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 2nvq_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXE ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKRTYEA IDXXXXXXXX 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 0.000 176.275 176.300 -0.041 0.000 2.045 20 D CA 0.000 53.983 54.000 -0.028 0.000 0.868 20 D CB 0.000 40.785 40.800 -0.025 0.000 0.688 21 E N -1.017 119.149 120.200 -0.056 0.000 2.571 21 E HA 0.236 4.588 4.350 0.002 0.000 0.222 21 E C 0.337 176.872 176.600 -0.108 0.000 0.904 21 E CA -0.099 56.249 56.400 -0.086 0.000 1.157 21 E CB 0.544 30.184 29.700 -0.101 0.000 1.158 21 E HN 0.094 nan 8.360 nan 0.000 0.540 22 S N 1.248 116.901 115.700 -0.078 0.000 2.501 22 S HA 0.274 4.745 4.470 0.002 0.000 0.220 22 S C 1.135 175.703 174.600 -0.054 0.000 0.997 22 S CA 0.239 58.395 58.200 -0.072 0.000 0.919 22 S CB 0.238 63.410 63.200 -0.047 0.000 0.778 22 S HN 0.494 nan 8.310 nan 0.000 0.523 23 A N 3.785 126.579 122.820 -0.044 0.000 2.615 23 A HA 0.231 4.552 4.320 0.002 0.000 0.230 23 A C -1.737 175.826 177.584 -0.034 0.000 1.062 23 A CA -0.617 51.402 52.037 -0.030 0.000 0.758 23 A CB -0.436 18.550 19.000 -0.023 0.000 0.995 23 A HN 0.188 nan 8.150 nan 0.000 0.511 24 P HA 0.249 nan 4.420 nan 0.000 0.274 24 P C -0.416 176.856 177.300 -0.046 0.000 1.264 24 P CA 0.030 63.103 63.100 -0.043 0.000 0.795 24 P CB 0.495 32.175 31.700 -0.034 0.000 1.064 25 I N -0.301 120.224 120.570 -0.075 0.000 2.460 25 I HA 0.239 4.410 4.170 0.002 0.000 0.298 25 I C 1.138 177.226 176.117 -0.048 0.000 0.989 25 I CA -0.459 60.800 61.300 -0.069 0.000 1.173 25 I CB 1.895 39.811 38.000 -0.140 0.000 1.338 25 I HN 0.382 nan 8.210 nan 0.000 0.456 26 T N 1.614 116.167 114.554 -0.002 0.000 2.912 26 T HA 0.448 4.799 4.350 0.002 0.000 0.280 26 T C 1.020 175.751 174.700 0.052 0.000 0.989 26 T CA -0.328 61.786 62.100 0.024 0.000 0.995 26 T CB 1.700 70.598 68.868 0.050 0.000 1.077 26 T HN 0.624 nan 8.240 nan 0.000 0.531 27 A N -0.065 122.802 122.820 0.078 0.000 2.070 27 A HA -0.049 4.273 4.320 0.002 0.000 0.220 27 A C 2.253 179.965 177.584 0.214 0.000 1.159 27 A CA 1.054 53.166 52.037 0.124 0.000 0.656 27 A CB -0.909 18.172 19.000 0.135 0.000 0.800 27 A HN 0.861 nan 8.150 nan 0.000 0.453 28 E N 0.789 121.121 120.200 0.220 0.000 2.077 28 E HA -0.171 4.180 4.350 0.002 0.000 0.193 28 E C 1.000 177.789 176.600 0.315 0.000 0.989 28 E CA 1.314 57.896 56.400 0.303 0.000 0.800 28 E CB -0.327 29.499 29.700 0.211 0.000 0.746 28 E HN 0.592 nan 8.360 nan 0.000 0.452 29 D N -0.246 120.273 120.400 0.198 0.000 2.378 29 D HA -0.081 4.560 4.640 0.002 0.000 0.222 29 D C 1.804 178.225 176.300 0.202 0.000 0.980 29 D CA 0.793 54.900 54.000 0.178 0.000 0.907 29 D CB -0.140 40.722 40.800 0.103 0.000 0.899 29 D HN 0.152 nan 8.370 nan 0.000 0.527 30 S N -1.029 114.769 115.700 0.164 0.000 2.446 30 S HA -0.107 4.364 4.470 0.002 0.000 0.225 30 S C 1.873 176.461 174.600 -0.020 0.000 1.016 30 S CA -0.122 58.147 58.200 0.114 0.000 0.943 30 S CB -0.705 62.527 63.200 0.054 0.000 0.786 30 S HN 0.337 nan 8.310 nan 0.000 0.508 31 W N 2.343 123.781 121.300 0.231 0.000 2.402 31 W HA 0.199 4.860 4.660 0.002 0.000 0.286 31 W C 2.872 179.542 176.519 0.251 0.000 1.221 31 W CA 0.458 57.938 57.345 0.224 0.000 1.257 31 W CB -0.582 28.999 29.460 0.202 0.000 1.120 31 W HN 0.390 nan 8.180 nan 0.000 0.551 32 A N 0.266 123.334 122.820 0.414 0.000 1.940 32 A HA -0.252 4.069 4.320 0.002 0.000 0.221 32 A C 1.977 179.763 177.584 0.336 0.000 1.190 32 A CA 2.689 54.929 52.037 0.337 0.000 0.647 32 A CB -1.059 18.104 19.000 0.272 0.000 0.821 32 A HN 0.165 nan 8.150 nan 0.000 0.457 33 V N -0.907 119.200 119.914 0.322 0.000 2.500 33 V HA -0.108 4.013 4.120 0.002 0.000 0.243 33 V C 2.299 178.572 176.094 0.298 0.000 1.039 33 V CA 1.457 63.971 62.300 0.358 0.000 1.053 33 V CB -0.567 31.485 31.823 0.383 0.000 0.695 33 V HN 0.500 nan 8.190 nan 0.000 0.463 34 I N 0.451 121.108 120.570 0.144 0.000 2.286 34 I HA -0.207 3.965 4.170 0.002 0.000 0.248 34 I C 2.491 178.642 176.117 0.056 0.000 1.115 34 I CA 1.490 62.788 61.300 -0.002 0.000 1.392 34 I CB -0.385 37.573 38.000 -0.070 0.000 1.065 34 I HN 0.160 nan 8.210 nan 0.000 0.418 35 S N 0.225 116.059 115.700 0.223 0.000 2.442 35 S HA -0.107 4.364 4.470 0.002 0.000 0.236 35 S C 2.129 176.903 174.600 0.290 0.000 1.007 35 S CA 1.082 59.480 58.200 0.329 0.000 0.965 35 S CB -0.301 63.174 63.200 0.458 0.000 0.773 35 S HN 0.552 nan 8.310 nan 0.000 0.504 36 A N 1.156 124.157 122.820 0.301 0.000 1.843 36 A HA 0.237 4.558 4.320 0.002 0.000 0.213 36 A C 0.765 178.468 177.584 0.199 0.000 1.202 36 A CA 0.060 52.301 52.037 0.339 0.000 0.607 36 A CB -0.788 18.516 19.000 0.506 0.000 0.847 36 A HN 0.397 nan 8.150 nan 0.000 0.445 37 F N -1.098 118.708 119.950 -0.240 0.000 2.641 37 F HA 0.016 4.544 4.527 0.002 0.000 0.350 37 F C 0.949 176.526 175.800 -0.372 0.000 1.120 37 F CA 2.070 59.536 58.000 -0.890 0.000 1.348 37 F CB -0.058 38.106 39.000 -1.393 0.000 1.005 37 F HN 0.486 nan 8.300 nan 0.000 0.621 38 F N -0.132 119.577 119.950 -0.402 0.000 2.528 38 F HA -0.446 4.082 4.527 0.002 0.000 0.684 38 F C 2.020 177.771 175.800 -0.081 0.000 0.489 38 F CA 1.488 59.411 58.000 -0.128 0.000 0.863 38 F CB -1.166 37.824 39.000 -0.016 0.000 1.704 38 F HN 0.511 nan 8.300 nan 0.000 0.265 39 R N 0.725 121.323 120.500 0.163 0.000 2.120 39 R HA -0.174 4.167 4.340 0.002 0.000 0.234 39 R C 1.816 178.134 176.300 0.030 0.000 1.123 39 R CA 2.130 58.304 56.100 0.124 0.000 0.975 39 R CB -0.189 30.204 30.300 0.156 0.000 0.866 39 R HN 0.652 nan 8.270 nan 0.000 0.446 40 E N -0.655 119.500 120.200 -0.075 0.000 2.340 40 E HA -0.026 4.325 4.350 0.002 0.000 0.198 40 E C 1.167 177.642 176.600 -0.209 0.000 0.961 40 E CA 0.351 56.688 56.400 -0.106 0.000 0.905 40 E CB 0.461 30.128 29.700 -0.054 0.000 0.884 40 E HN 0.170 nan 8.360 nan 0.000 0.491 41 K N -0.186 119.973 120.400 -0.401 0.000 2.365 41 K HA 0.233 4.554 4.320 0.002 0.000 0.195 41 K C 0.785 177.269 176.600 -0.194 0.000 1.079 41 K CA 0.385 56.419 56.287 -0.421 0.000 0.979 41 K CB 1.194 33.172 32.500 -0.870 0.000 0.929 41 K HN 0.212 nan 8.250 nan 0.000 0.523 42 G N 1.543 110.310 108.800 -0.055 0.000 2.645 42 G HA2 -0.310 3.651 3.960 0.002 0.000 0.239 42 G HA3 -0.310 3.651 3.960 0.002 0.000 0.239 42 G C 0.292 175.326 174.900 0.222 0.000 1.331 42 G CA -0.261 44.912 45.100 0.123 0.000 0.890 42 G HN 0.131 nan 8.290 nan 0.000 0.572 43 L N 0.023 121.367 121.223 0.202 0.000 2.513 43 L HA 0.244 4.585 4.340 0.002 0.000 0.222 43 L C 2.051 178.982 176.870 0.101 0.000 1.096 43 L CA 1.055 56.019 54.840 0.207 0.000 0.857 43 L CB 0.463 42.620 42.059 0.164 0.000 1.026 43 L HN 0.800 nan 8.230 nan 0.000 0.469 44 V N -4.623 115.322 119.914 0.052 0.000 2.915 44 V HA 0.188 4.309 4.120 0.002 0.000 0.364 44 V C 1.702 177.787 176.094 -0.014 0.000 1.354 44 V CA 0.273 62.581 62.300 0.014 0.000 1.213 44 V CB -0.109 31.719 31.823 0.009 0.000 1.268 44 V HN 0.287 nan 8.190 nan 0.000 0.557 45 S N 1.950 117.633 115.700 -0.030 0.000 2.400 45 S HA -0.321 4.150 4.470 0.002 0.000 0.232 45 S C 1.804 176.374 174.600 -0.050 0.000 1.025 45 S CA 1.905 60.070 58.200 -0.059 0.000 0.993 45 S CB -0.473 62.653 63.200 -0.123 0.000 0.808 45 S HN 0.817 nan 8.310 nan 0.000 0.478 46 Q N 0.676 120.443 119.800 -0.055 0.000 2.369 46 Q HA 0.113 4.454 4.340 0.002 0.000 0.206 46 Q C 2.056 178.044 176.000 -0.021 0.000 0.963 46 Q CA 0.931 56.703 55.803 -0.052 0.000 0.894 46 Q CB -0.477 28.216 28.738 -0.075 0.000 0.965 46 Q HN 0.445 nan 8.270 nan 0.000 0.475 47 Q N 0.703 120.491 119.800 -0.021 0.000 2.020 47 Q HA 0.046 4.388 4.340 0.002 0.000 0.198 47 Q C 2.218 178.225 176.000 0.011 0.000 0.974 47 Q CA 1.158 56.951 55.803 -0.017 0.000 0.829 47 Q CB -0.215 28.491 28.738 -0.054 0.000 0.894 47 Q HN 0.464 nan 8.270 nan 0.000 0.433 48 L N 1.005 122.227 121.223 -0.003 0.000 2.093 48 L HA -0.200 4.141 4.340 0.002 0.000 0.208 48 L C 1.822 178.747 176.870 0.091 0.000 1.085 48 L CA 1.018 55.878 54.840 0.034 0.000 0.755 48 L CB -0.396 41.664 42.059 0.001 0.000 0.904 48 L HN 0.118 nan 8.230 nan 0.000 0.435 49 D N -0.923 119.508 120.400 0.052 0.000 2.123 49 D HA -0.158 4.483 4.640 0.002 0.000 0.200 49 D C 2.337 178.686 176.300 0.082 0.000 0.976 49 D CA 1.276 55.309 54.000 0.055 0.000 0.831 49 D CB -0.165 40.646 40.800 0.020 0.000 0.974 49 D HN 0.071 nan 8.370 nan 0.000 0.469 50 S N -0.500 115.253 115.700 0.087 0.000 2.374 50 S HA -0.215 4.256 4.470 0.002 0.000 0.227 50 S C 1.787 176.513 174.600 0.210 0.000 1.037 50 S CA 0.922 59.192 58.200 0.117 0.000 1.024 50 S CB -0.387 62.872 63.200 0.098 0.000 0.861 50 S HN 0.207 nan 8.310 nan 0.000 0.456 51 F N 2.763 122.757 119.950 0.074 0.000 2.128 51 F HA 0.076 4.604 4.527 0.002 0.000 0.295 51 F C 2.127 178.019 175.800 0.153 0.000 1.100 51 F CA 1.424 59.506 58.000 0.137 0.000 1.260 51 F CB -0.603 38.447 39.000 0.082 0.000 1.009 51 F HN 0.234 nan 8.300 nan 0.000 0.476 52 N N 0.401 119.209 118.700 0.180 0.000 2.149 52 N HA -0.240 4.501 4.740 0.002 0.000 0.188 52 N C 1.805 177.335 175.510 0.034 0.000 1.019 52 N CA 1.425 54.513 53.050 0.062 0.000 0.857 52 N CB -0.635 37.907 38.487 0.092 0.000 0.997 52 N HN 0.368 nan 8.380 nan 0.000 0.426 53 Q N 0.398 120.237 119.800 0.065 0.000 2.079 53 Q HA -0.056 4.285 4.340 0.002 0.000 0.200 53 Q C 1.839 177.875 176.000 0.060 0.000 0.974 53 Q CA 1.029 56.867 55.803 0.057 0.000 0.840 53 Q CB -0.570 28.178 28.738 0.017 0.000 0.898 53 Q HN 0.327 nan 8.270 nan 0.000 0.430 54 F N -0.454 119.423 119.950 -0.121 0.000 2.069 54 F HA -0.199 4.329 4.527 0.002 0.000 0.298 54 F C 1.833 177.456 175.800 -0.294 0.000 1.113 54 F CA 1.617 59.495 58.000 -0.204 0.000 1.214 54 F CB -0.693 38.157 39.000 -0.250 0.000 0.978 54 F HN -0.014 nan 8.300 nan 0.000 0.474 55 V N 0.856 120.457 119.914 -0.522 0.000 2.229 55 V HA -0.280 3.841 4.120 0.002 0.000 0.243 55 V C 2.275 178.115 176.094 -0.423 0.000 1.042 55 V CA 2.246 64.176 62.300 -0.616 0.000 1.000 55 V CB -0.757 30.770 31.823 -0.493 0.000 0.637 55 V HN 0.283 nan 8.190 nan 0.000 0.446 56 D N -1.009 119.254 120.400 -0.228 0.000 2.126 56 D HA -0.215 4.427 4.640 0.002 0.000 0.190 56 D C 1.915 178.002 176.300 -0.356 0.000 1.001 56 D CA 2.277 56.139 54.000 -0.231 0.000 0.841 56 D CB -0.181 40.580 40.800 -0.065 0.000 0.949 56 D HN 0.586 nan 8.370 nan 0.000 0.446 57 Y N -0.007 120.153 120.300 -0.234 0.000 2.447 57 Y HA 0.096 4.648 4.550 0.002 0.000 0.286 57 Y C 2.713 178.459 175.900 -0.256 0.000 1.153 57 Y CA 0.578 58.556 58.100 -0.204 0.000 1.241 57 Y CB -0.662 37.721 38.460 -0.128 0.000 1.284 57 Y HN -0.176 nan 8.280 nan 0.000 0.520 58 T N 1.600 116.102 114.554 -0.085 0.000 2.833 58 T HA -0.154 4.197 4.350 0.002 0.000 0.269 58 T C 1.898 176.381 174.700 -0.363 0.000 1.054 58 T CA 1.417 63.430 62.100 -0.146 0.000 1.135 58 T CB -0.485 68.381 68.868 -0.004 0.000 0.869 58 T HN 0.105 nan 8.240 nan 0.000 0.466 59 L N 1.371 122.173 121.223 -0.702 0.000 2.093 59 L HA 0.015 4.356 4.340 0.002 0.000 0.208 59 L C 2.470 178.982 176.870 -0.596 0.000 1.085 59 L CA 1.752 56.035 54.840 -0.928 0.000 0.755 59 L CB -0.943 40.371 42.059 -1.241 0.000 0.904 59 L HN 0.083 nan 8.230 nan 0.000 0.435 60 Q N -0.110 119.424 119.800 -0.443 0.000 2.112 60 Q HA -0.244 4.098 4.340 0.002 0.000 0.206 60 Q C 1.738 177.595 176.000 -0.238 0.000 0.987 60 Q CA 2.341 57.951 55.803 -0.322 0.000 0.858 60 Q CB -0.282 28.293 28.738 -0.272 0.000 0.905 60 Q HN 0.606 nan 8.270 nan 0.000 0.420 61 D N -0.307 119.979 120.400 -0.190 0.000 2.097 61 D HA -0.128 4.513 4.640 0.002 0.000 0.197 61 D C 1.692 177.931 176.300 -0.102 0.000 0.984 61 D CA 1.219 55.154 54.000 -0.108 0.000 0.826 61 D CB -0.216 40.546 40.800 -0.064 0.000 0.973 61 D HN 0.322 nan 8.370 nan 0.000 0.460 62 I N 0.429 120.913 120.570 -0.142 0.000 2.423 62 I HA -0.203 3.968 4.170 0.002 0.000 0.254 62 I C 2.012 178.024 176.117 -0.175 0.000 1.151 62 I CA 0.724 61.981 61.300 -0.072 0.000 1.421 62 I CB -0.642 37.367 38.000 0.016 0.000 1.079 62 I HN 0.006 nan 8.210 nan 0.000 0.431 63 I N 0.820 121.180 120.570 -0.351 0.000 2.315 63 I HA -0.175 3.996 4.170 0.002 0.000 0.248 63 I C 1.082 177.197 176.117 -0.003 0.000 1.117 63 I CA 0.762 61.806 61.300 -0.427 0.000 1.404 63 I CB -0.342 37.416 38.000 -0.404 0.000 1.071 63 I HN 0.215 nan 8.210 nan 0.000 0.419 64 C N 1.519 120.827 119.300 0.014 0.000 2.246 64 C HA 0.513 4.975 4.460 0.002 0.000 0.329 64 C C 1.024 176.072 174.990 0.097 0.000 1.221 64 C CA -0.534 58.536 59.018 0.087 0.000 1.697 64 C CB -0.401 27.365 27.740 0.042 0.000 2.312 64 C HN 0.501 nan 8.230 nan 0.000 0.509 65 E N 1.155 121.440 120.200 0.143 0.000 3.051 65 E HA -0.078 4.273 4.350 0.002 0.000 0.264 65 E C 0.348 177.024 176.600 0.127 0.000 1.159 65 E CA 0.053 56.522 56.400 0.114 0.000 1.876 65 E CB -0.471 29.295 29.700 0.109 0.000 2.324 65 E HN 0.672 nan 8.360 nan 0.000 1.089 66 D N 1.360 121.841 120.400 0.135 0.000 2.277 66 D HA -0.108 4.533 4.640 0.002 0.000 0.208 66 D C 1.545 177.958 176.300 0.189 0.000 0.962 66 D CA 1.496 55.574 54.000 0.131 0.000 0.865 66 D CB -0.165 40.688 40.800 0.089 0.000 0.939 66 D HN 0.257 nan 8.370 nan 0.000 0.510 67 S N 1.279 117.140 115.700 0.268 0.000 2.557 67 S HA -0.356 4.115 4.470 0.002 0.000 0.344 67 S C 1.359 176.236 174.600 0.461 0.000 1.291 67 S CA 2.702 61.176 58.200 0.457 0.000 1.306 67 S CB -2.524 60.962 63.200 0.476 0.000 1.335 67 S HN 0.701 nan 8.310 nan 0.000 0.466 68 T N 1.763 116.480 114.554 0.271 0.000 2.932 68 T HA 0.517 4.868 4.350 0.002 0.000 0.312 68 T C -0.009 174.757 174.700 0.110 0.000 1.071 68 T CA -0.460 61.713 62.100 0.121 0.000 1.128 68 T CB 0.098 69.010 68.868 0.074 0.000 0.984 68 T HN 0.487 nan 8.240 nan 0.000 0.549 69 L N 2.046 123.280 121.223 0.019 0.000 2.279 69 L HA 0.835 5.176 4.340 0.002 0.000 0.262 69 L C -0.467 176.376 176.870 -0.045 0.000 1.019 69 L CA -1.354 53.506 54.840 0.034 0.000 0.823 69 L CB 1.999 44.045 42.059 -0.023 0.000 1.358 69 L HN 0.660 nan 8.230 nan 0.000 0.432 90 I N 3.178 123.616 120.570 -0.220 0.000 2.439 90 I HA 0.298 4.469 4.170 0.002 0.000 0.285 90 I C 0.289 176.181 176.117 -0.375 0.000 1.021 90 I CA -0.619 60.510 61.300 -0.284 0.000 1.091 90 I CB 1.218 39.033 38.000 -0.308 0.000 1.242 90 I HN 0.463 nan 8.210 nan 0.000 0.439 91 S N 5.826 121.301 115.700 -0.375 0.000 2.568 91 S HA 0.823 5.294 4.470 0.002 0.000 0.302 91 S C -0.884 173.481 174.600 -0.392 0.000 1.082 91 S CA -0.495 57.518 58.200 -0.312 0.000 1.009 91 S CB 1.999 65.138 63.200 -0.102 0.000 1.069 91 S HN 0.264 nan 8.310 nan 0.000 0.500 92 F N 0.312 120.305 119.950 0.073 0.000 2.497 92 F HA 0.849 5.377 4.527 0.002 0.000 0.331 92 F C 1.200 177.022 175.800 0.036 0.000 1.060 92 F CA -0.108 57.939 58.000 0.078 0.000 0.989 92 F CB 2.174 41.257 39.000 0.138 0.000 1.245 92 F HN 1.028 nan 8.300 nan 0.000 0.486 93 G N -0.080 108.865 108.800 0.242 0.000 2.896 93 G HA2 0.223 4.184 3.960 0.002 0.000 0.247 93 G HA3 0.223 4.184 3.960 0.002 0.000 0.247 93 G C -1.375 173.514 174.900 -0.019 0.000 1.187 93 G CA -0.879 44.272 45.100 0.085 0.000 0.837 93 G HN 0.341 nan 8.290 nan 0.000 0.559 94 K N 0.647 120.990 120.400 -0.096 0.000 2.466 94 K HA 0.039 4.360 4.320 0.002 0.000 0.278 94 K C -0.547 175.745 176.600 -0.513 0.000 1.048 94 K CA 0.143 56.248 56.287 -0.303 0.000 1.088 94 K CB 0.206 32.516 32.500 -0.318 0.000 0.884 94 K HN 0.332 nan 8.250 nan 0.000 0.478 95 I N 4.892 125.159 120.570 -0.504 0.000 2.365 95 I HA 0.146 4.317 4.170 0.002 0.000 0.291 95 I C -0.990 174.799 176.117 -0.547 0.000 1.004 95 I CA -0.531 60.510 61.300 -0.431 0.000 1.311 95 I CB 0.430 38.236 38.000 -0.324 0.000 1.401 95 I HN 0.434 nan 8.210 nan 0.000 0.491 96 Y N 5.538 125.845 120.300 0.012 0.000 2.377 96 Y HA 0.566 5.118 4.550 0.002 0.000 0.339 96 Y C -0.419 175.521 175.900 0.068 0.000 1.011 96 Y CA -0.964 57.162 58.100 0.044 0.000 1.093 96 Y CB 1.765 40.289 38.460 0.108 0.000 1.201 96 Y HN 0.117 nan 8.280 nan 0.000 0.455 97 V N 3.032 123.045 119.914 0.165 0.000 2.376 97 V HA 0.259 4.380 4.120 0.002 0.000 0.287 97 V C 0.244 176.400 176.094 0.104 0.000 1.015 97 V CA -0.985 61.368 62.300 0.087 0.000 0.834 97 V CB 1.084 32.887 31.823 -0.035 0.000 1.001 97 V HN 0.959 nan 8.190 nan 0.000 0.428 98 T N 2.763 117.411 114.554 0.157 0.000 2.667 98 T HA 0.253 4.604 4.350 0.002 0.000 0.305 98 T C 0.172 174.859 174.700 -0.022 0.000 1.022 98 T CA -0.384 61.776 62.100 0.100 0.000 0.995 98 T CB 0.613 69.587 68.868 0.176 0.000 1.026 98 T HN 0.441 nan 8.240 nan 0.000 0.527 99 K N 1.707 122.063 120.400 -0.074 0.000 2.118 99 K HA 0.376 4.698 4.320 0.002 0.000 0.267 99 K C -2.539 173.938 176.600 -0.205 0.000 0.991 99 K CA -2.156 53.973 56.287 -0.264 0.000 0.916 99 K CB 0.956 33.261 32.500 -0.325 0.000 1.041 99 K HN 0.474 nan 8.250 nan 0.000 0.455 100 P HA 0.085 nan 4.420 nan 0.000 0.266 100 P C -0.537 176.744 177.300 -0.031 0.000 1.195 100 P CA 0.568 63.506 63.100 -0.269 0.000 0.768 100 P CB 0.504 31.772 31.700 -0.721 0.000 0.838 101 M N 0.773 120.374 119.600 0.003 0.000 2.813 101 M HA 0.431 4.912 4.480 0.002 0.000 0.270 101 M C -1.099 175.247 176.300 0.078 0.000 1.267 101 M CA -1.016 54.314 55.300 0.051 0.000 0.822 101 M CB 2.143 34.779 32.600 0.059 0.000 1.671 101 M HN -0.109 nan 8.290 nan 0.000 0.468 102 V N 0.609 120.586 119.914 0.106 0.000 2.919 102 V HA 0.479 4.600 4.120 0.002 0.000 0.316 102 V C -0.815 175.334 176.094 0.093 0.000 1.077 102 V CA -0.736 61.635 62.300 0.119 0.000 0.977 102 V CB 2.029 33.955 31.823 0.170 0.000 1.039 102 V HN 0.812 nan 8.190 nan 0.000 0.441 103 N N 2.163 120.903 118.700 0.067 0.000 3.044 103 N HA 0.191 4.932 4.740 0.002 0.000 0.254 103 N C -0.166 175.366 175.510 0.036 0.000 1.253 103 N CA -0.337 52.736 53.050 0.038 0.000 0.944 103 N CB 0.243 38.735 38.487 0.009 0.000 1.217 103 N HN 0.564 nan 8.380 nan 0.000 0.498 104 E N 0.720 120.946 120.200 0.045 0.000 2.037 104 E HA -0.034 4.317 4.350 0.002 0.000 0.253 104 E C -0.060 176.547 176.600 0.012 0.000 1.265 104 E CA 0.078 56.493 56.400 0.026 0.000 0.972 104 E CB -0.542 29.162 29.700 0.006 0.000 1.054 104 E HN 0.484 nan 8.360 nan 0.000 0.432 105 S N 2.816 118.522 115.700 0.011 0.000 2.702 105 S HA -0.126 4.345 4.470 0.002 0.000 0.314 105 S C 0.358 174.957 174.600 -0.002 0.000 1.244 105 S CA -0.194 58.007 58.200 0.002 0.000 1.058 105 S CB 0.280 63.479 63.200 -0.001 0.000 0.783 105 S HN 0.579 nan 8.310 nan 0.000 0.503 106 D N 1.307 121.705 120.400 -0.004 0.000 3.437 106 D HA 0.072 4.713 4.640 0.002 0.000 0.243 106 D C 0.324 176.622 176.300 -0.003 0.000 1.104 106 D CA 2.251 56.248 54.000 -0.005 0.000 1.009 106 D CB -1.180 39.616 40.800 -0.007 0.000 0.937 106 D HN 1.489 nan 8.370 nan 0.000 0.417 107 G N -0.963 107.836 108.800 -0.002 0.000 2.320 107 G HA2 0.323 4.284 3.960 0.002 0.000 0.274 107 G HA3 0.323 4.284 3.960 0.002 0.000 0.274 107 G C -0.471 174.433 174.900 0.007 0.000 1.324 107 G CA -0.322 44.778 45.100 -0.000 0.000 0.957 107 G HN 0.768 nan 8.290 nan 0.000 0.481 108 V N 0.198 120.120 119.914 0.013 0.000 3.133 108 V HA 0.506 4.628 4.120 0.002 0.000 0.305 108 V C 0.995 177.121 176.094 0.053 0.000 1.084 108 V CA 0.085 62.404 62.300 0.031 0.000 1.089 108 V CB 1.444 33.293 31.823 0.043 0.000 1.073 108 V HN 0.818 nan 8.190 nan 0.000 0.477 109 T N 2.309 116.897 114.554 0.057 0.000 2.739 109 T HA 0.203 4.554 4.350 0.002 0.000 0.298 109 T C -0.232 174.547 174.700 0.132 0.000 0.929 109 T CA 0.142 62.288 62.100 0.077 0.000 1.014 109 T CB -0.525 68.368 68.868 0.041 0.000 0.914 109 T HN 0.700 nan 8.240 nan 0.000 0.509 110 H N 2.502 121.592 119.070 0.034 0.000 2.582 110 H HA 0.552 5.110 4.556 0.005 0.000 0.345 110 H C -0.003 175.353 175.328 0.047 0.000 1.104 110 H CA -0.745 55.329 56.048 0.044 0.000 1.390 110 H CB 0.655 30.449 29.762 0.054 0.000 1.461 110 H HN 0.698 nan 8.280 nan 0.000 0.551 111 A N 5.200 127.854 122.820 -0.276 0.000 2.354 111 A HA 0.359 4.680 4.320 0.002 0.000 0.281 111 A C -0.733 176.600 177.584 -0.419 0.000 1.174 111 A CA -0.516 51.365 52.037 -0.260 0.000 0.828 111 A CB -0.425 18.440 19.000 -0.224 0.000 1.099 111 A HN 0.621 nan 8.150 nan 0.000 0.516 112 L N 3.756 124.865 121.223 -0.191 0.000 2.275 112 L HA 0.641 4.982 4.340 0.002 0.000 0.288 112 L C -1.105 175.771 176.870 0.010 0.000 1.046 112 L CA -0.133 54.700 54.840 -0.011 0.000 0.805 112 L CB 0.463 42.613 42.059 0.151 0.000 1.193 112 L HN 0.621 nan 8.230 nan 0.000 0.426 113 Y N 5.704 126.093 120.300 0.149 0.000 2.457 113 Y HA 0.450 5.000 4.550 0.001 0.000 0.333 113 Y C -1.603 174.343 175.900 0.076 0.000 1.119 113 Y CA -1.509 56.675 58.100 0.140 0.000 1.143 113 Y CB 1.146 39.586 38.460 -0.034 0.000 1.230 113 Y HN 0.550 nan 8.280 nan 0.000 0.469 114 P HA -0.252 nan 4.420 nan 0.000 0.214 114 P C 1.405 178.703 177.300 -0.003 0.000 1.163 114 P CA 1.670 64.631 63.100 -0.231 0.000 0.889 114 P CB 0.316 31.834 31.700 -0.303 0.000 0.790 115 Q N 0.141 119.971 119.800 0.049 0.000 2.062 115 Q HA -0.258 4.083 4.340 0.002 0.000 0.209 115 Q C 2.163 178.220 176.000 0.096 0.000 0.996 115 Q CA 2.061 57.902 55.803 0.063 0.000 0.859 115 Q CB -1.077 27.686 28.738 0.042 0.000 0.920 115 Q HN 0.313 nan 8.270 nan 0.000 0.415 116 E N -1.456 118.825 120.200 0.135 0.000 2.153 116 E HA -0.181 4.170 4.350 0.002 0.000 0.194 116 E C 1.671 178.370 176.600 0.165 0.000 0.988 116 E CA 0.878 57.374 56.400 0.160 0.000 0.811 116 E CB -0.165 29.662 29.700 0.211 0.000 0.746 116 E HN 0.443 nan 8.360 nan 0.000 0.466 117 A N 1.076 123.994 122.820 0.163 0.000 1.898 117 A HA -0.150 4.171 4.320 0.002 0.000 0.216 117 A C 2.122 179.792 177.584 0.143 0.000 1.181 117 A CA 1.207 53.345 52.037 0.168 0.000 0.620 117 A CB -0.352 18.762 19.000 0.189 0.000 0.819 117 A HN 0.138 nan 8.150 nan 0.000 0.442 118 R N -0.665 119.908 120.500 0.122 0.000 2.070 118 R HA -0.067 4.274 4.340 0.002 0.000 0.233 118 R C 2.081 178.465 176.300 0.140 0.000 1.137 118 R CA 1.670 57.840 56.100 0.117 0.000 0.945 118 R CB -0.550 29.809 30.300 0.097 0.000 0.845 118 R HN 0.504 nan 8.270 nan 0.000 0.430 119 L N 0.114 121.423 121.223 0.144 0.000 2.141 119 L HA -0.139 4.202 4.340 0.002 0.000 0.209 119 L C 1.916 178.965 176.870 0.299 0.000 1.094 119 L CA 1.301 56.242 54.840 0.168 0.000 0.763 119 L CB -0.135 41.994 42.059 0.117 0.000 0.908 119 L HN 0.118 nan 8.230 nan 0.000 0.437 120 R N -0.028 120.637 120.500 0.276 0.000 2.388 120 R HA 0.135 4.476 4.340 0.002 0.000 0.247 120 R C -0.217 176.137 176.300 0.090 0.000 0.931 120 R CA -0.137 56.158 56.100 0.325 0.000 1.082 120 R CB -0.219 30.217 30.300 0.227 0.000 1.135 120 R HN 0.358 nan 8.270 nan 0.000 0.525 121 N N 1.512 120.279 118.700 0.112 0.000 2.678 121 N HA -0.206 4.535 4.740 0.002 0.000 0.268 121 N C -0.898 174.616 175.510 0.005 0.000 1.010 121 N CA 0.115 53.174 53.050 0.015 0.000 0.784 121 N CB -0.653 37.770 38.487 -0.107 0.000 0.905 121 N HN 0.224 nan 8.380 nan 0.000 0.552 122 L N -0.590 120.677 121.223 0.073 0.000 2.299 122 L HA 0.575 4.916 4.340 0.002 0.000 0.268 122 L C 0.597 177.541 176.870 0.124 0.000 1.012 122 L CA -0.884 54.008 54.840 0.087 0.000 0.816 122 L CB 1.538 43.667 42.059 0.116 0.000 1.355 122 L HN -0.028 nan 8.230 nan 0.000 0.457 123 T N -0.382 114.252 114.554 0.133 0.000 2.756 123 T HA 0.207 4.559 4.350 0.002 0.000 0.290 123 T C -0.703 174.126 174.700 0.216 0.000 0.985 123 T CA -0.186 62.012 62.100 0.163 0.000 0.955 123 T CB 0.246 69.188 68.868 0.124 0.000 0.930 123 T HN 0.238 nan 8.240 nan 0.000 0.451 124 Y N 4.690 125.057 120.300 0.112 0.000 2.644 124 Y HA 0.352 4.903 4.550 0.001 0.000 0.354 124 Y C 0.359 176.328 175.900 0.115 0.000 1.166 124 Y CA -0.457 57.706 58.100 0.105 0.000 1.591 124 Y CB -0.462 38.051 38.460 0.087 0.000 1.346 124 Y HN 0.642 nan 8.280 nan 0.000 0.497 125 S N 2.817 118.470 115.700 -0.077 0.000 2.603 125 S HA 0.618 5.089 4.470 0.002 0.000 0.274 125 S C -0.936 173.637 174.600 -0.044 0.000 1.168 125 S CA -0.960 57.224 58.200 -0.028 0.000 0.963 125 S CB 0.966 64.215 63.200 0.083 0.000 1.078 125 S HN 0.369 nan 8.310 nan 0.000 0.477 126 S N 1.982 117.658 115.700 -0.040 0.000 2.610 126 S HA 0.750 5.221 4.470 0.002 0.000 0.273 126 S C 0.811 175.460 174.600 0.082 0.000 1.274 126 S CA -0.344 57.856 58.200 -0.000 0.000 1.023 126 S CB 1.028 64.213 63.200 -0.025 0.000 0.962 126 S HN 1.123 nan 8.310 nan 0.000 0.523 127 G N 0.534 109.431 108.800 0.161 0.000 2.507 127 G HA2 0.552 4.513 3.960 0.002 0.000 0.271 127 G HA3 0.552 4.513 3.960 0.002 0.000 0.271 127 G C -0.985 173.933 174.900 0.031 0.000 1.189 127 G CA -0.672 44.560 45.100 0.220 0.000 0.859 127 G HN 0.563 nan 8.290 nan 0.000 0.542 128 L N 0.440 121.490 121.223 -0.289 0.000 2.313 128 L HA 0.537 4.878 4.340 0.002 0.000 0.283 128 L C -0.948 175.608 176.870 -0.522 0.000 1.013 128 L CA -0.487 54.185 54.840 -0.280 0.000 0.816 128 L CB 1.601 43.530 42.059 -0.217 0.000 1.236 128 L HN 0.346 nan 8.230 nan 0.000 0.419 129 F N 2.346 122.373 119.950 0.129 0.000 2.532 129 F HA 0.761 5.289 4.527 0.001 0.000 0.321 129 F C -0.025 175.906 175.800 0.218 0.000 1.089 129 F CA -0.889 57.232 58.000 0.202 0.000 0.926 129 F CB 2.311 41.460 39.000 0.248 0.000 1.168 129 F HN 0.139 nan 8.300 nan 0.000 0.459 130 V N -1.622 118.524 119.914 0.386 0.000 3.078 130 V HA 0.598 4.719 4.120 0.002 0.000 0.311 130 V C -1.343 174.947 176.094 0.327 0.000 1.138 130 V CA -1.063 61.403 62.300 0.277 0.000 1.007 130 V CB 2.094 34.031 31.823 0.191 0.000 1.045 130 V HN 0.519 nan 8.190 nan 0.000 0.432 131 D N 1.798 122.355 120.400 0.263 0.000 2.316 131 D HA 0.490 5.131 4.640 0.002 0.000 0.245 131 D C -0.492 175.929 176.300 0.201 0.000 1.171 131 D CA 0.115 54.251 54.000 0.228 0.000 0.856 131 D CB 1.741 42.654 40.800 0.188 0.000 1.090 131 D HN 0.449 nan 8.370 nan 0.000 0.476 132 V N 3.932 123.943 119.914 0.162 0.000 2.328 132 V HA 0.176 4.297 4.120 0.002 0.000 0.278 132 V C 0.343 176.429 176.094 -0.013 0.000 1.021 132 V CA -0.717 61.620 62.300 0.061 0.000 0.838 132 V CB 1.087 32.962 31.823 0.087 0.000 0.999 132 V HN 0.258 nan 8.190 nan 0.000 0.447 133 K N 3.730 124.092 120.400 -0.064 0.000 2.174 133 K HA 0.472 4.793 4.320 0.002 0.000 0.275 133 K C -0.044 176.482 176.600 -0.122 0.000 1.015 133 K CA -0.548 55.698 56.287 -0.069 0.000 0.933 133 K CB 0.999 33.469 32.500 -0.051 0.000 1.025 133 K HN 0.301 nan 8.250 nan 0.000 0.463 134 K N 3.174 123.513 120.400 -0.102 0.000 2.575 134 K HA 0.170 4.491 4.320 0.002 0.000 0.236 134 K C -1.081 175.439 176.600 -0.134 0.000 0.976 134 K CA -0.479 55.730 56.287 -0.131 0.000 0.985 134 K CB 0.845 33.282 32.500 -0.105 0.000 1.198 134 K HN 0.477 nan 8.250 nan 0.000 0.464 135 R N 2.365 122.766 120.500 -0.166 0.000 2.205 135 R HA 0.086 4.427 4.340 0.002 0.000 0.342 135 R C -0.539 175.581 176.300 -0.301 0.000 1.058 135 R CA 0.002 55.997 56.100 -0.175 0.000 0.904 135 R CB 0.684 30.900 30.300 -0.140 0.000 1.089 135 R HN 0.429 nan 8.270 nan 0.000 0.471 136 T N 5.410 119.814 114.554 -0.250 0.000 3.176 136 T HA 0.132 4.483 4.350 0.002 0.000 0.301 136 T C 0.985 175.559 174.700 -0.210 0.000 1.115 136 T CA -0.248 61.660 62.100 -0.320 0.000 1.027 136 T CB -0.325 68.454 68.868 -0.150 0.000 1.063 136 T HN 0.495 nan 8.240 nan 0.000 0.669 137 Y N 3.289 123.572 120.300 -0.029 0.000 1.341 137 Y HA -0.315 4.236 4.550 0.002 0.000 0.090 137 Y C 1.093 176.983 175.900 -0.016 0.000 0.627 137 Y CA 1.648 59.736 58.100 -0.020 0.000 0.329 137 Y CB -1.091 37.358 38.460 -0.019 0.000 0.536 137 Y HN 0.671 nan 8.280 nan 0.000 0.792 138 E N -1.254 119.077 120.200 0.219 0.000 7.438 138 E HA 0.127 4.478 4.350 0.002 0.000 0.230 138 E C -0.209 176.452 176.600 0.102 0.000 0.890 138 E CA 0.343 56.812 56.400 0.115 0.000 1.606 138 E CB -0.965 28.775 29.700 0.067 0.000 0.905 138 E HN 0.735 nan 8.360 nan 0.000 0.266 139 A N 2.732 125.581 122.820 0.050 0.000 2.911 139 A HA 0.637 4.958 4.320 0.002 0.000 0.202 139 A C 1.238 178.816 177.584 -0.010 0.000 2.026 139 A CA 0.638 52.672 52.037 -0.005 0.000 0.923 139 A CB 0.098 19.070 19.000 -0.046 0.000 1.859 139 A HN 0.551 nan 8.150 nan 0.000 0.782 140 I N -2.712 117.830 120.570 -0.047 0.000 3.673 140 I HA 0.168 4.339 4.170 0.002 0.000 0.281 140 I C -0.260 175.844 176.117 -0.021 0.000 1.182 140 I CA 0.229 61.504 61.300 -0.041 0.000 1.391 140 I CB -0.297 37.650 38.000 -0.087 0.000 1.383 140 I HN 0.501 nan 8.210 nan 0.000 0.456 165 V N 2.193 122.373 119.914 0.443 0.000 2.569 165 V HA 0.383 4.505 4.120 0.002 0.000 0.301 165 V C -0.760 175.616 176.094 0.469 0.000 1.044 165 V CA -0.864 61.689 62.300 0.422 0.000 0.874 165 V CB 1.343 33.343 31.823 0.295 0.000 1.002 165 V HN 0.140 nan 8.190 nan 0.000 0.424 166 F N 6.058 126.144 119.950 0.227 0.000 2.456 166 F HA 0.561 5.090 4.527 0.003 0.000 0.358 166 F C 0.317 176.033 175.800 -0.140 0.000 1.095 166 F CA -0.541 57.345 58.000 -0.190 0.000 1.216 166 F CB 0.692 39.643 39.000 -0.081 0.000 1.125 166 F HN 0.294 nan 8.300 nan 0.000 0.549 167 I N 6.374 126.281 120.570 -1.104 0.000 2.933 167 I HA 0.255 4.426 4.170 0.002 0.000 0.306 167 I C 0.449 176.054 176.117 -0.852 0.000 1.516 167 I CA 0.073 60.971 61.300 -0.670 0.000 0.819 167 I CB -0.150 37.670 38.000 -0.299 0.000 2.085 167 I HN 0.802 nan 8.210 nan 0.000 0.621 168 G N 3.178 111.239 108.800 -1.232 0.000 2.894 168 G HA2 -0.254 3.708 3.960 0.002 0.000 0.247 168 G HA3 -0.254 3.708 3.960 0.002 0.000 0.247 168 G C -0.215 174.418 174.900 -0.444 0.000 1.442 168 G CA -0.624 44.067 45.100 -0.681 0.000 0.897 168 G HN 0.500 nan 8.290 nan 0.000 0.550 169 R N -0.895 119.553 120.500 -0.086 0.000 2.494 169 R HA 0.549 4.890 4.340 0.002 0.000 0.305 169 R C -0.442 175.895 176.300 0.062 0.000 0.959 169 R CA -0.911 55.215 56.100 0.043 0.000 0.864 169 R CB 1.597 31.982 30.300 0.143 0.000 1.159 169 R HN 0.611 nan 8.270 nan 0.000 0.446 170 L N 5.529 126.807 121.223 0.093 0.000 2.265 170 L HA 0.505 4.846 4.340 0.002 0.000 0.289 170 L C -2.512 174.470 176.870 0.186 0.000 1.033 170 L CA -2.102 52.835 54.840 0.162 0.000 0.814 170 L CB 1.121 43.288 42.059 0.181 0.000 1.203 170 L HN 0.429 nan 8.230 nan 0.000 0.423 171 P HA 0.141 nan 4.420 nan 0.000 0.268 171 P C -0.892 176.683 177.300 0.459 0.000 1.205 171 P CA 0.016 63.261 63.100 0.242 0.000 0.771 171 P CB 0.451 32.227 31.700 0.128 0.000 0.858 172 I N 3.502 124.290 120.570 0.362 0.000 2.392 172 I HA 0.331 4.502 4.170 0.002 0.000 0.295 172 I C 0.589 176.662 176.117 -0.072 0.000 0.985 172 I CA -1.022 60.429 61.300 0.251 0.000 1.221 172 I CB 0.989 39.009 38.000 0.033 0.000 1.366 172 I HN 0.426 nan 8.210 nan 0.000 0.467 173 M N 6.232 125.284 119.600 -0.913 0.000 2.188 173 M HA 0.248 4.729 4.480 0.002 0.000 0.354 173 M C -0.981 174.937 176.300 -0.638 0.000 1.342 173 M CA -0.432 54.045 55.300 -1.372 0.000 1.117 173 M CB 0.529 31.979 32.600 -1.916 0.000 1.670 173 M HN 0.323 nan 8.290 nan 0.000 0.466 174 L N 5.691 126.544 121.223 -0.617 0.000 2.453 174 L HA 0.170 4.511 4.340 0.002 0.000 0.272 174 L C 1.162 177.835 176.870 -0.329 0.000 1.182 174 L CA 1.011 55.584 54.840 -0.444 0.000 0.858 174 L CB 0.373 41.972 42.059 -0.768 0.000 1.120 174 L HN 0.960 nan 8.230 nan 0.000 0.474 175 R N 0.612 121.016 120.500 -0.159 0.000 3.908 175 R HA -0.173 4.168 4.340 0.002 0.000 0.381 175 R C -0.025 176.239 176.300 -0.060 0.000 1.135 175 R CA 0.854 56.900 56.100 -0.091 0.000 0.990 175 R CB -1.435 28.805 30.300 -0.101 0.000 1.557 175 R HN 0.838 nan 8.270 nan 0.000 0.535 176 S N -0.795 114.874 115.700 -0.051 0.000 2.671 176 S HA 0.326 4.797 4.470 0.002 0.000 0.272 176 S C 1.075 175.708 174.600 0.055 0.000 1.174 176 S CA -0.325 57.898 58.200 0.038 0.000 1.004 176 S CB 1.262 64.558 63.200 0.160 0.000 1.077 176 S HN 0.329 nan 8.310 nan 0.000 0.553 177 K N 0.292 120.739 120.400 0.079 0.000 2.097 177 K HA -0.095 4.226 4.320 0.002 0.000 0.206 177 K C 1.661 178.268 176.600 0.012 0.000 1.049 177 K CA 1.629 57.940 56.287 0.039 0.000 0.933 177 K CB -0.462 32.057 32.500 0.033 0.000 0.717 177 K HN 0.587 nan 8.250 nan 0.000 0.442 178 N N 0.113 118.830 118.700 0.028 0.000 2.467 178 N HA -0.052 4.689 4.740 0.002 0.000 0.184 178 N C -0.172 175.252 175.510 -0.143 0.000 1.106 178 N CA 0.113 53.139 53.050 -0.041 0.000 0.892 178 N CB 0.223 38.713 38.487 0.005 0.000 0.969 178 N HN 0.125 nan 8.380 nan 0.000 0.454 179 C N -0.222 119.039 119.300 -0.065 0.000 2.405 179 C HA 0.257 4.718 4.460 0.002 0.000 0.365 179 C C 1.542 176.518 174.990 -0.024 0.000 1.233 179 C CA -0.698 58.296 59.018 -0.040 0.000 2.230 179 C CB -0.640 27.168 27.740 0.112 0.000 2.443 179 C HN 0.519 nan 8.230 nan 0.000 0.556 180 Y N 2.332 122.720 120.300 0.146 0.000 2.421 180 Y HA -0.025 4.527 4.550 0.003 0.000 0.292 180 Y C 2.035 178.010 175.900 0.124 0.000 1.136 180 Y CA 1.124 59.300 58.100 0.127 0.000 1.255 180 Y CB -0.158 38.399 38.460 0.162 0.000 0.991 180 Y HN 0.599 nan 8.280 nan 0.000 0.552 181 L N -0.459 120.908 121.223 0.239 0.000 2.478 181 L HA -0.107 4.234 4.340 0.002 0.000 0.223 181 L C 2.416 179.330 176.870 0.072 0.000 1.140 181 L CA 0.911 55.830 54.840 0.131 0.000 0.842 181 L CB -0.621 41.473 42.059 0.059 0.000 0.953 181 L HN 0.284 nan 8.230 nan 0.000 0.452 182 S N 0.905 116.645 115.700 0.066 0.000 2.419 182 S HA -0.167 4.304 4.470 0.002 0.000 0.233 182 S C 0.907 175.528 174.600 0.034 0.000 1.016 182 S CA 1.154 59.375 58.200 0.034 0.000 0.974 182 S CB -0.229 62.988 63.200 0.027 0.000 0.786 182 S HN 0.567 nan 8.310 nan 0.000 0.492 183 E N 0.927 121.157 120.200 0.051 0.000 3.858 183 E HA 0.704 5.056 4.350 0.002 0.000 0.208 183 E C -0.498 176.129 176.600 0.045 0.000 1.041 183 E CA -0.231 56.193 56.400 0.040 0.000 1.368 183 E CB 0.103 29.826 29.700 0.039 0.000 1.176 183 E HN 0.449 nan 8.360 nan 0.000 0.448 184 A N 0.907 123.751 122.820 0.040 0.000 2.301 184 A HA 0.635 4.956 4.320 0.002 0.000 0.312 184 A C 0.584 178.163 177.584 -0.007 0.000 1.182 184 A CA -0.490 51.561 52.037 0.025 0.000 0.826 184 A CB 0.343 19.361 19.000 0.029 0.000 1.134 184 A HN 0.330 nan 8.150 nan 0.000 0.501 185 T N -0.426 114.122 114.554 -0.010 0.000 2.860 185 T HA 0.193 4.544 4.350 0.002 0.000 0.299 185 T C 0.995 175.666 174.700 -0.049 0.000 1.045 185 T CA 0.289 62.376 62.100 -0.023 0.000 1.071 185 T CB 0.952 69.814 68.868 -0.009 0.000 0.985 185 T HN 0.790 nan 8.240 nan 0.000 0.537 186 E N 1.023 121.185 120.200 -0.064 0.000 2.097 186 E HA -0.259 4.092 4.350 0.002 0.000 0.196 186 E C 2.106 178.670 176.600 -0.060 0.000 1.000 186 E CA 1.839 58.167 56.400 -0.120 0.000 0.804 186 E CB -0.377 29.263 29.700 -0.100 0.000 0.740 186 E HN 0.836 nan 8.360 nan 0.000 0.454 187 S N 0.408 116.133 115.700 0.041 0.000 2.399 187 S HA -0.176 4.295 4.470 0.002 0.000 0.231 187 S C 1.566 176.198 174.600 0.054 0.000 1.022 187 S CA 1.361 59.628 58.200 0.112 0.000 0.983 187 S CB -0.198 63.038 63.200 0.061 0.000 0.803 187 S HN 0.283 nan 8.310 nan 0.000 0.480 188 D N 1.637 122.034 120.400 -0.006 0.000 2.178 188 D HA 0.043 4.684 4.640 0.002 0.000 0.202 188 D C 1.911 178.175 176.300 -0.060 0.000 0.974 188 D CA 0.847 54.829 54.000 -0.030 0.000 0.841 188 D CB -0.211 40.574 40.800 -0.025 0.000 0.953 188 D HN 0.401 nan 8.370 nan 0.000 0.478 189 L N -0.316 120.842 121.223 -0.109 0.000 2.093 189 L HA -0.159 4.182 4.340 0.002 0.000 0.208 189 L C 2.367 179.131 176.870 -0.177 0.000 1.085 189 L CA 0.894 55.629 54.840 -0.175 0.000 0.755 189 L CB -0.416 41.476 42.059 -0.280 0.000 0.904 189 L HN 0.056 nan 8.230 nan 0.000 0.435 190 Y N -0.017 120.236 120.300 -0.079 0.000 2.200 190 Y HA -0.225 4.326 4.550 0.001 0.000 0.290 190 Y C 2.660 178.508 175.900 -0.087 0.000 1.137 190 Y CA 1.048 59.097 58.100 -0.085 0.000 1.163 190 Y CB -0.101 38.307 38.460 -0.088 0.000 0.988 190 Y HN 0.003 nan 8.280 nan 0.000 0.518 191 K N 0.225 120.665 120.400 0.066 0.000 2.103 191 K HA -0.181 4.141 4.320 0.002 0.000 0.207 191 K C 1.565 178.123 176.600 -0.069 0.000 1.048 191 K CA 1.286 57.563 56.287 -0.016 0.000 0.930 191 K CB -0.361 32.114 32.500 -0.042 0.000 0.716 191 K HN 0.358 nan 8.250 nan 0.000 0.444 192 L N 0.438 121.605 121.223 -0.093 0.000 2.591 192 L HA 0.017 4.358 4.340 0.002 0.000 0.228 192 L C 0.417 177.240 176.870 -0.078 0.000 1.133 192 L CA 0.289 55.045 54.840 -0.139 0.000 0.880 192 L CB -0.058 41.906 42.059 -0.158 0.000 1.033 192 L HN 0.167 nan 8.230 nan 0.000 0.450 193 K N -1.054 119.319 120.400 -0.044 0.000 3.495 193 K HA -0.200 4.121 4.320 0.002 0.000 0.315 193 K C 0.215 176.799 176.600 -0.027 0.000 1.301 193 K CA 0.874 57.147 56.287 -0.024 0.000 0.985 193 K CB -0.918 31.568 32.500 -0.024 0.000 1.244 193 K HN 0.265 nan 8.250 nan 0.000 0.433 194 E N 0.986 121.158 120.200 -0.047 0.000 2.313 194 E HA 0.075 4.426 4.350 0.002 0.000 0.276 194 E C -0.192 176.347 176.600 -0.101 0.000 1.031 194 E CA -0.215 56.161 56.400 -0.040 0.000 0.857 194 E CB 1.272 30.956 29.700 -0.027 0.000 1.040 194 E HN 0.258 nan 8.360 nan 0.000 0.408 195 C N 6.525 125.793 119.300 -0.053 0.000 2.648 195 C HA 0.157 4.618 4.460 0.002 0.000 0.419 195 C C -0.981 173.908 174.990 -0.168 0.000 1.352 195 C CA -1.461 57.504 59.018 -0.088 0.000 1.816 195 C CB -0.105 27.663 27.740 0.046 0.000 2.598 195 C HN 0.567 nan 8.230 nan 0.000 0.598 196 P HA -0.002 nan 4.420 nan 0.000 0.237 196 P C 0.819 177.896 177.300 -0.371 0.000 1.178 196 P CA 1.215 64.045 63.100 -0.450 0.000 0.766 196 P CB -0.133 31.139 31.700 -0.714 0.000 0.876 197 F N 0.117 120.007 119.950 -0.100 0.000 2.789 197 F HA 0.092 4.620 4.527 0.002 0.000 0.300 197 F C 1.069 176.944 175.800 0.126 0.000 1.132 197 F CA -0.329 57.641 58.000 -0.049 0.000 1.404 197 F CB -0.237 38.626 39.000 -0.228 0.000 1.114 197 F HN -0.099 nan 8.300 nan 0.000 0.584 198 D N 0.882 121.432 120.400 0.250 0.000 2.350 198 D HA 0.012 4.653 4.640 0.002 0.000 0.249 198 D C 1.389 177.827 176.300 0.230 0.000 1.119 198 D CA -0.090 54.080 54.000 0.284 0.000 0.886 198 D CB 0.782 41.720 40.800 0.230 0.000 1.195 198 D HN 0.000 nan 8.370 nan 0.000 0.437 199 M N 2.170 121.918 119.600 0.246 0.000 2.510 199 M HA 0.277 4.758 4.480 0.002 0.000 0.256 199 M C 0.980 177.347 176.300 0.111 0.000 1.132 199 M CA 0.702 56.102 55.300 0.166 0.000 1.105 199 M CB -1.191 31.494 32.600 0.142 0.000 1.375 199 M HN 0.453 nan 8.290 nan 0.000 0.477 200 G N 0.696 109.607 108.800 0.185 0.000 2.593 200 G HA2 0.088 4.049 3.960 0.002 0.000 0.237 200 G HA3 0.088 4.049 3.960 0.002 0.000 0.237 200 G C 0.630 175.518 174.900 -0.020 0.000 1.312 200 G CA 0.769 45.846 45.100 -0.037 0.000 0.896 200 G HN 1.543 nan 8.290 nan 0.000 0.574 201 G N -2.774 105.870 108.800 -0.261 0.000 2.176 201 G HA2 0.136 4.097 3.960 0.002 0.000 0.253 201 G HA3 0.136 4.097 3.960 0.002 0.000 0.253 201 G C 0.386 175.140 174.900 -0.243 0.000 0.979 201 G CA 1.677 46.645 45.100 -0.220 0.000 0.641 201 G HN 2.368 nan 8.290 nan 0.000 0.530 202 Y N -1.281 118.821 120.300 -0.331 0.000 2.587 202 Y HA 0.847 5.398 4.550 0.001 0.000 0.337 202 Y C 0.258 175.899 175.900 -0.431 0.000 1.065 202 Y CA -2.473 55.450 58.100 -0.294 0.000 1.126 202 Y CB 0.768 39.135 38.460 -0.156 0.000 1.279 202 Y HN -0.045 nan 8.280 nan 0.000 0.489 203 F N 0.641 120.606 119.950 0.025 0.000 2.377 203 F HA 0.654 5.182 4.527 0.001 0.000 0.335 203 F C -0.242 175.625 175.800 0.112 0.000 1.099 203 F CA -0.995 57.000 58.000 -0.007 0.000 1.072 203 F CB 0.917 39.925 39.000 0.014 0.000 1.417 203 F HN 0.298 nan 8.300 nan 0.000 0.495 204 I N 2.659 123.426 120.570 0.329 0.000 2.497 204 I HA 0.269 4.440 4.170 0.002 0.000 0.284 204 I C -1.449 174.804 176.117 0.226 0.000 1.060 204 I CA -0.361 61.089 61.300 0.251 0.000 1.071 204 I CB 1.553 39.671 38.000 0.196 0.000 1.216 204 I HN 0.168 nan 8.210 nan 0.000 0.442 205 I N 6.565 127.237 120.570 0.171 0.000 2.420 205 I HA 0.309 4.480 4.170 0.002 0.000 0.282 205 I C -0.051 176.123 176.117 0.095 0.000 1.019 205 I CA -0.600 60.774 61.300 0.123 0.000 1.130 205 I CB 0.915 38.967 38.000 0.087 0.000 1.262 205 I HN 0.657 nan 8.210 nan 0.000 0.454 206 N N 4.374 123.127 118.700 0.088 0.000 2.756 206 N HA -0.179 4.562 4.740 0.002 0.000 0.248 206 N C 0.976 176.525 175.510 0.066 0.000 1.062 206 N CA 0.943 54.028 53.050 0.057 0.000 0.696 206 N CB -1.387 37.121 38.487 0.035 0.000 0.946 206 N HN 1.117 nan 8.380 nan 0.000 0.548 207 G N -0.801 108.055 108.800 0.095 0.000 2.225 207 G HA2 -0.299 3.663 3.960 0.002 0.000 0.267 207 G HA3 -0.299 3.663 3.960 0.002 0.000 0.267 207 G C -0.060 174.897 174.900 0.095 0.000 1.024 207 G CA 0.896 46.060 45.100 0.106 0.000 0.784 207 G HN 1.240 nan 8.290 nan 0.000 0.507 208 S N -0.001 115.755 115.700 0.094 0.000 2.552 208 S HA 0.563 5.034 4.470 0.002 0.000 0.314 208 S C 0.179 174.841 174.600 0.103 0.000 1.099 208 S CA -0.037 58.210 58.200 0.077 0.000 1.070 208 S CB 0.811 64.046 63.200 0.059 0.000 0.998 208 S HN 0.549 nan 8.310 nan 0.000 0.474 209 E N 4.484 124.736 120.200 0.088 0.000 2.257 209 E HA 0.328 4.679 4.350 0.002 0.000 0.278 209 E C -0.606 176.056 176.600 0.104 0.000 1.049 209 E CA -0.663 55.826 56.400 0.148 0.000 0.876 209 E CB 0.511 30.243 29.700 0.054 0.000 1.035 209 E HN 0.282 nan 8.360 nan 0.000 0.419 210 K N 2.721 123.240 120.400 0.198 0.000 2.221 210 K HA 0.407 4.728 4.320 0.002 0.000 0.258 210 K C -0.863 175.828 176.600 0.152 0.000 0.944 210 K CA -1.076 55.295 56.287 0.140 0.000 0.823 210 K CB 2.458 35.051 32.500 0.156 0.000 1.113 210 K HN 0.350 nan 8.250 nan 0.000 0.431 211 V N 4.126 124.036 119.914 -0.007 0.000 2.398 211 V HA 0.316 4.437 4.120 0.002 0.000 0.286 211 V C 0.190 176.264 176.094 -0.033 0.000 1.026 211 V CA -0.899 61.362 62.300 -0.064 0.000 0.868 211 V CB 1.457 33.060 31.823 -0.367 0.000 0.982 211 V HN 0.563 nan 8.190 nan 0.000 0.443 212 L N 5.929 127.171 121.223 0.032 0.000 2.361 212 L HA 0.343 4.684 4.340 0.002 0.000 0.278 212 L C -0.210 176.602 176.870 -0.098 0.000 1.113 212 L CA -0.209 54.592 54.840 -0.066 0.000 0.849 212 L CB 0.615 42.659 42.059 -0.025 0.000 1.155 212 L HN 0.426 nan 8.230 nan 0.000 0.452 213 I N 3.717 124.212 120.570 -0.126 0.000 2.352 213 I HA 0.186 4.357 4.170 0.002 0.000 0.290 213 I C 0.909 176.956 176.117 -0.115 0.000 1.036 213 I CA -0.343 60.906 61.300 -0.085 0.000 1.336 213 I CB 1.069 39.041 38.000 -0.047 0.000 1.407 213 I HN 0.610 nan 8.210 nan 0.000 0.497 214 A N 7.916 130.691 122.820 -0.075 0.000 2.603 214 A HA 0.008 4.329 4.320 0.002 0.000 0.235 214 A C 0.284 177.830 177.584 -0.065 0.000 1.035 214 A CA 0.220 52.218 52.037 -0.065 0.000 0.755 214 A CB -0.040 18.942 19.000 -0.030 0.000 0.954 214 A HN 0.685 nan 8.150 nan 0.000 0.511 215 Q N 1.474 121.231 119.800 -0.071 0.000 2.333 215 Q HA 0.269 4.611 4.340 0.002 0.000 0.268 215 Q C -0.605 175.378 176.000 -0.029 0.000 1.007 215 Q CA -0.262 55.506 55.803 -0.059 0.000 0.810 215 Q CB 1.782 30.466 28.738 -0.089 0.000 1.264 215 Q HN 0.871 nan 8.270 nan 0.000 0.452 216 E N 2.959 123.158 120.200 -0.003 0.000 2.257 216 E HA 0.235 4.586 4.350 0.002 0.000 0.278 216 E C -0.469 176.136 176.600 0.009 0.000 1.049 216 E CA -0.114 56.298 56.400 0.020 0.000 0.876 216 E CB 0.577 30.318 29.700 0.068 0.000 1.035 216 E HN 0.440 nan 8.360 nan 0.000 0.419 217 R N 1.250 121.747 120.500 -0.005 0.000 2.799 217 R HA 0.440 4.781 4.340 0.002 0.000 0.270 217 R C -0.963 175.331 176.300 -0.009 0.000 1.010 217 R CA -0.899 55.200 56.100 -0.001 0.000 0.916 217 R CB 1.292 31.591 30.300 -0.002 0.000 1.228 217 R HN 0.253 nan 8.270 nan 0.000 0.469 218 S N 0.378 116.079 115.700 0.002 0.000 2.580 218 S HA 0.581 5.052 4.470 0.002 0.000 0.274 218 S C -0.077 174.517 174.600 -0.009 0.000 1.329 218 S CA -0.144 58.056 58.200 0.001 0.000 1.036 218 S CB 0.460 63.672 63.200 0.020 0.000 0.919 218 S HN 0.752 nan 8.310 nan 0.000 0.515 219 A N 3.596 126.401 122.820 -0.025 0.000 2.354 219 A HA 0.636 4.957 4.320 0.002 0.000 0.269 219 A C 0.790 178.371 177.584 -0.005 0.000 1.109 219 A CA -0.080 51.939 52.037 -0.029 0.000 0.800 219 A CB -0.044 18.915 19.000 -0.069 0.000 1.045 219 A HN 1.018 nan 8.150 nan 0.000 0.489 220 G N 0.167 108.965 108.800 -0.004 0.000 2.557 220 G HA2 0.412 4.374 3.960 0.002 0.000 0.292 220 G HA3 0.412 4.374 3.960 0.002 0.000 0.292 220 G C 0.267 175.142 174.900 -0.042 0.000 1.237 220 G CA -0.043 45.045 45.100 -0.020 0.000 0.978 220 G HN 0.978 nan 8.290 nan 0.000 0.498 221 N N -2.002 116.615 118.700 -0.139 0.000 2.765 221 N HA -0.181 4.560 4.740 0.002 0.000 0.248 221 N C 0.182 175.664 175.510 -0.048 0.000 1.063 221 N CA 1.277 54.157 53.050 -0.283 0.000 0.862 221 N CB -1.195 37.065 38.487 -0.378 0.000 1.145 221 N HN 0.539 nan 8.380 nan 0.000 0.581 222 I N 0.633 121.223 120.570 0.033 0.000 2.385 222 I HA 0.308 4.479 4.170 0.002 0.000 0.294 222 I C 0.588 176.752 176.117 0.077 0.000 0.988 222 I CA -0.827 60.518 61.300 0.075 0.000 1.265 222 I CB 1.981 40.013 38.000 0.053 0.000 1.388 222 I HN -0.196 nan 8.210 nan 0.000 0.480 223 V N 6.837 126.805 119.914 0.090 0.000 2.394 223 V HA 0.434 4.555 4.120 0.002 0.000 0.282 223 V C -0.628 175.435 176.094 -0.053 0.000 1.031 223 V CA -0.030 62.314 62.300 0.074 0.000 0.881 223 V CB 1.473 33.390 31.823 0.156 0.000 0.982 223 V HN 0.835 nan 8.190 nan 0.000 0.451 224 Q N 4.958 124.682 119.800 -0.127 0.000 2.331 224 Q HA 0.620 4.961 4.340 0.002 0.000 0.272 224 Q C -1.095 174.579 176.000 -0.543 0.000 1.062 224 Q CA -0.825 54.760 55.803 -0.363 0.000 0.806 224 Q CB 2.657 31.124 28.738 -0.453 0.000 1.312 224 Q HN 0.780 nan 8.270 nan 0.000 0.431 225 V N -0.896 118.673 119.914 -0.576 0.000 2.539 225 V HA 0.690 4.811 4.120 0.002 0.000 0.292 225 V C -0.768 174.944 176.094 -0.636 0.000 1.045 225 V CA -0.489 61.553 62.300 -0.429 0.000 0.945 225 V CB 0.575 32.293 31.823 -0.175 0.000 0.993 225 V HN 0.675 nan 8.190 nan 0.000 0.464 226 F N 1.743 121.706 119.950 0.021 0.000 2.659 226 F HA 0.464 4.993 4.527 0.002 0.000 0.342 226 F C 0.463 176.211 175.800 -0.087 0.000 1.168 226 F CA -0.910 57.079 58.000 -0.020 0.000 1.003 226 F CB 1.912 40.900 39.000 -0.020 0.000 1.267 226 F HN 0.457 nan 8.300 nan 0.000 0.463 227 K N 4.039 124.444 120.400 0.009 0.000 2.511 227 K HA 0.098 4.419 4.320 0.002 0.000 0.280 227 K C -0.161 176.350 176.600 -0.149 0.000 1.008 227 K CA 0.368 56.475 56.287 -0.300 0.000 1.050 227 K CB 0.707 33.064 32.500 -0.238 0.000 0.889 227 K HN 0.551 nan 8.250 nan 0.000 0.484 228 K N 1.256 121.537 120.400 -0.197 0.000 2.156 228 K HA 0.303 4.624 4.320 0.002 0.000 0.250 228 K C -0.527 176.017 176.600 -0.092 0.000 0.955 228 K CA -0.747 55.480 56.287 -0.101 0.000 0.855 228 K CB 1.766 34.222 32.500 -0.073 0.000 1.101 228 K HN 0.690 nan 8.250 nan 0.000 0.434 229 A N 1.629 124.409 122.820 -0.066 0.000 2.600 229 A HA -0.014 4.307 4.320 0.002 0.000 0.244 229 A C 1.323 178.878 177.584 -0.047 0.000 1.016 229 A CA 1.029 53.035 52.037 -0.052 0.000 0.778 229 A CB -0.151 18.822 19.000 -0.044 0.000 0.920 229 A HN 0.923 nan 8.150 nan 0.000 0.513 230 A N 4.409 127.206 122.820 -0.037 0.000 1.997 230 A HA -0.096 4.225 4.320 0.002 0.000 0.221 230 A C 0.080 177.651 177.584 -0.022 0.000 1.172 230 A CA 1.921 53.942 52.037 -0.027 0.000 0.645 230 A CB -1.189 17.800 19.000 -0.018 0.000 0.813 230 A HN 0.768 nan 8.150 nan 0.000 0.454 231 P HA 0.110 nan 4.420 nan 0.000 0.255 231 P C -0.078 177.209 177.300 -0.023 0.000 1.427 231 P CA 0.715 63.804 63.100 -0.017 0.000 0.863 231 P CB -0.414 31.278 31.700 -0.014 0.000 1.444 232 S N -0.110 115.569 115.700 -0.034 0.000 2.566 232 S HA 0.580 5.051 4.470 0.002 0.000 0.298 232 S C -1.857 172.704 174.600 -0.064 0.000 1.083 232 S CA -1.454 56.716 58.200 -0.050 0.000 0.978 232 S CB 2.243 65.406 63.200 -0.063 0.000 1.073 232 S HN -0.219 nan 8.310 nan 0.000 0.491 233 P HA 0.072 nan 4.420 nan 0.000 0.220 233 P C 0.773 177.963 177.300 -0.183 0.000 1.152 233 P CA 0.541 63.575 63.100 -0.109 0.000 0.812 233 P CB -0.371 31.261 31.700 -0.113 0.000 0.792 234 I N -0.929 119.477 120.570 -0.273 0.000 2.436 234 I HA 0.169 4.341 4.170 0.002 0.000 0.289 234 I C 1.424 177.487 176.117 -0.090 0.000 1.083 234 I CA 0.277 61.424 61.300 -0.255 0.000 1.372 234 I CB 0.521 38.334 38.000 -0.311 0.000 1.408 234 I HN -0.144 nan 8.210 nan 0.000 0.516 235 S N 4.988 120.690 115.700 0.003 0.000 2.357 235 S HA -0.051 4.420 4.470 0.002 0.000 0.221 235 S C 0.478 175.073 174.600 -0.007 0.000 1.031 235 S CA 1.034 59.283 58.200 0.082 0.000 0.982 235 S CB -0.124 63.227 63.200 0.251 0.000 0.853 235 S HN 0.856 nan 8.310 nan 0.000 0.458 236 H N -1.750 117.322 119.070 0.003 0.000 2.946 236 H HA 0.746 5.303 4.556 0.002 0.000 0.365 236 H C -1.330 174.017 175.328 0.031 0.000 1.197 236 H CA -0.498 55.562 56.048 0.020 0.000 1.131 236 H CB 2.017 31.782 29.762 0.006 0.000 1.849 236 H HN 0.071 nan 8.280 nan 0.000 0.555 237 V N 0.459 120.470 119.914 0.162 0.000 2.932 237 V HA 0.720 4.842 4.120 0.002 0.000 0.307 237 V C -0.712 175.440 176.094 0.097 0.000 1.147 237 V CA -0.915 61.462 62.300 0.129 0.000 0.951 237 V CB 1.943 33.842 31.823 0.127 0.000 1.031 237 V HN 0.971 nan 8.190 nan 0.000 0.426 238 A N 3.139 126.001 122.820 0.071 0.000 2.317 238 A HA 0.877 5.199 4.320 0.002 0.000 0.327 238 A C -0.469 177.158 177.584 0.071 0.000 1.178 238 A CA -0.476 51.575 52.037 0.022 0.000 0.817 238 A CB 0.944 19.944 19.000 -0.001 0.000 1.189 238 A HN 0.841 nan 8.150 nan 0.000 0.489 239 E N 0.974 121.215 120.200 0.067 0.000 2.293 239 E HA 0.593 4.944 4.350 0.002 0.000 0.270 239 E C -1.699 174.964 176.600 0.105 0.000 0.879 239 E CA -0.456 56.012 56.400 0.114 0.000 0.756 239 E CB 2.658 32.468 29.700 0.184 0.000 1.208 239 E HN 0.631 nan 8.360 nan 0.000 0.428 240 I N 1.938 122.575 120.570 0.111 0.000 2.569 240 I HA 0.354 4.525 4.170 0.002 0.000 0.290 240 I C -1.314 174.839 176.117 0.060 0.000 1.088 240 I CA -0.685 60.675 61.300 0.101 0.000 1.047 240 I CB 1.242 39.345 38.000 0.172 0.000 1.237 240 I HN 0.431 nan 8.210 nan 0.000 0.421 241 R N 5.376 125.895 120.500 0.031 0.000 2.346 241 R HA 0.347 4.688 4.340 0.002 0.000 0.309 241 R C -0.626 175.653 176.300 -0.034 0.000 1.119 241 R CA -0.492 55.619 56.100 0.018 0.000 1.112 241 R CB 0.799 31.117 30.300 0.031 0.000 1.132 241 R HN 0.600 nan 8.270 nan 0.000 0.538 242 S N 0.989 116.667 115.700 -0.037 0.000 2.452 242 S HA 0.755 5.226 4.470 0.002 0.000 0.284 242 S C -0.073 174.527 174.600 0.000 0.000 1.171 242 S CA -0.806 57.339 58.200 -0.092 0.000 1.064 242 S CB 1.854 65.060 63.200 0.009 0.000 0.967 242 S HN 0.608 nan 8.310 nan 0.000 0.484 243 A N 3.095 125.907 122.820 -0.013 0.000 2.532 243 A HA 0.793 5.114 4.320 0.002 0.000 0.290 243 A C -1.028 176.576 177.584 0.032 0.000 1.143 243 A CA -1.150 50.913 52.037 0.042 0.000 0.728 243 A CB 0.975 20.000 19.000 0.041 0.000 1.317 243 A HN 0.825 nan 8.150 nan 0.000 0.414 244 L N 1.371 122.612 121.223 0.031 0.000 2.264 244 L HA 0.383 4.725 4.340 0.002 0.000 0.289 244 L C 1.595 178.467 176.870 0.004 0.000 1.044 244 L CA -0.396 54.454 54.840 0.016 0.000 0.807 244 L CB 1.256 43.314 42.059 -0.001 0.000 1.192 244 L HN 1.097 nan 8.230 nan 0.000 0.425 245 E N 4.499 124.707 120.200 0.012 0.000 2.028 245 E HA -0.156 4.196 4.350 0.002 0.000 0.191 245 E C 0.352 176.958 176.600 0.011 0.000 0.988 245 E CA 0.842 57.251 56.400 0.015 0.000 0.799 245 E CB 0.184 29.897 29.700 0.021 0.000 0.755 245 E HN 0.655 nan 8.360 nan 0.000 0.447 246 K N 0.732 121.137 120.400 0.007 0.000 2.292 246 K HA 0.441 4.762 4.320 0.002 0.000 0.270 246 K C -0.367 176.231 176.600 -0.002 0.000 1.062 246 K CA -0.041 56.250 56.287 0.006 0.000 0.916 246 K CB 1.196 33.700 32.500 0.007 0.000 1.166 246 K HN 0.281 nan 8.250 nan 0.000 0.458 247 G N 1.799 110.597 108.800 -0.003 0.000 3.153 247 G HA2 -0.061 3.900 3.960 0.002 0.000 0.686 247 G HA3 -0.061 3.900 3.960 0.002 0.000 0.686 247 G C -0.331 174.528 174.900 -0.068 0.000 0.995 247 G CA -0.332 44.757 45.100 -0.018 0.000 0.783 247 G HN 1.253 nan 8.290 nan 0.000 0.551 248 S N -0.668 114.970 115.700 -0.103 0.000 3.089 248 S HA -0.145 4.326 4.470 0.002 0.000 0.857 248 S C 0.272 174.735 174.600 -0.229 0.000 1.012 248 S CA 1.151 59.205 58.200 -0.244 0.000 1.286 248 S CB -0.081 62.883 63.200 -0.393 0.000 0.913 248 S HN 1.885 nan 8.310 nan 0.000 0.247 249 R N 4.044 124.406 120.500 -0.229 0.000 2.312 249 R HA 0.539 4.881 4.340 0.002 0.000 0.310 249 R C -0.923 175.382 176.300 0.009 0.000 1.064 249 R CA -0.238 55.813 56.100 -0.083 0.000 0.983 249 R CB 0.383 30.683 30.300 0.000 0.000 1.139 249 R HN 0.530 nan 8.270 nan 0.000 0.536 250 F N 5.676 125.643 119.950 0.029 0.000 2.318 250 F HA 0.343 4.871 4.527 0.002 0.000 0.356 250 F C 0.355 176.166 175.800 0.020 0.000 1.109 250 F CA -0.941 57.074 58.000 0.025 0.000 1.234 250 F CB 0.834 39.841 39.000 0.013 0.000 1.545 250 F HN 0.263 nan 8.300 nan 0.000 0.534 251 I N 3.135 123.832 120.570 0.211 0.000 2.352 251 I HA -0.018 4.153 4.170 0.002 0.000 0.303 251 I C 0.439 176.614 176.117 0.095 0.000 1.194 251 I CA 0.368 61.741 61.300 0.122 0.000 1.518 251 I CB -0.544 37.511 38.000 0.093 0.000 1.489 251 I HN 0.336 nan 8.210 nan 0.000 0.702 252 S N 3.375 119.119 115.700 0.072 0.000 2.448 252 S HA 0.444 4.915 4.470 0.002 0.000 0.320 252 S C 0.280 174.901 174.600 0.035 0.000 1.071 252 S CA -0.719 57.502 58.200 0.035 0.000 1.113 252 S CB 0.966 64.153 63.200 -0.022 0.000 0.972 252 S HN 0.558 nan 8.310 nan 0.000 0.465 253 T N 2.358 116.940 114.554 0.047 0.000 2.817 253 T HA 0.557 4.908 4.350 0.002 0.000 0.293 253 T C -0.280 174.454 174.700 0.057 0.000 0.964 253 T CA -0.793 61.338 62.100 0.052 0.000 1.085 253 T CB 0.842 69.747 68.868 0.061 0.000 0.921 253 T HN 0.625 nan 8.240 nan 0.000 0.502 254 L N 2.741 123.998 121.223 0.056 0.000 2.295 254 L HA 0.439 4.781 4.340 0.002 0.000 0.285 254 L C -0.312 176.613 176.870 0.092 0.000 1.035 254 L CA -0.243 54.638 54.840 0.068 0.000 0.806 254 L CB 1.425 43.503 42.059 0.032 0.000 1.214 254 L HN 0.723 nan 8.230 nan 0.000 0.426 255 Q N 3.819 123.681 119.800 0.104 0.000 2.333 255 Q HA 0.549 4.890 4.340 0.002 0.000 0.267 255 Q C -1.376 174.699 176.000 0.125 0.000 1.012 255 Q CA -0.861 55.010 55.803 0.112 0.000 0.824 255 Q CB 2.782 31.585 28.738 0.108 0.000 1.290 255 Q HN 0.445 nan 8.270 nan 0.000 0.449 256 V N 3.908 123.895 119.914 0.123 0.000 2.334 256 V HA 0.313 4.434 4.120 0.002 0.000 0.281 256 V C -0.592 175.582 176.094 0.132 0.000 1.016 256 V CA -0.596 61.782 62.300 0.131 0.000 0.832 256 V CB 0.950 32.845 31.823 0.119 0.000 0.999 256 V HN 0.644 nan 8.190 nan 0.000 0.439 257 K N 4.951 125.452 120.400 0.168 0.000 2.463 257 K HA 0.612 4.934 4.320 0.002 0.000 0.255 257 K C -0.984 175.766 176.600 0.250 0.000 0.942 257 K CA -0.961 55.432 56.287 0.178 0.000 0.814 257 K CB 2.491 35.078 32.500 0.145 0.000 1.122 257 K HN 0.443 nan 8.250 nan 0.000 0.425 258 L N 4.094 125.428 121.223 0.186 0.000 2.433 258 L HA 0.211 4.552 4.340 0.002 0.000 0.284 258 L C -1.142 175.854 176.870 0.211 0.000 1.120 258 L CA 0.035 54.991 54.840 0.193 0.000 0.879 258 L CB -0.675 41.455 42.059 0.118 0.000 1.232 258 L HN 0.456 nan 8.230 nan 0.000 0.454 259 Y N 3.825 124.159 120.300 0.057 0.000 2.326 259 Y HA 0.531 5.082 4.550 0.002 0.000 0.333 259 Y C 1.197 177.126 175.900 0.049 0.000 1.240 259 Y CA 0.304 58.435 58.100 0.053 0.000 1.365 259 Y CB 0.952 39.440 38.460 0.046 0.000 1.289 259 Y HN 0.871 nan 8.280 nan 0.000 0.548 260 G N 2.998 111.899 108.800 0.169 0.000 3.137 260 G HA2 -0.190 3.771 3.960 0.002 0.000 0.686 260 G HA3 -0.190 3.771 3.960 0.002 0.000 0.686 260 G C -0.347 174.602 174.900 0.082 0.000 0.988 260 G CA -0.922 44.246 45.100 0.115 0.000 0.789 260 G HN 0.619 nan 8.290 nan 0.000 0.544 261 R N 0.854 121.389 120.500 0.059 0.000 2.747 261 R HA 0.262 4.603 4.340 0.002 0.000 0.278 261 R C 0.605 176.939 176.300 0.057 0.000 1.153 261 R CA -0.594 55.539 56.100 0.055 0.000 1.206 261 R CB 0.406 30.728 30.300 0.036 0.000 1.161 261 R HN 0.611 nan 8.270 nan 0.000 0.589 262 E N 0.548 120.783 120.200 0.059 0.000 2.217 262 E HA 0.088 4.439 4.350 0.002 0.000 0.279 262 E C 0.566 177.188 176.600 0.037 0.000 1.068 262 E CA 0.871 57.299 56.400 0.048 0.000 0.882 262 E CB 0.894 30.627 29.700 0.054 0.000 1.039 262 E HN 0.779 nan 8.360 nan 0.000 0.418 263 G N 3.642 112.461 108.800 0.033 0.000 2.424 263 G HA2 -0.252 3.709 3.960 0.002 0.000 0.207 263 G HA3 -0.252 3.709 3.960 0.002 0.000 0.207 263 G C 0.478 175.396 174.900 0.031 0.000 1.061 263 G CA 0.158 45.276 45.100 0.029 0.000 0.657 263 G HN 0.616 nan 8.290 nan 0.000 0.508 264 S N 1.588 117.309 115.700 0.035 0.000 2.549 264 S HA 0.568 5.039 4.470 0.002 0.000 0.283 264 S C 1.069 175.693 174.600 0.041 0.000 1.320 264 S CA 0.823 59.046 58.200 0.039 0.000 1.058 264 S CB 0.524 63.751 63.200 0.046 0.000 0.882 264 S HN 1.542 nan 8.310 nan 0.000 0.498 265 S N 3.934 119.657 115.700 0.038 0.000 2.694 265 S HA 0.723 5.194 4.470 0.002 0.000 0.278 265 S C 0.617 175.243 174.600 0.043 0.000 1.152 265 S CA -0.346 57.876 58.200 0.037 0.000 1.010 265 S CB 0.327 63.545 63.200 0.029 0.000 1.104 265 S HN 2.084 nan 8.310 nan 0.000 0.547 266 A N 0.070 122.913 122.820 0.038 0.000 2.610 266 A HA -0.158 4.164 4.320 0.002 0.000 0.299 266 A C 0.379 177.998 177.584 0.058 0.000 1.487 266 A CA 0.446 52.507 52.037 0.040 0.000 0.743 266 A CB -1.977 17.045 19.000 0.037 0.000 1.070 266 A HN 0.623 nan 8.150 nan 0.000 0.439 267 R N 0.987 121.521 120.500 0.056 0.000 2.893 267 R HA 0.148 4.490 4.340 0.002 0.000 0.243 267 R C 0.951 177.291 176.300 0.067 0.000 1.481 267 R CA 0.735 56.879 56.100 0.072 0.000 1.250 267 R CB -0.106 30.227 30.300 0.055 0.000 1.213 267 R HN 0.767 nan 8.270 nan 0.000 0.609 268 T N 1.117 115.717 114.554 0.076 0.000 2.856 268 T HA 0.254 4.605 4.350 0.002 0.000 0.306 268 T C 0.473 175.221 174.700 0.079 0.000 1.062 268 T CA -0.213 61.912 62.100 0.043 0.000 1.083 268 T CB 0.540 69.391 68.868 -0.029 0.000 0.984 268 T HN 0.369 nan 8.240 nan 0.000 0.542 269 I N 3.570 124.174 120.570 0.056 0.000 2.420 269 I HA 0.385 4.556 4.170 0.002 0.000 0.282 269 I C 0.306 176.462 176.117 0.064 0.000 1.019 269 I CA -0.756 60.599 61.300 0.093 0.000 1.130 269 I CB 1.432 39.483 38.000 0.084 0.000 1.262 269 I HN 0.630 nan 8.210 nan 0.000 0.454 270 K N 4.238 124.681 120.400 0.072 0.000 2.211 270 K HA 0.910 5.231 4.320 0.002 0.000 0.237 270 K C -0.618 176.044 176.600 0.103 0.000 1.002 270 K CA -0.742 55.557 56.287 0.020 0.000 0.885 270 K CB 2.216 34.635 32.500 -0.135 0.000 1.136 270 K HN 0.587 nan 8.250 nan 0.000 0.448 271 A N 0.455 123.320 122.820 0.074 0.000 2.469 271 A HA 0.557 4.878 4.320 0.002 0.000 0.299 271 A C -1.045 176.591 177.584 0.086 0.000 1.098 271 A CA -0.704 51.398 52.037 0.107 0.000 0.737 271 A CB 1.550 20.627 19.000 0.128 0.000 1.312 271 A HN 0.547 nan 8.150 nan 0.000 0.414 272 T N 1.846 116.465 114.554 0.107 0.000 2.744 272 T HA 0.552 4.903 4.350 0.002 0.000 0.291 272 T C -0.453 174.308 174.700 0.102 0.000 0.957 272 T CA 0.114 62.269 62.100 0.092 0.000 1.002 272 T CB 0.151 69.077 68.868 0.097 0.000 0.919 272 T HN 0.407 nan 8.240 nan 0.000 0.468 273 L N 5.918 127.188 121.223 0.078 0.000 2.329 273 L HA 0.461 4.802 4.340 0.002 0.000 0.279 273 L C -1.968 174.949 176.870 0.078 0.000 1.014 273 L CA -2.497 52.398 54.840 0.092 0.000 0.814 273 L CB 1.862 43.953 42.059 0.053 0.000 1.257 273 L HN 0.377 nan 8.230 nan 0.000 0.424 274 P HA -0.075 nan 4.420 nan 0.000 0.266 274 P C -0.395 177.026 177.300 0.201 0.000 1.193 274 P CA 0.321 63.481 63.100 0.100 0.000 0.770 274 P CB 0.398 32.099 31.700 0.000 0.000 0.836 275 Y N -2.042 118.257 120.300 -0.002 0.000 4.155 275 Y HA -0.233 4.318 4.550 0.002 0.000 0.345 275 Y C 1.054 176.971 175.900 0.029 0.000 1.140 275 Y CA 0.433 58.547 58.100 0.022 0.000 2.047 275 Y CB -1.681 36.781 38.460 0.003 0.000 0.946 275 Y HN 0.321 nan 8.280 nan 0.000 0.456 276 I N 2.544 123.198 120.570 0.140 0.000 2.371 276 I HA 0.029 4.200 4.170 0.002 0.000 0.290 276 I C 1.127 177.276 176.117 0.053 0.000 1.028 276 I CA 0.012 61.348 61.300 0.060 0.000 1.345 276 I CB 1.419 39.414 38.000 -0.007 0.000 1.407 276 I HN 0.202 nan 8.210 nan 0.000 0.501 277 K N 5.028 125.460 120.400 0.054 0.000 2.574 277 K HA -0.066 4.255 4.320 0.002 0.000 0.193 277 K C 0.461 177.081 176.600 0.035 0.000 1.035 277 K CA 0.481 56.798 56.287 0.049 0.000 0.982 277 K CB 0.106 32.643 32.500 0.061 0.000 0.795 277 K HN 0.576 nan 8.250 nan 0.000 0.491 278 Q N -0.842 118.965 119.800 0.013 0.000 2.653 278 Q HA 0.175 4.516 4.340 0.002 0.000 0.373 278 Q C -1.672 174.321 176.000 -0.012 0.000 0.661 278 Q CA -0.827 54.978 55.803 0.003 0.000 0.932 278 Q CB 1.568 30.295 28.738 -0.019 0.000 1.119 278 Q HN -0.015 nan 8.270 nan 0.000 0.489 279 D N 1.365 121.745 120.400 -0.034 0.000 2.629 279 D HA 0.405 5.046 4.640 0.002 0.000 0.250 279 D C -0.892 175.329 176.300 -0.131 0.000 1.126 279 D CA -0.276 53.700 54.000 -0.039 0.000 0.852 279 D CB 1.577 42.401 40.800 0.040 0.000 1.335 279 D HN 0.336 nan 8.370 nan 0.000 0.518 280 I N 2.120 122.600 120.570 -0.150 0.000 2.336 280 I HA 0.296 4.467 4.170 0.002 0.000 0.292 280 I C -2.287 173.764 176.117 -0.111 0.000 0.991 280 I CA -2.781 58.377 61.300 -0.236 0.000 1.227 280 I CB 0.774 38.603 38.000 -0.285 0.000 1.366 280 I HN -0.117 nan 8.210 nan 0.000 0.466 281 P HA 0.056 nan 4.420 nan 0.000 0.264 281 P C 1.414 178.735 177.300 0.035 0.000 1.179 281 P CA 0.177 63.273 63.100 -0.006 0.000 0.763 281 P CB 0.597 32.318 31.700 0.034 0.000 0.806 282 I N 1.935 122.554 120.570 0.081 0.000 2.493 282 I HA -0.167 4.004 4.170 0.002 0.000 0.254 282 I C 1.595 177.854 176.117 0.238 0.000 1.160 282 I CA 1.192 62.591 61.300 0.165 0.000 1.445 282 I CB -0.907 37.235 38.000 0.236 0.000 1.086 282 I HN 0.115 nan 8.210 nan 0.000 0.433 283 V N -0.395 119.605 119.914 0.144 0.000 2.913 283 V HA -0.118 4.003 4.120 0.002 0.000 0.260 283 V C 2.359 178.523 176.094 0.116 0.000 1.098 283 V CA 1.019 63.390 62.300 0.118 0.000 1.121 283 V CB -0.856 30.982 31.823 0.026 0.000 0.714 283 V HN 0.380 nan 8.190 nan 0.000 0.487 284 I N 0.450 121.074 120.570 0.091 0.000 2.233 284 I HA -0.081 4.090 4.170 0.002 0.000 0.243 284 I C 2.692 178.818 176.117 0.015 0.000 1.093 284 I CA 1.213 62.551 61.300 0.063 0.000 1.380 284 I CB -1.095 36.948 38.000 0.073 0.000 1.067 284 I HN 0.238 nan 8.210 nan 0.000 0.413 285 I N 0.985 121.544 120.570 -0.019 0.000 2.145 285 I HA -0.330 3.841 4.170 0.002 0.000 0.244 285 I C 2.701 178.733 176.117 -0.142 0.000 1.075 285 I CA 1.958 63.175 61.300 -0.138 0.000 1.332 285 I CB -1.580 36.326 38.000 -0.157 0.000 1.033 285 I HN 0.099 nan 8.210 nan 0.000 0.410 286 F N 0.976 120.865 119.950 -0.102 0.000 2.234 286 F HA -0.125 4.404 4.527 0.002 0.000 0.299 286 F C 2.691 178.416 175.800 -0.124 0.000 1.087 286 F CA 1.093 59.025 58.000 -0.113 0.000 1.340 286 F CB -0.196 38.742 39.000 -0.104 0.000 1.031 286 F HN 0.008 nan 8.300 nan 0.000 0.500 287 R N 0.088 120.641 120.500 0.088 0.000 2.056 287 R HA -0.019 4.322 4.340 0.002 0.000 0.227 287 R C 2.474 178.758 176.300 -0.026 0.000 1.149 287 R CA 1.172 57.282 56.100 0.016 0.000 0.937 287 R CB -1.446 28.858 30.300 0.006 0.000 0.835 287 R HN 0.240 nan 8.270 nan 0.000 0.430 288 A N 1.635 124.429 122.820 -0.044 0.000 2.067 288 A HA -0.212 4.110 4.320 0.002 0.000 0.224 288 A C 2.273 179.791 177.584 -0.109 0.000 1.172 288 A CA 1.532 53.521 52.037 -0.079 0.000 0.662 288 A CB -0.676 18.253 19.000 -0.117 0.000 0.814 288 A HN 0.205 nan 8.150 nan 0.000 0.468 289 L N -2.927 118.218 121.223 -0.130 0.000 2.004 289 L HA 0.178 4.519 4.340 0.002 0.000 0.205 289 L C 2.410 179.241 176.870 -0.066 0.000 1.089 289 L CA 1.425 56.188 54.840 -0.128 0.000 0.756 289 L CB -0.340 41.610 42.059 -0.181 0.000 0.900 289 L HN 0.518 nan 8.230 nan 0.000 0.440 290 G N -1.625 107.144 108.800 -0.052 0.000 3.159 290 G HA2 0.120 4.082 3.960 0.002 0.000 0.185 290 G HA3 0.120 4.082 3.960 0.002 0.000 0.185 290 G C -0.072 174.804 174.900 -0.039 0.000 1.523 290 G CA -0.376 44.702 45.100 -0.036 0.000 0.752 290 G HN 0.036 nan 8.290 nan 0.000 0.964 291 I N 3.365 123.907 120.570 -0.047 0.000 2.517 291 I HA 0.203 4.374 4.170 0.002 0.000 0.285 291 I C 1.162 177.249 176.117 -0.049 0.000 1.106 291 I CA 0.106 61.361 61.300 -0.076 0.000 1.402 291 I CB 0.888 38.796 38.000 -0.154 0.000 1.399 291 I HN 0.060 nan 8.210 nan 0.000 0.535 292 I N 6.351 126.881 120.570 -0.066 0.000 3.136 292 I HA 0.166 4.337 4.170 0.002 0.000 0.262 292 I C -1.678 174.390 176.117 -0.081 0.000 1.132 292 I CA 0.241 61.503 61.300 -0.063 0.000 1.450 292 I CB -1.664 36.302 38.000 -0.056 0.000 1.315 292 I HN 0.343 nan 8.210 nan 0.000 0.460 293 P HA 0.081 nan 4.420 nan 0.000 0.276 293 P C -0.140 177.102 177.300 -0.097 0.000 1.235 293 P CA 0.238 63.290 63.100 -0.080 0.000 0.772 293 P CB 1.108 32.770 31.700 -0.064 0.000 0.871 294 D N 3.632 123.982 120.400 -0.084 0.000 2.126 294 D HA -0.176 4.465 4.640 0.002 0.000 0.190 294 D C 2.258 178.498 176.300 -0.101 0.000 1.001 294 D CA 2.245 56.192 54.000 -0.087 0.000 0.841 294 D CB -1.044 39.732 40.800 -0.040 0.000 0.949 294 D HN 0.608 nan 8.370 nan 0.000 0.446 295 G N 0.202 108.958 108.800 -0.073 0.000 2.470 295 G HA2 -0.260 3.701 3.960 0.002 0.000 0.220 295 G HA3 -0.260 3.701 3.960 0.002 0.000 0.220 295 G C 1.497 176.355 174.900 -0.071 0.000 1.121 295 G CA 0.502 45.562 45.100 -0.066 0.000 0.766 295 G HN 0.296 nan 8.290 nan 0.000 0.553 296 E N -0.359 119.789 120.200 -0.086 0.000 2.170 296 E HA 0.064 4.415 4.350 0.002 0.000 0.191 296 E C 2.490 179.000 176.600 -0.150 0.000 0.981 296 E CA -0.041 56.318 56.400 -0.068 0.000 0.830 296 E CB -0.007 29.640 29.700 -0.088 0.000 0.775 296 E HN 0.469 nan 8.360 nan 0.000 0.470 297 I N 1.236 121.635 120.570 -0.285 0.000 2.142 297 I HA -0.307 3.864 4.170 0.002 0.000 0.240 297 I C 2.321 178.187 176.117 -0.419 0.000 1.078 297 I CA 1.123 62.085 61.300 -0.564 0.000 1.343 297 I CB -0.284 37.347 38.000 -0.615 0.000 1.046 297 I HN 0.145 nan 8.210 nan 0.000 0.405 298 L N -0.043 121.042 121.223 -0.231 0.000 2.083 298 L HA -0.179 4.162 4.340 0.002 0.000 0.209 298 L C 2.563 179.421 176.870 -0.020 0.000 1.083 298 L CA 1.087 55.849 54.840 -0.130 0.000 0.752 298 L CB -0.835 41.173 42.059 -0.085 0.000 0.899 298 L HN 0.279 nan 8.230 nan 0.000 0.433 299 E N 0.177 120.403 120.200 0.042 0.000 2.130 299 E HA -0.255 4.096 4.350 0.002 0.000 0.196 299 E C 1.958 178.747 176.600 0.316 0.000 0.998 299 E CA 1.609 58.109 56.400 0.168 0.000 0.806 299 E CB -0.125 29.682 29.700 0.179 0.000 0.738 299 E HN 0.589 nan 8.360 nan 0.000 0.459 300 H N -1.069 118.054 119.070 0.088 0.000 2.548 300 H HA 0.159 4.716 4.556 0.002 0.000 0.268 300 H C 1.629 177.176 175.328 0.365 0.000 0.975 300 H CA 0.513 56.706 56.048 0.242 0.000 1.195 300 H CB 0.318 30.097 29.762 0.029 0.000 1.397 300 H HN 0.140 nan 8.280 nan 0.000 0.572 301 I N -1.904 118.759 120.570 0.154 0.000 3.523 301 I HA -0.008 4.163 4.170 0.002 0.000 0.244 301 I C 0.458 176.339 176.117 -0.393 0.000 1.110 301 I CA 0.041 61.304 61.300 -0.061 0.000 1.517 301 I CB 0.427 38.387 38.000 -0.066 0.000 1.505 301 I HN 0.083 nan 8.210 nan 0.000 0.460 302 C N 1.937 121.103 119.300 -0.223 0.000 2.322 302 C HA 0.215 4.676 4.460 0.002 0.000 0.343 302 C C 1.144 176.080 174.990 -0.089 0.000 1.190 302 C CA -0.366 58.523 59.018 -0.215 0.000 1.704 302 C CB -1.512 26.173 27.740 -0.093 0.000 2.293 302 C HN 0.428 nan 8.230 nan 0.000 0.523 303 Y N 2.297 122.680 120.300 0.139 0.000 2.502 303 Y HA 0.173 4.724 4.550 0.002 0.000 0.295 303 Y C 0.932 176.909 175.900 0.128 0.000 1.193 303 Y CA -0.233 57.968 58.100 0.167 0.000 1.295 303 Y CB -0.026 38.572 38.460 0.231 0.000 1.059 303 Y HN 0.647 nan 8.280 nan 0.000 0.514 304 D N -0.980 119.526 120.400 0.177 0.000 2.863 304 D HA 0.206 4.847 4.640 0.002 0.000 0.245 304 D C 0.540 176.903 176.300 0.104 0.000 1.211 304 D CA -0.379 53.704 54.000 0.138 0.000 0.888 304 D CB 2.078 42.940 40.800 0.104 0.000 1.483 304 D HN -0.103 nan 8.370 nan 0.000 0.533 305 V N 3.376 123.360 119.914 0.116 0.000 2.515 305 V HA -0.109 4.012 4.120 0.002 0.000 0.250 305 V C 1.625 177.779 176.094 0.100 0.000 1.058 305 V CA 1.126 63.487 62.300 0.100 0.000 1.064 305 V CB -0.456 31.431 31.823 0.107 0.000 0.675 305 V HN 0.579 nan 8.190 nan 0.000 0.461 306 N N 0.012 118.776 118.700 0.106 0.000 2.398 306 N HA -0.025 4.716 4.740 0.002 0.000 0.188 306 N C 0.651 176.250 175.510 0.147 0.000 1.122 306 N CA 0.384 53.513 53.050 0.131 0.000 0.866 306 N CB -0.125 38.433 38.487 0.118 0.000 0.970 306 N HN 0.429 nan 8.380 nan 0.000 0.462 307 D N 1.733 122.179 120.400 0.077 0.000 2.608 307 D HA -0.035 4.606 4.640 0.002 0.000 0.224 307 D C 1.549 177.833 176.300 -0.026 0.000 1.123 307 D CA -0.570 53.418 54.000 -0.020 0.000 1.030 307 D CB -0.282 40.485 40.800 -0.056 0.000 1.093 307 D HN 0.285 nan 8.370 nan 0.000 0.497 308 W N 2.184 123.484 121.300 0.000 0.000 2.342 308 W HA -0.234 4.427 4.660 0.002 0.000 0.297 308 W C 0.976 177.489 176.519 -0.010 0.000 1.213 308 W CA 0.467 57.810 57.345 -0.004 0.000 1.251 308 W CB -0.704 28.755 29.460 -0.001 0.000 1.136 308 W HN 0.263 nan 8.180 nan 0.000 0.526 309 Q N 0.743 120.013 119.800 -0.883 0.000 2.096 309 Q HA -0.246 4.095 4.340 0.002 0.000 0.204 309 Q C 2.386 178.201 176.000 -0.308 0.000 0.982 309 Q CA 2.408 57.730 55.803 -0.802 0.000 0.850 309 Q CB -0.522 27.636 28.738 -0.965 0.000 0.901 309 Q HN 0.426 nan 8.270 nan 0.000 0.422 310 M N 0.614 120.066 119.600 -0.247 0.000 2.123 310 M HA -0.126 4.355 4.480 0.002 0.000 0.263 310 M C 1.915 178.166 176.300 -0.082 0.000 1.069 310 M CA 1.296 56.505 55.300 -0.152 0.000 1.133 310 M CB 0.018 32.533 32.600 -0.142 0.000 1.356 310 M HN 0.127 nan 8.290 nan 0.000 0.415 311 L N 0.046 121.245 121.223 -0.041 0.000 1.971 311 L HA -0.263 4.078 4.340 0.002 0.000 0.215 311 L C 2.509 179.394 176.870 0.026 0.000 1.072 311 L CA 1.854 56.698 54.840 0.006 0.000 0.758 311 L CB -0.982 41.110 42.059 0.055 0.000 0.889 311 L HN 0.355 nan 8.230 nan 0.000 0.433 312 E N 0.173 120.417 120.200 0.073 0.000 2.169 312 E HA -0.289 4.062 4.350 0.002 0.000 0.202 312 E C 2.152 178.775 176.600 0.037 0.000 1.016 312 E CA 1.832 58.288 56.400 0.093 0.000 0.817 312 E CB -0.167 29.642 29.700 0.182 0.000 0.736 312 E HN 0.345 nan 8.360 nan 0.000 0.462 313 M N -0.844 118.753 119.600 -0.005 0.000 2.394 313 M HA -0.068 4.413 4.480 0.002 0.000 0.264 313 M C 1.546 177.840 176.300 -0.009 0.000 1.073 313 M CA 0.854 56.144 55.300 -0.017 0.000 1.111 313 M CB 0.039 32.608 32.600 -0.052 0.000 1.401 313 M HN 0.153 nan 8.290 nan 0.000 0.448 314 L N -0.879 120.337 121.223 -0.012 0.000 2.592 314 L HA -0.004 4.337 4.340 0.002 0.000 0.227 314 L C 2.154 179.023 176.870 -0.002 0.000 1.127 314 L CA 0.043 54.874 54.840 -0.014 0.000 0.884 314 L CB -0.188 41.849 42.059 -0.035 0.000 1.065 314 L HN 0.185 nan 8.230 nan 0.000 0.457 315 K N 0.955 121.362 120.400 0.011 0.000 2.032 315 K HA -0.138 4.183 4.320 0.002 0.000 0.209 315 K C -0.571 176.039 176.600 0.017 0.000 1.048 315 K CA 1.454 57.751 56.287 0.017 0.000 0.927 315 K CB -0.776 31.738 32.500 0.024 0.000 0.712 315 K HN 0.249 nan 8.250 nan 0.000 0.441 316 P HA -0.085 nan 4.420 nan 0.000 0.226 316 P C 0.899 178.213 177.300 0.023 0.000 1.153 316 P CA 1.051 64.162 63.100 0.019 0.000 0.777 316 P CB -0.069 31.645 31.700 0.022 0.000 0.794 317 C N -0.850 118.462 119.300 0.020 0.000 2.475 317 C HA -0.018 4.443 4.460 0.002 0.000 0.279 317 C C 2.952 177.961 174.990 0.033 0.000 1.322 317 C CA 0.275 59.307 59.018 0.023 0.000 1.734 317 C CB -1.377 26.370 27.740 0.012 0.000 2.005 317 C HN 0.108 nan 8.230 nan 0.000 0.495 318 V N 1.294 121.226 119.914 0.031 0.000 2.295 318 V HA -0.220 3.901 4.120 0.002 0.000 0.246 318 V C 2.298 178.461 176.094 0.114 0.000 1.049 318 V CA 2.120 64.453 62.300 0.055 0.000 1.024 318 V CB -0.780 31.072 31.823 0.049 0.000 0.648 318 V HN 0.575 nan 8.190 nan 0.000 0.447 319 E N -0.206 120.045 120.200 0.086 0.000 2.209 319 E HA -0.258 4.093 4.350 0.002 0.000 0.196 319 E C 1.896 178.558 176.600 0.102 0.000 0.993 319 E CA 1.298 57.746 56.400 0.079 0.000 0.819 319 E CB -0.209 29.493 29.700 0.004 0.000 0.745 319 E HN 0.524 nan 8.360 nan 0.000 0.477 320 D N -0.178 120.269 120.400 0.080 0.000 2.178 320 D HA -0.064 4.577 4.640 0.002 0.000 0.202 320 D C 1.229 177.594 176.300 0.108 0.000 0.974 320 D CA 1.095 55.140 54.000 0.074 0.000 0.841 320 D CB -0.033 40.796 40.800 0.047 0.000 0.953 320 D HN 0.202 nan 8.370 nan 0.000 0.478 321 G N -1.221 107.650 108.800 0.117 0.000 4.433 321 G HA2 0.072 4.033 3.960 0.002 0.000 0.304 321 G HA3 0.072 4.033 3.960 0.002 0.000 0.304 321 G C 0.326 175.293 174.900 0.111 0.000 1.254 321 G CA -0.454 44.713 45.100 0.112 0.000 0.999 321 G HN 0.150 nan 8.290 nan 0.000 0.576 322 F N 0.556 120.511 119.950 0.008 0.000 2.569 322 F HA 0.062 4.590 4.527 0.002 0.000 0.295 322 F C 2.097 177.892 175.800 -0.008 0.000 1.115 322 F CA 0.729 58.727 58.000 -0.003 0.000 1.450 322 F CB 0.650 39.646 39.000 -0.007 0.000 1.107 322 F HN 0.066 nan 8.300 nan 0.000 0.563 323 V N 0.276 120.277 119.914 0.145 0.000 2.970 323 V HA -0.065 4.056 4.120 0.002 0.000 0.260 323 V C 0.815 176.888 176.094 -0.035 0.000 1.100 323 V CA 0.872 63.210 62.300 0.062 0.000 1.122 323 V CB -0.810 31.033 31.823 0.034 0.000 0.721 323 V HN 0.093 nan 8.190 nan 0.000 0.483 324 I N 0.002 120.545 120.570 -0.046 0.000 2.433 324 I HA 0.397 4.568 4.170 0.002 0.000 0.292 324 I C 0.375 176.430 176.117 -0.104 0.000 1.001 324 I CA -0.068 61.201 61.300 -0.051 0.000 1.119 324 I CB 2.103 40.115 38.000 0.019 0.000 1.289 324 I HN -0.051 nan 8.210 nan 0.000 0.438 325 Q N 4.490 124.224 119.800 -0.109 0.000 2.086 325 Q HA 0.207 4.548 4.340 0.002 0.000 0.220 325 Q C -1.513 174.433 176.000 -0.089 0.000 0.792 325 Q CA -0.167 55.554 55.803 -0.137 0.000 1.062 325 Q CB 0.581 29.197 28.738 -0.204 0.000 1.198 325 Q HN 0.710 nan 8.270 nan 0.000 0.466 326 D N -2.518 117.847 120.400 -0.058 0.000 2.663 326 D HA 0.160 4.801 4.640 0.002 0.000 0.233 326 D C 0.101 176.385 176.300 -0.027 0.000 1.240 326 D CA -0.616 53.359 54.000 -0.043 0.000 0.774 326 D CB 0.684 41.459 40.800 -0.040 0.000 1.443 326 D HN -0.096 nan 8.370 nan 0.000 0.441 327 R N 0.478 120.963 120.500 -0.025 0.000 2.134 327 R HA -0.207 4.134 4.340 0.002 0.000 0.248 327 R C 1.583 177.876 176.300 -0.012 0.000 1.143 327 R CA 2.056 58.143 56.100 -0.021 0.000 0.957 327 R CB -0.104 30.183 30.300 -0.022 0.000 0.867 327 R HN 0.609 nan 8.270 nan 0.000 0.441 328 E N -0.964 119.230 120.200 -0.010 0.000 2.208 328 E HA -0.113 4.238 4.350 0.002 0.000 0.193 328 E C 1.799 178.403 176.600 0.006 0.000 0.988 328 E CA 1.560 57.959 56.400 -0.002 0.000 0.828 328 E CB 0.166 29.864 29.700 -0.004 0.000 0.763 328 E HN 0.514 nan 8.360 nan 0.000 0.478 329 T N -2.378 112.178 114.554 0.003 0.000 3.044 329 T HA 0.234 4.585 4.350 0.002 0.000 0.255 329 T C 1.974 176.700 174.700 0.043 0.000 1.073 329 T CA 0.433 62.539 62.100 0.011 0.000 1.125 329 T CB 0.266 69.127 68.868 -0.011 0.000 0.908 329 T HN 0.085 nan 8.240 nan 0.000 0.480 330 A N 2.136 124.979 122.820 0.039 0.000 1.855 330 A HA 0.206 4.527 4.320 0.002 0.000 0.215 330 A C 2.321 179.945 177.584 0.066 0.000 1.191 330 A CA 1.198 53.274 52.037 0.065 0.000 0.613 330 A CB -1.087 17.927 19.000 0.023 0.000 0.829 330 A HN 0.476 nan 8.150 nan 0.000 0.442 331 L N -0.334 120.902 121.223 0.022 0.000 2.187 331 L HA -0.215 4.126 4.340 0.002 0.000 0.213 331 L C 2.255 179.156 176.870 0.051 0.000 1.100 331 L CA 1.594 56.440 54.840 0.009 0.000 0.765 331 L CB -0.419 41.637 42.059 -0.006 0.000 0.904 331 L HN 0.490 nan 8.230 nan 0.000 0.437 332 D N -0.529 119.917 120.400 0.076 0.000 2.162 332 D HA -0.223 4.418 4.640 0.002 0.000 0.203 332 D C 2.006 178.412 176.300 0.175 0.000 0.967 332 D CA 0.679 54.736 54.000 0.095 0.000 0.840 332 D CB 0.020 40.855 40.800 0.058 0.000 0.972 332 D HN 0.151 nan 8.370 nan 0.000 0.482 333 F N 1.726 121.675 119.950 -0.003 0.000 2.091 333 F HA -0.006 4.522 4.527 0.002 0.000 0.299 333 F C 0.593 176.398 175.800 0.008 0.000 1.103 333 F CA 0.609 58.610 58.000 0.002 0.000 1.228 333 F CB -0.765 38.231 39.000 -0.006 0.000 0.984 333 F HN -0.111 nan 8.300 nan 0.000 0.477 334 I N 1.550 122.219 120.570 0.165 0.000 2.680 334 I HA 0.278 4.449 4.170 0.002 0.000 0.286 334 I C 0.847 177.021 176.117 0.094 0.000 1.144 334 I CA 0.712 62.021 61.300 0.014 0.000 1.370 334 I CB -1.079 36.875 38.000 -0.076 0.000 1.420 334 I HN 0.394 nan 8.210 nan 0.000 0.540 346 E N 0.694 120.915 120.200 0.034 0.000 5.289 346 E HA -0.408 3.944 4.350 0.002 0.000 0.167 346 E C 0.323 176.948 176.600 0.043 0.000 1.276 346 E CA 2.691 59.111 56.400 0.034 0.000 2.067 346 E CB -1.014 28.700 29.700 0.022 0.000 1.871 346 E HN 0.581 nan 8.360 nan 0.000 0.359 347 K N 1.072 121.496 120.400 0.041 0.000 2.365 347 K HA -0.008 4.313 4.320 0.002 0.000 0.199 347 K C 2.159 178.809 176.600 0.083 0.000 1.045 347 K CA 1.033 57.348 56.287 0.047 0.000 0.962 347 K CB -0.080 32.435 32.500 0.025 0.000 0.759 347 K HN 0.537 nan 8.250 nan 0.000 0.469 348 R N -0.187 120.369 120.500 0.094 0.000 2.235 348 R HA -0.033 4.308 4.340 0.002 0.000 0.213 348 R C 1.666 178.061 176.300 0.159 0.000 1.059 348 R CA 0.753 56.950 56.100 0.162 0.000 0.997 348 R CB -0.409 29.976 30.300 0.142 0.000 0.884 348 R HN 0.093 nan 8.270 nan 0.000 0.462 349 I N 1.698 122.329 120.570 0.101 0.000 2.286 349 I HA -0.208 3.963 4.170 0.002 0.000 0.245 349 I C 2.717 178.878 176.117 0.075 0.000 1.104 349 I CA 1.263 62.607 61.300 0.072 0.000 1.397 349 I CB -0.307 37.721 38.000 0.047 0.000 1.072 349 I HN 0.117 nan 8.210 nan 0.000 0.417 350 Q N 0.133 119.988 119.800 0.093 0.000 2.020 350 Q HA -0.285 4.056 4.340 0.002 0.000 0.202 350 Q C 2.248 178.335 176.000 0.145 0.000 0.982 350 Q CA 1.906 57.766 55.803 0.096 0.000 0.838 350 Q CB -0.785 28.005 28.738 0.087 0.000 0.899 350 Q HN 0.515 nan 8.270 nan 0.000 0.423 351 Y N 0.332 120.650 120.300 0.031 0.000 2.139 351 Y HA -0.300 4.251 4.550 0.002 0.000 0.282 351 Y C 2.043 177.964 175.900 0.036 0.000 1.179 351 Y CA 2.011 60.137 58.100 0.043 0.000 1.161 351 Y CB -0.972 37.519 38.460 0.051 0.000 0.970 351 Y HN 0.212 nan 8.280 nan 0.000 0.511 352 A N -0.203 122.591 122.820 -0.043 0.000 1.897 352 A HA -0.161 4.160 4.320 0.002 0.000 0.215 352 A C 2.351 179.868 177.584 -0.112 0.000 1.181 352 A CA 1.593 53.537 52.037 -0.156 0.000 0.620 352 A CB -0.697 18.255 19.000 -0.081 0.000 0.821 352 A HN 0.470 nan 8.150 nan 0.000 0.443 353 K N -0.436 119.939 120.400 -0.042 0.000 2.209 353 K HA -0.177 4.144 4.320 0.002 0.000 0.204 353 K C 0.962 177.546 176.600 -0.026 0.000 1.048 353 K CA 1.556 57.825 56.287 -0.031 0.000 0.940 353 K CB -0.113 32.387 32.500 0.000 0.000 0.729 353 K HN 0.459 nan 8.250 nan 0.000 0.451 354 D N 0.675 121.065 120.400 -0.017 0.000 2.110 354 D HA -0.100 4.542 4.640 0.002 0.000 0.202 354 D C 1.974 178.237 176.300 -0.063 0.000 0.975 354 D CA 0.921 54.914 54.000 -0.010 0.000 0.839 354 D CB -0.223 40.602 40.800 0.041 0.000 0.996 354 D HN 0.208 nan 8.370 nan 0.000 0.464 355 I N 1.235 121.722 120.570 -0.138 0.000 2.185 355 I HA -0.266 3.905 4.170 0.002 0.000 0.246 355 I C 2.392 178.455 176.117 -0.090 0.000 1.088 355 I CA 0.866 62.056 61.300 -0.182 0.000 1.347 355 I CB -0.180 37.650 38.000 -0.284 0.000 1.041 355 I HN -0.003 nan 8.210 nan 0.000 0.415 356 L N -0.388 120.775 121.223 -0.101 0.000 2.275 356 L HA -0.208 4.133 4.340 0.002 0.000 0.215 356 L C 2.032 178.929 176.870 0.045 0.000 1.119 356 L CA 1.376 56.161 54.840 -0.092 0.000 0.790 356 L CB -0.354 41.581 42.059 -0.206 0.000 0.919 356 L HN 0.390 nan 8.230 nan 0.000 0.443 357 Q N -1.722 118.091 119.800 0.022 0.000 2.280 357 Q HA 0.051 4.392 4.340 0.002 0.000 0.228 357 Q C 1.791 177.811 176.000 0.034 0.000 0.857 357 Q CA 0.026 55.858 55.803 0.050 0.000 0.939 357 Q CB 0.761 29.528 28.738 0.048 0.000 1.114 357 Q HN 0.135 nan 8.270 nan 0.000 0.514 358 K N -0.093 120.306 120.400 -0.001 0.000 2.350 358 K HA 0.117 4.438 4.320 0.002 0.000 0.196 358 K C 1.024 177.580 176.600 -0.073 0.000 1.084 358 K CA 0.742 57.012 56.287 -0.028 0.000 0.967 358 K CB 0.898 33.362 32.500 -0.059 0.000 0.950 358 K HN 0.097 nan 8.250 nan 0.000 0.512 359 E N -0.475 119.669 120.200 -0.092 0.000 2.391 359 E HA 0.054 4.405 4.350 0.002 0.000 0.206 359 E C 0.024 176.613 176.600 -0.018 0.000 0.851 359 E CA -0.273 56.042 56.400 -0.141 0.000 1.059 359 E CB 0.153 29.672 29.700 -0.302 0.000 1.065 359 E HN 0.013 nan 8.360 nan 0.000 0.512 360 F N 3.374 123.263 119.950 -0.101 0.000 2.466 360 F HA 0.161 4.690 4.527 0.002 0.000 0.363 360 F C 0.169 175.950 175.800 -0.031 0.000 1.109 360 F CA -0.689 57.278 58.000 -0.056 0.000 1.161 360 F CB 0.194 39.155 39.000 -0.065 0.000 1.117 360 F HN -0.156 nan 8.300 nan 0.000 0.539 361 L N 7.805 128.737 121.223 -0.485 0.000 3.826 361 L HA -0.227 4.114 4.340 0.002 0.000 0.566 361 L C -1.852 174.910 176.870 -0.181 0.000 1.217 361 L CA 0.074 54.700 54.840 -0.357 0.000 0.823 361 L CB -1.483 40.210 42.059 -0.609 0.000 1.381 361 L HN 0.536 nan 8.230 nan 0.000 0.825 362 P HA -0.126 nan 4.420 nan 0.000 0.217 362 P C 0.803 178.089 177.300 -0.023 0.000 1.150 362 P CA 1.464 64.559 63.100 -0.008 0.000 0.832 362 P CB -0.044 31.699 31.700 0.072 0.000 0.787 363 H N -0.315 118.678 119.070 -0.127 0.000 2.767 363 H HA 0.050 4.607 4.556 0.002 0.000 0.380 363 H C 1.343 176.518 175.328 -0.255 0.000 1.409 363 H CA 0.113 56.063 56.048 -0.163 0.000 1.463 363 H CB 0.118 29.789 29.762 -0.153 0.000 1.514 363 H HN -0.127 nan 8.280 nan 0.000 0.619 364 I N -1.762 118.453 120.570 -0.591 0.000 4.841 364 I HA -0.343 3.828 4.170 0.002 0.000 0.039 364 I C 0.763 176.576 176.117 -0.507 0.000 0.634 364 I CA 1.909 62.827 61.300 -0.637 0.000 0.475 364 I CB -2.048 35.513 38.000 -0.733 0.000 0.486 364 I HN 0.882 nan 8.210 nan 0.000 0.152 365 T N -0.546 113.737 114.554 -0.452 0.000 2.749 365 T HA 0.537 4.888 4.350 0.002 0.000 0.310 365 T C -0.662 173.927 174.700 -0.185 0.000 1.496 365 T CA 0.095 61.963 62.100 -0.387 0.000 1.006 365 T CB 2.095 70.504 68.868 -0.764 0.000 1.457 365 T HN 0.431 nan 8.240 nan 0.000 0.497 366 Q N 1.151 120.901 119.800 -0.082 0.000 2.023 366 Q HA 0.424 4.765 4.340 0.002 0.000 0.211 366 Q C 0.138 176.165 176.000 0.045 0.000 0.787 366 Q CA -0.067 55.735 55.803 -0.001 0.000 1.035 366 Q CB 0.438 29.193 28.738 0.029 0.000 1.221 366 Q HN 0.579 nan 8.270 nan 0.000 0.443 367 L N -0.606 120.662 121.223 0.075 0.000 2.657 367 L HA 0.320 4.661 4.340 0.002 0.000 0.152 367 L C 1.502 178.454 176.870 0.136 0.000 1.773 367 L CA -0.046 54.870 54.840 0.127 0.000 3.024 367 L CB -0.027 42.155 42.059 0.204 0.000 3.023 367 L HN 0.124 nan 8.230 nan 0.000 0.780 368 E N -0.254 120.042 120.200 0.160 0.000 2.592 368 E HA 0.077 4.428 4.350 0.002 0.000 0.184 368 E C 0.939 177.622 176.600 0.139 0.000 1.056 368 E CA 0.257 56.726 56.400 0.116 0.000 1.151 368 E CB 0.295 30.037 29.700 0.069 0.000 1.435 368 E HN 0.553 nan 8.360 nan 0.000 0.496 369 G N 0.640 109.484 108.800 0.072 0.000 2.843 369 G HA2 0.240 4.201 3.960 0.002 0.000 0.275 369 G HA3 0.240 4.201 3.960 0.002 0.000 0.275 369 G C -0.372 174.371 174.900 -0.262 0.000 0.709 369 G CA 0.176 45.230 45.100 -0.076 0.000 2.089 369 G HN 0.142 nan 8.290 nan 0.000 0.571 370 F N -0.648 119.310 119.950 0.013 0.000 1.901 370 F HA 0.245 4.773 4.527 0.002 0.000 0.224 370 F C 1.658 177.475 175.800 0.027 0.000 1.236 370 F CA 0.293 58.303 58.000 0.017 0.000 1.304 370 F CB -0.001 39.004 39.000 0.008 0.000 1.866 370 F HN 0.355 nan 8.300 nan 0.000 0.262 371 E N 0.060 120.408 120.200 0.247 0.000 4.201 371 E HA -0.384 3.967 4.350 0.002 0.000 0.197 371 E C 1.555 178.245 176.600 0.150 0.000 1.283 371 E CA 2.064 58.543 56.400 0.132 0.000 2.240 371 E CB -1.764 27.971 29.700 0.058 0.000 1.878 371 E HN 0.204 nan 8.360 nan 0.000 0.315 372 S N -0.129 115.668 115.700 0.162 0.000 2.400 372 S HA -0.321 4.150 4.470 0.002 0.000 0.234 372 S C 1.721 176.522 174.600 0.335 0.000 1.049 372 S CA 2.144 60.479 58.200 0.225 0.000 1.039 372 S CB -0.138 63.199 63.200 0.228 0.000 0.856 372 S HN 0.324 nan 8.310 nan 0.000 0.465 373 R N 0.319 120.997 120.500 0.297 0.000 2.073 373 R HA 0.061 4.402 4.340 0.002 0.000 0.229 373 R C 2.538 178.964 176.300 0.210 0.000 1.120 373 R CA 1.191 57.424 56.100 0.221 0.000 0.967 373 R CB -0.256 30.131 30.300 0.145 0.000 0.862 373 R HN 0.435 nan 8.270 nan 0.000 0.436 374 K N 0.569 121.082 120.400 0.190 0.000 2.097 374 K HA -0.037 4.285 4.320 0.002 0.000 0.205 374 K C 2.146 178.923 176.600 0.295 0.000 1.050 374 K CA 1.210 57.647 56.287 0.251 0.000 0.938 374 K CB -0.085 32.614 32.500 0.333 0.000 0.718 374 K HN 0.109 nan 8.250 nan 0.000 0.442 375 A N 0.896 123.813 122.820 0.163 0.000 1.902 375 A HA -0.118 4.203 4.320 0.002 0.000 0.217 375 A C 1.927 179.641 177.584 0.217 0.000 1.181 375 A CA 1.169 53.205 52.037 -0.003 0.000 0.623 375 A CB -0.668 18.303 19.000 -0.048 0.000 0.818 375 A HN 0.204 nan 8.150 nan 0.000 0.443 376 F N -2.162 118.004 119.950 0.359 0.000 2.259 376 F HA -0.038 4.490 4.527 0.002 0.000 0.298 376 F C 1.958 178.100 175.800 0.571 0.000 1.088 376 F CA 1.169 59.392 58.000 0.372 0.000 1.358 376 F CB -0.188 38.762 39.000 -0.084 0.000 1.040 376 F HN 0.335 nan 8.300 nan 0.000 0.505 377 F N -0.165 120.107 119.950 0.537 0.000 2.163 377 F HA -0.138 4.390 4.527 0.002 0.000 0.297 377 F C 2.146 178.252 175.800 0.511 0.000 1.094 377 F CA 0.904 59.248 58.000 0.574 0.000 1.290 377 F CB -0.516 38.678 39.000 0.324 0.000 1.017 377 F HN -0.124 nan 8.300 nan 0.000 0.483 378 L N 0.731 122.229 121.223 0.458 0.000 2.013 378 L HA -0.104 4.237 4.340 0.002 0.000 0.212 378 L C 2.508 179.588 176.870 0.351 0.000 1.073 378 L CA 2.339 57.360 54.840 0.301 0.000 0.753 378 L CB -1.599 40.545 42.059 0.142 0.000 0.890 378 L HN 0.223 nan 8.230 nan 0.000 0.432 379 G N -1.781 107.343 108.800 0.539 0.000 2.505 379 G HA2 -0.420 3.541 3.960 0.002 0.000 0.220 379 G HA3 -0.420 3.541 3.960 0.002 0.000 0.220 379 G C 1.618 176.783 174.900 0.442 0.000 1.145 379 G CA 1.200 46.667 45.100 0.611 0.000 0.761 379 G HN 0.577 nan 8.290 nan 0.000 0.571 380 Y N 0.856 121.399 120.300 0.405 0.000 2.224 380 Y HA -0.047 4.504 4.550 0.002 0.000 0.289 380 Y C 2.911 178.792 175.900 -0.032 0.000 1.146 380 Y CA 1.721 59.947 58.100 0.210 0.000 1.182 380 Y CB -0.108 38.417 38.460 0.107 0.000 0.983 380 Y HN 0.134 nan 8.280 nan 0.000 0.524 381 M N -0.499 119.065 119.600 -0.060 0.000 2.067 381 M HA -0.250 4.231 4.480 0.002 0.000 0.260 381 M C 2.027 178.262 176.300 -0.107 0.000 1.069 381 M CA 1.555 56.778 55.300 -0.128 0.000 1.117 381 M CB -0.596 32.006 32.600 0.004 0.000 1.334 381 M HN 0.273 nan 8.290 nan 0.000 0.407 382 I N 0.674 121.249 120.570 0.009 0.000 2.118 382 I HA -0.338 3.833 4.170 0.002 0.000 0.241 382 I C 2.116 178.178 176.117 -0.092 0.000 1.070 382 I CA 1.962 63.267 61.300 0.008 0.000 1.327 382 I CB -1.848 36.211 38.000 0.098 0.000 1.034 382 I HN 0.463 nan 8.210 nan 0.000 0.405 383 N N 0.970 119.586 118.700 -0.140 0.000 2.036 383 N HA -0.227 4.514 4.740 0.002 0.000 0.195 383 N C 2.066 177.426 175.510 -0.249 0.000 1.037 383 N CA 1.555 54.470 53.050 -0.225 0.000 0.855 383 N CB -0.024 38.285 38.487 -0.297 0.000 1.033 383 N HN 0.150 nan 8.380 nan 0.000 0.423 384 R N 0.193 120.482 120.500 -0.351 0.000 2.096 384 R HA -0.126 4.215 4.340 0.002 0.000 0.235 384 R C 2.341 178.511 176.300 -0.216 0.000 1.127 384 R CA 1.120 57.014 56.100 -0.343 0.000 0.968 384 R CB -0.844 29.156 30.300 -0.499 0.000 0.861 384 R HN 0.439 nan 8.270 nan 0.000 0.440 385 L N 0.896 122.017 121.223 -0.169 0.000 1.994 385 L HA -0.150 4.191 4.340 0.002 0.000 0.208 385 L C 2.217 178.998 176.870 -0.149 0.000 1.071 385 L CA 1.430 56.202 54.840 -0.114 0.000 0.745 385 L CB -0.296 41.731 42.059 -0.053 0.000 0.892 385 L HN 0.103 nan 8.230 nan 0.000 0.431 386 L N -0.707 120.427 121.223 -0.148 0.000 2.046 386 L HA -0.225 4.116 4.340 0.002 0.000 0.208 386 L C 2.470 179.232 176.870 -0.180 0.000 1.077 386 L CA 0.707 55.449 54.840 -0.164 0.000 0.747 386 L CB -0.598 41.379 42.059 -0.137 0.000 0.896 386 L HN 0.320 nan 8.230 nan 0.000 0.432 387 L N -0.854 120.269 121.223 -0.166 0.000 2.447 387 L HA -0.239 4.102 4.340 0.002 0.000 0.225 387 L C 2.262 179.051 176.870 -0.134 0.000 1.148 387 L CA 1.324 56.076 54.840 -0.146 0.000 0.808 387 L CB -0.592 41.381 42.059 -0.143 0.000 0.928 387 L HN 0.388 nan 8.230 nan 0.000 0.448 388 C N -2.618 116.589 119.300 -0.155 0.000 2.464 388 C HA 0.324 4.785 4.460 0.002 0.000 0.348 388 C C 2.848 177.703 174.990 -0.225 0.000 1.367 388 C CA 0.314 59.259 59.018 -0.121 0.000 2.012 388 C CB -0.594 27.113 27.740 -0.054 0.000 2.434 388 C HN 0.532 nan 8.230 nan 0.000 0.536 389 A N 0.688 123.219 122.820 -0.482 0.000 1.930 389 A HA 0.029 4.350 4.320 0.002 0.000 0.217 389 A C 1.967 179.404 177.584 -0.245 0.000 1.175 389 A CA 1.331 53.009 52.037 -0.599 0.000 0.627 389 A CB -0.712 17.932 19.000 -0.594 0.000 0.815 389 A HN 0.647 nan 8.150 nan 0.000 0.443 390 L N -1.033 120.073 121.223 -0.194 0.000 2.633 390 L HA -0.080 4.261 4.340 0.002 0.000 0.235 390 L C 0.042 176.852 176.870 -0.101 0.000 1.163 390 L CA 0.648 55.402 54.840 -0.143 0.000 0.859 390 L CB -0.612 41.352 42.059 -0.158 0.000 0.973 390 L HN 0.397 nan 8.230 nan 0.000 0.451 391 D N -0.537 119.814 120.400 -0.081 0.000 2.716 391 D HA -0.225 4.416 4.640 0.002 0.000 0.239 391 D C 1.205 177.480 176.300 -0.041 0.000 1.125 391 D CA 0.536 54.515 54.000 -0.036 0.000 0.681 391 D CB -0.391 40.400 40.800 -0.015 0.000 1.070 391 D HN 0.277 nan 8.370 nan 0.000 0.432 392 R N -0.637 119.830 120.500 -0.054 0.000 2.517 392 R HA 0.225 4.566 4.340 0.002 0.000 0.265 392 R C -0.128 176.145 176.300 -0.044 0.000 0.921 392 R CA 0.025 56.093 56.100 -0.053 0.000 1.054 392 R CB 0.522 30.778 30.300 -0.074 0.000 1.340 392 R HN -0.057 nan 8.270 nan 0.000 0.551 393 K N 0.471 120.844 120.400 -0.046 0.000 2.527 393 K HA 0.260 4.582 4.320 0.002 0.000 0.260 393 K C -1.872 174.711 176.600 -0.028 0.000 0.937 393 K CA -0.657 55.606 56.287 -0.039 0.000 0.826 393 K CB 1.978 34.444 32.500 -0.056 0.000 1.359 393 K HN -0.049 nan 8.250 nan 0.000 0.434 394 D N 0.923 121.313 120.400 -0.017 0.000 2.358 394 D HA 0.104 4.745 4.640 0.002 0.000 0.244 394 D C -0.143 176.153 176.300 -0.007 0.000 1.163 394 D CA -0.372 53.629 54.000 0.002 0.000 0.945 394 D CB 0.536 41.344 40.800 0.014 0.000 1.152 394 D HN 0.347 nan 8.370 nan 0.000 0.451 395 Q N 0.332 120.144 119.800 0.020 0.000 2.524 395 Q HA -0.025 4.316 4.340 0.002 0.000 0.246 395 Q C -0.583 175.406 176.000 -0.019 0.000 1.063 395 Q CA -0.021 55.786 55.803 0.008 0.000 0.945 395 Q CB 0.574 29.359 28.738 0.077 0.000 1.292 395 Q HN 0.390 nan 8.270 nan 0.000 0.518 396 D N 1.834 122.158 120.400 -0.127 0.000 2.304 396 D HA 0.011 4.652 4.640 0.002 0.000 0.250 396 D C -0.864 175.517 176.300 0.135 0.000 1.107 396 D CA -0.074 53.864 54.000 -0.103 0.000 0.885 396 D CB 0.847 41.427 40.800 -0.367 0.000 1.192 396 D HN 0.473 nan 8.370 nan 0.000 0.436 397 D N 1.900 122.371 120.400 0.118 0.000 2.349 397 D HA -0.025 4.616 4.640 0.002 0.000 0.266 397 D C 1.026 177.417 176.300 0.152 0.000 1.293 397 D CA 0.033 54.120 54.000 0.146 0.000 0.926 397 D CB 0.404 41.304 40.800 0.166 0.000 1.090 397 D HN 0.318 nan 8.370 nan 0.000 0.502 398 R N 1.978 122.580 120.500 0.170 0.000 2.323 398 R HA 0.032 4.373 4.340 0.002 0.000 0.198 398 R C -0.118 176.199 176.300 0.028 0.000 0.988 398 R CA 0.313 56.500 56.100 0.144 0.000 1.041 398 R CB 0.499 30.811 30.300 0.020 0.000 0.926 398 R HN 0.174 nan 8.270 nan 0.000 0.476 399 D N 0.030 120.388 120.400 -0.070 0.000 2.623 399 D HA 0.025 4.666 4.640 0.002 0.000 0.252 399 D C -0.742 175.281 176.300 -0.462 0.000 1.294 399 D CA -0.055 53.813 54.000 -0.220 0.000 0.824 399 D CB 0.204 40.836 40.800 -0.280 0.000 1.070 399 D HN 0.166 nan 8.370 nan 0.000 0.487 400 H N 0.806 119.712 119.070 -0.272 0.000 2.705 400 H HA 0.035 4.592 4.556 0.002 0.000 0.291 400 H C 0.611 175.945 175.328 0.010 0.000 1.085 400 H CA -0.411 55.545 56.048 -0.153 0.000 1.357 400 H CB 0.347 30.093 29.762 -0.026 0.000 1.419 400 H HN -0.063 nan 8.280 nan 0.000 0.462 401 F N 3.912 123.799 119.950 -0.106 0.000 2.250 401 F HA -0.077 4.451 4.527 0.002 0.000 0.301 401 F C 2.256 178.112 175.800 0.094 0.000 1.077 401 F CA 1.619 59.610 58.000 -0.014 0.000 1.348 401 F CB -0.365 38.595 39.000 -0.067 0.000 1.040 401 F HN 0.731 nan 8.300 nan 0.000 0.509 402 G N -1.023 107.996 108.800 0.366 0.000 2.625 402 G HA2 -0.201 3.760 3.960 0.002 0.000 0.214 402 G HA3 -0.201 3.760 3.960 0.002 0.000 0.214 402 G C 1.466 176.301 174.900 -0.110 0.000 1.132 402 G CA 0.303 45.461 45.100 0.096 0.000 0.782 402 G HN 0.233 nan 8.290 nan 0.000 0.538 403 K N -0.058 120.319 120.400 -0.039 0.000 2.455 403 K HA 0.233 4.554 4.320 0.002 0.000 0.206 403 K C 0.311 176.854 176.600 -0.095 0.000 1.027 403 K CA 0.041 56.264 56.287 -0.106 0.000 1.113 403 K CB 0.607 33.075 32.500 -0.054 0.000 0.850 403 K HN 0.179 nan 8.250 nan 0.000 0.503 404 K N 0.529 120.834 120.400 -0.158 0.000 2.340 404 K HA 0.493 4.815 4.320 0.002 0.000 0.244 404 K C -0.459 175.987 176.600 -0.256 0.000 0.973 404 K CA -1.090 55.098 56.287 -0.164 0.000 0.828 404 K CB 2.077 34.505 32.500 -0.121 0.000 1.226 404 K HN -0.213 nan 8.250 nan 0.000 0.437 405 R N 1.425 121.821 120.500 -0.173 0.000 2.628 405 R HA 0.444 4.786 4.340 0.002 0.000 0.288 405 R C -0.673 175.558 176.300 -0.114 0.000 0.980 405 R CA -0.826 55.179 56.100 -0.159 0.000 0.891 405 R CB 1.323 31.564 30.300 -0.098 0.000 1.188 405 R HN 0.545 nan 8.270 nan 0.000 0.450 406 L N 2.387 123.545 121.223 -0.110 0.000 2.276 406 L HA 0.302 4.643 4.340 0.002 0.000 0.286 406 L C -0.054 176.787 176.870 -0.048 0.000 1.061 406 L CA -0.516 54.288 54.840 -0.060 0.000 0.807 406 L CB 0.909 42.941 42.059 -0.045 0.000 1.177 406 L HN 0.265 nan 8.230 nan 0.000 0.429 407 D N 3.858 124.230 120.400 -0.047 0.000 2.232 407 D HA 0.532 5.173 4.640 0.002 0.000 0.242 407 D C -0.130 176.131 176.300 -0.064 0.000 1.093 407 D CA -0.054 53.916 54.000 -0.049 0.000 0.845 407 D CB 1.978 42.746 40.800 -0.053 0.000 1.124 407 D HN 0.250 nan 8.370 nan 0.000 0.467 408 L N 1.061 122.257 121.223 -0.045 0.000 2.464 408 L HA 0.507 4.848 4.340 0.002 0.000 0.264 408 L C 1.879 178.728 176.870 -0.035 0.000 1.062 408 L CA -0.699 54.117 54.840 -0.041 0.000 0.935 408 L CB 0.500 42.553 42.059 -0.010 0.000 1.603 408 L HN 0.396 nan 8.230 nan 0.000 0.528 409 A N 0.239 123.069 122.820 0.018 0.000 1.881 409 A HA -0.219 4.102 4.320 0.002 0.000 0.219 409 A C 1.988 179.611 177.584 0.064 0.000 1.215 409 A CA 2.528 54.625 52.037 0.100 0.000 0.648 409 A CB -1.777 17.370 19.000 0.246 0.000 0.832 409 A HN 0.938 nan 8.150 nan 0.000 0.455 410 G N -0.116 108.731 108.800 0.078 0.000 2.628 410 G HA2 -0.209 3.752 3.960 0.002 0.000 0.217 410 G HA3 -0.209 3.752 3.960 0.002 0.000 0.217 410 G C -0.196 174.651 174.900 -0.087 0.000 1.240 410 G CA 1.427 46.519 45.100 -0.012 0.000 0.792 410 G HN 0.504 nan 8.290 nan 0.000 0.593 411 P HA -0.070 nan 4.420 nan 0.000 0.216 411 P C 2.078 179.397 177.300 0.031 0.000 1.150 411 P CA 0.858 63.968 63.100 0.018 0.000 0.843 411 P CB -0.145 31.562 31.700 0.012 0.000 0.787 412 L N -1.654 119.574 121.223 0.009 0.000 1.988 412 L HA -0.155 4.186 4.340 0.002 0.000 0.207 412 L C 2.602 179.697 176.870 0.376 0.000 1.071 412 L CA 1.390 56.301 54.840 0.118 0.000 0.744 412 L CB -1.147 40.770 42.059 -0.237 0.000 0.893 412 L HN -0.089 nan 8.230 nan 0.000 0.433 413 L N -0.402 120.892 121.223 0.118 0.000 2.083 413 L HA -0.215 4.126 4.340 0.002 0.000 0.209 413 L C 2.796 179.546 176.870 -0.199 0.000 1.083 413 L CA 1.140 55.933 54.840 -0.078 0.000 0.752 413 L CB -0.578 41.176 42.059 -0.509 0.000 0.899 413 L HN 0.277 nan 8.230 nan 0.000 0.433 414 A N -0.949 121.728 122.820 -0.238 0.000 1.972 414 A HA -0.233 4.089 4.320 0.002 0.000 0.219 414 A C 2.192 179.879 177.584 0.171 0.000 1.169 414 A CA 1.334 53.427 52.037 0.094 0.000 0.635 414 A CB -0.350 18.762 19.000 0.187 0.000 0.810 414 A HN 0.472 nan 8.150 nan 0.000 0.446 415 Q N -0.729 119.160 119.800 0.149 0.000 2.050 415 Q HA -0.115 4.226 4.340 0.002 0.000 0.202 415 Q C 2.151 178.214 176.000 0.104 0.000 0.980 415 Q CA 1.439 57.329 55.803 0.145 0.000 0.840 415 Q CB -0.265 28.593 28.738 0.198 0.000 0.898 415 Q HN 0.695 nan 8.270 nan 0.000 0.424 416 L N -0.334 120.928 121.223 0.064 0.000 2.017 416 L HA -0.198 4.143 4.340 0.002 0.000 0.208 416 L C 2.293 179.164 176.870 0.003 0.000 1.073 416 L CA 1.077 55.856 54.840 -0.102 0.000 0.745 416 L CB -0.250 41.618 42.059 -0.320 0.000 0.894 416 L HN 0.212 nan 8.230 nan 0.000 0.432 417 F N 0.695 120.634 119.950 -0.018 0.000 2.069 417 F HA -0.307 4.221 4.527 0.001 0.000 0.298 417 F C 2.481 178.327 175.800 0.077 0.000 1.113 417 F CA 1.831 59.860 58.000 0.048 0.000 1.214 417 F CB -0.100 38.995 39.000 0.159 0.000 0.978 417 F HN -0.103 nan 8.300 nan 0.000 0.474 418 K N -0.462 120.114 120.400 0.293 0.000 2.032 418 K HA -0.246 4.075 4.320 0.002 0.000 0.218 418 K C 1.925 178.573 176.600 0.081 0.000 1.054 418 K CA 2.676 59.083 56.287 0.199 0.000 0.941 418 K CB -0.846 31.742 32.500 0.147 0.000 0.720 418 K HN 0.265 nan 8.250 nan 0.000 0.449 419 T N 1.812 116.380 114.554 0.024 0.000 2.635 419 T HA -0.193 4.158 4.350 0.002 0.000 0.267 419 T C 1.874 176.524 174.700 -0.084 0.000 1.040 419 T CA 1.507 63.589 62.100 -0.031 0.000 1.156 419 T CB -0.322 68.519 68.868 -0.047 0.000 0.863 419 T HN 0.119 nan 8.240 nan 0.000 0.430 420 L N -0.431 120.710 121.223 -0.137 0.000 2.017 420 L HA -0.020 4.321 4.340 0.002 0.000 0.208 420 L C 2.322 179.056 176.870 -0.227 0.000 1.073 420 L CA 1.371 56.086 54.840 -0.209 0.000 0.745 420 L CB -0.501 41.385 42.059 -0.289 0.000 0.894 420 L HN 0.199 nan 8.230 nan 0.000 0.432 421 F N 0.591 120.279 119.950 -0.437 0.000 2.365 421 F HA -0.160 4.368 4.527 0.002 0.000 0.300 421 F C 2.359 178.038 175.800 -0.202 0.000 1.090 421 F CA 1.372 59.137 58.000 -0.393 0.000 1.408 421 F CB -0.130 38.617 39.000 -0.420 0.000 1.060 421 F HN -0.112 nan 8.300 nan 0.000 0.534 422 K N 0.042 120.309 120.400 -0.221 0.000 2.186 422 K HA -0.114 4.207 4.320 0.002 0.000 0.202 422 K C 2.125 178.604 176.600 -0.202 0.000 1.052 422 K CA 0.712 56.865 56.287 -0.223 0.000 0.965 422 K CB -0.073 32.382 32.500 -0.076 0.000 0.746 422 K HN 0.202 nan 8.250 nan 0.000 0.457 423 K N 1.194 121.494 120.400 -0.167 0.000 2.097 423 K HA -0.130 4.191 4.320 0.002 0.000 0.205 423 K C 2.125 178.630 176.600 -0.158 0.000 1.050 423 K CA 0.694 56.900 56.287 -0.136 0.000 0.938 423 K CB 0.002 32.432 32.500 -0.117 0.000 0.718 423 K HN -0.027 nan 8.250 nan 0.000 0.442 424 L N 0.665 121.750 121.223 -0.231 0.000 2.027 424 L HA -0.130 4.211 4.340 0.002 0.000 0.206 424 L C 2.154 178.888 176.870 -0.228 0.000 1.074 424 L CA 1.952 56.654 54.840 -0.230 0.000 0.745 424 L CB -0.899 40.992 42.059 -0.279 0.000 0.898 424 L HN 0.092 nan 8.230 nan 0.000 0.433 425 T N -0.644 113.678 114.554 -0.387 0.000 2.746 425 T HA -0.236 4.115 4.350 0.002 0.000 0.267 425 T C 1.894 176.566 174.700 -0.047 0.000 1.039 425 T CA 1.721 63.663 62.100 -0.264 0.000 1.142 425 T CB -0.156 68.432 68.868 -0.466 0.000 0.866 425 T HN 0.380 nan 8.240 nan 0.000 0.444 426 K N 0.575 120.934 120.400 -0.069 0.000 2.147 426 K HA -0.124 4.197 4.320 0.002 0.000 0.205 426 K C 1.802 178.435 176.600 0.054 0.000 1.049 426 K CA 1.561 57.845 56.287 -0.005 0.000 0.936 426 K CB -0.057 32.410 32.500 -0.054 0.000 0.722 426 K HN 0.187 nan 8.250 nan 0.000 0.446 427 D N 0.464 120.876 120.400 0.021 0.000 2.224 427 D HA -0.080 4.562 4.640 0.002 0.000 0.205 427 D C 1.697 178.065 176.300 0.114 0.000 0.965 427 D CA 0.737 54.766 54.000 0.049 0.000 0.852 427 D CB 0.179 40.977 40.800 -0.002 0.000 0.947 427 D HN 0.249 nan 8.370 nan 0.000 0.494 428 I N -0.074 120.569 120.570 0.122 0.000 2.500 428 I HA -0.141 4.030 4.170 0.002 0.000 0.252 428 I C 2.204 178.418 176.117 0.162 0.000 1.142 428 I CA 0.456 61.854 61.300 0.164 0.000 1.451 428 I CB -1.200 36.888 38.000 0.146 0.000 1.093 428 I HN -0.071 nan 8.210 nan 0.000 0.430 429 F N 2.040 122.012 119.950 0.037 0.000 2.333 429 F HA -0.135 4.393 4.527 0.002 0.000 0.300 429 F C 2.691 178.505 175.800 0.022 0.000 1.083 429 F CA 1.253 59.265 58.000 0.020 0.000 1.395 429 F CB 0.013 39.020 39.000 0.011 0.000 1.056 429 F HN -0.058 nan 8.300 nan 0.000 0.529 430 R N -1.754 118.904 120.500 0.263 0.000 2.112 430 R HA -0.116 4.225 4.340 0.002 0.000 0.216 430 R C 1.699 178.095 176.300 0.161 0.000 1.080 430 R CA 0.902 57.115 56.100 0.188 0.000 0.996 430 R CB -0.476 29.910 30.300 0.143 0.000 0.902 430 R HN 0.336 nan 8.270 nan 0.000 0.449 431 Y N 0.361 120.685 120.300 0.039 0.000 2.546 431 Y HA 0.029 4.581 4.550 0.002 0.000 0.287 431 Y C 1.884 177.778 175.900 -0.009 0.000 1.158 431 Y CA 0.534 58.643 58.100 0.015 0.000 1.307 431 Y CB 0.146 38.614 38.460 0.013 0.000 1.036 431 Y HN -0.104 nan 8.280 nan 0.000 0.532 432 M N -0.361 119.157 119.600 -0.138 0.000 2.236 432 M HA -0.138 4.343 4.480 0.002 0.000 0.266 432 M C 2.089 178.261 176.300 -0.213 0.000 1.070 432 M CA 1.604 56.757 55.300 -0.245 0.000 1.137 432 M CB -0.025 32.413 32.600 -0.269 0.000 1.378 432 M HN 0.214 nan 8.290 nan 0.000 0.426 433 Q N -0.604 119.130 119.800 -0.109 0.000 2.046 433 Q HA -0.129 4.212 4.340 0.002 0.000 0.200 433 Q C 2.013 177.973 176.000 -0.066 0.000 0.975 433 Q CA 1.423 57.194 55.803 -0.052 0.000 0.836 433 Q CB -0.094 28.668 28.738 0.040 0.000 0.896 433 Q HN 0.483 nan 8.270 nan 0.000 0.428 434 R N -0.031 120.429 120.500 -0.067 0.000 2.189 434 R HA -0.002 4.339 4.340 0.002 0.000 0.218 434 R C 0.765 176.994 176.300 -0.119 0.000 1.074 434 R CA 0.869 56.938 56.100 -0.052 0.000 0.991 434 R CB -0.006 30.307 30.300 0.022 0.000 0.883 434 R HN 0.064 nan 8.270 nan 0.000 0.457 435 T N 1.727 116.122 114.554 -0.264 0.000 4.320 435 T HA 0.057 4.408 4.350 0.002 0.000 0.221 435 T C 1.572 176.178 174.700 -0.158 0.000 0.896 435 T CA -0.095 61.844 62.100 -0.268 0.000 0.928 435 T CB -0.007 68.578 68.868 -0.473 0.000 1.369 435 T HN -0.063 nan 8.240 nan 0.000 0.836 436 V N 1.098 120.953 119.914 -0.098 0.000 2.313 436 V HA -0.233 3.888 4.120 0.002 0.000 0.253 436 V C 1.214 177.275 176.094 -0.055 0.000 1.070 436 V CA 1.716 63.979 62.300 -0.062 0.000 1.057 436 V CB -0.381 31.421 31.823 -0.035 0.000 0.653 436 V HN 0.743 nan 8.190 nan 0.000 0.450 447 A N 4.360 127.145 122.820 -0.058 0.000 2.312 447 A HA -0.148 4.173 4.320 0.002 0.000 0.286 447 A C -0.049 177.398 177.584 -0.228 0.000 1.425 447 A CA 1.261 53.131 52.037 -0.278 0.000 0.748 447 A CB -1.719 16.818 19.000 -0.771 0.000 1.126 447 A HN 0.488 nan 8.150 nan 0.000 0.368 448 I N 0.975 121.509 120.570 -0.061 0.000 2.354 448 I HA 0.195 4.366 4.170 0.002 0.000 0.286 448 I C 0.458 176.561 176.117 -0.023 0.000 1.007 448 I CA -1.270 60.024 61.300 -0.011 0.000 1.167 448 I CB 1.119 39.154 38.000 0.058 0.000 1.320 448 I HN 0.498 nan 8.210 nan 0.000 0.458 449 N N 5.308 123.977 118.700 -0.052 0.000 2.549 449 N HA 0.198 4.939 4.740 0.002 0.000 0.267 449 N C 1.054 176.536 175.510 -0.047 0.000 1.182 449 N CA 0.079 53.100 53.050 -0.048 0.000 1.019 449 N CB 0.779 39.229 38.487 -0.062 0.000 1.380 449 N HN 0.671 nan 8.380 nan 0.000 0.505 450 A N 3.698 126.508 122.820 -0.016 0.000 2.019 450 A HA -0.145 4.176 4.320 0.002 0.000 0.219 450 A C 2.112 179.659 177.584 -0.062 0.000 1.164 450 A CA 0.993 52.986 52.037 -0.073 0.000 0.644 450 A CB -0.386 18.627 19.000 0.021 0.000 0.805 450 A HN 0.676 nan 8.150 nan 0.000 0.449 451 K N -0.334 120.060 120.400 -0.011 0.000 2.074 451 K HA -0.177 4.144 4.320 0.002 0.000 0.209 451 K C 1.940 178.509 176.600 -0.051 0.000 1.048 451 K CA 1.924 58.204 56.287 -0.011 0.000 0.926 451 K CB -0.446 32.053 32.500 -0.001 0.000 0.713 451 K HN 0.488 nan 8.250 nan 0.000 0.444 452 T N 2.221 116.730 114.554 -0.075 0.000 2.565 452 T HA -0.227 4.124 4.350 0.002 0.000 0.265 452 T C 1.917 176.542 174.700 -0.125 0.000 1.082 452 T CA 2.067 64.107 62.100 -0.101 0.000 1.173 452 T CB -0.280 68.519 68.868 -0.116 0.000 0.864 452 T HN 0.224 nan 8.240 nan 0.000 0.425 453 I N 0.745 121.221 120.570 -0.158 0.000 2.163 453 I HA -0.176 3.995 4.170 0.002 0.000 0.240 453 I C 2.810 178.857 176.117 -0.117 0.000 1.081 453 I CA 1.313 62.498 61.300 -0.192 0.000 1.353 453 I CB -1.213 36.628 38.000 -0.264 0.000 1.054 453 I HN 0.284 nan 8.210 nan 0.000 0.407 454 T N 0.205 114.707 114.554 -0.088 0.000 2.570 454 T HA -0.253 4.098 4.350 0.002 0.000 0.266 454 T C 2.125 176.817 174.700 -0.012 0.000 1.071 454 T CA 2.428 64.514 62.100 -0.023 0.000 1.172 454 T CB -0.304 68.578 68.868 0.023 0.000 0.864 454 T HN 0.259 nan 8.240 nan 0.000 0.421 455 S N -0.222 115.467 115.700 -0.017 0.000 2.428 455 S HA 0.051 4.522 4.470 0.002 0.000 0.230 455 S C 2.198 176.795 174.600 -0.006 0.000 1.014 455 S CA 1.279 59.478 58.200 -0.003 0.000 0.957 455 S CB -0.613 62.580 63.200 -0.011 0.000 0.784 455 S HN 0.593 nan 8.310 nan 0.000 0.499 456 G N 1.182 109.955 108.800 -0.046 0.000 2.394 456 G HA2 -0.034 3.927 3.960 0.002 0.000 0.215 456 G HA3 -0.034 3.927 3.960 0.002 0.000 0.215 456 G C 1.334 176.193 174.900 -0.068 0.000 1.165 456 G CA 0.387 45.452 45.100 -0.057 0.000 0.784 456 G HN 0.486 nan 8.290 nan 0.000 0.535 457 L N -0.279 120.890 121.223 -0.091 0.000 2.201 457 L HA 0.020 4.361 4.340 0.002 0.000 0.212 457 L C 2.890 179.698 176.870 -0.103 0.000 1.105 457 L CA 0.859 55.624 54.840 -0.124 0.000 0.775 457 L CB -0.140 41.886 42.059 -0.055 0.000 0.913 457 L HN 0.193 nan 8.230 nan 0.000 0.440 458 K N -1.060 119.322 120.400 -0.030 0.000 2.103 458 K HA -0.200 4.121 4.320 0.002 0.000 0.204 458 K C 2.058 178.656 176.600 -0.003 0.000 1.052 458 K CA 1.209 57.495 56.287 -0.003 0.000 0.945 458 K CB -0.141 32.381 32.500 0.036 0.000 0.722 458 K HN 0.147 nan 8.250 nan 0.000 0.443 459 Y N 1.128 121.379 120.300 -0.081 0.000 2.163 459 Y HA -0.187 4.364 4.550 0.001 0.000 0.288 459 Y C 2.022 177.879 175.900 -0.071 0.000 1.136 459 Y CA 1.398 59.458 58.100 -0.067 0.000 1.147 459 Y CB -0.399 38.016 38.460 -0.076 0.000 0.987 459 Y HN 0.016 nan 8.280 nan 0.000 0.509 460 A N 0.209 122.830 122.820 -0.333 0.000 1.930 460 A HA -0.111 4.210 4.320 0.002 0.000 0.217 460 A C 2.231 179.739 177.584 -0.127 0.000 1.175 460 A CA 1.694 53.484 52.037 -0.412 0.000 0.627 460 A CB -1.053 17.478 19.000 -0.781 0.000 0.815 460 A HN 0.555 nan 8.150 nan 0.000 0.443 461 L N -1.190 119.974 121.223 -0.099 0.000 2.395 461 L HA -0.037 4.305 4.340 0.002 0.000 0.218 461 L C 2.846 179.708 176.870 -0.014 0.000 1.130 461 L CA 0.567 55.423 54.840 0.026 0.000 0.826 461 L CB -0.271 41.747 42.059 -0.068 0.000 0.941 461 L HN 0.458 nan 8.230 nan 0.000 0.451 462 A N -0.214 122.554 122.820 -0.086 0.000 1.850 462 A HA -0.022 4.299 4.320 0.002 0.000 0.212 462 A C 1.555 179.081 177.584 -0.096 0.000 1.208 462 A CA 1.325 53.323 52.037 -0.064 0.000 0.609 462 A CB -0.639 18.336 19.000 -0.041 0.000 0.860 462 A HN 0.397 nan 8.150 nan 0.000 0.448 463 T N -3.895 110.513 114.554 -0.244 0.000 2.771 463 T HA 0.465 4.816 4.350 0.002 0.000 0.290 463 T C 1.237 175.871 174.700 -0.109 0.000 1.005 463 T CA 0.100 62.072 62.100 -0.213 0.000 0.944 463 T CB 0.984 69.615 68.868 -0.396 0.000 1.147 463 T HN 0.367 nan 8.240 nan 0.000 0.534 464 G N -0.036 108.733 108.800 -0.052 0.000 2.712 464 G HA2 0.036 3.997 3.960 0.002 0.000 0.212 464 G HA3 0.036 3.997 3.960 0.002 0.000 0.212 464 G C 0.432 175.383 174.900 0.085 0.000 1.142 464 G CA -0.424 44.691 45.100 0.025 0.000 0.789 464 G HN 0.690 nan 8.290 nan 0.000 0.535 465 N N 1.204 119.894 118.700 -0.017 0.000 2.406 465 N HA -0.023 4.719 4.740 0.002 0.000 0.269 465 N C -0.354 175.225 175.510 0.114 0.000 1.210 465 N CA -0.260 52.821 53.050 0.051 0.000 0.966 465 N CB 0.216 38.732 38.487 0.048 0.000 1.293 465 N HN 0.346 nan 8.380 nan 0.000 0.491 466 W N 2.442 123.722 121.300 -0.034 0.000 1.303 466 W HA 0.197 4.858 4.660 0.002 0.000 0.478 466 W C 0.332 176.862 176.519 0.018 0.000 0.604 466 W CA -0.316 57.015 57.345 -0.024 0.000 2.319 466 W CB -0.134 29.310 29.460 -0.027 0.000 1.443 466 W HN 0.595 nan 8.180 nan 0.000 0.249 467 G N 0.723 109.483 108.800 -0.066 0.000 2.509 467 G HA2 -0.090 3.871 3.960 0.002 0.000 0.175 467 G HA3 -0.090 3.871 3.960 0.002 0.000 0.175 467 G C 0.070 174.962 174.900 -0.012 0.000 1.539 467 G CA -0.029 45.063 45.100 -0.014 0.000 0.665 467 G HN 0.202 nan 8.290 nan 0.000 1.105 468 E N 0.910 121.170 120.200 0.099 0.000 7.199 468 E HA -0.273 4.078 4.350 0.002 0.000 0.263 468 E C 0.846 177.416 176.600 -0.050 0.000 1.009 468 E CA 1.340 57.785 56.400 0.075 0.000 1.473 468 E CB -1.059 28.614 29.700 -0.044 0.000 0.927 468 E HN 1.306 nan 8.360 nan 0.000 0.276 469 Q N 2.041 121.711 119.800 -0.217 0.000 2.334 469 Q HA -0.316 4.025 4.340 0.002 0.000 0.231 469 Q C 0.143 176.105 176.000 -0.064 0.000 0.887 469 Q CA 2.712 58.394 55.803 -0.201 0.000 1.261 469 Q CB -1.258 27.338 28.738 -0.237 0.000 1.788 469 Q HN 0.729 nan 8.270 nan 0.000 0.560 470 K N 0.659 121.057 120.400 -0.003 0.000 2.102 470 K HA 0.015 4.336 4.320 0.002 0.000 0.206 470 K C 0.995 177.620 176.600 0.041 0.000 1.031 470 K CA 0.869 57.164 56.287 0.015 0.000 0.962 470 K CB 0.074 32.586 32.500 0.021 0.000 0.811 470 K HN 0.373 nan 8.250 nan 0.000 0.453 471 K N -0.660 119.786 120.400 0.077 0.000 3.557 471 K HA -0.325 3.996 4.320 0.002 0.000 0.292 471 K C 1.141 177.778 176.600 0.063 0.000 1.167 471 K CA 1.726 58.067 56.287 0.089 0.000 1.048 471 K CB -2.236 30.328 32.500 0.107 0.000 1.368 471 K HN 0.205 nan 8.250 nan 0.000 0.425 472 A N 1.290 124.138 122.820 0.047 0.000 1.892 472 A HA 0.029 4.350 4.320 0.002 0.000 0.218 472 A C 1.371 178.982 177.584 0.045 0.000 1.188 472 A CA 1.759 53.819 52.037 0.039 0.000 0.631 472 A CB -0.492 18.525 19.000 0.029 0.000 0.822 472 A HN 0.484 nan 8.150 nan 0.000 0.447 473 M N 2.211 121.842 119.600 0.052 0.000 2.987 473 M HA -0.038 4.443 4.480 0.002 0.000 0.331 473 M C 1.094 177.437 176.300 0.071 0.000 1.766 473 M CA 0.451 55.788 55.300 0.063 0.000 1.445 473 M CB -0.318 32.325 32.600 0.072 0.000 1.925 473 M HN 0.543 nan 8.290 nan 0.000 0.467 474 S N -0.387 115.348 115.700 0.059 0.000 2.723 474 S HA -0.078 4.393 4.470 0.002 0.000 0.231 474 S C 1.526 176.162 174.600 0.060 0.000 0.967 474 S CA 0.590 58.822 58.200 0.054 0.000 0.958 474 S CB -0.578 62.645 63.200 0.039 0.000 0.778 474 S HN 0.781 nan 8.310 nan 0.000 0.537 475 S N 2.787 118.536 115.700 0.083 0.000 2.465 475 S HA -0.218 4.253 4.470 0.002 0.000 0.241 475 S C 1.818 176.487 174.600 0.116 0.000 1.000 475 S CA 0.803 59.065 58.200 0.103 0.000 0.964 475 S CB -0.839 62.459 63.200 0.164 0.000 0.763 475 S HN 0.891 nan 8.310 nan 0.000 0.512 476 R N 1.967 122.531 120.500 0.108 0.000 2.438 476 R HA 0.015 4.356 4.340 0.002 0.000 0.227 476 R C 1.523 177.857 176.300 0.058 0.000 1.153 476 R CA 0.965 57.120 56.100 0.093 0.000 1.059 476 R CB -0.992 29.355 30.300 0.079 0.000 0.831 476 R HN 0.388 nan 8.270 nan 0.000 0.487 477 A N 1.685 124.530 122.820 0.043 0.000 2.114 477 A HA 0.081 4.403 4.320 0.002 0.000 0.201 477 A C 1.289 178.876 177.584 0.005 0.000 1.386 477 A CA 0.709 52.757 52.037 0.018 0.000 1.090 477 A CB -1.296 17.709 19.000 0.008 0.000 0.736 477 A HN 0.669 nan 8.150 nan 0.000 0.535 478 G N -0.436 108.373 108.800 0.014 0.000 2.395 478 G HA2 -0.163 3.798 3.960 0.002 0.000 0.292 478 G HA3 -0.163 3.798 3.960 0.002 0.000 0.292 478 G C 0.147 175.028 174.900 -0.033 0.000 0.953 478 G CA 0.132 45.233 45.100 0.002 0.000 1.207 478 G HN 1.146 nan 8.290 nan 0.000 0.503 479 V N 0.153 120.019 119.914 -0.080 0.000 2.625 479 V HA 0.292 4.413 4.120 0.002 0.000 0.305 479 V C 1.264 177.265 176.094 -0.156 0.000 1.055 479 V CA 1.076 63.252 62.300 -0.206 0.000 1.209 479 V CB 0.383 31.938 31.823 -0.446 0.000 0.877 479 V HN 2.264 nan 8.190 nan 0.000 0.489 480 S N 3.598 119.207 115.700 -0.153 0.000 3.179 480 S HA -0.114 4.357 4.470 0.002 0.000 0.739 480 S C -0.471 174.132 174.600 0.004 0.000 0.754 480 S CA 0.885 59.053 58.200 -0.052 0.000 1.436 480 S CB -0.491 62.720 63.200 0.019 0.000 1.035 480 S HN 1.351 nan 8.310 nan 0.000 0.743 481 Q N 2.075 121.885 119.800 0.016 0.000 2.626 481 Q HA 0.685 5.026 4.340 0.002 0.000 0.300 481 Q C 0.131 176.157 176.000 0.044 0.000 0.988 481 Q CA -0.863 54.966 55.803 0.043 0.000 0.761 481 Q CB 1.185 29.969 28.738 0.077 0.000 1.494 481 Q HN 0.899 nan 8.270 nan 0.000 0.439 482 V N 0.854 120.806 119.914 0.062 0.000 2.743 482 V HA 0.109 4.230 4.120 0.002 0.000 0.356 482 V C 0.974 177.081 176.094 0.021 0.000 1.594 482 V CA -0.308 62.013 62.300 0.036 0.000 1.652 482 V CB -1.981 29.857 31.823 0.025 0.000 1.389 482 V HN 0.777 nan 8.190 nan 0.000 0.514 483 L N 0.670 121.865 121.223 -0.047 0.000 6.208 483 L HA -0.295 4.046 4.340 0.002 0.000 0.053 483 L C 0.208 177.152 176.870 0.123 0.000 1.888 483 L CA 2.169 56.921 54.840 -0.147 0.000 1.783 483 L CB -0.959 40.959 42.059 -0.236 0.000 2.612 483 L HN 1.166 nan 8.230 nan 0.000 0.979 484 N N -1.586 117.139 118.700 0.042 0.000 7.226 484 N HA 0.186 4.927 4.740 0.002 0.000 0.102 484 N C -1.025 174.480 175.510 -0.008 0.000 0.939 484 N CA 0.245 53.337 53.050 0.071 0.000 1.217 484 N CB -0.068 38.523 38.487 0.173 0.000 1.327 484 N HN 0.600 nan 8.380 nan 0.000 1.313 485 R N 2.711 123.158 120.500 -0.089 0.000 2.698 485 R HA 0.344 4.685 4.340 0.002 0.000 0.422 485 R C 0.069 176.237 176.300 -0.220 0.000 1.073 485 R CA -0.301 55.687 56.100 -0.187 0.000 1.054 485 R CB -0.485 29.569 30.300 -0.410 0.000 1.373 485 R HN 0.629 nan 8.270 nan 0.000 0.593 486 Y N -1.018 119.199 120.300 -0.139 0.000 2.243 486 Y HA 0.161 4.713 4.550 0.002 0.000 0.293 486 Y C 0.168 176.094 175.900 0.044 0.000 1.124 486 Y CA 1.225 59.267 58.100 -0.096 0.000 1.159 486 Y CB 0.811 39.227 38.460 -0.073 0.000 1.008 486 Y HN -0.083 nan 8.280 nan 0.000 0.527 487 T N -1.496 113.219 114.554 0.268 0.000 2.896 487 T HA 0.092 4.443 4.350 0.002 0.000 0.297 487 T C -0.348 174.509 174.700 0.262 0.000 1.108 487 T CA -0.546 61.721 62.100 0.277 0.000 1.004 487 T CB 1.262 70.302 68.868 0.287 0.000 1.159 487 T HN 0.110 nan 8.240 nan 0.000 0.499 488 Y N 1.659 122.057 120.300 0.164 0.000 2.151 488 Y HA -0.194 4.357 4.550 0.002 0.000 0.284 488 Y C 2.753 178.721 175.900 0.115 0.000 1.166 488 Y CA 2.360 60.531 58.100 0.118 0.000 1.163 488 Y CB -0.297 38.187 38.460 0.040 0.000 0.974 488 Y HN 0.617 nan 8.280 nan 0.000 0.511 489 S N -1.111 114.687 115.700 0.162 0.000 2.402 489 S HA -0.173 4.298 4.470 0.002 0.000 0.229 489 S C 2.313 176.905 174.600 -0.014 0.000 1.021 489 S CA 1.369 59.598 58.200 0.047 0.000 0.974 489 S CB -0.755 62.513 63.200 0.114 0.000 0.800 489 S HN 0.714 nan 8.310 nan 0.000 0.484 490 S N 0.158 115.880 115.700 0.037 0.000 2.428 490 S HA -0.075 4.396 4.470 0.002 0.000 0.230 490 S C 1.805 176.404 174.600 -0.002 0.000 1.014 490 S CA 1.593 59.800 58.200 0.011 0.000 0.957 490 S CB -1.006 62.221 63.200 0.046 0.000 0.784 490 S HN 0.568 nan 8.310 nan 0.000 0.499 491 T N 3.083 117.618 114.554 -0.033 0.000 2.701 491 T HA 0.118 4.469 4.350 0.002 0.000 0.263 491 T C 1.780 176.418 174.700 -0.104 0.000 1.040 491 T CA 1.406 63.467 62.100 -0.066 0.000 1.147 491 T CB -0.581 68.212 68.868 -0.125 0.000 0.865 491 T HN 0.291 nan 8.240 nan 0.000 0.426 492 L N 1.038 122.129 121.223 -0.220 0.000 2.042 492 L HA -0.146 4.195 4.340 0.002 0.000 0.210 492 L C 2.946 179.775 176.870 -0.068 0.000 1.076 492 L CA 1.230 55.964 54.840 -0.176 0.000 0.749 492 L CB -0.633 41.293 42.059 -0.223 0.000 0.893 492 L HN 0.302 nan 8.230 nan 0.000 0.432 493 S N -0.990 114.678 115.700 -0.053 0.000 2.359 493 S HA -0.327 4.145 4.470 0.002 0.000 0.224 493 S C 2.031 176.651 174.600 0.033 0.000 1.035 493 S CA 1.759 59.946 58.200 -0.022 0.000 1.018 493 S CB -0.401 62.774 63.200 -0.040 0.000 0.876 493 S HN 0.584 nan 8.310 nan 0.000 0.448 494 H N -0.493 118.534 119.070 -0.072 0.000 2.421 494 H HA 0.100 4.657 4.556 0.002 0.000 0.298 494 H C 1.774 177.070 175.328 -0.053 0.000 1.087 494 H CA 1.220 57.230 56.048 -0.062 0.000 1.330 494 H CB -0.013 29.707 29.762 -0.069 0.000 1.388 494 H HN 0.339 nan 8.280 nan 0.000 0.526 495 L N 0.322 121.581 121.223 0.061 0.000 2.599 495 L HA 0.061 4.402 4.340 0.002 0.000 0.230 495 L C 0.853 177.721 176.870 -0.004 0.000 1.141 495 L CA 0.486 55.310 54.840 -0.027 0.000 0.877 495 L CB 0.261 42.297 42.059 -0.039 0.000 1.009 495 L HN 0.165 nan 8.230 nan 0.000 0.447 496 R N -0.441 120.068 120.500 0.016 0.000 2.767 496 R HA 0.249 4.590 4.340 0.002 0.000 0.377 496 R C 0.005 176.309 176.300 0.007 0.000 1.151 496 R CA -0.243 55.859 56.100 0.003 0.000 1.046 496 R CB 0.555 30.855 30.300 -0.001 0.000 1.404 496 R HN 0.072 nan 8.270 nan 0.000 0.580 497 R N 0.109 120.625 120.500 0.025 0.000 2.598 497 R HA 0.376 4.717 4.340 0.002 0.000 0.279 497 R C -0.624 175.680 176.300 0.007 0.000 0.984 497 R CA -0.086 56.027 56.100 0.022 0.000 0.999 497 R CB 1.651 31.989 30.300 0.064 0.000 1.114 497 R HN -0.115 nan 8.270 nan 0.000 0.493 498 T N 1.758 116.311 114.554 -0.001 0.000 2.863 498 T HA 0.361 4.712 4.350 0.002 0.000 0.285 498 T C -1.174 173.522 174.700 -0.006 0.000 1.009 498 T CA -0.641 61.461 62.100 0.003 0.000 0.989 498 T CB 1.338 70.221 68.868 0.025 0.000 1.004 498 T HN 0.563 nan 8.240 nan 0.000 0.455 499 N N 0.369 119.063 118.700 -0.009 0.000 2.312 499 N HA 0.678 5.419 4.740 0.002 0.000 0.296 499 N C -1.700 173.809 175.510 -0.002 0.000 1.193 499 N CA -0.491 52.552 53.050 -0.012 0.000 0.773 499 N CB 1.946 40.417 38.487 -0.025 0.000 1.435 499 N HN 0.483 nan 8.380 nan 0.000 0.484 500 T N 2.043 116.598 114.554 0.001 0.000 3.186 500 T HA 0.401 4.752 4.350 0.002 0.000 0.320 500 T C -2.661 172.042 174.700 0.006 0.000 0.955 500 T CA -0.771 61.336 62.100 0.013 0.000 1.030 500 T CB 1.479 70.364 68.868 0.027 0.000 1.013 500 T HN 0.446 nan 8.240 nan 0.000 0.454 501 P HA 0.574 nan 4.420 nan 0.000 0.275 501 P C 0.564 177.867 177.300 0.004 0.000 1.270 501 P CA -0.355 62.747 63.100 0.004 0.000 0.791 501 P CB 0.631 32.335 31.700 0.007 0.000 1.089 510 K N 1.258 121.652 120.400 -0.010 0.000 3.122 510 K HA 0.369 4.690 4.320 0.002 0.000 0.193 510 K C -2.202 174.411 176.600 0.021 0.000 1.141 510 K CA -1.649 54.644 56.287 0.010 0.000 0.975 510 K CB 1.218 33.734 32.500 0.027 0.000 1.173 510 K HN 0.283 nan 8.250 nan 0.000 0.546 511 P HA -0.067 nan 4.420 nan 0.000 0.237 511 P C 0.287 177.610 177.300 0.038 0.000 1.178 511 P CA 0.648 63.765 63.100 0.028 0.000 0.766 511 P CB 0.450 32.161 31.700 0.017 0.000 0.876 512 R N -1.200 119.317 120.500 0.030 0.000 2.225 512 R HA 0.144 4.485 4.340 0.002 0.000 0.194 512 R C 0.818 177.136 176.300 0.030 0.000 0.957 512 R CA -0.123 55.988 56.100 0.019 0.000 1.042 512 R CB -0.280 30.025 30.300 0.008 0.000 1.004 512 R HN 0.154 nan 8.270 nan 0.000 0.509 513 Q N 1.452 121.285 119.800 0.055 0.000 2.315 513 Q HA -0.002 4.339 4.340 0.002 0.000 0.289 513 Q C -0.691 175.390 176.000 0.135 0.000 1.044 513 Q CA 0.080 55.929 55.803 0.077 0.000 0.920 513 Q CB 0.534 29.325 28.738 0.088 0.000 1.214 513 Q HN 0.001 nan 8.270 nan 0.000 0.392 514 L N 4.501 125.791 121.223 0.111 0.000 2.600 514 L HA 0.056 4.397 4.340 0.002 0.000 0.278 514 L C -0.667 176.359 176.870 0.261 0.000 1.139 514 L CA 0.599 55.555 54.840 0.193 0.000 0.933 514 L CB -0.702 41.406 42.059 0.080 0.000 1.266 514 L HN 0.600 nan 8.230 nan 0.000 0.471 515 H N 3.524 122.738 119.070 0.239 0.000 2.562 515 H HA 0.231 4.788 4.556 0.002 0.000 0.352 515 H C 1.254 176.485 175.328 -0.161 0.000 1.125 515 H CA 0.260 56.245 56.048 -0.106 0.000 1.379 515 H CB 0.794 30.373 29.762 -0.305 0.000 1.464 515 H HN 0.682 nan 8.280 nan 0.000 0.563 516 N N 1.539 119.829 118.700 -0.684 0.000 2.132 516 N HA -0.209 4.532 4.740 0.002 0.000 0.191 516 N C 1.272 176.633 175.510 -0.248 0.000 1.015 516 N CA 1.963 54.761 53.050 -0.421 0.000 0.864 516 N CB -0.144 38.031 38.487 -0.519 0.000 1.006 516 N HN 0.758 nan 8.380 nan 0.000 0.430 517 T N -1.657 112.721 114.554 -0.295 0.000 3.118 517 T HA -0.025 4.326 4.350 0.002 0.000 0.260 517 T C 1.356 176.022 174.700 -0.057 0.000 1.139 517 T CA 0.578 62.594 62.100 -0.140 0.000 1.085 517 T CB -0.273 68.465 68.868 -0.217 0.000 0.934 517 T HN 0.257 nan 8.240 nan 0.000 0.518 518 H N -0.190 118.855 119.070 -0.041 0.000 2.518 518 H HA 0.027 4.584 4.556 0.002 0.000 0.289 518 H C 0.948 176.263 175.328 -0.020 0.000 1.051 518 H CA 0.259 56.203 56.048 -0.172 0.000 1.280 518 H CB -0.481 29.143 29.762 -0.230 0.000 1.380 518 H HN 0.584 nan 8.280 nan 0.000 0.566 519 W N 2.248 123.549 121.300 0.001 0.000 2.385 519 W HA 0.129 4.790 4.660 0.002 0.000 0.336 519 W C 0.836 177.357 176.519 0.003 0.000 1.351 519 W CA 1.562 58.903 57.345 -0.007 0.000 1.295 519 W CB 0.030 29.470 29.460 -0.034 0.000 1.239 519 W HN 0.483 nan 8.180 nan 0.000 0.565 520 G N 4.012 112.472 108.800 -0.567 0.000 2.234 520 G HA2 -0.354 3.607 3.960 0.002 0.000 0.260 520 G HA3 -0.354 3.607 3.960 0.002 0.000 0.260 520 G C 0.664 175.460 174.900 -0.172 0.000 0.987 520 G CA 0.668 45.502 45.100 -0.443 0.000 0.625 520 G HN 0.578 nan 8.290 nan 0.000 0.532 521 L N -0.906 120.279 121.223 -0.063 0.000 2.526 521 L HA 0.432 4.773 4.340 0.002 0.000 0.210 521 L C 0.582 177.444 176.870 -0.013 0.000 1.048 521 L CA 0.420 55.276 54.840 0.027 0.000 0.852 521 L CB 0.643 42.833 42.059 0.218 0.000 1.128 521 L HN 0.095 nan 8.230 nan 0.000 0.482 522 V N -0.165 119.698 119.914 -0.084 0.000 2.577 522 V HA 0.178 4.299 4.120 0.002 0.000 0.303 522 V C -0.325 175.668 176.094 -0.168 0.000 1.042 522 V CA -1.248 60.961 62.300 -0.152 0.000 0.872 522 V CB 2.132 33.761 31.823 -0.323 0.000 0.998 522 V HN 0.273 nan 8.190 nan 0.000 0.423 523 C N 8.788 128.004 119.300 -0.140 0.000 2.538 523 C HA 0.145 4.606 4.460 0.002 0.000 0.408 523 C C -0.089 174.822 174.990 -0.130 0.000 1.421 523 C CA -0.231 58.712 59.018 -0.125 0.000 1.642 523 C CB 0.310 27.991 27.740 -0.098 0.000 2.553 523 C HN 0.849 nan 8.230 nan 0.000 0.604 524 P HA 0.085 nan 4.420 nan 0.000 0.235 524 P C 0.848 178.110 177.300 -0.064 0.000 1.177 524 P CA 1.610 64.666 63.100 -0.074 0.000 0.785 524 P CB 0.121 31.806 31.700 -0.025 0.000 0.885 525 A N 0.235 123.016 122.820 -0.064 0.000 1.942 525 A HA 0.034 4.356 4.320 0.002 0.000 0.209 525 A C 1.408 178.957 177.584 -0.058 0.000 1.214 525 A CA 0.126 52.129 52.037 -0.057 0.000 0.686 525 A CB -0.670 18.298 19.000 -0.053 0.000 0.871 525 A HN 0.112 nan 8.150 nan 0.000 0.460 526 E N 1.230 121.389 120.200 -0.068 0.000 1.944 526 E HA 0.325 4.676 4.350 0.002 0.000 0.272 526 E C -0.825 175.737 176.600 -0.064 0.000 1.195 526 E CA 0.063 56.426 56.400 -0.062 0.000 0.926 526 E CB 0.002 29.661 29.700 -0.068 0.000 1.051 526 E HN 0.261 nan 8.360 nan 0.000 0.404 527 T N 4.116 118.642 114.554 -0.046 0.000 2.885 527 T HA 0.398 4.749 4.350 0.002 0.000 0.322 527 T C -2.812 171.872 174.700 -0.027 0.000 1.387 527 T CA -1.587 60.483 62.100 -0.049 0.000 1.041 527 T CB 1.579 70.412 68.868 -0.059 0.000 1.287 527 T HN 0.234 nan 8.240 nan 0.000 0.491 528 P HA 0.334 nan 4.420 nan 0.000 0.272 528 P C -0.682 176.608 177.300 -0.017 0.000 1.223 528 P CA -0.222 62.858 63.100 -0.033 0.000 0.784 528 P CB 0.622 32.294 31.700 -0.048 0.000 0.923 529 E N 0.128 120.316 120.200 -0.020 0.000 2.283 529 E HA 0.462 4.813 4.350 0.002 0.000 0.267 529 E C 0.884 177.466 176.600 -0.031 0.000 1.045 529 E CA -0.454 55.938 56.400 -0.014 0.000 0.884 529 E CB 0.372 30.048 29.700 -0.040 0.000 1.106 529 E HN 0.726 nan 8.360 nan 0.000 0.408 530 G N 1.244 110.031 108.800 -0.022 0.000 2.564 530 G HA2 -0.439 3.522 3.960 0.002 0.000 0.273 530 G HA3 -0.439 3.522 3.960 0.002 0.000 0.273 530 G C 0.620 175.505 174.900 -0.024 0.000 1.242 530 G CA 0.509 45.593 45.100 -0.026 0.000 0.951 530 G HN 0.744 nan 8.290 nan 0.000 0.564 531 Q N -1.743 118.041 119.800 -0.026 0.000 2.778 531 Q HA -0.331 4.010 4.340 0.002 0.000 0.431 531 Q C 1.722 177.709 176.000 -0.021 0.000 0.625 531 Q CA 2.868 58.656 55.803 -0.024 0.000 1.030 531 Q CB -1.218 27.502 28.738 -0.029 0.000 1.361 531 Q HN 2.188 nan 8.270 nan 0.000 1.036 532 A N 0.168 122.974 122.820 -0.024 0.000 3.047 532 A HA 0.445 4.766 4.320 0.002 0.000 0.337 532 A C -0.746 176.823 177.584 -0.025 0.000 1.143 532 A CA -0.405 51.619 52.037 -0.022 0.000 0.905 532 A CB 0.563 19.549 19.000 -0.024 0.000 1.088 532 A HN 0.471 nan 8.150 nan 0.000 0.488 533 C N 1.334 120.621 119.300 -0.020 0.000 2.273 533 C HA 0.654 5.115 4.460 0.002 0.000 0.328 533 C C 1.526 176.502 174.990 -0.022 0.000 1.275 533 C CA 1.114 60.120 59.018 -0.020 0.000 1.704 533 C CB -0.759 26.975 27.740 -0.010 0.000 2.326 533 C HN 1.992 nan 8.230 nan 0.000 0.517 534 G N 4.750 113.528 108.800 -0.036 0.000 2.199 534 G HA2 -0.226 3.735 3.960 0.002 0.000 0.254 534 G HA3 -0.226 3.735 3.960 0.002 0.000 0.254 534 G C 0.546 175.419 174.900 -0.044 0.000 0.982 534 G CA 0.610 45.681 45.100 -0.048 0.000 0.632 534 G HN 0.739 nan 8.290 nan 0.000 0.529 535 L N -0.140 121.064 121.223 -0.031 0.000 2.253 535 L HA 0.256 4.597 4.340 0.002 0.000 0.205 535 L C 1.319 178.173 176.870 -0.027 0.000 1.078 535 L CA 0.505 55.333 54.840 -0.020 0.000 0.805 535 L CB -0.065 41.986 42.059 -0.013 0.000 0.963 535 L HN 0.133 nan 8.230 nan 0.000 0.459 536 V N 1.337 121.229 119.914 -0.037 0.000 2.461 536 V HA 0.170 4.291 4.120 0.002 0.000 0.275 536 V C -0.292 175.766 176.094 -0.060 0.000 1.047 536 V CA -0.162 62.114 62.300 -0.041 0.000 0.955 536 V CB 1.297 33.094 31.823 -0.043 0.000 0.988 536 V HN 0.183 nan 8.190 nan 0.000 0.471 537 K N 3.678 124.044 120.400 -0.058 0.000 2.400 537 K HA 0.577 4.898 4.320 0.002 0.000 0.246 537 K C -0.739 175.824 176.600 -0.063 0.000 0.995 537 K CA -0.696 55.539 56.287 -0.087 0.000 0.840 537 K CB 1.687 34.109 32.500 -0.130 0.000 1.293 537 K HN 0.631 nan 8.250 nan 0.000 0.445 538 N N 1.025 119.680 118.700 -0.076 0.000 2.269 538 N HA 0.334 5.075 4.740 0.002 0.000 0.304 538 N C -0.840 174.634 175.510 -0.061 0.000 1.072 538 N CA -0.715 52.303 53.050 -0.054 0.000 0.802 538 N CB 1.600 40.055 38.487 -0.053 0.000 1.348 538 N HN 0.199 nan 8.380 nan 0.000 0.484 539 L N 1.303 122.503 121.223 -0.037 0.000 2.461 539 L HA 0.068 4.409 4.340 0.002 0.000 0.272 539 L C 1.067 177.905 176.870 -0.052 0.000 1.197 539 L CA 0.364 55.182 54.840 -0.036 0.000 0.836 539 L CB 0.639 42.682 42.059 -0.026 0.000 1.105 539 L HN 0.508 nan 8.230 nan 0.000 0.477 540 S N 1.961 117.618 115.700 -0.071 0.000 2.589 540 S HA 0.113 4.584 4.470 0.002 0.000 0.265 540 S C 1.394 175.956 174.600 -0.063 0.000 1.342 540 S CA -0.715 57.433 58.200 -0.087 0.000 1.005 540 S CB 0.926 64.047 63.200 -0.132 0.000 0.909 540 S HN 0.481 nan 8.310 nan 0.000 0.555 541 L N 1.046 122.245 121.223 -0.040 0.000 1.991 541 L HA -0.206 4.135 4.340 0.002 0.000 0.221 541 L C 1.955 178.802 176.870 -0.039 0.000 1.079 541 L CA 1.773 56.647 54.840 0.056 0.000 0.778 541 L CB -0.272 41.851 42.059 0.107 0.000 0.893 541 L HN 0.687 nan 8.230 nan 0.000 0.437 542 M N -1.094 118.352 119.600 -0.258 0.000 2.356 542 M HA 0.075 4.557 4.480 0.002 0.000 0.262 542 M C 0.680 176.703 176.300 -0.462 0.000 1.097 542 M CA -0.092 54.817 55.300 -0.653 0.000 0.991 542 M CB 0.395 32.527 32.600 -0.780 0.000 1.450 542 M HN 0.209 nan 8.290 nan 0.000 0.495 543 S N -0.504 115.038 115.700 -0.263 0.000 2.632 543 S HA 0.551 5.022 4.470 0.002 0.000 0.271 543 S C -0.091 174.328 174.600 -0.301 0.000 1.260 543 S CA -0.803 57.242 58.200 -0.260 0.000 1.010 543 S CB 1.666 64.766 63.200 -0.167 0.000 0.965 543 S HN 0.362 nan 8.310 nan 0.000 0.534 544 C N 0.452 119.412 119.300 -0.566 0.000 3.259 544 C HA 0.734 5.195 4.460 0.002 0.000 0.328 544 C C -0.802 173.788 174.990 -0.668 0.000 1.425 544 C CA -0.837 57.796 59.018 -0.641 0.000 1.465 544 C CB 0.768 27.984 27.740 -0.874 0.000 1.890 544 C HN 0.893 nan 8.230 nan 0.000 0.450 545 I N 1.338 121.686 120.570 -0.370 0.000 2.498 545 I HA 0.370 4.541 4.170 0.002 0.000 0.290 545 I C 0.378 176.568 176.117 0.122 0.000 1.032 545 I CA 0.224 61.466 61.300 -0.096 0.000 1.073 545 I CB 1.972 39.934 38.000 -0.064 0.000 1.251 545 I HN 0.759 nan 8.210 nan 0.000 0.426 546 S N 4.588 120.428 115.700 0.234 0.000 2.549 546 S HA 0.187 4.658 4.470 0.002 0.000 0.286 546 S C 0.782 175.421 174.600 0.066 0.000 1.314 546 S CA -0.581 57.721 58.200 0.170 0.000 1.062 546 S CB 1.212 64.451 63.200 0.065 0.000 0.865 546 S HN 0.441 nan 8.310 nan 0.000 0.498 547 V N 2.997 122.936 119.914 0.040 0.000 2.500 547 V HA 0.380 4.501 4.120 0.002 0.000 0.243 547 V C 1.389 177.470 176.094 -0.020 0.000 1.039 547 V CA 1.330 63.634 62.300 0.006 0.000 1.053 547 V CB -0.740 31.080 31.823 -0.006 0.000 0.695 547 V HN 1.496 nan 8.190 nan 0.000 0.463 548 G N 0.743 109.523 108.800 -0.033 0.000 3.199 548 G HA2 -0.076 3.885 3.960 0.002 0.000 0.680 548 G HA3 -0.076 3.885 3.960 0.002 0.000 0.680 548 G C -0.339 174.516 174.900 -0.074 0.000 1.197 548 G CA -0.263 44.816 45.100 -0.036 0.000 1.143 548 G HN 0.292 nan 8.290 nan 0.000 0.492 549 T N 0.964 115.478 114.554 -0.067 0.000 2.814 549 T HA 0.591 4.942 4.350 0.002 0.000 0.284 549 T C 0.107 174.771 174.700 -0.061 0.000 0.998 549 T CA -0.195 61.853 62.100 -0.086 0.000 0.935 549 T CB 1.241 70.066 68.868 -0.072 0.000 1.167 549 T HN 0.546 nan 8.240 nan 0.000 0.545 550 D N 0.909 121.276 120.400 -0.056 0.000 2.198 550 D HA 0.342 4.983 4.640 0.002 0.000 0.245 550 D C -1.288 174.998 176.300 -0.024 0.000 1.079 550 D CA -2.240 51.740 54.000 -0.032 0.000 0.854 550 D CB 1.345 42.131 40.800 -0.024 0.000 1.148 550 D HN 0.081 nan 8.370 nan 0.000 0.456 551 P HA -0.095 nan 4.420 nan 0.000 0.225 551 P C 1.514 178.800 177.300 -0.023 0.000 1.156 551 P CA 0.589 63.679 63.100 -0.015 0.000 0.787 551 P CB 0.250 31.951 31.700 0.001 0.000 0.802 552 M N -0.683 118.907 119.600 -0.015 0.000 2.213 552 M HA -0.026 4.455 4.480 0.002 0.000 0.263 552 M C -0.616 175.682 176.300 -0.003 0.000 1.062 552 M CA 1.741 57.033 55.300 -0.015 0.000 1.105 552 M CB -2.231 30.369 32.600 -0.001 0.000 1.385 552 M HN -0.028 nan 8.290 nan 0.000 0.417 553 P HA -0.123 nan 4.420 nan 0.000 0.215 553 P C 1.628 178.962 177.300 0.056 0.000 1.153 553 P CA 1.142 64.258 63.100 0.027 0.000 0.853 553 P CB -0.166 31.535 31.700 0.003 0.000 0.788 554 I N -0.792 119.789 120.570 0.017 0.000 2.133 554 I HA -0.179 3.992 4.170 0.002 0.000 0.238 554 I C 2.331 178.484 176.117 0.060 0.000 1.074 554 I CA 1.510 62.834 61.300 0.041 0.000 1.342 554 I CB -1.464 36.525 38.000 -0.018 0.000 1.053 554 I HN -0.090 nan 8.210 nan 0.000 0.404 555 I N 1.304 121.844 120.570 -0.050 0.000 2.143 555 I HA -0.329 3.842 4.170 0.002 0.000 0.245 555 I C 2.618 178.697 176.117 -0.063 0.000 1.068 555 I CA 2.050 63.254 61.300 -0.160 0.000 1.326 555 I CB -2.062 35.769 38.000 -0.282 0.000 1.028 555 I HN 0.281 nan 8.210 nan 0.000 0.412 556 T N 1.291 115.844 114.554 -0.002 0.000 2.674 556 T HA -0.208 4.143 4.350 0.002 0.000 0.265 556 T C 1.761 176.511 174.700 0.083 0.000 1.039 556 T CA 1.606 63.725 62.100 0.032 0.000 1.150 556 T CB -0.680 68.217 68.868 0.049 0.000 0.864 556 T HN 0.342 nan 8.240 nan 0.000 0.427 557 F N 1.679 121.639 119.950 0.017 0.000 2.126 557 F HA -0.055 4.473 4.527 0.002 0.000 0.299 557 F C 1.897 177.776 175.800 0.131 0.000 1.096 557 F CA 1.007 59.055 58.000 0.079 0.000 1.255 557 F CB -0.484 38.526 39.000 0.017 0.000 0.997 557 F HN 0.043 nan 8.300 nan 0.000 0.479 558 L N 0.212 121.514 121.223 0.132 0.000 1.956 558 L HA -0.293 4.048 4.340 0.002 0.000 0.216 558 L C 2.613 179.465 176.870 -0.030 0.000 1.073 558 L CA 1.926 56.793 54.840 0.045 0.000 0.762 558 L CB -1.121 40.968 42.059 0.051 0.000 0.889 558 L HN 0.289 nan 8.230 nan 0.000 0.433 559 S N -1.141 114.541 115.700 -0.031 0.000 2.711 559 S HA -0.118 4.354 4.470 0.002 0.000 0.237 559 S C 1.048 175.603 174.600 -0.074 0.000 0.971 559 S CA 0.780 58.959 58.200 -0.036 0.000 0.964 559 S CB -0.478 62.700 63.200 -0.036 0.000 0.775 559 S HN 0.500 nan 8.310 nan 0.000 0.540 560 E N -0.996 119.129 120.200 -0.124 0.000 2.583 560 E HA 0.167 4.518 4.350 0.002 0.000 0.213 560 E C -0.900 175.471 176.600 -0.381 0.000 0.989 560 E CA -0.208 56.064 56.400 -0.213 0.000 0.991 560 E CB 0.353 29.944 29.700 -0.182 0.000 1.040 560 E HN 0.708 nan 8.360 nan 0.000 0.481 561 W N 1.159 122.258 121.300 -0.335 0.000 1.187 561 W HA 0.362 5.023 4.660 0.002 0.000 0.297 561 W C 0.586 177.116 176.519 0.018 0.000 0.842 561 W CA 0.066 57.271 57.345 -0.233 0.000 2.286 561 W CB 1.000 30.218 29.460 -0.404 0.000 1.736 561 W HN 0.173 nan 8.180 nan 0.000 0.507 562 G N 0.929 109.782 108.800 0.088 0.000 2.545 562 G HA2 -0.134 3.827 3.960 0.002 0.000 0.216 562 G HA3 -0.134 3.827 3.960 0.002 0.000 0.216 562 G C 0.019 175.020 174.900 0.168 0.000 1.314 562 G CA -0.379 44.795 45.100 0.123 0.000 0.906 562 G HN 0.636 nan 8.290 nan 0.000 0.563 563 M N -0.762 118.961 119.600 0.204 0.000 4.033 563 M HA -0.094 4.387 4.480 0.002 0.000 0.157 563 M C -0.362 175.943 176.300 0.008 0.000 1.530 563 M CA 0.800 56.187 55.300 0.144 0.000 1.093 563 M CB -0.692 32.000 32.600 0.154 0.000 1.345 563 M HN 0.926 nan 8.290 nan 0.000 0.208 564 E N 6.813 126.987 120.200 -0.042 0.000 2.373 564 E HA 0.396 4.747 4.350 0.002 0.000 0.267 564 E C -2.062 174.486 176.600 -0.087 0.000 1.032 564 E CA -0.629 55.734 56.400 -0.061 0.000 0.889 564 E CB 0.571 30.236 29.700 -0.059 0.000 0.984 564 E HN 0.356 nan 8.360 nan 0.000 0.425 565 P HA -0.052 nan 4.420 nan 0.000 0.275 565 P C 0.375 177.574 177.300 -0.168 0.000 1.266 565 P CA -0.360 62.689 63.100 -0.085 0.000 0.793 565 P CB 0.743 32.425 31.700 -0.029 0.000 1.074 566 L N 0.789 121.866 121.223 -0.244 0.000 2.156 566 L HA -0.129 4.212 4.340 0.002 0.000 0.208 566 L C 2.126 178.840 176.870 -0.261 0.000 1.095 566 L CA 1.806 56.369 54.840 -0.462 0.000 0.770 566 L CB -1.260 40.437 42.059 -0.603 0.000 0.914 566 L HN 0.346 nan 8.230 nan 0.000 0.439 567 E N -1.733 118.441 120.200 -0.044 0.000 2.427 567 E HA -0.148 4.203 4.350 0.002 0.000 0.196 567 E C 0.793 177.441 176.600 0.080 0.000 1.028 567 E CA 0.760 57.216 56.400 0.094 0.000 0.864 567 E CB -0.374 29.375 29.700 0.080 0.000 0.813 567 E HN 0.529 nan 8.360 nan 0.000 0.514 568 D N 0.048 120.460 120.400 0.019 0.000 2.360 568 D HA -0.029 4.613 4.640 0.002 0.000 0.210 568 D C -0.239 176.088 176.300 0.045 0.000 1.047 568 D CA -0.055 53.962 54.000 0.028 0.000 0.854 568 D CB 0.009 40.810 40.800 0.002 0.000 0.936 568 D HN 0.126 nan 8.370 nan 0.000 0.514 569 Y N 1.967 122.162 120.300 -0.176 0.000 2.377 569 Y HA 0.236 4.787 4.550 0.002 0.000 0.330 569 Y C -0.580 175.250 175.900 -0.118 0.000 1.108 569 Y CA -0.546 57.405 58.100 -0.249 0.000 1.308 569 Y CB 0.601 38.735 38.460 -0.544 0.000 1.216 569 Y HN -0.367 nan 8.280 nan 0.000 0.518 570 V N 10.050 129.731 119.914 -0.388 0.000 2.349 570 V HA 0.236 4.357 4.120 0.002 0.000 0.284 570 V C -1.996 173.782 176.094 -0.526 0.000 1.014 570 V CA -1.532 60.571 62.300 -0.329 0.000 0.826 570 V CB 1.453 33.224 31.823 -0.086 0.000 1.009 570 V HN 0.677 nan 8.190 nan 0.000 0.431 571 P HA -0.151 nan 4.420 nan 0.000 0.215 571 P C 1.508 178.780 177.300 -0.047 0.000 1.157 571 P CA 1.291 64.148 63.100 -0.404 0.000 0.863 571 P CB -0.024 31.640 31.700 -0.060 0.000 0.787 572 H N 0.366 119.418 119.070 -0.030 0.000 2.567 572 H HA -0.028 4.529 4.556 0.002 0.000 0.276 572 H C 1.099 176.441 175.328 0.024 0.000 1.016 572 H CA 1.022 57.089 56.048 0.030 0.000 1.186 572 H CB -0.435 29.349 29.762 0.038 0.000 1.351 572 H HN 0.327 nan 8.280 nan 0.000 0.605 573 Q N 0.650 120.160 119.800 -0.482 0.000 2.189 573 Q HA 0.184 4.525 4.340 0.002 0.000 0.223 573 Q C -0.313 175.603 176.000 -0.141 0.000 0.828 573 Q CA 0.094 55.668 55.803 -0.383 0.000 0.967 573 Q CB 0.780 29.229 28.738 -0.481 0.000 1.139 573 Q HN 0.312 nan 8.270 nan 0.000 0.497 574 S N -0.461 115.205 115.700 -0.056 0.000 2.708 574 S HA 0.297 4.769 4.470 0.002 0.000 0.141 574 S C -2.654 172.011 174.600 0.108 0.000 1.349 574 S CA -0.761 57.458 58.200 0.032 0.000 1.206 574 S CB 1.116 64.353 63.200 0.062 0.000 1.603 574 S HN 0.025 nan 8.310 nan 0.000 0.415 575 P HA 0.080 nan 4.420 nan 0.000 0.224 575 P C 0.636 178.007 177.300 0.117 0.000 1.157 575 P CA 0.774 63.952 63.100 0.130 0.000 0.799 575 P CB 0.058 31.827 31.700 0.114 0.000 0.809 576 D N 0.230 120.679 120.400 0.082 0.000 2.312 576 D HA 0.007 4.648 4.640 0.002 0.000 0.211 576 D C 0.909 177.243 176.300 0.056 0.000 0.964 576 D CA 0.391 54.429 54.000 0.064 0.000 0.877 576 D CB -0.456 40.370 40.800 0.045 0.000 0.924 576 D HN 0.089 nan 8.370 nan 0.000 0.515 577 A N 1.580 124.433 122.820 0.055 0.000 2.553 577 A HA 0.123 4.444 4.320 0.002 0.000 0.258 577 A C 0.535 178.128 177.584 0.014 0.000 1.069 577 A CA 0.195 52.244 52.037 0.021 0.000 0.767 577 A CB -0.223 18.776 19.000 -0.001 0.000 0.997 577 A HN -0.020 nan 8.150 nan 0.000 0.512 578 T N 4.256 118.834 114.554 0.039 0.000 2.834 578 T HA 0.328 4.679 4.350 0.002 0.000 0.298 578 T C 0.628 175.327 174.700 -0.002 0.000 0.966 578 T CA -0.003 62.120 62.100 0.038 0.000 1.141 578 T CB 0.129 69.041 68.868 0.074 0.000 0.905 578 T HN 0.738 nan 8.240 nan 0.000 0.535 579 R N 1.515 121.977 120.500 -0.064 0.000 2.459 579 R HA 0.648 4.989 4.340 0.002 0.000 0.281 579 R C -1.047 175.157 176.300 -0.159 0.000 1.050 579 R CA -0.928 55.074 56.100 -0.163 0.000 1.055 579 R CB 0.530 30.540 30.300 -0.484 0.000 1.045 579 R HN 0.308 nan 8.270 nan 0.000 0.495 580 V N 3.116 122.945 119.914 -0.141 0.000 2.448 580 V HA 0.412 4.533 4.120 0.002 0.000 0.295 580 V C -0.858 175.142 176.094 -0.156 0.000 1.025 580 V CA -0.603 61.666 62.300 -0.053 0.000 0.859 580 V CB 0.973 32.811 31.823 0.024 0.000 0.988 580 V HN 0.550 nan 8.190 nan 0.000 0.431 581 F N 3.162 123.075 119.950 -0.061 0.000 2.495 581 F HA 0.701 5.229 4.527 0.002 0.000 0.327 581 F C -0.059 175.690 175.800 -0.085 0.000 1.103 581 F CA -0.833 57.123 58.000 -0.074 0.000 0.949 581 F CB 2.224 41.109 39.000 -0.190 0.000 1.142 581 F HN 0.159 nan 8.300 nan 0.000 0.457 582 V N 3.677 123.692 119.914 0.169 0.000 2.443 582 V HA 0.285 4.406 4.120 0.002 0.000 0.293 582 V C -0.335 175.731 176.094 -0.047 0.000 1.021 582 V CA -1.142 61.179 62.300 0.036 0.000 0.848 582 V CB 1.249 33.159 31.823 0.145 0.000 0.998 582 V HN 0.867 nan 8.190 nan 0.000 0.424 583 N N 3.913 122.419 118.700 -0.323 0.000 2.714 583 N HA -0.213 4.528 4.740 0.002 0.000 0.250 583 N C 1.142 176.576 175.510 -0.125 0.000 1.117 583 N CA 1.706 54.589 53.050 -0.278 0.000 0.719 583 N CB -1.100 37.360 38.487 -0.045 0.000 1.081 583 N HN 1.570 nan 8.380 nan 0.000 0.557 584 G N -2.769 105.957 108.800 -0.124 0.000 2.157 584 G HA2 -0.288 3.673 3.960 0.002 0.000 0.248 584 G HA3 -0.288 3.673 3.960 0.002 0.000 0.248 584 G C -0.060 175.009 174.900 0.282 0.000 0.979 584 G CA 0.241 45.410 45.100 0.115 0.000 0.650 584 G HN 0.463 nan 8.290 nan 0.000 0.529 585 V N 0.705 120.695 119.914 0.126 0.000 2.427 585 V HA 0.602 4.723 4.120 0.002 0.000 0.286 585 V C 0.157 176.146 176.094 -0.174 0.000 1.034 585 V CA -0.811 61.397 62.300 -0.153 0.000 0.893 585 V CB 1.540 33.129 31.823 -0.391 0.000 0.982 585 V HN 0.332 nan 8.190 nan 0.000 0.452 586 W N 5.427 126.436 121.300 -0.484 0.000 2.342 586 W HA 0.433 5.094 4.660 0.002 0.000 0.310 586 W C 0.781 176.972 176.519 -0.547 0.000 1.128 586 W CA -0.778 56.147 57.345 -0.700 0.000 1.322 586 W CB 0.230 29.302 29.460 -0.646 0.000 1.251 586 W HN 0.699 nan 8.180 nan 0.000 0.439 587 H N 3.185 122.222 119.070 -0.055 0.000 2.547 587 H HA 0.283 4.840 4.556 0.002 0.000 0.272 587 H C 1.117 176.304 175.328 -0.235 0.000 0.971 587 H CA 1.303 57.269 56.048 -0.136 0.000 1.245 587 H CB 0.906 30.628 29.762 -0.068 0.000 1.440 587 H HN 0.518 nan 8.280 nan 0.000 0.540 588 G N 0.028 108.743 108.800 -0.142 0.000 2.336 588 G HA2 0.294 4.255 3.960 0.002 0.000 0.286 588 G HA3 0.294 4.255 3.960 0.002 0.000 0.286 588 G C -1.181 173.640 174.900 -0.131 0.000 1.269 588 G CA -0.147 44.783 45.100 -0.283 0.000 0.873 588 G HN 0.222 nan 8.290 nan 0.000 0.494 589 V N -3.028 116.746 119.914 -0.233 0.000 3.158 589 V HA 0.967 5.088 4.120 0.002 0.000 0.315 589 V C -0.570 175.514 176.094 -0.016 0.000 1.148 589 V CA -0.826 61.359 62.300 -0.192 0.000 1.042 589 V CB 1.892 33.405 31.823 -0.516 0.000 1.101 589 V HN 1.568 nan 8.190 nan 0.000 0.448 590 H N 0.844 119.859 119.070 -0.091 0.000 3.240 590 H HA 0.482 5.040 4.556 0.002 0.000 0.329 590 H C -0.331 174.989 175.328 -0.014 0.000 1.024 590 H CA -0.449 55.577 56.048 -0.037 0.000 1.487 590 H CB 1.125 30.882 29.762 -0.008 0.000 1.909 590 H HN 1.076 nan 8.280 nan 0.000 0.465 591 R N 4.053 124.386 120.500 -0.278 0.000 2.539 591 R HA 0.246 4.587 4.340 0.002 0.000 0.275 591 R C -0.398 175.780 176.300 -0.204 0.000 1.077 591 R CA -0.268 55.737 56.100 -0.158 0.000 1.097 591 R CB 0.442 30.667 30.300 -0.125 0.000 1.018 591 R HN 0.815 nan 8.270 nan 0.000 0.483 592 N N 1.768 120.473 118.700 0.007 0.000 2.663 592 N HA -0.081 4.660 4.740 0.002 0.000 0.263 592 N C -2.062 173.637 175.510 0.315 0.000 1.109 592 N CA 0.628 53.742 53.050 0.108 0.000 0.701 592 N CB -0.191 38.334 38.487 0.063 0.000 0.879 592 N HN 0.690 nan 8.380 nan 0.000 0.550 593 P HA 0.132 nan 4.420 nan 0.000 0.245 593 P C 0.935 178.292 177.300 0.094 0.000 1.203 593 P CA 0.816 64.044 63.100 0.213 0.000 0.792 593 P CB 0.076 31.865 31.700 0.148 0.000 0.997 594 A N 0.181 123.059 122.820 0.097 0.000 2.168 594 A HA -0.009 4.312 4.320 0.002 0.000 0.215 594 A C 2.263 179.883 177.584 0.059 0.000 1.152 594 A CA 0.774 52.847 52.037 0.061 0.000 0.716 594 A CB -0.746 18.287 19.000 0.055 0.000 0.794 594 A HN 0.077 nan 8.150 nan 0.000 0.465 595 R N -1.675 118.881 120.500 0.094 0.000 2.123 595 R HA 0.166 4.507 4.340 0.002 0.000 0.209 595 R C 1.922 178.261 176.300 0.066 0.000 1.078 595 R CA 0.495 56.652 56.100 0.096 0.000 1.028 595 R CB -0.388 30.006 30.300 0.155 0.000 0.939 595 R HN 0.399 nan 8.270 nan 0.000 0.463 596 L N 1.011 122.276 121.223 0.071 0.000 1.997 596 L HA -0.219 4.122 4.340 0.002 0.000 0.216 596 L C 2.130 178.958 176.870 -0.070 0.000 1.074 596 L CA 2.004 56.812 54.840 -0.054 0.000 0.763 596 L CB -0.433 41.423 42.059 -0.338 0.000 0.890 596 L HN 0.167 nan 8.230 nan 0.000 0.434 597 M N -0.756 118.816 119.600 -0.048 0.000 2.296 597 M HA -0.148 4.333 4.480 0.002 0.000 0.265 597 M C 2.137 178.407 176.300 -0.050 0.000 1.064 597 M CA 1.593 56.866 55.300 -0.044 0.000 1.109 597 M CB -0.517 32.074 32.600 -0.015 0.000 1.396 597 M HN 0.491 nan 8.290 nan 0.000 0.430 598 E N -1.478 118.699 120.200 -0.039 0.000 2.158 598 E HA -0.128 4.223 4.350 0.002 0.000 0.191 598 E C 1.369 177.915 176.600 -0.089 0.000 0.982 598 E CA 1.481 57.855 56.400 -0.044 0.000 0.823 598 E CB 0.107 29.798 29.700 -0.015 0.000 0.766 598 E HN 0.497 nan 8.360 nan 0.000 0.468 599 T N 1.628 116.102 114.554 -0.133 0.000 2.732 599 T HA -0.086 4.265 4.350 0.002 0.000 0.261 599 T C 1.999 176.544 174.700 -0.258 0.000 1.040 599 T CA 0.874 62.832 62.100 -0.237 0.000 1.145 599 T CB -0.285 68.323 68.868 -0.434 0.000 0.866 599 T HN 0.115 nan 8.240 nan 0.000 0.427 600 L N 0.581 121.666 121.223 -0.230 0.000 2.010 600 L HA -0.234 4.107 4.340 0.002 0.000 0.219 600 L C 2.978 179.733 176.870 -0.193 0.000 1.077 600 L CA 1.669 56.365 54.840 -0.241 0.000 0.773 600 L CB -0.456 41.514 42.059 -0.150 0.000 0.892 600 L HN 0.180 nan 8.230 nan 0.000 0.436 601 R N -0.953 119.470 120.500 -0.130 0.000 2.096 601 R HA -0.124 4.217 4.340 0.002 0.000 0.235 601 R C 2.148 178.380 176.300 -0.112 0.000 1.127 601 R CA 1.860 57.902 56.100 -0.097 0.000 0.968 601 R CB -0.514 29.751 30.300 -0.057 0.000 0.861 601 R HN 0.424 nan 8.270 nan 0.000 0.440 602 T N 1.268 115.746 114.554 -0.126 0.000 2.995 602 T HA -0.011 4.340 4.350 0.002 0.000 0.269 602 T C 1.832 176.446 174.700 -0.145 0.000 1.091 602 T CA 0.709 62.738 62.100 -0.119 0.000 1.128 602 T CB 0.030 68.833 68.868 -0.107 0.000 0.891 602 T HN 0.146 nan 8.240 nan 0.000 0.492 603 L N 0.354 121.458 121.223 -0.199 0.000 2.127 603 L HA 0.112 4.453 4.340 0.002 0.000 0.203 603 L C 2.938 179.694 176.870 -0.190 0.000 1.080 603 L CA 0.811 55.513 54.840 -0.229 0.000 0.768 603 L CB -0.428 41.409 42.059 -0.370 0.000 0.924 603 L HN 0.103 nan 8.230 nan 0.000 0.444 604 R N 1.042 121.437 120.500 -0.176 0.000 2.073 604 R HA -0.146 4.195 4.340 0.002 0.000 0.234 604 R C 2.226 178.447 176.300 -0.132 0.000 1.134 604 R CA 1.453 57.468 56.100 -0.142 0.000 0.952 604 R CB -0.082 30.146 30.300 -0.120 0.000 0.850 604 R HN 0.292 nan 8.270 nan 0.000 0.433 605 R N 0.068 120.493 120.500 -0.125 0.000 2.280 605 R HA -0.027 4.315 4.340 0.002 0.000 0.207 605 R C 2.116 178.344 176.300 -0.120 0.000 1.043 605 R CA 0.748 56.773 56.100 -0.125 0.000 1.006 605 R CB -0.002 30.235 30.300 -0.105 0.000 0.885 605 R HN 0.189 nan 8.270 nan 0.000 0.467 606 K N -0.553 119.778 120.400 -0.115 0.000 2.243 606 K HA -0.027 4.294 4.320 0.002 0.000 0.201 606 K C 1.043 177.583 176.600 -0.100 0.000 1.051 606 K CA 1.043 57.270 56.287 -0.099 0.000 0.970 606 K CB 0.429 32.872 32.500 -0.094 0.000 0.755 606 K HN 0.301 nan 8.250 nan 0.000 0.465 607 G N 0.800 109.533 108.800 -0.111 0.000 2.339 607 G HA2 -0.210 3.751 3.960 0.002 0.000 0.209 607 G HA3 -0.210 3.751 3.960 0.002 0.000 0.209 607 G C 0.426 175.269 174.900 -0.096 0.000 1.015 607 G CA 0.262 45.303 45.100 -0.099 0.000 0.635 607 G HN 0.321 nan 8.290 nan 0.000 0.499 608 D N 0.686 121.022 120.400 -0.106 0.000 2.393 608 D HA 0.061 4.702 4.640 0.002 0.000 0.220 608 D C 1.031 177.244 176.300 -0.145 0.000 0.974 608 D CA 1.012 54.942 54.000 -0.115 0.000 0.931 608 D CB 0.252 40.977 40.800 -0.125 0.000 0.889 608 D HN 0.547 nan 8.370 nan 0.000 0.512 609 I N 0.617 121.097 120.570 -0.151 0.000 2.533 609 I HA 0.058 4.229 4.170 0.002 0.000 0.290 609 I C 0.088 176.139 176.117 -0.110 0.000 1.056 609 I CA -0.966 60.243 61.300 -0.151 0.000 1.057 609 I CB 1.986 39.868 38.000 -0.195 0.000 1.240 609 I HN -0.264 nan 8.210 nan 0.000 0.423 610 N N 8.013 126.661 118.700 -0.086 0.000 2.301 610 N HA -0.022 4.719 4.740 0.002 0.000 0.267 610 N C -1.789 173.689 175.510 -0.054 0.000 1.304 610 N CA -0.662 52.352 53.050 -0.061 0.000 0.851 610 N CB 1.228 39.682 38.487 -0.055 0.000 1.070 610 N HN 0.298 nan 8.380 nan 0.000 0.483 611 P HA -0.190 nan 4.420 nan 0.000 0.218 611 P C 0.651 177.972 177.300 0.036 0.000 1.146 611 P CA 1.437 64.529 63.100 -0.014 0.000 0.820 611 P CB 0.145 31.849 31.700 0.006 0.000 0.778 612 E N -1.287 118.903 120.200 -0.017 0.000 2.489 612 E HA 0.047 4.398 4.350 0.002 0.000 0.193 612 E C -0.005 176.469 176.600 -0.211 0.000 1.057 612 E CA 0.011 56.266 56.400 -0.241 0.000 0.866 612 E CB -0.239 29.321 29.700 -0.234 0.000 0.916 612 E HN -0.072 nan 8.360 nan 0.000 0.500 613 V N 2.504 122.355 119.914 -0.105 0.000 2.555 613 V HA 0.115 4.236 4.120 0.002 0.000 0.286 613 V C 0.330 176.397 176.094 -0.046 0.000 1.044 613 V CA -0.084 62.181 62.300 -0.059 0.000 1.026 613 V CB 1.079 32.872 31.823 -0.049 0.000 0.981 613 V HN 0.379 nan 8.190 nan 0.000 0.480 614 S N 5.722 121.427 115.700 0.008 0.000 2.472 614 S HA 0.844 5.315 4.470 0.002 0.000 0.303 614 S C -0.799 173.850 174.600 0.082 0.000 1.099 614 S CA -0.896 57.324 58.200 0.033 0.000 1.077 614 S CB 1.467 64.689 63.200 0.037 0.000 1.031 614 S HN 0.578 nan 8.310 nan 0.000 0.487 615 M N 3.079 122.713 119.600 0.056 0.000 2.151 615 M HA 0.441 4.922 4.480 0.002 0.000 0.290 615 M C -1.695 174.641 176.300 0.060 0.000 0.965 615 M CA -0.404 54.925 55.300 0.050 0.000 0.930 615 M CB 1.477 34.080 32.600 0.006 0.000 1.560 615 M HN 0.546 nan 8.290 nan 0.000 0.438 616 I N 2.983 123.600 120.570 0.078 0.000 2.428 616 I HA 0.394 4.565 4.170 0.002 0.000 0.279 616 I C -0.018 176.132 176.117 0.056 0.000 1.040 616 I CA -0.283 61.060 61.300 0.073 0.000 1.171 616 I CB 0.961 39.017 38.000 0.093 0.000 1.312 616 I HN 0.619 nan 8.210 nan 0.000 0.470 617 R N 4.414 124.941 120.500 0.045 0.000 2.216 617 R HA 0.179 4.520 4.340 0.002 0.000 0.332 617 R C -0.746 175.577 176.300 0.040 0.000 1.056 617 R CA -0.291 55.832 56.100 0.039 0.000 0.901 617 R CB 0.658 30.977 30.300 0.031 0.000 1.039 617 R HN 0.513 nan 8.270 nan 0.000 0.456 618 D N 6.731 127.154 120.400 0.038 0.000 2.467 618 D HA 0.074 4.715 4.640 0.002 0.000 0.220 618 D C 1.618 177.939 176.300 0.035 0.000 1.103 618 D CA -0.365 53.656 54.000 0.034 0.000 0.886 618 D CB 0.766 41.583 40.800 0.028 0.000 1.025 618 D HN 0.510 nan 8.370 nan 0.000 0.514 619 I N 2.846 123.436 120.570 0.033 0.000 2.127 619 I HA -0.258 3.913 4.170 0.002 0.000 0.241 619 I C 2.096 178.234 176.117 0.034 0.000 1.075 619 I CA 1.109 62.429 61.300 0.034 0.000 1.334 619 I CB -0.431 37.587 38.000 0.029 0.000 1.040 619 I HN 0.293 nan 8.210 nan 0.000 0.405 620 R N 0.308 120.825 120.500 0.029 0.000 2.236 620 R HA -0.104 4.237 4.340 0.002 0.000 0.208 620 R C 1.715 178.034 176.300 0.032 0.000 1.036 620 R CA 0.458 56.574 56.100 0.028 0.000 1.001 620 R CB -0.083 30.229 30.300 0.020 0.000 0.896 620 R HN 0.190 nan 8.270 nan 0.000 0.464 621 E N 0.665 120.885 120.200 0.033 0.000 2.463 621 E HA 0.058 4.409 4.350 0.002 0.000 0.193 621 E C -0.553 176.081 176.600 0.057 0.000 1.041 621 E CA 0.038 56.461 56.400 0.038 0.000 0.879 621 E CB 0.067 29.783 29.700 0.026 0.000 0.997 621 E HN -0.040 nan 8.360 nan 0.000 0.478 622 K N 0.768 121.200 120.400 0.054 0.000 3.278 622 K HA -0.245 4.076 4.320 0.002 0.000 0.270 622 K C -0.774 175.860 176.600 0.056 0.000 0.955 622 K CA 0.812 57.134 56.287 0.058 0.000 0.723 622 K CB -1.046 31.494 32.500 0.068 0.000 1.382 622 K HN 0.217 nan 8.250 nan 0.000 0.461 623 E N 0.211 120.445 120.200 0.056 0.000 2.314 623 E HA 0.502 4.853 4.350 0.002 0.000 0.272 623 E C -1.625 175.013 176.600 0.065 0.000 0.884 623 E CA -1.023 55.419 56.400 0.070 0.000 0.753 623 E CB 1.594 31.338 29.700 0.074 0.000 1.213 623 E HN 0.104 nan 8.360 nan 0.000 0.432 624 L N 2.847 124.119 121.223 0.082 0.000 2.406 624 L HA 0.492 4.833 4.340 0.002 0.000 0.270 624 L C -1.716 175.207 176.870 0.088 0.000 0.982 624 L CA -0.467 54.410 54.840 0.063 0.000 0.843 624 L CB 1.064 43.140 42.059 0.029 0.000 1.225 624 L HN 0.388 nan 8.230 nan 0.000 0.412 625 K N 6.657 127.096 120.400 0.065 0.000 2.323 625 K HA 0.693 5.014 4.320 0.002 0.000 0.259 625 K C -1.119 175.478 176.600 -0.004 0.000 0.947 625 K CA -0.459 55.843 56.287 0.026 0.000 0.819 625 K CB 2.174 34.677 32.500 0.004 0.000 1.109 625 K HN 0.567 nan 8.250 nan 0.000 0.429 626 I N 2.805 123.310 120.570 -0.108 0.000 2.433 626 I HA 0.414 4.585 4.170 0.002 0.000 0.292 626 I C -0.833 175.130 176.117 -0.257 0.000 1.001 626 I CA -0.842 60.409 61.300 -0.082 0.000 1.119 626 I CB 1.007 38.982 38.000 -0.042 0.000 1.289 626 I HN 0.403 nan 8.210 nan 0.000 0.438 627 F N 2.992 122.941 119.950 -0.002 0.000 2.477 627 F HA 0.320 4.849 4.527 0.002 0.000 0.335 627 F C 0.844 176.627 175.800 -0.029 0.000 1.130 627 F CA -0.351 57.642 58.000 -0.011 0.000 0.948 627 F CB 2.159 41.143 39.000 -0.026 0.000 1.154 627 F HN 0.395 nan 8.300 nan 0.000 0.439 628 T N -0.057 114.577 114.554 0.133 0.000 3.054 628 T HA -0.002 4.349 4.350 0.002 0.000 0.255 628 T C 0.216 174.964 174.700 0.079 0.000 1.035 628 T CA -0.287 61.854 62.100 0.069 0.000 0.941 628 T CB -0.209 68.669 68.868 0.017 0.000 1.026 628 T HN 0.465 nan 8.240 nan 0.000 0.533 629 D N 2.546 123.041 120.400 0.158 0.000 2.730 629 D HA 0.079 4.720 4.640 0.002 0.000 0.225 629 D C 0.385 176.716 176.300 0.052 0.000 1.107 629 D CA 0.362 54.436 54.000 0.125 0.000 0.837 629 D CB 0.618 41.542 40.800 0.206 0.000 1.171 629 D HN 0.381 nan 8.370 nan 0.000 0.498 630 A N 2.034 124.870 122.820 0.027 0.000 2.332 630 A HA 0.538 4.859 4.320 0.002 0.000 0.258 630 A C 1.332 178.915 177.584 -0.003 0.000 1.087 630 A CA 0.331 52.375 52.037 0.011 0.000 0.802 630 A CB 0.695 19.700 19.000 0.008 0.000 1.042 630 A HN 0.964 nan 8.150 nan 0.000 0.489 631 G N 0.024 108.822 108.800 -0.004 0.000 2.143 631 G HA2 -0.219 3.742 3.960 0.002 0.000 0.249 631 G HA3 -0.219 3.742 3.960 0.002 0.000 0.249 631 G C 0.251 175.114 174.900 -0.062 0.000 0.981 631 G CA 0.494 45.577 45.100 -0.029 0.000 0.665 631 G HN 0.869 nan 8.290 nan 0.000 0.528 632 R N -0.016 120.460 120.500 -0.040 0.000 2.265 632 R HA 0.479 4.820 4.340 0.002 0.000 0.314 632 R C 0.517 176.822 176.300 0.008 0.000 1.053 632 R CA -0.537 55.518 56.100 -0.075 0.000 0.931 632 R CB 1.482 31.742 30.300 -0.065 0.000 1.024 632 R HN 0.113 nan 8.270 nan 0.000 0.457 633 V N 4.986 124.850 119.914 -0.084 0.000 2.614 633 V HA 0.237 4.358 4.120 0.002 0.000 0.291 633 V C -0.314 175.844 176.094 0.107 0.000 1.049 633 V CA -0.226 62.061 62.300 -0.021 0.000 1.038 633 V CB 0.035 31.860 31.823 0.002 0.000 0.980 633 V HN 0.739 nan 8.190 nan 0.000 0.481 634 Y N 2.727 122.994 120.300 -0.055 0.000 2.625 634 Y HA 0.891 5.442 4.550 0.002 0.000 0.338 634 Y C -0.580 175.284 175.900 -0.060 0.000 1.123 634 Y CA -1.755 56.318 58.100 -0.045 0.000 1.046 634 Y CB 1.660 40.080 38.460 -0.067 0.000 1.299 634 Y HN 0.687 nan 8.280 nan 0.000 0.464 635 R N 0.756 121.354 120.500 0.163 0.000 2.771 635 R HA 0.711 5.052 4.340 0.002 0.000 0.274 635 R C -3.447 172.998 176.300 0.242 0.000 0.987 635 R CA -2.054 54.077 56.100 0.052 0.000 0.908 635 R CB 2.742 33.028 30.300 -0.022 0.000 1.213 635 R HN 0.468 nan 8.270 nan 0.000 0.468 636 P HA 0.337 nan 4.420 nan 0.000 0.286 636 P C -1.230 176.135 177.300 0.109 0.000 1.261 636 P CA -0.562 62.778 63.100 0.399 0.000 0.821 636 P CB 1.286 33.346 31.700 0.599 0.000 1.013 637 L N -0.678 120.576 121.223 0.052 0.000 2.568 637 L HA 0.569 4.910 4.340 0.002 0.000 0.257 637 L C -0.291 176.558 176.870 -0.036 0.000 1.024 637 L CA -1.331 53.471 54.840 -0.063 0.000 0.854 637 L CB -0.069 41.995 42.059 0.007 0.000 1.460 637 L HN 0.119 nan 8.230 nan 0.000 0.409 638 F N 0.964 120.957 119.950 0.071 0.000 2.553 638 F HA 0.350 4.879 4.527 0.002 0.000 0.356 638 F C 0.641 176.476 175.800 0.059 0.000 1.142 638 F CA 0.266 58.282 58.000 0.026 0.000 1.322 638 F CB 0.489 39.488 39.000 -0.002 0.000 1.126 638 F HN 0.311 nan 8.300 nan 0.000 0.599 639 I N 3.277 123.975 120.570 0.214 0.000 2.312 639 I HA 0.173 4.344 4.170 0.002 0.000 0.290 639 I C -0.676 175.438 176.117 -0.005 0.000 1.008 639 I CA -0.494 60.845 61.300 0.065 0.000 1.226 639 I CB 0.996 39.003 38.000 0.011 0.000 1.371 639 I HN 0.182 nan 8.210 nan 0.000 0.468 640 V N 6.228 126.104 119.914 -0.063 0.000 2.498 640 V HA 0.312 4.433 4.120 0.002 0.000 0.279 640 V C 0.005 176.053 176.094 -0.077 0.000 1.048 640 V CA -0.168 62.099 62.300 -0.056 0.000 0.967 640 V CB 1.351 33.169 31.823 -0.009 0.000 0.988 640 V HN 0.604 nan 8.190 nan 0.000 0.473 641 E N 2.245 122.407 120.200 -0.063 0.000 2.314 641 E HA 0.282 4.633 4.350 0.002 0.000 0.272 641 E C -0.879 175.681 176.600 -0.066 0.000 0.884 641 E CA -0.711 55.652 56.400 -0.062 0.000 0.753 641 E CB 1.558 31.224 29.700 -0.056 0.000 1.213 641 E HN 0.646 nan 8.360 nan 0.000 0.432 642 D N 2.224 122.593 120.400 -0.053 0.000 2.502 642 D HA 0.039 4.680 4.640 0.002 0.000 0.249 642 D C -0.832 175.432 176.300 -0.060 0.000 1.188 642 D CA 0.996 54.965 54.000 -0.052 0.000 0.890 642 D CB 0.464 41.250 40.800 -0.024 0.000 1.140 642 D HN 0.340 nan 8.370 nan 0.000 0.505 643 D N 2.145 122.484 120.400 -0.102 0.000 2.570 643 D HA 0.316 4.957 4.640 0.002 0.000 0.244 643 D C 0.517 176.788 176.300 -0.047 0.000 1.178 643 D CA -0.362 53.590 54.000 -0.081 0.000 0.881 643 D CB 1.318 42.057 40.800 -0.101 0.000 1.453 643 D HN 0.347 nan 8.370 nan 0.000 0.447 644 E N 0.075 120.283 120.200 0.014 0.000 3.912 644 E HA -0.188 4.163 4.350 0.002 0.000 0.184 644 E C -0.986 175.675 176.600 0.103 0.000 1.133 644 E CA 1.581 58.031 56.400 0.082 0.000 2.423 644 E CB -1.605 28.206 29.700 0.185 0.000 1.736 644 E HN 0.333 nan 8.360 nan 0.000 0.453 645 S N -1.421 114.383 115.700 0.173 0.000 2.632 645 S HA 0.576 5.047 4.470 0.002 0.000 0.289 645 S C -0.336 174.341 174.600 0.129 0.000 1.115 645 S CA -0.197 58.076 58.200 0.121 0.000 0.889 645 S CB 1.168 64.423 63.200 0.092 0.000 1.116 645 S HN 0.422 nan 8.310 nan 0.000 0.486 646 L N 3.277 124.546 121.223 0.076 0.000 3.163 646 L HA 0.158 4.499 4.340 0.002 0.000 0.261 646 L C 1.602 178.521 176.870 0.081 0.000 1.313 646 L CA 0.075 54.952 54.840 0.062 0.000 1.111 646 L CB -1.143 40.938 42.059 0.036 0.000 1.511 646 L HN 0.945 nan 8.230 nan 0.000 0.419 647 G N -0.369 108.526 108.800 0.158 0.000 2.813 647 G HA2 -0.202 3.760 3.960 0.002 0.000 0.208 647 G HA3 -0.202 3.760 3.960 0.002 0.000 0.208 647 G C 0.186 175.181 174.900 0.159 0.000 1.395 647 G CA 0.424 45.651 45.100 0.211 0.000 0.849 647 G HN 0.669 nan 8.290 nan 0.000 0.617 648 H N -0.854 118.223 119.070 0.012 0.000 6.143 648 H HA 0.072 4.629 4.556 0.002 0.000 0.878 648 H C -1.277 174.069 175.328 0.030 0.000 1.987 648 H CA -0.580 55.482 56.048 0.023 0.000 1.434 648 H CB -0.494 29.279 29.762 0.017 0.000 4.561 648 H HN 0.199 nan 8.280 nan 0.000 0.666 649 K N 2.473 122.807 120.400 -0.110 0.000 2.118 649 K HA 0.414 4.735 4.320 0.002 0.000 0.267 649 K C -0.201 176.279 176.600 -0.199 0.000 0.991 649 K CA -0.295 55.920 56.287 -0.120 0.000 0.916 649 K CB 1.547 34.074 32.500 0.044 0.000 1.041 649 K HN 0.510 nan 8.250 nan 0.000 0.455 650 E N 0.988 121.085 120.200 -0.173 0.000 2.336 650 E HA 0.386 4.737 4.350 0.002 0.000 0.267 650 E C -0.855 175.686 176.600 -0.099 0.000 0.906 650 E CA -0.671 55.647 56.400 -0.135 0.000 0.781 650 E CB 0.996 30.608 29.700 -0.146 0.000 1.261 650 E HN 0.334 nan 8.360 nan 0.000 0.436 651 L N 2.780 123.935 121.223 -0.113 0.000 2.499 651 L HA 0.062 4.403 4.340 0.002 0.000 0.281 651 L C 1.373 178.188 176.870 -0.092 0.000 1.234 651 L CA 0.468 55.230 54.840 -0.131 0.000 0.839 651 L CB 0.323 42.238 42.059 -0.240 0.000 1.104 651 L HN 0.653 nan 8.230 nan 0.000 0.500 652 K N 0.996 121.356 120.400 -0.066 0.000 2.202 652 K HA 0.054 4.375 4.320 0.002 0.000 0.201 652 K C 0.275 176.899 176.600 0.040 0.000 1.051 652 K CA 0.156 56.433 56.287 -0.017 0.000 0.977 652 K CB 0.351 32.839 32.500 -0.021 0.000 0.792 652 K HN 0.568 nan 8.250 nan 0.000 0.469 653 V N 1.819 121.725 119.914 -0.015 0.000 2.673 653 V HA 0.119 4.240 4.120 0.002 0.000 0.303 653 V C 0.221 176.385 176.094 0.116 0.000 1.046 653 V CA -0.376 61.977 62.300 0.089 0.000 1.126 653 V CB 0.477 32.267 31.823 -0.055 0.000 0.934 653 V HN 0.125 nan 8.190 nan 0.000 0.487 654 R N 2.749 123.400 120.500 0.253 0.000 3.018 654 R HA 0.500 4.841 4.340 0.002 0.000 0.243 654 R C 1.044 177.337 176.300 -0.013 0.000 1.315 654 R CA -1.022 55.088 56.100 0.017 0.000 1.039 654 R CB 0.622 30.870 30.300 -0.087 0.000 1.315 654 R HN 0.692 nan 8.270 nan 0.000 0.492 655 K N 0.596 120.967 120.400 -0.049 0.000 2.057 655 K HA -0.084 4.238 4.320 0.002 0.000 0.206 655 K C 1.822 178.386 176.600 -0.060 0.000 1.050 655 K CA 1.820 58.086 56.287 -0.034 0.000 0.935 655 K CB -0.563 31.919 32.500 -0.031 0.000 0.715 655 K HN 0.737 nan 8.250 nan 0.000 0.439 656 G N 1.215 109.935 108.800 -0.134 0.000 2.547 656 G HA2 -0.295 3.666 3.960 0.002 0.000 0.221 656 G HA3 -0.295 3.666 3.960 0.002 0.000 0.221 656 G C 1.300 176.067 174.900 -0.222 0.000 1.140 656 G CA 1.178 46.154 45.100 -0.207 0.000 0.760 656 G HN 0.379 nan 8.290 nan 0.000 0.583 657 H N -0.033 118.977 119.070 -0.100 0.000 2.326 657 H HA 0.007 4.564 4.556 0.002 0.000 0.301 657 H C 2.771 178.037 175.328 -0.103 0.000 1.081 657 H CA 1.026 56.992 56.048 -0.138 0.000 1.334 657 H CB -0.298 29.455 29.762 -0.015 0.000 1.385 657 H HN 0.228 nan 8.280 nan 0.000 0.504 658 I N 1.234 121.869 120.570 0.108 0.000 2.264 658 I HA -0.181 3.991 4.170 0.002 0.000 0.248 658 I C 2.657 178.811 176.117 0.062 0.000 1.111 658 I CA 1.015 62.382 61.300 0.111 0.000 1.382 658 I CB -1.122 36.941 38.000 0.105 0.000 1.060 658 I HN 0.146 nan 8.210 nan 0.000 0.418 659 A N -0.018 122.802 122.820 0.001 0.000 1.933 659 A HA -0.224 4.097 4.320 0.002 0.000 0.218 659 A C 2.341 179.911 177.584 -0.023 0.000 1.175 659 A CA 1.595 53.624 52.037 -0.014 0.000 0.628 659 A CB -0.503 18.471 19.000 -0.042 0.000 0.814 659 A HN 0.372 nan 8.150 nan 0.000 0.444 660 K N -0.556 119.781 120.400 -0.105 0.000 2.211 660 K HA 0.070 4.391 4.320 0.002 0.000 0.203 660 K C 1.715 178.322 176.600 0.011 0.000 1.050 660 K CA 0.869 57.066 56.287 -0.151 0.000 0.945 660 K CB -0.253 31.928 32.500 -0.532 0.000 0.732 660 K HN 0.456 nan 8.250 nan 0.000 0.451 661 L N 0.094 121.372 121.223 0.091 0.000 2.044 661 L HA -0.105 4.236 4.340 0.002 0.000 0.205 661 L C 2.384 179.380 176.870 0.210 0.000 1.075 661 L CA 1.206 56.199 54.840 0.256 0.000 0.747 661 L CB -0.190 42.046 42.059 0.294 0.000 0.903 661 L HN 0.179 nan 8.230 nan 0.000 0.435 662 M N -0.959 118.738 119.600 0.162 0.000 2.319 662 M HA -0.116 4.365 4.480 0.002 0.000 0.265 662 M C 2.428 178.824 176.300 0.159 0.000 1.068 662 M CA 1.318 56.714 55.300 0.160 0.000 1.118 662 M CB -0.333 32.341 32.600 0.123 0.000 1.395 662 M HN 0.312 nan 8.290 nan 0.000 0.435 663 A N -0.052 122.841 122.820 0.121 0.000 1.917 663 A HA -0.201 4.120 4.320 0.002 0.000 0.219 663 A C 2.176 179.889 177.584 0.215 0.000 1.182 663 A CA 2.498 54.622 52.037 0.145 0.000 0.633 663 A CB -1.161 17.894 19.000 0.091 0.000 0.819 663 A HN 0.446 nan 8.150 nan 0.000 0.448 664 T N -1.147 113.526 114.554 0.198 0.000 2.896 664 T HA -0.055 4.296 4.350 0.002 0.000 0.263 664 T C 1.854 176.665 174.700 0.184 0.000 1.050 664 T CA 1.202 63.417 62.100 0.193 0.000 1.140 664 T CB -0.104 68.892 68.868 0.213 0.000 0.877 664 T HN 0.693 nan 8.240 nan 0.000 0.457 665 E N 0.284 120.607 120.200 0.206 0.000 2.017 665 E HA -0.187 4.164 4.350 0.002 0.000 0.193 665 E C 2.061 178.773 176.600 0.187 0.000 0.997 665 E CA 1.236 57.752 56.400 0.194 0.000 0.804 665 E CB -0.282 29.545 29.700 0.212 0.000 0.757 665 E HN 0.658 nan 8.360 nan 0.000 0.448 666 Y N 1.205 121.555 120.300 0.084 0.000 2.165 666 Y HA -0.179 4.372 4.550 0.002 0.000 0.286 666 Y C 1.572 177.505 175.900 0.054 0.000 1.155 666 Y CA 1.536 59.674 58.100 0.063 0.000 1.164 666 Y CB -0.049 38.445 38.460 0.057 0.000 0.978 666 Y HN 0.016 nan 8.280 nan 0.000 0.513 667 Q N 2.224 122.001 119.800 -0.039 0.000 3.181 667 Q HA 0.141 4.482 4.340 0.002 0.000 0.293 667 Q C -1.441 174.528 176.000 -0.051 0.000 1.406 667 Q CA 0.260 55.974 55.803 -0.148 0.000 1.026 667 Q CB -0.452 28.319 28.738 0.056 0.000 1.630 667 Q HN 0.653 nan 8.270 nan 0.000 0.553 679 Y N 2.514 122.861 120.300 0.078 0.000 2.326 679 Y HA 0.638 5.189 4.550 0.002 0.000 0.331 679 Y C -0.751 175.209 175.900 0.100 0.000 0.962 679 Y CA 0.269 58.417 58.100 0.080 0.000 1.167 679 Y CB 1.511 40.024 38.460 0.088 0.000 1.148 679 Y HN 0.276 nan 8.280 nan 0.000 0.463 680 T N 1.306 115.748 114.554 -0.186 0.000 2.864 680 T HA 0.101 4.452 4.350 0.002 0.000 0.289 680 T C 0.625 175.313 174.700 -0.020 0.000 1.082 680 T CA -0.781 61.320 62.100 0.003 0.000 1.009 680 T CB 0.803 69.687 68.868 0.026 0.000 1.234 680 T HN 0.883 nan 8.240 nan 0.000 0.526 681 W N 0.858 122.121 121.300 -0.060 0.000 2.290 681 W HA -0.250 4.412 4.660 0.002 0.000 0.311 681 W C 1.867 178.315 176.519 -0.118 0.000 1.238 681 W CA 2.123 59.435 57.345 -0.056 0.000 1.255 681 W CB -0.620 28.812 29.460 -0.046 0.000 1.145 681 W HN 0.685 nan 8.180 nan 0.000 0.506 682 S N 0.263 115.944 115.700 -0.032 0.000 2.383 682 S HA -0.164 4.308 4.470 0.002 0.000 0.227 682 S C 1.921 176.351 174.600 -0.284 0.000 1.026 682 S CA 1.520 59.633 58.200 -0.146 0.000 0.981 682 S CB -0.380 62.795 63.200 -0.042 0.000 0.818 682 S HN 0.233 nan 8.310 nan 0.000 0.472 683 S N 1.860 117.340 115.700 -0.368 0.000 2.359 683 S HA -0.072 4.399 4.470 0.002 0.000 0.224 683 S C 1.790 176.097 174.600 -0.488 0.000 1.035 683 S CA 1.199 59.068 58.200 -0.553 0.000 1.018 683 S CB -0.522 61.957 63.200 -1.202 0.000 0.876 683 S HN 0.406 nan 8.310 nan 0.000 0.448 684 L N 0.495 121.422 121.223 -0.492 0.000 2.042 684 L HA -0.127 4.214 4.340 0.002 0.000 0.210 684 L C 2.391 178.976 176.870 -0.475 0.000 1.076 684 L CA 0.854 55.444 54.840 -0.417 0.000 0.749 684 L CB -0.534 41.250 42.059 -0.458 0.000 0.893 684 L HN 0.254 nan 8.230 nan 0.000 0.432 685 L N 0.062 120.924 121.223 -0.601 0.000 2.141 685 L HA -0.149 4.192 4.340 0.002 0.000 0.209 685 L C 2.127 178.798 176.870 -0.332 0.000 1.094 685 L CA 1.652 56.174 54.840 -0.531 0.000 0.763 685 L CB -0.594 41.133 42.059 -0.553 0.000 0.908 685 L HN 0.275 nan 8.230 nan 0.000 0.437 686 N N -0.429 118.109 118.700 -0.270 0.000 2.415 686 N HA -0.048 4.693 4.740 0.002 0.000 0.176 686 N C 0.840 176.260 175.510 -0.151 0.000 1.042 686 N CA 0.619 53.559 53.050 -0.183 0.000 0.902 686 N CB 0.049 38.446 38.487 -0.150 0.000 0.986 686 N HN 0.492 nan 8.380 nan 0.000 0.447 687 E N -0.001 120.101 120.200 -0.164 0.000 2.394 687 E HA 0.229 4.580 4.350 0.002 0.000 0.191 687 E C 0.442 176.968 176.600 -0.124 0.000 1.044 687 E CA -0.270 56.063 56.400 -0.112 0.000 0.939 687 E CB 0.000 29.654 29.700 -0.078 0.000 1.089 687 E HN 0.207 nan 8.360 nan 0.000 0.456 688 G N 1.540 110.250 108.800 -0.151 0.000 2.296 688 G HA2 -0.307 3.654 3.960 0.002 0.000 0.282 688 G HA3 -0.307 3.654 3.960 0.002 0.000 0.282 688 G C 0.739 175.563 174.900 -0.126 0.000 1.014 688 G CA 0.464 45.483 45.100 -0.135 0.000 0.812 688 G HN 0.383 nan 8.290 nan 0.000 0.508 689 L N -1.831 119.291 121.223 -0.169 0.000 2.446 689 L HA 0.315 4.656 4.340 0.002 0.000 0.219 689 L C 1.053 177.880 176.870 -0.073 0.000 1.116 689 L CA 0.348 55.108 54.840 -0.134 0.000 0.844 689 L CB 0.120 42.046 42.059 -0.222 0.000 0.970 689 L HN 0.210 nan 8.230 nan 0.000 0.457 690 V N -0.709 119.091 119.914 -0.191 0.000 3.007 690 V HA 0.397 4.518 4.120 0.002 0.000 0.311 690 V C -1.117 174.823 176.094 -0.256 0.000 1.120 690 V CA -0.678 61.482 62.300 -0.235 0.000 0.980 690 V CB 3.269 34.787 31.823 -0.508 0.000 1.033 690 V HN 0.063 nan 8.190 nan 0.000 0.429 691 E N 0.948 121.046 120.200 -0.171 0.000 2.367 691 E HA 0.535 4.886 4.350 0.002 0.000 0.273 691 E C -1.916 174.646 176.600 -0.064 0.000 0.903 691 E CA -0.618 55.695 56.400 -0.146 0.000 0.764 691 E CB 2.411 32.129 29.700 0.030 0.000 1.252 691 E HN 0.633 nan 8.360 nan 0.000 0.446 692 Y N 2.164 122.482 120.300 0.031 0.000 2.352 692 Y HA 0.486 5.037 4.550 0.002 0.000 0.326 692 Y C 0.161 176.057 175.900 -0.007 0.000 1.166 692 Y CA -1.013 57.128 58.100 0.068 0.000 1.182 692 Y CB 1.172 39.614 38.460 -0.030 0.000 1.216 692 Y HN 0.227 nan 8.280 nan 0.000 0.474 693 I N 3.294 124.008 120.570 0.241 0.000 2.607 693 I HA 0.145 4.317 4.170 0.002 0.000 0.290 693 I C -1.224 174.984 176.117 0.152 0.000 1.129 693 I CA -0.813 60.548 61.300 0.102 0.000 1.042 693 I CB 1.952 39.955 38.000 0.005 0.000 1.242 693 I HN 0.669 nan 8.210 nan 0.000 0.421 694 D N 4.389 124.846 120.400 0.096 0.000 2.272 694 D HA 0.469 5.111 4.640 0.002 0.000 0.247 694 D C 0.874 177.227 176.300 0.089 0.000 0.990 694 D CA -0.605 53.458 54.000 0.105 0.000 0.931 694 D CB 1.808 42.632 40.800 0.041 0.000 1.195 694 D HN 0.489 nan 8.370 nan 0.000 0.477 695 A N 0.859 123.752 122.820 0.122 0.000 1.971 695 A HA -0.331 3.990 4.320 0.002 0.000 0.222 695 A C 1.932 179.626 177.584 0.183 0.000 1.182 695 A CA 2.410 54.550 52.037 0.171 0.000 0.649 695 A CB -0.901 18.236 19.000 0.229 0.000 0.818 695 A HN 0.700 nan 8.150 nan 0.000 0.458 696 E N -0.305 119.951 120.200 0.094 0.000 2.038 696 E HA -0.208 4.143 4.350 0.002 0.000 0.195 696 E C 1.999 178.631 176.600 0.053 0.000 1.000 696 E CA 1.807 58.226 56.400 0.032 0.000 0.803 696 E CB -0.293 29.346 29.700 -0.101 0.000 0.750 696 E HN 0.744 nan 8.360 nan 0.000 0.448 697 E N 0.052 120.280 120.200 0.047 0.000 2.106 697 E HA -0.219 4.133 4.350 0.002 0.000 0.192 697 E C 1.966 178.596 176.600 0.050 0.000 0.984 697 E CA 1.064 57.493 56.400 0.050 0.000 0.806 697 E CB -0.115 29.607 29.700 0.038 0.000 0.750 697 E HN 0.324 nan 8.360 nan 0.000 0.458 698 E N 0.281 120.513 120.200 0.054 0.000 2.187 698 E HA -0.256 4.095 4.350 0.002 0.000 0.199 698 E C 1.793 178.430 176.600 0.061 0.000 1.004 698 E CA 1.173 57.602 56.400 0.049 0.000 0.813 698 E CB 0.071 29.819 29.700 0.080 0.000 0.736 698 E HN 0.271 nan 8.360 nan 0.000 0.468 699 E N -0.285 119.966 120.200 0.085 0.000 2.219 699 E HA -0.152 4.199 4.350 0.002 0.000 0.198 699 E C 1.503 178.140 176.600 0.061 0.000 0.998 699 E CA 1.386 57.836 56.400 0.083 0.000 0.818 699 E CB 0.013 29.767 29.700 0.089 0.000 0.741 699 E HN 0.251 nan 8.360 nan 0.000 0.477 700 S N -0.279 115.460 115.700 0.064 0.000 2.664 700 S HA 0.285 4.756 4.470 0.002 0.000 0.245 700 S C 0.662 175.315 174.600 0.087 0.000 1.019 700 S CA -0.640 57.599 58.200 0.065 0.000 0.996 700 S CB -0.561 62.675 63.200 0.061 0.000 0.878 700 S HN 0.216 nan 8.310 nan 0.000 0.493 701 I N -2.319 118.314 120.570 0.105 0.000 2.934 701 I HA 0.760 4.931 4.170 0.002 0.000 0.306 701 I C -1.475 174.736 176.117 0.157 0.000 1.110 701 I CA -1.654 59.753 61.300 0.179 0.000 1.019 701 I CB 1.801 39.962 38.000 0.269 0.000 1.227 701 I HN -0.015 nan 8.210 nan 0.000 0.434 702 L N 5.133 126.475 121.223 0.198 0.000 2.298 702 L HA 0.600 4.941 4.340 0.002 0.000 0.284 702 L C -0.775 176.317 176.870 0.370 0.000 1.013 702 L CA -0.253 54.712 54.840 0.207 0.000 0.824 702 L CB 1.161 43.280 42.059 0.100 0.000 1.221 702 L HN 0.510 nan 8.230 nan 0.000 0.418 703 I N 4.626 125.367 120.570 0.284 0.000 2.377 703 I HA 0.572 4.743 4.170 0.002 0.000 0.293 703 I C 0.558 176.729 176.117 0.089 0.000 0.987 703 I CA -0.501 60.923 61.300 0.206 0.000 1.185 703 I CB 1.709 39.774 38.000 0.107 0.000 1.341 703 I HN 0.738 nan 8.210 nan 0.000 0.455 704 A N 5.056 127.735 122.820 -0.234 0.000 2.280 704 A HA 0.458 4.779 4.320 0.002 0.000 0.268 704 A C 0.570 178.019 177.584 -0.225 0.000 1.111 704 A CA -0.207 51.481 52.037 -0.581 0.000 0.814 704 A CB 0.682 19.052 19.000 -1.052 0.000 1.093 704 A HN 0.819 nan 8.150 nan 0.000 0.498 705 M N -1.831 117.639 119.600 -0.216 0.000 2.740 705 M HA 0.227 4.708 4.480 0.002 0.000 0.253 705 M C -0.183 176.045 176.300 -0.120 0.000 1.341 705 M CA 1.195 56.425 55.300 -0.117 0.000 1.176 705 M CB 0.375 32.907 32.600 -0.112 0.000 1.310 705 M HN 0.728 nan 8.290 nan 0.000 0.531 706 Q N -0.960 118.750 119.800 -0.150 0.000 2.309 706 Q HA 0.330 4.671 4.340 0.002 0.000 0.273 706 Q C -2.241 173.669 176.000 -0.150 0.000 1.040 706 Q CA -1.849 53.884 55.803 -0.115 0.000 0.834 706 Q CB 1.681 30.368 28.738 -0.086 0.000 1.345 706 Q HN -0.157 nan 8.270 nan 0.000 0.414 707 P HA -0.346 nan 4.420 nan 0.000 0.216 707 P C 0.754 177.976 177.300 -0.131 0.000 1.167 707 P CA 1.867 64.877 63.100 -0.150 0.000 0.914 707 P CB 0.294 31.911 31.700 -0.138 0.000 0.793 708 E N -0.462 119.689 120.200 -0.082 0.000 2.005 708 E HA -0.152 4.199 4.350 0.002 0.000 0.191 708 E C 1.232 177.792 176.600 -0.066 0.000 0.987 708 E CA 1.153 57.524 56.400 -0.049 0.000 0.814 708 E CB -1.411 28.286 29.700 -0.006 0.000 0.772 708 E HN 0.124 nan 8.360 nan 0.000 0.453 709 D N 0.432 120.802 120.400 -0.050 0.000 2.407 709 D HA 0.010 4.651 4.640 0.002 0.000 0.234 709 D C 0.819 177.035 176.300 -0.140 0.000 1.029 709 D CA 0.588 54.565 54.000 -0.039 0.000 0.937 709 D CB 0.183 40.982 40.800 -0.001 0.000 0.882 709 D HN 0.200 nan 8.370 nan 0.000 0.531 710 L N 0.477 121.555 121.223 -0.243 0.000 3.431 710 L HA 0.171 4.512 4.340 0.002 0.000 0.316 710 L C -0.462 176.170 176.870 -0.397 0.000 1.305 710 L CA 0.018 54.645 54.840 -0.355 0.000 0.995 710 L CB 0.503 42.363 42.059 -0.332 0.000 1.411 710 L HN 0.036 nan 8.230 nan 0.000 0.610 711 E N 0.053 120.015 120.200 -0.396 0.000 2.678 711 E HA 0.031 4.382 4.350 0.002 0.000 0.236 711 E C -2.848 173.738 176.600 -0.024 0.000 1.190 711 E CA -0.380 55.908 56.400 -0.186 0.000 0.507 711 E CB -0.070 29.619 29.700 -0.018 0.000 0.976 711 E HN 0.005 nan 8.360 nan 0.000 0.456 712 P HA 0.413 nan 4.420 nan 0.000 0.300 712 P C 0.363 177.763 177.300 0.166 0.000 1.349 712 P CA 1.018 64.190 63.100 0.120 0.000 1.054 712 P CB 1.286 33.047 31.700 0.102 0.000 1.548 713 A N -0.077 122.901 122.820 0.263 0.000 6.040 713 A HA 0.027 4.349 4.320 0.002 0.000 0.208 713 A C -1.328 176.313 177.584 0.096 0.000 2.496 713 A CA -0.383 51.756 52.037 0.170 0.000 0.689 713 A CB -1.491 17.557 19.000 0.081 0.000 0.760 713 A HN 0.046 nan 8.150 nan 0.000 0.329 714 E N -0.478 119.724 120.200 0.003 0.000 2.275 714 E HA 0.703 5.054 4.350 0.002 0.000 0.270 714 E C -0.124 176.460 176.600 -0.027 0.000 0.882 714 E CA 0.293 56.661 56.400 -0.054 0.000 0.758 714 E CB 1.809 31.441 29.700 -0.114 0.000 1.195 714 E HN 1.839 nan 8.360 nan 0.000 0.419 723 V N 0.446 120.377 119.914 0.028 0.000 2.713 723 V HA 0.708 4.829 4.120 0.002 0.000 0.307 723 V C -0.496 175.618 176.094 0.034 0.000 1.052 723 V CA -0.685 61.636 62.300 0.033 0.000 0.967 723 V CB 1.892 33.735 31.823 0.034 0.000 1.019 723 V HN 0.128 nan 8.190 nan 0.000 0.459 724 D N 4.180 124.603 120.400 0.039 0.000 2.295 724 D HA 0.426 5.067 4.640 0.002 0.000 0.248 724 D C -1.153 175.171 176.300 0.039 0.000 1.154 724 D CA -2.101 51.923 54.000 0.040 0.000 0.857 724 D CB 1.847 42.675 40.800 0.046 0.000 1.117 724 D HN 0.501 nan 8.370 nan 0.000 0.468 725 P HA -0.027 nan 4.420 nan 0.000 0.226 725 P C 0.745 178.066 177.300 0.035 0.000 1.153 725 P CA 0.394 63.514 63.100 0.032 0.000 0.777 725 P CB 0.313 32.029 31.700 0.027 0.000 0.794 726 A N 0.081 122.925 122.820 0.039 0.000 2.021 726 A HA -0.001 4.320 4.320 0.002 0.000 0.216 726 A C 1.273 178.888 177.584 0.052 0.000 1.163 726 A CA 0.442 52.504 52.037 0.042 0.000 0.676 726 A CB -0.510 18.515 19.000 0.041 0.000 0.818 726 A HN 0.137 nan 8.150 nan 0.000 0.453 727 K N 1.468 121.901 120.400 0.056 0.000 2.326 727 K HA 0.166 4.487 4.320 0.002 0.000 0.275 727 K C -0.089 176.547 176.600 0.061 0.000 1.018 727 K CA -0.426 55.901 56.287 0.067 0.000 0.962 727 K CB 0.589 33.130 32.500 0.069 0.000 0.953 727 K HN 0.574 nan 8.250 nan 0.000 0.475 728 R N 2.049 122.589 120.500 0.067 0.000 2.585 728 R HA 0.071 4.412 4.340 0.002 0.000 0.275 728 R C 0.089 176.418 176.300 0.048 0.000 1.018 728 R CA -0.287 55.844 56.100 0.052 0.000 1.072 728 R CB 0.056 30.388 30.300 0.054 0.000 0.953 728 R HN 0.379 nan 8.270 nan 0.000 0.419 729 I N 3.649 124.241 120.570 0.037 0.000 2.517 729 I HA 0.082 4.253 4.170 0.002 0.000 0.285 729 I C 1.132 177.270 176.117 0.034 0.000 1.106 729 I CA 0.018 61.338 61.300 0.035 0.000 1.402 729 I CB 0.309 38.325 38.000 0.026 0.000 1.399 729 I HN 0.551 nan 8.210 nan 0.000 0.535 730 R N 4.671 125.196 120.500 0.042 0.000 2.615 730 R HA 0.270 4.611 4.340 0.002 0.000 0.270 730 R C 0.699 177.024 176.300 0.042 0.000 1.081 730 R CA -0.285 55.842 56.100 0.044 0.000 1.154 730 R CB 1.138 31.476 30.300 0.063 0.000 1.063 730 R HN 0.526 nan 8.270 nan 0.000 0.519 731 V N -0.707 119.231 119.914 0.040 0.000 2.801 731 V HA 0.244 4.365 4.120 0.002 0.000 0.145 731 V C 0.763 176.908 176.094 0.084 0.000 1.059 731 V CA 0.174 62.496 62.300 0.037 0.000 1.425 731 V CB -0.363 31.470 31.823 0.016 0.000 0.956 731 V HN 0.641 nan 8.190 nan 0.000 0.425 732 S N -2.573 113.204 115.700 0.127 0.000 2.794 732 S HA 0.485 4.957 4.470 0.002 0.000 0.299 732 S C 0.515 175.299 174.600 0.307 0.000 1.179 732 S CA -0.248 58.095 58.200 0.238 0.000 0.838 732 S CB 1.415 64.811 63.200 0.328 0.000 1.206 732 S HN 0.730 nan 8.310 nan 0.000 0.523 733 H N 0.515 119.674 119.070 0.150 0.000 2.300 733 H HA 0.010 4.567 4.556 0.002 0.000 0.302 733 H C 0.409 175.855 175.328 0.196 0.000 1.049 733 H CA 1.398 57.552 56.048 0.176 0.000 1.254 733 H CB -0.249 29.577 29.762 0.107 0.000 1.396 733 H HN 0.664 nan 8.280 nan 0.000 0.518 734 H N -0.114 119.076 119.070 0.201 0.000 3.056 734 H HA -0.153 4.404 4.556 0.002 0.000 0.281 734 H C -0.592 174.742 175.328 0.009 0.000 1.097 734 H CA 0.703 56.795 56.048 0.073 0.000 1.182 734 H CB -1.016 28.776 29.762 0.051 0.000 1.312 734 H HN 0.526 nan 8.280 nan 0.000 0.338 735 A N 0.151 122.990 122.820 0.032 0.000 2.500 735 A HA 0.458 4.779 4.320 0.002 0.000 0.291 735 A C 0.532 177.870 177.584 -0.411 0.000 1.048 735 A CA 0.100 52.041 52.037 -0.159 0.000 0.791 735 A CB 0.901 19.798 19.000 -0.172 0.000 1.309 735 A HN 0.397 nan 8.150 nan 0.000 0.397 736 T N -1.025 113.318 114.554 -0.352 0.000 3.532 736 T HA 0.514 4.865 4.350 0.002 0.000 0.241 736 T C -0.061 174.448 174.700 -0.317 0.000 1.238 736 T CA 0.283 62.193 62.100 -0.316 0.000 1.405 736 T CB 0.205 69.033 68.868 -0.066 0.000 0.971 736 T HN 1.439 nan 8.240 nan 0.000 0.640 737 T N 1.158 115.378 114.554 -0.557 0.000 4.130 737 T HA 0.380 4.731 4.350 0.002 0.000 0.262 737 T C -0.645 173.888 174.700 -0.278 0.000 0.951 737 T CA -0.521 61.402 62.100 -0.295 0.000 1.180 737 T CB -0.774 67.978 68.868 -0.192 0.000 1.009 737 T HN 0.419 nan 8.240 nan 0.000 0.536 738 F N 1.633 121.576 119.950 -0.013 0.000 2.418 738 F HA 0.349 4.877 4.527 0.002 0.000 0.341 738 F C 2.081 177.843 175.800 -0.062 0.000 1.120 738 F CA 0.041 58.028 58.000 -0.021 0.000 1.232 738 F CB 1.475 40.462 39.000 -0.021 0.000 1.175 738 F HN 0.318 nan 8.300 nan 0.000 0.569 739 T N -2.560 112.083 114.554 0.147 0.000 2.964 739 T HA 0.271 4.622 4.350 0.002 0.000 0.249 739 T C -0.194 174.198 174.700 -0.513 0.000 1.000 739 T CA 0.048 62.044 62.100 -0.172 0.000 0.992 739 T CB -0.099 68.672 68.868 -0.161 0.000 1.087 739 T HN 0.574 nan 8.240 nan 0.000 0.489 740 H N -0.792 118.358 119.070 0.133 0.000 3.017 740 H HA 0.711 5.268 4.556 0.002 0.000 0.346 740 H C -1.436 173.926 175.328 0.056 0.000 1.286 740 H CA -0.978 55.127 56.048 0.096 0.000 1.120 740 H CB 1.663 31.480 29.762 0.091 0.000 1.860 740 H HN 0.307 nan 8.280 nan 0.000 0.542 741 C N 1.454 120.885 119.300 0.220 0.000 2.626 741 C HA 0.503 4.964 4.460 0.002 0.000 0.310 741 C C -0.271 174.829 174.990 0.183 0.000 1.191 741 C CA -0.471 58.621 59.018 0.123 0.000 1.517 741 C CB 0.688 28.470 27.740 0.071 0.000 2.102 741 C HN 0.910 nan 8.230 nan 0.000 0.479 742 E N 2.867 123.131 120.200 0.108 0.000 2.452 742 E HA 0.103 4.454 4.350 0.002 0.000 0.261 742 E C 1.153 177.809 176.600 0.093 0.000 0.987 742 E CA 0.096 56.550 56.400 0.090 0.000 0.926 742 E CB 0.379 30.131 29.700 0.086 0.000 0.934 742 E HN 0.527 nan 8.360 nan 0.000 0.452 743 I N 2.330 122.855 120.570 -0.076 0.000 2.252 743 I HA -0.108 4.063 4.170 0.002 0.000 0.245 743 I C 0.719 176.839 176.117 0.005 0.000 1.102 743 I CA 1.421 62.612 61.300 -0.182 0.000 1.385 743 I CB -0.884 36.888 38.000 -0.379 0.000 1.064 743 I HN 0.607 nan 8.210 nan 0.000 0.414 744 H N -1.220 117.760 119.070 -0.150 0.000 3.120 744 H HA 0.185 4.742 4.556 0.002 0.000 0.314 744 H C -2.365 172.935 175.328 -0.047 0.000 1.151 744 H CA -0.761 55.211 56.048 -0.127 0.000 1.404 744 H CB 1.725 31.275 29.762 -0.354 0.000 2.031 744 H HN -0.323 nan 8.280 nan 0.000 0.513 745 P HA -0.122 nan 4.420 nan 0.000 0.222 745 P C 1.125 178.603 177.300 0.297 0.000 1.147 745 P CA 1.661 64.761 63.100 -0.001 0.000 0.790 745 P CB 0.208 31.740 31.700 -0.281 0.000 0.780 746 S N -1.978 114.150 115.700 0.713 0.000 2.555 746 S HA -0.008 4.463 4.470 0.002 0.000 0.230 746 S C 1.589 176.314 174.600 0.209 0.000 0.978 746 S CA 0.590 59.108 58.200 0.530 0.000 0.934 746 S CB -0.902 62.606 63.200 0.514 0.000 0.766 746 S HN -0.037 nan 8.310 nan 0.000 0.533 747 M N 1.762 121.427 119.600 0.108 0.000 2.618 747 M HA 0.282 4.763 4.480 0.002 0.000 0.240 747 M C 1.725 177.935 176.300 -0.151 0.000 1.123 747 M CA 0.313 55.589 55.300 -0.040 0.000 1.060 747 M CB -1.014 31.515 32.600 -0.118 0.000 1.535 747 M HN 0.603 nan 8.290 nan 0.000 0.507 748 I N -1.966 118.471 120.570 -0.223 0.000 2.916 748 I HA -0.039 4.132 4.170 0.002 0.000 0.267 748 I C 0.543 176.535 176.117 -0.208 0.000 1.263 748 I CA 0.468 61.542 61.300 -0.377 0.000 1.471 748 I CB -0.251 37.349 38.000 -0.666 0.000 1.089 748 I HN 0.004 nan 8.210 nan 0.000 0.468 749 L N 1.346 122.505 121.223 -0.107 0.000 2.399 749 L HA 0.597 4.938 4.340 0.002 0.000 0.265 749 L C 1.140 177.970 176.870 -0.066 0.000 1.089 749 L CA -0.459 54.336 54.840 -0.076 0.000 0.802 749 L CB 1.194 43.225 42.059 -0.047 0.000 1.180 749 L HN 0.127 nan 8.230 nan 0.000 0.454 750 G N 0.133 108.892 108.800 -0.067 0.000 2.504 750 G HA2 0.247 4.208 3.960 0.002 0.000 0.257 750 G HA3 0.247 4.208 3.960 0.002 0.000 0.257 750 G C 0.742 175.616 174.900 -0.044 0.000 1.451 750 G CA -0.375 44.692 45.100 -0.054 0.000 1.059 750 G HN 0.389 nan 8.290 nan 0.000 0.550 751 V N 0.018 119.906 119.914 -0.043 0.000 2.591 751 V HA 0.089 4.210 4.120 0.002 0.000 0.249 751 V C 2.800 178.842 176.094 -0.086 0.000 1.053 751 V CA 2.538 64.808 62.300 -0.049 0.000 1.068 751 V CB -0.203 31.595 31.823 -0.040 0.000 0.689 751 V HN 0.757 nan 8.190 nan 0.000 0.462 752 A N -0.424 122.343 122.820 -0.088 0.000 1.871 752 A HA 0.246 4.567 4.320 0.002 0.000 0.211 752 A C 2.280 179.788 177.584 -0.127 0.000 1.207 752 A CA 1.114 53.086 52.037 -0.110 0.000 0.620 752 A CB -0.895 18.053 19.000 -0.087 0.000 0.860 752 A HN 0.621 nan 8.150 nan 0.000 0.450 753 A N -0.074 122.685 122.820 -0.102 0.000 2.234 753 A HA -0.007 4.314 4.320 0.002 0.000 0.216 753 A C 2.055 179.566 177.584 -0.121 0.000 1.167 753 A CA 1.673 53.647 52.037 -0.104 0.000 0.698 753 A CB -0.705 18.246 19.000 -0.081 0.000 0.779 753 A HN 0.397 nan 8.150 nan 0.000 0.475 754 S N -0.190 115.434 115.700 -0.126 0.000 2.515 754 S HA -0.009 4.462 4.470 0.002 0.000 0.231 754 S C 1.485 175.963 174.600 -0.202 0.000 0.987 754 S CA 0.803 58.924 58.200 -0.131 0.000 0.936 754 S CB -0.176 62.968 63.200 -0.095 0.000 0.766 754 S HN 0.597 nan 8.310 nan 0.000 0.528 755 I N 0.901 121.310 120.570 -0.267 0.000 2.703 755 I HA 0.182 4.354 4.170 0.002 0.000 0.259 755 I C 0.783 176.729 176.117 -0.285 0.000 1.151 755 I CA 0.152 61.225 61.300 -0.380 0.000 1.470 755 I CB -1.116 36.568 38.000 -0.527 0.000 1.112 755 I HN 0.182 nan 8.210 nan 0.000 0.437 756 I N 5.139 125.571 120.570 -0.231 0.000 2.828 756 I HA -0.053 4.118 4.170 0.002 0.000 0.292 756 I C -1.887 174.114 176.117 -0.193 0.000 1.206 756 I CA -0.661 60.509 61.300 -0.217 0.000 1.420 756 I CB -0.106 37.800 38.000 -0.157 0.000 1.368 756 I HN -0.011 nan 8.210 nan 0.000 0.556 757 P HA 0.168 nan 4.420 nan 0.000 0.288 757 P C -0.336 176.966 177.300 0.003 0.000 1.267 757 P CA -0.425 62.548 63.100 -0.211 0.000 0.815 757 P CB 0.548 32.130 31.700 -0.196 0.000 0.989 758 F N 0.765 120.745 119.950 0.050 0.000 2.738 758 F HA -0.178 4.350 4.527 0.002 0.000 0.232 758 F C -1.363 174.524 175.800 0.146 0.000 1.025 758 F CA -0.589 57.492 58.000 0.135 0.000 0.895 758 F CB -1.603 37.487 39.000 0.152 0.000 0.839 758 F HN 0.341 nan 8.300 nan 0.000 0.850 759 P HA -0.134 nan 4.420 nan 0.000 0.220 759 P C 1.259 178.608 177.300 0.083 0.000 1.152 759 P CA 1.635 64.788 63.100 0.090 0.000 0.812 759 P CB 0.064 31.747 31.700 -0.028 0.000 0.792 760 D N -1.727 118.689 120.400 0.027 0.000 2.354 760 D HA -0.204 4.437 4.640 0.002 0.000 0.216 760 D C 1.133 177.342 176.300 -0.152 0.000 0.970 760 D CA 1.170 55.155 54.000 -0.025 0.000 0.905 760 D CB -1.475 39.291 40.800 -0.055 0.000 0.903 760 D HN 0.354 nan 8.370 nan 0.000 0.508 761 H N -0.565 118.557 119.070 0.087 0.000 2.529 761 H HA 0.267 4.824 4.556 0.002 0.000 0.277 761 H C -0.106 175.246 175.328 0.040 0.000 1.004 761 H CA -0.234 55.839 56.048 0.042 0.000 1.167 761 H CB -0.017 29.739 29.762 -0.009 0.000 1.445 761 H HN 0.212 nan 8.280 nan 0.000 0.554 762 N N 1.536 120.322 118.700 0.145 0.000 2.417 762 N HA 0.043 4.784 4.740 0.002 0.000 0.300 762 N C -0.158 175.376 175.510 0.040 0.000 1.102 762 N CA -0.483 52.626 53.050 0.099 0.000 0.886 762 N CB 1.904 40.469 38.487 0.130 0.000 1.203 762 N HN 0.157 nan 8.380 nan 0.000 0.496 763 Q N 1.749 121.556 119.800 0.012 0.000 2.271 763 Q HA 0.018 4.359 4.340 0.002 0.000 0.273 763 Q C 0.707 176.672 176.000 -0.058 0.000 1.051 763 Q CA -0.165 55.627 55.803 -0.019 0.000 0.901 763 Q CB 0.753 29.476 28.738 -0.026 0.000 1.174 763 Q HN 0.909 nan 8.270 nan 0.000 0.385 764 S N 5.345 121.015 115.700 -0.051 0.000 2.378 764 S HA -0.164 4.307 4.470 0.002 0.000 0.229 764 S C -0.860 173.643 174.600 -0.162 0.000 1.052 764 S CA 1.563 59.719 58.200 -0.072 0.000 1.084 764 S CB -1.565 61.612 63.200 -0.039 0.000 0.950 764 S HN 0.772 nan 8.310 nan 0.000 0.440 765 P HA -0.137 nan 4.420 nan 0.000 0.216 765 P C 1.376 178.136 177.300 -0.900 0.000 1.150 765 P CA 1.205 64.044 63.100 -0.434 0.000 0.837 765 P CB -0.207 31.277 31.700 -0.359 0.000 0.786 766 R N 0.073 120.158 120.500 -0.692 0.000 2.112 766 R HA -0.153 4.188 4.340 0.002 0.000 0.242 766 R C 2.077 178.214 176.300 -0.271 0.000 1.137 766 R CA 1.261 57.054 56.100 -0.512 0.000 0.944 766 R CB -1.769 28.440 30.300 -0.152 0.000 0.857 766 R HN 0.290 nan 8.270 nan 0.000 0.435 767 N N 0.190 118.791 118.700 -0.165 0.000 2.091 767 N HA -0.147 4.594 4.740 0.002 0.000 0.193 767 N C 1.731 177.194 175.510 -0.078 0.000 1.021 767 N CA 1.969 54.967 53.050 -0.087 0.000 0.862 767 N CB -0.527 37.923 38.487 -0.062 0.000 1.018 767 N HN 0.290 nan 8.380 nan 0.000 0.429 768 T N 0.690 115.174 114.554 -0.115 0.000 2.746 768 T HA -0.091 4.260 4.350 0.002 0.000 0.267 768 T C 1.785 176.566 174.700 0.134 0.000 1.039 768 T CA 0.942 63.033 62.100 -0.014 0.000 1.142 768 T CB -0.446 68.421 68.868 -0.002 0.000 0.866 768 T HN 0.415 nan 8.240 nan 0.000 0.444 769 Y N 1.084 121.366 120.300 -0.030 0.000 2.165 769 Y HA -0.222 4.329 4.550 0.002 0.000 0.286 769 Y C 3.031 178.904 175.900 -0.045 0.000 1.155 769 Y CA 0.730 58.810 58.100 -0.034 0.000 1.164 769 Y CB -0.257 38.191 38.460 -0.020 0.000 0.978 769 Y HN 0.180 nan 8.280 nan 0.000 0.513 770 Q N 0.956 120.821 119.800 0.109 0.000 2.124 770 Q HA -0.135 4.206 4.340 0.002 0.000 0.202 770 Q C 1.936 177.923 176.000 -0.021 0.000 0.977 770 Q CA 1.986 57.797 55.803 0.014 0.000 0.850 770 Q CB -0.432 28.279 28.738 -0.044 0.000 0.901 770 Q HN 0.219 nan 8.270 nan 0.000 0.429 771 S N -0.203 115.486 115.700 -0.019 0.000 2.555 771 S HA 0.068 4.539 4.470 0.002 0.000 0.230 771 S C 1.606 176.186 174.600 -0.034 0.000 0.978 771 S CA 0.605 58.781 58.200 -0.040 0.000 0.934 771 S CB -0.139 63.036 63.200 -0.042 0.000 0.766 771 S HN 0.547 nan 8.310 nan 0.000 0.533 772 A N 0.926 123.739 122.820 -0.012 0.000 1.984 772 A HA 0.284 4.605 4.320 0.002 0.000 0.214 772 A C 1.954 179.507 177.584 -0.052 0.000 1.173 772 A CA 0.473 52.491 52.037 -0.032 0.000 0.673 772 A CB -0.239 18.748 19.000 -0.021 0.000 0.830 772 A HN 0.448 nan 8.150 nan 0.000 0.453 773 M N -1.011 118.565 119.600 -0.040 0.000 2.486 773 M HA 0.080 4.561 4.480 0.002 0.000 0.264 773 M C 2.150 178.422 176.300 -0.048 0.000 1.125 773 M CA 0.780 56.051 55.300 -0.048 0.000 1.144 773 M CB -0.026 32.555 32.600 -0.033 0.000 1.353 773 M HN 0.478 nan 8.290 nan 0.000 0.466 774 G N 1.061 109.835 108.800 -0.044 0.000 2.432 774 G HA2 -0.203 3.758 3.960 0.002 0.000 0.219 774 G HA3 -0.203 3.758 3.960 0.002 0.000 0.219 774 G C 1.580 176.480 174.900 0.001 0.000 1.135 774 G CA 0.786 45.870 45.100 -0.027 0.000 0.767 774 G HN 0.375 nan 8.290 nan 0.000 0.550 775 K N 0.012 120.392 120.400 -0.033 0.000 2.211 775 K HA -0.026 4.296 4.320 0.002 0.000 0.203 775 K C 2.335 178.884 176.600 -0.086 0.000 1.050 775 K CA 0.964 57.227 56.287 -0.040 0.000 0.945 775 K CB 0.005 32.455 32.500 -0.083 0.000 0.732 775 K HN 0.374 nan 8.250 nan 0.000 0.451 776 Q N -0.194 119.513 119.800 -0.155 0.000 2.280 776 Q HA 0.184 4.525 4.340 0.002 0.000 0.201 776 Q C -0.279 175.571 176.000 -0.250 0.000 0.890 776 Q CA -0.245 55.330 55.803 -0.381 0.000 0.947 776 Q CB 0.992 29.554 28.738 -0.293 0.000 1.081 776 Q HN 0.115 nan 8.270 nan 0.000 0.502 777 A N 1.209 124.048 122.820 0.032 0.000 2.289 777 A HA 0.404 4.725 4.320 0.002 0.000 0.298 777 A C 0.032 177.831 177.584 0.359 0.000 1.208 777 A CA -0.448 51.670 52.037 0.136 0.000 0.845 777 A CB 0.236 19.297 19.000 0.101 0.000 1.125 777 A HN 0.253 nan 8.150 nan 0.000 0.517 778 M N 2.408 122.223 119.600 0.358 0.000 2.245 778 M HA 0.240 4.721 4.480 0.002 0.000 0.335 778 M C 1.122 177.505 176.300 0.138 0.000 1.155 778 M CA 1.878 57.296 55.300 0.197 0.000 1.055 778 M CB 0.379 33.050 32.600 0.118 0.000 1.670 778 M HN 0.969 nan 8.290 nan 0.000 0.447 779 G N 1.577 110.422 108.800 0.076 0.000 3.046 779 G HA2 0.517 4.478 3.960 0.002 0.000 0.137 779 G HA3 0.517 4.478 3.960 0.002 0.000 0.137 779 G C -1.577 173.317 174.900 -0.011 0.000 1.207 779 G CA -0.455 44.677 45.100 0.054 0.000 1.218 779 G HN 0.491 nan 8.290 nan 0.000 0.625 780 V N 2.186 122.083 119.914 -0.029 0.000 2.595 780 V HA 0.247 4.368 4.120 0.002 0.000 0.269 780 V C 0.427 176.439 176.094 -0.137 0.000 0.982 780 V CA -0.467 61.742 62.300 -0.152 0.000 0.873 780 V CB 0.676 32.404 31.823 -0.159 0.000 1.051 780 V HN 0.756 nan 8.190 nan 0.000 0.466 781 F N 3.236 123.167 119.950 -0.031 0.000 2.325 781 F HA 0.429 4.957 4.527 0.001 0.000 0.299 781 F C 0.349 176.225 175.800 0.127 0.000 1.090 781 F CA 0.677 58.715 58.000 0.064 0.000 1.392 781 F CB 0.031 39.038 39.000 0.011 0.000 1.053 781 F HN 0.226 nan 8.300 nan 0.000 0.521 782 L N -0.943 119.885 121.223 -0.659 0.000 2.671 782 L HA 0.243 4.584 4.340 0.002 0.000 0.259 782 L C 0.636 177.358 176.870 -0.246 0.000 1.021 782 L CA -0.553 54.110 54.840 -0.295 0.000 0.871 782 L CB 2.075 44.086 42.059 -0.081 0.000 1.472 782 L HN -0.241 nan 8.230 nan 0.000 0.410 783 T N -1.026 113.499 114.554 -0.049 0.000 2.937 783 T HA -0.038 4.313 4.350 0.002 0.000 0.260 783 T C 1.115 175.733 174.700 -0.138 0.000 1.051 783 T CA 1.069 63.161 62.100 -0.014 0.000 1.141 783 T CB -0.195 68.754 68.868 0.135 0.000 0.879 783 T HN 0.658 nan 8.240 nan 0.000 0.459 784 N N 1.982 120.622 118.700 -0.099 0.000 2.416 784 N HA -0.027 4.714 4.740 0.002 0.000 0.215 784 N C 1.060 176.459 175.510 -0.186 0.000 1.208 784 N CA -0.104 52.868 53.050 -0.130 0.000 0.834 784 N CB -0.888 37.576 38.487 -0.040 0.000 1.072 784 N HN 0.608 nan 8.380 nan 0.000 0.472 785 Y N 0.967 121.134 120.300 -0.222 0.000 2.373 785 Y HA 0.073 4.625 4.550 0.002 0.000 0.293 785 Y C 0.859 176.600 175.900 -0.264 0.000 1.129 785 Y CA 0.653 58.590 58.100 -0.272 0.000 1.226 785 Y CB -1.262 36.891 38.460 -0.511 0.000 1.000 785 Y HN 0.099 nan 8.280 nan 0.000 0.549 786 N N 0.090 118.398 118.700 -0.654 0.000 2.567 786 N HA -0.006 4.735 4.740 0.002 0.000 0.195 786 N C 0.346 175.722 175.510 -0.223 0.000 1.242 786 N CA 0.972 53.779 53.050 -0.405 0.000 0.884 786 N CB -0.032 38.160 38.487 -0.490 0.000 1.007 786 N HN 0.380 nan 8.380 nan 0.000 0.450 787 V N -1.693 118.122 119.914 -0.165 0.000 3.426 787 V HA 0.209 4.331 4.120 0.002 0.000 0.271 787 V C 0.677 176.744 176.094 -0.044 0.000 1.530 787 V CA -0.186 62.058 62.300 -0.095 0.000 1.021 787 V CB 0.036 31.809 31.823 -0.082 0.000 0.824 787 V HN 0.122 nan 8.190 nan 0.000 0.432 788 R N 0.648 121.132 120.500 -0.026 0.000 2.549 788 R HA 0.657 4.999 4.340 0.002 0.000 0.267 788 R C -0.442 175.854 176.300 -0.007 0.000 1.045 788 R CA -0.253 55.857 56.100 0.018 0.000 1.115 788 R CB 0.772 31.124 30.300 0.087 0.000 1.121 788 R HN 0.072 nan 8.270 nan 0.000 0.543 789 M N 2.937 122.543 119.600 0.011 0.000 1.960 789 M HA 0.225 4.707 4.480 0.002 0.000 0.271 789 M C -1.710 174.593 176.300 0.005 0.000 0.862 789 M CA -0.880 54.421 55.300 0.001 0.000 0.854 789 M CB 1.024 33.630 32.600 0.011 0.000 1.575 789 M HN 0.618 nan 8.290 nan 0.000 0.375 790 D N 0.310 120.695 120.400 -0.025 0.000 2.738 790 D HA 0.440 5.081 4.640 0.002 0.000 0.237 790 D C -0.343 175.910 176.300 -0.079 0.000 1.123 790 D CA -0.483 53.490 54.000 -0.045 0.000 0.856 790 D CB 0.777 41.535 40.800 -0.071 0.000 1.552 790 D HN 0.254 nan 8.370 nan 0.000 0.480 791 T N 0.361 114.867 114.554 -0.081 0.000 2.866 791 T HA 0.256 4.607 4.350 0.002 0.000 0.293 791 T C 0.541 175.163 174.700 -0.131 0.000 1.005 791 T CA -0.209 61.822 62.100 -0.115 0.000 1.162 791 T CB -0.344 68.465 68.868 -0.099 0.000 0.968 791 T HN 0.577 nan 8.240 nan 0.000 0.530 792 M N 1.108 120.595 119.600 -0.188 0.000 4.045 792 M HA -0.022 4.460 4.480 0.002 0.000 0.157 792 M C -0.359 175.799 176.300 -0.237 0.000 1.532 792 M CA 0.765 55.934 55.300 -0.217 0.000 1.097 792 M CB -0.973 31.619 32.600 -0.013 0.000 1.346 792 M HN 1.117 nan 8.290 nan 0.000 0.192 793 A N 4.943 127.607 122.820 -0.261 0.000 2.408 793 A HA 0.786 5.108 4.320 0.002 0.000 0.295 793 A C -0.721 176.850 177.584 -0.023 0.000 1.040 793 A CA -0.778 51.189 52.037 -0.117 0.000 0.707 793 A CB 1.421 20.441 19.000 0.032 0.000 1.235 793 A HN 0.748 nan 8.150 nan 0.000 0.418 794 N N 1.978 120.617 118.700 -0.103 0.000 2.479 794 N HA 0.530 5.271 4.740 0.002 0.000 0.261 794 N C -1.553 173.922 175.510 -0.057 0.000 0.979 794 N CA -0.302 52.713 53.050 -0.059 0.000 0.930 794 N CB 1.600 39.939 38.487 -0.247 0.000 1.172 794 N HN 0.486 nan 8.380 nan 0.000 0.499 795 I N 2.379 122.944 120.570 -0.008 0.000 2.474 795 I HA 0.262 4.433 4.170 0.002 0.000 0.294 795 I C -0.236 175.893 176.117 0.021 0.000 1.005 795 I CA -0.630 60.619 61.300 -0.085 0.000 1.113 795 I CB 1.656 39.452 38.000 -0.339 0.000 1.289 795 I HN 0.291 nan 8.210 nan 0.000 0.436 796 L N 6.037 127.277 121.223 0.029 0.000 2.416 796 L HA 0.100 4.442 4.340 0.002 0.000 0.272 796 L C 0.682 177.617 176.870 0.109 0.000 1.161 796 L CA 0.605 55.512 54.840 0.111 0.000 0.845 796 L CB 0.081 42.208 42.059 0.113 0.000 1.119 796 L HN 0.469 nan 8.230 nan 0.000 0.464 797 Y N 3.695 123.928 120.300 -0.112 0.000 2.097 797 Y HA -0.195 4.356 4.550 0.002 0.000 0.282 797 Y C 0.641 176.225 175.900 -0.527 0.000 1.152 797 Y CA 1.627 59.508 58.100 -0.364 0.000 1.136 797 Y CB -0.279 37.946 38.460 -0.392 0.000 0.975 797 Y HN 0.525 nan 8.280 nan 0.000 0.498 798 Y N -0.943 119.455 120.300 0.163 0.000 2.501 798 Y HA 0.335 4.887 4.550 0.002 0.000 0.331 798 Y C -2.345 173.573 175.900 0.030 0.000 0.950 798 Y CA -2.791 55.349 58.100 0.066 0.000 1.120 798 Y CB 0.247 38.738 38.460 0.051 0.000 1.154 798 Y HN -0.093 nan 8.280 nan 0.000 0.630 799 P HA -0.088 nan 4.420 nan 0.000 0.261 799 P C -0.639 176.700 177.300 0.065 0.000 1.165 799 P CA 0.816 63.961 63.100 0.074 0.000 0.759 799 P CB 0.563 32.263 31.700 0.001 0.000 0.772 800 Q N 2.021 121.876 119.800 0.092 0.000 2.333 800 Q HA 0.239 4.580 4.340 0.002 0.000 0.267 800 Q C -0.031 175.994 176.000 0.041 0.000 1.012 800 Q CA -1.184 54.660 55.803 0.068 0.000 0.824 800 Q CB 1.893 30.688 28.738 0.096 0.000 1.290 800 Q HN 0.366 nan 8.270 nan 0.000 0.449 801 K N 2.173 122.505 120.400 -0.114 0.000 2.524 801 K HA 0.142 4.463 4.320 0.002 0.000 0.279 801 K C -2.348 174.062 176.600 -0.316 0.000 0.993 801 K CA -0.901 55.241 56.287 -0.243 0.000 1.030 801 K CB -0.023 32.355 32.500 -0.204 0.000 0.891 801 K HN 0.196 nan 8.250 nan 0.000 0.488 802 P HA 0.064 nan 4.420 nan 0.000 0.279 802 P C 0.317 177.392 177.300 -0.376 0.000 1.252 802 P CA -0.529 62.050 63.100 -0.869 0.000 0.811 802 P CB 0.878 31.674 31.700 -1.508 0.000 1.035 803 L N 0.071 121.149 121.223 -0.242 0.000 2.162 803 L HA 0.152 4.493 4.340 0.002 0.000 0.205 803 L C 1.567 178.348 176.870 -0.149 0.000 1.086 803 L CA 1.043 55.791 54.840 -0.154 0.000 0.778 803 L CB -0.718 41.278 42.059 -0.104 0.000 0.928 803 L HN 0.479 nan 8.230 nan 0.000 0.446 804 G N -0.045 108.661 108.800 -0.156 0.000 2.335 804 G HA2 0.489 4.450 3.960 0.002 0.000 0.316 804 G HA3 0.489 4.450 3.960 0.002 0.000 0.316 804 G C -0.245 174.520 174.900 -0.224 0.000 1.129 804 G CA -0.096 44.899 45.100 -0.175 0.000 0.899 804 G HN 0.093 nan 8.290 nan 0.000 0.448 805 T N -0.793 113.622 114.554 -0.232 0.000 2.804 805 T HA 0.840 5.191 4.350 0.002 0.000 0.272 805 T C -0.012 174.527 174.700 -0.267 0.000 0.986 805 T CA -0.706 61.257 62.100 -0.228 0.000 0.999 805 T CB 1.979 70.728 68.868 -0.197 0.000 1.307 805 T HN 0.421 nan 8.240 nan 0.000 0.586 806 T N -0.051 114.352 114.554 -0.252 0.000 2.906 806 T HA 0.491 4.842 4.350 0.002 0.000 0.295 806 T C 0.877 175.389 174.700 -0.314 0.000 1.075 806 T CA -0.997 60.943 62.100 -0.267 0.000 1.005 806 T CB 2.187 70.921 68.868 -0.223 0.000 1.136 806 T HN 0.407 nan 8.240 nan 0.000 0.498 807 R N 0.877 121.125 120.500 -0.420 0.000 2.148 807 R HA 0.052 4.394 4.340 0.002 0.000 0.227 807 R C 2.296 178.343 176.300 -0.421 0.000 1.103 807 R CA 1.104 56.795 56.100 -0.682 0.000 0.983 807 R CB -0.954 28.433 30.300 -1.522 0.000 0.874 807 R HN 0.760 nan 8.270 nan 0.000 0.451 808 A N 0.586 123.314 122.820 -0.154 0.000 2.070 808 A HA -0.119 4.203 4.320 0.002 0.000 0.220 808 A C 2.171 179.704 177.584 -0.086 0.000 1.159 808 A CA 1.020 53.081 52.037 0.041 0.000 0.656 808 A CB -0.361 18.680 19.000 0.068 0.000 0.800 808 A HN 0.201 nan 8.150 nan 0.000 0.453 809 M N -1.062 118.435 119.600 -0.171 0.000 2.149 809 M HA -0.196 4.285 4.480 0.002 0.000 0.261 809 M C 2.109 178.297 176.300 -0.187 0.000 1.064 809 M CA 1.873 57.097 55.300 -0.127 0.000 1.102 809 M CB -0.363 32.188 32.600 -0.082 0.000 1.369 809 M HN 0.616 nan 8.290 nan 0.000 0.408 810 E N 0.187 120.154 120.200 -0.390 0.000 2.130 810 E HA -0.227 4.124 4.350 0.002 0.000 0.196 810 E C 1.054 177.292 176.600 -0.604 0.000 0.998 810 E CA 1.599 57.663 56.400 -0.560 0.000 0.806 810 E CB 0.004 29.186 29.700 -0.864 0.000 0.738 810 E HN 0.664 nan 8.360 nan 0.000 0.459 811 Y N -0.933 119.280 120.300 -0.145 0.000 2.457 811 Y HA 0.205 4.756 4.550 0.002 0.000 0.263 811 Y C 1.375 177.155 175.900 -0.201 0.000 1.164 811 Y CA -0.080 57.866 58.100 -0.257 0.000 1.274 811 Y CB 0.461 38.522 38.460 -0.665 0.000 1.097 811 Y HN -0.017 nan 8.280 nan 0.000 0.523 812 L N -0.144 121.073 121.223 -0.009 0.000 2.808 812 L HA 0.195 4.536 4.340 0.002 0.000 0.246 812 L C 0.275 177.271 176.870 0.210 0.000 1.153 812 L CA -0.067 54.826 54.840 0.089 0.000 0.956 812 L CB 0.296 42.384 42.059 0.049 0.000 1.270 812 L HN -0.032 nan 8.230 nan 0.000 0.528 813 K N -0.709 119.755 120.400 0.108 0.000 3.129 813 K HA -0.254 4.067 4.320 0.002 0.000 0.273 813 K C 0.586 177.161 176.600 -0.043 0.000 1.123 813 K CA 0.704 56.994 56.287 0.004 0.000 0.800 813 K CB -2.408 30.060 32.500 -0.053 0.000 1.238 813 K HN 0.261 nan 8.250 nan 0.000 0.492 814 F N 1.560 121.449 119.950 -0.101 0.000 2.387 814 F HA 0.024 4.553 4.527 0.002 0.000 0.294 814 F C 2.227 177.952 175.800 -0.126 0.000 1.093 814 F CA 1.004 58.952 58.000 -0.086 0.000 1.420 814 F CB 0.252 39.217 39.000 -0.058 0.000 1.086 814 F HN 0.153 nan 8.300 nan 0.000 0.531 815 R N -0.211 120.199 120.500 -0.150 0.000 2.240 815 R HA 0.020 4.361 4.340 0.002 0.000 0.203 815 R C 1.147 177.305 176.300 -0.237 0.000 1.011 815 R CA 1.065 57.031 56.100 -0.225 0.000 1.007 815 R CB -0.712 29.501 30.300 -0.146 0.000 0.911 815 R HN 0.214 nan 8.270 nan 0.000 0.468 816 E N 1.127 121.180 120.200 -0.245 0.000 2.170 816 E HA 0.161 4.512 4.350 0.002 0.000 0.191 816 E C 0.540 176.886 176.600 -0.424 0.000 0.981 816 E CA 0.703 56.941 56.400 -0.269 0.000 0.830 816 E CB 0.253 29.813 29.700 -0.235 0.000 0.775 816 E HN 0.189 nan 8.360 nan 0.000 0.470 817 L N 2.060 122.967 121.223 -0.526 0.000 2.637 817 L HA 0.356 4.697 4.340 0.002 0.000 0.241 817 L C -2.421 174.171 176.870 -0.464 0.000 1.398 817 L CA -1.712 52.827 54.840 -0.500 0.000 0.895 817 L CB 0.980 42.632 42.059 -0.680 0.000 1.183 817 L HN -0.063 nan 8.230 nan 0.000 0.497 818 P HA 0.236 nan 4.420 nan 0.000 0.274 818 P C -0.667 176.448 177.300 -0.308 0.000 1.246 818 P CA -0.361 62.292 63.100 -0.745 0.000 0.795 818 P CB 1.762 33.170 31.700 -0.486 0.000 1.006 819 A N 0.876 123.609 122.820 -0.145 0.000 2.702 819 A HA 0.718 5.039 4.320 0.002 0.000 0.305 819 A C -0.058 177.625 177.584 0.166 0.000 1.213 819 A CA -0.081 52.033 52.037 0.128 0.000 0.745 819 A CB 0.088 19.238 19.000 0.251 0.000 1.161 819 A HN 0.825 nan 8.150 nan 0.000 0.445 820 G N 0.552 109.406 108.800 0.088 0.000 2.350 820 G HA2 0.433 4.394 3.960 0.002 0.000 0.305 820 G HA3 0.433 4.394 3.960 0.002 0.000 0.305 820 G C -1.613 173.264 174.900 -0.039 0.000 1.479 820 G CA -0.805 44.154 45.100 -0.235 0.000 0.949 820 G HN 0.675 nan 8.290 nan 0.000 0.651 821 Q N -0.220 119.551 119.800 -0.049 0.000 2.394 821 Q HA 0.371 4.712 4.340 0.002 0.000 0.273 821 Q C -0.563 175.513 176.000 0.127 0.000 1.089 821 Q CA -1.079 54.721 55.803 -0.005 0.000 0.812 821 Q CB 1.989 30.463 28.738 -0.440 0.000 1.353 821 Q HN 0.477 nan 8.270 nan 0.000 0.438 822 N N 1.492 120.295 118.700 0.171 0.000 2.549 822 N HA 0.140 4.881 4.740 0.002 0.000 0.267 822 N C -0.986 174.512 175.510 -0.020 0.000 1.182 822 N CA 0.089 53.215 53.050 0.128 0.000 1.019 822 N CB 0.583 39.116 38.487 0.077 0.000 1.380 822 N HN 0.480 nan 8.380 nan 0.000 0.505 823 A N 2.839 125.660 122.820 0.001 0.000 2.366 823 A HA 0.258 4.579 4.320 0.002 0.000 0.272 823 A C 0.759 178.273 177.584 -0.116 0.000 1.135 823 A CA -0.587 51.397 52.037 -0.088 0.000 0.804 823 A CB 0.333 19.303 19.000 -0.049 0.000 1.064 823 A HN 0.457 nan 8.150 nan 0.000 0.499 824 I N 4.112 124.575 120.570 -0.179 0.000 2.725 824 I HA -0.014 4.157 4.170 0.002 0.000 0.296 824 I C 0.568 176.497 176.117 -0.312 0.000 1.155 824 I CA 0.646 61.764 61.300 -0.302 0.000 1.450 824 I CB -0.913 36.897 38.000 -0.317 0.000 1.478 824 I HN 0.305 nan 8.210 nan 0.000 0.642 825 V N 6.396 126.140 119.914 -0.284 0.000 2.732 825 V HA 0.674 4.795 4.120 0.002 0.000 0.297 825 V C 0.417 176.413 176.094 -0.165 0.000 1.060 825 V CA -0.403 61.792 62.300 -0.175 0.000 1.038 825 V CB 1.749 33.557 31.823 -0.025 0.000 1.003 825 V HN 0.845 nan 8.190 nan 0.000 0.481 826 A N 6.992 129.837 122.820 0.042 0.000 2.343 826 A HA 0.732 5.053 4.320 0.002 0.000 0.308 826 A C -0.765 176.901 177.584 0.137 0.000 1.092 826 A CA -0.624 51.543 52.037 0.216 0.000 0.751 826 A CB 0.961 20.176 19.000 0.358 0.000 1.203 826 A HN 0.723 nan 8.150 nan 0.000 0.452 827 I N 2.243 122.910 120.570 0.162 0.000 2.291 827 I HA 0.573 4.744 4.170 0.002 0.000 0.290 827 I C 0.362 176.540 176.117 0.102 0.000 1.050 827 I CA 0.038 61.417 61.300 0.132 0.000 1.245 827 I CB 0.838 38.935 38.000 0.162 0.000 1.405 827 I HN 0.729 nan 8.210 nan 0.000 0.478 828 A N 4.915 127.784 122.820 0.082 0.000 2.577 828 A HA 0.448 4.769 4.320 0.002 0.000 0.297 828 A C -0.981 176.663 177.584 0.099 0.000 1.060 828 A CA -0.487 51.603 52.037 0.088 0.000 0.697 828 A CB 1.139 20.206 19.000 0.112 0.000 1.281 828 A HN 0.675 nan 8.150 nan 0.000 0.402 829 C N 2.968 122.316 119.300 0.079 0.000 2.595 829 C HA 0.397 4.858 4.460 0.002 0.000 0.374 829 C C 0.814 175.916 174.990 0.187 0.000 1.250 829 C CA 0.278 59.358 59.018 0.102 0.000 1.595 829 C CB -2.389 25.377 27.740 0.043 0.000 2.257 829 C HN 0.785 nan 8.230 nan 0.000 0.568 830 Y N 2.525 122.867 120.300 0.070 0.000 3.197 830 Y HA 0.123 4.674 4.550 0.002 0.000 0.390 830 Y C 2.402 178.391 175.900 0.147 0.000 1.059 830 Y CA 1.136 59.296 58.100 0.099 0.000 1.483 830 Y CB -0.499 38.049 38.460 0.145 0.000 1.308 830 Y HN 0.554 nan 8.280 nan 0.000 0.757 831 S N -0.056 115.874 115.700 0.382 0.000 2.440 831 S HA -0.066 4.405 4.470 0.002 0.000 0.240 831 S C 1.551 176.300 174.600 0.247 0.000 1.014 831 S CA 1.165 59.585 58.200 0.368 0.000 0.980 831 S CB -1.156 62.529 63.200 0.808 0.000 0.775 831 S HN 1.291 nan 8.310 nan 0.000 0.499 832 G N -0.265 108.652 108.800 0.195 0.000 2.137 832 G HA2 -0.286 3.675 3.960 0.002 0.000 0.237 832 G HA3 -0.286 3.675 3.960 0.002 0.000 0.237 832 G C 0.144 175.022 174.900 -0.035 0.000 1.002 832 G CA 0.340 45.476 45.100 0.060 0.000 0.702 832 G HN 0.594 nan 8.290 nan 0.000 0.515 833 Y N 0.450 120.809 120.300 0.098 0.000 2.458 833 Y HA 0.193 4.744 4.550 0.002 0.000 0.256 833 Y C 1.866 177.779 175.900 0.022 0.000 1.159 833 Y CA 0.548 58.680 58.100 0.053 0.000 1.261 833 Y CB 0.519 38.999 38.460 0.033 0.000 1.119 833 Y HN 0.465 nan 8.280 nan 0.000 0.524 834 N N -0.464 118.327 118.700 0.151 0.000 2.273 834 N HA 0.038 4.779 4.740 0.002 0.000 0.231 834 N C -0.441 175.120 175.510 0.086 0.000 1.134 834 N CA -0.078 53.031 53.050 0.098 0.000 0.856 834 N CB -0.109 38.427 38.487 0.082 0.000 1.068 834 N HN 0.304 nan 8.380 nan 0.000 0.510 835 Q N 0.598 120.441 119.800 0.072 0.000 2.312 835 Q HA 0.174 4.515 4.340 0.002 0.000 0.236 835 Q C -0.296 175.730 176.000 0.043 0.000 0.965 835 Q CA -0.436 55.405 55.803 0.062 0.000 0.894 835 Q CB 0.657 29.417 28.738 0.037 0.000 1.225 835 Q HN 0.134 nan 8.270 nan 0.000 0.478 836 E N 2.027 122.249 120.200 0.037 0.000 2.252 836 E HA -0.237 4.114 4.350 0.002 0.000 0.218 836 E C -1.027 175.591 176.600 0.030 0.000 1.253 836 E CA 0.895 57.308 56.400 0.021 0.000 0.705 836 E CB -1.457 28.243 29.700 0.001 0.000 1.172 836 E HN 0.799 nan 8.360 nan 0.000 0.369 837 D N -1.395 119.033 120.400 0.047 0.000 2.775 837 D HA -0.146 4.495 4.640 0.002 0.000 0.235 837 D C -0.303 176.034 176.300 0.061 0.000 1.120 837 D CA 1.504 55.537 54.000 0.055 0.000 0.708 837 D CB -1.225 39.600 40.800 0.041 0.000 1.084 837 D HN 0.301 nan 8.370 nan 0.000 0.434 838 S N -0.823 114.916 115.700 0.064 0.000 2.677 838 S HA 0.895 5.366 4.470 0.002 0.000 0.304 838 S C -0.351 174.284 174.600 0.058 0.000 1.108 838 S CA -0.714 57.524 58.200 0.064 0.000 0.944 838 S CB 1.693 64.930 63.200 0.062 0.000 1.127 838 S HN 0.296 nan 8.310 nan 0.000 0.511 839 M N 1.353 120.974 119.600 0.035 0.000 2.520 839 M HA 0.611 5.092 4.480 0.002 0.000 0.283 839 M C -1.861 174.398 176.300 -0.070 0.000 1.237 839 M CA -0.762 54.530 55.300 -0.013 0.000 0.885 839 M CB 1.455 34.029 32.600 -0.044 0.000 1.727 839 M HN 0.387 nan 8.290 nan 0.000 0.468 840 I N 2.360 122.866 120.570 -0.106 0.000 2.359 840 I HA 0.535 4.706 4.170 0.002 0.000 0.294 840 I C -0.637 175.357 176.117 -0.205 0.000 0.987 840 I CA -0.384 60.800 61.300 -0.193 0.000 1.225 840 I CB 1.902 39.771 38.000 -0.219 0.000 1.366 840 I HN 0.785 nan 8.210 nan 0.000 0.466 841 M N 6.277 125.743 119.600 -0.224 0.000 2.393 841 M HA 0.412 4.893 4.480 0.002 0.000 0.316 841 M C -0.612 175.611 176.300 -0.129 0.000 1.087 841 M CA -0.641 54.544 55.300 -0.192 0.000 0.937 841 M CB 1.419 33.888 32.600 -0.217 0.000 1.668 841 M HN 0.461 nan 8.290 nan 0.000 0.438 842 N N 3.161 121.807 118.700 -0.089 0.000 2.406 842 N HA -0.007 4.734 4.740 0.002 0.000 0.265 842 N C 0.365 175.861 175.510 -0.022 0.000 1.203 842 N CA 0.448 53.479 53.050 -0.033 0.000 0.945 842 N CB 1.054 39.525 38.487 -0.026 0.000 1.165 842 N HN 0.804 nan 8.380 nan 0.000 0.485 843 Q N 2.661 122.464 119.800 0.004 0.000 2.084 843 Q HA -0.068 4.273 4.340 0.002 0.000 0.202 843 Q C 1.307 177.308 176.000 0.002 0.000 0.978 843 Q CA 1.694 57.500 55.803 0.006 0.000 0.844 843 Q CB -0.226 28.527 28.738 0.025 0.000 0.898 843 Q HN 0.666 nan 8.270 nan 0.000 0.426 844 S N -0.185 115.519 115.700 0.006 0.000 2.374 844 S HA -0.198 4.273 4.470 0.002 0.000 0.227 844 S C 1.921 176.512 174.600 -0.015 0.000 1.037 844 S CA 1.492 59.691 58.200 -0.003 0.000 1.024 844 S CB -0.507 62.693 63.200 -0.001 0.000 0.861 844 S HN 0.717 nan 8.310 nan 0.000 0.456 845 S N 1.064 116.750 115.700 -0.022 0.000 2.446 845 S HA 0.145 4.616 4.470 0.002 0.000 0.225 845 S C 1.763 176.339 174.600 -0.040 0.000 1.016 845 S CA 0.222 58.398 58.200 -0.040 0.000 0.943 845 S CB -0.596 62.571 63.200 -0.054 0.000 0.786 845 S HN 0.453 nan 8.310 nan 0.000 0.508 846 I N 2.817 123.371 120.570 -0.027 0.000 2.151 846 I HA -0.230 3.941 4.170 0.002 0.000 0.243 846 I C 2.063 178.177 176.117 -0.006 0.000 1.080 846 I CA 1.787 63.081 61.300 -0.010 0.000 1.339 846 I CB -0.569 37.431 38.000 -0.001 0.000 1.039 846 I HN 0.260 nan 8.210 nan 0.000 0.409 847 D N 0.896 121.293 120.400 -0.005 0.000 2.149 847 D HA -0.164 4.477 4.640 0.002 0.000 0.198 847 D C 2.074 178.379 176.300 0.008 0.000 0.990 847 D CA 1.138 55.138 54.000 0.001 0.000 0.839 847 D CB -0.387 40.413 40.800 0.001 0.000 0.948 847 D HN 0.395 nan 8.370 nan 0.000 0.460 848 R N -0.143 120.354 120.500 -0.005 0.000 2.339 848 R HA 0.151 4.492 4.340 0.002 0.000 0.199 848 R C 1.116 177.422 176.300 0.010 0.000 1.018 848 R CA 0.643 56.736 56.100 -0.011 0.000 1.036 848 R CB 0.116 30.391 30.300 -0.042 0.000 0.899 848 R HN 0.213 nan 8.270 nan 0.000 0.473 849 G N 0.904 109.728 108.800 0.041 0.000 2.143 849 G HA2 -0.210 3.751 3.960 0.002 0.000 0.175 849 G HA3 -0.210 3.751 3.960 0.002 0.000 0.175 849 G C -0.272 174.680 174.900 0.087 0.000 1.004 849 G CA -0.657 44.514 45.100 0.119 0.000 0.671 849 G HN 0.186 nan 8.290 nan 0.000 0.512 850 L N 0.956 122.178 121.223 -0.002 0.000 2.500 850 L HA 0.635 4.976 4.340 0.002 0.000 0.272 850 L C 1.028 177.931 176.870 0.054 0.000 1.149 850 L CA 0.440 55.231 54.840 -0.081 0.000 0.897 850 L CB -0.776 41.212 42.059 -0.118 0.000 1.178 850 L HN 0.478 nan 8.230 nan 0.000 0.473 851 F N 3.586 123.586 119.950 0.082 0.000 2.983 851 F HA -0.283 4.245 4.527 0.002 0.000 0.288 851 F C 0.793 176.625 175.800 0.054 0.000 0.980 851 F CA 0.228 58.301 58.000 0.122 0.000 0.965 851 F CB -0.717 38.422 39.000 0.233 0.000 0.967 851 F HN 0.571 nan 8.300 nan 0.000 0.800 852 R N 0.711 121.272 120.500 0.101 0.000 2.457 852 R HA 0.660 5.002 4.340 0.002 0.000 0.284 852 R C 0.033 176.270 176.300 -0.105 0.000 1.024 852 R CA -0.012 55.973 56.100 -0.191 0.000 1.025 852 R CB 1.849 31.716 30.300 -0.722 0.000 1.063 852 R HN 0.221 nan 8.270 nan 0.000 0.493 853 S N 2.120 117.756 115.700 -0.107 0.000 2.538 853 S HA 0.417 4.888 4.470 0.002 0.000 0.288 853 S C -0.157 174.512 174.600 0.114 0.000 1.108 853 S CA -1.025 57.223 58.200 0.080 0.000 0.971 853 S CB 1.233 64.476 63.200 0.072 0.000 1.041 853 S HN 0.378 nan 8.310 nan 0.000 0.483 854 L N 2.455 123.812 121.223 0.224 0.000 2.461 854 L HA 0.420 4.761 4.340 0.002 0.000 0.272 854 L C -0.472 176.390 176.870 -0.015 0.000 1.197 854 L CA -0.218 54.639 54.840 0.028 0.000 0.836 854 L CB 0.137 42.146 42.059 -0.084 0.000 1.105 854 L HN 0.753 nan 8.230 nan 0.000 0.477 855 F N 2.850 122.604 119.950 -0.326 0.000 2.507 855 F HA 0.546 5.075 4.527 0.002 0.000 0.328 855 F C -0.988 174.574 175.800 -0.397 0.000 1.136 855 F CA -0.760 57.097 58.000 -0.238 0.000 0.930 855 F CB 0.991 39.920 39.000 -0.118 0.000 1.166 855 F HN 0.065 nan 8.300 nan 0.000 0.436 856 F N 5.335 124.886 119.950 -0.664 0.000 2.450 856 F HA 0.662 5.190 4.527 0.001 0.000 0.332 856 F C 0.088 175.380 175.800 -0.846 0.000 1.093 856 F CA -0.739 56.945 58.000 -0.528 0.000 1.003 856 F CB 1.649 40.501 39.000 -0.245 0.000 1.151 856 F HN 0.372 nan 8.300 nan 0.000 0.474 857 R N 0.724 121.074 120.500 -0.250 0.000 2.744 857 R HA 0.685 5.026 4.340 0.002 0.000 0.279 857 R C -1.365 174.944 176.300 0.015 0.000 0.977 857 R CA -0.594 55.402 56.100 -0.173 0.000 0.906 857 R CB 2.138 32.422 30.300 -0.027 0.000 1.197 857 R HN 0.751 nan 8.270 nan 0.000 0.463 858 S N 1.848 117.508 115.700 -0.066 0.000 2.503 858 S HA 0.544 5.015 4.470 0.002 0.000 0.301 858 S C -1.626 172.953 174.600 -0.035 0.000 1.087 858 S CA -0.466 57.762 58.200 0.047 0.000 1.042 858 S CB 0.969 64.176 63.200 0.011 0.000 1.043 858 S HN 0.358 nan 8.310 nan 0.000 0.489 859 Y N 1.758 122.061 120.300 0.005 0.000 2.393 859 Y HA 0.583 5.134 4.550 0.002 0.000 0.341 859 Y C 0.166 176.077 175.900 0.018 0.000 0.988 859 Y CA -0.953 57.156 58.100 0.016 0.000 1.078 859 Y CB 1.274 39.739 38.460 0.009 0.000 1.203 859 Y HN 0.405 nan 8.280 nan 0.000 0.453 860 M N 2.970 122.679 119.600 0.182 0.000 2.508 860 M HA 0.490 4.971 4.480 0.002 0.000 0.327 860 M C -1.856 174.567 176.300 0.206 0.000 1.160 860 M CA -0.217 55.190 55.300 0.178 0.000 0.980 860 M CB 1.945 34.672 32.600 0.212 0.000 1.693 860 M HN 0.851 nan 8.290 nan 0.000 0.452 861 D N 1.617 122.158 120.400 0.236 0.000 2.655 861 D HA 0.464 5.105 4.640 0.002 0.000 0.229 861 D C -1.626 174.961 176.300 0.478 0.000 1.229 861 D CA -0.023 54.168 54.000 0.319 0.000 0.807 861 D CB 1.933 42.925 40.800 0.319 0.000 1.514 861 D HN 0.653 nan 8.370 nan 0.000 0.444 862 Q N 0.489 120.551 119.800 0.437 0.000 2.458 862 Q HA 0.525 4.866 4.340 0.002 0.000 0.282 862 Q C -0.833 175.265 176.000 0.162 0.000 1.106 862 Q CA -0.992 55.054 55.803 0.405 0.000 0.814 862 Q CB 2.294 31.183 28.738 0.253 0.000 1.425 862 Q HN 0.239 nan 8.270 nan 0.000 0.437 863 E N 1.899 122.104 120.200 0.007 0.000 2.167 863 E HA 0.208 4.559 4.350 0.002 0.000 0.284 863 E C -1.036 175.516 176.600 -0.080 0.000 1.016 863 E CA -0.415 55.859 56.400 -0.211 0.000 0.817 863 E CB 0.720 30.246 29.700 -0.289 0.000 1.080 863 E HN 0.530 nan 8.360 nan 0.000 0.397 864 K N 1.946 122.301 120.400 -0.075 0.000 0.975 864 K HA -0.331 3.990 4.320 0.002 0.000 0.771 864 K C -0.347 176.259 176.600 0.010 0.000 2.087 864 K CA 1.335 57.605 56.287 -0.028 0.000 1.461 864 K CB -0.129 32.347 32.500 -0.040 0.000 2.591 864 K HN 0.478 nan 8.250 nan 0.000 0.353 865 K N -1.265 119.160 120.400 0.042 0.000 2.424 865 K HA 0.175 4.496 4.320 0.002 0.000 0.200 865 K C -0.265 176.428 176.600 0.155 0.000 1.279 865 K CA 0.232 56.573 56.287 0.090 0.000 0.918 865 K CB 0.475 33.038 32.500 0.105 0.000 1.287 865 K HN 0.460 nan 8.250 nan 0.000 0.502 866 Y N -1.375 118.922 120.300 -0.005 0.000 2.853 866 Y HA 0.400 4.952 4.550 0.004 0.000 0.326 866 Y C -0.987 174.909 175.900 -0.007 0.000 1.384 866 Y CA 0.134 58.231 58.100 -0.005 0.000 1.077 866 Y CB 2.210 40.668 38.460 -0.004 0.000 1.395 866 Y HN 0.256 nan 8.280 nan 0.000 0.451 867 G N 1.037 109.976 108.800 0.232 0.000 2.674 867 G HA2 -0.040 3.921 3.960 0.002 0.000 0.686 867 G HA3 -0.040 3.921 3.960 0.002 0.000 0.686 867 G C -0.707 174.192 174.900 -0.002 0.000 1.195 867 G CA -0.299 44.873 45.100 0.119 0.000 0.776 867 G HN 0.494 nan 8.290 nan 0.000 0.654 868 M N 0.852 120.464 119.600 0.020 0.000 2.516 868 M HA 0.255 4.736 4.480 0.002 0.000 0.259 868 M C 1.757 178.050 176.300 -0.012 0.000 1.146 868 M CA 1.546 56.838 55.300 -0.014 0.000 1.122 868 M CB 0.523 33.128 32.600 0.007 0.000 1.341 868 M HN 1.012 nan 8.290 nan 0.000 0.478 869 S N -0.415 115.286 115.700 0.002 0.000 2.474 869 S HA 0.608 5.079 4.470 0.002 0.000 0.224 869 S C -0.067 174.533 174.600 -0.000 0.000 1.209 869 S CA -0.568 57.631 58.200 -0.002 0.000 1.212 869 S CB -0.166 63.035 63.200 0.002 0.000 1.137 869 S HN 0.199 nan 8.310 nan 0.000 0.446 870 I N 1.351 121.918 120.570 -0.005 0.000 2.606 870 I HA 0.200 4.371 4.170 0.002 0.000 0.275 870 I C -1.137 174.968 176.117 -0.020 0.000 1.220 870 I CA 0.157 61.453 61.300 -0.006 0.000 1.098 870 I CB 1.865 39.871 38.000 0.010 0.000 1.321 870 I HN 0.172 nan 8.210 nan 0.000 0.468 871 T N 3.606 118.139 114.554 -0.035 0.000 2.829 871 T HA 0.440 4.792 4.350 0.002 0.000 0.280 871 T C -0.202 174.454 174.700 -0.074 0.000 0.999 871 T CA -0.793 61.273 62.100 -0.056 0.000 0.983 871 T CB 1.917 70.748 68.868 -0.061 0.000 0.968 871 T HN 0.314 nan 8.240 nan 0.000 0.446 872 E N 1.507 121.644 120.200 -0.105 0.000 2.390 872 E HA 0.367 4.718 4.350 0.002 0.000 0.261 872 E C -0.295 176.169 176.600 -0.228 0.000 1.076 872 E CA -0.300 56.009 56.400 -0.152 0.000 0.905 872 E CB 0.640 30.235 29.700 -0.176 0.000 0.984 872 E HN 0.474 nan 8.360 nan 0.000 0.427 873 T N 1.827 116.248 114.554 -0.222 0.000 2.841 873 T HA 0.359 4.710 4.350 0.002 0.000 0.283 873 T C -0.498 174.053 174.700 -0.249 0.000 1.000 873 T CA -0.633 61.342 62.100 -0.209 0.000 0.977 873 T CB 0.420 69.243 68.868 -0.075 0.000 0.979 873 T HN 0.224 nan 8.240 nan 0.000 0.446 874 F N 3.169 123.134 119.950 0.025 0.000 2.421 874 F HA 0.441 4.966 4.527 -0.002 0.000 0.358 874 F C 1.097 176.909 175.800 0.020 0.000 1.115 874 F CA -0.497 57.518 58.000 0.025 0.000 1.160 874 F CB 0.567 39.581 39.000 0.022 0.000 1.123 874 F HN 0.635 nan 8.300 nan 0.000 0.508 875 E N 1.443 121.767 120.200 0.206 0.000 2.416 875 E HA 0.252 4.603 4.350 0.002 0.000 0.280 875 E C -1.681 174.984 176.600 0.108 0.000 1.055 875 E CA -1.403 55.067 56.400 0.117 0.000 0.825 875 E CB 1.502 31.240 29.700 0.063 0.000 1.312 875 E HN 0.384 nan 8.360 nan 0.000 0.452 876 K N 2.284 122.731 120.400 0.078 0.000 2.250 876 K HA 0.287 4.608 4.320 0.002 0.000 0.285 876 K C -2.145 174.459 176.600 0.006 0.000 1.097 876 K CA -1.732 54.603 56.287 0.080 0.000 0.913 876 K CB 0.464 33.011 32.500 0.078 0.000 1.179 876 K HN 0.333 nan 8.250 nan 0.000 0.462 877 P HA 0.114 nan 4.420 nan 0.000 0.276 877 P C -1.551 175.613 177.300 -0.227 0.000 1.244 877 P CA -0.317 62.699 63.100 -0.140 0.000 0.801 877 P CB 1.120 32.720 31.700 -0.166 0.000 1.006 878 Q N -0.713 118.996 119.800 -0.152 0.000 2.511 878 Q HA 0.549 4.890 4.340 0.002 0.000 0.289 878 Q C 0.230 176.178 176.000 -0.087 0.000 1.021 878 Q CA -1.086 54.642 55.803 -0.125 0.000 0.785 878 Q CB 0.954 29.653 28.738 -0.064 0.000 1.472 878 Q HN -0.091 nan 8.270 nan 0.000 0.411 879 R N 0.569 121.035 120.500 -0.056 0.000 3.087 879 R HA -0.244 4.097 4.340 0.002 0.000 0.699 879 R C -0.172 176.109 176.300 -0.032 0.000 0.253 879 R CA 2.460 58.542 56.100 -0.030 0.000 2.050 879 R CB -2.277 28.015 30.300 -0.013 0.000 0.651 879 R HN 1.278 nan 8.270 nan 0.000 0.660 880 T N -0.226 114.315 114.554 -0.021 0.000 3.626 880 T HA -0.212 4.139 4.350 0.002 0.000 0.393 880 T C 0.164 174.855 174.700 -0.015 0.000 0.765 880 T CA 0.950 63.039 62.100 -0.017 0.000 2.006 880 T CB -1.546 67.309 68.868 -0.020 0.000 1.739 880 T HN 0.636 nan 8.240 nan 0.000 0.720 881 N N -2.528 116.166 118.700 -0.010 0.000 2.972 881 N HA -0.248 4.493 4.740 0.002 0.000 0.225 881 N C 1.248 176.755 175.510 -0.005 0.000 0.883 881 N CA 1.872 54.919 53.050 -0.005 0.000 1.010 881 N CB -1.543 36.941 38.487 -0.005 0.000 1.052 881 N HN 0.802 nan 8.380 nan 0.000 0.598 882 T N 0.463 115.011 114.554 -0.010 0.000 2.706 882 T HA 0.117 4.468 4.350 0.002 0.000 0.255 882 T C 1.308 176.007 174.700 -0.002 0.000 1.048 882 T CA 1.692 63.786 62.100 -0.010 0.000 1.153 882 T CB -0.010 68.845 68.868 -0.022 0.000 0.865 882 T HN 0.363 nan 8.240 nan 0.000 0.414 883 L N 0.251 121.474 121.223 -0.001 0.000 3.717 883 L HA -0.141 4.200 4.340 0.002 0.000 0.414 883 L C 0.147 177.028 176.870 0.019 0.000 1.228 883 L CA 0.094 54.943 54.840 0.016 0.000 0.918 883 L CB -1.442 40.629 42.059 0.019 0.000 1.865 883 L HN 0.337 nan 8.230 nan 0.000 0.922 884 R N -0.186 120.317 120.500 0.006 0.000 2.834 884 R HA 0.530 4.871 4.340 0.002 0.000 0.362 884 R C 0.201 176.508 176.300 0.011 0.000 1.147 884 R CA -0.039 56.069 56.100 0.013 0.000 1.125 884 R CB 0.611 30.917 30.300 0.011 0.000 1.361 884 R HN 0.395 nan 8.270 nan 0.000 0.598 885 M N -0.806 118.797 119.600 0.004 0.000 2.492 885 M HA 0.296 4.777 4.480 0.002 0.000 0.238 885 M C 1.050 177.382 176.300 0.053 0.000 0.928 885 M CA -0.272 55.019 55.300 -0.015 0.000 1.392 885 M CB 0.831 33.291 32.600 -0.233 0.000 1.317 885 M HN -0.254 nan 8.290 nan 0.000 0.739 886 K N -0.771 119.665 120.400 0.060 0.000 2.161 886 K HA 0.175 4.496 4.320 0.002 0.000 0.205 886 K C 0.223 176.938 176.600 0.191 0.000 1.035 886 K CA 0.748 57.101 56.287 0.111 0.000 0.970 886 K CB -0.020 32.519 32.500 0.065 0.000 0.866 886 K HN 0.415 nan 8.250 nan 0.000 0.461 887 H N 0.102 119.256 119.070 0.140 0.000 2.836 887 H HA 0.195 4.752 4.556 0.002 0.000 0.368 887 H C 0.251 175.613 175.328 0.057 0.000 1.164 887 H CA 0.649 56.792 56.048 0.159 0.000 1.425 887 H CB 0.244 30.109 29.762 0.171 0.000 1.414 887 H HN 0.493 nan 8.280 nan 0.000 0.614 888 G N 2.318 111.185 108.800 0.111 0.000 2.686 888 G HA2 -0.234 3.727 3.960 0.002 0.000 0.211 888 G HA3 -0.234 3.727 3.960 0.002 0.000 0.211 888 G C 0.224 175.146 174.900 0.037 0.000 0.829 888 G CA 0.101 45.195 45.100 -0.010 0.000 0.993 888 G HN 0.848 nan 8.290 nan 0.000 0.330 889 T N 0.824 115.412 114.554 0.057 0.000 2.901 889 T HA 0.403 4.754 4.350 0.002 0.000 0.301 889 T C 1.014 175.709 174.700 -0.008 0.000 1.012 889 T CA -0.192 62.002 62.100 0.157 0.000 1.135 889 T CB 1.159 70.103 68.868 0.127 0.000 0.936 889 T HN 0.385 nan 8.240 nan 0.000 0.539 890 Y N 0.080 120.413 120.300 0.056 0.000 2.546 890 Y HA 0.099 4.650 4.550 0.001 0.000 0.287 890 Y C 1.813 177.724 175.900 0.018 0.000 1.158 890 Y CA -0.211 57.897 58.100 0.014 0.000 1.307 890 Y CB -0.213 38.246 38.460 -0.002 0.000 1.036 890 Y HN 0.639 nan 8.280 nan 0.000 0.532 891 D N 0.431 120.921 120.400 0.150 0.000 2.400 891 D HA -0.093 4.548 4.640 0.002 0.000 0.242 891 D C 0.883 177.213 176.300 0.049 0.000 1.077 891 D CA 0.818 54.876 54.000 0.096 0.000 0.943 891 D CB -0.054 40.794 40.800 0.081 0.000 0.882 891 D HN 0.464 nan 8.370 nan 0.000 0.529 892 K N -0.213 120.204 120.400 0.027 0.000 2.387 892 K HA 0.217 4.538 4.320 0.002 0.000 0.203 892 K C 0.554 177.155 176.600 0.002 0.000 1.030 892 K CA -0.118 56.169 56.287 0.001 0.000 1.099 892 K CB 1.253 33.737 32.500 -0.027 0.000 0.863 892 K HN 0.021 nan 8.250 nan 0.000 0.529 893 L N 1.488 122.731 121.223 0.032 0.000 2.357 893 L HA 0.250 4.591 4.340 0.002 0.000 0.273 893 L C 0.124 177.016 176.870 0.036 0.000 1.080 893 L CA -0.601 54.261 54.840 0.037 0.000 0.803 893 L CB 0.863 42.974 42.059 0.087 0.000 1.174 893 L HN 0.012 nan 8.230 nan 0.000 0.443 894 D N 0.043 120.456 120.400 0.022 0.000 2.539 894 D HA 0.020 4.662 4.640 0.002 0.000 0.276 894 D C 0.600 176.918 176.300 0.029 0.000 1.206 894 D CA -0.428 53.584 54.000 0.019 0.000 1.081 894 D CB 0.653 41.456 40.800 0.004 0.000 1.142 894 D HN 0.481 nan 8.370 nan 0.000 0.595 895 D N 0.043 120.458 120.400 0.024 0.000 2.149 895 D HA -0.195 4.446 4.640 0.002 0.000 0.194 895 D C 0.829 177.153 176.300 0.039 0.000 1.001 895 D CA 1.258 55.274 54.000 0.028 0.000 0.849 895 D CB -0.089 40.723 40.800 0.021 0.000 0.939 895 D HN 0.420 nan 8.370 nan 0.000 0.449 896 D N -1.457 118.965 120.400 0.036 0.000 2.336 896 D HA 0.130 4.771 4.640 0.002 0.000 0.229 896 D C 1.370 177.714 176.300 0.074 0.000 1.061 896 D CA 0.859 54.890 54.000 0.052 0.000 0.875 896 D CB -0.527 40.288 40.800 0.025 0.000 0.904 896 D HN 0.244 nan 8.370 nan 0.000 0.525 897 G N -0.105 108.737 108.800 0.070 0.000 2.176 897 G HA2 -0.237 3.725 3.960 0.002 0.000 0.252 897 G HA3 -0.237 3.725 3.960 0.002 0.000 0.252 897 G C -0.228 174.677 174.900 0.008 0.000 1.024 897 G CA 0.465 45.616 45.100 0.085 0.000 0.755 897 G HN 0.436 nan 8.290 nan 0.000 0.507 898 L N -0.329 120.877 121.223 -0.029 0.000 2.422 898 L HA 0.633 4.974 4.340 0.002 0.000 0.264 898 L C 0.782 177.616 176.870 -0.059 0.000 0.984 898 L CA -1.484 53.309 54.840 -0.079 0.000 0.819 898 L CB 1.866 43.848 42.059 -0.129 0.000 1.330 898 L HN 0.078 nan 8.230 nan 0.000 0.410 899 I N 1.319 121.845 120.570 -0.074 0.000 2.696 899 I HA 0.446 4.617 4.170 0.002 0.000 0.284 899 I C 0.598 176.682 176.117 -0.055 0.000 1.129 899 I CA -0.216 61.048 61.300 -0.060 0.000 1.410 899 I CB 0.884 38.840 38.000 -0.073 0.000 1.399 899 I HN 0.641 nan 8.210 nan 0.000 0.579 900 A N 6.023 128.820 122.820 -0.039 0.000 2.303 900 A HA 0.658 4.979 4.320 0.002 0.000 0.317 900 A C -2.348 175.220 177.584 -0.027 0.000 1.149 900 A CA -1.750 50.267 52.037 -0.033 0.000 0.822 900 A CB 0.085 19.070 19.000 -0.024 0.000 1.131 900 A HN 0.469 nan 8.150 nan 0.000 0.493 901 P HA 0.094 nan 4.420 nan 0.000 0.267 901 P C 1.217 178.513 177.300 -0.007 0.000 1.175 901 P CA 2.388 65.482 63.100 -0.010 0.000 0.763 901 P CB 0.407 32.103 31.700 -0.007 0.000 0.795 902 G N 0.235 109.035 108.800 -0.000 0.000 2.527 902 G HA2 -0.260 3.702 3.960 0.002 0.000 0.218 902 G HA3 -0.260 3.702 3.960 0.002 0.000 0.218 902 G C 0.087 174.985 174.900 -0.004 0.000 1.177 902 G CA 0.034 45.134 45.100 -0.001 0.000 0.695 902 G HN 0.599 nan 8.290 nan 0.000 0.517 903 V N 3.729 123.637 119.914 -0.010 0.000 2.599 903 V HA 0.282 4.403 4.120 0.002 0.000 0.300 903 V C 1.278 177.363 176.094 -0.014 0.000 1.034 903 V CA 0.245 62.538 62.300 -0.013 0.000 1.115 903 V CB 0.751 32.562 31.823 -0.021 0.000 0.934 903 V HN 0.505 nan 8.190 nan 0.000 0.485 904 R N 3.653 124.146 120.500 -0.011 0.000 2.539 904 R HA 0.602 4.943 4.340 0.002 0.000 0.275 904 R C -0.595 175.693 176.300 -0.020 0.000 1.077 904 R CA -0.429 55.665 56.100 -0.011 0.000 1.097 904 R CB 0.990 31.288 30.300 -0.005 0.000 1.018 904 R HN 0.649 nan 8.270 nan 0.000 0.483 905 V N -1.605 118.296 119.914 -0.022 0.000 2.925 905 V HA 0.840 4.961 4.120 0.002 0.000 0.311 905 V C -0.624 175.456 176.094 -0.023 0.000 1.104 905 V CA -0.846 61.433 62.300 -0.036 0.000 0.954 905 V CB 2.071 33.856 31.823 -0.064 0.000 1.022 905 V HN 0.994 nan 8.190 nan 0.000 0.427 906 S N 0.597 116.282 115.700 -0.025 0.000 2.586 906 S HA 0.920 5.391 4.470 0.002 0.000 0.277 906 S C 0.091 174.683 174.600 -0.014 0.000 1.131 906 S CA 0.333 58.527 58.200 -0.011 0.000 0.848 906 S CB 0.920 64.118 63.200 -0.002 0.000 1.091 906 S HN 2.915 nan 8.310 nan 0.000 0.453 907 G N 1.759 110.557 108.800 -0.003 0.000 2.496 907 G HA2 -0.167 3.795 3.960 0.002 0.000 0.243 907 G HA3 -0.167 3.795 3.960 0.002 0.000 0.243 907 G C -0.345 174.550 174.900 -0.008 0.000 1.176 907 G CA 0.188 45.288 45.100 -0.001 0.000 0.940 907 G HN 0.995 nan 8.290 nan 0.000 0.573 908 E N 1.637 121.829 120.200 -0.013 0.000 2.338 908 E HA 0.314 4.665 4.350 0.002 0.000 0.231 908 E C -0.464 176.091 176.600 -0.075 0.000 1.231 908 E CA -0.263 56.120 56.400 -0.027 0.000 1.490 908 E CB 0.087 29.783 29.700 -0.007 0.000 1.360 908 E HN 0.375 nan 8.360 nan 0.000 0.435 909 D N 0.327 120.673 120.400 -0.089 0.000 2.400 909 D HA -0.010 4.631 4.640 0.002 0.000 0.238 909 D C -0.170 176.000 176.300 -0.215 0.000 1.157 909 D CA 0.014 53.928 54.000 -0.143 0.000 0.889 909 D CB 1.106 41.838 40.800 -0.113 0.000 1.199 909 D HN -0.109 nan 8.370 nan 0.000 0.436 910 V N 3.579 123.296 119.914 -0.328 0.000 2.408 910 V HA 0.111 4.232 4.120 0.002 0.000 0.267 910 V C 1.409 177.355 176.094 -0.247 0.000 1.047 910 V CA -0.149 61.929 62.300 -0.369 0.000 0.937 910 V CB 0.570 31.958 31.823 -0.725 0.000 0.999 910 V HN 0.439 nan 8.190 nan 0.000 0.472 911 I N 4.583 125.017 120.570 -0.226 0.000 2.270 911 I HA 0.101 4.272 4.170 0.002 0.000 0.239 911 I C 0.602 176.623 176.117 -0.159 0.000 1.080 911 I CA 1.032 62.196 61.300 -0.226 0.000 1.383 911 I CB 0.155 37.931 38.000 -0.374 0.000 1.097 911 I HN 0.403 nan 8.210 nan 0.000 0.420 912 I N 0.779 121.277 120.570 -0.120 0.000 2.385 912 I HA 0.371 4.542 4.170 0.002 0.000 0.294 912 I C 0.374 176.519 176.117 0.048 0.000 0.988 912 I CA -0.295 60.971 61.300 -0.056 0.000 1.265 912 I CB 1.337 39.314 38.000 -0.038 0.000 1.388 912 I HN 0.006 nan 8.210 nan 0.000 0.480 913 G N 5.160 114.033 108.800 0.121 0.000 2.384 913 G HA2 0.540 4.501 3.960 0.002 0.000 0.316 913 G HA3 0.540 4.501 3.960 0.002 0.000 0.316 913 G C -0.919 174.160 174.900 0.298 0.000 1.160 913 G CA -0.439 44.795 45.100 0.224 0.000 0.936 913 G HN 0.562 nan 8.290 nan 0.000 0.455 914 K N 1.346 121.894 120.400 0.247 0.000 2.464 914 K HA 0.644 4.965 4.320 0.002 0.000 0.253 914 K C -0.327 176.311 176.600 0.063 0.000 0.933 914 K CA -0.625 55.763 56.287 0.169 0.000 0.801 914 K CB 2.143 34.735 32.500 0.154 0.000 1.271 914 K HN 0.596 nan 8.250 nan 0.000 0.430 915 T N -1.037 113.517 114.554 0.001 0.000 2.950 915 T HA 0.395 4.746 4.350 0.002 0.000 0.288 915 T C -0.461 174.213 174.700 -0.043 0.000 1.035 915 T CA -0.633 61.458 62.100 -0.014 0.000 1.028 915 T CB 1.692 70.549 68.868 -0.018 0.000 1.109 915 T HN 0.448 nan 8.240 nan 0.000 0.514 916 T N 2.700 117.238 114.554 -0.027 0.000 2.833 916 T HA 0.529 4.880 4.350 0.002 0.000 0.297 916 T C -2.880 171.808 174.700 -0.019 0.000 1.015 916 T CA -2.035 60.047 62.100 -0.029 0.000 0.963 916 T CB 0.940 69.798 68.868 -0.017 0.000 0.955 916 T HN 0.574 nan 8.240 nan 0.000 0.449 917 P HA 0.305 nan 4.420 nan 0.000 0.271 917 P C -0.762 176.533 177.300 -0.009 0.000 1.233 917 P CA -0.384 62.707 63.100 -0.015 0.000 0.764 917 P CB 0.439 32.128 31.700 -0.017 0.000 0.825 918 I N 2.252 122.818 120.570 -0.005 0.000 2.608 918 I HA 0.396 4.567 4.170 0.002 0.000 0.295 918 I C 0.768 176.885 176.117 -0.001 0.000 1.049 918 I CA -0.614 60.685 61.300 -0.001 0.000 1.063 918 I CB 1.920 39.921 38.000 0.001 0.000 1.248 918 I HN 0.407 nan 8.210 nan 0.000 0.424 934 K N 1.245 121.636 120.400 -0.015 0.000 2.285 934 K HA 0.429 4.750 4.320 0.002 0.000 0.286 934 K C -0.155 176.434 176.600 -0.017 0.000 1.072 934 K CA -0.362 55.914 56.287 -0.018 0.000 0.913 934 K CB 1.075 33.561 32.500 -0.024 0.000 1.067 934 K HN 0.455 nan 8.250 nan 0.000 0.479 935 R N 2.394 122.888 120.500 -0.011 0.000 2.390 935 R HA 0.020 4.361 4.340 0.002 0.000 0.291 935 R C -0.475 175.824 176.300 -0.003 0.000 1.070 935 R CA -0.454 55.643 56.100 -0.006 0.000 1.014 935 R CB 0.654 30.955 30.300 0.002 0.000 1.007 935 R HN 0.587 nan 8.270 nan 0.000 0.466 936 D N 2.380 122.780 120.400 0.000 0.000 2.372 936 D HA 0.214 4.855 4.640 0.002 0.000 0.243 936 D C -0.569 175.756 176.300 0.041 0.000 1.121 936 D CA 0.215 54.225 54.000 0.016 0.000 0.898 936 D CB 1.345 42.153 40.800 0.014 0.000 1.202 936 D HN 0.589 nan 8.370 nan 0.000 0.428 937 A N 2.089 124.948 122.820 0.065 0.000 2.524 937 A HA 0.272 4.593 4.320 0.002 0.000 0.267 937 A C 0.129 177.778 177.584 0.109 0.000 0.881 937 A CA -0.489 51.592 52.037 0.073 0.000 1.077 937 A CB -0.089 18.941 19.000 0.051 0.000 1.220 937 A HN 0.376 nan 8.150 nan 0.000 0.488 938 S N 0.702 116.482 115.700 0.134 0.000 2.593 938 S HA 0.424 4.896 4.470 0.002 0.000 0.269 938 S C 0.311 174.962 174.600 0.086 0.000 1.334 938 S CA 0.370 58.659 58.200 0.148 0.000 1.015 938 S CB 0.719 64.063 63.200 0.240 0.000 0.912 938 S HN 0.425 nan 8.310 nan 0.000 0.541 939 T N 4.842 119.427 114.554 0.051 0.000 2.821 939 T HA 0.402 4.753 4.350 0.002 0.000 0.307 939 T C -2.417 172.256 174.700 -0.046 0.000 1.034 939 T CA -1.162 60.960 62.100 0.036 0.000 0.953 939 T CB 1.226 70.138 68.868 0.074 0.000 0.968 939 T HN 0.393 nan 8.240 nan 0.000 0.462 940 P HA 0.304 nan 4.420 nan 0.000 0.276 940 P C -0.217 177.045 177.300 -0.063 0.000 1.252 940 P CA -0.804 62.244 63.100 -0.087 0.000 0.802 940 P CB 0.999 32.669 31.700 -0.051 0.000 1.035 941 L N 1.623 122.784 121.223 -0.103 0.000 2.453 941 L HA 0.247 4.589 4.340 0.002 0.000 0.261 941 L C 0.667 177.593 176.870 0.093 0.000 1.179 941 L CA -0.459 54.333 54.840 -0.080 0.000 0.813 941 L CB 0.119 42.108 42.059 -0.118 0.000 1.110 941 L HN 0.194 nan 8.230 nan 0.000 0.466 942 R N 2.029 122.677 120.500 0.246 0.000 2.614 942 R HA -0.069 4.272 4.340 0.002 0.000 0.335 942 R C 1.338 177.689 176.300 0.086 0.000 0.859 942 R CA 0.845 57.047 56.100 0.169 0.000 1.123 942 R CB -0.703 29.708 30.300 0.185 0.000 0.887 942 R HN 0.826 nan 8.270 nan 0.000 0.407 943 S N 0.484 116.217 115.700 0.055 0.000 2.584 943 S HA -0.159 4.312 4.470 0.002 0.000 0.240 943 S C 1.475 176.091 174.600 0.027 0.000 0.975 943 S CA 1.285 59.505 58.200 0.032 0.000 0.949 943 S CB -0.072 63.144 63.200 0.026 0.000 0.761 943 S HN 0.707 nan 8.310 nan 0.000 0.536 944 T N -1.638 112.933 114.554 0.028 0.000 2.959 944 T HA 0.305 4.656 4.350 0.002 0.000 0.254 944 T C 0.232 174.941 174.700 0.015 0.000 1.003 944 T CA -0.421 61.689 62.100 0.017 0.000 0.950 944 T CB 0.038 68.909 68.868 0.004 0.000 1.090 944 T HN 0.403 nan 8.240 nan 0.000 0.503 945 E N 2.293 122.514 120.200 0.036 0.000 2.280 945 E HA 0.501 4.852 4.350 0.002 0.000 0.264 945 E C -0.415 176.213 176.600 0.046 0.000 1.064 945 E CA -0.778 55.649 56.400 0.047 0.000 0.900 945 E CB 0.707 30.474 29.700 0.111 0.000 1.123 945 E HN 0.619 nan 8.360 nan 0.000 0.418 946 N N -0.020 118.706 118.700 0.044 0.000 2.710 946 N HA 0.558 5.299 4.740 0.002 0.000 0.257 946 N C -0.790 174.745 175.510 0.041 0.000 1.327 946 N CA -0.566 52.503 53.050 0.033 0.000 0.861 946 N CB 1.840 40.335 38.487 0.014 0.000 1.532 946 N HN 0.600 nan 8.380 nan 0.000 0.499 947 G N -0.033 108.784 108.800 0.030 0.000 2.435 947 G HA2 0.474 4.435 3.960 0.002 0.000 0.296 947 G HA3 0.474 4.435 3.960 0.002 0.000 0.296 947 G C -1.852 173.055 174.900 0.012 0.000 1.240 947 G CA -0.706 44.412 45.100 0.030 0.000 0.872 947 G HN 0.549 nan 8.290 nan 0.000 0.480 948 I N 0.442 121.018 120.570 0.009 0.000 2.608 948 I HA 0.422 4.593 4.170 0.002 0.000 0.295 948 I C 0.093 176.216 176.117 0.009 0.000 1.049 948 I CA -1.117 60.186 61.300 0.004 0.000 1.063 948 I CB 2.375 40.379 38.000 0.006 0.000 1.248 948 I HN 0.253 nan 8.210 nan 0.000 0.424 949 V N 4.519 124.431 119.914 -0.003 0.000 2.655 949 V HA -0.031 4.090 4.120 0.002 0.000 0.300 949 V C 0.350 176.457 176.094 0.022 0.000 1.044 949 V CA 0.533 62.832 62.300 -0.002 0.000 1.095 949 V CB 1.093 32.899 31.823 -0.029 0.000 0.952 949 V HN 0.865 nan 8.190 nan 0.000 0.485 950 D N 2.295 122.724 120.400 0.049 0.000 2.840 950 D HA 0.153 4.795 4.640 0.002 0.000 0.277 950 D C 0.528 176.861 176.300 0.055 0.000 1.066 950 D CA 0.570 54.619 54.000 0.081 0.000 0.979 950 D CB 0.641 41.547 40.800 0.176 0.000 1.157 950 D HN 0.687 nan 8.370 nan 0.000 0.466 951 Q N -0.134 119.691 119.800 0.042 0.000 2.389 951 Q HA 0.598 4.939 4.340 0.002 0.000 0.277 951 Q C -1.679 174.311 176.000 -0.016 0.000 1.082 951 Q CA -0.944 54.862 55.803 0.005 0.000 0.810 951 Q CB 3.542 32.279 28.738 -0.002 0.000 1.374 951 Q HN -0.069 nan 8.270 nan 0.000 0.422 952 V N 2.340 122.229 119.914 -0.042 0.000 2.540 952 V HA 0.489 4.610 4.120 0.002 0.000 0.302 952 V C -1.082 174.958 176.094 -0.091 0.000 1.035 952 V CA -0.747 61.508 62.300 -0.075 0.000 0.873 952 V CB 1.747 33.516 31.823 -0.090 0.000 0.992 952 V HN 0.578 nan 8.190 nan 0.000 0.428 953 L N 5.959 127.107 121.223 -0.125 0.000 2.313 953 L HA 0.736 5.078 4.340 0.002 0.000 0.283 953 L C -0.708 176.032 176.870 -0.217 0.000 1.013 953 L CA -0.078 54.676 54.840 -0.143 0.000 0.816 953 L CB 1.795 43.773 42.059 -0.136 0.000 1.236 953 L HN 0.489 nan 8.230 nan 0.000 0.419 954 V N 3.881 123.694 119.914 -0.169 0.000 2.325 954 V HA 0.685 4.806 4.120 0.002 0.000 0.280 954 V C -0.143 175.891 176.094 -0.100 0.000 1.016 954 V CA -0.298 61.902 62.300 -0.168 0.000 0.818 954 V CB 0.944 32.700 31.823 -0.112 0.000 1.019 954 V HN 0.883 nan 8.190 nan 0.000 0.434 955 T N 1.784 116.272 114.554 -0.110 0.000 2.804 955 T HA 0.585 4.936 4.350 0.002 0.000 0.290 955 T C -0.409 174.395 174.700 0.174 0.000 1.099 955 T CA -0.567 61.551 62.100 0.030 0.000 1.011 955 T CB 2.326 71.238 68.868 0.074 0.000 1.291 955 T HN 0.563 nan 8.240 nan 0.000 0.523 956 T N 0.649 115.347 114.554 0.240 0.000 2.942 956 T HA 0.585 4.936 4.350 0.002 0.000 0.289 956 T C -0.540 174.315 174.700 0.259 0.000 1.044 956 T CA -0.645 61.614 62.100 0.264 0.000 1.023 956 T CB 1.314 70.263 68.868 0.136 0.000 1.123 956 T HN 0.575 nan 8.240 nan 0.000 0.512 957 N N 0.933 119.720 118.700 0.145 0.000 2.476 957 N HA 0.251 4.992 4.740 0.002 0.000 0.275 957 N C 1.119 176.632 175.510 0.004 0.000 1.190 957 N CA -0.266 52.775 53.050 -0.015 0.000 0.977 957 N CB 1.133 39.549 38.487 -0.117 0.000 1.200 957 N HN 0.702 nan 8.380 nan 0.000 0.515 958 Q N -0.045 119.746 119.800 -0.015 0.000 2.248 958 Q HA -0.204 4.137 4.340 0.002 0.000 0.208 958 Q C 0.107 176.111 176.000 0.006 0.000 0.984 958 Q CA 1.585 57.395 55.803 0.012 0.000 0.875 958 Q CB 0.049 28.798 28.738 0.017 0.000 0.910 958 Q HN 0.635 nan 8.270 nan 0.000 0.433 959 D N -1.197 119.198 120.400 -0.009 0.000 2.355 959 D HA 0.039 4.680 4.640 0.002 0.000 0.218 959 D C 0.312 176.604 176.300 -0.012 0.000 1.004 959 D CA 1.008 55.000 54.000 -0.014 0.000 0.880 959 D CB 0.225 41.010 40.800 -0.025 0.000 0.911 959 D HN 0.463 nan 8.370 nan 0.000 0.528 960 G N 1.187 109.990 108.800 0.006 0.000 2.401 960 G HA2 -0.234 3.727 3.960 0.002 0.000 0.283 960 G HA3 -0.234 3.727 3.960 0.002 0.000 0.283 960 G C -0.249 174.668 174.900 0.027 0.000 1.117 960 G CA -0.115 44.996 45.100 0.019 0.000 1.051 960 G HN 0.273 nan 8.290 nan 0.000 0.510 961 L N 0.169 121.427 121.223 0.059 0.000 2.349 961 L HA 0.481 4.822 4.340 0.002 0.000 0.278 961 L C 0.772 177.764 176.870 0.202 0.000 0.996 961 L CA -1.052 53.844 54.840 0.094 0.000 0.825 961 L CB 1.961 44.063 42.059 0.071 0.000 1.243 961 L HN 0.197 nan 8.230 nan 0.000 0.412 962 K N 4.425 124.943 120.400 0.198 0.000 2.402 962 K HA 0.127 4.448 4.320 0.002 0.000 0.279 962 K C -1.037 175.819 176.600 0.427 0.000 1.082 962 K CA 0.244 56.690 56.287 0.265 0.000 1.080 962 K CB 0.128 32.772 32.500 0.239 0.000 0.899 962 K HN 0.524 nan 8.250 nan 0.000 0.469 963 F N 2.620 122.681 119.950 0.184 0.000 2.603 963 F HA 0.632 5.159 4.527 0.001 0.000 0.317 963 F C -1.664 174.182 175.800 0.076 0.000 1.066 963 F CA -1.159 56.959 58.000 0.195 0.000 0.941 963 F CB 1.522 40.609 39.000 0.145 0.000 1.291 963 F HN 0.085 nan 8.300 nan 0.000 0.472 964 V N 3.271 122.887 119.914 -0.496 0.000 2.760 964 V HA 0.550 4.671 4.120 0.002 0.000 0.309 964 V C -1.608 174.250 176.094 -0.393 0.000 1.077 964 V CA -0.646 61.335 62.300 -0.533 0.000 0.910 964 V CB 2.154 33.679 31.823 -0.497 0.000 1.008 964 V HN 0.942 nan 8.190 nan 0.000 0.424 965 K N 4.956 125.151 120.400 -0.343 0.000 2.292 965 K HA 0.756 5.077 4.320 0.002 0.000 0.257 965 K C -1.579 174.974 176.600 -0.079 0.000 0.940 965 K CA -0.698 55.509 56.287 -0.135 0.000 0.811 965 K CB 2.325 34.765 32.500 -0.100 0.000 1.120 965 K HN 0.561 nan 8.250 nan 0.000 0.428 966 V N 3.528 123.449 119.914 0.011 0.000 2.409 966 V HA 0.366 4.487 4.120 0.002 0.000 0.290 966 V C -0.319 175.841 176.094 0.110 0.000 1.017 966 V CA -1.004 61.302 62.300 0.010 0.000 0.841 966 V CB 1.256 33.047 31.823 -0.053 0.000 1.003 966 V HN 0.760 nan 8.190 nan 0.000 0.426 967 R N 3.987 124.539 120.500 0.087 0.000 2.474 967 R HA 0.856 5.197 4.340 0.002 0.000 0.295 967 R C -1.668 174.720 176.300 0.145 0.000 0.980 967 R CA -0.488 55.700 56.100 0.147 0.000 0.934 967 R CB 2.050 32.424 30.300 0.123 0.000 1.101 967 R HN 0.404 nan 8.270 nan 0.000 0.469 968 V N 3.855 123.876 119.914 0.178 0.000 2.540 968 V HA 0.507 4.628 4.120 0.002 0.000 0.302 968 V C -0.193 175.941 176.094 0.067 0.000 1.035 968 V CA -0.919 61.453 62.300 0.120 0.000 0.873 968 V CB 1.556 33.461 31.823 0.135 0.000 0.992 968 V HN 0.745 nan 8.190 nan 0.000 0.428 969 R N 2.257 122.757 120.500 -0.001 0.000 2.514 969 R HA 0.777 5.118 4.340 0.002 0.000 0.301 969 R C -1.203 175.028 176.300 -0.114 0.000 0.962 969 R CA -0.138 55.843 56.100 -0.198 0.000 0.882 969 R CB 1.975 32.185 30.300 -0.149 0.000 1.143 969 R HN 0.851 nan 8.270 nan 0.000 0.452 970 T N 1.678 116.148 114.554 -0.139 0.000 2.982 970 T HA 0.197 4.548 4.350 0.002 0.000 0.321 970 T C -0.998 173.688 174.700 -0.022 0.000 1.229 970 T CA -0.483 61.602 62.100 -0.025 0.000 1.044 970 T CB 1.893 70.795 68.868 0.057 0.000 1.184 970 T HN 0.404 nan 8.240 nan 0.000 0.477 971 T N 4.346 118.902 114.554 0.003 0.000 2.723 971 T HA 0.240 4.591 4.350 0.002 0.000 0.297 971 T C 0.133 174.812 174.700 -0.035 0.000 0.925 971 T CA -0.632 61.474 62.100 0.010 0.000 1.030 971 T CB 0.143 69.035 68.868 0.041 0.000 0.905 971 T HN 0.213 nan 8.240 nan 0.000 0.502 972 K N 4.400 124.776 120.400 -0.042 0.000 2.316 972 K HA 0.329 4.650 4.320 0.002 0.000 0.289 972 K C -0.092 176.462 176.600 -0.077 0.000 1.070 972 K CA -0.149 56.101 56.287 -0.061 0.000 0.928 972 K CB 1.071 33.531 32.500 -0.067 0.000 1.039 972 K HN 0.584 nan 8.250 nan 0.000 0.480 973 I N 5.996 126.529 120.570 -0.061 0.000 2.331 973 I HA 0.138 4.309 4.170 0.002 0.000 0.292 973 I C -1.741 174.381 176.117 0.008 0.000 0.998 973 I CA -2.322 58.951 61.300 -0.046 0.000 1.267 973 I CB 1.536 39.509 38.000 -0.045 0.000 1.386 973 I HN 0.286 nan 8.210 nan 0.000 0.476 974 P HA 0.037 nan 4.420 nan 0.000 0.264 974 P C -0.943 176.417 177.300 0.100 0.000 1.193 974 P CA 0.174 63.362 63.100 0.148 0.000 0.763 974 P CB 1.357 33.222 31.700 0.276 0.000 0.810 975 Q N 1.780 121.638 119.800 0.097 0.000 3.375 975 Q HA 0.306 4.647 4.340 0.002 0.000 0.295 975 Q C 0.878 176.914 176.000 0.060 0.000 0.996 975 Q CA -0.788 55.046 55.803 0.052 0.000 0.801 975 Q CB 0.989 29.741 28.738 0.024 0.000 2.066 975 Q HN 0.205 nan 8.270 nan 0.000 0.424 976 I N -0.187 120.405 120.570 0.037 0.000 2.206 976 I HA 0.072 4.243 4.170 0.002 0.000 0.239 976 I C 1.471 177.618 176.117 0.050 0.000 1.078 976 I CA 1.938 63.258 61.300 0.033 0.000 1.367 976 I CB -0.298 37.716 38.000 0.023 0.000 1.078 976 I HN 0.665 nan 8.210 nan 0.000 0.413 977 G N -0.009 108.817 108.800 0.043 0.000 3.371 977 G HA2 0.041 4.002 3.960 0.002 0.000 0.248 977 G HA3 0.041 4.002 3.960 0.002 0.000 0.248 977 G C -0.082 174.842 174.900 0.040 0.000 1.161 977 G CA -0.264 44.861 45.100 0.042 0.000 0.796 977 G HN 0.253 nan 8.290 nan 0.000 0.539 978 D N 0.668 121.107 120.400 0.066 0.000 2.423 978 D HA 0.217 4.858 4.640 0.002 0.000 0.238 978 D C 0.272 176.590 176.300 0.029 0.000 1.142 978 D CA 0.564 54.576 54.000 0.020 0.000 0.884 978 D CB 1.315 42.154 40.800 0.066 0.000 1.199 978 D HN 0.084 nan 8.370 nan 0.000 0.438 979 K N 1.608 121.820 120.400 -0.314 0.000 2.244 979 K HA 0.462 4.784 4.320 0.002 0.000 0.260 979 K C -1.395 174.893 176.600 -0.520 0.000 0.951 979 K CA -0.552 55.610 56.287 -0.208 0.000 0.826 979 K CB 0.724 33.147 32.500 -0.128 0.000 1.108 979 K HN 0.201 nan 8.250 nan 0.000 0.433 980 F N 0.957 120.893 119.950 -0.022 0.000 2.603 980 F HA 0.648 5.176 4.527 0.002 0.000 0.317 980 F C -0.336 175.514 175.800 0.084 0.000 1.066 980 F CA -0.849 57.142 58.000 -0.015 0.000 0.941 980 F CB 2.300 41.272 39.000 -0.046 0.000 1.291 980 F HN 0.517 nan 8.300 nan 0.000 0.472 981 A N 0.884 123.827 122.820 0.206 0.000 2.422 981 A HA 0.676 4.997 4.320 0.002 0.000 0.302 981 A C -0.324 176.999 177.584 -0.436 0.000 1.041 981 A CA -0.517 51.512 52.037 -0.014 0.000 0.708 981 A CB 1.218 20.193 19.000 -0.042 0.000 1.257 981 A HN 0.867 nan 8.150 nan 0.000 0.414 982 S N 1.541 116.723 115.700 -0.864 0.000 2.617 982 S HA 0.306 4.777 4.470 0.002 0.000 0.255 982 S C 0.520 174.965 174.600 -0.259 0.000 1.318 982 S CA 0.076 57.869 58.200 -0.680 0.000 0.978 982 S CB 0.395 63.384 63.200 -0.351 0.000 0.961 982 S HN 0.634 nan 8.310 nan 0.000 0.582 983 R N -0.413 119.927 120.500 -0.267 0.000 2.515 983 R HA 0.267 4.609 4.340 0.002 0.000 0.294 983 R C -0.388 175.610 176.300 -0.502 0.000 1.021 983 R CA 0.062 55.960 56.100 -0.336 0.000 1.081 983 R CB -0.132 29.967 30.300 -0.335 0.000 1.263 983 R HN 0.721 nan 8.270 nan 0.000 0.557 984 H N -1.550 117.536 119.070 0.027 0.000 2.505 984 H HA 0.278 4.836 4.556 0.002 0.000 0.260 984 H C 0.773 176.141 175.328 0.067 0.000 1.168 984 H CA 0.017 56.103 56.048 0.062 0.000 0.945 984 H CB 1.064 30.903 29.762 0.130 0.000 1.800 984 H HN 0.241 nan 8.280 nan 0.000 0.586 985 G N 1.292 110.165 108.800 0.121 0.000 2.249 985 G HA2 -0.307 3.654 3.960 0.002 0.000 0.273 985 G HA3 -0.307 3.654 3.960 0.002 0.000 0.273 985 G C 0.036 175.031 174.900 0.159 0.000 1.036 985 G CA -0.245 44.954 45.100 0.165 0.000 0.824 985 G HN 0.380 nan 8.290 nan 0.000 0.504 986 Q N -0.001 119.878 119.800 0.132 0.000 2.571 986 Q HA 0.349 4.690 4.340 0.002 0.000 0.222 986 Q C 1.072 177.140 176.000 0.113 0.000 1.167 986 Q CA -0.035 55.842 55.803 0.123 0.000 0.966 986 Q CB 1.067 29.896 28.738 0.152 0.000 1.274 986 Q HN 0.648 nan 8.270 nan 0.000 0.552 987 K N 0.787 121.242 120.400 0.092 0.000 3.054 987 K HA 0.348 4.669 4.320 0.002 0.000 0.348 987 K C 0.305 176.977 176.600 0.120 0.000 1.024 987 K CA 0.820 57.151 56.287 0.073 0.000 1.316 987 K CB -0.043 32.468 32.500 0.018 0.000 1.328 987 K HN 0.741 nan 8.250 nan 0.000 0.534 988 G N -0.351 108.500 108.800 0.084 0.000 2.712 988 G HA2 -0.127 3.835 3.960 0.002 0.000 0.686 988 G HA3 -0.127 3.835 3.960 0.002 0.000 0.686 988 G C -0.478 174.510 174.900 0.147 0.000 1.321 988 G CA -0.320 44.841 45.100 0.101 0.000 0.813 988 G HN 0.718 nan 8.290 nan 0.000 0.599 989 T N -1.496 113.131 114.554 0.122 0.000 2.901 989 T HA 0.747 5.098 4.350 0.002 0.000 0.293 989 T C 0.449 175.222 174.700 0.121 0.000 1.084 989 T CA -0.757 61.432 62.100 0.149 0.000 1.008 989 T CB 1.665 70.584 68.868 0.085 0.000 1.170 989 T HN 1.005 nan 8.240 nan 0.000 0.509 990 I N 1.770 122.421 120.570 0.135 0.000 2.556 990 I HA 0.357 4.528 4.170 0.002 0.000 0.284 990 I C 1.488 177.630 176.117 0.041 0.000 1.114 990 I CA 0.189 61.518 61.300 0.048 0.000 1.418 990 I CB 1.002 39.029 38.000 0.046 0.000 1.394 990 I HN 1.048 nan 8.210 nan 0.000 0.552 991 G N 6.865 115.677 108.800 0.020 0.000 2.848 991 G HA2 0.386 4.347 3.960 0.002 0.000 0.213 991 G HA3 0.386 4.347 3.960 0.002 0.000 0.213 991 G C 0.251 175.157 174.900 0.011 0.000 1.101 991 G CA 0.187 45.327 45.100 0.065 0.000 0.778 991 G HN 0.516 nan 8.290 nan 0.000 0.536 992 I N -0.013 120.495 120.570 -0.103 0.000 2.490 992 I HA 0.229 4.400 4.170 0.002 0.000 0.308 992 I C -1.565 174.380 176.117 -0.287 0.000 2.038 992 I CA -0.745 60.420 61.300 -0.224 0.000 0.924 992 I CB 2.035 39.770 38.000 -0.443 0.000 1.558 992 I HN 0.058 nan 8.210 nan 0.000 0.637 993 T N 1.474 115.894 114.554 -0.224 0.000 2.812 993 T HA 0.597 4.948 4.350 0.002 0.000 0.282 993 T C -1.119 173.587 174.700 0.010 0.000 0.990 993 T CA -0.543 61.468 62.100 -0.148 0.000 0.960 993 T CB 0.993 69.829 68.868 -0.054 0.000 0.948 993 T HN 0.387 nan 8.240 nan 0.000 0.438 994 Y N 1.025 121.311 120.300 -0.023 0.000 2.387 994 Y HA 0.528 5.079 4.550 0.002 0.000 0.336 994 Y C 1.253 177.153 175.900 -0.000 0.000 1.067 994 Y CA -1.666 56.437 58.100 0.005 0.000 1.114 994 Y CB 1.915 40.407 38.460 0.053 0.000 1.208 994 Y HN 0.447 nan 8.280 nan 0.000 0.458 995 R N 0.923 121.523 120.500 0.168 0.000 2.649 995 R HA 0.102 4.443 4.340 0.002 0.000 0.270 995 R C 1.543 177.889 176.300 0.077 0.000 1.105 995 R CA -0.167 55.983 56.100 0.082 0.000 1.193 995 R CB 0.548 30.872 30.300 0.041 0.000 1.120 995 R HN 0.729 nan 8.270 nan 0.000 0.561 996 R N 1.051 121.575 120.500 0.039 0.000 2.127 996 R HA -0.208 4.133 4.340 0.002 0.000 0.238 996 R C 1.185 177.504 176.300 0.032 0.000 1.134 996 R CA 2.332 58.451 56.100 0.031 0.000 0.975 996 R CB 0.009 30.310 30.300 0.001 0.000 0.865 996 R HN 0.647 nan 8.270 nan 0.000 0.447 997 E N 0.555 120.764 120.200 0.014 0.000 2.153 997 E HA -0.164 4.187 4.350 0.002 0.000 0.194 997 E C 1.131 177.788 176.600 0.095 0.000 0.988 997 E CA 1.561 57.965 56.400 0.008 0.000 0.811 997 E CB -0.101 29.588 29.700 -0.018 0.000 0.746 997 E HN 0.491 nan 8.360 nan 0.000 0.466 998 D N -0.155 120.315 120.400 0.116 0.000 2.349 998 D HA 0.032 4.673 4.640 0.002 0.000 0.215 998 D C 0.359 176.842 176.300 0.304 0.000 1.016 998 D CA 0.139 54.265 54.000 0.210 0.000 0.870 998 D CB 0.082 40.877 40.800 -0.008 0.000 0.917 998 D HN 0.185 nan 8.370 nan 0.000 0.524 999 M N 1.939 121.661 119.600 0.203 0.000 2.240 999 M HA 0.158 4.639 4.480 0.002 0.000 0.333 999 M C -2.289 174.080 176.300 0.114 0.000 1.110 999 M CA -1.683 53.666 55.300 0.081 0.000 1.173 999 M CB 0.771 33.409 32.600 0.062 0.000 1.458 999 M HN -0.260 nan 8.290 nan 0.000 0.458 1000 P HA 0.145 nan 4.420 nan 0.000 0.269 1000 P C -1.485 175.868 177.300 0.088 0.000 1.209 1000 P CA 0.134 63.225 63.100 -0.016 0.000 0.776 1000 P CB -0.090 31.476 31.700 -0.223 0.000 0.876 1001 F N -1.674 118.263 119.950 -0.021 0.000 2.565 1001 F HA 0.599 5.127 4.527 0.002 0.000 0.313 1001 F C 0.213 176.006 175.800 -0.012 0.000 1.091 1001 F CA -1.223 56.751 58.000 -0.043 0.000 0.915 1001 F CB 1.012 40.017 39.000 0.008 0.000 1.208 1001 F HN 0.162 nan 8.300 nan 0.000 0.453 1002 T N 0.902 115.445 114.554 -0.017 0.000 2.748 1002 T HA 0.383 4.734 4.350 0.002 0.000 0.304 1002 T C 1.314 176.153 174.700 0.231 0.000 1.041 1002 T CA 0.341 62.445 62.100 0.008 0.000 1.033 1002 T CB 1.013 69.852 68.868 -0.047 0.000 0.995 1002 T HN 0.936 nan 8.240 nan 0.000 0.536 1003 A N 1.798 124.759 122.820 0.235 0.000 2.015 1003 A HA -0.014 4.307 4.320 0.002 0.000 0.219 1003 A C 1.917 179.594 177.584 0.154 0.000 1.163 1003 A CA 1.651 53.823 52.037 0.226 0.000 0.646 1003 A CB -0.548 18.584 19.000 0.221 0.000 0.806 1003 A HN 0.950 nan 8.150 nan 0.000 0.448 1004 E N -1.367 118.925 120.200 0.154 0.000 2.427 1004 E HA 0.265 4.616 4.350 0.002 0.000 0.196 1004 E C 1.111 177.780 176.600 0.116 0.000 1.028 1004 E CA 0.330 56.805 56.400 0.125 0.000 0.864 1004 E CB -0.127 29.664 29.700 0.151 0.000 0.813 1004 E HN 0.718 nan 8.360 nan 0.000 0.514 1005 G N 1.343 110.238 108.800 0.159 0.000 2.132 1005 G HA2 -0.215 3.746 3.960 0.002 0.000 0.228 1005 G HA3 -0.215 3.746 3.960 0.002 0.000 0.228 1005 G C 0.233 175.206 174.900 0.123 0.000 1.000 1005 G CA -0.230 44.951 45.100 0.135 0.000 0.693 1005 G HN 0.113 nan 8.290 nan 0.000 0.515 1006 I N -0.093 120.571 120.570 0.157 0.000 2.938 1006 I HA 0.495 4.666 4.170 0.002 0.000 0.285 1006 I C 0.903 177.137 176.117 0.196 0.000 1.182 1006 I CA -0.317 61.096 61.300 0.189 0.000 1.388 1006 I CB 0.995 39.182 38.000 0.312 0.000 1.390 1006 I HN -0.053 nan 8.210 nan 0.000 0.600 1007 V N 5.156 125.214 119.914 0.242 0.000 2.932 1007 V HA 0.334 4.455 4.120 0.002 0.000 0.307 1007 V C -2.407 173.845 176.094 0.263 0.000 1.147 1007 V CA -1.283 61.143 62.300 0.211 0.000 0.951 1007 V CB 2.902 34.795 31.823 0.117 0.000 1.031 1007 V HN 0.661 nan 8.190 nan 0.000 0.426 1008 P HA 0.223 nan 4.420 nan 0.000 0.276 1008 P C -0.171 177.147 177.300 0.030 0.000 1.243 1008 P CA -0.016 63.204 63.100 0.201 0.000 0.768 1008 P CB 0.850 32.683 31.700 0.222 0.000 0.856 1009 D N 1.837 122.212 120.400 -0.040 0.000 2.309 1009 D HA -0.042 4.599 4.640 0.002 0.000 0.212 1009 D C 0.517 176.741 176.300 -0.127 0.000 0.968 1009 D CA 1.377 55.324 54.000 -0.090 0.000 0.882 1009 D CB 0.166 40.889 40.800 -0.127 0.000 0.918 1009 D HN 0.265 nan 8.370 nan 0.000 0.503 1010 L N 0.136 121.282 121.223 -0.128 0.000 2.565 1010 L HA 0.334 4.675 4.340 0.002 0.000 0.261 1010 L C -1.408 175.395 176.870 -0.112 0.000 0.932 1010 L CA -0.275 54.458 54.840 -0.179 0.000 0.878 1010 L CB 2.755 44.629 42.059 -0.309 0.000 1.333 1010 L HN -0.256 nan 8.230 nan 0.000 0.409 1011 I N 5.188 125.696 120.570 -0.105 0.000 2.362 1011 I HA 0.522 4.693 4.170 0.002 0.000 0.289 1011 I C -0.332 175.771 176.117 -0.023 0.000 0.994 1011 I CA -0.600 60.674 61.300 -0.043 0.000 1.158 1011 I CB 1.356 39.329 38.000 -0.045 0.000 1.315 1011 I HN 0.463 nan 8.210 nan 0.000 0.451 1012 I N 2.685 123.268 120.570 0.021 0.000 2.797 1012 I HA 0.561 4.732 4.170 0.002 0.000 0.307 1012 I C -0.318 175.835 176.117 0.060 0.000 1.033 1012 I CA -0.862 60.468 61.300 0.050 0.000 1.071 1012 I CB 1.681 39.738 38.000 0.095 0.000 1.255 1012 I HN 0.388 nan 8.210 nan 0.000 0.445 1013 N N 4.259 122.996 118.700 0.063 0.000 2.444 1013 N HA 0.274 5.015 4.740 0.002 0.000 0.271 1013 N C -1.737 173.785 175.510 0.021 0.000 1.069 1013 N CA -1.814 51.270 53.050 0.057 0.000 0.965 1013 N CB 1.556 40.105 38.487 0.104 0.000 1.092 1013 N HN 0.496 nan 8.380 nan 0.000 0.476 1014 P HA -0.132 nan 4.420 nan 0.000 0.231 1014 P C 0.414 177.668 177.300 -0.075 0.000 1.154 1014 P CA 1.170 64.219 63.100 -0.085 0.000 0.762 1014 P CB 0.211 31.824 31.700 -0.145 0.000 0.790 1015 H N -0.718 118.358 119.070 0.010 0.000 2.575 1015 H HA 0.394 4.951 4.556 0.002 0.000 0.267 1015 H C 0.929 176.256 175.328 -0.001 0.000 0.966 1015 H CA 0.178 56.229 56.048 0.005 0.000 1.165 1015 H CB 0.358 30.127 29.762 0.011 0.000 1.433 1015 H HN 0.089 nan 8.280 nan 0.000 0.544 1016 A N 0.735 123.619 122.820 0.106 0.000 3.154 1016 A HA 0.319 4.641 4.320 0.002 0.000 0.310 1016 A C 0.734 178.318 177.584 -0.001 0.000 1.093 1016 A CA -0.146 51.923 52.037 0.053 0.000 1.006 1016 A CB -0.256 18.776 19.000 0.054 0.000 1.084 1016 A HN 0.117 nan 8.150 nan 0.000 0.549 1017 I N -0.205 120.363 120.570 -0.002 0.000 3.739 1017 I HA 0.124 4.295 4.170 0.002 0.000 0.272 1017 I C -1.088 175.014 176.117 -0.026 0.000 1.167 1017 I CA 0.347 61.618 61.300 -0.049 0.000 1.386 1017 I CB -0.648 37.305 38.000 -0.078 0.000 1.490 1017 I HN 0.194 nan 8.210 nan 0.000 0.452 1018 P HA 0.076 nan 4.420 nan 0.000 0.245 1018 P C 1.570 178.874 177.300 0.007 0.000 1.199 1018 P CA 0.899 63.998 63.100 -0.001 0.000 0.807 1018 P CB 0.178 31.884 31.700 0.011 0.000 1.002 1019 S N 0.637 116.347 115.700 0.016 0.000 2.377 1019 S HA -0.043 4.428 4.470 0.002 0.000 0.223 1019 S C 1.988 176.597 174.600 0.014 0.000 1.030 1019 S CA 0.328 58.537 58.200 0.015 0.000 0.970 1019 S CB -0.825 62.386 63.200 0.018 0.000 0.830 1019 S HN -0.038 nan 8.310 nan 0.000 0.473 1020 R N 0.729 121.239 120.500 0.016 0.000 2.235 1020 R HA 0.243 4.584 4.340 0.002 0.000 0.213 1020 R C 0.541 176.844 176.300 0.005 0.000 1.059 1020 R CA 0.477 56.589 56.100 0.019 0.000 0.997 1020 R CB -0.909 29.409 30.300 0.029 0.000 0.884 1020 R HN 0.513 nan 8.270 nan 0.000 0.462 1021 M N 1.132 120.729 119.600 -0.005 0.000 2.350 1021 M HA -0.170 4.311 4.480 0.002 0.000 0.190 1021 M C 0.105 176.401 176.300 -0.006 0.000 0.710 1021 M CA 0.973 56.267 55.300 -0.009 0.000 0.495 1021 M CB -1.271 31.328 32.600 -0.003 0.000 1.136 1021 M HN 0.066 nan 8.290 nan 0.000 0.901 1022 T N -1.168 113.373 114.554 -0.022 0.000 3.213 1022 T HA 0.417 4.768 4.350 0.002 0.000 0.240 1022 T C 1.043 175.693 174.700 -0.084 0.000 1.033 1022 T CA -0.060 62.026 62.100 -0.023 0.000 1.087 1022 T CB -0.003 68.863 68.868 -0.003 0.000 1.119 1022 T HN 0.323 nan 8.240 nan 0.000 0.571 1023 V N 1.525 121.408 119.914 -0.051 0.000 2.546 1023 V HA -0.173 3.948 4.120 0.002 0.000 0.254 1023 V C 2.969 178.995 176.094 -0.114 0.000 1.076 1023 V CA 2.029 64.287 62.300 -0.070 0.000 1.087 1023 V CB -1.269 30.543 31.823 -0.018 0.000 0.674 1023 V HN 0.799 nan 8.190 nan 0.000 0.470 1024 A N -0.758 122.004 122.820 -0.096 0.000 1.969 1024 A HA -0.257 4.064 4.320 0.002 0.000 0.218 1024 A C 2.244 179.563 177.584 -0.441 0.000 1.169 1024 A CA 1.768 53.764 52.037 -0.068 0.000 0.635 1024 A CB -0.724 18.442 19.000 0.277 0.000 0.810 1024 A HN 0.684 nan 8.150 nan 0.000 0.445 1025 H N 0.491 118.910 119.070 -1.085 0.000 2.326 1025 H HA -0.011 4.546 4.556 0.002 0.000 0.301 1025 H C 1.847 177.078 175.328 -0.162 0.000 1.081 1025 H CA 1.808 57.367 56.048 -0.815 0.000 1.334 1025 H CB -0.375 29.101 29.762 -0.477 0.000 1.385 1025 H HN 0.413 nan 8.280 nan 0.000 0.504 1026 L N 0.291 121.589 121.223 0.125 0.000 2.081 1026 L HA -0.206 4.135 4.340 0.002 0.000 0.212 1026 L C 2.739 179.678 176.870 0.116 0.000 1.080 1026 L CA 1.344 56.259 54.840 0.126 0.000 0.754 1026 L CB -0.395 41.596 42.059 -0.113 0.000 0.893 1026 L HN 0.260 nan 8.230 nan 0.000 0.433 1027 I N -1.101 119.462 120.570 -0.013 0.000 2.584 1027 I HA -0.175 3.996 4.170 0.002 0.000 0.255 1027 I C 2.536 178.732 176.117 0.132 0.000 1.145 1027 I CA 0.601 61.867 61.300 -0.056 0.000 1.462 1027 I CB -0.340 37.387 38.000 -0.455 0.000 1.102 1027 I HN 0.279 nan 8.210 nan 0.000 0.433 1028 E N 0.668 120.993 120.200 0.207 0.000 2.065 1028 E HA -0.337 4.014 4.350 0.002 0.000 0.201 1028 E C 2.341 178.992 176.600 0.086 0.000 1.016 1028 E CA 2.189 58.704 56.400 0.192 0.000 0.818 1028 E CB -0.110 29.684 29.700 0.156 0.000 0.749 1028 E HN 0.587 nan 8.360 nan 0.000 0.453 1029 C N 0.126 119.467 119.300 0.068 0.000 2.466 1029 C HA -0.068 4.393 4.460 0.002 0.000 0.278 1029 C C 2.731 177.667 174.990 -0.090 0.000 1.288 1029 C CA 0.515 59.519 59.018 -0.025 0.000 1.722 1029 C CB -1.116 26.645 27.740 0.037 0.000 2.017 1029 C HN 0.485 nan 8.230 nan 0.000 0.488 1030 L N 0.806 122.049 121.223 0.033 0.000 1.989 1030 L HA -0.074 4.267 4.340 0.002 0.000 0.211 1030 L C 2.357 179.223 176.870 -0.008 0.000 1.071 1030 L CA 2.143 56.994 54.840 0.018 0.000 0.749 1030 L CB -0.925 41.223 42.059 0.149 0.000 0.890 1030 L HN 0.443 nan 8.230 nan 0.000 0.431 1031 L N -1.300 119.951 121.223 0.047 0.000 1.970 1031 L HA -0.208 4.134 4.340 0.002 0.000 0.212 1031 L C 2.567 179.427 176.870 -0.016 0.000 1.071 1031 L CA 2.139 57.012 54.840 0.054 0.000 0.751 1031 L CB -1.075 41.083 42.059 0.165 0.000 0.889 1031 L HN 0.271 nan 8.230 nan 0.000 0.432 1032 S N -0.395 115.285 115.700 -0.033 0.000 2.372 1032 S HA -0.320 4.151 4.470 0.002 0.000 0.227 1032 S C 2.027 176.550 174.600 -0.128 0.000 1.044 1032 S CA 1.870 60.023 58.200 -0.078 0.000 1.050 1032 S CB -0.450 62.707 63.200 -0.072 0.000 0.901 1032 S HN 0.455 nan 8.310 nan 0.000 0.447 1033 K N 0.578 120.877 120.400 -0.168 0.000 2.089 1033 K HA -0.151 4.170 4.320 0.002 0.000 0.210 1033 K C 1.862 178.330 176.600 -0.220 0.000 1.048 1033 K CA 1.685 57.834 56.287 -0.230 0.000 0.926 1033 K CB -0.221 32.104 32.500 -0.292 0.000 0.714 1033 K HN 0.264 nan 8.250 nan 0.000 0.448 1034 V N 0.763 120.579 119.914 -0.163 0.000 2.488 1034 V HA -0.164 3.957 4.120 0.002 0.000 0.246 1034 V C 2.397 178.385 176.094 -0.176 0.000 1.046 1034 V CA 1.563 63.753 62.300 -0.183 0.000 1.053 1034 V CB -0.618 31.158 31.823 -0.078 0.000 0.679 1034 V HN 0.434 nan 8.190 nan 0.000 0.458 1035 A N 0.830 123.580 122.820 -0.116 0.000 1.859 1035 A HA -0.294 4.027 4.320 0.002 0.000 0.218 1035 A C 2.478 179.992 177.584 -0.117 0.000 1.209 1035 A CA 2.909 54.888 52.037 -0.097 0.000 0.639 1035 A CB -1.214 17.733 19.000 -0.089 0.000 0.835 1035 A HN 0.616 nan 8.150 nan 0.000 0.450 1036 A N -0.722 122.018 122.820 -0.133 0.000 1.917 1036 A HA -0.090 4.231 4.320 0.002 0.000 0.219 1036 A C 2.231 179.737 177.584 -0.129 0.000 1.182 1036 A CA 1.741 53.703 52.037 -0.124 0.000 0.633 1036 A CB -0.668 18.251 19.000 -0.135 0.000 0.819 1036 A HN 0.520 nan 8.150 nan 0.000 0.448 1037 L N 0.084 121.184 121.223 -0.205 0.000 1.988 1037 L HA -0.178 4.163 4.340 0.002 0.000 0.207 1037 L C 3.005 179.782 176.870 -0.154 0.000 1.071 1037 L CA 1.806 56.502 54.840 -0.239 0.000 0.744 1037 L CB -0.643 41.099 42.059 -0.528 0.000 0.893 1037 L HN 0.570 nan 8.230 nan 0.000 0.433 1038 S N -0.537 115.043 115.700 -0.199 0.000 2.481 1038 S HA 0.025 4.496 4.470 0.002 0.000 0.231 1038 S C 1.601 176.226 174.600 0.043 0.000 0.996 1038 S CA 0.527 58.773 58.200 0.076 0.000 0.942 1038 S CB -0.076 63.192 63.200 0.113 0.000 0.768 1038 S HN 0.625 nan 8.310 nan 0.000 0.520 1039 G N 1.226 110.017 108.800 -0.015 0.000 2.136 1039 G HA2 -0.230 3.731 3.960 0.002 0.000 0.242 1039 G HA3 -0.230 3.731 3.960 0.002 0.000 0.242 1039 G C -0.091 174.797 174.900 -0.021 0.000 0.989 1039 G CA 0.086 45.176 45.100 -0.017 0.000 0.682 1039 G HN 0.527 nan 8.290 nan 0.000 0.522 1040 N N 0.107 118.792 118.700 -0.024 0.000 2.448 1040 N HA 0.496 5.237 4.740 0.002 0.000 0.274 1040 N C 0.226 175.708 175.510 -0.047 0.000 1.239 1040 N CA -0.417 52.619 53.050 -0.024 0.000 0.982 1040 N CB 0.701 39.187 38.487 -0.003 0.000 1.199 1040 N HN 0.372 nan 8.380 nan 0.000 0.576 1041 E N -0.210 119.960 120.200 -0.050 0.000 1.986 1041 E HA 0.300 4.651 4.350 0.002 0.000 0.264 1041 E C -0.140 176.415 176.600 -0.076 0.000 1.023 1041 E CA -0.635 55.721 56.400 -0.074 0.000 0.834 1041 E CB -0.456 29.195 29.700 -0.081 0.000 1.111 1041 E HN 0.602 nan 8.360 nan 0.000 0.417 1042 G N 4.215 112.967 108.800 -0.081 0.000 2.147 1042 G HA2 -0.134 3.827 3.960 0.002 0.000 0.269 1042 G HA3 -0.134 3.827 3.960 0.002 0.000 0.269 1042 G C -0.314 174.510 174.900 -0.127 0.000 0.912 1042 G CA 0.040 45.090 45.100 -0.082 0.000 1.057 1042 G HN 0.602 nan 8.290 nan 0.000 0.364 1043 D N 1.848 122.185 120.400 -0.105 0.000 2.443 1043 D HA 0.470 5.111 4.640 0.002 0.000 0.221 1043 D C 0.640 176.786 176.300 -0.256 0.000 1.097 1043 D CA -0.352 53.554 54.000 -0.156 0.000 0.865 1043 D CB 0.876 41.622 40.800 -0.090 0.000 1.034 1043 D HN 0.327 nan 8.370 nan 0.000 0.511 1044 A N 2.959 125.495 122.820 -0.472 0.000 2.713 1044 A HA 0.262 4.583 4.320 0.002 0.000 0.296 1044 A C 0.457 177.654 177.584 -0.645 0.000 1.255 1044 A CA -0.522 50.894 52.037 -1.035 0.000 0.955 1044 A CB -0.119 18.119 19.000 -1.270 0.000 1.149 1044 A HN 0.381 nan 8.150 nan 0.000 0.538 1045 S N 2.801 118.316 115.700 -0.308 0.000 2.546 1045 S HA 0.147 4.618 4.470 0.002 0.000 0.290 1045 S C -1.378 173.200 174.600 -0.037 0.000 1.262 1045 S CA -0.550 57.568 58.200 -0.138 0.000 1.083 1045 S CB 0.497 63.673 63.200 -0.041 0.000 0.859 1045 S HN 0.379 nan 8.310 nan 0.000 0.495 1046 P HA -0.209 nan 4.420 nan 0.000 0.223 1046 P C 0.247 177.508 177.300 -0.064 0.000 0.816 1046 P CA 1.452 64.393 63.100 -0.264 0.000 1.074 1046 P CB -0.031 31.179 31.700 -0.817 0.000 0.700 1047 F N -0.226 119.881 119.950 0.262 0.000 2.640 1047 F HA 0.197 4.725 4.527 0.002 0.000 0.354 1047 F C 1.268 177.196 175.800 0.214 0.000 1.213 1047 F CA -0.451 57.668 58.000 0.198 0.000 1.314 1047 F CB -1.020 38.053 39.000 0.121 0.000 1.679 1047 F HN 0.009 nan 8.300 nan 0.000 0.622 1048 T N -4.473 110.290 114.554 0.349 0.000 2.807 1048 T HA 0.299 4.650 4.350 0.002 0.000 0.277 1048 T C 0.351 175.201 174.700 0.250 0.000 1.006 1048 T CA -0.841 61.438 62.100 0.298 0.000 1.006 1048 T CB 1.801 70.833 68.868 0.273 0.000 1.274 1048 T HN 0.003 nan 8.240 nan 0.000 0.569 1049 D N -0.087 120.438 120.400 0.209 0.000 2.358 1049 D HA 0.331 4.972 4.640 0.002 0.000 0.224 1049 D C 0.055 176.448 176.300 0.155 0.000 1.123 1049 D CA -0.065 54.036 54.000 0.167 0.000 0.833 1049 D CB -0.128 40.754 40.800 0.138 0.000 0.946 1049 D HN 0.439 nan 8.370 nan 0.000 0.505 1050 I N 1.037 121.722 120.570 0.191 0.000 2.474 1050 I HA 0.052 4.223 4.170 0.002 0.000 0.287 1050 I C 0.754 176.932 176.117 0.102 0.000 1.048 1050 I CA 0.280 61.681 61.300 0.168 0.000 1.383 1050 I CB 1.134 39.291 38.000 0.261 0.000 1.412 1050 I HN -0.123 nan 8.210 nan 0.000 0.531 1051 T N 2.054 116.639 114.554 0.051 0.000 2.906 1051 T HA 0.333 4.684 4.350 0.002 0.000 0.295 1051 T C 0.874 175.549 174.700 -0.042 0.000 1.061 1051 T CA -0.870 61.230 62.100 0.000 0.000 1.000 1051 T CB 1.643 70.534 68.868 0.037 0.000 1.103 1051 T HN 0.177 nan 8.240 nan 0.000 0.486 1052 V N 1.299 121.158 119.914 -0.092 0.000 2.453 1052 V HA -0.159 3.962 4.120 0.002 0.000 0.252 1052 V C 2.696 178.787 176.094 -0.005 0.000 1.068 1052 V CA 1.813 64.068 62.300 -0.075 0.000 1.070 1052 V CB -0.859 30.910 31.823 -0.089 0.000 0.664 1052 V HN 0.863 nan 8.190 nan 0.000 0.461 1053 E N 0.700 120.907 120.200 0.011 0.000 2.047 1053 E HA -0.112 4.239 4.350 0.002 0.000 0.191 1053 E C 2.402 179.028 176.600 0.043 0.000 0.987 1053 E CA 1.410 57.830 56.400 0.033 0.000 0.799 1053 E CB -0.757 28.964 29.700 0.034 0.000 0.752 1053 E HN 0.600 nan 8.360 nan 0.000 0.449 1054 G N 2.405 111.230 108.800 0.042 0.000 2.514 1054 G HA2 -0.252 3.709 3.960 0.002 0.000 0.217 1054 G HA3 -0.252 3.709 3.960 0.002 0.000 0.217 1054 G C 1.580 176.516 174.900 0.060 0.000 1.198 1054 G CA 1.086 46.218 45.100 0.054 0.000 0.780 1054 G HN 0.113 nan 8.290 nan 0.000 0.565 1055 I N 1.615 122.218 120.570 0.054 0.000 2.087 1055 I HA -0.205 3.966 4.170 0.002 0.000 0.240 1055 I C 3.007 179.166 176.117 0.070 0.000 1.054 1055 I CA 1.660 62.996 61.300 0.059 0.000 1.311 1055 I CB -1.500 36.525 38.000 0.042 0.000 1.024 1055 I HN 0.129 nan 8.210 nan 0.000 0.402 1056 S N 0.267 116.008 115.700 0.068 0.000 2.374 1056 S HA -0.238 4.233 4.470 0.002 0.000 0.227 1056 S C 1.981 176.638 174.600 0.095 0.000 1.037 1056 S CA 1.525 59.777 58.200 0.087 0.000 1.024 1056 S CB -0.253 62.998 63.200 0.085 0.000 0.861 1056 S HN 0.399 nan 8.310 nan 0.000 0.456 1057 K N 0.819 121.268 120.400 0.081 0.000 2.001 1057 K HA -0.095 4.226 4.320 0.002 0.000 0.214 1057 K C 2.029 178.687 176.600 0.098 0.000 1.050 1057 K CA 1.439 57.773 56.287 0.079 0.000 0.934 1057 K CB -0.467 32.072 32.500 0.065 0.000 0.718 1057 K HN 0.268 nan 8.250 nan 0.000 0.443 1058 L N 0.633 121.919 121.223 0.105 0.000 2.081 1058 L HA -0.245 4.096 4.340 0.002 0.000 0.212 1058 L C 2.466 179.467 176.870 0.219 0.000 1.080 1058 L CA 0.790 55.718 54.840 0.147 0.000 0.754 1058 L CB -0.443 41.696 42.059 0.132 0.000 0.893 1058 L HN 0.264 nan 8.230 nan 0.000 0.433 1059 L N -0.096 121.228 121.223 0.168 0.000 2.109 1059 L HA -0.148 4.193 4.340 0.002 0.000 0.207 1059 L C 2.626 179.644 176.870 0.247 0.000 1.086 1059 L CA 1.475 56.428 54.840 0.189 0.000 0.760 1059 L CB -0.417 41.710 42.059 0.113 0.000 0.910 1059 L HN 0.041 nan 8.230 nan 0.000 0.437 1060 R N 0.103 120.713 120.500 0.183 0.000 2.148 1060 R HA -0.113 4.228 4.340 0.002 0.000 0.227 1060 R C 2.065 178.444 176.300 0.131 0.000 1.103 1060 R CA 1.414 57.608 56.100 0.157 0.000 0.983 1060 R CB -0.300 30.066 30.300 0.110 0.000 0.874 1060 R HN 0.511 nan 8.270 nan 0.000 0.451 1061 E N -1.452 118.823 120.200 0.125 0.000 2.204 1061 E HA -0.173 4.178 4.350 0.002 0.000 0.195 1061 E C 1.073 177.672 176.600 -0.001 0.000 0.990 1061 E CA 1.230 57.653 56.400 0.039 0.000 0.821 1061 E CB -0.009 29.690 29.700 -0.002 0.000 0.750 1061 E HN 0.564 nan 8.360 nan 0.000 0.477 1062 H N -1.710 117.426 119.070 0.110 0.000 2.553 1062 H HA 0.197 4.755 4.556 0.002 0.000 0.265 1062 H C 0.718 176.107 175.328 0.101 0.000 0.964 1062 H CA 0.679 56.811 56.048 0.140 0.000 1.156 1062 H CB 1.184 31.077 29.762 0.219 0.000 1.411 1062 H HN 0.227 nan 8.280 nan 0.000 0.558 1063 G N -0.489 108.402 108.800 0.152 0.000 2.186 1063 G HA2 -0.191 3.770 3.960 0.002 0.000 0.130 1063 G HA3 -0.191 3.770 3.960 0.002 0.000 0.130 1063 G C -0.913 173.799 174.900 -0.313 0.000 1.031 1063 G CA -0.667 44.363 45.100 -0.116 0.000 0.697 1063 G HN 0.275 nan 8.290 nan 0.000 0.494 1064 Y N -0.966 119.392 120.300 0.096 0.000 2.534 1064 Y HA 0.571 5.122 4.550 0.002 0.000 0.345 1064 Y C 0.289 176.249 175.900 0.100 0.000 1.031 1064 Y CA -1.201 56.956 58.100 0.094 0.000 1.022 1064 Y CB 1.508 40.022 38.460 0.091 0.000 1.292 1064 Y HN 0.302 nan 8.280 nan 0.000 0.459 1065 Q N 0.987 120.950 119.800 0.272 0.000 2.262 1065 Q HA 0.040 4.381 4.340 0.002 0.000 0.298 1065 Q C 0.805 176.948 176.000 0.239 0.000 1.083 1065 Q CA 0.825 56.758 55.803 0.217 0.000 0.962 1065 Q CB 1.084 29.949 28.738 0.210 0.000 1.104 1065 Q HN 0.746 nan 8.270 nan 0.000 0.376 1066 S N 3.752 119.566 115.700 0.191 0.000 2.493 1066 S HA -0.130 4.341 4.470 0.002 0.000 0.243 1066 S C 0.903 175.626 174.600 0.206 0.000 0.991 1066 S CA 0.762 59.068 58.200 0.176 0.000 0.957 1066 S CB -0.036 63.243 63.200 0.132 0.000 0.756 1066 S HN 0.700 nan 8.310 nan 0.000 0.521 1067 R N 0.436 121.113 120.500 0.294 0.000 2.432 1067 R HA 0.321 4.662 4.340 0.002 0.000 0.260 1067 R C 1.434 178.023 176.300 0.481 0.000 0.935 1067 R CA 0.475 56.797 56.100 0.369 0.000 1.080 1067 R CB -0.211 30.345 30.300 0.426 0.000 1.155 1067 R HN 0.608 nan 8.270 nan 0.000 0.531 1068 G N 0.841 109.848 108.800 0.345 0.000 2.141 1068 G HA2 -0.262 3.700 3.960 0.002 0.000 0.231 1068 G HA3 -0.262 3.700 3.960 0.002 0.000 0.231 1068 G C -0.061 174.868 174.900 0.048 0.000 0.984 1068 G CA -0.323 44.836 45.100 0.098 0.000 0.660 1068 G HN 0.206 nan 8.290 nan 0.000 0.525 1069 F N 0.407 120.494 119.950 0.228 0.000 2.380 1069 F HA 0.754 5.283 4.527 0.002 0.000 0.321 1069 F C 0.856 176.738 175.800 0.137 0.000 1.103 1069 F CA -0.384 57.731 58.000 0.192 0.000 1.067 1069 F CB 1.276 40.369 39.000 0.156 0.000 1.265 1069 F HN 0.051 nan 8.300 nan 0.000 0.517 1070 E N 0.194 120.572 120.200 0.296 0.000 2.506 1070 E HA 0.232 4.583 4.350 0.002 0.000 0.308 1070 E C -1.686 174.938 176.600 0.040 0.000 0.931 1070 E CA -0.500 55.995 56.400 0.157 0.000 0.800 1070 E CB 2.164 31.944 29.700 0.134 0.000 1.292 1070 E HN 0.228 nan 8.360 nan 0.000 0.401 1071 V N 4.380 124.289 119.914 -0.007 0.000 2.599 1071 V HA 0.145 4.266 4.120 0.002 0.000 0.300 1071 V C 0.458 176.395 176.094 -0.262 0.000 1.034 1071 V CA 0.688 62.903 62.300 -0.140 0.000 1.115 1071 V CB 0.207 31.930 31.823 -0.166 0.000 0.934 1071 V HN 0.633 nan 8.190 nan 0.000 0.485 1072 M N 4.289 123.658 119.600 -0.386 0.000 2.591 1072 M HA 0.530 5.011 4.480 0.002 0.000 0.306 1072 M C -1.512 174.353 176.300 -0.725 0.000 1.190 1072 M CA -0.638 54.389 55.300 -0.455 0.000 0.889 1072 M CB 2.627 35.033 32.600 -0.322 0.000 1.728 1072 M HN 0.525 nan 8.290 nan 0.000 0.458 1073 Y N 0.576 120.480 120.300 -0.659 0.000 2.342 1073 Y HA 0.302 4.853 4.550 0.002 0.000 0.334 1073 Y C 0.429 176.069 175.900 -0.432 0.000 1.067 1073 Y CA -1.077 56.609 58.100 -0.689 0.000 1.128 1073 Y CB 0.422 38.225 38.460 -1.095 0.000 1.200 1073 Y HN 0.558 nan 8.280 nan 0.000 0.464 1074 N N 1.217 119.896 118.700 -0.034 0.000 2.492 1074 N HA 0.012 4.753 4.740 0.002 0.000 0.262 1074 N C 0.977 176.632 175.510 0.242 0.000 1.202 1074 N CA 0.544 53.644 53.050 0.083 0.000 0.926 1074 N CB 1.458 39.917 38.487 -0.046 0.000 1.078 1074 N HN 0.959 nan 8.380 nan 0.000 0.454 1075 G N 1.974 110.985 108.800 0.352 0.000 2.813 1075 G HA2 -0.121 3.840 3.960 0.002 0.000 0.209 1075 G HA3 -0.121 3.840 3.960 0.002 0.000 0.209 1075 G C 0.790 175.948 174.900 0.430 0.000 1.150 1075 G CA 0.301 45.689 45.100 0.479 0.000 0.785 1075 G HN 0.669 nan 8.290 nan 0.000 0.535 1076 H N 0.228 119.389 119.070 0.152 0.000 2.384 1076 H HA 0.089 4.646 4.556 0.002 0.000 0.300 1076 H C 2.348 177.720 175.328 0.073 0.000 1.057 1076 H CA 1.519 57.607 56.048 0.067 0.000 1.370 1076 H CB -0.183 29.585 29.762 0.011 0.000 1.417 1076 H HN 0.226 nan 8.280 nan 0.000 0.527 1077 T N -1.859 112.829 114.554 0.224 0.000 2.990 1077 T HA 0.283 4.634 4.350 0.002 0.000 0.249 1077 T C 1.691 176.487 174.700 0.161 0.000 1.039 1077 T CA 0.671 62.862 62.100 0.151 0.000 1.036 1077 T CB 0.536 69.467 68.868 0.104 0.000 0.994 1077 T HN 0.573 nan 8.240 nan 0.000 0.489 1078 G N 2.065 111.008 108.800 0.238 0.000 2.253 1078 G HA2 -0.286 3.675 3.960 0.002 0.000 0.251 1078 G HA3 -0.286 3.675 3.960 0.002 0.000 0.251 1078 G C 0.204 175.253 174.900 0.248 0.000 0.998 1078 G CA 0.212 45.481 45.100 0.281 0.000 0.621 1078 G HN 0.538 nan 8.290 nan 0.000 0.524 1079 K N 1.346 121.845 120.400 0.164 0.000 2.416 1079 K HA 0.288 4.609 4.320 0.002 0.000 0.283 1079 K C 0.675 177.318 176.600 0.071 0.000 1.037 1079 K CA -0.316 56.043 56.287 0.120 0.000 0.995 1079 K CB 0.242 32.774 32.500 0.053 0.000 0.938 1079 K HN 0.236 nan 8.250 nan 0.000 0.475 1080 K N 4.232 124.657 120.400 0.040 0.000 2.466 1080 K HA -0.058 4.263 4.320 0.002 0.000 0.278 1080 K C -0.306 176.153 176.600 -0.234 0.000 1.048 1080 K CA 0.048 56.152 56.287 -0.305 0.000 1.088 1080 K CB 0.195 32.543 32.500 -0.253 0.000 0.884 1080 K HN 0.464 nan 8.250 nan 0.000 0.478 1081 L N 5.332 126.385 121.223 -0.285 0.000 2.513 1081 L HA -0.051 4.290 4.340 0.002 0.000 0.272 1081 L C 1.644 178.426 176.870 -0.147 0.000 1.187 1081 L CA -0.368 54.371 54.840 -0.170 0.000 0.895 1081 L CB 0.209 42.188 42.059 -0.133 0.000 1.147 1081 L HN 0.767 nan 8.230 nan 0.000 0.483 1082 M N 3.396 122.940 119.600 -0.093 0.000 2.195 1082 M HA -0.072 4.409 4.480 0.002 0.000 0.260 1082 M C 0.771 177.035 176.300 -0.060 0.000 1.066 1082 M CA 1.181 56.438 55.300 -0.071 0.000 1.089 1082 M CB -0.214 32.356 32.600 -0.050 0.000 1.377 1082 M HN 0.669 nan 8.290 nan 0.000 0.411 1083 A N -0.031 122.762 122.820 -0.045 0.000 2.312 1083 A HA 0.604 4.925 4.320 0.002 0.000 0.326 1083 A C -0.412 177.178 177.584 0.009 0.000 1.172 1083 A CA -0.738 51.293 52.037 -0.010 0.000 0.821 1083 A CB 0.535 19.544 19.000 0.015 0.000 1.166 1083 A HN 0.424 nan 8.150 nan 0.000 0.493 1084 Q N 0.096 119.937 119.800 0.067 0.000 2.212 1084 Q HA 0.684 5.025 4.340 0.002 0.000 0.238 1084 Q C -1.143 175.036 176.000 0.300 0.000 0.955 1084 Q CA 0.031 55.921 55.803 0.146 0.000 0.906 1084 Q CB 1.500 30.340 28.738 0.170 0.000 1.215 1084 Q HN 0.630 nan 8.270 nan 0.000 0.478 1085 I N 0.966 121.677 120.570 0.235 0.000 2.436 1085 I HA 0.247 4.418 4.170 0.002 0.000 0.289 1085 I C -0.960 175.230 176.117 0.122 0.000 1.010 1085 I CA -0.592 60.814 61.300 0.176 0.000 1.098 1085 I CB 1.064 39.106 38.000 0.069 0.000 1.266 1085 I HN 0.480 nan 8.210 nan 0.000 0.434 1086 F N 7.480 127.269 119.950 -0.268 0.000 2.571 1086 F HA 0.264 4.792 4.527 0.002 0.000 0.384 1086 F C -0.667 175.133 175.800 -0.001 0.000 1.058 1086 F CA 0.361 58.149 58.000 -0.354 0.000 1.200 1086 F CB 0.029 38.751 39.000 -0.463 0.000 1.077 1086 F HN 0.274 nan 8.300 nan 0.000 0.558 1087 F N 4.851 124.466 119.950 -0.558 0.000 2.651 1087 F HA 0.625 5.153 4.527 0.002 0.000 0.329 1087 F C -0.629 174.887 175.800 -0.473 0.000 1.186 1087 F CA -0.411 57.372 58.000 -0.361 0.000 1.046 1087 F CB 1.338 40.225 39.000 -0.188 0.000 1.296 1087 F HN 0.656 nan 8.300 nan 0.000 0.497 1088 G N 4.903 113.185 108.800 -0.862 0.000 2.466 1088 G HA2 0.519 4.480 3.960 0.002 0.000 0.291 1088 G HA3 0.519 4.480 3.960 0.002 0.000 0.291 1088 G C -3.581 171.000 174.900 -0.530 0.000 1.460 1088 G CA -1.081 43.608 45.100 -0.684 0.000 0.791 1088 G HN 0.294 nan 8.290 nan 0.000 0.505 1089 P HA 0.507 nan 4.420 nan 0.000 0.277 1089 P C -0.746 176.482 177.300 -0.119 0.000 1.240 1089 P CA -0.014 62.948 63.100 -0.230 0.000 0.798 1089 P CB 1.556 33.148 31.700 -0.180 0.000 0.979 1090 T N 1.357 115.908 114.554 -0.004 0.000 3.395 1090 T HA 0.107 4.458 4.350 0.002 0.000 0.330 1090 T C -1.054 173.795 174.700 0.248 0.000 1.076 1090 T CA -0.274 61.877 62.100 0.085 0.000 1.070 1090 T CB 0.149 69.058 68.868 0.068 0.000 1.119 1090 T HN 0.174 nan 8.240 nan 0.000 0.462 1091 Y N 3.434 123.768 120.300 0.057 0.000 2.745 1091 Y HA 0.243 4.794 4.550 0.002 0.000 0.335 1091 Y C -0.711 175.282 175.900 0.154 0.000 1.212 1091 Y CA -0.071 58.093 58.100 0.107 0.000 1.535 1091 Y CB -0.125 38.367 38.460 0.053 0.000 1.220 1091 Y HN 0.576 nan 8.280 nan 0.000 0.531 1092 Y N 3.525 123.793 120.300 -0.052 0.000 2.446 1092 Y HA 0.393 4.944 4.550 0.002 0.000 0.345 1092 Y C -0.277 175.617 175.900 -0.010 0.000 0.984 1092 Y CA -0.917 57.214 58.100 0.052 0.000 1.058 1092 Y CB 1.636 40.230 38.460 0.225 0.000 1.220 1092 Y HN 0.456 nan 8.280 nan 0.000 0.455 1093 Q N 2.120 121.945 119.800 0.042 0.000 2.245 1093 Q HA 0.452 4.793 4.340 0.002 0.000 0.256 1093 Q C -0.924 175.012 176.000 -0.106 0.000 0.942 1093 Q CA -1.220 54.565 55.803 -0.029 0.000 0.896 1093 Q CB 1.740 30.445 28.738 -0.054 0.000 1.272 1093 Q HN 0.345 nan 8.270 nan 0.000 0.442 1094 R N 3.000 123.371 120.500 -0.214 0.000 2.204 1094 R HA 0.314 4.655 4.340 0.002 0.000 0.341 1094 R C -1.426 174.700 176.300 -0.291 0.000 1.035 1094 R CA -0.087 55.730 56.100 -0.471 0.000 0.887 1094 R CB -0.193 29.900 30.300 -0.346 0.000 1.114 1094 R HN 0.550 nan 8.270 nan 0.000 0.473 1095 L N 4.450 125.450 121.223 -0.372 0.000 2.421 1095 L HA 0.520 4.861 4.340 0.002 0.000 0.263 1095 L C 0.895 177.637 176.870 -0.213 0.000 1.122 1095 L CA -1.205 53.507 54.840 -0.213 0.000 0.804 1095 L CB 0.609 42.572 42.059 -0.161 0.000 1.150 1095 L HN 0.664 nan 8.230 nan 0.000 0.457 1096 R N 0.042 120.402 120.500 -0.234 0.000 3.016 1096 R HA 0.086 4.427 4.340 0.002 0.000 0.285 1096 R C -0.615 175.434 176.300 -0.418 0.000 1.041 1096 R CA -0.443 55.448 56.100 -0.348 0.000 1.196 1096 R CB -0.174 29.744 30.300 -0.635 0.000 1.160 1096 R HN 0.701 nan 8.270 nan 0.000 0.530 1097 H N -1.605 117.380 119.070 -0.142 0.000 3.190 1097 H HA -0.108 4.449 4.556 0.002 0.000 0.360 1097 H C -0.943 174.297 175.328 -0.145 0.000 1.196 1097 H CA 0.668 56.634 56.048 -0.136 0.000 1.178 1097 H CB -1.578 28.100 29.762 -0.140 0.000 1.579 1097 H HN 0.563 nan 8.280 nan 0.000 0.416 1098 M N 1.050 120.611 119.600 -0.065 0.000 2.472 1098 M HA 0.248 4.729 4.480 0.002 0.000 0.331 1098 M C 2.136 178.407 176.300 -0.048 0.000 1.170 1098 M CA -0.733 54.521 55.300 -0.077 0.000 1.009 1098 M CB 1.979 34.509 32.600 -0.117 0.000 1.672 1098 M HN 0.121 nan 8.290 nan 0.000 0.453 1099 V N -0.916 118.980 119.914 -0.030 0.000 2.282 1099 V HA -0.251 3.870 4.120 0.002 0.000 0.249 1099 V C 1.042 177.123 176.094 -0.021 0.000 1.057 1099 V CA 1.939 64.230 62.300 -0.015 0.000 1.032 1099 V CB -0.821 31.000 31.823 -0.002 0.000 0.645 1099 V HN 0.829 nan 8.190 nan 0.000 0.447 1100 D N 0.528 120.906 120.400 -0.038 0.000 2.392 1100 D HA -0.026 4.615 4.640 0.002 0.000 0.228 1100 D C 0.926 177.192 176.300 -0.057 0.000 1.003 1100 D CA 0.923 54.899 54.000 -0.040 0.000 0.917 1100 D CB -0.315 40.456 40.800 -0.049 0.000 0.890 1100 D HN 0.661 nan 8.370 nan 0.000 0.532 1101 D N -0.290 120.070 120.400 -0.066 0.000 2.501 1101 D HA 0.079 4.721 4.640 0.002 0.000 0.226 1101 D C 1.296 177.579 176.300 -0.028 0.000 1.198 1101 D CA -0.050 53.909 54.000 -0.067 0.000 0.830 1101 D CB 0.733 41.467 40.800 -0.110 0.000 1.014 1101 D HN 0.134 nan 8.370 nan 0.000 0.496 1102 K N 0.127 120.524 120.400 -0.004 0.000 2.631 1102 K HA 0.149 4.470 4.320 0.002 0.000 0.200 1102 K C 0.923 177.557 176.600 0.057 0.000 1.481 1102 K CA -0.083 56.217 56.287 0.022 0.000 1.087 1102 K CB 1.306 33.816 32.500 0.018 0.000 1.502 1102 K HN 0.011 nan 8.250 nan 0.000 0.560 1103 I N 4.006 124.605 120.570 0.048 0.000 2.872 1103 I HA -0.038 4.133 4.170 0.002 0.000 0.287 1103 I C -0.043 176.157 176.117 0.137 0.000 1.197 1103 I CA 0.751 62.089 61.300 0.065 0.000 1.390 1103 I CB -1.404 36.620 38.000 0.040 0.000 1.400 1103 I HN 0.132 nan 8.210 nan 0.000 0.544 1104 H N 5.453 124.525 119.070 0.003 0.000 2.856 1104 H HA 0.759 5.316 4.556 0.002 0.000 0.355 1104 H C -1.615 173.720 175.328 0.011 0.000 1.079 1104 H CA -0.907 55.145 56.048 0.006 0.000 1.240 1104 H CB 1.866 31.632 29.762 0.006 0.000 1.701 1104 H HN 0.744 nan 8.280 nan 0.000 0.527 1105 A N 5.977 128.661 122.820 -0.227 0.000 2.446 1105 A HA 0.537 4.858 4.320 0.002 0.000 0.282 1105 A C -0.838 176.622 177.584 -0.207 0.000 1.102 1105 A CA -0.826 51.044 52.037 -0.279 0.000 0.737 1105 A CB 0.782 19.728 19.000 -0.091 0.000 1.212 1105 A HN 0.762 nan 8.150 nan 0.000 0.434 1106 R N 1.974 122.323 120.500 -0.253 0.000 2.732 1106 R HA 0.799 5.140 4.340 0.002 0.000 0.278 1106 R C -0.535 175.736 176.300 -0.048 0.000 0.976 1106 R CA -0.032 56.025 56.100 -0.072 0.000 0.963 1106 R CB 1.721 32.018 30.300 -0.005 0.000 1.150 1106 R HN 1.029 nan 8.270 nan 0.000 0.478 1107 A N 3.940 126.750 122.820 -0.016 0.000 3.415 1107 A HA 0.309 4.630 4.320 0.002 0.000 0.244 1107 A C -0.611 176.968 177.584 -0.008 0.000 0.988 1107 A CA -0.361 51.666 52.037 -0.016 0.000 0.991 1107 A CB 0.077 19.070 19.000 -0.012 0.000 1.240 1107 A HN 0.970 nan 8.150 nan 0.000 0.541 1108 R N -0.994 119.502 120.500 -0.007 0.000 0.952 1108 R HA 0.107 4.448 4.340 0.002 0.000 0.431 1108 R C -0.003 176.302 176.300 0.009 0.000 1.355 1108 R CA 0.816 56.914 56.100 -0.004 0.000 0.980 1108 R CB -1.019 29.275 30.300 -0.009 0.000 3.071 1108 R HN 1.893 nan 8.270 nan 0.000 0.517 1109 G N 3.230 112.035 108.800 0.010 0.000 2.604 1109 G HA2 0.575 4.536 3.960 0.002 0.000 0.242 1109 G HA3 0.575 4.536 3.960 0.002 0.000 0.242 1109 G C -2.886 172.018 174.900 0.007 0.000 1.208 1109 G CA -0.340 44.770 45.100 0.017 0.000 0.912 1109 G HN 0.555 nan 8.290 nan 0.000 0.502 1110 P HA 0.455 nan 4.420 nan 0.000 0.269 1110 P C -0.893 176.403 177.300 -0.008 0.000 1.209 1110 P CA 0.147 63.248 63.100 0.000 0.000 0.776 1110 P CB 1.191 32.894 31.700 0.006 0.000 0.876 1111 M N 1.759 121.344 119.600 -0.025 0.000 2.456 1111 M HA 0.219 4.700 4.480 0.002 0.000 0.324 1111 M C 0.194 176.468 176.300 -0.043 0.000 1.124 1111 M CA -0.459 54.817 55.300 -0.040 0.000 0.959 1111 M CB 1.775 34.334 32.600 -0.068 0.000 1.692 1111 M HN 0.249 nan 8.290 nan 0.000 0.444 1112 Q N 1.604 121.380 119.800 -0.039 0.000 2.428 1112 Q HA 0.064 4.405 4.340 0.002 0.000 0.276 1112 Q C 0.814 176.776 176.000 -0.064 0.000 1.059 1112 Q CA -0.215 55.565 55.803 -0.037 0.000 0.923 1112 Q CB 0.562 29.288 28.738 -0.021 0.000 1.283 1112 Q HN 0.689 nan 8.270 nan 0.000 0.447 1113 V N 1.720 121.604 119.914 -0.049 0.000 2.283 1113 V HA -0.235 3.886 4.120 0.002 0.000 0.243 1113 V C 1.919 177.971 176.094 -0.070 0.000 1.039 1113 V CA 1.411 63.673 62.300 -0.063 0.000 1.016 1113 V CB -0.646 31.157 31.823 -0.034 0.000 0.650 1113 V HN 0.643 nan 8.190 nan 0.000 0.449 1114 L N 1.315 122.526 121.223 -0.020 0.000 2.017 1114 L HA -0.123 4.219 4.340 0.002 0.000 0.208 1114 L C 2.367 179.293 176.870 0.095 0.000 1.073 1114 L CA 2.864 57.723 54.840 0.031 0.000 0.745 1114 L CB -0.827 41.252 42.059 0.033 0.000 0.894 1114 L HN 0.631 nan 8.230 nan 0.000 0.432 1115 T N -4.628 109.956 114.554 0.049 0.000 3.054 1115 T HA 0.168 4.519 4.350 0.002 0.000 0.255 1115 T C 0.793 175.498 174.700 0.008 0.000 1.035 1115 T CA -0.381 61.788 62.100 0.115 0.000 0.941 1115 T CB 0.022 68.926 68.868 0.059 0.000 1.026 1115 T HN 0.284 nan 8.240 nan 0.000 0.533 1116 R N 0.908 121.289 120.500 -0.198 0.000 3.741 1116 R HA -0.148 4.193 4.340 0.002 0.000 0.292 1116 R C -0.420 175.798 176.300 -0.137 0.000 1.176 1116 R CA 0.586 56.501 56.100 -0.308 0.000 0.794 1116 R CB -2.458 27.418 30.300 -0.707 0.000 1.213 1116 R HN 0.660 nan 8.270 nan 0.000 0.494 1117 Q N 0.279 120.040 119.800 -0.065 0.000 2.226 1117 Q HA 0.402 4.743 4.340 0.002 0.000 0.256 1117 Q C -2.263 173.722 176.000 -0.025 0.000 0.962 1117 Q CA -2.226 53.561 55.803 -0.027 0.000 0.887 1117 Q CB 1.472 30.211 28.738 0.001 0.000 1.282 1117 Q HN -0.134 nan 8.270 nan 0.000 0.449 1118 P HA -0.129 nan 4.420 nan 0.000 0.263 1118 P C -0.481 176.826 177.300 0.011 0.000 1.175 1118 P CA 0.197 63.298 63.100 0.002 0.000 0.761 1118 P CB 0.187 31.896 31.700 0.015 0.000 0.794 1119 V N 0.687 120.609 119.914 0.013 0.000 3.185 1119 V HA 0.228 4.349 4.120 0.002 0.000 0.305 1119 V C 0.350 176.458 176.094 0.023 0.000 1.090 1119 V CA -0.444 61.864 62.300 0.012 0.000 1.107 1119 V CB 0.424 32.252 31.823 0.007 0.000 1.061 1119 V HN 0.515 nan 8.190 nan 0.000 0.480 1120 E N 1.379 121.588 120.200 0.016 0.000 2.301 1120 E HA 0.551 4.902 4.350 0.002 0.000 0.275 1120 E C 0.140 176.742 176.600 0.002 0.000 1.030 1120 E CA 0.237 56.648 56.400 0.018 0.000 0.852 1120 E CB 1.033 30.741 29.700 0.014 0.000 1.060 1120 E HN 1.799 nan 8.360 nan 0.000 0.401 1121 G N 3.264 112.064 108.800 -0.001 0.000 2.895 1121 G HA2 -0.233 3.729 3.960 0.002 0.000 0.686 1121 G HA3 -0.233 3.729 3.960 0.002 0.000 0.686 1121 G C 0.341 175.144 174.900 -0.162 0.000 1.108 1121 G CA 0.051 45.120 45.100 -0.052 0.000 0.761 1121 G HN 0.741 nan 8.290 nan 0.000 0.611 1122 R N 1.132 121.454 120.500 -0.297 0.000 2.096 1122 R HA -0.145 4.196 4.340 0.002 0.000 0.240 1122 R C 2.670 178.756 176.300 -0.357 0.000 1.139 1122 R CA 2.585 58.293 56.100 -0.654 0.000 0.952 1122 R CB -0.516 29.520 30.300 -0.440 0.000 0.854 1122 R HN 1.142 nan 8.270 nan 0.000 0.436 1123 S N -0.313 115.278 115.700 -0.182 0.000 2.723 1123 S HA -0.033 4.438 4.470 0.002 0.000 0.231 1123 S C 1.409 175.969 174.600 -0.065 0.000 0.967 1123 S CA 0.613 58.756 58.200 -0.095 0.000 0.958 1123 S CB -0.012 63.154 63.200 -0.057 0.000 0.778 1123 S HN 0.440 nan 8.310 nan 0.000 0.537 1124 R N 0.645 121.095 120.500 -0.083 0.000 2.496 1124 R HA 0.081 4.422 4.340 0.002 0.000 0.369 1124 R C -0.952 175.332 176.300 -0.027 0.000 0.896 1124 R CA 0.393 56.471 56.100 -0.037 0.000 1.147 1124 R CB 0.125 30.410 30.300 -0.026 0.000 1.697 1124 R HN 0.304 nan 8.270 nan 0.000 0.518 1125 D N -0.083 120.283 120.400 -0.057 0.000 2.828 1125 D HA -0.132 4.509 4.640 0.002 0.000 0.241 1125 D C -0.368 175.984 176.300 0.087 0.000 1.142 1125 D CA 1.292 55.306 54.000 0.024 0.000 0.755 1125 D CB -0.816 40.016 40.800 0.053 0.000 1.014 1125 D HN 0.512 nan 8.370 nan 0.000 0.420 1126 G N -0.239 108.615 108.800 0.089 0.000 2.613 1126 G HA2 0.744 4.705 3.960 0.002 0.000 0.303 1126 G HA3 0.744 4.705 3.960 0.002 0.000 0.303 1126 G C 0.602 175.645 174.900 0.238 0.000 1.312 1126 G CA -0.347 44.828 45.100 0.126 0.000 1.036 1126 G HN 0.501 nan 8.290 nan 0.000 0.513 1127 G N -1.678 107.205 108.800 0.137 0.000 2.547 1127 G HA2 0.523 4.484 3.960 0.002 0.000 0.291 1127 G HA3 0.523 4.484 3.960 0.002 0.000 0.291 1127 G C -0.596 174.373 174.900 0.116 0.000 1.211 1127 G CA -0.714 44.447 45.100 0.102 0.000 0.950 1127 G HN 0.543 nan 8.290 nan 0.000 0.504 1128 L N -0.272 120.996 121.223 0.074 0.000 2.322 1128 L HA 0.481 4.822 4.340 0.002 0.000 0.279 1128 L C 0.815 177.744 176.870 0.099 0.000 1.036 1128 L CA -0.855 54.036 54.840 0.085 0.000 0.807 1128 L CB 1.736 43.834 42.059 0.065 0.000 1.226 1128 L HN 0.508 nan 8.230 nan 0.000 0.433 1129 R N 1.834 122.387 120.500 0.089 0.000 2.421 1129 R HA 0.090 4.431 4.340 0.002 0.000 0.305 1129 R C -0.908 175.472 176.300 0.133 0.000 1.039 1129 R CA -0.133 56.024 56.100 0.096 0.000 1.003 1129 R CB 0.233 30.567 30.300 0.056 0.000 0.959 1129 R HN 0.474 nan 8.270 nan 0.000 0.427 1130 F N 5.529 125.488 119.950 0.014 0.000 2.406 1130 F HA 0.369 4.897 4.527 0.002 0.000 0.358 1130 F C 0.556 176.368 175.800 0.019 0.000 1.161 1130 F CA -0.193 57.820 58.000 0.021 0.000 1.185 1130 F CB 0.391 39.398 39.000 0.011 0.000 1.421 1130 F HN 0.667 nan 8.300 nan 0.000 0.576 1131 G N 3.678 112.393 108.800 -0.142 0.000 2.651 1131 G HA2 0.093 4.054 3.960 0.002 0.000 0.260 1131 G HA3 0.093 4.054 3.960 0.002 0.000 0.260 1131 G C 0.668 175.501 174.900 -0.112 0.000 1.216 1131 G CA -0.148 44.902 45.100 -0.084 0.000 0.913 1131 G HN 0.765 nan 8.290 nan 0.000 0.535 1132 E N -0.287 119.887 120.200 -0.043 0.000 2.274 1132 E HA -0.129 4.223 4.350 0.002 0.000 0.194 1132 E C 2.119 178.684 176.600 -0.059 0.000 0.996 1132 E CA 0.628 57.014 56.400 -0.023 0.000 0.840 1132 E CB -0.106 29.595 29.700 0.001 0.000 0.772 1132 E HN 0.503 nan 8.360 nan 0.000 0.491 1133 M N 0.639 120.188 119.600 -0.084 0.000 2.254 1133 M HA -0.107 4.374 4.480 0.002 0.000 0.265 1133 M C 1.228 177.449 176.300 -0.131 0.000 1.066 1133 M CA 1.477 56.725 55.300 -0.086 0.000 1.123 1133 M CB 0.277 32.832 32.600 -0.075 0.000 1.388 1133 M HN -0.047 nan 8.290 nan 0.000 0.425 1134 E N -0.049 120.004 120.200 -0.245 0.000 2.076 1134 E HA -0.127 4.225 4.350 0.002 0.000 0.190 1134 E C 1.890 178.290 176.600 -0.332 0.000 0.979 1134 E CA 0.890 57.060 56.400 -0.384 0.000 0.807 1134 E CB -0.437 28.797 29.700 -0.775 0.000 0.761 1134 E HN 0.409 nan 8.360 nan 0.000 0.454 1135 R N 1.036 121.373 120.500 -0.273 0.000 2.139 1135 R HA -0.210 4.131 4.340 0.002 0.000 0.243 1135 R C 0.814 177.154 176.300 0.067 0.000 1.145 1135 R CA 1.788 57.921 56.100 0.054 0.000 0.976 1135 R CB -0.160 30.212 30.300 0.121 0.000 0.866 1135 R HN 0.137 nan 8.270 nan 0.000 0.449 1136 D N 0.287 120.687 120.400 -0.000 0.000 2.097 1136 D HA -0.140 4.501 4.640 0.002 0.000 0.195 1136 D C 1.981 178.285 176.300 0.006 0.000 0.989 1136 D CA 1.446 55.449 54.000 0.004 0.000 0.827 1136 D CB -0.672 40.115 40.800 -0.021 0.000 0.966 1136 D HN 0.334 nan 8.370 nan 0.000 0.456 1137 C N 0.411 119.706 119.300 -0.008 0.000 2.410 1137 C HA -0.072 4.389 4.460 0.002 0.000 0.281 1137 C C 2.533 177.591 174.990 0.114 0.000 1.318 1137 C CA 0.340 59.358 59.018 -0.001 0.000 1.776 1137 C CB -0.704 27.050 27.740 0.022 0.000 1.942 1137 C HN 0.259 nan 8.230 nan 0.000 0.508 1138 M N 0.063 119.778 119.600 0.192 0.000 2.334 1138 M HA 0.154 4.635 4.480 0.002 0.000 0.266 1138 M C 1.882 178.316 176.300 0.224 0.000 1.082 1138 M CA 1.073 56.557 55.300 0.306 0.000 1.141 1138 M CB -0.730 32.124 32.600 0.424 0.000 1.380 1138 M HN 0.297 nan 8.290 nan 0.000 0.440 1139 I N -0.622 120.034 120.570 0.143 0.000 2.252 1139 I HA -0.232 3.939 4.170 0.002 0.000 0.245 1139 I C 2.324 178.476 176.117 0.057 0.000 1.102 1139 I CA 1.081 62.440 61.300 0.097 0.000 1.385 1139 I CB -0.572 37.469 38.000 0.068 0.000 1.064 1139 I HN 0.216 nan 8.210 nan 0.000 0.414 1140 A N 0.165 122.984 122.820 -0.001 0.000 1.948 1140 A HA -0.294 4.027 4.320 0.002 0.000 0.220 1140 A C 2.037 179.575 177.584 -0.077 0.000 1.177 1140 A CA 1.987 53.979 52.037 -0.076 0.000 0.636 1140 A CB -1.195 17.705 19.000 -0.167 0.000 0.815 1140 A HN 0.504 nan 8.150 nan 0.000 0.449 1141 H N -1.989 117.093 119.070 0.021 0.000 2.495 1141 H HA 0.244 4.801 4.556 0.002 0.000 0.287 1141 H C 1.735 177.074 175.328 0.019 0.000 1.033 1141 H CA 0.821 56.876 56.048 0.012 0.000 1.307 1141 H CB 0.148 29.912 29.762 0.002 0.000 1.401 1141 H HN 0.687 nan 8.280 nan 0.000 0.555 1142 G N -0.033 108.859 108.800 0.153 0.000 2.176 1142 G HA2 -0.315 3.647 3.960 0.002 0.000 0.253 1142 G HA3 -0.315 3.647 3.960 0.002 0.000 0.253 1142 G C 0.618 175.584 174.900 0.111 0.000 0.979 1142 G CA 0.130 45.293 45.100 0.105 0.000 0.641 1142 G HN 0.616 nan 8.290 nan 0.000 0.530 1143 A N 0.373 123.280 122.820 0.143 0.000 2.993 1143 A HA 0.714 5.035 4.320 0.002 0.000 0.281 1143 A C 1.749 179.440 177.584 0.177 0.000 1.847 1143 A CA 1.223 53.345 52.037 0.142 0.000 1.470 1143 A CB -0.420 18.647 19.000 0.111 0.000 1.028 1143 A HN 1.741 nan 8.150 nan 0.000 0.604 1144 A N 1.351 124.245 122.820 0.124 0.000 1.874 1144 A HA 0.011 4.332 4.320 0.002 0.000 0.214 1144 A C 2.413 180.053 177.584 0.092 0.000 1.189 1144 A CA 1.773 53.871 52.037 0.103 0.000 0.615 1144 A CB -0.603 18.440 19.000 0.071 0.000 0.830 1144 A HN 0.641 nan 8.150 nan 0.000 0.443 1145 S N -0.712 115.042 115.700 0.091 0.000 2.368 1145 S HA -0.155 4.316 4.470 0.002 0.000 0.225 1145 S C 1.678 176.318 174.600 0.066 0.000 1.030 1145 S CA 1.560 59.801 58.200 0.068 0.000 0.999 1145 S CB -0.531 62.710 63.200 0.067 0.000 0.844 1145 S HN 0.640 nan 8.310 nan 0.000 0.459 1146 F N 1.842 121.784 119.950 -0.013 0.000 2.206 1146 F HA 0.089 4.617 4.527 0.002 0.000 0.298 1146 F C 1.863 177.628 175.800 -0.058 0.000 1.090 1146 F CA 0.845 58.825 58.000 -0.034 0.000 1.323 1146 F CB -0.218 38.770 39.000 -0.019 0.000 1.028 1146 F HN 0.095 nan 8.300 nan 0.000 0.492 1147 L N 0.503 121.735 121.223 0.015 0.000 2.056 1147 L HA -0.201 4.140 4.340 0.002 0.000 0.207 1147 L C 2.619 179.394 176.870 -0.159 0.000 1.078 1147 L CA 1.555 56.354 54.840 -0.068 0.000 0.749 1147 L CB -0.558 41.580 42.059 0.133 0.000 0.901 1147 L HN 0.182 nan 8.230 nan 0.000 0.433 1148 K N 0.065 120.411 120.400 -0.090 0.000 2.025 1148 K HA -0.262 4.059 4.320 0.002 0.000 0.207 1148 K C 1.953 178.460 176.600 -0.156 0.000 1.049 1148 K CA 1.643 57.880 56.287 -0.085 0.000 0.933 1148 K CB -0.094 32.386 32.500 -0.032 0.000 0.714 1148 K HN 0.328 nan 8.250 nan 0.000 0.438 1149 E N 0.580 120.657 120.200 -0.204 0.000 2.058 1149 E HA -0.220 4.131 4.350 0.002 0.000 0.194 1149 E C 1.990 178.374 176.600 -0.361 0.000 0.997 1149 E CA 0.975 57.227 56.400 -0.246 0.000 0.801 1149 E CB 0.073 29.643 29.700 -0.216 0.000 0.746 1149 E HN 0.191 nan 8.360 nan 0.000 0.450 1150 R N -0.101 120.032 120.500 -0.610 0.000 2.139 1150 R HA -0.140 4.201 4.340 0.002 0.000 0.243 1150 R C 1.891 177.940 176.300 -0.418 0.000 1.145 1150 R CA 0.773 56.468 56.100 -0.675 0.000 0.976 1150 R CB -0.354 29.240 30.300 -1.177 0.000 0.866 1150 R HN 0.230 nan 8.270 nan 0.000 0.449 1151 L N -0.487 120.554 121.223 -0.303 0.000 2.700 1151 L HA 0.155 4.496 4.340 0.002 0.000 0.234 1151 L C 1.300 178.111 176.870 -0.099 0.000 1.156 1151 L CA 0.532 55.275 54.840 -0.162 0.000 0.946 1151 L CB 0.245 42.245 42.059 -0.100 0.000 1.216 1151 L HN 0.033 nan 8.230 nan 0.000 0.493 1152 M N -2.234 117.296 119.600 -0.118 0.000 2.331 1152 M HA 0.168 4.649 4.480 0.002 0.000 0.187 1152 M C 1.671 177.922 176.300 -0.083 0.000 1.915 1152 M CA 0.463 55.719 55.300 -0.073 0.000 1.082 1152 M CB -0.274 32.287 32.600 -0.064 0.000 1.445 1152 M HN -0.133 nan 8.290 nan 0.000 0.602 1153 E N 1.892 122.028 120.200 -0.108 0.000 2.007 1153 E HA 0.071 4.423 4.350 0.002 0.000 0.194 1153 E C 0.861 177.404 176.600 -0.094 0.000 0.999 1153 E CA 1.255 57.597 56.400 -0.097 0.000 0.811 1153 E CB -0.518 29.122 29.700 -0.101 0.000 0.762 1153 E HN 0.488 nan 8.360 nan 0.000 0.450 1154 A N 0.198 122.943 122.820 -0.127 0.000 2.425 1154 A HA 0.384 4.705 4.320 0.002 0.000 0.242 1154 A C 0.942 178.464 177.584 -0.103 0.000 1.077 1154 A CA 0.402 52.368 52.037 -0.118 0.000 0.781 1154 A CB 0.294 19.197 19.000 -0.161 0.000 1.020 1154 A HN 0.223 nan 8.150 nan 0.000 0.494 1155 S N 0.217 115.875 115.700 -0.071 0.000 3.938 1155 S HA -0.243 4.228 4.470 0.002 0.000 0.624 1155 S C 1.097 175.677 174.600 -0.034 0.000 2.186 1155 S CA 1.483 59.655 58.200 -0.047 0.000 4.144 1155 S CB -1.805 61.367 63.200 -0.046 0.000 0.230 1155 S HN 0.944 nan 8.310 nan 0.000 0.755 1156 D N 1.048 121.440 120.400 -0.014 0.000 1.585 1156 D HA 0.400 5.041 4.640 0.002 0.000 0.318 1156 D C 0.835 177.163 176.300 0.047 0.000 1.129 1156 D CA 1.954 55.971 54.000 0.029 0.000 0.954 1156 D CB -1.050 39.787 40.800 0.062 0.000 1.611 1156 D HN 1.808 nan 8.370 nan 0.000 0.555 1157 A N -1.088 121.787 122.820 0.092 0.000 2.435 1157 A HA 0.103 4.424 4.320 0.002 0.000 0.686 1157 A C -0.749 176.996 177.584 0.269 0.000 0.138 1157 A CA 0.084 52.184 52.037 0.106 0.000 0.025 1157 A CB -1.509 17.502 19.000 0.019 0.000 3.974 1157 A HN 0.377 nan 8.150 nan 0.000 0.548 1158 F N 2.459 122.448 119.950 0.065 0.000 2.704 1158 F HA 0.648 5.176 4.527 0.002 0.000 0.312 1158 F C -0.589 175.297 175.800 0.143 0.000 1.108 1158 F CA -0.399 57.674 58.000 0.123 0.000 1.005 1158 F CB 1.080 40.224 39.000 0.240 0.000 1.277 1158 F HN 0.956 nan 8.300 nan 0.000 0.445 1159 R N 4.855 125.078 120.500 -0.462 0.000 2.346 1159 R HA 0.817 5.158 4.340 0.002 0.000 0.311 1159 R C -1.824 173.925 176.300 -0.919 0.000 0.983 1159 R CA -0.235 55.604 56.100 -0.436 0.000 0.880 1159 R CB 1.367 31.573 30.300 -0.156 0.000 1.100 1159 R HN 0.554 nan 8.270 nan 0.000 0.453 1160 V N 2.852 122.419 119.914 -0.579 0.000 3.141 1160 V HA 0.462 4.583 4.120 0.002 0.000 0.312 1160 V C -0.431 175.385 176.094 -0.463 0.000 1.157 1160 V CA -1.011 61.031 62.300 -0.430 0.000 1.041 1160 V CB 2.248 33.971 31.823 -0.166 0.000 1.071 1160 V HN 0.751 nan 8.190 nan 0.000 0.441 1161 H N 1.913 120.946 119.070 -0.062 0.000 2.459 1161 H HA 0.555 5.112 4.556 0.002 0.000 0.332 1161 H C -1.173 174.124 175.328 -0.052 0.000 1.094 1161 H CA -0.512 55.504 56.048 -0.054 0.000 1.224 1161 H CB 2.049 31.805 29.762 -0.009 0.000 1.449 1161 H HN 0.276 nan 8.280 nan 0.000 0.484 1162 I N 2.255 122.831 120.570 0.009 0.000 2.441 1162 I HA 0.009 4.180 4.170 0.002 0.000 0.295 1162 I C 0.885 176.952 176.117 -0.084 0.000 0.994 1162 I CA -0.716 60.559 61.300 -0.041 0.000 1.144 1162 I CB 1.337 39.303 38.000 -0.057 0.000 1.314 1162 I HN 0.611 nan 8.210 nan 0.000 0.445 1163 C N 5.633 124.877 119.300 -0.094 0.000 2.648 1163 C HA 0.302 4.763 4.460 0.002 0.000 0.415 1163 C C 1.827 176.733 174.990 -0.140 0.000 1.366 1163 C CA -0.019 58.933 59.018 -0.110 0.000 1.756 1163 C CB -0.463 27.230 27.740 -0.078 0.000 2.549 1163 C HN 1.023 nan 8.230 nan 0.000 0.597 1164 G N 5.092 113.801 108.800 -0.152 0.000 2.534 1164 G HA2 0.009 3.970 3.960 0.002 0.000 0.217 1164 G HA3 0.009 3.970 3.960 0.002 0.000 0.217 1164 G C 1.091 176.023 174.900 0.054 0.000 1.128 1164 G CA 0.711 45.771 45.100 -0.067 0.000 0.784 1164 G HN 0.756 nan 8.290 nan 0.000 0.542 1165 I N 0.813 121.398 120.570 0.024 0.000 2.962 1165 I HA 0.027 4.199 4.170 0.002 0.000 0.246 1165 I C 2.974 179.163 176.117 0.121 0.000 1.091 1165 I CA 0.613 61.967 61.300 0.091 0.000 1.469 1165 I CB -1.176 36.848 38.000 0.039 0.000 1.324 1165 I HN 0.279 nan 8.210 nan 0.000 0.461 1166 c N 1.106 119.725 118.600 0.032 0.000 2.440 1166 c HA 0.304 4.875 4.570 0.002 0.000 0.278 1166 c C 1.939 175.988 174.090 -0.068 0.000 1.295 1166 c CA 0.245 56.586 56.329 0.019 0.000 1.738 1166 c CB -1.322 41.185 42.510 -0.005 0.000 1.987 1166 c HN 0.776 nan 8.230 nan 0.000 0.492 1167 G N 0.544 109.204 108.800 -0.233 0.000 2.136 1167 G HA2 -0.185 3.777 3.960 0.002 0.000 0.242 1167 G HA3 -0.185 3.777 3.960 0.002 0.000 0.242 1167 G C -0.225 174.508 174.900 -0.279 0.000 0.989 1167 G CA 0.411 45.223 45.100 -0.481 0.000 0.682 1167 G HN 0.628 nan 8.290 nan 0.000 0.522 1168 L N -1.265 119.867 121.223 -0.151 0.000 2.286 1168 L HA 0.667 5.008 4.340 0.002 0.000 0.265 1168 L C 1.449 178.295 176.870 -0.041 0.000 1.012 1168 L CA -1.349 53.438 54.840 -0.088 0.000 0.818 1168 L CB 1.290 43.321 42.059 -0.047 0.000 1.337 1168 L HN -0.001 nan 8.230 nan 0.000 0.438 1169 M N 0.270 119.873 119.600 0.005 0.000 2.915 1169 M HA 0.012 4.494 4.480 0.002 0.000 0.206 1169 M C 0.846 177.177 176.300 0.051 0.000 1.271 1169 M CA 0.247 55.575 55.300 0.046 0.000 1.122 1169 M CB -0.497 32.154 32.600 0.085 0.000 1.655 1169 M HN 0.674 nan 8.290 nan 0.000 0.434 1170 T N -1.486 113.084 114.554 0.027 0.000 2.985 1170 T HA 0.037 4.388 4.350 0.002 0.000 0.266 1170 T C 0.840 175.560 174.700 0.034 0.000 1.076 1170 T CA 0.228 62.345 62.100 0.027 0.000 1.135 1170 T CB -0.101 68.773 68.868 0.011 0.000 0.890 1170 T HN 0.171 nan 8.240 nan 0.000 0.480 1171 V N 2.913 122.850 119.914 0.039 0.000 2.509 1171 V HA 0.016 4.137 4.120 0.002 0.000 0.297 1171 V C 0.310 176.436 176.094 0.053 0.000 1.014 1171 V CA -0.094 62.233 62.300 0.044 0.000 1.127 1171 V CB -0.614 31.242 31.823 0.055 0.000 0.925 1171 V HN 0.322 nan 8.190 nan 0.000 0.480 1172 I N 5.045 125.634 120.570 0.031 0.000 2.308 1172 I HA 0.346 4.517 4.170 0.002 0.000 0.293 1172 I C 0.820 176.927 176.117 -0.016 0.000 1.078 1172 I CA 0.550 61.859 61.300 0.016 0.000 1.292 1172 I CB 1.043 39.044 38.000 0.003 0.000 1.423 1172 I HN 0.696 nan 8.210 nan 0.000 0.493 1173 A N 7.090 129.882 122.820 -0.046 0.000 2.527 1173 A HA 0.317 4.639 4.320 0.002 0.000 0.313 1173 A C 0.443 177.917 177.584 -0.183 0.000 1.410 1173 A CA -0.574 51.368 52.037 -0.158 0.000 1.060 1173 A CB -0.396 18.407 19.000 -0.330 0.000 1.137 1173 A HN 0.671 nan 8.150 nan 0.000 0.542 1174 K N 2.908 123.154 120.400 -0.257 0.000 2.737 1174 K HA 0.198 4.519 4.320 0.002 0.000 0.251 1174 K C -0.165 176.271 176.600 -0.273 0.000 1.280 1174 K CA -0.011 56.158 56.287 -0.197 0.000 1.219 1174 K CB -0.136 32.266 32.500 -0.163 0.000 1.587 1174 K HN 0.752 nan 8.250 nan 0.000 0.279 1175 L N 1.633 122.710 121.223 -0.243 0.000 2.439 1175 L HA -0.025 4.316 4.340 0.002 0.000 0.269 1175 L C 1.113 177.915 176.870 -0.112 0.000 1.179 1175 L CA 0.710 55.416 54.840 -0.224 0.000 0.828 1175 L CB 0.328 42.359 42.059 -0.046 0.000 1.106 1175 L HN 0.775 nan 8.230 nan 0.000 0.467 1176 N N 0.412 119.045 118.700 -0.112 0.000 2.811 1176 N HA -0.321 4.420 4.740 0.002 0.000 0.211 1176 N C 0.675 176.053 175.510 -0.219 0.000 0.990 1176 N CA 1.824 54.801 53.050 -0.121 0.000 1.362 1176 N CB -1.157 37.275 38.487 -0.092 0.000 0.940 1176 N HN 0.832 nan 8.380 nan 0.000 0.572 1177 H N 0.211 119.199 119.070 -0.135 0.000 2.539 1177 H HA 0.229 4.786 4.556 0.002 0.000 0.269 1177 H C 1.126 176.338 175.328 -0.194 0.000 0.980 1177 H CA 0.923 56.891 56.048 -0.135 0.000 1.152 1177 H CB -0.077 29.613 29.762 -0.119 0.000 1.407 1177 H HN 0.579 nan 8.280 nan 0.000 0.564 1178 N N 0.157 118.724 118.700 -0.221 0.000 2.946 1178 N HA -0.230 4.512 4.740 0.002 0.000 0.228 1178 N C -0.424 174.802 175.510 -0.473 0.000 0.873 1178 N CA 0.796 53.643 53.050 -0.338 0.000 1.029 1178 N CB -0.589 37.837 38.487 -0.102 0.000 1.047 1178 N HN 0.366 nan 8.380 nan 0.000 0.612 1179 Q N -0.294 119.296 119.800 -0.350 0.000 2.332 1179 Q HA 0.343 4.685 4.340 0.002 0.000 0.263 1179 Q C 0.112 175.814 176.000 -0.496 0.000 0.979 1179 Q CA 0.381 56.025 55.803 -0.265 0.000 0.885 1179 Q CB 0.545 29.199 28.738 -0.140 0.000 1.218 1179 Q HN 0.269 nan 8.270 nan 0.000 0.405 1180 F N 0.504 120.414 119.950 -0.067 0.000 2.393 1180 F HA 0.200 4.728 4.527 0.002 0.000 0.205 1180 F C 0.192 175.940 175.800 -0.086 0.000 1.104 1180 F CA 0.246 58.182 58.000 -0.106 0.000 1.070 1180 F CB 0.169 39.093 39.000 -0.126 0.000 1.368 1180 F HN 0.705 nan 8.300 nan 0.000 0.607 1181 E N -0.194 120.097 120.200 0.150 0.000 8.389 1181 E HA -0.286 4.065 4.350 0.002 0.000 0.468 1181 E C -1.535 175.081 176.600 0.028 0.000 0.993 1181 E CA 0.161 56.592 56.400 0.051 0.000 1.743 1181 E CB -1.163 28.552 29.700 0.024 0.000 0.996 1181 E HN 0.596 nan 8.360 nan 0.000 0.262 1182 C N 5.082 124.387 119.300 0.009 0.000 2.789 1182 C HA 0.538 4.999 4.460 0.002 0.000 0.324 1182 C C 0.153 175.143 174.990 0.001 0.000 1.042 1182 C CA 0.076 59.096 59.018 0.004 0.000 1.396 1182 C CB -0.457 27.279 27.740 -0.006 0.000 1.870 1182 C HN 0.804 nan 8.230 nan 0.000 0.470 1183 K N 4.286 124.687 120.400 0.002 0.000 2.230 1183 K HA 0.571 4.892 4.320 0.002 0.000 0.253 1183 K C 1.281 177.882 176.600 0.001 0.000 1.008 1183 K CA 0.821 57.108 56.287 0.000 0.000 0.910 1183 K CB 0.344 32.843 32.500 -0.001 0.000 0.994 1183 K HN 1.647 nan 8.250 nan 0.000 0.495 1184 G N 0.620 109.420 108.800 0.001 0.000 4.825 1184 G HA2 -0.472 3.489 3.960 0.002 0.000 0.224 1184 G HA3 -0.472 3.489 3.960 0.002 0.000 0.224 1184 G C 1.364 176.266 174.900 0.003 0.000 1.356 1184 G CA 0.448 45.550 45.100 0.002 0.000 0.966 1184 G HN 0.945 nan 8.290 nan 0.000 0.690 1185 c N 1.950 120.552 118.600 0.003 0.000 2.443 1185 c HA 0.310 4.881 4.570 0.002 0.000 0.290 1185 c C 1.372 175.462 174.090 0.000 0.000 1.476 1185 c CA 1.216 57.547 56.329 0.003 0.000 1.772 1185 c CB -1.956 40.555 42.510 0.001 0.000 1.714 1185 c HN 0.833 nan 8.230 nan 0.000 0.562 1186 D N 1.096 121.495 120.400 -0.001 0.000 2.689 1186 D HA -0.158 4.483 4.640 0.002 0.000 0.237 1186 D C -0.497 175.800 176.300 -0.005 0.000 1.148 1186 D CA 0.972 54.971 54.000 -0.002 0.000 0.656 1186 D CB -1.141 39.659 40.800 -0.001 0.000 1.050 1186 D HN 0.721 nan 8.370 nan 0.000 0.426 1187 N N 0.016 118.711 118.700 -0.008 0.000 2.362 1187 N HA 0.624 5.365 4.740 0.002 0.000 0.299 1187 N C 0.368 175.872 175.510 -0.010 0.000 1.170 1187 N CA -0.497 52.544 53.050 -0.016 0.000 0.825 1187 N CB 1.282 39.751 38.487 -0.030 0.000 1.299 1187 N HN 0.023 nan 8.380 nan 0.000 0.502 1188 K N 0.841 121.233 120.400 -0.013 0.000 2.613 1188 K HA 0.338 4.659 4.320 0.002 0.000 0.209 1188 K C 0.124 176.724 176.600 0.001 0.000 1.556 1188 K CA 0.134 56.425 56.287 0.006 0.000 1.017 1188 K CB 0.675 33.181 32.500 0.009 0.000 1.291 1188 K HN 0.360 nan 8.250 nan 0.000 0.629 1189 I N -0.064 120.484 120.570 -0.038 0.000 3.650 1189 I HA 0.087 4.258 4.170 0.002 0.000 0.261 1189 I C -0.112 175.914 176.117 -0.152 0.000 1.154 1189 I CA 0.020 61.283 61.300 -0.062 0.000 1.418 1189 I CB 0.213 38.190 38.000 -0.037 0.000 1.539 1189 I HN -0.148 nan 8.210 nan 0.000 0.449 1190 D N 2.582 122.883 120.400 -0.165 0.000 2.422 1190 D HA 0.314 4.955 4.640 0.002 0.000 0.263 1190 D C -0.780 175.242 176.300 -0.464 0.000 1.334 1190 D CA 0.863 54.685 54.000 -0.297 0.000 1.105 1190 D CB -0.238 40.465 40.800 -0.162 0.000 1.107 1190 D HN 0.112 nan 8.370 nan 0.000 0.522 1191 I N 2.765 122.915 120.570 -0.700 0.000 2.610 1191 I HA 0.274 4.445 4.170 0.002 0.000 0.289 1191 I C -0.946 174.697 176.117 -0.789 0.000 1.163 1191 I CA -0.833 60.079 61.300 -0.647 0.000 1.044 1191 I CB 1.384 39.150 38.000 -0.390 0.000 1.251 1191 I HN 0.120 nan 8.210 nan 0.000 0.424 1192 Y N 3.598 123.819 120.300 -0.131 0.000 2.509 1192 Y HA 0.561 5.112 4.550 0.002 0.000 0.341 1192 Y C -0.181 175.616 175.900 -0.171 0.000 1.038 1192 Y CA -1.049 56.961 58.100 -0.151 0.000 1.089 1192 Y CB 1.682 40.062 38.460 -0.133 0.000 1.241 1192 Y HN 0.454 nan 8.280 nan 0.000 0.468 1193 Q N 3.489 123.242 119.800 -0.079 0.000 2.241 1193 Q HA 0.626 4.968 4.340 0.002 0.000 0.254 1193 Q C -0.883 174.942 176.000 -0.292 0.000 0.917 1193 Q CA -0.920 54.698 55.803 -0.308 0.000 0.919 1193 Q CB 2.219 30.709 28.738 -0.412 0.000 1.237 1193 Q HN 0.632 nan 8.270 nan 0.000 0.434 1194 I N -0.707 119.678 120.570 -0.307 0.000 2.957 1194 I HA 0.501 4.672 4.170 0.002 0.000 0.310 1194 I C -1.269 174.680 176.117 -0.279 0.000 1.063 1194 I CA -1.097 60.030 61.300 -0.288 0.000 1.033 1194 I CB 2.000 39.924 38.000 -0.127 0.000 1.230 1194 I HN 0.725 nan 8.210 nan 0.000 0.447 1195 H N 6.071 125.102 119.070 -0.067 0.000 2.581 1195 H HA 0.603 5.161 4.556 0.002 0.000 0.308 1195 H C -0.101 175.226 175.328 -0.002 0.000 1.040 1195 H CA -0.489 55.531 56.048 -0.046 0.000 1.231 1195 H CB 1.330 31.072 29.762 -0.033 0.000 1.396 1195 H HN 0.637 nan 8.280 nan 0.000 0.467 1196 I N 0.502 121.161 120.570 0.148 0.000 2.828 1196 I HA 0.509 4.680 4.170 0.002 0.000 0.302 1196 I C -2.954 173.244 176.117 0.134 0.000 1.101 1196 I CA -2.784 58.587 61.300 0.117 0.000 1.031 1196 I CB 2.734 40.797 38.000 0.104 0.000 1.231 1196 I HN 0.109 nan 8.210 nan 0.000 0.427 1197 P HA -0.120 nan 4.420 nan 0.000 0.263 1197 P C 0.256 177.628 177.300 0.119 0.000 1.168 1197 P CA 0.526 63.678 63.100 0.087 0.000 0.759 1197 P CB 0.361 32.074 31.700 0.021 0.000 0.782 1198 Y N 4.155 124.487 120.300 0.054 0.000 2.298 1198 Y HA -0.257 4.294 4.550 0.002 0.000 0.287 1198 Y C 2.362 178.226 175.900 -0.059 0.000 1.164 1198 Y CA 2.320 60.416 58.100 -0.006 0.000 1.229 1198 Y CB -0.556 37.814 38.460 -0.149 0.000 0.977 1198 Y HN 0.470 nan 8.280 nan 0.000 0.538 1199 A N -0.089 122.735 122.820 0.006 0.000 1.929 1199 A HA -0.028 4.293 4.320 0.002 0.000 0.216 1199 A C 2.405 179.856 177.584 -0.223 0.000 1.176 1199 A CA 1.420 53.411 52.037 -0.078 0.000 0.628 1199 A CB -1.293 17.699 19.000 -0.014 0.000 0.816 1199 A HN 0.547 nan 8.150 nan 0.000 0.444 1200 A N 0.227 122.893 122.820 -0.257 0.000 1.877 1200 A HA -0.167 4.154 4.320 0.002 0.000 0.216 1200 A C 2.169 179.363 177.584 -0.650 0.000 1.186 1200 A CA 1.970 53.697 52.037 -0.516 0.000 0.620 1200 A CB -0.512 18.234 19.000 -0.423 0.000 0.822 1200 A HN 0.412 nan 8.150 nan 0.000 0.443 1201 K N -0.097 120.089 120.400 -0.356 0.000 2.052 1201 K HA -0.202 4.119 4.320 0.002 0.000 0.215 1201 K C 1.924 178.344 176.600 -0.299 0.000 1.053 1201 K CA 1.817 57.961 56.287 -0.239 0.000 0.934 1201 K CB -0.630 31.757 32.500 -0.188 0.000 0.717 1201 K HN 0.396 nan 8.250 nan 0.000 0.450 1202 L N 0.946 121.918 121.223 -0.418 0.000 1.990 1202 L HA -0.247 4.095 4.340 0.002 0.000 0.213 1202 L C 2.758 179.522 176.870 -0.177 0.000 1.072 1202 L CA 1.520 56.202 54.840 -0.264 0.000 0.755 1202 L CB -1.017 40.917 42.059 -0.209 0.000 0.889 1202 L HN 0.300 nan 8.230 nan 0.000 0.432 1203 L N -0.341 120.721 121.223 -0.267 0.000 2.013 1203 L HA -0.262 4.079 4.340 0.002 0.000 0.212 1203 L C 2.401 179.251 176.870 -0.032 0.000 1.073 1203 L CA 1.916 56.632 54.840 -0.207 0.000 0.753 1203 L CB -0.744 41.105 42.059 -0.349 0.000 0.890 1203 L HN 0.108 nan 8.230 nan 0.000 0.432 1204 F N -1.003 118.932 119.950 -0.026 0.000 2.113 1204 F HA -0.247 4.281 4.527 0.002 0.000 0.297 1204 F C 2.578 178.370 175.800 -0.014 0.000 1.103 1204 F CA 0.910 58.900 58.000 -0.016 0.000 1.248 1204 F CB -0.418 38.571 39.000 -0.017 0.000 0.999 1204 F HN 0.163 nan 8.300 nan 0.000 0.475 1205 Q N 0.544 120.436 119.800 0.152 0.000 2.061 1205 Q HA -0.247 4.094 4.340 0.002 0.000 0.204 1205 Q C 1.975 178.010 176.000 0.058 0.000 0.984 1205 Q CA 1.900 57.750 55.803 0.078 0.000 0.846 1205 Q CB -0.312 28.446 28.738 0.033 0.000 0.902 1205 Q HN 0.509 nan 8.270 nan 0.000 0.421 1206 E N 0.491 120.715 120.200 0.040 0.000 2.077 1206 E HA -0.158 4.194 4.350 0.002 0.000 0.193 1206 E C 2.012 178.642 176.600 0.051 0.000 0.989 1206 E CA 0.778 57.198 56.400 0.033 0.000 0.800 1206 E CB -0.041 29.667 29.700 0.013 0.000 0.746 1206 E HN 0.291 nan 8.360 nan 0.000 0.452 1207 L N 0.079 121.351 121.223 0.082 0.000 2.083 1207 L HA -0.211 4.130 4.340 0.002 0.000 0.209 1207 L C 2.474 179.384 176.870 0.067 0.000 1.083 1207 L CA 1.037 55.930 54.840 0.087 0.000 0.752 1207 L CB -0.291 41.851 42.059 0.138 0.000 0.899 1207 L HN 0.264 nan 8.230 nan 0.000 0.433 1208 M N -0.884 118.758 119.600 0.070 0.000 2.132 1208 M HA -0.155 4.326 4.480 0.002 0.000 0.263 1208 M C 2.473 178.795 176.300 0.038 0.000 1.065 1208 M CA 1.813 57.142 55.300 0.048 0.000 1.122 1208 M CB -0.389 32.240 32.600 0.049 0.000 1.365 1208 M HN 0.289 nan 8.290 nan 0.000 0.411 1209 A N -0.249 122.594 122.820 0.038 0.000 1.930 1209 A HA -0.160 4.161 4.320 0.002 0.000 0.217 1209 A C 2.053 179.652 177.584 0.027 0.000 1.175 1209 A CA 1.407 53.462 52.037 0.030 0.000 0.627 1209 A CB -0.571 18.446 19.000 0.027 0.000 0.815 1209 A HN 0.468 nan 8.150 nan 0.000 0.443 1210 M N -0.444 119.174 119.600 0.030 0.000 2.549 1210 M HA 0.004 4.486 4.480 0.002 0.000 0.260 1210 M C 0.374 176.689 176.300 0.026 0.000 1.076 1210 M CA 0.731 56.048 55.300 0.027 0.000 1.090 1210 M CB -0.476 32.144 32.600 0.032 0.000 1.418 1210 M HN 0.543 nan 8.290 nan 0.000 0.486 1211 N N 1.182 119.898 118.700 0.027 0.000 2.556 1211 N HA -0.162 4.579 4.740 0.002 0.000 0.276 1211 N C -1.665 173.859 175.510 0.025 0.000 1.259 1211 N CA 0.635 53.699 53.050 0.024 0.000 0.654 1211 N CB -1.145 37.354 38.487 0.019 0.000 0.889 1211 N HN 0.462 nan 8.380 nan 0.000 0.547 1212 I N 1.073 121.659 120.570 0.027 0.000 2.753 1212 I HA 0.149 4.320 4.170 0.002 0.000 0.291 1212 I C -0.143 175.986 176.117 0.019 0.000 1.425 1212 I CA -0.592 60.723 61.300 0.025 0.000 1.039 1212 I CB 2.144 40.164 38.000 0.034 0.000 1.349 1212 I HN 0.315 nan 8.210 nan 0.000 0.430 1213 T N 2.139 116.698 114.554 0.008 0.000 2.853 1213 T HA 0.540 4.891 4.350 0.002 0.000 0.317 1213 T C -2.661 172.015 174.700 -0.040 0.000 1.059 1213 T CA -1.869 60.225 62.100 -0.009 0.000 0.954 1213 T CB 0.486 69.355 68.868 0.002 0.000 0.994 1213 T HN 0.149 nan 8.240 nan 0.000 0.479 1214 P HA 0.397 nan 4.420 nan 0.000 0.283 1214 P C -0.398 176.717 177.300 -0.309 0.000 1.412 1214 P CA -0.579 62.383 63.100 -0.230 0.000 0.912 1214 P CB 0.429 31.905 31.700 -0.372 0.000 1.132 1215 R N 2.994 123.393 120.500 -0.170 0.000 2.265 1215 R HA 0.486 4.827 4.340 0.002 0.000 0.319 1215 R C -0.197 175.973 176.300 -0.217 0.000 1.006 1215 R CA -0.764 55.242 56.100 -0.157 0.000 0.880 1215 R CB 1.028 31.391 30.300 0.105 0.000 1.077 1215 R HN 0.411 nan 8.270 nan 0.000 0.454 1216 L N 4.221 125.202 121.223 -0.404 0.000 2.275 1216 L HA 0.408 4.749 4.340 0.002 0.000 0.288 1216 L C -0.813 175.763 176.870 -0.490 0.000 1.046 1216 L CA -0.616 54.033 54.840 -0.318 0.000 0.805 1216 L CB 0.495 42.405 42.059 -0.248 0.000 1.193 1216 L HN 0.473 nan 8.230 nan 0.000 0.426 1217 Y N 0.022 120.300 120.300 -0.037 0.000 2.376 1217 Y HA 0.205 4.757 4.550 0.002 0.000 0.340 1217 Y C 1.244 177.125 175.900 -0.032 0.000 0.965 1217 Y CA -0.758 57.334 58.100 -0.013 0.000 1.078 1217 Y CB 2.115 40.567 38.460 -0.013 0.000 1.193 1217 Y HN 0.634 nan 8.280 nan 0.000 0.452 1218 T N -2.907 111.685 114.554 0.063 0.000 3.129 1218 T HA 0.075 4.426 4.350 0.002 0.000 0.251 1218 T C -0.242 174.406 174.700 -0.088 0.000 1.117 1218 T CA 0.182 62.231 62.100 -0.084 0.000 1.034 1218 T CB -0.548 68.131 68.868 -0.315 0.000 0.968 1218 T HN 0.594 nan 8.240 nan 0.000 0.526 1219 D N -0.602 119.795 120.400 -0.003 0.000 2.619 1219 D HA 0.462 5.103 4.640 0.002 0.000 0.241 1219 D C 1.014 177.318 176.300 0.008 0.000 1.087 1219 D CA -1.168 52.821 54.000 -0.017 0.000 0.851 1219 D CB 1.482 42.264 40.800 -0.029 0.000 1.474 1219 D HN -0.371 nan 8.370 nan 0.000 0.478 1220 R N 0.936 121.433 120.500 -0.006 0.000 2.097 1220 R HA -0.052 4.289 4.340 0.002 0.000 0.236 1220 R C 0.258 176.556 176.300 -0.004 0.000 1.135 1220 R CA 0.822 56.921 56.100 -0.002 0.000 0.934 1220 R CB -1.016 29.281 30.300 -0.006 0.000 0.846 1220 R HN 0.618 nan 8.270 nan 0.000 0.431 1221 S N 1.720 117.417 115.700 -0.004 0.000 3.298 1221 S HA -0.118 4.353 4.470 0.002 0.000 0.389 1221 S C 1.177 175.768 174.600 -0.014 0.000 1.186 1221 S CA 0.159 58.357 58.200 -0.002 0.000 1.034 1221 S CB 0.220 63.423 63.200 0.004 0.000 0.735 1221 S HN 0.154 nan 8.310 nan 0.000 0.510 1222 R N 2.051 122.548 120.500 -0.004 0.000 2.328 1222 R HA -0.009 4.332 4.340 0.002 0.000 0.200 1222 R C 0.434 176.751 176.300 0.029 0.000 0.983 1222 R CA 0.442 56.540 56.100 -0.002 0.000 1.062 1222 R CB -1.013 29.291 30.300 0.007 0.000 0.956 1222 R HN 0.806 nan 8.270 nan 0.000 0.479 1223 D N -1.678 118.741 120.400 0.032 0.000 4.703 1223 D HA -0.286 4.355 4.640 0.002 0.000 0.135 1223 D C 0.396 176.780 176.300 0.139 0.000 0.688 1223 D CA 1.540 55.569 54.000 0.048 0.000 1.130 1223 D CB -1.100 39.701 40.800 0.001 0.000 0.647 1223 D HN 0.126 nan 8.370 nan 0.000 0.576 1224 F N 0.000 119.934 119.950 -0.027 0.000 2.286 1224 F HA 0.000 4.528 4.527 0.002 0.000 0.279 1224 F CA 0.000 57.988 58.000 -0.021 0.000 1.383 1224 F CB 0.000 38.989 39.000 -0.019 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574