 1.061 447 A N 4.731 127.451 122.820 -0.166 0.000 2.596 447 A HA -0.193 4.131 4.320 0.007 0.000 0.300 447 A C 0.257 177.570 177.584 -0.450 0.000 1.495 447 A CA 1.369 53.168 52.037 -0.396 0.000 0.769 447 A CB -1.811 16.766 19.000 -0.704 0.000 1.047 447 A HN 0.557 nan 8.150 nan 0.000 0.436 448 I N 0.594 121.052 120.570 -0.188 0.000 2.315 448 I HA 0.101 4.274 4.170 0.007 0.000 0.291 448 I C 0.666 176.728 176.117 -0.093 0.000 1.006 448 I CA -0.308 60.928 61.300 -0.107 0.000 1.265 448 I CB 1.155 39.144 38.000 -0.020 0.000 1.387 448 I HN 0.539 nan 8.210 nan 0.000 0.475 449 N N 5.598 124.239 118.700 -0.098 0.000 2.549 449 N HA 0.191 4.935 4.740 0.007 0.000 0.267 449 N C 1.010 176.469 175.510 -0.086 0.000 1.182 449 N CA 0.062 53.065 53.050 -0.079 0.000 1.019 449 N CB 0.913 39.356 38.487 -0.073 0.000 1.380 449 N HN 0.687 nan 8.380 nan 0.000 0.505 450 A N 3.968 126.740 122.820 -0.080 0.000 1.873 450 A HA -0.214 4.110 4.320 0.007 0.000 0.218 450 A C 2.036 179.552 177.584 -0.114 0.000 1.193 450 A CA 1.291 53.230 52.037 -0.163 0.000 0.629 450 A CB -0.543 18.380 19.000 -0.129 0.000 0.826 450 A HN 0.709 nan 8.150 nan 0.000 0.447 451 K N -0.913 119.466 120.400 -0.036 0.000 2.304 451 K HA -0.189 4.135 4.320 0.007 0.000 0.204 451 K C 1.946 178.519 176.600 -0.045 0.000 1.044 451 K CA 1.711 57.988 56.287 -0.017 0.000 0.932 451 K CB -0.369 32.133 32.500 0.004 0.000 0.735 451 K HN 0.588 nan 8.250 nan 0.000 0.468 452 T N 1.617 116.128 114.554 -0.072 0.000 2.580 452 T HA -0.186 4.168 4.350 0.007 0.000 0.265 452 T C 1.838 176.483 174.700 -0.091 0.000 1.063 452 T CA 1.682 63.730 62.100 -0.087 0.000 1.170 452 T CB -0.156 68.647 68.868 -0.107 0.000 0.863 452 T HN 0.169 nan 8.240 nan 0.000 0.418 453 I N 1.183 121.689 120.570 -0.107 0.000 2.045 453 I HA -0.234 3.940 4.170 0.007 0.000 0.233 453 I C 2.749 178.840 176.117 -0.043 0.000 1.048 453 I CA 1.723 62.970 61.300 -0.088 0.000 1.313 453 I CB -1.375 36.569 38.000 -0.093 0.000 1.043 453 I HN 0.342 nan 8.210 nan 0.000 0.393 454 T N 0.475 115.002 114.554 -0.045 0.000 2.635 454 T HA -0.306 4.048 4.350 0.007 0.000 0.265 454 T C 1.803 176.513 174.700 0.016 0.000 1.058 454 T CA 2.462 64.563 62.100 0.002 0.000 1.162 454 T CB -0.693 68.191 68.868 0.027 0.000 0.859 454 T HN 0.560 nan 8.240 nan 0.000 0.449 455 S N 0.669 116.372 115.700 0.006 0.000 2.517 455 S HA 0.293 4.767 4.470 0.007 0.000 0.214 455 S C 2.182 176.794 174.600 0.019 0.000 0.991 455 S CA 0.588 58.801 58.200 0.022 0.000 0.906 455 S CB -0.165 63.047 63.200 0.020 0.000 0.789 455 S HN 0.560 nan 8.310 nan 0.000 0.513 456 G N 1.988 110.776 108.800 -0.020 0.000 2.396 456 G HA2 0.071 4.035 3.960 0.007 0.000 0.214 456 G HA3 0.071 4.035 3.960 0.007 0.000 0.214 456 G C 1.339 176.215 174.900 -0.041 0.000 1.166 456 G CA 0.497 45.572 45.100 -0.042 0.000 0.793 456 G HN 0.485 nan 8.290 nan 0.000 0.533 457 L N -0.249 120.947 121.223 -0.045 0.000 2.141 457 L HA 0.024 4.368 4.340 0.007 0.000 0.209 457 L C 2.873 179.708 176.870 -0.057 0.000 1.094 457 L CA 0.976 55.771 54.840 -0.074 0.000 0.763 457 L CB -0.103 41.947 42.059 -0.015 0.000 0.908 457 L HN 0.153 nan 8.230 nan 0.000 0.437 458 K N -1.348 119.054 120.400 0.003 0.000 2.167 458 K HA -0.175 4.149 4.320 0.007 0.000 0.203 458 K C 2.012 178.630 176.600 0.030 0.000 1.052 458 K CA 1.059 57.359 56.287 0.022 0.000 0.956 458 K CB -0.094 32.435 32.500 0.048 0.000 0.735 458 K HN 0.166 nan 8.250 nan 0.000 0.451 459 Y N 1.129 121.399 120.300 -0.049 0.000 2.133 459 Y HA -0.188 4.366 4.550 0.007 0.000 0.287 459 Y C 2.118 177.997 175.900 -0.035 0.000 1.134 459 Y CA 1.497 59.575 58.100 -0.037 0.000 1.133 459 Y CB -0.358 38.072 38.460 -0.051 0.000 0.987 459 Y HN 0.013 nan 8.280 nan 0.000 0.502 460 A N 0.402 123.197 122.820 -0.042 0.000 1.908 460 A HA -0.169 4.155 4.320 0.007 0.000 0.218 460 A C 2.103 179.710 177.584 0.037 0.000 1.181 460 A CA 1.832 53.772 52.037 -0.162 0.000 0.627 460 A CB -1.012 17.626 19.000 -0.604 0.000 0.818 460 A HN 0.494 nan 8.150 nan 0.000 0.445 461 L N -0.939 120.307 121.223 0.039 0.000 2.156 461 L HA -0.055 4.289 4.340 0.007 0.000 0.208 461 L C 2.903 179.794 176.870 0.036 0.000 1.095 461 L CA 1.840 56.758 54.840 0.131 0.000 0.770 461 L CB -1.594 40.467 42.059 0.002 0.000 0.914 461 L HN 0.457 nan 8.230 nan 0.000 0.439 462 A N -0.421 122.365 122.820 -0.056 0.000 1.872 462 A HA -0.150 4.174 4.320 0.007 0.000 0.214 462 A C 2.289 179.802 177.584 -0.119 0.000 1.187 462 A CA 2.081 54.075 52.037 -0.072 0.000 0.614 462 A CB -0.643 18.313 19.000 -0.073 0.000 0.826 462 A HN 0.493 nan 8.150 nan 0.000 0.442 463 T N -4.453 109.939 114.554 -0.271 0.000 3.031 463 T HA 0.383 4.737 4.350 0.007 0.000 0.254 463 T C 1.410 176.053 174.700 -0.094 0.000 1.060 463 T CA 1.129 63.084 62.100 -0.241 0.000 1.135 463 T CB -0.250 68.322 68.868 -0.495 0.000 0.896 463 T HN 1.750 nan 8.240 nan 0.000 0.472 464 G N 2.085 110.872 108.800 -0.021 0.000 2.225 464 G HA2 -0.196 3.768 3.960 0.007 0.000 0.264 464 G HA3 -0.196 3.768 3.960 0.007 0.000 0.264 464 G C -0.336 174.659 174.900 0.159 0.000 1.060 464 G CA -0.198 44.980 45.100 0.131 0.000 0.833 464 G HN 0.563 nan 8.290 nan 0.000 0.498 465 N N 0.277 119.059 118.700 0.136 0.000 2.936 465 N HA 0.156 4.900 4.740 0.007 0.000 0.243 465 N C -0.006 175.660 175.510 0.259 0.000 1.149 465 N CA -0.618 52.539 53.050 0.178 0.000 0.914 465 N CB 0.316 38.896 38.487 0.155 0.000 1.179 465 N HN 0.450 nan 8.380 nan 0.000 0.502 466 W N 2.040 123.360 121.300 0.033 0.000 2.315 466 W HA 0.197 4.860 4.660 0.006 0.000 0.482 466 W C 0.423 176.973 176.519 0.052 0.000 0.955 466 W CA 0.233 57.599 57.345 0.033 0.000 1.803 466 W CB -0.149 29.319 29.460 0.013 0.000 1.718 466 W HN 0.631 nan 8.180 nan 0.000 0.332 467 G N 2.630 111.362 108.800 -0.113 0.000 4.362 467 G HA2 -0.158 3.806 3.960 0.007 0.000 0.220 467 G HA3 -0.158 3.806 3.960 0.007 0.000 0.220 467 G C -0.199 174.652 174.900 -0.082 0.000 0.795 467 G CA -0.086 44.947 45.100 -0.111 0.000 0.920 467 G HN 0.355 nan 8.290 nan 0.000 0.715 468 E N 1.003 121.201 120.200 -0.004 0.000 7.594 468 E HA -0.270 4.083 4.350 0.007 0.000 0.456 468 E C 0.769 177.243 176.600 -0.211 0.000 0.371 468 E CA 1.437 57.773 56.400 -0.106 0.000 0.673 468 E CB -0.942 28.670 29.700 -0.146 0.000 0.967 468 E HN 1.702 nan 8.360 nan 0.000 0.264 469 Q N 2.073 121.610 119.800 -0.439 0.000 2.278 469 Q HA -0.309 4.035 4.340 0.007 0.000 0.316 469 Q C -0.030 175.888 176.000 -0.137 0.000 1.170 469 Q CA 2.348 57.968 55.803 -0.304 0.000 0.973 469 Q CB -0.507 28.050 28.738 -0.302 0.000 1.269 469 Q HN 0.597 nan 8.270 nan 0.000 0.500 470 K N 0.399 120.755 120.400 -0.074 0.000 2.524 470 K HA 0.003 4.327 4.320 0.007 0.000 0.210 470 K C 0.600 177.206 176.600 0.010 0.000 1.340 470 K CA 0.535 56.805 56.287 -0.029 0.000 0.880 470 K CB 0.422 32.908 32.500 -0.022 0.000 1.616 470 K HN 0.300 nan 8.250 nan 0.000 0.457 471 K N -0.114 120.314 120.400 0.048 0.000 3.377 471 K HA -0.296 4.028 4.320 0.007 0.000 0.314 471 K C 0.785 177.414 176.600 0.048 0.000 1.246 471 K CA 1.619 57.948 56.287 0.070 0.000 0.961 471 K CB -2.368 30.183 32.500 0.084 0.000 1.233 471 K HN 0.239 nan 8.250 nan 0.000 0.428 472 A N 0.843 123.682 122.820 0.031 0.000 1.873 472 A HA -0.016 4.308 4.320 0.007 0.000 0.218 472 A C 1.385 178.991 177.584 0.036 0.000 1.193 472 A CA 1.885 53.937 52.037 0.025 0.000 0.629 472 A CB -0.392 18.615 19.000 0.012 0.000 0.826 472 A HN 0.464 nan 8.150 nan 0.000 0.447 473 M N 2.153 121.780 119.600 0.044 0.000 3.353 473 M HA -0.017 4.467 4.480 0.007 0.000 0.233 473 M C 0.896 177.246 176.300 0.083 0.000 1.712 473 M CA 0.270 55.610 55.300 0.067 0.000 1.722 473 M CB -0.595 32.050 32.600 0.077 0.000 1.419 473 M HN 0.341 nan 8.290 nan 0.000 0.508 474 S N -1.329 114.410 115.700 0.065 0.000 2.751 474 S HA -0.114 4.360 4.470 0.007 0.000 0.248 474 S C 1.548 176.191 174.600 0.071 0.000 0.979 474 S CA 0.627 58.863 58.200 0.060 0.000 0.987 474 S CB -0.601 62.625 63.200 0.043 0.000 0.777 474 S HN 0.685 nan 8.310 nan 0.000 0.544 475 S N 1.562 117.323 115.700 0.102 0.000 2.595 475 S HA 0.020 4.494 4.470 0.007 0.000 0.235 475 S C 1.696 176.360 174.600 0.108 0.000 0.974 475 S CA 0.021 58.291 58.200 0.117 0.000 0.942 475 S CB -0.114 63.208 63.200 0.203 0.000 0.766 475 S HN 0.528 nan 8.310 nan 0.000 0.536 476 R N 1.988 122.544 120.500 0.094 0.000 2.224 476 R HA -0.336 4.008 4.340 0.007 0.000 0.255 476 R C 2.387 178.714 176.300 0.046 0.000 1.130 476 R CA 1.635 57.776 56.100 0.068 0.000 0.957 476 R CB -1.025 29.307 30.300 0.053 0.000 0.907 476 R HN 0.466 nan 8.270 nan 0.000 0.446 477 A N -0.575 122.267 122.820 0.037 0.000 2.144 477 A HA -0.319 4.005 4.320 0.007 0.000 0.229 477 A C 1.373 178.959 177.584 0.003 0.000 1.587 477 A CA 2.521 54.569 52.037 0.018 0.000 0.727 477 A CB -0.866 18.144 19.000 0.016 0.000 0.836 477 A HN 0.751 nan 8.150 nan 0.000 0.557 478 G N -4.323 104.477 108.800 0.001 0.000 2.011 478 G HA2 0.358 4.322 3.960 0.007 0.000 0.054 478 G HA3 0.358 4.322 3.960 0.007 0.000 0.054 478 G C 0.251 175.130 174.900 -0.035 0.000 0.853 478 G CA 0.441 45.534 45.100 -0.011 0.000 1.135 478 G HN 1.765 nan 8.290 nan 0.000 0.372 479 V N 0.046 119.895 119.914 -0.108 0.000 3.814 479 V HA 0.231 4.355 4.120 0.007 0.000 0.480 479 V C 0.698 176.673 176.094 -0.198 0.000 0.682 479 V CA 1.243 63.382 62.300 -0.269 0.000 1.959 479 V CB -1.952 29.654 31.823 -0.361 0.000 2.372 479 V HN 2.941 nan 8.190 nan 0.000 0.501 480 S N 2.193 117.779 115.700 -0.190 0.000 3.388 480 S HA -0.153 4.321 4.470 0.007 0.000 0.569 480 S C -0.524 174.076 174.600 0.001 0.000 0.676 480 S CA 1.337 59.500 58.200 -0.061 0.000 1.373 480 S CB -0.871 62.331 63.200 0.003 0.000 1.106 480 S HN 1.809 nan 8.310 nan 0.000 0.833 481 Q N 2.015 121.829 119.800 0.024 0.000 2.552 481 Q HA 0.810 5.154 4.340 0.007 0.000 0.289 481 Q C 0.179 176.227 176.000 0.080 0.000 1.097 481 Q CA -1.005 54.840 55.803 0.069 0.000 0.812 481 Q CB 1.555 30.375 28.738 0.136 0.000 1.460 481 Q HN 1.082 nan 8.270 nan 0.000 0.452 482 V N -0.600 119.361 119.914 0.079 0.000 2.740 482 V HA 0.134 4.258 4.120 0.007 0.000 0.303 482 V C 0.747 176.900 176.094 0.099 0.000 1.054 482 V CA -0.624 61.706 62.300 0.050 0.000 1.106 482 V CB -0.215 31.616 31.823 0.013 0.000 0.957 482 V HN 0.676 nan 8.190 nan 0.000 0.486 483 L N 2.239 123.456 121.223 -0.010 0.000 2.309 483 L HA 0.116 4.460 4.340 0.007 0.000 0.225 483 L C 0.642 177.571 176.870 0.098 0.000 1.209 483 L CA 0.520 55.335 54.840 -0.042 0.000 0.822 483 L CB 0.323 42.221 42.059 -0.267 0.000 1.148 483 L HN 1.007 nan 8.230 nan 0.000 0.591 484 N N 0.244 119.002 118.700 0.095 0.000 2.533 484 N HA 0.279 5.023 4.740 0.007 0.000 0.289 484 N C -1.020 174.455 175.510 -0.057 0.000 1.103 484 N CA -0.381 52.679 53.050 0.017 0.000 0.877 484 N CB 1.218 39.708 38.487 0.005 0.000 1.419 484 N HN 0.444 nan 8.380 nan 0.000 0.517 485 R N 2.775 123.193 120.500 -0.136 0.000 2.748 485 R HA 0.156 4.500 4.340 0.007 0.000 0.395 485 R C 0.227 176.362 176.300 -0.274 0.000 1.128 485 R CA -0.314 55.631 56.100 -0.258 0.000 1.042 485 R CB 0.198 30.210 30.300 -0.481 0.000 1.392 485 R HN 0.497 nan 8.270 nan 0.000 0.582 486 Y N 0.102 120.286 120.300 -0.195 0.000 2.130 486 Y HA 0.055 4.608 4.550 0.006 0.000 0.287 486 Y C 0.946 176.848 175.900 0.003 0.000 1.124 486 Y CA 1.247 59.271 58.100 -0.127 0.000 1.118 486 Y CB 0.601 39.003 38.460 -0.097 0.000 0.994 486 Y HN -0.117 nan 8.280 nan 0.000 0.497 487 T N -1.352 113.275 114.554 0.123 0.000 2.916 487 T HA 0.147 4.501 4.350 0.007 0.000 0.292 487 T C 0.019 174.821 174.700 0.171 0.000 1.064 487 T CA -0.558 61.616 62.100 0.124 0.000 1.011 487 T CB 1.104 70.051 68.868 0.132 0.000 1.152 487 T HN 0.167 nan 8.240 nan 0.000 0.510 488 Y N 2.347 122.679 120.300 0.053 0.000 2.040 488 Y HA -0.220 4.334 4.550 0.006 0.000 0.275 488 Y C 2.721 178.660 175.900 0.065 0.000 1.171 488 Y CA 2.744 60.865 58.100 0.036 0.000 1.123 488 Y CB -0.552 37.870 38.460 -0.064 0.000 0.963 488 Y HN 0.646 nan 8.280 nan 0.000 0.493 489 S N -1.496 114.267 115.700 0.105 0.000 2.555 489 S HA -0.127 4.347 4.470 0.007 0.000 0.230 489 S C 2.176 176.774 174.600 -0.004 0.000 0.978 489 S CA 0.880 59.095 58.200 0.024 0.000 0.934 489 S CB -0.750 62.539 63.200 0.149 0.000 0.766 489 S HN 0.490 nan 8.310 nan 0.000 0.533 490 S N 1.384 117.099 115.700 0.025 0.000 2.368 490 S HA -0.109 4.365 4.470 0.007 0.000 0.224 490 S C 1.896 176.488 174.600 -0.012 0.000 1.029 490 S CA 1.841 60.052 58.200 0.018 0.000 0.988 490 S CB -1.138 62.100 63.200 0.064 0.000 0.838 490 S HN 0.668 nan 8.310 nan 0.000 0.462 491 T N 2.587 117.105 114.554 -0.060 0.000 2.737 491 T HA 0.090 4.444 4.350 0.007 0.000 0.265 491 T C 1.750 176.381 174.700 -0.116 0.000 1.038 491 T CA 1.304 63.351 62.100 -0.088 0.000 1.144 491 T CB -0.419 68.357 68.868 -0.154 0.000 0.866 491 T HN 0.288 nan 8.240 nan 0.000 0.434 492 L N 0.870 121.963 121.223 -0.216 0.000 2.042 492 L HA -0.139 4.205 4.340 0.007 0.000 0.210 492 L C 2.862 179.687 176.870 -0.076 0.000 1.076 492 L CA 1.285 56.013 54.840 -0.188 0.000 0.749 492 L CB -0.502 41.421 42.059 -0.227 0.000 0.893 492 L HN 0.312 nan 8.230 nan 0.000 0.432 493 S N -1.333 114.343 115.700 -0.040 0.000 2.382 493 S HA -0.291 4.183 4.470 0.007 0.000 0.228 493 S C 2.016 176.645 174.600 0.048 0.000 1.027 493 S CA 1.406 59.603 58.200 -0.004 0.000 0.991 493 S CB -0.377 62.821 63.200 -0.005 0.000 0.823 493 S HN 0.580 nan 8.310 nan 0.000 0.469 494 H N -0.277 118.750 119.070 -0.072 0.000 2.470 494 H HA 0.185 4.745 4.556 0.006 0.000 0.289 494 H C 1.886 177.177 175.328 -0.060 0.000 1.033 494 H CA 0.825 56.834 56.048 -0.066 0.000 1.331 494 H CB 0.021 29.738 29.762 -0.074 0.000 1.414 494 H HN 0.358 nan 8.280 nan 0.000 0.545 495 L N 0.393 121.588 121.223 -0.046 0.000 2.376 495 L HA -0.028 4.315 4.340 0.007 0.000 0.219 495 L C 1.011 177.841 176.870 -0.066 0.000 1.133 495 L CA 0.815 55.590 54.840 -0.109 0.000 0.816 495 L CB 0.119 42.132 42.059 -0.077 0.000 0.933 495 L HN 0.205 nan 8.230 nan 0.000 0.449 496 R N -0.423 120.060 120.500 -0.028 0.000 2.865 496 R HA 0.257 4.601 4.340 0.007 0.000 0.370 496 R C -0.007 176.286 176.300 -0.013 0.000 1.168 496 R CA -0.217 55.868 56.100 -0.024 0.000 1.058 496 R CB 0.565 30.853 30.300 -0.019 0.000 1.419 496 R HN 0.107 nan 8.270 nan 0.000 0.580 497 R N 0.049 120.548 120.500 -0.001 0.000 2.674 497 R HA 0.421 4.764 4.340 0.007 0.000 0.266 497 R C -0.568 175.729 176.300 -0.006 0.000 1.016 497 R CA -0.163 55.943 56.100 0.011 0.000 1.062 497 R CB 1.703 32.043 30.300 0.067 0.000 1.142 497 R HN -0.098 nan 8.270 nan 0.000 0.517 498 T N 1.142 115.692 114.554 -0.006 0.000 2.893 498 T HA 0.371 4.724 4.350 0.007 0.000 0.291 498 T C -1.338 173.358 174.700 -0.005 0.000 1.028 498 T CA -0.676 61.422 62.100 -0.003 0.000 0.995 498 T CB 1.367 70.241 68.868 0.010 0.000 1.051 498 T HN 0.504 nan 8.240 nan 0.000 0.470 499 N N 0.550 119.246 118.700 -0.007 0.000 2.242 499 N HA 0.621 5.365 4.740 0.007 0.000 0.292 499 N C -1.753 173.758 175.510 0.003 0.000 1.125 499 N CA -0.459 52.587 53.050 -0.006 0.000 0.783 499 N CB 2.052 40.528 38.487 -0.018 0.000 1.558 499 N HN 0.519 nan 8.380 nan 0.000 0.472 500 T N 2.334 116.894 114.554 0.010 0.000 3.031 500 T HA 0.509 4.863 4.350 0.007 0.000 0.305 500 T C -2.626 172.083 174.700 0.015 0.000 0.985 500 T CA -0.785 61.327 62.100 0.020 0.000 1.008 500 T CB 1.705 70.596 68.868 0.038 0.000 1.005 500 T HN 0.374 nan 8.240 nan 0.000 0.444 501 P HA 0.686 nan 4.420 nan 0.000 0.279 501 P C 0.472 177.780 177.300 0.013 0.000 1.282 501 P CA -0.576 62.532 63.100 0.013 0.000 0.788 501 P CB 0.424 32.133 31.700 0.014 0.000 1.139 510 K N 1.001 121.416 120.400 0.024 0.000 3.022 510 K HA 0.322 4.646 4.320 0.007 0.000 0.178 510 K C -2.192 174.442 176.600 0.056 0.000 1.089 510 K CA -1.280 55.030 56.287 0.037 0.000 0.916 510 K CB 1.655 34.181 32.500 0.044 0.000 1.159 510 K HN 0.246 nan 8.250 nan 0.000 0.592 511 P HA -0.093 nan 4.420 nan 0.000 0.227 511 P C 0.477 177.825 177.300 0.080 0.000 1.161 511 P CA 0.728 63.870 63.100 0.069 0.000 0.788 511 P CB 0.379 32.110 31.700 0.051 0.000 0.822 512 R N -0.804 119.731 120.500 0.057 0.000 2.161 512 R HA 0.071 4.415 4.340 0.007 0.000 0.213 512 R C 1.060 177.397 176.300 0.062 0.000 1.055 512 R CA 0.106 56.235 56.100 0.049 0.000 0.996 512 R CB -0.760 29.557 30.300 0.029 0.000 0.901 512 R HN 0.167 nan 8.270 nan 0.000 0.456 513 Q N 1.782 121.623 119.800 0.069 0.000 2.286 513 Q HA 0.004 4.348 4.340 0.007 0.000 0.290 513 Q C -0.746 175.328 176.000 0.122 0.000 1.049 513 Q CA 0.083 55.928 55.803 0.069 0.000 0.923 513 Q CB 0.621 29.392 28.738 0.055 0.000 1.183 513 Q HN 0.084 nan 8.270 nan 0.000 0.383 514 L N 4.619 125.907 121.223 0.109 0.000 2.456 514 L HA 0.185 4.528 4.340 0.007 0.000 0.277 514 L C -0.918 176.014 176.870 0.103 0.000 1.124 514 L CA 0.403 55.360 54.840 0.196 0.000 0.880 514 L CB -0.010 42.116 42.059 0.112 0.000 1.192 514 L HN 0.692 nan 8.230 nan 0.000 0.463 515 H N 3.765 122.753 119.070 -0.136 0.000 2.472 515 H HA 0.362 4.922 4.556 0.006 0.000 0.335 515 H C 1.039 176.181 175.328 -0.310 0.000 1.136 515 H CA -0.191 55.664 56.048 -0.321 0.000 1.264 515 H CB 0.957 30.410 29.762 -0.516 0.000 1.486 515 H HN 0.773 nan 8.280 nan 0.000 0.517 516 N N 1.463 119.927 118.700 -0.393 0.000 2.049 516 N HA -0.253 4.491 4.740 0.007 0.000 0.198 516 N C 1.534 177.076 175.510 0.054 0.000 1.030 516 N CA 2.314 55.282 53.050 -0.135 0.000 0.870 516 N CB -0.408 37.941 38.487 -0.230 0.000 1.045 516 N HN 0.777 nan 8.380 nan 0.000 0.434 517 T N -0.762 113.882 114.554 0.150 0.000 2.946 517 T HA -0.146 4.208 4.350 0.007 0.000 0.271 517 T C 1.386 176.123 174.700 0.061 0.000 1.104 517 T CA 1.048 63.168 62.100 0.032 0.000 1.114 517 T CB -0.486 68.259 68.868 -0.206 0.000 0.867 517 T HN 0.279 nan 8.240 nan 0.000 0.513 518 H N -0.328 118.728 119.070 -0.023 0.000 2.489 518 H HA 0.021 4.581 4.556 0.007 0.000 0.293 518 H C 0.990 176.285 175.328 -0.055 0.000 1.066 518 H CA 0.112 56.035 56.048 -0.208 0.000 1.305 518 H CB -0.775 28.832 29.762 -0.257 0.000 1.386 518 H HN 0.598 nan 8.280 nan 0.000 0.551 519 W N 2.659 123.971 121.300 0.020 0.000 2.676 519 W HA 0.018 4.682 4.660 0.007 0.000 0.359 519 W C 0.679 177.200 176.519 0.002 0.000 1.291 519 W CA 1.729 59.075 57.345 0.002 0.000 1.279 519 W CB -0.483 28.969 29.460 -0.013 0.000 1.336 519 W HN 0.509 nan 8.180 nan 0.000 0.584 520 G N 3.809 112.263 108.800 -0.577 0.000 2.176 520 G HA2 -0.345 3.619 3.960 0.007 0.000 0.253 520 G HA3 -0.345 3.619 3.960 0.007 0.000 0.253 520 G C 0.557 175.330 174.900 -0.212 0.000 0.979 520 G CA 0.482 45.271 45.100 -0.518 0.000 0.641 520 G HN 0.566 nan 8.290 nan 0.000 0.530 521 L N -0.863 120.290 121.223 -0.116 0.000 2.433 521 L HA 0.446 4.790 4.340 0.007 0.000 0.200 521 L C 1.078 177.887 176.870 -0.101 0.000 1.059 521 L CA 0.350 55.167 54.840 -0.038 0.000 0.835 521 L CB 0.236 42.380 42.059 0.142 0.000 1.076 521 L HN 0.097 nan 8.230 nan 0.000 0.481 522 V N -0.545 119.248 119.914 -0.201 0.000 2.667 522 V HA 0.218 4.342 4.120 0.007 0.000 0.308 522 V C -0.408 175.550 176.094 -0.227 0.000 1.048 522 V CA -1.191 60.945 62.300 -0.273 0.000 0.928 522 V CB 2.338 33.828 31.823 -0.554 0.000 1.004 522 V HN 0.256 nan 8.190 nan 0.000 0.444 523 C N 7.117 126.307 119.300 -0.183 0.000 2.585 523 C HA 0.339 4.803 4.460 0.007 0.000 0.406 523 C C -0.293 174.617 174.990 -0.135 0.000 1.312 523 C CA -1.004 57.930 59.018 -0.141 0.000 1.924 523 C CB 0.465 28.143 27.740 -0.103 0.000 2.578 523 C HN 0.845 nan 8.230 nan 0.000 0.580 524 P HA 0.058 nan 4.420 nan 0.000 0.236 524 P C 0.697 177.964 177.300 -0.055 0.000 1.177 524 P CA 1.399 64.462 63.100 -0.062 0.000 0.773 524 P CB 0.225 31.910 31.700 -0.025 0.000 0.878 525 A N -0.125 122.659 122.820 -0.060 0.000 2.013 525 A HA 0.088 4.412 4.320 0.007 0.000 0.204 525 A C 1.308 178.854 177.584 -0.064 0.000 1.262 525 A CA 0.012 52.014 52.037 -0.059 0.000 0.800 525 A CB -0.419 18.552 19.000 -0.048 0.000 0.909 525 A HN 0.071 nan 8.150 nan 0.000 0.472 526 E N 1.429 121.590 120.200 -0.064 0.000 1.932 526 E HA 0.337 4.691 4.350 0.007 0.000 0.275 526 E C -0.658 175.906 176.600 -0.060 0.000 1.159 526 E CA 0.020 56.387 56.400 -0.055 0.000 0.905 526 E CB 0.086 29.754 29.700 -0.053 0.000 1.059 526 E HN 0.320 nan 8.360 nan 0.000 0.400 527 T N 3.062 117.586 114.554 -0.049 0.000 2.843 527 T HA 0.520 4.874 4.350 0.007 0.000 0.302 527 T C -2.741 171.946 174.700 -0.022 0.000 1.232 527 T CA -1.814 60.260 62.100 -0.043 0.000 1.009 527 T CB 1.580 70.419 68.868 -0.049 0.000 1.254 527 T HN 0.142 nan 8.240 nan 0.000 0.504 528 P HA 0.437 nan 4.420 nan 0.000 0.276 528 P C -0.763 176.547 177.300 0.017 0.000 1.261 528 P CA -0.471 62.628 63.100 -0.001 0.000 0.800 528 P CB 0.454 32.145 31.700 -0.014 0.000 1.066 529 E N -0.266 119.958 120.200 0.039 0.000 2.254 529 E HA 0.527 4.881 4.350 0.007 0.000 0.261 529 E C 0.540 177.157 176.600 0.027 0.000 1.051 529 E CA -0.641 55.794 56.400 0.059 0.000 0.902 529 E CB 0.231 29.998 29.700 0.111 0.000 1.168 529 E HN 0.650 nan 8.360 nan 0.000 0.423 530 G N 0.651 109.468 108.800 0.028 0.000 2.641 530 G HA2 -0.427 3.537 3.960 0.007 0.000 0.254 530 G HA3 -0.427 3.537 3.960 0.007 0.000 0.254 530 G C 0.455 175.358 174.900 0.006 0.000 1.315 530 G CA 0.501 45.608 45.100 0.012 0.000 0.907 530 G HN 0.791 nan 8.290 nan 0.000 0.572 531 Q N -2.365 117.435 119.800 0.000 0.000 2.686 531 Q HA -0.399 3.945 4.340 0.007 0.000 0.458 531 Q C 2.319 178.319 176.000 -0.001 0.000 0.801 531 Q CA 3.599 59.401 55.803 -0.003 0.000 1.005 531 Q CB -1.631 27.102 28.738 -0.008 0.000 1.537 531 Q HN 2.274 nan 8.270 nan 0.000 1.090 532 A N -0.081 122.736 122.820 -0.004 0.000 2.327 532 A HA 0.245 4.569 4.320 0.007 0.000 0.228 532 A C 0.390 177.972 177.584 -0.004 0.000 1.275 532 A CA 0.033 52.067 52.037 -0.005 0.000 0.875 532 A CB -0.169 18.824 19.000 -0.012 0.000 0.925 532 A HN 0.524 nan 8.150 nan 0.000 0.493 533 C N 0.797 120.098 119.300 0.001 0.000 2.595 533 C HA 0.467 4.931 4.460 0.007 0.000 0.374 533 C C 1.735 176.725 174.990 0.000 0.000 1.250 533 C CA 1.097 60.116 59.018 0.001 0.000 1.595 533 C CB -1.857 25.889 27.740 0.010 0.000 2.257 533 C HN 1.271 nan 8.230 nan 0.000 0.568 534 G N 4.482 113.276 108.800 -0.009 0.000 2.201 534 G HA2 -0.202 3.762 3.960 0.007 0.000 0.212 534 G HA3 -0.202 3.762 3.960 0.007 0.000 0.212 534 G C 0.527 175.426 174.900 -0.003 0.000 0.994 534 G CA 0.391 45.486 45.100 -0.007 0.000 0.644 534 G HN 0.624 nan 8.290 nan 0.000 0.508 535 L N 0.248 121.470 121.223 -0.002 0.000 2.286 535 L HA 0.302 4.646 4.340 0.007 0.000 0.203 535 L C 1.138 178.005 176.870 -0.006 0.000 1.068 535 L CA 0.395 55.238 54.840 0.005 0.000 0.811 535 L CB 0.048 42.112 42.059 0.008 0.000 0.989 535 L HN 0.086 nan 8.230 nan 0.000 0.467 536 V N 1.735 121.639 119.914 -0.016 0.000 2.408 536 V HA 0.191 4.315 4.120 0.007 0.000 0.267 536 V C -0.054 176.014 176.094 -0.043 0.000 1.047 536 V CA -0.279 62.007 62.300 -0.023 0.000 0.937 536 V CB 0.725 32.535 31.823 -0.022 0.000 0.999 536 V HN 0.202 nan 8.190 nan 0.000 0.472 537 K N 3.601 123.970 120.400 -0.052 0.000 2.352 537 K HA 0.563 4.887 4.320 0.007 0.000 0.240 537 K C -0.766 175.792 176.600 -0.071 0.000 1.017 537 K CA -0.982 55.250 56.287 -0.092 0.000 0.851 537 K CB 1.806 34.211 32.500 -0.158 0.000 1.261 537 K HN 0.544 nan 8.250 nan 0.000 0.451 538 N N 1.343 119.991 118.700 -0.088 0.000 2.284 538 N HA 0.308 5.052 4.740 0.007 0.000 0.300 538 N C -0.767 174.698 175.510 -0.075 0.000 1.047 538 N CA -0.553 52.459 53.050 -0.063 0.000 0.821 538 N CB 1.507 39.961 38.487 -0.055 0.000 1.337 538 N HN 0.298 nan 8.380 nan 0.000 0.482 539 L N 1.735 122.928 121.223 -0.051 0.000 2.490 539 L HA 0.052 4.396 4.340 0.007 0.000 0.274 539 L C 1.345 178.178 176.870 -0.062 0.000 1.201 539 L CA -0.033 54.775 54.840 -0.053 0.000 0.869 539 L CB 0.200 42.236 42.059 -0.038 0.000 1.123 539 L HN 0.577 nan 8.230 nan 0.000 0.484 540 S N 2.856 118.505 115.700 -0.086 0.000 2.614 540 S HA 0.208 4.681 4.470 0.007 0.000 0.265 540 S C 1.257 175.824 174.600 -0.055 0.000 1.303 540 S CA -0.876 57.272 58.200 -0.087 0.000 1.000 540 S CB 1.177 64.293 63.200 -0.140 0.000 0.935 540 S HN 0.577 nan 8.310 nan 0.000 0.551 541 L N -0.075 121.136 121.223 -0.020 0.000 2.081 541 L HA -0.124 4.220 4.340 0.007 0.000 0.212 541 L C 2.242 179.158 176.870 0.077 0.000 1.080 541 L CA 1.706 56.599 54.840 0.089 0.000 0.754 541 L CB -0.376 41.784 42.059 0.167 0.000 0.893 541 L HN 0.750 nan 8.230 nan 0.000 0.433 542 M N -1.104 118.409 119.600 -0.145 0.000 2.383 542 M HA 0.062 4.546 4.480 0.007 0.000 0.247 542 M C 0.663 176.787 176.300 -0.294 0.000 1.117 542 M CA -0.147 54.908 55.300 -0.409 0.000 0.995 542 M CB 0.449 32.625 32.600 -0.707 0.000 1.480 542 M HN 0.156 nan 8.290 nan 0.000 0.485 543 S N -0.124 115.466 115.700 -0.184 0.000 2.562 543 S HA 0.551 5.025 4.470 0.007 0.000 0.275 543 S C -0.200 174.241 174.600 -0.264 0.000 1.281 543 S CA -0.897 57.170 58.200 -0.222 0.000 1.045 543 S CB 1.060 64.173 63.200 -0.145 0.000 0.962 543 S HN 0.376 nan 8.310 nan 0.000 0.503 544 C N 1.706 120.686 119.300 -0.533 0.000 3.154 544 C HA 0.757 5.221 4.460 0.007 0.000 0.312 544 C C -0.573 174.003 174.990 -0.691 0.000 1.349 544 C CA -1.075 57.598 59.018 -0.576 0.000 1.518 544 C CB 0.278 27.622 27.740 -0.659 0.000 1.934 544 C HN 0.873 nan 8.230 nan 0.000 0.462 545 I N 1.611 121.972 120.570 -0.347 0.000 2.474 545 I HA 0.440 4.614 4.170 0.007 0.000 0.294 545 I C 0.746 176.940 176.117 0.128 0.000 1.005 545 I CA 0.202 61.433 61.300 -0.115 0.000 1.113 545 I CB 1.862 39.829 38.000 -0.056 0.000 1.289 545 I HN 0.861 nan 8.210 nan 0.000 0.436 546 S N 4.055 119.941 115.700 0.310 0.000 2.576 546 S HA 0.225 4.699 4.470 0.007 0.000 0.272 546 S C 0.592 175.256 174.600 0.107 0.000 1.352 546 S CA -0.544 57.803 58.200 0.246 0.000 1.021 546 S CB 1.219 64.488 63.200 0.115 0.000 0.887 546 S HN 0.432 nan 8.310 nan 0.000 0.542 547 V N 1.550 121.506 119.914 0.068 0.000 3.307 547 V HA 0.490 4.614 4.120 0.007 0.000 0.244 547 V C 1.141 177.241 176.094 0.010 0.000 1.196 547 V CA 0.923 63.247 62.300 0.040 0.000 1.132 547 V CB -0.346 31.498 31.823 0.035 0.000 0.875 547 V HN 1.513 nan 8.190 nan 0.000 0.468 548 G N 0.613 109.407 108.800 -0.009 0.000 3.055 548 G HA2 0.072 4.036 3.960 0.007 0.000 0.685 548 G HA3 0.072 4.036 3.960 0.007 0.000 0.685 548 G C -0.501 174.355 174.900 -0.075 0.000 1.212 548 G CA -0.323 44.762 45.100 -0.026 0.000 0.822 548 G HN 0.287 nan 8.290 nan 0.000 0.610 549 T N 0.218 114.732 114.554 -0.066 0.000 2.907 549 T HA 0.671 5.025 4.350 0.007 0.000 0.290 549 T C -0.730 173.928 174.700 -0.070 0.000 1.066 549 T CA -0.623 61.422 62.100 -0.092 0.000 1.012 549 T CB 2.222 71.044 68.868 -0.077 0.000 1.184 549 T HN 0.774 nan 8.240 nan 0.000 0.522 550 D N 1.492 121.847 120.400 -0.075 0.000 2.277 550 D HA 0.320 4.964 4.640 0.007 0.000 0.249 550 D C -1.266 175.010 176.300 -0.040 0.000 1.134 550 D CA -2.337 51.634 54.000 -0.048 0.000 0.863 550 D CB 1.258 42.032 40.800 -0.044 0.000 1.143 550 D HN 0.103 nan 8.370 nan 0.000 0.458 551 P HA -0.066 nan 4.420 nan 0.000 0.227 551 P C 1.450 178.721 177.300 -0.049 0.000 1.161 551 P CA 0.603 63.678 63.100 -0.042 0.000 0.788 551 P CB -0.162 31.520 31.700 -0.032 0.000 0.822 552 M N 0.231 119.812 119.600 -0.031 0.000 2.337 552 M HA -0.005 4.479 4.480 0.007 0.000 0.261 552 M C -1.058 175.232 176.300 -0.017 0.000 1.067 552 M CA 2.188 57.473 55.300 -0.024 0.000 1.074 552 M CB -2.594 30.003 32.600 -0.005 0.000 1.395 552 M HN -0.047 nan 8.290 nan 0.000 0.431 553 P HA 0.027 nan 4.420 nan 0.000 0.222 553 P C 1.718 179.030 177.300 0.020 0.000 1.157 553 P CA 1.047 64.152 63.100 0.009 0.000 0.816 553 P CB -0.052 31.646 31.700 -0.002 0.000 0.813 554 I N 0.420 120.977 120.570 -0.023 0.000 2.113 554 I HA -0.196 3.978 4.170 0.007 0.000 0.238 554 I C 2.610 178.730 176.117 0.005 0.000 1.070 554 I CA 1.284 62.570 61.300 -0.023 0.000 1.332 554 I CB -1.218 36.737 38.000 -0.075 0.000 1.044 554 I HN -0.137 nan 8.210 nan 0.000 0.402 555 I N 1.242 121.754 120.570 -0.096 0.000 2.151 555 I HA -0.411 3.763 4.170 0.007 0.000 0.236 555 I C 2.656 178.743 176.117 -0.050 0.000 1.000 555 I CA 2.265 63.464 61.300 -0.168 0.000 1.285 555 I CB -2.003 35.864 38.000 -0.222 0.000 0.994 555 I HN 0.279 nan 8.210 nan 0.000 0.396 556 T N 1.013 115.562 114.554 -0.008 0.000 2.649 556 T HA -0.274 4.080 4.350 0.007 0.000 0.268 556 T C 1.671 176.412 174.700 0.069 0.000 1.036 556 T CA 2.199 64.316 62.100 0.028 0.000 1.157 556 T CB -0.588 68.303 68.868 0.040 0.000 0.861 556 T HN 0.382 nan 8.240 nan 0.000 0.445 557 F N 1.446 121.386 119.950 -0.017 0.000 2.051 557 F HA -0.063 4.468 4.527 0.007 0.000 0.296 557 F C 1.962 177.796 175.800 0.056 0.000 1.122 557 F CA 1.202 59.216 58.000 0.023 0.000 1.201 557 F CB -0.557 38.416 39.000 -0.044 0.000 0.978 557 F HN 0.063 nan 8.300 nan 0.000 0.472 558 L N 0.499 121.813 121.223 0.152 0.000 1.965 558 L HA -0.365 3.979 4.340 0.007 0.000 0.226 558 L C 2.680 179.489 176.870 -0.101 0.000 1.083 558 L CA 2.210 57.062 54.840 0.021 0.000 0.790 558 L CB -1.561 40.507 42.059 0.014 0.000 0.898 558 L HN 0.373 nan 8.230 nan 0.000 0.439 559 S N -1.058 114.592 115.700 -0.084 0.000 2.571 559 S HA -0.148 4.326 4.470 0.007 0.000 0.245 559 S C 0.966 175.500 174.600 -0.111 0.000 0.976 559 S CA 0.978 59.121 58.200 -0.095 0.000 0.954 559 S CB -0.505 62.658 63.200 -0.062 0.000 0.756 559 S HN 0.530 nan 8.310 nan 0.000 0.535 560 E N -0.723 119.395 120.200 -0.136 0.000 2.939 560 E HA 0.266 4.620 4.350 0.007 0.000 0.215 560 E C -1.230 175.228 176.600 -0.237 0.000 1.025 560 E CA -0.280 56.020 56.400 -0.166 0.000 1.259 560 E CB 0.242 29.863 29.700 -0.132 0.000 1.228 560 E HN 0.693 nan 8.360 nan 0.000 0.443 561 W N -0.025 121.059 121.300 -0.361 0.000 0.548 561 W HA 0.206 4.870 4.660 0.007 0.000 0.222 561 W C 0.563 176.930 176.519 -0.253 0.000 0.679 561 W CA 0.180 57.322 57.345 -0.340 0.000 1.068 561 W CB 0.555 29.667 29.460 -0.581 0.000 0.801 561 W HN 0.373 nan 8.180 nan 0.000 0.394 562 G N 1.364 110.089 108.800 -0.126 0.000 2.846 562 G HA2 -0.162 3.802 3.960 0.007 0.000 0.225 562 G HA3 -0.162 3.802 3.960 0.007 0.000 0.225 562 G C 0.309 175.011 174.900 -0.328 0.000 1.285 562 G CA 0.132 45.124 45.100 -0.181 0.000 1.055 562 G HN 0.963 nan 8.290 nan 0.000 0.579 563 M N 1.056 120.262 119.600 -0.656 0.000 3.528 563 M HA -0.102 4.382 4.480 0.007 0.000 0.163 563 M C -0.153 176.055 176.300 -0.154 0.000 1.428 563 M CA 1.684 56.776 55.300 -0.347 0.000 0.934 563 M CB -1.402 31.025 32.600 -0.288 0.000 1.298 563 M HN 0.663 nan 8.290 nan 0.000 0.541 564 E N 4.674 124.821 120.200 -0.089 0.000 2.384 564 E HA 0.267 4.621 4.350 0.007 0.000 0.266 564 E C -2.149 174.397 176.600 -0.091 0.000 1.012 564 E CA -1.333 55.032 56.400 -0.060 0.000 0.901 564 E CB 0.327 30.023 29.700 -0.008 0.000 0.967 564 E HN 0.412 nan 8.360 nan 0.000 0.435 565 P HA -0.083 nan 4.420 nan 0.000 0.269 565 P C 0.190 177.379 177.300 -0.186 0.000 1.215 565 P CA -0.191 62.843 63.100 -0.110 0.000 0.780 565 P CB 0.552 32.207 31.700 -0.075 0.000 0.898 566 L N 2.829 123.876 121.223 -0.292 0.000 2.217 566 L HA -0.120 4.224 4.340 0.007 0.000 0.211 566 L C 1.729 178.397 176.870 -0.336 0.000 1.107 566 L CA 1.625 56.149 54.840 -0.527 0.000 0.783 566 L CB -1.053 40.562 42.059 -0.741 0.000 0.919 566 L HN 0.331 nan 8.230 nan 0.000 0.442 567 E N -1.572 118.538 120.200 -0.148 0.000 2.472 567 E HA -0.161 4.193 4.350 0.007 0.000 0.200 567 E C 0.297 176.911 176.600 0.022 0.000 1.046 567 E CA 0.751 57.137 56.400 -0.023 0.000 0.871 567 E CB -0.259 29.411 29.700 -0.050 0.000 0.806 567 E HN 0.549 nan 8.360 nan 0.000 0.533 568 D N -0.232 120.159 120.400 -0.014 0.000 2.479 568 D HA 0.030 4.674 4.640 0.007 0.000 0.218 568 D C -0.636 175.701 176.300 0.062 0.000 1.177 568 D CA -0.309 53.705 54.000 0.024 0.000 0.830 568 D CB 0.039 40.837 40.800 -0.002 0.000 1.014 568 D HN 0.075 nan 8.370 nan 0.000 0.503 569 Y N 1.822 122.027 120.300 -0.158 0.000 2.309 569 Y HA 0.266 4.820 4.550 0.007 0.000 0.327 569 Y C 0.238 176.157 175.900 0.032 0.000 1.172 569 Y CA -0.759 57.219 58.100 -0.204 0.000 1.280 569 Y CB 0.867 38.943 38.460 -0.640 0.000 1.234 569 Y HN -0.222 nan 8.280 nan 0.000 0.512 570 V N 5.391 124.975 119.914 -0.550 0.000 2.546 570 V HA 0.273 4.397 4.120 0.007 0.000 0.260 570 V C -2.519 173.276 176.094 -0.499 0.000 0.933 570 V CA -1.396 60.700 62.300 -0.341 0.000 0.994 570 V CB 0.836 32.541 31.823 -0.198 0.000 1.160 570 V HN 0.595 nan 8.190 nan 0.000 0.523 571 P HA -0.224 nan 4.420 nan 0.000 0.216 571 P C 1.698 178.965 177.300 -0.054 0.000 1.150 571 P CA 2.255 65.155 63.100 -0.333 0.000 0.843 571 P CB -0.095 31.698 31.700 0.154 0.000 0.787 572 H N 0.681 119.738 119.070 -0.021 0.000 2.421 572 H HA -0.121 4.439 4.556 0.007 0.000 0.298 572 H C 1.256 176.591 175.328 0.012 0.000 1.087 572 H CA 1.416 57.474 56.048 0.018 0.000 1.330 572 H CB -0.525 29.250 29.762 0.021 0.000 1.388 572 H HN 0.300 nan 8.280 nan 0.000 0.526 573 Q N 0.999 120.518 119.800 -0.468 0.000 2.189 573 Q HA 0.250 4.594 4.340 0.007 0.000 0.221 573 Q C -0.510 175.404 176.000 -0.143 0.000 0.848 573 Q CA -0.154 55.451 55.803 -0.331 0.000 1.007 573 Q CB 0.733 29.187 28.738 -0.473 0.000 1.116 573 Q HN 0.308 nan 8.270 nan 0.000 0.481 574 S N 0.166 115.819 115.700 -0.078 0.000 2.730 574 S HA 0.219 4.693 4.470 0.007 0.000 0.150 574 S C -2.562 172.097 174.600 0.098 0.000 1.139 574 S CA -0.679 57.537 58.200 0.027 0.000 1.155 574 S CB 0.985 64.233 63.200 0.080 0.000 1.682 574 S HN 0.170 nan 8.310 nan 0.000 0.452 575 P HA 0.100 nan 4.420 nan 0.000 0.233 575 P C -0.387 176.991 177.300 0.131 0.000 1.167 575 P CA 0.960 64.134 63.100 0.124 0.000 0.770 575 P CB -0.298 31.462 31.700 0.101 0.000 0.837 576 D N -0.578 119.886 120.400 0.107 0.000 2.443 576 D HA 0.518 5.162 4.640 0.007 0.000 0.281 576 D C -0.833 175.512 176.300 0.075 0.000 1.210 576 D CA -0.927 53.121 54.000 0.080 0.000 0.875 576 D CB 0.327 41.162 40.800 0.058 0.000 1.125 576 D HN -0.033 nan 8.370 nan 0.000 0.503 577 A N 1.114 123.988 122.820 0.089 0.000 2.411 577 A HA 0.573 4.897 4.320 0.007 0.000 0.285 577 A C 0.130 177.735 177.584 0.036 0.000 1.129 577 A CA -0.761 51.325 52.037 0.082 0.000 0.736 577 A CB 1.061 20.152 19.000 0.153 0.000 1.186 577 A HN 0.173 nan 8.150 nan 0.000 0.445 578 T N 3.671 118.239 114.554 0.023 0.000 2.866 578 T HA 0.140 4.493 4.350 0.007 0.000 0.293 578 T C 0.778 175.475 174.700 -0.006 0.000 1.005 578 T CA 0.636 62.739 62.100 0.006 0.000 1.162 578 T CB -0.248 68.630 68.868 0.016 0.000 0.968 578 T HN 0.692 nan 8.240 nan 0.000 0.530 579 R N 2.132 122.583 120.500 -0.082 0.000 2.459 579 R HA 0.619 4.962 4.340 0.007 0.000 0.281 579 R C -1.118 175.163 176.300 -0.032 0.000 1.050 579 R CA -0.871 55.133 56.100 -0.161 0.000 1.055 579 R CB 0.642 30.572 30.300 -0.617 0.000 1.045 579 R HN 0.276 nan 8.270 nan 0.000 0.495 580 V N 3.293 123.215 119.914 0.012 0.000 2.448 580 V HA 0.439 4.563 4.120 0.007 0.000 0.295 580 V C -0.880 175.288 176.094 0.124 0.000 1.025 580 V CA -0.649 61.726 62.300 0.126 0.000 0.859 580 V CB 0.936 32.821 31.823 0.103 0.000 0.988 580 V HN 0.546 nan 8.190 nan 0.000 0.431 581 F N 3.044 122.955 119.950 -0.065 0.000 2.522 581 F HA 0.759 5.290 4.527 0.007 0.000 0.324 581 F C -0.034 175.716 175.800 -0.084 0.000 1.077 581 F CA -1.030 56.946 58.000 -0.040 0.000 0.944 581 F CB 2.231 41.128 39.000 -0.171 0.000 1.175 581 F HN 0.158 nan 8.300 nan 0.000 0.468 582 V N 3.040 123.065 119.914 0.184 0.000 2.525 582 V HA 0.281 4.405 4.120 0.007 0.000 0.299 582 V C -0.410 175.669 176.094 -0.024 0.000 1.034 582 V CA -1.119 61.176 62.300 -0.008 0.000 0.863 582 V CB 1.567 33.370 31.823 -0.033 0.000 0.999 582 V HN 0.825 nan 8.190 nan 0.000 0.423 583 N N 4.027 122.568 118.700 -0.266 0.000 2.678 583 N HA -0.241 4.503 4.740 0.007 0.000 0.250 583 N C 1.145 176.704 175.510 0.082 0.000 1.136 583 N CA 2.077 55.080 53.050 -0.079 0.000 0.757 583 N CB -1.101 37.433 38.487 0.078 0.000 1.135 583 N HN 1.528 nan 8.380 nan 0.000 0.565 584 G N -3.146 105.703 108.800 0.083 0.000 2.213 584 G HA2 -0.269 3.695 3.960 0.007 0.000 0.226 584 G HA3 -0.269 3.695 3.960 0.007 0.000 0.226 584 G C -0.068 175.067 174.900 0.393 0.000 0.992 584 G CA 0.054 45.342 45.100 0.314 0.000 0.632 584 G HN 0.443 nan 8.290 nan 0.000 0.511 585 V N 1.326 121.368 119.914 0.213 0.000 2.530 585 V HA 0.494 4.618 4.120 0.007 0.000 0.282 585 V C 0.387 176.434 176.094 -0.078 0.000 1.048 585 V CA -0.314 61.954 62.300 -0.053 0.000 0.997 585 V CB 1.233 32.922 31.823 -0.223 0.000 0.987 585 V HN 0.355 nan 8.190 nan 0.000 0.477 586 W N 5.864 126.898 121.300 -0.444 0.000 2.342 586 W HA 0.390 5.054 4.660 0.007 0.000 0.310 586 W C 0.817 177.015 176.519 -0.534 0.000 1.128 586 W CA -0.926 55.988 57.345 -0.719 0.000 1.322 586 W CB 0.039 29.000 29.460 -0.832 0.000 1.251 586 W HN 0.696 nan 8.180 nan 0.000 0.439 587 H N 3.812 122.855 119.070 -0.045 0.000 2.563 587 H HA 0.257 4.817 4.556 0.006 0.000 0.264 587 H C 1.145 176.344 175.328 -0.216 0.000 0.957 587 H CA 1.268 57.237 56.048 -0.133 0.000 1.173 587 H CB 0.649 30.369 29.762 -0.071 0.000 1.420 587 H HN 0.595 nan 8.280 nan 0.000 0.551 588 G N 0.255 108.985 108.800 -0.116 0.000 2.320 588 G HA2 0.101 4.065 3.960 0.007 0.000 0.274 588 G HA3 0.101 4.065 3.960 0.007 0.000 0.274 588 G C -1.109 173.791 174.900 0.001 0.000 1.324 588 G CA -0.305 44.643 45.100 -0.254 0.000 0.957 588 G HN 0.281 nan 8.290 nan 0.000 0.481 589 V N -3.042 116.796 119.914 -0.127 0.000 3.113 589 V HA 0.983 5.107 4.120 0.007 0.000 0.316 589 V C -0.606 175.527 176.094 0.065 0.000 1.125 589 V CA -0.803 61.457 62.300 -0.067 0.000 1.026 589 V CB 2.036 33.695 31.823 -0.273 0.000 1.080 589 V HN 1.627 nan 8.190 nan 0.000 0.444 590 H N 1.567 120.632 119.070 -0.007 0.000 2.954 590 H HA 0.641 5.201 4.556 0.007 0.000 0.361 590 H C -0.838 174.511 175.328 0.035 0.000 1.122 590 H CA -0.774 55.288 56.048 0.024 0.000 1.217 590 H CB 2.018 31.803 29.762 0.038 0.000 1.776 590 H HN 0.979 nan 8.280 nan 0.000 0.533 591 R N 3.409 123.972 120.500 0.105 0.000 2.320 591 R HA 0.490 4.834 4.340 0.007 0.000 0.319 591 R C -0.866 175.312 176.300 -0.205 0.000 0.969 591 R CA -0.818 55.256 56.100 -0.043 0.000 0.857 591 R CB 0.268 30.595 30.300 0.044 0.000 1.160 591 R HN 0.574 nan 8.270 nan 0.000 0.491 592 N N 2.387 120.938 118.700 -0.248 0.000 4.201 592 N HA -0.058 4.686 4.740 0.007 0.000 0.271 592 N C -2.398 172.876 175.510 -0.393 0.000 0.989 592 N CA -0.133 52.768 53.050 -0.249 0.000 0.671 592 N CB -0.268 38.127 38.487 -0.154 0.000 1.424 592 N HN 0.503 nan 8.380 nan 0.000 0.632 593 P HA 0.148 nan 4.420 nan 0.000 0.227 593 P C 1.301 178.567 177.300 -0.057 0.000 1.161 593 P CA 1.183 64.194 63.100 -0.148 0.000 0.788 593 P CB 0.108 31.776 31.700 -0.054 0.000 0.822 594 A N 0.496 123.285 122.820 -0.051 0.000 1.908 594 A HA -0.222 4.102 4.320 0.007 0.000 0.218 594 A C 2.451 180.040 177.584 0.009 0.000 1.181 594 A CA 1.712 53.741 52.037 -0.013 0.000 0.627 594 A CB -1.072 17.922 19.000 -0.011 0.000 0.818 594 A HN 0.062 nan 8.150 nan 0.000 0.445 595 R N -1.186 119.330 120.500 0.027 0.000 2.090 595 R HA 0.044 4.388 4.340 0.007 0.000 0.219 595 R C 2.132 178.489 176.300 0.094 0.000 1.100 595 R CA 0.977 57.125 56.100 0.080 0.000 0.991 595 R CB -0.359 30.024 30.300 0.139 0.000 0.893 595 R HN 0.449 nan 8.270 nan 0.000 0.443 596 L N 1.104 122.410 121.223 0.137 0.000 1.978 596 L HA -0.254 4.090 4.340 0.007 0.000 0.218 596 L C 2.333 179.217 176.870 0.023 0.000 1.075 596 L CA 2.101 57.025 54.840 0.141 0.000 0.767 596 L CB -0.511 41.742 42.059 0.324 0.000 0.890 596 L HN 0.219 nan 8.230 nan 0.000 0.434 597 M N -0.075 119.544 119.600 0.031 0.000 2.144 597 M HA -0.249 4.235 4.480 0.007 0.000 0.260 597 M C 2.178 178.460 176.300 -0.029 0.000 1.067 597 M CA 2.316 57.617 55.300 0.001 0.000 1.095 597 M CB -0.559 32.047 32.600 0.010 0.000 1.365 597 M HN 0.620 nan 8.290 nan 0.000 0.406 598 E N -1.984 118.201 120.200 -0.024 0.000 2.152 598 E HA -0.133 4.221 4.350 0.007 0.000 0.192 598 E C 1.574 178.128 176.600 -0.077 0.000 0.983 598 E CA 1.710 58.089 56.400 -0.035 0.000 0.818 598 E CB -0.351 29.343 29.700 -0.009 0.000 0.758 598 E HN 0.457 nan 8.360 nan 0.000 0.467 599 T N 1.141 115.622 114.554 -0.122 0.000 2.737 599 T HA -0.058 4.296 4.350 0.007 0.000 0.265 599 T C 1.783 176.312 174.700 -0.285 0.000 1.038 599 T CA 1.215 63.173 62.100 -0.236 0.000 1.144 599 T CB -0.238 68.326 68.868 -0.507 0.000 0.866 599 T HN 0.115 nan 8.240 nan 0.000 0.434 600 L N 0.500 121.565 121.223 -0.264 0.000 1.971 600 L HA -0.174 4.169 4.340 0.007 0.000 0.215 600 L C 2.931 179.678 176.870 -0.204 0.000 1.072 600 L CA 1.624 56.299 54.840 -0.276 0.000 0.758 600 L CB -0.458 41.499 42.059 -0.170 0.000 0.889 600 L HN 0.141 nan 8.230 nan 0.000 0.433 601 R N -0.870 119.553 120.500 -0.130 0.000 2.139 601 R HA -0.172 4.172 4.340 0.007 0.000 0.243 601 R C 2.193 178.428 176.300 -0.107 0.000 1.145 601 R CA 1.927 57.970 56.100 -0.095 0.000 0.976 601 R CB -0.368 29.899 30.300 -0.055 0.000 0.866 601 R HN 0.422 nan 8.270 nan 0.000 0.449 602 T N 1.068 115.548 114.554 -0.122 0.000 2.857 602 T HA -0.038 4.316 4.350 0.007 0.000 0.266 602 T C 1.779 176.400 174.700 -0.131 0.000 1.048 602 T CA 0.854 62.888 62.100 -0.110 0.000 1.139 602 T CB -0.012 68.802 68.868 -0.090 0.000 0.874 602 T HN 0.161 nan 8.240 nan 0.000 0.455 603 L N 0.470 121.581 121.223 -0.186 0.000 2.093 603 L HA 0.016 4.360 4.340 0.007 0.000 0.208 603 L C 2.903 179.672 176.870 -0.169 0.000 1.085 603 L CA 1.080 55.798 54.840 -0.203 0.000 0.755 603 L CB -0.519 41.345 42.059 -0.325 0.000 0.904 603 L HN 0.081 nan 8.230 nan 0.000 0.435 604 R N 0.933 121.334 120.500 -0.164 0.000 2.115 604 R HA -0.076 4.268 4.340 0.007 0.000 0.226 604 R C 1.877 178.103 176.300 -0.124 0.000 1.100 604 R CA 0.996 57.015 56.100 -0.135 0.000 0.980 604 R CB 0.036 30.264 30.300 -0.120 0.000 0.875 604 R HN 0.282 nan 8.270 nan 0.000 0.445 605 R N -0.086 120.343 120.500 -0.119 0.000 2.325 605 R HA 0.037 4.380 4.340 0.007 0.000 0.214 605 R C 1.423 177.652 176.300 -0.118 0.000 0.961 605 R CA 0.412 56.441 56.100 -0.119 0.000 1.086 605 R CB 0.268 30.508 30.300 -0.100 0.000 1.037 605 R HN 0.035 nan 8.270 nan 0.000 0.493 606 K N -1.720 118.612 120.400 -0.112 0.000 2.589 606 K HA 0.061 4.385 4.320 0.007 0.000 0.218 606 K C 0.619 177.164 176.600 -0.092 0.000 1.468 606 K CA 0.780 57.010 56.287 -0.095 0.000 1.002 606 K CB 1.146 33.598 32.500 -0.081 0.000 1.200 606 K HN 0.175 nan 8.250 nan 0.000 0.614 607 G N 1.508 110.247 108.800 -0.101 0.000 2.213 607 G HA2 -0.225 3.739 3.960 0.007 0.000 0.236 607 G HA3 -0.225 3.739 3.960 0.007 0.000 0.236 607 G C 0.491 175.340 174.900 -0.086 0.000 0.991 607 G CA 0.457 45.504 45.100 -0.087 0.000 0.629 607 G HN 0.370 nan 8.290 nan 0.000 0.517 608 D N 0.193 120.534 120.400 -0.098 0.000 2.263 608 D HA 0.050 4.694 4.640 0.007 0.000 0.208 608 D C 1.213 177.429 176.300 -0.140 0.000 0.971 608 D CA 0.869 54.805 54.000 -0.107 0.000 0.867 608 D CB 0.318 41.050 40.800 -0.115 0.000 0.929 608 D HN 0.500 nan 8.370 nan 0.000 0.492 609 I N 0.907 121.382 120.570 -0.157 0.000 2.474 609 I HA 0.064 4.238 4.170 0.007 0.000 0.294 609 I C 0.124 176.171 176.117 -0.115 0.000 1.005 609 I CA -0.955 60.249 61.300 -0.160 0.000 1.113 609 I CB 2.009 39.887 38.000 -0.202 0.000 1.289 609 I HN -0.261 nan 8.210 nan 0.000 0.436 610 N N 8.039 126.683 118.700 -0.093 0.000 2.475 610 N HA 0.120 4.863 4.740 0.007 0.000 0.267 610 N C -1.937 173.538 175.510 -0.059 0.000 1.169 610 N CA -1.533 51.477 53.050 -0.066 0.000 0.947 610 N CB 1.178 39.630 38.487 -0.059 0.000 1.061 610 N HN 0.229 nan 8.380 nan 0.000 0.466 611 P HA -0.178 nan 4.420 nan 0.000 0.219 611 P C 0.575 177.885 177.300 0.017 0.000 1.144 611 P CA 1.169 64.257 63.100 -0.020 0.000 0.806 611 P CB 0.246 31.948 31.700 0.003 0.000 0.771 612 E N -0.528 119.645 120.200 -0.044 0.000 2.478 612 E HA 0.004 4.358 4.350 0.007 0.000 0.194 612 E C 0.023 176.493 176.600 -0.217 0.000 1.045 612 E CA 0.051 56.303 56.400 -0.246 0.000 0.868 612 E CB 0.216 29.820 29.700 -0.160 0.000 0.885 612 E HN 0.011 nan 8.360 nan 0.000 0.505 613 V N 1.803 121.652 119.914 -0.109 0.000 2.614 613 V HA 0.049 4.172 4.120 0.007 0.000 0.291 613 V C 0.226 176.297 176.094 -0.038 0.000 1.049 613 V CA -0.002 62.262 62.300 -0.061 0.000 1.038 613 V CB 1.396 33.183 31.823 -0.059 0.000 0.980 613 V HN 0.231 nan 8.190 nan 0.000 0.481 614 S N 6.339 122.052 115.700 0.021 0.000 2.500 614 S HA 0.857 5.331 4.470 0.007 0.000 0.301 614 S C -0.967 173.681 174.600 0.079 0.000 1.092 614 S CA -0.885 57.343 58.200 0.046 0.000 1.030 614 S CB 1.621 64.859 63.200 0.063 0.000 1.031 614 S HN 0.576 nan 8.310 nan 0.000 0.483 615 M N 3.072 122.702 119.600 0.051 0.000 2.267 615 M HA 0.486 4.969 4.480 0.007 0.000 0.289 615 M C -1.850 174.474 176.300 0.040 0.000 1.043 615 M CA -0.509 54.810 55.300 0.033 0.000 0.928 615 M CB 1.804 34.401 32.600 -0.004 0.000 1.613 615 M HN 0.524 nan 8.290 nan 0.000 0.450 616 I N 2.688 123.283 120.570 0.041 0.000 2.493 616 I HA 0.374 4.548 4.170 0.007 0.000 0.279 616 I C -0.238 175.888 176.117 0.015 0.000 1.045 616 I CA -0.317 61.005 61.300 0.036 0.000 1.106 616 I CB 1.549 39.577 38.000 0.047 0.000 1.216 616 I HN 0.651 nan 8.210 nan 0.000 0.459 617 R N 3.947 124.456 120.500 0.016 0.000 2.267 617 R HA 0.309 4.652 4.340 0.007 0.000 0.319 617 R C -0.560 175.742 176.300 0.004 0.000 1.067 617 R CA -0.115 55.990 56.100 0.008 0.000 0.936 617 R CB 0.662 30.970 30.300 0.013 0.000 1.006 617 R HN 0.475 nan 8.270 nan 0.000 0.452 618 D N 6.740 127.135 120.400 -0.009 0.000 2.493 618 D HA 0.100 4.744 4.640 0.007 0.000 0.235 618 D C 1.387 177.682 176.300 -0.009 0.000 1.117 618 D CA -0.482 53.511 54.000 -0.012 0.000 0.930 618 D CB 0.530 41.312 40.800 -0.030 0.000 1.010 618 D HN 0.589 nan 8.370 nan 0.000 0.514 619 I N 2.083 122.653 120.570 -0.001 0.000 2.113 619 I HA -0.314 3.860 4.170 0.007 0.000 0.242 619 I C 2.112 178.229 176.117 -0.000 0.000 1.064 619 I CA 1.144 62.444 61.300 0.000 0.000 1.320 619 I CB -0.395 37.607 38.000 0.004 0.000 1.028 619 I HN 0.294 nan 8.210 nan 0.000 0.406 620 R N 0.352 120.851 120.500 -0.000 0.000 2.115 620 R HA -0.137 4.207 4.340 0.007 0.000 0.226 620 R C 2.113 178.413 176.300 -0.001 0.000 1.100 620 R CA 0.801 56.901 56.100 0.001 0.000 0.980 620 R CB -0.155 30.146 30.300 0.001 0.000 0.875 620 R HN 0.192 nan 8.270 nan 0.000 0.445 621 E N 0.842 121.037 120.200 -0.009 0.000 2.481 621 E HA -0.006 4.348 4.350 0.007 0.000 0.195 621 E C -0.509 176.082 176.600 -0.015 0.000 1.047 621 E CA 0.260 56.651 56.400 -0.015 0.000 0.867 621 E CB 0.067 29.749 29.700 -0.030 0.000 0.858 621 E HN -0.009 nan 8.360 nan 0.000 0.513 622 K N 1.080 121.473 120.400 -0.012 0.000 3.689 622 K HA -0.232 4.092 4.320 0.007 0.000 0.276 622 K C -0.934 175.648 176.600 -0.030 0.000 0.932 622 K CA 0.825 57.105 56.287 -0.012 0.000 0.758 622 K CB -1.131 31.370 32.500 0.002 0.000 1.500 622 K HN 0.263 nan 8.250 nan 0.000 0.448 623 E N 0.431 120.607 120.200 -0.039 0.000 2.343 623 E HA 0.398 4.752 4.350 0.007 0.000 0.278 623 E C -1.528 175.049 176.600 -0.040 0.000 0.910 623 E CA -1.046 55.319 56.400 -0.059 0.000 0.757 623 E CB 1.716 31.331 29.700 -0.142 0.000 1.218 623 E HN 0.114 nan 8.360 nan 0.000 0.435 624 L N 2.369 123.592 121.223 -0.000 0.000 2.372 624 L HA 0.489 4.833 4.340 0.007 0.000 0.274 624 L C -1.572 175.305 176.870 0.011 0.000 0.988 624 L CA -0.509 54.336 54.840 0.008 0.000 0.833 624 L CB 0.945 43.030 42.059 0.043 0.000 1.236 624 L HN 0.379 nan 8.230 nan 0.000 0.410 625 K N 6.291 126.659 120.400 -0.053 0.000 2.207 625 K HA 0.740 5.064 4.320 0.007 0.000 0.255 625 K C -1.089 175.447 176.600 -0.107 0.000 0.941 625 K CA -0.512 55.706 56.287 -0.115 0.000 0.825 625 K CB 2.353 34.731 32.500 -0.203 0.000 1.119 625 K HN 0.576 nan 8.250 nan 0.000 0.430 626 I N 2.618 123.063 120.570 -0.208 0.000 2.498 626 I HA 0.396 4.570 4.170 0.007 0.000 0.290 626 I C -1.095 174.839 176.117 -0.305 0.000 1.032 626 I CA -0.797 60.414 61.300 -0.148 0.000 1.073 626 I CB 1.236 39.181 38.000 -0.092 0.000 1.251 626 I HN 0.436 nan 8.210 nan 0.000 0.426 627 F N 3.315 123.261 119.950 -0.007 0.000 2.507 627 F HA 0.335 4.866 4.527 0.007 0.000 0.328 627 F C 1.012 176.798 175.800 -0.024 0.000 1.136 627 F CA -0.290 57.706 58.000 -0.006 0.000 0.930 627 F CB 2.240 41.231 39.000 -0.015 0.000 1.166 627 F HN 0.382 nan 8.300 nan 0.000 0.436 628 T N -0.098 114.549 114.554 0.155 0.000 3.023 628 T HA -0.017 4.337 4.350 0.007 0.000 0.249 628 T C -0.184 174.560 174.700 0.073 0.000 1.050 628 T CA -0.039 62.103 62.100 0.070 0.000 1.088 628 T CB -0.217 68.661 68.868 0.017 0.000 0.946 628 T HN 0.489 nan 8.240 nan 0.000 0.480 629 D N 2.260 122.735 120.400 0.125 0.000 4.662 629 D HA -0.106 4.538 4.640 0.007 0.000 0.116 629 D C 0.087 176.418 176.300 0.051 0.000 0.953 629 D CA 0.466 54.530 54.000 0.106 0.000 0.570 629 D CB 0.194 41.086 40.800 0.153 0.000 1.127 629 D HN 0.435 nan 8.370 nan 0.000 0.595 630 A N 2.401 125.243 122.820 0.036 0.000 2.351 630 A HA 0.587 4.911 4.320 0.007 0.000 0.257 630 A C 1.543 179.135 177.584 0.013 0.000 1.087 630 A CA 0.539 52.593 52.037 0.028 0.000 0.798 630 A CB 0.762 19.781 19.000 0.031 0.000 1.033 630 A HN 1.324 nan 8.150 nan 0.000 0.488 631 G N 0.577 109.386 108.800 0.014 0.000 2.179 631 G HA2 -0.186 3.778 3.960 0.007 0.000 0.220 631 G HA3 -0.186 3.778 3.960 0.007 0.000 0.220 631 G C 0.260 175.132 174.900 -0.047 0.000 0.990 631 G CA 0.200 45.291 45.100 -0.015 0.000 0.646 631 G HN 0.866 nan 8.290 nan 0.000 0.517 632 R N 0.386 120.877 120.500 -0.015 0.000 2.308 632 R HA 0.500 4.844 4.340 0.007 0.000 0.305 632 R C 0.464 176.799 176.300 0.059 0.000 1.053 632 R CA -0.317 55.762 56.100 -0.035 0.000 0.957 632 R CB 1.521 31.810 30.300 -0.017 0.000 1.022 632 R HN 0.164 nan 8.270 nan 0.000 0.461 633 V N 4.207 124.109 119.914 -0.020 0.000 2.546 633 V HA 0.352 4.476 4.120 0.007 0.000 0.284 633 V C -0.305 175.874 176.094 0.141 0.000 1.050 633 V CA -0.597 61.715 62.300 0.020 0.000 0.981 633 V CB 0.014 31.869 31.823 0.052 0.000 0.990 633 V HN 0.757 nan 8.190 nan 0.000 0.474 634 Y N 2.407 122.700 120.300 -0.013 0.000 2.715 634 Y HA 0.956 5.510 4.550 0.007 0.000 0.331 634 Y C -0.490 175.397 175.900 -0.021 0.000 1.197 634 Y CA -1.647 56.452 58.100 -0.001 0.000 1.079 634 Y CB 1.795 40.247 38.460 -0.014 0.000 1.298 634 Y HN 0.762 nan 8.280 nan 0.000 0.477 635 R N 0.096 120.708 120.500 0.187 0.000 2.633 635 R HA 0.445 4.789 4.340 0.007 0.000 0.255 635 R C -3.466 172.948 176.300 0.189 0.000 1.106 635 R CA -1.171 54.959 56.100 0.050 0.000 0.959 635 R CB 1.462 31.725 30.300 -0.062 0.000 1.259 635 R HN 0.631 nan 8.270 nan 0.000 0.453 636 P HA -0.314 nan 4.420 nan 0.000 0.299 636 P C -0.617 176.790 177.300 0.178 0.000 1.969 636 P CA 1.266 64.470 63.100 0.173 0.000 1.765 636 P CB -0.166 31.479 31.700 -0.091 0.000 0.238 637 L N -4.285 116.976 121.223 0.064 0.000 2.225 637 L HA 0.602 4.946 4.340 0.007 0.000 0.257 637 L C 0.319 177.202 176.870 0.022 0.000 1.101 637 L CA -0.681 54.140 54.840 -0.033 0.000 1.073 637 L CB -0.084 41.990 42.059 0.025 0.000 1.627 637 L HN 0.085 nan 8.230 nan 0.000 0.518 638 F N 0.577 120.567 119.950 0.067 0.000 2.396 638 F HA 0.473 5.004 4.527 0.007 0.000 0.343 638 F C 0.247 176.057 175.800 0.015 0.000 1.104 638 F CA -0.249 57.758 58.000 0.011 0.000 1.161 638 F CB 1.027 40.018 39.000 -0.015 0.000 1.146 638 F HN 0.170 nan 8.300 nan 0.000 0.522 639 I N 3.337 124.007 120.570 0.167 0.000 2.532 639 I HA 0.220 4.394 4.170 0.007 0.000 0.292 639 I C -0.573 175.502 176.117 -0.071 0.000 1.014 639 I CA -0.344 60.932 61.300 -0.040 0.000 1.340 639 I CB 1.372 39.324 38.000 -0.081 0.000 1.422 639 I HN 0.177 nan 8.210 nan 0.000 0.528 640 V N 5.524 125.346 119.914 -0.153 0.000 2.380 640 V HA 0.272 4.395 4.120 0.007 0.000 0.272 640 V C -0.268 175.775 176.094 -0.085 0.000 1.011 640 V CA -0.507 61.741 62.300 -0.087 0.000 0.826 640 V CB 1.115 32.922 31.823 -0.028 0.000 1.040 640 V HN 0.644 nan 8.190 nan 0.000 0.441 641 E N 2.250 122.402 120.200 -0.079 0.000 2.283 641 E HA 0.338 4.692 4.350 0.007 0.000 0.267 641 E C 0.540 177.107 176.600 -0.055 0.000 1.045 641 E CA -0.424 55.936 56.400 -0.065 0.000 0.884 641 E CB 1.206 30.868 29.700 -0.063 0.000 1.106 641 E HN 0.702 nan 8.360 nan 0.000 0.408 642 D N 0.746 121.120 120.400 -0.043 0.000 2.325 642 D HA -0.068 4.575 4.640 0.007 0.000 0.234 642 D C 0.188 176.453 176.300 -0.058 0.000 1.122 642 D CA 0.217 54.187 54.000 -0.051 0.000 0.850 642 D CB -0.326 40.460 40.800 -0.023 0.000 0.921 642 D HN 0.522 nan 8.370 nan 0.000 0.513 643 D N -0.357 120.011 120.400 -0.054 0.000 2.347 643 D HA -0.261 4.382 4.640 0.007 0.000 0.208 643 D C 0.388 176.661 176.300 -0.046 0.000 0.994 643 D CA 0.765 54.740 54.000 -0.042 0.000 0.924 643 D CB -0.558 40.221 40.800 -0.035 0.000 0.892 643 D HN 0.085 nan 8.370 nan 0.000 0.471 644 E N 0.706 120.860 120.200 -0.077 0.000 1.909 644 E HA 0.016 4.370 4.350 0.007 0.000 0.253 644 E C 1.028 177.608 176.600 -0.033 0.000 1.268 644 E CA -0.037 56.317 56.400 -0.077 0.000 0.999 644 E CB 0.031 29.637 29.700 -0.157 0.000 1.072 644 E HN 0.213 nan 8.360 nan 0.000 0.428 645 S N 2.544 118.234 115.700 -0.017 0.000 2.073 645 S HA -0.308 4.166 4.470 0.007 0.000 0.526 645 S C 0.811 175.418 174.600 0.012 0.000 0.931 645 S CA 1.715 59.914 58.200 -0.003 0.000 3.292 645 S CB -0.484 62.713 63.200 -0.005 0.000 2.301 645 S HN 0.603 nan 8.310 nan 0.000 0.562 646 L N 1.966 123.201 121.223 0.020 0.000 2.397 646 L HA 0.519 4.863 4.340 0.007 0.000 0.263 646 L C 0.563 177.494 176.870 0.103 0.000 1.136 646 L CA 0.188 55.057 54.840 0.048 0.000 1.019 646 L CB -0.054 42.030 42.059 0.042 0.000 1.352 646 L HN 0.784 nan 8.230 nan 0.000 0.420 647 G N 1.943 110.815 108.800 0.119 0.000 2.785 647 G HA2 -0.064 3.900 3.960 0.007 0.000 0.686 647 G HA3 -0.064 3.900 3.960 0.007 0.000 0.686 647 G C -0.053 175.054 174.900 0.346 0.000 1.155 647 G CA -0.483 44.786 45.100 0.283 0.000 0.760 647 G HN 1.077 nan 8.290 nan 0.000 0.624 648 H N -0.818 118.255 119.070 0.005 0.000 1.452 648 H HA -0.196 4.364 4.556 0.007 0.000 0.090 648 H C 0.233 175.571 175.328 0.016 0.000 2.619 648 H CA 1.337 57.390 56.048 0.010 0.000 1.901 648 H CB -0.976 28.797 29.762 0.019 0.000 2.257 648 H HN 0.962 nan 8.280 nan 0.000 0.961 649 K N 0.995 121.381 120.400 -0.023 0.000 2.110 649 K HA 0.522 4.846 4.320 0.007 0.000 0.263 649 K C -0.161 176.305 176.600 -0.223 0.000 0.975 649 K CA -0.294 55.944 56.287 -0.080 0.000 0.895 649 K CB 1.197 33.738 32.500 0.068 0.000 1.060 649 K HN 0.529 nan 8.250 nan 0.000 0.448 650 E N 1.509 121.609 120.200 -0.166 0.000 2.366 650 E HA 0.268 4.622 4.350 0.007 0.000 0.278 650 E C -1.341 175.201 176.600 -0.097 0.000 0.923 650 E CA -0.655 55.655 56.400 -0.149 0.000 0.761 650 E CB 1.007 30.586 29.700 -0.200 0.000 1.231 650 E HN 0.314 nan 8.360 nan 0.000 0.443 651 L N 4.239 125.399 121.223 -0.106 0.000 2.540 651 L HA 0.040 4.384 4.340 0.007 0.000 0.276 651 L C 1.324 178.129 176.870 -0.109 0.000 1.212 651 L CA 0.719 55.474 54.840 -0.142 0.000 0.893 651 L CB 0.495 42.402 42.059 -0.254 0.000 1.138 651 L HN 0.768 nan 8.230 nan 0.000 0.491 652 K N 2.196 122.549 120.400 -0.079 0.000 2.097 652 K HA -0.064 4.260 4.320 0.007 0.000 0.206 652 K C 0.444 177.058 176.600 0.024 0.000 1.049 652 K CA 0.571 56.838 56.287 -0.032 0.000 0.933 652 K CB 0.055 32.535 32.500 -0.034 0.000 0.717 652 K HN 0.461 nan 8.250 nan 0.000 0.442 653 V N 3.014 122.919 119.914 -0.015 0.000 2.617 653 V HA -0.032 4.092 4.120 0.007 0.000 0.304 653 V C 0.666 176.817 176.094 0.094 0.000 1.040 653 V CA 0.206 62.556 62.300 0.082 0.000 1.149 653 V CB 0.324 32.107 31.823 -0.067 0.000 0.914 653 V HN 0.215 nan 8.190 nan 0.000 0.487 654 R N 3.139 123.773 120.500 0.222 0.000 3.029 654 R HA 0.503 4.847 4.340 0.007 0.000 0.239 654 R C 1.032 177.333 176.300 0.001 0.000 1.351 654 R CA -1.005 55.106 56.100 0.018 0.000 1.052 654 R CB 0.796 31.052 30.300 -0.074 0.000 1.354 654 R HN 0.513 nan 8.270 nan 0.000 0.499 655 K N 0.470 120.851 120.400 -0.032 0.000 2.097 655 K HA -0.051 4.273 4.320 0.007 0.000 0.205 655 K C 1.889 178.469 176.600 -0.034 0.000 1.050 655 K CA 1.585 57.866 56.287 -0.009 0.000 0.938 655 K CB -0.373 32.124 32.500 -0.004 0.000 0.718 655 K HN 0.753 nan 8.250 nan 0.000 0.442 656 G N 1.827 110.558 108.800 -0.114 0.000 2.574 656 G HA2 -0.305 3.659 3.960 0.007 0.000 0.220 656 G HA3 -0.305 3.659 3.960 0.007 0.000 0.220 656 G C 1.250 176.038 174.900 -0.187 0.000 1.173 656 G CA 1.224 46.213 45.100 -0.186 0.000 0.772 656 G HN 0.338 nan 8.290 nan 0.000 0.585 657 H N 0.025 119.065 119.070 -0.049 0.000 2.353 657 H HA -0.016 4.544 4.556 0.007 0.000 0.300 657 H C 2.768 178.124 175.328 0.046 0.000 1.090 657 H CA 1.142 57.168 56.048 -0.036 0.000 1.327 657 H CB -0.391 29.421 29.762 0.084 0.000 1.383 657 H HN 0.277 nan 8.280 nan 0.000 0.508 658 I N 1.165 121.849 120.570 0.190 0.000 2.208 658 I HA -0.231 3.943 4.170 0.007 0.000 0.245 658 I C 2.654 178.855 176.117 0.140 0.000 1.097 658 I CA 1.223 62.631 61.300 0.181 0.000 1.363 658 I CB -0.718 37.371 38.000 0.148 0.000 1.051 658 I HN 0.189 nan 8.210 nan 0.000 0.413 659 A N -0.218 122.645 122.820 0.071 0.000 1.858 659 A HA -0.255 4.069 4.320 0.007 0.000 0.216 659 A C 2.365 179.981 177.584 0.054 0.000 1.190 659 A CA 1.845 53.914 52.037 0.055 0.000 0.617 659 A CB -0.597 18.411 19.000 0.014 0.000 0.827 659 A HN 0.326 nan 8.150 nan 0.000 0.443 660 K N -0.432 119.947 120.400 -0.035 0.000 2.103 660 K HA -0.037 4.286 4.320 0.007 0.000 0.207 660 K C 1.833 178.504 176.600 0.118 0.000 1.048 660 K CA 1.217 57.456 56.287 -0.080 0.000 0.930 660 K CB -0.324 31.880 32.500 -0.492 0.000 0.716 660 K HN 0.445 nan 8.250 nan 0.000 0.444 661 L N 0.131 121.493 121.223 0.233 0.000 2.131 661 L HA -0.159 4.185 4.340 0.007 0.000 0.210 661 L C 2.170 179.199 176.870 0.264 0.000 1.092 661 L CA 1.219 56.278 54.840 0.365 0.000 0.759 661 L CB -0.086 42.195 42.059 0.370 0.000 0.903 661 L HN 0.371 nan 8.230 nan 0.000 0.435 662 M N -2.134 117.596 119.600 0.217 0.000 2.492 662 M HA 0.017 4.501 4.480 0.007 0.000 0.255 662 M C 2.241 178.684 176.300 0.239 0.000 1.139 662 M CA 0.546 55.976 55.300 0.217 0.000 1.096 662 M CB 0.056 32.770 32.600 0.191 0.000 1.360 662 M HN 0.216 nan 8.290 nan 0.000 0.480 663 A N 0.675 123.620 122.820 0.208 0.000 1.851 663 A HA -0.159 4.165 4.320 0.007 0.000 0.216 663 A C 2.104 179.765 177.584 0.129 0.000 1.195 663 A CA 2.411 54.569 52.037 0.203 0.000 0.622 663 A CB -1.232 17.845 19.000 0.127 0.000 0.831 663 A HN 0.391 nan 8.150 nan 0.000 0.444 664 T N -0.359 114.277 114.554 0.138 0.000 2.737 664 T HA -0.212 4.142 4.350 0.007 0.000 0.269 664 T C 1.774 176.541 174.700 0.111 0.000 1.040 664 T CA 1.713 63.884 62.100 0.118 0.000 1.142 664 T CB -0.302 68.671 68.868 0.175 0.000 0.861 664 T HN 0.708 nan 8.240 nan 0.000 0.456 665 E N 0.423 120.721 120.200 0.164 0.000 2.000 665 E HA -0.221 4.133 4.350 0.007 0.000 0.199 665 E C 2.091 178.790 176.600 0.166 0.000 1.011 665 E CA 1.630 58.136 56.400 0.176 0.000 0.836 665 E CB -0.343 29.487 29.700 0.216 0.000 0.778 665 E HN 0.740 nan 8.360 nan 0.000 0.462 666 Y N 0.910 121.259 120.300 0.083 0.000 2.497 666 Y HA -0.051 4.503 4.550 0.006 0.000 0.292 666 Y C 1.387 177.319 175.900 0.054 0.000 1.137 666 Y CA 0.914 59.052 58.100 0.063 0.000 1.285 666 Y CB -0.292 38.202 38.460 0.056 0.000 0.991 666 Y HN 0.062 nan 8.280 nan 0.000 0.556 667 Q N 2.581 122.156 119.800 -0.376 0.000 3.047 667 Q HA 0.142 4.485 4.340 0.007 0.000 0.273 667 Q C -1.429 174.504 176.000 -0.112 0.000 1.243 667 Q CA 0.194 55.805 55.803 -0.321 0.000 0.929 667 Q CB -0.637 27.957 28.738 -0.240 0.000 1.721 667 Q HN 0.485 nan 8.270 nan 0.000 0.471 679 Y N 2.690 123.024 120.300 0.055 0.000 2.388 679 Y HA 0.540 5.094 4.550 0.007 0.000 0.328 679 Y C -0.545 175.406 175.900 0.085 0.000 0.963 679 Y CA -0.072 58.067 58.100 0.064 0.000 1.240 679 Y CB 1.501 40.006 38.460 0.075 0.000 1.118 679 Y HN 0.185 nan 8.280 nan 0.000 0.484 680 T N 2.200 116.639 114.554 -0.193 0.000 2.930 680 T HA 0.101 4.455 4.350 0.007 0.000 0.290 680 T C 0.832 175.484 174.700 -0.081 0.000 1.052 680 T CA -0.747 61.327 62.100 -0.044 0.000 1.017 680 T CB 0.830 69.702 68.868 0.007 0.000 1.137 680 T HN 0.887 nan 8.240 nan 0.000 0.511 681 W N 1.602 122.844 121.300 -0.097 0.000 2.275 681 W HA -0.296 4.368 4.660 0.007 0.000 0.321 681 W C 1.821 178.262 176.519 -0.130 0.000 1.269 681 W CA 2.370 59.667 57.345 -0.080 0.000 1.274 681 W CB -0.860 28.584 29.460 -0.027 0.000 1.141 681 W HN 0.740 nan 8.180 nan 0.000 0.493 682 S N 0.463 116.136 115.700 -0.044 0.000 2.359 682 S HA -0.237 4.237 4.470 0.007 0.000 0.224 682 S C 1.856 176.281 174.600 -0.292 0.000 1.035 682 S CA 2.235 60.338 58.200 -0.161 0.000 1.018 682 S CB -0.746 62.437 63.200 -0.028 0.000 0.876 682 S HN 0.447 nan 8.310 nan 0.000 0.448 683 S N 1.191 116.692 115.700 -0.331 0.000 2.584 683 S HA 0.077 4.551 4.470 0.007 0.000 0.240 683 S C 1.484 175.769 174.600 -0.527 0.000 0.975 683 S CA 0.549 58.498 58.200 -0.418 0.000 0.949 683 S CB -0.485 62.426 63.200 -0.482 0.000 0.761 683 S HN 0.399 nan 8.310 nan 0.000 0.536 684 L N -0.664 120.213 121.223 -0.578 0.000 2.253 684 L HA 0.184 4.528 4.340 0.007 0.000 0.205 684 L C 2.353 178.891 176.870 -0.553 0.000 1.078 684 L CA 0.318 54.824 54.840 -0.556 0.000 0.805 684 L CB -0.377 41.289 42.059 -0.654 0.000 0.963 684 L HN 0.303 nan 8.230 nan 0.000 0.459 685 L N 0.451 121.288 121.223 -0.644 0.000 2.056 685 L HA -0.131 4.213 4.340 0.007 0.000 0.207 685 L C 2.177 178.847 176.870 -0.334 0.000 1.078 685 L CA 1.734 56.250 54.840 -0.540 0.000 0.749 685 L CB -0.765 40.994 42.059 -0.501 0.000 0.901 685 L HN 0.285 nan 8.230 nan 0.000 0.433 686 N N -0.525 118.013 118.700 -0.270 0.000 2.416 686 N HA -0.091 4.652 4.740 0.007 0.000 0.177 686 N C 1.071 176.491 175.510 -0.151 0.000 1.036 686 N CA 0.575 53.519 53.050 -0.176 0.000 0.901 686 N CB 0.010 38.418 38.487 -0.132 0.000 0.976 686 N HN 0.490 nan 8.380 nan 0.000 0.444 687 E N 0.365 120.459 120.200 -0.176 0.000 2.403 687 E HA 0.149 4.503 4.350 0.007 0.000 0.187 687 E C 0.237 176.752 176.600 -0.141 0.000 1.073 687 E CA -0.361 55.962 56.400 -0.128 0.000 0.888 687 E CB -0.092 29.544 29.700 -0.107 0.000 1.035 687 E HN 0.259 nan 8.360 nan 0.000 0.471 688 G N 1.613 110.314 108.800 -0.166 0.000 2.371 688 G HA2 -0.267 3.697 3.960 0.007 0.000 0.299 688 G HA3 -0.267 3.697 3.960 0.007 0.000 0.299 688 G C 0.492 175.305 174.900 -0.146 0.000 1.014 688 G CA 0.293 45.303 45.100 -0.150 0.000 1.097 688 G HN 0.359 nan 8.290 nan 0.000 0.512 689 L N -1.832 119.277 121.223 -0.191 0.000 2.731 689 L HA 0.437 4.781 4.340 0.007 0.000 0.240 689 L C 0.596 177.419 176.870 -0.078 0.000 1.120 689 L CA -0.038 54.720 54.840 -0.137 0.000 0.913 689 L CB 0.650 42.591 42.059 -0.195 0.000 1.213 689 L HN 0.197 nan 8.230 nan 0.000 0.515 690 V N -0.108 119.691 119.914 -0.192 0.000 2.969 690 V HA 0.370 4.494 4.120 0.007 0.000 0.304 690 V C -1.421 174.513 176.094 -0.267 0.000 1.192 690 V CA -0.569 61.591 62.300 -0.232 0.000 0.962 690 V CB 3.490 35.007 31.823 -0.509 0.000 1.045 690 V HN 0.115 nan 8.190 nan 0.000 0.428 691 E N 1.860 121.964 120.200 -0.160 0.000 2.393 691 E HA 0.581 4.935 4.350 0.007 0.000 0.273 691 E C -1.947 174.600 176.600 -0.088 0.000 0.918 691 E CA -0.655 55.661 56.400 -0.141 0.000 0.773 691 E CB 2.440 32.179 29.700 0.066 0.000 1.275 691 E HN 0.642 nan 8.360 nan 0.000 0.451 692 Y N 2.330 122.660 120.300 0.050 0.000 2.328 692 Y HA 0.401 4.955 4.550 0.007 0.000 0.337 692 Y C -0.137 175.782 175.900 0.031 0.000 1.008 692 Y CA -1.089 57.068 58.100 0.096 0.000 1.129 692 Y CB 1.036 39.507 38.460 0.018 0.000 1.185 692 Y HN 0.233 nan 8.280 nan 0.000 0.476 693 I N 4.706 125.427 120.570 0.253 0.000 2.418 693 I HA 0.137 4.311 4.170 0.007 0.000 0.287 693 I C -0.373 175.849 176.117 0.175 0.000 1.008 693 I CA -0.816 60.553 61.300 0.116 0.000 1.104 693 I CB 1.313 39.300 38.000 -0.023 0.000 1.264 693 I HN 0.682 nan 8.210 nan 0.000 0.438 694 D N 5.307 125.794 120.400 0.144 0.000 2.432 694 D HA 0.301 4.945 4.640 0.007 0.000 0.258 694 D C 0.891 177.267 176.300 0.126 0.000 1.146 694 D CA -0.513 53.581 54.000 0.156 0.000 1.015 694 D CB 1.684 42.553 40.800 0.115 0.000 1.107 694 D HN 0.461 nan 8.370 nan 0.000 0.529 695 A N 0.197 123.106 122.820 0.148 0.000 2.024 695 A HA -0.218 4.106 4.320 0.007 0.000 0.220 695 A C 1.978 179.681 177.584 0.198 0.000 1.164 695 A CA 1.959 54.118 52.037 0.203 0.000 0.643 695 A CB -0.781 18.387 19.000 0.280 0.000 0.806 695 A HN 0.692 nan 8.150 nan 0.000 0.451 696 E N -0.271 119.984 120.200 0.092 0.000 2.152 696 E HA -0.134 4.220 4.350 0.007 0.000 0.192 696 E C 1.921 178.551 176.600 0.050 0.000 0.983 696 E CA 1.410 57.825 56.400 0.025 0.000 0.818 696 E CB -0.108 29.549 29.700 -0.072 0.000 0.758 696 E HN 0.738 nan 8.360 nan 0.000 0.467 697 E N -0.114 120.121 120.200 0.058 0.000 2.250 697 E HA -0.124 4.230 4.350 0.007 0.000 0.192 697 E C 1.743 178.369 176.600 0.042 0.000 0.986 697 E CA 0.416 56.846 56.400 0.050 0.000 0.849 697 E CB 0.019 29.745 29.700 0.043 0.000 0.797 697 E HN 0.275 nan 8.360 nan 0.000 0.482 698 E N 0.748 120.981 120.200 0.056 0.000 2.209 698 E HA -0.219 4.135 4.350 0.007 0.000 0.196 698 E C 1.585 178.221 176.600 0.061 0.000 0.993 698 E CA 0.892 57.321 56.400 0.049 0.000 0.819 698 E CB 0.120 29.878 29.700 0.096 0.000 0.745 698 E HN 0.248 nan 8.360 nan 0.000 0.477 699 E N -0.332 119.920 120.200 0.087 0.000 2.401 699 E HA -0.113 4.241 4.350 0.007 0.000 0.199 699 E C 1.534 178.169 176.600 0.058 0.000 1.023 699 E CA 1.128 57.580 56.400 0.087 0.000 0.859 699 E CB 0.180 29.942 29.700 0.103 0.000 0.780 699 E HN 0.259 nan 8.360 nan 0.000 0.523 700 S N -0.390 115.341 115.700 0.053 0.000 2.603 700 S HA 0.154 4.628 4.470 0.007 0.000 0.232 700 S C 0.688 175.331 174.600 0.071 0.000 1.016 700 S CA -0.650 57.581 58.200 0.052 0.000 0.976 700 S CB -0.211 63.017 63.200 0.047 0.000 0.921 700 S HN 0.213 nan 8.310 nan 0.000 0.516 701 I N -1.386 119.233 120.570 0.082 0.000 2.846 701 I HA 0.812 4.986 4.170 0.007 0.000 0.307 701 I C -1.249 174.948 176.117 0.133 0.000 1.053 701 I CA -1.629 59.754 61.300 0.139 0.000 1.050 701 I CB 1.858 39.960 38.000 0.170 0.000 1.239 701 I HN 0.067 nan 8.210 nan 0.000 0.439 702 L N 5.008 126.348 121.223 0.195 0.000 2.325 702 L HA 0.620 4.964 4.340 0.007 0.000 0.281 702 L C -1.045 176.000 176.870 0.292 0.000 1.004 702 L CA -0.234 54.737 54.840 0.219 0.000 0.823 702 L CB 1.314 43.516 42.059 0.238 0.000 1.236 702 L HN 0.555 nan 8.230 nan 0.000 0.415 703 I N 5.137 125.799 120.570 0.153 0.000 2.336 703 I HA 0.572 4.746 4.170 0.007 0.000 0.292 703 I C 0.461 176.438 176.117 -0.235 0.000 0.991 703 I CA -0.513 60.794 61.300 0.012 0.000 1.227 703 I CB 1.700 39.698 38.000 -0.005 0.000 1.366 703 I HN 0.789 nan 8.210 nan 0.000 0.466 704 A N 5.392 127.809 122.820 -0.672 0.000 2.304 704 A HA 0.405 4.729 4.320 0.007 0.000 0.271 704 A C 0.634 178.011 177.584 -0.345 0.000 1.091 704 A CA -0.368 51.139 52.037 -0.883 0.000 0.812 704 A CB 0.765 18.967 19.000 -1.331 0.000 1.056 704 A HN 0.861 nan 8.150 nan 0.000 0.489 705 M N -0.498 118.957 119.600 -0.242 0.000 2.534 705 M HA 0.105 4.588 4.480 0.007 0.000 0.263 705 M C 0.061 176.290 176.300 -0.120 0.000 1.152 705 M CA 1.244 56.463 55.300 -0.134 0.000 1.145 705 M CB 0.177 32.705 32.600 -0.120 0.000 1.333 705 M HN 0.714 nan 8.290 nan 0.000 0.477 706 Q N 0.055 119.774 119.800 -0.134 0.000 2.269 706 Q HA 0.297 4.641 4.340 0.007 0.000 0.263 706 Q C -2.395 173.545 176.000 -0.100 0.000 0.983 706 Q CA -2.006 53.740 55.803 -0.095 0.000 0.777 706 Q CB 1.517 30.214 28.738 -0.069 0.000 1.273 706 Q HN -0.032 nan 8.270 nan 0.000 0.440 707 P HA -0.340 nan 4.420 nan 0.000 0.210 707 P C 0.618 177.865 177.300 -0.088 0.000 1.151 707 P CA 1.965 65.000 63.100 -0.109 0.000 0.949 707 P CB 0.270 31.903 31.700 -0.111 0.000 0.786 708 E N 0.298 120.469 120.200 -0.049 0.000 1.964 708 E HA -0.176 4.178 4.350 0.007 0.000 0.203 708 E C 1.880 178.453 176.600 -0.046 0.000 0.952 708 E CA 1.105 57.490 56.400 -0.025 0.000 0.892 708 E CB -1.771 27.934 29.700 0.008 0.000 0.831 708 E HN 0.076 nan 8.360 nan 0.000 0.548 709 D N -0.048 120.335 120.400 -0.029 0.000 4.047 709 D HA -0.232 4.412 4.640 0.007 0.000 0.199 709 D C 1.637 177.834 176.300 -0.173 0.000 1.319 709 D CA 1.649 55.620 54.000 -0.049 0.000 0.865 709 D CB -0.293 40.496 40.800 -0.018 0.000 0.911 709 D HN 0.151 nan 8.370 nan 0.000 0.579 710 L N 0.264 121.377 121.223 -0.183 0.000 2.650 710 L HA -0.039 4.305 4.340 0.007 0.000 0.235 710 L C 0.865 177.564 176.870 -0.286 0.000 1.149 710 L CA 0.949 55.632 54.840 -0.262 0.000 0.887 710 L CB -0.401 41.551 42.059 -0.178 0.000 1.021 710 L HN 0.351 nan 8.230 nan 0.000 0.441 711 E N -1.733 118.332 120.200 -0.224 0.000 3.279 711 E HA 0.197 4.551 4.350 0.007 0.000 0.132 711 E C -2.608 174.089 176.600 0.162 0.000 0.907 711 E CA -0.756 55.648 56.400 0.005 0.000 1.491 711 E CB -0.074 29.745 29.700 0.200 0.000 1.021 711 E HN 0.124 nan 8.360 nan 0.000 0.390 712 P HA 0.381 nan 4.420 nan 0.000 0.281 712 P C 0.451 177.884 177.300 0.222 0.000 1.281 712 P CA -0.230 62.968 63.100 0.164 0.000 0.811 712 P CB 1.026 32.787 31.700 0.103 0.000 1.154 713 A N 0.404 123.248 122.820 0.041 0.000 2.845 713 A HA 0.033 4.357 4.320 0.007 0.000 0.232 713 A C 0.300 177.850 177.584 -0.057 0.000 1.378 713 A CA 0.904 52.911 52.037 -0.049 0.000 1.130 713 A CB -0.796 18.125 19.000 -0.132 0.000 1.412 713 A HN 0.533 nan 8.150 nan 0.000 0.673 714 E N -0.785 119.356 120.200 -0.099 0.000 2.235 714 E HA 0.539 4.893 4.350 0.007 0.000 0.252 714 E C -0.063 176.497 176.600 -0.066 0.000 0.886 714 E CA -0.053 56.274 56.400 -0.121 0.000 0.767 714 E CB 1.249 30.846 29.700 -0.172 0.000 1.205 714 E HN 0.743 nan 8.360 nan 0.000 0.421 723 V N -0.250 119.680 119.914 0.028 0.000 3.336 723 V HA 0.685 4.809 4.120 0.007 0.000 0.314 723 V C -0.430 175.684 176.094 0.033 0.000 1.088 723 V CA -0.531 61.788 62.300 0.032 0.000 1.033 723 V CB 1.705 33.548 31.823 0.034 0.000 1.181 723 V HN 0.114 nan 8.190 nan 0.000 0.449 724 D N 0.893 121.315 120.400 0.038 0.000 2.317 724 D HA 0.470 5.114 4.640 0.007 0.000 0.234 724 D C -1.835 174.488 176.300 0.039 0.000 1.112 724 D CA -2.017 52.007 54.000 0.039 0.000 0.840 724 D CB 1.734 42.560 40.800 0.045 0.000 1.078 724 D HN 0.406 nan 8.370 nan 0.000 0.486 725 P HA 0.010 nan 4.420 nan 0.000 0.221 725 P C 0.899 178.220 177.300 0.035 0.000 1.150 725 P CA 0.662 63.782 63.100 0.032 0.000 0.800 725 P CB 0.321 32.038 31.700 0.028 0.000 0.787 726 A N 0.013 122.856 122.820 0.038 0.000 1.930 726 A HA -0.109 4.214 4.320 0.007 0.000 0.217 726 A C 1.126 178.741 177.584 0.051 0.000 1.175 726 A CA 0.893 52.954 52.037 0.041 0.000 0.627 726 A CB -0.770 18.253 19.000 0.039 0.000 0.815 726 A HN 0.146 nan 8.150 nan 0.000 0.443 727 K N 1.760 122.193 120.400 0.056 0.000 2.416 727 K HA 0.114 4.438 4.320 0.007 0.000 0.283 727 K C 0.065 176.701 176.600 0.060 0.000 1.037 727 K CA -0.286 56.041 56.287 0.067 0.000 0.995 727 K CB 0.463 33.003 32.500 0.068 0.000 0.938 727 K HN 0.626 nan 8.250 nan 0.000 0.475 728 R N 2.005 122.543 120.500 0.065 0.000 2.740 728 R HA -0.035 4.309 4.340 0.007 0.000 0.263 728 R C 0.032 176.358 176.300 0.044 0.000 0.997 728 R CA -0.205 55.924 56.100 0.048 0.000 1.108 728 R CB 0.043 30.369 30.300 0.044 0.000 0.969 728 R HN 0.336 nan 8.270 nan 0.000 0.431 729 I N 2.334 122.924 120.570 0.033 0.000 2.471 729 I HA 0.140 4.314 4.170 0.007 0.000 0.286 729 I C 0.964 177.100 176.117 0.033 0.000 1.079 729 I CA -0.120 61.200 61.300 0.033 0.000 1.398 729 I CB 0.625 38.641 38.000 0.026 0.000 1.403 729 I HN 0.637 nan 8.210 nan 0.000 0.530 730 R N 3.705 124.230 120.500 0.042 0.000 2.603 730 R HA 0.564 4.908 4.340 0.007 0.000 0.231 730 R C 0.962 177.295 176.300 0.056 0.000 1.263 730 R CA -0.421 55.705 56.100 0.043 0.000 1.102 730 R CB 0.969 31.299 30.300 0.049 0.000 1.527 730 R HN 0.468 nan 8.270 nan 0.000 0.554 731 V N -3.474 116.484 119.914 0.074 0.000 3.204 731 V HA 0.525 4.649 4.120 0.007 0.000 0.218 731 V C 0.347 176.581 176.094 0.235 0.000 1.159 731 V CA 0.016 62.384 62.300 0.114 0.000 1.282 731 V CB -0.059 31.804 31.823 0.067 0.000 1.225 731 V HN 0.570 nan 8.190 nan 0.000 0.509 732 S N -2.350 113.508 115.700 0.264 0.000 2.625 732 S HA 0.295 4.769 4.470 0.007 0.000 0.268 732 S C 0.098 174.846 174.600 0.246 0.000 1.075 732 S CA -0.118 58.239 58.200 0.261 0.000 0.936 732 S CB 0.142 63.394 63.200 0.087 0.000 1.190 732 S HN 0.715 nan 8.310 nan 0.000 0.474 733 H N 1.806 120.897 119.070 0.035 0.000 2.937 733 H HA -0.001 4.559 4.556 0.007 0.000 0.298 733 H C 0.298 175.700 175.328 0.122 0.000 1.025 733 H CA 2.347 58.440 56.048 0.074 0.000 1.051 733 H CB -0.755 28.971 29.762 -0.060 0.000 1.533 733 H HN 0.642 nan 8.280 nan 0.000 0.809 734 H N -0.047 119.131 119.070 0.180 0.000 2.701 734 H HA -0.083 4.477 4.556 0.007 0.000 0.254 734 H C 0.590 175.907 175.328 -0.018 0.000 0.687 734 H CA 0.481 56.557 56.048 0.047 0.000 0.911 734 H CB -0.871 28.908 29.762 0.028 0.000 1.323 734 H HN 0.955 nan 8.280 nan 0.000 0.329 735 A N 2.272 125.105 122.820 0.022 0.000 2.202 735 A HA -0.014 4.310 4.320 0.007 0.000 0.597 735 A C 0.663 178.016 177.584 -0.384 0.000 0.318 735 A CA 0.880 52.846 52.037 -0.119 0.000 0.265 735 A CB -1.292 17.669 19.000 -0.065 0.000 3.467 735 A HN 1.602 nan 8.150 nan 0.000 0.477 736 T N -0.031 114.278 114.554 -0.409 0.000 3.198 736 T HA 0.651 5.005 4.350 0.007 0.000 0.352 736 T C -0.117 174.350 174.700 -0.388 0.000 1.197 736 T CA 0.371 62.144 62.100 -0.546 0.000 1.427 736 T CB 1.214 69.949 68.868 -0.222 0.000 0.983 736 T HN 2.129 nan 8.240 nan 0.000 0.560 737 T N 1.833 116.080 114.554 -0.510 0.000 4.898 737 T HA 0.257 4.611 4.350 0.007 0.000 0.313 737 T C -0.399 174.238 174.700 -0.104 0.000 0.900 737 T CA -0.432 61.544 62.100 -0.206 0.000 0.811 737 T CB -0.652 68.128 68.868 -0.146 0.000 0.848 737 T HN 0.555 nan 8.240 nan 0.000 0.377 738 F N 1.424 121.388 119.950 0.023 0.000 2.485 738 F HA 0.363 4.894 4.527 0.007 0.000 0.327 738 F C 2.060 177.857 175.800 -0.005 0.000 1.203 738 F CA 0.430 58.443 58.000 0.021 0.000 1.295 738 F CB 1.189 40.199 39.000 0.017 0.000 1.191 738 F HN 0.270 nan 8.300 nan 0.000 0.588 739 T N -3.459 111.235 114.554 0.234 0.000 3.028 739 T HA 0.267 4.621 4.350 0.007 0.000 0.262 739 T C -0.431 174.068 174.700 -0.334 0.000 0.916 739 T CA -0.187 61.908 62.100 -0.009 0.000 0.873 739 T CB -0.023 68.922 68.868 0.128 0.000 1.232 739 T HN 0.595 nan 8.240 nan 0.000 0.529 740 H N -0.603 118.516 119.070 0.081 0.000 3.042 740 H HA 0.694 5.254 4.556 0.007 0.000 0.346 740 H C -1.572 173.732 175.328 -0.040 0.000 1.294 740 H CA -0.839 55.233 56.048 0.040 0.000 1.141 740 H CB 1.914 31.705 29.762 0.050 0.000 1.872 740 H HN 0.347 nan 8.280 nan 0.000 0.541 741 C N 2.031 121.422 119.300 0.151 0.000 2.609 741 C HA 0.479 4.943 4.460 0.007 0.000 0.313 741 C C -0.368 174.723 174.990 0.169 0.000 1.175 741 C CA -0.533 58.517 59.018 0.053 0.000 1.434 741 C CB 0.630 28.361 27.740 -0.014 0.000 2.005 741 C HN 0.897 nan 8.230 nan 0.000 0.471 742 E N 3.011 123.256 120.200 0.076 0.000 2.568 742 E HA 0.038 4.392 4.350 0.007 0.000 0.262 742 E C 1.090 177.745 176.600 0.091 0.000 0.961 742 E CA 0.199 56.645 56.400 0.077 0.000 0.945 742 E CB 0.342 30.074 29.700 0.053 0.000 0.924 742 E HN 0.554 nan 8.360 nan 0.000 0.467 743 I N 2.220 122.737 120.570 -0.088 0.000 2.193 743 I HA -0.113 4.061 4.170 0.007 0.000 0.240 743 I C 0.712 176.788 176.117 -0.069 0.000 1.084 743 I CA 1.277 62.418 61.300 -0.265 0.000 1.365 743 I CB -0.459 37.243 38.000 -0.497 0.000 1.064 743 I HN 0.580 nan 8.210 nan 0.000 0.410 744 H N 0.458 119.398 119.070 -0.216 0.000 3.137 744 H HA 0.182 4.742 4.556 0.007 0.000 0.336 744 H C -2.171 173.127 175.328 -0.050 0.000 1.055 744 H CA -0.969 54.977 56.048 -0.170 0.000 1.349 744 H CB 2.024 31.521 29.762 -0.442 0.000 1.939 744 H HN -0.278 nan 8.280 nan 0.000 0.487 745 P HA -0.238 nan 4.420 nan 0.000 0.217 745 P C 1.261 178.793 177.300 0.386 0.000 1.148 745 P CA 1.903 65.046 63.100 0.070 0.000 0.834 745 P CB 0.154 31.779 31.700 -0.125 0.000 0.783 746 S N -2.116 114.063 115.700 0.799 0.000 2.515 746 S HA -0.033 4.441 4.470 0.007 0.000 0.231 746 S C 1.679 176.430 174.600 0.252 0.000 0.987 746 S CA 0.544 59.075 58.200 0.552 0.000 0.936 746 S CB -0.926 62.574 63.200 0.501 0.000 0.766 746 S HN -0.107 nan 8.310 nan 0.000 0.528 747 M N 2.186 121.880 119.600 0.156 0.000 2.700 747 M HA 0.238 4.722 4.480 0.007 0.000 0.249 747 M C 1.624 177.850 176.300 -0.123 0.000 1.082 747 M CA -0.100 55.189 55.300 -0.019 0.000 1.077 747 M CB -1.329 31.193 32.600 -0.129 0.000 1.477 747 M HN 0.695 nan 8.290 nan 0.000 0.529 748 I N -3.251 117.221 120.570 -0.164 0.000 3.419 748 I HA 0.075 4.249 4.170 0.007 0.000 0.286 748 I C 0.387 176.377 176.117 -0.212 0.000 1.268 748 I CA 0.093 61.181 61.300 -0.353 0.000 1.414 748 I CB -0.027 37.561 38.000 -0.687 0.000 1.074 748 I HN -0.070 nan 8.210 nan 0.000 0.457 749 L N 1.867 123.033 121.223 -0.094 0.000 2.379 749 L HA 0.650 4.994 4.340 0.007 0.000 0.269 749 L C 0.599 177.438 176.870 -0.051 0.000 1.084 749 L CA -0.558 54.244 54.840 -0.062 0.000 0.802 749 L CB 1.224 43.269 42.059 -0.023 0.000 1.175 749 L HN 0.114 nan 8.230 nan 0.000 0.448 750 G N -0.023 108.746 108.800 -0.052 0.000 2.400 750 G HA2 0.425 4.389 3.960 0.007 0.000 0.333 750 G HA3 0.425 4.389 3.960 0.007 0.000 0.333 750 G C 0.725 175.612 174.900 -0.023 0.000 1.143 750 G CA -0.448 44.632 45.100 -0.034 0.000 0.914 750 G HN 0.531 nan 8.290 nan 0.000 0.480 751 V N 1.553 121.464 119.914 -0.006 0.000 2.552 751 V HA -0.469 3.655 4.120 0.007 0.000 0.203 751 V C 2.908 178.988 176.094 -0.024 0.000 1.029 751 V CA 4.068 66.362 62.300 -0.009 0.000 1.065 751 V CB -1.099 30.716 31.823 -0.012 0.000 1.088 751 V HN 1.136 nan 8.190 nan 0.000 0.478 752 A N -1.583 121.219 122.820 -0.030 0.000 1.874 752 A HA 0.238 4.562 4.320 0.007 0.000 0.214 752 A C 2.232 179.780 177.584 -0.060 0.000 1.189 752 A CA 2.080 54.096 52.037 -0.036 0.000 0.615 752 A CB -0.766 18.219 19.000 -0.026 0.000 0.830 752 A HN 1.282 nan 8.150 nan 0.000 0.443 753 A N -0.528 122.259 122.820 -0.056 0.000 2.121 753 A HA 0.002 4.326 4.320 0.007 0.000 0.218 753 A C 2.171 179.707 177.584 -0.080 0.000 1.154 753 A CA 1.643 53.642 52.037 -0.063 0.000 0.679 753 A CB -0.655 18.316 19.000 -0.050 0.000 0.795 753 A HN 0.389 nan 8.150 nan 0.000 0.458 754 S N -0.117 115.538 115.700 -0.075 0.000 2.507 754 S HA -0.033 4.441 4.470 0.007 0.000 0.235 754 S C 1.476 175.981 174.600 -0.158 0.000 0.988 754 S CA 0.667 58.820 58.200 -0.079 0.000 0.944 754 S CB -0.267 62.918 63.200 -0.026 0.000 0.762 754 S HN 0.501 nan 8.310 nan 0.000 0.526 755 I N 1.223 121.661 120.570 -0.220 0.000 2.716 755 I HA 0.124 4.298 4.170 0.007 0.000 0.259 755 I C 0.802 176.734 176.117 -0.308 0.000 1.172 755 I CA 0.065 61.141 61.300 -0.374 0.000 1.478 755 I CB -0.932 36.805 38.000 -0.438 0.000 1.104 755 I HN 0.204 nan 8.210 nan 0.000 0.439 756 I N 4.722 125.170 120.570 -0.203 0.000 2.587 756 I HA 0.034 4.208 4.170 0.007 0.000 0.284 756 I C -1.916 174.124 176.117 -0.129 0.000 1.134 756 I CA -1.250 59.959 61.300 -0.153 0.000 1.410 756 I CB 0.115 38.078 38.000 -0.062 0.000 1.392 756 I HN -0.048 nan 8.210 nan 0.000 0.545 757 P HA 0.113 nan 4.420 nan 0.000 0.279 757 P C -0.155 177.155 177.300 0.017 0.000 1.239 757 P CA -0.230 62.760 63.100 -0.183 0.000 0.789 757 P CB 0.455 32.046 31.700 -0.181 0.000 0.933 758 F N 0.730 120.697 119.950 0.028 0.000 3.004 758 F HA -0.180 4.351 4.527 0.006 0.000 0.264 758 F C -0.805 175.061 175.800 0.109 0.000 0.979 758 F CA -0.337 57.713 58.000 0.084 0.000 0.896 758 F CB -1.632 37.392 39.000 0.039 0.000 0.813 758 F HN 0.373 nan 8.300 nan 0.000 0.804 759 P HA -0.178 nan 4.420 nan 0.000 0.222 759 P C 0.950 178.321 177.300 0.119 0.000 1.147 759 P CA 1.921 65.094 63.100 0.121 0.000 0.790 759 P CB -0.007 31.704 31.700 0.018 0.000 0.780 760 D N -1.772 118.689 120.400 0.101 0.000 2.338 760 D HA -0.124 4.520 4.640 0.007 0.000 0.239 760 D C 0.975 177.224 176.300 -0.086 0.000 1.095 760 D CA 0.410 54.445 54.000 0.057 0.000 0.888 760 D CB -1.124 39.708 40.800 0.054 0.000 0.899 760 D HN 0.366 nan 8.370 nan 0.000 0.525 761 H N -0.668 118.451 119.070 0.081 0.000 3.078 761 H HA 0.274 4.834 4.556 0.007 0.000 0.263 761 H C -0.302 175.037 175.328 0.019 0.000 1.177 761 H CA -0.462 55.603 56.048 0.028 0.000 1.128 761 H CB 0.562 30.303 29.762 -0.035 0.000 1.623 761 H HN 0.142 nan 8.280 nan 0.000 0.592 762 N N 1.546 120.327 118.700 0.135 0.000 2.417 762 N HA 0.082 4.826 4.740 0.007 0.000 0.300 762 N C -0.240 175.305 175.510 0.059 0.000 1.102 762 N CA -0.418 52.686 53.050 0.090 0.000 0.886 762 N CB 2.172 40.726 38.487 0.111 0.000 1.203 762 N HN 0.130 nan 8.380 nan 0.000 0.496 763 Q N 1.354 121.180 119.800 0.043 0.000 2.274 763 Q HA 0.005 4.349 4.340 0.007 0.000 0.280 763 Q C 0.439 176.437 176.000 -0.003 0.000 1.047 763 Q CA -0.055 55.761 55.803 0.021 0.000 0.907 763 Q CB 0.602 29.354 28.738 0.023 0.000 1.171 763 Q HN 0.748 nan 8.270 nan 0.000 0.381 764 S N 6.198 121.888 115.700 -0.016 0.000 2.377 764 S HA -0.172 4.302 4.470 0.007 0.000 0.224 764 S C -1.059 173.462 174.600 -0.132 0.000 1.042 764 S CA 1.604 59.775 58.200 -0.047 0.000 1.086 764 S CB -1.448 61.729 63.200 -0.038 0.000 0.995 764 S HN 0.744 nan 8.310 nan 0.000 0.428 765 P HA -0.170 nan 4.420 nan 0.000 0.218 765 P C 1.181 178.069 177.300 -0.686 0.000 1.147 765 P CA 1.339 64.159 63.100 -0.466 0.000 0.827 765 P CB -0.140 31.332 31.700 -0.380 0.000 0.778 766 R N -0.705 119.638 120.500 -0.261 0.000 2.073 766 R HA -0.010 4.334 4.340 0.007 0.000 0.229 766 R C 1.988 178.267 176.300 -0.035 0.000 1.120 766 R CA 0.822 56.892 56.100 -0.050 0.000 0.967 766 R CB -1.526 28.827 30.300 0.089 0.000 0.862 766 R HN 0.277 nan 8.270 nan 0.000 0.436 767 N N 0.210 118.881 118.700 -0.048 0.000 2.166 767 N HA -0.096 4.648 4.740 0.007 0.000 0.186 767 N C 1.602 177.076 175.510 -0.060 0.000 1.019 767 N CA 1.591 54.629 53.050 -0.021 0.000 0.856 767 N CB -0.365 38.113 38.487 -0.014 0.000 0.993 767 N HN 0.188 nan 8.380 nan 0.000 0.426 768 T N 0.540 115.006 114.554 -0.146 0.000 2.674 768 T HA -0.099 4.255 4.350 0.007 0.000 0.265 768 T C 1.734 176.406 174.700 -0.046 0.000 1.039 768 T CA 1.091 63.105 62.100 -0.143 0.000 1.150 768 T CB -0.574 68.159 68.868 -0.225 0.000 0.864 768 T HN 0.358 nan 8.240 nan 0.000 0.427 769 Y N 1.388 121.688 120.300 -0.001 0.000 2.151 769 Y HA -0.231 4.323 4.550 0.007 0.000 0.284 769 Y C 2.914 178.807 175.900 -0.013 0.000 1.166 769 Y CA 1.006 59.103 58.100 -0.006 0.000 1.163 769 Y CB -0.323 38.139 38.460 0.003 0.000 0.974 769 Y HN 0.200 nan 8.280 nan 0.000 0.511 770 Q N 0.512 120.385 119.800 0.122 0.000 2.364 770 Q HA -0.109 4.235 4.340 0.007 0.000 0.207 770 Q C 1.764 177.771 176.000 0.012 0.000 0.970 770 Q CA 1.607 57.435 55.803 0.041 0.000 0.888 770 Q CB -0.238 28.494 28.738 -0.010 0.000 0.951 770 Q HN 0.232 nan 8.270 nan 0.000 0.469 771 S N -0.456 115.251 115.700 0.013 0.000 2.395 771 S HA 0.102 4.576 4.470 0.007 0.000 0.225 771 S C 1.817 176.420 174.600 0.004 0.000 1.027 771 S CA 0.620 58.816 58.200 -0.006 0.000 0.965 771 S CB -0.263 62.925 63.200 -0.020 0.000 0.812 771 S HN 0.615 nan 8.310 nan 0.000 0.482 772 A N 0.865 123.700 122.820 0.026 0.000 1.969 772 A HA 0.077 4.401 4.320 0.007 0.000 0.218 772 A C 2.032 179.623 177.584 0.013 0.000 1.169 772 A CA 1.149 53.197 52.037 0.019 0.000 0.635 772 A CB -0.392 18.633 19.000 0.042 0.000 0.810 772 A HN 0.467 nan 8.150 nan 0.000 0.445 773 M N -1.311 118.303 119.600 0.023 0.000 2.486 773 M HA 0.066 4.550 4.480 0.007 0.000 0.264 773 M C 2.079 178.392 176.300 0.022 0.000 1.125 773 M CA 0.744 56.056 55.300 0.019 0.000 1.144 773 M CB 0.075 32.686 32.600 0.018 0.000 1.353 773 M HN 0.489 nan 8.290 nan 0.000 0.466 774 G N 0.439 109.251 108.800 0.020 0.000 2.448 774 G HA2 -0.196 3.768 3.960 0.007 0.000 0.219 774 G HA3 -0.196 3.768 3.960 0.007 0.000 0.219 774 G C 1.502 176.449 174.900 0.079 0.000 1.127 774 G CA 0.701 45.827 45.100 0.044 0.000 0.766 774 G HN 0.368 nan 8.290 nan 0.000 0.552 775 K N 0.180 120.609 120.400 0.049 0.000 2.439 775 K HA -0.005 4.319 4.320 0.007 0.000 0.197 775 K C 1.730 178.376 176.600 0.076 0.000 1.041 775 K CA 0.781 57.098 56.287 0.050 0.000 0.970 775 K CB 0.126 32.623 32.500 -0.005 0.000 0.773 775 K HN 0.556 nan 8.250 nan 0.000 0.479 776 Q N -0.467 119.371 119.800 0.063 0.000 2.182 776 Q HA 0.350 4.694 4.340 0.007 0.000 0.270 776 Q C -0.697 175.414 176.000 0.184 0.000 0.861 776 Q CA -0.411 55.410 55.803 0.030 0.000 1.098 776 Q CB 1.234 29.890 28.738 -0.136 0.000 1.188 776 Q HN -0.030 nan 8.270 nan 0.000 0.464 777 A N 1.639 124.594 122.820 0.225 0.000 2.253 777 A HA 0.543 4.867 4.320 0.007 0.000 0.316 777 A C -0.083 177.570 177.584 0.116 0.000 1.327 777 A CA -0.610 51.514 52.037 0.144 0.000 0.917 777 A CB 0.392 19.458 19.000 0.111 0.000 1.162 777 A HN 0.439 nan 8.150 nan 0.000 0.535 778 M N 2.031 121.653 119.600 0.036 0.000 2.252 778 M HA 0.378 4.862 4.480 0.007 0.000 0.329 778 M C 0.996 177.253 176.300 -0.071 0.000 1.101 778 M CA 1.885 57.094 55.300 -0.152 0.000 1.117 778 M CB 0.583 33.120 32.600 -0.104 0.000 1.563 778 M HN 0.959 nan 8.290 nan 0.000 0.445 779 G N 0.502 109.236 108.800 -0.111 0.000 2.325 779 G HA2 0.313 4.277 3.960 0.007 0.000 0.295 779 G HA3 0.313 4.277 3.960 0.007 0.000 0.295 779 G C -1.590 173.239 174.900 -0.119 0.000 1.274 779 G CA -1.075 43.976 45.100 -0.082 0.000 0.857 779 G HN 0.552 nan 8.290 nan 0.000 0.499 780 V N 2.051 121.873 119.914 -0.152 0.000 2.425 780 V HA 0.224 4.348 4.120 0.007 0.000 0.276 780 V C 1.489 177.485 176.094 -0.164 0.000 1.017 780 V CA 0.849 63.026 62.300 -0.204 0.000 1.062 780 V CB -0.669 31.023 31.823 -0.217 0.000 0.997 780 V HN 0.768 nan 8.190 nan 0.000 0.476 781 F N 4.382 124.278 119.950 -0.091 0.000 2.416 781 F HA 0.494 5.024 4.527 0.006 0.000 0.296 781 F C 0.351 176.203 175.800 0.087 0.000 1.099 781 F CA 0.153 58.152 58.000 -0.001 0.000 1.427 781 F CB -0.007 38.970 39.000 -0.038 0.000 1.079 781 F HN 0.271 nan 8.300 nan 0.000 0.536 782 L N -0.391 120.437 121.223 -0.658 0.000 2.612 782 L HA 0.200 4.543 4.340 0.007 0.000 0.256 782 L C 0.864 177.546 176.870 -0.314 0.000 0.949 782 L CA -0.573 54.074 54.840 -0.322 0.000 0.867 782 L CB 2.011 43.990 42.059 -0.133 0.000 1.417 782 L HN -0.223 nan 8.230 nan 0.000 0.414 783 T N -0.447 114.036 114.554 -0.118 0.000 2.869 783 T HA -0.117 4.237 4.350 0.007 0.000 0.270 783 T C 1.133 175.715 174.700 -0.196 0.000 1.082 783 T CA 1.874 63.931 62.100 -0.073 0.000 1.123 783 T CB -0.393 68.533 68.868 0.097 0.000 0.856 783 T HN 0.655 nan 8.240 nan 0.000 0.499 784 N N 1.049 119.633 118.700 -0.193 0.000 2.320 784 N HA 0.002 4.746 4.740 0.007 0.000 0.237 784 N C 1.060 176.397 175.510 -0.289 0.000 1.129 784 N CA -0.410 52.508 53.050 -0.219 0.000 0.854 784 N CB -0.726 37.701 38.487 -0.101 0.000 1.083 784 N HN 0.592 nan 8.380 nan 0.000 0.504 785 Y N -0.522 119.581 120.300 -0.329 0.000 2.333 785 Y HA 0.084 4.637 4.550 0.006 0.000 0.290 785 Y C 1.735 177.453 175.900 -0.302 0.000 1.144 785 Y CA 0.810 58.705 58.100 -0.340 0.000 1.228 785 Y CB -1.010 37.154 38.460 -0.493 0.000 0.985 785 Y HN 0.117 nan 8.280 nan 0.000 0.542 786 N N 0.547 118.753 118.700 -0.823 0.000 2.309 786 N HA -0.125 4.619 4.740 0.007 0.000 0.182 786 N C 1.223 176.574 175.510 -0.265 0.000 1.018 786 N CA 1.461 54.206 53.050 -0.509 0.000 0.876 786 N CB 0.035 38.230 38.487 -0.486 0.000 0.972 786 N HN 0.386 nan 8.380 nan 0.000 0.434 787 V N -2.243 117.541 119.914 -0.216 0.000 3.621 787 V HA 0.317 4.441 4.120 0.007 0.000 0.285 787 V C 0.571 176.622 176.094 -0.072 0.000 1.346 787 V CA -0.149 62.079 62.300 -0.120 0.000 1.104 787 V CB -0.337 31.428 31.823 -0.098 0.000 0.913 787 V HN 0.101 nan 8.190 nan 0.000 0.432 788 R N 0.390 120.854 120.500 -0.060 0.000 2.553 788 R HA 0.668 5.012 4.340 0.007 0.000 0.263 788 R C -0.111 176.174 176.300 -0.024 0.000 1.066 788 R CA -0.517 55.581 56.100 -0.003 0.000 1.135 788 R CB 0.840 31.186 30.300 0.078 0.000 1.148 788 R HN 0.160 nan 8.270 nan 0.000 0.558 789 M N 2.344 121.938 119.600 -0.010 0.000 2.746 789 M HA 0.202 4.686 4.480 0.007 0.000 0.209 789 M C -1.398 174.883 176.300 -0.031 0.000 1.077 789 M CA -0.314 54.970 55.300 -0.028 0.000 0.695 789 M CB 0.728 33.312 32.600 -0.026 0.000 1.416 789 M HN 0.548 nan 8.290 nan 0.000 0.459 790 D N 1.545 121.921 120.400 -0.042 0.000 2.264 790 D HA 0.219 4.863 4.640 0.007 0.000 0.249 790 D C 0.201 176.442 176.300 -0.098 0.000 1.070 790 D CA 0.009 53.967 54.000 -0.071 0.000 0.912 790 D CB 1.208 41.938 40.800 -0.116 0.000 1.193 790 D HN 0.239 nan 8.370 nan 0.000 0.427 791 T N 1.062 115.555 114.554 -0.103 0.000 2.867 791 T HA 0.166 4.520 4.350 0.007 0.000 0.297 791 T C 0.791 175.403 174.700 -0.146 0.000 0.989 791 T CA -0.179 61.840 62.100 -0.134 0.000 1.159 791 T CB -0.020 68.784 68.868 -0.108 0.000 0.928 791 T HN 0.432 nan 8.240 nan 0.000 0.538 792 M N 1.428 120.906 119.600 -0.203 0.000 4.045 792 M HA -0.108 4.376 4.480 0.007 0.000 0.157 792 M C -0.410 175.785 176.300 -0.176 0.000 1.532 792 M CA 0.536 55.715 55.300 -0.202 0.000 1.096 792 M CB -0.801 31.797 32.600 -0.004 0.000 1.346 792 M HN 0.992 nan 8.290 nan 0.000 0.192 793 A N 5.013 127.711 122.820 -0.203 0.000 2.437 793 A HA 0.793 5.117 4.320 0.007 0.000 0.293 793 A C -0.857 176.738 177.584 0.018 0.000 1.038 793 A CA -0.847 51.147 52.037 -0.072 0.000 0.708 793 A CB 1.362 20.376 19.000 0.023 0.000 1.251 793 A HN 0.718 nan 8.150 nan 0.000 0.409 794 N N 1.624 120.318 118.700 -0.010 0.000 2.372 794 N HA 0.582 5.326 4.740 0.007 0.000 0.285 794 N C -1.740 173.717 175.510 -0.087 0.000 1.008 794 N CA -0.291 52.763 53.050 0.007 0.000 0.880 794 N CB 2.107 40.539 38.487 -0.091 0.000 1.239 794 N HN 0.477 nan 8.380 nan 0.000 0.484 795 I N 2.354 122.889 120.570 -0.058 0.000 2.466 795 I HA 0.239 4.413 4.170 0.007 0.000 0.289 795 I C -0.642 175.452 176.117 -0.038 0.000 1.026 795 I CA -0.630 60.572 61.300 -0.164 0.000 1.078 795 I CB 1.885 39.614 38.000 -0.452 0.000 1.249 795 I HN 0.353 nan 8.210 nan 0.000 0.429 796 L N 7.409 128.619 121.223 -0.021 0.000 2.410 796 L HA 0.166 4.510 4.340 0.007 0.000 0.273 796 L C 0.520 177.449 176.870 0.099 0.000 1.152 796 L CA 0.603 55.494 54.840 0.086 0.000 0.855 796 L CB 0.187 42.301 42.059 0.091 0.000 1.129 796 L HN 0.538 nan 8.230 nan 0.000 0.463 797 Y N 4.476 124.734 120.300 -0.070 0.000 2.053 797 Y HA -0.230 4.324 4.550 0.006 0.000 0.277 797 Y C 0.517 176.158 175.900 -0.431 0.000 1.159 797 Y CA 1.959 59.902 58.100 -0.262 0.000 1.125 797 Y CB -0.388 37.962 38.460 -0.184 0.000 0.969 797 Y HN 0.557 nan 8.280 nan 0.000 0.492 798 Y N -0.314 120.090 120.300 0.173 0.000 2.638 798 Y HA 0.358 4.911 4.550 0.006 0.000 0.367 798 Y C -2.221 173.699 175.900 0.032 0.000 1.001 798 Y CA -3.111 55.031 58.100 0.069 0.000 1.133 798 Y CB -0.044 38.447 38.460 0.053 0.000 1.199 798 Y HN -0.061 nan 8.280 nan 0.000 0.642 799 P HA -0.033 nan 4.420 nan 0.000 0.270 799 P C -0.508 176.838 177.300 0.077 0.000 1.216 799 P CA 0.409 63.550 63.100 0.069 0.000 0.788 799 P CB 0.660 32.349 31.700 -0.018 0.000 0.883 800 Q N 0.119 119.978 119.800 0.098 0.000 2.331 800 Q HA 0.127 4.471 4.340 0.007 0.000 0.249 800 Q C -0.568 175.493 176.000 0.102 0.000 0.913 800 Q CA -0.826 55.039 55.803 0.104 0.000 0.874 800 Q CB 1.833 30.659 28.738 0.147 0.000 1.384 800 Q HN 0.361 nan 8.270 nan 0.000 0.427 801 K N 3.580 123.974 120.400 -0.010 0.000 2.436 801 K HA 0.202 4.526 4.320 0.007 0.000 0.282 801 K C -2.243 174.276 176.600 -0.135 0.000 1.044 801 K CA -0.918 55.323 56.287 -0.077 0.000 1.028 801 K CB 0.282 32.733 32.500 -0.083 0.000 0.919 801 K HN 0.149 nan 8.250 nan 0.000 0.474 802 P HA -0.095 nan 4.420 nan 0.000 0.266 802 P C 0.510 177.635 177.300 -0.291 0.000 1.193 802 P CA 0.003 62.713 63.100 -0.650 0.000 0.770 802 P CB 0.688 31.694 31.700 -1.157 0.000 0.836 803 L N 1.034 122.145 121.223 -0.186 0.000 2.109 803 L HA 0.059 4.403 4.340 0.007 0.000 0.207 803 L C 1.617 178.402 176.870 -0.142 0.000 1.086 803 L CA 1.440 56.206 54.840 -0.125 0.000 0.760 803 L CB -0.712 41.301 42.059 -0.076 0.000 0.910 803 L HN 0.499 nan 8.230 nan 0.000 0.437 804 G N -0.700 108.001 108.800 -0.165 0.000 2.372 804 G HA2 0.523 4.487 3.960 0.007 0.000 0.323 804 G HA3 0.523 4.487 3.960 0.007 0.000 0.323 804 G C -0.400 174.343 174.900 -0.262 0.000 1.152 804 G CA -0.062 44.922 45.100 -0.193 0.000 0.906 804 G HN 0.084 nan 8.290 nan 0.000 0.460 805 T N -1.289 113.102 114.554 -0.272 0.000 2.676 805 T HA 0.836 5.190 4.350 0.007 0.000 0.269 805 T C -0.347 174.167 174.700 -0.310 0.000 0.952 805 T CA -0.780 61.151 62.100 -0.281 0.000 1.040 805 T CB 2.081 70.810 68.868 -0.232 0.000 1.352 805 T HN 0.427 nan 8.240 nan 0.000 0.554 806 T N 0.605 114.983 114.554 -0.293 0.000 2.952 806 T HA 0.415 4.769 4.350 0.007 0.000 0.305 806 T C 0.812 175.318 174.700 -0.324 0.000 1.064 806 T CA -0.914 61.010 62.100 -0.293 0.000 1.008 806 T CB 2.135 70.853 68.868 -0.251 0.000 1.078 806 T HN 0.471 nan 8.240 nan 0.000 0.459 807 R N 1.566 121.796 120.500 -0.450 0.000 2.127 807 R HA -0.052 4.292 4.340 0.007 0.000 0.238 807 R C 2.277 178.327 176.300 -0.418 0.000 1.134 807 R CA 1.413 57.093 56.100 -0.700 0.000 0.975 807 R CB -1.038 28.294 30.300 -1.614 0.000 0.865 807 R HN 0.739 nan 8.270 nan 0.000 0.447 808 A N 0.742 123.477 122.820 -0.142 0.000 2.015 808 A HA -0.080 4.244 4.320 0.007 0.000 0.219 808 A C 2.199 179.795 177.584 0.020 0.000 1.163 808 A CA 0.982 53.123 52.037 0.174 0.000 0.646 808 A CB -0.409 18.716 19.000 0.208 0.000 0.806 808 A HN 0.196 nan 8.150 nan 0.000 0.448 809 M N -0.754 118.772 119.600 -0.124 0.000 2.260 809 M HA -0.226 4.258 4.480 0.007 0.000 0.261 809 M C 2.005 178.215 176.300 -0.150 0.000 1.066 809 M CA 1.871 57.105 55.300 -0.110 0.000 1.082 809 M CB -0.230 32.291 32.600 -0.132 0.000 1.388 809 M HN 0.602 nan 8.290 nan 0.000 0.419 810 E N 0.417 120.404 120.200 -0.354 0.000 2.085 810 E HA -0.204 4.150 4.350 0.007 0.000 0.194 810 E C 1.184 177.457 176.600 -0.544 0.000 0.994 810 E CA 1.944 58.004 56.400 -0.568 0.000 0.801 810 E CB -0.310 28.812 29.700 -0.963 0.000 0.743 810 E HN 0.671 nan 8.360 nan 0.000 0.453 811 Y N -0.613 119.662 120.300 -0.041 0.000 2.482 811 Y HA 0.255 4.809 4.550 0.007 0.000 0.270 811 Y C 1.519 177.332 175.900 -0.145 0.000 1.152 811 Y CA 0.067 58.078 58.100 -0.149 0.000 1.292 811 Y CB 0.329 38.566 38.460 -0.372 0.000 1.070 811 Y HN -0.001 nan 8.280 nan 0.000 0.528 812 L N 0.017 121.256 121.223 0.026 0.000 2.640 812 L HA 0.105 4.449 4.340 0.007 0.000 0.230 812 L C 0.412 177.396 176.870 0.190 0.000 1.123 812 L CA 0.188 55.095 54.840 0.112 0.000 0.900 812 L CB 0.017 42.143 42.059 0.112 0.000 1.146 812 L HN 0.096 nan 8.230 nan 0.000 0.484 813 K N -0.397 120.049 120.400 0.077 0.000 3.071 813 K HA -0.261 4.063 4.320 0.007 0.000 0.265 813 K C 0.723 177.283 176.600 -0.066 0.000 1.060 813 K CA 0.639 56.923 56.287 -0.005 0.000 0.767 813 K CB -2.176 30.311 32.500 -0.021 0.000 1.241 813 K HN 0.245 nan 8.250 nan 0.000 0.486 814 F N 1.489 121.379 119.950 -0.100 0.000 2.234 814 F HA -0.036 4.495 4.527 0.007 0.000 0.296 814 F C 2.144 177.863 175.800 -0.135 0.000 1.089 814 F CA 0.952 58.897 58.000 -0.093 0.000 1.343 814 F CB 0.220 39.178 39.000 -0.070 0.000 1.040 814 F HN 0.068 nan 8.300 nan 0.000 0.498 815 R N 0.083 120.561 120.500 -0.036 0.000 2.237 815 R HA -0.093 4.250 4.340 0.007 0.000 0.219 815 R C 1.233 177.429 176.300 -0.174 0.000 1.080 815 R CA 1.236 57.275 56.100 -0.101 0.000 0.995 815 R CB -0.568 29.688 30.300 -0.074 0.000 0.875 815 R HN 0.336 nan 8.270 nan 0.000 0.462 816 E N 0.044 120.105 120.200 -0.231 0.000 2.364 816 E HA 0.108 4.462 4.350 0.007 0.000 0.196 816 E C 0.149 176.489 176.600 -0.434 0.000 0.990 816 E CA 0.364 56.607 56.400 -0.262 0.000 0.886 816 E CB 0.442 30.032 29.700 -0.183 0.000 0.866 816 E HN 0.005 nan 8.360 nan 0.000 0.493 817 L N 1.255 122.146 121.223 -0.553 0.000 3.059 817 L HA 0.281 4.625 4.340 0.007 0.000 0.298 817 L C -2.448 174.086 176.870 -0.560 0.000 1.304 817 L CA -1.416 53.063 54.840 -0.602 0.000 0.855 817 L CB 0.842 42.363 42.059 -0.897 0.000 1.266 817 L HN -0.087 nan 8.230 nan 0.000 0.572 818 P HA 0.252 nan 4.420 nan 0.000 0.270 818 P C -0.606 176.450 177.300 -0.406 0.000 1.223 818 P CA -0.176 62.466 63.100 -0.764 0.000 0.785 818 P CB 1.472 32.962 31.700 -0.349 0.000 0.923 819 A N 0.979 123.646 122.820 -0.257 0.000 2.745 819 A HA 0.693 5.017 4.320 0.007 0.000 0.301 819 A C -0.111 177.557 177.584 0.139 0.000 1.188 819 A CA 0.020 52.058 52.037 0.003 0.000 0.746 819 A CB 0.266 19.284 19.000 0.029 0.000 1.207 819 A HN 0.858 nan 8.150 nan 0.000 0.432 820 G N 0.800 109.658 108.800 0.096 0.000 2.312 820 G HA2 0.404 4.368 3.960 0.007 0.000 0.347 820 G HA3 0.404 4.368 3.960 0.007 0.000 0.347 820 G C -1.361 173.542 174.900 0.004 0.000 1.564 820 G CA -0.827 44.172 45.100 -0.169 0.000 0.981 820 G HN 0.741 nan 8.290 nan 0.000 0.678 821 Q N -0.523 119.327 119.800 0.083 0.000 2.495 821 Q HA 0.494 4.838 4.340 0.007 0.000 0.283 821 Q C -0.616 175.469 176.000 0.141 0.000 1.097 821 Q CA -1.156 54.703 55.803 0.094 0.000 0.836 821 Q CB 1.897 30.459 28.738 -0.292 0.000 1.426 821 Q HN 0.396 nan 8.270 nan 0.000 0.459 822 N N 0.861 119.623 118.700 0.103 0.000 3.091 822 N HA 0.292 5.036 4.740 0.007 0.000 0.255 822 N C -1.326 174.190 175.510 0.011 0.000 1.204 822 N CA 0.012 53.150 53.050 0.146 0.000 0.990 822 N CB 1.026 39.585 38.487 0.119 0.000 1.260 822 N HN 0.530 nan 8.380 nan 0.000 0.502 823 A N 2.223 125.057 122.820 0.024 0.000 2.450 823 A HA 0.201 4.525 4.320 0.007 0.000 0.255 823 A C 0.582 178.091 177.584 -0.125 0.000 1.096 823 A CA -0.298 51.685 52.037 -0.091 0.000 0.778 823 A CB 0.187 19.132 19.000 -0.092 0.000 1.031 823 A HN 0.385 nan 8.150 nan 0.000 0.494 824 I N 3.654 124.109 120.570 -0.191 0.000 2.576 824 I HA 0.091 4.265 4.170 0.007 0.000 0.288 824 I C 0.444 176.342 176.117 -0.365 0.000 1.126 824 I CA 0.588 61.696 61.300 -0.321 0.000 1.362 824 I CB -0.208 37.602 38.000 -0.316 0.000 1.419 824 I HN 0.352 nan 8.210 nan 0.000 0.533 825 V N 6.648 126.338 119.914 -0.372 0.000 2.769 825 V HA 0.924 5.048 4.120 0.007 0.000 0.312 825 V C -0.421 175.555 176.094 -0.198 0.000 1.061 825 V CA -0.492 61.668 62.300 -0.233 0.000 0.931 825 V CB 1.963 33.712 31.823 -0.123 0.000 1.010 825 V HN 0.802 nan 8.190 nan 0.000 0.433 826 A N 6.990 129.805 122.820 -0.010 0.000 2.343 826 A HA 0.781 5.105 4.320 0.007 0.000 0.308 826 A C -0.678 177.008 177.584 0.170 0.000 1.092 826 A CA -0.706 51.437 52.037 0.175 0.000 0.751 826 A CB 1.003 20.214 19.000 0.352 0.000 1.203 826 A HN 0.851 nan 8.150 nan 0.000 0.452 827 I N 2.091 122.798 120.570 0.228 0.000 2.301 827 I HA 0.557 4.731 4.170 0.007 0.000 0.292 827 I C 0.407 176.634 176.117 0.183 0.000 1.046 827 I CA 0.121 61.536 61.300 0.192 0.000 1.282 827 I CB 0.671 38.797 38.000 0.210 0.000 1.409 827 I HN 0.747 nan 8.210 nan 0.000 0.484 828 A N 5.288 128.199 122.820 0.152 0.000 2.594 828 A HA 0.465 4.789 4.320 0.007 0.000 0.296 828 A C -1.227 176.461 177.584 0.173 0.000 1.056 828 A CA -0.461 51.673 52.037 0.162 0.000 0.693 828 A CB 1.203 20.310 19.000 0.179 0.000 1.278 828 A HN 0.673 nan 8.150 nan 0.000 0.408 829 C N 2.279 121.677 119.300 0.163 0.000 2.464 829 C HA 0.546 5.010 4.460 0.007 0.000 0.370 829 C C 0.663 175.801 174.990 0.247 0.000 1.267 829 C CA 0.313 59.439 59.018 0.180 0.000 1.781 829 C CB -1.408 26.412 27.740 0.133 0.000 2.431 829 C HN 0.849 nan 8.230 nan 0.000 0.556 830 Y N 2.336 122.707 120.300 0.118 0.000 2.661 830 Y HA 0.165 4.718 4.550 0.006 0.000 0.129 830 Y C 2.311 178.310 175.900 0.164 0.000 0.900 830 Y CA 1.114 59.292 58.100 0.130 0.000 1.715 830 Y CB -0.400 38.161 38.460 0.170 0.000 1.115 830 Y HN 0.540 nan 8.280 nan 0.000 0.353 831 S N -0.084 115.779 115.700 0.272 0.000 2.515 831 S HA 0.147 4.620 4.470 0.007 0.000 0.231 831 S C 1.498 176.245 174.600 0.245 0.000 0.987 831 S CA 0.762 59.111 58.200 0.247 0.000 0.936 831 S CB -0.527 63.052 63.200 0.632 0.000 0.766 831 S HN 1.315 nan 8.310 nan 0.000 0.528 832 G N 0.027 108.956 108.800 0.215 0.000 2.132 832 G HA2 -0.291 3.673 3.960 0.007 0.000 0.234 832 G HA3 -0.291 3.673 3.960 0.007 0.000 0.234 832 G C 0.085 174.985 174.900 -0.001 0.000 0.989 832 G CA 0.268 45.418 45.100 0.085 0.000 0.676 832 G HN 0.587 nan 8.290 nan 0.000 0.522 833 Y N 1.029 121.392 120.300 0.106 0.000 2.583 833 Y HA 0.256 4.810 4.550 0.007 0.000 0.294 833 Y C 1.492 177.410 175.900 0.030 0.000 1.170 833 Y CA 0.432 58.564 58.100 0.054 0.000 1.265 833 Y CB 0.441 38.914 38.460 0.021 0.000 1.119 833 Y HN 0.461 nan 8.280 nan 0.000 0.522 834 N N -1.060 117.734 118.700 0.157 0.000 2.497 834 N HA 0.095 4.839 4.740 0.007 0.000 0.284 834 N C -0.559 175.004 175.510 0.089 0.000 1.459 834 N CA -0.211 52.906 53.050 0.113 0.000 0.899 834 N CB -0.145 38.413 38.487 0.117 0.000 1.316 834 N HN 0.249 nan 8.380 nan 0.000 0.500 835 Q N 0.559 120.391 119.800 0.054 0.000 2.260 835 Q HA 0.232 4.576 4.340 0.007 0.000 0.238 835 Q C -0.275 175.736 176.000 0.020 0.000 0.948 835 Q CA -0.440 55.381 55.803 0.030 0.000 0.895 835 Q CB 0.828 29.556 28.738 -0.016 0.000 1.218 835 Q HN 0.167 nan 8.270 nan 0.000 0.470 836 E N 2.108 122.313 120.200 0.010 0.000 2.320 836 E HA -0.274 4.080 4.350 0.007 0.000 0.234 836 E C -0.993 175.618 176.600 0.018 0.000 1.183 836 E CA 0.951 57.352 56.400 0.002 0.000 0.713 836 E CB -1.386 28.305 29.700 -0.016 0.000 1.226 836 E HN 0.841 nan 8.360 nan 0.000 0.382 837 D N -1.596 118.828 120.400 0.039 0.000 2.907 837 D HA -0.167 4.477 4.640 0.007 0.000 0.226 837 D C 0.212 176.544 176.300 0.053 0.000 1.141 837 D CA 1.590 55.618 54.000 0.048 0.000 0.779 837 D CB -1.350 39.468 40.800 0.030 0.000 1.095 837 D HN 0.544 nan 8.370 nan 0.000 0.430 838 S N -0.671 115.062 115.700 0.055 0.000 2.766 838 S HA 0.854 5.327 4.470 0.007 0.000 0.307 838 S C 0.137 174.775 174.600 0.063 0.000 1.121 838 S CA -0.748 57.489 58.200 0.061 0.000 0.980 838 S CB 3.032 66.265 63.200 0.055 0.000 1.159 838 S HN 0.318 nan 8.310 nan 0.000 0.546 839 M N 0.018 119.645 119.600 0.045 0.000 2.578 839 M HA 0.600 5.084 4.480 0.007 0.000 0.276 839 M C -2.044 174.233 176.300 -0.038 0.000 1.245 839 M CA -0.815 54.490 55.300 0.008 0.000 0.871 839 M CB 1.472 34.057 32.600 -0.024 0.000 1.722 839 M HN 0.557 nan 8.290 nan 0.000 0.473 840 I N 2.119 122.651 120.570 -0.065 0.000 2.378 840 I HA 0.524 4.698 4.170 0.007 0.000 0.291 840 I C -0.655 175.370 176.117 -0.154 0.000 0.992 840 I CA -0.455 60.765 61.300 -0.133 0.000 1.154 840 I CB 2.047 39.982 38.000 -0.108 0.000 1.315 840 I HN 0.751 nan 8.210 nan 0.000 0.448 841 M N 5.305 124.798 119.600 -0.179 0.000 2.537 841 M HA 0.386 4.870 4.480 0.007 0.000 0.324 841 M C -0.345 175.890 176.300 -0.107 0.000 1.187 841 M CA -0.671 54.529 55.300 -0.167 0.000 0.993 841 M CB 1.579 34.059 32.600 -0.199 0.000 1.666 841 M HN 0.487 nan 8.290 nan 0.000 0.461 842 N N 2.587 121.240 118.700 -0.078 0.000 2.602 842 N HA 0.050 4.794 4.740 0.007 0.000 0.238 842 N C 0.403 175.899 175.510 -0.024 0.000 1.084 842 N CA 0.058 53.092 53.050 -0.026 0.000 0.952 842 N CB 0.748 39.221 38.487 -0.023 0.000 1.244 842 N HN 0.695 nan 8.380 nan 0.000 0.512 843 Q N 2.301 122.098 119.800 -0.006 0.000 2.142 843 Q HA -0.240 4.104 4.340 0.007 0.000 0.213 843 Q C 1.323 177.318 176.000 -0.007 0.000 1.004 843 Q CA 2.208 58.008 55.803 -0.004 0.000 0.883 843 Q CB -0.674 28.075 28.738 0.018 0.000 0.939 843 Q HN 0.613 nan 8.270 nan 0.000 0.413 844 S N -0.549 115.150 115.700 -0.000 0.000 2.359 844 S HA -0.212 4.262 4.470 0.007 0.000 0.223 844 S C 1.855 176.437 174.600 -0.030 0.000 1.039 844 S CA 1.881 60.074 58.200 -0.012 0.000 1.042 844 S CB -0.634 62.560 63.200 -0.010 0.000 0.915 844 S HN 0.769 nan 8.310 nan 0.000 0.439 845 S N 0.825 116.502 115.700 -0.039 0.000 2.474 845 S HA 0.069 4.543 4.470 0.007 0.000 0.235 845 S C 1.709 176.267 174.600 -0.070 0.000 0.997 845 S CA 0.611 58.773 58.200 -0.064 0.000 0.949 845 S CB -0.621 62.531 63.200 -0.080 0.000 0.766 845 S HN 0.505 nan 8.310 nan 0.000 0.517 846 I N 2.239 122.779 120.570 -0.050 0.000 2.286 846 I HA -0.157 4.017 4.170 0.007 0.000 0.248 846 I C 1.798 177.893 176.117 -0.037 0.000 1.115 846 I CA 1.400 62.678 61.300 -0.037 0.000 1.392 846 I CB -0.393 37.597 38.000 -0.018 0.000 1.065 846 I HN 0.221 nan 8.210 nan 0.000 0.418 847 D N 0.706 121.087 120.400 -0.032 0.000 2.218 847 D HA -0.137 4.506 4.640 0.007 0.000 0.204 847 D C 2.027 178.308 176.300 -0.031 0.000 0.976 847 D CA 1.030 55.014 54.000 -0.026 0.000 0.853 847 D CB -0.219 40.570 40.800 -0.020 0.000 0.939 847 D HN 0.314 nan 8.370 nan 0.000 0.481 848 R N -0.814 119.655 120.500 -0.052 0.000 2.317 848 R HA 0.246 4.590 4.340 0.007 0.000 0.208 848 R C 1.116 177.356 176.300 -0.100 0.000 0.914 848 R CA 0.537 56.594 56.100 -0.072 0.000 1.060 848 R CB 0.715 30.960 30.300 -0.090 0.000 1.015 848 R HN 0.227 nan 8.270 nan 0.000 0.498 849 G N 0.478 109.238 108.800 -0.066 0.000 2.421 849 G HA2 -0.207 3.757 3.960 0.007 0.000 0.188 849 G HA3 -0.207 3.757 3.960 0.007 0.000 0.188 849 G C -0.190 174.695 174.900 -0.026 0.000 1.001 849 G CA -0.683 44.406 45.100 -0.018 0.000 0.693 849 G HN 0.149 nan 8.290 nan 0.000 0.479 850 L N 2.110 123.273 121.223 -0.099 0.000 2.601 850 L HA 0.503 4.847 4.340 0.007 0.000 0.277 850 L C 0.897 177.751 176.870 -0.028 0.000 1.219 850 L CA 0.743 55.474 54.840 -0.182 0.000 0.915 850 L CB -0.882 41.045 42.059 -0.220 0.000 1.160 850 L HN 0.516 nan 8.230 nan 0.000 0.494 851 F N 3.707 123.698 119.950 0.069 0.000 2.866 851 F HA -0.288 4.242 4.527 0.006 0.000 0.254 851 F C 0.860 176.693 175.800 0.055 0.000 1.009 851 F CA 0.304 58.373 58.000 0.116 0.000 0.907 851 F CB -0.805 38.344 39.000 0.249 0.000 0.859 851 F HN 0.578 nan 8.300 nan 0.000 0.842 852 R N 0.695 121.256 120.500 0.101 0.000 2.540 852 R HA 0.712 5.056 4.340 0.007 0.000 0.287 852 R C 0.039 176.305 176.300 -0.057 0.000 0.980 852 R CA -0.149 55.856 56.100 -0.158 0.000 0.966 852 R CB 2.072 31.932 30.300 -0.734 0.000 1.106 852 R HN 0.268 nan 8.270 nan 0.000 0.480 853 S N 1.777 117.461 115.700 -0.027 0.000 2.570 853 S HA 0.490 4.964 4.470 0.007 0.000 0.286 853 S C -0.329 174.401 174.600 0.217 0.000 1.099 853 S CA -1.002 57.287 58.200 0.148 0.000 0.913 853 S CB 1.266 64.527 63.200 0.100 0.000 1.085 853 S HN 0.375 nan 8.310 nan 0.000 0.480 854 L N 2.076 123.450 121.223 0.252 0.000 2.397 854 L HA 0.532 4.876 4.340 0.007 0.000 0.271 854 L C -0.671 176.260 176.870 0.103 0.000 1.148 854 L CA -0.458 54.443 54.840 0.102 0.000 0.825 854 L CB 0.414 42.494 42.059 0.036 0.000 1.117 854 L HN 0.735 nan 8.230 nan 0.000 0.456 855 F N 3.062 122.892 119.950 -0.200 0.000 2.529 855 F HA 0.592 5.122 4.527 0.005 0.000 0.320 855 F C -1.222 174.428 175.800 -0.250 0.000 1.118 855 F CA -0.819 57.116 58.000 -0.109 0.000 0.915 855 F CB 1.255 40.215 39.000 -0.065 0.000 1.161 855 F HN 0.085 nan 8.300 nan 0.000 0.445 856 F N 5.524 124.994 119.950 -0.800 0.000 2.529 856 F HA 0.580 5.112 4.527 0.008 0.000 0.320 856 F C -0.359 174.984 175.800 -0.763 0.000 1.118 856 F CA -0.728 56.951 58.000 -0.535 0.000 0.915 856 F CB 2.014 40.859 39.000 -0.258 0.000 1.161 856 F HN 0.431 nan 8.300 nan 0.000 0.445 857 R N 1.664 121.987 120.500 -0.295 0.000 2.621 857 R HA 0.657 5.001 4.340 0.007 0.000 0.292 857 R C -1.442 174.766 176.300 -0.154 0.000 0.969 857 R CA -0.449 55.473 56.100 -0.297 0.000 0.887 857 R CB 1.854 31.998 30.300 -0.260 0.000 1.180 857 R HN 0.651 nan 8.270 nan 0.000 0.450 858 S N 3.346 118.930 115.700 -0.193 0.000 2.433 858 S HA 0.388 4.862 4.470 0.007 0.000 0.310 858 S C -1.425 173.084 174.600 -0.152 0.000 1.097 858 S CA -0.395 57.752 58.200 -0.089 0.000 1.103 858 S CB 0.467 63.629 63.200 -0.062 0.000 0.992 858 S HN 0.377 nan 8.310 nan 0.000 0.469 859 Y N 2.683 122.963 120.300 -0.033 0.000 2.330 859 Y HA 0.541 5.096 4.550 0.009 0.000 0.336 859 Y C 0.409 176.277 175.900 -0.054 0.000 1.036 859 Y CA -0.695 57.388 58.100 -0.029 0.000 1.125 859 Y CB 0.830 39.275 38.460 -0.024 0.000 1.194 859 Y HN 0.407 nan 8.280 nan 0.000 0.469 860 M N 2.775 122.438 119.600 0.104 0.000 2.664 860 M HA 0.512 4.996 4.480 0.007 0.000 0.314 860 M C -1.800 174.550 176.300 0.083 0.000 1.200 860 M CA -0.234 55.080 55.300 0.023 0.000 0.916 860 M CB 2.377 34.981 32.600 0.006 0.000 1.717 860 M HN 0.833 nan 8.290 nan 0.000 0.470 861 D N 0.853 121.305 120.400 0.087 0.000 2.725 861 D HA 0.437 5.081 4.640 0.007 0.000 0.292 861 D C -2.115 174.426 176.300 0.402 0.000 1.288 861 D CA -0.022 54.121 54.000 0.238 0.000 0.784 861 D CB 1.926 42.892 40.800 0.277 0.000 1.308 861 D HN 0.657 nan 8.370 nan 0.000 0.429 862 Q N 0.442 120.512 119.800 0.449 0.000 2.503 862 Q HA 0.262 4.606 4.340 0.007 0.000 0.268 862 Q C -1.704 174.334 176.000 0.063 0.000 0.982 862 Q CA -0.493 55.532 55.803 0.370 0.000 0.907 862 Q CB 1.414 30.341 28.738 0.316 0.000 1.467 862 Q HN 0.310 nan 8.270 nan 0.000 0.394 863 E N 3.249 123.403 120.200 -0.076 0.000 2.194 863 E HA 0.257 4.611 4.350 0.007 0.000 0.284 863 E C -0.763 175.776 176.600 -0.102 0.000 1.035 863 E CA -0.227 56.029 56.400 -0.239 0.000 0.836 863 E CB 1.043 30.573 29.700 -0.284 0.000 1.070 863 E HN 0.651 nan 8.360 nan 0.000 0.401 864 K N 2.588 122.934 120.400 -0.090 0.000 0.975 864 K HA -0.278 4.045 4.320 0.007 0.000 0.771 864 K C -1.431 175.149 176.600 -0.033 0.000 2.087 864 K CA 1.057 57.311 56.287 -0.055 0.000 1.461 864 K CB -0.052 32.407 32.500 -0.067 0.000 2.591 864 K HN 0.482 nan 8.250 nan 0.000 0.353 865 K N -0.433 119.956 120.400 -0.018 0.000 2.615 865 K HA 0.291 4.615 4.320 0.007 0.000 0.291 865 K C -1.033 175.588 176.600 0.035 0.000 1.017 865 K CA -0.680 55.600 56.287 -0.011 0.000 0.882 865 K CB 0.723 33.252 32.500 0.049 0.000 1.522 865 K HN 0.452 nan 8.250 nan 0.000 0.412 866 Y N 0.315 120.614 120.300 -0.001 0.000 3.354 866 Y HA -0.150 4.404 4.550 0.007 0.000 0.376 866 Y C 0.854 176.753 175.900 -0.002 0.000 1.135 866 Y CA 2.292 60.391 58.100 -0.001 0.000 1.500 866 Y CB 0.107 38.567 38.460 0.001 0.000 1.023 866 Y HN 0.737 nan 8.280 nan 0.000 0.613 867 G N 2.942 111.872 108.800 0.216 0.000 3.069 867 G HA2 -0.010 3.954 3.960 0.007 0.000 0.686 867 G HA3 -0.010 3.954 3.960 0.007 0.000 0.686 867 G C -0.220 174.705 174.900 0.043 0.000 1.161 867 G CA -0.447 44.718 45.100 0.110 0.000 0.804 867 G HN 0.541 nan 8.290 nan 0.000 0.608 868 M N 1.391 121.014 119.600 0.040 0.000 2.476 868 M HA 0.166 4.650 4.480 0.007 0.000 0.262 868 M C 1.877 178.178 176.300 0.000 0.000 1.079 868 M CA 1.767 57.073 55.300 0.011 0.000 1.104 868 M CB 0.092 32.704 32.600 0.020 0.000 1.409 868 M HN 1.161 nan 8.290 nan 0.000 0.467 869 S N -0.655 115.049 115.700 0.007 0.000 2.204 869 S HA 0.643 5.117 4.470 0.007 0.000 0.178 869 S C -0.341 174.259 174.600 -0.000 0.000 1.493 869 S CA -0.780 57.421 58.200 0.001 0.000 1.266 869 S CB -0.145 63.058 63.200 0.005 0.000 1.232 869 S HN 0.092 nan 8.310 nan 0.000 0.406 870 I N 0.869 121.435 120.570 -0.007 0.000 2.685 870 I HA 0.449 4.622 4.170 0.007 0.000 0.289 870 I C -1.129 174.972 176.117 -0.026 0.000 1.292 870 I CA -0.092 61.202 61.300 -0.010 0.000 1.050 870 I CB 2.564 40.565 38.000 0.003 0.000 1.301 870 I HN 0.329 nan 8.210 nan 0.000 0.425 871 T N 3.374 117.907 114.554 -0.035 0.000 3.755 871 T HA 0.234 4.588 4.350 0.007 0.000 0.327 871 T C -0.686 173.969 174.700 -0.074 0.000 0.801 871 T CA -0.858 61.208 62.100 -0.056 0.000 1.026 871 T CB 0.655 69.492 68.868 -0.052 0.000 1.040 871 T HN 0.462 nan 8.240 nan 0.000 0.470 872 E N 2.321 122.464 120.200 -0.096 0.000 2.608 872 E HA 0.158 4.512 4.350 0.007 0.000 0.259 872 E C 0.118 176.595 176.600 -0.206 0.000 0.951 872 E CA 0.453 56.771 56.400 -0.136 0.000 0.945 872 E CB 0.398 30.001 29.700 -0.162 0.000 0.916 872 E HN 0.437 nan 8.360 nan 0.000 0.477 873 T N 2.961 117.416 114.554 -0.166 0.000 2.925 873 T HA 0.354 4.708 4.350 0.007 0.000 0.285 873 T C -0.200 174.401 174.700 -0.166 0.000 1.021 873 T CA -0.594 61.419 62.100 -0.146 0.000 1.042 873 T CB 0.504 69.351 68.868 -0.035 0.000 1.037 873 T HN 0.229 nan 8.240 nan 0.000 0.481 874 F N 2.677 122.647 119.950 0.034 0.000 2.404 874 F HA 0.412 4.943 4.527 0.006 0.000 0.358 874 F C 1.073 176.893 175.800 0.033 0.000 1.120 874 F CA -0.494 57.527 58.000 0.035 0.000 1.144 874 F CB 0.640 39.660 39.000 0.034 0.000 1.133 874 F HN 0.649 nan 8.300 nan 0.000 0.495 875 E N 1.826 122.169 120.200 0.239 0.000 2.437 875 E HA 0.287 4.641 4.350 0.007 0.000 0.280 875 E C -1.709 174.973 176.600 0.135 0.000 1.044 875 E CA -1.392 55.093 56.400 0.143 0.000 0.826 875 E CB 1.619 31.373 29.700 0.090 0.000 1.358 875 E HN 0.326 nan 8.360 nan 0.000 0.459 876 K N 1.954 122.413 120.400 0.099 0.000 2.267 876 K HA 0.297 4.621 4.320 0.007 0.000 0.282 876 K C -2.139 174.490 176.600 0.047 0.000 1.078 876 K CA -1.814 54.536 56.287 0.105 0.000 0.903 876 K CB 0.603 33.154 32.500 0.086 0.000 1.111 876 K HN 0.334 nan 8.250 nan 0.000 0.475 877 P HA 0.066 nan 4.420 nan 0.000 0.277 877 P C -1.584 175.608 177.300 -0.179 0.000 1.240 877 P CA -0.379 62.669 63.100 -0.087 0.000 0.798 877 P CB 0.899 32.526 31.700 -0.120 0.000 0.979 878 Q N 0.768 120.487 119.800 -0.135 0.000 2.325 878 Q HA 0.355 4.699 4.340 0.007 0.000 0.270 878 Q C 1.187 177.111 176.000 -0.127 0.000 1.020 878 Q CA -1.069 54.654 55.803 -0.132 0.000 0.785 878 Q CB 2.489 31.186 28.738 -0.068 0.000 1.259 878 Q HN 0.305 nan 8.270 nan 0.000 0.452 879 R N 2.107 122.519 120.500 -0.147 0.000 2.344 879 R HA -0.269 4.075 4.340 0.007 0.000 0.216 879 R C 0.047 176.308 176.300 -0.064 0.000 1.089 879 R CA 2.385 58.425 56.100 -0.099 0.000 0.804 879 R CB -1.455 28.803 30.300 -0.069 0.000 0.929 879 R HN 0.822 nan 8.270 nan 0.000 0.393 880 T N 2.266 116.792 114.554 -0.045 0.000 2.362 880 T HA -0.201 4.153 4.350 0.007 0.000 0.205 880 T C -0.285 174.397 174.700 -0.030 0.000 1.130 880 T CA 1.236 63.317 62.100 -0.031 0.000 3.526 880 T CB -1.386 67.466 68.868 -0.027 0.000 0.713 880 T HN 0.601 nan 8.240 nan 0.000 0.265 881 N N 3.554 122.240 118.700 -0.024 0.000 2.931 881 N HA -0.160 4.584 4.740 0.007 0.000 0.311 881 N C 0.932 176.425 175.510 -0.029 0.000 1.118 881 N CA 1.383 54.419 53.050 -0.022 0.000 0.785 881 N CB 0.184 38.663 38.487 -0.014 0.000 1.002 881 N HN 0.594 nan 8.380 nan 0.000 0.603 882 T N 1.034 115.565 114.554 -0.039 0.000 2.978 882 T HA 0.132 4.486 4.350 0.007 0.000 0.248 882 T C 0.086 174.769 174.700 -0.029 0.000 1.018 882 T CA 0.272 62.346 62.100 -0.043 0.000 1.026 882 T CB 0.214 69.036 68.868 -0.076 0.000 1.032 882 T HN 0.423 nan 8.240 nan 0.000 0.485 883 L N 0.053 121.263 121.223 -0.023 0.000 2.529 883 L HA 0.643 4.986 4.340 0.007 0.000 0.246 883 L C -0.312 176.551 176.870 -0.012 0.000 1.394 883 L CA -0.484 54.339 54.840 -0.028 0.000 0.906 883 L CB 0.407 42.451 42.059 -0.025 0.000 1.170 883 L HN -0.220 nan 8.230 nan 0.000 0.501 884 R N 2.363 122.858 120.500 -0.009 0.000 2.738 884 R HA 0.491 4.835 4.340 0.007 0.000 0.280 884 R C -0.483 175.824 176.300 0.013 0.000 1.456 884 R CA -0.412 55.691 56.100 0.005 0.000 1.612 884 R CB 0.736 31.041 30.300 0.009 0.000 1.286 884 R HN 0.493 nan 8.270 nan 0.000 0.660 885 M N 0.526 120.129 119.600 0.005 0.000 2.114 885 M HA 0.236 4.720 4.480 0.007 0.000 0.293 885 M C 0.669 177.021 176.300 0.087 0.000 1.201 885 M CA -0.144 55.181 55.300 0.043 0.000 1.107 885 M CB 0.320 32.872 32.600 -0.080 0.000 1.405 885 M HN -0.158 nan 8.290 nan 0.000 0.486 886 K N 0.175 120.701 120.400 0.210 0.000 2.273 886 K HA 0.152 4.476 4.320 0.007 0.000 0.240 886 K C 1.299 177.914 176.600 0.026 0.000 1.056 886 K CA 0.229 56.519 56.287 0.004 0.000 0.910 886 K CB 0.094 32.575 32.500 -0.032 0.000 1.196 886 K HN 0.532 nan 8.250 nan 0.000 0.509 887 H N -1.069 118.055 119.070 0.091 0.000 2.372 887 H HA 0.137 4.696 4.556 0.005 0.000 0.301 887 H C 1.027 176.402 175.328 0.078 0.000 1.065 887 H CA 0.450 56.541 56.048 0.072 0.000 1.364 887 H CB -0.119 29.668 29.762 0.042 0.000 1.406 887 H HN 0.586 nan 8.280 nan 0.000 0.521 888 G N 0.774 109.658 108.800 0.140 0.000 2.716 888 G HA2 0.205 4.168 3.960 0.007 0.000 0.251 888 G HA3 0.205 4.168 3.960 0.007 0.000 0.251 888 G C 0.084 175.042 174.900 0.096 0.000 1.224 888 G CA -0.033 45.109 45.100 0.069 0.000 0.891 888 G HN 0.357 nan 8.290 nan 0.000 0.561 889 T N -2.354 112.238 114.554 0.064 0.000 2.875 889 T HA 0.330 4.684 4.350 0.007 0.000 0.284 889 T C 0.264 175.018 174.700 0.090 0.000 0.995 889 T CA -0.562 61.623 62.100 0.141 0.000 1.060 889 T CB 1.304 70.233 68.868 0.101 0.000 0.967 889 T HN 0.355 nan 8.240 nan 0.000 0.476 890 Y N 0.051 120.351 120.300 -0.000 0.000 2.490 890 Y HA 0.146 4.697 4.550 0.002 0.000 0.281 890 Y C 1.973 177.870 175.900 -0.005 0.000 1.174 890 Y CA -0.563 57.534 58.100 -0.005 0.000 1.295 890 Y CB -0.370 38.091 38.460 0.001 0.000 1.062 890 Y HN 0.698 nan 8.280 nan 0.000 0.522 891 D N 0.361 120.843 120.400 0.137 0.000 2.357 891 D HA -0.170 4.474 4.640 0.007 0.000 0.216 891 D C 1.422 177.749 176.300 0.045 0.000 0.973 891 D CA 1.210 55.257 54.000 0.078 0.000 0.912 891 D CB 0.158 40.992 40.800 0.056 0.000 0.900 891 D HN 0.390 nan 8.370 nan 0.000 0.501 892 K N -0.444 119.972 120.400 0.027 0.000 2.367 892 K HA 0.139 4.463 4.320 0.007 0.000 0.194 892 K C 0.417 177.014 176.600 -0.005 0.000 1.027 892 K CA -0.111 56.175 56.287 -0.000 0.000 1.075 892 K CB 0.579 33.063 32.500 -0.025 0.000 0.845 892 K HN 0.030 nan 8.250 nan 0.000 0.529 893 L N 1.998 123.229 121.223 0.012 0.000 2.350 893 L HA 0.133 4.477 4.340 0.007 0.000 0.275 893 L C 0.378 177.260 176.870 0.020 0.000 1.099 893 L CA -0.620 54.225 54.840 0.008 0.000 0.808 893 L CB 0.658 42.739 42.059 0.036 0.000 1.149 893 L HN 0.073 nan 8.230 nan 0.000 0.442 894 D N 0.872 121.277 120.400 0.007 0.000 2.440 894 D HA 0.025 4.669 4.640 0.007 0.000 0.269 894 D C 0.168 176.482 176.300 0.024 0.000 1.249 894 D CA -0.558 53.450 54.000 0.013 0.000 1.055 894 D CB 0.622 41.424 40.800 0.005 0.000 1.104 894 D HN 0.466 nan 8.370 nan 0.000 0.561 895 D N 0.062 120.477 120.400 0.024 0.000 2.221 895 D HA -0.144 4.500 4.640 0.007 0.000 0.204 895 D C 1.276 177.602 176.300 0.043 0.000 0.982 895 D CA 0.995 55.014 54.000 0.033 0.000 0.857 895 D CB -0.295 40.521 40.800 0.026 0.000 0.934 895 D HN 0.464 nan 8.370 nan 0.000 0.475 896 D N -0.717 119.703 120.400 0.033 0.000 2.363 896 D HA 0.052 4.696 4.640 0.007 0.000 0.226 896 D C 1.489 177.817 176.300 0.047 0.000 1.020 896 D CA 0.793 54.818 54.000 0.042 0.000 0.892 896 D CB -0.385 40.424 40.800 0.014 0.000 0.900 896 D HN 0.205 nan 8.370 nan 0.000 0.531 897 G N -0.129 108.701 108.800 0.048 0.000 2.162 897 G HA2 -0.257 3.707 3.960 0.007 0.000 0.260 897 G HA3 -0.257 3.707 3.960 0.007 0.000 0.260 897 G C -0.031 174.856 174.900 -0.022 0.000 0.976 897 G CA 0.477 45.614 45.100 0.062 0.000 0.655 897 G HN 0.434 nan 8.290 nan 0.000 0.533 898 L N 0.369 121.556 121.223 -0.060 0.000 2.342 898 L HA 0.620 4.964 4.340 0.007 0.000 0.271 898 L C 1.189 178.018 176.870 -0.068 0.000 1.008 898 L CA -1.418 53.361 54.840 -0.103 0.000 0.818 898 L CB 1.566 43.538 42.059 -0.144 0.000 1.296 898 L HN -0.025 nan 8.230 nan 0.000 0.427 899 I N 1.206 121.729 120.570 -0.078 0.000 3.060 899 I HA 0.197 4.371 4.170 0.007 0.000 0.285 899 I C 0.610 176.698 176.117 -0.048 0.000 1.190 899 I CA -0.096 61.169 61.300 -0.059 0.000 1.363 899 I CB 1.086 39.044 38.000 -0.069 0.000 1.396 899 I HN 0.647 nan 8.210 nan 0.000 0.607 900 A N 4.760 127.560 122.820 -0.033 0.000 2.312 900 A HA 0.495 4.819 4.320 0.007 0.000 0.328 900 A C -1.825 175.748 177.584 -0.019 0.000 1.158 900 A CA -1.557 50.465 52.037 -0.025 0.000 0.821 900 A CB 0.804 19.794 19.000 -0.017 0.000 1.170 900 A HN 0.474 nan 8.150 nan 0.000 0.490 901 P HA -0.206 nan 4.420 nan 0.000 0.218 901 P C 1.707 179.008 177.300 0.001 0.000 1.150 901 P CA 2.218 65.316 63.100 -0.002 0.000 0.841 901 P CB 0.182 31.883 31.700 0.002 0.000 0.784 902 G N -0.611 108.187 108.800 -0.002 0.000 2.440 902 G HA2 -0.182 3.782 3.960 0.007 0.000 0.218 902 G HA3 -0.182 3.782 3.960 0.007 0.000 0.218 902 G C 0.497 175.396 174.900 -0.002 0.000 1.154 902 G CA 0.463 45.562 45.100 -0.000 0.000 0.767 902 G HN 0.201 nan 8.290 nan 0.000 0.552 903 V N 1.018 120.928 119.914 -0.007 0.000 2.811 903 V HA 0.229 4.353 4.120 0.007 0.000 0.302 903 V C 0.704 176.792 176.094 -0.009 0.000 1.063 903 V CA -0.540 61.754 62.300 -0.009 0.000 1.088 903 V CB 1.159 32.973 31.823 -0.015 0.000 0.982 903 V HN 0.235 nan 8.190 nan 0.000 0.485 904 R N 2.120 122.616 120.500 -0.007 0.000 2.441 904 R HA 0.592 4.936 4.340 0.007 0.000 0.284 904 R C -0.659 175.633 176.300 -0.012 0.000 1.070 904 R CA -0.236 55.861 56.100 -0.005 0.000 1.047 904 R CB 1.531 31.830 30.300 -0.002 0.000 1.016 904 R HN 0.720 nan 8.270 nan 0.000 0.477 905 V N -0.888 119.019 119.914 -0.012 0.000 2.841 905 V HA 0.733 4.857 4.120 0.007 0.000 0.310 905 V C -0.218 175.869 176.094 -0.011 0.000 1.090 905 V CA -0.654 61.632 62.300 -0.024 0.000 0.930 905 V CB 2.005 33.799 31.823 -0.048 0.000 1.014 905 V HN 0.978 nan 8.190 nan 0.000 0.425 906 S N 2.118 117.810 115.700 -0.014 0.000 3.629 906 S HA 0.952 5.426 4.470 0.007 0.000 0.319 906 S C 1.021 175.619 174.600 -0.004 0.000 1.149 906 S CA 0.147 58.347 58.200 -0.000 0.000 1.099 906 S CB 0.512 63.715 63.200 0.004 0.000 1.433 906 S HN 2.587 nan 8.310 nan 0.000 0.736 907 G N 1.429 110.233 108.800 0.006 0.000 2.616 907 G HA2 -0.288 3.676 3.960 0.007 0.000 0.361 907 G HA3 -0.288 3.676 3.960 0.007 0.000 0.361 907 G C -0.209 174.696 174.900 0.008 0.000 1.361 907 G CA 0.930 46.037 45.100 0.011 0.000 0.969 907 G HN 0.924 nan 8.290 nan 0.000 0.528 908 E N 1.232 121.437 120.200 0.008 0.000 2.830 908 E HA 0.291 4.645 4.350 0.007 0.000 0.225 908 E C -0.865 175.702 176.600 -0.054 0.000 1.109 908 E CA -0.392 56.004 56.400 -0.007 0.000 1.392 908 E CB 0.211 29.932 29.700 0.035 0.000 1.349 908 E HN 0.392 nan 8.360 nan 0.000 0.433 909 D N 0.586 120.940 120.400 -0.075 0.000 2.399 909 D HA 0.017 4.661 4.640 0.007 0.000 0.241 909 D C -0.089 176.090 176.300 -0.202 0.000 1.133 909 D CA -0.066 53.865 54.000 -0.116 0.000 0.890 909 D CB 1.269 42.014 40.800 -0.091 0.000 1.201 909 D HN -0.080 nan 8.370 nan 0.000 0.432 910 V N 3.666 123.403 119.914 -0.295 0.000 2.405 910 V HA 0.065 4.189 4.120 0.007 0.000 0.264 910 V C 1.521 177.446 176.094 -0.282 0.000 1.048 910 V CA -0.035 62.023 62.300 -0.404 0.000 0.966 910 V CB 0.546 31.863 31.823 -0.843 0.000 1.015 910 V HN 0.522 nan 8.190 nan 0.000 0.477 911 I N 4.726 125.132 120.570 -0.272 0.000 2.406 911 I HA 0.077 4.251 4.170 0.007 0.000 0.249 911 I C 0.478 176.478 176.117 -0.194 0.000 1.122 911 I CA 1.403 62.552 61.300 -0.252 0.000 1.431 911 I CB 0.338 38.104 38.000 -0.390 0.000 1.087 911 I HN 0.443 nan 8.210 nan 0.000 0.424 912 I N -0.047 120.423 120.570 -0.168 0.000 2.534 912 I HA 0.361 4.535 4.170 0.007 0.000 0.288 912 I C -0.077 176.038 176.117 -0.004 0.000 1.077 912 I CA -0.456 60.788 61.300 -0.094 0.000 1.051 912 I CB 1.929 39.888 38.000 -0.068 0.000 1.234 912 I HN -0.125 nan 8.210 nan 0.000 0.425 913 G N 4.938 113.786 108.800 0.081 0.000 2.368 913 G HA2 0.658 4.622 3.960 0.007 0.000 0.320 913 G HA3 0.658 4.622 3.960 0.007 0.000 0.320 913 G C -1.118 173.950 174.900 0.281 0.000 1.158 913 G CA -0.405 44.811 45.100 0.193 0.000 0.912 913 G HN 0.552 nan 8.290 nan 0.000 0.456 914 K N 1.241 121.786 120.400 0.243 0.000 2.550 914 K HA 0.545 4.869 4.320 0.007 0.000 0.252 914 K C -0.787 175.867 176.600 0.090 0.000 0.943 914 K CA -0.616 55.781 56.287 0.182 0.000 0.806 914 K CB 1.887 34.492 32.500 0.176 0.000 1.289 914 K HN 0.627 nan 8.250 nan 0.000 0.435 915 T N -0.521 114.054 114.554 0.035 0.000 2.885 915 T HA 0.352 4.705 4.350 0.007 0.000 0.285 915 T C -0.295 174.394 174.700 -0.017 0.000 1.019 915 T CA -0.734 61.377 62.100 0.018 0.000 1.010 915 T CB 1.747 70.622 68.868 0.013 0.000 1.022 915 T HN 0.404 nan 8.240 nan 0.000 0.466 916 T N 3.146 117.693 114.554 -0.011 0.000 2.771 916 T HA 0.564 4.918 4.350 0.007 0.000 0.281 916 T C -2.849 171.843 174.700 -0.013 0.000 0.982 916 T CA -2.180 59.908 62.100 -0.021 0.000 0.978 916 T CB 0.661 69.521 68.868 -0.013 0.000 0.930 916 T HN 0.468 nan 8.240 nan 0.000 0.447 917 P HA 0.414 nan 4.420 nan 0.000 0.284 917 P C -0.913 176.383 177.300 -0.007 0.000 1.432 917 P CA -0.527 62.566 63.100 -0.011 0.000 0.929 917 P CB 0.102 31.794 31.700 -0.014 0.000 1.158 918 I N 1.838 122.407 120.570 -0.003 0.000 2.382 918 I HA 0.276 4.450 4.170 0.007 0.000 0.286 918 I C 0.963 177.081 176.117 0.001 0.000 1.002 918 I CA -0.523 60.778 61.300 0.000 0.000 1.135 918 I CB 1.566 39.568 38.000 0.003 0.000 1.288 918 I HN 0.242 nan 8.210 nan 0.000 0.448 934 K N 0.156 120.551 120.400 -0.009 0.000 2.409 934 K HA 0.772 5.096 4.320 0.007 0.000 0.252 934 K C -1.313 175.284 176.600 -0.005 0.000 1.036 934 K CA -0.781 55.501 56.287 -0.008 0.000 0.871 934 K CB 1.937 34.431 32.500 -0.010 0.000 1.374 934 K HN 0.358 nan 8.250 nan 0.000 0.459 935 R N 0.651 121.150 120.500 -0.001 0.000 2.686 935 R HA 0.183 4.527 4.340 0.007 0.000 0.286 935 R C -1.368 174.940 176.300 0.013 0.000 0.969 935 R CA -0.658 55.445 56.100 0.005 0.000 0.898 935 R CB 1.683 31.987 30.300 0.007 0.000 1.183 935 R HN 0.658 nan 8.270 nan 0.000 0.456 936 D N 0.874 121.286 120.400 0.021 0.000 2.357 936 D HA 0.371 5.015 4.640 0.007 0.000 0.242 936 D C -0.366 175.968 176.300 0.057 0.000 1.153 936 D CA 0.156 54.186 54.000 0.050 0.000 0.918 936 D CB 1.132 41.975 40.800 0.072 0.000 1.181 936 D HN 0.551 nan 8.370 nan 0.000 0.435 937 A N 1.528 124.396 122.820 0.080 0.000 2.639 937 A HA 0.262 4.586 4.320 0.007 0.000 0.221 937 A C -0.167 177.470 177.584 0.088 0.000 0.879 937 A CA -0.487 51.590 52.037 0.066 0.000 1.189 937 A CB -0.111 18.915 19.000 0.044 0.000 1.231 937 A HN 0.337 nan 8.150 nan 0.000 0.457 938 S N 0.684 116.446 115.700 0.103 0.000 2.617 938 S HA 0.570 5.044 4.470 0.007 0.000 0.269 938 S C 0.212 174.815 174.600 0.006 0.000 1.292 938 S CA 0.087 58.333 58.200 0.076 0.000 1.010 938 S CB 0.969 64.225 63.200 0.093 0.000 0.944 938 S HN 0.434 nan 8.310 nan 0.000 0.536 939 T N 3.834 118.364 114.554 -0.040 0.000 2.912 939 T HA 0.444 4.798 4.350 0.007 0.000 0.326 939 T C -2.760 171.855 174.700 -0.142 0.000 1.080 939 T CA -1.306 60.765 62.100 -0.047 0.000 1.000 939 T CB 1.167 70.032 68.868 -0.005 0.000 1.008 939 T HN 0.255 nan 8.240 nan 0.000 0.473 940 P HA 0.195 nan 4.420 nan 0.000 0.281 940 P C -0.078 177.115 177.300 -0.180 0.000 1.249 940 P CA -0.983 62.019 63.100 -0.164 0.000 0.810 940 P CB 0.604 32.243 31.700 -0.102 0.000 1.008 941 L N 3.870 124.957 121.223 -0.228 0.000 2.584 941 L HA 0.006 4.350 4.340 0.007 0.000 0.272 941 L C 0.635 177.508 176.870 0.006 0.000 1.195 941 L CA 0.516 55.240 54.840 -0.193 0.000 0.920 941 L CB -0.493 41.482 42.059 -0.141 0.000 1.173 941 L HN 0.489 nan 8.230 nan 0.000 0.489 942 R N 3.812 124.411 120.500 0.166 0.000 2.870 942 R HA -0.148 4.196 4.340 0.007 0.000 0.283 942 R C 1.609 177.962 176.300 0.088 0.000 0.805 942 R CA 0.672 56.868 56.100 0.160 0.000 1.110 942 R CB -0.005 30.424 30.300 0.215 0.000 0.900 942 R HN 0.822 nan 8.270 nan 0.000 0.406 943 S N 2.088 117.827 115.700 0.065 0.000 2.409 943 S HA -0.271 4.203 4.470 0.007 0.000 0.237 943 S C 1.674 176.304 174.600 0.050 0.000 1.060 943 S CA 2.359 60.592 58.200 0.054 0.000 1.052 943 S CB -0.360 62.875 63.200 0.059 0.000 0.871 943 S HN 0.791 nan 8.310 nan 0.000 0.465 944 T N -0.367 114.216 114.554 0.049 0.000 3.040 944 T HA 0.233 4.587 4.350 0.007 0.000 0.252 944 T C 0.588 175.304 174.700 0.026 0.000 1.064 944 T CA -0.038 62.083 62.100 0.036 0.000 1.110 944 T CB -0.142 68.743 68.868 0.027 0.000 0.921 944 T HN 0.431 nan 8.240 nan 0.000 0.480 945 E N 2.603 122.830 120.200 0.045 0.000 2.371 945 E HA 0.417 4.771 4.350 0.007 0.000 0.257 945 E C -0.060 176.575 176.600 0.059 0.000 1.134 945 E CA -0.471 55.961 56.400 0.054 0.000 0.919 945 E CB 0.453 30.224 29.700 0.119 0.000 1.025 945 E HN 0.509 nan 8.360 nan 0.000 0.438 946 N N -0.334 118.400 118.700 0.057 0.000 3.039 946 N HA 0.646 5.390 4.740 0.007 0.000 0.257 946 N C -0.472 175.074 175.510 0.061 0.000 1.497 946 N CA -0.212 52.868 53.050 0.050 0.000 0.861 946 N CB 1.366 39.868 38.487 0.025 0.000 1.479 946 N HN 0.591 nan 8.380 nan 0.000 0.547 947 G N -0.732 108.093 108.800 0.042 0.000 2.398 947 G HA2 0.370 4.334 3.960 0.007 0.000 0.251 947 G HA3 0.370 4.334 3.960 0.007 0.000 0.251 947 G C -2.004 172.907 174.900 0.018 0.000 1.277 947 G CA -0.515 44.607 45.100 0.037 0.000 0.927 947 G HN 0.638 nan 8.290 nan 0.000 0.477 948 I N 0.401 120.977 120.570 0.010 0.000 2.569 948 I HA 0.467 4.641 4.170 0.007 0.000 0.290 948 I C 0.369 176.491 176.117 0.008 0.000 1.088 948 I CA -0.995 60.307 61.300 0.003 0.000 1.047 948 I CB 2.291 40.289 38.000 -0.002 0.000 1.237 948 I HN 0.395 nan 8.210 nan 0.000 0.421 949 V N 4.647 124.565 119.914 0.006 0.000 2.999 949 V HA 0.006 4.130 4.120 0.007 0.000 0.307 949 V C 0.612 176.723 176.094 0.028 0.000 1.084 949 V CA 0.565 62.873 62.300 0.013 0.000 1.155 949 V CB 0.958 32.775 31.823 -0.010 0.000 0.975 949 V HN 0.971 nan 8.190 nan 0.000 0.490 950 D N 1.073 121.504 120.400 0.051 0.000 2.272 950 D HA 0.109 4.753 4.640 0.007 0.000 0.308 950 D C 0.253 176.596 176.300 0.071 0.000 1.104 950 D CA 0.093 54.143 54.000 0.083 0.000 0.939 950 D CB 1.305 42.202 40.800 0.161 0.000 1.733 950 D HN 0.625 nan 8.370 nan 0.000 0.517 951 Q N 0.740 120.573 119.800 0.054 0.000 2.352 951 Q HA 0.420 4.764 4.340 0.007 0.000 0.270 951 Q C -2.100 173.899 176.000 -0.001 0.000 1.006 951 Q CA -0.584 55.231 55.803 0.021 0.000 0.880 951 Q CB 3.055 31.804 28.738 0.019 0.000 1.392 951 Q HN -0.082 nan 8.270 nan 0.000 0.401 952 V N 3.801 123.700 119.914 -0.025 0.000 2.443 952 V HA 0.463 4.587 4.120 0.007 0.000 0.293 952 V C -1.038 175.015 176.094 -0.069 0.000 1.021 952 V CA -0.681 61.586 62.300 -0.055 0.000 0.848 952 V CB 1.633 33.416 31.823 -0.066 0.000 0.998 952 V HN 0.669 nan 8.190 nan 0.000 0.424 953 L N 7.259 128.425 121.223 -0.095 0.000 2.295 953 L HA 0.666 5.010 4.340 0.007 0.000 0.281 953 L C -0.579 176.223 176.870 -0.113 0.000 1.018 953 L CA 0.011 54.799 54.840 -0.087 0.000 0.841 953 L CB 1.491 43.499 42.059 -0.085 0.000 1.218 953 L HN 0.448 nan 8.230 nan 0.000 0.424 954 V N 4.238 124.114 119.914 -0.064 0.000 2.318 954 V HA 0.585 4.709 4.120 0.007 0.000 0.271 954 V C 0.126 176.245 176.094 0.042 0.000 1.030 954 V CA -0.210 62.067 62.300 -0.038 0.000 0.844 954 V CB 0.621 32.424 31.823 -0.033 0.000 1.015 954 V HN 0.877 nan 8.190 nan 0.000 0.460 955 T N 1.810 116.436 114.554 0.119 0.000 2.906 955 T HA 0.417 4.771 4.350 0.007 0.000 0.295 955 T C -0.007 174.886 174.700 0.322 0.000 1.075 955 T CA -0.569 61.660 62.100 0.215 0.000 1.005 955 T CB 1.967 71.016 68.868 0.303 0.000 1.136 955 T HN 0.548 nan 8.240 nan 0.000 0.498 956 T N 1.526 116.208 114.554 0.214 0.000 2.899 956 T HA 0.363 4.717 4.350 0.007 0.000 0.295 956 T C 0.187 174.922 174.700 0.057 0.000 1.033 956 T CA -0.453 61.737 62.100 0.151 0.000 1.084 956 T CB 0.128 69.044 68.868 0.081 0.000 0.979 956 T HN 0.708 nan 8.240 nan 0.000 0.532 957 N N 1.895 120.523 118.700 -0.121 0.000 2.476 957 N HA 0.220 4.964 4.740 0.007 0.000 0.276 957 N C 1.177 176.606 175.510 -0.135 0.000 1.204 957 N CA -0.485 52.376 53.050 -0.315 0.000 0.974 957 N CB 0.858 38.992 38.487 -0.588 0.000 1.204 957 N HN 0.717 nan 8.380 nan 0.000 0.543 958 Q N -0.438 119.292 119.800 -0.116 0.000 2.217 958 Q HA -0.224 4.120 4.340 0.007 0.000 0.209 958 Q C 0.196 176.174 176.000 -0.037 0.000 0.988 958 Q CA 1.876 57.652 55.803 -0.044 0.000 0.878 958 Q CB -0.080 28.642 28.738 -0.028 0.000 0.909 958 Q HN 0.660 nan 8.270 nan 0.000 0.424 959 D N -1.731 118.631 120.400 -0.063 0.000 2.363 959 D HA 0.017 4.661 4.640 0.007 0.000 0.220 959 D C 0.766 177.032 176.300 -0.056 0.000 0.994 959 D CA 1.056 55.020 54.000 -0.060 0.000 0.890 959 D CB 0.401 41.152 40.800 -0.082 0.000 0.906 959 D HN 0.530 nan 8.370 nan 0.000 0.530 960 G N 0.935 109.709 108.800 -0.044 0.000 2.132 960 G HA2 -0.249 3.715 3.960 0.007 0.000 0.228 960 G HA3 -0.249 3.715 3.960 0.007 0.000 0.228 960 G C 0.171 175.060 174.900 -0.018 0.000 1.000 960 G CA -0.296 44.790 45.100 -0.022 0.000 0.693 960 G HN 0.283 nan 8.290 nan 0.000 0.515 961 L N 0.858 122.062 121.223 -0.033 0.000 2.265 961 L HA 0.352 4.696 4.340 0.007 0.000 0.288 961 L C 1.098 178.017 176.870 0.082 0.000 1.058 961 L CA -0.664 54.173 54.840 -0.005 0.000 0.809 961 L CB 1.259 43.293 42.059 -0.042 0.000 1.179 961 L HN 0.135 nan 8.230 nan 0.000 0.429 962 K N 5.445 125.932 120.400 0.144 0.000 2.447 962 K HA 0.203 4.527 4.320 0.007 0.000 0.281 962 K C -0.857 176.024 176.600 0.469 0.000 1.031 962 K CA 0.159 56.610 56.287 0.273 0.000 1.019 962 K CB 0.358 33.019 32.500 0.270 0.000 0.918 962 K HN 0.513 nan 8.250 nan 0.000 0.476 963 F N 1.630 121.709 119.950 0.215 0.000 2.662 963 F HA 0.643 5.174 4.527 0.008 0.000 0.312 963 F C -1.844 174.023 175.800 0.112 0.000 1.113 963 F CA -1.238 56.905 58.000 0.238 0.000 0.951 963 F CB 1.423 40.523 39.000 0.166 0.000 1.344 963 F HN 0.082 nan 8.300 nan 0.000 0.462 964 V N 2.308 121.990 119.914 -0.387 0.000 2.686 964 V HA 0.429 4.553 4.120 0.007 0.000 0.306 964 V C -1.091 174.728 176.094 -0.457 0.000 1.065 964 V CA -0.992 61.050 62.300 -0.429 0.000 0.894 964 V CB 2.169 33.739 31.823 -0.423 0.000 1.004 964 V HN 0.742 nan 8.190 nan 0.000 0.424 965 K N 3.253 123.436 120.400 -0.362 0.000 2.358 965 K HA 0.764 5.088 4.320 0.007 0.000 0.260 965 K C -1.370 175.165 176.600 -0.109 0.000 0.956 965 K CA -0.671 55.486 56.287 -0.217 0.000 0.834 965 K CB 2.500 34.880 32.500 -0.200 0.000 1.102 965 K HN 0.416 nan 8.250 nan 0.000 0.431 966 V N 3.480 123.376 119.914 -0.030 0.000 2.448 966 V HA 0.428 4.552 4.120 0.007 0.000 0.295 966 V C -0.302 175.864 176.094 0.121 0.000 1.025 966 V CA -0.821 61.484 62.300 0.008 0.000 0.859 966 V CB 1.463 33.262 31.823 -0.040 0.000 0.988 966 V HN 0.710 nan 8.190 nan 0.000 0.431 967 R N 3.816 124.374 120.500 0.097 0.000 2.599 967 R HA 0.825 5.168 4.340 0.007 0.000 0.295 967 R C -2.023 174.367 176.300 0.151 0.000 0.963 967 R CA -0.438 55.747 56.100 0.141 0.000 0.883 967 R CB 2.157 32.523 30.300 0.110 0.000 1.171 967 R HN 0.488 nan 8.270 nan 0.000 0.450 968 V N 4.681 124.697 119.914 0.170 0.000 2.531 968 V HA 0.508 4.632 4.120 0.007 0.000 0.301 968 V C -0.397 175.711 176.094 0.024 0.000 1.034 968 V CA -0.854 61.519 62.300 0.121 0.000 0.865 968 V CB 1.515 33.455 31.823 0.196 0.000 0.995 968 V HN 0.735 nan 8.190 nan 0.000 0.424 969 R N 2.891 123.346 120.500 -0.074 0.000 2.445 969 R HA 0.761 5.105 4.340 0.007 0.000 0.308 969 R C -1.072 175.135 176.300 -0.155 0.000 0.961 969 R CA -0.131 55.775 56.100 -0.323 0.000 0.862 969 R CB 1.933 31.875 30.300 -0.597 0.000 1.144 969 R HN 0.808 nan 8.270 nan 0.000 0.447 970 T N 1.656 116.149 114.554 -0.101 0.000 2.906 970 T HA 0.302 4.656 4.350 0.007 0.000 0.295 970 T C -0.571 174.133 174.700 0.008 0.000 1.061 970 T CA -0.576 61.526 62.100 0.002 0.000 1.000 970 T CB 1.934 70.850 68.868 0.081 0.000 1.103 970 T HN 0.419 nan 8.240 nan 0.000 0.486 971 T N 2.764 117.338 114.554 0.033 0.000 2.837 971 T HA 0.396 4.749 4.350 0.007 0.000 0.285 971 T C -0.183 174.524 174.700 0.012 0.000 0.984 971 T CA -0.591 61.550 62.100 0.069 0.000 1.049 971 T CB 0.476 69.406 68.868 0.102 0.000 0.947 971 T HN 0.331 nan 8.240 nan 0.000 0.472 972 K N 3.740 124.138 120.400 -0.004 0.000 2.464 972 K HA 0.404 4.728 4.320 0.007 0.000 0.252 972 K C -0.578 175.995 176.600 -0.044 0.000 1.000 972 K CA -0.417 55.850 56.287 -0.033 0.000 0.951 972 K CB 1.212 33.683 32.500 -0.049 0.000 1.183 972 K HN 0.534 nan 8.250 nan 0.000 0.445 973 I N 5.438 125.980 120.570 -0.046 0.000 2.441 973 I HA 0.121 4.295 4.170 0.007 0.000 0.287 973 I C -1.722 174.404 176.117 0.015 0.000 1.049 973 I CA -2.036 59.242 61.300 -0.036 0.000 1.381 973 I CB 0.926 38.900 38.000 -0.043 0.000 1.409 973 I HN 0.302 nan 8.210 nan 0.000 0.523 974 P HA 0.080 nan 4.420 nan 0.000 0.271 974 P C -0.913 176.448 177.300 0.103 0.000 1.233 974 P CA 0.009 63.200 63.100 0.152 0.000 0.764 974 P CB 1.310 33.192 31.700 0.303 0.000 0.825 975 Q N 2.431 122.285 119.800 0.091 0.000 3.182 975 Q HA 0.415 4.758 4.340 0.007 0.000 0.212 975 Q C 0.849 176.887 176.000 0.064 0.000 1.099 975 Q CA -0.865 54.967 55.803 0.050 0.000 0.680 975 Q CB 1.119 29.872 28.738 0.024 0.000 3.554 975 Q HN 0.296 nan 8.270 nan 0.000 0.361 976 I N -0.554 120.040 120.570 0.040 0.000 3.708 976 I HA 0.151 4.324 4.170 0.007 0.000 0.302 976 I C 0.906 177.054 176.117 0.052 0.000 1.255 976 I CA 0.550 61.871 61.300 0.035 0.000 1.362 976 I CB 0.690 38.698 38.000 0.014 0.000 1.100 976 I HN 0.650 nan 8.210 nan 0.000 0.434 977 G N 0.311 109.140 108.800 0.049 0.000 3.820 977 G HA2 0.095 4.059 3.960 0.007 0.000 0.293 977 G HA3 0.095 4.059 3.960 0.007 0.000 0.293 977 G C -0.505 174.426 174.900 0.052 0.000 1.152 977 G CA -0.223 44.905 45.100 0.047 0.000 0.921 977 G HN 0.066 nan 8.290 nan 0.000 0.544 978 D N 0.933 121.392 120.400 0.098 0.000 2.232 978 D HA 0.249 4.893 4.640 0.007 0.000 0.242 978 D C 0.131 176.440 176.300 0.015 0.000 1.093 978 D CA -0.076 53.945 54.000 0.035 0.000 0.845 978 D CB 2.056 42.894 40.800 0.063 0.000 1.124 978 D HN 0.059 nan 8.370 nan 0.000 0.467 979 K N 1.837 122.148 120.400 -0.147 0.000 2.237 979 K HA 0.398 4.722 4.320 0.007 0.000 0.270 979 K C -0.892 175.511 176.600 -0.328 0.000 1.015 979 K CA -0.140 56.095 56.287 -0.086 0.000 0.949 979 K CB 0.554 33.011 32.500 -0.071 0.000 0.976 979 K HN 0.203 nan 8.250 nan 0.000 0.472 980 F N 0.265 120.205 119.950 -0.016 0.000 2.706 980 F HA 0.701 5.232 4.527 0.006 0.000 0.328 980 F C -0.593 175.233 175.800 0.043 0.000 1.123 980 F CA -0.731 57.254 58.000 -0.027 0.000 0.978 980 F CB 2.168 41.145 39.000 -0.038 0.000 1.404 980 F HN 0.557 nan 8.300 nan 0.000 0.497 981 A N 0.399 123.367 122.820 0.246 0.000 2.582 981 A HA 0.587 4.911 4.320 0.007 0.000 0.297 981 A C -0.646 176.747 177.584 -0.318 0.000 1.059 981 A CA -0.257 51.808 52.037 0.046 0.000 0.705 981 A CB 0.954 19.954 19.000 0.000 0.000 1.279 981 A HN 0.957 nan 8.150 nan 0.000 0.404 982 S N 1.133 116.483 115.700 -0.582 0.000 2.596 982 S HA 0.469 4.943 4.470 0.007 0.000 0.262 982 S C 0.710 175.065 174.600 -0.407 0.000 1.218 982 S CA 0.072 57.767 58.200 -0.841 0.000 0.998 982 S CB 0.540 63.406 63.200 -0.558 0.000 1.060 982 S HN 0.767 nan 8.310 nan 0.000 0.552 983 R N -0.717 119.480 120.500 -0.504 0.000 2.426 983 R HA 0.274 4.618 4.340 0.007 0.000 0.263 983 R C -0.186 175.716 176.300 -0.662 0.000 0.961 983 R CA 0.119 55.905 56.100 -0.523 0.000 1.086 983 R CB -0.315 29.680 30.300 -0.507 0.000 1.186 983 R HN 0.770 nan 8.270 nan 0.000 0.537 984 H N -2.149 116.926 119.070 0.007 0.000 2.637 984 H HA 0.268 4.827 4.556 0.007 0.000 0.245 984 H C 0.713 176.102 175.328 0.102 0.000 1.190 984 H CA 0.174 56.264 56.048 0.069 0.000 0.934 984 H CB 1.502 31.338 29.762 0.124 0.000 1.950 984 H HN 0.254 nan 8.280 nan 0.000 0.614 985 G N 1.213 110.102 108.800 0.147 0.000 2.153 985 G HA2 -0.297 3.667 3.960 0.007 0.000 0.252 985 G HA3 -0.297 3.667 3.960 0.007 0.000 0.252 985 G C 0.170 175.159 174.900 0.149 0.000 0.994 985 G CA -0.298 44.911 45.100 0.182 0.000 0.698 985 G HN 0.363 nan 8.290 nan 0.000 0.521 986 Q N 0.910 120.794 119.800 0.140 0.000 2.681 986 Q HA 0.186 4.530 4.340 0.007 0.000 0.222 986 Q C 1.041 177.106 176.000 0.107 0.000 1.258 986 Q CA 0.040 55.919 55.803 0.127 0.000 1.014 986 Q CB 0.506 29.353 28.738 0.181 0.000 1.384 986 Q HN 0.837 nan 8.270 nan 0.000 0.570 987 K N -0.354 120.086 120.400 0.066 0.000 2.120 987 K HA 0.729 5.053 4.320 0.007 0.000 0.245 987 K C 0.152 176.807 176.600 0.092 0.000 1.024 987 K CA -0.505 55.817 56.287 0.059 0.000 0.906 987 K CB 0.965 33.460 32.500 -0.008 0.000 1.051 987 K HN 0.335 nan 8.250 nan 0.000 0.491 988 G N 0.021 108.887 108.800 0.109 0.000 2.384 988 G HA2 0.267 4.231 3.960 0.007 0.000 0.300 988 G HA3 0.267 4.231 3.960 0.007 0.000 0.300 988 G C -1.120 173.871 174.900 0.152 0.000 1.582 988 G CA -0.397 44.771 45.100 0.112 0.000 0.875 988 G HN 0.869 nan 8.290 nan 0.000 0.628 989 T N -1.241 113.385 114.554 0.120 0.000 2.940 989 T HA 0.793 5.147 4.350 0.007 0.000 0.288 989 T C 0.458 175.235 174.700 0.128 0.000 1.045 989 T CA -0.812 61.381 62.100 0.155 0.000 1.018 989 T CB 1.437 70.358 68.868 0.089 0.000 1.151 989 T HN 0.578 nan 8.240 nan 0.000 0.529 990 I N 0.811 121.463 120.570 0.137 0.000 2.720 990 I HA 0.441 4.615 4.170 0.007 0.000 0.287 990 I C 1.468 177.611 176.117 0.043 0.000 1.090 990 I CA 0.229 61.563 61.300 0.056 0.000 1.384 990 I CB 1.080 39.112 38.000 0.053 0.000 1.420 990 I HN 1.023 nan 8.210 nan 0.000 0.575 991 G N 4.939 113.749 108.800 0.017 0.000 2.659 991 G HA2 0.350 4.314 3.960 0.007 0.000 0.197 991 G HA3 0.350 4.314 3.960 0.007 0.000 0.197 991 G C -0.192 174.716 174.900 0.013 0.000 1.099 991 G CA 0.270 45.411 45.100 0.067 0.000 0.759 991 G HN 0.440 nan 8.290 nan 0.000 0.715 992 I N 0.629 121.125 120.570 -0.123 0.000 3.021 992 I HA 0.490 4.664 4.170 0.007 0.000 0.305 992 I C -1.430 174.490 176.117 -0.328 0.000 1.434 992 I CA -0.523 60.600 61.300 -0.295 0.000 0.969 992 I CB 2.433 40.072 38.000 -0.603 0.000 1.328 992 I HN 0.072 nan 8.210 nan 0.000 0.486 993 T N 1.263 115.644 114.554 -0.288 0.000 2.812 993 T HA 0.605 4.959 4.350 0.007 0.000 0.282 993 T C -1.077 173.577 174.700 -0.076 0.000 0.990 993 T CA -0.475 61.510 62.100 -0.191 0.000 0.960 993 T CB 0.768 69.589 68.868 -0.079 0.000 0.948 993 T HN 0.417 nan 8.240 nan 0.000 0.438 994 Y N 0.904 121.194 120.300 -0.017 0.000 2.446 994 Y HA 0.567 5.121 4.550 0.006 0.000 0.338 994 Y C 1.146 177.047 175.900 0.003 0.000 1.055 994 Y CA -1.671 56.435 58.100 0.010 0.000 1.101 994 Y CB 2.100 40.596 38.460 0.059 0.000 1.221 994 Y HN 0.446 nan 8.280 nan 0.000 0.460 995 R N 0.726 121.331 120.500 0.176 0.000 2.577 995 R HA 0.197 4.541 4.340 0.007 0.000 0.269 995 R C 1.354 177.692 176.300 0.063 0.000 1.084 995 R CA -0.354 55.794 56.100 0.081 0.000 1.163 995 R CB 0.673 30.998 30.300 0.041 0.000 1.100 995 R HN 0.720 nan 8.270 nan 0.000 0.547 996 R N 1.184 121.699 120.500 0.025 0.000 2.134 996 R HA -0.293 4.051 4.340 0.007 0.000 0.248 996 R C 1.361 177.656 176.300 -0.009 0.000 1.143 996 R CA 2.568 58.671 56.100 0.005 0.000 0.957 996 R CB -0.063 30.224 30.300 -0.022 0.000 0.867 996 R HN 0.649 nan 8.270 nan 0.000 0.441 997 E N 0.164 120.351 120.200 -0.021 0.000 2.070 997 E HA -0.200 4.154 4.350 0.007 0.000 0.197 997 E C 1.590 178.208 176.600 0.030 0.000 1.004 997 E CA 1.731 58.109 56.400 -0.036 0.000 0.805 997 E CB -0.207 29.473 29.700 -0.033 0.000 0.744 997 E HN 0.428 nan 8.360 nan 0.000 0.451 998 D N -0.322 120.115 120.400 0.061 0.000 2.317 998 D HA 0.012 4.656 4.640 0.007 0.000 0.211 998 D C 0.379 176.771 176.300 0.153 0.000 0.966 998 D CA 0.320 54.395 54.000 0.124 0.000 0.876 998 D CB -0.036 40.742 40.800 -0.037 0.000 0.927 998 D HN 0.128 nan 8.370 nan 0.000 0.519 999 M N 1.783 121.445 119.600 0.104 0.000 2.243 999 M HA 0.168 4.652 4.480 0.007 0.000 0.341 999 M C -2.312 174.026 176.300 0.063 0.000 1.130 999 M CA -1.833 53.486 55.300 0.031 0.000 1.162 999 M CB 0.848 33.476 32.600 0.047 0.000 1.497 999 M HN -0.245 nan 8.290 nan 0.000 0.456 1000 P HA 0.186 nan 4.420 nan 0.000 0.275 1000 P C -1.493 175.889 177.300 0.138 0.000 1.227 1000 P CA -0.006 63.116 63.100 0.037 0.000 0.781 1000 P CB -0.066 31.512 31.700 -0.203 0.000 0.906 1001 F N -1.187 118.746 119.950 -0.028 0.000 2.540 1001 F HA 0.562 5.093 4.527 0.007 0.000 0.317 1001 F C 0.260 176.041 175.800 -0.032 0.000 1.104 1001 F CA -1.188 56.783 58.000 -0.048 0.000 0.913 1001 F CB 1.094 40.084 39.000 -0.016 0.000 1.170 1001 F HN 0.111 nan 8.300 nan 0.000 0.450 1002 T N 1.637 116.138 114.554 -0.089 0.000 2.855 1002 T HA 0.239 4.593 4.350 0.007 0.000 0.322 1002 T C 1.348 176.083 174.700 0.058 0.000 1.088 1002 T CA 0.600 62.639 62.100 -0.101 0.000 1.104 1002 T CB 0.966 69.785 68.868 -0.082 0.000 0.996 1002 T HN 0.905 nan 8.240 nan 0.000 0.549 1003 A N 2.708 125.575 122.820 0.077 0.000 2.019 1003 A HA -0.064 4.260 4.320 0.007 0.000 0.219 1003 A C 1.736 179.353 177.584 0.055 0.000 1.164 1003 A CA 1.687 53.754 52.037 0.050 0.000 0.644 1003 A CB -0.438 18.625 19.000 0.105 0.000 0.805 1003 A HN 0.945 nan 8.150 nan 0.000 0.449 1004 E N -1.481 118.768 120.200 0.082 0.000 2.489 1004 E HA 0.373 4.727 4.350 0.007 0.000 0.193 1004 E C 1.067 177.721 176.600 0.090 0.000 1.057 1004 E CA 0.358 56.804 56.400 0.077 0.000 0.866 1004 E CB -0.022 29.733 29.700 0.091 0.000 0.916 1004 E HN 0.648 nan 8.360 nan 0.000 0.500 1005 G N 1.040 109.919 108.800 0.131 0.000 2.218 1005 G HA2 -0.221 3.743 3.960 0.007 0.000 0.216 1005 G HA3 -0.221 3.743 3.960 0.007 0.000 0.216 1005 G C 0.327 175.302 174.900 0.125 0.000 0.994 1005 G CA -0.221 44.946 45.100 0.112 0.000 0.637 1005 G HN 0.189 nan 8.290 nan 0.000 0.505 1006 I N 1.107 121.769 120.570 0.153 0.000 2.813 1006 I HA 0.437 4.611 4.170 0.007 0.000 0.287 1006 I C 0.672 176.920 176.117 0.219 0.000 1.196 1006 I CA 0.151 61.568 61.300 0.195 0.000 1.421 1006 I CB 0.969 39.150 38.000 0.302 0.000 1.365 1006 I HN -0.024 nan 8.210 nan 0.000 0.591 1007 V N 6.576 126.643 119.914 0.256 0.000 2.971 1007 V HA 0.470 4.594 4.120 0.007 0.000 0.309 1007 V C -2.266 174.013 176.094 0.309 0.000 1.130 1007 V CA -1.399 61.040 62.300 0.232 0.000 0.964 1007 V CB 3.104 34.996 31.823 0.116 0.000 1.029 1007 V HN 0.679 nan 8.190 nan 0.000 0.427 1008 P HA 0.354 nan 4.420 nan 0.000 0.279 1008 P C -0.574 176.734 177.300 0.014 0.000 1.252 1008 P CA -0.200 62.998 63.100 0.163 0.000 0.811 1008 P CB 1.243 33.066 31.700 0.204 0.000 1.035 1009 D N 0.087 120.441 120.400 -0.077 0.000 2.323 1009 D HA 0.103 4.746 4.640 0.007 0.000 0.209 1009 D C 0.225 176.446 176.300 -0.132 0.000 0.973 1009 D CA 1.153 55.088 54.000 -0.108 0.000 0.874 1009 D CB 0.096 40.805 40.800 -0.153 0.000 0.930 1009 D HN 0.109 nan 8.370 nan 0.000 0.521 1010 L N 0.489 121.632 121.223 -0.135 0.000 2.565 1010 L HA 0.368 4.712 4.340 0.007 0.000 0.261 1010 L C -1.678 175.126 176.870 -0.110 0.000 0.932 1010 L CA -0.401 54.331 54.840 -0.180 0.000 0.878 1010 L CB 2.183 44.054 42.059 -0.314 0.000 1.333 1010 L HN -0.237 nan 8.230 nan 0.000 0.409 1011 I N 5.735 126.258 120.570 -0.078 0.000 2.411 1011 I HA 0.492 4.666 4.170 0.007 0.000 0.284 1011 I C -0.047 176.079 176.117 0.016 0.000 1.012 1011 I CA -0.545 60.753 61.300 -0.003 0.000 1.119 1011 I CB 1.341 39.355 38.000 0.024 0.000 1.261 1011 I HN 0.515 nan 8.210 nan 0.000 0.448 1012 I N 2.584 123.183 120.570 0.049 0.000 2.793 1012 I HA 0.559 4.733 4.170 0.007 0.000 0.313 1012 I C -0.121 176.051 176.117 0.092 0.000 0.998 1012 I CA -0.745 60.600 61.300 0.075 0.000 1.140 1012 I CB 1.272 39.335 38.000 0.106 0.000 1.327 1012 I HN 0.388 nan 8.210 nan 0.000 0.491 1013 N N 4.348 123.104 118.700 0.093 0.000 2.419 1013 N HA 0.311 5.054 4.740 0.007 0.000 0.264 1013 N C -1.655 173.889 175.510 0.057 0.000 1.031 1013 N CA -2.393 50.720 53.050 0.105 0.000 0.951 1013 N CB 1.372 39.945 38.487 0.144 0.000 1.101 1013 N HN 0.461 nan 8.380 nan 0.000 0.488 1014 P HA -0.177 nan 4.420 nan 0.000 0.219 1014 P C 0.499 177.714 177.300 -0.142 0.000 1.144 1014 P CA 1.315 64.362 63.100 -0.088 0.000 0.806 1014 P CB 0.094 31.710 31.700 -0.141 0.000 0.771 1015 H N -0.571 118.510 119.070 0.018 0.000 2.567 1015 H HA 0.179 4.739 4.556 0.006 0.000 0.276 1015 H C 1.662 176.991 175.328 0.002 0.000 1.016 1015 H CA 0.943 56.997 56.048 0.009 0.000 1.186 1015 H CB -0.163 29.606 29.762 0.013 0.000 1.351 1015 H HN 0.199 nan 8.280 nan 0.000 0.605 1016 A N 0.408 123.274 122.820 0.077 0.000 2.275 1016 A HA 0.090 4.414 4.320 0.007 0.000 0.212 1016 A C 1.942 179.525 177.584 -0.001 0.000 1.201 1016 A CA 0.024 52.086 52.037 0.042 0.000 0.843 1016 A CB 0.036 19.055 19.000 0.033 0.000 0.873 1016 A HN 0.126 nan 8.150 nan 0.000 0.492 1017 I N 0.192 120.745 120.570 -0.027 0.000 2.810 1017 I HA 0.020 4.194 4.170 0.007 0.000 0.262 1017 I C -0.604 175.493 176.117 -0.034 0.000 1.131 1017 I CA 0.630 61.894 61.300 -0.060 0.000 1.453 1017 I CB -1.947 35.985 38.000 -0.113 0.000 1.161 1017 I HN 0.153 nan 8.210 nan 0.000 0.444 1018 P HA -0.019 nan 4.420 nan 0.000 0.221 1018 P C 1.600 178.906 177.300 0.010 0.000 1.155 1018 P CA 1.230 64.325 63.100 -0.009 0.000 0.812 1018 P CB 0.093 31.791 31.700 -0.002 0.000 0.801 1019 S N -0.777 114.938 115.700 0.025 0.000 2.501 1019 S HA 0.115 4.589 4.470 0.007 0.000 0.220 1019 S C 1.816 176.437 174.600 0.034 0.000 0.997 1019 S CA -0.074 58.144 58.200 0.031 0.000 0.919 1019 S CB -0.526 62.697 63.200 0.037 0.000 0.778 1019 S HN 0.047 nan 8.310 nan 0.000 0.523 1020 R N 0.300 120.820 120.500 0.034 0.000 2.427 1020 R HA 0.392 4.736 4.340 0.007 0.000 0.262 1020 R C -0.354 175.972 176.300 0.043 0.000 0.943 1020 R CA -0.248 55.882 56.100 0.050 0.000 1.081 1020 R CB -0.291 30.044 30.300 0.059 0.000 1.166 1020 R HN 0.385 nan 8.270 nan 0.000 0.534 1021 M N 1.460 121.074 119.600 0.024 0.000 3.474 1021 M HA -0.210 4.274 4.480 0.007 0.000 0.175 1021 M C 0.173 176.485 176.300 0.020 0.000 1.444 1021 M CA 1.088 56.396 55.300 0.014 0.000 0.928 1021 M CB -0.746 31.864 32.600 0.016 0.000 1.316 1021 M HN -0.075 nan 8.290 nan 0.000 0.536 1022 T N 1.339 115.897 114.554 0.007 0.000 3.390 1022 T HA 0.468 4.821 4.350 0.007 0.000 0.351 1022 T C 0.725 175.402 174.700 -0.038 0.000 1.759 1022 T CA -0.739 61.369 62.100 0.014 0.000 1.561 1022 T CB 0.189 69.094 68.868 0.063 0.000 1.011 1022 T HN 0.323 nan 8.240 nan 0.000 0.689 1023 V N 2.383 122.271 119.914 -0.043 0.000 2.719 1023 V HA 0.083 4.207 4.120 0.007 0.000 0.252 1023 V C 2.908 178.917 176.094 -0.141 0.000 1.065 1023 V CA 1.538 63.790 62.300 -0.081 0.000 1.086 1023 V CB -0.887 30.911 31.823 -0.042 0.000 0.700 1023 V HN 0.813 nan 8.190 nan 0.000 0.467 1024 A N -0.286 122.440 122.820 -0.157 0.000 1.908 1024 A HA -0.305 4.019 4.320 0.007 0.000 0.218 1024 A C 2.229 179.585 177.584 -0.380 0.000 1.181 1024 A CA 2.101 54.009 52.037 -0.215 0.000 0.627 1024 A CB -0.849 18.059 19.000 -0.153 0.000 0.818 1024 A HN 0.645 nan 8.150 nan 0.000 0.445 1025 H N 0.438 119.082 119.070 -0.710 0.000 2.265 1025 H HA -0.134 4.425 4.556 0.006 0.000 0.295 1025 H C 1.954 177.255 175.328 -0.045 0.000 1.084 1025 H CA 2.243 58.076 56.048 -0.359 0.000 1.261 1025 H CB -0.481 29.211 29.762 -0.116 0.000 1.360 1025 H HN 0.424 nan 8.280 nan 0.000 0.487 1026 L N 0.192 121.506 121.223 0.151 0.000 2.081 1026 L HA -0.220 4.124 4.340 0.007 0.000 0.212 1026 L C 2.822 179.743 176.870 0.084 0.000 1.080 1026 L CA 1.333 56.202 54.840 0.048 0.000 0.754 1026 L CB -0.435 41.491 42.059 -0.222 0.000 0.893 1026 L HN 0.270 nan 8.230 nan 0.000 0.433 1027 I N -0.142 120.400 120.570 -0.046 0.000 2.277 1027 I HA -0.224 3.950 4.170 0.007 0.000 0.243 1027 I C 2.608 178.803 176.117 0.131 0.000 1.094 1027 I CA 1.180 62.427 61.300 -0.088 0.000 1.393 1027 I CB -0.464 37.227 38.000 -0.515 0.000 1.078 1027 I HN 0.277 nan 8.210 nan 0.000 0.417 1028 E N 1.129 121.463 120.200 0.223 0.000 2.160 1028 E HA -0.298 4.056 4.350 0.007 0.000 0.195 1028 E C 2.264 178.942 176.600 0.129 0.000 0.991 1028 E CA 1.760 58.300 56.400 0.233 0.000 0.810 1028 E CB -0.507 29.316 29.700 0.204 0.000 0.742 1028 E HN 0.540 nan 8.360 nan 0.000 0.466 1029 C N -0.329 119.057 119.300 0.144 0.000 2.440 1029 C HA 0.038 4.502 4.460 0.007 0.000 0.278 1029 C C 2.499 177.485 174.990 -0.007 0.000 1.295 1029 C CA 0.752 59.825 59.018 0.092 0.000 1.738 1029 C CB -1.089 26.806 27.740 0.258 0.000 1.987 1029 C HN 0.689 nan 8.230 nan 0.000 0.492 1030 L N 0.285 121.559 121.223 0.086 0.000 2.068 1030 L HA 0.077 4.421 4.340 0.007 0.000 0.204 1030 L C 2.246 179.120 176.870 0.007 0.000 1.076 1030 L CA 1.468 56.319 54.840 0.018 0.000 0.753 1030 L CB -0.783 41.341 42.059 0.108 0.000 0.910 1030 L HN 0.343 nan 8.230 nan 0.000 0.439 1031 L N -0.727 120.536 121.223 0.068 0.000 1.971 1031 L HA -0.238 4.106 4.340 0.007 0.000 0.215 1031 L C 2.579 179.451 176.870 0.003 0.000 1.072 1031 L CA 2.226 57.111 54.840 0.076 0.000 0.758 1031 L CB -1.283 40.894 42.059 0.197 0.000 0.889 1031 L HN 0.326 nan 8.230 nan 0.000 0.433 1032 S N -0.595 115.101 115.700 -0.007 0.000 2.389 1032 S HA -0.336 4.138 4.470 0.007 0.000 0.231 1032 S C 2.036 176.576 174.600 -0.101 0.000 1.052 1032 S CA 2.018 60.187 58.200 -0.052 0.000 1.053 1032 S CB -0.391 62.787 63.200 -0.036 0.000 0.886 1032 S HN 0.493 nan 8.310 nan 0.000 0.456 1033 K N 0.490 120.809 120.400 -0.134 0.000 2.032 1033 K HA -0.116 4.207 4.320 0.007 0.000 0.209 1033 K C 1.916 178.387 176.600 -0.215 0.000 1.048 1033 K CA 1.672 57.837 56.287 -0.204 0.000 0.927 1033 K CB -0.221 32.128 32.500 -0.251 0.000 0.712 1033 K HN 0.241 nan 8.250 nan 0.000 0.441 1034 V N 1.248 121.069 119.914 -0.156 0.000 2.270 1034 V HA -0.248 3.876 4.120 0.007 0.000 0.245 1034 V C 2.450 178.438 176.094 -0.176 0.000 1.043 1034 V CA 1.889 64.088 62.300 -0.168 0.000 1.014 1034 V CB -1.017 30.781 31.823 -0.041 0.000 0.645 1034 V HN 0.511 nan 8.190 nan 0.000 0.447 1035 A N 0.490 123.247 122.820 -0.106 0.000 1.909 1035 A HA -0.351 3.973 4.320 0.007 0.000 0.221 1035 A C 2.446 179.958 177.584 -0.121 0.000 1.223 1035 A CA 3.306 55.287 52.037 -0.094 0.000 0.658 1035 A CB -1.210 17.742 19.000 -0.079 0.000 0.831 1035 A HN 0.681 nan 8.150 nan 0.000 0.462 1036 A N -0.689 122.047 122.820 -0.140 0.000 1.851 1036 A HA -0.082 4.242 4.320 0.007 0.000 0.216 1036 A C 2.245 179.735 177.584 -0.156 0.000 1.195 1036 A CA 1.697 53.653 52.037 -0.135 0.000 0.622 1036 A CB -0.772 18.144 19.000 -0.141 0.000 0.831 1036 A HN 0.525 nan 8.150 nan 0.000 0.444 1037 L N 0.317 121.392 121.223 -0.246 0.000 1.989 1037 L HA -0.232 4.112 4.340 0.007 0.000 0.211 1037 L C 3.058 179.748 176.870 -0.300 0.000 1.071 1037 L CA 1.954 56.605 54.840 -0.316 0.000 0.749 1037 L CB -0.550 41.176 42.059 -0.555 0.000 0.890 1037 L HN 0.641 nan 8.230 nan 0.000 0.431 1038 S N -0.921 114.563 115.700 -0.361 0.000 2.436 1038 S HA 0.040 4.514 4.470 0.007 0.000 0.228 1038 S C 1.658 176.252 174.600 -0.010 0.000 1.014 1038 S CA 0.614 58.770 58.200 -0.073 0.000 0.950 1038 S CB 0.159 63.383 63.200 0.040 0.000 0.784 1038 S HN 0.586 nan 8.310 nan 0.000 0.504 1039 G N 1.298 110.066 108.800 -0.052 0.000 2.157 1039 G HA2 -0.223 3.741 3.960 0.007 0.000 0.248 1039 G HA3 -0.223 3.741 3.960 0.007 0.000 0.248 1039 G C 0.037 174.920 174.900 -0.028 0.000 0.979 1039 G CA 0.119 45.199 45.100 -0.033 0.000 0.650 1039 G HN 0.527 nan 8.290 nan 0.000 0.529 1040 N N 0.256 118.939 118.700 -0.028 0.000 2.431 1040 N HA 0.471 5.214 4.740 0.007 0.000 0.289 1040 N C 0.020 175.501 175.510 -0.049 0.000 1.277 1040 N CA -0.141 52.893 53.050 -0.028 0.000 0.972 1040 N CB 0.445 38.926 38.487 -0.010 0.000 1.143 1040 N HN 0.470 nan 8.380 nan 0.000 0.578 1041 E N -0.315 119.852 120.200 -0.054 0.000 2.186 1041 E HA 0.362 4.716 4.350 0.007 0.000 0.255 1041 E C -0.522 176.031 176.600 -0.079 0.000 0.881 1041 E CA -0.738 55.616 56.400 -0.076 0.000 0.752 1041 E CB 0.522 30.169 29.700 -0.088 0.000 1.176 1041 E HN 0.625 nan 8.360 nan 0.000 0.421 1042 G N 3.650 112.401 108.800 -0.080 0.000 2.299 1042 G HA2 -0.048 3.916 3.960 0.007 0.000 0.256 1042 G HA3 -0.048 3.916 3.960 0.007 0.000 0.256 1042 G C -0.159 174.665 174.900 -0.126 0.000 1.259 1042 G CA -0.217 44.840 45.100 -0.072 0.000 0.943 1042 G HN 0.560 nan 8.290 nan 0.000 0.479 1043 D N 1.828 122.160 120.400 -0.112 0.000 2.365 1043 D HA 0.398 5.042 4.640 0.007 0.000 0.237 1043 D C 0.637 176.778 176.300 -0.265 0.000 1.190 1043 D CA -0.396 53.502 54.000 -0.169 0.000 0.867 1043 D CB 0.998 41.737 40.800 -0.101 0.000 1.050 1043 D HN 0.335 nan 8.370 nan 0.000 0.491 1044 A N 3.252 125.776 122.820 -0.495 0.000 2.842 1044 A HA 0.269 4.593 4.320 0.007 0.000 0.298 1044 A C 0.696 177.893 177.584 -0.645 0.000 1.293 1044 A CA -0.523 50.873 52.037 -1.068 0.000 0.959 1044 A CB -0.093 18.081 19.000 -1.377 0.000 1.119 1044 A HN 0.400 nan 8.150 nan 0.000 0.564 1045 S N 1.642 117.151 115.700 -0.318 0.000 2.568 1045 S HA 0.196 4.669 4.470 0.007 0.000 0.282 1045 S C -1.269 173.270 174.600 -0.103 0.000 1.338 1045 S CA -0.714 57.374 58.200 -0.187 0.000 1.045 1045 S CB 0.754 63.888 63.200 -0.111 0.000 0.873 1045 S HN 0.321 nan 8.310 nan 0.000 0.516 1046 P HA -0.149 nan 4.420 nan 0.000 0.217 1046 P C -0.091 177.094 177.300 -0.190 0.000 0.876 1046 P CA 1.395 64.256 63.100 -0.398 0.000 1.034 1046 P CB 0.023 31.189 31.700 -0.890 0.000 0.655 1047 F N -0.355 119.759 119.950 0.273 0.000 2.451 1047 F HA 0.269 4.800 4.527 0.007 0.000 0.356 1047 F C 0.911 176.853 175.800 0.236 0.000 1.178 1047 F CA -0.421 57.709 58.000 0.217 0.000 1.210 1047 F CB -0.646 38.450 39.000 0.160 0.000 1.504 1047 F HN -0.024 nan 8.300 nan 0.000 0.598 1048 T N -2.951 111.810 114.554 0.346 0.000 2.838 1048 T HA 0.300 4.654 4.350 0.007 0.000 0.292 1048 T C -0.101 174.744 174.700 0.242 0.000 1.113 1048 T CA -0.923 61.349 62.100 0.287 0.000 1.008 1048 T CB 2.025 71.044 68.868 0.252 0.000 1.259 1048 T HN 0.070 nan 8.240 nan 0.000 0.520 1049 D N 0.295 120.813 120.400 0.198 0.000 2.370 1049 D HA 0.333 4.977 4.640 0.007 0.000 0.230 1049 D C 0.106 176.496 176.300 0.150 0.000 1.143 1049 D CA -0.109 53.987 54.000 0.160 0.000 0.834 1049 D CB -0.168 40.711 40.800 0.130 0.000 0.944 1049 D HN 0.490 nan 8.370 nan 0.000 0.504 1050 I N 0.551 121.233 120.570 0.186 0.000 2.441 1050 I HA 0.073 4.247 4.170 0.007 0.000 0.287 1050 I C 0.390 176.586 176.117 0.131 0.000 1.049 1050 I CA 0.535 61.942 61.300 0.178 0.000 1.381 1050 I CB 1.093 39.240 38.000 0.246 0.000 1.409 1050 I HN -0.267 nan 8.210 nan 0.000 0.523 1051 T N 5.110 119.701 114.554 0.062 0.000 2.991 1051 T HA 0.170 4.524 4.350 0.007 0.000 0.303 1051 T C 0.893 175.573 174.700 -0.033 0.000 1.015 1051 T CA -0.463 61.646 62.100 0.015 0.000 1.007 1051 T CB 2.088 70.986 68.868 0.050 0.000 1.034 1051 T HN 0.300 nan 8.240 nan 0.000 0.446 1052 V N 3.187 123.045 119.914 -0.094 0.000 2.546 1052 V HA -0.130 3.993 4.120 0.007 0.000 0.254 1052 V C 2.421 178.501 176.094 -0.023 0.000 1.076 1052 V CA 1.719 63.961 62.300 -0.097 0.000 1.087 1052 V CB -0.239 31.511 31.823 -0.121 0.000 0.674 1052 V HN 0.764 nan 8.190 nan 0.000 0.470 1053 E N 0.271 120.471 120.200 -0.000 0.000 2.072 1053 E HA -0.100 4.254 4.350 0.007 0.000 0.190 1053 E C 2.350 178.970 176.600 0.033 0.000 0.982 1053 E CA 1.373 57.786 56.400 0.023 0.000 0.803 1053 E CB -0.561 29.155 29.700 0.027 0.000 0.755 1053 E HN 0.609 nan 8.360 nan 0.000 0.453 1054 G N 1.199 110.019 108.800 0.034 0.000 2.448 1054 G HA2 -0.135 3.829 3.960 0.007 0.000 0.218 1054 G HA3 -0.135 3.829 3.960 0.007 0.000 0.218 1054 G C 1.650 176.580 174.900 0.050 0.000 1.135 1054 G CA 0.233 45.360 45.100 0.045 0.000 0.784 1054 G HN 0.124 nan 8.290 nan 0.000 0.543 1055 I N 1.173 121.769 120.570 0.043 0.000 2.162 1055 I HA -0.114 4.060 4.170 0.007 0.000 0.238 1055 I C 2.858 179.009 176.117 0.057 0.000 1.076 1055 I CA 1.087 62.418 61.300 0.051 0.000 1.353 1055 I CB -1.234 36.788 38.000 0.036 0.000 1.063 1055 I HN 0.086 nan 8.210 nan 0.000 0.408 1056 S N 0.745 116.476 115.700 0.050 0.000 2.392 1056 S HA -0.274 4.200 4.470 0.007 0.000 0.232 1056 S C 2.024 176.668 174.600 0.073 0.000 1.041 1056 S CA 1.808 60.047 58.200 0.065 0.000 1.026 1056 S CB -0.373 62.863 63.200 0.060 0.000 0.845 1056 S HN 0.376 nan 8.310 nan 0.000 0.465 1057 K N 0.714 121.152 120.400 0.063 0.000 2.097 1057 K HA 0.015 4.339 4.320 0.007 0.000 0.205 1057 K C 2.002 178.645 176.600 0.071 0.000 1.050 1057 K CA 0.934 57.257 56.287 0.061 0.000 0.938 1057 K CB -0.172 32.357 32.500 0.048 0.000 0.718 1057 K HN 0.302 nan 8.250 nan 0.000 0.442 1058 L N 0.672 121.945 121.223 0.084 0.000 2.056 1058 L HA -0.165 4.179 4.340 0.007 0.000 0.207 1058 L C 2.370 179.354 176.870 0.191 0.000 1.078 1058 L CA 0.457 55.367 54.840 0.116 0.000 0.749 1058 L CB -0.298 41.833 42.059 0.119 0.000 0.901 1058 L HN 0.263 nan 8.230 nan 0.000 0.433 1059 L N -0.169 121.150 121.223 0.161 0.000 2.201 1059 L HA -0.149 4.195 4.340 0.007 0.000 0.212 1059 L C 2.545 179.543 176.870 0.214 0.000 1.105 1059 L CA 1.447 56.397 54.840 0.183 0.000 0.775 1059 L CB -0.498 41.619 42.059 0.097 0.000 0.913 1059 L HN 0.063 nan 8.230 nan 0.000 0.440 1060 R N 0.387 120.977 120.500 0.149 0.000 2.073 1060 R HA -0.088 4.256 4.340 0.007 0.000 0.229 1060 R C 2.084 178.441 176.300 0.096 0.000 1.120 1060 R CA 1.665 57.841 56.100 0.125 0.000 0.967 1060 R CB -0.510 29.842 30.300 0.088 0.000 0.862 1060 R HN 0.491 nan 8.270 nan 0.000 0.436 1061 E N -0.649 119.579 120.200 0.048 0.000 2.219 1061 E HA -0.190 4.164 4.350 0.007 0.000 0.198 1061 E C 1.189 177.739 176.600 -0.084 0.000 0.998 1061 E CA 1.060 57.434 56.400 -0.044 0.000 0.818 1061 E CB -0.126 29.504 29.700 -0.117 0.000 0.741 1061 E HN 0.490 nan 8.360 nan 0.000 0.477 1062 H N -1.176 117.962 119.070 0.113 0.000 2.543 1062 H HA 0.099 4.659 4.556 0.007 0.000 0.269 1062 H C 1.340 176.793 175.328 0.209 0.000 1.005 1062 H CA 0.914 57.061 56.048 0.166 0.000 1.146 1062 H CB 0.768 30.640 29.762 0.183 0.000 1.353 1062 H HN 0.365 nan 8.280 nan 0.000 0.595 1063 G N 0.103 109.013 108.800 0.184 0.000 2.175 1063 G HA2 -0.258 3.706 3.960 0.007 0.000 0.244 1063 G HA3 -0.258 3.706 3.960 0.007 0.000 0.244 1063 G C -0.381 174.489 174.900 -0.050 0.000 0.982 1063 G CA -0.185 44.928 45.100 0.023 0.000 0.641 1063 G HN 0.336 nan 8.290 nan 0.000 0.527 1064 Y N 0.183 120.537 120.300 0.089 0.000 2.487 1064 Y HA 0.600 5.154 4.550 0.006 0.000 0.337 1064 Y C 0.592 176.541 175.900 0.081 0.000 1.076 1064 Y CA -0.724 57.424 58.100 0.081 0.000 1.115 1064 Y CB 1.238 39.745 38.460 0.078 0.000 1.235 1064 Y HN 0.264 nan 8.280 nan 0.000 0.468 1065 Q N 0.705 120.648 119.800 0.238 0.000 2.274 1065 Q HA 0.080 4.424 4.340 0.007 0.000 0.280 1065 Q C 0.691 176.809 176.000 0.197 0.000 1.047 1065 Q CA 0.495 56.413 55.803 0.192 0.000 0.907 1065 Q CB 1.127 29.981 28.738 0.193 0.000 1.171 1065 Q HN 0.681 nan 8.270 nan 0.000 0.381 1066 S N 3.780 119.578 115.700 0.163 0.000 2.653 1066 S HA 0.002 4.476 4.470 0.007 0.000 0.233 1066 S C 0.452 175.131 174.600 0.131 0.000 0.970 1066 S CA 0.124 58.406 58.200 0.137 0.000 0.947 1066 S CB 0.024 63.290 63.200 0.110 0.000 0.771 1066 S HN 0.651 nan 8.310 nan 0.000 0.538 1067 R N -0.191 120.408 120.500 0.166 0.000 2.596 1067 R HA 0.366 4.710 4.340 0.007 0.000 0.369 1067 R C 1.539 177.877 176.300 0.063 0.000 1.042 1067 R CA 0.352 56.536 56.100 0.141 0.000 1.120 1067 R CB -0.157 30.284 30.300 0.235 0.000 1.353 1067 R HN 0.520 nan 8.270 nan 0.000 0.564 1068 G N 0.833 109.643 108.800 0.018 0.000 2.527 1068 G HA2 -0.299 3.665 3.960 0.007 0.000 0.218 1068 G HA3 -0.299 3.665 3.960 0.007 0.000 0.218 1068 G C 0.230 175.057 174.900 -0.122 0.000 1.177 1068 G CA -0.296 44.685 45.100 -0.199 0.000 0.695 1068 G HN 0.230 nan 8.290 nan 0.000 0.517 1069 F N 2.534 122.596 119.950 0.187 0.000 2.628 1069 F HA 0.465 4.995 4.527 0.006 0.000 0.362 1069 F C 1.092 176.956 175.800 0.106 0.000 1.148 1069 F CA 0.860 58.948 58.000 0.147 0.000 1.352 1069 F CB 0.366 39.441 39.000 0.125 0.000 1.081 1069 F HN 0.204 nan 8.300 nan 0.000 0.605 1070 E N 0.778 121.137 120.200 0.265 0.000 2.308 1070 E HA 0.353 4.707 4.350 0.007 0.000 0.275 1070 E C -1.339 175.277 176.600 0.028 0.000 0.890 1070 E CA -0.991 55.491 56.400 0.136 0.000 0.754 1070 E CB 2.457 32.216 29.700 0.098 0.000 1.207 1070 E HN 0.223 nan 8.360 nan 0.000 0.426 1071 V N 3.675 123.576 119.914 -0.021 0.000 2.694 1071 V HA 0.047 4.171 4.120 0.007 0.000 0.306 1071 V C 0.395 176.361 176.094 -0.213 0.000 1.054 1071 V CA 0.737 62.955 62.300 -0.137 0.000 1.161 1071 V CB -0.140 31.584 31.823 -0.166 0.000 0.916 1071 V HN 0.651 nan 8.190 nan 0.000 0.490 1072 M N 3.739 123.148 119.600 -0.318 0.000 2.691 1072 M HA 0.558 5.042 4.480 0.007 0.000 0.293 1072 M C -1.675 174.301 176.300 -0.539 0.000 1.259 1072 M CA -0.678 54.419 55.300 -0.338 0.000 0.827 1072 M CB 2.728 35.164 32.600 -0.274 0.000 1.753 1072 M HN 0.512 nan 8.290 nan 0.000 0.465 1073 Y N 0.375 120.311 120.300 -0.606 0.000 2.364 1073 Y HA 0.322 4.876 4.550 0.006 0.000 0.340 1073 Y C 0.287 176.031 175.900 -0.259 0.000 0.975 1073 Y CA -1.178 56.563 58.100 -0.599 0.000 1.089 1073 Y CB 0.780 38.565 38.460 -1.126 0.000 1.192 1073 Y HN 0.558 nan 8.280 nan 0.000 0.454 1074 N N 1.248 119.986 118.700 0.063 0.000 2.454 1074 N HA -0.020 4.724 4.740 0.007 0.000 0.254 1074 N C 0.955 176.641 175.510 0.293 0.000 1.228 1074 N CA 0.852 53.998 53.050 0.160 0.000 0.900 1074 N CB 1.525 40.030 38.487 0.030 0.000 1.089 1074 N HN 1.029 nan 8.380 nan 0.000 0.449 1075 G N 2.018 111.001 108.800 0.304 0.000 2.683 1075 G HA2 -0.113 3.851 3.960 0.007 0.000 0.213 1075 G HA3 -0.113 3.851 3.960 0.007 0.000 0.213 1075 G C 0.904 175.977 174.900 0.289 0.000 1.142 1075 G CA 0.191 45.498 45.100 0.345 0.000 0.793 1075 G HN 0.681 nan 8.290 nan 0.000 0.534 1076 H N -0.314 118.831 119.070 0.125 0.000 2.495 1076 H HA 0.107 4.667 4.556 0.007 0.000 0.287 1076 H C 2.009 177.371 175.328 0.056 0.000 1.033 1076 H CA 1.348 57.423 56.048 0.045 0.000 1.307 1076 H CB 0.227 29.988 29.762 -0.001 0.000 1.401 1076 H HN 0.298 nan 8.280 nan 0.000 0.555 1077 T N -2.538 112.144 114.554 0.213 0.000 3.028 1077 T HA 0.293 4.647 4.350 0.007 0.000 0.262 1077 T C 1.560 176.356 174.700 0.159 0.000 0.916 1077 T CA 0.750 62.942 62.100 0.153 0.000 0.873 1077 T CB 0.122 69.061 68.868 0.118 0.000 1.232 1077 T HN 0.507 nan 8.240 nan 0.000 0.529 1078 G N 2.192 111.135 108.800 0.238 0.000 2.302 1078 G HA2 -0.298 3.666 3.960 0.007 0.000 0.263 1078 G HA3 -0.298 3.666 3.960 0.007 0.000 0.263 1078 G C 0.227 175.290 174.900 0.272 0.000 0.995 1078 G CA 0.904 46.180 45.100 0.295 0.000 0.622 1078 G HN 0.598 nan 8.290 nan 0.000 0.538 1079 K N 1.150 121.650 120.400 0.167 0.000 2.382 1079 K HA 0.351 4.675 4.320 0.007 0.000 0.275 1079 K C 0.783 177.399 176.600 0.026 0.000 1.009 1079 K CA -0.315 56.032 56.287 0.099 0.000 0.970 1079 K CB 0.256 32.781 32.500 0.042 0.000 0.934 1079 K HN 0.243 nan 8.250 nan 0.000 0.479 1080 K N 2.704 123.047 120.400 -0.094 0.000 2.527 1080 K HA -0.037 4.287 4.320 0.007 0.000 0.278 1080 K C -0.128 176.312 176.600 -0.267 0.000 0.981 1080 K CA 0.153 56.190 56.287 -0.417 0.000 1.009 1080 K CB 0.325 32.582 32.500 -0.405 0.000 0.895 1080 K HN 0.447 nan 8.250 nan 0.000 0.493 1081 L N 4.561 125.596 121.223 -0.315 0.000 2.410 1081 L HA -0.036 4.308 4.340 0.007 0.000 0.273 1081 L C 1.563 178.333 176.870 -0.166 0.000 1.152 1081 L CA -0.374 54.360 54.840 -0.177 0.000 0.855 1081 L CB 0.728 42.705 42.059 -0.136 0.000 1.129 1081 L HN 0.792 nan 8.230 nan 0.000 0.463 1082 M N 2.824 122.359 119.600 -0.108 0.000 2.080 1082 M HA -0.062 4.422 4.480 0.007 0.000 0.260 1082 M C 0.900 177.143 176.300 -0.094 0.000 1.068 1082 M CA 1.298 56.542 55.300 -0.093 0.000 1.109 1082 M CB -0.731 31.831 32.600 -0.064 0.000 1.342 1082 M HN 0.668 nan 8.290 nan 0.000 0.405 1083 A N 0.192 122.967 122.820 -0.075 0.000 2.279 1083 A HA 0.499 4.823 4.320 0.007 0.000 0.303 1083 A C -0.327 177.218 177.584 -0.065 0.000 1.108 1083 A CA -0.550 51.446 52.037 -0.069 0.000 0.830 1083 A CB 0.396 19.378 19.000 -0.029 0.000 1.106 1083 A HN 0.446 nan 8.150 nan 0.000 0.493 1084 Q N -0.141 119.617 119.800 -0.071 0.000 2.214 1084 Q HA 0.662 5.006 4.340 0.007 0.000 0.251 1084 Q C -1.171 174.960 176.000 0.218 0.000 0.936 1084 Q CA -0.119 55.689 55.803 0.008 0.000 0.894 1084 Q CB 1.476 30.197 28.738 -0.029 0.000 1.252 1084 Q HN 0.575 nan 8.270 nan 0.000 0.448 1085 I N 1.181 121.905 120.570 0.256 0.000 2.412 1085 I HA 0.259 4.433 4.170 0.007 0.000 0.296 1085 I C -0.792 175.562 176.117 0.395 0.000 0.987 1085 I CA -0.669 60.820 61.300 0.316 0.000 1.180 1085 I CB 0.899 38.996 38.000 0.162 0.000 1.340 1085 I HN 0.512 nan 8.210 nan 0.000 0.455 1086 F N 7.162 127.208 119.950 0.159 0.000 2.519 1086 F HA 0.254 4.785 4.527 0.006 0.000 0.375 1086 F C -0.825 175.056 175.800 0.134 0.000 1.084 1086 F CA 0.104 58.056 58.000 -0.079 0.000 1.147 1086 F CB -0.081 38.812 39.000 -0.179 0.000 1.088 1086 F HN 0.204 nan 8.300 nan 0.000 0.555 1087 F N 5.041 124.707 119.950 -0.472 0.000 2.507 1087 F HA 0.734 5.265 4.527 0.006 0.000 0.328 1087 F C -0.156 175.382 175.800 -0.436 0.000 1.136 1087 F CA -0.746 57.066 58.000 -0.314 0.000 0.930 1087 F CB 1.528 40.446 39.000 -0.136 0.000 1.166 1087 F HN 0.603 nan 8.300 nan 0.000 0.436 1088 G N 4.817 113.220 108.800 -0.663 0.000 2.547 1088 G HA2 0.479 4.443 3.960 0.007 0.000 0.291 1088 G HA3 0.479 4.443 3.960 0.007 0.000 0.291 1088 G C -3.448 171.211 174.900 -0.401 0.000 1.471 1088 G CA -1.246 43.537 45.100 -0.529 0.000 0.798 1088 G HN 0.272 nan 8.290 nan 0.000 0.504 1089 P HA 0.443 nan 4.420 nan 0.000 0.269 1089 P C -0.497 176.767 177.300 -0.060 0.000 1.209 1089 P CA 0.162 63.168 63.100 -0.157 0.000 0.776 1089 P CB 1.127 32.752 31.700 -0.124 0.000 0.876 1090 T N 1.260 115.845 114.554 0.052 0.000 3.193 1090 T HA 0.137 4.491 4.350 0.007 0.000 0.332 1090 T C -1.261 173.597 174.700 0.263 0.000 1.208 1090 T CA -0.311 61.867 62.100 0.129 0.000 1.080 1090 T CB 0.325 69.297 68.868 0.173 0.000 1.180 1090 T HN 0.147 nan 8.240 nan 0.000 0.469 1091 Y N 2.974 123.301 120.300 0.045 0.000 2.544 1091 Y HA 0.376 4.931 4.550 0.007 0.000 0.330 1091 Y C -0.912 175.050 175.900 0.104 0.000 1.136 1091 Y CA -0.424 57.727 58.100 0.084 0.000 1.417 1091 Y CB 0.056 38.523 38.460 0.010 0.000 1.229 1091 Y HN 0.581 nan 8.280 nan 0.000 0.532 1092 Y N 4.559 124.812 120.300 -0.078 0.000 2.409 1092 Y HA 0.323 4.877 4.550 0.007 0.000 0.343 1092 Y C -0.429 175.384 175.900 -0.145 0.000 0.973 1092 Y CA -0.868 57.217 58.100 -0.025 0.000 1.064 1092 Y CB 1.552 40.122 38.460 0.182 0.000 1.207 1092 Y HN 0.508 nan 8.280 nan 0.000 0.452 1093 Q N 3.460 123.194 119.800 -0.111 0.000 2.245 1093 Q HA 0.491 4.835 4.340 0.007 0.000 0.256 1093 Q C -0.793 175.098 176.000 -0.182 0.000 0.942 1093 Q CA -1.209 54.511 55.803 -0.139 0.000 0.896 1093 Q CB 2.420 31.092 28.738 -0.109 0.000 1.272 1093 Q HN 0.674 nan 8.270 nan 0.000 0.442 1094 R N 3.450 123.760 120.500 -0.316 0.000 2.254 1094 R HA 0.442 4.786 4.340 0.007 0.000 0.318 1094 R C -1.068 175.047 176.300 -0.308 0.000 1.031 1094 R CA -0.348 55.433 56.100 -0.532 0.000 0.905 1094 R CB 0.566 30.578 30.300 -0.480 0.000 1.050 1094 R HN 0.690 nan 8.270 nan 0.000 0.456 1095 L N 4.696 125.704 121.223 -0.359 0.000 2.334 1095 L HA 0.541 4.885 4.340 0.007 0.000 0.275 1095 L C 0.389 177.170 176.870 -0.149 0.000 1.036 1095 L CA -1.407 53.350 54.840 -0.138 0.000 0.807 1095 L CB 1.532 43.553 42.059 -0.062 0.000 1.231 1095 L HN 0.733 nan 8.230 nan 0.000 0.438 1096 R N 0.970 121.389 120.500 -0.135 0.000 2.861 1096 R HA 0.176 4.520 4.340 0.007 0.000 0.268 1096 R C -0.673 175.360 176.300 -0.446 0.000 1.027 1096 R CA -0.328 55.593 56.100 -0.297 0.000 1.163 1096 R CB -0.082 29.845 30.300 -0.621 0.000 1.060 1096 R HN 0.694 nan 8.270 nan 0.000 0.483 1097 H N -1.007 117.973 119.070 -0.148 0.000 3.489 1097 H HA -0.073 4.486 4.556 0.006 0.000 0.358 1097 H C -1.090 174.152 175.328 -0.144 0.000 1.379 1097 H CA 0.222 56.186 56.048 -0.140 0.000 1.434 1097 H CB -1.614 28.066 29.762 -0.137 0.000 1.395 1097 H HN 0.611 nan 8.280 nan 0.000 0.472 1098 M N 0.281 119.849 119.600 -0.054 0.000 2.528 1098 M HA 0.342 4.825 4.480 0.007 0.000 0.321 1098 M C 1.865 178.137 176.300 -0.047 0.000 1.153 1098 M CA -0.903 54.355 55.300 -0.069 0.000 0.951 1098 M CB 2.258 34.792 32.600 -0.110 0.000 1.705 1098 M HN -0.002 nan 8.290 nan 0.000 0.451 1099 V N -0.806 119.091 119.914 -0.028 0.000 2.407 1099 V HA -0.177 3.947 4.120 0.007 0.000 0.248 1099 V C 0.952 177.033 176.094 -0.023 0.000 1.055 1099 V CA 1.533 63.825 62.300 -0.015 0.000 1.049 1099 V CB -0.673 31.149 31.823 -0.003 0.000 0.662 1099 V HN 0.826 nan 8.190 nan 0.000 0.455 1100 D N 0.502 120.878 120.400 -0.040 0.000 2.338 1100 D HA -0.010 4.634 4.640 0.007 0.000 0.239 1100 D C 0.980 177.244 176.300 -0.060 0.000 1.095 1100 D CA 0.550 54.526 54.000 -0.041 0.000 0.888 1100 D CB -0.011 40.762 40.800 -0.046 0.000 0.899 1100 D HN 0.554 nan 8.370 nan 0.000 0.525 1101 D N -0.704 119.653 120.400 -0.071 0.000 2.407 1101 D HA 0.031 4.675 4.640 0.007 0.000 0.208 1101 D C 1.707 177.985 176.300 -0.037 0.000 1.083 1101 D CA 0.118 54.071 54.000 -0.078 0.000 0.844 1101 D CB 0.627 41.348 40.800 -0.132 0.000 0.967 1101 D HN 0.114 nan 8.370 nan 0.000 0.506 1102 K N 0.282 120.674 120.400 -0.013 0.000 2.286 1102 K HA 0.155 4.479 4.320 0.007 0.000 0.203 1102 K C 1.143 177.768 176.600 0.043 0.000 1.078 1102 K CA -0.368 55.926 56.287 0.011 0.000 0.957 1102 K CB 0.719 33.226 32.500 0.012 0.000 1.018 1102 K HN 0.032 nan 8.250 nan 0.000 0.484 1103 I N 4.148 124.741 120.570 0.037 0.000 3.298 1103 I HA -0.241 3.933 4.170 0.007 0.000 0.327 1103 I C -0.087 176.101 176.117 0.119 0.000 1.247 1103 I CA 1.352 62.685 61.300 0.054 0.000 1.416 1103 I CB -0.840 37.177 38.000 0.029 0.000 1.360 1103 I HN 0.300 nan 8.210 nan 0.000 0.507 1104 H N 5.790 124.860 119.070 0.000 0.000 2.961 1104 H HA 0.791 5.350 4.556 0.006 0.000 0.371 1104 H C -1.331 174.002 175.328 0.007 0.000 1.190 1104 H CA -0.496 55.554 56.048 0.004 0.000 1.138 1104 H CB 1.885 31.650 29.762 0.004 0.000 1.816 1104 H HN 0.587 nan 8.280 nan 0.000 0.551 1105 A N 4.132 126.492 122.820 -0.767 0.000 2.517 1105 A HA 0.627 4.951 4.320 0.007 0.000 0.297 1105 A C -1.414 175.852 177.584 -0.531 0.000 1.050 1105 A CA -0.751 50.964 52.037 -0.536 0.000 0.694 1105 A CB 1.423 20.294 19.000 -0.214 0.000 1.277 1105 A HN 0.797 nan 8.150 nan 0.000 0.400 1106 R N 1.636 121.933 120.500 -0.337 0.000 2.538 1106 R HA 0.706 5.050 4.340 0.007 0.000 0.292 1106 R C -1.088 175.166 176.300 -0.077 0.000 1.008 1106 R CA -0.051 55.957 56.100 -0.155 0.000 0.896 1106 R CB 1.797 32.060 30.300 -0.061 0.000 1.187 1106 R HN 1.301 nan 8.270 nan 0.000 0.440 1107 A N 5.688 128.478 122.820 -0.051 0.000 3.105 1107 A HA 0.380 4.704 4.320 0.007 0.000 0.336 1107 A C -0.473 177.094 177.584 -0.028 0.000 1.042 1107 A CA -0.502 51.512 52.037 -0.039 0.000 0.851 1107 A CB 0.194 19.172 19.000 -0.037 0.000 1.068 1107 A HN 0.973 nan 8.150 nan 0.000 0.477 1108 R N -0.144 120.342 120.500 -0.023 0.000 1.094 1108 R HA -0.023 4.321 4.340 0.007 0.000 0.425 1108 R C -0.225 176.073 176.300 -0.004 0.000 1.354 1108 R CA 0.961 57.051 56.100 -0.016 0.000 1.170 1108 R CB -1.109 29.177 30.300 -0.023 0.000 3.409 1108 R HN 1.819 nan 8.270 nan 0.000 0.505 1109 G N 3.484 112.286 108.800 0.004 0.000 2.677 1109 G HA2 0.636 4.600 3.960 0.007 0.000 0.283 1109 G HA3 0.636 4.600 3.960 0.007 0.000 0.283 1109 G C -2.909 171.996 174.900 0.009 0.000 1.221 1109 G CA -0.468 44.641 45.100 0.016 0.000 0.851 1109 G HN 0.542 nan 8.290 nan 0.000 0.504 1110 P HA 0.265 nan 4.420 nan 0.000 0.266 1110 P C -0.616 176.679 177.300 -0.008 0.000 1.195 1110 P CA 0.500 63.604 63.100 0.007 0.000 0.768 1110 P CB 0.666 32.378 31.700 0.020 0.000 0.838 1111 M N 1.055 120.639 119.600 -0.027 0.000 2.591 1111 M HA 0.308 4.792 4.480 0.007 0.000 0.306 1111 M C 0.442 176.710 176.300 -0.054 0.000 1.190 1111 M CA -0.889 54.382 55.300 -0.047 0.000 0.889 1111 M CB 1.925 34.477 32.600 -0.078 0.000 1.728 1111 M HN 0.323 nan 8.290 nan 0.000 0.458 1112 Q N 0.514 120.280 119.800 -0.056 0.000 2.417 1112 Q HA 0.224 4.568 4.340 0.007 0.000 0.241 1112 Q C 1.125 177.071 176.000 -0.090 0.000 1.008 1112 Q CA -0.383 55.387 55.803 -0.055 0.000 0.901 1112 Q CB 0.918 29.632 28.738 -0.039 0.000 1.259 1112 Q HN 0.647 nan 8.270 nan 0.000 0.489 1113 V N -0.308 119.561 119.914 -0.075 0.000 2.407 1113 V HA -0.180 3.944 4.120 0.007 0.000 0.245 1113 V C 1.895 177.919 176.094 -0.116 0.000 1.041 1113 V CA 0.984 63.222 62.300 -0.104 0.000 1.040 1113 V CB -0.729 31.056 31.823 -0.063 0.000 0.671 1113 V HN 0.641 nan 8.190 nan 0.000 0.455 1114 L N 1.998 123.191 121.223 -0.049 0.000 2.046 1114 L HA -0.112 4.232 4.340 0.007 0.000 0.208 1114 L C 2.493 179.398 176.870 0.058 0.000 1.077 1114 L CA 2.859 57.705 54.840 0.010 0.000 0.747 1114 L CB -0.696 41.374 42.059 0.018 0.000 0.896 1114 L HN 0.660 nan 8.230 nan 0.000 0.432 1115 T N -4.978 109.575 114.554 -0.003 0.000 3.001 1115 T HA 0.125 4.478 4.350 0.007 0.000 0.251 1115 T C 1.037 175.677 174.700 -0.099 0.000 1.040 1115 T CA -0.091 62.034 62.100 0.043 0.000 0.985 1115 T CB -0.113 68.769 68.868 0.023 0.000 1.011 1115 T HN 0.384 nan 8.240 nan 0.000 0.509 1116 R N 1.293 121.621 120.500 -0.287 0.000 3.741 1116 R HA -0.160 4.184 4.340 0.007 0.000 0.292 1116 R C -0.264 175.925 176.300 -0.184 0.000 1.176 1116 R CA 0.701 56.581 56.100 -0.368 0.000 0.794 1116 R CB -2.124 27.713 30.300 -0.773 0.000 1.213 1116 R HN 0.661 nan 8.270 nan 0.000 0.494 1117 Q N -0.054 119.687 119.800 -0.099 0.000 2.169 1117 Q HA 0.426 4.770 4.340 0.007 0.000 0.234 1117 Q C -2.283 173.691 176.000 -0.042 0.000 0.980 1117 Q CA -2.104 53.669 55.803 -0.050 0.000 0.941 1117 Q CB 0.925 29.651 28.738 -0.019 0.000 1.199 1117 Q HN -0.096 nan 8.270 nan 0.000 0.496 1118 P HA -0.028 nan 4.420 nan 0.000 0.272 1118 P C -0.682 176.616 177.300 -0.003 0.000 1.240 1118 P CA -0.239 62.855 63.100 -0.009 0.000 0.791 1118 P CB 0.451 32.156 31.700 0.008 0.000 0.978 1119 V N -1.166 118.749 119.914 0.001 0.000 3.214 1119 V HA 0.378 4.502 4.120 0.007 0.000 0.306 1119 V C 0.039 176.136 176.094 0.004 0.000 1.078 1119 V CA -0.505 61.794 62.300 -0.001 0.000 1.077 1119 V CB 0.736 32.558 31.823 -0.001 0.000 1.121 1119 V HN 0.610 nan 8.190 nan 0.000 0.468 1120 E N 1.488 121.685 120.200 -0.005 0.000 2.191 1120 E HA 0.642 4.996 4.350 0.007 0.000 0.278 1120 E C -0.094 176.485 176.600 -0.035 0.000 0.972 1120 E CA -0.000 56.394 56.400 -0.009 0.000 0.804 1120 E CB 1.146 30.842 29.700 -0.007 0.000 1.110 1120 E HN 2.029 nan 8.360 nan 0.000 0.394 1121 G N 2.986 111.750 108.800 -0.060 0.000 2.770 1121 G HA2 -0.211 3.753 3.960 0.007 0.000 0.686 1121 G HA3 -0.211 3.753 3.960 0.007 0.000 0.686 1121 G C 0.182 174.933 174.900 -0.248 0.000 1.180 1121 G CA -0.149 44.882 45.100 -0.114 0.000 0.767 1121 G HN 0.796 nan 8.290 nan 0.000 0.646 1122 R N 0.089 120.383 120.500 -0.342 0.000 2.090 1122 R HA 0.019 4.363 4.340 0.007 0.000 0.228 1122 R C 2.535 178.653 176.300 -0.302 0.000 1.110 1122 R CA 2.299 58.026 56.100 -0.622 0.000 0.973 1122 R CB -0.481 29.529 30.300 -0.485 0.000 0.869 1122 R HN 0.873 nan 8.270 nan 0.000 0.440 1123 S N 0.219 115.825 115.700 -0.157 0.000 2.465 1123 S HA -0.104 4.370 4.470 0.007 0.000 0.241 1123 S C 1.850 176.422 174.600 -0.046 0.000 1.000 1123 S CA 1.199 59.356 58.200 -0.071 0.000 0.964 1123 S CB -0.174 62.998 63.200 -0.046 0.000 0.763 1123 S HN 0.443 nan 8.310 nan 0.000 0.512 1124 R N 0.738 121.198 120.500 -0.066 0.000 2.437 1124 R HA 0.120 4.464 4.340 0.007 0.000 0.257 1124 R C -0.611 175.681 176.300 -0.012 0.000 0.927 1124 R CA 0.473 56.557 56.100 -0.028 0.000 1.078 1124 R CB 0.225 30.510 30.300 -0.025 0.000 1.161 1124 R HN 0.303 nan 8.270 nan 0.000 0.529 1125 D N -0.822 119.552 120.400 -0.043 0.000 2.778 1125 D HA -0.115 4.529 4.640 0.007 0.000 0.246 1125 D C -0.566 175.801 176.300 0.112 0.000 1.107 1125 D CA 1.034 55.072 54.000 0.064 0.000 0.732 1125 D CB -0.994 39.871 40.800 0.109 0.000 1.055 1125 D HN 0.423 nan 8.370 nan 0.000 0.429 1126 G N -0.607 108.222 108.800 0.049 0.000 2.601 1126 G HA2 0.760 4.724 3.960 0.007 0.000 0.317 1126 G HA3 0.760 4.724 3.960 0.007 0.000 0.317 1126 G C 0.532 175.560 174.900 0.212 0.000 1.246 1126 G CA -0.329 44.828 45.100 0.096 0.000 1.012 1126 G HN 0.493 nan 8.290 nan 0.000 0.494 1127 G N -1.522 107.351 108.800 0.121 0.000 2.522 1127 G HA2 0.542 4.506 3.960 0.007 0.000 0.304 1127 G HA3 0.542 4.506 3.960 0.007 0.000 0.304 1127 G C -0.459 174.505 174.900 0.107 0.000 1.210 1127 G CA -0.762 44.406 45.100 0.113 0.000 0.960 1127 G HN 0.564 nan 8.290 nan 0.000 0.497 1128 L N 0.101 121.387 121.223 0.106 0.000 2.322 1128 L HA 0.472 4.816 4.340 0.007 0.000 0.279 1128 L C 0.927 177.864 176.870 0.113 0.000 1.036 1128 L CA -0.875 54.029 54.840 0.106 0.000 0.807 1128 L CB 1.624 43.751 42.059 0.113 0.000 1.226 1128 L HN 0.450 nan 8.230 nan 0.000 0.433 1129 R N 1.284 121.840 120.500 0.094 0.000 2.522 1129 R HA 0.070 4.414 4.340 0.007 0.000 0.284 1129 R C -0.908 175.489 176.300 0.162 0.000 1.032 1129 R CA -0.116 56.045 56.100 0.101 0.000 1.049 1129 R CB 0.329 30.662 30.300 0.054 0.000 0.956 1129 R HN 0.356 nan 8.270 nan 0.000 0.422 1130 F N 4.196 124.156 119.950 0.016 0.000 2.351 1130 F HA 0.328 4.859 4.527 0.007 0.000 0.362 1130 F C 0.565 176.377 175.800 0.021 0.000 1.131 1130 F CA -0.329 57.685 58.000 0.024 0.000 1.187 1130 F CB 0.544 39.552 39.000 0.013 0.000 1.434 1130 F HN 0.578 nan 8.300 nan 0.000 0.553 1131 G N 3.586 112.294 108.800 -0.154 0.000 2.539 1131 G HA2 0.092 4.056 3.960 0.007 0.000 0.258 1131 G HA3 0.092 4.056 3.960 0.007 0.000 0.258 1131 G C 0.717 175.526 174.900 -0.151 0.000 1.202 1131 G CA -0.392 44.643 45.100 -0.109 0.000 0.851 1131 G HN 0.711 nan 8.290 nan 0.000 0.556 1132 E N 0.363 120.521 120.200 -0.071 0.000 2.147 1132 E HA -0.235 4.119 4.350 0.007 0.000 0.199 1132 E C 2.418 178.962 176.600 -0.093 0.000 1.005 1132 E CA 1.392 57.758 56.400 -0.057 0.000 0.810 1132 E CB -0.118 29.565 29.700 -0.029 0.000 0.736 1132 E HN 0.549 nan 8.360 nan 0.000 0.460 1133 M N 0.117 119.652 119.600 -0.108 0.000 2.159 1133 M HA -0.182 4.302 4.480 0.007 0.000 0.263 1133 M C 1.737 177.939 176.300 -0.162 0.000 1.063 1133 M CA 1.356 56.590 55.300 -0.109 0.000 1.110 1133 M CB 0.068 32.615 32.600 -0.090 0.000 1.374 1133 M HN -0.024 nan 8.290 nan 0.000 0.411 1134 E N -0.418 119.608 120.200 -0.290 0.000 2.112 1134 E HA -0.107 4.247 4.350 0.007 0.000 0.190 1134 E C 1.864 178.187 176.600 -0.462 0.000 0.979 1134 E CA 0.735 56.851 56.400 -0.473 0.000 0.814 1134 E CB -0.324 28.852 29.700 -0.873 0.000 0.762 1134 E HN 0.323 nan 8.360 nan 0.000 0.460 1135 R N 1.001 121.283 120.500 -0.364 0.000 2.105 1135 R HA -0.180 4.164 4.340 0.007 0.000 0.239 1135 R C 0.854 177.167 176.300 0.022 0.000 1.135 1135 R CA 1.710 57.794 56.100 -0.026 0.000 0.967 1135 R CB -0.114 30.214 30.300 0.047 0.000 0.861 1135 R HN 0.148 nan 8.270 nan 0.000 0.442 1136 D N 0.211 120.591 120.400 -0.035 0.000 2.117 1136 D HA -0.140 4.504 4.640 0.007 0.000 0.198 1136 D C 2.023 178.305 176.300 -0.031 0.000 0.982 1136 D CA 1.190 55.176 54.000 -0.024 0.000 0.828 1136 D CB -0.630 40.144 40.800 -0.044 0.000 0.967 1136 D HN 0.295 nan 8.370 nan 0.000 0.464 1137 C N 0.891 120.161 119.300 -0.050 0.000 2.413 1137 C HA -0.133 4.331 4.460 0.007 0.000 0.276 1137 C C 2.679 177.683 174.990 0.023 0.000 1.248 1137 C CA 0.580 59.562 59.018 -0.061 0.000 1.742 1137 C CB -0.653 27.072 27.740 -0.026 0.000 2.017 1137 C HN 0.343 nan 8.230 nan 0.000 0.481 1138 M N 0.075 119.775 119.600 0.166 0.000 2.200 1138 M HA 0.008 4.492 4.480 0.007 0.000 0.265 1138 M C 1.941 178.359 176.300 0.196 0.000 1.066 1138 M CA 1.320 56.794 55.300 0.290 0.000 1.127 1138 M CB -1.302 31.564 32.600 0.443 0.000 1.379 1138 M HN 0.358 nan 8.290 nan 0.000 0.420 1139 I N 0.378 121.023 120.570 0.125 0.000 2.163 1139 I HA -0.283 3.891 4.170 0.007 0.000 0.243 1139 I C 2.573 178.713 176.117 0.039 0.000 1.085 1139 I CA 1.325 62.674 61.300 0.081 0.000 1.347 1139 I CB -0.544 37.490 38.000 0.055 0.000 1.044 1139 I HN 0.234 nan 8.210 nan 0.000 0.408 1140 A N 0.058 122.863 122.820 -0.024 0.000 1.908 1140 A HA -0.294 4.030 4.320 0.007 0.000 0.218 1140 A C 2.061 179.601 177.584 -0.074 0.000 1.181 1140 A CA 2.019 54.004 52.037 -0.086 0.000 0.627 1140 A CB -1.259 17.637 19.000 -0.172 0.000 0.818 1140 A HN 0.506 nan 8.150 nan 0.000 0.445 1141 H N -1.518 117.561 119.070 0.016 0.000 2.456 1141 H HA 0.210 4.770 4.556 0.007 0.000 0.296 1141 H C 1.556 176.892 175.328 0.013 0.000 1.079 1141 H CA 0.855 56.907 56.048 0.005 0.000 1.322 1141 H CB 0.010 29.768 29.762 -0.008 0.000 1.388 1141 H HN 0.732 nan 8.280 nan 0.000 0.538 1142 G N -0.164 108.724 108.800 0.146 0.000 2.204 1142 G HA2 -0.207 3.757 3.960 0.007 0.000 0.244 1142 G HA3 -0.207 3.757 3.960 0.007 0.000 0.244 1142 G C 0.076 175.040 174.900 0.107 0.000 1.062 1142 G CA 0.105 45.266 45.100 0.101 0.000 0.798 1142 G HN 0.626 nan 8.290 nan 0.000 0.496 1143 A N -0.224 122.680 122.820 0.140 0.000 2.910 1143 A HA 0.852 5.176 4.320 0.007 0.000 0.316 1143 A C 1.367 179.056 177.584 0.174 0.000 1.493 1143 A CA 0.890 53.005 52.037 0.130 0.000 1.150 1143 A CB 0.275 19.329 19.000 0.091 0.000 1.159 1143 A HN 1.721 nan 8.150 nan 0.000 0.526 1144 A N 0.907 123.803 122.820 0.126 0.000 1.935 1144 A HA 0.058 4.382 4.320 0.007 0.000 0.214 1144 A C 2.188 179.835 177.584 0.106 0.000 1.178 1144 A CA 1.705 53.810 52.037 0.114 0.000 0.640 1144 A CB -0.343 18.704 19.000 0.078 0.000 0.825 1144 A HN 0.614 nan 8.150 nan 0.000 0.447 1145 S N -0.935 114.827 115.700 0.103 0.000 2.423 1145 S HA -0.086 4.388 4.470 0.007 0.000 0.231 1145 S C 1.546 176.196 174.600 0.084 0.000 1.014 1145 S CA 1.305 59.551 58.200 0.076 0.000 0.965 1145 S CB -0.415 62.827 63.200 0.069 0.000 0.785 1145 S HN 0.644 nan 8.310 nan 0.000 0.495 1146 F N 1.724 121.672 119.950 -0.004 0.000 2.219 1146 F HA 0.192 4.723 4.527 0.006 0.000 0.294 1146 F C 1.833 177.606 175.800 -0.045 0.000 1.086 1146 F CA 0.691 58.675 58.000 -0.026 0.000 1.330 1146 F CB -0.192 38.803 39.000 -0.010 0.000 1.047 1146 F HN 0.069 nan 8.300 nan 0.000 0.495 1147 L N 0.722 122.028 121.223 0.139 0.000 2.131 1147 L HA -0.227 4.117 4.340 0.007 0.000 0.210 1147 L C 2.404 179.230 176.870 -0.073 0.000 1.092 1147 L CA 1.712 56.591 54.840 0.065 0.000 0.759 1147 L CB -0.572 41.601 42.059 0.189 0.000 0.903 1147 L HN 0.260 nan 8.230 nan 0.000 0.435 1148 K N 0.281 120.650 120.400 -0.053 0.000 1.973 1148 K HA -0.272 4.051 4.320 0.007 0.000 0.210 1148 K C 1.960 178.471 176.600 -0.148 0.000 1.045 1148 K CA 1.782 58.029 56.287 -0.066 0.000 0.937 1148 K CB -0.222 32.265 32.500 -0.022 0.000 0.721 1148 K HN 0.288 nan 8.250 nan 0.000 0.438 1149 E N 0.306 120.393 120.200 -0.190 0.000 2.114 1149 E HA -0.269 4.085 4.350 0.007 0.000 0.199 1149 E C 2.026 178.406 176.600 -0.366 0.000 1.008 1149 E CA 1.215 57.466 56.400 -0.247 0.000 0.810 1149 E CB 0.033 29.587 29.700 -0.244 0.000 0.739 1149 E HN 0.144 nan 8.360 nan 0.000 0.456 1150 R N -0.275 119.867 120.500 -0.597 0.000 2.152 1150 R HA -0.084 4.260 4.340 0.007 0.000 0.232 1150 R C 1.402 177.451 176.300 -0.419 0.000 1.117 1150 R CA 0.663 56.344 56.100 -0.699 0.000 0.981 1150 R CB -0.221 29.353 30.300 -1.210 0.000 0.870 1150 R HN 0.260 nan 8.270 nan 0.000 0.451 1151 L N -0.725 120.337 121.223 -0.268 0.000 2.769 1151 L HA 0.223 4.567 4.340 0.007 0.000 0.240 1151 L C 1.190 178.007 176.870 -0.088 0.000 1.163 1151 L CA 0.437 55.199 54.840 -0.130 0.000 0.962 1151 L CB 0.265 42.290 42.059 -0.056 0.000 1.258 1151 L HN -0.007 nan 8.230 nan 0.000 0.513 1152 M N -2.133 117.397 119.600 -0.116 0.000 2.199 1152 M HA 0.175 4.659 4.480 0.007 0.000 0.191 1152 M C 1.448 177.694 176.300 -0.091 0.000 1.744 1152 M CA 0.500 55.753 55.300 -0.079 0.000 1.005 1152 M CB 0.114 32.673 32.600 -0.068 0.000 1.478 1152 M HN -0.080 nan 8.290 nan 0.000 0.585 1153 E N 1.663 121.792 120.200 -0.118 0.000 2.112 1153 E HA 0.230 4.584 4.350 0.007 0.000 0.190 1153 E C 1.036 177.573 176.600 -0.104 0.000 0.979 1153 E CA 0.721 57.058 56.400 -0.105 0.000 0.814 1153 E CB -0.127 29.512 29.700 -0.102 0.000 0.762 1153 E HN 0.445 nan 8.360 nan 0.000 0.460 1154 A N -0.024 122.711 122.820 -0.141 0.000 2.256 1154 A HA 0.365 4.689 4.320 0.007 0.000 0.276 1154 A C 1.147 178.672 177.584 -0.097 0.000 1.259 1154 A CA 0.250 52.212 52.037 -0.125 0.000 0.813 1154 A CB -0.070 18.825 19.000 -0.176 0.000 1.200 1154 A HN 0.121 nan 8.150 nan 0.000 0.506 1155 S N -1.036 114.619 115.700 -0.074 0.000 3.908 1155 S HA -0.295 4.179 4.470 0.007 0.000 0.571 1155 S C 0.572 175.149 174.600 -0.038 0.000 2.185 1155 S CA 2.255 60.426 58.200 -0.049 0.000 4.153 1155 S CB -1.100 62.073 63.200 -0.044 0.000 0.611 1155 S HN 1.508 nan 8.310 nan 0.000 0.771 1156 D N 1.113 121.503 120.400 -0.017 0.000 2.643 1156 D HA 0.599 5.243 4.640 0.007 0.000 0.244 1156 D C 0.112 176.457 176.300 0.074 0.000 1.257 1156 D CA 0.539 54.547 54.000 0.013 0.000 0.831 1156 D CB -0.319 40.500 40.800 0.032 0.000 1.043 1156 D HN 0.805 nan 8.370 nan 0.000 0.488 1157 A N 0.451 123.298 122.820 0.044 0.000 2.624 1157 A HA 0.315 4.639 4.320 0.007 0.000 0.231 1157 A C -0.445 177.263 177.584 0.205 0.000 1.034 1157 A CA 0.374 52.450 52.037 0.066 0.000 0.754 1157 A CB -0.197 18.785 19.000 -0.031 0.000 0.953 1157 A HN 0.439 nan 8.150 nan 0.000 0.509 1158 F N 1.613 121.570 119.950 0.013 0.000 2.672 1158 F HA 0.526 5.056 4.527 0.006 0.000 0.311 1158 F C -0.516 175.345 175.800 0.102 0.000 1.113 1158 F CA -0.845 57.202 58.000 0.078 0.000 0.996 1158 F CB 1.435 40.542 39.000 0.178 0.000 1.286 1158 F HN 0.653 nan 8.300 nan 0.000 0.441 1159 R N 5.123 125.286 120.500 -0.561 0.000 2.387 1159 R HA 0.786 5.130 4.340 0.007 0.000 0.314 1159 R C -1.911 173.863 176.300 -0.876 0.000 0.958 1159 R CA -0.295 55.545 56.100 -0.433 0.000 0.846 1159 R CB 1.290 31.508 30.300 -0.137 0.000 1.147 1159 R HN 0.559 nan 8.270 nan 0.000 0.447 1160 V N 2.538 122.092 119.914 -0.599 0.000 3.155 1160 V HA 0.534 4.658 4.120 0.007 0.000 0.313 1160 V C -0.435 175.341 176.094 -0.529 0.000 1.162 1160 V CA -1.050 60.953 62.300 -0.495 0.000 1.048 1160 V CB 2.258 33.944 31.823 -0.228 0.000 1.092 1160 V HN 0.712 nan 8.190 nan 0.000 0.447 1161 H N 1.674 120.680 119.070 -0.106 0.000 2.505 1161 H HA 0.603 5.163 4.556 0.006 0.000 0.338 1161 H C -1.171 174.107 175.328 -0.084 0.000 1.057 1161 H CA -0.468 55.516 56.048 -0.106 0.000 1.202 1161 H CB 1.979 31.677 29.762 -0.106 0.000 1.466 1161 H HN 0.331 nan 8.280 nan 0.000 0.499 1162 I N 1.658 122.240 120.570 0.021 0.000 2.562 1162 I HA 0.082 4.256 4.170 0.007 0.000 0.301 1162 I C 0.794 176.886 176.117 -0.041 0.000 1.003 1162 I CA -0.704 60.581 61.300 -0.025 0.000 1.127 1162 I CB 1.700 39.671 38.000 -0.048 0.000 1.304 1162 I HN 0.519 nan 8.210 nan 0.000 0.446 1163 C N 4.279 123.539 119.300 -0.066 0.000 2.576 1163 C HA 0.408 4.872 4.460 0.007 0.000 0.401 1163 C C 1.827 176.774 174.990 -0.072 0.000 1.314 1163 C CA -0.143 58.830 59.018 -0.074 0.000 1.855 1163 C CB -0.254 27.450 27.740 -0.059 0.000 2.537 1163 C HN 1.030 nan 8.230 nan 0.000 0.578 1164 G N 5.310 114.078 108.800 -0.052 0.000 2.625 1164 G HA2 -0.042 3.922 3.960 0.007 0.000 0.214 1164 G HA3 -0.042 3.922 3.960 0.007 0.000 0.214 1164 G C 1.069 176.018 174.900 0.082 0.000 1.132 1164 G CA 0.736 45.864 45.100 0.045 0.000 0.782 1164 G HN 0.725 nan 8.290 nan 0.000 0.538 1165 I N 0.974 121.563 120.570 0.031 0.000 3.700 1165 I HA 0.014 4.188 4.170 0.007 0.000 0.232 1165 I C 3.071 179.233 176.117 0.075 0.000 1.033 1165 I CA 0.706 62.052 61.300 0.078 0.000 1.525 1165 I CB -1.505 36.518 38.000 0.037 0.000 1.411 1165 I HN 0.291 nan 8.210 nan 0.000 0.458 1166 C N 0.923 120.223 119.300 0.001 0.000 2.457 1166 C HA 0.358 4.822 4.460 0.007 0.000 0.278 1166 C C 1.921 176.835 174.990 -0.128 0.000 1.309 1166 C CA 0.226 59.237 59.018 -0.012 0.000 1.735 1166 C CB -0.973 26.759 27.740 -0.014 0.000 1.992 1166 C HN 0.849 nan 8.230 nan 0.000 0.493 1167 G N 0.459 109.113 108.800 -0.244 0.000 2.159 1167 G HA2 -0.148 3.816 3.960 0.007 0.000 0.227 1167 G HA3 -0.148 3.816 3.960 0.007 0.000 0.227 1167 G C -0.192 174.524 174.900 -0.305 0.000 0.986 1167 G CA 0.234 45.056 45.100 -0.463 0.000 0.651 1167 G HN 0.625 nan 8.290 nan 0.000 0.523 1168 L N -0.335 120.780 121.223 -0.180 0.000 2.365 1168 L HA 0.726 5.070 4.340 0.007 0.000 0.267 1168 L C 1.215 178.037 176.870 -0.080 0.000 1.033 1168 L CA -1.286 53.477 54.840 -0.129 0.000 0.802 1168 L CB 0.877 42.890 42.059 -0.076 0.000 1.267 1168 L HN 0.004 nan 8.230 nan 0.000 0.457 1169 M N 0.645 120.222 119.600 -0.039 0.000 3.436 1169 M HA 0.126 4.610 4.480 0.007 0.000 0.240 1169 M C 0.335 176.650 176.300 0.025 0.000 1.469 1169 M CA 0.103 55.408 55.300 0.008 0.000 1.622 1169 M CB -0.177 32.450 32.600 0.044 0.000 1.098 1169 M HN 0.605 nan 8.290 nan 0.000 0.568 1170 T N -0.771 113.790 114.554 0.012 0.000 3.023 1170 T HA 0.123 4.477 4.350 0.007 0.000 0.249 1170 T C 0.816 175.535 174.700 0.032 0.000 1.050 1170 T CA -0.067 62.045 62.100 0.020 0.000 1.088 1170 T CB 0.336 69.206 68.868 0.004 0.000 0.946 1170 T HN 0.336 nan 8.240 nan 0.000 0.480 1171 V N 2.721 122.655 119.914 0.032 0.000 2.872 1171 V HA -0.030 4.094 4.120 0.007 0.000 0.302 1171 V C 0.292 176.422 176.094 0.060 0.000 1.166 1171 V CA 0.579 62.902 62.300 0.038 0.000 1.298 1171 V CB -0.194 31.643 31.823 0.024 0.000 0.894 1171 V HN 0.356 nan 8.190 nan 0.000 0.509 1172 I N 3.655 124.260 120.570 0.058 0.000 2.479 1172 I HA 0.407 4.581 4.170 0.007 0.000 0.279 1172 I C 0.707 176.868 176.117 0.075 0.000 1.102 1172 I CA -0.097 61.240 61.300 0.062 0.000 1.196 1172 I CB 0.808 38.834 38.000 0.042 0.000 1.427 1172 I HN 0.692 nan 8.210 nan 0.000 0.503 1173 A N 4.610 127.478 122.820 0.080 0.000 2.545 1173 A HA 0.155 4.479 4.320 0.007 0.000 0.297 1173 A C 0.833 178.449 177.584 0.053 0.000 1.340 1173 A CA -0.232 51.868 52.037 0.105 0.000 1.016 1173 A CB -0.203 18.715 19.000 -0.137 0.000 1.122 1173 A HN 0.588 nan 8.150 nan 0.000 0.537 1174 K N 3.280 123.666 120.400 -0.024 0.000 3.233 1174 K HA 0.235 4.559 4.320 0.007 0.000 0.283 1174 K C 0.162 176.720 176.600 -0.070 0.000 1.209 1174 K CA -0.084 56.183 56.287 -0.033 0.000 1.197 1174 K CB -1.020 31.445 32.500 -0.059 0.000 1.431 1174 K HN 0.794 nan 8.250 nan 0.000 0.326 1175 L N 1.438 122.649 121.223 -0.019 0.000 2.558 1175 L HA -0.248 4.096 4.340 0.007 0.000 0.301 1175 L C 1.283 178.124 176.870 -0.048 0.000 1.267 1175 L CA 1.354 56.192 54.840 -0.003 0.000 0.854 1175 L CB -0.000 42.122 42.059 0.105 0.000 1.103 1175 L HN 0.904 nan 8.230 nan 0.000 0.522 1176 N N -0.496 118.160 118.700 -0.073 0.000 2.825 1176 N HA -0.290 4.454 4.740 0.007 0.000 0.206 1176 N C 0.743 176.100 175.510 -0.255 0.000 1.057 1176 N CA 1.808 54.774 53.050 -0.141 0.000 1.343 1176 N CB -1.021 37.381 38.487 -0.142 0.000 0.942 1176 N HN 0.771 nan 8.380 nan 0.000 0.562 1177 H N 0.104 119.100 119.070 -0.123 0.000 2.586 1177 H HA 0.272 4.833 4.556 0.007 0.000 0.273 1177 H C 0.545 175.736 175.328 -0.229 0.000 0.997 1177 H CA 0.672 56.635 56.048 -0.141 0.000 1.177 1177 H CB 0.112 29.802 29.762 -0.120 0.000 1.471 1177 H HN 0.424 nan 8.280 nan 0.000 0.538 1178 N N 0.834 119.375 118.700 -0.264 0.000 2.778 1178 N HA -0.203 4.541 4.740 0.007 0.000 0.249 1178 N C -0.450 174.573 175.510 -0.812 0.000 1.069 1178 N CA 0.670 53.394 53.050 -0.543 0.000 0.831 1178 N CB -1.050 37.289 38.487 -0.246 0.000 1.142 1178 N HN 0.521 nan 8.380 nan 0.000 0.573 1179 Q N -0.647 118.793 119.800 -0.601 0.000 2.279 1179 Q HA 0.342 4.686 4.340 0.007 0.000 0.256 1179 Q C 0.102 175.796 176.000 -0.510 0.000 0.937 1179 Q CA 0.151 55.695 55.803 -0.433 0.000 0.933 1179 Q CB 0.393 29.009 28.738 -0.204 0.000 1.189 1179 Q HN 0.362 nan 8.270 nan 0.000 0.417 1180 F N 0.898 120.805 119.950 -0.070 0.000 2.814 1180 F HA 0.131 4.662 4.527 0.006 0.000 0.326 1180 F C 0.181 175.932 175.800 -0.081 0.000 1.159 1180 F CA -0.660 57.278 58.000 -0.103 0.000 1.234 1180 F CB 0.876 39.801 39.000 -0.126 0.000 1.016 1180 F HN 0.437 nan 8.300 nan 0.000 0.510 1181 E N 1.029 121.278 120.200 0.081 0.000 2.708 1181 E HA -0.176 4.178 4.350 0.007 0.000 0.260 1181 E C -0.188 176.435 176.600 0.039 0.000 0.937 1181 E CA 0.218 56.643 56.400 0.042 0.000 0.953 1181 E CB 0.996 30.704 29.700 0.013 0.000 0.915 1181 E HN 0.210 nan 8.360 nan 0.000 0.487 1182 C N 5.739 125.052 119.300 0.021 0.000 2.439 1182 C HA 0.146 4.610 4.460 0.007 0.000 0.298 1182 C C 0.437 175.431 174.990 0.006 0.000 1.094 1182 C CA -0.904 58.120 59.018 0.010 0.000 1.609 1182 C CB -1.182 26.556 27.740 -0.004 0.000 1.723 1182 C HN 0.730 nan 8.230 nan 0.000 0.423 1183 K N 2.894 123.299 120.400 0.008 0.000 2.580 1183 K HA 0.291 4.615 4.320 0.007 0.000 0.278 1183 K C 0.989 177.592 176.600 0.005 0.000 0.960 1183 K CA 1.005 57.295 56.287 0.005 0.000 0.988 1183 K CB 0.066 32.569 32.500 0.006 0.000 0.887 1183 K HN 1.390 nan 8.250 nan 0.000 0.509 1184 G N 0.955 109.757 108.800 0.004 0.000 2.246 1184 G HA2 -0.275 3.689 3.960 0.007 0.000 0.273 1184 G HA3 -0.275 3.689 3.960 0.007 0.000 0.273 1184 G C 0.279 175.182 174.900 0.004 0.000 1.055 1184 G CA -0.063 45.040 45.100 0.005 0.000 0.851 1184 G HN 0.703 nan 8.290 nan 0.000 0.500 1185 C N -2.112 117.190 119.300 0.003 0.000 4.217 1185 C HA 0.187 4.651 4.460 0.007 0.000 0.338 1185 C C 1.005 175.995 174.990 0.000 0.000 2.461 1185 C CA 0.258 59.277 59.018 0.002 0.000 1.487 1185 C CB -0.485 27.254 27.740 -0.001 0.000 2.494 1185 C HN 0.916 nan 8.230 nan 0.000 0.490 1186 D N 1.501 121.902 120.400 0.000 0.000 2.983 1186 D HA -0.234 4.410 4.640 0.007 0.000 0.225 1186 D C -0.100 176.199 176.300 -0.002 0.000 1.174 1186 D CA 1.168 55.168 54.000 -0.001 0.000 0.831 1186 D CB -0.887 39.913 40.800 -0.001 0.000 1.104 1186 D HN 0.775 nan 8.370 nan 0.000 0.421 1187 N N -0.216 118.482 118.700 -0.003 0.000 2.414 1187 N HA 0.271 5.015 4.740 0.007 0.000 0.256 1187 N C 0.479 175.992 175.510 0.004 0.000 1.029 1187 N CA -0.310 52.735 53.050 -0.007 0.000 0.948 1187 N CB 0.432 38.907 38.487 -0.019 0.000 1.102 1187 N HN -0.029 nan 8.380 nan 0.000 0.496 1188 K N 2.519 122.924 120.400 0.008 0.000 2.438 1188 K HA 0.198 4.522 4.320 0.007 0.000 0.206 1188 K C 0.362 176.990 176.600 0.047 0.000 1.081 1188 K CA 0.164 56.472 56.287 0.035 0.000 1.053 1188 K CB 0.636 33.148 32.500 0.019 0.000 0.908 1188 K HN 0.578 nan 8.250 nan 0.000 0.556 1189 I N -3.770 116.799 120.570 -0.001 0.000 4.228 1189 I HA 0.264 4.438 4.170 0.007 0.000 0.298 1189 I C -0.009 176.043 176.117 -0.109 0.000 1.206 1189 I CA -0.213 61.073 61.300 -0.024 0.000 1.322 1189 I CB 0.205 38.194 38.000 -0.019 0.000 1.411 1189 I HN -0.256 nan 8.210 nan 0.000 0.454 1190 D N 1.929 122.250 120.400 -0.131 0.000 2.453 1190 D HA 0.540 5.183 4.640 0.007 0.000 0.223 1190 D C -0.918 175.176 176.300 -0.344 0.000 1.183 1190 D CA 0.239 54.099 54.000 -0.233 0.000 0.933 1190 D CB 0.243 40.959 40.800 -0.140 0.000 1.038 1190 D HN 0.227 nan 8.370 nan 0.000 0.513 1191 I N 3.198 123.435 120.570 -0.555 0.000 2.752 1191 I HA 0.392 4.566 4.170 0.007 0.000 0.295 1191 I C -1.635 174.092 176.117 -0.649 0.000 1.219 1191 I CA -0.600 60.395 61.300 -0.510 0.000 1.030 1191 I CB 1.664 39.434 38.000 -0.385 0.000 1.259 1191 I HN 0.202 nan 8.210 nan 0.000 0.423 1192 Y N 3.935 124.154 120.300 -0.135 0.000 2.512 1192 Y HA 0.556 5.110 4.550 0.006 0.000 0.348 1192 Y C -0.496 175.331 175.900 -0.121 0.000 0.990 1192 Y CA -0.779 57.247 58.100 -0.124 0.000 1.033 1192 Y CB 2.092 40.488 38.460 -0.106 0.000 1.259 1192 Y HN 0.381 nan 8.280 nan 0.000 0.461 1193 Q N 4.651 124.470 119.800 0.031 0.000 2.322 1193 Q HA 0.494 4.838 4.340 0.007 0.000 0.265 1193 Q C -1.312 174.547 176.000 -0.235 0.000 0.985 1193 Q CA -0.802 54.890 55.803 -0.185 0.000 0.849 1193 Q CB 1.485 30.109 28.738 -0.190 0.000 1.274 1193 Q HN 0.684 nan 8.270 nan 0.000 0.449 1194 I N 1.180 121.589 120.570 -0.268 0.000 2.957 1194 I HA 0.517 4.691 4.170 0.007 0.000 0.310 1194 I C -1.506 174.490 176.117 -0.202 0.000 1.063 1194 I CA -0.695 60.465 61.300 -0.233 0.000 1.033 1194 I CB 2.013 39.943 38.000 -0.116 0.000 1.230 1194 I HN 0.686 nan 8.210 nan 0.000 0.447 1195 H N 5.574 124.597 119.070 -0.079 0.000 2.638 1195 H HA 0.646 5.206 4.556 0.007 0.000 0.303 1195 H C -0.381 174.940 175.328 -0.012 0.000 1.034 1195 H CA -0.451 55.560 56.048 -0.060 0.000 1.225 1195 H CB 1.040 30.777 29.762 -0.042 0.000 1.394 1195 H HN 0.680 nan 8.280 nan 0.000 0.477 1196 I N 0.102 120.755 120.570 0.138 0.000 2.934 1196 I HA 0.596 4.770 4.170 0.007 0.000 0.306 1196 I C -2.841 173.367 176.117 0.152 0.000 1.110 1196 I CA -3.042 58.332 61.300 0.124 0.000 1.019 1196 I CB 2.541 40.618 38.000 0.128 0.000 1.227 1196 I HN 0.105 nan 8.210 nan 0.000 0.434 1197 P HA -0.124 nan 4.420 nan 0.000 0.266 1197 P C -0.296 177.105 177.300 0.169 0.000 1.180 1197 P CA 0.543 63.708 63.100 0.107 0.000 0.765 1197 P CB 0.173 31.891 31.700 0.030 0.000 0.806 1198 Y N 3.190 123.521 120.300 0.053 0.000 2.439 1198 Y HA -0.095 4.460 4.550 0.007 0.000 0.292 1198 Y C 2.103 177.957 175.900 -0.077 0.000 1.130 1198 Y CA 1.636 59.705 58.100 -0.052 0.000 1.254 1198 Y CB -0.293 37.993 38.460 -0.290 0.000 1.000 1198 Y HN 0.402 nan 8.280 nan 0.000 0.554 1199 A N 0.057 122.918 122.820 0.069 0.000 2.014 1199 A HA 0.002 4.326 4.320 0.007 0.000 0.218 1199 A C 2.314 179.798 177.584 -0.166 0.000 1.163 1199 A CA 1.269 53.295 52.037 -0.019 0.000 0.652 1199 A CB -1.115 17.889 19.000 0.007 0.000 0.808 1199 A HN 0.541 nan 8.150 nan 0.000 0.449 1200 A N 0.302 122.997 122.820 -0.207 0.000 1.841 1200 A HA -0.124 4.200 4.320 0.007 0.000 0.214 1200 A C 2.160 179.439 177.584 -0.507 0.000 1.195 1200 A CA 1.895 53.661 52.037 -0.451 0.000 0.611 1200 A CB -0.542 18.236 19.000 -0.370 0.000 0.835 1200 A HN 0.343 nan 8.150 nan 0.000 0.443 1201 K N 0.131 120.392 120.400 -0.232 0.000 2.071 1201 K HA -0.226 4.098 4.320 0.007 0.000 0.217 1201 K C 1.939 178.410 176.600 -0.215 0.000 1.054 1201 K CA 2.209 58.422 56.287 -0.123 0.000 0.937 1201 K CB -0.917 31.510 32.500 -0.122 0.000 0.719 1201 K HN 0.494 nan 8.250 nan 0.000 0.454 1202 L N 0.699 121.703 121.223 -0.364 0.000 1.989 1202 L HA -0.237 4.107 4.340 0.007 0.000 0.211 1202 L C 2.731 179.515 176.870 -0.145 0.000 1.071 1202 L CA 1.560 56.260 54.840 -0.235 0.000 0.749 1202 L CB -0.441 41.518 42.059 -0.167 0.000 0.890 1202 L HN 0.291 nan 8.230 nan 0.000 0.431 1203 L N -0.428 120.663 121.223 -0.221 0.000 2.042 1203 L HA -0.267 4.077 4.340 0.007 0.000 0.210 1203 L C 2.195 179.016 176.870 -0.082 0.000 1.076 1203 L CA 1.962 56.679 54.840 -0.205 0.000 0.749 1203 L CB -0.714 41.135 42.059 -0.349 0.000 0.893 1203 L HN 0.139 nan 8.230 nan 0.000 0.432 1204 F N -0.605 119.328 119.950 -0.029 0.000 2.113 1204 F HA -0.240 4.291 4.527 0.007 0.000 0.297 1204 F C 2.626 178.415 175.800 -0.019 0.000 1.103 1204 F CA 1.176 59.163 58.000 -0.021 0.000 1.248 1204 F CB -0.426 38.560 39.000 -0.024 0.000 0.999 1204 F HN 0.143 nan 8.300 nan 0.000 0.475 1205 Q N 0.305 120.195 119.800 0.150 0.000 2.135 1205 Q HA -0.246 4.098 4.340 0.007 0.000 0.204 1205 Q C 1.917 177.951 176.000 0.056 0.000 0.981 1205 Q CA 1.742 57.592 55.803 0.078 0.000 0.856 1205 Q CB -0.286 28.474 28.738 0.038 0.000 0.902 1205 Q HN 0.545 nan 8.270 nan 0.000 0.425 1206 E N 0.305 120.530 120.200 0.042 0.000 2.152 1206 E HA -0.118 4.236 4.350 0.007 0.000 0.192 1206 E C 1.952 178.579 176.600 0.046 0.000 0.983 1206 E CA 0.573 56.992 56.400 0.032 0.000 0.818 1206 E CB 0.065 29.772 29.700 0.013 0.000 0.758 1206 E HN 0.313 nan 8.360 nan 0.000 0.467 1207 L N 0.098 121.366 121.223 0.074 0.000 2.109 1207 L HA -0.136 4.208 4.340 0.007 0.000 0.207 1207 L C 2.438 179.347 176.870 0.065 0.000 1.086 1207 L CA 0.855 55.744 54.840 0.082 0.000 0.760 1207 L CB -0.173 41.965 42.059 0.133 0.000 0.910 1207 L HN 0.231 nan 8.230 nan 0.000 0.437 1208 M N -0.835 118.806 119.600 0.068 0.000 2.175 1208 M HA -0.151 4.333 4.480 0.007 0.000 0.264 1208 M C 2.399 178.721 176.300 0.036 0.000 1.063 1208 M CA 1.704 57.032 55.300 0.046 0.000 1.119 1208 M CB -0.357 32.270 32.600 0.045 0.000 1.377 1208 M HN 0.280 nan 8.290 nan 0.000 0.415 1209 A N -0.473 122.369 122.820 0.037 0.000 2.070 1209 A HA -0.121 4.203 4.320 0.007 0.000 0.220 1209 A C 1.970 179.570 177.584 0.026 0.000 1.159 1209 A CA 1.248 53.302 52.037 0.030 0.000 0.656 1209 A CB -0.555 18.462 19.000 0.028 0.000 0.800 1209 A HN 0.544 nan 8.150 nan 0.000 0.453 1210 M N -0.782 118.836 119.600 0.029 0.000 2.475 1210 M HA 0.177 4.661 4.480 0.007 0.000 0.261 1210 M C 0.270 176.585 176.300 0.026 0.000 1.177 1210 M CA -0.004 55.312 55.300 0.026 0.000 0.979 1210 M CB 0.070 32.687 32.600 0.029 0.000 1.482 1210 M HN 0.462 nan 8.290 nan 0.000 0.484 1211 N N 1.331 120.046 118.700 0.026 0.000 2.776 1211 N HA -0.158 4.586 4.740 0.007 0.000 0.249 1211 N C -1.159 174.365 175.510 0.023 0.000 1.111 1211 N CA 0.704 53.767 53.050 0.022 0.000 0.711 1211 N CB -0.908 37.591 38.487 0.019 0.000 1.065 1211 N HN 0.439 nan 8.380 nan 0.000 0.556 1212 I N 0.711 121.298 120.570 0.029 0.000 2.603 1212 I HA 0.254 4.428 4.170 0.007 0.000 0.300 1212 I C 0.621 176.752 176.117 0.024 0.000 1.017 1212 I CA -0.593 60.724 61.300 0.029 0.000 1.098 1212 I CB 2.023 40.046 38.000 0.037 0.000 1.279 1212 I HN 0.040 nan 8.210 nan 0.000 0.437 1213 T N 1.601 116.162 114.554 0.013 0.000 3.254 1213 T HA 0.348 4.701 4.350 0.007 0.000 0.385 1213 T C -2.388 172.289 174.700 -0.037 0.000 1.528 1213 T CA -1.837 60.259 62.100 -0.008 0.000 1.212 1213 T CB 0.140 69.007 68.868 -0.002 0.000 1.145 1213 T HN 0.316 nan 8.240 nan 0.000 0.631 1214 P HA 0.218 nan 4.420 nan 0.000 0.260 1214 P C -0.138 176.982 177.300 -0.299 0.000 1.651 1214 P CA -0.431 62.560 63.100 -0.181 0.000 1.139 1214 P CB 0.175 31.737 31.700 -0.231 0.000 1.756 1215 R N 2.943 123.335 120.500 -0.179 0.000 2.389 1215 R HA 0.397 4.741 4.340 0.007 0.000 0.295 1215 R C 0.098 176.225 176.300 -0.287 0.000 1.075 1215 R CA -0.555 55.405 56.100 -0.233 0.000 1.005 1215 R CB 0.534 30.802 30.300 -0.053 0.000 0.987 1215 R HN 0.431 nan 8.270 nan 0.000 0.452 1216 L N 4.150 125.111 121.223 -0.438 0.000 2.305 1216 L HA 0.425 4.769 4.340 0.007 0.000 0.284 1216 L C -0.845 175.779 176.870 -0.410 0.000 1.013 1216 L CA -0.794 53.851 54.840 -0.324 0.000 0.819 1216 L CB 0.587 42.469 42.059 -0.294 0.000 1.227 1216 L HN 0.468 nan 8.230 nan 0.000 0.417 1217 Y N 0.208 120.469 120.300 -0.066 0.000 2.409 1217 Y HA 0.288 4.842 4.550 0.007 0.000 0.339 1217 Y C 1.274 177.128 175.900 -0.077 0.000 1.033 1217 Y CA -0.691 57.381 58.100 -0.047 0.000 1.094 1217 Y CB 2.170 40.612 38.460 -0.030 0.000 1.210 1217 Y HN 0.611 nan 8.280 nan 0.000 0.456 1218 T N -2.738 111.825 114.554 0.015 0.000 3.105 1218 T HA 0.130 4.483 4.350 0.007 0.000 0.253 1218 T C -0.444 174.167 174.700 -0.147 0.000 1.047 1218 T CA -0.172 61.836 62.100 -0.153 0.000 0.944 1218 T CB -0.433 68.179 68.868 -0.426 0.000 1.016 1218 T HN 0.620 nan 8.240 nan 0.000 0.544 1219 D N -0.369 120.007 120.400 -0.039 0.000 2.671 1219 D HA 0.383 5.027 4.640 0.007 0.000 0.232 1219 D C 0.847 177.140 176.300 -0.012 0.000 1.114 1219 D CA -0.982 52.995 54.000 -0.040 0.000 0.858 1219 D CB 1.712 42.489 40.800 -0.038 0.000 1.544 1219 D HN -0.289 nan 8.370 nan 0.000 0.471 1220 R N 1.022 121.510 120.500 -0.019 0.000 2.127 1220 R HA -0.038 4.306 4.340 0.007 0.000 0.228 1220 R C 0.475 176.769 176.300 -0.010 0.000 1.125 1220 R CA 0.817 56.910 56.100 -0.012 0.000 0.904 1220 R CB -0.976 29.318 30.300 -0.010 0.000 0.831 1220 R HN 0.577 nan 8.270 nan 0.000 0.431 1221 S N 0.743 116.438 115.700 -0.009 0.000 2.599 1221 S HA -0.114 4.360 4.470 0.007 0.000 0.303 1221 S C 1.365 175.957 174.600 -0.014 0.000 1.267 1221 S CA 0.109 58.306 58.200 -0.005 0.000 1.055 1221 S CB 0.682 63.882 63.200 -0.001 0.000 0.790 1221 S HN 0.266 nan 8.310 nan 0.000 0.500 1222 R N 1.931 122.431 120.500 -0.001 0.000 2.094 1222 R HA -0.160 4.183 4.340 0.007 0.000 0.239 1222 R C 0.326 176.617 176.300 -0.015 0.000 1.137 1222 R CA 2.188 58.283 56.100 -0.007 0.000 0.943 1222 R CB 0.083 30.389 30.300 0.010 0.000 0.850 1222 R HN 0.767 nan 8.270 nan 0.000 0.433 1223 D N -4.100 116.315 120.400 0.026 0.000 3.538 1223 D HA -0.065 4.578 4.640 0.007 0.000 0.543 1223 D C -0.302 176.027 176.300 0.049 0.000 0.411 1223 D CA 0.006 54.013 54.000 0.012 0.000 0.983 1223 D CB -0.786 39.996 40.800 -0.030 0.000 1.426 1223 D HN 0.025 nan 8.370 nan 0.000 0.238 1224 F N 0.000 119.930 119.950 -0.034 0.000 2.286 1224 F HA 0.000 4.531 4.527 0.006 0.000 0.279 1224 F CA 0.000 57.985 58.000 -0.025 0.000 1.383 1224 F CB 0.000 38.987 39.000 -0.022 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574