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 3i4m_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKRTYEX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGRRGT ALGIKKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGEQ DATA SEQUENCE KKAMSSRAGV SQVLNRYTYS STLSHLRRTN TPIGRDGKLA KPRQLHNTHW DATA SEQUENCE GLVCPAETPE GQACGLVKNL SLMSCISVGT DPMPIITFLS EWGMEPLEDY DATA SEQUENCE VPHQSPDATR VFVNGVWHGV HRNPARLMET LRTLRRKGDI NPEVSMIRDI DATA SEQUENCE REKELKIFTD AGRVYRPLFI VEDDESLGHK ELKVRKGHIA KLMATEYQDX DATA SEQUENCE XXXXXXXXEY TWSSLLNEGL VEYIDAEEEE SILIAMQPED LEPAEAXXXX DATA SEQUENCE XXDVDPAKRI RVSHHATTFT HCEIHPSMIL GVAASIIPFP DHNQSPRNTY DATA SEQUENCE QSAMGKQAMG VFLTNYNVRM DTMANILYYP QKPLGTTRAM EYLKFRELPA DATA SEQUENCE GQNAIVAIAC YSGYNQEDSM IMNQSSIDRG LFRSLFFRSY MDQEKKYGMS DATA SEQUENCE ITETFEKPQR TNTLRMKHGT YDKLDDDGLI APGVRVSGED VIIGKTTPIS DATA SEQUENCE XXXXXXXXXX XXXSKRDAST PLRSTENGIV DQVLVTTNQD GLKFVKVRVR DATA SEQUENCE TTKIPQIGDK FASRHGQKGT IGITYRREDM PFTAEGIVPD LIINPHAIPS DATA SEQUENCE RMTVAHLIEC LLSKVAALSG NEGDASPFTD ITVEGISKLL REHGYQSRGF DATA SEQUENCE EVMYNGHTGK KLMAQIFFGP TYYQRLRHMV DDKIHARARG PMQVLTRQPV DATA SEQUENCE EGRSRDGGLR FGEMERDCMI AHGAASFLKE RLMEASDAFR VHICGICGLM DATA SEQUENCE TVIAKLNHNQ FECKGCDNKI DIYQIHIPYA AKLLFQELMA MNITPRLYTD DATA SEQUENCE RSRDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.278 176.300 -0.036 0.000 2.045 20 D CA 0.000 53.984 54.000 -0.026 0.000 0.868 20 D CB 0.000 40.791 40.800 -0.016 0.000 0.688 21 E N -0.087 120.082 120.200 -0.053 0.000 2.453 21 E HA -0.027 4.323 4.350 0.001 0.000 0.207 21 E C -0.194 176.345 176.600 -0.102 0.000 1.212 21 E CA 0.257 56.609 56.400 -0.080 0.000 0.959 21 E CB -0.117 29.522 29.700 -0.102 0.000 0.957 21 E HN 0.060 nan 8.360 nan 0.000 0.540 22 S N -0.269 115.391 115.700 -0.066 0.000 2.607 22 S HA 0.424 4.894 4.470 0.001 0.000 0.196 22 S C -0.524 174.060 174.600 -0.027 0.000 0.911 22 S CA -0.237 57.928 58.200 -0.057 0.000 1.133 22 S CB 0.936 64.098 63.200 -0.063 0.000 1.612 22 S HN 0.506 nan 8.310 nan 0.000 0.437 23 A N 2.713 125.522 122.820 -0.018 0.000 2.298 23 A HA 0.950 5.271 4.320 0.001 0.000 0.302 23 A C -2.202 175.379 177.584 -0.006 0.000 1.177 23 A CA -1.675 50.357 52.037 -0.008 0.000 0.912 23 A CB 0.081 19.079 19.000 -0.004 0.000 1.331 23 A HN 0.318 nan 8.150 nan 0.000 0.504 24 P HA 0.273 nan 4.420 nan 0.000 0.310 24 P C -0.712 176.579 177.300 -0.015 0.000 1.309 24 P CA 0.271 63.365 63.100 -0.010 0.000 0.753 24 P CB 0.390 32.092 31.700 0.002 0.000 1.491 25 I N -0.868 119.689 120.570 -0.023 0.000 2.563 25 I HA 0.137 4.307 4.170 0.001 0.000 0.281 25 I C 0.450 176.566 176.117 -0.002 0.000 1.110 25 I CA -0.640 60.645 61.300 -0.024 0.000 1.073 25 I CB 1.563 39.512 38.000 -0.084 0.000 1.215 25 I HN 0.229 nan 8.210 nan 0.000 0.460 26 T N 1.651 116.216 114.554 0.017 0.000 2.856 26 T HA 0.348 4.698 4.350 0.001 0.000 0.306 26 T C 1.429 176.153 174.700 0.041 0.000 1.062 26 T CA 0.109 62.228 62.100 0.032 0.000 1.083 26 T CB 1.733 70.626 68.868 0.042 0.000 0.984 26 T HN 0.605 nan 8.240 nan 0.000 0.542 27 A N 1.163 124.013 122.820 0.051 0.000 1.859 27 A HA -0.198 4.122 4.320 0.001 0.000 0.218 27 A C 2.229 179.814 177.584 0.002 0.000 1.209 27 A CA 2.322 54.387 52.037 0.047 0.000 0.639 27 A CB -1.560 17.492 19.000 0.086 0.000 0.835 27 A HN 1.073 nan 8.150 nan 0.000 0.450 28 E N 0.440 120.677 120.200 0.061 0.000 2.271 28 E HA -0.273 4.077 4.350 0.001 0.000 0.209 28 E C 1.463 178.138 176.600 0.125 0.000 1.046 28 E CA 2.079 58.555 56.400 0.125 0.000 0.840 28 E CB -0.426 29.369 29.700 0.157 0.000 0.738 28 E HN 0.646 nan 8.360 nan 0.000 0.470 29 D N -0.594 119.856 120.400 0.082 0.000 2.078 29 D HA -0.164 4.476 4.640 0.001 0.000 0.193 29 D C 2.007 178.371 176.300 0.106 0.000 0.990 29 D CA 2.095 56.154 54.000 0.099 0.000 0.827 29 D CB -0.569 40.268 40.800 0.060 0.000 0.975 29 D HN 0.369 nan 8.370 nan 0.000 0.451 30 S N 0.462 116.188 115.700 0.044 0.000 2.422 30 S HA -0.280 4.191 4.470 0.001 0.000 0.241 30 S C 1.952 176.599 174.600 0.077 0.000 1.076 30 S CA 1.433 59.682 58.200 0.082 0.000 1.066 30 S CB -1.459 61.742 63.200 0.002 0.000 0.890 30 S HN 0.472 nan 8.310 nan 0.000 0.465 31 W N 2.050 123.425 121.300 0.125 0.000 2.302 31 W HA -0.182 4.478 4.660 0.000 0.000 0.320 31 W C 3.087 179.736 176.519 0.216 0.000 1.241 31 W CA 0.787 58.217 57.345 0.142 0.000 1.264 31 W CB -0.658 28.872 29.460 0.117 0.000 1.154 31 W HN 0.454 nan 8.180 nan 0.000 0.483 32 A N 0.035 123.113 122.820 0.430 0.000 1.927 32 A HA -0.254 4.066 4.320 0.001 0.000 0.220 32 A C 1.895 179.672 177.584 0.321 0.000 1.185 32 A CA 2.509 54.742 52.037 0.327 0.000 0.639 32 A CB -1.224 17.919 19.000 0.240 0.000 0.820 32 A HN 0.155 nan 8.150 nan 0.000 0.451 33 V N 0.231 120.330 119.914 0.309 0.000 2.237 33 V HA -0.286 3.834 4.120 0.001 0.000 0.245 33 V C 2.417 178.728 176.094 0.362 0.000 1.046 33 V CA 2.057 64.566 62.300 0.348 0.000 1.007 33 V CB -0.798 31.270 31.823 0.408 0.000 0.638 33 V HN 0.592 nan 8.190 nan 0.000 0.445 34 I N 0.117 120.859 120.570 0.288 0.000 2.248 34 I HA -0.267 3.903 4.170 0.001 0.000 0.248 34 I C 2.647 178.942 176.117 0.297 0.000 1.107 34 I CA 1.579 62.950 61.300 0.118 0.000 1.373 34 I CB -0.505 37.556 38.000 0.102 0.000 1.055 34 I HN 0.282 nan 8.210 nan 0.000 0.418 35 S N 0.783 116.828 115.700 0.575 0.000 2.359 35 S HA -0.273 4.198 4.470 0.001 0.000 0.222 35 S C 2.320 177.153 174.600 0.388 0.000 1.038 35 S CA 1.658 60.254 58.200 0.659 0.000 1.051 35 S CB -0.506 62.938 63.200 0.407 0.000 0.944 35 S HN 0.580 nan 8.310 nan 0.000 0.433 36 A N 1.137 124.140 122.820 0.306 0.000 1.903 36 A HA -0.207 4.113 4.320 0.001 0.000 0.219 36 A C 1.840 179.513 177.584 0.147 0.000 1.191 36 A CA 2.048 54.243 52.037 0.262 0.000 0.638 36 A CB -1.116 18.087 19.000 0.339 0.000 0.823 36 A HN 0.477 nan 8.150 nan 0.000 0.451 37 F N -0.254 119.551 119.950 -0.241 0.000 2.008 37 F HA -0.268 4.259 4.527 0.001 0.000 0.297 37 F C 2.097 177.566 175.800 -0.553 0.000 1.156 37 F CA 2.315 59.743 58.000 -0.953 0.000 1.191 37 F CB -0.936 37.299 39.000 -1.276 0.000 0.955 37 F HN 0.257 nan 8.300 nan 0.000 0.497 38 F N 0.237 120.141 119.950 -0.077 0.000 2.202 38 F HA -0.205 4.322 4.527 0.000 0.000 0.301 38 F C 2.525 178.278 175.800 -0.077 0.000 1.082 38 F CA 1.298 59.248 58.000 -0.082 0.000 1.313 38 F CB -0.626 38.487 39.000 0.189 0.000 1.024 38 F HN -0.066 nan 8.300 nan 0.000 0.495 39 R N 0.184 120.782 120.500 0.163 0.000 2.113 39 R HA -0.252 4.088 4.340 0.001 0.000 0.244 39 R C 2.073 178.395 176.300 0.036 0.000 1.142 39 R CA 2.153 58.314 56.100 0.102 0.000 0.953 39 R CB -0.525 29.844 30.300 0.115 0.000 0.860 39 R HN 0.459 nan 8.270 nan 0.000 0.438 40 E N 0.305 120.486 120.200 -0.032 0.000 2.034 40 E HA -0.076 4.275 4.350 0.001 0.000 0.192 40 E C 1.474 177.989 176.600 -0.141 0.000 0.963 40 E CA 0.034 56.405 56.400 -0.049 0.000 0.831 40 E CB 0.224 29.930 29.700 0.011 0.000 0.801 40 E HN -0.025 nan 8.360 nan 0.000 0.463 41 K N 0.196 120.364 120.400 -0.388 0.000 1.987 41 K HA -0.111 4.209 4.320 0.001 0.000 0.232 41 K C 0.824 177.322 176.600 -0.171 0.000 1.003 41 K CA 1.693 57.717 56.287 -0.439 0.000 1.066 41 K CB -1.084 30.743 32.500 -1.121 0.000 0.718 41 K HN 0.463 nan 8.250 nan 0.000 0.477 42 G N -1.166 107.606 108.800 -0.047 0.000 2.535 42 G HA2 -0.074 3.887 3.960 0.001 0.000 0.662 42 G HA3 -0.074 3.887 3.960 0.001 0.000 0.662 42 G C 0.091 175.060 174.900 0.115 0.000 1.417 42 G CA -0.461 44.677 45.100 0.064 0.000 0.866 42 G HN 0.188 nan 8.290 nan 0.000 0.647 43 L N 0.399 121.652 121.223 0.050 0.000 2.642 43 L HA 0.003 4.343 4.340 0.001 0.000 0.236 43 L C 1.884 178.757 176.870 0.005 0.000 1.169 43 L CA 1.249 56.092 54.840 0.005 0.000 0.851 43 L CB -0.138 41.854 42.059 -0.112 0.000 0.968 43 L HN 0.557 nan 8.230 nan 0.000 0.453 44 V N -4.938 114.975 119.914 -0.000 0.000 3.330 44 V HA 0.068 4.188 4.120 0.001 0.000 0.309 44 V C 1.889 177.975 176.094 -0.013 0.000 1.481 44 V CA 0.462 62.752 62.300 -0.016 0.000 1.068 44 V CB 0.089 31.893 31.823 -0.032 0.000 0.935 44 V HN 0.389 nan 8.190 nan 0.000 0.453 45 S N 2.973 118.667 115.700 -0.010 0.000 2.433 45 S HA -0.500 3.971 4.470 0.001 0.000 0.276 45 S C 1.900 176.490 174.600 -0.017 0.000 1.122 45 S CA 2.768 60.950 58.200 -0.030 0.000 1.277 45 S CB -1.093 62.066 63.200 -0.069 0.000 1.198 45 S HN 0.838 nan 8.310 nan 0.000 0.440 46 Q N 1.149 120.934 119.800 -0.026 0.000 1.914 46 Q HA -0.284 4.056 4.340 0.001 0.000 0.222 46 Q C 2.253 178.261 176.000 0.013 0.000 1.031 46 Q CA 1.715 57.506 55.803 -0.020 0.000 0.886 46 Q CB -0.833 27.881 28.738 -0.039 0.000 0.982 46 Q HN 0.464 nan 8.270 nan 0.000 0.417 47 Q N 0.582 120.388 119.800 0.010 0.000 2.182 47 Q HA -0.207 4.133 4.340 0.001 0.000 0.213 47 Q C 2.218 178.252 176.000 0.057 0.000 1.000 47 Q CA 1.936 57.758 55.803 0.032 0.000 0.889 47 Q CB -0.531 28.210 28.738 0.006 0.000 0.932 47 Q HN 0.508 nan 8.270 nan 0.000 0.415 48 L N 0.548 121.788 121.223 0.029 0.000 1.913 48 L HA -0.214 4.126 4.340 0.001 0.000 0.217 48 L C 2.082 179.023 176.870 0.117 0.000 1.086 48 L CA 1.320 56.188 54.840 0.047 0.000 0.772 48 L CB -0.967 41.099 42.059 0.012 0.000 0.887 48 L HN 0.125 nan 8.230 nan 0.000 0.432 49 D N -0.040 120.406 120.400 0.077 0.000 2.347 49 D HA -0.309 4.331 4.640 0.001 0.000 0.189 49 D C 2.202 178.558 176.300 0.095 0.000 1.020 49 D CA 2.159 56.204 54.000 0.074 0.000 0.875 49 D CB -0.503 40.328 40.800 0.052 0.000 0.928 49 D HN 0.295 nan 8.370 nan 0.000 0.454 50 S N -1.000 114.764 115.700 0.107 0.000 2.440 50 S HA -0.185 4.285 4.470 0.001 0.000 0.240 50 S C 1.572 176.301 174.600 0.215 0.000 1.014 50 S CA 0.726 59.002 58.200 0.127 0.000 0.980 50 S CB -0.284 62.984 63.200 0.113 0.000 0.775 50 S HN 0.273 nan 8.310 nan 0.000 0.499 51 F N 2.716 122.721 119.950 0.092 0.000 2.188 51 F HA 0.136 4.664 4.527 0.000 0.000 0.289 51 F C 2.004 177.910 175.800 0.178 0.000 1.082 51 F CA 1.257 59.344 58.000 0.146 0.000 1.282 51 F CB -0.693 38.362 39.000 0.092 0.000 1.060 51 F HN 0.196 nan 8.300 nan 0.000 0.493 52 N N 0.652 119.404 118.700 0.086 0.000 2.018 52 N HA -0.295 4.445 4.740 0.001 0.000 0.196 52 N C 1.815 177.283 175.510 -0.071 0.000 1.043 52 N CA 1.746 54.776 53.050 -0.034 0.000 0.856 52 N CB -1.109 37.409 38.487 0.050 0.000 1.042 52 N HN 0.347 nan 8.380 nan 0.000 0.423 53 Q N 0.813 120.577 119.800 -0.061 0.000 2.242 53 Q HA -0.168 4.172 4.340 0.001 0.000 0.211 53 Q C 1.782 177.723 176.000 -0.099 0.000 0.992 53 Q CA 1.318 57.011 55.803 -0.183 0.000 0.889 53 Q CB -0.650 27.985 28.738 -0.172 0.000 0.913 53 Q HN 0.470 nan 8.270 nan 0.000 0.422 54 F N -1.055 118.793 119.950 -0.170 0.000 2.234 54 F HA -0.058 4.470 4.527 0.001 0.000 0.299 54 F C 1.322 176.997 175.800 -0.209 0.000 1.087 54 F CA 1.260 59.160 58.000 -0.168 0.000 1.340 54 F CB 0.012 38.891 39.000 -0.201 0.000 1.031 54 F HN 0.025 nan 8.300 nan 0.000 0.500 55 V N 0.206 119.872 119.914 -0.415 0.000 2.398 55 V HA -0.137 3.984 4.120 0.001 0.000 0.236 55 V C 2.036 177.986 176.094 -0.240 0.000 1.054 55 V CA 1.390 63.414 62.300 -0.460 0.000 1.060 55 V CB -0.955 30.648 31.823 -0.368 0.000 0.707 55 V HN 0.092 nan 8.190 nan 0.000 0.480 56 D N -0.419 119.945 120.400 -0.060 0.000 2.218 56 D HA -0.227 4.413 4.640 0.001 0.000 0.194 56 D C 1.665 178.017 176.300 0.088 0.000 1.007 56 D CA 2.326 56.370 54.000 0.074 0.000 0.879 56 D CB -0.113 40.872 40.800 0.309 0.000 0.918 56 D HN 0.567 nan 8.370 nan 0.000 0.449 57 Y N -0.202 119.987 120.300 -0.184 0.000 3.052 57 Y HA 0.095 4.645 4.550 0.001 0.000 0.176 57 Y C 2.655 178.429 175.900 -0.211 0.000 0.916 57 Y CA 0.160 58.167 58.100 -0.154 0.000 1.720 57 Y CB -0.971 37.433 38.460 -0.093 0.000 1.299 57 Y HN -0.231 nan 8.280 nan 0.000 0.428 58 T N 2.148 116.694 114.554 -0.014 0.000 2.693 58 T HA -0.300 4.050 4.350 0.001 0.000 0.263 58 T C 1.894 176.418 174.700 -0.294 0.000 1.046 58 T CA 2.294 64.303 62.100 -0.150 0.000 1.160 58 T CB -0.852 67.912 68.868 -0.173 0.000 0.853 58 T HN 0.150 nan 8.240 nan 0.000 0.462 59 L N 0.716 121.589 121.223 -0.583 0.000 2.127 59 L HA -0.101 4.240 4.340 0.001 0.000 0.211 59 L C 2.500 179.253 176.870 -0.196 0.000 1.089 59 L CA 1.789 56.304 54.840 -0.543 0.000 0.757 59 L CB -0.712 40.907 42.059 -0.732 0.000 0.899 59 L HN 0.211 nan 8.230 nan 0.000 0.434 60 Q N -0.416 119.271 119.800 -0.188 0.000 1.994 60 Q HA -0.177 4.163 4.340 0.001 0.000 0.198 60 Q C 1.790 177.746 176.000 -0.075 0.000 0.976 60 Q CA 2.071 57.794 55.803 -0.132 0.000 0.828 60 Q CB -0.222 28.433 28.738 -0.139 0.000 0.894 60 Q HN 0.524 nan 8.270 nan 0.000 0.432 61 D N -0.085 120.283 120.400 -0.053 0.000 2.149 61 D HA -0.196 4.444 4.640 0.001 0.000 0.194 61 D C 1.599 177.901 176.300 0.003 0.000 1.001 61 D CA 1.657 55.648 54.000 -0.015 0.000 0.849 61 D CB -0.170 40.632 40.800 0.003 0.000 0.939 61 D HN 0.365 nan 8.370 nan 0.000 0.449 62 I N -0.216 120.359 120.570 0.009 0.000 2.614 62 I HA -0.143 4.028 4.170 0.001 0.000 0.258 62 I C 1.799 177.917 176.117 0.002 0.000 1.189 62 I CA 0.305 61.623 61.300 0.030 0.000 1.462 62 I CB 0.021 38.078 38.000 0.095 0.000 1.092 62 I HN 0.002 nan 8.210 nan 0.000 0.442 63 I N -0.062 120.453 120.570 -0.091 0.000 2.876 63 I HA -0.036 4.134 4.170 0.001 0.000 0.264 63 I C 0.532 176.708 176.117 0.098 0.000 1.204 63 I CA 0.631 61.797 61.300 -0.223 0.000 1.485 63 I CB 0.026 37.836 38.000 -0.317 0.000 1.103 63 I HN 0.167 nan 8.210 nan 0.000 0.446 64 C N 1.284 120.629 119.300 0.076 0.000 2.369 64 C HA 0.663 5.123 4.460 0.001 0.000 0.322 64 C C 0.714 175.741 174.990 0.063 0.000 1.258 64 C CA -0.237 58.839 59.018 0.096 0.000 1.487 64 C CB 0.604 28.379 27.740 0.058 0.000 2.165 64 C HN 0.675 nan 8.230 nan 0.000 0.483 65 E N 1.348 121.582 120.200 0.057 0.000 2.054 65 E HA -0.101 4.250 4.350 0.001 0.000 0.275 65 E C -0.510 176.088 176.600 -0.005 0.000 1.062 65 E CA 0.189 56.597 56.400 0.012 0.000 2.018 65 E CB -0.730 28.966 29.700 -0.007 0.000 3.073 65 E HN 0.563 nan 8.360 nan 0.000 1.082 66 D N 2.302 122.684 120.400 -0.030 0.000 2.593 66 D HA 0.145 4.786 4.640 0.001 0.000 0.241 66 D C 1.176 177.438 176.300 -0.062 0.000 1.257 66 D CA 0.602 54.563 54.000 -0.064 0.000 0.828 66 D CB 0.846 41.579 40.800 -0.113 0.000 1.049 66 D HN 0.236 nan 8.370 nan 0.000 0.490 67 S N 0.723 116.449 115.700 0.043 0.000 2.365 67 S HA -0.152 4.318 4.470 0.001 0.000 0.221 67 S C 1.261 176.070 174.600 0.348 0.000 1.037 67 S CA 0.909 59.236 58.200 0.211 0.000 1.060 67 S CB -1.299 62.157 63.200 0.427 0.000 0.974 67 S HN 0.286 nan 8.310 nan 0.000 0.427 68 T N 2.112 116.779 114.554 0.188 0.000 2.724 68 T HA 0.419 4.770 4.350 0.001 0.000 0.324 68 T C 0.745 175.422 174.700 -0.038 0.000 1.071 68 T CA 0.143 62.256 62.100 0.021 0.000 1.061 68 T CB 0.428 69.270 68.868 -0.044 0.000 0.990 68 T HN 0.294 nan 8.240 nan 0.000 0.543 69 L N -0.616 120.548 121.223 -0.099 0.000 3.047 69 L HA 0.692 5.032 4.340 0.001 0.000 0.218 69 L C -0.404 176.429 176.870 -0.062 0.000 1.497 69 L CA -0.648 54.204 54.840 0.019 0.000 2.474 69 L CB 0.581 42.886 42.059 0.410 0.000 2.343 69 L HN 0.514 nan 8.230 nan 0.000 0.831 91 S N 4.119 119.643 115.700 -0.293 0.000 2.747 91 S HA 0.868 5.338 4.470 0.001 0.000 0.300 91 S C -0.971 173.302 174.600 -0.545 0.000 1.121 91 S CA -0.642 57.354 58.200 -0.341 0.000 0.995 91 S CB 1.805 64.976 63.200 -0.048 0.000 1.113 91 S HN 0.307 nan 8.310 nan 0.000 0.547 92 F N -0.441 119.561 119.950 0.087 0.000 2.540 92 F HA 0.751 5.278 4.527 0.001 0.000 0.317 92 F C 0.855 176.696 175.800 0.067 0.000 1.104 92 F CA -0.612 57.445 58.000 0.095 0.000 0.913 92 F CB 1.972 41.057 39.000 0.142 0.000 1.170 92 F HN 0.956 nan 8.300 nan 0.000 0.450 93 G N 1.146 110.078 108.800 0.220 0.000 3.099 93 G HA2 0.316 4.276 3.960 0.001 0.000 0.151 93 G HA3 0.316 4.276 3.960 0.001 0.000 0.151 93 G C -0.743 174.194 174.900 0.062 0.000 1.265 93 G CA -0.845 44.327 45.100 0.119 0.000 0.981 93 G HN 0.564 nan 8.290 nan 0.000 0.601 94 K N -0.459 119.934 120.400 -0.012 0.000 2.455 94 K HA 0.200 4.520 4.320 0.001 0.000 0.269 94 K C -0.639 175.835 176.600 -0.209 0.000 0.972 94 K CA 0.183 56.375 56.287 -0.158 0.000 0.938 94 K CB 0.276 32.621 32.500 -0.259 0.000 0.931 94 K HN 0.353 nan 8.250 nan 0.000 0.507 95 I N 2.260 122.611 120.570 -0.365 0.000 2.647 95 I HA 0.340 4.510 4.170 0.001 0.000 0.295 95 I C -1.702 174.152 176.117 -0.438 0.000 1.078 95 I CA -0.973 60.168 61.300 -0.264 0.000 1.048 95 I CB 1.154 39.063 38.000 -0.151 0.000 1.239 95 I HN 0.597 nan 8.210 nan 0.000 0.421 96 Y N 5.131 125.429 120.300 -0.003 0.000 2.485 96 Y HA 0.709 5.259 4.550 0.001 0.000 0.345 96 Y C -0.547 175.211 175.900 -0.236 0.000 0.998 96 Y CA -1.034 57.024 58.100 -0.070 0.000 1.059 96 Y CB 2.062 40.543 38.460 0.035 0.000 1.234 96 Y HN 0.180 nan 8.280 nan 0.000 0.461 97 V N 2.138 121.976 119.914 -0.126 0.000 2.532 97 V HA 0.314 4.434 4.120 0.001 0.000 0.294 97 V C -0.228 175.719 176.094 -0.246 0.000 1.036 97 V CA -0.965 61.176 62.300 -0.264 0.000 0.876 97 V CB 1.699 33.396 31.823 -0.210 0.000 1.012 97 V HN 0.955 nan 8.190 nan 0.000 0.432 98 T N 2.278 116.624 114.554 -0.346 0.000 2.788 98 T HA 0.473 4.823 4.350 0.001 0.000 0.287 98 T C 0.082 174.666 174.700 -0.194 0.000 1.007 98 T CA -0.599 61.362 62.100 -0.231 0.000 1.005 98 T CB 1.022 69.767 68.868 -0.206 0.000 1.012 98 T HN 0.504 nan 8.240 nan 0.000 0.530 99 K N 1.368 121.652 120.400 -0.194 0.000 2.138 99 K HA 0.304 4.624 4.320 0.001 0.000 0.251 99 K C -2.422 174.105 176.600 -0.121 0.000 1.015 99 K CA -1.744 54.394 56.287 -0.248 0.000 0.917 99 K CB -0.123 32.051 32.500 -0.544 0.000 1.021 99 K HN 0.411 nan 8.250 nan 0.000 0.485 100 P HA -0.189 nan 4.420 nan 0.000 0.267 100 P C -0.789 176.463 177.300 -0.079 0.000 1.158 100 P CA 1.307 64.310 63.100 -0.162 0.000 0.756 100 P CB 0.378 31.891 31.700 -0.311 0.000 0.766 101 M N 1.365 120.913 119.600 -0.086 0.000 2.658 101 M HA 0.388 4.868 4.480 0.001 0.000 0.295 101 M C -0.502 175.777 176.300 -0.033 0.000 1.248 101 M CA -0.959 54.317 55.300 -0.041 0.000 0.843 101 M CB 2.460 35.057 32.600 -0.004 0.000 1.749 101 M HN -0.152 nan 8.290 nan 0.000 0.464 102 V N 1.797 121.716 119.914 0.008 0.000 2.572 102 V HA 0.194 4.314 4.120 0.001 0.000 0.274 102 V C -0.760 175.371 176.094 0.061 0.000 1.075 102 V CA -0.646 61.681 62.300 0.046 0.000 1.237 102 V CB -0.252 31.633 31.823 0.103 0.000 1.517 102 V HN 0.780 nan 8.190 nan 0.000 0.616 103 N N 3.925 122.647 118.700 0.036 0.000 2.427 103 N HA 0.251 4.991 4.740 0.001 0.000 0.269 103 N C 0.020 175.551 175.510 0.035 0.000 1.235 103 N CA 0.274 53.339 53.050 0.025 0.000 0.934 103 N CB 0.319 38.806 38.487 -0.001 0.000 1.121 103 N HN 0.842 nan 8.380 nan 0.000 0.480 104 E N -0.257 119.966 120.200 0.039 0.000 2.343 104 E HA 0.412 4.763 4.350 0.001 0.000 0.278 104 E C -1.049 175.571 176.600 0.033 0.000 0.910 104 E CA -1.125 55.298 56.400 0.039 0.000 0.757 104 E CB 0.911 30.642 29.700 0.051 0.000 1.218 104 E HN 0.346 nan 8.360 nan 0.000 0.435 105 S N 2.234 117.951 115.700 0.029 0.000 2.568 105 S HA 0.073 4.543 4.470 0.001 0.000 0.282 105 S C 0.295 174.912 174.600 0.029 0.000 1.338 105 S CA 0.451 58.667 58.200 0.026 0.000 1.045 105 S CB 0.284 63.498 63.200 0.024 0.000 0.873 105 S HN 0.808 nan 8.310 nan 0.000 0.516 106 D N -0.219 120.196 120.400 0.025 0.000 2.911 106 D HA -0.113 4.527 4.640 0.001 0.000 0.199 106 D C 0.260 176.576 176.300 0.026 0.000 1.041 106 D CA 1.840 55.855 54.000 0.025 0.000 1.013 106 D CB -1.445 39.373 40.800 0.030 0.000 1.093 106 D HN 1.036 nan 8.370 nan 0.000 0.431 107 G N -0.891 107.927 108.800 0.028 0.000 2.706 107 G HA2 0.523 4.484 3.960 0.001 0.000 0.297 107 G HA3 0.523 4.484 3.960 0.001 0.000 0.297 107 G C 0.719 175.637 174.900 0.030 0.000 1.403 107 G CA -0.153 44.966 45.100 0.032 0.000 0.954 107 G HN 0.000 nan 8.290 nan 0.000 0.500 108 V N 0.692 120.624 119.914 0.029 0.000 2.270 108 V HA 0.214 4.334 4.120 0.001 0.000 0.218 108 V C 1.171 177.286 176.094 0.035 0.000 0.997 108 V CA 1.466 63.781 62.300 0.026 0.000 1.019 108 V CB -0.607 31.233 31.823 0.027 0.000 0.657 108 V HN 0.790 nan 8.190 nan 0.000 0.470 109 T N -0.464 114.126 114.554 0.059 0.000 3.767 109 T HA 0.357 4.707 4.350 0.001 0.000 0.360 109 T C -1.470 173.317 174.700 0.145 0.000 1.181 109 T CA -0.448 61.698 62.100 0.077 0.000 1.110 109 T CB 1.167 70.058 68.868 0.037 0.000 1.201 109 T HN 0.608 nan 8.240 nan 0.000 0.474 110 H N 2.029 121.124 119.070 0.041 0.000 2.472 110 H HA 0.760 5.316 4.556 0.001 0.000 0.338 110 H C -0.134 175.232 175.328 0.064 0.000 1.133 110 H CA -0.708 55.376 56.048 0.059 0.000 1.216 110 H CB 1.246 31.047 29.762 0.065 0.000 1.497 110 H HN 0.809 nan 8.280 nan 0.000 0.500 111 A N 5.670 128.477 122.820 -0.022 0.000 2.475 111 A HA 0.270 4.591 4.320 0.001 0.000 0.293 111 A C -0.211 176.982 177.584 -0.651 0.000 1.252 111 A CA -0.419 51.507 52.037 -0.185 0.000 0.920 111 A CB -1.085 17.961 19.000 0.078 0.000 1.125 111 A HN 0.638 nan 8.150 nan 0.000 0.528 112 L N 3.173 124.100 121.223 -0.492 0.000 2.467 112 L HA 0.415 4.755 4.340 0.001 0.000 0.270 112 L C -0.656 175.909 176.870 -0.508 0.000 1.205 112 L CA 0.577 55.182 54.840 -0.390 0.000 0.828 112 L CB -0.006 41.955 42.059 -0.164 0.000 1.101 112 L HN 0.594 nan 8.230 nan 0.000 0.479 113 Y N 3.812 124.002 120.300 -0.185 0.000 2.545 113 Y HA 0.416 4.966 4.550 0.000 0.000 0.348 113 Y C -1.700 174.229 175.900 0.048 0.000 1.002 113 Y CA -1.432 56.615 58.100 -0.088 0.000 1.039 113 Y CB 1.369 39.722 38.460 -0.178 0.000 1.271 113 Y HN 0.522 nan 8.280 nan 0.000 0.467 114 P HA -0.280 nan 4.420 nan 0.000 0.208 114 P C 1.262 178.558 177.300 -0.007 0.000 1.189 114 P CA 1.904 64.877 63.100 -0.210 0.000 0.931 114 P CB 0.361 31.818 31.700 -0.404 0.000 0.783 115 Q N 0.516 120.326 119.800 0.017 0.000 2.274 115 Q HA -0.262 4.078 4.340 0.001 0.000 0.217 115 Q C 2.216 178.252 176.000 0.060 0.000 1.008 115 Q CA 2.505 58.329 55.803 0.036 0.000 0.925 115 Q CB -1.102 27.651 28.738 0.025 0.000 0.957 115 Q HN 0.482 nan 8.270 nan 0.000 0.416 116 E N -1.579 118.674 120.200 0.089 0.000 2.008 116 E HA -0.095 4.256 4.350 0.001 0.000 0.191 116 E C 1.836 178.509 176.600 0.121 0.000 0.986 116 E CA 0.831 57.295 56.400 0.107 0.000 0.807 116 E CB -0.375 29.404 29.700 0.132 0.000 0.766 116 E HN 0.414 nan 8.360 nan 0.000 0.450 117 A N 1.595 124.493 122.820 0.130 0.000 2.054 117 A HA -0.266 4.054 4.320 0.001 0.000 0.223 117 A C 2.132 179.787 177.584 0.119 0.000 1.169 117 A CA 1.686 53.803 52.037 0.133 0.000 0.655 117 A CB -0.631 18.470 19.000 0.169 0.000 0.812 117 A HN 0.220 nan 8.150 nan 0.000 0.462 118 R N -0.827 119.732 120.500 0.099 0.000 2.057 118 R HA -0.006 4.334 4.340 0.001 0.000 0.229 118 R C 2.153 178.526 176.300 0.122 0.000 1.136 118 R CA 1.455 57.610 56.100 0.090 0.000 0.952 118 R CB -0.551 29.786 30.300 0.062 0.000 0.848 118 R HN 0.566 nan 8.270 nan 0.000 0.430 119 L N 0.253 121.549 121.223 0.122 0.000 2.005 119 L HA -0.109 4.231 4.340 0.001 0.000 0.207 119 L C 2.299 179.327 176.870 0.262 0.000 1.072 119 L CA 1.327 56.249 54.840 0.138 0.000 0.744 119 L CB -0.436 41.679 42.059 0.094 0.000 0.895 119 L HN 0.111 nan 8.230 nan 0.000 0.433 120 R N 0.583 121.241 120.500 0.264 0.000 2.323 120 R HA 0.020 4.360 4.340 0.001 0.000 0.198 120 R C -0.178 176.269 176.300 0.245 0.000 0.988 120 R CA 0.033 56.350 56.100 0.362 0.000 1.041 120 R CB -0.519 29.917 30.300 0.226 0.000 0.926 120 R HN 0.482 nan 8.270 nan 0.000 0.476 121 N N 1.103 119.927 118.700 0.207 0.000 2.667 121 N HA -0.190 4.550 4.740 0.001 0.000 0.263 121 N C -0.966 174.533 175.510 -0.019 0.000 1.038 121 N CA -0.039 53.043 53.050 0.054 0.000 0.749 121 N CB -0.757 37.683 38.487 -0.078 0.000 0.892 121 N HN 0.180 nan 8.380 nan 0.000 0.546 122 L N -0.574 120.678 121.223 0.048 0.000 2.271 122 L HA 0.551 4.892 4.340 0.001 0.000 0.265 122 L C 0.696 177.615 176.870 0.082 0.000 1.013 122 L CA -0.802 54.067 54.840 0.049 0.000 0.820 122 L CB 1.528 43.632 42.059 0.076 0.000 1.352 122 L HN -0.066 nan 8.230 nan 0.000 0.443 123 T N -0.141 114.465 114.554 0.087 0.000 3.262 123 T HA 0.144 4.495 4.350 0.001 0.000 0.374 123 T C -0.328 174.463 174.700 0.153 0.000 1.504 123 T CA -0.231 61.939 62.100 0.118 0.000 1.158 123 T CB -0.636 68.285 68.868 0.088 0.000 1.157 123 T HN 0.308 nan 8.240 nan 0.000 0.644 124 Y N 4.485 124.810 120.300 0.043 0.000 2.686 124 Y HA 0.019 4.570 4.550 0.001 0.000 0.391 124 Y C 0.869 176.788 175.900 0.032 0.000 1.401 124 Y CA 0.180 58.292 58.100 0.019 0.000 1.937 124 Y CB -0.835 37.623 38.460 -0.003 0.000 1.459 124 Y HN 0.622 nan 8.280 nan 0.000 0.418 125 S N 1.731 117.358 115.700 -0.122 0.000 2.900 125 S HA 0.944 5.415 4.470 0.001 0.000 0.320 125 S C -0.357 174.153 174.600 -0.149 0.000 1.130 125 S CA -0.273 57.870 58.200 -0.096 0.000 0.863 125 S CB 1.671 64.887 63.200 0.027 0.000 1.295 125 S HN 0.756 nan 8.310 nan 0.000 0.596 126 S N -1.061 114.600 115.700 -0.065 0.000 2.588 126 S HA 0.754 5.224 4.470 0.001 0.000 0.269 126 S C -0.045 174.559 174.600 0.006 0.000 1.157 126 S CA -0.586 57.576 58.200 -0.063 0.000 0.824 126 S CB 0.626 63.749 63.200 -0.127 0.000 1.126 126 S HN 1.489 nan 8.310 nan 0.000 0.464 127 G N -0.116 108.708 108.800 0.040 0.000 2.539 127 G HA2 0.577 4.537 3.960 0.001 0.000 0.258 127 G HA3 0.577 4.537 3.960 0.001 0.000 0.258 127 G C -1.384 173.461 174.900 -0.091 0.000 1.202 127 G CA -0.623 44.617 45.100 0.234 0.000 0.851 127 G HN 0.585 nan 8.290 nan 0.000 0.556 128 L N 0.532 121.755 121.223 0.000 0.000 2.349 128 L HA 0.466 4.806 4.340 0.001 0.000 0.278 128 L C -0.534 176.467 176.870 0.218 0.000 0.996 128 L CA -0.247 54.530 54.840 -0.105 0.000 0.825 128 L CB 1.461 43.434 42.059 -0.142 0.000 1.243 128 L HN 0.442 nan 8.230 nan 0.000 0.412 129 F N 2.688 122.731 119.950 0.155 0.000 2.469 129 F HA 0.787 5.314 4.527 0.001 0.000 0.332 129 F C -0.093 175.839 175.800 0.221 0.000 1.103 129 F CA -1.382 56.748 58.000 0.216 0.000 0.979 129 F CB 2.102 41.254 39.000 0.253 0.000 1.137 129 F HN 0.010 nan 8.300 nan 0.000 0.463 130 V N 2.192 122.337 119.914 0.384 0.000 2.567 130 V HA 0.110 4.231 4.120 0.001 0.000 0.298 130 V C -0.778 175.495 176.094 0.298 0.000 1.047 130 V CA -1.152 61.319 62.300 0.285 0.000 0.880 130 V CB 1.744 33.670 31.823 0.171 0.000 1.009 130 V HN 0.643 nan 8.190 nan 0.000 0.429 131 D N 3.940 124.523 120.400 0.305 0.000 2.451 131 D HA 0.131 4.771 4.640 0.001 0.000 0.254 131 D C -0.004 176.413 176.300 0.195 0.000 1.204 131 D CA 0.429 54.573 54.000 0.240 0.000 0.896 131 D CB 1.694 42.636 40.800 0.237 0.000 1.136 131 D HN 0.253 nan 8.370 nan 0.000 0.499 132 V N 2.857 122.858 119.914 0.146 0.000 2.532 132 V HA 0.211 4.332 4.120 0.001 0.000 0.295 132 V C 0.453 176.553 176.094 0.009 0.000 1.041 132 V CA -0.792 61.546 62.300 0.063 0.000 0.926 132 V CB 1.806 33.664 31.823 0.059 0.000 0.992 132 V HN 0.274 nan 8.190 nan 0.000 0.457 133 K N 2.880 123.245 120.400 -0.058 0.000 2.211 133 K HA 0.418 4.739 4.320 0.001 0.000 0.275 133 K C 0.469 177.068 176.600 -0.002 0.000 1.024 133 K CA -0.320 55.959 56.287 -0.013 0.000 0.887 133 K CB 1.284 33.788 32.500 0.006 0.000 1.084 133 K HN 0.582 nan 8.250 nan 0.000 0.463 134 K N 2.172 122.587 120.400 0.024 0.000 1.993 134 K HA 0.132 4.453 4.320 0.001 0.000 0.222 134 K C -0.531 176.117 176.600 0.080 0.000 1.021 134 K CA 0.479 56.788 56.287 0.036 0.000 1.023 134 K CB -0.049 32.465 32.500 0.022 0.000 0.799 134 K HN 0.500 nan 8.250 nan 0.000 0.444 135 R N -0.004 120.516 120.500 0.033 0.000 1.168 135 R HA -0.114 4.227 4.340 0.001 0.000 0.418 135 R C -1.118 175.164 176.300 -0.029 0.000 1.353 135 R CA 0.532 56.604 56.100 -0.046 0.000 1.272 135 R CB -2.304 27.976 30.300 -0.033 0.000 3.598 135 R HN 0.500 nan 8.270 nan 0.000 0.493 136 T N 4.613 119.071 114.554 -0.160 0.000 3.016 136 T HA 0.418 4.768 4.350 0.001 0.000 0.335 136 T C -0.469 174.156 174.700 -0.124 0.000 1.176 136 T CA -0.292 61.764 62.100 -0.074 0.000 0.987 136 T CB -0.112 68.720 68.868 -0.061 0.000 1.073 136 T HN 0.223 nan 8.240 nan 0.000 0.547 137 Y N 2.205 122.496 120.300 -0.015 0.000 2.454 137 Y HA 0.308 4.859 4.550 0.001 0.000 0.345 137 Y C 1.166 177.054 175.900 -0.020 0.000 0.970 137 Y CA -1.189 56.904 58.100 -0.011 0.000 1.204 137 Y CB 0.204 38.663 38.460 -0.002 0.000 1.122 137 Y HN 0.526 nan 8.280 nan 0.000 0.514 165 V N 1.521 121.502 119.914 0.111 0.000 2.837 165 V HA 0.573 4.693 4.120 0.001 0.000 0.310 165 V C -0.099 176.106 176.094 0.185 0.000 1.059 165 V CA -0.890 61.480 62.300 0.117 0.000 1.004 165 V CB 1.227 33.135 31.823 0.142 0.000 1.045 165 V HN 0.327 nan 8.190 nan 0.000 0.465 166 F N 3.816 123.789 119.950 0.038 0.000 2.443 166 F HA 0.820 5.347 4.527 0.001 0.000 0.335 166 F C -0.825 175.089 175.800 0.190 0.000 1.104 166 F CA -0.815 57.289 58.000 0.173 0.000 1.013 166 F CB 1.109 40.143 39.000 0.057 0.000 1.136 166 F HN 0.260 nan 8.300 nan 0.000 0.470 167 I N 5.462 125.523 120.570 -0.849 0.000 2.512 167 I HA 0.630 4.800 4.170 0.001 0.000 0.287 167 I C 0.464 176.089 176.117 -0.821 0.000 1.069 167 I CA -0.641 60.217 61.300 -0.737 0.000 1.056 167 I CB 1.043 38.905 38.000 -0.230 0.000 1.229 167 I HN 0.983 nan 8.210 nan 0.000 0.429 168 G N 5.312 113.721 108.800 -0.650 0.000 2.561 168 G HA2 -0.232 3.729 3.960 0.001 0.000 0.528 168 G HA3 -0.232 3.729 3.960 0.001 0.000 0.528 168 G C -0.137 174.717 174.900 -0.076 0.000 1.334 168 G CA -0.221 44.740 45.100 -0.232 0.000 0.911 168 G HN 0.709 nan 8.290 nan 0.000 0.538 169 R N -1.286 119.237 120.500 0.038 0.000 2.575 169 R HA 0.492 4.833 4.340 0.001 0.000 0.293 169 R C -0.833 175.484 176.300 0.029 0.000 0.983 169 R CA -0.995 55.146 56.100 0.069 0.000 0.887 169 R CB 1.835 32.206 30.300 0.118 0.000 1.184 169 R HN 0.568 nan 8.270 nan 0.000 0.445 170 L N 4.602 125.831 121.223 0.011 0.000 2.287 170 L HA 0.419 4.759 4.340 0.001 0.000 0.280 170 L C -2.418 174.527 176.870 0.125 0.000 1.055 170 L CA -2.331 52.535 54.840 0.044 0.000 0.863 170 L CB 0.608 42.670 42.059 0.004 0.000 1.245 170 L HN 0.417 nan 8.230 nan 0.000 0.432 171 P HA 0.025 nan 4.420 nan 0.000 0.256 171 P C -0.147 177.354 177.300 0.335 0.000 1.189 171 P CA 0.446 63.684 63.100 0.230 0.000 0.808 171 P CB 0.107 31.965 31.700 0.263 0.000 0.793 172 I N 3.769 124.418 120.570 0.132 0.000 2.638 172 I HA 0.173 4.344 4.170 0.001 0.000 0.286 172 I C 1.472 177.204 176.117 -0.642 0.000 1.088 172 I CA -0.522 60.767 61.300 -0.017 0.000 1.397 172 I CB 0.366 38.361 38.000 -0.009 0.000 1.414 172 I HN 0.293 nan 8.210 nan 0.000 0.566 173 M N 4.930 123.573 119.600 -1.596 0.000 2.242 173 M HA 0.292 4.772 4.480 0.001 0.000 0.344 173 M C -0.765 175.028 176.300 -0.846 0.000 1.140 173 M CA -0.406 53.743 55.300 -1.920 0.000 1.160 173 M CB 0.767 32.087 32.600 -2.134 0.000 1.491 173 M HN 0.346 nan 8.290 nan 0.000 0.459 174 L N 3.541 124.287 121.223 -0.794 0.000 2.475 174 L HA 0.306 4.646 4.340 0.001 0.000 0.253 174 L C 0.968 177.587 176.870 -0.418 0.000 1.198 174 L CA 0.520 55.005 54.840 -0.590 0.000 0.814 174 L CB 0.263 41.787 42.059 -0.893 0.000 1.134 174 L HN 0.894 nan 8.230 nan 0.000 0.478 175 R N -0.701 119.642 120.500 -0.261 0.000 3.722 175 R HA -0.198 4.143 4.340 0.001 0.000 0.284 175 R C -0.524 175.717 176.300 -0.099 0.000 1.165 175 R CA 0.896 56.909 56.100 -0.146 0.000 0.779 175 R CB -1.589 28.619 30.300 -0.154 0.000 1.179 175 R HN 0.819 nan 8.270 nan 0.000 0.491 176 S N -2.446 113.203 115.700 -0.084 0.000 2.739 176 S HA 0.482 4.952 4.470 0.001 0.000 0.306 176 S C 1.042 175.665 174.600 0.038 0.000 1.115 176 S CA -0.708 57.492 58.200 -0.001 0.000 0.985 176 S CB 1.898 65.122 63.200 0.039 0.000 1.133 176 S HN 0.173 nan 8.310 nan 0.000 0.541 177 K N 0.955 121.396 120.400 0.068 0.000 2.049 177 K HA -0.256 4.065 4.320 0.001 0.000 0.219 177 K C 1.602 178.198 176.600 -0.008 0.000 1.056 177 K CA 2.317 58.623 56.287 0.032 0.000 0.946 177 K CB -0.621 31.901 32.500 0.036 0.000 0.723 177 K HN 0.702 nan 8.250 nan 0.000 0.453 178 N N -0.079 118.632 118.700 0.018 0.000 2.571 178 N HA -0.073 4.667 4.740 0.001 0.000 0.189 178 N C -0.498 174.945 175.510 -0.113 0.000 1.154 178 N CA 0.107 53.122 53.050 -0.058 0.000 0.907 178 N CB 0.122 38.607 38.487 -0.004 0.000 0.977 178 N HN 0.174 nan 8.380 nan 0.000 0.449 179 C N 0.271 119.555 119.300 -0.026 0.000 2.319 179 C HA 0.288 4.748 4.460 0.001 0.000 0.335 179 C C 1.444 176.459 174.990 0.041 0.000 1.274 179 C CA -0.880 58.190 59.018 0.087 0.000 1.806 179 C CB -0.820 27.009 27.740 0.148 0.000 2.329 179 C HN 0.483 nan 8.230 nan 0.000 0.524 180 Y N 3.310 123.614 120.300 0.006 0.000 2.193 180 Y HA -0.138 4.412 4.550 0.000 0.000 0.285 180 Y C 2.075 178.012 175.900 0.061 0.000 1.166 180 Y CA 1.670 59.776 58.100 0.011 0.000 1.181 180 Y CB -0.760 37.673 38.460 -0.046 0.000 0.976 180 Y HN 0.643 nan 8.280 nan 0.000 0.520 181 L N -0.100 121.264 121.223 0.236 0.000 2.187 181 L HA -0.253 4.087 4.340 0.001 0.000 0.213 181 L C 2.599 179.517 176.870 0.080 0.000 1.100 181 L CA 1.462 56.384 54.840 0.136 0.000 0.765 181 L CB -0.904 41.194 42.059 0.066 0.000 0.904 181 L HN 0.357 nan 8.230 nan 0.000 0.437 182 S N -0.160 115.573 115.700 0.055 0.000 2.380 182 S HA -0.286 4.184 4.470 0.001 0.000 0.229 182 S C 1.715 176.337 174.600 0.036 0.000 1.043 182 S CA 1.776 59.993 58.200 0.028 0.000 1.038 182 S CB -0.369 62.838 63.200 0.012 0.000 0.872 182 S HN 0.551 nan 8.310 nan 0.000 0.456 183 E N 2.146 122.374 120.200 0.048 0.000 2.024 183 E HA 0.385 4.735 4.350 0.001 0.000 0.190 183 E C 1.299 177.939 176.600 0.065 0.000 0.974 183 E CA 0.376 56.806 56.400 0.050 0.000 0.810 183 E CB -0.516 29.214 29.700 0.050 0.000 0.775 183 E HN 0.679 nan 8.360 nan 0.000 0.453 184 A N 1.287 124.163 122.820 0.093 0.000 2.655 184 A HA 0.022 4.342 4.320 0.001 0.000 0.226 184 A C 0.454 178.088 177.584 0.083 0.000 1.081 184 A CA 1.385 53.484 52.037 0.103 0.000 0.802 184 A CB -0.350 18.733 19.000 0.138 0.000 0.973 184 A HN 0.329 nan 8.150 nan 0.000 0.501 185 T N -1.664 112.939 114.554 0.082 0.000 2.932 185 T HA 0.561 4.911 4.350 0.001 0.000 0.318 185 T C 0.164 174.912 174.700 0.080 0.000 1.265 185 T CA 0.264 62.407 62.100 0.072 0.000 1.036 185 T CB 1.441 70.337 68.868 0.046 0.000 1.209 185 T HN 1.018 nan 8.240 nan 0.000 0.484 186 E N 1.641 121.899 120.200 0.096 0.000 3.606 186 E HA -0.388 3.962 4.350 0.001 0.000 0.492 186 E C 1.927 178.580 176.600 0.088 0.000 1.681 186 E CA 3.492 59.940 56.400 0.079 0.000 1.181 186 E CB -1.482 28.192 29.700 -0.043 0.000 1.121 186 E HN 1.137 nan 8.360 nan 0.000 0.380 187 S N 0.694 116.378 115.700 -0.027 0.000 2.435 187 S HA -0.380 4.091 4.470 0.001 0.000 0.250 187 S C 1.636 176.289 174.600 0.088 0.000 1.065 187 S CA 2.322 60.519 58.200 -0.006 0.000 1.243 187 S CB -1.362 61.828 63.200 -0.016 0.000 1.158 187 S HN 0.498 nan 8.310 nan 0.000 0.430 188 D N 2.260 122.708 120.400 0.080 0.000 2.192 188 D HA -0.180 4.460 4.640 0.001 0.000 0.189 188 D C 2.107 178.478 176.300 0.119 0.000 1.007 188 D CA 1.873 55.929 54.000 0.094 0.000 0.859 188 D CB -0.608 40.253 40.800 0.102 0.000 0.936 188 D HN 0.438 nan 8.370 nan 0.000 0.447 189 L N -0.295 121.024 121.223 0.159 0.000 1.932 189 L HA -0.237 4.104 4.340 0.001 0.000 0.217 189 L C 2.707 179.680 176.870 0.172 0.000 1.077 189 L CA 1.385 56.323 54.840 0.163 0.000 0.765 189 L CB -0.990 41.188 42.059 0.198 0.000 0.888 189 L HN -0.001 nan 8.230 nan 0.000 0.433 190 Y N 0.717 121.031 120.300 0.024 0.000 2.172 190 Y HA -0.350 4.200 4.550 0.000 0.000 0.280 190 Y C 2.620 178.518 175.900 -0.005 0.000 1.209 190 Y CA 1.713 59.818 58.100 0.009 0.000 1.171 190 Y CB -0.626 37.837 38.460 0.005 0.000 0.965 190 Y HN 0.175 nan 8.280 nan 0.000 0.520 191 K N -0.318 120.175 120.400 0.155 0.000 2.057 191 K HA -0.102 4.218 4.320 0.001 0.000 0.206 191 K C 1.767 178.373 176.600 0.010 0.000 1.050 191 K CA 1.357 57.681 56.287 0.063 0.000 0.935 191 K CB -0.430 32.093 32.500 0.037 0.000 0.715 191 K HN 0.270 nan 8.250 nan 0.000 0.439 192 L N 0.899 122.126 121.223 0.007 0.000 2.622 192 L HA -0.042 4.298 4.340 0.001 0.000 0.233 192 L C 0.676 177.532 176.870 -0.024 0.000 1.156 192 L CA 0.706 55.521 54.840 -0.041 0.000 0.866 192 L CB -0.291 41.766 42.059 -0.004 0.000 0.980 192 L HN 0.232 nan 8.230 nan 0.000 0.448 193 K N -2.101 118.291 120.400 -0.014 0.000 3.483 193 K HA -0.208 4.112 4.320 0.001 0.000 0.288 193 K C 0.385 176.955 176.600 -0.050 0.000 0.894 193 K CA 1.229 57.493 56.287 -0.037 0.000 1.245 193 K CB -0.876 31.606 32.500 -0.029 0.000 1.368 193 K HN 0.164 nan 8.250 nan 0.000 0.477 194 E N 1.893 122.084 120.200 -0.015 0.000 2.606 194 E HA -0.061 4.289 4.350 0.001 0.000 0.248 194 E C -0.005 176.573 176.600 -0.037 0.000 1.005 194 E CA 0.344 56.743 56.400 -0.001 0.000 0.946 194 E CB 0.397 30.115 29.700 0.030 0.000 0.928 194 E HN 0.295 nan 8.360 nan 0.000 0.494 195 C N 8.234 127.504 119.300 -0.049 0.000 2.642 195 C HA 0.077 4.537 4.460 0.001 0.000 0.420 195 C C -0.505 174.499 174.990 0.025 0.000 1.349 195 C CA -1.498 57.459 59.018 -0.102 0.000 1.821 195 C CB 0.058 27.761 27.740 -0.062 0.000 2.637 195 C HN 0.631 nan 8.230 nan 0.000 0.605 196 P HA -0.154 nan 4.420 nan 0.000 0.211 196 P C 1.435 178.889 177.300 0.257 0.000 1.179 196 P CA 1.853 65.082 63.100 0.215 0.000 0.910 196 P CB -0.266 31.668 31.700 0.391 0.000 0.785 197 F N 0.478 120.437 119.950 0.014 0.000 2.304 197 F HA -0.151 4.376 4.527 0.000 0.000 0.301 197 F C 1.165 177.083 175.800 0.197 0.000 1.052 197 F CA 0.648 58.666 58.000 0.030 0.000 1.389 197 F CB -1.808 37.108 39.000 -0.140 0.000 1.081 197 F HN 0.029 nan 8.300 nan 0.000 0.538 198 D N 0.294 120.889 120.400 0.325 0.000 2.443 198 D HA -0.038 4.602 4.640 0.001 0.000 0.239 198 D C 1.175 177.581 176.300 0.176 0.000 1.136 198 D CA 0.186 54.349 54.000 0.272 0.000 0.879 198 D CB 0.537 41.458 40.800 0.202 0.000 1.195 198 D HN 0.042 nan 8.370 nan 0.000 0.443 199 M N 2.013 121.697 119.600 0.139 0.000 2.346 199 M HA 0.311 4.791 4.480 0.001 0.000 0.280 199 M C 0.891 177.182 176.300 -0.016 0.000 1.075 199 M CA 0.171 55.501 55.300 0.049 0.000 0.989 199 M CB -0.747 31.866 32.600 0.020 0.000 1.447 199 M HN 0.414 nan 8.290 nan 0.000 0.511 200 G N 1.951 110.732 108.800 -0.032 0.000 2.574 200 G HA2 -0.074 3.887 3.960 0.001 0.000 0.295 200 G HA3 -0.074 3.887 3.960 0.001 0.000 0.295 200 G C 0.758 175.518 174.900 -0.234 0.000 1.300 200 G CA 1.161 46.036 45.100 -0.374 0.000 0.944 200 G HN 1.791 nan 8.290 nan 0.000 0.551 201 G N -3.207 105.373 108.800 -0.367 0.000 2.132 201 G HA2 0.239 4.199 3.960 0.001 0.000 0.234 201 G HA3 0.239 4.199 3.960 0.001 0.000 0.234 201 G C 0.182 175.025 174.900 -0.096 0.000 0.989 201 G CA 1.534 46.518 45.100 -0.194 0.000 0.676 201 G HN 2.430 nan 8.290 nan 0.000 0.522 202 Y N -2.001 118.185 120.300 -0.189 0.000 2.638 202 Y HA 0.866 5.416 4.550 0.001 0.000 0.339 202 Y C -0.542 175.283 175.900 -0.125 0.000 1.084 202 Y CA -3.135 54.935 58.100 -0.049 0.000 1.068 202 Y CB 0.753 39.161 38.460 -0.087 0.000 1.294 202 Y HN 0.001 nan 8.280 nan 0.000 0.480 203 F N 0.964 120.977 119.950 0.106 0.000 2.541 203 F HA 0.684 5.211 4.527 0.001 0.000 0.331 203 F C -0.362 175.531 175.800 0.154 0.000 1.057 203 F CA -1.731 56.295 58.000 0.043 0.000 0.975 203 F CB 1.671 40.672 39.000 0.001 0.000 1.246 203 F HN 0.360 nan 8.300 nan 0.000 0.484 204 I N 3.530 124.272 120.570 0.288 0.000 2.495 204 I HA 0.296 4.467 4.170 0.001 0.000 0.277 204 I C -1.264 174.969 176.117 0.193 0.000 1.045 204 I CA -0.306 61.115 61.300 0.202 0.000 1.135 204 I CB 0.749 38.825 38.000 0.126 0.000 1.241 204 I HN 0.245 nan 8.210 nan 0.000 0.469 205 I N 5.627 126.286 120.570 0.148 0.000 2.412 205 I HA 0.331 4.501 4.170 0.001 0.000 0.296 205 I C 1.089 177.243 176.117 0.062 0.000 0.987 205 I CA -0.269 61.096 61.300 0.108 0.000 1.180 205 I CB 0.908 38.958 38.000 0.082 0.000 1.340 205 I HN 0.416 nan 8.210 nan 0.000 0.455 206 N N 4.453 123.182 118.700 0.048 0.000 2.628 206 N HA -0.266 4.474 4.740 0.001 0.000 0.247 206 N C 0.837 176.354 175.510 0.011 0.000 1.157 206 N CA 1.444 54.502 53.050 0.013 0.000 0.729 206 N CB -0.507 37.974 38.487 -0.009 0.000 1.083 206 N HN 1.111 nan 8.380 nan 0.000 0.554 207 G N -2.167 106.660 108.800 0.045 0.000 3.532 207 G HA2 -0.181 3.779 3.960 0.001 0.000 0.196 207 G HA3 -0.181 3.779 3.960 0.001 0.000 0.196 207 G C -0.152 174.782 174.900 0.057 0.000 2.074 207 G CA 0.311 45.447 45.100 0.060 0.000 1.323 207 G HN 0.878 nan 8.290 nan 0.000 0.439 208 S N 1.210 116.930 115.700 0.033 0.000 2.603 208 S HA 0.561 5.031 4.470 0.001 0.000 0.268 208 S C -0.129 174.472 174.600 0.002 0.000 1.317 208 S CA -0.055 58.146 58.200 0.002 0.000 1.012 208 S CB 1.468 64.656 63.200 -0.020 0.000 0.926 208 S HN 0.549 nan 8.310 nan 0.000 0.539 209 E N 1.538 121.695 120.200 -0.071 0.000 2.003 209 E HA 0.167 4.517 4.350 0.001 0.000 0.279 209 E C -0.421 176.126 176.600 -0.089 0.000 1.132 209 E CA -0.405 55.928 56.400 -0.111 0.000 0.888 209 E CB 0.343 29.771 29.700 -0.453 0.000 1.056 209 E HN 0.300 nan 8.360 nan 0.000 0.399 210 K N 2.135 122.558 120.400 0.039 0.000 2.205 210 K HA 0.306 4.626 4.320 0.001 0.000 0.279 210 K C -0.466 176.159 176.600 0.042 0.000 1.027 210 K CA -0.688 55.610 56.287 0.018 0.000 0.932 210 K CB 1.856 34.374 32.500 0.031 0.000 1.032 210 K HN 0.207 nan 8.250 nan 0.000 0.466 211 V N 5.067 124.944 119.914 -0.062 0.000 2.326 211 V HA 0.214 4.334 4.120 0.001 0.000 0.281 211 V C 0.360 176.383 176.094 -0.118 0.000 1.015 211 V CA -0.809 61.428 62.300 -0.106 0.000 0.823 211 V CB 0.978 32.562 31.823 -0.398 0.000 1.009 211 V HN 0.602 nan 8.190 nan 0.000 0.436 212 L N 5.708 126.869 121.223 -0.104 0.000 2.615 212 L HA 0.118 4.458 4.340 0.001 0.000 0.271 212 L C 0.104 176.886 176.870 -0.148 0.000 1.183 212 L CA 0.221 54.954 54.840 -0.178 0.000 0.933 212 L CB 0.206 42.155 42.059 -0.183 0.000 1.199 212 L HN 0.438 nan 8.230 nan 0.000 0.487 213 I N 3.905 124.371 120.570 -0.173 0.000 2.365 213 I HA 0.201 4.371 4.170 0.001 0.000 0.291 213 I C 0.690 176.727 176.117 -0.133 0.000 1.004 213 I CA -0.537 60.694 61.300 -0.116 0.000 1.311 213 I CB 1.420 39.383 38.000 -0.062 0.000 1.401 213 I HN 0.596 nan 8.210 nan 0.000 0.491 214 A N 8.233 131.003 122.820 -0.083 0.000 2.561 214 A HA 0.086 4.406 4.320 0.001 0.000 0.251 214 A C 0.129 177.667 177.584 -0.076 0.000 1.062 214 A CA -0.071 51.923 52.037 -0.070 0.000 0.761 214 A CB -0.268 18.710 19.000 -0.036 0.000 0.986 214 A HN 0.626 nan 8.150 nan 0.000 0.510 215 Q N 1.855 121.601 119.800 -0.090 0.000 2.340 215 Q HA 0.255 4.595 4.340 0.001 0.000 0.259 215 Q C -0.126 175.852 176.000 -0.036 0.000 0.964 215 Q CA -0.105 55.649 55.803 -0.082 0.000 0.900 215 Q CB 1.641 30.302 28.738 -0.128 0.000 1.228 215 Q HN 0.891 nan 8.270 nan 0.000 0.449 216 E N 2.767 122.962 120.200 -0.009 0.000 2.313 216 E HA 0.458 4.808 4.350 0.001 0.000 0.272 216 E C -0.635 175.976 176.600 0.019 0.000 1.038 216 E CA -0.463 55.957 56.400 0.033 0.000 0.863 216 E CB 0.751 30.499 29.700 0.081 0.000 1.060 216 E HN 0.532 nan 8.360 nan 0.000 0.402 217 R N 0.815 121.332 120.500 0.028 0.000 2.728 217 R HA 0.327 4.668 4.340 0.001 0.000 0.274 217 R C -1.443 174.866 176.300 0.016 0.000 1.030 217 R CA -0.832 55.276 56.100 0.013 0.000 0.876 217 R CB 0.787 31.085 30.300 -0.003 0.000 1.259 217 R HN 0.266 nan 8.270 nan 0.000 0.468 218 S N 0.398 116.103 115.700 0.008 0.000 2.528 218 S HA 0.599 5.069 4.470 0.001 0.000 0.277 218 S C 0.258 174.842 174.600 -0.027 0.000 1.297 218 S CA 0.080 58.282 58.200 0.003 0.000 1.052 218 S CB 0.141 63.348 63.200 0.011 0.000 0.917 218 S HN 0.807 nan 8.310 nan 0.000 0.492 219 A N 4.091 126.876 122.820 -0.057 0.000 2.521 219 A HA 0.517 4.838 4.320 0.001 0.000 0.237 219 A C 0.912 178.435 177.584 -0.100 0.000 1.087 219 A CA 0.338 52.308 52.037 -0.112 0.000 0.777 219 A CB -0.474 18.411 19.000 -0.193 0.000 1.035 219 A HN 0.997 nan 8.150 nan 0.000 0.510 220 G N -1.082 107.644 108.800 -0.124 0.000 2.753 220 G HA2 0.440 4.400 3.960 0.001 0.000 0.285 220 G HA3 0.440 4.400 3.960 0.001 0.000 0.285 220 G C -0.155 174.648 174.900 -0.162 0.000 1.344 220 G CA -0.443 44.589 45.100 -0.113 0.000 1.050 220 G HN 0.926 nan 8.290 nan 0.000 0.532 221 N N -0.749 117.832 118.700 -0.198 0.000 2.689 221 N HA -0.163 4.577 4.740 0.001 0.000 0.263 221 N C -0.652 174.718 175.510 -0.233 0.000 0.987 221 N CA 1.066 53.911 53.050 -0.342 0.000 0.782 221 N CB -0.864 37.389 38.487 -0.389 0.000 0.903 221 N HN 0.459 nan 8.380 nan 0.000 0.547 222 I N -0.483 119.996 120.570 -0.152 0.000 2.656 222 I HA 0.222 4.393 4.170 0.001 0.000 0.292 222 I C 0.028 176.097 176.117 -0.080 0.000 1.144 222 I CA -1.020 60.220 61.300 -0.101 0.000 1.038 222 I CB 2.383 40.317 38.000 -0.110 0.000 1.244 222 I HN -0.298 nan 8.210 nan 0.000 0.420 223 V N 5.695 125.556 119.914 -0.088 0.000 2.432 223 V HA 0.327 4.448 4.120 0.001 0.000 0.271 223 V C -0.126 175.846 176.094 -0.204 0.000 1.046 223 V CA -0.132 62.083 62.300 -0.141 0.000 0.945 223 V CB 0.875 32.583 31.823 -0.192 0.000 0.992 223 V HN 0.704 nan 8.190 nan 0.000 0.471 224 Q N 2.933 122.560 119.800 -0.288 0.000 2.421 224 Q HA 0.752 5.092 4.340 0.001 0.000 0.280 224 Q C -1.364 174.211 176.000 -0.709 0.000 1.085 224 Q CA -0.905 54.617 55.803 -0.468 0.000 0.807 224 Q CB 3.144 31.594 28.738 -0.479 0.000 1.405 224 Q HN 0.669 nan 8.270 nan 0.000 0.419 225 V N -1.261 118.205 119.914 -0.746 0.000 2.487 225 V HA 0.723 4.843 4.120 0.001 0.000 0.298 225 V C -1.121 174.604 176.094 -0.616 0.000 1.028 225 V CA -0.709 61.231 62.300 -0.600 0.000 0.860 225 V CB 0.786 32.442 31.823 -0.278 0.000 0.991 225 V HN 0.635 nan 8.190 nan 0.000 0.427 226 F N 2.000 121.915 119.950 -0.057 0.000 2.518 226 F HA 0.593 5.120 4.527 0.000 0.000 0.323 226 F C 0.527 176.251 175.800 -0.128 0.000 1.129 226 F CA -0.982 56.968 58.000 -0.082 0.000 0.920 226 F CB 2.130 41.096 39.000 -0.057 0.000 1.160 226 F HN 0.397 nan 8.300 nan 0.000 0.440 227 K N 3.016 123.389 120.400 -0.046 0.000 2.355 227 K HA 0.240 4.560 4.320 0.001 0.000 0.270 227 K C -0.205 176.361 176.600 -0.056 0.000 1.003 227 K CA -0.581 55.559 56.287 -0.245 0.000 0.957 227 K CB 0.675 32.965 32.500 -0.350 0.000 0.939 227 K HN 0.365 nan 8.250 nan 0.000 0.482 228 K N 1.202 121.590 120.400 -0.020 0.000 2.123 228 K HA 0.315 4.635 4.320 0.001 0.000 0.259 228 K C -0.093 176.505 176.600 -0.005 0.000 0.960 228 K CA -0.528 55.762 56.287 0.005 0.000 0.872 228 K CB 1.780 34.291 32.500 0.018 0.000 1.079 228 K HN 0.770 nan 8.250 nan 0.000 0.440 229 A N 1.472 124.284 122.820 -0.013 0.000 2.599 229 A HA 0.097 4.417 4.320 0.001 0.000 0.240 229 A C 1.439 179.021 177.584 -0.004 0.000 1.109 229 A CA 1.111 53.139 52.037 -0.014 0.000 0.798 229 A CB -0.221 18.768 19.000 -0.018 0.000 1.050 229 A HN 0.824 nan 8.150 nan 0.000 0.518 230 A N 0.732 123.550 122.820 -0.003 0.000 1.902 230 A HA 0.036 4.357 4.320 0.001 0.000 0.217 230 A C -0.625 176.959 177.584 -0.001 0.000 1.181 230 A CA 1.650 53.688 52.037 0.002 0.000 0.623 230 A CB -1.386 17.614 19.000 0.000 0.000 0.818 230 A HN 0.734 nan 8.150 nan 0.000 0.443 231 P HA 0.247 nan 4.420 nan 0.000 0.231 231 P C -0.700 176.592 177.300 -0.014 0.000 1.811 231 P CA 0.485 63.580 63.100 -0.008 0.000 1.051 231 P CB 0.158 31.853 31.700 -0.009 0.000 1.951 232 S N 3.279 118.970 115.700 -0.015 0.000 2.649 232 S HA 0.401 4.871 4.470 0.001 0.000 0.274 232 S C -1.927 172.646 174.600 -0.045 0.000 1.176 232 S CA -1.262 56.919 58.200 -0.032 0.000 0.988 232 S CB 1.599 64.782 63.200 -0.028 0.000 1.071 232 S HN 0.032 nan 8.310 nan 0.000 0.478 233 P HA 0.028 nan 4.420 nan 0.000 0.220 233 P C 0.267 177.474 177.300 -0.155 0.000 1.148 233 P CA 0.555 63.606 63.100 -0.081 0.000 0.803 233 P CB -0.010 31.641 31.700 -0.081 0.000 0.782 234 I N -0.319 120.121 120.570 -0.217 0.000 2.532 234 I HA 0.102 4.272 4.170 0.001 0.000 0.292 234 I C 1.934 178.016 176.117 -0.058 0.000 1.014 234 I CA 0.128 61.290 61.300 -0.230 0.000 1.340 234 I CB 0.998 38.840 38.000 -0.264 0.000 1.422 234 I HN -0.169 nan 8.210 nan 0.000 0.528 235 S N 4.381 120.076 115.700 -0.009 0.000 2.310 235 S HA 0.214 4.685 4.470 0.001 0.000 0.205 235 S C 0.431 175.251 174.600 0.366 0.000 1.020 235 S CA 0.569 58.833 58.200 0.106 0.000 0.939 235 S CB -0.017 63.130 63.200 -0.089 0.000 0.919 235 S HN 0.649 nan 8.310 nan 0.000 0.501 236 H N -0.957 118.099 119.070 -0.023 0.000 2.834 236 H HA 0.707 5.263 4.556 0.001 0.000 0.369 236 H C -1.470 173.847 175.328 -0.019 0.000 1.174 236 H CA -1.303 54.735 56.048 -0.017 0.000 1.165 236 H CB 1.939 31.684 29.762 -0.027 0.000 1.820 236 H HN 0.148 nan 8.280 nan 0.000 0.558 237 V N 0.812 120.794 119.914 0.113 0.000 2.789 237 V HA 0.568 4.689 4.120 0.001 0.000 0.311 237 V C -0.685 175.378 176.094 -0.051 0.000 1.073 237 V CA -0.787 61.541 62.300 0.045 0.000 0.921 237 V CB 1.740 33.607 31.823 0.073 0.000 1.009 237 V HN 0.910 nan 8.190 nan 0.000 0.426 238 A N 3.667 126.446 122.820 -0.067 0.000 2.291 238 A HA 0.843 5.163 4.320 0.001 0.000 0.311 238 A C -0.456 177.063 177.584 -0.108 0.000 1.224 238 A CA -0.505 51.440 52.037 -0.153 0.000 0.821 238 A CB 0.743 19.662 19.000 -0.135 0.000 1.172 238 A HN 0.845 nan 8.150 nan 0.000 0.494 239 E N 0.905 121.014 120.200 -0.150 0.000 2.339 239 E HA 0.750 5.101 4.350 0.001 0.000 0.262 239 E C -1.342 175.216 176.600 -0.068 0.000 0.934 239 E CA -0.783 55.582 56.400 -0.058 0.000 0.802 239 E CB 2.846 32.565 29.700 0.032 0.000 1.275 239 E HN 0.610 nan 8.360 nan 0.000 0.427 240 I N 0.727 121.280 120.570 -0.028 0.000 2.702 240 I HA 0.242 4.412 4.170 0.001 0.000 0.287 240 I C -1.525 174.566 176.117 -0.042 0.000 1.342 240 I CA -0.439 60.841 61.300 -0.033 0.000 1.063 240 I CB 1.179 39.187 38.000 0.014 0.000 1.331 240 I HN 0.418 nan 8.210 nan 0.000 0.427 241 R N 4.893 125.361 120.500 -0.053 0.000 2.234 241 R HA 0.424 4.764 4.340 0.001 0.000 0.324 241 R C -0.344 175.896 176.300 -0.100 0.000 1.054 241 R CA -0.336 55.734 56.100 -0.050 0.000 0.912 241 R CB 1.205 31.487 30.300 -0.031 0.000 1.030 241 R HN 0.652 nan 8.270 nan 0.000 0.455 242 S N 1.167 116.823 115.700 -0.072 0.000 2.454 242 S HA 0.792 5.262 4.470 0.001 0.000 0.306 242 S C -0.558 174.044 174.600 0.004 0.000 1.100 242 S CA -0.908 57.243 58.200 -0.081 0.000 1.087 242 S CB 2.191 65.381 63.200 -0.016 0.000 1.019 242 S HN 0.673 nan 8.310 nan 0.000 0.480 243 A N 3.199 126.023 122.820 0.007 0.000 2.465 243 A HA 0.603 4.923 4.320 0.001 0.000 0.292 243 A C -0.722 176.887 177.584 0.043 0.000 1.041 243 A CA -0.841 51.225 52.037 0.048 0.000 0.718 243 A CB 0.767 19.786 19.000 0.032 0.000 1.266 243 A HN 0.848 nan 8.150 nan 0.000 0.403 244 L N 2.689 123.938 121.223 0.044 0.000 2.534 244 L HA 0.065 4.405 4.340 0.001 0.000 0.271 244 L C 1.709 178.585 176.870 0.010 0.000 1.178 244 L CA 0.074 54.919 54.840 0.007 0.000 0.907 244 L CB 0.342 42.367 42.059 -0.056 0.000 1.164 244 L HN 0.952 nan 8.230 nan 0.000 0.482 245 E N 2.666 122.876 120.200 0.016 0.000 2.097 245 E HA -0.176 4.174 4.350 0.001 0.000 0.196 245 E C -0.055 176.557 176.600 0.020 0.000 1.000 245 E CA 1.546 57.958 56.400 0.021 0.000 0.804 245 E CB 0.188 29.905 29.700 0.028 0.000 0.740 245 E HN 0.541 nan 8.360 nan 0.000 0.454 246 K N -1.796 118.607 120.400 0.005 0.000 2.512 246 K HA 0.494 4.814 4.320 0.001 0.000 0.263 246 K C -0.750 175.827 176.600 -0.038 0.000 0.966 246 K CA -0.172 56.114 56.287 -0.002 0.000 0.851 246 K CB 2.450 34.956 32.500 0.010 0.000 1.395 246 K HN 0.116 nan 8.250 nan 0.000 0.440 247 G N 0.998 109.769 108.800 -0.049 0.000 2.830 247 G HA2 -0.109 3.851 3.960 0.001 0.000 0.298 247 G HA3 -0.109 3.851 3.960 0.001 0.000 0.298 247 G C 0.251 175.051 174.900 -0.165 0.000 1.031 247 G CA 0.572 45.615 45.100 -0.096 0.000 1.179 247 G HN 0.848 nan 8.290 nan 0.000 0.527 248 S N 0.999 116.617 115.700 -0.136 0.000 1.703 248 S HA -0.361 4.109 4.470 0.001 0.000 0.232 248 S C 1.257 175.817 174.600 -0.066 0.000 0.865 248 S CA 2.364 60.472 58.200 -0.154 0.000 1.462 248 S CB -1.335 61.632 63.200 -0.389 0.000 1.879 248 S HN 2.463 nan 8.310 nan 0.000 0.532 249 R N 0.004 120.447 120.500 -0.095 0.000 3.076 249 R HA -0.099 4.241 4.340 0.001 0.000 0.261 249 R C -0.511 175.899 176.300 0.183 0.000 0.930 249 R CA 0.949 57.064 56.100 0.024 0.000 0.649 249 R CB -2.494 27.835 30.300 0.048 0.000 1.350 249 R HN 0.577 nan 8.270 nan 0.000 0.453 250 F N 2.199 122.159 119.950 0.016 0.000 2.506 250 F HA 0.164 4.691 4.527 0.001 0.000 0.371 250 F C 1.465 177.277 175.800 0.020 0.000 1.078 250 F CA -0.486 57.528 58.000 0.023 0.000 1.195 250 F CB 0.581 39.595 39.000 0.023 0.000 1.099 250 F HN 0.176 nan 8.300 nan 0.000 0.548 251 I N 4.416 125.097 120.570 0.186 0.000 2.503 251 I HA 0.127 4.297 4.170 0.001 0.000 0.277 251 I C -0.558 175.590 176.117 0.053 0.000 1.078 251 I CA -0.244 61.113 61.300 0.096 0.000 1.184 251 I CB 0.644 38.685 38.000 0.068 0.000 1.353 251 I HN 0.394 nan 8.210 nan 0.000 0.490 252 S N 2.339 118.067 115.700 0.047 0.000 2.502 252 S HA 0.580 5.051 4.470 0.001 0.000 0.304 252 S C -0.163 174.441 174.600 0.008 0.000 1.097 252 S CA -0.660 57.553 58.200 0.021 0.000 1.045 252 S CB 1.856 65.069 63.200 0.021 0.000 1.019 252 S HN 0.323 nan 8.310 nan 0.000 0.481 253 T N 3.255 117.811 114.554 0.003 0.000 2.909 253 T HA 0.467 4.817 4.350 0.001 0.000 0.289 253 T C -0.553 174.140 174.700 -0.012 0.000 1.005 253 T CA -0.430 61.668 62.100 -0.003 0.000 1.084 253 T CB 0.708 69.583 68.868 0.011 0.000 0.975 253 T HN 0.605 nan 8.240 nan 0.000 0.509 254 L N 3.361 124.569 121.223 -0.025 0.000 2.294 254 L HA 0.392 4.733 4.340 0.001 0.000 0.283 254 L C -0.323 176.540 176.870 -0.011 0.000 1.015 254 L CA -0.154 54.661 54.840 -0.041 0.000 0.831 254 L CB 1.077 43.078 42.059 -0.097 0.000 1.217 254 L HN 0.571 nan 8.230 nan 0.000 0.420 255 Q N 3.757 123.564 119.800 0.011 0.000 2.278 255 Q HA 0.520 4.860 4.340 0.001 0.000 0.257 255 Q C -1.136 174.893 176.000 0.049 0.000 0.928 255 Q CA -0.552 55.271 55.803 0.033 0.000 0.932 255 Q CB 2.255 31.023 28.738 0.050 0.000 1.221 255 Q HN 0.536 nan 8.270 nan 0.000 0.434 256 V N 4.570 124.511 119.914 0.045 0.000 2.315 256 V HA 0.160 4.281 4.120 0.001 0.000 0.265 256 V C 0.088 176.226 176.094 0.073 0.000 1.019 256 V CA -0.517 61.824 62.300 0.068 0.000 0.824 256 V CB 0.612 32.463 31.823 0.047 0.000 1.072 256 V HN 0.703 nan 8.190 nan 0.000 0.448 257 K N 2.230 122.698 120.400 0.112 0.000 2.797 257 K HA 0.431 4.751 4.320 0.001 0.000 0.307 257 K C -0.182 176.493 176.600 0.124 0.000 1.072 257 K CA -0.131 56.219 56.287 0.106 0.000 0.981 257 K CB 0.224 32.799 32.500 0.126 0.000 1.078 257 K HN 0.354 nan 8.250 nan 0.000 0.459 258 L N 0.039 121.343 121.223 0.134 0.000 2.378 258 L HA 0.201 4.541 4.340 0.001 0.000 0.256 258 L C -1.436 175.509 176.870 0.126 0.000 1.316 258 L CA -0.198 54.718 54.840 0.127 0.000 0.835 258 L CB -0.614 41.455 42.059 0.017 0.000 0.987 258 L HN 0.425 nan 8.230 nan 0.000 0.534 259 Y N 1.857 122.164 120.300 0.010 0.000 2.178 259 Y HA 0.391 4.941 4.550 0.001 0.000 0.364 259 Y C 1.677 177.573 175.900 -0.006 0.000 1.240 259 Y CA 1.258 59.365 58.100 0.011 0.000 1.609 259 Y CB -0.014 38.458 38.460 0.021 0.000 1.365 259 Y HN 0.872 nan 8.280 nan 0.000 0.737 260 G N 1.050 109.950 108.800 0.166 0.000 3.341 260 G HA2 -0.179 3.782 3.960 0.001 0.000 0.374 260 G HA3 -0.179 3.782 3.960 0.001 0.000 0.374 260 G C -0.470 174.444 174.900 0.024 0.000 0.885 260 G CA -0.370 44.777 45.100 0.077 0.000 0.740 260 G HN 0.648 nan 8.290 nan 0.000 0.390 261 R N 1.300 121.810 120.500 0.017 0.000 2.637 261 R HA 0.381 4.721 4.340 0.001 0.000 0.269 261 R C 1.193 177.493 176.300 -0.000 0.000 1.089 261 R CA -0.286 55.818 56.100 0.006 0.000 1.177 261 R CB 0.343 30.649 30.300 0.011 0.000 1.091 261 R HN 0.683 nan 8.270 nan 0.000 0.540 262 E N 1.154 121.355 120.200 0.001 0.000 2.244 262 E HA -0.040 4.311 4.350 0.001 0.000 0.243 262 E C -0.072 176.528 176.600 -0.000 0.000 1.250 262 E CA 0.925 57.323 56.400 -0.004 0.000 0.988 262 E CB -0.768 28.941 29.700 0.014 0.000 1.095 262 E HN 0.746 nan 8.360 nan 0.000 0.454 263 G N 2.542 111.340 108.800 -0.004 0.000 2.313 263 G HA2 -0.197 3.763 3.960 0.001 0.000 0.098 263 G HA3 -0.197 3.763 3.960 0.001 0.000 0.098 263 G C -0.177 174.724 174.900 0.002 0.000 1.736 263 G CA -0.178 44.922 45.100 0.001 0.000 1.073 263 G HN 0.658 nan 8.290 nan 0.000 0.293 264 S N 1.947 117.651 115.700 0.008 0.000 2.575 264 S HA 0.384 4.854 4.470 0.001 0.000 0.295 264 S C 1.611 176.217 174.600 0.010 0.000 1.267 264 S CA 0.989 59.196 58.200 0.012 0.000 1.074 264 S CB 1.094 64.306 63.200 0.020 0.000 0.829 264 S HN 1.902 nan 8.310 nan 0.000 0.497 265 S N 4.518 120.221 115.700 0.006 0.000 2.485 265 S HA 0.017 4.488 4.470 0.001 0.000 0.211 265 S C 1.719 176.324 174.600 0.009 0.000 1.237 265 S CA 0.380 58.581 58.200 0.001 0.000 1.796 265 S CB -1.730 61.469 63.200 -0.001 0.000 0.923 265 S HN 2.435 nan 8.310 nan 0.000 0.374 266 A N 0.402 123.229 122.820 0.010 0.000 2.529 266 A HA -0.208 4.113 4.320 0.001 0.000 0.301 266 A C 1.070 178.672 177.584 0.030 0.000 1.477 266 A CA 1.028 53.075 52.037 0.018 0.000 0.841 266 A CB -1.480 17.538 19.000 0.030 0.000 1.011 266 A HN 0.491 nan 8.150 nan 0.000 0.414 267 R N 0.429 120.937 120.500 0.013 0.000 3.457 267 R HA -0.010 4.330 4.340 0.001 0.000 0.218 267 R C 0.980 177.295 176.300 0.025 0.000 1.833 267 R CA 0.896 57.003 56.100 0.011 0.000 1.554 267 R CB -1.588 28.698 30.300 -0.022 0.000 1.143 267 R HN 0.735 nan 8.270 nan 0.000 0.557 268 T N 0.084 114.662 114.554 0.039 0.000 2.934 268 T HA 0.106 4.456 4.350 0.001 0.000 0.306 268 T C 0.541 175.286 174.700 0.074 0.000 1.042 268 T CA -0.010 62.106 62.100 0.027 0.000 1.145 268 T CB 0.283 69.133 68.868 -0.030 0.000 0.982 268 T HN 0.176 nan 8.240 nan 0.000 0.544 269 I N 5.321 125.931 120.570 0.066 0.000 2.339 269 I HA 0.441 4.612 4.170 0.001 0.000 0.290 269 I C 0.301 176.486 176.117 0.113 0.000 0.994 269 I CA -0.738 60.625 61.300 0.105 0.000 1.191 269 I CB 1.443 39.492 38.000 0.081 0.000 1.343 269 I HN 0.598 nan 8.210 nan 0.000 0.458 270 K N 4.872 125.372 120.400 0.166 0.000 2.435 270 K HA 0.887 5.207 4.320 0.001 0.000 0.251 270 K C -1.182 175.527 176.600 0.182 0.000 0.954 270 K CA -0.846 55.529 56.287 0.147 0.000 0.820 270 K CB 2.847 35.383 32.500 0.060 0.000 1.292 270 K HN 0.621 nan 8.250 nan 0.000 0.436 271 A N 1.080 123.993 122.820 0.156 0.000 2.414 271 A HA 0.604 4.924 4.320 0.001 0.000 0.306 271 A C -0.763 176.897 177.584 0.126 0.000 1.054 271 A CA -0.683 51.437 52.037 0.138 0.000 0.724 271 A CB 1.328 20.408 19.000 0.133 0.000 1.267 271 A HN 0.575 nan 8.150 nan 0.000 0.418 272 T N 2.060 116.676 114.554 0.104 0.000 2.909 272 T HA 0.662 5.012 4.350 0.001 0.000 0.286 272 T C -0.211 174.530 174.700 0.068 0.000 1.002 272 T CA -0.179 61.974 62.100 0.088 0.000 1.074 272 T CB 0.549 69.464 68.868 0.078 0.000 0.984 272 T HN 0.473 nan 8.240 nan 0.000 0.495 273 L N 2.693 123.961 121.223 0.074 0.000 2.409 273 L HA 0.494 4.835 4.340 0.001 0.000 0.262 273 L C -2.396 174.528 176.870 0.090 0.000 0.992 273 L CA -2.857 52.028 54.840 0.074 0.000 0.817 273 L CB 2.329 44.457 42.059 0.116 0.000 1.350 273 L HN 0.384 nan 8.230 nan 0.000 0.411 274 P HA -0.066 nan 4.420 nan 0.000 0.262 274 P C -0.554 176.969 177.300 0.372 0.000 1.182 274 P CA 0.565 63.791 63.100 0.210 0.000 0.761 274 P CB 0.275 32.090 31.700 0.191 0.000 0.795 275 Y N -0.401 119.907 120.300 0.013 0.000 4.782 275 Y HA -0.240 4.311 4.550 0.001 0.000 0.273 275 Y C 1.188 177.131 175.900 0.070 0.000 0.984 275 Y CA 0.370 58.508 58.100 0.062 0.000 1.897 275 Y CB -2.331 36.206 38.460 0.129 0.000 1.230 275 Y HN 0.378 nan 8.280 nan 0.000 0.470 276 I N 2.723 123.398 120.570 0.175 0.000 2.293 276 I HA -0.028 4.143 4.170 0.001 0.000 0.299 276 I C 0.772 176.928 176.117 0.065 0.000 1.153 276 I CA 0.143 61.498 61.300 0.092 0.000 1.302 276 I CB 0.300 38.336 38.000 0.059 0.000 1.460 276 I HN 0.065 nan 8.210 nan 0.000 0.552 277 K N 6.417 126.851 120.400 0.058 0.000 3.443 277 K HA -0.025 4.295 4.320 0.001 0.000 0.290 277 K C 0.115 176.728 176.600 0.022 0.000 0.785 277 K CA 0.290 56.595 56.287 0.030 0.000 1.004 277 K CB -0.191 32.324 32.500 0.024 0.000 1.084 277 K HN 0.597 nan 8.250 nan 0.000 0.366 278 Q N -0.596 119.224 119.800 0.033 0.000 2.986 278 Q HA 0.001 4.341 4.340 0.001 0.000 0.330 278 Q C -1.857 174.181 176.000 0.063 0.000 0.804 278 Q CA -0.671 55.158 55.803 0.045 0.000 0.986 278 Q CB 0.698 29.451 28.738 0.027 0.000 1.340 278 Q HN 0.199 nan 8.270 nan 0.000 0.494 279 D N 0.790 121.237 120.400 0.079 0.000 2.299 279 D HA 0.628 5.268 4.640 0.001 0.000 0.243 279 D C -0.580 175.771 176.300 0.086 0.000 0.982 279 D CA -0.244 53.816 54.000 0.100 0.000 0.924 279 D CB 1.396 42.287 40.800 0.152 0.000 1.238 279 D HN 0.415 nan 8.370 nan 0.000 0.484 280 I N 1.355 121.989 120.570 0.106 0.000 2.545 280 I HA 0.209 4.379 4.170 0.001 0.000 0.292 280 I C -2.434 173.758 176.117 0.125 0.000 1.040 280 I CA -2.282 59.099 61.300 0.134 0.000 1.068 280 I CB 2.804 40.889 38.000 0.142 0.000 1.251 280 I HN -0.062 nan 8.210 nan 0.000 0.424 281 P HA 0.128 nan 4.420 nan 0.000 0.274 281 P C 1.212 178.597 177.300 0.142 0.000 1.291 281 P CA -0.112 63.042 63.100 0.090 0.000 0.815 281 P CB 0.362 32.095 31.700 0.055 0.000 0.897 282 I N 1.588 122.260 120.570 0.171 0.000 2.271 282 I HA -0.381 3.789 4.170 0.001 0.000 0.252 282 I C 1.500 177.819 176.117 0.338 0.000 1.043 282 I CA 1.715 63.170 61.300 0.259 0.000 1.337 282 I CB -1.659 36.529 38.000 0.314 0.000 1.024 282 I HN 0.018 nan 8.210 nan 0.000 0.437 283 V N 2.020 122.077 119.914 0.238 0.000 2.215 283 V HA -0.335 3.786 4.120 0.001 0.000 0.246 283 V C 2.598 178.819 176.094 0.211 0.000 1.047 283 V CA 2.746 65.172 62.300 0.209 0.000 0.999 283 V CB -0.817 31.073 31.823 0.113 0.000 0.635 283 V HN 0.462 nan 8.190 nan 0.000 0.450 284 I N -0.234 120.423 120.570 0.146 0.000 2.161 284 I HA -0.389 3.782 4.170 0.001 0.000 0.246 284 I C 2.327 178.520 176.117 0.127 0.000 1.048 284 I CA 2.232 63.612 61.300 0.132 0.000 1.314 284 I CB -0.540 37.568 38.000 0.178 0.000 1.014 284 I HN 0.318 nan 8.210 nan 0.000 0.418 285 I N -0.170 120.475 120.570 0.125 0.000 2.113 285 I HA -0.313 3.857 4.170 0.001 0.000 0.238 285 I C 2.412 178.508 176.117 -0.035 0.000 1.070 285 I CA 1.683 62.991 61.300 0.014 0.000 1.332 285 I CB -0.542 37.448 38.000 -0.017 0.000 1.044 285 I HN 0.039 nan 8.210 nan 0.000 0.402 286 F N 1.019 120.961 119.950 -0.012 0.000 2.271 286 F HA -0.242 4.285 4.527 0.001 0.000 0.302 286 F C 2.593 178.367 175.800 -0.044 0.000 1.063 286 F CA 1.464 59.439 58.000 -0.042 0.000 1.362 286 F CB -0.311 38.688 39.000 -0.002 0.000 1.060 286 F HN -0.014 nan 8.300 nan 0.000 0.521 287 R N -0.979 119.608 120.500 0.146 0.000 2.140 287 R HA 0.125 4.465 4.340 0.001 0.000 0.213 287 R C 2.354 178.669 176.300 0.025 0.000 1.059 287 R CA 0.752 56.900 56.100 0.081 0.000 1.000 287 R CB -0.409 29.934 30.300 0.072 0.000 0.910 287 R HN 0.191 nan 8.270 nan 0.000 0.455 288 A N 0.970 123.789 122.820 -0.001 0.000 2.067 288 A HA -0.046 4.274 4.320 0.001 0.000 0.219 288 A C 1.960 179.491 177.584 -0.089 0.000 1.158 288 A CA 0.920 52.934 52.037 -0.039 0.000 0.661 288 A CB -0.261 18.709 19.000 -0.050 0.000 0.801 288 A HN 0.160 nan 8.150 nan 0.000 0.452 289 L N -1.506 119.643 121.223 -0.123 0.000 2.313 289 L HA 0.157 4.497 4.340 0.001 0.000 0.214 289 L C 1.462 178.285 176.870 -0.077 0.000 1.119 289 L CA 0.781 55.520 54.840 -0.168 0.000 0.809 289 L CB -0.044 41.853 42.059 -0.270 0.000 0.933 289 L HN 0.574 nan 8.230 nan 0.000 0.449 290 G N 0.776 109.561 108.800 -0.025 0.000 2.427 290 G HA2 -0.193 3.767 3.960 0.001 0.000 0.193 290 G HA3 -0.193 3.767 3.960 0.001 0.000 0.193 290 G C -0.051 174.872 174.900 0.038 0.000 1.086 290 G CA -0.465 44.638 45.100 0.005 0.000 0.818 290 G HN 0.238 nan 8.290 nan 0.000 0.490 291 I N 0.864 121.479 120.570 0.075 0.000 2.908 291 I HA 0.228 4.398 4.170 0.001 0.000 0.319 291 I C 1.761 177.944 176.117 0.110 0.000 1.471 291 I CA -0.676 60.696 61.300 0.121 0.000 0.809 291 I CB 0.150 38.269 38.000 0.199 0.000 2.186 291 I HN 0.180 nan 8.210 nan 0.000 0.607 292 I N 2.536 123.149 120.570 0.072 0.000 2.248 292 I HA -0.111 4.060 4.170 0.001 0.000 0.248 292 I C -1.073 175.073 176.117 0.048 0.000 1.107 292 I CA 1.038 62.371 61.300 0.055 0.000 1.373 292 I CB -1.252 36.769 38.000 0.035 0.000 1.055 292 I HN 0.296 nan 8.210 nan 0.000 0.418 293 P HA 0.185 nan 4.420 nan 0.000 0.286 293 P C -0.883 176.433 177.300 0.028 0.000 1.261 293 P CA -0.219 62.903 63.100 0.037 0.000 0.821 293 P CB 1.153 32.873 31.700 0.033 0.000 1.013 294 D N 1.256 121.672 120.400 0.027 0.000 2.169 294 D HA 0.129 4.770 4.640 0.001 0.000 0.253 294 D C 1.814 178.113 176.300 -0.002 0.000 1.257 294 D CA 0.846 54.852 54.000 0.009 0.000 0.976 294 D CB -0.849 39.966 40.800 0.025 0.000 1.195 294 D HN 0.646 nan 8.370 nan 0.000 0.534 295 G N -0.581 108.214 108.800 -0.008 0.000 2.335 295 G HA2 -0.447 3.513 3.960 0.001 0.000 0.264 295 G HA3 -0.447 3.513 3.960 0.001 0.000 0.264 295 G C 0.954 175.852 174.900 -0.004 0.000 0.990 295 G CA 1.677 46.776 45.100 -0.001 0.000 0.647 295 G HN 0.607 nan 8.290 nan 0.000 0.561 296 E N -0.666 119.520 120.200 -0.023 0.000 2.364 296 E HA 0.269 4.620 4.350 0.001 0.000 0.203 296 E C 2.433 178.979 176.600 -0.091 0.000 0.888 296 E CA -0.042 56.327 56.400 -0.051 0.000 0.989 296 E CB 0.075 29.775 29.700 0.000 0.000 0.985 296 E HN 0.489 nan 8.360 nan 0.000 0.499 297 I N 1.714 122.230 120.570 -0.090 0.000 2.756 297 I HA -0.187 3.984 4.170 0.001 0.000 0.262 297 I C 1.774 177.692 176.117 -0.332 0.000 1.225 297 I CA 0.365 61.496 61.300 -0.282 0.000 1.472 297 I CB 0.021 37.828 38.000 -0.321 0.000 1.094 297 I HN 0.273 nan 8.210 nan 0.000 0.454 298 L N 0.170 121.298 121.223 -0.158 0.000 2.127 298 L HA -0.076 4.264 4.340 0.001 0.000 0.203 298 L C 2.316 179.175 176.870 -0.018 0.000 1.080 298 L CA 1.516 56.306 54.840 -0.083 0.000 0.768 298 L CB -1.222 40.822 42.059 -0.025 0.000 0.924 298 L HN 0.274 nan 8.230 nan 0.000 0.444 299 E N -0.567 119.594 120.200 -0.064 0.000 2.171 299 E HA -0.246 4.105 4.350 0.001 0.000 0.197 299 E C 2.008 178.648 176.600 0.065 0.000 0.997 299 E CA 1.132 57.504 56.400 -0.046 0.000 0.810 299 E CB -0.038 29.506 29.700 -0.260 0.000 0.738 299 E HN 0.563 nan 8.360 nan 0.000 0.467 300 H N -0.401 118.729 119.070 0.100 0.000 2.436 300 H HA 0.027 4.583 4.556 0.001 0.000 0.294 300 H C 2.129 177.752 175.328 0.492 0.000 1.048 300 H CA 0.826 57.002 56.048 0.212 0.000 1.353 300 H CB 0.188 29.941 29.762 -0.014 0.000 1.414 300 H HN 0.208 nan 8.280 nan 0.000 0.536 301 I N -0.172 120.575 120.570 0.295 0.000 2.368 301 I HA -0.088 4.082 4.170 0.001 0.000 0.238 301 I C 1.068 177.145 176.117 -0.065 0.000 1.076 301 I CA 0.356 61.736 61.300 0.134 0.000 1.397 301 I CB 0.275 38.288 38.000 0.022 0.000 1.141 301 I HN 0.088 nan 8.210 nan 0.000 0.430 302 C N 1.311 120.612 119.300 0.002 0.000 2.295 302 C HA 0.310 4.770 4.460 0.001 0.000 0.331 302 C C 0.464 175.578 174.990 0.207 0.000 1.280 302 C CA -0.458 58.539 59.018 -0.036 0.000 1.746 302 C CB -0.731 27.014 27.740 0.009 0.000 2.328 302 C HN 0.405 nan 8.230 nan 0.000 0.521 303 Y N 3.848 124.257 120.300 0.181 0.000 2.811 303 Y HA 0.335 4.885 4.550 0.001 0.000 0.330 303 Y C 0.665 176.670 175.900 0.175 0.000 1.081 303 Y CA -0.551 57.673 58.100 0.207 0.000 1.408 303 Y CB 0.093 38.721 38.460 0.280 0.000 1.235 303 Y HN 0.661 nan 8.280 nan 0.000 0.529 304 D N 0.312 120.871 120.400 0.264 0.000 2.369 304 D HA 0.034 4.675 4.640 0.001 0.000 0.212 304 D C -0.495 175.896 176.300 0.152 0.000 1.326 304 D CA -0.190 53.928 54.000 0.197 0.000 0.933 304 D CB 1.642 42.535 40.800 0.154 0.000 1.516 304 D HN -0.018 nan 8.370 nan 0.000 0.557 305 V N 3.962 123.958 119.914 0.137 0.000 3.451 305 V HA 0.130 4.250 4.120 0.001 0.000 0.332 305 V C 1.041 177.193 176.094 0.097 0.000 1.198 305 V CA 0.423 62.779 62.300 0.093 0.000 1.317 305 V CB -0.968 30.872 31.823 0.030 0.000 1.117 305 V HN 0.462 nan 8.190 nan 0.000 0.421 306 N N -0.287 118.487 118.700 0.123 0.000 2.082 306 N HA 0.030 4.770 4.740 0.001 0.000 0.228 306 N C 0.579 176.219 175.510 0.218 0.000 1.341 306 N CA -0.027 53.115 53.050 0.154 0.000 0.873 306 N CB 0.702 39.258 38.487 0.114 0.000 1.137 306 N HN 0.367 nan 8.380 nan 0.000 0.505 307 D N 1.673 122.164 120.400 0.151 0.000 3.060 307 D HA -0.020 4.620 4.640 0.001 0.000 0.245 307 D C 1.621 177.936 176.300 0.025 0.000 1.274 307 D CA -0.638 53.408 54.000 0.076 0.000 0.864 307 D CB -0.279 40.529 40.800 0.015 0.000 1.073 307 D HN 0.282 nan 8.370 nan 0.000 0.473 308 W N 0.969 122.271 121.300 0.004 0.000 2.285 308 W HA -0.297 4.363 4.660 0.001 0.000 0.290 308 W C 1.025 177.540 176.519 -0.007 0.000 1.217 308 W CA 0.503 57.846 57.345 -0.003 0.000 1.207 308 W CB -0.804 28.654 29.460 -0.004 0.000 1.136 308 W HN 0.205 nan 8.180 nan 0.000 0.546 309 Q N 0.740 119.936 119.800 -1.006 0.000 1.856 309 Q HA -0.257 4.083 4.340 0.001 0.000 0.228 309 Q C 2.490 178.234 176.000 -0.428 0.000 0.987 309 Q CA 2.208 57.428 55.803 -0.971 0.000 0.873 309 Q CB -0.938 27.336 28.738 -0.774 0.000 0.928 309 Q HN 0.365 nan 8.270 nan 0.000 0.425 310 M N 0.861 120.291 119.600 -0.283 0.000 2.345 310 M HA -0.320 4.161 4.480 0.001 0.000 0.253 310 M C 2.031 178.253 176.300 -0.129 0.000 1.068 310 M CA 1.883 57.081 55.300 -0.170 0.000 1.069 310 M CB -0.416 32.111 32.600 -0.120 0.000 1.292 310 M HN 0.230 nan 8.290 nan 0.000 0.430 311 L N -0.395 120.772 121.223 -0.094 0.000 1.951 311 L HA -0.306 4.034 4.340 0.001 0.000 0.222 311 L C 2.401 179.238 176.870 -0.055 0.000 1.078 311 L CA 2.043 56.859 54.840 -0.041 0.000 0.778 311 L CB -1.281 40.791 42.059 0.021 0.000 0.893 311 L HN 0.424 nan 8.230 nan 0.000 0.436 312 E N 0.464 120.621 120.200 -0.071 0.000 2.242 312 E HA -0.343 4.008 4.350 0.001 0.000 0.247 312 E C 2.063 178.622 176.600 -0.067 0.000 1.056 312 E CA 2.602 58.963 56.400 -0.065 0.000 0.999 312 E CB -0.521 29.089 29.700 -0.150 0.000 0.891 312 E HN 0.305 nan 8.360 nan 0.000 0.512 313 M N -0.406 119.134 119.600 -0.100 0.000 2.192 313 M HA -0.243 4.237 4.480 0.001 0.000 0.256 313 M C 2.305 178.575 176.300 -0.050 0.000 1.076 313 M CA 1.535 56.789 55.300 -0.077 0.000 1.075 313 M CB -0.482 32.061 32.600 -0.095 0.000 1.368 313 M HN 0.218 nan 8.290 nan 0.000 0.406 314 L N -0.483 120.711 121.223 -0.049 0.000 2.191 314 L HA -0.197 4.144 4.340 0.001 0.000 0.212 314 L C 2.403 179.258 176.870 -0.024 0.000 1.103 314 L CA 0.995 55.816 54.840 -0.032 0.000 0.769 314 L CB -0.750 41.288 42.059 -0.035 0.000 0.908 314 L HN 0.324 nan 8.230 nan 0.000 0.438 315 K N 0.511 120.894 120.400 -0.027 0.000 1.980 315 K HA -0.207 4.113 4.320 0.001 0.000 0.223 315 K C -0.244 176.339 176.600 -0.029 0.000 1.052 315 K CA 2.186 58.457 56.287 -0.027 0.000 0.974 315 K CB -1.418 31.068 32.500 -0.024 0.000 0.734 315 K HN 0.262 nan 8.250 nan 0.000 0.447 316 P HA -0.227 nan 4.420 nan 0.000 0.217 316 P C 1.694 178.987 177.300 -0.012 0.000 1.148 316 P CA 1.401 64.487 63.100 -0.024 0.000 0.828 316 P CB -0.249 31.439 31.700 -0.019 0.000 0.783 317 C N -0.419 118.877 119.300 -0.006 0.000 2.411 317 C HA -0.079 4.381 4.460 0.001 0.000 0.279 317 C C 2.725 177.726 174.990 0.019 0.000 1.288 317 C CA 0.791 59.815 59.018 0.009 0.000 1.764 317 C CB -1.616 26.131 27.740 0.011 0.000 1.974 317 C HN 0.065 nan 8.230 nan 0.000 0.498 318 V N 0.551 120.471 119.914 0.010 0.000 2.273 318 V HA -0.124 3.997 4.120 0.001 0.000 0.242 318 V C 2.359 178.483 176.094 0.051 0.000 1.035 318 V CA 2.088 64.403 62.300 0.026 0.000 1.013 318 V CB -0.963 30.864 31.823 0.008 0.000 0.652 318 V HN 0.494 nan 8.190 nan 0.000 0.452 319 E N 0.163 120.368 120.200 0.008 0.000 2.339 319 E HA -0.295 4.055 4.350 0.001 0.000 0.201 319 E C 1.815 178.463 176.600 0.081 0.000 1.015 319 E CA 1.203 57.609 56.400 0.010 0.000 0.841 319 E CB -0.211 29.436 29.700 -0.089 0.000 0.754 319 E HN 0.558 nan 8.360 nan 0.000 0.508 320 D N 0.119 120.546 120.400 0.045 0.000 2.084 320 D HA -0.106 4.534 4.640 0.001 0.000 0.194 320 D C 1.899 178.216 176.300 0.028 0.000 0.990 320 D CA 1.477 55.492 54.000 0.026 0.000 0.826 320 D CB -0.234 40.573 40.800 0.012 0.000 0.971 320 D HN 0.244 nan 8.370 nan 0.000 0.453 321 G N -1.009 107.822 108.800 0.052 0.000 3.042 321 G HA2 -0.126 3.834 3.960 0.001 0.000 0.212 321 G HA3 -0.126 3.834 3.960 0.001 0.000 0.212 321 G C 1.132 176.060 174.900 0.047 0.000 1.166 321 G CA -0.273 44.840 45.100 0.022 0.000 0.767 321 G HN 0.223 nan 8.290 nan 0.000 0.546 322 F N 1.636 121.556 119.950 -0.051 0.000 2.271 322 F HA -0.146 4.382 4.527 0.001 0.000 0.302 322 F C 2.014 177.781 175.800 -0.056 0.000 1.063 322 F CA 1.110 59.084 58.000 -0.043 0.000 1.362 322 F CB 0.280 39.259 39.000 -0.036 0.000 1.060 322 F HN 0.040 nan 8.300 nan 0.000 0.521 323 V N 0.008 119.815 119.914 -0.177 0.000 3.541 323 V HA 0.060 4.180 4.120 0.001 0.000 0.267 323 V C 1.151 177.091 176.094 -0.256 0.000 1.213 323 V CA 0.409 62.542 62.300 -0.278 0.000 1.149 323 V CB -0.575 31.138 31.823 -0.185 0.000 0.822 323 V HN 0.167 nan 8.190 nan 0.000 0.462 324 I N -0.283 120.163 120.570 -0.206 0.000 2.947 324 I HA 0.446 4.617 4.170 0.001 0.000 0.314 324 I C 0.626 176.669 176.117 -0.123 0.000 1.028 324 I CA -0.273 60.937 61.300 -0.150 0.000 1.077 324 I CB 2.186 40.119 38.000 -0.112 0.000 1.274 324 I HN 0.034 nan 8.210 nan 0.000 0.485 325 Q N 2.240 121.993 119.800 -0.078 0.000 1.720 325 Q HA 0.151 4.492 4.340 0.001 0.000 0.164 325 Q C -1.850 174.135 176.000 -0.025 0.000 0.781 325 Q CA -0.244 55.522 55.803 -0.061 0.000 0.818 325 Q CB 0.388 29.062 28.738 -0.107 0.000 1.228 325 Q HN 0.741 nan 8.270 nan 0.000 0.376 326 D N -2.148 118.246 120.400 -0.010 0.000 2.663 326 D HA 0.131 4.771 4.640 0.001 0.000 0.233 326 D C -0.245 176.062 176.300 0.012 0.000 1.240 326 D CA -0.649 53.352 54.000 0.002 0.000 0.774 326 D CB 0.522 41.320 40.800 -0.004 0.000 1.443 326 D HN 0.043 nan 8.370 nan 0.000 0.441 327 R N -0.216 120.292 120.500 0.014 0.000 2.421 327 R HA -0.156 4.184 4.340 0.001 0.000 0.208 327 R C 0.954 177.260 176.300 0.011 0.000 1.103 327 R CA 1.413 57.520 56.100 0.011 0.000 1.065 327 R CB 0.104 30.408 30.300 0.006 0.000 0.839 327 R HN 0.441 nan 8.270 nan 0.000 0.480 328 E N -1.007 119.201 120.200 0.014 0.000 2.067 328 E HA 0.002 4.353 4.350 0.001 0.000 0.194 328 E C 1.327 177.945 176.600 0.031 0.000 0.950 328 E CA 1.777 58.188 56.400 0.017 0.000 0.872 328 E CB -0.342 29.366 29.700 0.012 0.000 0.877 328 E HN 0.086 nan 8.360 nan 0.000 0.470 329 T N 1.264 115.834 114.554 0.027 0.000 2.869 329 T HA -0.180 4.170 4.350 0.001 0.000 0.270 329 T C 1.711 176.459 174.700 0.080 0.000 1.082 329 T CA 1.303 63.429 62.100 0.044 0.000 1.123 329 T CB -0.595 68.277 68.868 0.006 0.000 0.856 329 T HN 0.363 nan 8.240 nan 0.000 0.499 330 A N 1.590 124.445 122.820 0.058 0.000 1.841 330 A HA -0.030 4.291 4.320 0.001 0.000 0.216 330 A C 2.154 179.789 177.584 0.083 0.000 1.199 330 A CA 1.430 53.511 52.037 0.073 0.000 0.621 330 A CB -0.843 18.181 19.000 0.041 0.000 0.835 330 A HN 0.403 nan 8.150 nan 0.000 0.445 331 L N 0.145 121.392 121.223 0.042 0.000 2.217 331 L HA -0.091 4.249 4.340 0.001 0.000 0.211 331 L C 2.108 179.000 176.870 0.037 0.000 1.107 331 L CA 1.944 56.794 54.840 0.016 0.000 0.783 331 L CB -0.739 41.315 42.059 -0.008 0.000 0.919 331 L HN 0.624 nan 8.230 nan 0.000 0.442 332 D N 0.117 120.558 120.400 0.069 0.000 2.092 332 D HA -0.313 4.327 4.640 0.001 0.000 0.193 332 D C 1.419 177.784 176.300 0.109 0.000 0.994 332 D CA 1.000 55.051 54.000 0.084 0.000 0.828 332 D CB -0.222 40.634 40.800 0.094 0.000 0.963 332 D HN 0.195 nan 8.370 nan 0.000 0.450 333 F N 0.193 120.151 119.950 0.013 0.000 2.665 333 F HA 0.268 4.795 4.527 0.001 0.000 0.360 333 F C 0.416 176.229 175.800 0.021 0.000 1.168 333 F CA 0.356 58.367 58.000 0.018 0.000 1.366 333 F CB -0.349 38.658 39.000 0.012 0.000 1.592 333 F HN 0.131 nan 8.300 nan 0.000 0.610 334 I N -0.790 119.672 120.570 -0.180 0.000 5.294 334 I HA 0.077 4.247 4.170 0.001 0.000 0.370 334 I C 1.798 177.860 176.117 -0.093 0.000 1.158 334 I CA 0.202 61.394 61.300 -0.180 0.000 1.569 334 I CB 0.020 37.962 38.000 -0.096 0.000 1.944 334 I HN 0.154 nan 8.210 nan 0.000 0.654 335 G N 1.716 110.501 108.800 -0.025 0.000 3.452 335 G HA2 0.190 4.150 3.960 0.001 0.000 0.258 335 G HA3 0.190 4.150 3.960 0.001 0.000 0.258 335 G C 0.902 175.828 174.900 0.044 0.000 1.305 335 G CA 0.110 45.263 45.100 0.089 0.000 1.514 335 G HN 0.271 nan 8.290 nan 0.000 0.593 336 R N -0.961 119.521 120.500 -0.029 0.000 2.880 336 R HA 0.076 4.416 4.340 0.001 0.000 0.156 336 R C 0.486 176.748 176.300 -0.064 0.000 0.884 336 R CA -0.475 55.590 56.100 -0.059 0.000 1.623 336 R CB 0.277 30.493 30.300 -0.141 0.000 1.687 336 R HN 0.068 nan 8.270 nan 0.000 0.538 337 R N 1.563 121.994 120.500 -0.115 0.000 4.680 337 R HA 0.296 4.636 4.340 0.001 0.000 0.222 337 R C 0.500 176.829 176.300 0.047 0.000 1.803 337 R CA 0.566 56.619 56.100 -0.079 0.000 1.560 337 R CB 0.382 30.582 30.300 -0.167 0.000 1.412 337 R HN 0.543 nan 8.270 nan 0.000 0.815 338 G N -0.688 108.178 108.800 0.111 0.000 3.259 338 G HA2 -0.209 3.751 3.960 0.001 0.000 0.217 338 G HA3 -0.209 3.751 3.960 0.001 0.000 0.217 338 G C 0.214 175.244 174.900 0.215 0.000 0.993 338 G CA -0.154 45.081 45.100 0.225 0.000 0.836 338 G HN 0.402 nan 8.290 nan 0.000 0.514 339 T N 1.156 115.807 114.554 0.162 0.000 2.918 339 T HA 0.665 5.015 4.350 0.001 0.000 0.283 339 T C 0.877 175.552 174.700 -0.042 0.000 1.001 339 T CA 0.830 62.903 62.100 -0.045 0.000 1.041 339 T CB 0.901 69.772 68.868 0.005 0.000 1.028 339 T HN 1.394 nan 8.240 nan 0.000 0.511 340 A N 3.525 126.295 122.820 -0.083 0.000 2.567 340 A HA 0.150 4.470 4.320 0.001 0.000 0.240 340 A C 1.336 178.904 177.584 -0.026 0.000 1.053 340 A CA -0.256 51.751 52.037 -0.050 0.000 0.755 340 A CB -0.366 18.599 19.000 -0.058 0.000 0.978 340 A HN 0.920 nan 8.150 nan 0.000 0.507 341 L N 2.833 124.046 121.223 -0.016 0.000 2.651 341 L HA -0.006 4.334 4.340 0.001 0.000 0.236 341 L C 1.716 178.584 176.870 -0.004 0.000 1.173 341 L CA 2.235 57.071 54.840 -0.006 0.000 0.843 341 L CB -0.383 41.674 42.059 -0.004 0.000 0.964 341 L HN 0.833 nan 8.230 nan 0.000 0.454 342 G N -2.088 106.706 108.800 -0.010 0.000 2.727 342 G HA2 0.108 4.069 3.960 0.001 0.000 0.207 342 G HA3 0.108 4.069 3.960 0.001 0.000 0.207 342 G C 0.601 175.497 174.900 -0.008 0.000 1.060 342 G CA -0.317 44.779 45.100 -0.007 0.000 0.814 342 G HN 0.093 nan 8.290 nan 0.000 0.576 343 I N 2.712 123.271 120.570 -0.017 0.000 3.417 343 I HA -0.114 4.056 4.170 0.001 0.000 0.317 343 I C 0.361 176.476 176.117 -0.002 0.000 1.257 343 I CA 0.462 61.751 61.300 -0.019 0.000 1.379 343 I CB -0.842 37.135 38.000 -0.038 0.000 1.419 343 I HN 0.217 nan 8.210 nan 0.000 0.507 344 K N 7.691 128.091 120.400 0.000 0.000 2.075 344 K HA -0.177 4.144 4.320 0.001 0.000 0.246 344 K C 1.185 177.795 176.600 0.016 0.000 1.293 344 K CA 0.266 56.558 56.287 0.008 0.000 1.342 344 K CB -0.110 32.394 32.500 0.007 0.000 0.820 344 K HN 0.472 nan 8.250 nan 0.000 0.436 345 K N 1.613 122.026 120.400 0.021 0.000 2.469 345 K HA -0.450 3.870 4.320 0.001 0.000 0.109 345 K C 1.345 177.965 176.600 0.034 0.000 0.764 345 K CA 2.159 58.464 56.287 0.030 0.000 0.784 345 K CB -0.573 31.944 32.500 0.029 0.000 0.350 345 K HN 0.805 nan 8.250 nan 0.000 1.042 346 E N 1.032 121.251 120.200 0.032 0.000 2.950 346 E HA -0.480 3.870 4.350 0.001 0.000 0.208 346 E C 1.803 178.427 176.600 0.041 0.000 0.906 346 E CA 3.272 59.691 56.400 0.032 0.000 1.607 346 E CB -0.571 29.144 29.700 0.025 0.000 1.582 346 E HN 0.558 nan 8.360 nan 0.000 0.440 347 K N 1.001 121.424 120.400 0.038 0.000 2.089 347 K HA -0.289 4.031 4.320 0.001 0.000 0.210 347 K C 2.464 179.113 176.600 0.082 0.000 1.048 347 K CA 2.353 58.668 56.287 0.047 0.000 0.926 347 K CB -0.773 31.744 32.500 0.028 0.000 0.714 347 K HN 0.495 nan 8.250 nan 0.000 0.448 348 R N 1.448 121.996 120.500 0.080 0.000 2.134 348 R HA -0.182 4.158 4.340 0.001 0.000 0.248 348 R C 2.314 178.707 176.300 0.154 0.000 1.143 348 R CA 2.141 58.322 56.100 0.136 0.000 0.957 348 R CB -1.183 29.174 30.300 0.095 0.000 0.867 348 R HN 0.275 nan 8.270 nan 0.000 0.441 349 I N 0.954 121.578 120.570 0.090 0.000 2.163 349 I HA -0.274 3.896 4.170 0.001 0.000 0.243 349 I C 2.819 178.971 176.117 0.058 0.000 1.085 349 I CA 1.669 63.006 61.300 0.062 0.000 1.347 349 I CB -0.473 37.554 38.000 0.046 0.000 1.044 349 I HN 0.256 nan 8.210 nan 0.000 0.408 350 Q N 0.520 120.364 119.800 0.073 0.000 2.181 350 Q HA -0.274 4.067 4.340 0.001 0.000 0.205 350 Q C 2.043 178.107 176.000 0.106 0.000 0.980 350 Q CA 1.850 57.695 55.803 0.070 0.000 0.862 350 Q CB -0.593 28.185 28.738 0.067 0.000 0.905 350 Q HN 0.616 nan 8.270 nan 0.000 0.429 351 Y N -0.129 120.170 120.300 -0.001 0.000 2.163 351 Y HA -0.052 4.498 4.550 0.000 0.000 0.288 351 Y C 1.985 177.878 175.900 -0.011 0.000 1.136 351 Y CA 1.630 59.726 58.100 -0.006 0.000 1.147 351 Y CB -0.985 37.475 38.460 -0.000 0.000 0.987 351 Y HN 0.126 nan 8.280 nan 0.000 0.509 352 A N 1.142 123.836 122.820 -0.209 0.000 1.892 352 A HA -0.240 4.080 4.320 0.001 0.000 0.218 352 A C 2.270 179.732 177.584 -0.203 0.000 1.188 352 A CA 2.150 54.003 52.037 -0.308 0.000 0.631 352 A CB -0.698 18.219 19.000 -0.138 0.000 0.822 352 A HN 0.551 nan 8.150 nan 0.000 0.447 353 K N -0.299 120.043 120.400 -0.097 0.000 1.980 353 K HA -0.222 4.098 4.320 0.001 0.000 0.223 353 K C 1.727 178.285 176.600 -0.070 0.000 1.052 353 K CA 1.696 57.945 56.287 -0.063 0.000 0.974 353 K CB -0.647 31.841 32.500 -0.020 0.000 0.734 353 K HN 0.486 nan 8.250 nan 0.000 0.447 354 D N 0.881 121.256 120.400 -0.042 0.000 2.303 354 D HA -0.250 4.390 4.640 0.001 0.000 0.190 354 D C 2.024 178.283 176.300 -0.068 0.000 1.011 354 D CA 1.985 55.969 54.000 -0.027 0.000 0.860 354 D CB -0.594 40.218 40.800 0.019 0.000 0.961 354 D HN 0.218 nan 8.370 nan 0.000 0.453 355 I N 0.879 121.350 120.570 -0.165 0.000 2.094 355 I HA -0.340 3.830 4.170 0.001 0.000 0.236 355 I C 2.748 178.825 176.117 -0.065 0.000 1.016 355 I CA 1.191 62.374 61.300 -0.194 0.000 1.294 355 I CB -0.615 37.174 38.000 -0.352 0.000 1.006 355 I HN 0.018 nan 8.210 nan 0.000 0.397 356 L N -0.087 121.097 121.223 -0.065 0.000 2.211 356 L HA -0.316 4.025 4.340 0.001 0.000 0.216 356 L C 2.703 179.593 176.870 0.035 0.000 1.092 356 L CA 1.543 56.374 54.840 -0.016 0.000 0.767 356 L CB -0.550 41.428 42.059 -0.134 0.000 0.894 356 L HN 0.448 nan 8.230 nan 0.000 0.437 357 Q N -0.158 119.651 119.800 0.014 0.000 2.033 357 Q HA -0.156 4.185 4.340 0.001 0.000 0.196 357 Q C 1.993 178.030 176.000 0.062 0.000 0.970 357 Q CA 1.213 57.039 55.803 0.038 0.000 0.828 357 Q CB 0.224 28.978 28.738 0.026 0.000 0.895 357 Q HN 0.448 nan 8.270 nan 0.000 0.440 358 K N -0.678 119.759 120.400 0.062 0.000 2.334 358 K HA 0.041 4.361 4.320 0.001 0.000 0.195 358 K C 1.565 178.255 176.600 0.151 0.000 1.045 358 K CA 0.342 56.694 56.287 0.109 0.000 1.004 358 K CB 0.554 33.137 32.500 0.139 0.000 0.837 358 K HN 0.098 nan 8.250 nan 0.000 0.510 359 E N 0.040 120.288 120.200 0.080 0.000 2.340 359 E HA 0.034 4.384 4.350 0.001 0.000 0.198 359 E C -0.083 176.575 176.600 0.096 0.000 0.961 359 E CA -0.021 56.413 56.400 0.056 0.000 0.905 359 E CB 0.198 29.858 29.700 -0.066 0.000 0.884 359 E HN 0.077 nan 8.360 nan 0.000 0.491 360 F N 2.059 122.009 119.950 -0.001 0.000 2.472 360 F HA 0.123 4.650 4.527 0.000 0.000 0.364 360 F C 0.883 176.703 175.800 0.034 0.000 1.090 360 F CA -0.592 57.415 58.000 0.013 0.000 1.188 360 F CB 0.441 39.433 39.000 -0.014 0.000 1.105 360 F HN -0.122 nan 8.300 nan 0.000 0.536 361 L N 8.855 129.818 121.223 -0.434 0.000 3.941 361 L HA -0.247 4.093 4.340 0.001 0.000 0.455 361 L C -1.478 175.416 176.870 0.041 0.000 1.179 361 L CA 0.256 54.996 54.840 -0.166 0.000 0.782 361 L CB -0.921 41.026 42.059 -0.188 0.000 1.679 361 L HN 0.586 nan 8.230 nan 0.000 0.871 362 P HA -0.256 nan 4.420 nan 0.000 0.219 362 P C 0.820 178.149 177.300 0.048 0.000 1.149 362 P CA 2.164 65.317 63.100 0.088 0.000 0.835 362 P CB -0.507 31.288 31.700 0.158 0.000 0.778 363 H N -1.065 117.961 119.070 -0.074 0.000 2.309 363 H HA 0.176 4.733 4.556 0.001 0.000 0.341 363 H C 1.633 176.864 175.328 -0.162 0.000 1.677 363 H CA -0.169 55.817 56.048 -0.104 0.000 1.440 363 H CB 0.143 29.841 29.762 -0.108 0.000 1.693 363 H HN -0.056 nan 8.280 nan 0.000 0.608 364 I N -1.861 118.320 120.570 -0.649 0.000 4.407 364 I HA -0.397 3.773 4.170 0.001 0.000 0.066 364 I C 0.113 175.963 176.117 -0.444 0.000 0.591 364 I CA 2.134 63.029 61.300 -0.676 0.000 1.050 364 I CB -1.143 36.286 38.000 -0.952 0.000 0.939 364 I HN 0.921 nan 8.210 nan 0.000 0.169 365 T N -0.788 113.544 114.554 -0.370 0.000 3.404 365 T HA 0.131 4.481 4.350 0.001 0.000 0.436 365 T C -0.604 173.976 174.700 -0.200 0.000 1.532 365 T CA -0.303 61.591 62.100 -0.344 0.000 1.062 365 T CB 0.801 69.256 68.868 -0.688 0.000 1.549 365 T HN 0.338 nan 8.240 nan 0.000 0.449 366 Q N 3.271 122.996 119.800 -0.126 0.000 2.247 366 Q HA 0.344 4.684 4.340 0.001 0.000 0.204 366 Q C 1.745 177.733 176.000 -0.021 0.000 0.872 366 Q CA -0.155 55.626 55.803 -0.037 0.000 0.951 366 Q CB 0.407 29.135 28.738 -0.017 0.000 1.099 366 Q HN 0.601 nan 8.270 nan 0.000 0.501 367 L N 0.386 121.573 121.223 -0.060 0.000 1.892 367 L HA -0.214 4.126 4.340 0.001 0.000 0.233 367 L C 1.723 178.672 176.870 0.131 0.000 1.090 367 L CA 2.032 56.897 54.840 0.041 0.000 0.821 367 L CB -0.251 41.850 42.059 0.069 0.000 0.896 367 L HN 0.306 nan 8.230 nan 0.000 0.428 368 E N -2.635 117.742 120.200 0.295 0.000 2.428 368 E HA -0.018 4.332 4.350 0.001 0.000 0.285 368 E C 1.151 177.901 176.600 0.250 0.000 1.083 368 E CA 0.506 57.038 56.400 0.220 0.000 2.109 368 E CB -0.807 28.964 29.700 0.118 0.000 2.554 368 E HN 0.307 nan 8.360 nan 0.000 1.108 369 G N 0.733 109.608 108.800 0.125 0.000 3.211 369 G HA2 0.119 4.080 3.960 0.001 0.000 0.235 369 G HA3 0.119 4.080 3.960 0.001 0.000 0.235 369 G C -0.267 174.356 174.900 -0.462 0.000 1.032 369 G CA 0.402 45.403 45.100 -0.166 0.000 1.819 369 G HN 0.153 nan 8.290 nan 0.000 0.590 370 F N -1.078 118.869 119.950 -0.005 0.000 2.815 370 F HA 0.284 4.812 4.527 0.000 0.000 0.323 370 F C 1.345 177.143 175.800 -0.003 0.000 1.151 370 F CA -0.697 57.304 58.000 0.002 0.000 1.191 370 F CB 0.685 39.683 39.000 -0.003 0.000 1.069 370 F HN 0.057 nan 8.300 nan 0.000 0.514 371 E N 0.644 120.898 120.200 0.090 0.000 2.147 371 E HA -0.243 4.107 4.350 0.001 0.000 0.199 371 E C 2.342 178.962 176.600 0.033 0.000 1.005 371 E CA 2.051 58.459 56.400 0.013 0.000 0.810 371 E CB -0.397 29.287 29.700 -0.026 0.000 0.736 371 E HN 0.396 nan 8.360 nan 0.000 0.460 372 S N -0.340 115.413 115.700 0.088 0.000 2.406 372 S HA -0.077 4.394 4.470 0.001 0.000 0.228 372 S C 2.017 176.796 174.600 0.298 0.000 1.020 372 S CA 0.804 59.111 58.200 0.179 0.000 0.965 372 S CB -0.052 63.265 63.200 0.194 0.000 0.798 372 S HN 0.107 nan 8.310 nan 0.000 0.488 373 R N 1.064 121.715 120.500 0.251 0.000 2.075 373 R HA 0.160 4.500 4.340 0.001 0.000 0.226 373 R C 2.521 178.994 176.300 0.290 0.000 1.114 373 R CA 1.213 57.464 56.100 0.251 0.000 0.972 373 R CB -0.096 30.361 30.300 0.262 0.000 0.869 373 R HN 0.414 nan 8.270 nan 0.000 0.437 374 K N -0.072 120.463 120.400 0.225 0.000 1.984 374 K HA -0.042 4.278 4.320 0.001 0.000 0.209 374 K C 2.029 178.807 176.600 0.296 0.000 1.046 374 K CA 1.338 57.787 56.287 0.270 0.000 0.934 374 K CB -0.168 32.439 32.500 0.178 0.000 0.717 374 K HN 0.107 nan 8.250 nan 0.000 0.438 375 A N 0.383 123.224 122.820 0.034 0.000 2.076 375 A HA -0.153 4.167 4.320 0.001 0.000 0.220 375 A C 1.842 179.457 177.584 0.052 0.000 1.160 375 A CA 1.216 53.140 52.037 -0.187 0.000 0.653 375 A CB -0.662 18.127 19.000 -0.352 0.000 0.801 375 A HN 0.288 nan 8.150 nan 0.000 0.455 376 F N -2.654 117.432 119.950 0.227 0.000 2.512 376 F HA 0.077 4.604 4.527 0.001 0.000 0.296 376 F C 1.777 178.055 175.800 0.796 0.000 1.110 376 F CA 0.589 58.852 58.000 0.439 0.000 1.446 376 F CB 0.025 39.125 39.000 0.166 0.000 1.092 376 F HN 0.333 nan 8.300 nan 0.000 0.554 377 F N -0.224 120.166 119.950 0.733 0.000 2.123 377 F HA -0.107 4.420 4.527 0.001 0.000 0.289 377 F C 2.206 178.345 175.800 0.566 0.000 1.099 377 F CA 0.916 59.355 58.000 0.732 0.000 1.234 377 F CB -0.755 38.567 39.000 0.536 0.000 1.034 377 F HN -0.126 nan 8.300 nan 0.000 0.479 378 L N 0.793 122.374 121.223 0.596 0.000 2.103 378 L HA -0.146 4.194 4.340 0.001 0.000 0.215 378 L C 2.163 179.263 176.870 0.384 0.000 1.080 378 L CA 2.345 57.410 54.840 0.376 0.000 0.764 378 L CB -1.672 40.505 42.059 0.197 0.000 0.890 378 L HN 0.226 nan 8.230 nan 0.000 0.435 379 G N -1.724 107.421 108.800 0.575 0.000 2.434 379 G HA2 -0.372 3.588 3.960 0.001 0.000 0.214 379 G HA3 -0.372 3.588 3.960 0.001 0.000 0.214 379 G C 1.543 176.713 174.900 0.451 0.000 1.202 379 G CA 0.748 46.251 45.100 0.671 0.000 0.788 379 G HN 0.550 nan 8.290 nan 0.000 0.539 380 Y N 1.097 121.627 120.300 0.382 0.000 2.283 380 Y HA -0.154 4.396 4.550 0.001 0.000 0.285 380 Y C 2.655 178.497 175.900 -0.096 0.000 1.176 380 Y CA 1.630 59.780 58.100 0.082 0.000 1.229 380 Y CB -0.080 38.251 38.460 -0.216 0.000 0.975 380 Y HN 0.178 nan 8.280 nan 0.000 0.537 381 M N -1.294 118.196 119.600 -0.184 0.000 2.299 381 M HA -0.059 4.422 4.480 0.001 0.000 0.264 381 M C 2.076 178.281 176.300 -0.158 0.000 1.095 381 M CA 1.113 56.241 55.300 -0.286 0.000 1.165 381 M CB -0.249 32.274 32.600 -0.129 0.000 1.349 381 M HN 0.135 nan 8.290 nan 0.000 0.446 382 I N 0.859 121.435 120.570 0.009 0.000 2.530 382 I HA -0.303 3.867 4.170 0.001 0.000 0.257 382 I C 2.004 178.093 176.117 -0.046 0.000 1.179 382 I CA 1.057 62.380 61.300 0.039 0.000 1.440 382 I CB -0.760 37.340 38.000 0.166 0.000 1.087 382 I HN 0.416 nan 8.210 nan 0.000 0.440 383 N N 1.226 119.862 118.700 -0.106 0.000 2.093 383 N HA -0.134 4.606 4.740 0.001 0.000 0.191 383 N C 1.956 177.324 175.510 -0.237 0.000 1.062 383 N CA 1.122 54.059 53.050 -0.188 0.000 0.854 383 N CB -0.038 38.297 38.487 -0.254 0.000 1.043 383 N HN -0.085 nan 8.380 nan 0.000 0.438 384 R N 0.202 120.469 120.500 -0.390 0.000 2.208 384 R HA -0.207 4.133 4.340 0.001 0.000 0.262 384 R C 1.977 178.142 176.300 -0.225 0.000 1.166 384 R CA 0.942 56.817 56.100 -0.375 0.000 0.987 384 R CB -1.473 28.489 30.300 -0.563 0.000 0.887 384 R HN 0.391 nan 8.270 nan 0.000 0.459 385 L N 0.799 121.914 121.223 -0.181 0.000 1.910 385 L HA -0.164 4.177 4.340 0.001 0.000 0.221 385 L C 2.371 179.194 176.870 -0.078 0.000 1.084 385 L CA 1.659 56.438 54.840 -0.102 0.000 0.779 385 L CB -0.877 41.142 42.059 -0.067 0.000 0.888 385 L HN 0.096 nan 8.230 nan 0.000 0.432 386 L N -0.919 120.251 121.223 -0.088 0.000 2.151 386 L HA -0.302 4.038 4.340 0.001 0.000 0.215 386 L C 2.491 179.310 176.870 -0.086 0.000 1.084 386 L CA 0.817 55.601 54.840 -0.094 0.000 0.764 386 L CB -0.896 41.102 42.059 -0.102 0.000 0.891 386 L HN 0.352 nan 8.230 nan 0.000 0.435 387 L N -0.766 120.398 121.223 -0.098 0.000 2.197 387 L HA -0.297 4.043 4.340 0.001 0.000 0.215 387 L C 2.470 179.309 176.870 -0.051 0.000 1.095 387 L CA 1.819 56.607 54.840 -0.087 0.000 0.764 387 L CB -0.865 41.127 42.059 -0.112 0.000 0.897 387 L HN 0.508 nan 8.230 nan 0.000 0.436 388 C N -2.364 116.921 119.300 -0.025 0.000 2.800 388 C HA 0.363 4.824 4.460 0.001 0.000 0.379 388 C C 2.899 177.950 174.990 0.101 0.000 1.304 388 C CA 0.093 59.127 59.018 0.027 0.000 1.960 388 C CB -0.672 27.083 27.740 0.025 0.000 2.599 388 C HN 0.507 nan 8.230 nan 0.000 0.578 389 A N 1.078 123.952 122.820 0.091 0.000 2.042 389 A HA 0.008 4.328 4.320 0.001 0.000 0.222 389 A C 0.909 178.479 177.584 -0.024 0.000 1.167 389 A CA 1.248 53.257 52.037 -0.046 0.000 0.649 389 A CB -0.654 18.178 19.000 -0.279 0.000 0.809 389 A HN 0.691 nan 8.150 nan 0.000 0.457 390 L N 1.019 122.222 121.223 -0.033 0.000 2.321 390 L HA 0.248 4.588 4.340 0.001 0.000 0.272 390 L C -1.157 175.705 176.870 -0.014 0.000 1.050 390 L CA -0.794 54.019 54.840 -0.046 0.000 0.893 390 L CB 0.592 42.601 42.059 -0.084 0.000 1.272 390 L HN 0.060 nan 8.230 nan 0.000 0.435 391 D N 2.805 123.211 120.400 0.010 0.000 3.757 391 D HA -0.098 4.542 4.640 0.001 0.000 0.272 391 D C 0.985 177.284 176.300 -0.001 0.000 1.541 391 D CA 0.880 54.887 54.000 0.012 0.000 1.161 391 D CB 0.297 41.105 40.800 0.014 0.000 1.224 391 D HN 0.472 nan 8.370 nan 0.000 0.658 392 R N 1.215 121.712 120.500 -0.005 0.000 2.551 392 R HA 0.140 4.480 4.340 0.001 0.000 0.202 392 R C 0.004 176.300 176.300 -0.007 0.000 0.861 392 R CA -0.143 55.952 56.100 -0.009 0.000 1.018 392 R CB 0.793 31.082 30.300 -0.020 0.000 1.435 392 R HN -0.024 nan 8.270 nan 0.000 0.659 393 K N 2.171 122.564 120.400 -0.011 0.000 2.613 393 K HA 0.212 4.533 4.320 0.001 0.000 0.248 393 K C -1.338 175.254 176.600 -0.013 0.000 0.959 393 K CA -0.408 55.871 56.287 -0.013 0.000 0.855 393 K CB 2.032 34.515 32.500 -0.027 0.000 1.143 393 K HN 0.051 nan 8.250 nan 0.000 0.437 394 D N 1.940 122.338 120.400 -0.004 0.000 2.461 394 D HA -0.162 4.478 4.640 0.001 0.000 0.231 394 D C 0.642 176.936 176.300 -0.011 0.000 1.208 394 D CA 0.872 54.870 54.000 -0.003 0.000 0.879 394 D CB 0.841 41.648 40.800 0.010 0.000 1.220 394 D HN 0.374 nan 8.370 nan 0.000 0.480 395 Q N 0.936 120.728 119.800 -0.014 0.000 2.395 395 Q HA -0.070 4.271 4.340 0.001 0.000 0.271 395 Q C -0.334 175.684 176.000 0.030 0.000 1.026 395 Q CA -0.153 55.642 55.803 -0.012 0.000 0.900 395 Q CB 0.639 29.379 28.738 0.003 0.000 1.266 395 Q HN 0.272 nan 8.270 nan 0.000 0.430 396 D N 2.818 123.223 120.400 0.008 0.000 2.450 396 D HA -0.076 4.564 4.640 0.001 0.000 0.247 396 D C -0.661 175.757 176.300 0.197 0.000 1.162 396 D CA 0.380 54.410 54.000 0.050 0.000 0.879 396 D CB 0.536 41.277 40.800 -0.099 0.000 1.163 396 D HN 0.511 nan 8.370 nan 0.000 0.472 397 D N 3.243 123.744 120.400 0.168 0.000 2.363 397 D HA -0.043 4.597 4.640 0.001 0.000 0.263 397 D C 1.048 177.461 176.300 0.188 0.000 1.258 397 D CA -0.037 54.067 54.000 0.174 0.000 0.907 397 D CB 0.466 41.373 40.800 0.179 0.000 1.107 397 D HN 0.303 nan 8.370 nan 0.000 0.495 398 R N 2.447 123.042 120.500 0.158 0.000 2.328 398 R HA -0.051 4.289 4.340 0.001 0.000 0.207 398 R C -0.068 176.264 176.300 0.054 0.000 1.056 398 R CA 0.626 56.789 56.100 0.106 0.000 1.016 398 R CB 0.409 30.683 30.300 -0.042 0.000 0.872 398 R HN 0.458 nan 8.270 nan 0.000 0.471 399 D N -0.549 119.870 120.400 0.032 0.000 2.670 399 D HA 0.008 4.649 4.640 0.001 0.000 0.255 399 D C -0.405 175.675 176.300 -0.366 0.000 1.286 399 D CA -0.019 53.920 54.000 -0.102 0.000 0.830 399 D CB 0.188 40.963 40.800 -0.040 0.000 1.065 399 D HN 0.087 nan 8.370 nan 0.000 0.486 400 H N 1.234 120.186 119.070 -0.197 0.000 3.004 400 H HA -0.021 4.536 4.556 0.001 0.000 0.267 400 H C 0.877 176.177 175.328 -0.046 0.000 1.165 400 H CA -0.391 55.550 56.048 -0.178 0.000 1.450 400 H CB 0.091 29.840 29.762 -0.022 0.000 1.488 400 H HN -0.001 nan 8.280 nan 0.000 0.478 401 F N 3.852 123.698 119.950 -0.173 0.000 2.225 401 F HA -0.140 4.388 4.527 0.001 0.000 0.302 401 F C 2.148 178.000 175.800 0.087 0.000 1.068 401 F CA 1.679 59.663 58.000 -0.028 0.000 1.327 401 F CB -0.565 38.439 39.000 0.006 0.000 1.043 401 F HN 0.659 nan 8.300 nan 0.000 0.506 402 G N -0.695 108.270 108.800 0.275 0.000 2.776 402 G HA2 -0.164 3.796 3.960 0.001 0.000 0.209 402 G HA3 -0.164 3.796 3.960 0.001 0.000 0.209 402 G C 1.462 176.354 174.900 -0.014 0.000 1.145 402 G CA 0.173 45.334 45.100 0.101 0.000 0.791 402 G HN 0.364 nan 8.290 nan 0.000 0.530 403 K N -0.168 120.239 120.400 0.011 0.000 2.414 403 K HA 0.190 4.511 4.320 0.001 0.000 0.204 403 K C 0.227 176.803 176.600 -0.040 0.000 1.026 403 K CA -0.041 56.214 56.287 -0.054 0.000 1.108 403 K CB 0.674 33.162 32.500 -0.019 0.000 0.855 403 K HN 0.091 nan 8.250 nan 0.000 0.517 404 K N 1.208 121.594 120.400 -0.025 0.000 2.208 404 K HA 0.435 4.755 4.320 0.001 0.000 0.247 404 K C -0.231 176.309 176.600 -0.100 0.000 0.953 404 K CA -0.948 55.341 56.287 0.004 0.000 0.837 404 K CB 1.770 34.388 32.500 0.197 0.000 1.131 404 K HN -0.180 nan 8.250 nan 0.000 0.431 405 R N 1.465 121.928 120.500 -0.062 0.000 2.744 405 R HA 0.475 4.815 4.340 0.001 0.000 0.279 405 R C -0.689 175.587 176.300 -0.039 0.000 0.977 405 R CA -0.797 55.252 56.100 -0.084 0.000 0.906 405 R CB 1.170 31.419 30.300 -0.084 0.000 1.197 405 R HN 0.535 nan 8.270 nan 0.000 0.463 406 L N 3.074 124.270 121.223 -0.046 0.000 2.335 406 L HA 0.313 4.654 4.340 0.001 0.000 0.268 406 L C -0.370 176.487 176.870 -0.022 0.000 1.037 406 L CA -0.778 54.049 54.840 -0.022 0.000 0.895 406 L CB 1.176 43.225 42.059 -0.017 0.000 1.266 406 L HN 0.305 nan 8.230 nan 0.000 0.439 407 D N 3.401 123.788 120.400 -0.021 0.000 2.426 407 D HA 0.081 4.722 4.640 0.001 0.000 0.261 407 D C 0.240 176.526 176.300 -0.024 0.000 1.245 407 D CA 0.208 54.200 54.000 -0.013 0.000 0.917 407 D CB 1.789 42.579 40.800 -0.017 0.000 1.123 407 D HN 0.156 nan 8.370 nan 0.000 0.508 408 L N 2.108 123.332 121.223 0.002 0.000 2.744 408 L HA 0.341 4.682 4.340 0.001 0.000 0.218 408 L C 1.753 178.636 176.870 0.022 0.000 1.190 408 L CA -0.065 54.778 54.840 0.004 0.000 0.869 408 L CB -0.046 42.027 42.059 0.024 0.000 1.652 408 L HN 0.438 nan 8.230 nan 0.000 0.519 409 A N 0.298 123.149 122.820 0.053 0.000 2.007 409 A HA -0.242 4.079 4.320 0.001 0.000 0.214 409 A C 1.974 179.628 177.584 0.117 0.000 1.302 409 A CA 2.663 54.760 52.037 0.099 0.000 0.770 409 A CB -1.889 17.241 19.000 0.218 0.000 0.831 409 A HN 0.936 nan 8.150 nan 0.000 0.491 410 G N -0.336 108.578 108.800 0.190 0.000 2.529 410 G HA2 -0.200 3.761 3.960 0.001 0.000 0.219 410 G HA3 -0.200 3.761 3.960 0.001 0.000 0.219 410 G C -0.166 174.747 174.900 0.021 0.000 1.177 410 G CA 1.479 46.600 45.100 0.035 0.000 0.773 410 G HN 0.508 nan 8.290 nan 0.000 0.573 411 P HA -0.178 nan 4.420 nan 0.000 0.219 411 P C 2.083 179.473 177.300 0.149 0.000 1.158 411 P CA 1.044 64.228 63.100 0.140 0.000 0.895 411 P CB -0.158 31.597 31.700 0.092 0.000 0.792 412 L N -1.750 119.561 121.223 0.146 0.000 1.976 412 L HA -0.202 4.138 4.340 0.001 0.000 0.209 412 L C 2.529 179.639 176.870 0.399 0.000 1.071 412 L CA 1.528 56.566 54.840 0.330 0.000 0.746 412 L CB -1.208 41.013 42.059 0.271 0.000 0.890 412 L HN -0.048 nan 8.230 nan 0.000 0.432 413 L N -0.263 121.046 121.223 0.143 0.000 2.064 413 L HA -0.327 4.014 4.340 0.001 0.000 0.216 413 L C 2.890 179.719 176.870 -0.069 0.000 1.077 413 L CA 1.445 56.165 54.840 -0.200 0.000 0.766 413 L CB -1.030 40.569 42.059 -0.766 0.000 0.890 413 L HN 0.332 nan 8.230 nan 0.000 0.435 414 A N -0.394 122.498 122.820 0.121 0.000 1.869 414 A HA -0.366 3.954 4.320 0.001 0.000 0.218 414 A C 2.297 180.055 177.584 0.290 0.000 1.203 414 A CA 2.353 54.679 52.037 0.483 0.000 0.638 414 A CB -0.890 18.362 19.000 0.419 0.000 0.831 414 A HN 0.555 nan 8.150 nan 0.000 0.450 415 Q N -0.623 119.300 119.800 0.205 0.000 2.096 415 Q HA -0.235 4.106 4.340 0.001 0.000 0.208 415 Q C 2.092 178.136 176.000 0.074 0.000 0.993 415 Q CA 2.002 57.895 55.803 0.149 0.000 0.862 415 Q CB -0.263 28.596 28.738 0.203 0.000 0.915 415 Q HN 0.710 nan 8.270 nan 0.000 0.416 416 L N -0.464 120.752 121.223 -0.012 0.000 1.948 416 L HA -0.196 4.145 4.340 0.001 0.000 0.212 416 L C 2.391 179.300 176.870 0.065 0.000 1.074 416 L CA 1.422 56.189 54.840 -0.122 0.000 0.753 416 L CB -0.699 41.145 42.059 -0.359 0.000 0.888 416 L HN 0.290 nan 8.230 nan 0.000 0.432 417 F N 0.922 120.869 119.950 -0.004 0.000 2.111 417 F HA -0.343 4.184 4.527 0.000 0.000 0.300 417 F C 2.545 178.409 175.800 0.106 0.000 1.088 417 F CA 2.018 60.062 58.000 0.073 0.000 1.243 417 F CB -0.379 38.740 39.000 0.197 0.000 0.996 417 F HN -0.033 nan 8.300 nan 0.000 0.483 418 K N -0.744 119.712 120.400 0.095 0.000 1.973 418 K HA -0.149 4.172 4.320 0.001 0.000 0.212 418 K C 1.943 178.513 176.600 -0.051 0.000 1.047 418 K CA 2.106 58.384 56.287 -0.014 0.000 0.937 418 K CB -0.572 31.960 32.500 0.053 0.000 0.721 418 K HN 0.199 nan 8.250 nan 0.000 0.440 419 T N 1.724 116.266 114.554 -0.021 0.000 2.946 419 T HA -0.107 4.243 4.350 0.001 0.000 0.271 419 T C 1.614 176.272 174.700 -0.070 0.000 1.104 419 T CA 0.960 63.032 62.100 -0.046 0.000 1.114 419 T CB -0.032 68.818 68.868 -0.031 0.000 0.867 419 T HN 0.141 nan 8.240 nan 0.000 0.513 420 L N -0.718 120.473 121.223 -0.054 0.000 2.187 420 L HA 0.179 4.519 4.340 0.001 0.000 0.197 420 L C 2.197 179.029 176.870 -0.063 0.000 1.090 420 L CA 0.625 55.439 54.840 -0.043 0.000 0.781 420 L CB -0.624 41.447 42.059 0.020 0.000 0.956 420 L HN 0.125 nan 8.230 nan 0.000 0.463 421 F N 1.839 121.590 119.950 -0.330 0.000 2.085 421 F HA -0.304 4.223 4.527 0.000 0.000 0.299 421 F C 2.379 177.975 175.800 -0.340 0.000 1.096 421 F CA 1.773 59.495 58.000 -0.463 0.000 1.227 421 F CB -0.398 38.054 39.000 -0.913 0.000 0.983 421 F HN -0.083 nan 8.300 nan 0.000 0.482 422 K N 0.034 120.120 120.400 -0.524 0.000 2.148 422 K HA -0.200 4.120 4.320 0.001 0.000 0.204 422 K C 2.183 178.573 176.600 -0.350 0.000 1.050 422 K CA 1.426 57.379 56.287 -0.558 0.000 0.942 422 K CB -0.300 31.985 32.500 -0.358 0.000 0.724 422 K HN 0.287 nan 8.250 nan 0.000 0.446 423 K N 0.978 121.243 120.400 -0.224 0.000 2.283 423 K HA -0.122 4.198 4.320 0.001 0.000 0.202 423 K C 1.875 178.397 176.600 -0.131 0.000 1.048 423 K CA 0.694 56.892 56.287 -0.148 0.000 0.948 423 K CB 0.127 32.566 32.500 -0.101 0.000 0.742 423 K HN 0.018 nan 8.250 nan 0.000 0.458 424 L N 0.385 121.517 121.223 -0.151 0.000 2.298 424 L HA 0.061 4.401 4.340 0.001 0.000 0.209 424 L C 1.752 178.545 176.870 -0.128 0.000 1.084 424 L CA 1.513 56.297 54.840 -0.092 0.000 0.816 424 L CB -0.405 41.636 42.059 -0.030 0.000 0.967 424 L HN 0.006 nan 8.230 nan 0.000 0.460 425 T N 0.994 115.363 114.554 -0.309 0.000 2.720 425 T HA -0.202 4.148 4.350 0.001 0.000 0.268 425 T C 1.662 176.255 174.700 -0.178 0.000 1.037 425 T CA 1.988 63.890 62.100 -0.330 0.000 1.144 425 T CB -0.205 68.245 68.868 -0.697 0.000 0.864 425 T HN 0.508 nan 8.240 nan 0.000 0.444 426 K N 1.120 121.394 120.400 -0.211 0.000 2.217 426 K HA -0.030 4.290 4.320 0.001 0.000 0.202 426 K C 1.652 178.245 176.600 -0.012 0.000 1.051 426 K CA 1.097 57.275 56.287 -0.182 0.000 0.952 426 K CB -0.159 32.233 32.500 -0.180 0.000 0.736 426 K HN 0.224 nan 8.250 nan 0.000 0.453 427 D N 1.856 122.257 120.400 0.002 0.000 2.123 427 D HA -0.116 4.525 4.640 0.001 0.000 0.196 427 D C 1.971 178.356 176.300 0.140 0.000 0.992 427 D CA 1.137 55.174 54.000 0.062 0.000 0.833 427 D CB -0.153 40.665 40.800 0.030 0.000 0.954 427 D HN 0.256 nan 8.370 nan 0.000 0.455 428 I N 0.288 120.950 120.570 0.153 0.000 2.399 428 I HA -0.266 3.905 4.170 0.001 0.000 0.254 428 I C 2.146 178.462 176.117 0.331 0.000 1.146 428 I CA 0.590 62.023 61.300 0.222 0.000 1.412 428 I CB -0.273 37.870 38.000 0.237 0.000 1.076 428 I HN -0.113 nan 8.210 nan 0.000 0.432 429 F N 1.612 121.602 119.950 0.067 0.000 2.146 429 F HA -0.095 4.432 4.527 0.001 0.000 0.298 429 F C 2.555 178.392 175.800 0.062 0.000 1.096 429 F CA 1.334 59.364 58.000 0.049 0.000 1.275 429 F CB -0.500 38.508 39.000 0.014 0.000 1.008 429 F HN -0.046 nan 8.300 nan 0.000 0.480 430 R N -1.785 118.859 120.500 0.240 0.000 2.241 430 R HA -0.212 4.128 4.340 0.001 0.000 0.224 430 R C 1.811 178.192 176.300 0.136 0.000 1.101 430 R CA 1.206 57.393 56.100 0.145 0.000 0.995 430 R CB -0.670 29.708 30.300 0.129 0.000 0.870 430 R HN 0.351 nan 8.270 nan 0.000 0.463 431 Y N 0.734 121.061 120.300 0.046 0.000 2.301 431 Y HA 0.045 4.595 4.550 0.000 0.000 0.295 431 Y C 2.129 178.025 175.900 -0.005 0.000 1.119 431 Y CA 1.098 59.214 58.100 0.027 0.000 1.162 431 Y CB 0.190 38.677 38.460 0.046 0.000 1.046 431 Y HN -0.152 nan 8.280 nan 0.000 0.538 432 M N -0.604 119.031 119.600 0.058 0.000 2.248 432 M HA -0.142 4.338 4.480 0.001 0.000 0.265 432 M C 1.840 178.051 176.300 -0.150 0.000 1.079 432 M CA 1.348 56.608 55.300 -0.067 0.000 1.150 432 M CB -0.341 32.217 32.600 -0.071 0.000 1.366 432 M HN 0.129 nan 8.290 nan 0.000 0.433 433 Q N 0.362 120.061 119.800 -0.169 0.000 2.439 433 Q HA -0.105 4.235 4.340 0.001 0.000 0.211 433 Q C 1.643 177.576 176.000 -0.111 0.000 0.978 433 Q CA 0.948 56.653 55.803 -0.163 0.000 0.897 433 Q CB -0.026 28.627 28.738 -0.143 0.000 0.956 433 Q HN 0.511 nan 8.270 nan 0.000 0.483 434 R N -0.939 119.489 120.500 -0.120 0.000 2.279 434 R HA 0.091 4.431 4.340 0.001 0.000 0.195 434 R C 0.429 176.635 176.300 -0.157 0.000 0.905 434 R CA 0.163 56.191 56.100 -0.121 0.000 1.044 434 R CB 0.640 30.872 30.300 -0.114 0.000 1.056 434 R HN -0.083 nan 8.270 nan 0.000 0.535 435 T N 2.098 116.529 114.554 -0.204 0.000 3.416 435 T HA 0.013 4.363 4.350 0.001 0.000 0.247 435 T C 1.248 175.876 174.700 -0.119 0.000 0.973 435 T CA 0.089 62.070 62.100 -0.198 0.000 1.166 435 T CB 0.349 69.092 68.868 -0.210 0.000 1.040 435 T HN -0.062 nan 8.240 nan 0.000 0.746 436 V N 2.121 121.976 119.914 -0.098 0.000 3.186 436 V HA -0.085 4.035 4.120 0.001 0.000 0.270 436 V C 1.542 177.602 176.094 -0.056 0.000 1.149 436 V CA 1.153 63.413 62.300 -0.068 0.000 1.160 436 V CB -0.783 31.007 31.823 -0.055 0.000 0.758 436 V HN 0.752 nan 8.190 nan 0.000 0.516 447 A N 0.078 122.633 122.820 -0.440 0.000 3.410 447 A HA -0.159 4.161 4.320 0.001 0.000 0.253 447 A C 0.130 177.542 177.584 -0.286 0.000 1.178 447 A CA 1.402 53.011 52.037 -0.714 0.000 1.334 447 A CB -2.266 15.743 19.000 -1.652 0.000 1.097 447 A HN 0.560 nan 8.150 nan 0.000 0.921 448 I N 0.998 121.486 120.570 -0.137 0.000 2.460 448 I HA 0.193 4.363 4.170 0.001 0.000 0.277 448 I C 0.545 176.660 176.117 -0.004 0.000 1.057 448 I CA -0.467 60.810 61.300 -0.038 0.000 1.179 448 I CB 1.021 39.025 38.000 0.006 0.000 1.329 448 I HN 0.322 nan 8.210 nan 0.000 0.478 449 N N 4.804 123.503 118.700 -0.001 0.000 3.085 449 N HA 0.056 4.796 4.740 0.001 0.000 0.313 449 N C 1.546 177.072 175.510 0.027 0.000 1.277 449 N CA 0.605 53.666 53.050 0.019 0.000 1.150 449 N CB 0.276 38.774 38.487 0.018 0.000 1.437 449 N HN 0.711 nan 8.380 nan 0.000 0.558 450 A N 1.318 124.157 122.820 0.032 0.000 1.941 450 A HA -0.415 3.906 4.320 0.001 0.000 0.233 450 A C 2.120 179.723 177.584 0.031 0.000 1.649 450 A CA 2.223 54.269 52.037 0.015 0.000 0.726 450 A CB -1.064 17.981 19.000 0.076 0.000 0.843 450 A HN 0.677 nan 8.150 nan 0.000 0.511 451 K N -1.736 118.697 120.400 0.055 0.000 2.090 451 K HA -0.296 4.025 4.320 0.001 0.000 0.218 451 K C 2.043 178.664 176.600 0.035 0.000 1.055 451 K CA 2.509 58.827 56.287 0.051 0.000 0.941 451 K CB -0.692 31.836 32.500 0.046 0.000 0.722 451 K HN 0.658 nan 8.250 nan 0.000 0.458 452 T N 1.779 116.346 114.554 0.023 0.000 2.481 452 T HA -0.264 4.086 4.350 0.001 0.000 0.252 452 T C 1.883 176.594 174.700 0.018 0.000 1.242 452 T CA 2.454 64.560 62.100 0.011 0.000 1.170 452 T CB -0.493 68.378 68.868 0.004 0.000 0.860 452 T HN 0.272 nan 8.240 nan 0.000 0.422 453 I N 1.059 121.647 120.570 0.030 0.000 2.133 453 I HA -0.179 3.991 4.170 0.001 0.000 0.238 453 I C 2.780 178.926 176.117 0.047 0.000 1.074 453 I CA 1.529 62.864 61.300 0.058 0.000 1.342 453 I CB -1.551 36.507 38.000 0.096 0.000 1.053 453 I HN 0.311 nan 8.210 nan 0.000 0.404 454 T N 1.498 116.075 114.554 0.038 0.000 2.567 454 T HA -0.274 4.077 4.350 0.001 0.000 0.261 454 T C 2.029 176.761 174.700 0.053 0.000 1.123 454 T CA 2.645 64.777 62.100 0.052 0.000 1.166 454 T CB -0.698 68.217 68.868 0.078 0.000 0.860 454 T HN 0.492 nan 8.240 nan 0.000 0.436 455 S N 1.413 117.144 115.700 0.052 0.000 2.338 455 S HA 0.032 4.502 4.470 0.001 0.000 0.218 455 S C 2.469 177.103 174.600 0.057 0.000 1.032 455 S CA 0.997 59.233 58.200 0.059 0.000 0.999 455 S CB -1.475 61.762 63.200 0.061 0.000 0.905 455 S HN 0.669 nan 8.310 nan 0.000 0.439 456 G N 3.122 111.942 108.800 0.032 0.000 2.816 456 G HA2 -0.338 3.623 3.960 0.001 0.000 0.229 456 G HA3 -0.338 3.623 3.960 0.001 0.000 0.229 456 G C 1.325 176.216 174.900 -0.016 0.000 1.158 456 G CA 1.747 46.846 45.100 -0.001 0.000 0.761 456 G HN 0.468 nan 8.290 nan 0.000 0.636 457 L N -0.172 121.035 121.223 -0.027 0.000 1.976 457 L HA -0.100 4.240 4.340 0.001 0.000 0.209 457 L C 2.987 179.827 176.870 -0.051 0.000 1.071 457 L CA 1.882 56.672 54.840 -0.084 0.000 0.746 457 L CB -0.625 41.410 42.059 -0.040 0.000 0.890 457 L HN 0.226 nan 8.230 nan 0.000 0.432 458 K N -0.450 119.957 120.400 0.011 0.000 2.001 458 K HA -0.327 3.993 4.320 0.001 0.000 0.223 458 K C 2.094 178.703 176.600 0.015 0.000 1.055 458 K CA 2.467 58.767 56.287 0.021 0.000 0.965 458 K CB -0.809 31.715 32.500 0.040 0.000 0.730 458 K HN 0.130 nan 8.250 nan 0.000 0.449 459 Y N 0.996 121.272 120.300 -0.040 0.000 2.136 459 Y HA -0.428 4.122 4.550 0.000 0.000 0.271 459 Y C 2.112 177.994 175.900 -0.030 0.000 1.252 459 Y CA 2.173 60.254 58.100 -0.033 0.000 1.117 459 Y CB -0.489 37.946 38.460 -0.041 0.000 0.932 459 Y HN 0.248 nan 8.280 nan 0.000 0.512 460 A N -0.225 122.671 122.820 0.126 0.000 1.828 460 A HA -0.174 4.146 4.320 0.001 0.000 0.215 460 A C 1.963 179.612 177.584 0.108 0.000 1.203 460 A CA 1.871 53.941 52.037 0.054 0.000 0.614 460 A CB -1.265 17.451 19.000 -0.473 0.000 0.844 460 A HN 0.426 nan 8.150 nan 0.000 0.445 461 L N -0.192 121.049 121.223 0.030 0.000 2.351 461 L HA -0.173 4.168 4.340 0.001 0.000 0.220 461 L C 2.754 179.629 176.870 0.009 0.000 1.127 461 L CA 1.675 56.547 54.840 0.053 0.000 0.786 461 L CB -0.951 41.083 42.059 -0.041 0.000 0.914 461 L HN 0.463 nan 8.230 nan 0.000 0.443 462 A N -1.295 121.496 122.820 -0.049 0.000 1.878 462 A HA -0.088 4.233 4.320 0.001 0.000 0.213 462 A C 2.335 179.852 177.584 -0.111 0.000 1.192 462 A CA 1.706 53.688 52.037 -0.091 0.000 0.619 462 A CB -0.655 18.256 19.000 -0.148 0.000 0.837 462 A HN 0.467 nan 8.150 nan 0.000 0.446 463 T N -4.460 109.995 114.554 -0.166 0.000 2.967 463 T HA 0.443 4.793 4.350 0.001 0.000 0.238 463 T C 1.278 175.975 174.700 -0.004 0.000 1.024 463 T CA 1.304 63.328 62.100 -0.127 0.000 1.234 463 T CB -0.323 68.403 68.868 -0.237 0.000 0.931 463 T HN 1.662 nan 8.240 nan 0.000 0.417 464 G N 1.541 110.404 108.800 0.104 0.000 2.321 464 G HA2 -0.024 3.936 3.960 0.001 0.000 0.177 464 G HA3 -0.024 3.936 3.960 0.001 0.000 0.177 464 G C -0.663 174.378 174.900 0.235 0.000 1.072 464 G CA -0.539 44.661 45.100 0.167 0.000 0.768 464 G HN 0.683 nan 8.290 nan 0.000 0.481 465 N N 0.668 119.604 118.700 0.393 0.000 2.776 465 N HA 0.209 4.949 4.740 0.001 0.000 0.245 465 N C 0.007 175.823 175.510 0.511 0.000 1.121 465 N CA -0.831 52.448 53.050 0.382 0.000 0.852 465 N CB 0.860 39.544 38.487 0.329 0.000 1.142 465 N HN 0.362 nan 8.380 nan 0.000 0.514 466 W N 2.586 123.911 121.300 0.042 0.000 1.929 466 W HA 0.100 4.760 4.660 0.001 0.000 0.513 466 W C 0.508 177.042 176.519 0.024 0.000 0.800 466 W CA -0.261 57.101 57.345 0.028 0.000 2.023 466 W CB 0.126 29.590 29.460 0.006 0.000 1.670 466 W HN 0.642 nan 8.180 nan 0.000 0.257 467 G N 1.892 110.736 108.800 0.073 0.000 3.100 467 G HA2 0.033 3.993 3.960 0.001 0.000 0.233 467 G HA3 0.033 3.993 3.960 0.001 0.000 0.233 467 G C 0.079 174.928 174.900 -0.086 0.000 3.794 467 G CA -0.626 44.474 45.100 0.000 0.000 0.453 467 G HN 0.374 nan 8.290 nan 0.000 0.329 468 E N 0.462 120.557 120.200 -0.174 0.000 3.385 468 E HA -0.458 3.892 4.350 0.001 0.000 0.248 468 E C 1.998 178.249 176.600 -0.583 0.000 1.077 468 E CA 3.591 59.794 56.400 -0.328 0.000 1.827 468 E CB -0.325 29.236 29.700 -0.231 0.000 1.724 468 E HN 1.010 nan 8.360 nan 0.000 0.326 469 Q N -3.098 116.497 119.800 -0.342 0.000 6.070 469 Q HA 0.064 4.404 4.340 0.001 0.000 0.312 469 Q C 0.037 175.958 176.000 -0.132 0.000 0.804 469 Q CA 0.128 55.767 55.803 -0.273 0.000 0.725 469 Q CB 0.406 28.867 28.738 -0.461 0.000 0.651 469 Q HN 0.150 nan 8.270 nan 0.000 0.691 470 K N 0.646 120.965 120.400 -0.135 0.000 1.789 470 K HA -0.165 4.155 4.320 0.001 0.000 0.500 470 K C -0.524 176.048 176.600 -0.048 0.000 1.852 470 K CA 1.475 57.716 56.287 -0.077 0.000 0.769 470 K CB -1.039 31.426 32.500 -0.058 0.000 1.303 470 K HN 0.325 nan 8.250 nan 0.000 0.656 471 K N 1.416 121.799 120.400 -0.028 0.000 2.981 471 K HA 0.506 4.826 4.320 0.001 0.000 0.213 471 K C -0.591 176.007 176.600 -0.004 0.000 1.154 471 K CA 0.298 56.577 56.287 -0.013 0.000 1.111 471 K CB 1.199 33.693 32.500 -0.010 0.000 0.975 471 K HN 0.495 nan 8.250 nan 0.000 0.462 472 A N 0.607 123.425 122.820 -0.002 0.000 2.456 472 A HA 0.283 4.603 4.320 0.001 0.000 0.294 472 A C -0.915 176.679 177.584 0.016 0.000 1.057 472 A CA -0.974 51.067 52.037 0.007 0.000 0.623 472 A CB 0.256 19.258 19.000 0.003 0.000 1.338 472 A HN 0.382 nan 8.150 nan 0.000 0.464 473 M N 0.921 120.534 119.600 0.022 0.000 3.706 473 M HA 0.326 4.807 4.480 0.001 0.000 0.204 473 M C 0.451 176.770 176.300 0.032 0.000 1.455 473 M CA 0.556 55.876 55.300 0.034 0.000 1.659 473 M CB -0.516 32.103 32.600 0.031 0.000 1.076 473 M HN 0.723 nan 8.290 nan 0.000 0.577 474 S N -0.381 115.334 115.700 0.026 0.000 2.871 474 S HA 0.307 4.778 4.470 0.001 0.000 0.254 474 S C 0.208 174.835 174.600 0.046 0.000 1.088 474 S CA -0.088 58.126 58.200 0.023 0.000 1.166 474 S CB -0.964 62.238 63.200 0.003 0.000 0.826 474 S HN 0.778 nan 8.310 nan 0.000 0.471 475 S N 0.403 116.145 115.700 0.069 0.000 2.752 475 S HA 0.553 5.023 4.470 0.001 0.000 0.284 475 S C -0.754 173.905 174.600 0.100 0.000 1.189 475 S CA -1.350 56.918 58.200 0.114 0.000 0.835 475 S CB 0.861 64.161 63.200 0.166 0.000 1.192 475 S HN 0.319 nan 8.310 nan 0.000 0.506 476 R N 0.871 121.443 120.500 0.119 0.000 3.472 476 R HA 0.527 4.868 4.340 0.001 0.000 0.322 476 R C 0.100 176.419 176.300 0.032 0.000 1.330 476 R CA -0.252 55.878 56.100 0.050 0.000 1.387 476 R CB 0.367 30.669 30.300 0.003 0.000 1.446 476 R HN 0.783 nan 8.270 nan 0.000 0.628 477 A N 0.685 123.541 122.820 0.060 0.000 2.572 477 A HA 0.235 4.555 4.320 0.001 0.000 0.256 477 A C 1.282 178.861 177.584 -0.008 0.000 1.041 477 A CA 1.330 53.395 52.037 0.046 0.000 0.790 477 A CB -0.192 18.838 19.000 0.050 0.000 0.947 477 A HN 0.824 nan 8.150 nan 0.000 0.518 478 G N 1.491 110.267 108.800 -0.040 0.000 3.509 478 G HA2 0.095 4.056 3.960 0.001 0.000 0.220 478 G HA3 0.095 4.056 3.960 0.001 0.000 0.220 478 G C 0.149 174.975 174.900 -0.124 0.000 0.951 478 G CA 0.101 45.160 45.100 -0.069 0.000 0.844 478 G HN 1.130 nan 8.290 nan 0.000 0.568 479 V N 1.213 121.003 119.914 -0.206 0.000 3.441 479 V HA 0.669 4.789 4.120 0.001 0.000 0.300 479 V C 1.563 177.505 176.094 -0.253 0.000 1.062 479 V CA 0.400 62.479 62.300 -0.369 0.000 1.064 479 V CB 1.184 32.492 31.823 -0.859 0.000 1.197 479 V HN 1.625 nan 8.190 nan 0.000 0.451 480 S N 0.729 116.263 115.700 -0.278 0.000 3.552 480 S HA -0.180 4.290 4.470 0.001 0.000 0.351 480 S C 0.078 174.642 174.600 -0.059 0.000 0.819 480 S CA 1.057 59.178 58.200 -0.131 0.000 1.345 480 S CB -0.611 62.575 63.200 -0.023 0.000 1.425 480 S HN 0.797 nan 8.310 nan 0.000 0.546 481 Q N 2.006 121.788 119.800 -0.030 0.000 2.997 481 Q HA 0.734 5.074 4.340 0.001 0.000 0.195 481 Q C 0.056 176.062 176.000 0.011 0.000 1.138 481 Q CA -0.386 55.428 55.803 0.020 0.000 0.552 481 Q CB 0.636 29.444 28.738 0.116 0.000 4.881 481 Q HN 0.991 nan 8.270 nan 0.000 0.330 482 V N 0.012 119.958 119.914 0.054 0.000 2.501 482 V HA 0.278 4.399 4.120 0.001 0.000 0.277 482 V C -0.556 175.518 176.094 -0.034 0.000 1.004 482 V CA -1.045 61.240 62.300 -0.026 0.000 0.862 482 V CB 0.729 32.521 31.823 -0.051 0.000 1.035 482 V HN 0.538 nan 8.190 nan 0.000 0.448 483 L N 3.600 124.726 121.223 -0.161 0.000 3.174 483 L HA -0.069 4.272 4.340 0.001 0.000 0.362 483 L C 0.408 177.136 176.870 -0.236 0.000 1.188 483 L CA 1.399 56.085 54.840 -0.257 0.000 0.810 483 L CB -0.353 41.411 42.059 -0.491 0.000 1.129 483 L HN 0.886 nan 8.230 nan 0.000 0.615 484 N N 3.605 122.211 118.700 -0.157 0.000 2.518 484 N HA 0.370 5.110 4.740 0.001 0.000 0.266 484 N C -0.098 175.036 175.510 -0.627 0.000 1.196 484 N CA -0.054 52.651 53.050 -0.574 0.000 0.947 484 N CB 0.538 38.723 38.487 -0.503 0.000 1.098 484 N HN 0.386 nan 8.380 nan 0.000 0.450 485 R N 1.402 121.392 120.500 -0.849 0.000 2.711 485 R HA 0.267 4.607 4.340 0.001 0.000 0.350 485 R C -0.258 175.737 176.300 -0.508 0.000 1.146 485 R CA -0.149 55.483 56.100 -0.779 0.000 1.190 485 R CB -0.258 29.417 30.300 -1.042 0.000 1.312 485 R HN 0.734 nan 8.270 nan 0.000 0.635 486 Y N -2.131 118.086 120.300 -0.139 0.000 2.266 486 Y HA 0.282 4.832 4.550 0.001 0.000 0.294 486 Y C 0.847 176.818 175.900 0.119 0.000 1.127 486 Y CA 0.061 58.153 58.100 -0.013 0.000 1.140 486 Y CB 0.757 39.197 38.460 -0.033 0.000 1.071 486 Y HN -0.122 nan 8.280 nan 0.000 0.525 487 T N -1.949 112.771 114.554 0.278 0.000 2.838 487 T HA 0.125 4.475 4.350 0.001 0.000 0.292 487 T C -0.342 174.506 174.700 0.247 0.000 1.113 487 T CA -0.629 61.628 62.100 0.261 0.000 1.008 487 T CB 1.629 70.640 68.868 0.238 0.000 1.259 487 T HN 0.019 nan 8.240 nan 0.000 0.520 488 Y N 1.959 122.341 120.300 0.137 0.000 2.109 488 Y HA -0.146 4.405 4.550 0.000 0.000 0.285 488 Y C 2.825 178.801 175.900 0.125 0.000 1.131 488 Y CA 2.626 60.800 58.100 0.123 0.000 1.121 488 Y CB -0.655 37.867 38.460 0.102 0.000 0.987 488 Y HN 0.714 nan 8.280 nan 0.000 0.495 489 S N -0.904 114.964 115.700 0.281 0.000 2.374 489 S HA -0.316 4.154 4.470 0.001 0.000 0.227 489 S C 2.319 176.952 174.600 0.054 0.000 1.037 489 S CA 1.609 59.911 58.200 0.170 0.000 1.024 489 S CB -1.462 61.904 63.200 0.276 0.000 0.861 489 S HN 0.571 nan 8.310 nan 0.000 0.456 490 S N 1.877 117.636 115.700 0.098 0.000 2.368 490 S HA -0.213 4.258 4.470 0.001 0.000 0.226 490 S C 1.961 176.546 174.600 -0.025 0.000 1.044 490 S CA 2.264 60.505 58.200 0.069 0.000 1.062 490 S CB -1.498 61.788 63.200 0.143 0.000 0.931 490 S HN 0.709 nan 8.310 nan 0.000 0.440 491 T N 2.639 117.134 114.554 -0.098 0.000 2.833 491 T HA 0.055 4.405 4.350 0.001 0.000 0.269 491 T C 1.746 176.341 174.700 -0.175 0.000 1.054 491 T CA 1.408 63.401 62.100 -0.179 0.000 1.135 491 T CB -0.328 68.390 68.868 -0.250 0.000 0.869 491 T HN 0.324 nan 8.240 nan 0.000 0.466 492 L N 0.565 121.664 121.223 -0.207 0.000 1.973 492 L HA -0.070 4.270 4.340 0.001 0.000 0.208 492 L C 2.864 179.689 176.870 -0.075 0.000 1.073 492 L CA 1.141 55.878 54.840 -0.171 0.000 0.746 492 L CB -0.945 41.009 42.059 -0.176 0.000 0.891 492 L HN 0.238 nan 8.230 nan 0.000 0.433 493 S N -1.199 114.475 115.700 -0.042 0.000 2.421 493 S HA -0.356 4.114 4.470 0.001 0.000 0.239 493 S C 1.970 176.591 174.600 0.034 0.000 1.054 493 S CA 2.073 60.267 58.200 -0.011 0.000 1.035 493 S CB -0.522 62.675 63.200 -0.005 0.000 0.840 493 S HN 0.541 nan 8.310 nan 0.000 0.475 494 H N -0.457 118.557 119.070 -0.095 0.000 2.372 494 H HA 0.108 4.664 4.556 0.001 0.000 0.301 494 H C 2.206 177.482 175.328 -0.087 0.000 1.065 494 H CA 1.158 57.147 56.048 -0.098 0.000 1.364 494 H CB -0.130 29.551 29.762 -0.135 0.000 1.406 494 H HN 0.353 nan 8.280 nan 0.000 0.521 495 L N 0.986 122.151 121.223 -0.096 0.000 2.127 495 L HA -0.168 4.173 4.340 0.001 0.000 0.211 495 L C 0.924 177.754 176.870 -0.067 0.000 1.089 495 L CA 1.299 56.053 54.840 -0.143 0.000 0.757 495 L CB -0.047 41.946 42.059 -0.110 0.000 0.899 495 L HN 0.366 nan 8.230 nan 0.000 0.434 496 R N 0.115 120.595 120.500 -0.033 0.000 2.790 496 R HA 0.436 4.776 4.340 0.001 0.000 0.274 496 R C -0.223 176.072 176.300 -0.008 0.000 1.334 496 R CA -0.359 55.728 56.100 -0.023 0.000 1.543 496 R CB 0.468 30.753 30.300 -0.025 0.000 1.154 496 R HN 0.074 nan 8.270 nan 0.000 0.601 497 R N 0.655 121.158 120.500 0.006 0.000 2.867 497 R HA 0.471 4.812 4.340 0.001 0.000 0.268 497 R C -1.269 175.027 176.300 -0.007 0.000 1.014 497 R CA -0.597 55.509 56.100 0.010 0.000 0.946 497 R CB 2.650 32.990 30.300 0.067 0.000 1.208 497 R HN 0.289 nan 8.270 nan 0.000 0.477 498 T N 1.925 116.466 114.554 -0.022 0.000 2.949 498 T HA 0.221 4.571 4.350 0.001 0.000 0.300 498 T C -1.410 173.268 174.700 -0.038 0.000 0.988 498 T CA -0.592 61.492 62.100 -0.026 0.000 0.993 498 T CB 1.002 69.863 68.868 -0.012 0.000 0.984 498 T HN 0.558 nan 8.240 nan 0.000 0.442 499 N N 2.040 120.714 118.700 -0.044 0.000 2.426 499 N HA 0.427 5.168 4.740 0.001 0.000 0.275 499 N C -0.920 174.564 175.510 -0.043 0.000 1.019 499 N CA -0.168 52.852 53.050 -0.051 0.000 0.941 499 N CB 0.896 39.344 38.487 -0.066 0.000 1.123 499 N HN 0.374 nan 8.380 nan 0.000 0.486 500 T N 5.637 120.169 114.554 -0.036 0.000 2.864 500 T HA 0.377 4.727 4.350 0.001 0.000 0.310 500 T C -2.403 172.281 174.700 -0.027 0.000 1.040 500 T CA -1.040 61.046 62.100 -0.024 0.000 0.977 500 T CB 1.356 70.216 68.868 -0.013 0.000 0.976 500 T HN 0.501 nan 8.240 nan 0.000 0.459 501 P HA 0.119 nan 4.420 nan 0.000 0.271 501 P C -0.783 176.503 177.300 -0.024 0.000 1.228 501 P CA -0.200 62.884 63.100 -0.027 0.000 0.797 501 P CB 0.518 32.203 31.700 -0.025 0.000 0.914 502 I N -2.674 117.881 120.570 -0.024 0.000 3.239 502 I HA 0.523 4.693 4.170 0.001 0.000 0.314 502 I C 1.703 177.805 176.117 -0.025 0.000 1.126 502 I CA -0.853 60.432 61.300 -0.025 0.000 0.973 502 I CB -0.004 37.981 38.000 -0.025 0.000 1.252 502 I HN 0.415 nan 8.210 nan 0.000 0.463 503 G N 0.083 108.866 108.800 -0.029 0.000 2.552 503 G HA2 -0.043 3.917 3.960 0.001 0.000 0.216 503 G HA3 -0.043 3.917 3.960 0.001 0.000 0.216 503 G C 1.307 176.192 174.900 -0.024 0.000 1.240 503 G CA 1.204 46.286 45.100 -0.030 0.000 0.796 503 G HN 0.624 nan 8.290 nan 0.000 0.568 504 R N -2.235 118.251 120.500 -0.023 0.000 3.730 504 R HA 0.110 4.451 4.340 0.001 0.000 0.089 504 R C -0.777 175.511 176.300 -0.019 0.000 0.744 504 R CA -0.074 56.014 56.100 -0.019 0.000 1.870 504 R CB 0.685 30.974 30.300 -0.018 0.000 1.596 504 R HN 0.229 nan 8.270 nan 0.000 0.447 505 D N 0.215 120.603 120.400 -0.021 0.000 2.342 505 D HA 0.239 4.879 4.640 0.001 0.000 0.243 505 D C -0.335 175.952 176.300 -0.022 0.000 1.019 505 D CA -0.260 53.728 54.000 -0.020 0.000 0.864 505 D CB 1.816 42.605 40.800 -0.019 0.000 1.315 505 D HN 0.246 nan 8.370 nan 0.000 0.468 506 G N 2.071 110.858 108.800 -0.021 0.000 2.775 506 G HA2 -0.227 3.733 3.960 0.001 0.000 0.298 506 G HA3 -0.227 3.733 3.960 0.001 0.000 0.298 506 G C 0.475 175.360 174.900 -0.024 0.000 0.415 506 G CA 0.293 45.380 45.100 -0.022 0.000 1.178 506 G HN 0.178 nan 8.290 nan 0.000 0.205 507 K N 2.533 122.917 120.400 -0.026 0.000 2.081 507 K HA 0.011 4.332 4.320 0.001 0.000 0.230 507 K C 0.651 177.234 176.600 -0.027 0.000 1.199 507 K CA -0.529 55.741 56.287 -0.029 0.000 1.130 507 K CB 0.402 32.883 32.500 -0.032 0.000 1.386 507 K HN 0.444 nan 8.250 nan 0.000 0.280 508 L N 2.101 123.309 121.223 -0.026 0.000 2.617 508 L HA 0.133 4.473 4.340 0.001 0.000 0.282 508 L C 0.301 177.156 176.870 -0.024 0.000 1.174 508 L CA 0.750 55.576 54.840 -0.023 0.000 1.016 508 L CB -0.616 41.430 42.059 -0.021 0.000 1.337 508 L HN 0.704 nan 8.230 nan 0.000 0.460 509 A N 3.364 126.170 122.820 -0.023 0.000 3.564 509 A HA 0.039 4.360 4.320 0.001 0.000 0.067 509 A C 0.960 178.534 177.584 -0.017 0.000 1.306 509 A CA 0.019 52.043 52.037 -0.023 0.000 1.272 509 A CB -0.504 18.479 19.000 -0.028 0.000 0.999 509 A HN 0.487 nan 8.150 nan 0.000 0.464 510 K N 0.725 121.113 120.400 -0.020 0.000 1.984 510 K HA -0.239 4.081 4.320 0.001 0.000 0.232 510 K C -0.941 175.661 176.600 0.003 0.000 1.016 510 K CA 2.220 58.501 56.287 -0.009 0.000 1.010 510 K CB -2.246 30.239 32.500 -0.026 0.000 0.739 510 K HN 0.430 nan 8.250 nan 0.000 0.450 511 P HA -0.191 nan 4.420 nan 0.000 0.215 511 P C 0.705 178.011 177.300 0.011 0.000 0.941 511 P CA 1.523 64.624 63.100 0.001 0.000 0.989 511 P CB -0.194 31.498 31.700 -0.013 0.000 0.613 512 R N -1.245 119.251 120.500 -0.005 0.000 2.395 512 R HA -0.234 4.106 4.340 0.001 0.000 0.270 512 R C 1.105 177.404 176.300 -0.001 0.000 1.145 512 R CA 1.211 57.305 56.100 -0.011 0.000 1.011 512 R CB -1.021 29.268 30.300 -0.019 0.000 0.875 512 R HN 0.425 nan 8.270 nan 0.000 0.494 513 Q N 0.246 120.053 119.800 0.012 0.000 2.443 513 Q HA 0.218 4.559 4.340 0.001 0.000 0.232 513 Q C -0.748 175.290 176.000 0.064 0.000 1.026 513 Q CA -0.166 55.647 55.803 0.018 0.000 0.924 513 Q CB 0.628 29.368 28.738 0.004 0.000 1.256 513 Q HN 0.053 nan 8.270 nan 0.000 0.519 514 L N 1.880 123.140 121.223 0.061 0.000 2.257 514 L HA 0.332 4.672 4.340 0.001 0.000 0.290 514 L C -1.001 175.941 176.870 0.119 0.000 1.044 514 L CA 0.005 54.933 54.840 0.146 0.000 0.810 514 L CB 0.457 42.561 42.059 0.075 0.000 1.193 514 L HN 0.683 nan 8.230 nan 0.000 0.425 515 H N 2.945 122.031 119.070 0.026 0.000 2.499 515 H HA 0.382 4.938 4.556 0.001 0.000 0.352 515 H C 0.896 176.148 175.328 -0.128 0.000 1.237 515 H CA 0.411 56.308 56.048 -0.250 0.000 1.343 515 H CB 1.075 30.435 29.762 -0.670 0.000 1.578 515 H HN 0.804 nan 8.280 nan 0.000 0.577 516 N N -0.438 118.160 118.700 -0.171 0.000 2.080 516 N HA -0.164 4.576 4.740 0.001 0.000 0.189 516 N C 1.437 177.098 175.510 0.251 0.000 1.036 516 N CA 1.444 54.519 53.050 0.041 0.000 0.846 516 N CB -0.112 38.315 38.487 -0.100 0.000 1.015 516 N HN 0.710 nan 8.380 nan 0.000 0.423 517 T N -0.941 113.861 114.554 0.412 0.000 3.026 517 T HA -0.154 4.197 4.350 0.001 0.000 0.271 517 T C 1.267 176.144 174.700 0.294 0.000 1.149 517 T CA 1.105 63.321 62.100 0.193 0.000 1.088 517 T CB -0.370 68.454 68.868 -0.073 0.000 0.857 517 T HN 0.265 nan 8.240 nan 0.000 0.551 518 H N -0.758 118.442 119.070 0.216 0.000 2.482 518 H HA 0.161 4.717 4.556 0.001 0.000 0.286 518 H C 0.992 176.421 175.328 0.168 0.000 1.017 518 H CA -0.363 55.739 56.048 0.091 0.000 1.322 518 H CB -0.561 29.169 29.762 -0.053 0.000 1.426 518 H HN 0.564 nan 8.280 nan 0.000 0.546 519 W N 2.510 123.912 121.300 0.170 0.000 2.480 519 W HA 0.004 4.664 4.660 0.001 0.000 0.337 519 W C 1.123 177.698 176.519 0.092 0.000 1.201 519 W CA 2.103 59.507 57.345 0.097 0.000 1.309 519 W CB 0.069 29.564 29.460 0.057 0.000 1.168 519 W HN 0.559 nan 8.180 nan 0.000 0.566 520 G N 3.875 112.230 108.800 -0.743 0.000 2.412 520 G HA2 -0.378 3.582 3.960 0.001 0.000 0.252 520 G HA3 -0.378 3.582 3.960 0.001 0.000 0.252 520 G C 0.925 175.723 174.900 -0.169 0.000 1.038 520 G CA 0.822 45.629 45.100 -0.488 0.000 0.628 520 G HN 0.568 nan 8.290 nan 0.000 0.531 521 L N -0.185 121.033 121.223 -0.009 0.000 2.187 521 L HA 0.297 4.638 4.340 0.001 0.000 0.197 521 L C 1.511 178.395 176.870 0.023 0.000 1.090 521 L CA 0.803 55.686 54.840 0.070 0.000 0.781 521 L CB -0.556 41.686 42.059 0.305 0.000 0.956 521 L HN 0.166 nan 8.230 nan 0.000 0.463 522 V N -0.560 119.356 119.914 0.002 0.000 2.837 522 V HA 0.138 4.258 4.120 0.001 0.000 0.310 522 V C -0.012 175.994 176.094 -0.146 0.000 1.059 522 V CA -1.121 61.106 62.300 -0.121 0.000 1.004 522 V CB 2.258 33.872 31.823 -0.347 0.000 1.045 522 V HN 0.349 nan 8.190 nan 0.000 0.465 523 C N 6.092 125.307 119.300 -0.141 0.000 2.593 523 C HA 0.357 4.817 4.460 0.001 0.000 0.409 523 C C -0.151 174.764 174.990 -0.125 0.000 1.304 523 C CA -0.983 57.959 59.018 -0.126 0.000 2.007 523 C CB 0.484 28.163 27.740 -0.102 0.000 2.614 523 C HN 0.865 nan 8.230 nan 0.000 0.585 524 P HA 0.023 nan 4.420 nan 0.000 0.220 524 P C 0.868 178.133 177.300 -0.058 0.000 1.152 524 P CA 1.847 64.912 63.100 -0.059 0.000 0.812 524 P CB 0.188 31.877 31.700 -0.018 0.000 0.792 525 A N 0.116 122.897 122.820 -0.065 0.000 2.035 525 A HA 0.046 4.366 4.320 0.001 0.000 0.208 525 A C 1.425 178.955 177.584 -0.090 0.000 1.206 525 A CA -0.020 51.974 52.037 -0.072 0.000 0.773 525 A CB -0.658 18.308 19.000 -0.058 0.000 0.878 525 A HN 0.174 nan 8.150 nan 0.000 0.469 526 E N 1.320 121.468 120.200 -0.086 0.000 1.858 526 E HA 0.300 4.650 4.350 0.001 0.000 0.267 526 E C -0.623 175.923 176.600 -0.089 0.000 1.215 526 E CA 0.083 56.433 56.400 -0.084 0.000 0.952 526 E CB -0.095 29.562 29.700 -0.072 0.000 1.058 526 E HN 0.231 nan 8.360 nan 0.000 0.407 527 T N 3.936 118.435 114.554 -0.091 0.000 2.894 527 T HA 0.417 4.768 4.350 0.001 0.000 0.309 527 T C -2.777 171.877 174.700 -0.077 0.000 1.208 527 T CA -1.790 60.258 62.100 -0.087 0.000 1.016 527 T CB 1.596 70.408 68.868 -0.093 0.000 1.192 527 T HN 0.278 nan 8.240 nan 0.000 0.491 528 P HA 0.215 nan 4.420 nan 0.000 0.271 528 P C -0.549 176.726 177.300 -0.042 0.000 1.220 528 P CA -0.145 62.926 63.100 -0.048 0.000 0.768 528 P CB 0.477 32.150 31.700 -0.045 0.000 0.848 529 E N 1.856 122.042 120.200 -0.024 0.000 2.376 529 E HA 0.308 4.658 4.350 0.001 0.000 0.266 529 E C 1.089 177.687 176.600 -0.003 0.000 1.009 529 E CA 0.258 56.652 56.400 -0.010 0.000 0.902 529 E CB 0.182 29.909 29.700 0.045 0.000 0.972 529 E HN 0.766 nan 8.360 nan 0.000 0.439 530 G N 2.721 111.516 108.800 -0.008 0.000 2.749 530 G HA2 -0.403 3.557 3.960 0.001 0.000 0.242 530 G HA3 -0.403 3.557 3.960 0.001 0.000 0.242 530 G C 0.464 175.355 174.900 -0.015 0.000 1.364 530 G CA 0.377 45.473 45.100 -0.007 0.000 0.888 530 G HN 0.907 nan 8.290 nan 0.000 0.566 531 Q N -2.739 117.053 119.800 -0.014 0.000 2.341 531 Q HA -0.321 4.019 4.340 0.001 0.000 0.431 531 Q C 1.670 177.656 176.000 -0.024 0.000 0.591 531 Q CA 2.538 58.330 55.803 -0.018 0.000 0.966 531 Q CB -1.781 26.947 28.738 -0.017 0.000 2.454 531 Q HN 2.569 nan 8.270 nan 0.000 0.956 532 A N 0.957 123.760 122.820 -0.028 0.000 2.958 532 A HA 0.362 4.682 4.320 0.001 0.000 0.247 532 A C 0.371 177.932 177.584 -0.039 0.000 1.679 532 A CA 0.236 52.253 52.037 -0.034 0.000 1.345 532 A CB -0.854 18.123 19.000 -0.037 0.000 1.013 532 A HN 0.514 nan 8.150 nan 0.000 0.641 533 C N 0.233 119.512 119.300 -0.036 0.000 2.576 533 C HA 0.500 4.960 4.460 0.001 0.000 0.401 533 C C 1.823 176.786 174.990 -0.046 0.000 1.314 533 C CA 1.092 60.084 59.018 -0.043 0.000 1.855 533 C CB -1.182 26.535 27.740 -0.038 0.000 2.537 533 C HN 1.688 nan 8.230 nan 0.000 0.578 534 G N 4.756 113.521 108.800 -0.059 0.000 2.220 534 G HA2 -0.275 3.685 3.960 0.001 0.000 0.269 534 G HA3 -0.275 3.685 3.960 0.001 0.000 0.269 534 G C 0.623 175.486 174.900 -0.062 0.000 0.977 534 G CA 0.805 45.867 45.100 -0.062 0.000 0.634 534 G HN 0.756 nan 8.290 nan 0.000 0.539 535 L N -0.324 120.867 121.223 -0.054 0.000 2.249 535 L HA 0.267 4.608 4.340 0.001 0.000 0.207 535 L C 1.037 177.872 176.870 -0.057 0.000 1.090 535 L CA 0.519 55.331 54.840 -0.048 0.000 0.802 535 L CB 0.244 42.279 42.059 -0.039 0.000 0.947 535 L HN 0.149 nan 8.230 nan 0.000 0.453 536 V N 0.911 120.786 119.914 -0.064 0.000 2.398 536 V HA 0.257 4.378 4.120 0.001 0.000 0.286 536 V C -0.281 175.762 176.094 -0.086 0.000 1.026 536 V CA -0.585 61.675 62.300 -0.067 0.000 0.868 536 V CB 1.524 33.310 31.823 -0.061 0.000 0.982 536 V HN 0.143 nan 8.190 nan 0.000 0.443 537 K N 3.433 123.778 120.400 -0.092 0.000 2.340 537 K HA 0.553 4.874 4.320 0.001 0.000 0.244 537 K C -0.817 175.729 176.600 -0.089 0.000 0.973 537 K CA -0.915 55.299 56.287 -0.122 0.000 0.828 537 K CB 1.722 34.106 32.500 -0.194 0.000 1.226 537 K HN 0.498 nan 8.250 nan 0.000 0.437 538 N N 1.965 120.607 118.700 -0.098 0.000 2.392 538 N HA 0.284 5.024 4.740 0.001 0.000 0.283 538 N C -1.021 174.444 175.510 -0.074 0.000 1.003 538 N CA -0.588 52.420 53.050 -0.070 0.000 0.892 538 N CB 1.192 39.640 38.487 -0.065 0.000 1.193 538 N HN 0.266 nan 8.380 nan 0.000 0.487 539 L N 1.196 122.389 121.223 -0.050 0.000 2.426 539 L HA 0.193 4.534 4.340 0.001 0.000 0.271 539 L C 1.442 178.280 176.870 -0.053 0.000 1.169 539 L CA 0.149 54.963 54.840 -0.043 0.000 0.836 539 L CB 0.112 42.152 42.059 -0.031 0.000 1.112 539 L HN 0.373 nan 8.230 nan 0.000 0.465 540 S N 1.380 117.040 115.700 -0.067 0.000 2.641 540 S HA 0.184 4.654 4.470 0.001 0.000 0.251 540 S C 1.389 175.965 174.600 -0.040 0.000 1.332 540 S CA -0.439 57.713 58.200 -0.079 0.000 0.968 540 S CB 0.281 63.406 63.200 -0.126 0.000 0.987 540 S HN 0.499 nan 8.310 nan 0.000 0.587 541 L N 0.229 121.441 121.223 -0.019 0.000 2.062 541 L HA -0.063 4.278 4.340 0.001 0.000 0.202 541 L C 2.603 179.514 176.870 0.069 0.000 1.079 541 L CA 0.769 55.666 54.840 0.095 0.000 0.755 541 L CB -0.502 41.664 42.059 0.178 0.000 0.913 541 L HN 0.534 nan 8.230 nan 0.000 0.445 542 M N 0.510 120.019 119.600 -0.152 0.000 2.089 542 M HA -0.132 4.349 4.480 0.001 0.000 0.257 542 M C 1.535 177.676 176.300 -0.266 0.000 1.071 542 M CA 1.157 56.177 55.300 -0.468 0.000 1.096 542 M CB -1.600 30.681 32.600 -0.532 0.000 1.330 542 M HN 0.401 nan 8.290 nan 0.000 0.403 543 S N -0.179 115.402 115.700 -0.198 0.000 2.525 543 S HA 0.073 4.544 4.470 0.001 0.000 0.282 543 S C 0.268 174.699 174.600 -0.281 0.000 1.324 543 S CA -0.504 57.554 58.200 -0.237 0.000 1.025 543 S CB 0.154 63.256 63.200 -0.164 0.000 0.820 543 S HN 0.507 nan 8.310 nan 0.000 0.514 544 C N 0.899 119.849 119.300 -0.583 0.000 3.336 544 C HA 0.673 5.133 4.460 0.001 0.000 0.339 544 C C -0.562 173.980 174.990 -0.747 0.000 1.468 544 C CA -0.931 57.723 59.018 -0.607 0.000 1.287 544 C CB 0.944 28.275 27.740 -0.681 0.000 1.682 544 C HN 0.930 nan 8.230 nan 0.000 0.451 545 I N 1.585 121.918 120.570 -0.396 0.000 2.569 545 I HA 0.370 4.541 4.170 0.001 0.000 0.296 545 I C 0.225 176.442 176.117 0.166 0.000 1.028 545 I CA -0.045 61.169 61.300 -0.143 0.000 1.082 545 I CB 2.083 40.041 38.000 -0.069 0.000 1.264 545 I HN 0.788 nan 8.210 nan 0.000 0.429 546 S N 4.025 119.917 115.700 0.319 0.000 2.525 546 S HA 0.059 4.529 4.470 0.001 0.000 0.285 546 S C 0.677 175.353 174.600 0.125 0.000 1.283 546 S CA -0.517 57.846 58.200 0.272 0.000 1.072 546 S CB 1.437 64.732 63.200 0.159 0.000 0.867 546 S HN 0.574 nan 8.310 nan 0.000 0.492 547 V N 3.813 123.788 119.914 0.102 0.000 2.346 547 V HA 0.452 4.573 4.120 0.001 0.000 0.244 547 V C 1.082 177.179 176.094 0.005 0.000 1.037 547 V CA 1.869 64.192 62.300 0.038 0.000 1.029 547 V CB -0.595 31.234 31.823 0.010 0.000 0.663 547 V HN 1.702 nan 8.190 nan 0.000 0.454 548 G N -0.237 108.565 108.800 0.003 0.000 2.873 548 G HA2 0.207 4.167 3.960 0.001 0.000 0.507 548 G HA3 0.207 4.167 3.960 0.001 0.000 0.507 548 G C -0.564 174.328 174.900 -0.012 0.000 1.440 548 G CA -0.181 44.917 45.100 -0.003 0.000 1.016 548 G HN 0.533 nan 8.290 nan 0.000 0.615 549 T N 1.412 115.976 114.554 0.017 0.000 2.919 549 T HA 0.717 5.067 4.350 0.001 0.000 0.282 549 T C -0.715 174.013 174.700 0.047 0.000 1.020 549 T CA -0.675 61.443 62.100 0.030 0.000 0.994 549 T CB 2.103 70.986 68.868 0.025 0.000 1.180 549 T HN 0.579 nan 8.240 nan 0.000 0.566 550 D N 0.833 121.267 120.400 0.056 0.000 2.192 550 D HA 0.296 4.936 4.640 0.001 0.000 0.246 550 D C -1.482 174.847 176.300 0.048 0.000 1.042 550 D CA -2.325 51.710 54.000 0.058 0.000 0.847 550 D CB 2.173 43.013 40.800 0.067 0.000 1.186 550 D HN 0.086 nan 8.370 nan 0.000 0.461 551 P HA -0.116 nan 4.420 nan 0.000 0.215 551 P C 1.866 179.176 177.300 0.017 0.000 1.157 551 P CA 0.919 64.044 63.100 0.041 0.000 0.859 551 P CB 0.432 32.174 31.700 0.070 0.000 0.786 552 M N 0.701 120.313 119.600 0.020 0.000 2.270 552 M HA -0.172 4.308 4.480 0.001 0.000 0.254 552 M C -0.308 176.016 176.300 0.040 0.000 1.072 552 M CA 3.436 58.746 55.300 0.018 0.000 1.077 552 M CB -2.782 29.835 32.600 0.029 0.000 1.288 552 M HN 0.052 nan 8.290 nan 0.000 0.424 553 P HA -0.105 nan 4.420 nan 0.000 0.229 553 P C 1.045 178.433 177.300 0.146 0.000 1.150 553 P CA 1.538 64.702 63.100 0.107 0.000 0.765 553 P CB -0.158 31.596 31.700 0.091 0.000 0.783 554 I N -2.109 118.500 120.570 0.065 0.000 3.718 554 I HA 0.037 4.208 4.170 0.001 0.000 0.297 554 I C 2.561 178.695 176.117 0.029 0.000 1.220 554 I CA -0.058 61.251 61.300 0.015 0.000 1.381 554 I CB -0.139 37.824 38.000 -0.061 0.000 1.238 554 I HN -0.242 nan 8.210 nan 0.000 0.448 555 I N 1.320 121.873 120.570 -0.027 0.000 2.099 555 I HA -0.325 3.845 4.170 0.001 0.000 0.239 555 I C 2.544 178.649 176.117 -0.020 0.000 1.066 555 I CA 2.018 63.242 61.300 -0.127 0.000 1.324 555 I CB -0.283 37.573 38.000 -0.241 0.000 1.037 555 I HN 0.269 nan 8.210 nan 0.000 0.401 556 T N 0.721 115.294 114.554 0.032 0.000 2.595 556 T HA -0.274 4.076 4.350 0.001 0.000 0.264 556 T C 1.732 176.526 174.700 0.158 0.000 1.058 556 T CA 1.658 63.801 62.100 0.071 0.000 1.166 556 T CB -0.772 68.134 68.868 0.063 0.000 0.863 556 T HN 0.301 nan 8.240 nan 0.000 0.415 557 F N 1.010 120.977 119.950 0.029 0.000 2.176 557 F HA -0.212 4.316 4.527 0.000 0.000 0.301 557 F C 1.964 177.828 175.800 0.107 0.000 1.071 557 F CA 1.050 59.089 58.000 0.065 0.000 1.289 557 F CB -0.143 38.856 39.000 -0.002 0.000 1.028 557 F HN 0.102 nan 8.300 nan 0.000 0.494 558 L N -0.527 120.895 121.223 0.332 0.000 2.062 558 L HA -0.121 4.219 4.340 0.001 0.000 0.202 558 L C 2.023 179.016 176.870 0.204 0.000 1.079 558 L CA 1.044 56.015 54.840 0.219 0.000 0.755 558 L CB -0.669 41.435 42.059 0.074 0.000 0.913 558 L HN 0.065 nan 8.230 nan 0.000 0.445 559 S N -0.117 115.657 115.700 0.123 0.000 3.613 559 S HA -0.013 4.458 4.470 0.001 0.000 0.220 559 S C 0.444 175.098 174.600 0.089 0.000 1.261 559 S CA 0.261 58.516 58.200 0.092 0.000 1.143 559 S CB -0.456 62.774 63.200 0.051 0.000 1.315 559 S HN 0.443 nan 8.310 nan 0.000 0.450 560 E N -1.047 119.240 120.200 0.144 0.000 2.866 560 E HA 0.136 4.487 4.350 0.001 0.000 0.149 560 E C -1.046 175.544 176.600 -0.016 0.000 0.884 560 E CA -0.035 56.397 56.400 0.054 0.000 1.393 560 E CB 0.464 30.198 29.700 0.057 0.000 0.986 560 E HN 0.757 nan 8.360 nan 0.000 0.440 561 W N -0.165 121.124 121.300 -0.018 0.000 1.526 561 W HA 0.277 4.937 4.660 0.000 0.000 0.218 561 W C 0.728 177.219 176.519 -0.047 0.000 0.797 561 W CA 0.284 57.607 57.345 -0.036 0.000 0.997 561 W CB 1.852 31.283 29.460 -0.047 0.000 0.926 561 W HN 0.140 nan 8.180 nan 0.000 0.483 562 G N 1.798 110.705 108.800 0.179 0.000 2.467 562 G HA2 0.008 3.968 3.960 0.001 0.000 0.226 562 G HA3 0.008 3.968 3.960 0.001 0.000 0.226 562 G C -0.878 174.246 174.900 0.374 0.000 1.162 562 G CA -0.520 44.804 45.100 0.374 0.000 0.838 562 G HN 0.042 nan 8.290 nan 0.000 0.498 563 M N 1.318 121.024 119.600 0.177 0.000 2.065 563 M HA 0.515 4.995 4.480 0.001 0.000 0.332 563 M C 0.127 176.469 176.300 0.071 0.000 0.988 563 M CA -0.423 54.953 55.300 0.128 0.000 0.944 563 M CB 0.337 32.992 32.600 0.090 0.000 1.357 563 M HN 0.164 nan 8.290 nan 0.000 0.388 564 E N 6.492 126.726 120.200 0.058 0.000 2.341 564 E HA 0.092 4.442 4.350 0.001 0.000 0.256 564 E C -2.109 174.464 176.600 -0.044 0.000 1.125 564 E CA -1.409 54.997 56.400 0.009 0.000 0.939 564 E CB 0.171 29.880 29.700 0.014 0.000 0.991 564 E HN 0.436 nan 8.360 nan 0.000 0.458 565 P HA -0.124 nan 4.420 nan 0.000 0.262 565 P C 0.790 177.996 177.300 -0.156 0.000 1.199 565 P CA -0.047 63.016 63.100 -0.062 0.000 0.763 565 P CB 0.857 32.548 31.700 -0.015 0.000 0.790 566 L N 4.660 125.706 121.223 -0.295 0.000 2.151 566 L HA -0.285 4.055 4.340 0.001 0.000 0.219 566 L C 2.259 178.938 176.870 -0.319 0.000 1.083 566 L CA 2.011 56.517 54.840 -0.557 0.000 0.782 566 L CB -0.896 40.770 42.059 -0.654 0.000 0.891 566 L HN 0.355 nan 8.230 nan 0.000 0.439 567 E N -0.111 120.016 120.200 -0.121 0.000 2.197 567 E HA -0.213 4.137 4.350 0.001 0.000 0.205 567 E C 0.187 176.787 176.600 -0.000 0.000 1.029 567 E CA 1.707 58.090 56.400 -0.029 0.000 0.828 567 E CB -0.481 29.196 29.700 -0.037 0.000 0.737 567 E HN 0.676 nan 8.360 nan 0.000 0.464 568 D N -0.467 119.906 120.400 -0.044 0.000 2.412 568 D HA 0.135 4.775 4.640 0.001 0.000 0.276 568 D C -0.824 175.458 176.300 -0.030 0.000 1.196 568 D CA -0.329 53.666 54.000 -0.009 0.000 0.905 568 D CB 0.196 40.986 40.800 -0.017 0.000 1.081 568 D HN 0.006 nan 8.370 nan 0.000 0.502 569 Y N 1.152 121.325 120.300 -0.212 0.000 2.528 569 Y HA 0.518 5.068 4.550 0.001 0.000 0.335 569 Y C -0.698 175.141 175.900 -0.102 0.000 1.093 569 Y CA -1.101 56.810 58.100 -0.314 0.000 1.134 569 Y CB 1.679 39.640 38.460 -0.832 0.000 1.253 569 Y HN 0.056 nan 8.280 nan 0.000 0.478 570 V N 3.812 123.073 119.914 -1.089 0.000 2.501 570 V HA 0.346 4.466 4.120 0.001 0.000 0.277 570 V C -2.271 173.139 176.094 -1.140 0.000 1.004 570 V CA -1.558 60.260 62.300 -0.803 0.000 0.862 570 V CB 1.065 32.638 31.823 -0.417 0.000 1.035 570 V HN 0.723 nan 8.190 nan 0.000 0.448 571 P HA -0.255 nan 4.420 nan 0.000 0.217 571 P C 0.929 178.016 177.300 -0.355 0.000 1.158 571 P CA 2.166 64.918 63.100 -0.581 0.000 0.887 571 P CB 0.157 31.645 31.700 -0.355 0.000 0.792 572 H N -0.125 118.869 119.070 -0.126 0.000 2.266 572 H HA -0.019 4.537 4.556 0.001 0.000 0.308 572 H C 2.379 177.655 175.328 -0.086 0.000 1.057 572 H CA 1.173 57.184 56.048 -0.062 0.000 1.330 572 H CB -1.327 28.408 29.762 -0.044 0.000 1.400 572 H HN 0.188 nan 8.280 nan 0.000 0.503 573 Q N 1.413 121.209 119.800 -0.007 0.000 2.065 573 Q HA -0.143 4.197 4.340 0.001 0.000 0.213 573 Q C 0.200 176.156 176.000 -0.074 0.000 1.012 573 Q CA 1.825 57.599 55.803 -0.048 0.000 0.876 573 Q CB -0.046 28.638 28.738 -0.090 0.000 0.954 573 Q HN 0.211 nan 8.270 nan 0.000 0.413 574 S N 2.530 118.129 115.700 -0.168 0.000 2.473 574 S HA 0.169 4.640 4.470 0.001 0.000 0.312 574 S C -1.951 172.631 174.600 -0.030 0.000 1.087 574 S CA -1.206 56.934 58.200 -0.100 0.000 1.077 574 S CB 1.535 64.659 63.200 -0.127 0.000 1.065 574 S HN 0.402 nan 8.310 nan 0.000 0.510 575 P HA 0.022 nan 4.420 nan 0.000 0.196 575 P C -0.146 177.226 177.300 0.120 0.000 1.065 575 P CA 0.667 63.814 63.100 0.079 0.000 0.803 575 P CB 0.112 31.850 31.700 0.063 0.000 0.673 576 D N 0.467 120.925 120.400 0.097 0.000 3.032 576 D HA 0.304 4.945 4.640 0.001 0.000 0.241 576 D C 0.887 177.243 176.300 0.092 0.000 1.196 576 D CA 0.113 54.174 54.000 0.103 0.000 0.927 576 D CB -0.446 40.399 40.800 0.076 0.000 1.129 576 D HN 0.197 nan 8.370 nan 0.000 0.458 577 A N 0.276 123.167 122.820 0.119 0.000 2.297 577 A HA 0.240 4.560 4.320 0.001 0.000 0.279 577 A C 0.808 178.437 177.584 0.076 0.000 1.219 577 A CA 0.217 52.314 52.037 0.099 0.000 0.827 577 A CB 0.329 19.429 19.000 0.167 0.000 1.129 577 A HN 0.221 nan 8.150 nan 0.000 0.511 578 T N 0.952 115.537 114.554 0.052 0.000 3.686 578 T HA 0.248 4.598 4.350 0.001 0.000 0.248 578 T C -0.401 174.299 174.700 -0.001 0.000 1.090 578 T CA -0.542 61.580 62.100 0.036 0.000 1.659 578 T CB -0.215 68.684 68.868 0.052 0.000 0.780 578 T HN 0.804 nan 8.240 nan 0.000 0.632 579 R N 0.711 121.184 120.500 -0.044 0.000 2.481 579 R HA 0.196 4.536 4.340 0.001 0.000 0.291 579 R C -0.397 175.741 176.300 -0.270 0.000 0.934 579 R CA -0.149 55.906 56.100 -0.075 0.000 1.116 579 R CB -0.204 30.020 30.300 -0.126 0.000 0.895 579 R HN 0.158 nan 8.270 nan 0.000 0.410 580 V N 4.606 124.436 119.914 -0.140 0.000 2.644 580 V HA 0.378 4.498 4.120 0.001 0.000 0.295 580 V C -0.089 175.874 176.094 -0.218 0.000 1.053 580 V CA -0.331 61.894 62.300 -0.124 0.000 0.987 580 V CB 0.883 32.724 31.823 0.030 0.000 1.006 580 V HN 0.617 nan 8.190 nan 0.000 0.472 581 F N 2.464 122.441 119.950 0.044 0.000 2.507 581 F HA 0.568 5.096 4.527 0.000 0.000 0.328 581 F C -0.254 175.599 175.800 0.089 0.000 1.136 581 F CA -0.830 57.205 58.000 0.058 0.000 0.930 581 F CB 2.144 41.121 39.000 -0.037 0.000 1.166 581 F HN 0.170 nan 8.300 nan 0.000 0.436 582 V N 4.467 124.649 119.914 0.447 0.000 2.409 582 V HA 0.259 4.379 4.120 0.001 0.000 0.291 582 V C -0.374 175.938 176.094 0.363 0.000 1.020 582 V CA -0.914 61.603 62.300 0.361 0.000 0.848 582 V CB 1.345 33.431 31.823 0.438 0.000 0.990 582 V HN 0.851 nan 8.190 nan 0.000 0.430 583 N N 4.362 123.288 118.700 0.376 0.000 2.714 583 N HA -0.202 4.539 4.740 0.001 0.000 0.252 583 N C 1.015 176.692 175.510 0.278 0.000 1.014 583 N CA 1.452 54.715 53.050 0.354 0.000 0.735 583 N CB -1.037 37.586 38.487 0.228 0.000 0.924 583 N HN 1.482 nan 8.380 nan 0.000 0.540 584 G N -2.147 106.848 108.800 0.325 0.000 2.295 584 G HA2 -0.220 3.740 3.960 0.001 0.000 0.287 584 G HA3 -0.220 3.740 3.960 0.001 0.000 0.287 584 G C -0.218 174.837 174.900 0.258 0.000 1.055 584 G CA 0.380 45.572 45.100 0.153 0.000 0.922 584 G HN 0.585 nan 8.290 nan 0.000 0.503 585 V N -0.153 119.962 119.914 0.336 0.000 2.577 585 V HA 0.559 4.680 4.120 0.001 0.000 0.303 585 V C -0.251 176.087 176.094 0.407 0.000 1.042 585 V CA -1.212 61.194 62.300 0.177 0.000 0.872 585 V CB 1.877 33.604 31.823 -0.159 0.000 0.998 585 V HN 0.367 nan 8.190 nan 0.000 0.423 586 W N 5.040 126.500 121.300 0.266 0.000 2.422 586 W HA 0.390 5.051 4.660 0.000 0.000 0.349 586 W C 0.958 177.384 176.519 -0.154 0.000 1.062 586 W CA -0.549 56.847 57.345 0.085 0.000 1.497 586 W CB -0.086 29.526 29.460 0.253 0.000 1.407 586 W HN 0.692 nan 8.180 nan 0.000 0.393 587 H N 3.028 122.234 119.070 0.228 0.000 2.539 587 H HA 0.242 4.798 4.556 0.001 0.000 0.267 587 H C 1.346 176.621 175.328 -0.087 0.000 0.982 587 H CA 1.184 57.266 56.048 0.056 0.000 1.146 587 H CB 0.302 30.113 29.762 0.081 0.000 1.382 587 H HN 0.542 nan 8.280 nan 0.000 0.577 588 G N -0.243 108.467 108.800 -0.150 0.000 2.270 588 G HA2 0.012 3.973 3.960 0.001 0.000 0.268 588 G HA3 0.012 3.973 3.960 0.001 0.000 0.268 588 G C -1.488 173.305 174.900 -0.179 0.000 1.312 588 G CA -0.277 44.621 45.100 -0.336 0.000 1.050 588 G HN 0.136 nan 8.290 nan 0.000 0.474 589 V N -0.340 119.503 119.914 -0.118 0.000 3.159 589 V HA 0.842 4.962 4.120 0.001 0.000 0.308 589 V C -0.627 175.526 176.094 0.098 0.000 1.190 589 V CA -0.596 61.698 62.300 -0.010 0.000 1.037 589 V CB 2.060 33.850 31.823 -0.055 0.000 1.060 589 V HN 1.360 nan 8.190 nan 0.000 0.437 590 H N 0.934 120.015 119.070 0.018 0.000 2.768 590 H HA 0.673 5.229 4.556 0.001 0.000 0.371 590 H C 0.141 175.497 175.328 0.047 0.000 1.151 590 H CA -0.685 55.389 56.048 0.042 0.000 1.165 590 H CB 1.662 31.459 29.762 0.059 0.000 1.722 590 H HN 0.622 nan 8.280 nan 0.000 0.543 591 R N 1.450 121.540 120.500 -0.683 0.000 2.240 591 R HA 0.071 4.411 4.340 0.001 0.000 0.123 591 R C 0.167 176.154 176.300 -0.521 0.000 0.659 591 R CA -0.681 55.146 56.100 -0.454 0.000 1.732 591 R CB -0.398 29.710 30.300 -0.320 0.000 0.775 591 R HN 0.649 nan 8.270 nan 0.000 0.653 592 N N 3.372 121.912 118.700 -0.268 0.000 2.106 592 N HA -0.091 4.649 4.740 0.001 0.000 0.284 592 N C -1.670 173.907 175.510 0.112 0.000 1.388 592 N CA -0.154 52.862 53.050 -0.057 0.000 0.944 592 N CB 0.458 38.950 38.487 0.009 0.000 1.333 592 N HN 0.311 nan 8.380 nan 0.000 0.489 593 P HA 0.048 nan 4.420 nan 0.000 0.238 593 P C 1.012 178.408 177.300 0.160 0.000 1.183 593 P CA 0.299 63.591 63.100 0.320 0.000 0.813 593 P CB 0.099 31.950 31.700 0.252 0.000 0.944 594 A N 1.355 124.241 122.820 0.110 0.000 2.023 594 A HA -0.247 4.073 4.320 0.001 0.000 0.223 594 A C 2.324 179.951 177.584 0.073 0.000 1.180 594 A CA 1.890 53.971 52.037 0.074 0.000 0.659 594 A CB -1.122 17.915 19.000 0.061 0.000 0.817 594 A HN 0.186 nan 8.150 nan 0.000 0.466 595 R N -1.865 118.699 120.500 0.108 0.000 2.128 595 R HA 0.154 4.495 4.340 0.001 0.000 0.211 595 R C 2.073 178.423 176.300 0.084 0.000 1.067 595 R CA 0.662 56.824 56.100 0.104 0.000 1.010 595 R CB -0.464 29.923 30.300 0.145 0.000 0.922 595 R HN 0.470 nan 8.270 nan 0.000 0.457 596 L N 1.054 122.348 121.223 0.118 0.000 2.089 596 L HA -0.225 4.115 4.340 0.001 0.000 0.213 596 L C 2.069 178.886 176.870 -0.087 0.000 1.079 596 L CA 1.857 56.694 54.840 -0.006 0.000 0.758 596 L CB -0.373 41.649 42.059 -0.062 0.000 0.891 596 L HN 0.132 nan 8.230 nan 0.000 0.433 597 M N 0.058 119.637 119.600 -0.035 0.000 2.139 597 M HA -0.212 4.268 4.480 0.001 0.000 0.260 597 M C 2.303 178.552 176.300 -0.085 0.000 1.078 597 M CA 2.275 57.538 55.300 -0.062 0.000 1.106 597 M CB -0.769 31.819 32.600 -0.020 0.000 1.275 597 M HN 0.470 nan 8.290 nan 0.000 0.425 598 E N -1.311 118.862 120.200 -0.044 0.000 2.271 598 E HA -0.294 4.056 4.350 0.001 0.000 0.209 598 E C 1.450 177.995 176.600 -0.093 0.000 1.046 598 E CA 2.115 58.487 56.400 -0.046 0.000 0.840 598 E CB -0.150 29.545 29.700 -0.008 0.000 0.738 598 E HN 0.623 nan 8.360 nan 0.000 0.470 599 T N 0.998 115.461 114.554 -0.151 0.000 2.612 599 T HA -0.094 4.257 4.350 0.001 0.000 0.259 599 T C 1.882 176.397 174.700 -0.307 0.000 1.065 599 T CA 1.503 63.431 62.100 -0.285 0.000 1.167 599 T CB -0.288 68.231 68.868 -0.582 0.000 0.863 599 T HN 0.187 nan 8.240 nan 0.000 0.407 600 L N 0.527 121.545 121.223 -0.341 0.000 2.127 600 L HA -0.121 4.219 4.340 0.001 0.000 0.211 600 L C 2.907 179.632 176.870 -0.241 0.000 1.089 600 L CA 1.308 55.940 54.840 -0.347 0.000 0.757 600 L CB -0.681 41.193 42.059 -0.309 0.000 0.899 600 L HN 0.166 nan 8.230 nan 0.000 0.434 601 R N 0.119 120.519 120.500 -0.167 0.000 2.070 601 R HA -0.106 4.234 4.340 0.001 0.000 0.233 601 R C 1.930 178.166 176.300 -0.108 0.000 1.137 601 R CA 1.974 58.008 56.100 -0.110 0.000 0.945 601 R CB -0.366 29.894 30.300 -0.067 0.000 0.845 601 R HN 0.351 nan 8.270 nan 0.000 0.430 602 T N 1.377 115.867 114.554 -0.107 0.000 3.169 602 T HA 0.063 4.413 4.350 0.001 0.000 0.250 602 T C 1.341 175.979 174.700 -0.103 0.000 1.111 602 T CA 0.000 62.047 62.100 -0.088 0.000 1.010 602 T CB 0.236 69.067 68.868 -0.062 0.000 0.984 602 T HN 0.052 nan 8.240 nan 0.000 0.537 603 L N 1.441 122.570 121.223 -0.157 0.000 2.341 603 L HA 0.228 4.568 4.340 0.001 0.000 0.214 603 L C 2.342 179.109 176.870 -0.171 0.000 1.115 603 L CA 1.306 56.034 54.840 -0.187 0.000 0.820 603 L CB -0.479 41.360 42.059 -0.367 0.000 0.944 603 L HN 0.249 nan 8.230 nan 0.000 0.452 604 R N 0.112 120.516 120.500 -0.161 0.000 2.064 604 R HA -0.031 4.310 4.340 0.001 0.000 0.221 604 R C 1.918 178.146 176.300 -0.119 0.000 1.136 604 R CA 0.226 56.242 56.100 -0.140 0.000 0.980 604 R CB -0.174 30.045 30.300 -0.135 0.000 0.876 604 R HN 0.185 nan 8.270 nan 0.000 0.437 605 R N 0.890 121.325 120.500 -0.108 0.000 2.417 605 R HA -0.140 4.200 4.340 0.001 0.000 0.220 605 R C 1.985 178.232 176.300 -0.089 0.000 1.128 605 R CA 1.245 57.283 56.100 -0.104 0.000 1.048 605 R CB -0.108 30.141 30.300 -0.085 0.000 0.835 605 R HN 0.328 nan 8.270 nan 0.000 0.483 606 K N -0.078 120.275 120.400 -0.079 0.000 2.102 606 K HA -0.006 4.315 4.320 0.001 0.000 0.206 606 K C 0.922 177.492 176.600 -0.051 0.000 1.031 606 K CA 1.321 57.578 56.287 -0.051 0.000 0.962 606 K CB 0.418 32.898 32.500 -0.034 0.000 0.811 606 K HN 0.172 nan 8.250 nan 0.000 0.453 607 G N 1.265 110.030 108.800 -0.059 0.000 2.157 607 G HA2 -0.156 3.804 3.960 0.001 0.000 0.114 607 G HA3 -0.156 3.804 3.960 0.001 0.000 0.114 607 G C -0.040 174.847 174.900 -0.022 0.000 1.041 607 G CA 0.283 45.354 45.100 -0.048 0.000 0.714 607 G HN 0.489 nan 8.290 nan 0.000 0.492 608 D N 0.032 120.416 120.400 -0.028 0.000 2.262 608 D HA 0.198 4.839 4.640 0.001 0.000 0.212 608 D C 1.401 177.682 176.300 -0.032 0.000 0.964 608 D CA 1.003 55.010 54.000 0.011 0.000 0.875 608 D CB 0.148 40.987 40.800 0.066 0.000 0.996 608 D HN 0.670 nan 8.370 nan 0.000 0.497 609 I N -0.955 119.550 120.570 -0.110 0.000 2.382 609 I HA 0.367 4.538 4.170 0.001 0.000 0.286 609 I C -0.287 175.771 176.117 -0.099 0.000 1.002 609 I CA -1.214 60.004 61.300 -0.137 0.000 1.135 609 I CB 1.228 39.072 38.000 -0.259 0.000 1.288 609 I HN -0.222 nan 8.210 nan 0.000 0.448 610 N N 7.624 126.291 118.700 -0.057 0.000 2.036 610 N HA -0.070 4.670 4.740 0.001 0.000 0.288 610 N C -1.655 173.814 175.510 -0.069 0.000 1.293 610 N CA -0.558 52.468 53.050 -0.040 0.000 0.808 610 N CB 0.801 39.283 38.487 -0.008 0.000 1.040 610 N HN 0.476 nan 8.380 nan 0.000 0.489 611 P HA -0.087 nan 4.420 nan 0.000 0.234 611 P C 0.744 177.983 177.300 -0.102 0.000 1.162 611 P CA 0.815 63.821 63.100 -0.156 0.000 0.759 611 P CB 0.276 31.803 31.700 -0.289 0.000 0.813 612 E N -0.288 119.885 120.200 -0.045 0.000 2.034 612 E HA -0.023 4.327 4.350 0.001 0.000 0.192 612 E C 0.142 176.638 176.600 -0.174 0.000 0.963 612 E CA 0.242 56.559 56.400 -0.138 0.000 0.831 612 E CB -0.215 29.452 29.700 -0.056 0.000 0.801 612 E HN -0.242 nan 8.360 nan 0.000 0.463 613 V N 2.735 122.600 119.914 -0.081 0.000 2.877 613 V HA -0.157 3.963 4.120 0.001 0.000 0.294 613 V C 0.570 176.637 176.094 -0.045 0.000 1.280 613 V CA 0.953 63.232 62.300 -0.034 0.000 1.372 613 V CB 0.325 32.137 31.823 -0.019 0.000 0.867 613 V HN 0.479 nan 8.190 nan 0.000 0.513 614 S N 5.294 120.997 115.700 0.005 0.000 2.718 614 S HA 0.982 5.452 4.470 0.001 0.000 0.300 614 S C -0.719 173.821 174.600 -0.100 0.000 1.117 614 S CA -0.944 57.240 58.200 -0.027 0.000 1.002 614 S CB 2.018 65.239 63.200 0.035 0.000 1.092 614 S HN 0.918 nan 8.310 nan 0.000 0.542 615 M N -0.119 119.402 119.600 -0.132 0.000 2.426 615 M HA 0.721 5.201 4.480 0.001 0.000 0.289 615 M C -2.232 173.985 176.300 -0.138 0.000 1.168 615 M CA -0.598 54.599 55.300 -0.172 0.000 0.933 615 M CB 1.198 33.718 32.600 -0.134 0.000 1.750 615 M HN 0.482 nan 8.290 nan 0.000 0.494 616 I N 0.545 121.026 120.570 -0.149 0.000 2.644 616 I HA 0.559 4.729 4.170 0.001 0.000 0.291 616 I C -0.889 175.192 176.117 -0.060 0.000 1.180 616 I CA -0.614 60.632 61.300 -0.089 0.000 1.040 616 I CB 2.281 40.230 38.000 -0.085 0.000 1.255 616 I HN 0.882 nan 8.210 nan 0.000 0.422 617 R N 3.978 124.462 120.500 -0.027 0.000 2.204 617 R HA 0.268 4.609 4.340 0.001 0.000 0.341 617 R C -0.814 175.489 176.300 0.006 0.000 1.035 617 R CA -0.348 55.748 56.100 -0.007 0.000 0.887 617 R CB 0.626 30.930 30.300 0.006 0.000 1.114 617 R HN 0.715 nan 8.270 nan 0.000 0.473 618 D N 6.967 127.374 120.400 0.011 0.000 2.468 618 D HA 0.058 4.698 4.640 0.001 0.000 0.218 618 D C 1.495 177.812 176.300 0.030 0.000 1.155 618 D CA -0.177 53.836 54.000 0.022 0.000 0.924 618 D CB 0.508 41.325 40.800 0.028 0.000 1.029 618 D HN 0.604 nan 8.370 nan 0.000 0.515 619 I N 2.725 123.312 120.570 0.028 0.000 2.052 619 I HA -0.351 3.819 4.170 0.001 0.000 0.235 619 I C 2.349 178.488 176.117 0.037 0.000 1.046 619 I CA 0.941 62.261 61.300 0.033 0.000 1.308 619 I CB -0.414 37.603 38.000 0.029 0.000 1.031 619 I HN 0.250 nan 8.210 nan 0.000 0.395 620 R N 0.496 121.016 120.500 0.033 0.000 2.244 620 R HA -0.255 4.086 4.340 0.001 0.000 0.252 620 R C 1.965 178.291 176.300 0.043 0.000 1.177 620 R CA 1.876 57.996 56.100 0.034 0.000 1.004 620 R CB -0.430 29.887 30.300 0.028 0.000 0.873 620 R HN 0.500 nan 8.270 nan 0.000 0.469 621 E N 0.710 120.938 120.200 0.047 0.000 2.447 621 E HA 0.039 4.389 4.350 0.001 0.000 0.204 621 E C -0.678 175.963 176.600 0.068 0.000 0.977 621 E CA -0.029 56.406 56.400 0.059 0.000 0.950 621 E CB 0.448 30.183 29.700 0.059 0.000 0.975 621 E HN 0.032 nan 8.360 nan 0.000 0.496 622 K N 1.221 121.654 120.400 0.055 0.000 4.868 622 K HA -0.201 4.119 4.320 0.001 0.000 0.324 622 K C -1.047 175.574 176.600 0.035 0.000 0.971 622 K CA 0.942 57.259 56.287 0.051 0.000 1.034 622 K CB -1.210 31.331 32.500 0.067 0.000 1.672 622 K HN 0.274 nan 8.250 nan 0.000 0.426 623 E N 0.576 120.789 120.200 0.022 0.000 2.375 623 E HA 0.384 4.734 4.350 0.001 0.000 0.280 623 E C -1.620 174.981 176.600 0.002 0.000 0.972 623 E CA -1.053 55.343 56.400 -0.007 0.000 0.782 623 E CB 1.748 31.481 29.700 0.054 0.000 1.229 623 E HN 0.129 nan 8.360 nan 0.000 0.439 624 L N 2.932 124.144 121.223 -0.018 0.000 2.353 624 L HA 0.345 4.686 4.340 0.001 0.000 0.270 624 L C -1.076 175.799 176.870 0.008 0.000 1.003 624 L CA -0.516 54.316 54.840 -0.014 0.000 0.862 624 L CB 0.726 42.775 42.059 -0.017 0.000 1.221 624 L HN 0.244 nan 8.230 nan 0.000 0.430 625 K N 5.625 125.982 120.400 -0.073 0.000 2.249 625 K HA 0.527 4.847 4.320 0.001 0.000 0.280 625 K C -0.792 175.571 176.600 -0.396 0.000 1.033 625 K CA -0.168 55.968 56.287 -0.251 0.000 0.946 625 K CB 1.589 33.827 32.500 -0.436 0.000 1.005 625 K HN 0.548 nan 8.250 nan 0.000 0.469 626 I N 3.614 123.930 120.570 -0.424 0.000 2.512 626 I HA 0.308 4.478 4.170 0.001 0.000 0.287 626 I C -0.886 175.166 176.117 -0.108 0.000 1.069 626 I CA -0.579 60.565 61.300 -0.261 0.000 1.056 626 I CB 1.302 39.282 38.000 -0.033 0.000 1.229 626 I HN 0.423 nan 8.210 nan 0.000 0.429 627 F N 4.357 124.315 119.950 0.014 0.000 2.532 627 F HA 0.220 4.748 4.527 0.000 0.000 0.365 627 F C 1.113 176.910 175.800 -0.006 0.000 1.112 627 F CA -0.534 57.469 58.000 0.006 0.000 1.082 627 F CB 1.996 40.990 39.000 -0.011 0.000 1.319 627 F HN 0.383 nan 8.300 nan 0.000 0.457 628 T N 0.806 115.475 114.554 0.192 0.000 3.107 628 T HA -0.038 4.313 4.350 0.001 0.000 0.249 628 T C 0.495 175.245 174.700 0.082 0.000 1.096 628 T CA 0.022 62.181 62.100 0.098 0.000 1.012 628 T CB -0.529 68.383 68.868 0.074 0.000 0.977 628 T HN 0.584 nan 8.240 nan 0.000 0.527 629 D N 1.313 121.770 120.400 0.095 0.000 2.307 629 D HA 0.266 4.907 4.640 0.001 0.000 0.234 629 D C -0.201 176.110 176.300 0.018 0.000 1.308 629 D CA 0.451 54.467 54.000 0.027 0.000 0.886 629 D CB 0.434 41.197 40.800 -0.062 0.000 1.202 629 D HN 0.309 nan 8.370 nan 0.000 0.479 630 A N 0.069 122.888 122.820 -0.001 0.000 2.330 630 A HA 0.661 4.981 4.320 0.001 0.000 0.313 630 A C 0.349 177.930 177.584 -0.006 0.000 1.124 630 A CA 0.019 52.062 52.037 0.011 0.000 0.774 630 A CB 1.085 20.096 19.000 0.018 0.000 1.198 630 A HN 1.117 nan 8.150 nan 0.000 0.465 631 G N 1.981 110.784 108.800 0.004 0.000 2.189 631 G HA2 -0.090 3.870 3.960 0.001 0.000 0.113 631 G HA3 -0.090 3.870 3.960 0.001 0.000 0.113 631 G C -0.244 174.622 174.900 -0.057 0.000 1.038 631 G CA -0.545 44.541 45.100 -0.023 0.000 0.704 631 G HN 0.825 nan 8.290 nan 0.000 0.490 632 R N 0.007 120.503 120.500 -0.007 0.000 2.387 632 R HA 0.621 4.961 4.340 0.001 0.000 0.314 632 R C 0.006 176.333 176.300 0.044 0.000 0.958 632 R CA -0.787 55.300 56.100 -0.021 0.000 0.846 632 R CB 2.515 32.840 30.300 0.042 0.000 1.147 632 R HN 0.065 nan 8.270 nan 0.000 0.447 633 V N 4.341 124.173 119.914 -0.136 0.000 2.607 633 V HA 0.352 4.473 4.120 0.001 0.000 0.289 633 V C -0.554 175.544 176.094 0.007 0.000 1.053 633 V CA -0.197 62.004 62.300 -0.165 0.000 0.996 633 V CB 0.475 32.144 31.823 -0.256 0.000 0.995 633 V HN 0.740 nan 8.190 nan 0.000 0.476 634 Y N 3.040 123.298 120.300 -0.069 0.000 2.638 634 Y HA 0.845 5.395 4.550 0.000 0.000 0.335 634 Y C -0.539 175.327 175.900 -0.055 0.000 1.155 634 Y CA -1.665 56.416 58.100 -0.032 0.000 1.046 634 Y CB 1.333 39.788 38.460 -0.008 0.000 1.303 634 Y HN 0.645 nan 8.280 nan 0.000 0.460 635 R N 0.639 121.240 120.500 0.168 0.000 2.960 635 R HA 0.772 5.112 4.340 0.001 0.000 0.249 635 R C -3.265 173.162 176.300 0.212 0.000 1.192 635 R CA -1.983 54.150 56.100 0.055 0.000 1.035 635 R CB 2.296 32.593 30.300 -0.006 0.000 1.234 635 R HN 0.529 nan 8.270 nan 0.000 0.493 636 P HA 0.483 nan 4.420 nan 0.000 0.299 636 P C -1.102 176.272 177.300 0.123 0.000 1.323 636 P CA -0.670 62.621 63.100 0.318 0.000 0.896 636 P CB 1.932 33.881 31.700 0.414 0.000 1.081 637 L N 2.930 124.252 121.223 0.165 0.000 2.455 637 L HA 0.456 4.796 4.340 0.001 0.000 0.264 637 L C 0.128 177.128 176.870 0.217 0.000 0.968 637 L CA -0.986 53.896 54.840 0.071 0.000 0.827 637 L CB 2.279 44.407 42.059 0.115 0.000 1.317 637 L HN 0.323 nan 8.230 nan 0.000 0.407 638 F N 3.505 123.526 119.950 0.119 0.000 2.557 638 F HA 0.121 4.648 4.527 0.000 0.000 0.384 638 F C 0.829 176.639 175.800 0.017 0.000 1.057 638 F CA -0.425 57.600 58.000 0.040 0.000 1.169 638 F CB 0.312 39.315 39.000 0.006 0.000 1.070 638 F HN 0.230 nan 8.300 nan 0.000 0.554 639 I N 4.927 125.577 120.570 0.132 0.000 2.517 639 I HA 0.022 4.192 4.170 0.001 0.000 0.285 639 I C -0.170 175.883 176.117 -0.107 0.000 1.106 639 I CA -0.067 61.158 61.300 -0.125 0.000 1.402 639 I CB 0.653 38.576 38.000 -0.129 0.000 1.399 639 I HN 0.266 nan 8.210 nan 0.000 0.535 640 V N 6.692 126.514 119.914 -0.153 0.000 2.260 640 V HA 0.222 4.342 4.120 0.001 0.000 0.263 640 V C -0.002 176.040 176.094 -0.087 0.000 1.036 640 V CA -0.655 61.595 62.300 -0.084 0.000 0.874 640 V CB 0.329 32.139 31.823 -0.022 0.000 1.116 640 V HN 0.599 nan 8.190 nan 0.000 0.454 641 E N 2.267 122.408 120.200 -0.099 0.000 2.283 641 E HA 0.209 4.559 4.350 0.001 0.000 0.271 641 E C 0.375 176.936 176.600 -0.065 0.000 1.031 641 E CA -0.498 55.860 56.400 -0.070 0.000 0.868 641 E CB 1.327 30.985 29.700 -0.070 0.000 1.094 641 E HN 0.643 nan 8.360 nan 0.000 0.401 642 D N 1.052 121.429 120.400 -0.039 0.000 2.490 642 D HA -0.087 4.553 4.640 0.001 0.000 0.255 642 D C -0.354 175.923 176.300 -0.038 0.000 1.248 642 D CA -0.038 53.936 54.000 -0.043 0.000 0.887 642 D CB -0.178 40.624 40.800 0.004 0.000 0.978 642 D HN 0.182 nan 8.370 nan 0.000 0.491 643 D N 0.612 120.984 120.400 -0.045 0.000 2.407 643 D HA -0.111 4.530 4.640 0.001 0.000 0.234 643 D C 0.312 176.594 176.300 -0.030 0.000 1.029 643 D CA 0.641 54.622 54.000 -0.032 0.000 0.937 643 D CB -0.041 40.739 40.800 -0.034 0.000 0.882 643 D HN 0.392 nan 8.370 nan 0.000 0.531 644 E N 0.629 120.804 120.200 -0.043 0.000 2.014 644 E HA 0.120 4.470 4.350 0.001 0.000 0.275 644 E C 1.071 177.668 176.600 -0.005 0.000 0.997 644 E CA -0.425 55.955 56.400 -0.033 0.000 0.804 644 E CB 0.767 30.428 29.700 -0.065 0.000 1.090 644 E HN -0.070 nan 8.360 nan 0.000 0.401 645 S N 4.734 120.435 115.700 0.002 0.000 2.353 645 S HA -0.167 4.303 4.470 0.001 0.000 0.222 645 S C 1.161 175.775 174.600 0.023 0.000 1.035 645 S CA 0.648 58.856 58.200 0.013 0.000 1.025 645 S CB -0.450 62.756 63.200 0.010 0.000 0.902 645 S HN 0.559 nan 8.310 nan 0.000 0.440 646 L N 2.906 124.141 121.223 0.020 0.000 2.451 646 L HA 0.442 4.782 4.340 0.001 0.000 0.272 646 L C 1.243 178.145 176.870 0.053 0.000 1.258 646 L CA 0.190 55.047 54.840 0.029 0.000 1.132 646 L CB -0.911 41.160 42.059 0.020 0.000 1.361 646 L HN 0.757 nan 8.230 nan 0.000 0.438 647 G N 0.484 109.330 108.800 0.077 0.000 2.254 647 G HA2 -0.149 3.811 3.960 0.001 0.000 0.193 647 G HA3 -0.149 3.811 3.960 0.001 0.000 0.193 647 G C -0.246 174.778 174.900 0.206 0.000 1.233 647 G CA -0.034 45.158 45.100 0.153 0.000 1.290 647 G HN 0.500 nan 8.290 nan 0.000 0.517 648 H N 0.435 119.516 119.070 0.017 0.000 4.914 648 H HA 0.708 5.264 4.556 0.001 0.000 0.268 648 H C -0.007 175.336 175.328 0.025 0.000 1.306 648 H CA 0.222 56.286 56.048 0.027 0.000 0.504 648 H CB -0.006 29.779 29.762 0.038 0.000 1.445 648 H HN 0.594 nan 8.280 nan 0.000 0.482 649 K N 0.169 120.303 120.400 -0.443 0.000 2.123 649 K HA 0.408 4.728 4.320 0.001 0.000 0.259 649 K C -0.891 175.327 176.600 -0.638 0.000 0.960 649 K CA -0.291 55.793 56.287 -0.338 0.000 0.872 649 K CB 1.573 34.052 32.500 -0.035 0.000 1.079 649 K HN 0.633 nan 8.250 nan 0.000 0.440 650 E N 2.289 122.296 120.200 -0.322 0.000 2.409 650 E HA 0.185 4.536 4.350 0.001 0.000 0.280 650 E C -1.647 174.866 176.600 -0.145 0.000 1.079 650 E CA -0.646 55.602 56.400 -0.254 0.000 0.840 650 E CB 0.563 30.106 29.700 -0.261 0.000 1.309 650 E HN 0.411 nan 8.360 nan 0.000 0.447 651 L N 2.813 123.963 121.223 -0.121 0.000 2.559 651 L HA 0.123 4.464 4.340 0.001 0.000 0.274 651 L C 1.048 177.843 176.870 -0.126 0.000 1.205 651 L CA 0.384 55.149 54.840 -0.124 0.000 0.907 651 L CB 0.257 42.200 42.059 -0.193 0.000 1.153 651 L HN 0.603 nan 8.230 nan 0.000 0.490 652 K N 2.645 122.969 120.400 -0.126 0.000 2.878 652 K HA 0.197 4.517 4.320 0.001 0.000 0.242 652 K C -0.933 175.562 176.600 -0.175 0.000 0.985 652 K CA -0.009 56.211 56.287 -0.112 0.000 1.168 652 K CB -0.077 32.358 32.500 -0.109 0.000 0.993 652 K HN 0.414 nan 8.250 nan 0.000 0.476 653 V N 0.768 120.575 119.914 -0.178 0.000 2.932 653 V HA 0.477 4.597 4.120 0.001 0.000 0.307 653 V C -0.735 175.388 176.094 0.047 0.000 1.147 653 V CA -1.172 61.008 62.300 -0.200 0.000 0.951 653 V CB 2.117 33.672 31.823 -0.446 0.000 1.031 653 V HN 0.140 nan 8.190 nan 0.000 0.426 654 R N 1.474 122.176 120.500 0.338 0.000 2.836 654 R HA 0.480 4.820 4.340 0.001 0.000 0.269 654 R C 0.505 176.853 176.300 0.081 0.000 1.010 654 R CA -1.172 54.996 56.100 0.113 0.000 0.930 654 R CB 1.146 31.479 30.300 0.055 0.000 1.218 654 R HN 0.620 nan 8.270 nan 0.000 0.473 655 K N 0.865 121.282 120.400 0.028 0.000 2.374 655 K HA -0.159 4.161 4.320 0.001 0.000 0.202 655 K C 1.497 178.116 176.600 0.030 0.000 1.044 655 K CA 2.123 58.428 56.287 0.029 0.000 0.933 655 K CB -0.536 31.973 32.500 0.014 0.000 0.745 655 K HN 0.758 nan 8.250 nan 0.000 0.474 656 G N -0.933 107.864 108.800 -0.005 0.000 2.425 656 G HA2 -0.192 3.769 3.960 0.001 0.000 0.213 656 G HA3 -0.192 3.769 3.960 0.001 0.000 0.213 656 G C 1.100 176.004 174.900 0.007 0.000 1.201 656 G CA 0.497 45.566 45.100 -0.052 0.000 0.799 656 G HN 0.346 nan 8.290 nan 0.000 0.534 657 H N 0.815 119.922 119.070 0.062 0.000 2.297 657 H HA -0.144 4.412 4.556 0.001 0.000 0.289 657 H C 2.659 178.149 175.328 0.270 0.000 1.105 657 H CA 1.735 57.902 56.048 0.199 0.000 1.219 657 H CB -0.366 29.475 29.762 0.133 0.000 1.351 657 H HN 0.301 nan 8.280 nan 0.000 0.481 658 I N 0.478 121.206 120.570 0.263 0.000 2.052 658 I HA -0.327 3.843 4.170 0.001 0.000 0.235 658 I C 2.891 179.120 176.117 0.187 0.000 1.046 658 I CA 1.437 62.850 61.300 0.188 0.000 1.308 658 I CB -0.472 37.598 38.000 0.118 0.000 1.031 658 I HN 0.207 nan 8.210 nan 0.000 0.395 659 A N 0.026 122.925 122.820 0.130 0.000 1.986 659 A HA -0.301 4.019 4.320 0.001 0.000 0.220 659 A C 2.315 179.979 177.584 0.133 0.000 1.171 659 A CA 2.076 54.175 52.037 0.103 0.000 0.640 659 A CB -0.667 18.363 19.000 0.050 0.000 0.811 659 A HN 0.412 nan 8.150 nan 0.000 0.451 660 K N -0.803 119.699 120.400 0.169 0.000 2.283 660 K HA 0.028 4.349 4.320 0.001 0.000 0.202 660 K C 1.697 178.582 176.600 0.476 0.000 1.048 660 K CA 0.834 57.228 56.287 0.178 0.000 0.948 660 K CB -0.183 32.280 32.500 -0.061 0.000 0.742 660 K HN 0.540 nan 8.250 nan 0.000 0.458 661 L N -0.126 121.388 121.223 0.485 0.000 2.121 661 L HA -0.027 4.314 4.340 0.001 0.000 0.200 661 L C 2.272 179.282 176.870 0.233 0.000 1.077 661 L CA 0.729 55.767 54.840 0.331 0.000 0.766 661 L CB -0.201 41.955 42.059 0.163 0.000 0.931 661 L HN 0.173 nan 8.230 nan 0.000 0.452 662 M N -0.359 119.361 119.600 0.200 0.000 2.426 662 M HA -0.208 4.272 4.480 0.001 0.000 0.261 662 M C 2.266 178.677 176.300 0.185 0.000 1.068 662 M CA 1.353 56.758 55.300 0.176 0.000 1.066 662 M CB -0.609 32.080 32.600 0.148 0.000 1.399 662 M HN 0.348 nan 8.290 nan 0.000 0.449 663 A N 0.436 123.365 122.820 0.181 0.000 1.858 663 A HA -0.147 4.173 4.320 0.001 0.000 0.216 663 A C 2.235 179.941 177.584 0.205 0.000 1.190 663 A CA 2.293 54.429 52.037 0.165 0.000 0.617 663 A CB -1.101 17.982 19.000 0.139 0.000 0.827 663 A HN 0.434 nan 8.150 nan 0.000 0.443 664 T N -0.171 114.504 114.554 0.202 0.000 2.867 664 T HA -0.085 4.265 4.350 0.001 0.000 0.268 664 T C 1.708 176.502 174.700 0.156 0.000 1.057 664 T CA 1.309 63.514 62.100 0.176 0.000 1.136 664 T CB -0.233 68.742 68.868 0.178 0.000 0.874 664 T HN 0.577 nan 8.240 nan 0.000 0.466 665 E N 0.066 120.367 120.200 0.168 0.000 2.085 665 E HA -0.178 4.172 4.350 0.001 0.000 0.194 665 E C 1.849 178.531 176.600 0.136 0.000 0.994 665 E CA 1.159 57.644 56.400 0.141 0.000 0.801 665 E CB -0.229 29.564 29.700 0.154 0.000 0.743 665 E HN 0.536 nan 8.360 nan 0.000 0.453 666 Y N 1.966 122.302 120.300 0.060 0.000 2.049 666 Y HA -0.248 4.303 4.550 0.001 0.000 0.277 666 Y C 2.129 178.051 175.900 0.038 0.000 1.143 666 Y CA 2.255 60.382 58.100 0.045 0.000 1.115 666 Y CB -0.195 38.292 38.460 0.046 0.000 0.975 666 Y HN -0.007 nan 8.280 nan 0.000 0.487 667 Q N 0.985 120.808 119.800 0.037 0.000 2.239 667 Q HA 0.177 4.518 4.340 0.001 0.000 0.219 667 Q C -0.733 175.254 176.000 -0.021 0.000 0.901 667 Q CA 0.194 55.968 55.803 -0.048 0.000 0.949 667 Q CB -0.535 28.244 28.738 0.068 0.000 1.038 667 Q HN 0.350 nan 8.270 nan 0.000 0.458 679 Y N 2.868 123.215 120.300 0.079 0.000 2.804 679 Y HA 0.428 4.978 4.550 0.000 0.000 0.330 679 Y C 0.078 176.044 175.900 0.111 0.000 1.092 679 Y CA -0.079 58.072 58.100 0.085 0.000 1.315 679 Y CB 0.193 38.705 38.460 0.088 0.000 1.188 679 Y HN 0.017 nan 8.280 nan 0.000 0.512 680 T N 4.215 118.838 114.554 0.115 0.000 2.689 680 T HA -0.066 4.284 4.350 0.001 0.000 0.308 680 T C 1.124 175.812 174.700 -0.020 0.000 1.021 680 T CA -0.061 62.077 62.100 0.063 0.000 0.973 680 T CB 0.287 69.221 68.868 0.110 0.000 1.113 680 T HN 0.835 nan 8.240 nan 0.000 0.522 681 W N 0.734 121.995 121.300 -0.065 0.000 2.480 681 W HA -0.015 4.645 4.660 0.000 0.000 0.299 681 W C 2.380 178.880 176.519 -0.031 0.000 1.187 681 W CA 1.073 58.392 57.345 -0.044 0.000 1.347 681 W CB -0.939 28.535 29.460 0.024 0.000 1.121 681 W HN 0.697 nan 8.180 nan 0.000 0.533 682 S N 1.117 116.846 115.700 0.049 0.000 2.423 682 S HA -0.263 4.208 4.470 0.001 0.000 0.238 682 S C 2.174 176.676 174.600 -0.164 0.000 1.028 682 S CA 2.650 60.807 58.200 -0.071 0.000 1.000 682 S CB -0.618 62.627 63.200 0.075 0.000 0.797 682 S HN 0.494 nan 8.310 nan 0.000 0.487 683 S N 1.379 117.014 115.700 -0.109 0.000 2.357 683 S HA 0.037 4.507 4.470 0.001 0.000 0.221 683 S C 1.804 176.309 174.600 -0.157 0.000 1.031 683 S CA 1.083 59.258 58.200 -0.042 0.000 0.982 683 S CB -0.893 62.395 63.200 0.146 0.000 0.853 683 S HN 0.564 nan 8.310 nan 0.000 0.458 684 L N 0.831 121.849 121.223 -0.341 0.000 2.447 684 L HA -0.049 4.291 4.340 0.001 0.000 0.225 684 L C 2.393 178.960 176.870 -0.505 0.000 1.148 684 L CA 0.726 55.300 54.840 -0.443 0.000 0.808 684 L CB -0.705 41.010 42.059 -0.575 0.000 0.928 684 L HN 0.391 nan 8.230 nan 0.000 0.448 685 L N -0.876 120.033 121.223 -0.524 0.000 2.194 685 L HA 0.062 4.402 4.340 0.001 0.000 0.197 685 L C 2.115 178.822 176.870 -0.272 0.000 1.106 685 L CA 1.483 56.044 54.840 -0.466 0.000 0.785 685 L CB -0.972 40.786 42.059 -0.502 0.000 0.960 685 L HN 0.065 nan 8.230 nan 0.000 0.465 686 N N 0.617 119.199 118.700 -0.196 0.000 2.205 686 N HA -0.206 4.535 4.740 0.001 0.000 0.186 686 N C 1.229 176.686 175.510 -0.088 0.000 1.015 686 N CA 1.434 54.415 53.050 -0.115 0.000 0.862 686 N CB -0.369 38.078 38.487 -0.067 0.000 0.986 686 N HN 0.602 nan 8.380 nan 0.000 0.429 687 E N 0.658 120.806 120.200 -0.087 0.000 2.405 687 E HA 0.031 4.382 4.350 0.001 0.000 0.194 687 E C 0.449 176.996 176.600 -0.088 0.000 1.149 687 E CA -0.283 56.088 56.400 -0.048 0.000 0.933 687 E CB -0.569 29.131 29.700 0.001 0.000 1.028 687 E HN 0.321 nan 8.360 nan 0.000 0.487 688 G N 1.354 110.087 108.800 -0.112 0.000 2.449 688 G HA2 -0.282 3.678 3.960 0.001 0.000 0.304 688 G HA3 -0.282 3.678 3.960 0.001 0.000 0.304 688 G C 0.698 175.524 174.900 -0.125 0.000 0.962 688 G CA 0.510 45.544 45.100 -0.111 0.000 0.943 688 G HN 0.358 nan 8.290 nan 0.000 0.514 689 L N -2.104 119.014 121.223 -0.175 0.000 2.298 689 L HA 0.286 4.626 4.340 0.001 0.000 0.209 689 L C 0.819 177.610 176.870 -0.132 0.000 1.084 689 L CA 0.472 55.189 54.840 -0.205 0.000 0.816 689 L CB 0.090 41.947 42.059 -0.337 0.000 0.967 689 L HN 0.173 nan 8.230 nan 0.000 0.460 690 V N -0.614 119.218 119.914 -0.136 0.000 3.012 690 V HA 0.330 4.450 4.120 0.001 0.000 0.307 690 V C -0.884 175.177 176.094 -0.055 0.000 1.166 690 V CA -0.862 61.430 62.300 -0.013 0.000 0.974 690 V CB 2.872 34.715 31.823 0.033 0.000 1.040 690 V HN 0.052 nan 8.190 nan 0.000 0.428 691 E N 1.285 121.539 120.200 0.089 0.000 2.263 691 E HA 0.478 4.829 4.350 0.001 0.000 0.264 691 E C -1.512 175.220 176.600 0.220 0.000 0.923 691 E CA -0.803 55.636 56.400 0.066 0.000 0.802 691 E CB 2.557 32.335 29.700 0.131 0.000 1.228 691 E HN 0.695 nan 8.360 nan 0.000 0.417 692 Y N 1.910 122.257 120.300 0.078 0.000 2.691 692 Y HA 0.235 4.785 4.550 0.000 0.000 0.338 692 Y C 0.196 176.103 175.900 0.011 0.000 1.148 692 Y CA -0.690 57.472 58.100 0.103 0.000 1.430 692 Y CB 0.146 38.550 38.460 -0.094 0.000 1.303 692 Y HN 0.234 nan 8.280 nan 0.000 0.499 693 I N 3.208 123.908 120.570 0.217 0.000 2.471 693 I HA -0.083 4.087 4.170 0.001 0.000 0.294 693 I C 0.670 176.876 176.117 0.148 0.000 1.123 693 I CA 0.264 61.617 61.300 0.089 0.000 1.336 693 I CB -0.066 37.930 38.000 -0.007 0.000 1.430 693 I HN 0.606 nan 8.210 nan 0.000 0.533 694 D N 4.857 125.319 120.400 0.102 0.000 2.335 694 D HA 0.068 4.708 4.640 0.001 0.000 0.236 694 D C 1.163 177.546 176.300 0.139 0.000 1.297 694 D CA 0.645 54.727 54.000 0.137 0.000 0.906 694 D CB 0.977 41.835 40.800 0.095 0.000 1.164 694 D HN 0.558 nan 8.370 nan 0.000 0.469 695 A N 0.711 123.613 122.820 0.137 0.000 1.855 695 A HA -0.069 4.251 4.320 0.001 0.000 0.213 695 A C 1.970 179.665 177.584 0.186 0.000 1.195 695 A CA 1.537 53.669 52.037 0.158 0.000 0.610 695 A CB -0.934 18.135 19.000 0.115 0.000 0.837 695 A HN 0.701 nan 8.150 nan 0.000 0.444 696 E N 0.204 120.504 120.200 0.166 0.000 2.033 696 E HA -0.253 4.098 4.350 0.001 0.000 0.199 696 E C 1.942 178.599 176.600 0.095 0.000 1.011 696 E CA 2.003 58.484 56.400 0.134 0.000 0.815 696 E CB -0.355 29.465 29.700 0.201 0.000 0.755 696 E HN 0.655 nan 8.360 nan 0.000 0.451 697 E N -0.028 120.209 120.200 0.063 0.000 2.130 697 E HA -0.307 4.043 4.350 0.001 0.000 0.196 697 E C 2.050 178.665 176.600 0.025 0.000 0.998 697 E CA 1.465 57.875 56.400 0.016 0.000 0.806 697 E CB -0.177 29.521 29.700 -0.003 0.000 0.738 697 E HN 0.393 nan 8.360 nan 0.000 0.459 698 E N 0.260 120.491 120.200 0.052 0.000 2.130 698 E HA -0.266 4.084 4.350 0.001 0.000 0.196 698 E C 1.890 178.521 176.600 0.053 0.000 0.998 698 E CA 1.181 57.606 56.400 0.042 0.000 0.806 698 E CB 0.038 29.794 29.700 0.093 0.000 0.738 698 E HN 0.191 nan 8.360 nan 0.000 0.459 699 E N 0.237 120.496 120.200 0.098 0.000 2.253 699 E HA -0.170 4.180 4.350 0.001 0.000 0.202 699 E C 1.058 177.690 176.600 0.054 0.000 1.014 699 E CA 1.373 57.835 56.400 0.102 0.000 0.823 699 E CB -0.150 29.641 29.700 0.153 0.000 0.736 699 E HN 0.255 nan 8.360 nan 0.000 0.478 700 S N 0.028 115.750 115.700 0.036 0.000 2.460 700 S HA 0.477 4.947 4.470 0.001 0.000 0.211 700 S C 0.443 175.061 174.600 0.031 0.000 1.312 700 S CA -0.727 57.489 58.200 0.027 0.000 1.256 700 S CB -0.856 62.357 63.200 0.022 0.000 1.086 700 S HN 0.264 nan 8.310 nan 0.000 0.507 701 I N -2.743 117.843 120.570 0.028 0.000 3.298 701 I HA 0.795 4.966 4.170 0.001 0.000 0.315 701 I C -2.332 173.809 176.117 0.040 0.000 1.293 701 I CA -1.711 59.625 61.300 0.060 0.000 0.926 701 I CB 1.651 39.678 38.000 0.044 0.000 1.321 701 I HN 0.185 nan 8.210 nan 0.000 0.487 702 L N 2.270 123.544 121.223 0.085 0.000 2.464 702 L HA 0.697 5.037 4.340 0.001 0.000 0.266 702 L C -1.507 175.467 176.870 0.173 0.000 0.965 702 L CA -0.255 54.603 54.840 0.030 0.000 0.833 702 L CB 1.882 43.880 42.059 -0.103 0.000 1.296 702 L HN 0.557 nan 8.230 nan 0.000 0.405 703 I N 3.787 124.459 120.570 0.170 0.000 2.509 703 I HA 0.701 4.872 4.170 0.001 0.000 0.293 703 I C -0.043 176.299 176.117 0.374 0.000 1.020 703 I CA -0.863 60.599 61.300 0.269 0.000 1.088 703 I CB 2.099 40.179 38.000 0.134 0.000 1.267 703 I HN 0.739 nan 8.210 nan 0.000 0.430 704 A N 5.514 128.545 122.820 0.352 0.000 2.320 704 A HA 0.437 4.757 4.320 0.001 0.000 0.287 704 A C 0.562 178.178 177.584 0.053 0.000 1.181 704 A CA -0.420 51.700 52.037 0.139 0.000 0.831 704 A CB 0.854 19.600 19.000 -0.423 0.000 1.102 704 A HN 0.816 nan 8.150 nan 0.000 0.513 705 M N 1.992 121.616 119.600 0.041 0.000 2.970 705 M HA -0.084 4.396 4.480 0.001 0.000 0.284 705 M C 0.854 177.132 176.300 -0.037 0.000 1.084 705 M CA 1.863 57.155 55.300 -0.013 0.000 1.072 705 M CB -0.768 31.804 32.600 -0.046 0.000 1.177 705 M HN 0.747 nan 8.290 nan 0.000 0.546 706 Q N 1.590 121.361 119.800 -0.048 0.000 2.311 706 Q HA 0.103 4.443 4.340 0.001 0.000 0.272 706 Q C -1.839 174.148 176.000 -0.021 0.000 1.012 706 Q CA -0.971 54.813 55.803 -0.032 0.000 0.891 706 Q CB -0.135 28.589 28.738 -0.023 0.000 1.201 706 Q HN 0.331 nan 8.270 nan 0.000 0.391 707 P HA -0.326 nan 4.420 nan 0.000 0.202 707 P C 0.412 177.696 177.300 -0.027 0.000 1.121 707 P CA 1.673 64.800 63.100 0.044 0.000 0.939 707 P CB 0.111 31.896 31.700 0.141 0.000 0.761 708 E N 0.421 120.616 120.200 -0.008 0.000 1.905 708 E HA -0.267 4.084 4.350 0.001 0.000 0.218 708 E C 1.536 178.100 176.600 -0.060 0.000 0.928 708 E CA 1.275 57.658 56.400 -0.028 0.000 0.928 708 E CB -1.579 28.116 29.700 -0.009 0.000 0.815 708 E HN 0.156 nan 8.360 nan 0.000 0.590 709 D N 0.941 121.309 120.400 -0.054 0.000 4.408 709 D HA -0.281 4.359 4.640 0.001 0.000 0.497 709 D C 1.561 177.787 176.300 -0.123 0.000 1.446 709 D CA 2.365 56.317 54.000 -0.080 0.000 1.381 709 D CB -0.953 39.820 40.800 -0.045 0.000 0.329 709 D HN 0.348 nan 8.370 nan 0.000 0.833 710 L N 1.270 122.435 121.223 -0.097 0.000 2.974 710 L HA 0.008 4.348 4.340 0.001 0.000 0.250 710 L C 1.460 178.254 176.870 -0.128 0.000 1.376 710 L CA 0.311 55.108 54.840 -0.072 0.000 1.170 710 L CB -0.234 41.769 42.059 -0.092 0.000 1.577 710 L HN 0.090 nan 8.230 nan 0.000 0.429 711 E N -0.367 119.774 120.200 -0.099 0.000 3.762 711 E HA 0.228 4.578 4.350 0.001 0.000 0.198 711 E C -1.451 175.116 176.600 -0.056 0.000 1.298 711 E CA -0.076 56.311 56.400 -0.022 0.000 1.439 711 E CB -0.890 28.831 29.700 0.036 0.000 2.030 711 E HN 0.209 nan 8.360 nan 0.000 0.547 712 P HA 0.050 nan 4.420 nan 0.000 0.287 712 P C 0.132 177.346 177.300 -0.143 0.000 1.282 712 P CA 0.334 63.338 63.100 -0.160 0.000 0.804 712 P CB 0.432 32.061 31.700 -0.118 0.000 1.323 713 A N -0.588 122.175 122.820 -0.096 0.000 3.763 713 A HA 0.365 4.686 4.320 0.001 0.000 0.173 713 A C 0.673 178.236 177.584 -0.034 0.000 1.783 713 A CA 0.174 52.208 52.037 -0.005 0.000 1.617 713 A CB -0.371 18.631 19.000 0.004 0.000 1.579 713 A HN 0.722 nan 8.150 nan 0.000 0.614 714 E N -1.294 118.909 120.200 0.005 0.000 2.446 714 E HA 0.731 5.081 4.350 0.001 0.000 0.267 714 E C -0.625 175.973 176.600 -0.002 0.000 0.955 714 E CA -0.351 56.050 56.400 0.003 0.000 0.842 714 E CB 1.244 30.974 29.700 0.049 0.000 1.504 714 E HN 0.931 nan 8.360 nan 0.000 0.438 723 V N 0.742 120.669 119.914 0.021 0.000 3.766 723 V HA 0.070 4.190 4.120 0.001 0.000 0.286 723 V C 0.981 177.090 176.094 0.024 0.000 1.055 723 V CA 0.103 62.416 62.300 0.022 0.000 1.060 723 V CB 0.756 32.595 31.823 0.026 0.000 1.210 723 V HN 0.676 nan 8.190 nan 0.000 0.457 724 D N 1.779 122.195 120.400 0.028 0.000 2.295 724 D HA 0.181 4.821 4.640 0.001 0.000 0.248 724 D C -1.371 174.948 176.300 0.032 0.000 1.154 724 D CA -1.634 52.385 54.000 0.031 0.000 0.857 724 D CB 1.842 42.663 40.800 0.036 0.000 1.117 724 D HN 0.309 nan 8.370 nan 0.000 0.468 725 P HA -0.096 nan 4.420 nan 0.000 0.222 725 P C 0.828 178.147 177.300 0.032 0.000 1.147 725 P CA 0.545 63.662 63.100 0.028 0.000 0.790 725 P CB 0.415 32.129 31.700 0.024 0.000 0.780 726 A N 0.235 123.076 122.820 0.035 0.000 1.903 726 A HA 0.001 4.321 4.320 0.001 0.000 0.213 726 A C 1.412 179.026 177.584 0.050 0.000 1.185 726 A CA 0.520 52.581 52.037 0.040 0.000 0.628 726 A CB -0.619 18.404 19.000 0.039 0.000 0.830 726 A HN 0.155 nan 8.150 nan 0.000 0.446 727 K N 0.428 120.860 120.400 0.054 0.000 2.229 727 K HA 0.094 4.414 4.320 0.001 0.000 0.250 727 K C 1.050 177.687 176.600 0.062 0.000 1.016 727 K CA 0.157 56.482 56.287 0.065 0.000 0.866 727 K CB 0.275 32.812 32.500 0.062 0.000 1.028 727 K HN 0.580 nan 8.250 nan 0.000 0.514 728 R N 0.484 121.025 120.500 0.069 0.000 0.943 728 R HA 0.284 4.624 4.340 0.001 0.000 0.056 728 R C 0.172 176.502 176.300 0.050 0.000 0.484 728 R CA -0.020 56.116 56.100 0.061 0.000 2.133 728 R CB -0.148 30.190 30.300 0.064 0.000 0.539 728 R HN 0.472 nan 8.270 nan 0.000 0.790 729 I N 0.952 121.549 120.570 0.046 0.000 2.598 729 I HA 0.307 4.477 4.170 0.001 0.000 0.277 729 I C -0.800 175.340 176.117 0.037 0.000 1.179 729 I CA -0.368 60.956 61.300 0.040 0.000 1.081 729 I CB 1.911 39.932 38.000 0.036 0.000 1.272 729 I HN 0.455 nan 8.210 nan 0.000 0.471 730 R N 3.465 123.985 120.500 0.034 0.000 2.540 730 R HA 0.690 5.030 4.340 0.001 0.000 0.287 730 R C -0.192 176.124 176.300 0.027 0.000 0.980 730 R CA -0.858 55.257 56.100 0.025 0.000 0.966 730 R CB 2.490 32.800 30.300 0.017 0.000 1.106 730 R HN 0.222 nan 8.270 nan 0.000 0.480 731 V N 1.377 121.308 119.914 0.028 0.000 3.484 731 V HA -0.059 4.061 4.120 0.001 0.000 0.304 731 V C 0.919 176.999 176.094 -0.023 0.000 1.116 731 V CA 0.298 62.624 62.300 0.043 0.000 1.187 731 V CB 1.093 32.966 31.823 0.083 0.000 1.062 731 V HN 0.779 nan 8.190 nan 0.000 0.489 732 S N 0.442 116.037 115.700 -0.175 0.000 2.652 732 S HA 0.199 4.669 4.470 0.001 0.000 0.267 732 S C 0.592 174.975 174.600 -0.362 0.000 1.201 732 S CA -0.397 57.608 58.200 -0.325 0.000 0.996 732 S CB 0.131 63.004 63.200 -0.545 0.000 1.054 732 S HN 0.952 nan 8.310 nan 0.000 0.561 733 H N 0.587 119.468 119.070 -0.315 0.000 2.713 733 H HA 0.263 4.819 4.556 0.001 0.000 0.294 733 H C -0.109 175.238 175.328 0.031 0.000 1.366 733 H CA -0.447 55.561 56.048 -0.067 0.000 1.139 733 H CB -1.450 28.299 29.762 -0.021 0.000 1.487 733 H HN 0.419 nan 8.280 nan 0.000 0.504 734 H N 1.642 120.743 119.070 0.052 0.000 2.998 734 H HA 0.185 4.742 4.556 0.001 0.000 0.353 734 H C 1.355 176.672 175.328 -0.019 0.000 1.099 734 H CA 0.888 56.913 56.048 -0.038 0.000 1.393 734 H CB 0.470 30.194 29.762 -0.063 0.000 1.343 734 H HN 0.731 nan 8.280 nan 0.000 0.609 735 A N 1.730 124.588 122.820 0.064 0.000 6.421 735 A HA -0.255 4.065 4.320 0.001 0.000 0.320 735 A C 0.909 178.538 177.584 0.075 0.000 1.965 735 A CA 1.720 53.743 52.037 -0.023 0.000 0.917 735 A CB -1.476 17.421 19.000 -0.173 0.000 1.165 735 A HN 0.859 nan 8.150 nan 0.000 0.431 736 T N -1.160 113.421 114.554 0.045 0.000 3.412 736 T HA 0.194 4.544 4.350 0.001 0.000 0.305 736 T C 1.028 175.832 174.700 0.172 0.000 0.892 736 T CA 0.743 63.012 62.100 0.281 0.000 0.936 736 T CB -0.253 68.763 68.868 0.247 0.000 1.202 736 T HN 1.361 nan 8.240 nan 0.000 0.621 737 T N 0.841 115.366 114.554 -0.047 0.000 3.098 737 T HA 0.118 4.469 4.350 0.001 0.000 0.266 737 T C 0.722 175.423 174.700 0.002 0.000 1.145 737 T CA 0.026 62.102 62.100 -0.039 0.000 1.092 737 T CB -0.909 67.901 68.868 -0.097 0.000 0.908 737 T HN 0.341 nan 8.240 nan 0.000 0.526 738 F N 3.406 123.387 119.950 0.052 0.000 2.568 738 F HA -0.014 4.513 4.527 0.001 0.000 0.394 738 F C 2.020 177.844 175.800 0.040 0.000 1.032 738 F CA 0.565 58.598 58.000 0.056 0.000 1.242 738 F CB 0.115 39.151 39.000 0.060 0.000 0.966 738 F HN 0.180 nan 8.300 nan 0.000 0.560 739 T N -1.058 113.653 114.554 0.261 0.000 3.071 739 T HA 0.195 4.546 4.350 0.001 0.000 0.239 739 T C 0.230 174.881 174.700 -0.082 0.000 0.997 739 T CA 0.279 62.451 62.100 0.120 0.000 1.134 739 T CB -0.020 69.016 68.868 0.279 0.000 0.928 739 T HN 0.515 nan 8.240 nan 0.000 0.453 740 H N -0.703 118.457 119.070 0.150 0.000 2.927 740 H HA 0.825 5.382 4.556 0.001 0.000 0.316 740 H C -0.925 174.489 175.328 0.144 0.000 1.403 740 H CA -1.246 54.882 56.048 0.133 0.000 1.288 740 H CB 1.361 31.186 29.762 0.105 0.000 1.944 740 H HN 0.437 nan 8.280 nan 0.000 0.629 741 C N 0.235 119.685 119.300 0.250 0.000 3.086 741 C HA 0.452 4.913 4.460 0.001 0.000 0.311 741 C C -0.852 174.111 174.990 -0.045 0.000 1.260 741 C CA -0.483 58.616 59.018 0.134 0.000 1.426 741 C CB 1.224 29.073 27.740 0.181 0.000 1.826 741 C HN 0.880 nan 8.230 nan 0.000 0.474 742 E N 2.569 122.726 120.200 -0.070 0.000 2.316 742 E HA 0.275 4.625 4.350 0.001 0.000 0.275 742 E C 1.245 177.606 176.600 -0.398 0.000 1.029 742 E CA -0.217 56.084 56.400 -0.166 0.000 0.871 742 E CB 0.495 30.180 29.700 -0.024 0.000 1.022 742 E HN 0.470 nan 8.360 nan 0.000 0.418 743 I N 2.424 122.641 120.570 -0.589 0.000 2.127 743 I HA -0.168 4.003 4.170 0.001 0.000 0.241 743 I C 0.703 176.666 176.117 -0.258 0.000 1.075 743 I CA 1.635 62.536 61.300 -0.665 0.000 1.334 743 I CB -1.093 36.624 38.000 -0.471 0.000 1.040 743 I HN 0.581 nan 8.210 nan 0.000 0.405 744 H N -0.167 118.707 119.070 -0.327 0.000 3.153 744 H HA 0.198 4.755 4.556 0.001 0.000 0.323 744 H C -2.104 173.147 175.328 -0.128 0.000 1.096 744 H CA -0.880 55.005 56.048 -0.271 0.000 1.385 744 H CB 1.859 31.304 29.762 -0.528 0.000 2.027 744 H HN -0.278 nan 8.280 nan 0.000 0.499 745 P HA -0.191 nan 4.420 nan 0.000 0.216 745 P C 1.126 178.431 177.300 0.008 0.000 1.150 745 P CA 1.884 64.882 63.100 -0.170 0.000 0.837 745 P CB 0.112 31.572 31.700 -0.400 0.000 0.786 746 S N -1.209 114.608 115.700 0.194 0.000 2.512 746 S HA -0.120 4.351 4.470 0.001 0.000 0.253 746 S C 1.600 176.292 174.600 0.153 0.000 0.984 746 S CA 0.966 59.361 58.200 0.325 0.000 0.962 746 S CB -1.079 62.473 63.200 0.587 0.000 0.747 746 S HN 0.013 nan 8.310 nan 0.000 0.525 747 M N 1.135 120.753 119.600 0.031 0.000 2.495 747 M HA 0.348 4.828 4.480 0.001 0.000 0.237 747 M C 1.550 177.741 176.300 -0.182 0.000 1.131 747 M CA 0.033 55.295 55.300 -0.064 0.000 1.032 747 M CB -1.040 31.491 32.600 -0.117 0.000 1.513 747 M HN 0.532 nan 8.290 nan 0.000 0.488 748 I N -1.698 118.708 120.570 -0.272 0.000 2.617 748 I HA -0.010 4.160 4.170 0.001 0.000 0.256 748 I C 0.817 176.799 176.117 -0.225 0.000 1.167 748 I CA 0.200 61.249 61.300 -0.417 0.000 1.469 748 I CB -0.422 37.154 38.000 -0.707 0.000 1.098 748 I HN 0.003 nan 8.210 nan 0.000 0.436 749 L N 2.156 123.301 121.223 -0.129 0.000 2.439 749 L HA 0.393 4.734 4.340 0.001 0.000 0.269 749 L C 0.797 177.623 176.870 -0.073 0.000 1.179 749 L CA -0.172 54.618 54.840 -0.083 0.000 0.828 749 L CB 0.341 42.373 42.059 -0.046 0.000 1.106 749 L HN 0.158 nan 8.230 nan 0.000 0.467 750 G N 0.801 109.559 108.800 -0.071 0.000 2.461 750 G HA2 0.454 4.414 3.960 0.001 0.000 0.329 750 G HA3 0.454 4.414 3.960 0.001 0.000 0.329 750 G C 0.837 175.704 174.900 -0.054 0.000 1.170 750 G CA -0.658 44.407 45.100 -0.059 0.000 0.935 750 G HN 0.438 nan 8.290 nan 0.000 0.492 751 V N 1.765 121.651 119.914 -0.047 0.000 2.284 751 V HA -0.398 3.722 4.120 0.001 0.000 0.248 751 V C 3.338 179.396 176.094 -0.060 0.000 1.022 751 V CA 3.469 65.740 62.300 -0.049 0.000 1.073 751 V CB -1.650 30.150 31.823 -0.038 0.000 0.713 751 V HN 1.119 nan 8.190 nan 0.000 0.496 752 A N 0.236 123.026 122.820 -0.050 0.000 1.906 752 A HA -0.408 3.913 4.320 0.001 0.000 0.236 752 A C 2.430 179.965 177.584 -0.083 0.000 1.793 752 A CA 4.595 56.599 52.037 -0.055 0.000 0.813 752 A CB -1.657 17.317 19.000 -0.044 0.000 0.841 752 A HN 1.287 nan 8.150 nan 0.000 0.491 753 A N -1.527 121.247 122.820 -0.077 0.000 1.896 753 A HA -0.221 4.099 4.320 0.001 0.000 0.220 753 A C 2.370 179.890 177.584 -0.106 0.000 1.206 753 A CA 2.906 54.892 52.037 -0.084 0.000 0.647 753 A CB -1.379 17.578 19.000 -0.071 0.000 0.828 753 A HN 0.857 nan 8.150 nan 0.000 0.455 754 S N -0.473 115.168 115.700 -0.098 0.000 2.461 754 S HA -0.167 4.303 4.470 0.001 0.000 0.246 754 S C 1.444 175.938 174.600 -0.177 0.000 1.007 754 S CA 1.615 59.751 58.200 -0.106 0.000 0.976 754 S CB -0.577 62.575 63.200 -0.078 0.000 0.763 754 S HN 0.580 nan 8.310 nan 0.000 0.508 755 I N 0.552 120.987 120.570 -0.225 0.000 3.728 755 I HA 0.137 4.307 4.170 0.001 0.000 0.307 755 I C 0.123 176.058 176.117 -0.303 0.000 1.276 755 I CA 0.199 61.287 61.300 -0.353 0.000 1.285 755 I CB -0.058 37.672 38.000 -0.450 0.000 1.038 755 I HN 0.132 nan 8.210 nan 0.000 0.445 756 I N 4.599 125.033 120.570 -0.227 0.000 2.452 756 I HA 0.128 4.298 4.170 0.001 0.000 0.287 756 I C -2.037 173.942 176.117 -0.229 0.000 1.079 756 I CA -1.734 59.433 61.300 -0.222 0.000 1.387 756 I CB 0.183 38.093 38.000 -0.150 0.000 1.404 756 I HN -0.172 nan 8.210 nan 0.000 0.522 757 P HA 0.102 nan 4.420 nan 0.000 0.276 757 P C -0.275 176.946 177.300 -0.132 0.000 1.253 757 P CA -0.043 62.838 63.100 -0.365 0.000 0.766 757 P CB 0.251 31.756 31.700 -0.324 0.000 0.845 758 F N 2.231 122.219 119.950 0.063 0.000 3.074 758 F HA -0.175 4.352 4.527 0.001 0.000 0.287 758 F C -0.716 175.154 175.800 0.117 0.000 0.932 758 F CA -0.331 57.751 58.000 0.137 0.000 0.995 758 F CB -1.966 37.167 39.000 0.222 0.000 0.966 758 F HN 0.336 nan 8.300 nan 0.000 0.721 759 P HA -0.208 nan 4.420 nan 0.000 0.219 759 P C 0.681 177.998 177.300 0.029 0.000 1.144 759 P CA 2.115 65.246 63.100 0.053 0.000 0.806 759 P CB -0.082 31.586 31.700 -0.053 0.000 0.771 760 D N -0.985 119.378 120.400 -0.062 0.000 3.085 760 D HA -0.047 4.593 4.640 0.001 0.000 0.243 760 D C 0.478 176.637 176.300 -0.235 0.000 1.232 760 D CA -0.316 53.586 54.000 -0.163 0.000 0.913 760 D CB -0.950 39.627 40.800 -0.373 0.000 1.108 760 D HN 0.326 nan 8.370 nan 0.000 0.468 761 H N -0.763 118.354 119.070 0.078 0.000 3.651 761 H HA 0.124 4.680 4.556 0.001 0.000 0.269 761 H C -0.398 174.971 175.328 0.068 0.000 1.108 761 H CA -0.404 55.684 56.048 0.067 0.000 1.173 761 H CB 0.425 30.227 29.762 0.066 0.000 2.066 761 H HN 0.154 nan 8.280 nan 0.000 0.867 762 N N 1.032 119.838 118.700 0.177 0.000 2.402 762 N HA 0.111 4.851 4.740 0.001 0.000 0.294 762 N C -0.054 175.517 175.510 0.101 0.000 1.203 762 N CA -0.553 52.583 53.050 0.143 0.000 0.838 762 N CB 2.078 40.676 38.487 0.184 0.000 1.306 762 N HN 0.147 nan 8.380 nan 0.000 0.510 763 Q N 0.673 120.528 119.800 0.092 0.000 2.262 763 Q HA 0.002 4.343 4.340 0.001 0.000 0.272 763 Q C 1.114 177.151 176.000 0.062 0.000 1.076 763 Q CA 0.199 56.045 55.803 0.072 0.000 0.905 763 Q CB 0.532 29.316 28.738 0.076 0.000 1.182 763 Q HN 0.689 nan 8.270 nan 0.000 0.390 764 S N 5.236 120.962 115.700 0.043 0.000 2.426 764 S HA -0.192 4.279 4.470 0.001 0.000 0.253 764 S C -0.744 173.849 174.600 -0.013 0.000 1.104 764 S CA 2.126 60.338 58.200 0.022 0.000 1.158 764 S CB -0.772 62.437 63.200 0.015 0.000 1.043 764 S HN 0.850 nan 8.310 nan 0.000 0.443 765 P HA -0.068 nan 4.420 nan 0.000 0.221 765 P C 1.346 178.533 177.300 -0.188 0.000 1.150 765 P CA 0.796 63.815 63.100 -0.134 0.000 0.800 765 P CB -0.204 31.428 31.700 -0.113 0.000 0.787 766 R N 0.560 121.075 120.500 0.026 0.000 2.096 766 R HA -0.091 4.249 4.340 0.001 0.000 0.240 766 R C 1.908 178.270 176.300 0.104 0.000 1.139 766 R CA 1.094 57.307 56.100 0.189 0.000 0.952 766 R CB -1.412 29.017 30.300 0.216 0.000 0.854 766 R HN 0.286 nan 8.270 nan 0.000 0.436 767 N N -0.011 118.713 118.700 0.039 0.000 2.519 767 N HA -0.088 4.652 4.740 0.001 0.000 0.186 767 N C 1.287 176.765 175.510 -0.053 0.000 1.062 767 N CA 1.139 54.194 53.050 0.008 0.000 0.910 767 N CB -0.041 38.448 38.487 0.002 0.000 0.958 767 N HN 0.273 nan 8.380 nan 0.000 0.445 768 T N 0.101 114.569 114.554 -0.144 0.000 2.894 768 T HA -0.018 4.332 4.350 0.001 0.000 0.258 768 T C 1.488 176.087 174.700 -0.169 0.000 1.043 768 T CA 0.579 62.557 62.100 -0.203 0.000 1.141 768 T CB -0.253 68.419 68.868 -0.327 0.000 0.873 768 T HN 0.143 nan 8.240 nan 0.000 0.449 769 Y N 1.903 122.202 120.300 -0.002 0.000 2.053 769 Y HA -0.170 4.381 4.550 0.001 0.000 0.277 769 Y C 2.835 178.727 175.900 -0.014 0.000 1.159 769 Y CA 1.038 59.137 58.100 -0.003 0.000 1.125 769 Y CB -1.050 37.418 38.460 0.014 0.000 0.969 769 Y HN 0.101 nan 8.280 nan 0.000 0.492 770 Q N 0.191 120.078 119.800 0.145 0.000 2.248 770 Q HA -0.151 4.189 4.340 0.001 0.000 0.208 770 Q C 2.045 178.051 176.000 0.011 0.000 0.984 770 Q CA 1.842 57.674 55.803 0.048 0.000 0.875 770 Q CB -0.496 28.235 28.738 -0.011 0.000 0.910 770 Q HN 0.358 nan 8.270 nan 0.000 0.433 771 S N -1.130 114.568 115.700 -0.003 0.000 2.555 771 S HA 0.101 4.571 4.470 0.001 0.000 0.230 771 S C 1.341 175.935 174.600 -0.010 0.000 0.978 771 S CA 0.598 58.784 58.200 -0.024 0.000 0.934 771 S CB 0.071 63.241 63.200 -0.050 0.000 0.766 771 S HN 0.540 nan 8.310 nan 0.000 0.533 772 A N 0.672 123.501 122.820 0.014 0.000 2.026 772 A HA 0.361 4.681 4.320 0.001 0.000 0.201 772 A C 1.844 179.433 177.584 0.008 0.000 1.318 772 A CA -0.018 52.028 52.037 0.015 0.000 0.857 772 A CB -0.223 18.799 19.000 0.036 0.000 0.939 772 A HN 0.378 nan 8.150 nan 0.000 0.476 773 M N 0.037 119.647 119.600 0.017 0.000 2.296 773 M HA -0.034 4.446 4.480 0.001 0.000 0.265 773 M C 2.136 178.426 176.300 -0.016 0.000 1.064 773 M CA 1.341 56.630 55.300 -0.018 0.000 1.109 773 M CB -0.439 32.159 32.600 -0.002 0.000 1.396 773 M HN 0.493 nan 8.290 nan 0.000 0.430 774 G N 0.807 109.616 108.800 0.015 0.000 2.443 774 G HA2 -0.165 3.795 3.960 0.001 0.000 0.219 774 G HA3 -0.165 3.795 3.960 0.001 0.000 0.219 774 G C 1.511 176.452 174.900 0.068 0.000 1.131 774 G CA 0.463 45.593 45.100 0.050 0.000 0.775 774 G HN 0.417 nan 8.290 nan 0.000 0.547 775 K N -0.358 120.071 120.400 0.049 0.000 2.522 775 K HA 0.149 4.469 4.320 0.001 0.000 0.194 775 K C 1.677 178.303 176.600 0.043 0.000 1.026 775 K CA 0.147 56.493 56.287 0.098 0.000 1.119 775 K CB 0.300 32.843 32.500 0.071 0.000 0.856 775 K HN 0.327 nan 8.250 nan 0.000 0.513 776 Q N -0.688 119.062 119.800 -0.083 0.000 2.171 776 Q HA 0.198 4.538 4.340 0.001 0.000 0.250 776 Q C 0.067 175.908 176.000 -0.265 0.000 0.791 776 Q CA -0.153 55.481 55.803 -0.282 0.000 0.950 776 Q CB 0.929 29.482 28.738 -0.308 0.000 1.151 776 Q HN 0.236 nan 8.270 nan 0.000 0.480 777 A N 0.655 123.408 122.820 -0.112 0.000 2.262 777 A HA 0.417 4.738 4.320 0.001 0.000 0.273 777 A C 0.255 177.834 177.584 -0.009 0.000 1.202 777 A CA -0.104 51.897 52.037 -0.061 0.000 0.811 777 A CB 0.329 19.340 19.000 0.018 0.000 1.159 777 A HN 0.311 nan 8.150 nan 0.000 0.505 778 M N -1.912 117.712 119.600 0.039 0.000 2.799 778 M HA 0.605 5.086 4.480 0.001 0.000 0.274 778 M C 0.783 177.150 176.300 0.112 0.000 1.137 778 M CA 0.526 55.875 55.300 0.082 0.000 0.897 778 M CB 1.812 34.465 32.600 0.089 0.000 1.567 778 M HN 1.018 nan 8.290 nan 0.000 0.536 779 G N -0.632 108.227 108.800 0.097 0.000 2.600 779 G HA2 0.307 4.267 3.960 0.001 0.000 0.103 779 G HA3 0.307 4.267 3.960 0.001 0.000 0.103 779 G C -1.738 173.116 174.900 -0.077 0.000 1.090 779 G CA -0.446 44.676 45.100 0.038 0.000 1.090 779 G HN 0.560 nan 8.290 nan 0.000 0.500 780 V N 1.595 121.416 119.914 -0.154 0.000 2.939 780 V HA 0.243 4.363 4.120 0.001 0.000 0.320 780 V C 0.981 176.868 176.094 -0.344 0.000 1.101 780 V CA 0.206 62.255 62.300 -0.419 0.000 1.345 780 V CB -0.196 31.373 31.823 -0.423 0.000 1.079 780 V HN 1.094 nan 8.190 nan 0.000 0.549 781 F N 0.662 120.553 119.950 -0.099 0.000 2.214 781 F HA 0.047 4.574 4.527 0.000 0.000 0.302 781 F C 0.351 176.190 175.800 0.065 0.000 1.063 781 F CA 1.389 59.399 58.000 0.016 0.000 1.319 781 F CB -0.475 38.513 39.000 -0.021 0.000 1.046 781 F HN 0.263 nan 8.300 nan 0.000 0.505 782 L N -1.532 119.492 121.223 -0.332 0.000 2.775 782 L HA 0.246 4.586 4.340 0.001 0.000 0.263 782 L C 0.559 177.142 176.870 -0.479 0.000 1.017 782 L CA -0.150 54.583 54.840 -0.178 0.000 0.891 782 L CB 2.051 44.178 42.059 0.113 0.000 1.482 782 L HN -0.031 nan 8.230 nan 0.000 0.410 783 T N -3.533 110.812 114.554 -0.349 0.000 3.186 783 T HA 0.088 4.439 4.350 0.001 0.000 0.257 783 T C 0.494 175.101 174.700 -0.155 0.000 1.029 783 T CA 0.007 61.902 62.100 -0.342 0.000 0.916 783 T CB -0.542 68.100 68.868 -0.377 0.000 1.041 783 T HN 0.629 nan 8.240 nan 0.000 0.562 784 N N 0.826 119.467 118.700 -0.098 0.000 2.235 784 N HA 0.017 4.757 4.740 0.001 0.000 0.231 784 N C 1.302 176.844 175.510 0.053 0.000 1.177 784 N CA -0.651 52.379 53.050 -0.033 0.000 0.874 784 N CB -0.678 37.771 38.487 -0.064 0.000 1.097 784 N HN 0.734 nan 8.380 nan 0.000 0.518 785 Y N 0.276 120.390 120.300 -0.310 0.000 2.241 785 Y HA -0.042 4.509 4.550 0.001 0.000 0.286 785 Y C 1.492 177.212 175.900 -0.299 0.000 1.166 785 Y CA 0.496 58.406 58.100 -0.317 0.000 1.203 785 Y CB -0.782 37.335 38.460 -0.570 0.000 0.977 785 Y HN -0.101 nan 8.280 nan 0.000 0.529 786 N N 1.104 119.466 118.700 -0.564 0.000 2.258 786 N HA -0.127 4.614 4.740 0.001 0.000 0.187 786 N C 0.903 176.259 175.510 -0.257 0.000 1.012 786 N CA 1.816 54.534 53.050 -0.552 0.000 0.870 786 N CB -0.037 38.203 38.487 -0.410 0.000 0.977 786 N HN 0.399 nan 8.380 nan 0.000 0.434 787 V N 0.335 120.161 119.914 -0.147 0.000 2.988 787 V HA 0.258 4.378 4.120 0.001 0.000 0.356 787 V C 0.151 176.231 176.094 -0.024 0.000 1.380 787 V CA -0.168 62.088 62.300 -0.073 0.000 1.184 787 V CB 0.014 31.804 31.823 -0.054 0.000 1.204 787 V HN 0.056 nan 8.190 nan 0.000 0.530 788 R N 0.830 121.322 120.500 -0.013 0.000 2.360 788 R HA 0.550 4.890 4.340 0.001 0.000 0.318 788 R C -0.209 176.119 176.300 0.046 0.000 0.950 788 R CA -0.639 55.488 56.100 0.045 0.000 0.837 788 R CB 1.675 32.050 30.300 0.126 0.000 1.165 788 R HN 0.076 nan 8.270 nan 0.000 0.458 789 M N 2.932 122.562 119.600 0.049 0.000 2.854 789 M HA 0.064 4.544 4.480 0.001 0.000 0.251 789 M C -0.606 175.736 176.300 0.071 0.000 1.301 789 M CA -0.593 54.744 55.300 0.060 0.000 1.059 789 M CB -1.070 31.552 32.600 0.037 0.000 1.419 789 M HN 0.484 nan 8.290 nan 0.000 0.467 790 D N 0.608 121.048 120.400 0.066 0.000 2.425 790 D HA 0.050 4.690 4.640 0.001 0.000 0.247 790 D C 0.499 176.836 176.300 0.061 0.000 1.147 790 D CA -0.100 53.919 54.000 0.033 0.000 0.879 790 D CB 0.208 40.987 40.800 -0.034 0.000 1.179 790 D HN 0.246 nan 8.370 nan 0.000 0.456 791 T N 0.838 115.417 114.554 0.042 0.000 2.933 791 T HA 0.312 4.662 4.350 0.001 0.000 0.263 791 T C 0.683 175.414 174.700 0.052 0.000 0.925 791 T CA -0.805 61.325 62.100 0.051 0.000 1.156 791 T CB -0.766 68.114 68.868 0.020 0.000 0.916 791 T HN 0.637 nan 8.240 nan 0.000 0.601 792 M N 1.462 121.133 119.600 0.119 0.000 4.179 792 M HA 0.159 4.639 4.480 0.001 0.000 0.157 792 M C -1.079 175.245 176.300 0.041 0.000 1.512 792 M CA 0.699 56.052 55.300 0.089 0.000 1.104 792 M CB -1.072 31.531 32.600 0.006 0.000 1.328 792 M HN 1.774 nan 8.290 nan 0.000 0.190 793 A N 3.341 126.162 122.820 0.001 0.000 2.602 793 A HA 0.635 4.956 4.320 0.001 0.000 0.301 793 A C -2.028 175.651 177.584 0.159 0.000 0.972 793 A CA -0.720 51.386 52.037 0.113 0.000 0.704 793 A CB 0.933 20.116 19.000 0.306 0.000 1.264 793 A HN 0.834 nan 8.150 nan 0.000 0.410 794 N N 0.149 118.950 118.700 0.167 0.000 2.238 794 N HA 0.760 5.500 4.740 0.001 0.000 0.302 794 N C -1.535 174.095 175.510 0.199 0.000 1.072 794 N CA -0.344 52.823 53.050 0.195 0.000 0.792 794 N CB 1.873 40.402 38.487 0.070 0.000 1.425 794 N HN 0.476 nan 8.380 nan 0.000 0.478 795 I N 1.267 121.968 120.570 0.217 0.000 2.498 795 I HA 0.271 4.441 4.170 0.001 0.000 0.290 795 I C -0.471 175.735 176.117 0.149 0.000 1.032 795 I CA -0.640 60.706 61.300 0.077 0.000 1.073 795 I CB 1.825 39.804 38.000 -0.036 0.000 1.251 795 I HN 0.378 nan 8.210 nan 0.000 0.426 796 L N 6.864 128.161 121.223 0.124 0.000 2.410 796 L HA 0.192 4.532 4.340 0.001 0.000 0.273 796 L C 0.579 177.609 176.870 0.266 0.000 1.144 796 L CA 0.606 55.577 54.840 0.218 0.000 0.863 796 L CB 0.068 42.241 42.059 0.191 0.000 1.140 796 L HN 0.523 nan 8.230 nan 0.000 0.463 797 Y N 4.526 124.950 120.300 0.207 0.000 1.940 797 Y HA -0.290 4.260 4.550 0.001 0.000 0.250 797 Y C 0.356 176.537 175.900 0.468 0.000 1.132 797 Y CA 2.215 60.514 58.100 0.332 0.000 1.079 797 Y CB -0.429 38.214 38.460 0.304 0.000 0.940 797 Y HN 0.476 nan 8.280 nan 0.000 0.490 798 Y N 1.084 121.502 120.300 0.197 0.000 2.854 798 Y HA 0.313 4.864 4.550 0.001 0.000 0.330 798 Y C -2.317 173.592 175.900 0.015 0.000 1.037 798 Y CA -3.037 55.106 58.100 0.071 0.000 1.263 798 Y CB 0.200 38.682 38.460 0.037 0.000 1.120 798 Y HN -0.006 nan 8.280 nan 0.000 0.532 799 P HA 0.129 nan 4.420 nan 0.000 0.275 799 P C -0.840 176.496 177.300 0.060 0.000 1.228 799 P CA -0.234 62.908 63.100 0.070 0.000 0.786 799 P CB 0.922 32.622 31.700 0.000 0.000 0.927 800 Q N 1.016 120.874 119.800 0.096 0.000 2.365 800 Q HA 0.312 4.652 4.340 0.001 0.000 0.269 800 Q C -0.220 175.854 176.000 0.123 0.000 1.061 800 Q CA -1.123 54.738 55.803 0.098 0.000 0.816 800 Q CB 2.319 31.130 28.738 0.121 0.000 1.325 800 Q HN 0.402 nan 8.270 nan 0.000 0.446 801 K N 1.311 121.719 120.400 0.013 0.000 2.237 801 K HA 0.416 4.737 4.320 0.001 0.000 0.270 801 K C -2.390 174.125 176.600 -0.142 0.000 1.015 801 K CA -1.509 54.741 56.287 -0.063 0.000 0.949 801 K CB 0.276 32.733 32.500 -0.073 0.000 0.976 801 K HN 0.195 nan 8.250 nan 0.000 0.472 802 P HA -0.057 nan 4.420 nan 0.000 0.271 802 P C 0.212 177.358 177.300 -0.256 0.000 1.233 802 P CA -0.220 62.478 63.100 -0.670 0.000 0.789 802 P CB 0.771 31.889 31.700 -0.970 0.000 0.951 803 L N 0.523 121.646 121.223 -0.167 0.000 2.115 803 L HA 0.158 4.498 4.340 0.001 0.000 0.200 803 L C 1.747 178.556 176.870 -0.101 0.000 1.094 803 L CA 1.036 55.824 54.840 -0.087 0.000 0.769 803 L CB -1.271 40.766 42.059 -0.037 0.000 0.931 803 L HN 0.456 nan 8.230 nan 0.000 0.455 804 G N 0.276 109.014 108.800 -0.104 0.000 2.406 804 G HA2 0.405 4.366 3.960 0.001 0.000 0.251 804 G HA3 0.405 4.366 3.960 0.001 0.000 0.251 804 G C -0.243 174.532 174.900 -0.209 0.000 1.271 804 G CA 0.248 45.270 45.100 -0.129 0.000 0.859 804 G HN 0.323 nan 8.290 nan 0.000 0.540 805 T N -1.510 112.918 114.554 -0.210 0.000 2.754 805 T HA 0.734 5.084 4.350 0.001 0.000 0.296 805 T C -0.322 174.240 174.700 -0.229 0.000 1.205 805 T CA -0.763 61.201 62.100 -0.227 0.000 1.009 805 T CB 1.942 70.710 68.868 -0.166 0.000 1.368 805 T HN 0.422 nan 8.240 nan 0.000 0.509 806 T N 0.951 115.375 114.554 -0.218 0.000 2.918 806 T HA 0.455 4.805 4.350 0.001 0.000 0.286 806 T C 1.173 175.750 174.700 -0.205 0.000 1.026 806 T CA -1.029 60.958 62.100 -0.189 0.000 1.031 806 T CB 1.691 70.456 68.868 -0.172 0.000 1.046 806 T HN 0.541 nan 8.240 nan 0.000 0.479 807 R N 1.226 121.552 120.500 -0.290 0.000 2.189 807 R HA 0.018 4.358 4.340 0.001 0.000 0.223 807 R C 2.212 178.290 176.300 -0.371 0.000 1.092 807 R CA 0.898 56.661 56.100 -0.561 0.000 0.989 807 R CB -1.043 28.447 30.300 -1.351 0.000 0.876 807 R HN 0.697 nan 8.270 nan 0.000 0.457 808 A N 1.580 124.265 122.820 -0.226 0.000 1.930 808 A HA -0.107 4.213 4.320 0.001 0.000 0.217 808 A C 2.285 179.895 177.584 0.044 0.000 1.175 808 A CA 1.146 53.143 52.037 -0.066 0.000 0.627 808 A CB -0.373 18.603 19.000 -0.040 0.000 0.815 808 A HN 0.180 nan 8.150 nan 0.000 0.443 809 M N -0.748 118.823 119.600 -0.048 0.000 2.106 809 M HA -0.236 4.245 4.480 0.001 0.000 0.259 809 M C 2.061 178.390 176.300 0.049 0.000 1.068 809 M CA 2.059 57.344 55.300 -0.026 0.000 1.100 809 M CB -0.786 31.759 32.600 -0.091 0.000 1.351 809 M HN 0.629 nan 8.290 nan 0.000 0.404 810 E N 0.688 120.887 120.200 -0.002 0.000 2.136 810 E HA -0.262 4.088 4.350 0.001 0.000 0.208 810 E C 1.639 178.117 176.600 -0.203 0.000 1.035 810 E CA 2.267 58.574 56.400 -0.155 0.000 0.838 810 E CB -0.136 29.348 29.700 -0.360 0.000 0.748 810 E HN 0.664 nan 8.360 nan 0.000 0.459 811 Y N -0.458 119.767 120.300 -0.125 0.000 2.490 811 Y HA 0.112 4.662 4.550 0.001 0.000 0.285 811 Y C 1.967 177.731 175.900 -0.227 0.000 1.117 811 Y CA 0.274 58.246 58.100 -0.212 0.000 1.262 811 Y CB -0.064 38.175 38.460 -0.368 0.000 1.043 811 Y HN 0.026 nan 8.280 nan 0.000 0.553 812 L N 0.294 121.549 121.223 0.052 0.000 2.610 812 L HA -0.010 4.331 4.340 0.001 0.000 0.232 812 L C 0.047 177.066 176.870 0.248 0.000 1.149 812 L CA 0.301 55.201 54.840 0.100 0.000 0.872 812 L CB -0.268 41.844 42.059 0.088 0.000 0.992 812 L HN 0.026 nan 8.230 nan 0.000 0.447 813 K N -0.364 120.108 120.400 0.120 0.000 4.868 813 K HA -0.250 4.071 4.320 0.001 0.000 0.324 813 K C -0.008 176.679 176.600 0.145 0.000 0.971 813 K CA 0.571 56.887 56.287 0.049 0.000 1.034 813 K CB -1.747 30.681 32.500 -0.119 0.000 1.672 813 K HN 0.155 nan 8.250 nan 0.000 0.426 814 F N 0.747 120.689 119.950 -0.014 0.000 2.532 814 F HA 0.148 4.676 4.527 0.001 0.000 0.276 814 F C 2.008 177.785 175.800 -0.038 0.000 0.911 814 F CA 0.337 58.332 58.000 -0.008 0.000 1.196 814 F CB 0.075 39.066 39.000 -0.015 0.000 1.087 814 F HN 0.234 nan 8.300 nan 0.000 0.775 815 R N 0.538 121.083 120.500 0.075 0.000 2.316 815 R HA -0.176 4.164 4.340 0.001 0.000 0.232 815 R C 1.171 177.410 176.300 -0.101 0.000 1.137 815 R CA 1.721 57.801 56.100 -0.033 0.000 1.012 815 R CB -0.405 29.886 30.300 -0.014 0.000 0.859 815 R HN 0.391 nan 8.270 nan 0.000 0.474 816 E N -0.160 119.985 120.200 -0.092 0.000 2.276 816 E HA 0.100 4.450 4.350 0.001 0.000 0.193 816 E C 0.297 176.732 176.600 -0.275 0.000 0.983 816 E CA 0.575 56.907 56.400 -0.114 0.000 0.861 816 E CB 0.542 30.313 29.700 0.120 0.000 0.817 816 E HN 0.148 nan 8.360 nan 0.000 0.485 817 L N 2.004 123.028 121.223 -0.332 0.000 2.625 817 L HA 0.352 4.692 4.340 0.001 0.000 0.255 817 L C -2.411 174.138 176.870 -0.534 0.000 1.493 817 L CA -1.648 52.954 54.840 -0.397 0.000 0.796 817 L CB 0.977 42.792 42.059 -0.406 0.000 1.064 817 L HN -0.043 nan 8.230 nan 0.000 0.516 818 P HA 0.042 nan 4.420 nan 0.000 0.274 818 P C 0.114 177.210 177.300 -0.339 0.000 1.264 818 P CA -0.133 62.477 63.100 -0.818 0.000 0.795 818 P CB 1.415 32.933 31.700 -0.303 0.000 1.064 819 A N -1.057 121.766 122.820 0.005 0.000 2.594 819 A HA 0.623 4.943 4.320 0.001 0.000 0.292 819 A C 0.442 178.101 177.584 0.126 0.000 1.026 819 A CA 0.412 52.538 52.037 0.149 0.000 0.983 819 A CB -0.196 18.974 19.000 0.283 0.000 1.233 819 A HN 0.771 nan 8.150 nan 0.000 0.519 820 G N -0.652 108.197 108.800 0.083 0.000 2.364 820 G HA2 0.516 4.477 3.960 0.001 0.000 0.286 820 G HA3 0.516 4.477 3.960 0.001 0.000 0.286 820 G C -1.870 172.962 174.900 -0.114 0.000 1.241 820 G CA -0.480 44.522 45.100 -0.163 0.000 0.887 820 G HN 0.342 nan 8.290 nan 0.000 0.484 821 Q N -0.301 119.348 119.800 -0.252 0.000 2.418 821 Q HA 0.379 4.719 4.340 0.001 0.000 0.282 821 Q C -1.470 174.601 176.000 0.118 0.000 1.044 821 Q CA -1.146 54.651 55.803 -0.009 0.000 0.813 821 Q CB 2.214 30.770 28.738 -0.304 0.000 1.428 821 Q HN 0.496 nan 8.270 nan 0.000 0.402 822 N N 0.922 119.777 118.700 0.258 0.000 2.406 822 N HA 0.433 5.173 4.740 0.001 0.000 0.251 822 N C -1.152 174.422 175.510 0.107 0.000 1.069 822 N CA -0.068 53.134 53.050 0.253 0.000 0.947 822 N CB 1.381 39.983 38.487 0.192 0.000 1.111 822 N HN 0.577 nan 8.380 nan 0.000 0.497 823 A N 2.740 125.648 122.820 0.147 0.000 2.330 823 A HA 0.464 4.784 4.320 0.001 0.000 0.327 823 A C 0.325 177.983 177.584 0.124 0.000 1.155 823 A CA -0.807 51.282 52.037 0.087 0.000 0.803 823 A CB 0.700 19.760 19.000 0.099 0.000 1.208 823 A HN 0.541 nan 8.150 nan 0.000 0.477 824 I N 3.288 123.917 120.570 0.098 0.000 2.573 824 I HA 0.039 4.209 4.170 0.001 0.000 0.295 824 I C 0.182 176.470 176.117 0.284 0.000 1.141 824 I CA 0.344 61.744 61.300 0.167 0.000 1.364 824 I CB -0.682 37.406 38.000 0.147 0.000 1.447 824 I HN 0.194 nan 8.210 nan 0.000 0.571 825 V N 6.483 126.556 119.914 0.264 0.000 2.461 825 V HA 0.518 4.638 4.120 0.001 0.000 0.275 825 V C 0.647 176.850 176.094 0.182 0.000 1.047 825 V CA -0.481 61.943 62.300 0.208 0.000 0.955 825 V CB 1.509 33.508 31.823 0.292 0.000 0.988 825 V HN 0.856 nan 8.190 nan 0.000 0.471 826 A N 7.166 129.941 122.820 -0.074 0.000 2.273 826 A HA 0.726 5.047 4.320 0.001 0.000 0.315 826 A C -0.502 176.995 177.584 -0.145 0.000 1.256 826 A CA -0.536 51.322 52.037 -0.297 0.000 0.851 826 A CB 0.424 18.985 19.000 -0.732 0.000 1.172 826 A HN 0.769 nan 8.150 nan 0.000 0.508 827 I N 2.423 122.960 120.570 -0.055 0.000 2.312 827 I HA 0.548 4.719 4.170 0.001 0.000 0.291 827 I C 0.510 176.545 176.117 -0.137 0.000 1.031 827 I CA 0.419 61.694 61.300 -0.043 0.000 1.293 827 I CB 1.002 39.023 38.000 0.036 0.000 1.403 827 I HN 0.841 nan 8.210 nan 0.000 0.484 828 A N 5.012 127.738 122.820 -0.156 0.000 2.583 828 A HA 0.382 4.703 4.320 0.001 0.000 0.300 828 A C -0.927 176.568 177.584 -0.148 0.000 0.966 828 A CA -0.789 51.137 52.037 -0.185 0.000 0.673 828 A CB 0.075 18.923 19.000 -0.253 0.000 1.297 828 A HN 0.667 nan 8.150 nan 0.000 0.418 829 C N 1.202 120.429 119.300 -0.122 0.000 2.534 829 C HA 0.769 5.229 4.460 0.001 0.000 0.385 829 C C 0.817 175.850 174.990 0.073 0.000 1.264 829 C CA 0.065 59.063 59.018 -0.034 0.000 2.342 829 C CB 0.325 28.040 27.740 -0.041 0.000 2.564 829 C HN 0.896 nan 8.230 nan 0.000 0.603 830 Y N 0.617 120.888 120.300 -0.048 0.000 2.610 830 Y HA 0.104 4.655 4.550 0.001 0.000 0.102 830 Y C 2.309 178.203 175.900 -0.010 0.000 0.950 830 Y CA 0.832 58.886 58.100 -0.077 0.000 1.839 830 Y CB -0.817 37.566 38.460 -0.128 0.000 1.162 830 Y HN 0.591 nan 8.280 nan 0.000 0.205 831 S N 0.140 115.897 115.700 0.096 0.000 2.489 831 S HA 0.266 4.736 4.470 0.001 0.000 0.228 831 S C 1.508 176.307 174.600 0.333 0.000 0.995 831 S CA 0.926 59.219 58.200 0.156 0.000 0.934 831 S CB 0.009 63.369 63.200 0.266 0.000 0.771 831 S HN 1.432 nan 8.310 nan 0.000 0.522 832 G N -0.014 108.951 108.800 0.275 0.000 2.132 832 G HA2 -0.263 3.697 3.960 0.001 0.000 0.234 832 G HA3 -0.263 3.697 3.960 0.001 0.000 0.234 832 G C 0.226 175.180 174.900 0.089 0.000 0.989 832 G CA 0.336 45.527 45.100 0.151 0.000 0.676 832 G HN 0.515 nan 8.290 nan 0.000 0.522 833 Y N 1.081 121.434 120.300 0.089 0.000 2.476 833 Y HA 0.082 4.633 4.550 0.001 0.000 0.283 833 Y C 2.428 178.365 175.900 0.062 0.000 1.109 833 Y CA 1.027 59.171 58.100 0.073 0.000 1.246 833 Y CB -0.003 38.510 38.460 0.089 0.000 1.068 833 Y HN 0.507 nan 8.280 nan 0.000 0.552 834 N N 0.602 119.427 118.700 0.209 0.000 2.515 834 N HA -0.128 4.613 4.740 0.001 0.000 0.185 834 N C 0.440 175.994 175.510 0.072 0.000 1.109 834 N CA 0.181 53.303 53.050 0.121 0.000 0.903 834 N CB -0.370 38.175 38.487 0.096 0.000 0.969 834 N HN 0.375 nan 8.380 nan 0.000 0.450 835 Q N 1.147 120.986 119.800 0.064 0.000 2.304 835 Q HA -0.080 4.260 4.340 0.001 0.000 0.301 835 Q C -0.481 175.544 176.000 0.043 0.000 1.063 835 Q CA 0.604 56.440 55.803 0.055 0.000 0.947 835 Q CB 0.199 28.952 28.738 0.026 0.000 1.201 835 Q HN 0.205 nan 8.270 nan 0.000 0.389 836 E N 3.484 123.721 120.200 0.062 0.000 2.257 836 E HA -0.297 4.053 4.350 0.001 0.000 0.217 836 E C -1.133 175.485 176.600 0.029 0.000 1.248 836 E CA 0.856 57.279 56.400 0.038 0.000 0.691 836 E CB -1.182 28.524 29.700 0.011 0.000 1.185 836 E HN 0.955 nan 8.360 nan 0.000 0.377 837 D N -0.358 120.064 120.400 0.038 0.000 2.828 837 D HA -0.161 4.480 4.640 0.001 0.000 0.241 837 D C -0.791 175.533 176.300 0.040 0.000 1.142 837 D CA 1.696 55.717 54.000 0.035 0.000 0.755 837 D CB -1.113 39.698 40.800 0.018 0.000 1.014 837 D HN 0.458 nan 8.370 nan 0.000 0.420 838 S N -0.554 115.175 115.700 0.048 0.000 2.570 838 S HA 0.543 5.013 4.470 0.001 0.000 0.286 838 S C -0.193 174.443 174.600 0.061 0.000 1.143 838 S CA -1.180 57.053 58.200 0.056 0.000 0.921 838 S CB 2.411 65.641 63.200 0.050 0.000 1.108 838 S HN 0.255 nan 8.310 nan 0.000 0.456 839 M N 1.841 121.472 119.600 0.051 0.000 2.753 839 M HA 0.691 5.171 4.480 0.001 0.000 0.299 839 M C -1.071 175.265 176.300 0.059 0.000 1.219 839 M CA -0.798 54.522 55.300 0.032 0.000 0.900 839 M CB 0.273 32.842 32.600 -0.052 0.000 1.628 839 M HN 0.717 nan 8.290 nan 0.000 0.502 840 I N 1.501 122.114 120.570 0.071 0.000 2.392 840 I HA 0.464 4.634 4.170 0.001 0.000 0.295 840 I C -0.441 175.704 176.117 0.046 0.000 0.985 840 I CA -0.378 60.994 61.300 0.119 0.000 1.221 840 I CB 1.750 39.895 38.000 0.241 0.000 1.366 840 I HN 0.701 nan 8.210 nan 0.000 0.467 841 M N 5.850 125.467 119.600 0.027 0.000 2.197 841 M HA 0.342 4.822 4.480 0.001 0.000 0.301 841 M C -0.623 175.692 176.300 0.025 0.000 0.987 841 M CA -0.726 54.562 55.300 -0.021 0.000 0.921 841 M CB 1.380 33.925 32.600 -0.092 0.000 1.569 841 M HN 0.512 nan 8.290 nan 0.000 0.431 842 N N 3.271 121.993 118.700 0.036 0.000 2.315 842 N HA -0.134 4.607 4.740 0.001 0.000 0.270 842 N C 0.505 176.032 175.510 0.028 0.000 1.329 842 N CA 0.673 53.757 53.050 0.057 0.000 0.860 842 N CB 0.845 39.356 38.487 0.041 0.000 1.095 842 N HN 0.708 nan 8.380 nan 0.000 0.487 843 Q N 2.771 122.592 119.800 0.035 0.000 2.049 843 Q HA -0.029 4.311 4.340 0.001 0.000 0.198 843 Q C 1.705 177.705 176.000 -0.001 0.000 0.971 843 Q CA 1.572 57.378 55.803 0.006 0.000 0.833 843 Q CB -0.599 28.137 28.738 -0.004 0.000 0.896 843 Q HN 0.670 nan 8.270 nan 0.000 0.434 844 S N -0.123 115.585 115.700 0.014 0.000 2.378 844 S HA -0.243 4.228 4.470 0.001 0.000 0.229 844 S C 1.910 176.499 174.600 -0.018 0.000 1.052 844 S CA 2.117 60.319 58.200 0.002 0.000 1.084 844 S CB -0.677 62.533 63.200 0.017 0.000 0.950 844 S HN 0.748 nan 8.310 nan 0.000 0.440 845 S N 0.919 116.610 115.700 -0.016 0.000 2.419 845 S HA 0.008 4.478 4.470 0.001 0.000 0.233 845 S C 1.759 176.317 174.600 -0.070 0.000 1.016 845 S CA 1.111 59.286 58.200 -0.042 0.000 0.974 845 S CB -0.695 62.485 63.200 -0.033 0.000 0.786 845 S HN 0.586 nan 8.310 nan 0.000 0.492 846 I N 1.983 122.523 120.570 -0.050 0.000 2.315 846 I HA -0.143 4.027 4.170 0.001 0.000 0.248 846 I C 2.112 178.174 176.117 -0.092 0.000 1.117 846 I CA 1.360 62.626 61.300 -0.056 0.000 1.404 846 I CB -0.533 37.455 38.000 -0.019 0.000 1.071 846 I HN 0.203 nan 8.210 nan 0.000 0.419 847 D N 1.215 121.570 120.400 -0.074 0.000 2.087 847 D HA -0.161 4.480 4.640 0.001 0.000 0.192 847 D C 2.078 178.307 176.300 -0.117 0.000 0.993 847 D CA 1.227 55.178 54.000 -0.081 0.000 0.828 847 D CB -0.293 40.475 40.800 -0.053 0.000 0.968 847 D HN 0.193 nan 8.370 nan 0.000 0.448 848 R N -0.298 120.136 120.500 -0.110 0.000 2.397 848 R HA 0.047 4.387 4.340 0.001 0.000 0.213 848 R C 1.145 177.304 176.300 -0.234 0.000 1.102 848 R CA 0.773 56.795 56.100 -0.131 0.000 1.040 848 R CB -0.218 30.024 30.300 -0.098 0.000 0.844 848 R HN 0.310 nan 8.270 nan 0.000 0.478 849 G N 0.543 109.180 108.800 -0.270 0.000 2.163 849 G HA2 -0.230 3.730 3.960 0.001 0.000 0.213 849 G HA3 -0.230 3.730 3.960 0.001 0.000 0.213 849 G C -0.065 174.606 174.900 -0.382 0.000 0.991 849 G CA -0.336 44.508 45.100 -0.428 0.000 0.653 849 G HN 0.227 nan 8.290 nan 0.000 0.518 850 L N 0.792 121.861 121.223 -0.255 0.000 2.578 850 L HA 0.538 4.879 4.340 0.001 0.000 0.279 850 L C 1.317 178.126 176.870 -0.102 0.000 1.227 850 L CA 0.772 55.466 54.840 -0.244 0.000 0.900 850 L CB -1.031 40.926 42.059 -0.170 0.000 1.144 850 L HN 0.696 nan 8.230 nan 0.000 0.496 851 F N 2.065 121.966 119.950 -0.081 0.000 3.048 851 F HA -0.316 4.211 4.527 0.001 0.000 0.287 851 F C 1.223 177.059 175.800 0.061 0.000 0.796 851 F CA 0.805 58.819 58.000 0.024 0.000 1.111 851 F CB -0.843 38.195 39.000 0.063 0.000 1.320 851 F HN 0.611 nan 8.300 nan 0.000 0.430 852 R N 0.872 121.411 120.500 0.065 0.000 2.590 852 R HA 0.410 4.751 4.340 0.001 0.000 0.274 852 R C 0.588 177.106 176.300 0.363 0.000 1.061 852 R CA 0.707 56.831 56.100 0.039 0.000 1.081 852 R CB 1.041 31.015 30.300 -0.544 0.000 0.984 852 R HN 0.262 nan 8.270 nan 0.000 0.448 853 S N 2.219 118.191 115.700 0.455 0.000 2.745 853 S HA 0.640 5.110 4.470 0.001 0.000 0.306 853 S C -0.284 174.572 174.600 0.427 0.000 1.137 853 S CA -1.024 57.444 58.200 0.446 0.000 0.900 853 S CB 1.394 64.772 63.200 0.296 0.000 1.176 853 S HN 0.350 nan 8.310 nan 0.000 0.520 854 L N -0.287 121.124 121.223 0.314 0.000 2.293 854 L HA 0.794 5.134 4.340 0.001 0.000 0.264 854 L C -1.447 175.651 176.870 0.380 0.000 1.029 854 L CA -0.829 54.177 54.840 0.276 0.000 0.897 854 L CB 1.630 43.888 42.059 0.332 0.000 1.497 854 L HN 0.782 nan 8.230 nan 0.000 0.495 855 F N 0.834 120.826 119.950 0.070 0.000 2.688 855 F HA 0.451 4.978 4.527 0.000 0.000 0.332 855 F C -2.026 173.713 175.800 -0.102 0.000 1.131 855 F CA -1.212 56.863 58.000 0.125 0.000 1.113 855 F CB 0.819 39.852 39.000 0.055 0.000 1.359 855 F HN 0.040 nan 8.300 nan 0.000 0.551 856 F N 5.426 125.826 119.950 0.749 0.000 2.520 856 F HA 0.737 5.265 4.527 0.001 0.000 0.322 856 F C 0.037 176.167 175.800 0.550 0.000 1.103 856 F CA -0.738 57.550 58.000 0.479 0.000 0.926 856 F CB 2.200 41.355 39.000 0.257 0.000 1.154 856 F HN 0.517 nan 8.300 nan 0.000 0.453 857 R N 0.090 120.914 120.500 0.541 0.000 2.892 857 R HA 0.781 5.121 4.340 0.001 0.000 0.265 857 R C -1.187 175.300 176.300 0.312 0.000 1.025 857 R CA -0.654 55.703 56.100 0.429 0.000 0.982 857 R CB 1.943 32.448 30.300 0.342 0.000 1.185 857 R HN 0.662 nan 8.270 nan 0.000 0.484 858 S N 2.063 117.872 115.700 0.182 0.000 2.158 858 S HA 0.268 4.738 4.470 0.001 0.000 0.160 858 S C -1.319 173.366 174.600 0.142 0.000 1.693 858 S CA -0.608 57.702 58.200 0.184 0.000 1.251 858 S CB 0.020 63.299 63.200 0.131 0.000 1.153 858 S HN 0.369 nan 8.310 nan 0.000 0.439 859 Y N 2.181 122.499 120.300 0.031 0.000 2.550 859 Y HA 0.428 4.979 4.550 0.000 0.000 0.343 859 Y C 0.604 176.505 175.900 0.002 0.000 1.245 859 Y CA -0.291 57.819 58.100 0.017 0.000 1.462 859 Y CB 0.333 38.789 38.460 -0.008 0.000 1.340 859 Y HN 0.421 nan 8.280 nan 0.000 0.604 860 M N 2.116 121.816 119.600 0.167 0.000 2.682 860 M HA 0.427 4.908 4.480 0.001 0.000 0.272 860 M C -2.427 173.976 176.300 0.171 0.000 1.232 860 M CA -0.394 54.971 55.300 0.109 0.000 0.849 860 M CB 2.975 35.638 32.600 0.104 0.000 1.695 860 M HN 0.879 nan 8.290 nan 0.000 0.481 861 D N 0.994 121.525 120.400 0.219 0.000 2.766 861 D HA 0.331 4.971 4.640 0.001 0.000 0.244 861 D C -1.911 174.693 176.300 0.506 0.000 1.198 861 D CA -0.023 54.180 54.000 0.338 0.000 0.739 861 D CB 1.779 42.778 40.800 0.333 0.000 1.379 861 D HN 0.758 nan 8.370 nan 0.000 0.437 862 Q N 0.338 120.382 119.800 0.407 0.000 2.873 862 Q HA 0.494 4.835 4.340 0.001 0.000 0.297 862 Q C -0.794 175.185 176.000 -0.036 0.000 1.064 862 Q CA -0.932 55.053 55.803 0.303 0.000 0.816 862 Q CB 1.956 30.841 28.738 0.244 0.000 1.481 862 Q HN 0.222 nan 8.270 nan 0.000 0.488 863 E N 1.289 121.399 120.200 -0.149 0.000 2.073 863 E HA 0.214 4.565 4.350 0.001 0.000 0.269 863 E C -0.990 175.561 176.600 -0.081 0.000 0.917 863 E CA -0.287 55.964 56.400 -0.248 0.000 0.757 863 E CB 1.138 30.645 29.700 -0.322 0.000 1.111 863 E HN 0.194 nan 8.360 nan 0.000 0.410 864 K N 2.124 122.502 120.400 -0.037 0.000 2.274 864 K HA 0.096 4.417 4.320 0.001 0.000 0.255 864 K C 0.142 176.769 176.600 0.044 0.000 1.005 864 K CA 0.504 56.788 56.287 -0.006 0.000 0.864 864 K CB 0.482 32.994 32.500 0.021 0.000 1.013 864 K HN 0.255 nan 8.250 nan 0.000 0.519 865 K N 0.130 120.534 120.400 0.007 0.000 2.495 865 K HA 0.315 4.635 4.320 0.001 0.000 0.268 865 K C -1.264 175.370 176.600 0.056 0.000 1.008 865 K CA -0.700 55.651 56.287 0.107 0.000 0.882 865 K CB 1.322 33.844 32.500 0.037 0.000 1.443 865 K HN 0.408 nan 8.250 nan 0.000 0.447 866 Y N -0.191 120.106 120.300 -0.004 0.000 2.685 866 Y HA 0.172 4.722 4.550 0.000 0.000 0.257 866 Y C 0.924 176.825 175.900 0.003 0.000 1.053 866 Y CA 0.147 58.248 58.100 0.000 0.000 1.106 866 Y CB 1.094 39.554 38.460 -0.000 0.000 1.193 866 Y HN 1.071 nan 8.280 nan 0.000 0.602 867 G N 1.120 109.982 108.800 0.104 0.000 4.328 867 G HA2 -0.459 3.501 3.960 0.001 0.000 0.222 867 G HA3 -0.459 3.501 3.960 0.001 0.000 0.222 867 G C 1.096 176.038 174.900 0.071 0.000 1.366 867 G CA 1.080 46.221 45.100 0.069 0.000 1.115 867 G HN 0.345 nan 8.290 nan 0.000 0.667 868 M N 1.784 121.435 119.600 0.085 0.000 2.964 868 M HA 0.355 4.835 4.480 0.001 0.000 0.195 868 M C 1.517 177.848 176.300 0.052 0.000 1.214 868 M CA 1.024 56.359 55.300 0.058 0.000 1.151 868 M CB -0.180 32.451 32.600 0.052 0.000 1.747 868 M HN 0.448 nan 8.290 nan 0.000 0.438 869 S N -0.442 115.295 115.700 0.061 0.000 3.225 869 S HA -0.170 4.300 4.470 0.001 0.000 0.308 869 S C 0.395 175.024 174.600 0.049 0.000 1.270 869 S CA 0.591 58.822 58.200 0.051 0.000 1.011 869 S CB -1.772 61.446 63.200 0.029 0.000 1.138 869 S HN 0.657 nan 8.310 nan 0.000 0.661 870 I N 2.450 123.057 120.570 0.063 0.000 2.483 870 I HA 0.107 4.277 4.170 0.001 0.000 0.291 870 I C 0.693 176.858 176.117 0.081 0.000 1.112 870 I CA 0.502 61.791 61.300 -0.017 0.000 1.350 870 I CB 0.218 38.112 38.000 -0.177 0.000 1.419 870 I HN 0.023 nan 8.210 nan 0.000 0.523 871 T N 5.241 119.816 114.554 0.036 0.000 2.912 871 T HA 0.327 4.677 4.350 0.001 0.000 0.288 871 T C 0.139 174.853 174.700 0.022 0.000 1.030 871 T CA -0.715 61.429 62.100 0.074 0.000 1.020 871 T CB 1.985 70.875 68.868 0.036 0.000 1.056 871 T HN 0.478 nan 8.240 nan 0.000 0.480 872 E N 0.664 120.884 120.200 0.033 0.000 3.196 872 E HA 0.542 4.892 4.350 0.001 0.000 0.268 872 E C -0.380 176.171 176.600 -0.081 0.000 1.430 872 E CA -0.407 55.983 56.400 -0.017 0.000 1.176 872 E CB 0.532 30.215 29.700 -0.027 0.000 1.228 872 E HN 0.455 nan 8.360 nan 0.000 0.730 873 T N -0.061 114.429 114.554 -0.107 0.000 2.886 873 T HA 0.285 4.635 4.350 0.001 0.000 0.330 873 T C -1.480 173.221 174.700 0.002 0.000 1.488 873 T CA -0.682 61.363 62.100 -0.091 0.000 1.054 873 T CB 0.522 69.388 68.868 -0.002 0.000 1.348 873 T HN 0.261 nan 8.240 nan 0.000 0.489 874 F N 2.986 122.964 119.950 0.047 0.000 2.332 874 F HA 0.488 5.016 4.527 0.000 0.000 0.368 874 F C 0.901 176.724 175.800 0.038 0.000 1.110 874 F CA -0.616 57.411 58.000 0.045 0.000 1.087 874 F CB 0.747 39.771 39.000 0.041 0.000 1.235 874 F HN 0.616 nan 8.300 nan 0.000 0.470 875 E N 1.897 122.240 120.200 0.239 0.000 2.435 875 E HA 0.308 4.659 4.350 0.001 0.000 0.272 875 E C -1.540 175.134 176.600 0.122 0.000 1.031 875 E CA -1.344 55.138 56.400 0.137 0.000 0.872 875 E CB 1.870 31.627 29.700 0.095 0.000 1.588 875 E HN 0.289 nan 8.360 nan 0.000 0.460 876 K N 1.929 122.380 120.400 0.085 0.000 2.459 876 K HA 0.301 4.621 4.320 0.001 0.000 0.218 876 K C -2.099 174.516 176.600 0.025 0.000 1.067 876 K CA -1.868 54.476 56.287 0.095 0.000 1.045 876 K CB 0.537 33.083 32.500 0.077 0.000 1.623 876 K HN 0.353 nan 8.250 nan 0.000 0.509 877 P HA 0.041 nan 4.420 nan 0.000 0.296 877 P C -0.581 176.582 177.300 -0.229 0.000 1.295 877 P CA 0.157 63.199 63.100 -0.095 0.000 0.754 877 P CB 0.754 32.411 31.700 -0.071 0.000 1.311 878 Q N -3.449 116.218 119.800 -0.223 0.000 2.055 878 Q HA 0.230 4.571 4.340 0.001 0.000 0.401 878 Q C 1.398 177.301 176.000 -0.162 0.000 0.459 878 Q CA -0.726 54.928 55.803 -0.249 0.000 1.132 878 Q CB -0.426 28.205 28.738 -0.179 0.000 0.787 878 Q HN -0.090 nan 8.270 nan 0.000 0.394 879 R N 0.872 121.305 120.500 -0.112 0.000 2.187 879 R HA 0.043 4.384 4.340 0.001 0.000 0.215 879 R C 0.041 176.303 176.300 -0.064 0.000 1.106 879 R CA 1.978 58.031 56.100 -0.078 0.000 0.869 879 R CB -1.486 28.780 30.300 -0.055 0.000 0.789 879 R HN 0.874 nan 8.270 nan 0.000 0.447 880 T N 1.589 116.112 114.554 -0.050 0.000 3.549 880 T HA -0.208 4.142 4.350 0.001 0.000 0.398 880 T C 0.499 175.178 174.700 -0.034 0.000 0.766 880 T CA 0.969 63.045 62.100 -0.040 0.000 2.007 880 T CB -1.095 67.749 68.868 -0.041 0.000 1.727 880 T HN 0.501 nan 8.240 nan 0.000 0.693 881 N N -0.418 118.265 118.700 -0.030 0.000 3.788 881 N HA -0.307 4.433 4.740 0.001 0.000 0.214 881 N C 1.514 177.008 175.510 -0.026 0.000 0.294 881 N CA 2.787 55.822 53.050 -0.024 0.000 2.466 881 N CB -1.811 36.663 38.487 -0.021 0.000 1.407 881 N HN 0.612 nan 8.380 nan 0.000 0.362 882 T N 2.712 117.250 114.554 -0.026 0.000 2.582 882 T HA -0.283 4.068 4.350 0.001 0.000 0.238 882 T C 1.667 176.351 174.700 -0.026 0.000 1.283 882 T CA 3.390 65.475 62.100 -0.025 0.000 1.101 882 T CB -0.562 68.289 68.868 -0.028 0.000 0.823 882 T HN 0.619 nan 8.240 nan 0.000 0.467 883 L N -2.854 118.345 121.223 -0.040 0.000 4.549 883 L HA -0.196 4.145 4.340 0.001 0.000 0.390 883 L C 0.639 177.482 176.870 -0.045 0.000 0.767 883 L CA 0.910 55.724 54.840 -0.043 0.000 2.397 883 L CB -1.397 40.647 42.059 -0.024 0.000 1.175 883 L HN 0.259 nan 8.230 nan 0.000 0.633 884 R N 1.772 122.253 120.500 -0.031 0.000 2.824 884 R HA 0.317 4.657 4.340 0.001 0.000 0.240 884 R C 0.289 176.571 176.300 -0.030 0.000 1.548 884 R CA 0.655 56.743 56.100 -0.019 0.000 1.119 884 R CB -0.145 30.154 30.300 -0.001 0.000 1.189 884 R HN 0.449 nan 8.270 nan 0.000 0.596 885 M N 0.518 120.082 119.600 -0.060 0.000 2.385 885 M HA 0.427 4.907 4.480 0.001 0.000 0.241 885 M C 0.486 176.763 176.300 -0.038 0.000 0.892 885 M CA -0.679 54.588 55.300 -0.055 0.000 1.530 885 M CB 0.702 33.201 32.600 -0.169 0.000 1.325 885 M HN -0.011 nan 8.290 nan 0.000 0.803 886 K N -0.484 119.926 120.400 0.015 0.000 1.754 886 K HA 0.443 4.763 4.320 0.001 0.000 0.264 886 K C 0.485 176.817 176.600 -0.446 0.000 0.932 886 K CA -0.419 55.787 56.287 -0.135 0.000 0.833 886 K CB 0.208 32.752 32.500 0.073 0.000 2.355 886 K HN 0.613 nan 8.250 nan 0.000 0.873 887 H N -1.109 118.042 119.070 0.135 0.000 3.771 887 H HA 0.219 4.775 4.556 0.001 0.000 0.260 887 H C 0.491 175.857 175.328 0.064 0.000 1.158 887 H CA -0.019 56.087 56.048 0.097 0.000 1.170 887 H CB 0.952 30.746 29.762 0.052 0.000 1.539 887 H HN 0.548 nan 8.280 nan 0.000 0.634 888 G N 1.282 110.129 108.800 0.078 0.000 2.444 888 G HA2 0.193 4.153 3.960 0.001 0.000 0.268 888 G HA3 0.193 4.153 3.960 0.001 0.000 0.268 888 G C -0.021 174.854 174.900 -0.041 0.000 1.203 888 G CA -0.188 44.899 45.100 -0.022 0.000 0.835 888 G HN -0.010 nan 8.290 nan 0.000 0.543 889 T N 2.152 116.699 114.554 -0.013 0.000 2.778 889 T HA -0.063 4.287 4.350 0.001 0.000 0.282 889 T C 0.761 175.449 174.700 -0.020 0.000 0.983 889 T CA 0.649 62.766 62.100 0.029 0.000 1.193 889 T CB 0.116 68.988 68.868 0.008 0.000 0.938 889 T HN 0.444 nan 8.240 nan 0.000 0.523 890 Y N 1.741 122.027 120.300 -0.023 0.000 2.314 890 Y HA -0.079 4.472 4.550 0.000 0.000 0.293 890 Y C 2.106 177.988 175.900 -0.031 0.000 1.129 890 Y CA 0.726 58.809 58.100 -0.028 0.000 1.201 890 Y CB -0.201 38.245 38.460 -0.024 0.000 0.999 890 Y HN 0.600 nan 8.280 nan 0.000 0.541 891 D N 0.633 121.106 120.400 0.120 0.000 2.248 891 D HA -0.278 4.362 4.640 0.001 0.000 0.189 891 D C 1.465 177.774 176.300 0.015 0.000 1.011 891 D CA 1.829 55.861 54.000 0.054 0.000 0.868 891 D CB -0.537 40.281 40.800 0.031 0.000 0.931 891 D HN 0.278 nan 8.370 nan 0.000 0.449 892 K N -0.213 120.177 120.400 -0.017 0.000 2.642 892 K HA -0.038 4.282 4.320 0.001 0.000 0.194 892 K C 0.180 176.748 176.600 -0.053 0.000 1.039 892 K CA 0.130 56.388 56.287 -0.047 0.000 0.947 892 K CB -0.209 32.244 32.500 -0.078 0.000 0.784 892 K HN 0.252 nan 8.250 nan 0.000 0.491 893 L N 1.679 122.888 121.223 -0.022 0.000 2.262 893 L HA 0.129 4.470 4.340 0.001 0.000 0.288 893 L C -0.062 176.806 176.870 -0.005 0.000 1.035 893 L CA -0.675 54.154 54.840 -0.018 0.000 0.820 893 L CB 1.126 43.203 42.059 0.030 0.000 1.204 893 L HN 0.042 nan 8.230 nan 0.000 0.424 894 D N 1.247 121.633 120.400 -0.023 0.000 2.274 894 D HA -0.046 4.595 4.640 0.001 0.000 0.256 894 D C 0.661 176.961 176.300 -0.001 0.000 1.274 894 D CA 0.098 54.089 54.000 -0.014 0.000 0.998 894 D CB 0.731 41.516 40.800 -0.025 0.000 1.139 894 D HN 0.479 nan 8.370 nan 0.000 0.540 895 D N -1.169 119.233 120.400 0.004 0.000 2.194 895 D HA -0.085 4.556 4.640 0.001 0.000 0.204 895 D C 0.910 177.226 176.300 0.027 0.000 0.964 895 D CA 0.696 54.706 54.000 0.018 0.000 0.846 895 D CB -0.018 40.793 40.800 0.018 0.000 0.962 895 D HN 0.427 nan 8.370 nan 0.000 0.490 896 D N -0.501 119.906 120.400 0.012 0.000 2.411 896 D HA -0.028 4.612 4.640 0.001 0.000 0.226 896 D C 1.443 177.746 176.300 0.005 0.000 0.988 896 D CA 0.929 54.941 54.000 0.021 0.000 0.938 896 D CB -0.588 40.209 40.800 -0.004 0.000 0.883 896 D HN 0.214 nan 8.370 nan 0.000 0.525 897 G N -0.741 108.055 108.800 -0.005 0.000 2.137 897 G HA2 -0.230 3.730 3.960 0.001 0.000 0.237 897 G HA3 -0.230 3.730 3.960 0.001 0.000 0.237 897 G C -0.056 174.759 174.900 -0.142 0.000 1.002 897 G CA 0.387 45.474 45.100 -0.021 0.000 0.702 897 G HN 0.431 nan 8.290 nan 0.000 0.515 898 L N -1.047 120.094 121.223 -0.137 0.000 2.230 898 L HA 0.770 5.110 4.340 0.001 0.000 0.255 898 L C 0.512 177.308 176.870 -0.123 0.000 1.039 898 L CA -1.547 53.188 54.840 -0.174 0.000 0.846 898 L CB 1.657 43.601 42.059 -0.191 0.000 1.419 898 L HN -0.015 nan 8.230 nan 0.000 0.435 899 I N 0.568 121.058 120.570 -0.133 0.000 2.460 899 I HA 0.464 4.634 4.170 0.001 0.000 0.298 899 I C 0.241 176.302 176.117 -0.094 0.000 0.989 899 I CA -0.636 60.597 61.300 -0.112 0.000 1.173 899 I CB 1.976 39.895 38.000 -0.135 0.000 1.338 899 I HN 0.615 nan 8.210 nan 0.000 0.456 900 A N 6.655 129.431 122.820 -0.074 0.000 2.425 900 A HA 0.335 4.656 4.320 0.001 0.000 0.249 900 A C -1.945 175.601 177.584 -0.064 0.000 1.084 900 A CA -1.092 50.908 52.037 -0.062 0.000 0.781 900 A CB -0.296 18.675 19.000 -0.048 0.000 1.019 900 A HN 0.560 nan 8.150 nan 0.000 0.490 901 P HA -0.014 nan 4.420 nan 0.000 0.261 901 P C 1.014 178.285 177.300 -0.048 0.000 1.288 901 P CA 1.571 64.640 63.100 -0.052 0.000 0.751 901 P CB 0.116 31.791 31.700 -0.041 0.000 1.103 902 G N -1.912 106.858 108.800 -0.050 0.000 2.692 902 G HA2 0.057 4.018 3.960 0.001 0.000 0.201 902 G HA3 0.057 4.018 3.960 0.001 0.000 0.201 902 G C 0.306 175.175 174.900 -0.053 0.000 1.063 902 G CA 0.024 45.096 45.100 -0.046 0.000 0.790 902 G HN 0.046 nan 8.290 nan 0.000 0.599 903 V N 0.609 120.487 119.914 -0.060 0.000 3.230 903 V HA 0.094 4.214 4.120 0.001 0.000 0.302 903 V C 0.626 176.676 176.094 -0.074 0.000 1.158 903 V CA 0.316 62.577 62.300 -0.065 0.000 1.279 903 V CB 0.669 32.446 31.823 -0.076 0.000 0.983 903 V HN 0.310 nan 8.190 nan 0.000 0.506 904 R N 1.606 122.063 120.500 -0.071 0.000 2.337 904 R HA 0.568 4.908 4.340 0.001 0.000 0.319 904 R C -0.704 175.545 176.300 -0.085 0.000 0.954 904 R CA -0.466 55.589 56.100 -0.075 0.000 0.840 904 R CB 1.434 31.698 30.300 -0.059 0.000 1.164 904 R HN 0.757 nan 8.270 nan 0.000 0.472 905 V N 1.400 121.250 119.914 -0.107 0.000 2.837 905 V HA 0.735 4.856 4.120 0.001 0.000 0.310 905 V C 0.278 176.309 176.094 -0.104 0.000 1.059 905 V CA 0.207 62.434 62.300 -0.121 0.000 1.004 905 V CB 1.722 33.442 31.823 -0.171 0.000 1.045 905 V HN 0.957 nan 8.190 nan 0.000 0.465 906 S N 1.815 117.459 115.700 -0.093 0.000 4.569 906 S HA 0.456 4.927 4.470 0.001 0.000 0.161 906 S C 1.542 176.107 174.600 -0.059 0.000 1.104 906 S CA 0.395 58.552 58.200 -0.072 0.000 1.153 906 S CB 0.063 63.230 63.200 -0.056 0.000 2.018 906 S HN 1.541 nan 8.310 nan 0.000 0.800 907 G N 1.455 110.228 108.800 -0.045 0.000 2.982 907 G HA2 -0.027 3.933 3.960 0.001 0.000 0.193 907 G HA3 -0.027 3.933 3.960 0.001 0.000 0.193 907 G C 0.429 175.310 174.900 -0.031 0.000 1.431 907 G CA 1.315 46.396 45.100 -0.031 0.000 0.787 907 G HN 0.746 nan 8.290 nan 0.000 0.720 908 E N 0.604 120.785 120.200 -0.032 0.000 2.876 908 E HA 0.169 4.519 4.350 0.001 0.000 0.208 908 E C -1.093 175.458 176.600 -0.083 0.000 0.981 908 E CA -0.307 56.072 56.400 -0.034 0.000 1.174 908 E CB 0.482 30.185 29.700 0.005 0.000 1.047 908 E HN 0.518 nan 8.360 nan 0.000 0.477 909 D N 0.931 121.269 120.400 -0.104 0.000 2.601 909 D HA -0.074 4.566 4.640 0.001 0.000 0.229 909 D C 0.254 176.414 176.300 -0.232 0.000 1.140 909 D CA 0.198 54.105 54.000 -0.154 0.000 0.862 909 D CB 0.605 41.326 40.800 -0.132 0.000 1.192 909 D HN -0.184 nan 8.370 nan 0.000 0.480 910 V N 2.085 121.784 119.914 -0.358 0.000 2.740 910 V HA 0.031 4.152 4.120 0.001 0.000 0.303 910 V C 1.372 177.289 176.094 -0.295 0.000 1.054 910 V CA 0.155 62.211 62.300 -0.406 0.000 1.106 910 V CB 0.824 32.208 31.823 -0.731 0.000 0.957 910 V HN 0.547 nan 8.190 nan 0.000 0.486 911 I N 3.512 123.924 120.570 -0.264 0.000 4.288 911 I HA 0.363 4.533 4.170 0.001 0.000 0.331 911 I C 0.101 176.088 176.117 -0.216 0.000 1.322 911 I CA 0.609 61.750 61.300 -0.264 0.000 1.149 911 I CB 0.556 38.329 38.000 -0.380 0.000 1.112 911 I HN 0.409 nan 8.210 nan 0.000 0.403 912 I N 1.135 121.601 120.570 -0.174 0.000 2.608 912 I HA 0.233 4.403 4.170 0.001 0.000 0.280 912 I C 0.072 176.168 176.117 -0.036 0.000 1.186 912 I CA -0.437 60.767 61.300 -0.159 0.000 1.081 912 I CB 1.681 39.586 38.000 -0.158 0.000 1.272 912 I HN -0.043 nan 8.210 nan 0.000 0.460 913 G N 4.805 113.612 108.800 0.012 0.000 2.467 913 G HA2 0.508 4.468 3.960 0.001 0.000 0.257 913 G HA3 0.508 4.468 3.960 0.001 0.000 0.257 913 G C -0.764 174.297 174.900 0.268 0.000 1.227 913 G CA -0.037 45.165 45.100 0.171 0.000 0.835 913 G HN 0.601 nan 8.290 nan 0.000 0.556 914 K N -0.433 120.132 120.400 0.275 0.000 2.587 914 K HA 0.566 4.886 4.320 0.001 0.000 0.276 914 K C -1.121 175.579 176.600 0.166 0.000 0.956 914 K CA -0.682 55.783 56.287 0.297 0.000 0.857 914 K CB 1.812 34.524 32.500 0.353 0.000 1.431 914 K HN 0.728 nan 8.250 nan 0.000 0.420 915 T N -0.872 113.744 114.554 0.104 0.000 2.883 915 T HA 0.505 4.856 4.350 0.001 0.000 0.301 915 T C -0.914 173.807 174.700 0.035 0.000 1.158 915 T CA -0.751 61.385 62.100 0.060 0.000 1.007 915 T CB 1.783 70.675 68.868 0.040 0.000 1.186 915 T HN 0.351 nan 8.240 nan 0.000 0.499 916 T N 3.738 118.308 114.554 0.027 0.000 2.812 916 T HA 0.612 4.963 4.350 0.001 0.000 0.282 916 T C -2.788 171.883 174.700 -0.049 0.000 0.990 916 T CA -1.312 60.797 62.100 0.015 0.000 0.960 916 T CB 1.581 70.486 68.868 0.063 0.000 0.948 916 T HN 0.516 nan 8.240 nan 0.000 0.438 917 P HA 0.543 nan 4.420 nan 0.000 0.286 917 P C -0.897 176.259 177.300 -0.241 0.000 1.321 917 P CA -0.239 62.765 63.100 -0.160 0.000 0.790 917 P CB 0.591 32.189 31.700 -0.170 0.000 0.897 918 I N 1.707 122.187 120.570 -0.150 0.000 3.195 918 I HA 0.492 4.662 4.170 0.001 0.000 0.313 918 I C -0.012 176.056 176.117 -0.081 0.000 1.237 918 I CA -0.647 60.571 61.300 -0.136 0.000 0.963 918 I CB 2.626 40.572 38.000 -0.089 0.000 1.278 918 I HN 0.423 nan 8.210 nan 0.000 0.460 934 K N 2.648 123.033 120.400 -0.025 0.000 3.098 934 K HA 0.254 4.575 4.320 0.001 0.000 0.170 934 K C -0.524 176.067 176.600 -0.014 0.000 1.106 934 K CA -0.348 55.927 56.287 -0.020 0.000 0.864 934 K CB 0.677 33.162 32.500 -0.025 0.000 1.047 934 K HN 0.505 nan 8.250 nan 0.000 0.609 935 R N 0.712 121.210 120.500 -0.005 0.000 2.390 935 R HA 0.206 4.546 4.340 0.001 0.000 0.291 935 R C -0.180 176.136 176.300 0.028 0.000 1.070 935 R CA -0.656 55.449 56.100 0.009 0.000 1.014 935 R CB 0.874 31.183 30.300 0.015 0.000 1.007 935 R HN 0.161 nan 8.270 nan 0.000 0.466 936 D N 1.721 122.143 120.400 0.036 0.000 2.360 936 D HA 0.163 4.803 4.640 0.001 0.000 0.242 936 D C -0.340 176.013 176.300 0.088 0.000 1.184 936 D CA 0.362 54.404 54.000 0.071 0.000 0.930 936 D CB 1.270 42.120 40.800 0.083 0.000 1.161 936 D HN 0.726 nan 8.370 nan 0.000 0.447 937 A N 1.359 124.250 122.820 0.118 0.000 2.556 937 A HA 0.188 4.508 4.320 0.001 0.000 0.208 937 A C 0.167 177.840 177.584 0.150 0.000 1.156 937 A CA -0.392 51.718 52.037 0.122 0.000 1.290 937 A CB -0.409 18.661 19.000 0.116 0.000 1.169 937 A HN 0.319 nan 8.150 nan 0.000 0.468 938 S N 0.398 116.187 115.700 0.149 0.000 2.606 938 S HA 0.483 4.953 4.470 0.001 0.000 0.257 938 S C 0.353 175.000 174.600 0.078 0.000 1.327 938 S CA 0.379 58.654 58.200 0.125 0.000 0.984 938 S CB 0.541 63.811 63.200 0.117 0.000 0.941 938 S HN 0.470 nan 8.310 nan 0.000 0.576 939 T N 3.612 118.182 114.554 0.026 0.000 2.892 939 T HA 0.408 4.759 4.350 0.001 0.000 0.311 939 T C -2.480 172.203 174.700 -0.028 0.000 1.033 939 T CA -1.036 61.088 62.100 0.041 0.000 0.991 939 T CB 1.462 70.379 68.868 0.081 0.000 0.981 939 T HN 0.374 nan 8.240 nan 0.000 0.457 940 P HA 0.383 nan 4.420 nan 0.000 0.289 940 P C -0.414 176.889 177.300 0.005 0.000 1.299 940 P CA -0.746 62.326 63.100 -0.047 0.000 0.766 940 P CB 0.962 32.658 31.700 -0.007 0.000 1.226 941 L N 0.221 121.429 121.223 -0.025 0.000 2.416 941 L HA 0.349 4.689 4.340 0.001 0.000 0.262 941 L C 0.786 177.772 176.870 0.192 0.000 1.093 941 L CA -0.755 54.110 54.840 0.043 0.000 0.801 941 L CB 0.272 42.273 42.059 -0.097 0.000 1.191 941 L HN 0.175 nan 8.230 nan 0.000 0.459 942 R N 1.654 122.343 120.500 0.315 0.000 2.540 942 R HA -0.017 4.323 4.340 0.001 0.000 0.317 942 R C 1.467 177.802 176.300 0.059 0.000 1.233 942 R CA 0.788 56.975 56.100 0.146 0.000 1.003 942 R CB -0.613 29.749 30.300 0.103 0.000 1.034 942 R HN 1.006 nan 8.270 nan 0.000 0.483 943 S N 1.956 117.679 115.700 0.039 0.000 2.513 943 S HA -0.372 4.099 4.470 0.001 0.000 0.311 943 S C 1.860 176.460 174.600 -0.001 0.000 1.227 943 S CA 2.669 60.876 58.200 0.012 0.000 1.234 943 S CB -0.898 62.304 63.200 0.003 0.000 1.244 943 S HN 0.666 nan 8.310 nan 0.000 0.445 944 T N 0.722 115.272 114.554 -0.007 0.000 2.701 944 T HA 0.044 4.394 4.350 0.001 0.000 0.263 944 T C 0.972 175.658 174.700 -0.024 0.000 1.040 944 T CA 1.133 63.225 62.100 -0.013 0.000 1.147 944 T CB -0.793 68.066 68.868 -0.015 0.000 0.865 944 T HN 0.713 nan 8.240 nan 0.000 0.426 945 E N 2.523 122.704 120.200 -0.030 0.000 2.416 945 E HA 0.414 4.765 4.350 0.001 0.000 0.254 945 E C -0.357 176.200 176.600 -0.072 0.000 1.241 945 E CA -0.136 56.218 56.400 -0.077 0.000 0.969 945 E CB 0.206 29.839 29.700 -0.112 0.000 0.999 945 E HN 0.745 nan 8.360 nan 0.000 0.481 946 N N -1.346 117.282 118.700 -0.120 0.000 4.454 946 N HA 0.392 5.132 4.740 0.001 0.000 0.201 946 N C -0.586 174.841 175.510 -0.139 0.000 1.131 946 N CA -0.068 52.916 53.050 -0.110 0.000 0.964 946 N CB 0.717 39.157 38.487 -0.079 0.000 1.579 946 N HN 0.569 nan 8.380 nan 0.000 0.573 947 G N 0.111 108.829 108.800 -0.136 0.000 2.927 947 G HA2 0.459 4.420 3.960 0.001 0.000 0.111 947 G HA3 0.459 4.420 3.960 0.001 0.000 0.111 947 G C -1.660 173.165 174.900 -0.125 0.000 1.198 947 G CA -0.371 44.646 45.100 -0.138 0.000 1.382 947 G HN 0.644 nan 8.290 nan 0.000 0.663 948 I N 0.983 121.470 120.570 -0.139 0.000 2.686 948 I HA 0.449 4.619 4.170 0.001 0.000 0.295 948 I C -0.304 175.740 176.117 -0.122 0.000 1.114 948 I CA -1.088 60.141 61.300 -0.119 0.000 1.038 948 I CB 2.648 40.585 38.000 -0.105 0.000 1.238 948 I HN 0.171 nan 8.210 nan 0.000 0.420 949 V N 3.962 123.811 119.914 -0.108 0.000 2.572 949 V HA -0.030 4.091 4.120 0.001 0.000 0.291 949 V C 0.590 176.644 176.094 -0.067 0.000 1.039 949 V CA 0.423 62.664 62.300 -0.098 0.000 1.055 949 V CB 1.084 32.847 31.823 -0.100 0.000 0.969 949 V HN 0.835 nan 8.190 nan 0.000 0.482 950 D N 2.373 122.752 120.400 -0.035 0.000 2.355 950 D HA 0.101 4.741 4.640 0.001 0.000 0.206 950 D C 0.556 176.865 176.300 0.014 0.000 1.010 950 D CA 0.596 54.599 54.000 0.006 0.000 0.875 950 D CB 0.445 41.299 40.800 0.090 0.000 0.966 950 D HN 0.784 nan 8.370 nan 0.000 0.512 951 Q N -0.684 119.116 119.800 -0.000 0.000 3.038 951 Q HA 0.147 4.487 4.340 0.001 0.000 0.198 951 Q C -2.135 173.848 176.000 -0.029 0.000 0.992 951 Q CA -0.600 55.194 55.803 -0.015 0.000 1.158 951 Q CB 0.093 28.827 28.738 -0.006 0.000 1.893 951 Q HN -0.093 nan 8.270 nan 0.000 0.561 952 V N 3.600 123.483 119.914 -0.052 0.000 3.211 952 V HA 0.829 4.949 4.120 0.001 0.000 0.319 952 V C -0.013 176.038 176.094 -0.072 0.000 1.096 952 V CA -0.563 61.691 62.300 -0.076 0.000 1.029 952 V CB 1.625 33.389 31.823 -0.099 0.000 1.137 952 V HN 0.833 nan 8.190 nan 0.000 0.453 953 L N -0.262 120.904 121.223 -0.096 0.000 2.592 953 L HA 0.817 5.157 4.340 0.001 0.000 0.258 953 L C -1.501 175.310 176.870 -0.099 0.000 0.926 953 L CA -0.726 54.066 54.840 -0.081 0.000 0.885 953 L CB 1.856 43.873 42.059 -0.069 0.000 1.380 953 L HN 0.296 nan 8.230 nan 0.000 0.415 954 V N 1.198 121.084 119.914 -0.047 0.000 2.448 954 V HA 0.827 4.947 4.120 0.001 0.000 0.295 954 V C 0.075 176.196 176.094 0.045 0.000 1.025 954 V CA -0.053 62.245 62.300 -0.004 0.000 0.859 954 V CB 1.657 33.495 31.823 0.025 0.000 0.988 954 V HN 0.967 nan 8.190 nan 0.000 0.431 955 T N 2.332 116.945 114.554 0.099 0.000 2.812 955 T HA 0.477 4.827 4.350 0.001 0.000 0.294 955 T C 0.307 175.134 174.700 0.210 0.000 1.159 955 T CA -0.328 61.864 62.100 0.153 0.000 1.008 955 T CB 2.174 71.157 68.868 0.192 0.000 1.289 955 T HN 0.725 nan 8.240 nan 0.000 0.514 956 T N 1.688 116.348 114.554 0.177 0.000 3.332 956 T HA 0.351 4.701 4.350 0.001 0.000 0.367 956 T C 0.184 174.992 174.700 0.179 0.000 1.244 956 T CA -0.352 61.840 62.100 0.152 0.000 0.977 956 T CB -0.112 68.820 68.868 0.106 0.000 1.784 956 T HN 0.692 nan 8.240 nan 0.000 0.553 957 N N -0.474 118.287 118.700 0.101 0.000 3.409 957 N HA 0.052 4.793 4.740 0.001 0.000 0.169 957 N C 0.237 175.750 175.510 0.006 0.000 1.443 957 N CA 0.060 53.128 53.050 0.031 0.000 0.933 957 N CB -0.504 37.979 38.487 -0.006 0.000 1.669 957 N HN 0.714 nan 8.380 nan 0.000 0.640 958 Q N -0.338 119.477 119.800 0.024 0.000 1.826 958 Q HA -0.338 4.002 4.340 0.001 0.000 0.189 958 Q C -0.143 175.870 176.000 0.022 0.000 2.901 958 Q CA 2.773 58.590 55.803 0.023 0.000 0.275 958 Q CB -1.197 27.545 28.738 0.007 0.000 0.398 958 Q HN 0.722 nan 8.270 nan 0.000 0.405 959 D N -0.158 120.248 120.400 0.010 0.000 2.390 959 D HA 0.043 4.683 4.640 0.001 0.000 0.235 959 D C 1.380 177.693 176.300 0.023 0.000 1.040 959 D CA 1.275 55.283 54.000 0.013 0.000 0.923 959 D CB -0.034 40.767 40.800 0.002 0.000 0.886 959 D HN 0.708 nan 8.370 nan 0.000 0.532 960 G N 0.803 109.622 108.800 0.033 0.000 2.304 960 G HA2 -0.330 3.631 3.960 0.001 0.000 0.252 960 G HA3 -0.330 3.631 3.960 0.001 0.000 0.252 960 G C 0.472 175.404 174.900 0.053 0.000 1.014 960 G CA 0.172 45.298 45.100 0.043 0.000 0.619 960 G HN 0.391 nan 8.290 nan 0.000 0.525 961 L N 0.791 122.039 121.223 0.043 0.000 2.554 961 L HA 0.105 4.445 4.340 0.001 0.000 0.293 961 L C 1.099 178.030 176.870 0.103 0.000 1.252 961 L CA 0.505 55.374 54.840 0.048 0.000 0.862 961 L CB 0.234 42.309 42.059 0.026 0.000 1.113 961 L HN 0.140 nan 8.230 nan 0.000 0.510 962 K N 2.825 123.284 120.400 0.098 0.000 2.338 962 K HA 0.177 4.497 4.320 0.001 0.000 0.290 962 K C -0.686 176.117 176.600 0.339 0.000 1.069 962 K CA -0.163 56.242 56.287 0.196 0.000 0.941 962 K CB 0.344 32.953 32.500 0.182 0.000 1.023 962 K HN 0.205 nan 8.250 nan 0.000 0.477 963 F N 4.151 124.204 119.950 0.172 0.000 2.436 963 F HA 0.373 4.900 4.527 0.000 0.000 0.340 963 F C -0.799 175.118 175.800 0.195 0.000 1.113 963 F CA -1.075 57.032 58.000 0.179 0.000 1.022 963 F CB 0.990 40.057 39.000 0.113 0.000 1.128 963 F HN 0.081 nan 8.300 nan 0.000 0.466 964 V N 6.448 126.280 119.914 -0.136 0.000 2.623 964 V HA 0.432 4.552 4.120 0.001 0.000 0.304 964 V C -0.667 175.181 176.094 -0.410 0.000 1.054 964 V CA -1.052 61.080 62.300 -0.281 0.000 0.882 964 V CB 1.972 33.669 31.823 -0.209 0.000 1.002 964 V HN 0.650 nan 8.190 nan 0.000 0.424 965 K N 2.960 123.117 120.400 -0.405 0.000 2.259 965 K HA 0.859 5.179 4.320 0.001 0.000 0.252 965 K C -1.451 175.073 176.600 -0.128 0.000 0.936 965 K CA -0.731 55.404 56.287 -0.253 0.000 0.810 965 K CB 2.711 35.058 32.500 -0.255 0.000 1.143 965 K HN 0.447 nan 8.250 nan 0.000 0.427 966 V N 2.315 122.206 119.914 -0.039 0.000 2.656 966 V HA 0.465 4.585 4.120 0.001 0.000 0.307 966 V C -0.552 175.584 176.094 0.071 0.000 1.051 966 V CA -0.998 61.288 62.300 -0.023 0.000 0.893 966 V CB 1.955 33.732 31.823 -0.076 0.000 0.999 966 V HN 0.699 nan 8.190 nan 0.000 0.426 967 R N 2.446 122.981 120.500 0.058 0.000 2.562 967 R HA 0.805 5.146 4.340 0.001 0.000 0.298 967 R C -1.793 174.554 176.300 0.079 0.000 0.961 967 R CA -0.416 55.765 56.100 0.136 0.000 0.881 967 R CB 2.008 32.412 30.300 0.173 0.000 1.159 967 R HN 0.551 nan 8.270 nan 0.000 0.450 968 V N 5.240 125.215 119.914 0.102 0.000 2.378 968 V HA 0.410 4.531 4.120 0.001 0.000 0.288 968 V C 0.006 176.023 176.094 -0.128 0.000 1.016 968 V CA -0.770 61.513 62.300 -0.028 0.000 0.840 968 V CB 1.298 33.096 31.823 -0.041 0.000 0.994 968 V HN 0.714 nan 8.190 nan 0.000 0.431 969 R N 3.177 123.520 120.500 -0.262 0.000 2.459 969 R HA 0.710 5.051 4.340 0.001 0.000 0.281 969 R C -0.913 175.155 176.300 -0.387 0.000 1.050 969 R CA 0.019 55.782 56.100 -0.562 0.000 1.055 969 R CB 1.495 31.460 30.300 -0.559 0.000 1.045 969 R HN 0.722 nan 8.270 nan 0.000 0.495 970 T N 1.692 116.013 114.554 -0.390 0.000 3.012 970 T HA 0.199 4.550 4.350 0.001 0.000 0.330 970 T C -1.310 173.345 174.700 -0.076 0.000 1.321 970 T CA -0.503 61.467 62.100 -0.216 0.000 1.067 970 T CB 1.923 70.624 68.868 -0.279 0.000 1.235 970 T HN 0.508 nan 8.240 nan 0.000 0.479 971 T N 3.618 118.179 114.554 0.012 0.000 2.758 971 T HA 0.437 4.788 4.350 0.001 0.000 0.285 971 T C -0.380 174.407 174.700 0.144 0.000 0.981 971 T CA -0.653 61.542 62.100 0.160 0.000 0.965 971 T CB 0.565 69.588 68.868 0.257 0.000 0.927 971 T HN 0.307 nan 8.240 nan 0.000 0.448 972 K N 3.852 124.368 120.400 0.194 0.000 2.265 972 K HA 0.526 4.847 4.320 0.001 0.000 0.267 972 K C -0.421 176.267 176.600 0.147 0.000 0.994 972 K CA -0.532 55.845 56.287 0.151 0.000 0.860 972 K CB 1.644 34.252 32.500 0.179 0.000 1.099 972 K HN 0.515 nan 8.250 nan 0.000 0.448 973 I N 4.421 125.048 120.570 0.095 0.000 2.488 973 I HA 0.255 4.425 4.170 0.001 0.000 0.299 973 I C -1.877 174.300 176.117 0.099 0.000 0.984 973 I CA -2.643 58.702 61.300 0.076 0.000 1.250 973 I CB 1.344 39.360 38.000 0.028 0.000 1.389 973 I HN 0.359 nan 8.210 nan 0.000 0.488 974 P HA 0.015 nan 4.420 nan 0.000 0.265 974 P C -1.030 176.345 177.300 0.125 0.000 1.222 974 P CA 0.191 63.416 63.100 0.208 0.000 0.767 974 P CB 0.909 32.809 31.700 0.333 0.000 0.801 975 Q N 2.400 122.258 119.800 0.097 0.000 2.286 975 Q HA 0.344 4.684 4.340 0.001 0.000 0.250 975 Q C 1.453 177.491 176.000 0.063 0.000 1.021 975 Q CA -0.917 54.920 55.803 0.056 0.000 0.930 975 Q CB 1.379 30.136 28.738 0.032 0.000 1.266 975 Q HN 0.259 nan 8.270 nan 0.000 0.491 976 I N 0.386 120.976 120.570 0.033 0.000 2.286 976 I HA -0.195 3.975 4.170 0.001 0.000 0.248 976 I C 1.676 177.820 176.117 0.044 0.000 1.115 976 I CA 1.559 62.880 61.300 0.035 0.000 1.392 976 I CB -0.280 37.728 38.000 0.013 0.000 1.065 976 I HN 0.872 nan 8.210 nan 0.000 0.418 977 G N -0.292 108.524 108.800 0.027 0.000 2.572 977 G HA2 -0.100 3.860 3.960 0.001 0.000 0.216 977 G HA3 -0.100 3.860 3.960 0.001 0.000 0.216 977 G C 0.279 175.175 174.900 -0.007 0.000 1.133 977 G CA -0.078 45.031 45.100 0.014 0.000 0.791 977 G HN 0.278 nan 8.290 nan 0.000 0.538 978 D N -0.068 120.322 120.400 -0.016 0.000 2.406 978 D HA 0.289 4.930 4.640 0.001 0.000 0.234 978 D C 0.441 176.622 176.300 -0.197 0.000 1.196 978 D CA 0.636 54.557 54.000 -0.131 0.000 0.881 978 D CB 0.790 41.492 40.800 -0.163 0.000 1.205 978 D HN 0.119 nan 8.370 nan 0.000 0.453 979 K N 0.618 120.762 120.400 -0.427 0.000 2.259 979 K HA 0.590 4.911 4.320 0.001 0.000 0.249 979 K C -1.385 174.728 176.600 -0.811 0.000 0.942 979 K CA -0.539 55.528 56.287 -0.367 0.000 0.816 979 K CB 0.891 33.280 32.500 -0.186 0.000 1.155 979 K HN 0.316 nan 8.250 nan 0.000 0.428 980 F N 0.439 120.325 119.950 -0.106 0.000 2.754 980 F HA 0.759 5.286 4.527 0.001 0.000 0.320 980 F C -0.721 175.080 175.800 0.002 0.000 1.156 980 F CA -0.773 57.146 58.000 -0.134 0.000 0.950 980 F CB 2.267 41.106 39.000 -0.268 0.000 1.388 980 F HN 0.613 nan 8.300 nan 0.000 0.485 981 A N 0.264 123.294 122.820 0.350 0.000 2.590 981 A HA 0.599 4.919 4.320 0.001 0.000 0.294 981 A C -0.758 176.954 177.584 0.214 0.000 1.046 981 A CA -0.204 52.018 52.037 0.308 0.000 0.684 981 A CB 0.881 19.950 19.000 0.114 0.000 1.279 981 A HN 1.013 nan 8.150 nan 0.000 0.415 982 S N 0.689 116.351 115.700 -0.063 0.000 2.552 982 S HA 0.591 5.061 4.470 0.001 0.000 0.271 982 S C 0.368 174.848 174.600 -0.200 0.000 1.168 982 S CA -0.293 57.593 58.200 -0.522 0.000 1.026 982 S CB 0.416 63.275 63.200 -0.569 0.000 1.120 982 S HN 0.694 nan 8.310 nan 0.000 0.514 983 R N 0.213 120.544 120.500 -0.282 0.000 2.831 983 R HA 0.356 4.696 4.340 0.001 0.000 0.337 983 R C -0.374 175.587 176.300 -0.565 0.000 1.200 983 R CA -0.185 55.707 56.100 -0.347 0.000 1.088 983 R CB -0.093 29.991 30.300 -0.359 0.000 1.397 983 R HN 0.584 nan 8.270 nan 0.000 0.581 984 H N -0.574 118.521 119.070 0.042 0.000 2.907 984 H HA 0.167 4.723 4.556 0.001 0.000 0.233 984 H C 0.614 176.019 175.328 0.128 0.000 1.285 984 H CA -0.097 56.012 56.048 0.102 0.000 0.981 984 H CB 1.245 31.099 29.762 0.153 0.000 2.255 984 H HN 0.464 nan 8.280 nan 0.000 0.601 985 G N 2.177 111.088 108.800 0.185 0.000 2.356 985 G HA2 -0.328 3.632 3.960 0.001 0.000 0.296 985 G HA3 -0.328 3.632 3.960 0.001 0.000 0.296 985 G C 0.507 175.451 174.900 0.073 0.000 1.022 985 G CA 0.399 45.598 45.100 0.165 0.000 0.961 985 G HN 0.330 nan 8.290 nan 0.000 0.510 986 Q N -0.072 119.801 119.800 0.122 0.000 2.375 986 Q HA 0.315 4.655 4.340 0.001 0.000 0.316 986 Q C 1.171 177.254 176.000 0.138 0.000 0.927 986 Q CA -0.161 55.726 55.803 0.140 0.000 1.029 986 Q CB -0.073 28.818 28.738 0.255 0.000 1.202 986 Q HN 0.708 nan 8.270 nan 0.000 0.431 987 K N -0.554 119.879 120.400 0.055 0.000 2.544 987 K HA 0.246 4.566 4.320 0.001 0.000 0.274 987 K C 0.238 176.889 176.600 0.085 0.000 0.962 987 K CA 0.999 57.317 56.287 0.052 0.000 0.946 987 K CB 0.157 32.642 32.500 -0.024 0.000 0.905 987 K HN 0.422 nan 8.250 nan 0.000 0.521 988 G N 0.285 109.134 108.800 0.081 0.000 2.380 988 G HA2 0.242 4.203 3.960 0.001 0.000 0.305 988 G HA3 0.242 4.203 3.960 0.001 0.000 0.305 988 G C -1.107 173.850 174.900 0.095 0.000 1.672 988 G CA -0.821 44.331 45.100 0.086 0.000 0.904 988 G HN 0.558 nan 8.290 nan 0.000 0.686 989 T N -0.130 114.468 114.554 0.072 0.000 2.888 989 T HA 0.749 5.099 4.350 0.001 0.000 0.284 989 T C 0.836 175.599 174.700 0.105 0.000 1.017 989 T CA -0.760 61.385 62.100 0.076 0.000 1.022 989 T CB 1.517 70.404 68.868 0.033 0.000 1.013 989 T HN 0.581 nan 8.240 nan 0.000 0.465 990 I N 1.454 122.110 120.570 0.144 0.000 3.161 990 I HA 0.300 4.470 4.170 0.001 0.000 0.284 990 I C 1.583 177.754 176.117 0.090 0.000 1.252 990 I CA 0.286 61.656 61.300 0.116 0.000 1.374 990 I CB 0.351 38.428 38.000 0.129 0.000 1.359 990 I HN 0.996 nan 8.210 nan 0.000 0.606 991 G N 4.413 113.275 108.800 0.103 0.000 2.834 991 G HA2 0.355 4.315 3.960 0.001 0.000 0.198 991 G HA3 0.355 4.315 3.960 0.001 0.000 0.198 991 G C 0.064 175.060 174.900 0.160 0.000 1.070 991 G CA 0.221 45.413 45.100 0.153 0.000 0.771 991 G HN 0.522 nan 8.290 nan 0.000 0.601 992 I N 0.725 121.328 120.570 0.055 0.000 2.897 992 I HA 0.441 4.611 4.170 0.001 0.000 0.299 992 I C -1.374 174.604 176.117 -0.231 0.000 1.527 992 I CA -0.732 60.474 61.300 -0.158 0.000 0.979 992 I CB 2.201 39.921 38.000 -0.466 0.000 1.360 992 I HN 0.198 nan 8.210 nan 0.000 0.495 993 T N 1.281 115.646 114.554 -0.316 0.000 2.912 993 T HA 0.733 5.083 4.350 0.001 0.000 0.288 993 T C -1.133 173.335 174.700 -0.387 0.000 1.030 993 T CA -0.397 61.573 62.100 -0.217 0.000 1.020 993 T CB 1.701 70.508 68.868 -0.100 0.000 1.056 993 T HN 0.492 nan 8.240 nan 0.000 0.480 994 Y N -0.592 119.687 120.300 -0.036 0.000 2.669 994 Y HA 0.720 5.271 4.550 0.001 0.000 0.335 994 Y C 0.554 176.452 175.900 -0.003 0.000 1.116 994 Y CA -1.454 56.632 58.100 -0.024 0.000 1.081 994 Y CB 2.097 40.555 38.460 -0.005 0.000 1.297 994 Y HN 0.577 nan 8.280 nan 0.000 0.484 995 R N -0.223 120.400 120.500 0.205 0.000 2.873 995 R HA 0.475 4.815 4.340 0.001 0.000 0.264 995 R C 0.791 177.164 176.300 0.121 0.000 1.026 995 R CA -0.906 55.264 56.100 0.116 0.000 1.002 995 R CB 1.494 31.836 30.300 0.071 0.000 1.174 995 R HN 0.666 nan 8.270 nan 0.000 0.488 996 R N 1.146 121.699 120.500 0.088 0.000 2.191 996 R HA -0.304 4.036 4.340 0.001 0.000 0.248 996 R C 1.520 177.891 176.300 0.120 0.000 1.127 996 R CA 2.454 58.609 56.100 0.093 0.000 0.943 996 R CB -0.405 29.927 30.300 0.054 0.000 0.891 996 R HN 0.597 nan 8.270 nan 0.000 0.439 997 E N 0.303 120.561 120.200 0.095 0.000 2.208 997 E HA -0.224 4.127 4.350 0.001 0.000 0.202 997 E C 1.384 178.086 176.600 0.170 0.000 1.014 997 E CA 1.903 58.371 56.400 0.113 0.000 0.819 997 E CB -0.213 29.531 29.700 0.075 0.000 0.735 997 E HN 0.436 nan 8.360 nan 0.000 0.469 998 D N -1.058 119.436 120.400 0.156 0.000 2.277 998 D HA 0.094 4.735 4.640 0.001 0.000 0.209 998 D C 0.405 176.731 176.300 0.045 0.000 0.970 998 D CA 0.101 54.188 54.000 0.145 0.000 0.874 998 D CB 0.040 40.924 40.800 0.140 0.000 0.982 998 D HN 0.078 nan 8.370 nan 0.000 0.504 999 M N 1.801 121.462 119.600 0.102 0.000 2.250 999 M HA 0.149 4.629 4.480 0.001 0.000 0.325 999 M C -2.281 174.122 176.300 0.173 0.000 1.084 999 M CA -1.455 53.925 55.300 0.133 0.000 1.161 999 M CB 0.545 33.208 32.600 0.106 0.000 1.481 999 M HN -0.155 nan 8.290 nan 0.000 0.449 1000 P HA 0.269 nan 4.420 nan 0.000 0.274 1000 P C -1.491 175.797 177.300 -0.019 0.000 1.231 1000 P CA -0.166 62.848 63.100 -0.143 0.000 0.790 1000 P CB 0.411 31.750 31.700 -0.601 0.000 0.951 1001 F N -2.037 117.942 119.950 0.049 0.000 2.601 1001 F HA 0.616 5.144 4.527 0.001 0.000 0.309 1001 F C -0.747 175.207 175.800 0.256 0.000 1.089 1001 F CA -1.309 56.769 58.000 0.129 0.000 0.940 1001 F CB 1.093 40.163 39.000 0.117 0.000 1.273 1001 F HN 0.255 nan 8.300 nan 0.000 0.450 1002 T N 1.899 116.795 114.554 0.570 0.000 2.767 1002 T HA 0.530 4.880 4.350 0.001 0.000 0.288 1002 T C 1.225 176.225 174.700 0.501 0.000 0.963 1002 T CA 0.045 62.439 62.100 0.490 0.000 1.019 1002 T CB 1.036 70.137 68.868 0.389 0.000 0.923 1002 T HN 1.326 nan 8.240 nan 0.000 0.468 1003 A N 4.379 127.520 122.820 0.535 0.000 1.997 1003 A HA -0.249 4.071 4.320 0.001 0.000 0.226 1003 A C 2.025 179.717 177.584 0.180 0.000 1.327 1003 A CA 2.506 54.739 52.037 0.326 0.000 0.693 1003 A CB -0.967 18.213 19.000 0.299 0.000 0.832 1003 A HN 0.964 nan 8.150 nan 0.000 0.497 1004 E N -1.921 118.395 120.200 0.193 0.000 2.396 1004 E HA 0.019 4.369 4.350 0.001 0.000 0.200 1004 E C 1.609 178.258 176.600 0.082 0.000 1.023 1004 E CA 0.833 57.311 56.400 0.130 0.000 0.857 1004 E CB -0.298 29.500 29.700 0.164 0.000 0.775 1004 E HN 0.967 nan 8.360 nan 0.000 0.525 1005 G N 1.421 110.279 108.800 0.096 0.000 2.475 1005 G HA2 -0.298 3.663 3.960 0.001 0.000 0.209 1005 G HA3 -0.298 3.663 3.960 0.001 0.000 0.209 1005 G C 0.597 175.557 174.900 0.100 0.000 1.127 1005 G CA -0.043 45.073 45.100 0.027 0.000 0.681 1005 G HN 0.314 nan 8.290 nan 0.000 0.517 1006 I N 0.559 121.194 120.570 0.108 0.000 3.173 1006 I HA 0.333 4.503 4.170 0.001 0.000 0.323 1006 I C 0.627 176.927 176.117 0.305 0.000 1.194 1006 I CA 0.171 61.549 61.300 0.129 0.000 1.464 1006 I CB 0.144 38.137 38.000 -0.011 0.000 1.295 1006 I HN 0.545 nan 8.210 nan 0.000 0.556 1007 V N 5.746 125.858 119.914 0.329 0.000 3.087 1007 V HA 0.590 4.710 4.120 0.001 0.000 0.306 1007 V C -2.356 173.942 176.094 0.340 0.000 1.187 1007 V CA -1.626 60.870 62.300 0.326 0.000 0.999 1007 V CB 2.664 34.599 31.823 0.188 0.000 1.049 1007 V HN 0.872 nan 8.190 nan 0.000 0.431 1008 P HA 0.314 nan 4.420 nan 0.000 0.274 1008 P C -0.801 176.528 177.300 0.048 0.000 1.237 1008 P CA 0.116 63.240 63.100 0.039 0.000 0.793 1008 P CB 0.936 32.461 31.700 -0.291 0.000 0.977 1009 D N 0.195 120.625 120.400 0.050 0.000 2.407 1009 D HA 0.202 4.842 4.640 0.001 0.000 0.208 1009 D C 0.119 176.399 176.300 -0.032 0.000 1.083 1009 D CA 0.526 54.533 54.000 0.012 0.000 0.844 1009 D CB 0.518 41.320 40.800 0.003 0.000 0.967 1009 D HN 0.130 nan 8.370 nan 0.000 0.506 1010 L N 0.685 121.879 121.223 -0.050 0.000 2.545 1010 L HA 0.395 4.736 4.340 0.001 0.000 0.258 1010 L C -1.802 175.008 176.870 -0.099 0.000 0.942 1010 L CA -0.460 54.309 54.840 -0.117 0.000 0.855 1010 L CB 2.508 44.437 42.059 -0.216 0.000 1.374 1010 L HN -0.202 nan 8.230 nan 0.000 0.411 1011 I N 6.144 126.663 120.570 -0.085 0.000 2.623 1011 I HA 0.375 4.546 4.170 0.001 0.000 0.275 1011 I C -0.082 176.009 176.117 -0.044 0.000 1.108 1011 I CA -0.484 60.769 61.300 -0.079 0.000 1.120 1011 I CB 0.950 38.916 38.000 -0.056 0.000 1.249 1011 I HN 0.494 nan 8.210 nan 0.000 0.500 1012 I N 1.100 121.651 120.570 -0.032 0.000 2.581 1012 I HA 0.391 4.562 4.170 0.001 0.000 0.288 1012 I C 0.286 176.384 176.117 -0.032 0.000 1.047 1012 I CA -0.204 61.094 61.300 -0.003 0.000 1.374 1012 I CB 0.977 39.016 38.000 0.066 0.000 1.423 1012 I HN 0.436 nan 8.210 nan 0.000 0.549 1013 N N 7.454 126.136 118.700 -0.030 0.000 2.475 1013 N HA 0.147 4.887 4.740 0.001 0.000 0.267 1013 N C -1.450 173.981 175.510 -0.132 0.000 1.169 1013 N CA -1.573 51.428 53.050 -0.081 0.000 0.947 1013 N CB 1.226 39.691 38.487 -0.037 0.000 1.061 1013 N HN 0.533 nan 8.380 nan 0.000 0.466 1014 P HA -0.200 nan 4.420 nan 0.000 0.217 1014 P C 0.741 177.947 177.300 -0.157 0.000 1.151 1014 P CA 1.508 64.472 63.100 -0.227 0.000 0.849 1014 P CB 0.061 31.588 31.700 -0.288 0.000 0.787 1015 H N 0.623 119.666 119.070 -0.046 0.000 2.422 1015 H HA 0.034 4.591 4.556 0.001 0.000 0.298 1015 H C 1.625 176.924 175.328 -0.047 0.000 1.098 1015 H CA 1.193 57.217 56.048 -0.040 0.000 1.315 1015 H CB -1.017 28.729 29.762 -0.027 0.000 1.382 1015 H HN 0.172 nan 8.280 nan 0.000 0.523 1016 A N 0.945 123.800 122.820 0.058 0.000 2.324 1016 A HA 0.113 4.434 4.320 0.001 0.000 0.240 1016 A C 1.306 178.862 177.584 -0.046 0.000 1.347 1016 A CA 0.228 52.270 52.037 0.008 0.000 1.036 1016 A CB -0.669 18.332 19.000 0.001 0.000 0.917 1016 A HN 0.158 nan 8.150 nan 0.000 0.519 1017 I N -1.209 119.334 120.570 -0.045 0.000 3.809 1017 I HA 0.114 4.284 4.170 0.001 0.000 0.245 1017 I C -1.028 175.063 176.117 -0.042 0.000 1.119 1017 I CA -0.205 61.044 61.300 -0.085 0.000 1.597 1017 I CB -1.615 36.301 38.000 -0.139 0.000 1.605 1017 I HN 0.012 nan 8.210 nan 0.000 0.441 1018 P HA -0.183 nan 4.420 nan 0.000 0.218 1018 P C 1.739 179.040 177.300 0.000 0.000 1.152 1018 P CA 2.508 65.604 63.100 -0.007 0.000 0.857 1018 P CB -0.001 31.705 31.700 0.010 0.000 0.787 1019 S N -1.804 113.899 115.700 0.004 0.000 2.478 1019 S HA 0.048 4.519 4.470 0.001 0.000 0.222 1019 S C 1.796 176.407 174.600 0.018 0.000 1.008 1019 S CA 0.239 58.444 58.200 0.008 0.000 0.928 1019 S CB -0.460 62.742 63.200 0.004 0.000 0.781 1019 S HN 0.125 nan 8.310 nan 0.000 0.518 1020 R N 0.519 121.029 120.500 0.017 0.000 2.237 1020 R HA 0.377 4.718 4.340 0.001 0.000 0.195 1020 R C 0.148 176.471 176.300 0.039 0.000 0.956 1020 R CA 0.407 56.529 56.100 0.037 0.000 1.029 1020 R CB -0.375 29.944 30.300 0.033 0.000 0.972 1020 R HN 0.356 nan 8.270 nan 0.000 0.493 1021 M N 1.774 121.382 119.600 0.013 0.000 2.303 1021 M HA -0.146 4.334 4.480 0.001 0.000 0.189 1021 M C -0.673 175.641 176.300 0.023 0.000 0.688 1021 M CA 0.876 56.183 55.300 0.011 0.000 0.479 1021 M CB -1.772 30.843 32.600 0.026 0.000 1.094 1021 M HN 0.109 nan 8.290 nan 0.000 0.907 1022 T N -3.172 111.378 114.554 -0.007 0.000 3.243 1022 T HA 0.444 4.794 4.350 0.001 0.000 0.245 1022 T C 1.196 175.842 174.700 -0.090 0.000 1.263 1022 T CA -0.663 61.430 62.100 -0.012 0.000 1.228 1022 T CB 0.305 69.172 68.868 -0.001 0.000 1.097 1022 T HN 0.334 nan 8.240 nan 0.000 0.628 1023 V N 1.240 121.127 119.914 -0.045 0.000 2.380 1023 V HA -0.257 3.863 4.120 0.001 0.000 0.251 1023 V C 3.021 179.052 176.094 -0.104 0.000 1.063 1023 V CA 2.216 64.469 62.300 -0.078 0.000 1.055 1023 V CB -1.300 30.500 31.823 -0.039 0.000 0.657 1023 V HN 0.817 nan 8.190 nan 0.000 0.455 1024 A N -0.715 122.080 122.820 -0.041 0.000 1.997 1024 A HA -0.339 3.981 4.320 0.001 0.000 0.221 1024 A C 2.190 179.719 177.584 -0.092 0.000 1.172 1024 A CA 2.255 54.331 52.037 0.066 0.000 0.645 1024 A CB -0.850 18.361 19.000 0.352 0.000 0.813 1024 A HN 0.739 nan 8.150 nan 0.000 0.454 1025 H N 0.428 119.045 119.070 -0.755 0.000 2.253 1025 H HA -0.137 4.419 4.556 0.001 0.000 0.296 1025 H C 1.967 177.245 175.328 -0.085 0.000 1.067 1025 H CA 2.207 57.859 56.048 -0.661 0.000 1.245 1025 H CB -0.655 28.805 29.762 -0.503 0.000 1.364 1025 H HN 0.408 nan 8.280 nan 0.000 0.494 1026 L N 0.303 121.616 121.223 0.149 0.000 2.010 1026 L HA -0.288 4.053 4.340 0.001 0.000 0.219 1026 L C 3.085 180.099 176.870 0.239 0.000 1.077 1026 L CA 1.836 56.730 54.840 0.091 0.000 0.773 1026 L CB -0.691 41.196 42.059 -0.287 0.000 0.892 1026 L HN 0.310 nan 8.230 nan 0.000 0.436 1027 I N -0.327 120.284 120.570 0.068 0.000 2.163 1027 I HA -0.322 3.848 4.170 0.001 0.000 0.243 1027 I C 2.691 178.959 176.117 0.251 0.000 1.085 1027 I CA 1.692 63.005 61.300 0.023 0.000 1.347 1027 I CB -0.423 37.350 38.000 -0.377 0.000 1.044 1027 I HN 0.399 nan 8.210 nan 0.000 0.408 1028 E N 0.452 120.875 120.200 0.371 0.000 2.118 1028 E HA -0.310 4.040 4.350 0.001 0.000 0.195 1028 E C 2.372 179.098 176.600 0.209 0.000 0.992 1028 E CA 1.804 58.409 56.400 0.342 0.000 0.804 1028 E CB -0.157 29.686 29.700 0.238 0.000 0.741 1028 E HN 0.583 nan 8.360 nan 0.000 0.458 1029 C N 0.014 119.446 119.300 0.219 0.000 2.473 1029 C HA -0.107 4.354 4.460 0.001 0.000 0.279 1029 C C 2.622 177.648 174.990 0.059 0.000 1.250 1029 C CA 0.897 60.004 59.018 0.149 0.000 1.713 1029 C CB -1.173 26.750 27.740 0.305 0.000 2.066 1029 C HN 0.620 nan 8.230 nan 0.000 0.474 1030 L N 0.813 122.137 121.223 0.168 0.000 2.079 1030 L HA -0.076 4.264 4.340 0.001 0.000 0.210 1030 L C 2.217 179.131 176.870 0.073 0.000 1.081 1030 L CA 1.916 56.813 54.840 0.095 0.000 0.752 1030 L CB -0.969 41.215 42.059 0.208 0.000 0.896 1030 L HN 0.474 nan 8.230 nan 0.000 0.433 1031 L N -1.660 119.639 121.223 0.126 0.000 2.056 1031 L HA -0.108 4.232 4.340 0.001 0.000 0.207 1031 L C 2.364 179.277 176.870 0.071 0.000 1.078 1031 L CA 1.911 56.830 54.840 0.132 0.000 0.749 1031 L CB -0.802 41.408 42.059 0.252 0.000 0.901 1031 L HN 0.194 nan 8.230 nan 0.000 0.433 1032 S N -0.587 115.144 115.700 0.050 0.000 2.428 1032 S HA -0.145 4.326 4.470 0.001 0.000 0.230 1032 S C 1.903 176.471 174.600 -0.055 0.000 1.014 1032 S CA 1.084 59.285 58.200 0.002 0.000 0.957 1032 S CB -0.271 62.936 63.200 0.012 0.000 0.784 1032 S HN 0.461 nan 8.310 nan 0.000 0.499 1033 K N 1.101 121.448 120.400 -0.089 0.000 2.283 1033 K HA -0.014 4.307 4.320 0.001 0.000 0.202 1033 K C 1.636 178.139 176.600 -0.163 0.000 1.048 1033 K CA 0.696 56.875 56.287 -0.180 0.000 0.948 1033 K CB 0.008 32.362 32.500 -0.244 0.000 0.742 1033 K HN 0.155 nan 8.250 nan 0.000 0.458 1034 V N 0.771 120.638 119.914 -0.079 0.000 2.284 1034 V HA -0.093 4.027 4.120 0.001 0.000 0.236 1034 V C 2.110 178.156 176.094 -0.079 0.000 1.044 1034 V CA 1.700 63.967 62.300 -0.056 0.000 1.019 1034 V CB -0.505 31.350 31.823 0.054 0.000 0.657 1034 V HN 0.427 nan 8.190 nan 0.000 0.465 1035 A N -0.172 122.638 122.820 -0.017 0.000 2.204 1035 A HA -0.147 4.174 4.320 0.001 0.000 0.220 1035 A C 2.103 179.660 177.584 -0.045 0.000 1.165 1035 A CA 2.074 54.104 52.037 -0.012 0.000 0.671 1035 A CB -0.633 18.369 19.000 0.005 0.000 0.792 1035 A HN 0.664 nan 8.150 nan 0.000 0.473 1036 A N -1.308 121.464 122.820 -0.081 0.000 2.081 1036 A HA 0.370 4.691 4.320 0.001 0.000 0.214 1036 A C 1.948 179.463 177.584 -0.115 0.000 1.158 1036 A CA 0.751 52.735 52.037 -0.089 0.000 0.724 1036 A CB -0.174 18.762 19.000 -0.106 0.000 0.826 1036 A HN 0.446 nan 8.150 nan 0.000 0.463 1037 L N -0.344 120.767 121.223 -0.187 0.000 2.221 1037 L HA -0.026 4.314 4.340 0.001 0.000 0.202 1037 L C 2.673 179.448 176.870 -0.159 0.000 1.074 1037 L CA 1.366 56.046 54.840 -0.266 0.000 0.795 1037 L CB -0.028 41.636 42.059 -0.658 0.000 0.960 1037 L HN 0.501 nan 8.230 nan 0.000 0.458 1038 S N -0.949 114.693 115.700 -0.096 0.000 2.524 1038 S HA 0.142 4.612 4.470 0.001 0.000 0.216 1038 S C 1.390 176.013 174.600 0.039 0.000 0.987 1038 S CA 0.340 58.582 58.200 0.071 0.000 0.909 1038 S CB 0.356 63.658 63.200 0.170 0.000 0.781 1038 S HN 0.424 nan 8.310 nan 0.000 0.521 1039 G N 2.147 110.949 108.800 0.002 0.000 2.333 1039 G HA2 -0.202 3.759 3.960 0.001 0.000 0.296 1039 G HA3 -0.202 3.759 3.960 0.001 0.000 0.296 1039 G C -0.485 174.423 174.900 0.013 0.000 1.059 1039 G CA -0.055 45.046 45.100 0.002 0.000 1.050 1039 G HN 0.515 nan 8.290 nan 0.000 0.508 1040 N N 0.733 119.443 118.700 0.016 0.000 2.716 1040 N HA 0.194 4.934 4.740 0.001 0.000 0.253 1040 N C 0.107 175.626 175.510 0.014 0.000 1.170 1040 N CA -0.464 52.600 53.050 0.023 0.000 0.807 1040 N CB 1.247 39.760 38.487 0.044 0.000 1.183 1040 N HN 0.639 nan 8.380 nan 0.000 0.524 1041 E N 1.296 121.494 120.200 -0.003 0.000 3.437 1041 E HA -0.151 4.199 4.350 0.001 0.000 0.262 1041 E C 0.471 177.064 176.600 -0.010 0.000 0.837 1041 E CA 0.061 56.449 56.400 -0.019 0.000 0.999 1041 E CB -0.084 29.597 29.700 -0.031 0.000 0.798 1041 E HN 0.542 nan 8.360 nan 0.000 0.535 1042 G N 4.695 113.491 108.800 -0.006 0.000 2.225 1042 G HA2 -0.126 3.834 3.960 0.001 0.000 0.245 1042 G HA3 -0.126 3.834 3.960 0.001 0.000 0.245 1042 G C -0.245 174.653 174.900 -0.004 0.000 1.249 1042 G CA -0.128 44.984 45.100 0.020 0.000 0.919 1042 G HN 0.665 nan 8.290 nan 0.000 0.486 1043 D N 2.025 122.451 120.400 0.043 0.000 2.365 1043 D HA 0.501 5.141 4.640 0.001 0.000 0.237 1043 D C 0.982 177.298 176.300 0.026 0.000 1.190 1043 D CA 0.193 54.208 54.000 0.024 0.000 0.867 1043 D CB 1.081 41.929 40.800 0.080 0.000 1.050 1043 D HN 0.285 nan 8.370 nan 0.000 0.491 1044 A N 2.796 125.472 122.820 -0.240 0.000 1.844 1044 A HA 0.181 4.502 4.320 0.001 0.000 0.212 1044 A C 0.755 178.130 177.584 -0.350 0.000 1.221 1044 A CA 0.320 51.843 52.037 -0.856 0.000 0.607 1044 A CB -0.603 17.754 19.000 -1.072 0.000 0.878 1044 A HN 0.598 nan 8.150 nan 0.000 0.451 1045 S N 0.561 116.129 115.700 -0.220 0.000 3.828 1045 S HA -0.098 4.373 4.470 0.001 0.000 0.853 1045 S C -1.567 173.077 174.600 0.072 0.000 1.181 1045 S CA 0.450 58.642 58.200 -0.014 0.000 1.026 1045 S CB -0.666 62.603 63.200 0.116 0.000 1.377 1045 S HN 0.404 nan 8.310 nan 0.000 0.295 1046 P HA -0.174 nan 4.420 nan 0.000 0.236 1046 P C 0.261 177.406 177.300 -0.260 0.000 0.865 1046 P CA 1.464 64.431 63.100 -0.221 0.000 1.105 1046 P CB 0.045 31.681 31.700 -0.106 0.000 0.694 1047 F N -0.982 119.080 119.950 0.188 0.000 2.405 1047 F HA 0.517 5.044 4.527 0.001 0.000 0.355 1047 F C 0.826 176.762 175.800 0.227 0.000 1.121 1047 F CA -0.080 58.010 58.000 0.149 0.000 1.112 1047 F CB 0.334 39.353 39.000 0.031 0.000 1.126 1047 F HN 0.047 nan 8.300 nan 0.000 0.481 1048 T N -1.710 113.065 114.554 0.368 0.000 2.718 1048 T HA 0.216 4.566 4.350 0.001 0.000 0.306 1048 T C -0.761 174.090 174.700 0.252 0.000 1.485 1048 T CA -1.048 61.251 62.100 0.331 0.000 0.997 1048 T CB 1.524 70.604 68.868 0.353 0.000 1.504 1048 T HN 0.423 nan 8.240 nan 0.000 0.497 1049 D N 0.843 121.372 120.400 0.214 0.000 3.008 1049 D HA 0.316 4.957 4.640 0.001 0.000 0.242 1049 D C -0.356 176.032 176.300 0.147 0.000 1.222 1049 D CA 0.168 54.265 54.000 0.163 0.000 0.883 1049 D CB -0.340 40.542 40.800 0.136 0.000 1.110 1049 D HN 0.294 nan 8.370 nan 0.000 0.455 1050 I N -0.297 120.368 120.570 0.159 0.000 2.863 1050 I HA 0.337 4.507 4.170 0.001 0.000 0.311 1050 I C 0.666 176.826 176.117 0.071 0.000 1.026 1050 I CA -0.615 60.758 61.300 0.120 0.000 1.077 1050 I CB 2.044 40.134 38.000 0.149 0.000 1.262 1050 I HN -0.148 nan 8.210 nan 0.000 0.461 1051 T N -0.732 113.843 114.554 0.034 0.000 2.889 1051 T HA 0.386 4.736 4.350 0.001 0.000 0.315 1051 T C 0.494 175.183 174.700 -0.019 0.000 1.291 1051 T CA -0.743 61.361 62.100 0.007 0.000 1.028 1051 T CB 1.225 70.114 68.868 0.035 0.000 1.235 1051 T HN 0.165 nan 8.240 nan 0.000 0.491 1052 V N 1.215 121.102 119.914 -0.045 0.000 2.392 1052 V HA -0.148 3.972 4.120 0.001 0.000 0.249 1052 V C 2.739 178.843 176.094 0.016 0.000 1.059 1052 V CA 1.908 64.192 62.300 -0.028 0.000 1.051 1052 V CB -0.767 31.038 31.823 -0.029 0.000 0.658 1052 V HN 0.868 nan 8.190 nan 0.000 0.455 1053 E N 0.694 120.906 120.200 0.020 0.000 2.031 1053 E HA -0.168 4.183 4.350 0.001 0.000 0.193 1053 E C 2.428 179.051 176.600 0.037 0.000 0.994 1053 E CA 1.553 57.971 56.400 0.030 0.000 0.800 1053 E CB -1.096 28.621 29.700 0.028 0.000 0.752 1053 E HN 0.568 nan 8.360 nan 0.000 0.447 1054 G N 1.535 110.358 108.800 0.038 0.000 2.556 1054 G HA2 -0.283 3.677 3.960 0.001 0.000 0.220 1054 G HA3 -0.283 3.677 3.960 0.001 0.000 0.220 1054 G C 1.762 176.696 174.900 0.056 0.000 1.156 1054 G CA 1.310 46.438 45.100 0.048 0.000 0.766 1054 G HN 0.230 nan 8.290 nan 0.000 0.583 1055 I N 0.198 120.801 120.570 0.055 0.000 2.270 1055 I HA -0.086 4.084 4.170 0.001 0.000 0.239 1055 I C 2.909 179.075 176.117 0.081 0.000 1.080 1055 I CA 0.964 62.308 61.300 0.072 0.000 1.383 1055 I CB -0.525 37.517 38.000 0.070 0.000 1.097 1055 I HN 0.084 nan 8.210 nan 0.000 0.420 1056 S N 0.874 116.620 115.700 0.076 0.000 2.461 1056 S HA -0.232 4.238 4.470 0.001 0.000 0.249 1056 S C 1.809 176.453 174.600 0.074 0.000 1.012 1056 S CA 1.481 59.731 58.200 0.084 0.000 0.982 1056 S CB -0.313 62.931 63.200 0.074 0.000 0.764 1056 S HN 0.396 nan 8.310 nan 0.000 0.506 1057 K N 0.424 120.861 120.400 0.062 0.000 2.137 1057 K HA 0.172 4.492 4.320 0.001 0.000 0.202 1057 K C 1.878 178.509 176.600 0.052 0.000 1.052 1057 K CA 0.662 56.978 56.287 0.049 0.000 0.961 1057 K CB -0.112 32.411 32.500 0.038 0.000 0.741 1057 K HN 0.314 nan 8.250 nan 0.000 0.452 1058 L N 0.499 121.766 121.223 0.072 0.000 2.095 1058 L HA -0.044 4.296 4.340 0.001 0.000 0.204 1058 L C 2.322 179.286 176.870 0.157 0.000 1.080 1058 L CA 0.489 55.379 54.840 0.083 0.000 0.759 1058 L CB -0.547 41.578 42.059 0.109 0.000 0.914 1058 L HN 0.115 nan 8.230 nan 0.000 0.439 1059 L N 0.543 121.876 121.223 0.184 0.000 2.261 1059 L HA -0.159 4.181 4.340 0.001 0.000 0.216 1059 L C 2.538 179.542 176.870 0.223 0.000 1.114 1059 L CA 1.410 56.396 54.840 0.242 0.000 0.777 1059 L CB -0.441 41.716 42.059 0.163 0.000 0.910 1059 L HN 0.102 nan 8.230 nan 0.000 0.440 1060 R N -0.041 120.537 120.500 0.131 0.000 2.246 1060 R HA 0.012 4.352 4.340 0.001 0.000 0.199 1060 R C 1.833 178.150 176.300 0.028 0.000 0.984 1060 R CA 0.961 57.111 56.100 0.084 0.000 1.015 1060 R CB -0.310 30.022 30.300 0.053 0.000 0.930 1060 R HN 0.480 nan 8.270 nan 0.000 0.475 1061 E N -0.907 119.284 120.200 -0.015 0.000 2.511 1061 E HA -0.086 4.264 4.350 0.001 0.000 0.196 1061 E C 0.494 176.929 176.600 -0.274 0.000 1.066 1061 E CA 0.390 56.702 56.400 -0.147 0.000 0.871 1061 E CB 0.124 29.700 29.700 -0.207 0.000 0.863 1061 E HN 0.497 nan 8.360 nan 0.000 0.520 1062 H N -1.718 117.365 119.070 0.021 0.000 2.705 1062 H HA 0.175 4.731 4.556 0.001 0.000 0.269 1062 H C 1.406 176.628 175.328 -0.178 0.000 0.998 1062 H CA 0.859 56.902 56.048 -0.009 0.000 1.193 1062 H CB 1.642 31.478 29.762 0.122 0.000 1.485 1062 H HN 0.330 nan 8.280 nan 0.000 0.521 1063 G N 0.454 109.215 108.800 -0.065 0.000 2.232 1063 G HA2 -0.249 3.712 3.960 0.001 0.000 0.226 1063 G HA3 -0.249 3.712 3.960 0.001 0.000 0.226 1063 G C -0.176 174.609 174.900 -0.193 0.000 0.996 1063 G CA -0.219 44.767 45.100 -0.190 0.000 0.626 1063 G HN 0.330 nan 8.290 nan 0.000 0.509 1064 Y N 0.949 121.289 120.300 0.066 0.000 2.316 1064 Y HA 0.588 5.139 4.550 0.001 0.000 0.324 1064 Y C 0.957 176.891 175.900 0.058 0.000 1.267 1064 Y CA -0.426 57.705 58.100 0.051 0.000 1.311 1064 Y CB 0.520 38.995 38.460 0.026 0.000 1.267 1064 Y HN 0.245 nan 8.280 nan 0.000 0.516 1065 Q N 1.151 121.098 119.800 0.245 0.000 2.394 1065 Q HA -0.123 4.217 4.340 0.001 0.000 0.347 1065 Q C 1.027 177.124 176.000 0.162 0.000 1.144 1065 Q CA 0.749 56.653 55.803 0.168 0.000 1.050 1065 Q CB 0.711 29.567 28.738 0.196 0.000 1.188 1065 Q HN 0.783 nan 8.270 nan 0.000 0.406 1066 S N 3.451 119.216 115.700 0.108 0.000 2.474 1066 S HA -0.039 4.432 4.470 0.001 0.000 0.235 1066 S C 0.876 175.553 174.600 0.129 0.000 0.997 1066 S CA 0.698 58.959 58.200 0.101 0.000 0.949 1066 S CB 0.114 63.348 63.200 0.057 0.000 0.766 1066 S HN 0.655 nan 8.310 nan 0.000 0.517 1067 R N 0.512 121.111 120.500 0.165 0.000 2.397 1067 R HA 0.411 4.752 4.340 0.001 0.000 0.241 1067 R C 1.698 178.301 176.300 0.505 0.000 0.914 1067 R CA 0.498 56.770 56.100 0.287 0.000 1.071 1067 R CB -0.321 30.089 30.300 0.183 0.000 1.116 1067 R HN 0.577 nan 8.270 nan 0.000 0.524 1068 G N 0.638 109.645 108.800 0.344 0.000 2.475 1068 G HA2 -0.280 3.680 3.960 0.001 0.000 0.209 1068 G HA3 -0.280 3.680 3.960 0.001 0.000 0.209 1068 G C 0.205 175.223 174.900 0.198 0.000 1.127 1068 G CA -0.298 44.892 45.100 0.150 0.000 0.681 1068 G HN 0.128 nan 8.290 nan 0.000 0.517 1069 F N 2.341 122.348 119.950 0.095 0.000 2.670 1069 F HA 0.394 4.921 4.527 0.001 0.000 0.325 1069 F C 1.211 177.054 175.800 0.071 0.000 1.125 1069 F CA 1.025 59.086 58.000 0.102 0.000 1.345 1069 F CB 0.130 39.197 39.000 0.112 0.000 1.019 1069 F HN 0.433 nan 8.300 nan 0.000 0.640 1070 E N -0.800 119.555 120.200 0.259 0.000 2.380 1070 E HA 0.403 4.753 4.350 0.001 0.000 0.281 1070 E C -1.581 175.092 176.600 0.122 0.000 0.999 1070 E CA -0.897 55.617 56.400 0.190 0.000 0.800 1070 E CB 2.238 32.050 29.700 0.186 0.000 1.228 1070 E HN 0.195 nan 8.360 nan 0.000 0.436 1071 V N 2.273 122.227 119.914 0.067 0.000 3.003 1071 V HA 0.396 4.516 4.120 0.001 0.000 0.305 1071 V C 0.298 176.322 176.094 -0.117 0.000 1.078 1071 V CA 0.209 62.467 62.300 -0.071 0.000 1.083 1071 V CB 0.656 32.393 31.823 -0.144 0.000 1.039 1071 V HN 0.597 nan 8.190 nan 0.000 0.481 1072 M N 2.179 121.595 119.600 -0.306 0.000 2.569 1072 M HA 0.497 4.977 4.480 0.001 0.000 0.279 1072 M C -1.993 173.948 176.300 -0.598 0.000 1.253 1072 M CA -0.572 54.547 55.300 -0.302 0.000 0.867 1072 M CB 2.739 35.205 32.600 -0.224 0.000 1.727 1072 M HN 0.513 nan 8.290 nan 0.000 0.467 1073 Y N 0.450 120.382 120.300 -0.614 0.000 2.352 1073 Y HA 0.286 4.836 4.550 0.001 0.000 0.339 1073 Y C 0.487 175.984 175.900 -0.672 0.000 0.992 1073 Y CA -1.149 56.532 58.100 -0.699 0.000 1.100 1073 Y CB 0.702 38.623 38.460 -0.899 0.000 1.192 1073 Y HN 0.570 nan 8.280 nan 0.000 0.458 1074 N N 2.317 120.898 118.700 -0.198 0.000 2.381 1074 N HA -0.090 4.650 4.740 0.001 0.000 0.288 1074 N C 1.291 176.762 175.510 -0.064 0.000 1.346 1074 N CA 0.874 53.869 53.050 -0.093 0.000 0.970 1074 N CB 0.785 39.240 38.487 -0.053 0.000 1.351 1074 N HN 1.090 nan 8.380 nan 0.000 0.488 1075 G N 3.210 111.999 108.800 -0.017 0.000 2.657 1075 G HA2 -0.289 3.671 3.960 0.001 0.000 0.224 1075 G HA3 -0.289 3.671 3.960 0.001 0.000 0.224 1075 G C 1.019 176.066 174.900 0.245 0.000 1.086 1075 G CA 0.980 46.172 45.100 0.154 0.000 0.730 1075 G HN 0.704 nan 8.290 nan 0.000 0.602 1076 H N 0.113 119.199 119.070 0.026 0.000 2.329 1076 H HA 0.031 4.587 4.556 0.001 0.000 0.306 1076 H C 2.927 178.279 175.328 0.040 0.000 1.062 1076 H CA 1.797 57.850 56.048 0.008 0.000 1.364 1076 H CB -0.750 28.986 29.762 -0.043 0.000 1.409 1076 H HN 0.457 nan 8.280 nan 0.000 0.519 1077 T N -3.451 111.206 114.554 0.173 0.000 2.983 1077 T HA 0.302 4.652 4.350 0.001 0.000 0.250 1077 T C 1.816 176.594 174.700 0.131 0.000 1.037 1077 T CA 0.877 63.049 62.100 0.121 0.000 1.142 1077 T CB 0.052 68.973 68.868 0.088 0.000 0.876 1077 T HN 0.513 nan 8.240 nan 0.000 0.455 1078 G N 1.332 110.216 108.800 0.139 0.000 2.184 1078 G HA2 -0.197 3.763 3.960 0.001 0.000 0.206 1078 G HA3 -0.197 3.763 3.960 0.001 0.000 0.206 1078 G C 0.009 175.019 174.900 0.184 0.000 0.995 1078 G CA -0.014 45.198 45.100 0.186 0.000 0.651 1078 G HN 0.740 nan 8.290 nan 0.000 0.511 1079 K N 1.418 121.892 120.400 0.124 0.000 2.382 1079 K HA 0.367 4.688 4.320 0.001 0.000 0.275 1079 K C 1.067 177.713 176.600 0.078 0.000 1.009 1079 K CA -0.161 56.193 56.287 0.113 0.000 0.970 1079 K CB 0.323 32.856 32.500 0.055 0.000 0.934 1079 K HN 0.290 nan 8.250 nan 0.000 0.479 1080 K N 2.095 122.518 120.400 0.038 0.000 2.181 1080 K HA 0.105 4.425 4.320 0.001 0.000 0.239 1080 K C -0.211 176.266 176.600 -0.205 0.000 1.073 1080 K CA 0.011 56.145 56.287 -0.256 0.000 0.839 1080 K CB 0.272 32.602 32.500 -0.284 0.000 1.116 1080 K HN 0.430 nan 8.250 nan 0.000 0.518 1081 L N 2.137 123.197 121.223 -0.271 0.000 2.316 1081 L HA 0.180 4.521 4.340 0.001 0.000 0.280 1081 L C 0.858 177.648 176.870 -0.132 0.000 1.006 1081 L CA -0.603 54.131 54.840 -0.177 0.000 0.836 1081 L CB 1.455 43.390 42.059 -0.207 0.000 1.221 1081 L HN 0.657 nan 8.230 nan 0.000 0.418 1082 M N 2.748 122.298 119.600 -0.082 0.000 2.327 1082 M HA -0.149 4.332 4.480 0.001 0.000 0.258 1082 M C 0.708 176.982 176.300 -0.045 0.000 1.079 1082 M CA 1.328 56.596 55.300 -0.054 0.000 1.056 1082 M CB -0.281 32.300 32.600 -0.031 0.000 1.387 1082 M HN 0.645 nan 8.290 nan 0.000 0.423 1083 A N -1.158 121.631 122.820 -0.052 0.000 2.313 1083 A HA 0.698 5.019 4.320 0.001 0.000 0.323 1083 A C -0.293 177.274 177.584 -0.028 0.000 1.133 1083 A CA -0.806 51.218 52.037 -0.021 0.000 0.847 1083 A CB 0.808 19.798 19.000 -0.015 0.000 1.308 1083 A HN 0.360 nan 8.150 nan 0.000 0.475 1084 Q N -1.192 118.639 119.800 0.051 0.000 2.427 1084 Q HA 0.798 5.139 4.340 0.001 0.000 0.232 1084 Q C -1.387 174.643 176.000 0.051 0.000 1.018 1084 Q CA -0.231 55.623 55.803 0.086 0.000 0.965 1084 Q CB 1.250 30.135 28.738 0.244 0.000 1.232 1084 Q HN 0.566 nan 8.270 nan 0.000 0.510 1085 I N -0.124 120.457 120.570 0.018 0.000 2.656 1085 I HA 0.255 4.425 4.170 0.001 0.000 0.292 1085 I C -1.200 174.813 176.117 -0.172 0.000 1.144 1085 I CA -0.570 60.657 61.300 -0.121 0.000 1.038 1085 I CB 1.489 39.379 38.000 -0.183 0.000 1.244 1085 I HN 0.447 nan 8.210 nan 0.000 0.420 1086 F N 6.583 126.218 119.950 -0.526 0.000 2.556 1086 F HA 0.273 4.800 4.527 0.001 0.000 0.344 1086 F C -0.629 175.116 175.800 -0.091 0.000 1.255 1086 F CA -0.056 57.645 58.000 -0.499 0.000 1.091 1086 F CB -0.225 38.456 39.000 -0.531 0.000 1.325 1086 F HN 0.339 nan 8.300 nan 0.000 0.627 1087 F N 6.016 125.705 119.950 -0.435 0.000 2.325 1087 F HA 0.627 5.154 4.527 0.001 0.000 0.369 1087 F C 0.045 175.611 175.800 -0.390 0.000 1.095 1087 F CA -0.452 57.352 58.000 -0.326 0.000 1.082 1087 F CB 0.390 39.268 39.000 -0.203 0.000 1.289 1087 F HN 0.536 nan 8.300 nan 0.000 0.462 1088 G N 5.906 114.640 108.800 -0.111 0.000 2.703 1088 G HA2 0.377 4.337 3.960 0.001 0.000 0.294 1088 G HA3 0.377 4.337 3.960 0.001 0.000 0.294 1088 G C -3.340 171.513 174.900 -0.079 0.000 1.451 1088 G CA -1.295 43.633 45.100 -0.287 0.000 0.869 1088 G HN 0.253 nan 8.290 nan 0.000 0.516 1089 P HA 0.313 nan 4.420 nan 0.000 0.269 1089 P C -0.460 176.892 177.300 0.086 0.000 1.217 1089 P CA 0.373 63.489 63.100 0.028 0.000 0.783 1089 P CB 1.039 32.733 31.700 -0.010 0.000 0.898 1090 T N 0.773 115.428 114.554 0.168 0.000 3.012 1090 T HA 0.177 4.527 4.350 0.001 0.000 0.330 1090 T C -1.276 173.579 174.700 0.257 0.000 1.321 1090 T CA -0.247 61.949 62.100 0.161 0.000 1.067 1090 T CB 0.605 69.562 68.868 0.148 0.000 1.235 1090 T HN 0.224 nan 8.240 nan 0.000 0.479 1091 Y N 2.545 122.855 120.300 0.018 0.000 2.402 1091 Y HA 0.515 5.065 4.550 0.001 0.000 0.333 1091 Y C -1.102 174.819 175.900 0.035 0.000 1.076 1091 Y CA -0.533 57.607 58.100 0.067 0.000 1.299 1091 Y CB 0.245 38.721 38.460 0.026 0.000 1.197 1091 Y HN 0.605 nan 8.280 nan 0.000 0.517 1092 Y N 3.657 123.904 120.300 -0.087 0.000 2.442 1092 Y HA 0.397 4.947 4.550 0.001 0.000 0.344 1092 Y C -0.620 175.249 175.900 -0.052 0.000 0.976 1092 Y CA -0.929 57.169 58.100 -0.003 0.000 1.040 1092 Y CB 1.871 40.406 38.460 0.126 0.000 1.228 1092 Y HN 0.474 nan 8.280 nan 0.000 0.451 1093 Q N 2.810 122.685 119.800 0.124 0.000 2.282 1093 Q HA 0.447 4.787 4.340 0.001 0.000 0.260 1093 Q C -0.761 175.309 176.000 0.117 0.000 0.964 1093 Q CA -1.089 54.770 55.803 0.093 0.000 0.880 1093 Q CB 2.287 31.049 28.738 0.040 0.000 1.286 1093 Q HN 0.470 nan 8.270 nan 0.000 0.445 1094 R N 3.056 123.621 120.500 0.110 0.000 2.235 1094 R HA 0.225 4.565 4.340 0.001 0.000 0.338 1094 R C -1.187 175.036 176.300 -0.130 0.000 1.087 1094 R CA -0.514 55.574 56.100 -0.019 0.000 0.948 1094 R CB 0.095 30.446 30.300 0.086 0.000 1.099 1094 R HN 0.419 nan 8.270 nan 0.000 0.483 1095 L N 4.319 125.403 121.223 -0.233 0.000 2.436 1095 L HA 0.304 4.644 4.340 0.001 0.000 0.265 1095 L C 0.863 177.566 176.870 -0.279 0.000 1.168 1095 L CA -0.145 54.545 54.840 -0.250 0.000 0.815 1095 L CB 0.366 42.240 42.059 -0.309 0.000 1.109 1095 L HN 0.608 nan 8.230 nan 0.000 0.462 1096 R N 0.560 120.911 120.500 -0.249 0.000 2.738 1096 R HA 0.383 4.723 4.340 0.001 0.000 0.268 1096 R C -0.946 175.336 176.300 -0.031 0.000 1.062 1096 R CA -0.402 55.623 56.100 -0.126 0.000 1.158 1096 R CB 0.145 30.378 30.300 -0.111 0.000 1.046 1096 R HN 0.669 nan 8.270 nan 0.000 0.493 1097 H N -0.245 118.737 119.070 -0.148 0.000 4.474 1097 H HA 0.006 4.562 4.556 0.001 0.000 0.517 1097 H C -1.563 173.681 175.328 -0.139 0.000 1.604 1097 H CA -0.068 55.902 56.048 -0.129 0.000 1.594 1097 H CB -1.486 28.192 29.762 -0.140 0.000 2.443 1097 H HN 0.662 nan 8.280 nan 0.000 0.565 1098 M N 0.472 120.071 119.600 -0.002 0.000 2.294 1098 M HA 0.390 4.870 4.480 0.001 0.000 0.335 1098 M C 1.647 177.935 176.300 -0.020 0.000 1.079 1098 M CA -0.580 54.696 55.300 -0.040 0.000 0.982 1098 M CB 1.926 34.508 32.600 -0.031 0.000 1.651 1098 M HN 0.167 nan 8.290 nan 0.000 0.437 1099 V N 2.571 122.471 119.914 -0.025 0.000 2.277 1099 V HA -0.433 3.687 4.120 0.001 0.000 0.256 1099 V C 1.585 177.677 176.094 -0.002 0.000 1.069 1099 V CA 2.999 65.292 62.300 -0.012 0.000 1.096 1099 V CB -0.184 31.637 31.823 -0.004 0.000 0.741 1099 V HN 1.025 nan 8.190 nan 0.000 0.470 1100 D N -0.297 120.107 120.400 0.005 0.000 2.239 1100 D HA -0.154 4.486 4.640 0.001 0.000 0.202 1100 D C 1.684 177.991 176.300 0.012 0.000 0.993 1100 D CA 1.709 55.716 54.000 0.011 0.000 0.874 1100 D CB -0.513 40.295 40.800 0.013 0.000 0.922 1100 D HN 0.689 nan 8.370 nan 0.000 0.464 1101 D N -0.252 120.157 120.400 0.014 0.000 2.349 1101 D HA 0.010 4.651 4.640 0.001 0.000 0.224 1101 D C 1.497 177.789 176.300 -0.014 0.000 1.029 1101 D CA 0.380 54.388 54.000 0.013 0.000 0.879 1101 D CB 0.441 41.263 40.800 0.036 0.000 0.906 1101 D HN 0.335 nan 8.370 nan 0.000 0.528 1102 K N -0.196 120.198 120.400 -0.010 0.000 2.418 1102 K HA 0.110 4.430 4.320 0.001 0.000 0.208 1102 K C 0.393 177.016 176.600 0.037 0.000 1.261 1102 K CA -0.583 55.700 56.287 -0.008 0.000 0.874 1102 K CB 0.619 33.101 32.500 -0.030 0.000 1.451 1102 K HN -0.117 nan 8.250 nan 0.000 0.466 1103 I N 3.904 124.494 120.570 0.033 0.000 3.353 1103 I HA -0.201 3.970 4.170 0.001 0.000 0.323 1103 I C -0.067 176.115 176.117 0.107 0.000 1.254 1103 I CA 1.148 62.478 61.300 0.049 0.000 1.395 1103 I CB -1.084 36.933 38.000 0.028 0.000 1.387 1103 I HN 0.208 nan 8.210 nan 0.000 0.504 1104 H N 6.199 125.262 119.070 -0.012 0.000 2.667 1104 H HA 0.853 5.409 4.556 0.001 0.000 0.353 1104 H C -1.175 174.149 175.328 -0.007 0.000 1.072 1104 H CA -0.867 55.175 56.048 -0.011 0.000 1.214 1104 H CB 1.586 31.340 29.762 -0.012 0.000 1.600 1104 H HN 0.562 nan 8.280 nan 0.000 0.527 1105 A N 5.268 127.961 122.820 -0.211 0.000 2.427 1105 A HA 0.639 4.959 4.320 0.001 0.000 0.298 1105 A C -1.138 176.303 177.584 -0.239 0.000 1.036 1105 A CA -0.841 51.017 52.037 -0.299 0.000 0.701 1105 A CB 1.201 20.137 19.000 -0.107 0.000 1.250 1105 A HN 0.813 nan 8.150 nan 0.000 0.412 1106 R N 1.787 122.129 120.500 -0.264 0.000 2.575 1106 R HA 0.730 5.071 4.340 0.001 0.000 0.293 1106 R C -1.096 175.160 176.300 -0.075 0.000 0.983 1106 R CA -0.167 55.871 56.100 -0.102 0.000 0.887 1106 R CB 1.832 32.102 30.300 -0.049 0.000 1.184 1106 R HN 1.150 nan 8.270 nan 0.000 0.445 1107 A N 5.737 128.533 122.820 -0.040 0.000 2.664 1107 A HA 0.422 4.742 4.320 0.001 0.000 0.338 1107 A C -0.419 177.151 177.584 -0.024 0.000 1.280 1107 A CA -0.575 51.440 52.037 -0.036 0.000 0.809 1107 A CB 0.339 19.321 19.000 -0.031 0.000 1.114 1107 A HN 1.009 nan 8.150 nan 0.000 0.479 1108 R N 0.550 121.036 120.500 -0.023 0.000 1.466 1108 R HA -0.010 4.331 4.340 0.001 0.000 0.485 1108 R C 0.044 176.339 176.300 -0.008 0.000 1.341 1108 R CA 1.515 57.605 56.100 -0.016 0.000 1.448 1108 R CB -0.979 29.310 30.300 -0.018 0.000 3.640 1108 R HN 2.366 nan 8.270 nan 0.000 0.528 1109 G N 2.069 110.865 108.800 -0.008 0.000 2.455 1109 G HA2 0.217 4.178 3.960 0.001 0.000 0.223 1109 G HA3 0.217 4.178 3.960 0.001 0.000 0.223 1109 G C -2.902 171.993 174.900 -0.008 0.000 1.226 1109 G CA -0.388 44.709 45.100 -0.006 0.000 0.948 1109 G HN 0.643 nan 8.290 nan 0.000 0.478 1110 P HA 0.118 nan 4.420 nan 0.000 0.257 1110 P C -0.647 176.645 177.300 -0.014 0.000 1.153 1110 P CA 0.882 63.977 63.100 -0.008 0.000 0.762 1110 P CB 0.119 31.819 31.700 -0.000 0.000 0.743 1111 M N 2.156 121.738 119.600 -0.029 0.000 2.253 1111 M HA 0.262 4.742 4.480 0.001 0.000 0.314 1111 M C 0.665 176.933 176.300 -0.053 0.000 1.019 1111 M CA -0.866 54.407 55.300 -0.044 0.000 0.932 1111 M CB 1.930 34.489 32.600 -0.067 0.000 1.606 1111 M HN 0.429 nan 8.290 nan 0.000 0.430 1112 Q N 1.174 120.948 119.800 -0.044 0.000 2.861 1112 Q HA 0.029 4.369 4.340 0.001 0.000 0.240 1112 Q C 0.215 176.174 176.000 -0.067 0.000 1.162 1112 Q CA 0.491 56.270 55.803 -0.040 0.000 1.078 1112 Q CB 0.835 29.558 28.738 -0.024 0.000 1.349 1112 Q HN 0.625 nan 8.270 nan 0.000 0.595 1113 V N 0.880 120.764 119.914 -0.049 0.000 2.908 1113 V HA -0.065 4.056 4.120 0.001 0.000 0.240 1113 V C 1.582 177.649 176.094 -0.046 0.000 1.117 1113 V CA 0.686 62.947 62.300 -0.064 0.000 1.133 1113 V CB -0.320 31.483 31.823 -0.033 0.000 0.857 1113 V HN 0.755 nan 8.190 nan 0.000 0.478 1114 L N 0.261 121.486 121.223 0.002 0.000 2.179 1114 L HA 0.031 4.371 4.340 0.001 0.000 0.208 1114 L C 2.095 179.037 176.870 0.121 0.000 1.096 1114 L CA 2.251 57.126 54.840 0.059 0.000 0.779 1114 L CB -0.537 41.549 42.059 0.045 0.000 0.922 1114 L HN 0.296 nan 8.230 nan 0.000 0.443 1115 T N -1.125 113.462 114.554 0.056 0.000 3.039 1115 T HA 0.115 4.465 4.350 0.001 0.000 0.250 1115 T C 0.740 175.449 174.700 0.014 0.000 1.052 1115 T CA 0.188 62.339 62.100 0.086 0.000 1.125 1115 T CB 0.140 69.031 68.868 0.040 0.000 0.908 1115 T HN 0.296 nan 8.240 nan 0.000 0.473 1116 R N 0.550 120.964 120.500 -0.143 0.000 3.951 1116 R HA -0.133 4.207 4.340 0.001 0.000 0.352 1116 R C -0.167 176.060 176.300 -0.122 0.000 1.178 1116 R CA 0.554 56.492 56.100 -0.270 0.000 0.949 1116 R CB -1.875 28.023 30.300 -0.671 0.000 1.452 1116 R HN 0.501 nan 8.270 nan 0.000 0.540 1117 Q N 0.093 119.863 119.800 -0.050 0.000 2.195 1117 Q HA 0.418 4.758 4.340 0.001 0.000 0.250 1117 Q C -2.319 173.669 176.000 -0.020 0.000 0.988 1117 Q CA -2.110 53.683 55.803 -0.018 0.000 0.911 1117 Q CB 1.140 29.884 28.738 0.010 0.000 1.258 1117 Q HN -0.147 nan 8.270 nan 0.000 0.475 1118 P HA -0.092 nan 4.420 nan 0.000 0.270 1118 P C -1.067 176.237 177.300 0.007 0.000 1.221 1118 P CA 0.018 63.118 63.100 0.001 0.000 0.788 1118 P CB 0.377 32.085 31.700 0.013 0.000 0.904 1119 V N -1.715 118.206 119.914 0.011 0.000 2.617 1119 V HA 0.424 4.544 4.120 0.001 0.000 0.298 1119 V C 0.252 176.357 176.094 0.019 0.000 1.048 1119 V CA -0.955 61.351 62.300 0.010 0.000 0.964 1119 V CB 1.012 32.836 31.823 0.002 0.000 1.004 1119 V HN 0.436 nan 8.190 nan 0.000 0.466 1120 E N 1.954 122.160 120.200 0.011 0.000 2.404 1120 E HA 0.475 4.825 4.350 0.001 0.000 0.261 1120 E C 0.498 177.095 176.600 -0.006 0.000 1.074 1120 E CA 0.882 57.288 56.400 0.009 0.000 0.917 1120 E CB 0.531 30.232 29.700 0.003 0.000 0.965 1120 E HN 1.800 nan 8.360 nan 0.000 0.433 1121 G N 2.364 111.156 108.800 -0.014 0.000 2.850 1121 G HA2 -0.284 3.677 3.960 0.001 0.000 0.686 1121 G HA3 -0.284 3.677 3.960 0.001 0.000 0.686 1121 G C 0.318 175.128 174.900 -0.150 0.000 1.164 1121 G CA 0.201 45.264 45.100 -0.063 0.000 0.826 1121 G HN 0.770 nan 8.290 nan 0.000 0.586 1122 R N 0.675 120.994 120.500 -0.301 0.000 2.119 1122 R HA 0.007 4.347 4.340 0.001 0.000 0.222 1122 R C 2.712 178.791 176.300 -0.367 0.000 1.088 1122 R CA 2.107 57.784 56.100 -0.705 0.000 0.984 1122 R CB -0.502 29.293 30.300 -0.842 0.000 0.884 1122 R HN 0.999 nan 8.270 nan 0.000 0.447 1123 S N 0.839 116.416 115.700 -0.205 0.000 2.402 1123 S HA -0.145 4.325 4.470 0.001 0.000 0.233 1123 S C 1.725 176.273 174.600 -0.086 0.000 1.030 1123 S CA 1.247 59.378 58.200 -0.116 0.000 1.003 1123 S CB -0.300 62.853 63.200 -0.078 0.000 0.813 1123 S HN 0.467 nan 8.310 nan 0.000 0.477 1124 R N 0.593 121.040 120.500 -0.087 0.000 2.468 1124 R HA 0.178 4.518 4.340 0.001 0.000 0.280 1124 R C -0.141 176.138 176.300 -0.035 0.000 0.963 1124 R CA 0.352 56.425 56.100 -0.046 0.000 1.083 1124 R CB 0.051 30.334 30.300 -0.029 0.000 1.200 1124 R HN 0.298 nan 8.270 nan 0.000 0.541 1125 D N -0.288 120.074 120.400 -0.064 0.000 3.090 1125 D HA -0.116 4.524 4.640 0.001 0.000 0.215 1125 D C 0.342 176.698 176.300 0.093 0.000 1.140 1125 D CA 1.101 55.114 54.000 0.021 0.000 0.937 1125 D CB -0.803 40.015 40.800 0.029 0.000 1.108 1125 D HN 0.444 nan 8.370 nan 0.000 0.420 1126 G N -0.559 108.277 108.800 0.059 0.000 2.631 1126 G HA2 0.504 4.464 3.960 0.001 0.000 0.271 1126 G HA3 0.504 4.464 3.960 0.001 0.000 0.271 1126 G C 0.602 175.637 174.900 0.226 0.000 1.302 1126 G CA 0.235 45.398 45.100 0.105 0.000 1.002 1126 G HN 0.337 nan 8.290 nan 0.000 0.519 1127 G N -1.879 107.001 108.800 0.133 0.000 2.537 1127 G HA2 0.552 4.513 3.960 0.001 0.000 0.323 1127 G HA3 0.552 4.513 3.960 0.001 0.000 0.323 1127 G C -0.392 174.565 174.900 0.094 0.000 1.207 1127 G CA -0.945 44.208 45.100 0.088 0.000 0.976 1127 G HN 0.570 nan 8.290 nan 0.000 0.487 1128 L N -0.237 121.014 121.223 0.047 0.000 2.466 1128 L HA 0.463 4.804 4.340 0.001 0.000 0.257 1128 L C 1.032 177.948 176.870 0.077 0.000 1.189 1128 L CA -0.628 54.252 54.840 0.066 0.000 0.813 1128 L CB 0.808 42.892 42.059 0.043 0.000 1.118 1128 L HN 0.426 nan 8.230 nan 0.000 0.471 1129 R N 0.743 121.292 120.500 0.081 0.000 2.368 1129 R HA 0.225 4.566 4.340 0.001 0.000 0.302 1129 R C -0.824 175.558 176.300 0.136 0.000 1.002 1129 R CA -0.467 55.685 56.100 0.088 0.000 0.929 1129 R CB 0.703 31.032 30.300 0.047 0.000 1.073 1129 R HN 0.502 nan 8.270 nan 0.000 0.464 1130 F N 4.828 124.775 119.950 -0.005 0.000 2.848 1130 F HA 0.400 4.928 4.527 0.001 0.000 0.321 1130 F C 0.435 176.234 175.800 -0.003 0.000 1.281 1130 F CA -0.721 57.277 58.000 -0.003 0.000 1.209 1130 F CB 0.126 39.111 39.000 -0.025 0.000 1.152 1130 F HN 0.703 nan 8.300 nan 0.000 0.521 1131 G N 1.242 109.947 108.800 -0.158 0.000 2.597 1131 G HA2 -0.085 3.876 3.960 0.001 0.000 0.283 1131 G HA3 -0.085 3.876 3.960 0.001 0.000 0.283 1131 G C 0.906 175.639 174.900 -0.278 0.000 1.319 1131 G CA 0.024 45.022 45.100 -0.171 0.000 1.054 1131 G HN 0.552 nan 8.290 nan 0.000 0.583 1132 E N -0.756 119.343 120.200 -0.167 0.000 2.045 1132 E HA -0.282 4.068 4.350 0.001 0.000 0.212 1132 E C 2.700 179.189 176.600 -0.185 0.000 1.039 1132 E CA 1.771 58.080 56.400 -0.151 0.000 0.860 1132 E CB -0.258 29.389 29.700 -0.088 0.000 0.776 1132 E HN 0.401 nan 8.360 nan 0.000 0.467 1133 M N 0.462 119.973 119.600 -0.149 0.000 2.190 1133 M HA -0.285 4.195 4.480 0.001 0.000 0.252 1133 M C 2.169 178.369 176.300 -0.167 0.000 1.076 1133 M CA 1.911 57.136 55.300 -0.125 0.000 1.079 1133 M CB -1.124 31.419 32.600 -0.095 0.000 1.303 1133 M HN 0.075 nan 8.290 nan 0.000 0.412 1134 E N -0.679 119.338 120.200 -0.305 0.000 2.106 1134 E HA -0.119 4.231 4.350 0.001 0.000 0.192 1134 E C 2.004 178.321 176.600 -0.473 0.000 0.984 1134 E CA 0.955 57.093 56.400 -0.435 0.000 0.806 1134 E CB -0.364 28.838 29.700 -0.831 0.000 0.750 1134 E HN 0.390 nan 8.360 nan 0.000 0.458 1135 R N 1.022 121.201 120.500 -0.535 0.000 2.088 1135 R HA -0.193 4.147 4.340 0.001 0.000 0.232 1135 R C 1.323 177.601 176.300 -0.036 0.000 1.136 1135 R CA 2.013 57.988 56.100 -0.208 0.000 0.926 1135 R CB -0.399 29.818 30.300 -0.139 0.000 0.837 1135 R HN 0.141 nan 8.270 nan 0.000 0.429 1136 D N 0.589 120.953 120.400 -0.060 0.000 2.157 1136 D HA -0.251 4.389 4.640 0.001 0.000 0.191 1136 D C 2.029 178.339 176.300 0.016 0.000 1.004 1136 D CA 1.531 55.520 54.000 -0.018 0.000 0.854 1136 D CB -0.911 39.867 40.800 -0.035 0.000 0.936 1136 D HN 0.327 nan 8.370 nan 0.000 0.446 1137 C N 0.619 119.929 119.300 0.016 0.000 2.393 1137 C HA -0.199 4.261 4.460 0.001 0.000 0.276 1137 C C 2.782 177.878 174.990 0.175 0.000 1.215 1137 C CA 0.807 59.868 59.018 0.071 0.000 1.743 1137 C CB -0.745 27.054 27.740 0.099 0.000 2.044 1137 C HN 0.344 nan 8.230 nan 0.000 0.464 1138 M N 0.105 119.864 119.600 0.265 0.000 2.117 1138 M HA -0.058 4.422 4.480 0.001 0.000 0.262 1138 M C 1.913 178.360 176.300 0.246 0.000 1.065 1138 M CA 1.541 57.053 55.300 0.352 0.000 1.114 1138 M CB -1.424 31.465 32.600 0.483 0.000 1.361 1138 M HN 0.380 nan 8.290 nan 0.000 0.408 1139 I N 0.273 120.941 120.570 0.163 0.000 2.118 1139 I HA -0.345 3.825 4.170 0.001 0.000 0.241 1139 I C 2.612 178.783 176.117 0.091 0.000 1.070 1139 I CA 1.480 62.847 61.300 0.111 0.000 1.327 1139 I CB -0.890 37.150 38.000 0.067 0.000 1.034 1139 I HN 0.254 nan 8.210 nan 0.000 0.405 1140 A N 0.456 123.308 122.820 0.054 0.000 1.870 1140 A HA -0.332 3.988 4.320 0.001 0.000 0.219 1140 A C 2.231 179.823 177.584 0.013 0.000 1.224 1140 A CA 2.207 54.242 52.037 -0.003 0.000 0.650 1140 A CB -1.367 17.590 19.000 -0.071 0.000 0.836 1140 A HN 0.483 nan 8.150 nan 0.000 0.454 1141 H N -1.016 118.078 119.070 0.040 0.000 2.466 1141 H HA -0.117 4.439 4.556 0.001 0.000 0.297 1141 H C 1.882 177.227 175.328 0.029 0.000 1.113 1141 H CA 1.684 57.750 56.048 0.030 0.000 1.273 1141 H CB -0.456 29.326 29.762 0.033 0.000 1.371 1141 H HN 0.849 nan 8.280 nan 0.000 0.528 1142 G N -0.855 108.044 108.800 0.166 0.000 2.175 1142 G HA2 -0.284 3.676 3.960 0.001 0.000 0.244 1142 G HA3 -0.284 3.676 3.960 0.001 0.000 0.244 1142 G C 1.010 175.978 174.900 0.113 0.000 0.982 1142 G CA 0.548 45.714 45.100 0.111 0.000 0.641 1142 G HN 0.695 nan 8.290 nan 0.000 0.527 1143 A N 0.391 123.302 122.820 0.151 0.000 2.167 1143 A HA 0.599 4.919 4.320 0.001 0.000 0.220 1143 A C 2.289 179.980 177.584 0.179 0.000 1.548 1143 A CA 1.527 53.652 52.037 0.147 0.000 1.583 1143 A CB -1.075 18.038 19.000 0.187 0.000 0.761 1143 A HN 2.124 nan 8.150 nan 0.000 0.627 1144 A N 0.699 123.593 122.820 0.122 0.000 2.127 1144 A HA -0.304 4.016 4.320 0.001 0.000 0.225 1144 A C 2.554 180.199 177.584 0.102 0.000 1.543 1144 A CA 2.699 54.796 52.037 0.100 0.000 0.873 1144 A CB -1.538 17.503 19.000 0.068 0.000 0.808 1144 A HN 0.729 nan 8.150 nan 0.000 0.510 1145 S N -0.983 114.770 115.700 0.088 0.000 2.389 1145 S HA -0.256 4.214 4.470 0.001 0.000 0.229 1145 S C 1.652 176.305 174.600 0.088 0.000 1.048 1145 S CA 1.923 60.166 58.200 0.071 0.000 1.117 1145 S CB -0.849 62.388 63.200 0.062 0.000 1.020 1145 S HN 0.681 nan 8.310 nan 0.000 0.430 1146 F N 2.287 122.220 119.950 -0.028 0.000 2.063 1146 F HA -0.250 4.277 4.527 0.001 0.000 0.298 1146 F C 2.109 177.874 175.800 -0.057 0.000 1.105 1146 F CA 1.812 59.779 58.000 -0.056 0.000 1.215 1146 F CB -0.725 38.237 39.000 -0.063 0.000 0.972 1146 F HN 0.193 nan 8.300 nan 0.000 0.483 1147 L N 0.673 121.894 121.223 -0.004 0.000 1.971 1147 L HA -0.303 4.037 4.340 0.001 0.000 0.215 1147 L C 2.781 179.559 176.870 -0.154 0.000 1.072 1147 L CA 2.302 57.091 54.840 -0.086 0.000 0.758 1147 L CB -0.801 41.338 42.059 0.132 0.000 0.889 1147 L HN 0.195 nan 8.230 nan 0.000 0.433 1148 K N 0.086 120.450 120.400 -0.060 0.000 2.020 1148 K HA -0.318 4.003 4.320 0.001 0.000 0.212 1148 K C 2.020 178.548 176.600 -0.120 0.000 1.050 1148 K CA 2.345 58.599 56.287 -0.055 0.000 0.929 1148 K CB -0.445 32.045 32.500 -0.017 0.000 0.714 1148 K HN 0.535 nan 8.250 nan 0.000 0.443 1149 E N -0.030 120.073 120.200 -0.162 0.000 2.097 1149 E HA -0.217 4.133 4.350 0.001 0.000 0.196 1149 E C 1.839 178.274 176.600 -0.275 0.000 1.000 1149 E CA 1.220 57.509 56.400 -0.186 0.000 0.804 1149 E CB 0.140 29.745 29.700 -0.159 0.000 0.740 1149 E HN 0.208 nan 8.360 nan 0.000 0.454 1150 R N -0.081 120.128 120.500 -0.485 0.000 2.193 1150 R HA 0.013 4.354 4.340 0.001 0.000 0.213 1150 R C 2.154 178.301 176.300 -0.255 0.000 1.055 1150 R CA 0.222 56.014 56.100 -0.512 0.000 0.995 1150 R CB -0.409 29.276 30.300 -1.025 0.000 0.893 1150 R HN 0.269 nan 8.270 nan 0.000 0.459 1151 L N -0.344 120.785 121.223 -0.157 0.000 2.270 1151 L HA 0.083 4.424 4.340 0.001 0.000 0.210 1151 L C 1.669 178.527 176.870 -0.019 0.000 1.104 1151 L CA 1.197 56.019 54.840 -0.030 0.000 0.804 1151 L CB -0.230 41.834 42.059 0.008 0.000 0.937 1151 L HN 0.122 nan 8.230 nan 0.000 0.450 1152 M N -1.101 118.474 119.600 -0.043 0.000 3.033 1152 M HA 0.055 4.535 4.480 0.001 0.000 0.178 1152 M C 1.969 178.257 176.300 -0.019 0.000 1.565 1152 M CA 0.426 55.721 55.300 -0.008 0.000 1.488 1152 M CB -0.799 31.800 32.600 -0.002 0.000 0.877 1152 M HN -0.143 nan 8.290 nan 0.000 0.542 1153 E N 1.740 121.916 120.200 -0.041 0.000 2.136 1153 E HA -0.141 4.210 4.350 0.001 0.000 0.202 1153 E C 1.366 177.938 176.600 -0.048 0.000 1.019 1153 E CA 1.889 58.264 56.400 -0.041 0.000 0.819 1153 E CB -0.449 29.217 29.700 -0.057 0.000 0.739 1153 E HN 0.544 nan 8.360 nan 0.000 0.458 1154 A N -0.726 122.045 122.820 -0.083 0.000 2.412 1154 A HA 0.409 4.730 4.320 0.001 0.000 0.253 1154 A C 0.852 178.401 177.584 -0.058 0.000 1.334 1154 A CA 0.629 52.616 52.037 -0.085 0.000 0.929 1154 A CB -0.051 18.864 19.000 -0.141 0.000 0.983 1154 A HN 0.114 nan 8.150 nan 0.000 0.508 1155 S N -1.902 113.780 115.700 -0.030 0.000 4.319 1155 S HA 0.070 4.540 4.470 0.001 0.000 0.257 1155 S C 0.248 174.858 174.600 0.016 0.000 0.986 1155 S CA 0.413 58.608 58.200 -0.007 0.000 1.189 1155 S CB -0.607 62.593 63.200 -0.001 0.000 1.909 1155 S HN 0.175 nan 8.310 nan 0.000 0.462 1156 D N 1.689 122.113 120.400 0.039 0.000 2.242 1156 D HA -0.017 4.623 4.640 0.001 0.000 0.193 1156 D C 0.986 177.366 176.300 0.134 0.000 1.005 1156 D CA 2.137 56.187 54.000 0.084 0.000 0.856 1156 D CB -1.117 39.747 40.800 0.107 0.000 1.001 1156 D HN 1.152 nan 8.370 nan 0.000 0.452 1157 A N 0.101 123.004 122.820 0.139 0.000 1.463 1157 A HA -0.141 4.179 4.320 0.001 0.000 0.231 1157 A C -0.126 177.645 177.584 0.311 0.000 1.159 1157 A CA 0.829 52.972 52.037 0.176 0.000 0.916 1157 A CB -1.352 17.712 19.000 0.106 0.000 1.047 1157 A HN 0.322 nan 8.150 nan 0.000 0.190 1158 F N 2.780 122.815 119.950 0.142 0.000 2.664 1158 F HA 0.844 5.371 4.527 0.001 0.000 0.317 1158 F C -0.280 175.585 175.800 0.110 0.000 1.108 1158 F CA -1.272 56.821 58.000 0.155 0.000 0.957 1158 F CB 1.405 40.549 39.000 0.240 0.000 1.365 1158 F HN 0.685 nan 8.300 nan 0.000 0.475 1159 R N 3.020 122.787 120.500 -1.222 0.000 2.532 1159 R HA 0.685 5.026 4.340 0.001 0.000 0.297 1159 R C -1.876 173.775 176.300 -1.082 0.000 0.984 1159 R CA -0.451 55.059 56.100 -0.985 0.000 0.884 1159 R CB 1.330 31.247 30.300 -0.639 0.000 1.182 1159 R HN 0.710 nan 8.270 nan 0.000 0.442 1160 V N 0.188 119.723 119.914 -0.632 0.000 3.164 1160 V HA 0.690 4.811 4.120 0.001 0.000 0.313 1160 V C -0.502 175.400 176.094 -0.319 0.000 1.188 1160 V CA -0.879 61.245 62.300 -0.292 0.000 1.058 1160 V CB 2.389 34.163 31.823 -0.081 0.000 1.110 1160 V HN 0.743 nan 8.190 nan 0.000 0.453 1161 H N 0.215 119.237 119.070 -0.079 0.000 2.572 1161 H HA 0.708 5.264 4.556 0.001 0.000 0.359 1161 H C -1.071 174.237 175.328 -0.032 0.000 1.134 1161 H CA -0.380 55.623 56.048 -0.076 0.000 1.187 1161 H CB 2.427 32.152 29.762 -0.062 0.000 1.597 1161 H HN 0.576 nan 8.280 nan 0.000 0.524 1162 I N 1.191 121.799 120.570 0.064 0.000 2.693 1162 I HA 0.180 4.350 4.170 0.001 0.000 0.303 1162 I C 0.365 176.524 176.117 0.070 0.000 1.025 1162 I CA -0.946 60.393 61.300 0.065 0.000 1.086 1162 I CB 2.098 40.131 38.000 0.055 0.000 1.268 1162 I HN 0.474 nan 8.210 nan 0.000 0.440 1163 C N 2.972 122.307 119.300 0.059 0.000 2.435 1163 C HA 0.496 4.957 4.460 0.001 0.000 0.375 1163 C C 1.731 176.755 174.990 0.057 0.000 1.281 1163 C CA -0.198 58.848 59.018 0.046 0.000 1.963 1163 C CB 0.078 27.842 27.740 0.041 0.000 2.490 1163 C HN 1.040 nan 8.230 nan 0.000 0.557 1164 G N 4.145 112.991 108.800 0.078 0.000 2.625 1164 G HA2 0.000 3.960 3.960 0.001 0.000 0.214 1164 G HA3 0.000 3.960 3.960 0.001 0.000 0.214 1164 G C 0.933 175.765 174.900 -0.112 0.000 1.132 1164 G CA 1.005 46.161 45.100 0.092 0.000 0.782 1164 G HN 0.842 nan 8.290 nan 0.000 0.538 1165 I N 0.183 120.730 120.570 -0.037 0.000 3.649 1165 I HA 0.086 4.256 4.170 0.001 0.000 0.234 1165 I C 1.193 177.374 176.117 0.107 0.000 1.053 1165 I CA -0.151 61.147 61.300 -0.004 0.000 1.538 1165 I CB -0.358 37.657 38.000 0.025 0.000 1.445 1165 I HN 0.123 nan 8.210 nan 0.000 0.464 1166 C N 2.646 121.999 119.300 0.089 0.000 2.520 1166 C HA 0.482 4.942 4.460 0.001 0.000 0.369 1166 C C 1.519 176.571 174.990 0.103 0.000 1.244 1166 C CA -1.325 57.753 59.018 0.100 0.000 1.677 1166 C CB -1.151 26.621 27.740 0.054 0.000 2.324 1166 C HN 0.659 nan 8.230 nan 0.000 0.557 1167 G N 4.333 113.238 108.800 0.175 0.000 3.272 1167 G HA2 0.226 4.186 3.960 0.001 0.000 0.220 1167 G HA3 0.226 4.186 3.960 0.001 0.000 0.220 1167 G C 0.161 175.062 174.900 0.001 0.000 1.130 1167 G CA 0.008 45.184 45.100 0.127 0.000 1.657 1167 G HN 0.851 nan 8.290 nan 0.000 0.557 1168 L N -1.093 120.137 121.223 0.011 0.000 2.331 1168 L HA 0.423 4.764 4.340 0.001 0.000 0.268 1168 L C 1.518 178.403 176.870 0.024 0.000 1.015 1168 L CA -1.091 53.746 54.840 -0.005 0.000 0.807 1168 L CB 1.465 43.529 42.059 0.008 0.000 1.293 1168 L HN 0.056 nan 8.230 nan 0.000 0.451 1169 M N -0.265 119.359 119.600 0.040 0.000 2.563 1169 M HA -0.001 4.480 4.480 0.001 0.000 0.231 1169 M C 1.463 177.812 176.300 0.081 0.000 1.136 1169 M CA 0.189 55.534 55.300 0.074 0.000 1.026 1169 M CB -0.576 32.086 32.600 0.102 0.000 1.597 1169 M HN 0.795 nan 8.290 nan 0.000 0.495 1170 T N 0.864 115.456 114.554 0.064 0.000 2.620 1170 T HA -0.149 4.201 4.350 0.001 0.000 0.267 1170 T C 1.069 175.814 174.700 0.074 0.000 1.044 1170 T CA 0.789 62.926 62.100 0.062 0.000 1.161 1170 T CB -0.951 67.947 68.868 0.050 0.000 0.862 1170 T HN 0.287 nan 8.240 nan 0.000 0.438 1171 V N 2.695 122.659 119.914 0.083 0.000 2.963 1171 V HA -0.135 3.985 4.120 0.001 0.000 0.282 1171 V C 0.591 176.744 176.094 0.098 0.000 1.426 1171 V CA 0.345 62.705 62.300 0.101 0.000 1.447 1171 V CB -0.380 31.517 31.823 0.124 0.000 0.849 1171 V HN 0.396 nan 8.190 nan 0.000 0.500 1172 I N 4.769 125.395 120.570 0.093 0.000 2.318 1172 I HA 0.311 4.481 4.170 0.001 0.000 0.285 1172 I C 0.905 177.040 176.117 0.029 0.000 1.127 1172 I CA -0.509 60.823 61.300 0.054 0.000 1.243 1172 I CB 0.163 38.184 38.000 0.034 0.000 1.498 1172 I HN 0.764 nan 8.210 nan 0.000 0.535 1173 A N 5.858 128.680 122.820 0.004 0.000 2.500 1173 A HA 0.100 4.420 4.320 0.001 0.000 0.285 1173 A C 1.049 178.520 177.584 -0.189 0.000 1.183 1173 A CA 0.116 52.087 52.037 -0.111 0.000 0.851 1173 A CB -0.301 18.472 19.000 -0.378 0.000 1.091 1173 A HN 0.569 nan 8.150 nan 0.000 0.521 1174 K N 2.799 122.999 120.400 -0.333 0.000 2.577 1174 K HA 0.190 4.511 4.320 0.001 0.000 0.210 1174 K C -0.204 176.212 176.600 -0.307 0.000 1.048 1174 K CA -0.229 55.898 56.287 -0.267 0.000 1.188 1174 K CB -0.203 32.166 32.500 -0.219 0.000 0.910 1174 K HN 0.814 nan 8.250 nan 0.000 0.483 1175 L N 1.869 122.920 121.223 -0.287 0.000 7.870 1175 L HA -0.299 4.042 4.340 0.001 0.000 0.413 1175 L C 0.866 177.629 176.870 -0.178 0.000 1.765 1175 L CA 0.516 55.254 54.840 -0.170 0.000 0.517 1175 L CB -1.282 40.761 42.059 -0.027 0.000 1.412 1175 L HN 0.531 nan 8.230 nan 0.000 0.250 1176 N N -1.193 117.356 118.700 -0.250 0.000 2.454 1176 N HA -0.057 4.683 4.740 0.001 0.000 0.321 1176 N C 0.893 176.232 175.510 -0.285 0.000 0.690 1176 N CA -0.026 52.842 53.050 -0.304 0.000 0.556 1176 N CB 0.411 38.615 38.487 -0.471 0.000 2.430 1176 N HN 0.494 nan 8.380 nan 0.000 1.189 1177 H N 1.539 120.518 119.070 -0.152 0.000 2.784 1177 H HA 0.417 4.974 4.556 0.001 0.000 0.273 1177 H C 0.408 175.605 175.328 -0.218 0.000 1.112 1177 H CA -0.152 55.811 56.048 -0.142 0.000 1.162 1177 H CB 0.286 29.976 29.762 -0.121 0.000 1.586 1177 H HN 0.325 nan 8.280 nan 0.000 0.548 1178 N N 0.695 119.241 118.700 -0.256 0.000 2.922 1178 N HA -0.259 4.481 4.740 0.001 0.000 0.224 1178 N C 0.010 174.967 175.510 -0.921 0.000 0.833 1178 N CA 1.071 53.793 53.050 -0.546 0.000 1.103 1178 N CB -0.947 37.416 38.487 -0.205 0.000 1.000 1178 N HN 0.487 nan 8.380 nan 0.000 0.621 1179 Q N -0.334 119.198 119.800 -0.448 0.000 2.568 1179 Q HA -0.073 4.267 4.340 0.001 0.000 0.367 1179 Q C 0.416 176.100 176.000 -0.527 0.000 1.138 1179 Q CA 1.000 56.612 55.803 -0.319 0.000 1.109 1179 Q CB -0.005 28.642 28.738 -0.151 0.000 1.138 1179 Q HN 0.424 nan 8.270 nan 0.000 0.419 1180 F N -0.057 119.869 119.950 -0.040 0.000 2.784 1180 F HA 0.064 4.591 4.527 0.001 0.000 0.323 1180 F C 1.367 177.144 175.800 -0.038 0.000 1.085 1180 F CA -0.298 57.666 58.000 -0.059 0.000 1.196 1180 F CB 0.617 39.580 39.000 -0.061 0.000 1.053 1180 F HN 0.634 nan 8.300 nan 0.000 0.578 1181 E N -0.056 120.218 120.200 0.124 0.000 3.663 1181 E HA -0.570 3.780 4.350 0.001 0.000 0.457 1181 E C 1.412 178.058 176.600 0.076 0.000 1.577 1181 E CA 2.651 59.096 56.400 0.075 0.000 1.373 1181 E CB -1.208 28.517 29.700 0.041 0.000 1.259 1181 E HN 0.554 nan 8.360 nan 0.000 0.343 1182 C N 1.067 120.409 119.300 0.070 0.000 4.475 1182 C HA -0.186 4.274 4.460 0.001 0.000 0.280 1182 C C 0.863 175.880 174.990 0.044 0.000 1.338 1182 C CA 1.368 60.422 59.018 0.060 0.000 1.893 1182 C CB -2.507 25.271 27.740 0.063 0.000 1.299 1182 C HN 0.631 nan 8.230 nan 0.000 0.767 1183 K N 0.975 121.398 120.400 0.038 0.000 2.448 1183 K HA 0.302 4.623 4.320 0.001 0.000 0.267 1183 K C 1.559 178.176 176.600 0.027 0.000 0.974 1183 K CA 1.054 57.358 56.287 0.029 0.000 0.900 1183 K CB -0.487 32.027 32.500 0.024 0.000 0.936 1183 K HN 2.134 nan 8.250 nan 0.000 0.531 1184 G N -0.059 108.755 108.800 0.022 0.000 2.900 1184 G HA2 -0.398 3.562 3.960 0.001 0.000 0.223 1184 G HA3 -0.398 3.562 3.960 0.001 0.000 0.223 1184 G C 1.261 176.174 174.900 0.021 0.000 1.293 1184 G CA 0.330 45.443 45.100 0.021 0.000 0.792 1184 G HN 0.799 nan 8.290 nan 0.000 0.527 1185 C N 1.381 120.696 119.300 0.025 0.000 2.590 1185 C HA 0.413 4.873 4.460 0.001 0.000 0.272 1185 C C 0.991 175.995 174.990 0.023 0.000 1.338 1185 C CA 1.081 60.114 59.018 0.025 0.000 1.746 1185 C CB -1.069 26.688 27.740 0.030 0.000 2.020 1185 C HN 0.926 nan 8.230 nan 0.000 0.531 1186 D N 1.327 121.741 120.400 0.024 0.000 3.845 1186 D HA -0.167 4.473 4.640 0.001 0.000 0.227 1186 D C 0.068 176.381 176.300 0.022 0.000 1.092 1186 D CA 0.805 54.818 54.000 0.023 0.000 1.148 1186 D CB -0.674 40.137 40.800 0.018 0.000 0.803 1186 D HN 0.629 nan 8.370 nan 0.000 0.395 1187 N N 2.369 121.086 118.700 0.028 0.000 3.327 1187 N HA 0.086 4.826 4.740 0.001 0.000 0.196 1187 N C 0.806 176.336 175.510 0.033 0.000 1.296 1187 N CA 0.848 53.912 53.050 0.023 0.000 1.122 1187 N CB 0.249 38.747 38.487 0.019 0.000 1.279 1187 N HN 0.534 nan 8.380 nan 0.000 0.559 1188 K N -0.449 119.986 120.400 0.058 0.000 3.547 1188 K HA -0.154 4.166 4.320 0.001 0.000 0.309 1188 K C 0.646 177.299 176.600 0.088 0.000 1.324 1188 K CA 1.109 57.454 56.287 0.096 0.000 0.988 1188 K CB -1.007 31.530 32.500 0.063 0.000 1.261 1188 K HN 0.448 nan 8.250 nan 0.000 0.444 1189 I N -0.876 119.713 120.570 0.031 0.000 4.399 1189 I HA 0.049 4.220 4.170 0.001 0.000 0.301 1189 I C -0.455 175.616 176.117 -0.076 0.000 1.198 1189 I CA -0.175 61.124 61.300 -0.002 0.000 1.315 1189 I CB 0.739 38.737 38.000 -0.003 0.000 1.452 1189 I HN 0.162 nan 8.210 nan 0.000 0.457 1190 D N 2.087 122.433 120.400 -0.089 0.000 2.467 1190 D HA 0.490 5.130 4.640 0.001 0.000 0.220 1190 D C -0.729 175.437 176.300 -0.224 0.000 1.103 1190 D CA 0.173 54.077 54.000 -0.159 0.000 0.886 1190 D CB 0.420 41.178 40.800 -0.071 0.000 1.025 1190 D HN 0.094 nan 8.370 nan 0.000 0.514 1191 I N 2.760 123.059 120.570 -0.451 0.000 2.894 1191 I HA 0.386 4.557 4.170 0.001 0.000 0.302 1191 I C -1.182 174.470 176.117 -0.775 0.000 1.188 1191 I CA -0.983 60.044 61.300 -0.454 0.000 1.014 1191 I CB 1.846 39.591 38.000 -0.426 0.000 1.242 1191 I HN 0.240 nan 8.210 nan 0.000 0.430 1192 Y N 1.928 122.107 120.300 -0.200 0.000 2.605 1192 Y HA 0.500 5.051 4.550 0.001 0.000 0.343 1192 Y C -0.364 175.378 175.900 -0.264 0.000 1.036 1192 Y CA -0.754 57.226 58.100 -0.200 0.000 1.065 1192 Y CB 1.571 39.937 38.460 -0.156 0.000 1.288 1192 Y HN 0.365 nan 8.280 nan 0.000 0.481 1193 Q N 3.233 122.945 119.800 -0.147 0.000 2.316 1193 Q HA 0.759 5.100 4.340 0.001 0.000 0.264 1193 Q C -1.478 174.350 176.000 -0.287 0.000 0.987 1193 Q CA -0.776 54.777 55.803 -0.415 0.000 0.852 1193 Q CB 1.635 30.131 28.738 -0.404 0.000 1.287 1193 Q HN 0.752 nan 8.270 nan 0.000 0.448 1194 I N -0.387 119.960 120.570 -0.373 0.000 2.802 1194 I HA 0.502 4.672 4.170 0.001 0.000 0.298 1194 I C -1.218 174.680 176.117 -0.365 0.000 1.176 1194 I CA -1.039 60.110 61.300 -0.252 0.000 1.025 1194 I CB 2.342 40.280 38.000 -0.103 0.000 1.243 1194 I HN 0.571 nan 8.210 nan 0.000 0.424 1195 H N 6.193 125.217 119.070 -0.077 0.000 2.519 1195 H HA 0.716 5.272 4.556 0.001 0.000 0.316 1195 H C -0.401 174.923 175.328 -0.008 0.000 1.065 1195 H CA -0.244 55.770 56.048 -0.057 0.000 1.264 1195 H CB 2.030 31.770 29.762 -0.038 0.000 1.413 1195 H HN 0.747 nan 8.280 nan 0.000 0.465 1196 I N 0.553 121.187 120.570 0.106 0.000 3.352 1196 I HA 0.575 4.745 4.170 0.001 0.000 0.316 1196 I C -3.034 173.162 176.117 0.133 0.000 1.214 1196 I CA -2.864 58.498 61.300 0.103 0.000 0.934 1196 I CB 2.942 41.000 38.000 0.097 0.000 1.310 1196 I HN 0.174 nan 8.210 nan 0.000 0.475 1197 P HA 0.119 nan 4.420 nan 0.000 0.293 1197 P C -0.098 177.288 177.300 0.145 0.000 1.300 1197 P CA 0.019 63.192 63.100 0.122 0.000 0.792 1197 P CB 0.858 32.592 31.700 0.056 0.000 0.925 1198 Y N 4.407 124.788 120.300 0.135 0.000 2.332 1198 Y HA -0.330 4.221 4.550 0.001 0.000 0.283 1198 Y C 2.191 178.074 175.900 -0.028 0.000 1.186 1198 Y CA 2.246 60.391 58.100 0.075 0.000 1.266 1198 Y CB -0.560 37.828 38.460 -0.121 0.000 0.973 1198 Y HN 0.493 nan 8.280 nan 0.000 0.548 1199 A N 0.289 123.141 122.820 0.053 0.000 1.845 1199 A HA -0.117 4.204 4.320 0.001 0.000 0.215 1199 A C 2.470 179.923 177.584 -0.218 0.000 1.195 1199 A CA 1.925 53.934 52.037 -0.046 0.000 0.616 1199 A CB -1.577 17.414 19.000 -0.016 0.000 0.832 1199 A HN 0.577 nan 8.150 nan 0.000 0.443 1200 A N -0.025 122.630 122.820 -0.274 0.000 1.940 1200 A HA -0.200 4.120 4.320 0.001 0.000 0.219 1200 A C 2.169 179.255 177.584 -0.829 0.000 1.176 1200 A CA 2.144 53.814 52.037 -0.612 0.000 0.631 1200 A CB -0.517 18.160 19.000 -0.539 0.000 0.814 1200 A HN 0.530 nan 8.150 nan 0.000 0.446 1201 K N -0.222 119.939 120.400 -0.399 0.000 2.020 1201 K HA -0.218 4.102 4.320 0.001 0.000 0.212 1201 K C 1.946 178.393 176.600 -0.255 0.000 1.050 1201 K CA 2.053 58.221 56.287 -0.198 0.000 0.929 1201 K CB -0.650 31.769 32.500 -0.135 0.000 0.714 1201 K HN 0.348 nan 8.250 nan 0.000 0.443 1202 L N 1.734 122.714 121.223 -0.405 0.000 1.956 1202 L HA -0.215 4.125 4.340 0.001 0.000 0.216 1202 L C 2.649 179.421 176.870 -0.163 0.000 1.073 1202 L CA 1.785 56.456 54.840 -0.282 0.000 0.762 1202 L CB -0.898 41.008 42.059 -0.256 0.000 0.889 1202 L HN 0.389 nan 8.230 nan 0.000 0.433 1203 L N -1.088 119.994 121.223 -0.235 0.000 2.230 1203 L HA -0.307 4.034 4.340 0.001 0.000 0.217 1203 L C 2.056 178.923 176.870 -0.005 0.000 1.090 1203 L CA 2.005 56.735 54.840 -0.183 0.000 0.771 1203 L CB -0.633 41.225 42.059 -0.335 0.000 0.892 1203 L HN 0.343 nan 8.230 nan 0.000 0.438 1204 F N -1.304 118.623 119.950 -0.038 0.000 2.179 1204 F HA -0.112 4.415 4.527 0.001 0.000 0.292 1204 F C 2.532 178.319 175.800 -0.022 0.000 1.089 1204 F CA 0.632 58.617 58.000 -0.025 0.000 1.295 1204 F CB -0.240 38.748 39.000 -0.020 0.000 1.041 1204 F HN 0.050 nan 8.300 nan 0.000 0.487 1205 Q N 0.647 120.549 119.800 0.170 0.000 2.124 1205 Q HA -0.198 4.142 4.340 0.001 0.000 0.202 1205 Q C 1.871 177.909 176.000 0.063 0.000 0.977 1205 Q CA 1.545 57.400 55.803 0.087 0.000 0.850 1205 Q CB -0.222 28.542 28.738 0.044 0.000 0.901 1205 Q HN 0.486 nan 8.270 nan 0.000 0.429 1206 E N 0.516 120.746 120.200 0.048 0.000 2.085 1206 E HA -0.188 4.162 4.350 0.001 0.000 0.194 1206 E C 2.028 178.657 176.600 0.049 0.000 0.994 1206 E CA 0.902 57.322 56.400 0.033 0.000 0.801 1206 E CB -0.109 29.597 29.700 0.009 0.000 0.743 1206 E HN 0.368 nan 8.360 nan 0.000 0.453 1207 L N 0.136 121.409 121.223 0.083 0.000 2.109 1207 L HA -0.128 4.212 4.340 0.001 0.000 0.207 1207 L C 2.582 179.484 176.870 0.052 0.000 1.086 1207 L CA 0.804 55.689 54.840 0.075 0.000 0.760 1207 L CB -0.286 41.842 42.059 0.115 0.000 0.910 1207 L HN 0.239 nan 8.230 nan 0.000 0.437 1208 M N -0.393 119.243 119.600 0.059 0.000 2.117 1208 M HA -0.201 4.280 4.480 0.001 0.000 0.262 1208 M C 2.384 178.701 176.300 0.029 0.000 1.065 1208 M CA 1.968 57.290 55.300 0.037 0.000 1.114 1208 M CB -0.340 32.285 32.600 0.043 0.000 1.361 1208 M HN 0.287 nan 8.290 nan 0.000 0.408 1209 A N -0.380 122.459 122.820 0.032 0.000 2.131 1209 A HA -0.130 4.191 4.320 0.001 0.000 0.220 1209 A C 1.666 179.262 177.584 0.020 0.000 1.158 1209 A CA 1.308 53.360 52.037 0.025 0.000 0.665 1209 A CB -0.637 18.377 19.000 0.024 0.000 0.795 1209 A HN 0.544 nan 8.150 nan 0.000 0.460 1210 M N -0.353 119.259 119.600 0.020 0.000 2.866 1210 M HA 0.177 4.657 4.480 0.001 0.000 0.319 1210 M C 0.315 176.622 176.300 0.011 0.000 1.244 1210 M CA -0.283 55.026 55.300 0.015 0.000 0.974 1210 M CB -0.008 32.601 32.600 0.016 0.000 1.291 1210 M HN 0.391 nan 8.290 nan 0.000 0.513 1211 N N 1.907 120.614 118.700 0.011 0.000 2.710 1211 N HA -0.179 4.561 4.740 0.001 0.000 0.249 1211 N C -1.237 174.274 175.510 0.002 0.000 1.059 1211 N CA 0.690 53.744 53.050 0.006 0.000 0.720 1211 N CB -0.335 38.155 38.487 0.004 0.000 0.983 1211 N HN 0.343 nan 8.380 nan 0.000 0.544 1212 I N 1.450 122.023 120.570 0.004 0.000 2.378 1212 I HA 0.168 4.338 4.170 0.001 0.000 0.291 1212 I C 0.641 176.749 176.117 -0.014 0.000 0.992 1212 I CA -0.319 60.979 61.300 -0.004 0.000 1.154 1212 I CB 1.589 39.593 38.000 0.007 0.000 1.315 1212 I HN 0.073 nan 8.210 nan 0.000 0.448 1213 T N 4.922 119.456 114.554 -0.034 0.000 2.781 1213 T HA 0.515 4.865 4.350 0.001 0.000 0.305 1213 T C -2.220 172.420 174.700 -0.101 0.000 1.001 1213 T CA -1.540 60.525 62.100 -0.058 0.000 0.950 1213 T CB 0.960 69.797 68.868 -0.051 0.000 0.955 1213 T HN 0.407 nan 8.240 nan 0.000 0.471 1214 P HA 0.311 nan 4.420 nan 0.000 0.212 1214 P C -0.167 176.925 177.300 -0.348 0.000 1.860 1214 P CA -0.716 62.223 63.100 -0.268 0.000 1.135 1214 P CB 0.427 31.911 31.700 -0.361 0.000 1.801 1215 R N 2.131 122.496 120.500 -0.225 0.000 2.643 1215 R HA 0.375 4.716 4.340 0.001 0.000 0.270 1215 R C 0.249 176.450 176.300 -0.165 0.000 1.061 1215 R CA -0.301 55.700 56.100 -0.165 0.000 1.107 1215 R CB 0.630 30.853 30.300 -0.128 0.000 0.999 1215 R HN 0.454 nan 8.270 nan 0.000 0.460 1216 L N 2.969 124.166 121.223 -0.043 0.000 2.362 1216 L HA 0.417 4.757 4.340 0.001 0.000 0.275 1216 L C -1.032 175.978 176.870 0.233 0.000 0.998 1216 L CA -0.919 53.925 54.840 0.006 0.000 0.820 1216 L CB 1.148 43.164 42.059 -0.071 0.000 1.270 1216 L HN 0.395 nan 8.230 nan 0.000 0.415 1217 Y N 0.605 120.822 120.300 -0.138 0.000 2.364 1217 Y HA 0.213 4.764 4.550 0.001 0.000 0.340 1217 Y C 1.381 177.161 175.900 -0.200 0.000 0.975 1217 Y CA -1.333 56.671 58.100 -0.160 0.000 1.089 1217 Y CB 2.156 40.545 38.460 -0.118 0.000 1.192 1217 Y HN 0.627 nan 8.280 nan 0.000 0.454 1218 T N -1.307 113.056 114.554 -0.319 0.000 3.035 1218 T HA -0.021 4.330 4.350 0.001 0.000 0.268 1218 T C 0.196 174.760 174.700 -0.226 0.000 1.109 1218 T CA 1.244 63.117 62.100 -0.380 0.000 1.119 1218 T CB -0.248 68.105 68.868 -0.858 0.000 0.900 1218 T HN 0.653 nan 8.240 nan 0.000 0.503 1219 D N 0.555 120.857 120.400 -0.162 0.000 2.726 1219 D HA 0.629 5.269 4.640 0.001 0.000 0.241 1219 D C -0.063 176.252 176.300 0.026 0.000 1.150 1219 D CA -1.209 52.750 54.000 -0.067 0.000 1.089 1219 D CB 0.980 41.732 40.800 -0.079 0.000 1.260 1219 D HN 0.453 nan 8.370 nan 0.000 0.637 1220 R N -2.579 117.946 120.500 0.042 0.000 2.747 1220 R HA 0.661 5.001 4.340 0.001 0.000 0.272 1220 R C -0.989 175.347 176.300 0.060 0.000 1.032 1220 R CA -0.496 55.643 56.100 0.065 0.000 0.896 1220 R CB 1.157 31.481 30.300 0.039 0.000 1.253 1220 R HN 0.554 nan 8.270 nan 0.000 0.461 1221 S N -0.901 114.831 115.700 0.053 0.000 2.917 1221 S HA 0.092 4.562 4.470 0.001 0.000 0.269 1221 S C 1.635 176.259 174.600 0.041 0.000 1.072 1221 S CA -0.125 58.103 58.200 0.046 0.000 0.967 1221 S CB -0.187 63.044 63.200 0.051 0.000 0.906 1221 S HN 0.643 nan 8.310 nan 0.000 0.463 1222 R N 1.859 122.378 120.500 0.031 0.000 2.185 1222 R HA -0.180 4.161 4.340 0.001 0.000 0.247 1222 R C 0.571 176.924 176.300 0.088 0.000 1.159 1222 R CA 1.956 58.078 56.100 0.037 0.000 0.988 1222 R CB -0.476 29.825 30.300 0.001 0.000 0.871 1222 R HN 0.490 nan 8.270 nan 0.000 0.458 1223 D N -2.007 118.445 120.400 0.087 0.000 4.471 1223 D HA -0.362 4.278 4.640 0.001 0.000 0.191 1223 D C 0.388 176.811 176.300 0.205 0.000 0.625 1223 D CA 1.989 56.055 54.000 0.109 0.000 1.190 1223 D CB -0.850 40.000 40.800 0.083 0.000 0.677 1223 D HN 0.180 nan 8.370 nan 0.000 0.467 1224 F N 0.000 119.949 119.950 -0.001 0.000 2.286 1224 F HA 0.000 4.527 4.527 0.001 0.000 0.279 1224 F CA 0.000 57.999 58.000 -0.002 0.000 1.383 1224 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574