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 3gtq_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGXXXX XXXXXKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGEQ DATA SEQUENCE KKAMSSRAGV SQVLNRYTYS STLSHLRRTN TPIXXXXXXA KPRQLHNTHW DATA SEQUENCE GLVCPAETPE GQACGLVKNL SLMSCISVGT DPMPIITFLS EWGMEPLEDY DATA SEQUENCE VPHQSPDATR VFVNGVWHGV HRNPARLMET LRTLRRKGDI NPEVSMIRDI DATA SEQUENCE REKELKIFTD AGRVYRPLFI VEDDESLGHK ELKVRKGHIA KLMATEYQDX DATA SEQUENCE XXXXXXXXEY TWSSLLNEGL VEYIDAEEEE SILIAMQPED LEPAEAXXXX DATA SEQUENCE XXDVDPAKRI RVSHHATTFT HCEIHPSMIL GVAASIIPFP DHNQSPRNTY DATA SEQUENCE QSAMGKQAMG VFLTNYNVRM DTMANILYYP QKPLGTTRAM EYLKFRELPA DATA SEQUENCE GQNAIVAIAC YSGYNQEDSM IMNQSSIDRG LFRSLFFRSY MDQEKKYGMS DATA SEQUENCE ITETFEKPQR TNTLRMKHGT YDKLDDDGLI APGVRVSGED VIIGKTTPIS DATA SEQUENCE XXXXXXXXXX XXXSKRDAST PLRSTENGIV DQVLVTTNQD GLKFVKVRVR DATA SEQUENCE TTKIPQIGDK FASRHGQKGT IGITYRREDM PFTAEGIVPD LIINPHAIPS DATA SEQUENCE RMTVAHLIEC LLSKVAALSG NEGDASPFTD ITVEGISKLL REHGYQSRGF DATA SEQUENCE EVMYNGHTGK KLMAQIFFGP TYYQRLRHMV DDKIHARARG PMQVLTRQPV DATA SEQUENCE EGRSRDGGLR FGEMERDCMI AHGAASFLKE RLMEASDAFR VHICGIcGLM DATA SEQUENCE TVIAKLNHNQ FECKGcDNKI DIYQIHIPYA AKLLFQELMA MNITPRLYTD DATA SEQUENCE RSRDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.279 176.300 -0.035 0.000 2.045 20 D CA 0.000 53.989 54.000 -0.018 0.000 0.868 20 D CB 0.000 40.793 40.800 -0.012 0.000 0.688 21 E N -1.113 119.058 120.200 -0.048 0.000 4.560 21 E HA -0.374 3.979 4.350 0.005 0.000 0.192 21 E C 0.551 177.079 176.600 -0.120 0.000 1.355 21 E CA 2.458 58.805 56.400 -0.088 0.000 2.225 21 E CB -1.614 28.035 29.700 -0.085 0.000 1.915 21 E HN 0.077 nan 8.360 nan 0.000 0.298 22 S N 1.285 116.933 115.700 -0.086 0.000 2.593 22 S HA 0.451 4.925 4.470 0.005 0.000 0.217 22 S C 0.600 175.165 174.600 -0.058 0.000 0.966 22 S CA 0.115 58.265 58.200 -0.084 0.000 0.914 22 S CB 0.238 63.402 63.200 -0.060 0.000 0.776 22 S HN 0.653 nan 8.310 nan 0.000 0.523 23 A N 3.154 125.947 122.820 -0.045 0.000 2.327 23 A HA 0.483 4.806 4.320 0.005 0.000 0.255 23 A C -2.136 175.434 177.584 -0.024 0.000 1.099 23 A CA -1.157 50.867 52.037 -0.022 0.000 0.801 23 A CB -0.273 18.720 19.000 -0.013 0.000 1.062 23 A HN 0.167 nan 8.150 nan 0.000 0.496 24 P HA 0.356 nan 4.420 nan 0.000 0.276 24 P C -0.391 176.897 177.300 -0.020 0.000 1.261 24 P CA -0.179 62.910 63.100 -0.018 0.000 0.800 24 P CB 0.392 32.084 31.700 -0.013 0.000 1.066 25 I N -0.680 119.867 120.570 -0.039 0.000 3.562 25 I HA 0.473 4.646 4.170 0.005 0.000 0.285 25 I C 0.512 176.635 176.117 0.010 0.000 1.211 25 I CA -0.391 60.901 61.300 -0.013 0.000 0.887 25 I CB 0.095 38.065 38.000 -0.050 0.000 1.581 25 I HN 0.309 nan 8.210 nan 0.000 0.735 26 T N -1.347 113.239 114.554 0.053 0.000 2.894 26 T HA 0.459 4.812 4.350 0.005 0.000 0.309 26 T C 0.467 175.239 174.700 0.120 0.000 1.208 26 T CA -0.257 61.884 62.100 0.067 0.000 1.016 26 T CB 1.656 70.565 68.868 0.068 0.000 1.192 26 T HN 0.671 nan 8.240 nan 0.000 0.491 27 A N 0.678 123.566 122.820 0.114 0.000 2.009 27 A HA -0.195 4.128 4.320 0.005 0.000 0.222 27 A C 2.103 179.849 177.584 0.270 0.000 1.175 27 A CA 1.891 54.022 52.037 0.158 0.000 0.651 27 A CB -0.660 18.410 19.000 0.117 0.000 0.815 27 A HN 0.838 nan 8.150 nan 0.000 0.459 28 E N -0.050 120.301 120.200 0.253 0.000 2.107 28 E HA -0.138 4.215 4.350 0.005 0.000 0.191 28 E C 0.973 177.770 176.600 0.328 0.000 0.982 28 E CA 0.936 57.526 56.400 0.316 0.000 0.809 28 E CB -0.302 29.527 29.700 0.214 0.000 0.756 28 E HN 0.564 nan 8.360 nan 0.000 0.459 29 D N 0.023 120.571 120.400 0.246 0.000 2.392 29 D HA -0.031 4.612 4.640 0.005 0.000 0.228 29 D C 1.593 178.062 176.300 0.282 0.000 1.003 29 D CA 0.255 54.397 54.000 0.237 0.000 0.917 29 D CB 0.251 41.157 40.800 0.177 0.000 0.890 29 D HN 0.041 nan 8.370 nan 0.000 0.532 30 S N -0.169 115.701 115.700 0.284 0.000 2.357 30 S HA -0.137 4.336 4.470 0.005 0.000 0.221 30 S C 1.517 176.157 174.600 0.067 0.000 1.031 30 S CA 0.475 58.792 58.200 0.194 0.000 0.982 30 S CB -0.435 62.818 63.200 0.089 0.000 0.853 30 S HN 0.439 nan 8.310 nan 0.000 0.458 31 W N 2.187 123.614 121.300 0.211 0.000 2.632 31 W HA 0.143 4.806 4.660 0.005 0.000 0.248 31 W C 2.370 179.014 176.519 0.208 0.000 1.259 31 W CA 0.334 57.792 57.345 0.188 0.000 1.288 31 W CB -0.439 29.119 29.460 0.164 0.000 1.136 31 W HN 0.324 nan 8.180 nan 0.000 0.640 32 A N -0.296 122.746 122.820 0.370 0.000 1.872 32 A HA -0.107 4.216 4.320 0.005 0.000 0.214 32 A C 2.006 179.755 177.584 0.275 0.000 1.187 32 A CA 1.800 54.023 52.037 0.311 0.000 0.614 32 A CB -0.900 18.268 19.000 0.279 0.000 0.826 32 A HN 0.073 nan 8.150 nan 0.000 0.442 33 V N 0.103 120.168 119.914 0.251 0.000 2.307 33 V HA -0.235 3.888 4.120 0.005 0.000 0.245 33 V C 2.386 178.551 176.094 0.118 0.000 1.045 33 V CA 1.819 64.261 62.300 0.236 0.000 1.024 33 V CB -0.724 31.239 31.823 0.233 0.000 0.651 33 V HN 0.544 nan 8.190 nan 0.000 0.449 34 I N 0.032 120.600 120.570 -0.003 0.000 2.069 34 I HA -0.319 3.854 4.170 0.005 0.000 0.237 34 I C 2.714 178.838 176.117 0.012 0.000 1.053 34 I CA 2.039 63.294 61.300 -0.075 0.000 1.311 34 I CB -0.431 37.516 38.000 -0.089 0.000 1.030 34 I HN 0.236 nan 8.210 nan 0.000 0.398 35 S N 0.225 116.010 115.700 0.141 0.000 2.400 35 S HA -0.316 4.157 4.470 0.005 0.000 0.234 35 S C 2.069 176.752 174.600 0.138 0.000 1.049 35 S CA 1.598 59.902 58.200 0.172 0.000 1.039 35 S CB -0.475 62.958 63.200 0.389 0.000 0.856 35 S HN 0.597 nan 8.310 nan 0.000 0.465 36 A N 0.616 123.533 122.820 0.162 0.000 1.873 36 A HA 0.090 4.413 4.320 0.005 0.000 0.215 36 A C 0.939 178.567 177.584 0.074 0.000 1.186 36 A CA 0.634 52.777 52.037 0.178 0.000 0.616 36 A CB -0.606 18.560 19.000 0.277 0.000 0.823 36 A HN 0.452 nan 8.150 nan 0.000 0.442 37 F N -1.652 118.100 119.950 -0.330 0.000 2.535 37 F HA 0.325 4.855 4.527 0.005 0.000 0.332 37 F C 0.881 176.341 175.800 -0.567 0.000 1.208 37 F CA 0.662 58.091 58.000 -0.953 0.000 1.330 37 F CB 0.046 38.019 39.000 -1.711 0.000 1.167 37 F HN 0.410 nan 8.300 nan 0.000 0.597 38 F N -0.615 118.512 119.950 -1.372 0.000 2.532 38 F HA -0.420 4.110 4.527 0.005 0.000 0.720 38 F C 2.105 177.644 175.800 -0.436 0.000 0.486 38 F CA 1.257 58.771 58.000 -0.810 0.000 0.788 38 F CB -1.260 37.426 39.000 -0.522 0.000 1.642 38 F HN 0.425 nan 8.300 nan 0.000 0.271 39 R N 0.691 121.158 120.500 -0.054 0.000 2.165 39 R HA -0.254 4.089 4.340 0.005 0.000 0.254 39 R C 1.752 178.014 176.300 -0.063 0.000 1.153 39 R CA 2.438 58.529 56.100 -0.015 0.000 0.971 39 R CB -0.649 29.675 30.300 0.041 0.000 0.878 39 R HN 0.672 nan 8.270 nan 0.000 0.449 40 E N 0.738 120.853 120.200 -0.141 0.000 2.022 40 E HA -0.122 4.231 4.350 0.005 0.000 0.190 40 E C 1.215 177.711 176.600 -0.173 0.000 0.973 40 E CA 0.898 57.235 56.400 -0.106 0.000 0.816 40 E CB 0.129 29.827 29.700 -0.004 0.000 0.781 40 E HN 0.314 nan 8.360 nan 0.000 0.456 41 K N -0.122 120.055 120.400 -0.371 0.000 2.437 41 K HA 0.285 4.608 4.320 0.005 0.000 0.205 41 K C 0.892 177.322 176.600 -0.282 0.000 1.026 41 K CA 0.344 56.458 56.287 -0.289 0.000 1.153 41 K CB 0.887 33.253 32.500 -0.224 0.000 0.863 41 K HN 0.332 nan 8.250 nan 0.000 0.502 42 G N 1.792 110.446 108.800 -0.244 0.000 2.596 42 G HA2 -0.374 3.589 3.960 0.005 0.000 0.304 42 G HA3 -0.374 3.589 3.960 0.005 0.000 0.304 42 G C 0.363 175.268 174.900 0.008 0.000 1.189 42 G CA 0.574 45.629 45.100 -0.075 0.000 0.986 42 G HN 0.326 nan 8.290 nan 0.000 0.548 43 L N -0.635 120.599 121.223 0.019 0.000 3.122 43 L HA 0.234 4.577 4.340 0.005 0.000 0.296 43 L C 2.136 179.024 176.870 0.031 0.000 1.040 43 L CA 0.918 55.800 54.840 0.070 0.000 1.164 43 L CB 0.936 43.036 42.059 0.069 0.000 1.990 43 L HN 0.762 nan 8.230 nan 0.000 0.579 44 V N -3.018 116.900 119.914 0.007 0.000 3.633 44 V HA 0.091 4.214 4.120 0.005 0.000 0.283 44 V C 1.960 178.052 176.094 -0.003 0.000 1.305 44 V CA 0.588 62.886 62.300 -0.003 0.000 1.153 44 V CB -0.446 31.371 31.823 -0.010 0.000 0.950 44 V HN 0.415 nan 8.190 nan 0.000 0.432 45 S N 2.927 118.621 115.700 -0.009 0.000 2.490 45 S HA -0.529 3.944 4.470 0.005 0.000 0.291 45 S C 1.872 176.491 174.600 0.032 0.000 1.182 45 S CA 2.717 60.916 58.200 -0.001 0.000 1.215 45 S CB -1.228 61.959 63.200 -0.021 0.000 1.176 45 S HN 0.850 nan 8.310 nan 0.000 0.440 46 Q N 1.213 121.031 119.800 0.030 0.000 2.062 46 Q HA -0.204 4.139 4.340 0.005 0.000 0.209 46 Q C 2.339 178.373 176.000 0.056 0.000 0.996 46 Q CA 1.687 57.517 55.803 0.046 0.000 0.859 46 Q CB -0.553 28.200 28.738 0.025 0.000 0.920 46 Q HN 0.515 nan 8.270 nan 0.000 0.415 47 Q N 0.550 120.369 119.800 0.033 0.000 2.050 47 Q HA -0.063 4.280 4.340 0.005 0.000 0.202 47 Q C 2.327 178.367 176.000 0.067 0.000 0.980 47 Q CA 1.362 57.184 55.803 0.032 0.000 0.840 47 Q CB -0.237 28.487 28.738 -0.024 0.000 0.898 47 Q HN 0.480 nan 8.270 nan 0.000 0.424 48 L N 0.735 121.986 121.223 0.047 0.000 2.005 48 L HA -0.188 4.155 4.340 0.005 0.000 0.207 48 L C 2.102 179.048 176.870 0.127 0.000 1.072 48 L CA 1.152 56.038 54.840 0.078 0.000 0.744 48 L CB -0.578 41.501 42.059 0.033 0.000 0.895 48 L HN 0.124 nan 8.230 nan 0.000 0.433 49 D N -0.469 119.988 120.400 0.094 0.000 2.123 49 D HA -0.206 4.437 4.640 0.005 0.000 0.196 49 D C 2.331 178.695 176.300 0.106 0.000 0.992 49 D CA 1.788 55.842 54.000 0.089 0.000 0.833 49 D CB -0.092 40.760 40.800 0.086 0.000 0.954 49 D HN 0.201 nan 8.370 nan 0.000 0.455 50 S N -0.242 115.536 115.700 0.130 0.000 2.368 50 S HA -0.189 4.284 4.470 0.005 0.000 0.225 50 S C 1.846 176.581 174.600 0.224 0.000 1.030 50 S CA 0.713 59.004 58.200 0.153 0.000 0.999 50 S CB -0.392 62.898 63.200 0.150 0.000 0.844 50 S HN 0.208 nan 8.310 nan 0.000 0.459 51 F N 2.734 122.758 119.950 0.124 0.000 2.206 51 F HA 0.092 4.622 4.527 0.005 0.000 0.298 51 F C 1.982 177.910 175.800 0.213 0.000 1.090 51 F CA 1.382 59.500 58.000 0.198 0.000 1.323 51 F CB -0.566 38.535 39.000 0.167 0.000 1.028 51 F HN 0.231 nan 8.300 nan 0.000 0.492 52 N N 0.411 119.175 118.700 0.108 0.000 2.244 52 N HA -0.198 4.545 4.740 0.005 0.000 0.183 52 N C 1.763 177.253 175.510 -0.035 0.000 1.016 52 N CA 1.273 54.328 53.050 0.007 0.000 0.866 52 N CB -0.516 38.015 38.487 0.073 0.000 0.980 52 N HN 0.422 nan 8.380 nan 0.000 0.430 53 Q N -0.266 119.528 119.800 -0.009 0.000 2.311 53 Q HA 0.011 4.354 4.340 0.005 0.000 0.203 53 Q C 1.696 177.695 176.000 -0.001 0.000 0.954 53 Q CA 0.781 56.556 55.803 -0.047 0.000 0.885 53 Q CB -0.325 28.367 28.738 -0.078 0.000 0.963 53 Q HN 0.354 nan 8.270 nan 0.000 0.471 54 F N -0.719 119.139 119.950 -0.154 0.000 2.128 54 F HA -0.053 4.477 4.527 0.005 0.000 0.295 54 F C 1.600 177.244 175.800 -0.261 0.000 1.100 54 F CA 1.173 59.060 58.000 -0.188 0.000 1.260 54 F CB -0.331 38.546 39.000 -0.204 0.000 1.009 54 F HN -0.037 nan 8.300 nan 0.000 0.476 55 V N 0.621 120.192 119.914 -0.572 0.000 2.427 55 V HA -0.277 3.846 4.120 0.005 0.000 0.248 55 V C 1.785 177.655 176.094 -0.373 0.000 1.051 55 V CA 2.369 64.315 62.300 -0.589 0.000 1.048 55 V CB -0.739 30.845 31.823 -0.399 0.000 0.666 55 V HN 0.276 nan 8.190 nan 0.000 0.456 56 D N -1.841 118.462 120.400 -0.161 0.000 2.120 56 D HA -0.078 4.565 4.640 0.005 0.000 0.202 56 D C 1.785 178.087 176.300 0.004 0.000 0.972 56 D CA 1.407 55.411 54.000 0.007 0.000 0.837 56 D CB -0.031 40.915 40.800 0.243 0.000 0.989 56 D HN 0.500 nan 8.370 nan 0.000 0.469 57 Y N -0.261 119.914 120.300 -0.208 0.000 2.687 57 Y HA 0.150 4.703 4.550 0.005 0.000 0.246 57 Y C 2.536 178.311 175.900 -0.208 0.000 1.061 57 Y CA 0.469 58.469 58.100 -0.167 0.000 1.400 57 Y CB -0.926 37.476 38.460 -0.097 0.000 1.325 57 Y HN -0.185 nan 8.280 nan 0.000 0.498 58 T N 2.263 116.819 114.554 0.004 0.000 2.592 58 T HA -0.288 4.065 4.350 0.005 0.000 0.267 58 T C 1.974 176.542 174.700 -0.219 0.000 1.060 58 T CA 2.049 64.126 62.100 -0.039 0.000 1.167 58 T CB -0.963 67.984 68.868 0.131 0.000 0.863 58 T HN 0.216 nan 8.240 nan 0.000 0.431 59 L N 1.309 122.132 121.223 -0.666 0.000 2.089 59 L HA -0.211 4.132 4.340 0.005 0.000 0.213 59 L C 2.532 179.160 176.870 -0.402 0.000 1.079 59 L CA 2.085 56.451 54.840 -0.790 0.000 0.758 59 L CB -0.836 40.484 42.059 -1.232 0.000 0.891 59 L HN 0.224 nan 8.230 nan 0.000 0.433 60 Q N 0.155 119.759 119.800 -0.326 0.000 2.046 60 Q HA -0.191 4.152 4.340 0.005 0.000 0.200 60 Q C 1.555 177.456 176.000 -0.165 0.000 0.975 60 Q CA 2.313 57.972 55.803 -0.241 0.000 0.836 60 Q CB -0.434 28.159 28.738 -0.241 0.000 0.896 60 Q HN 0.797 nan 8.270 nan 0.000 0.428 61 D N -0.651 119.682 120.400 -0.112 0.000 2.339 61 D HA -0.016 4.627 4.640 0.005 0.000 0.217 61 D C 1.346 177.631 176.300 -0.026 0.000 1.050 61 D CA -0.007 53.960 54.000 -0.054 0.000 0.856 61 D CB 0.369 41.158 40.800 -0.019 0.000 0.922 61 D HN 0.285 nan 8.370 nan 0.000 0.518 62 I N 1.013 121.561 120.570 -0.037 0.000 2.193 62 I HA -0.153 4.020 4.170 0.005 0.000 0.240 62 I C 2.525 178.573 176.117 -0.115 0.000 1.084 62 I CA 0.501 61.805 61.300 0.008 0.000 1.365 62 I CB -0.542 37.533 38.000 0.127 0.000 1.064 62 I HN -0.045 nan 8.210 nan 0.000 0.410 63 I N 1.352 121.723 120.570 -0.331 0.000 2.335 63 I HA -0.259 3.914 4.170 0.005 0.000 0.251 63 I C 1.533 177.520 176.117 -0.217 0.000 1.129 63 I CA 1.192 62.053 61.300 -0.732 0.000 1.402 63 I CB -0.047 37.593 38.000 -0.601 0.000 1.069 63 I HN 0.450 nan 8.210 nan 0.000 0.424 64 C N -0.139 119.128 119.300 -0.056 0.000 2.503 64 C HA 0.474 4.938 4.460 0.005 0.000 0.356 64 C C 0.982 176.015 174.990 0.072 0.000 1.168 64 C CA -0.657 58.398 59.018 0.062 0.000 1.655 64 C CB -0.684 27.082 27.740 0.043 0.000 1.660 64 C HN 0.545 nan 8.230 nan 0.000 0.484 65 E N 2.149 122.415 120.200 0.109 0.000 3.100 65 E HA -0.048 4.305 4.350 0.005 0.000 0.191 65 E C 1.051 177.711 176.600 0.099 0.000 1.097 65 E CA 1.082 57.536 56.400 0.091 0.000 1.339 65 E CB -0.116 29.637 29.700 0.088 0.000 1.330 65 E HN 0.650 nan 8.360 nan 0.000 0.511 66 D N 0.774 121.243 120.400 0.115 0.000 2.389 66 D HA 0.018 4.661 4.640 0.005 0.000 0.206 66 D C 1.536 177.907 176.300 0.117 0.000 1.055 66 D CA 1.074 55.131 54.000 0.096 0.000 0.856 66 D CB 0.142 40.986 40.800 0.075 0.000 0.957 66 D HN 0.155 nan 8.370 nan 0.000 0.509 67 S N 0.524 116.334 115.700 0.183 0.000 2.287 67 S HA -0.367 4.106 4.470 0.005 0.000 0.522 67 S C 1.029 175.833 174.600 0.339 0.000 0.946 67 S CA 3.188 61.599 58.200 0.350 0.000 3.250 67 S CB -2.294 61.120 63.200 0.356 0.000 2.279 67 S HN 0.763 nan 8.310 nan 0.000 0.548 68 T N 2.954 117.623 114.554 0.193 0.000 2.934 68 T HA 0.348 4.701 4.350 0.005 0.000 0.321 68 T C -0.086 174.608 174.700 -0.010 0.000 1.080 68 T CA 0.785 62.925 62.100 0.066 0.000 1.132 68 T CB -0.445 68.451 68.868 0.047 0.000 1.039 68 T HN 0.477 nan 8.240 nan 0.000 0.543 69 L N 3.202 124.368 121.223 -0.095 0.000 2.322 69 L HA 0.582 4.925 4.340 0.005 0.000 0.252 69 L C -0.041 176.775 176.870 -0.090 0.000 1.055 69 L CA -1.627 53.091 54.840 -0.203 0.000 0.849 69 L CB 1.626 43.384 42.059 -0.501 0.000 1.446 69 L HN 0.488 nan 8.230 nan 0.000 0.416 91 S N 2.907 118.424 115.700 -0.305 0.000 2.537 91 S HA 0.886 5.359 4.470 0.005 0.000 0.301 91 S C -0.626 173.788 174.600 -0.312 0.000 1.092 91 S CA -0.652 57.416 58.200 -0.221 0.000 1.048 91 S CB 1.636 64.799 63.200 -0.062 0.000 1.053 91 S HN 0.211 nan 8.310 nan 0.000 0.501 92 F N 0.848 120.819 119.950 0.036 0.000 2.397 92 F HA 0.724 5.254 4.527 0.005 0.000 0.331 92 F C 1.205 177.014 175.800 0.014 0.000 1.090 92 F CA -0.066 57.962 58.000 0.047 0.000 1.065 92 F CB 1.596 40.658 39.000 0.104 0.000 1.184 92 F HN 0.947 nan 8.300 nan 0.000 0.499 93 G N 1.058 109.959 108.800 0.168 0.000 3.407 93 G HA2 0.255 4.218 3.960 0.005 0.000 0.187 93 G HA3 0.255 4.218 3.960 0.005 0.000 0.187 93 G C -0.577 174.322 174.900 -0.002 0.000 1.262 93 G CA -0.545 44.593 45.100 0.063 0.000 0.808 93 G HN 0.219 nan 8.290 nan 0.000 0.687 94 K N 0.726 121.086 120.400 -0.067 0.000 2.412 94 K HA 0.261 4.584 4.320 0.005 0.000 0.281 94 K C -0.613 175.809 176.600 -0.297 0.000 1.027 94 K CA -0.135 55.998 56.287 -0.257 0.000 0.989 94 K CB 1.347 33.594 32.500 -0.421 0.000 0.935 94 K HN 0.350 nan 8.250 nan 0.000 0.475 95 I N 3.724 124.090 120.570 -0.340 0.000 2.336 95 I HA 0.196 4.369 4.170 0.005 0.000 0.292 95 I C -1.056 174.863 176.117 -0.330 0.000 0.991 95 I CA -0.730 60.435 61.300 -0.225 0.000 1.227 95 I CB 0.434 38.329 38.000 -0.175 0.000 1.366 95 I HN 0.414 nan 8.210 nan 0.000 0.466 96 Y N 6.083 126.421 120.300 0.063 0.000 2.341 96 Y HA 0.530 5.083 4.550 0.005 0.000 0.337 96 Y C -0.166 175.798 175.900 0.106 0.000 1.014 96 Y CA -0.849 57.287 58.100 0.059 0.000 1.111 96 Y CB 1.852 40.348 38.460 0.060 0.000 1.194 96 Y HN 0.331 nan 8.280 nan 0.000 0.462 97 V N -0.046 119.986 119.914 0.197 0.000 2.459 97 V HA 0.675 4.798 4.120 0.005 0.000 0.295 97 V C -0.186 175.986 176.094 0.130 0.000 1.029 97 V CA -0.794 61.596 62.300 0.150 0.000 0.874 97 V CB 1.056 32.909 31.823 0.049 0.000 0.985 97 V HN 0.781 nan 8.190 nan 0.000 0.438 98 T N 2.711 117.354 114.554 0.148 0.000 2.902 98 T HA 0.441 4.794 4.350 0.005 0.000 0.280 98 T C -0.098 174.605 174.700 0.004 0.000 0.992 98 T CA -0.863 61.280 62.100 0.071 0.000 1.015 98 T CB 0.948 69.876 68.868 0.099 0.000 1.044 98 T HN 0.737 nan 8.240 nan 0.000 0.520 99 K N 2.209 122.564 120.400 -0.074 0.000 2.316 99 K HA 0.242 4.565 4.320 0.005 0.000 0.289 99 K C -2.463 174.059 176.600 -0.130 0.000 1.070 99 K CA -1.662 54.479 56.287 -0.244 0.000 0.928 99 K CB 0.152 32.376 32.500 -0.460 0.000 1.039 99 K HN 0.325 nan 8.250 nan 0.000 0.480 100 P HA -0.189 nan 4.420 nan 0.000 0.264 100 P C -0.609 176.670 177.300 -0.036 0.000 1.139 100 P CA 1.254 64.276 63.100 -0.130 0.000 0.754 100 P CB 0.396 31.803 31.700 -0.488 0.000 0.737 101 M N 1.421 120.999 119.600 -0.036 0.000 2.664 101 M HA 0.519 5.002 4.480 0.005 0.000 0.279 101 M C -0.840 175.452 176.300 -0.013 0.000 1.275 101 M CA -1.108 54.186 55.300 -0.010 0.000 0.829 101 M CB 2.670 35.281 32.600 0.018 0.000 1.727 101 M HN 0.015 nan 8.290 nan 0.000 0.459 102 V N -0.411 119.505 119.914 0.002 0.000 2.524 102 V HA 0.493 4.616 4.120 0.005 0.000 0.297 102 V C -0.956 175.142 176.094 0.006 0.000 1.035 102 V CA -0.707 61.588 62.300 -0.008 0.000 0.867 102 V CB 1.391 33.183 31.823 -0.051 0.000 1.004 102 V HN 0.873 nan 8.190 nan 0.000 0.426 103 N N 4.229 122.928 118.700 -0.002 0.000 3.124 103 N HA 0.127 4.870 4.740 0.005 0.000 0.284 103 N C 0.398 175.907 175.510 -0.001 0.000 1.209 103 N CA -0.197 52.851 53.050 -0.004 0.000 1.149 103 N CB 0.309 38.783 38.487 -0.023 0.000 1.434 103 N HN 0.945 nan 8.380 nan 0.000 0.529 104 E N -0.144 120.054 120.200 -0.004 0.000 2.465 104 E HA -0.011 4.342 4.350 0.005 0.000 0.260 104 E C -0.054 176.546 176.600 -0.001 0.000 0.980 104 E CA -0.159 56.233 56.400 -0.014 0.000 0.927 104 E CB 0.158 29.840 29.700 -0.029 0.000 0.934 104 E HN 0.410 nan 8.360 nan 0.000 0.459 105 S N 3.093 118.792 115.700 -0.003 0.000 2.575 105 S HA -0.073 4.401 4.470 0.005 0.000 0.295 105 S C 0.297 174.903 174.600 0.010 0.000 1.267 105 S CA -0.040 58.163 58.200 0.006 0.000 1.074 105 S CB 0.357 63.558 63.200 0.002 0.000 0.829 105 S HN 0.716 nan 8.310 nan 0.000 0.497 106 D N 1.440 121.849 120.400 0.014 0.000 3.082 106 D HA -0.044 4.599 4.640 0.005 0.000 0.234 106 D C 0.157 176.467 176.300 0.017 0.000 1.159 106 D CA 1.944 55.954 54.000 0.016 0.000 0.875 106 D CB -1.250 39.560 40.800 0.017 0.000 0.946 106 D HN 1.227 nan 8.370 nan 0.000 0.411 107 G N -1.593 107.217 108.800 0.017 0.000 2.430 107 G HA2 0.550 4.513 3.960 0.005 0.000 0.300 107 G HA3 0.550 4.513 3.960 0.005 0.000 0.300 107 G C -0.132 174.779 174.900 0.019 0.000 1.330 107 G CA -0.182 44.930 45.100 0.021 0.000 0.813 107 G HN 0.767 nan 8.290 nan 0.000 0.487 108 V N -2.019 117.909 119.914 0.025 0.000 3.336 108 V HA 0.753 4.876 4.120 0.005 0.000 0.304 108 V C 0.838 176.947 176.094 0.024 0.000 1.073 108 V CA -0.227 62.081 62.300 0.014 0.000 1.074 108 V CB 1.254 33.077 31.823 0.001 0.000 1.161 108 V HN 0.875 nan 8.190 nan 0.000 0.460 109 T N 0.468 115.025 114.554 0.005 0.000 2.780 109 T HA 0.327 4.680 4.350 0.005 0.000 0.294 109 T C -0.620 174.092 174.700 0.021 0.000 0.949 109 T CA 0.027 62.133 62.100 0.010 0.000 1.074 109 T CB -0.608 68.248 68.868 -0.020 0.000 0.910 109 T HN 0.983 nan 8.240 nan 0.000 0.501 110 H N 2.962 121.997 119.070 -0.059 0.000 2.466 110 H HA 0.630 5.189 4.556 0.005 0.000 0.338 110 H C -0.126 175.129 175.328 -0.121 0.000 1.091 110 H CA -0.872 55.129 56.048 -0.079 0.000 1.207 110 H CB 1.060 30.780 29.762 -0.070 0.000 1.466 110 H HN 0.748 nan 8.280 nan 0.000 0.493 111 A N 5.593 128.323 122.820 -0.150 0.000 2.410 111 A HA 0.245 4.568 4.320 0.005 0.000 0.292 111 A C -0.665 176.711 177.584 -0.347 0.000 1.232 111 A CA -0.375 51.538 52.037 -0.207 0.000 0.893 111 A CB -0.594 18.228 19.000 -0.297 0.000 1.131 111 A HN 0.615 nan 8.150 nan 0.000 0.530 112 L N 4.077 125.132 121.223 -0.280 0.000 2.292 112 L HA 0.600 4.943 4.340 0.005 0.000 0.284 112 L C -0.817 175.812 176.870 -0.401 0.000 1.065 112 L CA -0.071 54.612 54.840 -0.262 0.000 0.806 112 L CB 0.302 42.273 42.059 -0.147 0.000 1.175 112 L HN 0.624 nan 8.230 nan 0.000 0.431 113 Y N 5.698 126.003 120.300 0.008 0.000 2.534 113 Y HA 0.451 5.004 4.550 0.005 0.000 0.329 113 Y C -1.406 174.661 175.900 0.279 0.000 1.154 113 Y CA -1.698 56.454 58.100 0.088 0.000 1.192 113 Y CB 0.786 39.222 38.460 -0.039 0.000 1.275 113 Y HN 0.542 nan 8.280 nan 0.000 0.491 114 P HA -0.268 nan 4.420 nan 0.000 0.212 114 P C 1.210 178.635 177.300 0.209 0.000 1.178 114 P CA 1.722 64.968 63.100 0.243 0.000 0.915 114 P CB 0.337 32.075 31.700 0.064 0.000 0.788 115 Q N 0.450 120.350 119.800 0.167 0.000 2.096 115 Q HA -0.233 4.110 4.340 0.005 0.000 0.208 115 Q C 2.327 178.407 176.000 0.133 0.000 0.993 115 Q CA 2.252 58.130 55.803 0.125 0.000 0.862 115 Q CB -1.151 27.639 28.738 0.086 0.000 0.915 115 Q HN 0.396 nan 8.270 nan 0.000 0.416 116 E N -1.264 119.026 120.200 0.150 0.000 2.085 116 E HA -0.216 4.137 4.350 0.005 0.000 0.194 116 E C 1.731 178.387 176.600 0.092 0.000 0.994 116 E CA 1.131 57.593 56.400 0.102 0.000 0.801 116 E CB -0.246 29.497 29.700 0.071 0.000 0.743 116 E HN 0.419 nan 8.360 nan 0.000 0.453 117 A N 1.212 124.120 122.820 0.147 0.000 1.877 117 A HA -0.191 4.132 4.320 0.005 0.000 0.216 117 A C 2.174 179.834 177.584 0.126 0.000 1.186 117 A CA 1.592 53.718 52.037 0.148 0.000 0.620 117 A CB -0.532 18.634 19.000 0.276 0.000 0.822 117 A HN 0.198 nan 8.150 nan 0.000 0.443 118 R N -0.922 119.664 120.500 0.142 0.000 2.117 118 R HA -0.122 4.221 4.340 0.005 0.000 0.243 118 R C 1.993 178.369 176.300 0.126 0.000 1.143 118 R CA 1.633 57.813 56.100 0.133 0.000 0.968 118 R CB -0.450 29.931 30.300 0.135 0.000 0.863 118 R HN 0.523 nan 8.270 nan 0.000 0.444 119 L N 0.308 121.602 121.223 0.118 0.000 2.102 119 L HA -0.060 4.283 4.340 0.005 0.000 0.202 119 L C 1.418 178.392 176.870 0.175 0.000 1.076 119 L CA 0.998 55.923 54.840 0.142 0.000 0.761 119 L CB -0.027 42.103 42.059 0.119 0.000 0.921 119 L HN 0.113 nan 8.230 nan 0.000 0.444 120 R N 0.188 120.714 120.500 0.043 0.000 3.782 120 R HA 0.201 4.544 4.340 0.005 0.000 0.291 120 R C -0.250 175.859 176.300 -0.319 0.000 1.539 120 R CA -0.126 55.864 56.100 -0.183 0.000 1.345 120 R CB -1.095 29.091 30.300 -0.191 0.000 1.408 120 R HN 0.292 nan 8.270 nan 0.000 0.654 121 N N 0.808 119.436 118.700 -0.119 0.000 2.677 121 N HA -0.227 4.516 4.740 0.005 0.000 0.249 121 N C -0.203 175.275 175.510 -0.052 0.000 1.073 121 N CA 0.177 53.198 53.050 -0.049 0.000 0.737 121 N CB -0.547 37.907 38.487 -0.056 0.000 0.999 121 N HN 0.455 nan 8.380 nan 0.000 0.543 122 L N -0.219 120.985 121.223 -0.032 0.000 2.505 122 L HA 0.220 4.563 4.340 0.005 0.000 0.226 122 L C 0.895 177.806 176.870 0.068 0.000 1.211 122 L CA 0.184 55.021 54.840 -0.005 0.000 0.828 122 L CB 0.592 42.645 42.059 -0.011 0.000 1.331 122 L HN -0.007 nan 8.230 nan 0.000 0.513 123 T N -0.324 114.280 114.554 0.084 0.000 2.912 123 T HA 0.158 4.511 4.350 0.005 0.000 0.326 123 T C -0.609 174.195 174.700 0.173 0.000 1.080 123 T CA -0.241 61.940 62.100 0.135 0.000 1.000 123 T CB 0.086 69.018 68.868 0.108 0.000 1.008 123 T HN 0.265 nan 8.240 nan 0.000 0.473 124 Y N 3.807 124.172 120.300 0.109 0.000 2.529 124 Y HA 0.314 4.867 4.550 0.005 0.000 0.342 124 Y C 0.519 176.506 175.900 0.146 0.000 1.249 124 Y CA 0.226 58.400 58.100 0.122 0.000 1.810 124 Y CB -0.263 38.269 38.460 0.121 0.000 1.653 124 Y HN 0.518 nan 8.280 nan 0.000 0.451 125 S N 3.504 119.239 115.700 0.060 0.000 2.557 125 S HA 0.578 5.051 4.470 0.005 0.000 0.291 125 S C -0.509 174.117 174.600 0.042 0.000 1.116 125 S CA -0.572 57.695 58.200 0.112 0.000 0.992 125 S CB 0.717 63.999 63.200 0.136 0.000 1.028 125 S HN 0.677 nan 8.310 nan 0.000 0.484 126 S N 3.368 119.122 115.700 0.090 0.000 2.669 126 S HA 0.745 5.219 4.470 0.005 0.000 0.270 126 S C 0.635 175.337 174.600 0.171 0.000 1.225 126 S CA -0.438 57.816 58.200 0.090 0.000 0.991 126 S CB 0.656 63.909 63.200 0.088 0.000 0.987 126 S HN 1.053 nan 8.310 nan 0.000 0.552 127 G N -0.016 108.916 108.800 0.221 0.000 2.380 127 G HA2 0.486 4.449 3.960 0.005 0.000 0.262 127 G HA3 0.486 4.449 3.960 0.005 0.000 0.262 127 G C -1.130 174.015 174.900 0.409 0.000 1.243 127 G CA -0.439 44.889 45.100 0.379 0.000 0.865 127 G HN 0.539 nan 8.290 nan 0.000 0.513 128 L N 2.710 124.114 121.223 0.301 0.000 2.294 128 L HA 0.647 4.990 4.340 0.005 0.000 0.283 128 L C -1.261 175.630 176.870 0.034 0.000 1.015 128 L CA -1.062 53.881 54.840 0.171 0.000 0.831 128 L CB 0.646 42.740 42.059 0.059 0.000 1.217 128 L HN 0.373 nan 8.230 nan 0.000 0.420 129 F N 3.873 123.959 119.950 0.227 0.000 2.529 129 F HA 0.731 5.261 4.527 0.005 0.000 0.320 129 F C -0.061 175.870 175.800 0.220 0.000 1.118 129 F CA -0.758 57.394 58.000 0.253 0.000 0.915 129 F CB 2.124 41.279 39.000 0.259 0.000 1.161 129 F HN 0.063 nan 8.300 nan 0.000 0.445 130 V N 1.016 121.141 119.914 0.353 0.000 3.001 130 V HA 0.439 4.562 4.120 0.005 0.000 0.314 130 V C -1.349 174.926 176.094 0.302 0.000 1.099 130 V CA -1.110 61.356 62.300 0.277 0.000 0.989 130 V CB 2.492 34.458 31.823 0.240 0.000 1.040 130 V HN 0.650 nan 8.190 nan 0.000 0.434 131 D N 1.435 121.983 120.400 0.247 0.000 2.329 131 D HA 0.428 5.071 4.640 0.005 0.000 0.232 131 D C -0.204 176.160 176.300 0.106 0.000 1.088 131 D CA -0.467 53.645 54.000 0.188 0.000 0.835 131 D CB 1.425 42.333 40.800 0.180 0.000 1.078 131 D HN 0.442 nan 8.370 nan 0.000 0.495 132 V N 0.117 120.055 119.914 0.040 0.000 2.455 132 V HA 0.329 4.452 4.120 0.005 0.000 0.273 132 V C 0.143 176.172 176.094 -0.107 0.000 1.045 132 V CA -0.728 61.489 62.300 -0.138 0.000 0.976 132 V CB 0.136 31.840 31.823 -0.197 0.000 0.993 132 V HN 0.308 nan 8.190 nan 0.000 0.475 133 K N 5.077 125.392 120.400 -0.142 0.000 2.156 133 K HA 0.409 4.732 4.320 0.005 0.000 0.271 133 K C 0.332 176.870 176.600 -0.104 0.000 0.995 133 K CA -0.820 55.414 56.287 -0.087 0.000 0.890 133 K CB 1.406 33.870 32.500 -0.060 0.000 1.073 133 K HN 0.846 nan 8.250 nan 0.000 0.454 165 V N 2.352 122.453 119.914 0.311 0.000 2.628 165 V HA 0.523 4.646 4.120 0.005 0.000 0.306 165 V C -1.309 174.964 176.094 0.298 0.000 1.045 165 V CA -0.768 61.699 62.300 0.279 0.000 0.905 165 V CB 1.404 33.327 31.823 0.166 0.000 0.997 165 V HN 0.223 nan 8.190 nan 0.000 0.436 166 F N 7.430 127.370 119.950 -0.015 0.000 2.405 166 F HA 0.578 5.108 4.527 0.005 0.000 0.355 166 F C 0.217 175.865 175.800 -0.252 0.000 1.121 166 F CA -1.094 56.632 58.000 -0.456 0.000 1.112 166 F CB 0.956 39.623 39.000 -0.554 0.000 1.126 166 F HN 0.340 nan 8.300 nan 0.000 0.481 167 I N 6.701 126.768 120.570 -0.838 0.000 3.137 167 I HA 0.367 4.540 4.170 0.005 0.000 0.343 167 I C 0.795 176.487 176.117 -0.709 0.000 1.394 167 I CA 0.074 61.007 61.300 -0.612 0.000 0.952 167 I CB -0.798 37.098 38.000 -0.174 0.000 1.921 167 I HN 0.858 nan 8.210 nan 0.000 0.530 168 G N 2.657 110.625 108.800 -1.386 0.000 2.693 168 G HA2 -0.246 3.717 3.960 0.005 0.000 0.226 168 G HA3 -0.246 3.717 3.960 0.005 0.000 0.226 168 G C -0.372 174.455 174.900 -0.122 0.000 1.354 168 G CA -0.633 44.098 45.100 -0.615 0.000 0.873 168 G HN 0.475 nan 8.290 nan 0.000 0.562 169 R N -0.726 119.808 120.500 0.057 0.000 2.358 169 R HA 0.577 4.920 4.340 0.005 0.000 0.309 169 R C -0.151 176.234 176.300 0.142 0.000 1.026 169 R CA -0.615 55.575 56.100 0.151 0.000 0.909 169 R CB 1.173 31.570 30.300 0.162 0.000 1.153 169 R HN 0.758 nan 8.270 nan 0.000 0.515 170 L N 5.500 126.814 121.223 0.152 0.000 2.319 170 L HA 0.528 4.871 4.340 0.005 0.000 0.280 170 L C -2.325 174.669 176.870 0.206 0.000 1.099 170 L CA -1.624 53.316 54.840 0.166 0.000 0.828 170 L CB 0.689 42.837 42.059 0.148 0.000 1.150 170 L HN 0.451 nan 8.230 nan 0.000 0.442 171 P HA 0.170 nan 4.420 nan 0.000 0.280 171 P C -0.802 176.761 177.300 0.438 0.000 1.244 171 P CA -0.330 62.930 63.100 0.268 0.000 0.784 171 P CB 0.991 32.794 31.700 0.171 0.000 0.913 172 I N 3.603 124.472 120.570 0.498 0.000 2.532 172 I HA 0.283 4.456 4.170 0.005 0.000 0.292 172 I C 1.147 177.385 176.117 0.202 0.000 1.014 172 I CA -0.937 60.649 61.300 0.477 0.000 1.340 172 I CB 0.393 38.686 38.000 0.487 0.000 1.422 172 I HN 0.397 nan 8.210 nan 0.000 0.528 173 M N 5.072 124.407 119.600 -0.441 0.000 2.146 173 M HA 0.155 4.638 4.480 0.005 0.000 0.352 173 M C -0.528 175.430 176.300 -0.570 0.000 1.343 173 M CA -0.835 53.811 55.300 -1.089 0.000 1.115 173 M CB 0.543 32.232 32.600 -1.520 0.000 1.657 173 M HN 0.277 nan 8.290 nan 0.000 0.471 174 L N 4.997 125.793 121.223 -0.712 0.000 2.516 174 L HA -0.030 4.313 4.340 0.005 0.000 0.288 174 L C 1.240 177.863 176.870 -0.411 0.000 1.246 174 L CA 1.300 55.756 54.840 -0.641 0.000 0.844 174 L CB -0.007 41.461 42.059 -0.985 0.000 1.106 174 L HN 0.936 nan 8.230 nan 0.000 0.509 175 R N -0.061 120.291 120.500 -0.248 0.000 3.943 175 R HA -0.261 4.082 4.340 0.005 0.000 0.459 175 R C 1.547 177.814 176.300 -0.056 0.000 0.939 175 R CA 1.595 57.619 56.100 -0.126 0.000 1.515 175 R CB -1.810 28.409 30.300 -0.135 0.000 2.164 175 R HN 0.979 nan 8.270 nan 0.000 0.516 176 S N -0.979 114.693 115.700 -0.047 0.000 2.446 176 S HA -0.113 4.360 4.470 0.005 0.000 0.200 176 S C 1.496 176.149 174.600 0.089 0.000 1.248 176 S CA 1.218 59.455 58.200 0.061 0.000 1.813 176 S CB -0.211 63.106 63.200 0.195 0.000 0.870 176 S HN 0.508 nan 8.310 nan 0.000 0.371 177 K N -1.185 119.290 120.400 0.126 0.000 2.703 177 K HA 0.290 4.613 4.320 0.005 0.000 0.196 177 K C 1.901 178.535 176.600 0.057 0.000 1.457 177 K CA 0.134 56.469 56.287 0.081 0.000 1.115 177 K CB 0.029 32.575 32.500 0.077 0.000 1.661 177 K HN 0.198 nan 8.250 nan 0.000 0.552 178 N N 1.041 119.796 118.700 0.092 0.000 2.244 178 N HA -0.089 4.654 4.740 0.005 0.000 0.183 178 N C 0.551 176.040 175.510 -0.034 0.000 1.016 178 N CA 0.513 53.585 53.050 0.037 0.000 0.866 178 N CB -0.258 38.291 38.487 0.102 0.000 0.980 178 N HN 0.219 nan 8.380 nan 0.000 0.430 179 C N 0.777 120.124 119.300 0.078 0.000 2.644 179 C HA 0.058 4.521 4.460 0.005 0.000 0.417 179 C C 1.672 176.717 174.990 0.092 0.000 1.304 179 C CA -0.714 58.394 59.018 0.151 0.000 2.035 179 C CB -0.969 26.895 27.740 0.207 0.000 2.673 179 C HN 0.478 nan 8.230 nan 0.000 0.602 180 Y N 3.066 123.516 120.300 0.249 0.000 2.403 180 Y HA -0.039 4.514 4.550 0.005 0.000 0.291 180 Y C 1.949 177.924 175.900 0.125 0.000 1.143 180 Y CA 1.068 59.294 58.100 0.211 0.000 1.257 180 Y CB -0.514 38.163 38.460 0.361 0.000 0.984 180 Y HN 0.564 nan 8.280 nan 0.000 0.550 181 L N -0.975 120.394 121.223 0.244 0.000 2.376 181 L HA -0.138 4.205 4.340 0.005 0.000 0.219 181 L C 2.210 179.113 176.870 0.055 0.000 1.133 181 L CA 1.119 56.020 54.840 0.102 0.000 0.816 181 L CB -0.908 41.173 42.059 0.035 0.000 0.933 181 L HN 0.033 nan 8.230 nan 0.000 0.449 182 S N -0.166 115.572 115.700 0.063 0.000 2.402 182 S HA -0.201 4.272 4.470 0.005 0.000 0.233 182 S C 1.474 176.092 174.600 0.030 0.000 1.030 182 S CA 1.558 59.779 58.200 0.036 0.000 1.003 182 S CB -0.168 63.055 63.200 0.038 0.000 0.813 182 S HN 0.510 nan 8.310 nan 0.000 0.477 183 E N 0.147 120.372 120.200 0.042 0.000 2.583 183 E HA 0.422 4.775 4.350 0.005 0.000 0.213 183 E C 0.070 176.685 176.600 0.025 0.000 0.989 183 E CA -0.039 56.381 56.400 0.033 0.000 0.991 183 E CB 0.582 30.307 29.700 0.041 0.000 1.040 183 E HN 0.373 nan 8.360 nan 0.000 0.481 184 A N 1.626 124.459 122.820 0.021 0.000 2.454 184 A HA 0.337 4.660 4.320 0.005 0.000 0.260 184 A C 0.724 178.294 177.584 -0.023 0.000 1.106 184 A CA -0.274 51.764 52.037 0.002 0.000 0.780 184 A CB -0.238 18.758 19.000 -0.006 0.000 1.044 184 A HN 0.186 nan 8.150 nan 0.000 0.498 185 T N 0.281 114.822 114.554 -0.021 0.000 2.898 185 T HA 0.174 4.527 4.350 0.005 0.000 0.301 185 T C 0.949 175.619 174.700 -0.049 0.000 1.049 185 T CA 0.303 62.387 62.100 -0.027 0.000 1.095 185 T CB 0.938 69.799 68.868 -0.013 0.000 0.976 185 T HN 0.750 nan 8.240 nan 0.000 0.539 186 E N 1.244 121.412 120.200 -0.054 0.000 2.013 186 E HA -0.257 4.096 4.350 0.005 0.000 0.202 186 E C 2.362 178.938 176.600 -0.041 0.000 1.018 186 E CA 2.157 58.505 56.400 -0.087 0.000 0.834 186 E CB -0.448 29.219 29.700 -0.055 0.000 0.770 186 E HN 0.909 nan 8.360 nan 0.000 0.459 187 S N 1.011 116.758 115.700 0.078 0.000 2.393 187 S HA -0.311 4.163 4.470 0.005 0.000 0.235 187 S C 1.814 176.469 174.600 0.091 0.000 1.061 187 S CA 2.072 60.375 58.200 0.172 0.000 1.129 187 S CB -1.009 62.238 63.200 0.079 0.000 1.011 187 S HN 0.339 nan 8.310 nan 0.000 0.436 188 D N 1.057 121.462 120.400 0.009 0.000 2.292 188 D HA -0.082 4.561 4.640 0.005 0.000 0.205 188 D C 1.642 177.898 176.300 -0.073 0.000 0.994 188 D CA 1.019 55.000 54.000 -0.031 0.000 0.897 188 D CB -0.387 40.392 40.800 -0.035 0.000 0.907 188 D HN 0.467 nan 8.370 nan 0.000 0.467 189 L N -1.076 120.074 121.223 -0.121 0.000 2.044 189 L HA -0.112 4.231 4.340 0.005 0.000 0.205 189 L C 2.021 178.789 176.870 -0.171 0.000 1.075 189 L CA 0.977 55.703 54.840 -0.190 0.000 0.747 189 L CB -0.555 41.329 42.059 -0.292 0.000 0.903 189 L HN 0.149 nan 8.230 nan 0.000 0.435 190 Y N -0.026 120.230 120.300 -0.073 0.000 2.139 190 Y HA -0.361 4.192 4.550 0.005 0.000 0.282 190 Y C 2.606 178.462 175.900 -0.073 0.000 1.179 190 Y CA 1.125 59.182 58.100 -0.071 0.000 1.161 190 Y CB -0.273 38.144 38.460 -0.070 0.000 0.970 190 Y HN 0.048 nan 8.280 nan 0.000 0.511 191 K N 0.475 120.916 120.400 0.068 0.000 2.020 191 K HA -0.185 4.138 4.320 0.005 0.000 0.212 191 K C 1.762 178.324 176.600 -0.063 0.000 1.050 191 K CA 1.464 57.745 56.287 -0.010 0.000 0.929 191 K CB -0.891 31.584 32.500 -0.041 0.000 0.714 191 K HN 0.388 nan 8.250 nan 0.000 0.443 192 L N 0.893 122.047 121.223 -0.116 0.000 2.622 192 L HA -0.014 4.329 4.340 0.005 0.000 0.233 192 L C 0.668 177.497 176.870 -0.068 0.000 1.156 192 L CA 0.424 55.169 54.840 -0.159 0.000 0.866 192 L CB -0.448 41.477 42.059 -0.224 0.000 0.980 192 L HN 0.237 nan 8.230 nan 0.000 0.448 193 K N -0.709 119.672 120.400 -0.032 0.000 3.274 193 K HA -0.185 4.138 4.320 0.005 0.000 0.300 193 K C 0.274 176.866 176.600 -0.013 0.000 1.230 193 K CA 0.724 57.010 56.287 -0.002 0.000 0.884 193 K CB -0.758 31.745 32.500 0.006 0.000 1.242 193 K HN 0.252 nan 8.250 nan 0.000 0.467 194 E N 0.802 120.972 120.200 -0.050 0.000 2.216 194 E HA 0.131 4.484 4.350 0.005 0.000 0.279 194 E C -0.512 176.021 176.600 -0.111 0.000 0.997 194 E CA -0.475 55.896 56.400 -0.048 0.000 0.817 194 E CB 1.466 31.140 29.700 -0.043 0.000 1.096 194 E HN 0.274 nan 8.360 nan 0.000 0.393 195 C N 6.759 126.029 119.300 -0.050 0.000 2.648 195 C HA 0.185 4.648 4.460 0.005 0.000 0.415 195 C C -0.889 174.027 174.990 -0.123 0.000 1.366 195 C CA -1.401 57.583 59.018 -0.057 0.000 1.756 195 C CB -0.054 27.727 27.740 0.070 0.000 2.549 195 C HN 0.566 nan 8.230 nan 0.000 0.597 196 P HA -0.043 nan 4.420 nan 0.000 0.233 196 P C 0.965 178.048 177.300 -0.362 0.000 1.167 196 P CA 1.402 64.251 63.100 -0.418 0.000 0.770 196 P CB -0.047 31.255 31.700 -0.663 0.000 0.837 197 F N 0.300 120.215 119.950 -0.058 0.000 2.569 197 F HA 0.087 4.617 4.527 0.005 0.000 0.295 197 F C 1.113 177.013 175.800 0.166 0.000 1.115 197 F CA -0.017 58.002 58.000 0.031 0.000 1.450 197 F CB -0.788 38.166 39.000 -0.077 0.000 1.107 197 F HN -0.130 nan 8.300 nan 0.000 0.563 198 D N 1.013 121.581 120.400 0.280 0.000 2.412 198 D HA -0.005 4.638 4.640 0.005 0.000 0.257 198 D C 1.016 177.409 176.300 0.155 0.000 1.217 198 D CA 0.078 54.223 54.000 0.243 0.000 0.897 198 D CB 0.684 41.606 40.800 0.203 0.000 1.132 198 D HN 0.030 nan 8.370 nan 0.000 0.493 199 M N 2.303 122.000 119.600 0.161 0.000 2.476 199 M HA 0.283 4.766 4.480 0.005 0.000 0.262 199 M C 1.258 177.588 176.300 0.050 0.000 1.111 199 M CA 0.079 55.432 55.300 0.088 0.000 1.127 199 M CB -1.300 31.349 32.600 0.082 0.000 1.376 199 M HN 0.281 nan 8.290 nan 0.000 0.465 200 G N 0.826 109.707 108.800 0.135 0.000 2.292 200 G HA2 0.036 3.999 3.960 0.005 0.000 0.221 200 G HA3 0.036 3.999 3.960 0.005 0.000 0.221 200 G C 0.475 175.305 174.900 -0.117 0.000 0.657 200 G CA 0.138 45.275 45.100 0.062 0.000 1.036 200 G HN 1.027 nan 8.290 nan 0.000 0.309 201 G N 1.413 110.239 108.800 0.043 0.000 3.805 201 G HA2 0.592 4.555 3.960 0.005 0.000 0.290 201 G HA3 0.592 4.555 3.960 0.005 0.000 0.290 201 G C 0.341 175.122 174.900 -0.198 0.000 1.077 201 G CA 0.148 45.173 45.100 -0.125 0.000 0.852 201 G HN 1.081 nan 8.290 nan 0.000 0.531 202 Y N -1.791 118.286 120.300 -0.372 0.000 2.699 202 Y HA 0.844 5.398 4.550 0.005 0.000 0.326 202 Y C -0.639 174.870 175.900 -0.653 0.000 1.141 202 Y CA -2.185 55.686 58.100 -0.382 0.000 1.246 202 Y CB 1.118 39.493 38.460 -0.141 0.000 1.426 202 Y HN -0.131 nan 8.280 nan 0.000 0.559 203 F N 0.294 120.265 119.950 0.034 0.000 2.538 203 F HA 0.609 5.139 4.527 0.005 0.000 0.325 203 F C -0.769 175.098 175.800 0.112 0.000 1.066 203 F CA -1.075 56.906 58.000 -0.032 0.000 0.946 203 F CB 1.507 40.504 39.000 -0.006 0.000 1.199 203 F HN 0.185 nan 8.300 nan 0.000 0.473 204 I N 3.729 124.464 120.570 0.275 0.000 2.392 204 I HA 0.412 4.585 4.170 0.005 0.000 0.295 204 I C -0.700 175.567 176.117 0.250 0.000 0.985 204 I CA -0.280 61.176 61.300 0.260 0.000 1.221 204 I CB 1.085 39.217 38.000 0.220 0.000 1.366 204 I HN 0.225 nan 8.210 nan 0.000 0.467 205 I N 5.433 126.120 120.570 0.195 0.000 2.571 205 I HA 0.277 4.450 4.170 0.005 0.000 0.289 205 I C -0.334 175.854 176.117 0.119 0.000 1.115 205 I CA -0.746 60.646 61.300 0.152 0.000 1.045 205 I CB 1.568 39.650 38.000 0.137 0.000 1.238 205 I HN 0.576 nan 8.210 nan 0.000 0.424 206 N N 4.504 123.262 118.700 0.097 0.000 2.696 206 N HA -0.232 4.511 4.740 0.005 0.000 0.249 206 N C 1.182 176.746 175.510 0.089 0.000 1.090 206 N CA 1.552 54.647 53.050 0.076 0.000 0.716 206 N CB -0.978 37.551 38.487 0.070 0.000 1.020 206 N HN 1.229 nan 8.380 nan 0.000 0.548 207 G N -1.605 107.257 108.800 0.103 0.000 2.900 207 G HA2 -0.367 3.596 3.960 0.005 0.000 0.223 207 G HA3 -0.367 3.596 3.960 0.005 0.000 0.223 207 G C 0.148 175.119 174.900 0.119 0.000 1.293 207 G CA 0.846 46.015 45.100 0.115 0.000 0.792 207 G HN 1.426 nan 8.290 nan 0.000 0.527 208 S N 1.779 117.539 115.700 0.101 0.000 2.533 208 S HA 0.514 4.987 4.470 0.005 0.000 0.282 208 S C 0.206 174.870 174.600 0.106 0.000 1.304 208 S CA 0.358 58.605 58.200 0.079 0.000 1.063 208 S CB 1.482 64.714 63.200 0.054 0.000 0.881 208 S HN 0.678 nan 8.310 nan 0.000 0.493 209 E N 1.999 122.250 120.200 0.085 0.000 2.422 209 E HA 0.197 4.550 4.350 0.005 0.000 0.260 209 E C -0.134 176.538 176.600 0.120 0.000 1.108 209 E CA 0.058 56.536 56.400 0.130 0.000 0.943 209 E CB 0.411 30.042 29.700 -0.115 0.000 0.961 209 E HN 0.503 nan 8.360 nan 0.000 0.443 210 K N 0.945 121.471 120.400 0.209 0.000 2.513 210 K HA 0.385 4.708 4.320 0.005 0.000 0.251 210 K C -1.354 175.377 176.600 0.219 0.000 0.939 210 K CA -0.712 55.683 56.287 0.180 0.000 0.793 210 K CB 2.066 34.675 32.500 0.181 0.000 1.241 210 K HN 0.209 nan 8.250 nan 0.000 0.431 211 V N 3.272 123.266 119.914 0.133 0.000 2.483 211 V HA 0.416 4.539 4.120 0.005 0.000 0.295 211 V C 0.128 176.221 176.094 -0.002 0.000 1.035 211 V CA -1.014 61.328 62.300 0.069 0.000 0.896 211 V CB 1.476 33.266 31.823 -0.054 0.000 0.986 211 V HN 0.555 nan 8.190 nan 0.000 0.447 212 L N 5.404 126.633 121.223 0.009 0.000 2.261 212 L HA 0.400 4.743 4.340 0.005 0.000 0.289 212 L C -0.226 176.557 176.870 -0.144 0.000 1.059 212 L CA -0.224 54.551 54.840 -0.108 0.000 0.816 212 L CB 0.710 42.758 42.059 -0.019 0.000 1.191 212 L HN 0.419 nan 8.230 nan 0.000 0.431 213 I N 3.278 123.726 120.570 -0.203 0.000 2.441 213 I HA 0.159 4.332 4.170 0.005 0.000 0.287 213 I C 0.933 176.963 176.117 -0.145 0.000 1.049 213 I CA -0.178 61.009 61.300 -0.188 0.000 1.381 213 I CB 1.336 39.224 38.000 -0.188 0.000 1.409 213 I HN 0.591 nan 8.210 nan 0.000 0.523 214 A N 8.075 130.837 122.820 -0.096 0.000 2.522 214 A HA 0.136 4.459 4.320 0.005 0.000 0.256 214 A C 0.435 177.992 177.584 -0.045 0.000 1.086 214 A CA -0.279 51.727 52.037 -0.053 0.000 0.763 214 A CB -0.110 18.879 19.000 -0.020 0.000 1.024 214 A HN 0.661 nan 8.150 nan 0.000 0.502 215 Q N 1.345 121.120 119.800 -0.041 0.000 2.260 215 Q HA 0.389 4.732 4.340 0.005 0.000 0.238 215 Q C -0.297 175.706 176.000 0.005 0.000 0.948 215 Q CA -0.136 55.653 55.803 -0.025 0.000 0.895 215 Q CB 1.415 30.135 28.738 -0.031 0.000 1.218 215 Q HN 0.836 nan 8.270 nan 0.000 0.470 216 E N 0.876 121.087 120.200 0.019 0.000 2.212 216 E HA 0.540 4.893 4.350 0.005 0.000 0.268 216 E C -1.092 175.522 176.600 0.025 0.000 0.902 216 E CA -0.615 55.806 56.400 0.034 0.000 0.779 216 E CB 1.306 31.052 29.700 0.078 0.000 1.172 216 E HN 0.537 nan 8.360 nan 0.000 0.409 217 R N 0.711 121.217 120.500 0.010 0.000 2.604 217 R HA 0.323 4.666 4.340 0.005 0.000 0.261 217 R C -1.273 175.023 176.300 -0.006 0.000 1.080 217 R CA -0.906 55.201 56.100 0.011 0.000 0.917 217 R CB 0.823 31.133 30.300 0.017 0.000 1.252 217 R HN 0.437 nan 8.270 nan 0.000 0.456 218 S N 1.624 117.328 115.700 0.007 0.000 2.546 218 S HA 0.370 4.843 4.470 0.005 0.000 0.290 218 S C 0.772 175.370 174.600 -0.004 0.000 1.290 218 S CA -0.283 57.918 58.200 0.003 0.000 1.069 218 S CB 0.866 64.087 63.200 0.034 0.000 0.846 218 S HN 0.811 nan 8.310 nan 0.000 0.495 219 A N 3.387 126.192 122.820 -0.026 0.000 2.310 219 A HA 0.684 5.007 4.320 0.005 0.000 0.260 219 A C 0.838 178.421 177.584 -0.001 0.000 1.112 219 A CA -0.123 51.902 52.037 -0.020 0.000 0.804 219 A CB -0.430 18.543 19.000 -0.045 0.000 1.081 219 A HN 1.231 nan 8.150 nan 0.000 0.499 220 G N -1.974 106.826 108.800 0.000 0.000 2.491 220 G HA2 0.464 4.427 3.960 0.005 0.000 0.327 220 G HA3 0.464 4.427 3.960 0.005 0.000 0.327 220 G C -0.105 174.771 174.900 -0.041 0.000 1.189 220 G CA -0.073 45.009 45.100 -0.029 0.000 0.956 220 G HN 1.004 nan 8.290 nan 0.000 0.491 221 N N -2.167 116.449 118.700 -0.141 0.000 2.948 221 N HA -0.169 4.574 4.740 0.005 0.000 0.239 221 N C 0.064 175.604 175.510 0.050 0.000 0.954 221 N CA 1.495 54.418 53.050 -0.212 0.000 0.941 221 N CB -1.443 36.888 38.487 -0.261 0.000 1.101 221 N HN 0.680 nan 8.380 nan 0.000 0.579 222 I N -3.505 117.099 120.570 0.057 0.000 2.608 222 I HA 0.751 4.924 4.170 0.005 0.000 0.295 222 I C 0.599 176.723 176.117 0.013 0.000 1.049 222 I CA -1.250 60.086 61.300 0.060 0.000 1.063 222 I CB 2.120 40.141 38.000 0.035 0.000 1.248 222 I HN -0.182 nan 8.210 nan 0.000 0.424 223 V N 3.468 123.365 119.914 -0.028 0.000 7.161 223 V HA -0.130 3.993 4.120 0.005 0.000 0.387 223 V C -0.421 175.560 176.094 -0.189 0.000 0.356 223 V CA 0.210 62.474 62.300 -0.059 0.000 0.868 223 V CB -1.215 30.627 31.823 0.033 0.000 0.578 223 V HN 1.043 nan 8.190 nan 0.000 1.087 224 Q N 0.088 119.709 119.800 -0.299 0.000 2.495 224 Q HA 0.873 5.216 4.340 0.005 0.000 0.287 224 Q C -0.740 174.879 176.000 -0.636 0.000 1.078 224 Q CA -0.820 54.696 55.803 -0.477 0.000 0.793 224 Q CB 3.333 31.709 28.738 -0.604 0.000 1.459 224 Q HN 0.568 nan 8.270 nan 0.000 0.422 225 V N -1.214 118.330 119.914 -0.617 0.000 2.540 225 V HA 0.637 4.760 4.120 0.005 0.000 0.302 225 V C -1.058 174.831 176.094 -0.343 0.000 1.035 225 V CA -0.702 61.320 62.300 -0.464 0.000 0.873 225 V CB 0.960 32.621 31.823 -0.269 0.000 0.992 225 V HN 0.667 nan 8.190 nan 0.000 0.428 226 F N 2.386 122.333 119.950 -0.005 0.000 2.430 226 F HA 0.476 5.006 4.527 0.005 0.000 0.362 226 F C 0.753 176.593 175.800 0.068 0.000 1.103 226 F CA -0.966 57.044 58.000 0.018 0.000 1.045 226 F CB 1.752 40.765 39.000 0.022 0.000 1.276 226 F HN 0.429 nan 8.300 nan 0.000 0.444 227 K N 4.536 125.092 120.400 0.259 0.000 2.419 227 K HA 0.078 4.401 4.320 0.005 0.000 0.282 227 K C -0.175 176.539 176.600 0.190 0.000 1.056 227 K CA 0.334 56.782 56.287 0.268 0.000 1.035 227 K CB 0.593 33.202 32.500 0.180 0.000 0.921 227 K HN 0.559 nan 8.250 nan 0.000 0.472 228 K N 1.798 122.297 120.400 0.165 0.000 2.130 228 K HA 0.287 4.610 4.320 0.005 0.000 0.268 228 K C -0.025 176.596 176.600 0.036 0.000 0.983 228 K CA -0.612 55.723 56.287 0.080 0.000 0.893 228 K CB 1.554 34.090 32.500 0.059 0.000 1.066 228 K HN 0.650 nan 8.250 nan 0.000 0.450 229 A N 1.814 124.644 122.820 0.018 0.000 2.644 229 A HA -0.040 4.283 4.320 0.005 0.000 0.230 229 A C 1.286 178.864 177.584 -0.009 0.000 1.080 229 A CA 1.110 53.149 52.037 0.004 0.000 0.773 229 A CB -0.133 18.864 19.000 -0.005 0.000 1.007 229 A HN 0.952 nan 8.150 nan 0.000 0.512 230 A N 1.600 124.415 122.820 -0.008 0.000 1.873 230 A HA 0.028 4.351 4.320 0.005 0.000 0.215 230 A C -0.084 177.486 177.584 -0.023 0.000 1.186 230 A CA 1.680 53.709 52.037 -0.015 0.000 0.616 230 A CB -1.362 17.633 19.000 -0.008 0.000 0.823 230 A HN 0.732 nan 8.150 nan 0.000 0.442 231 P HA 0.058 nan 4.420 nan 0.000 0.258 231 P C -0.124 177.154 177.300 -0.036 0.000 1.403 231 P CA 0.678 63.764 63.100 -0.024 0.000 0.826 231 P CB -0.568 31.122 31.700 -0.017 0.000 1.414 232 S N 0.378 116.050 115.700 -0.047 0.000 2.433 232 S HA 0.413 4.886 4.470 0.005 0.000 0.310 232 S C -1.500 173.037 174.600 -0.106 0.000 1.097 232 S CA -1.611 56.544 58.200 -0.076 0.000 1.103 232 S CB 1.743 64.903 63.200 -0.068 0.000 0.992 232 S HN -0.144 nan 8.310 nan 0.000 0.469 233 P HA -0.050 nan 4.420 nan 0.000 0.221 233 P C 0.672 177.811 177.300 -0.268 0.000 1.145 233 P CA 0.656 63.649 63.100 -0.179 0.000 0.795 233 P CB -0.347 31.224 31.700 -0.215 0.000 0.775 234 I N -0.904 119.475 120.570 -0.317 0.000 2.436 234 I HA 0.157 4.330 4.170 0.005 0.000 0.289 234 I C 1.515 177.549 176.117 -0.139 0.000 1.083 234 I CA 0.163 61.297 61.300 -0.277 0.000 1.372 234 I CB 0.592 38.455 38.000 -0.230 0.000 1.408 234 I HN -0.116 nan 8.210 nan 0.000 0.516 235 S N 5.661 121.281 115.700 -0.134 0.000 2.310 235 S HA 0.064 4.537 4.470 0.005 0.000 0.205 235 S C 0.742 175.229 174.600 -0.188 0.000 1.020 235 S CA 0.466 58.522 58.200 -0.241 0.000 0.939 235 S CB 0.112 63.060 63.200 -0.421 0.000 0.919 235 S HN 0.764 nan 8.310 nan 0.000 0.501 236 H N -0.248 118.845 119.070 0.038 0.000 2.573 236 H HA 0.740 5.299 4.556 0.005 0.000 0.351 236 H C -1.011 174.345 175.328 0.046 0.000 1.163 236 H CA -0.692 55.380 56.048 0.039 0.000 1.205 236 H CB 1.367 31.141 29.762 0.019 0.000 1.605 236 H HN 0.207 nan 8.280 nan 0.000 0.525 237 V N 0.765 120.789 119.914 0.183 0.000 2.686 237 V HA 0.503 4.626 4.120 0.005 0.000 0.306 237 V C -0.375 175.725 176.094 0.009 0.000 1.065 237 V CA -0.991 61.375 62.300 0.110 0.000 0.894 237 V CB 1.897 33.796 31.823 0.127 0.000 1.004 237 V HN 0.959 nan 8.190 nan 0.000 0.424 238 A N 3.648 126.453 122.820 -0.025 0.000 2.280 238 A HA 0.686 5.009 4.320 0.005 0.000 0.320 238 A C -0.195 177.337 177.584 -0.086 0.000 1.366 238 A CA -0.367 51.596 52.037 -0.124 0.000 0.938 238 A CB 0.313 19.248 19.000 -0.110 0.000 1.157 238 A HN 0.833 nan 8.150 nan 0.000 0.536 239 E N 1.574 121.681 120.200 -0.156 0.000 2.248 239 E HA 0.546 4.899 4.350 0.005 0.000 0.272 239 E C -1.210 175.364 176.600 -0.044 0.000 1.008 239 E CA -0.492 55.881 56.400 -0.046 0.000 0.856 239 E CB 1.374 31.096 29.700 0.035 0.000 1.120 239 E HN 0.555 nan 8.360 nan 0.000 0.397 240 I N 3.688 124.270 120.570 0.019 0.000 2.608 240 I HA 0.145 4.318 4.170 0.005 0.000 0.280 240 I C -1.225 174.909 176.117 0.028 0.000 1.186 240 I CA -0.397 60.924 61.300 0.035 0.000 1.081 240 I CB 0.908 38.967 38.000 0.098 0.000 1.272 240 I HN 0.596 nan 8.210 nan 0.000 0.460 241 R N 4.639 125.149 120.500 0.017 0.000 2.343 241 R HA 0.265 4.608 4.340 0.005 0.000 0.326 241 R C 0.182 176.452 176.300 -0.050 0.000 1.055 241 R CA -0.080 56.022 56.100 0.004 0.000 0.961 241 R CB 0.334 30.644 30.300 0.016 0.000 0.978 241 R HN 0.633 nan 8.270 nan 0.000 0.443 242 S N 1.275 116.949 115.700 -0.043 0.000 2.456 242 S HA 0.767 5.240 4.470 0.005 0.000 0.316 242 S C -0.463 174.118 174.600 -0.032 0.000 1.089 242 S CA -0.861 57.278 58.200 -0.103 0.000 1.101 242 S CB 2.139 65.350 63.200 0.018 0.000 0.995 242 S HN 0.692 nan 8.310 nan 0.000 0.468 243 A N 2.679 125.458 122.820 -0.068 0.000 2.606 243 A HA 0.734 5.058 4.320 0.005 0.000 0.293 243 A C -1.437 176.144 177.584 -0.005 0.000 1.082 243 A CA -0.999 51.044 52.037 0.010 0.000 0.685 243 A CB 0.891 19.908 19.000 0.028 0.000 1.284 243 A HN 0.744 nan 8.150 nan 0.000 0.408 244 L N 1.656 122.900 121.223 0.035 0.000 2.275 244 L HA 0.426 4.769 4.340 0.005 0.000 0.288 244 L C 1.577 178.468 176.870 0.035 0.000 1.046 244 L CA -0.297 54.559 54.840 0.026 0.000 0.805 244 L CB 1.000 43.070 42.059 0.018 0.000 1.193 244 L HN 0.841 nan 8.230 nan 0.000 0.426 245 E N 3.311 123.528 120.200 0.030 0.000 2.511 245 E HA -0.133 4.220 4.350 0.005 0.000 0.196 245 E C -0.295 176.334 176.600 0.048 0.000 1.066 245 E CA 0.327 56.751 56.400 0.040 0.000 0.871 245 E CB -0.140 29.582 29.700 0.038 0.000 0.863 245 E HN 0.761 nan 8.360 nan 0.000 0.520 246 K N -0.636 119.791 120.400 0.044 0.000 2.992 246 K HA 0.583 4.906 4.320 0.005 0.000 0.178 246 K C -0.423 176.205 176.600 0.048 0.000 1.122 246 K CA -0.404 55.912 56.287 0.048 0.000 0.926 246 K CB 0.768 33.291 32.500 0.039 0.000 1.121 246 K HN 0.085 nan 8.250 nan 0.000 0.610 247 G N 0.329 109.168 108.800 0.064 0.000 2.350 247 G HA2 0.191 4.154 3.960 0.005 0.000 0.274 247 G HA3 0.191 4.154 3.960 0.005 0.000 0.274 247 G C -0.143 174.819 174.900 0.104 0.000 1.621 247 G CA -0.192 44.951 45.100 0.072 0.000 0.935 247 G HN 0.480 nan 8.290 nan 0.000 0.694 248 S N 0.548 116.322 115.700 0.124 0.000 4.159 248 S HA -0.345 4.128 4.470 0.005 0.000 0.541 248 S C 1.085 175.770 174.600 0.142 0.000 1.865 248 S CA 2.657 60.959 58.200 0.170 0.000 4.249 248 S CB -1.011 62.378 63.200 0.315 0.000 0.215 248 S HN 2.670 nan 8.310 nan 0.000 0.455 249 R N -0.586 120.021 120.500 0.178 0.000 2.394 249 R HA 0.035 4.378 4.340 0.005 0.000 0.292 249 R C -1.429 174.936 176.300 0.109 0.000 1.004 249 R CA 0.684 56.854 56.100 0.117 0.000 0.602 249 R CB -1.880 28.457 30.300 0.062 0.000 1.719 249 R HN 0.355 nan 8.270 nan 0.000 0.375 250 F N 2.480 122.433 119.950 0.004 0.000 2.466 250 F HA 0.301 4.831 4.527 0.005 0.000 0.363 250 F C 0.913 176.705 175.800 -0.013 0.000 1.109 250 F CA -0.159 57.837 58.000 -0.007 0.000 1.161 250 F CB 0.595 39.586 39.000 -0.016 0.000 1.117 250 F HN 0.069 nan 8.300 nan 0.000 0.539 251 I N 4.178 124.766 120.570 0.031 0.000 2.395 251 I HA 0.102 4.275 4.170 0.005 0.000 0.282 251 I C -0.071 176.061 176.117 0.025 0.000 1.107 251 I CA -0.202 61.114 61.300 0.028 0.000 1.210 251 I CB 0.069 38.070 38.000 0.002 0.000 1.456 251 I HN 0.343 nan 8.210 nan 0.000 0.504 252 S N 3.483 119.218 115.700 0.058 0.000 3.489 252 S HA 0.128 4.601 4.470 0.005 0.000 0.227 252 S C 0.891 175.506 174.600 0.025 0.000 1.360 252 S CA -0.620 57.604 58.200 0.040 0.000 0.934 252 S CB -0.246 62.989 63.200 0.057 0.000 1.410 252 S HN 0.693 nan 8.310 nan 0.000 0.483 253 T N 1.258 115.828 114.554 0.026 0.000 2.829 253 T HA 0.352 4.705 4.350 0.005 0.000 0.293 253 T C -0.205 174.517 174.700 0.037 0.000 0.970 253 T CA -0.437 61.683 62.100 0.033 0.000 1.168 253 T CB 0.160 69.052 68.868 0.040 0.000 0.911 253 T HN 0.301 nan 8.240 nan 0.000 0.535 254 L N 3.004 124.248 121.223 0.035 0.000 2.322 254 L HA 0.500 4.843 4.340 0.005 0.000 0.281 254 L C -0.377 176.526 176.870 0.055 0.000 1.014 254 L CA -0.367 54.499 54.840 0.042 0.000 0.815 254 L CB 2.027 44.090 42.059 0.007 0.000 1.247 254 L HN 0.771 nan 8.230 nan 0.000 0.421 255 Q N 3.406 123.248 119.800 0.069 0.000 2.310 255 Q HA 0.470 4.813 4.340 0.005 0.000 0.270 255 Q C -1.284 174.766 176.000 0.082 0.000 1.025 255 Q CA -0.687 55.160 55.803 0.073 0.000 0.772 255 Q CB 2.641 31.430 28.738 0.085 0.000 1.253 255 Q HN 0.412 nan 8.270 nan 0.000 0.450 256 V N 3.844 123.799 119.914 0.069 0.000 2.299 256 V HA 0.164 4.287 4.120 0.005 0.000 0.255 256 V C -0.283 175.871 176.094 0.099 0.000 1.100 256 V CA -0.420 61.926 62.300 0.076 0.000 0.938 256 V CB -0.111 31.744 31.823 0.054 0.000 1.139 256 V HN 0.574 nan 8.190 nan 0.000 0.490 257 K N 4.216 124.702 120.400 0.143 0.000 2.316 257 K HA 0.374 4.697 4.320 0.005 0.000 0.289 257 K C -0.446 176.302 176.600 0.247 0.000 1.070 257 K CA -0.651 55.758 56.287 0.203 0.000 0.928 257 K CB 1.248 33.931 32.500 0.305 0.000 1.039 257 K HN 0.399 nan 8.250 nan 0.000 0.480 258 L N 5.423 126.763 121.223 0.194 0.000 2.282 258 L HA 0.226 4.569 4.340 0.005 0.000 0.287 258 L C -1.047 175.944 176.870 0.202 0.000 1.075 258 L CA -0.307 54.639 54.840 0.177 0.000 0.839 258 L CB -0.471 41.656 42.059 0.114 0.000 1.219 258 L HN 0.372 nan 8.230 nan 0.000 0.434 259 Y N 3.553 123.849 120.300 -0.006 0.000 2.426 259 Y HA 0.504 5.057 4.550 0.005 0.000 0.344 259 Y C 1.279 177.160 175.900 -0.032 0.000 1.256 259 Y CA 0.125 58.216 58.100 -0.014 0.000 1.451 259 Y CB 0.481 38.943 38.460 0.003 0.000 1.342 259 Y HN 0.857 nan 8.280 nan 0.000 0.600 260 G N 2.523 111.376 108.800 0.088 0.000 3.153 260 G HA2 -0.152 3.811 3.960 0.005 0.000 0.686 260 G HA3 -0.152 3.811 3.960 0.005 0.000 0.686 260 G C -0.201 174.685 174.900 -0.023 0.000 0.995 260 G CA -1.067 44.055 45.100 0.037 0.000 0.783 260 G HN 0.515 nan 8.290 nan 0.000 0.551 261 R N 0.898 121.381 120.500 -0.028 0.000 2.954 261 R HA 0.180 4.524 4.340 0.005 0.000 0.276 261 R C 0.939 177.220 176.300 -0.031 0.000 1.218 261 R CA -0.264 55.810 56.100 -0.044 0.000 1.149 261 R CB 0.133 30.417 30.300 -0.026 0.000 1.112 261 R HN 0.758 nan 8.270 nan 0.000 0.577 262 E N 0.533 120.720 120.200 -0.022 0.000 2.029 262 E HA 0.113 4.466 4.350 0.005 0.000 0.276 262 E C 0.348 176.953 176.600 0.008 0.000 1.163 262 E CA 0.683 57.083 56.400 -0.001 0.000 0.909 262 E CB -0.154 29.552 29.700 0.010 0.000 1.046 262 E HN 0.720 nan 8.360 nan 0.000 0.406 263 G N 3.451 112.260 108.800 0.013 0.000 2.349 263 G HA2 -0.299 3.664 3.960 0.005 0.000 0.213 263 G HA3 -0.299 3.664 3.960 0.005 0.000 0.213 263 G C 0.445 175.357 174.900 0.019 0.000 1.044 263 G CA 0.038 45.149 45.100 0.019 0.000 0.633 263 G HN 0.609 nan 8.290 nan 0.000 0.506 264 S N 2.014 117.722 115.700 0.014 0.000 3.225 264 S HA 0.309 4.783 4.470 0.005 0.000 0.378 264 S C 1.312 175.927 174.600 0.026 0.000 1.190 264 S CA 1.159 59.369 58.200 0.017 0.000 1.104 264 S CB -0.472 62.735 63.200 0.011 0.000 0.795 264 S HN 2.120 nan 8.310 nan 0.000 0.517 265 S N 4.582 120.299 115.700 0.027 0.000 3.869 265 S HA 0.177 4.650 4.470 0.005 0.000 0.454 265 S C 0.608 175.228 174.600 0.034 0.000 0.849 265 S CA -0.016 58.202 58.200 0.029 0.000 1.820 265 S CB -1.816 61.400 63.200 0.027 0.000 1.054 265 S HN 2.286 nan 8.310 nan 0.000 0.599 266 A N 2.344 125.185 122.820 0.035 0.000 1.554 266 A HA -0.160 4.163 4.320 0.005 0.000 0.210 266 A C 0.404 178.013 177.584 0.041 0.000 1.250 266 A CA 0.287 52.346 52.037 0.037 0.000 0.617 266 A CB -1.139 17.881 19.000 0.034 0.000 1.224 266 A HN 0.913 nan 8.150 nan 0.000 0.190 267 R N 1.546 122.071 120.500 0.042 0.000 2.291 267 R HA 0.309 4.652 4.340 0.005 0.000 0.333 267 R C 0.620 176.947 176.300 0.045 0.000 1.082 267 R CA 0.738 56.867 56.100 0.048 0.000 0.948 267 R CB 0.662 30.986 30.300 0.040 0.000 1.009 267 R HN 0.805 nan 8.270 nan 0.000 0.460 268 T N 4.058 118.638 114.554 0.043 0.000 2.799 268 T HA 0.382 4.735 4.350 0.005 0.000 0.286 268 T C 0.217 174.911 174.700 -0.010 0.000 0.973 268 T CA -0.607 61.490 62.100 -0.004 0.000 1.035 268 T CB 0.458 69.285 68.868 -0.068 0.000 0.932 268 T HN 0.388 nan 8.240 nan 0.000 0.469 269 I N 5.287 125.857 120.570 -0.000 0.000 2.315 269 I HA 0.410 4.583 4.170 0.005 0.000 0.291 269 I C 0.386 176.490 176.117 -0.021 0.000 1.006 269 I CA -0.594 60.719 61.300 0.022 0.000 1.265 269 I CB 1.126 39.160 38.000 0.056 0.000 1.387 269 I HN 0.535 nan 8.210 nan 0.000 0.475 270 K N 4.706 125.084 120.400 -0.037 0.000 2.340 270 K HA 0.879 5.202 4.320 0.005 0.000 0.244 270 K C -0.915 175.702 176.600 0.029 0.000 0.973 270 K CA -0.751 55.506 56.287 -0.051 0.000 0.828 270 K CB 2.555 34.946 32.500 -0.182 0.000 1.226 270 K HN 0.618 nan 8.250 nan 0.000 0.437 271 A N 0.489 123.324 122.820 0.025 0.000 2.386 271 A HA 0.688 5.011 4.320 0.005 0.000 0.308 271 A C -0.962 176.655 177.584 0.055 0.000 1.128 271 A CA -0.557 51.514 52.037 0.057 0.000 0.789 271 A CB 1.936 20.973 19.000 0.062 0.000 1.325 271 A HN 0.507 nan 8.150 nan 0.000 0.437 272 T N 0.355 114.956 114.554 0.078 0.000 2.863 272 T HA 0.667 5.020 4.350 0.005 0.000 0.285 272 T C -1.145 173.602 174.700 0.078 0.000 1.009 272 T CA -0.238 61.903 62.100 0.068 0.000 0.989 272 T CB 0.261 69.176 68.868 0.079 0.000 1.004 272 T HN 0.486 nan 8.240 nan 0.000 0.455 273 L N 5.629 126.885 121.223 0.056 0.000 2.354 273 L HA 0.605 4.948 4.340 0.005 0.000 0.264 273 L C -1.957 174.940 176.870 0.045 0.000 1.008 273 L CA -2.309 52.569 54.840 0.065 0.000 0.819 273 L CB 2.573 44.657 42.059 0.041 0.000 1.339 273 L HN 0.520 nan 8.230 nan 0.000 0.420 274 P HA -0.016 nan 4.420 nan 0.000 0.269 274 P C -0.387 176.961 177.300 0.081 0.000 1.217 274 P CA 0.255 63.356 63.100 0.002 0.000 0.783 274 P CB 0.449 32.076 31.700 -0.122 0.000 0.898 275 Y N -2.794 117.522 120.300 0.027 0.000 2.802 275 Y HA -0.302 4.251 4.550 0.005 0.000 0.485 275 Y C 1.356 177.272 175.900 0.028 0.000 1.190 275 Y CA 0.868 58.990 58.100 0.037 0.000 2.757 275 Y CB -2.557 35.906 38.460 0.006 0.000 0.919 275 Y HN 0.369 nan 8.280 nan 0.000 0.540 276 I N 0.644 121.297 120.570 0.138 0.000 2.886 276 I HA 0.270 4.443 4.170 0.005 0.000 0.299 276 I C 1.161 177.300 176.117 0.038 0.000 1.044 276 I CA -0.583 60.748 61.300 0.052 0.000 1.310 276 I CB 0.927 38.903 38.000 -0.041 0.000 1.441 276 I HN -0.095 nan 8.210 nan 0.000 0.578 277 K N 1.449 121.856 120.400 0.011 0.000 2.063 277 K HA 0.111 4.434 4.320 0.005 0.000 0.204 277 K C 0.792 177.396 176.600 0.006 0.000 1.039 277 K CA 0.723 57.019 56.287 0.016 0.000 0.957 277 K CB -0.184 32.324 32.500 0.014 0.000 0.764 277 K HN 0.597 nan 8.250 nan 0.000 0.447 278 Q N 0.484 120.266 119.800 -0.031 0.000 2.166 278 Q HA 0.131 4.474 4.340 0.005 0.000 0.226 278 Q C -1.006 174.976 176.000 -0.029 0.000 0.989 278 Q CA -0.714 55.077 55.803 -0.019 0.000 0.966 278 Q CB 1.092 29.814 28.738 -0.027 0.000 1.173 278 Q HN 0.066 nan 8.270 nan 0.000 0.509 279 D N 0.647 121.048 120.400 0.002 0.000 2.175 279 D HA 0.357 5.000 4.640 0.005 0.000 0.248 279 D C -0.944 175.333 176.300 -0.038 0.000 1.047 279 D CA -0.096 53.903 54.000 -0.000 0.000 0.883 279 D CB 1.048 41.877 40.800 0.049 0.000 1.180 279 D HN 0.264 nan 8.370 nan 0.000 0.438 280 I N 2.771 123.316 120.570 -0.042 0.000 2.382 280 I HA 0.222 4.396 4.170 0.005 0.000 0.286 280 I C -2.321 173.802 176.117 0.011 0.000 1.002 280 I CA -2.121 59.168 61.300 -0.017 0.000 1.135 280 I CB 1.632 39.582 38.000 -0.084 0.000 1.288 280 I HN -0.026 nan 8.210 nan 0.000 0.448 281 P HA -0.020 nan 4.420 nan 0.000 0.263 281 P C 1.131 178.445 177.300 0.023 0.000 1.168 281 P CA 0.259 63.370 63.100 0.017 0.000 0.759 281 P CB 0.390 32.109 31.700 0.032 0.000 0.782 282 I N 1.327 121.909 120.570 0.021 0.000 2.546 282 I HA -0.171 4.002 4.170 0.005 0.000 0.255 282 I C 1.446 177.601 176.117 0.064 0.000 1.163 282 I CA 1.054 62.350 61.300 -0.007 0.000 1.457 282 I CB -0.650 37.363 38.000 0.021 0.000 1.092 282 I HN 0.017 nan 8.210 nan 0.000 0.434 283 V N 2.060 122.062 119.914 0.147 0.000 2.287 283 V HA -0.264 3.859 4.120 0.005 0.000 0.248 283 V C 2.669 178.845 176.094 0.138 0.000 1.053 283 V CA 1.843 64.262 62.300 0.199 0.000 1.027 283 V CB -0.885 31.015 31.823 0.129 0.000 0.646 283 V HN 0.446 nan 8.190 nan 0.000 0.447 284 I N -0.145 120.472 120.570 0.079 0.000 2.286 284 I HA -0.182 3.991 4.170 0.005 0.000 0.248 284 I C 2.397 178.520 176.117 0.010 0.000 1.115 284 I CA 1.603 62.943 61.300 0.067 0.000 1.392 284 I CB -1.065 37.012 38.000 0.129 0.000 1.065 284 I HN 0.259 nan 8.210 nan 0.000 0.418 285 I N 0.305 120.834 120.570 -0.069 0.000 2.353 285 I HA -0.191 3.982 4.170 0.005 0.000 0.248 285 I C 2.648 178.629 176.117 -0.226 0.000 1.119 285 I CA 1.264 62.436 61.300 -0.215 0.000 1.417 285 I CB -1.317 36.490 38.000 -0.321 0.000 1.078 285 I HN 0.081 nan 8.210 nan 0.000 0.421 286 F N 1.242 121.149 119.950 -0.071 0.000 2.126 286 F HA -0.202 4.328 4.527 0.005 0.000 0.299 286 F C 2.773 178.515 175.800 -0.097 0.000 1.096 286 F CA 1.144 59.087 58.000 -0.095 0.000 1.255 286 F CB -0.341 38.608 39.000 -0.085 0.000 0.997 286 F HN -0.032 nan 8.300 nan 0.000 0.479 287 R N -0.131 120.442 120.500 0.121 0.000 2.148 287 R HA -0.061 4.282 4.340 0.005 0.000 0.227 287 R C 2.017 178.325 176.300 0.013 0.000 1.103 287 R CA 0.930 57.063 56.100 0.054 0.000 0.983 287 R CB -0.360 29.972 30.300 0.053 0.000 0.874 287 R HN 0.213 nan 8.270 nan 0.000 0.451 288 A N -0.232 122.576 122.820 -0.020 0.000 2.251 288 A HA 0.094 4.417 4.320 0.005 0.000 0.209 288 A C 1.592 179.133 177.584 -0.072 0.000 1.187 288 A CA 0.422 52.429 52.037 -0.051 0.000 0.823 288 A CB 0.076 19.025 19.000 -0.085 0.000 0.846 288 A HN 0.206 nan 8.150 nan 0.000 0.486 289 L N -2.764 118.427 121.223 -0.053 0.000 2.609 289 L HA 0.311 4.654 4.340 0.005 0.000 0.230 289 L C 1.723 178.587 176.870 -0.010 0.000 1.087 289 L CA 0.851 55.667 54.840 -0.040 0.000 0.874 289 L CB 0.567 42.608 42.059 -0.031 0.000 1.114 289 L HN 0.515 nan 8.230 nan 0.000 0.488 290 G N 0.183 108.977 108.800 -0.009 0.000 3.006 290 G HA2 -0.145 3.818 3.960 0.005 0.000 0.195 290 G HA3 -0.145 3.818 3.960 0.005 0.000 0.195 290 G C 0.157 175.039 174.900 -0.029 0.000 1.034 290 G CA -0.595 44.497 45.100 -0.014 0.000 0.807 290 G HN 0.064 nan 8.290 nan 0.000 0.469 291 I N 2.610 123.147 120.570 -0.055 0.000 2.421 291 I HA 0.351 4.524 4.170 0.005 0.000 0.291 291 I C 1.394 177.486 176.117 -0.042 0.000 1.089 291 I CA 0.012 61.251 61.300 -0.100 0.000 1.354 291 I CB 0.814 38.652 38.000 -0.270 0.000 1.413 291 I HN 0.168 nan 8.210 nan 0.000 0.513 292 I N 6.515 127.065 120.570 -0.032 0.000 2.947 292 I HA 0.128 4.301 4.170 0.005 0.000 0.263 292 I C -1.593 174.517 176.117 -0.012 0.000 1.130 292 I CA -0.135 61.160 61.300 -0.008 0.000 1.448 292 I CB -0.562 37.437 38.000 -0.002 0.000 1.222 292 I HN 0.408 nan 8.210 nan 0.000 0.453 293 P HA 0.074 nan 4.420 nan 0.000 0.276 293 P C -1.144 176.134 177.300 -0.038 0.000 1.230 293 P CA -0.033 63.051 63.100 -0.027 0.000 0.776 293 P CB 0.368 32.049 31.700 -0.033 0.000 0.888 294 D N 1.777 122.163 120.400 -0.023 0.000 2.515 294 D HA 0.123 4.766 4.640 0.005 0.000 0.232 294 D C 1.688 177.961 176.300 -0.045 0.000 1.157 294 D CA 1.437 55.421 54.000 -0.027 0.000 0.871 294 D CB -0.159 40.634 40.800 -0.011 0.000 1.200 294 D HN 0.732 nan 8.370 nan 0.000 0.466 295 G N 1.582 110.349 108.800 -0.054 0.000 2.729 295 G HA2 -0.339 3.624 3.960 0.005 0.000 0.216 295 G HA3 -0.339 3.624 3.960 0.005 0.000 0.216 295 G C 0.993 175.857 174.900 -0.060 0.000 1.252 295 G CA 0.323 45.391 45.100 -0.053 0.000 0.751 295 G HN 0.545 nan 8.290 nan 0.000 0.527 296 E N 0.418 120.581 120.200 -0.061 0.000 2.216 296 E HA 0.053 4.406 4.350 0.005 0.000 0.192 296 E C 2.644 179.191 176.600 -0.088 0.000 0.988 296 E CA 0.721 57.096 56.400 -0.041 0.000 0.834 296 E CB -0.099 29.581 29.700 -0.035 0.000 0.772 296 E HN 0.513 nan 8.360 nan 0.000 0.479 297 I N 1.505 121.971 120.570 -0.172 0.000 2.069 297 I HA -0.326 3.847 4.170 0.005 0.000 0.237 297 I C 2.462 178.375 176.117 -0.339 0.000 1.053 297 I CA 1.361 62.453 61.300 -0.346 0.000 1.311 297 I CB -1.208 36.676 38.000 -0.193 0.000 1.030 297 I HN 0.190 nan 8.210 nan 0.000 0.398 298 L N -0.352 120.773 121.223 -0.164 0.000 2.362 298 L HA -0.095 4.248 4.340 0.005 0.000 0.219 298 L C 2.340 179.159 176.870 -0.086 0.000 1.134 298 L CA 0.767 55.539 54.840 -0.114 0.000 0.807 298 L CB -0.787 41.238 42.059 -0.057 0.000 0.927 298 L HN 0.273 nan 8.230 nan 0.000 0.447 299 E N 0.213 120.381 120.200 -0.053 0.000 2.153 299 E HA -0.180 4.173 4.350 0.005 0.000 0.194 299 E C 2.049 178.662 176.600 0.023 0.000 0.988 299 E CA 1.069 57.467 56.400 -0.005 0.000 0.811 299 E CB -0.098 29.585 29.700 -0.029 0.000 0.746 299 E HN 0.661 nan 8.360 nan 0.000 0.466 300 H N -0.520 118.449 119.070 -0.169 0.000 2.495 300 H HA 0.037 4.596 4.556 0.005 0.000 0.287 300 H C 1.964 177.333 175.328 0.069 0.000 1.033 300 H CA 0.534 56.515 56.048 -0.111 0.000 1.307 300 H CB 0.521 29.985 29.762 -0.497 0.000 1.401 300 H HN 0.146 nan 8.280 nan 0.000 0.555 301 I N 0.045 120.574 120.570 -0.069 0.000 3.716 301 I HA -0.089 4.084 4.170 0.005 0.000 0.229 301 I C 1.167 176.918 176.117 -0.611 0.000 1.022 301 I CA -0.070 61.115 61.300 -0.191 0.000 1.503 301 I CB 0.126 38.091 38.000 -0.058 0.000 1.378 301 I HN 0.094 nan 8.210 nan 0.000 0.449 302 C N 1.629 120.733 119.300 -0.326 0.000 2.648 302 C HA 0.050 4.513 4.460 0.005 0.000 0.415 302 C C 0.828 175.723 174.990 -0.159 0.000 1.366 302 C CA -0.158 58.703 59.018 -0.260 0.000 1.756 302 C CB -1.291 26.396 27.740 -0.089 0.000 2.549 302 C HN 0.462 nan 8.230 nan 0.000 0.597 303 Y N 2.734 123.110 120.300 0.128 0.000 2.625 303 Y HA 0.290 4.843 4.550 0.005 0.000 0.285 303 Y C 0.538 176.506 175.900 0.112 0.000 1.168 303 Y CA -0.364 57.825 58.100 0.148 0.000 1.250 303 Y CB 0.189 38.776 38.460 0.212 0.000 1.130 303 Y HN 0.800 nan 8.280 nan 0.000 0.526 304 D N -0.676 119.842 120.400 0.197 0.000 2.369 304 D HA 0.060 4.703 4.640 0.005 0.000 0.212 304 D C -0.064 176.301 176.300 0.109 0.000 1.326 304 D CA -0.259 53.829 54.000 0.148 0.000 0.933 304 D CB 0.905 41.785 40.800 0.133 0.000 1.516 304 D HN -0.073 nan 8.370 nan 0.000 0.557 305 V N 2.737 122.713 119.914 0.104 0.000 3.546 305 V HA 0.011 4.134 4.120 0.005 0.000 0.272 305 V C 1.646 177.801 176.094 0.102 0.000 1.228 305 V CA 0.458 62.809 62.300 0.084 0.000 1.184 305 V CB -0.972 30.886 31.823 0.058 0.000 0.886 305 V HN 0.525 nan 8.190 nan 0.000 0.508 306 N N 0.827 119.596 118.700 0.114 0.000 2.251 306 N HA -0.073 4.670 4.740 0.005 0.000 0.181 306 N C 1.069 176.698 175.510 0.199 0.000 1.019 306 N CA 0.812 53.952 53.050 0.150 0.000 0.862 306 N CB -0.175 38.389 38.487 0.128 0.000 0.992 306 N HN 0.438 nan 8.380 nan 0.000 0.429 307 D N 2.568 123.030 120.400 0.103 0.000 2.669 307 D HA -0.091 4.552 4.640 0.005 0.000 0.229 307 D C 1.525 177.793 176.300 -0.053 0.000 1.092 307 D CA -0.262 53.730 54.000 -0.014 0.000 1.175 307 D CB -0.460 40.316 40.800 -0.040 0.000 1.133 307 D HN 0.341 nan 8.370 nan 0.000 0.471 308 W N 2.077 123.389 121.300 0.019 0.000 2.321 308 W HA -0.265 4.398 4.660 0.005 0.000 0.306 308 W C 1.205 177.733 176.519 0.015 0.000 1.217 308 W CA 0.538 57.892 57.345 0.014 0.000 1.257 308 W CB -0.957 28.510 29.460 0.012 0.000 1.145 308 W HN 0.268 nan 8.180 nan 0.000 0.509 309 Q N 0.838 120.074 119.800 -0.940 0.000 2.029 309 Q HA -0.306 4.037 4.340 0.005 0.000 0.209 309 Q C 2.294 178.122 176.000 -0.288 0.000 0.999 309 Q CA 2.554 57.891 55.803 -0.777 0.000 0.857 309 Q CB -0.886 27.269 28.738 -0.972 0.000 0.926 309 Q HN 0.228 nan 8.270 nan 0.000 0.415 310 M N 1.141 120.589 119.600 -0.254 0.000 2.147 310 M HA -0.235 4.248 4.480 0.005 0.000 0.253 310 M C 1.898 178.165 176.300 -0.055 0.000 1.075 310 M CA 1.797 57.023 55.300 -0.123 0.000 1.085 310 M CB -0.406 32.134 32.600 -0.100 0.000 1.305 310 M HN 0.197 nan 8.290 nan 0.000 0.409 311 L N -1.085 120.127 121.223 -0.018 0.000 2.027 311 L HA -0.152 4.191 4.340 0.005 0.000 0.206 311 L C 2.458 179.361 176.870 0.055 0.000 1.074 311 L CA 1.560 56.420 54.840 0.034 0.000 0.745 311 L CB -0.998 41.106 42.059 0.076 0.000 0.898 311 L HN 0.298 nan 8.230 nan 0.000 0.433 312 E N 0.319 120.571 120.200 0.087 0.000 2.085 312 E HA -0.245 4.108 4.350 0.005 0.000 0.194 312 E C 2.279 178.918 176.600 0.064 0.000 0.994 312 E CA 1.432 57.900 56.400 0.113 0.000 0.801 312 E CB -0.111 29.707 29.700 0.196 0.000 0.743 312 E HN 0.233 nan 8.360 nan 0.000 0.453 313 M N -0.520 119.096 119.600 0.027 0.000 2.195 313 M HA -0.171 4.313 4.480 0.005 0.000 0.260 313 M C 1.876 178.197 176.300 0.034 0.000 1.066 313 M CA 1.203 56.515 55.300 0.021 0.000 1.089 313 M CB -0.270 32.328 32.600 -0.004 0.000 1.377 313 M HN 0.228 nan 8.290 nan 0.000 0.411 314 L N -1.022 120.223 121.223 0.036 0.000 2.477 314 L HA -0.063 4.280 4.340 0.005 0.000 0.220 314 L C 2.231 179.133 176.870 0.052 0.000 1.106 314 L CA 0.298 55.164 54.840 0.044 0.000 0.851 314 L CB -0.200 41.882 42.059 0.038 0.000 0.994 314 L HN 0.156 nan 8.230 nan 0.000 0.462 315 K N 0.409 120.842 120.400 0.055 0.000 2.107 315 K HA -0.235 4.088 4.320 0.005 0.000 0.211 315 K C -0.599 176.041 176.600 0.065 0.000 1.049 315 K CA 1.947 58.271 56.287 0.061 0.000 0.927 315 K CB -1.150 31.389 32.500 0.065 0.000 0.714 315 K HN 0.292 nan 8.250 nan 0.000 0.452 316 P HA -0.089 nan 4.420 nan 0.000 0.220 316 P C 0.982 178.309 177.300 0.044 0.000 1.148 316 P CA 0.986 64.116 63.100 0.050 0.000 0.803 316 P CB -0.000 31.724 31.700 0.040 0.000 0.782 317 C N -1.209 118.121 119.300 0.050 0.000 2.473 317 C HA -0.087 4.376 4.460 0.005 0.000 0.279 317 C C 2.652 177.681 174.990 0.065 0.000 1.250 317 C CA 0.515 59.563 59.018 0.050 0.000 1.713 317 C CB -1.567 26.214 27.740 0.068 0.000 2.066 317 C HN 0.095 nan 8.230 nan 0.000 0.474 318 V N 2.276 122.241 119.914 0.085 0.000 2.311 318 V HA -0.307 3.816 4.120 0.005 0.000 0.256 318 V C 2.568 178.767 176.094 0.175 0.000 1.077 318 V CA 2.385 64.757 62.300 0.118 0.000 1.067 318 V CB -0.877 31.009 31.823 0.105 0.000 0.659 318 V HN 0.610 nan 8.190 nan 0.000 0.451 319 E N -0.322 119.968 120.200 0.151 0.000 2.153 319 E HA -0.242 4.111 4.350 0.005 0.000 0.194 319 E C 1.840 178.403 176.600 -0.061 0.000 0.988 319 E CA 1.314 57.802 56.400 0.148 0.000 0.811 319 E CB -0.412 29.351 29.700 0.106 0.000 0.746 319 E HN 0.599 nan 8.360 nan 0.000 0.466 320 D N 0.108 120.483 120.400 -0.043 0.000 2.363 320 D HA -0.013 4.630 4.640 0.005 0.000 0.220 320 D C 1.657 177.893 176.300 -0.107 0.000 0.994 320 D CA 0.715 54.657 54.000 -0.097 0.000 0.890 320 D CB 0.059 40.826 40.800 -0.055 0.000 0.906 320 D HN 0.236 nan 8.370 nan 0.000 0.530 321 G N 0.019 108.791 108.800 -0.046 0.000 2.556 321 G HA2 -0.091 3.872 3.960 0.005 0.000 0.209 321 G HA3 -0.091 3.872 3.960 0.005 0.000 0.209 321 G C 0.985 175.886 174.900 0.001 0.000 1.159 321 G CA -0.056 45.044 45.100 -0.000 0.000 0.828 321 G HN 0.336 nan 8.290 nan 0.000 0.553 322 F N 1.964 121.898 119.950 -0.027 0.000 2.697 322 F HA 0.353 4.884 4.527 0.005 0.000 0.298 322 F C 0.869 176.644 175.800 -0.042 0.000 1.308 322 F CA -0.463 57.519 58.000 -0.029 0.000 1.447 322 F CB -0.337 38.650 39.000 -0.021 0.000 1.082 322 F HN -0.072 nan 8.300 nan 0.000 0.517 323 V N 0.740 120.518 119.914 -0.227 0.000 3.354 323 V HA 0.149 4.272 4.120 0.005 0.000 0.258 323 V C 0.647 176.676 176.094 -0.107 0.000 1.159 323 V CA 0.455 62.632 62.300 -0.205 0.000 1.125 323 V CB -0.424 31.235 31.823 -0.273 0.000 0.774 323 V HN 0.391 nan 8.190 nan 0.000 0.464 324 I N 0.234 120.771 120.570 -0.055 0.000 2.529 324 I HA 0.385 4.558 4.170 0.005 0.000 0.284 324 I C -0.339 175.793 176.117 0.026 0.000 1.088 324 I CA -0.014 61.272 61.300 -0.023 0.000 1.062 324 I CB 2.127 40.101 38.000 -0.043 0.000 1.218 324 I HN -0.082 nan 8.210 nan 0.000 0.442 325 Q N 4.862 124.682 119.800 0.033 0.000 2.106 325 Q HA 0.251 4.594 4.340 0.005 0.000 0.273 325 Q C -1.503 174.512 176.000 0.026 0.000 0.853 325 Q CA -0.235 55.594 55.803 0.043 0.000 1.118 325 Q CB 0.497 29.271 28.738 0.060 0.000 1.240 325 Q HN 0.700 nan 8.270 nan 0.000 0.445 326 D N -2.592 117.821 120.400 0.021 0.000 2.654 326 D HA 0.206 4.849 4.640 0.005 0.000 0.231 326 D C 0.260 176.569 176.300 0.015 0.000 1.239 326 D CA -0.685 53.324 54.000 0.015 0.000 0.790 326 D CB 0.750 41.557 40.800 0.012 0.000 1.480 326 D HN -0.118 nan 8.370 nan 0.000 0.442 327 R N 0.337 120.844 120.500 0.011 0.000 2.179 327 R HA -0.240 4.103 4.340 0.005 0.000 0.238 327 R C 1.369 177.677 176.300 0.013 0.000 1.119 327 R CA 2.253 58.359 56.100 0.010 0.000 0.915 327 R CB -0.466 29.838 30.300 0.007 0.000 0.870 327 R HN 0.568 nan 8.270 nan 0.000 0.432 328 E N -0.737 119.472 120.200 0.015 0.000 2.110 328 E HA -0.114 4.239 4.350 0.005 0.000 0.193 328 E C 1.857 178.473 176.600 0.026 0.000 0.988 328 E CA 1.929 58.340 56.400 0.019 0.000 0.804 328 E CB -0.249 29.462 29.700 0.018 0.000 0.745 328 E HN 0.587 nan 8.360 nan 0.000 0.458 329 T N -2.369 112.200 114.554 0.026 0.000 3.160 329 T HA 0.243 4.596 4.350 0.005 0.000 0.257 329 T C 1.734 176.464 174.700 0.049 0.000 1.147 329 T CA 0.548 62.667 62.100 0.032 0.000 1.064 329 T CB 0.192 69.071 68.868 0.017 0.000 0.949 329 T HN 0.126 nan 8.240 nan 0.000 0.526 330 A N 1.800 124.647 122.820 0.045 0.000 1.903 330 A HA 0.280 4.604 4.320 0.005 0.000 0.213 330 A C 2.252 179.876 177.584 0.067 0.000 1.185 330 A CA 0.490 52.563 52.037 0.060 0.000 0.628 330 A CB -0.472 18.549 19.000 0.034 0.000 0.830 330 A HN 0.429 nan 8.150 nan 0.000 0.446 331 L N 0.575 121.819 121.223 0.035 0.000 2.141 331 L HA -0.166 4.177 4.340 0.005 0.000 0.209 331 L C 2.209 179.113 176.870 0.057 0.000 1.094 331 L CA 2.290 57.143 54.840 0.022 0.000 0.763 331 L CB -1.598 40.468 42.059 0.011 0.000 0.908 331 L HN 0.557 nan 8.230 nan 0.000 0.437 332 D N 0.202 120.650 120.400 0.080 0.000 2.133 332 D HA -0.325 4.319 4.640 0.005 0.000 0.192 332 D C 2.095 178.497 176.300 0.169 0.000 1.001 332 D CA 1.312 55.373 54.000 0.102 0.000 0.844 332 D CB -0.217 40.632 40.800 0.082 0.000 0.944 332 D HN 0.196 nan 8.370 nan 0.000 0.447 333 F N 1.073 121.021 119.950 -0.003 0.000 2.269 333 F HA 0.075 4.605 4.527 0.005 0.000 0.301 333 F C 0.577 176.378 175.800 0.002 0.000 1.082 333 F CA 0.262 58.259 58.000 -0.005 0.000 1.360 333 F CB -0.239 38.751 39.000 -0.018 0.000 1.041 333 F HN -0.072 nan 8.300 nan 0.000 0.512 334 I N 1.887 122.432 120.570 -0.042 0.000 2.372 334 I HA 0.385 4.558 4.170 0.005 0.000 0.298 334 I C 0.854 176.954 176.117 -0.027 0.000 1.137 334 I CA 0.603 61.821 61.300 -0.137 0.000 1.314 334 I CB -1.372 36.557 38.000 -0.117 0.000 1.444 334 I HN 0.259 nan 8.210 nan 0.000 0.541 346 E N 1.089 121.311 120.200 0.037 0.000 3.146 346 E HA -0.362 3.991 4.350 0.005 0.000 0.277 346 E C -0.605 176.017 176.600 0.036 0.000 1.003 346 E CA 2.280 58.701 56.400 0.035 0.000 0.861 346 E CB -1.062 28.654 29.700 0.027 0.000 1.436 346 E HN 0.618 nan 8.360 nan 0.000 0.455 347 K N 0.660 121.083 120.400 0.039 0.000 2.344 347 K HA 0.179 4.502 4.320 0.005 0.000 0.200 347 K C 2.034 178.677 176.600 0.072 0.000 1.132 347 K CA 0.750 57.059 56.287 0.037 0.000 0.935 347 K CB -0.201 32.304 32.500 0.008 0.000 1.089 347 K HN 0.348 nan 8.250 nan 0.000 0.496 348 R N 0.764 121.313 120.500 0.082 0.000 2.240 348 R HA 0.202 4.545 4.340 0.005 0.000 0.203 348 R C 1.487 177.867 176.300 0.133 0.000 1.011 348 R CA 0.687 56.872 56.100 0.141 0.000 1.007 348 R CB -0.496 29.873 30.300 0.115 0.000 0.911 348 R HN -0.003 nan 8.270 nan 0.000 0.468 349 I N 1.610 122.234 120.570 0.089 0.000 2.315 349 I HA -0.192 3.981 4.170 0.005 0.000 0.248 349 I C 2.495 178.657 176.117 0.074 0.000 1.117 349 I CA 1.252 62.592 61.300 0.067 0.000 1.404 349 I CB -0.190 37.839 38.000 0.049 0.000 1.071 349 I HN 0.108 nan 8.210 nan 0.000 0.419 350 Q N -0.485 119.370 119.800 0.091 0.000 1.967 350 Q HA -0.243 4.100 4.340 0.005 0.000 0.202 350 Q C 2.232 178.325 176.000 0.154 0.000 0.985 350 Q CA 1.745 57.608 55.803 0.100 0.000 0.839 350 Q CB -1.008 27.784 28.738 0.089 0.000 0.906 350 Q HN 0.455 nan 8.270 nan 0.000 0.423 351 Y N 1.028 121.348 120.300 0.033 0.000 2.062 351 Y HA -0.369 4.184 4.550 0.005 0.000 0.273 351 Y C 2.174 178.108 175.900 0.058 0.000 1.206 351 Y CA 2.068 60.197 58.100 0.048 0.000 1.125 351 Y CB -0.866 37.613 38.460 0.031 0.000 0.951 351 Y HN 0.156 nan 8.280 nan 0.000 0.501 352 A N -0.428 122.406 122.820 0.023 0.000 1.898 352 A HA -0.193 4.130 4.320 0.005 0.000 0.216 352 A C 2.327 179.874 177.584 -0.061 0.000 1.181 352 A CA 1.754 53.736 52.037 -0.091 0.000 0.620 352 A CB -0.709 18.264 19.000 -0.046 0.000 0.819 352 A HN 0.492 nan 8.150 nan 0.000 0.442 353 K N -0.570 119.827 120.400 -0.005 0.000 2.442 353 K HA -0.129 4.194 4.320 0.005 0.000 0.198 353 K C 0.768 177.372 176.600 0.007 0.000 1.042 353 K CA 1.144 57.429 56.287 -0.003 0.000 0.958 353 K CB -0.062 32.449 32.500 0.018 0.000 0.766 353 K HN 0.416 nan 8.250 nan 0.000 0.474 354 D N 0.724 121.138 120.400 0.023 0.000 2.091 354 D HA -0.112 4.531 4.640 0.005 0.000 0.199 354 D C 1.780 178.081 176.300 0.002 0.000 0.980 354 D CA 1.110 55.133 54.000 0.038 0.000 0.831 354 D CB -0.116 40.747 40.800 0.105 0.000 0.987 354 D HN 0.211 nan 8.370 nan 0.000 0.460 355 I N 0.838 121.384 120.570 -0.040 0.000 2.361 355 I HA -0.174 3.999 4.170 0.005 0.000 0.251 355 I C 1.944 178.043 176.117 -0.030 0.000 1.133 355 I CA 0.421 61.682 61.300 -0.066 0.000 1.413 355 I CB -0.031 37.884 38.000 -0.141 0.000 1.073 355 I HN 0.020 nan 8.210 nan 0.000 0.424 356 L N 0.242 121.423 121.223 -0.070 0.000 2.551 356 L HA -0.112 4.231 4.340 0.005 0.000 0.228 356 L C 1.871 178.755 176.870 0.024 0.000 1.153 356 L CA 1.625 56.399 54.840 -0.111 0.000 0.851 356 L CB -0.679 41.268 42.059 -0.188 0.000 0.959 356 L HN 0.465 nan 8.230 nan 0.000 0.451 357 Q N -1.676 118.143 119.800 0.032 0.000 2.534 357 Q HA 0.083 4.426 4.340 0.005 0.000 0.252 357 Q C 1.451 177.450 176.000 -0.001 0.000 0.850 357 Q CA -0.051 55.774 55.803 0.036 0.000 0.974 357 Q CB 0.697 29.446 28.738 0.019 0.000 1.205 357 Q HN 0.140 nan 8.270 nan 0.000 0.593 358 K N 1.020 121.406 120.400 -0.024 0.000 2.374 358 K HA 0.041 4.365 4.320 0.005 0.000 0.196 358 K C 0.222 176.749 176.600 -0.121 0.000 1.023 358 K CA 0.604 56.838 56.287 -0.088 0.000 1.103 358 K CB 0.741 33.205 32.500 -0.060 0.000 0.848 358 K HN 0.347 nan 8.250 nan 0.000 0.528 359 E N -0.973 119.197 120.200 -0.050 0.000 2.594 359 E HA 0.015 4.368 4.350 0.005 0.000 0.173 359 E C -0.467 176.159 176.600 0.044 0.000 0.905 359 E CA -0.364 56.022 56.400 -0.025 0.000 1.344 359 E CB -0.767 28.898 29.700 -0.058 0.000 1.156 359 E HN 0.014 nan 8.360 nan 0.000 0.578 360 F N 2.656 122.560 119.950 -0.076 0.000 2.411 360 F HA 0.374 4.904 4.527 0.005 0.000 0.355 360 F C 0.554 176.322 175.800 -0.053 0.000 1.117 360 F CA -0.761 57.208 58.000 -0.053 0.000 1.139 360 F CB 0.674 39.639 39.000 -0.058 0.000 1.120 360 F HN 0.007 nan 8.300 nan 0.000 0.493 361 L N 7.613 128.459 121.223 -0.628 0.000 3.995 361 L HA -0.236 4.107 4.340 0.005 0.000 0.513 361 L C -1.855 174.843 176.870 -0.287 0.000 1.147 361 L CA -0.104 54.428 54.840 -0.513 0.000 0.703 361 L CB -0.769 40.767 42.059 -0.872 0.000 1.306 361 L HN 0.595 nan 8.230 nan 0.000 0.779 362 P HA -0.134 nan 4.420 nan 0.000 0.231 362 P C 0.416 177.695 177.300 -0.034 0.000 1.158 362 P CA 1.159 64.221 63.100 -0.064 0.000 0.763 362 P CB -0.154 31.523 31.700 -0.038 0.000 0.805 363 H N -1.394 117.573 119.070 -0.173 0.000 2.548 363 H HA 0.172 4.731 4.556 0.005 0.000 0.366 363 H C 1.553 176.754 175.328 -0.212 0.000 1.433 363 H CA -0.469 55.474 56.048 -0.175 0.000 1.443 363 H CB 0.082 29.745 29.762 -0.165 0.000 1.594 363 H HN -0.223 nan 8.280 nan 0.000 0.608 364 I N -2.329 118.102 120.570 -0.233 0.000 4.538 364 I HA -0.390 3.783 4.170 0.005 0.000 0.053 364 I C 0.791 176.724 176.117 -0.307 0.000 0.613 364 I CA 2.248 63.380 61.300 -0.280 0.000 0.944 364 I CB -1.839 35.977 38.000 -0.305 0.000 0.852 364 I HN 0.969 nan 8.210 nan 0.000 0.162 365 T N -0.353 114.035 114.554 -0.277 0.000 2.686 365 T HA 0.210 4.563 4.350 0.005 0.000 0.293 365 T C -1.681 172.899 174.700 -0.200 0.000 1.875 365 T CA -0.319 61.608 62.100 -0.290 0.000 0.984 365 T CB 0.776 69.331 68.868 -0.522 0.000 1.997 365 T HN 0.324 nan 8.240 nan 0.000 0.511 366 Q N 1.959 121.653 119.800 -0.176 0.000 2.965 366 Q HA 0.561 4.904 4.340 0.005 0.000 0.288 366 Q C -0.389 175.554 176.000 -0.095 0.000 0.974 366 Q CA -0.209 55.517 55.803 -0.128 0.000 0.849 366 Q CB 0.818 29.460 28.738 -0.160 0.000 1.280 366 Q HN 0.465 nan 8.270 nan 0.000 0.441 367 L N -1.236 119.948 121.223 -0.066 0.000 2.931 367 L HA 0.450 4.793 4.340 0.005 0.000 0.237 367 L C 1.208 178.096 176.870 0.030 0.000 1.986 367 L CA -0.610 54.217 54.840 -0.023 0.000 2.186 367 L CB 0.655 42.694 42.059 -0.034 0.000 2.326 367 L HN 0.287 nan 8.230 nan 0.000 0.575 368 E N 0.050 120.290 120.200 0.068 0.000 2.611 368 E HA 0.112 4.465 4.350 0.005 0.000 0.284 368 E C 0.437 177.117 176.600 0.132 0.000 0.800 368 E CA 0.152 56.601 56.400 0.082 0.000 1.264 368 E CB 0.002 29.744 29.700 0.070 0.000 1.735 368 E HN 0.563 nan 8.360 nan 0.000 0.526 369 G N 0.620 109.512 108.800 0.153 0.000 2.428 369 G HA2 0.306 4.269 3.960 0.005 0.000 0.293 369 G HA3 0.306 4.269 3.960 0.005 0.000 0.293 369 G C -0.955 174.116 174.900 0.285 0.000 1.059 369 G CA 0.081 45.271 45.100 0.149 0.000 1.194 369 G HN 0.257 nan 8.290 nan 0.000 0.435 370 F N 1.326 121.294 119.950 0.030 0.000 2.934 370 F HA 0.218 4.748 4.527 0.005 0.000 0.427 370 F C 0.618 176.456 175.800 0.064 0.000 1.181 370 F CA -0.471 57.552 58.000 0.038 0.000 1.156 370 F CB 1.109 40.120 39.000 0.019 0.000 2.593 370 F HN 0.438 nan 8.300 nan 0.000 0.538 371 E N -0.731 119.551 120.200 0.137 0.000 2.431 371 E HA 0.053 4.406 4.350 0.005 0.000 0.200 371 E C 1.948 178.636 176.600 0.145 0.000 0.995 371 E CA 0.892 57.370 56.400 0.131 0.000 0.915 371 E CB 0.434 30.178 29.700 0.074 0.000 0.930 371 E HN 0.325 nan 8.360 nan 0.000 0.496 372 S N -0.440 115.352 115.700 0.153 0.000 2.503 372 S HA 0.133 4.606 4.470 0.005 0.000 0.217 372 S C 1.798 176.653 174.600 0.425 0.000 0.999 372 S CA -0.217 58.140 58.200 0.262 0.000 0.914 372 S CB 0.190 63.552 63.200 0.270 0.000 0.782 372 S HN 0.005 nan 8.310 nan 0.000 0.520 373 R N 1.878 122.553 120.500 0.292 0.000 2.066 373 R HA 0.140 4.483 4.340 0.005 0.000 0.232 373 R C 2.127 178.665 176.300 0.396 0.000 1.131 373 R CA 1.160 57.442 56.100 0.303 0.000 0.955 373 R CB -0.382 30.104 30.300 0.310 0.000 0.851 373 R HN 0.461 nan 8.270 nan 0.000 0.432 374 K N 0.196 120.810 120.400 0.358 0.000 2.097 374 K HA -0.011 4.312 4.320 0.005 0.000 0.205 374 K C 2.118 179.039 176.600 0.535 0.000 1.050 374 K CA 1.089 57.623 56.287 0.411 0.000 0.938 374 K CB -0.032 32.722 32.500 0.423 0.000 0.718 374 K HN 0.092 nan 8.250 nan 0.000 0.442 375 A N 1.251 124.341 122.820 0.450 0.000 1.832 375 A HA -0.140 4.183 4.320 0.005 0.000 0.214 375 A C 1.949 179.977 177.584 0.741 0.000 1.200 375 A CA 1.158 53.496 52.037 0.503 0.000 0.610 375 A CB -1.017 18.128 19.000 0.242 0.000 0.842 375 A HN 0.198 nan 8.150 nan 0.000 0.444 376 F N -1.416 118.954 119.950 0.701 0.000 2.082 376 F HA -0.308 4.222 4.527 0.005 0.000 0.298 376 F C 2.150 178.528 175.800 0.964 0.000 1.091 376 F CA 2.290 60.762 58.000 0.787 0.000 1.230 376 F CB -0.437 38.767 39.000 0.339 0.000 0.983 376 F HN 0.342 nan 8.300 nan 0.000 0.485 377 F N 0.016 120.516 119.950 0.917 0.000 2.075 377 F HA -0.224 4.306 4.527 0.005 0.000 0.297 377 F C 2.261 178.418 175.800 0.596 0.000 1.113 377 F CA 1.433 59.905 58.000 0.786 0.000 1.218 377 F CB -0.624 38.685 39.000 0.514 0.000 0.984 377 F HN -0.095 nan 8.300 nan 0.000 0.472 378 L N 0.330 121.985 121.223 0.719 0.000 2.189 378 L HA -0.108 4.235 4.340 0.005 0.000 0.214 378 L C 2.116 179.253 176.870 0.445 0.000 1.097 378 L CA 2.180 57.296 54.840 0.460 0.000 0.764 378 L CB -1.201 41.068 42.059 0.351 0.000 0.900 378 L HN 0.179 nan 8.230 nan 0.000 0.436 379 G N -2.245 106.978 108.800 0.705 0.000 2.712 379 G HA2 -0.253 3.710 3.960 0.005 0.000 0.212 379 G HA3 -0.253 3.710 3.960 0.005 0.000 0.212 379 G C 1.293 176.498 174.900 0.509 0.000 1.142 379 G CA 0.560 46.102 45.100 0.736 0.000 0.789 379 G HN 0.579 nan 8.290 nan 0.000 0.535 380 Y N 0.378 120.889 120.300 0.352 0.000 2.503 380 Y HA 0.332 4.885 4.550 0.005 0.000 0.277 380 Y C 2.538 178.416 175.900 -0.037 0.000 1.102 380 Y CA 0.356 58.531 58.100 0.126 0.000 1.261 380 Y CB 0.047 38.442 38.460 -0.108 0.000 1.096 380 Y HN 0.088 nan 8.280 nan 0.000 0.546 381 M N -0.157 119.330 119.600 -0.190 0.000 2.080 381 M HA -0.221 4.262 4.480 0.005 0.000 0.260 381 M C 1.697 177.910 176.300 -0.145 0.000 1.068 381 M CA 1.570 56.734 55.300 -0.225 0.000 1.109 381 M CB -0.334 32.260 32.600 -0.011 0.000 1.342 381 M HN 0.233 nan 8.290 nan 0.000 0.405 382 I N 0.014 120.585 120.570 0.000 0.000 2.614 382 I HA -0.231 3.942 4.170 0.005 0.000 0.258 382 I C 1.866 177.958 176.117 -0.042 0.000 1.189 382 I CA 1.378 62.692 61.300 0.023 0.000 1.462 382 I CB -1.618 36.459 38.000 0.128 0.000 1.092 382 I HN 0.433 nan 8.210 nan 0.000 0.442 383 N N 0.863 119.506 118.700 -0.094 0.000 2.207 383 N HA -0.108 4.636 4.740 0.005 0.000 0.182 383 N C 1.960 177.370 175.510 -0.168 0.000 1.020 383 N CA 0.754 53.733 53.050 -0.118 0.000 0.858 383 N CB 0.190 38.638 38.487 -0.066 0.000 0.991 383 N HN 0.027 nan 8.380 nan 0.000 0.427 384 R N 0.472 120.783 120.500 -0.316 0.000 2.115 384 R HA -0.039 4.304 4.340 0.005 0.000 0.230 384 R C 2.055 178.229 176.300 -0.209 0.000 1.111 384 R CA 0.414 56.331 56.100 -0.305 0.000 0.976 384 R CB -1.289 28.734 30.300 -0.462 0.000 0.870 384 R HN 0.337 nan 8.270 nan 0.000 0.445 385 L N 0.755 121.876 121.223 -0.170 0.000 2.079 385 L HA -0.108 4.235 4.340 0.005 0.000 0.210 385 L C 1.982 178.815 176.870 -0.061 0.000 1.081 385 L CA 1.590 56.372 54.840 -0.097 0.000 0.752 385 L CB -0.167 41.872 42.059 -0.032 0.000 0.896 385 L HN 0.069 nan 8.230 nan 0.000 0.433 386 L N -2.055 119.135 121.223 -0.056 0.000 2.354 386 L HA -0.049 4.294 4.340 0.005 0.000 0.212 386 L C 2.076 178.909 176.870 -0.061 0.000 1.091 386 L CA -0.215 54.606 54.840 -0.031 0.000 0.828 386 L CB -0.356 41.688 42.059 -0.025 0.000 0.973 386 L HN 0.187 nan 8.230 nan 0.000 0.461 387 L N -0.229 120.943 121.223 -0.084 0.000 2.351 387 L HA -0.269 4.074 4.340 0.005 0.000 0.220 387 L C 2.436 179.247 176.870 -0.098 0.000 1.127 387 L CA 1.497 56.288 54.840 -0.082 0.000 0.786 387 L CB -1.016 40.994 42.059 -0.083 0.000 0.914 387 L HN 0.477 nan 8.230 nan 0.000 0.443 388 C N -1.975 117.242 119.300 -0.138 0.000 2.469 388 C HA 0.268 4.731 4.460 0.005 0.000 0.309 388 C C 2.924 177.788 174.990 -0.209 0.000 1.385 388 C CA 0.315 59.204 59.018 -0.215 0.000 1.890 388 C CB -0.826 26.713 27.740 -0.334 0.000 2.245 388 C HN 0.485 nan 8.230 nan 0.000 0.530 389 A N 0.753 123.506 122.820 -0.112 0.000 2.032 389 A HA -0.036 4.287 4.320 0.005 0.000 0.221 389 A C 1.911 179.549 177.584 0.090 0.000 1.165 389 A CA 1.814 53.965 52.037 0.190 0.000 0.645 389 A CB -0.661 18.506 19.000 0.277 0.000 0.807 389 A HN 0.716 nan 8.150 nan 0.000 0.453 390 L N -1.389 119.835 121.223 0.001 0.000 2.607 390 L HA 0.115 4.458 4.340 0.005 0.000 0.228 390 L C 0.018 176.870 176.870 -0.029 0.000 1.123 390 L CA 0.065 54.889 54.840 -0.026 0.000 0.890 390 L CB 0.040 42.060 42.059 -0.066 0.000 1.103 390 L HN 0.205 nan 8.230 nan 0.000 0.468 391 D N 0.914 121.296 120.400 -0.029 0.000 2.911 391 D HA -0.222 4.421 4.640 0.005 0.000 0.227 391 D C 1.266 177.547 176.300 -0.030 0.000 1.164 391 D CA 1.021 55.005 54.000 -0.027 0.000 0.782 391 D CB -0.314 40.484 40.800 -0.003 0.000 1.094 391 D HN 0.557 nan 8.370 nan 0.000 0.425 392 R N -0.671 119.804 120.500 -0.041 0.000 2.334 392 R HA 0.276 4.619 4.340 0.005 0.000 0.212 392 R C 0.547 176.827 176.300 -0.033 0.000 0.897 392 R CA -0.097 55.983 56.100 -0.034 0.000 1.056 392 R CB 0.747 31.024 30.300 -0.038 0.000 1.046 392 R HN -0.065 nan 8.270 nan 0.000 0.513 393 K N 1.225 121.598 120.400 -0.045 0.000 2.535 393 K HA 0.198 4.521 4.320 0.005 0.000 0.251 393 K C -1.435 175.130 176.600 -0.058 0.000 0.942 393 K CA -0.609 55.651 56.287 -0.046 0.000 0.798 393 K CB 1.778 34.247 32.500 -0.051 0.000 1.267 393 K HN -0.054 nan 8.250 nan 0.000 0.434 394 D N 1.753 122.129 120.400 -0.041 0.000 2.341 394 D HA -0.093 4.550 4.640 0.005 0.000 0.235 394 D C -0.037 176.233 176.300 -0.050 0.000 1.265 394 D CA 0.390 54.370 54.000 -0.034 0.000 0.888 394 D CB 0.711 41.505 40.800 -0.010 0.000 1.192 394 D HN 0.464 nan 8.370 nan 0.000 0.462 395 Q N 0.411 120.193 119.800 -0.029 0.000 2.396 395 Q HA 0.014 4.357 4.340 0.005 0.000 0.221 395 Q C -0.722 175.297 176.000 0.031 0.000 1.025 395 Q CA -0.276 55.519 55.803 -0.013 0.000 0.946 395 Q CB 0.735 29.493 28.738 0.032 0.000 1.224 395 Q HN 0.317 nan 8.270 nan 0.000 0.539 396 D N 2.375 122.818 120.400 0.072 0.000 2.316 396 D HA 0.038 4.681 4.640 0.005 0.000 0.245 396 D C -0.803 175.652 176.300 0.258 0.000 1.171 396 D CA 0.001 54.067 54.000 0.110 0.000 0.856 396 D CB 0.727 41.509 40.800 -0.029 0.000 1.090 396 D HN 0.435 nan 8.370 nan 0.000 0.476 397 D N 2.163 122.664 120.400 0.168 0.000 2.450 397 D HA -0.029 4.614 4.640 0.005 0.000 0.247 397 D C 1.045 177.445 176.300 0.167 0.000 1.162 397 D CA 0.083 54.186 54.000 0.171 0.000 0.879 397 D CB 0.753 41.667 40.800 0.191 0.000 1.163 397 D HN 0.203 nan 8.370 nan 0.000 0.472 398 R N 1.601 122.173 120.500 0.120 0.000 2.236 398 R HA 0.021 4.364 4.340 0.005 0.000 0.208 398 R C 0.384 176.711 176.300 0.044 0.000 1.036 398 R CA 0.739 56.883 56.100 0.073 0.000 1.001 398 R CB 0.412 30.690 30.300 -0.038 0.000 0.896 398 R HN 0.376 nan 8.270 nan 0.000 0.464 399 D N -0.840 119.569 120.400 0.015 0.000 2.593 399 D HA -0.002 4.641 4.640 0.005 0.000 0.241 399 D C -0.445 175.509 176.300 -0.576 0.000 1.257 399 D CA -0.088 53.837 54.000 -0.126 0.000 0.828 399 D CB 0.061 40.895 40.800 0.058 0.000 1.049 399 D HN 0.179 nan 8.370 nan 0.000 0.490 400 H N 0.580 119.406 119.070 -0.406 0.000 2.848 400 H HA -0.026 4.533 4.556 0.005 0.000 0.317 400 H C 0.176 175.392 175.328 -0.186 0.000 1.046 400 H CA 0.046 55.879 56.048 -0.359 0.000 1.470 400 H CB 0.663 30.327 29.762 -0.163 0.000 1.483 400 H HN -0.012 nan 8.280 nan 0.000 0.548 401 F N 3.308 123.032 119.950 -0.377 0.000 2.615 401 F HA 0.137 4.667 4.527 0.005 0.000 0.297 401 F C 1.982 177.753 175.800 -0.049 0.000 1.124 401 F CA 0.778 58.647 58.000 -0.219 0.000 1.451 401 F CB 0.294 39.112 39.000 -0.303 0.000 1.103 401 F HN 0.659 nan 8.300 nan 0.000 0.569 402 G N 0.172 109.034 108.800 0.104 0.000 3.562 402 G HA2 0.049 4.012 3.960 0.005 0.000 0.279 402 G HA3 0.049 4.012 3.960 0.005 0.000 0.279 402 G C 0.894 175.712 174.900 -0.137 0.000 1.314 402 G CA -0.113 44.970 45.100 -0.028 0.000 1.189 402 G HN 0.316 nan 8.290 nan 0.000 0.562 403 K N 0.006 120.324 120.400 -0.137 0.000 2.625 403 K HA 0.124 4.447 4.320 0.005 0.000 0.190 403 K C 0.176 176.695 176.600 -0.136 0.000 1.174 403 K CA -0.242 55.951 56.287 -0.156 0.000 1.103 403 K CB 0.366 32.804 32.500 -0.102 0.000 0.900 403 K HN 0.324 nan 8.250 nan 0.000 0.540 404 K N 0.383 120.653 120.400 -0.217 0.000 2.400 404 K HA 0.516 4.839 4.320 0.005 0.000 0.246 404 K C -0.760 175.680 176.600 -0.267 0.000 0.995 404 K CA -1.061 55.106 56.287 -0.200 0.000 0.840 404 K CB 1.784 34.192 32.500 -0.154 0.000 1.293 404 K HN -0.191 nan 8.250 nan 0.000 0.445 405 R N 1.189 121.590 120.500 -0.164 0.000 2.711 405 R HA 0.487 4.830 4.340 0.005 0.000 0.284 405 R C -0.263 175.979 176.300 -0.096 0.000 0.968 405 R CA -0.939 55.080 56.100 -0.135 0.000 0.924 405 R CB 1.196 31.459 30.300 -0.061 0.000 1.162 405 R HN 0.604 nan 8.270 nan 0.000 0.465 406 L N 1.990 123.168 121.223 -0.075 0.000 2.312 406 L HA 0.291 4.634 4.340 0.005 0.000 0.281 406 L C -0.169 176.706 176.870 0.008 0.000 1.070 406 L CA -0.430 54.400 54.840 -0.017 0.000 0.805 406 L CB 1.008 43.073 42.059 0.010 0.000 1.174 406 L HN 0.295 nan 8.230 nan 0.000 0.434 407 D N 3.867 124.276 120.400 0.016 0.000 2.427 407 D HA 0.365 5.009 4.640 0.005 0.000 0.226 407 D C -0.122 176.195 176.300 0.028 0.000 1.076 407 D CA -0.271 53.749 54.000 0.033 0.000 0.849 407 D CB 1.774 42.599 40.800 0.042 0.000 1.052 407 D HN 0.131 nan 8.370 nan 0.000 0.515 408 L N 1.165 122.418 121.223 0.049 0.000 2.472 408 L HA 0.392 4.735 4.340 0.005 0.000 0.256 408 L C 1.995 178.911 176.870 0.076 0.000 1.111 408 L CA -0.427 54.443 54.840 0.051 0.000 0.800 408 L CB 0.604 42.706 42.059 0.071 0.000 1.286 408 L HN 0.369 nan 8.230 nan 0.000 0.479 409 A N 1.143 124.023 122.820 0.100 0.000 1.894 409 A HA -0.244 4.079 4.320 0.005 0.000 0.220 409 A C 2.000 179.720 177.584 0.228 0.000 1.237 409 A CA 2.518 54.666 52.037 0.186 0.000 0.660 409 A CB -1.438 17.726 19.000 0.273 0.000 0.835 409 A HN 0.940 nan 8.150 nan 0.000 0.461 410 G N -0.357 108.589 108.800 0.244 0.000 2.552 410 G HA2 -0.149 3.814 3.960 0.005 0.000 0.216 410 G HA3 -0.149 3.814 3.960 0.005 0.000 0.216 410 G C -0.396 174.449 174.900 -0.091 0.000 1.240 410 G CA 1.317 46.486 45.100 0.115 0.000 0.796 410 G HN 0.526 nan 8.290 nan 0.000 0.568 411 P HA 0.060 nan 4.420 nan 0.000 0.231 411 P C 1.718 179.078 177.300 0.099 0.000 1.158 411 P CA 0.452 63.596 63.100 0.073 0.000 0.763 411 P CB 0.002 31.761 31.700 0.099 0.000 0.805 412 L N -1.547 119.767 121.223 0.153 0.000 2.049 412 L HA -0.084 4.259 4.340 0.005 0.000 0.203 412 L C 2.275 179.384 176.870 0.400 0.000 1.074 412 L CA 1.105 56.183 54.840 0.395 0.000 0.749 412 L CB -0.904 41.375 42.059 0.367 0.000 0.907 412 L HN -0.081 nan 8.230 nan 0.000 0.439 413 L N -0.218 121.116 121.223 0.185 0.000 2.129 413 L HA -0.248 4.095 4.340 0.005 0.000 0.212 413 L C 2.820 179.536 176.870 -0.256 0.000 1.087 413 L CA 1.112 55.858 54.840 -0.156 0.000 0.757 413 L CB -0.738 41.049 42.059 -0.453 0.000 0.896 413 L HN 0.274 nan 8.230 nan 0.000 0.434 414 A N -0.404 122.266 122.820 -0.251 0.000 1.883 414 A HA -0.303 4.020 4.320 0.005 0.000 0.217 414 A C 2.221 179.859 177.584 0.090 0.000 1.186 414 A CA 1.915 53.973 52.037 0.034 0.000 0.624 414 A CB -0.532 18.542 19.000 0.124 0.000 0.822 414 A HN 0.459 nan 8.150 nan 0.000 0.444 415 Q N -0.604 119.216 119.800 0.033 0.000 2.045 415 Q HA -0.172 4.171 4.340 0.005 0.000 0.206 415 Q C 2.154 178.108 176.000 -0.076 0.000 0.991 415 Q CA 1.793 57.596 55.803 -0.000 0.000 0.851 415 Q CB -0.369 28.372 28.738 0.005 0.000 0.911 415 Q HN 0.675 nan 8.270 nan 0.000 0.418 416 L N -0.668 120.427 121.223 -0.213 0.000 1.970 416 L HA -0.228 4.115 4.340 0.005 0.000 0.212 416 L C 2.271 179.093 176.870 -0.081 0.000 1.071 416 L CA 1.388 56.064 54.840 -0.273 0.000 0.751 416 L CB -0.370 41.382 42.059 -0.511 0.000 0.889 416 L HN 0.248 nan 8.230 nan 0.000 0.432 417 F N 0.286 120.173 119.950 -0.106 0.000 2.269 417 F HA -0.223 4.307 4.527 0.005 0.000 0.301 417 F C 2.483 178.322 175.800 0.064 0.000 1.082 417 F CA 1.496 59.503 58.000 0.010 0.000 1.360 417 F CB -0.135 38.949 39.000 0.139 0.000 1.041 417 F HN -0.079 nan 8.300 nan 0.000 0.512 418 K N -0.551 119.899 120.400 0.084 0.000 2.025 418 K HA -0.121 4.202 4.320 0.005 0.000 0.207 418 K C 1.970 178.546 176.600 -0.040 0.000 1.049 418 K CA 1.859 58.173 56.287 0.045 0.000 0.933 418 K CB -0.383 32.171 32.500 0.089 0.000 0.714 418 K HN 0.238 nan 8.250 nan 0.000 0.438 419 T N 2.386 116.899 114.554 -0.068 0.000 2.643 419 T HA -0.140 4.213 4.350 0.005 0.000 0.264 419 T C 1.958 176.569 174.700 -0.148 0.000 1.045 419 T CA 1.160 63.200 62.100 -0.101 0.000 1.155 419 T CB -0.328 68.473 68.868 -0.112 0.000 0.863 419 T HN 0.118 nan 8.240 nan 0.000 0.420 420 L N -0.146 120.969 121.223 -0.180 0.000 2.042 420 L HA -0.069 4.274 4.340 0.005 0.000 0.210 420 L C 2.406 179.117 176.870 -0.264 0.000 1.076 420 L CA 1.527 56.241 54.840 -0.211 0.000 0.749 420 L CB -0.598 41.346 42.059 -0.191 0.000 0.893 420 L HN 0.205 nan 8.230 nan 0.000 0.432 421 F N 0.891 120.508 119.950 -0.555 0.000 2.186 421 F HA -0.187 4.343 4.527 0.005 0.000 0.299 421 F C 2.515 178.093 175.800 -0.369 0.000 1.090 421 F CA 1.539 59.183 58.000 -0.594 0.000 1.307 421 F CB -0.168 38.322 39.000 -0.850 0.000 1.019 421 F HN -0.135 nan 8.300 nan 0.000 0.489 422 K N 0.255 120.424 120.400 -0.385 0.000 2.228 422 K HA -0.174 4.149 4.320 0.005 0.000 0.202 422 K C 2.163 178.591 176.600 -0.287 0.000 1.051 422 K CA 0.975 57.037 56.287 -0.373 0.000 0.960 422 K CB -0.057 32.344 32.500 -0.165 0.000 0.743 422 K HN 0.124 nan 8.250 nan 0.000 0.458 423 K N 1.273 121.533 120.400 -0.233 0.000 2.057 423 K HA -0.140 4.183 4.320 0.005 0.000 0.207 423 K C 1.929 178.410 176.600 -0.199 0.000 1.049 423 K CA 1.153 57.335 56.287 -0.175 0.000 0.931 423 K CB -0.294 32.116 32.500 -0.149 0.000 0.714 423 K HN 0.193 nan 8.250 nan 0.000 0.440 424 L N 0.263 121.318 121.223 -0.281 0.000 2.027 424 L HA -0.157 4.186 4.340 0.005 0.000 0.206 424 L C 1.955 178.629 176.870 -0.327 0.000 1.074 424 L CA 2.047 56.717 54.840 -0.283 0.000 0.745 424 L CB -0.892 40.988 42.059 -0.299 0.000 0.898 424 L HN 0.236 nan 8.230 nan 0.000 0.433 425 T N 0.407 114.627 114.554 -0.557 0.000 2.649 425 T HA -0.299 4.054 4.350 0.005 0.000 0.268 425 T C 1.651 176.233 174.700 -0.197 0.000 1.036 425 T CA 2.279 64.100 62.100 -0.466 0.000 1.157 425 T CB -0.287 68.214 68.868 -0.612 0.000 0.861 425 T HN 0.579 nan 8.240 nan 0.000 0.445 426 K N 0.324 120.657 120.400 -0.112 0.000 2.365 426 K HA 0.031 4.354 4.320 0.005 0.000 0.197 426 K C 1.233 177.880 176.600 0.079 0.000 1.042 426 K CA 1.102 57.429 56.287 0.067 0.000 0.987 426 K CB 0.163 32.703 32.500 0.066 0.000 0.779 426 K HN 0.121 nan 8.250 nan 0.000 0.484 427 D N 1.082 121.481 120.400 -0.003 0.000 2.323 427 D HA -0.005 4.638 4.640 0.005 0.000 0.209 427 D C 1.683 178.017 176.300 0.058 0.000 0.973 427 D CA 0.416 54.431 54.000 0.025 0.000 0.874 427 D CB 0.175 40.962 40.800 -0.022 0.000 0.930 427 D HN 0.180 nan 8.370 nan 0.000 0.521 428 I N 0.061 120.639 120.570 0.013 0.000 2.286 428 I HA -0.159 4.014 4.170 0.005 0.000 0.245 428 I C 2.208 178.380 176.117 0.091 0.000 1.104 428 I CA 0.700 62.007 61.300 0.013 0.000 1.397 428 I CB -1.155 36.813 38.000 -0.054 0.000 1.072 428 I HN -0.009 nan 8.210 nan 0.000 0.417 429 F N 1.466 121.436 119.950 0.034 0.000 2.043 429 F HA -0.295 4.235 4.527 0.005 0.000 0.297 429 F C 2.869 178.697 175.800 0.046 0.000 1.121 429 F CA 1.515 59.534 58.000 0.032 0.000 1.199 429 F CB -0.214 38.790 39.000 0.007 0.000 0.968 429 F HN -0.000 nan 8.300 nan 0.000 0.478 430 R N -1.323 119.332 120.500 0.257 0.000 2.120 430 R HA -0.213 4.130 4.340 0.005 0.000 0.234 430 R C 2.023 178.411 176.300 0.147 0.000 1.123 430 R CA 1.537 57.727 56.100 0.151 0.000 0.975 430 R CB -0.608 29.753 30.300 0.101 0.000 0.866 430 R HN 0.391 nan 8.270 nan 0.000 0.446 431 Y N 0.418 120.749 120.300 0.051 0.000 2.263 431 Y HA -0.118 4.435 4.550 0.005 0.000 0.292 431 Y C 2.198 178.120 175.900 0.037 0.000 1.130 431 Y CA 1.475 59.595 58.100 0.032 0.000 1.179 431 Y CB 0.082 38.554 38.460 0.020 0.000 0.998 431 Y HN -0.077 nan 8.280 nan 0.000 0.532 432 M N -0.682 119.045 119.600 0.211 0.000 2.388 432 M HA -0.133 4.350 4.480 0.005 0.000 0.265 432 M C 1.912 178.261 176.300 0.082 0.000 1.088 432 M CA 1.206 56.590 55.300 0.141 0.000 1.134 432 M CB 0.141 32.842 32.600 0.168 0.000 1.384 432 M HN 0.288 nan 8.290 nan 0.000 0.447 433 Q N -0.263 119.596 119.800 0.098 0.000 2.096 433 Q HA -0.076 4.268 4.340 0.005 0.000 0.197 433 Q C 1.583 177.583 176.000 -0.001 0.000 0.964 433 Q CA 1.104 56.941 55.803 0.057 0.000 0.838 433 Q CB 0.120 28.889 28.738 0.052 0.000 0.906 433 Q HN 0.469 nan 8.270 nan 0.000 0.444 434 R N -0.308 120.175 120.500 -0.028 0.000 2.313 434 R HA 0.042 4.385 4.340 0.005 0.000 0.199 434 R C 1.719 177.956 176.300 -0.105 0.000 0.958 434 R CA 0.676 56.738 56.100 -0.063 0.000 1.047 434 R CB 0.165 30.423 30.300 -0.071 0.000 0.955 434 R HN 0.144 nan 8.270 nan 0.000 0.481 435 T N 0.332 114.816 114.554 -0.116 0.000 2.809 435 T HA -0.094 4.259 4.350 0.005 0.000 0.260 435 T C 1.846 176.510 174.700 -0.061 0.000 1.039 435 T CA 1.616 63.640 62.100 -0.126 0.000 1.141 435 T CB -0.121 68.675 68.868 -0.120 0.000 0.869 435 T HN 0.264 nan 8.240 nan 0.000 0.437 436 V N -1.074 118.822 119.914 -0.030 0.000 0.617 436 V HA -0.423 3.700 4.120 0.005 0.000 0.076 436 V C 0.569 176.658 176.094 -0.008 0.000 2.512 436 V CA 2.216 64.509 62.300 -0.013 0.000 3.618 436 V CB -2.000 29.814 31.823 -0.015 0.000 1.104 436 V HN 0.611 nan 8.190 nan 0.000 1.046 447 A N 3.298 125.685 122.820 -0.722 0.000 1.344 447 A HA -0.274 4.049 4.320 0.005 0.000 0.222 447 A C 0.553 177.849 177.584 -0.481 0.000 0.364 447 A CA 1.650 52.998 52.037 -1.149 0.000 1.096 447 A CB -1.675 16.779 19.000 -0.911 0.000 1.468 447 A HN 0.569 nan 8.150 nan 0.000 0.722 448 I N 1.997 122.406 120.570 -0.268 0.000 2.769 448 I HA -0.036 4.137 4.170 0.005 0.000 0.285 448 I C 1.383 177.421 176.117 -0.131 0.000 1.173 448 I CA 1.136 62.341 61.300 -0.158 0.000 1.389 448 I CB -0.416 37.520 38.000 -0.107 0.000 1.404 448 I HN 0.574 nan 8.210 nan 0.000 0.544 449 N N 5.732 124.361 118.700 -0.119 0.000 2.459 449 N HA -0.094 4.649 4.740 0.005 0.000 0.181 449 N C 1.521 176.977 175.510 -0.090 0.000 1.046 449 N CA 1.181 54.181 53.050 -0.082 0.000 0.904 449 N CB 0.250 38.696 38.487 -0.068 0.000 0.964 449 N HN 0.777 nan 8.380 nan 0.000 0.444 450 A N 0.818 123.543 122.820 -0.158 0.000 1.473 450 A HA -0.433 3.890 4.320 0.005 0.000 0.223 450 A C 1.773 179.263 177.584 -0.158 0.000 0.365 450 A CA 2.365 54.248 52.037 -0.257 0.000 1.096 450 A CB -2.077 16.736 19.000 -0.311 0.000 1.465 450 A HN 0.490 nan 8.150 nan 0.000 0.719 451 K N -0.375 119.987 120.400 -0.064 0.000 2.160 451 K HA -0.196 4.128 4.320 0.005 0.000 0.206 451 K C 1.860 178.441 176.600 -0.033 0.000 1.047 451 K CA 2.546 58.823 56.287 -0.016 0.000 0.930 451 K CB -0.834 31.677 32.500 0.019 0.000 0.720 451 K HN 0.738 nan 8.250 nan 0.000 0.450 452 T N 2.196 116.713 114.554 -0.062 0.000 2.565 452 T HA -0.207 4.146 4.350 0.005 0.000 0.265 452 T C 2.011 176.664 174.700 -0.079 0.000 1.082 452 T CA 2.113 64.166 62.100 -0.078 0.000 1.173 452 T CB -0.250 68.554 68.868 -0.107 0.000 0.864 452 T HN 0.264 nan 8.240 nan 0.000 0.425 453 I N 0.529 121.047 120.570 -0.086 0.000 2.252 453 I HA -0.186 3.987 4.170 0.005 0.000 0.245 453 I C 2.606 178.729 176.117 0.011 0.000 1.102 453 I CA 1.120 62.395 61.300 -0.043 0.000 1.385 453 I CB -0.434 37.554 38.000 -0.021 0.000 1.064 453 I HN 0.326 nan 8.210 nan 0.000 0.414 454 T N 0.217 114.770 114.554 -0.001 0.000 2.523 454 T HA -0.196 4.157 4.350 0.005 0.000 0.253 454 T C 1.991 176.721 174.700 0.050 0.000 1.139 454 T CA 2.022 64.146 62.100 0.040 0.000 1.230 454 T CB -0.615 68.283 68.868 0.050 0.000 0.871 454 T HN 0.498 nan 8.240 nan 0.000 0.396 455 S N 1.424 117.153 115.700 0.048 0.000 2.441 455 S HA -0.100 4.373 4.470 0.005 0.000 0.242 455 S C 2.255 176.898 174.600 0.073 0.000 1.018 455 S CA 1.468 59.710 58.200 0.070 0.000 0.988 455 S CB -1.196 62.047 63.200 0.071 0.000 0.778 455 S HN 0.597 nan 8.310 nan 0.000 0.498 456 G N 1.485 110.298 108.800 0.021 0.000 2.403 456 G HA2 0.106 4.069 3.960 0.005 0.000 0.216 456 G HA3 0.106 4.069 3.960 0.005 0.000 0.216 456 G C 1.250 176.144 174.900 -0.009 0.000 1.154 456 G CA 0.501 45.589 45.100 -0.020 0.000 0.784 456 G HN 0.556 nan 8.290 nan 0.000 0.538 457 L N -0.385 120.845 121.223 0.012 0.000 2.645 457 L HA 0.241 4.584 4.340 0.005 0.000 0.235 457 L C 2.289 179.188 176.870 0.049 0.000 1.150 457 L CA 0.240 55.084 54.840 0.006 0.000 0.911 457 L CB 0.163 42.248 42.059 0.043 0.000 1.077 457 L HN 0.162 nan 8.230 nan 0.000 0.438 458 K N -0.997 119.457 120.400 0.089 0.000 2.266 458 K HA -0.013 4.310 4.320 0.005 0.000 0.209 458 K C 1.854 178.555 176.600 0.168 0.000 1.065 458 K CA 0.261 56.618 56.287 0.117 0.000 0.946 458 K CB -0.067 32.499 32.500 0.110 0.000 1.069 458 K HN 0.065 nan 8.250 nan 0.000 0.472 459 Y N 1.297 121.621 120.300 0.040 0.000 2.315 459 Y HA -0.256 4.297 4.550 0.005 0.000 0.288 459 Y C 1.824 177.765 175.900 0.069 0.000 1.154 459 Y CA 1.183 59.311 58.100 0.047 0.000 1.229 459 Y CB 0.150 38.627 38.460 0.029 0.000 0.980 459 Y HN 0.110 nan 8.280 nan 0.000 0.540 460 A N -0.328 122.710 122.820 0.364 0.000 1.878 460 A HA -0.064 4.259 4.320 0.005 0.000 0.213 460 A C 1.832 179.679 177.584 0.439 0.000 1.192 460 A CA 1.060 53.299 52.037 0.338 0.000 0.619 460 A CB -0.821 18.171 19.000 -0.013 0.000 0.837 460 A HN 0.421 nan 8.150 nan 0.000 0.446 461 L N -0.386 121.035 121.223 0.331 0.000 2.395 461 L HA 0.167 4.511 4.340 0.005 0.000 0.218 461 L C 2.455 179.428 176.870 0.172 0.000 1.130 461 L CA 1.288 56.307 54.840 0.300 0.000 0.826 461 L CB -0.687 41.452 42.059 0.134 0.000 0.941 461 L HN 0.372 nan 8.230 nan 0.000 0.451 462 A N -1.824 121.078 122.820 0.136 0.000 1.970 462 A HA -0.048 4.275 4.320 0.005 0.000 0.216 462 A C 1.995 179.598 177.584 0.032 0.000 1.170 462 A CA 1.808 53.884 52.037 0.065 0.000 0.645 462 A CB -0.387 18.625 19.000 0.021 0.000 0.816 462 A HN 0.476 nan 8.150 nan 0.000 0.447 463 T N -5.287 109.294 114.554 0.044 0.000 2.989 463 T HA 0.445 4.798 4.350 0.005 0.000 0.250 463 T C 1.367 176.107 174.700 0.067 0.000 0.981 463 T CA 0.935 63.042 62.100 0.011 0.000 0.980 463 T CB 0.423 69.234 68.868 -0.095 0.000 1.133 463 T HN 1.548 nan 8.240 nan 0.000 0.489 464 G N 2.773 111.668 108.800 0.157 0.000 2.141 464 G HA2 -0.219 3.744 3.960 0.005 0.000 0.231 464 G HA3 -0.219 3.744 3.960 0.005 0.000 0.231 464 G C 0.044 175.074 174.900 0.217 0.000 0.984 464 G CA -0.169 45.019 45.100 0.147 0.000 0.660 464 G HN 0.507 nan 8.290 nan 0.000 0.525 465 N N 0.748 119.607 118.700 0.264 0.000 3.243 465 N HA 0.029 4.772 4.740 0.005 0.000 0.310 465 N C 0.288 176.012 175.510 0.357 0.000 1.313 465 N CA -0.288 52.933 53.050 0.286 0.000 1.204 465 N CB -0.149 38.533 38.487 0.324 0.000 1.483 465 N HN 0.599 nan 8.380 nan 0.000 0.553 466 W N 1.300 122.646 121.300 0.076 0.000 2.609 466 W HA -0.015 4.648 4.660 0.005 0.000 0.482 466 W C 0.305 176.846 176.519 0.037 0.000 0.964 466 W CA 0.194 57.569 57.345 0.051 0.000 1.700 466 W CB -0.224 29.254 29.460 0.030 0.000 1.478 466 W HN 0.470 nan 8.180 nan 0.000 0.403 467 G N 3.004 111.762 108.800 -0.070 0.000 2.556 467 G HA2 0.038 4.001 3.960 0.005 0.000 0.231 467 G HA3 0.038 4.001 3.960 0.005 0.000 0.231 467 G C -0.397 174.418 174.900 -0.141 0.000 1.687 467 G CA -0.227 44.783 45.100 -0.151 0.000 0.917 467 G HN 0.455 nan 8.290 nan 0.000 0.492 468 E N -1.167 118.910 120.200 -0.205 0.000 3.064 468 E HA -0.266 4.087 4.350 0.005 0.000 0.247 468 E C 1.261 177.540 176.600 -0.535 0.000 1.372 468 E CA 2.445 58.636 56.400 -0.348 0.000 1.837 468 E CB -0.959 28.596 29.700 -0.242 0.000 2.036 468 E HN 0.972 nan 8.360 nan 0.000 0.546 469 Q N 0.490 120.048 119.800 -0.403 0.000 2.220 469 Q HA 0.415 4.758 4.340 0.005 0.000 0.205 469 Q C 1.173 177.102 176.000 -0.118 0.000 0.865 469 Q CA 0.937 56.545 55.803 -0.325 0.000 0.960 469 Q CB 0.322 28.916 28.738 -0.239 0.000 1.097 469 Q HN 0.390 nan 8.270 nan 0.000 0.493 470 K N 1.527 121.873 120.400 -0.090 0.000 2.001 470 K HA -0.179 4.144 4.320 0.005 0.000 0.208 470 K C 0.776 177.381 176.600 0.007 0.000 1.048 470 K CA 1.819 58.085 56.287 -0.035 0.000 0.932 470 K CB 0.006 32.486 32.500 -0.033 0.000 0.715 470 K HN 0.370 nan 8.250 nan 0.000 0.437 471 K N -2.040 118.383 120.400 0.039 0.000 3.518 471 K HA -0.348 3.975 4.320 0.005 0.000 0.287 471 K C 1.233 177.859 176.600 0.043 0.000 0.935 471 K CA 1.812 58.135 56.287 0.059 0.000 1.201 471 K CB -2.163 30.374 32.500 0.061 0.000 1.453 471 K HN 0.127 nan 8.250 nan 0.000 0.443 472 A N 1.089 123.925 122.820 0.027 0.000 1.892 472 A HA 0.059 4.382 4.320 0.005 0.000 0.218 472 A C 1.418 179.019 177.584 0.029 0.000 1.188 472 A CA 1.781 53.831 52.037 0.021 0.000 0.631 472 A CB -0.396 18.610 19.000 0.009 0.000 0.822 472 A HN 0.486 nan 8.150 nan 0.000 0.447 473 M N 1.377 120.997 119.600 0.033 0.000 2.292 473 M HA 0.267 4.751 4.480 0.005 0.000 0.342 473 M C 0.768 177.112 176.300 0.073 0.000 1.538 473 M CA 0.721 56.054 55.300 0.055 0.000 1.163 473 M CB -0.070 32.565 32.600 0.058 0.000 1.823 473 M HN 0.843 nan 8.290 nan 0.000 0.462 474 S N 2.814 118.557 115.700 0.072 0.000 3.697 474 S HA -0.249 4.224 4.470 0.005 0.000 0.638 474 S C 0.737 175.395 174.600 0.097 0.000 2.176 474 S CA 1.382 59.624 58.200 0.069 0.000 2.349 474 S CB -1.275 61.957 63.200 0.053 0.000 0.329 474 S HN 1.889 nan 8.310 nan 0.000 1.794 475 S N -0.093 115.663 115.700 0.094 0.000 1.926 475 S HA -0.505 3.968 4.470 0.005 0.000 0.218 475 S C 1.315 175.963 174.600 0.080 0.000 1.007 475 S CA 2.914 61.180 58.200 0.110 0.000 1.736 475 S CB -2.266 61.059 63.200 0.209 0.000 2.324 475 S HN 2.051 nan 8.310 nan 0.000 0.555 476 R N 0.881 121.441 120.500 0.100 0.000 3.559 476 R HA -0.235 4.108 4.340 0.005 0.000 0.569 476 R C 1.487 177.808 176.300 0.035 0.000 0.241 476 R CA 2.331 58.475 56.100 0.074 0.000 1.762 476 R CB -1.798 28.534 30.300 0.054 0.000 0.881 476 R HN 2.228 nan 8.270 nan 0.000 0.615 477 A N -0.337 122.493 122.820 0.016 0.000 3.292 477 A HA -0.225 4.098 4.320 0.005 0.000 0.273 477 A C 1.197 178.768 177.584 -0.022 0.000 1.153 477 A CA 2.348 54.381 52.037 -0.008 0.000 0.998 477 A CB -2.271 16.715 19.000 -0.023 0.000 0.977 477 A HN 2.257 nan 8.150 nan 0.000 0.707 478 G N -1.844 106.954 108.800 -0.003 0.000 2.352 478 G HA2 0.018 3.981 3.960 0.005 0.000 0.283 478 G HA3 0.018 3.981 3.960 0.005 0.000 0.283 478 G C 0.199 175.050 174.900 -0.081 0.000 0.946 478 G CA 0.294 45.389 45.100 -0.007 0.000 1.317 478 G HN 1.799 nan 8.290 nan 0.000 0.478 479 V N 0.452 120.252 119.914 -0.191 0.000 2.000 479 V HA 0.333 4.456 4.120 0.005 0.000 0.257 479 V C 1.316 177.167 176.094 -0.404 0.000 1.801 479 V CA 1.583 63.636 62.300 -0.410 0.000 1.713 479 V CB -0.093 31.218 31.823 -0.854 0.000 1.531 479 V HN 1.300 nan 8.190 nan 0.000 0.493 480 S N 0.867 116.467 115.700 -0.166 0.000 3.202 480 S HA 0.097 4.570 4.470 0.005 0.000 0.132 480 S C 0.112 174.724 174.600 0.021 0.000 0.854 480 S CA -0.722 57.441 58.200 -0.061 0.000 0.832 480 S CB -0.071 63.124 63.200 -0.009 0.000 1.430 480 S HN 0.704 nan 8.310 nan 0.000 0.643 481 Q N 0.738 120.564 119.800 0.044 0.000 2.540 481 Q HA 0.145 4.488 4.340 0.005 0.000 0.256 481 Q C 0.922 176.982 176.000 0.100 0.000 1.084 481 Q CA 0.216 56.082 55.803 0.105 0.000 0.956 481 Q CB 0.258 29.158 28.738 0.270 0.000 1.303 481 Q HN 0.512 nan 8.270 nan 0.000 0.509 482 V N 0.485 120.417 119.914 0.030 0.000 1.984 482 V HA 0.097 4.220 4.120 0.005 0.000 0.272 482 V C 1.053 177.109 176.094 -0.062 0.000 1.706 482 V CA -0.047 62.248 62.300 -0.008 0.000 1.644 482 V CB -1.935 29.869 31.823 -0.032 0.000 1.509 482 V HN 0.757 nan 8.190 nan 0.000 0.511 483 L N 0.520 121.743 121.223 0.001 0.000 6.673 483 L HA -0.316 4.027 4.340 0.005 0.000 0.060 483 L C 0.480 177.221 176.870 -0.216 0.000 1.469 483 L CA 1.953 56.778 54.840 -0.025 0.000 1.774 483 L CB -0.116 41.807 42.059 -0.225 0.000 2.600 483 L HN 0.927 nan 8.230 nan 0.000 1.024 484 N N -0.581 117.987 118.700 -0.221 0.000 2.697 484 N HA 0.375 5.118 4.740 0.005 0.000 0.271 484 N C -1.503 173.889 175.510 -0.197 0.000 1.149 484 N CA -0.494 52.399 53.050 -0.261 0.000 0.939 484 N CB 0.946 39.223 38.487 -0.349 0.000 1.534 484 N HN 0.395 nan 8.380 nan 0.000 0.556 485 R N 2.947 123.300 120.500 -0.246 0.000 2.587 485 R HA 0.336 4.679 4.340 0.005 0.000 0.283 485 R C -0.478 175.506 176.300 -0.527 0.000 1.472 485 R CA -0.314 55.567 56.100 -0.365 0.000 1.578 485 R CB -0.019 29.995 30.300 -0.476 0.000 1.130 485 R HN 0.635 nan 8.270 nan 0.000 0.602 486 Y N -0.283 119.807 120.300 -0.351 0.000 2.447 486 Y HA 0.341 4.894 4.550 0.005 0.000 0.286 486 Y C 0.088 175.935 175.900 -0.089 0.000 1.153 486 Y CA 0.605 58.541 58.100 -0.273 0.000 1.241 486 Y CB 1.242 39.591 38.460 -0.184 0.000 1.284 486 Y HN 0.081 nan 8.280 nan 0.000 0.520 487 T N 0.589 115.255 114.554 0.188 0.000 2.928 487 T HA 0.131 4.484 4.350 0.005 0.000 0.296 487 T C -0.403 174.449 174.700 0.254 0.000 1.000 487 T CA -0.600 61.638 62.100 0.229 0.000 0.989 487 T CB 1.266 70.292 68.868 0.264 0.000 1.005 487 T HN 0.219 nan 8.240 nan 0.000 0.442 488 Y N 3.658 124.051 120.300 0.156 0.000 2.222 488 Y HA -0.386 4.166 4.550 0.005 0.000 0.238 488 Y C 2.658 178.623 175.900 0.108 0.000 1.319 488 Y CA 2.974 61.146 58.100 0.120 0.000 1.016 488 Y CB -0.771 37.730 38.460 0.068 0.000 0.810 488 Y HN 0.715 nan 8.280 nan 0.000 0.526 489 S N -0.734 115.069 115.700 0.173 0.000 2.547 489 S HA -0.128 4.345 4.470 0.005 0.000 0.235 489 S C 2.060 176.644 174.600 -0.027 0.000 0.980 489 S CA 1.081 59.299 58.200 0.032 0.000 0.941 489 S CB -0.891 62.355 63.200 0.076 0.000 0.763 489 S HN 0.661 nan 8.310 nan 0.000 0.532 490 S N 2.023 117.724 115.700 0.000 0.000 2.336 490 S HA -0.127 4.347 4.470 0.005 0.000 0.216 490 S C 1.958 176.532 174.600 -0.043 0.000 1.032 490 S CA 1.384 59.573 58.200 -0.018 0.000 0.973 490 S CB -1.731 61.467 63.200 -0.003 0.000 0.888 490 S HN 0.551 nan 8.310 nan 0.000 0.455 491 T N 3.967 118.474 114.554 -0.078 0.000 2.624 491 T HA -0.129 4.225 4.350 0.005 0.000 0.268 491 T C 1.826 176.453 174.700 -0.123 0.000 1.041 491 T CA 1.887 63.925 62.100 -0.104 0.000 1.159 491 T CB -0.986 67.795 68.868 -0.146 0.000 0.863 491 T HN 0.307 nan 8.240 nan 0.000 0.434 492 L N 0.550 121.634 121.223 -0.231 0.000 1.997 492 L HA -0.196 4.148 4.340 0.005 0.000 0.216 492 L C 2.979 179.791 176.870 -0.096 0.000 1.074 492 L CA 1.509 56.229 54.840 -0.201 0.000 0.763 492 L CB -0.755 41.163 42.059 -0.235 0.000 0.890 492 L HN 0.283 nan 8.230 nan 0.000 0.434 493 S N -1.907 113.751 115.700 -0.069 0.000 2.345 493 S HA -0.209 4.264 4.470 0.005 0.000 0.220 493 S C 1.923 176.518 174.600 -0.008 0.000 1.031 493 S CA 0.712 58.890 58.200 -0.038 0.000 0.996 493 S CB -0.388 62.792 63.200 -0.033 0.000 0.882 493 S HN 0.480 nan 8.310 nan 0.000 0.445 494 H N 0.566 119.582 119.070 -0.090 0.000 2.518 494 H HA 0.030 4.589 4.556 0.005 0.000 0.292 494 H C 1.554 176.838 175.328 -0.074 0.000 1.068 494 H CA 0.866 56.864 56.048 -0.083 0.000 1.275 494 H CB -0.042 29.664 29.762 -0.093 0.000 1.375 494 H HN 0.305 nan 8.280 nan 0.000 0.563 495 L N -0.200 120.966 121.223 -0.095 0.000 2.418 495 L HA 0.019 4.362 4.340 0.005 0.000 0.218 495 L C 1.733 178.536 176.870 -0.111 0.000 1.125 495 L CA 0.524 55.294 54.840 -0.116 0.000 0.835 495 L CB 0.175 42.202 42.059 -0.052 0.000 0.953 495 L HN 0.029 nan 8.230 nan 0.000 0.454 496 R N -0.739 119.702 120.500 -0.099 0.000 2.586 496 R HA 0.202 4.545 4.340 0.005 0.000 0.336 496 R C 0.225 176.477 176.300 -0.081 0.000 1.060 496 R CA -0.232 55.825 56.100 -0.072 0.000 1.079 496 R CB 0.514 30.785 30.300 -0.048 0.000 1.317 496 R HN 0.089 nan 8.270 nan 0.000 0.568 497 R N 0.029 120.455 120.500 -0.123 0.000 2.500 497 R HA 0.283 4.626 4.340 0.005 0.000 0.275 497 R C -0.655 175.591 176.300 -0.090 0.000 1.051 497 R CA 0.214 56.248 56.100 -0.110 0.000 1.088 497 R CB 1.293 31.505 30.300 -0.148 0.000 1.063 497 R HN -0.143 nan 8.270 nan 0.000 0.511 498 T N 2.983 117.502 114.554 -0.059 0.000 2.930 498 T HA 0.204 4.557 4.350 0.005 0.000 0.313 498 T C -0.912 173.774 174.700 -0.024 0.000 1.019 498 T CA -0.851 61.233 62.100 -0.026 0.000 1.004 498 T CB 0.559 69.442 68.868 0.024 0.000 0.987 498 T HN 0.735 nan 8.240 nan 0.000 0.456 499 N N 1.376 120.056 118.700 -0.032 0.000 2.476 499 N HA 0.675 5.418 4.740 0.005 0.000 0.276 499 N C -0.963 174.547 175.510 0.000 0.000 1.204 499 N CA -0.523 52.514 53.050 -0.022 0.000 0.974 499 N CB 1.221 39.688 38.487 -0.033 0.000 1.204 499 N HN 0.286 nan 8.380 nan 0.000 0.543 500 T N 0.552 115.110 114.554 0.008 0.000 2.991 500 T HA 0.419 4.772 4.350 0.005 0.000 0.303 500 T C -2.547 172.161 174.700 0.015 0.000 1.015 500 T CA -0.858 61.255 62.100 0.022 0.000 1.007 500 T CB 1.522 70.416 68.868 0.043 0.000 1.034 500 T HN 0.578 nan 8.240 nan 0.000 0.446 501 P HA 0.423 nan 4.420 nan 0.000 0.296 501 P C 0.853 178.161 177.300 0.013 0.000 1.295 501 P CA -0.485 62.623 63.100 0.014 0.000 0.754 501 P CB 0.572 32.283 31.700 0.019 0.000 1.311 510 K N 1.194 121.602 120.400 0.014 0.000 2.484 510 K HA 0.518 4.841 4.320 0.005 0.000 0.226 510 K C -2.397 174.234 176.600 0.052 0.000 1.031 510 K CA -1.484 54.818 56.287 0.025 0.000 1.026 510 K CB 1.279 33.792 32.500 0.021 0.000 1.412 510 K HN 0.340 nan 8.250 nan 0.000 0.492 511 P HA 0.069 nan 4.420 nan 0.000 0.251 511 P C 0.236 177.579 177.300 0.072 0.000 1.223 511 P CA 0.315 63.456 63.100 0.069 0.000 0.796 511 P CB 0.563 32.291 31.700 0.047 0.000 1.068 512 R N -1.073 119.453 120.500 0.044 0.000 2.175 512 R HA 0.144 4.487 4.340 0.005 0.000 0.202 512 R C 0.916 177.227 176.300 0.019 0.000 1.018 512 R CA -0.098 56.013 56.100 0.018 0.000 1.029 512 R CB -0.437 29.862 30.300 -0.001 0.000 0.959 512 R HN 0.151 nan 8.270 nan 0.000 0.480 513 Q N 1.683 121.506 119.800 0.039 0.000 2.304 513 Q HA -0.014 4.329 4.340 0.005 0.000 0.301 513 Q C -0.753 175.302 176.000 0.091 0.000 1.063 513 Q CA 0.107 55.935 55.803 0.042 0.000 0.947 513 Q CB 0.562 29.323 28.738 0.040 0.000 1.201 513 Q HN 0.058 nan 8.270 nan 0.000 0.389 514 L N 4.308 125.567 121.223 0.060 0.000 2.433 514 L HA 0.163 4.506 4.340 0.005 0.000 0.275 514 L C -0.853 176.130 176.870 0.189 0.000 1.128 514 L CA 0.555 55.467 54.840 0.120 0.000 0.875 514 L CB 0.100 42.176 42.059 0.029 0.000 1.171 514 L HN 0.697 nan 8.230 nan 0.000 0.463 515 H N 3.576 122.801 119.070 0.259 0.000 2.499 515 H HA 0.336 4.895 4.556 0.005 0.000 0.340 515 H C 1.024 176.332 175.328 -0.033 0.000 1.148 515 H CA -0.373 55.686 56.048 0.019 0.000 1.215 515 H CB 1.047 30.717 29.762 -0.153 0.000 1.529 515 H HN 0.756 nan 8.280 nan 0.000 0.510 516 N N 1.109 119.878 118.700 0.115 0.000 2.132 516 N HA -0.197 4.546 4.740 0.005 0.000 0.191 516 N C 1.156 176.748 175.510 0.136 0.000 1.015 516 N CA 1.961 55.079 53.050 0.113 0.000 0.864 516 N CB -0.018 38.483 38.487 0.024 0.000 1.006 516 N HN 0.687 nan 8.380 nan 0.000 0.430 517 T N -1.947 112.656 114.554 0.082 0.000 3.118 517 T HA -0.006 4.347 4.350 0.005 0.000 0.260 517 T C 1.307 175.957 174.700 -0.084 0.000 1.139 517 T CA 0.563 62.584 62.100 -0.132 0.000 1.085 517 T CB -0.184 68.382 68.868 -0.503 0.000 0.934 517 T HN 0.255 nan 8.240 nan 0.000 0.518 518 H N -0.191 118.847 119.070 -0.054 0.000 2.546 518 H HA 0.055 4.614 4.556 0.005 0.000 0.277 518 H C 0.777 176.059 175.328 -0.077 0.000 1.004 518 H CA -0.061 55.848 56.048 -0.232 0.000 1.231 518 H CB -0.344 29.264 29.762 -0.257 0.000 1.382 518 H HN 0.575 nan 8.280 nan 0.000 0.580 519 W N 2.373 123.672 121.300 -0.002 0.000 2.613 519 W HA 0.114 4.777 4.660 0.005 0.000 0.342 519 W C 0.398 176.905 176.519 -0.020 0.000 1.416 519 W CA 1.277 58.616 57.345 -0.011 0.000 1.335 519 W CB -0.325 29.127 29.460 -0.014 0.000 1.396 519 W HN 0.463 nan 8.180 nan 0.000 0.572 520 G N 4.748 113.221 108.800 -0.545 0.000 2.198 520 G HA2 -0.318 3.645 3.960 0.005 0.000 0.260 520 G HA3 -0.318 3.645 3.960 0.005 0.000 0.260 520 G C 0.340 175.101 174.900 -0.231 0.000 1.025 520 G CA 0.490 45.280 45.100 -0.518 0.000 0.769 520 G HN 0.627 nan 8.290 nan 0.000 0.507 521 L N -2.193 118.948 121.223 -0.136 0.000 2.664 521 L HA 0.342 4.685 4.340 0.005 0.000 0.198 521 L C 1.071 177.880 176.870 -0.102 0.000 1.057 521 L CA -0.015 54.798 54.840 -0.046 0.000 0.871 521 L CB 0.022 42.175 42.059 0.156 0.000 1.364 521 L HN 0.063 nan 8.230 nan 0.000 0.483 522 V N 0.411 120.205 119.914 -0.199 0.000 2.617 522 V HA 0.180 4.303 4.120 0.005 0.000 0.298 522 V C -0.113 175.844 176.094 -0.228 0.000 1.048 522 V CA -0.979 61.158 62.300 -0.272 0.000 0.964 522 V CB 2.309 33.797 31.823 -0.559 0.000 1.004 522 V HN 0.354 nan 8.190 nan 0.000 0.466 523 C N 7.839 127.021 119.300 -0.197 0.000 2.629 523 C HA 0.305 4.768 4.460 0.005 0.000 0.410 523 C C -0.174 174.719 174.990 -0.161 0.000 1.339 523 C CA -1.042 57.880 59.018 -0.160 0.000 1.810 523 C CB 0.322 27.987 27.740 -0.125 0.000 2.549 523 C HN 0.843 nan 8.230 nan 0.000 0.589 524 P HA -0.037 nan 4.420 nan 0.000 0.216 524 P C 1.289 178.536 177.300 -0.087 0.000 1.153 524 P CA 2.332 65.379 63.100 -0.088 0.000 0.844 524 P CB 0.031 31.719 31.700 -0.020 0.000 0.787 525 A N 0.613 123.388 122.820 -0.076 0.000 1.840 525 A HA -0.111 4.212 4.320 0.005 0.000 0.214 525 A C 1.525 179.048 177.584 -0.103 0.000 1.198 525 A CA 0.502 52.492 52.037 -0.078 0.000 0.608 525 A CB -1.418 17.549 19.000 -0.056 0.000 0.839 525 A HN 0.228 nan 8.150 nan 0.000 0.443 526 E N 0.859 120.999 120.200 -0.101 0.000 2.161 526 E HA 0.261 4.614 4.350 0.005 0.000 0.263 526 E C -0.459 176.074 176.600 -0.113 0.000 1.185 526 E CA 0.410 56.749 56.400 -0.101 0.000 0.938 526 E CB -0.157 29.488 29.700 -0.091 0.000 1.023 526 E HN 0.343 nan 8.360 nan 0.000 0.433 527 T N 4.303 118.789 114.554 -0.113 0.000 3.012 527 T HA 0.367 4.720 4.350 0.005 0.000 0.330 527 T C -2.841 171.799 174.700 -0.101 0.000 1.321 527 T CA -1.671 60.365 62.100 -0.106 0.000 1.067 527 T CB 1.407 70.204 68.868 -0.118 0.000 1.235 527 T HN 0.215 nan 8.240 nan 0.000 0.479 528 P HA 0.256 nan 4.420 nan 0.000 0.269 528 P C -0.633 176.625 177.300 -0.070 0.000 1.209 528 P CA -0.138 62.923 63.100 -0.065 0.000 0.776 528 P CB 0.389 32.061 31.700 -0.046 0.000 0.876 529 E N 1.128 121.292 120.200 -0.059 0.000 2.313 529 E HA 0.428 4.781 4.350 0.005 0.000 0.276 529 E C 1.023 177.607 176.600 -0.026 0.000 1.031 529 E CA -0.666 55.705 56.400 -0.049 0.000 0.857 529 E CB 0.051 29.750 29.700 -0.003 0.000 1.040 529 E HN 0.716 nan 8.360 nan 0.000 0.408 530 G N 2.068 110.853 108.800 -0.025 0.000 2.668 530 G HA2 -0.424 3.539 3.960 0.005 0.000 0.266 530 G HA3 -0.424 3.539 3.960 0.005 0.000 0.266 530 G C 0.309 175.196 174.900 -0.021 0.000 1.328 530 G CA 0.511 45.600 45.100 -0.018 0.000 0.911 530 G HN 0.806 nan 8.290 nan 0.000 0.567 531 Q N -3.000 116.791 119.800 -0.016 0.000 2.108 531 Q HA -0.331 4.012 4.340 0.005 0.000 0.376 531 Q C 1.742 177.732 176.000 -0.016 0.000 1.048 531 Q CA 3.094 58.888 55.803 -0.015 0.000 0.965 531 Q CB -1.656 27.073 28.738 -0.016 0.000 2.066 531 Q HN 2.333 nan 8.270 nan 0.000 0.828 532 A N 0.188 122.997 122.820 -0.019 0.000 3.181 532 A HA 0.402 4.725 4.320 0.005 0.000 0.293 532 A C -0.203 177.364 177.584 -0.029 0.000 1.346 532 A CA -0.071 51.954 52.037 -0.020 0.000 1.018 532 A CB -0.028 18.961 19.000 -0.018 0.000 1.093 532 A HN 0.472 nan 8.150 nan 0.000 0.629 533 C N 0.539 119.820 119.300 -0.032 0.000 2.657 533 C HA 0.451 4.914 4.460 0.005 0.000 0.404 533 C C 1.875 176.836 174.990 -0.048 0.000 1.369 533 C CA 1.433 60.424 59.018 -0.045 0.000 1.665 533 C CB -1.653 26.060 27.740 -0.046 0.000 2.453 533 C HN 1.641 nan 8.230 nan 0.000 0.599 534 G N 4.957 113.719 108.800 -0.064 0.000 2.347 534 G HA2 -0.300 3.663 3.960 0.005 0.000 0.247 534 G HA3 -0.300 3.663 3.960 0.005 0.000 0.247 534 G C 0.806 175.671 174.900 -0.059 0.000 1.037 534 G CA 0.613 45.670 45.100 -0.072 0.000 0.622 534 G HN 0.691 nan 8.290 nan 0.000 0.521 535 L N 0.568 121.771 121.223 -0.034 0.000 2.093 535 L HA 0.117 4.460 4.340 0.005 0.000 0.208 535 L C 1.519 178.377 176.870 -0.021 0.000 1.085 535 L CA 0.952 55.783 54.840 -0.015 0.000 0.755 535 L CB -0.197 41.858 42.059 -0.007 0.000 0.904 535 L HN 0.237 nan 8.230 nan 0.000 0.435 536 V N 1.437 121.329 119.914 -0.037 0.000 2.546 536 V HA 0.186 4.309 4.120 0.005 0.000 0.284 536 V C -0.001 176.048 176.094 -0.074 0.000 1.050 536 V CA -0.381 61.893 62.300 -0.044 0.000 0.981 536 V CB 1.239 33.037 31.823 -0.041 0.000 0.990 536 V HN 0.209 nan 8.190 nan 0.000 0.474 537 K N 3.506 123.858 120.400 -0.080 0.000 2.508 537 K HA 0.504 4.827 4.320 0.005 0.000 0.260 537 K C -1.220 175.318 176.600 -0.103 0.000 0.949 537 K CA -0.775 55.435 56.287 -0.128 0.000 0.834 537 K CB 2.139 34.508 32.500 -0.220 0.000 1.365 537 K HN 0.472 nan 8.250 nan 0.000 0.437 538 N N 1.407 120.036 118.700 -0.118 0.000 2.456 538 N HA 0.328 5.071 4.740 0.005 0.000 0.296 538 N C -0.371 175.081 175.510 -0.097 0.000 1.102 538 N CA -0.669 52.325 53.050 -0.093 0.000 0.924 538 N CB 1.290 39.725 38.487 -0.086 0.000 1.186 538 N HN 0.331 nan 8.380 nan 0.000 0.492 539 L N 1.756 122.939 121.223 -0.067 0.000 2.416 539 L HA 0.091 4.434 4.340 0.005 0.000 0.272 539 L C 1.282 178.106 176.870 -0.077 0.000 1.161 539 L CA -0.301 54.503 54.840 -0.061 0.000 0.845 539 L CB 0.585 42.622 42.059 -0.037 0.000 1.119 539 L HN 0.609 nan 8.230 nan 0.000 0.464 540 S N 2.451 118.089 115.700 -0.104 0.000 2.580 540 S HA 0.102 4.575 4.470 0.005 0.000 0.266 540 S C 1.186 175.741 174.600 -0.075 0.000 1.354 540 S CA -0.653 57.478 58.200 -0.115 0.000 1.008 540 S CB 0.817 63.909 63.200 -0.181 0.000 0.898 540 S HN 0.563 nan 8.310 nan 0.000 0.555 541 L N 0.202 121.405 121.223 -0.034 0.000 2.079 541 L HA -0.095 4.248 4.340 0.005 0.000 0.210 541 L C 2.504 179.411 176.870 0.061 0.000 1.081 541 L CA 1.549 56.439 54.840 0.084 0.000 0.752 541 L CB -0.319 41.846 42.059 0.177 0.000 0.896 541 L HN 0.734 nan 8.230 nan 0.000 0.433 542 M N -1.378 118.132 119.600 -0.150 0.000 2.382 542 M HA 0.079 4.562 4.480 0.005 0.000 0.247 542 M C 0.713 176.736 176.300 -0.463 0.000 1.104 542 M CA -0.129 54.920 55.300 -0.417 0.000 1.030 542 M CB 0.458 32.694 32.600 -0.606 0.000 1.424 542 M HN 0.155 nan 8.290 nan 0.000 0.486 543 S N -0.109 115.409 115.700 -0.302 0.000 2.549 543 S HA 0.299 4.772 4.470 0.005 0.000 0.283 543 S C -0.043 174.371 174.600 -0.310 0.000 1.320 543 S CA -0.937 57.073 58.200 -0.317 0.000 1.058 543 S CB 0.584 63.678 63.200 -0.177 0.000 0.882 543 S HN 0.324 nan 8.310 nan 0.000 0.498 544 C N 2.065 121.048 119.300 -0.528 0.000 3.082 544 C HA 0.741 5.204 4.460 0.005 0.000 0.384 544 C C -0.100 174.675 174.990 -0.358 0.000 1.832 544 C CA -0.939 57.844 59.018 -0.391 0.000 1.605 544 C CB 0.314 27.855 27.740 -0.331 0.000 2.303 544 C HN 0.907 nan 8.230 nan 0.000 0.473 545 I N 0.871 121.442 120.570 0.001 0.000 2.499 545 I HA 0.284 4.457 4.170 0.005 0.000 0.288 545 I C 0.144 176.552 176.117 0.486 0.000 1.048 545 I CA 0.226 61.672 61.300 0.243 0.000 1.062 545 I CB 1.833 39.904 38.000 0.119 0.000 1.238 545 I HN 0.683 nan 8.210 nan 0.000 0.426 546 S N 3.638 119.634 115.700 0.494 0.000 2.573 546 S HA 0.036 4.509 4.470 0.005 0.000 0.297 546 S C 0.709 175.377 174.600 0.113 0.000 1.280 546 S CA 0.144 58.446 58.200 0.170 0.000 1.061 546 S CB 0.763 63.979 63.200 0.028 0.000 0.812 546 S HN 0.521 nan 8.310 nan 0.000 0.500 547 V N 3.957 123.903 119.914 0.054 0.000 3.048 547 V HA 0.478 4.601 4.120 0.005 0.000 0.241 547 V C 1.005 177.095 176.094 -0.007 0.000 1.129 547 V CA 1.093 63.412 62.300 0.032 0.000 1.128 547 V CB 0.048 31.883 31.823 0.019 0.000 0.849 547 V HN 1.410 nan 8.190 nan 0.000 0.475 548 G N 1.096 109.875 108.800 -0.035 0.000 2.499 548 G HA2 -0.096 3.867 3.960 0.005 0.000 0.474 548 G HA3 -0.096 3.867 3.960 0.005 0.000 0.474 548 G C -0.187 174.671 174.900 -0.070 0.000 1.044 548 G CA -0.080 44.999 45.100 -0.036 0.000 1.316 548 G HN 0.355 nan 8.290 nan 0.000 0.617 549 T N 0.451 114.962 114.554 -0.071 0.000 2.887 549 T HA 0.433 4.786 4.350 0.005 0.000 0.371 549 T C 0.198 174.874 174.700 -0.040 0.000 1.126 549 T CA 0.424 62.480 62.100 -0.075 0.000 1.043 549 T CB 0.563 69.383 68.868 -0.080 0.000 1.362 549 T HN 0.474 nan 8.240 nan 0.000 0.525 550 D N 0.461 120.843 120.400 -0.030 0.000 2.375 550 D HA 0.373 5.016 4.640 0.005 0.000 0.247 550 D C -1.521 174.769 176.300 -0.016 0.000 1.061 550 D CA -2.347 51.648 54.000 -0.008 0.000 0.834 550 D CB 1.735 42.541 40.800 0.011 0.000 1.247 550 D HN 0.054 nan 8.370 nan 0.000 0.489 551 P HA -0.075 nan 4.420 nan 0.000 0.217 551 P C 1.472 178.756 177.300 -0.026 0.000 1.154 551 P CA 0.997 64.087 63.100 -0.017 0.000 0.841 551 P CB 0.014 31.720 31.700 0.010 0.000 0.790 552 M N -0.241 119.356 119.600 -0.004 0.000 2.296 552 M HA 0.079 4.562 4.480 0.005 0.000 0.265 552 M C -0.937 175.364 176.300 0.002 0.000 1.064 552 M CA 1.835 57.136 55.300 0.001 0.000 1.109 552 M CB -2.520 30.094 32.600 0.022 0.000 1.396 552 M HN -0.088 nan 8.290 nan 0.000 0.430 553 P HA 0.089 nan 4.420 nan 0.000 0.256 553 P C 0.729 178.036 177.300 0.012 0.000 1.335 553 P CA 0.680 63.791 63.100 0.018 0.000 0.808 553 P CB -0.034 31.672 31.700 0.010 0.000 1.305 554 I N -1.171 119.388 120.570 -0.018 0.000 3.345 554 I HA -0.013 4.160 4.170 0.005 0.000 0.258 554 I C 2.224 178.338 176.117 -0.005 0.000 1.134 554 I CA 0.048 61.324 61.300 -0.039 0.000 1.457 554 I CB -0.960 36.975 38.000 -0.108 0.000 1.425 554 I HN -0.159 nan 8.210 nan 0.000 0.461 555 I N 1.423 121.936 120.570 -0.095 0.000 2.147 555 I HA -0.378 3.795 4.170 0.005 0.000 0.245 555 I C 2.590 178.684 176.117 -0.038 0.000 1.059 555 I CA 2.084 63.288 61.300 -0.160 0.000 1.320 555 I CB -0.837 37.073 38.000 -0.150 0.000 1.021 555 I HN 0.185 nan 8.210 nan 0.000 0.415 556 T N -1.363 113.206 114.554 0.024 0.000 3.043 556 T HA -0.062 4.291 4.350 0.005 0.000 0.263 556 T C 1.675 176.421 174.700 0.078 0.000 1.094 556 T CA 0.439 62.566 62.100 0.044 0.000 1.127 556 T CB -0.272 68.624 68.868 0.046 0.000 0.905 556 T HN 0.323 nan 8.240 nan 0.000 0.490 557 F N 1.243 121.181 119.950 -0.021 0.000 2.128 557 F HA 0.123 4.653 4.527 0.005 0.000 0.295 557 F C 1.722 177.542 175.800 0.033 0.000 1.100 557 F CA 1.085 59.089 58.000 0.007 0.000 1.260 557 F CB -0.231 38.725 39.000 -0.073 0.000 1.009 557 F HN 0.068 nan 8.300 nan 0.000 0.476 558 L N 0.396 121.754 121.223 0.226 0.000 1.971 558 L HA -0.294 4.049 4.340 0.005 0.000 0.215 558 L C 2.738 179.600 176.870 -0.012 0.000 1.072 558 L CA 1.863 56.760 54.840 0.095 0.000 0.758 558 L CB -1.315 40.753 42.059 0.016 0.000 0.889 558 L HN 0.258 nan 8.230 nan 0.000 0.433 559 S N -0.573 115.115 115.700 -0.020 0.000 2.402 559 S HA -0.227 4.246 4.470 0.005 0.000 0.233 559 S C 1.412 175.983 174.600 -0.047 0.000 1.030 559 S CA 1.293 59.478 58.200 -0.026 0.000 1.003 559 S CB -0.555 62.635 63.200 -0.016 0.000 0.813 559 S HN 0.486 nan 8.310 nan 0.000 0.477 560 E N -0.796 119.357 120.200 -0.078 0.000 2.320 560 E HA 0.096 4.449 4.350 0.005 0.000 0.189 560 E C -0.407 176.080 176.600 -0.188 0.000 1.100 560 E CA -0.147 56.178 56.400 -0.125 0.000 1.009 560 E CB -0.043 29.591 29.700 -0.109 0.000 1.145 560 E HN 0.728 nan 8.360 nan 0.000 0.454 561 W N -1.168 119.940 121.300 -0.319 0.000 1.262 561 W HA 0.194 4.858 4.660 0.005 0.000 0.190 561 W C 1.013 177.461 176.519 -0.119 0.000 0.745 561 W CA 0.240 57.404 57.345 -0.302 0.000 0.841 561 W CB 1.225 30.360 29.460 -0.542 0.000 0.861 561 W HN 0.219 nan 8.180 nan 0.000 0.455 562 G N 0.464 109.329 108.800 0.109 0.000 4.020 562 G HA2 -0.218 3.745 3.960 0.005 0.000 0.195 562 G HA3 -0.218 3.745 3.960 0.005 0.000 0.195 562 G C 0.469 175.523 174.900 0.257 0.000 1.819 562 G CA -0.323 44.933 45.100 0.260 0.000 1.109 562 G HN 0.117 nan 8.290 nan 0.000 0.385 563 M N 3.456 123.160 119.600 0.174 0.000 2.954 563 M HA 0.026 4.509 4.480 0.005 0.000 0.478 563 M C 0.259 176.567 176.300 0.012 0.000 1.601 563 M CA 0.760 56.100 55.300 0.066 0.000 1.212 563 M CB -0.953 31.635 32.600 -0.021 0.000 1.783 563 M HN 0.390 nan 8.290 nan 0.000 0.496 564 E N 6.523 126.720 120.200 -0.006 0.000 2.415 564 E HA 0.099 4.452 4.350 0.005 0.000 0.263 564 E C -2.105 174.414 176.600 -0.136 0.000 0.995 564 E CA -1.281 55.075 56.400 -0.073 0.000 0.915 564 E CB -0.063 29.581 29.700 -0.093 0.000 0.951 564 E HN 0.498 nan 8.360 nan 0.000 0.449 565 P HA -0.011 nan 4.420 nan 0.000 0.276 565 P C 0.366 177.522 177.300 -0.241 0.000 1.261 565 P CA -0.395 62.617 63.100 -0.147 0.000 0.800 565 P CB 0.881 32.525 31.700 -0.093 0.000 1.066 566 L N 0.779 121.821 121.223 -0.301 0.000 2.109 566 L HA -0.138 4.205 4.340 0.005 0.000 0.207 566 L C 2.338 179.066 176.870 -0.235 0.000 1.086 566 L CA 1.773 56.321 54.840 -0.487 0.000 0.760 566 L CB -1.214 40.515 42.059 -0.550 0.000 0.910 566 L HN 0.320 nan 8.230 nan 0.000 0.437 567 E N -0.693 119.451 120.200 -0.094 0.000 2.033 567 E HA -0.252 4.101 4.350 0.005 0.000 0.199 567 E C 0.719 177.352 176.600 0.056 0.000 1.011 567 E CA 1.443 57.858 56.400 0.025 0.000 0.815 567 E CB -1.180 28.488 29.700 -0.052 0.000 0.755 567 E HN 0.407 nan 8.360 nan 0.000 0.451 568 D N 0.530 120.924 120.400 -0.009 0.000 2.948 568 D HA 0.029 4.672 4.640 0.005 0.000 0.241 568 D C -0.975 175.356 176.300 0.052 0.000 1.198 568 D CA 0.250 54.254 54.000 0.008 0.000 0.926 568 D CB -1.008 39.779 40.800 -0.023 0.000 1.151 568 D HN 0.115 nan 8.370 nan 0.000 0.441 569 Y N 0.333 120.575 120.300 -0.097 0.000 2.350 569 Y HA 0.394 4.947 4.550 0.005 0.000 0.338 569 Y C -0.913 174.993 175.900 0.009 0.000 0.961 569 Y CA -1.711 56.301 58.100 -0.146 0.000 1.100 569 Y CB 1.324 39.510 38.460 -0.456 0.000 1.179 569 Y HN -0.144 nan 8.280 nan 0.000 0.454 570 V N 7.236 126.897 119.914 -0.422 0.000 2.305 570 V HA 0.405 4.528 4.120 0.005 0.000 0.275 570 V C -2.226 173.421 176.094 -0.744 0.000 1.020 570 V CA -1.742 60.293 62.300 -0.442 0.000 0.811 570 V CB 1.267 32.958 31.823 -0.219 0.000 1.031 570 V HN 0.665 nan 8.190 nan 0.000 0.439 571 P HA -0.197 nan 4.420 nan 0.000 0.218 571 P C 1.418 178.643 177.300 -0.126 0.000 1.149 571 P CA 1.863 64.623 63.100 -0.567 0.000 0.817 571 P CB -0.022 31.625 31.700 -0.088 0.000 0.785 572 H N -0.139 118.871 119.070 -0.101 0.000 2.495 572 H HA -0.008 4.551 4.556 0.005 0.000 0.287 572 H C 1.813 177.128 175.328 -0.023 0.000 1.033 572 H CA 1.038 57.071 56.048 -0.024 0.000 1.307 572 H CB -0.496 29.253 29.762 -0.021 0.000 1.401 572 H HN 0.192 nan 8.280 nan 0.000 0.555 573 Q N 1.104 120.463 119.800 -0.734 0.000 2.250 573 Q HA 0.076 4.419 4.340 0.005 0.000 0.200 573 Q C 0.200 176.079 176.000 -0.202 0.000 0.941 573 Q CA 0.625 56.103 55.803 -0.542 0.000 0.872 573 Q CB 0.674 29.070 28.738 -0.569 0.000 0.965 573 Q HN 0.268 nan 8.270 nan 0.000 0.480 574 S N 1.495 117.126 115.700 -0.116 0.000 2.080 574 S HA 0.255 4.728 4.470 0.005 0.000 0.162 574 S C -2.349 172.311 174.600 0.099 0.000 1.618 574 S CA -1.011 57.210 58.200 0.034 0.000 1.200 574 S CB 1.410 64.707 63.200 0.162 0.000 1.135 574 S HN 0.265 nan 8.310 nan 0.000 0.455 575 P HA 0.030 nan 4.420 nan 0.000 0.224 575 P C 0.631 177.975 177.300 0.074 0.000 1.157 575 P CA 0.687 63.842 63.100 0.092 0.000 0.799 575 P CB 0.141 31.890 31.700 0.083 0.000 0.809 576 D N -0.061 120.365 120.400 0.042 0.000 2.347 576 D HA 0.046 4.689 4.640 0.005 0.000 0.215 576 D C 0.778 177.082 176.300 0.006 0.000 0.976 576 D CA 0.297 54.311 54.000 0.023 0.000 0.884 576 D CB 0.026 40.831 40.800 0.009 0.000 0.915 576 D HN 0.116 nan 8.370 nan 0.000 0.526 577 A N 1.478 124.300 122.820 0.003 0.000 2.404 577 A HA 0.259 4.582 4.320 0.005 0.000 0.273 577 A C 0.511 178.064 177.584 -0.051 0.000 1.144 577 A CA -0.190 51.821 52.037 -0.043 0.000 0.806 577 A CB 0.247 19.211 19.000 -0.060 0.000 1.080 577 A HN -0.105 nan 8.150 nan 0.000 0.509 578 T N 3.612 118.144 114.554 -0.036 0.000 2.928 578 T HA 0.152 4.505 4.350 0.005 0.000 0.305 578 T C 0.716 175.372 174.700 -0.074 0.000 1.035 578 T CA 0.462 62.548 62.100 -0.023 0.000 1.145 578 T CB 0.017 68.903 68.868 0.031 0.000 0.963 578 T HN 0.658 nan 8.240 nan 0.000 0.545 579 R N 1.685 122.115 120.500 -0.117 0.000 2.490 579 R HA 0.555 4.898 4.340 0.005 0.000 0.278 579 R C -0.655 175.498 176.300 -0.244 0.000 1.069 579 R CA -0.664 55.314 56.100 -0.203 0.000 1.080 579 R CB 0.776 30.792 30.300 -0.473 0.000 1.030 579 R HN 0.322 nan 8.270 nan 0.000 0.491 580 V N 3.476 123.223 119.914 -0.278 0.000 2.604 580 V HA 0.466 4.589 4.120 0.005 0.000 0.305 580 V C -0.960 174.918 176.094 -0.360 0.000 1.043 580 V CA -0.593 61.583 62.300 -0.206 0.000 0.888 580 V CB 1.475 33.258 31.823 -0.066 0.000 0.995 580 V HN 0.530 nan 8.190 nan 0.000 0.429 581 F N 3.068 123.048 119.950 0.051 0.000 2.529 581 F HA 0.688 5.218 4.527 0.005 0.000 0.320 581 F C -0.254 175.534 175.800 -0.019 0.000 1.118 581 F CA -0.888 57.143 58.000 0.051 0.000 0.915 581 F CB 2.262 41.222 39.000 -0.067 0.000 1.161 581 F HN 0.142 nan 8.300 nan 0.000 0.445 582 V N 3.190 123.253 119.914 0.248 0.000 2.380 582 V HA 0.307 4.430 4.120 0.005 0.000 0.286 582 V C -0.640 175.447 176.094 -0.011 0.000 1.015 582 V CA -1.233 61.099 62.300 0.054 0.000 0.834 582 V CB 1.135 32.969 31.823 0.018 0.000 1.009 582 V HN 0.834 nan 8.190 nan 0.000 0.428 583 N N 3.835 122.335 118.700 -0.333 0.000 2.696 583 N HA -0.180 4.563 4.740 0.005 0.000 0.256 583 N C 1.074 176.467 175.510 -0.195 0.000 1.031 583 N CA 1.566 54.407 53.050 -0.349 0.000 0.730 583 N CB -0.961 37.478 38.487 -0.079 0.000 0.894 583 N HN 1.570 nan 8.380 nan 0.000 0.544 584 G N -2.199 106.423 108.800 -0.297 0.000 2.249 584 G HA2 -0.217 3.747 3.960 0.005 0.000 0.273 584 G HA3 -0.217 3.747 3.960 0.005 0.000 0.273 584 G C -0.121 174.964 174.900 0.309 0.000 1.036 584 G CA 0.416 45.543 45.100 0.045 0.000 0.824 584 G HN 0.632 nan 8.290 nan 0.000 0.504 585 V N -0.397 119.724 119.914 0.346 0.000 2.789 585 V HA 0.706 4.829 4.120 0.005 0.000 0.311 585 V C -0.655 175.702 176.094 0.438 0.000 1.073 585 V CA -1.130 61.348 62.300 0.298 0.000 0.921 585 V CB 2.101 33.927 31.823 0.005 0.000 1.009 585 V HN 0.350 nan 8.190 nan 0.000 0.426 586 W N 4.557 125.948 121.300 0.151 0.000 2.288 586 W HA 0.499 5.162 4.660 0.005 0.000 0.325 586 W C 0.962 177.353 176.519 -0.212 0.000 1.019 586 W CA -0.773 56.511 57.345 -0.100 0.000 1.403 586 W CB 0.299 29.785 29.460 0.044 0.000 1.226 586 W HN 0.725 nan 8.180 nan 0.000 0.391 587 H N 3.132 122.204 119.070 0.003 0.000 2.551 587 H HA 0.264 4.823 4.556 0.005 0.000 0.266 587 H C 1.260 176.404 175.328 -0.307 0.000 0.964 587 H CA 1.169 57.157 56.048 -0.100 0.000 1.180 587 H CB 0.759 30.500 29.762 -0.036 0.000 1.408 587 H HN 0.530 nan 8.280 nan 0.000 0.563 588 G N 0.132 108.662 108.800 -0.449 0.000 2.302 588 G HA2 0.042 4.005 3.960 0.005 0.000 0.276 588 G HA3 0.042 4.005 3.960 0.005 0.000 0.276 588 G C -1.573 173.041 174.900 -0.476 0.000 1.316 588 G CA -0.391 44.310 45.100 -0.666 0.000 0.988 588 G HN 0.081 nan 8.290 nan 0.000 0.479 589 V N -0.047 119.578 119.914 -0.483 0.000 2.960 589 V HA 0.844 4.967 4.120 0.005 0.000 0.315 589 V C -0.344 175.659 176.094 -0.151 0.000 1.087 589 V CA -0.621 61.440 62.300 -0.397 0.000 0.982 589 V CB 1.953 33.295 31.823 -0.802 0.000 1.039 589 V HN 1.169 nan 8.190 nan 0.000 0.437 590 H N 2.153 121.115 119.070 -0.179 0.000 2.851 590 H HA 0.707 5.266 4.556 0.005 0.000 0.372 590 H C -0.574 174.714 175.328 -0.066 0.000 1.158 590 H CA -0.833 55.157 56.048 -0.097 0.000 1.159 590 H CB 1.573 31.306 29.762 -0.049 0.000 1.757 590 H HN 0.697 nan 8.280 nan 0.000 0.546 591 R N 3.168 123.229 120.500 -0.731 0.000 2.514 591 R HA 0.424 4.767 4.340 0.005 0.000 0.301 591 R C -0.748 175.206 176.300 -0.577 0.000 0.962 591 R CA -1.014 54.809 56.100 -0.462 0.000 0.882 591 R CB 0.704 30.829 30.300 -0.291 0.000 1.143 591 R HN 0.710 nan 8.270 nan 0.000 0.452 592 N N 2.072 120.653 118.700 -0.199 0.000 2.699 592 N HA -0.082 4.661 4.740 0.005 0.000 0.257 592 N C -1.914 173.708 175.510 0.187 0.000 1.077 592 N CA 0.385 53.420 53.050 -0.025 0.000 0.702 592 N CB -0.221 38.260 38.487 -0.009 0.000 0.886 592 N HN 0.643 nan 8.380 nan 0.000 0.549 593 P HA 0.049 nan 4.420 nan 0.000 0.245 593 P C 1.066 178.451 177.300 0.140 0.000 1.212 593 P CA 0.699 63.964 63.100 0.275 0.000 0.774 593 P CB 0.201 32.017 31.700 0.194 0.000 0.999 594 A N 0.832 123.720 122.820 0.113 0.000 1.969 594 A HA -0.106 4.217 4.320 0.005 0.000 0.218 594 A C 2.330 179.963 177.584 0.082 0.000 1.169 594 A CA 1.161 53.245 52.037 0.078 0.000 0.635 594 A CB -0.791 18.245 19.000 0.061 0.000 0.810 594 A HN 0.092 nan 8.150 nan 0.000 0.445 595 R N -1.382 119.189 120.500 0.118 0.000 2.173 595 R HA 0.143 4.486 4.340 0.005 0.000 0.208 595 R C 1.981 178.365 176.300 0.140 0.000 1.035 595 R CA 0.711 56.893 56.100 0.136 0.000 1.004 595 R CB -0.275 30.128 30.300 0.171 0.000 0.917 595 R HN 0.487 nan 8.270 nan 0.000 0.462 596 L N 0.178 121.488 121.223 0.145 0.000 2.056 596 L HA -0.053 4.291 4.340 0.005 0.000 0.207 596 L C 2.002 178.844 176.870 -0.045 0.000 1.078 596 L CA 1.719 56.585 54.840 0.043 0.000 0.749 596 L CB -0.296 41.727 42.059 -0.059 0.000 0.901 596 L HN 0.080 nan 8.230 nan 0.000 0.433 597 M N 0.122 119.716 119.600 -0.010 0.000 2.059 597 M HA -0.200 4.283 4.480 0.005 0.000 0.259 597 M C 2.255 178.527 176.300 -0.047 0.000 1.072 597 M CA 2.112 57.393 55.300 -0.032 0.000 1.117 597 M CB -0.599 32.002 32.600 0.003 0.000 1.320 597 M HN 0.455 nan 8.290 nan 0.000 0.408 598 E N -0.986 119.207 120.200 -0.012 0.000 2.136 598 E HA -0.225 4.128 4.350 0.005 0.000 0.202 598 E C 1.671 178.240 176.600 -0.052 0.000 1.019 598 E CA 2.610 59.004 56.400 -0.010 0.000 0.819 598 E CB -0.525 29.189 29.700 0.024 0.000 0.739 598 E HN 0.565 nan 8.360 nan 0.000 0.458 599 T N 0.415 114.914 114.554 -0.092 0.000 2.777 599 T HA -0.048 4.305 4.350 0.005 0.000 0.266 599 T C 1.785 176.320 174.700 -0.274 0.000 1.040 599 T CA 1.100 63.078 62.100 -0.202 0.000 1.141 599 T CB -0.233 68.393 68.868 -0.402 0.000 0.868 599 T HN 0.108 nan 8.240 nan 0.000 0.444 600 L N 0.295 121.356 121.223 -0.269 0.000 1.955 600 L HA -0.176 4.167 4.340 0.005 0.000 0.213 600 L C 2.874 179.617 176.870 -0.211 0.000 1.072 600 L CA 1.525 56.188 54.840 -0.294 0.000 0.755 600 L CB -0.371 41.549 42.059 -0.232 0.000 0.888 600 L HN 0.106 nan 8.230 nan 0.000 0.432 601 R N -0.286 120.137 120.500 -0.129 0.000 2.162 601 R HA -0.216 4.127 4.340 0.005 0.000 0.245 601 R C 2.182 178.423 176.300 -0.098 0.000 1.129 601 R CA 2.432 58.481 56.100 -0.085 0.000 0.940 601 R CB -1.383 28.897 30.300 -0.034 0.000 0.875 601 R HN 0.350 nan 8.270 nan 0.000 0.437 602 T N 0.923 115.421 114.554 -0.093 0.000 2.822 602 T HA -0.126 4.227 4.350 0.005 0.000 0.270 602 T C 1.670 176.303 174.700 -0.111 0.000 1.064 602 T CA 1.252 63.303 62.100 -0.081 0.000 1.131 602 T CB -0.155 68.677 68.868 -0.060 0.000 0.858 602 T HN 0.135 nan 8.240 nan 0.000 0.483 603 L N -0.103 121.017 121.223 -0.171 0.000 2.240 603 L HA 0.082 4.425 4.340 0.005 0.000 0.211 603 L C 2.897 179.658 176.870 -0.182 0.000 1.106 603 L CA 0.825 55.544 54.840 -0.203 0.000 0.793 603 L CB -0.316 41.541 42.059 -0.337 0.000 0.927 603 L HN 0.117 nan 8.230 nan 0.000 0.446 604 R N 0.349 120.747 120.500 -0.170 0.000 2.080 604 R HA -0.022 4.321 4.340 0.005 0.000 0.222 604 R C 2.308 178.531 176.300 -0.129 0.000 1.107 604 R CA 0.669 56.676 56.100 -0.154 0.000 0.980 604 R CB 0.093 30.306 30.300 -0.144 0.000 0.879 604 R HN 0.239 nan 8.270 nan 0.000 0.439 605 R N 0.267 120.704 120.500 -0.105 0.000 2.189 605 R HA -0.077 4.266 4.340 0.005 0.000 0.223 605 R C 2.151 178.400 176.300 -0.085 0.000 1.092 605 R CA 1.013 57.061 56.100 -0.086 0.000 0.989 605 R CB -0.020 30.247 30.300 -0.055 0.000 0.876 605 R HN 0.122 nan 8.270 nan 0.000 0.457 606 K N -0.797 119.553 120.400 -0.083 0.000 2.243 606 K HA -0.048 4.275 4.320 0.005 0.000 0.201 606 K C 0.923 177.473 176.600 -0.082 0.000 1.051 606 K CA 1.126 57.371 56.287 -0.070 0.000 0.970 606 K CB 0.476 32.940 32.500 -0.059 0.000 0.755 606 K HN 0.311 nan 8.250 nan 0.000 0.465 607 G N 0.587 109.325 108.800 -0.103 0.000 2.255 607 G HA2 -0.198 3.765 3.960 0.005 0.000 0.196 607 G HA3 -0.198 3.765 3.960 0.005 0.000 0.196 607 G C 0.349 175.185 174.900 -0.108 0.000 0.998 607 G CA 0.306 45.339 45.100 -0.111 0.000 0.656 607 G HN 0.341 nan 8.290 nan 0.000 0.490 608 D N 0.076 120.413 120.400 -0.106 0.000 2.144 608 D HA 0.059 4.702 4.640 0.005 0.000 0.199 608 D C 1.050 177.272 176.300 -0.131 0.000 0.984 608 D CA 0.936 54.873 54.000 -0.104 0.000 0.834 608 D CB 0.239 40.978 40.800 -0.103 0.000 0.955 608 D HN 0.347 nan 8.370 nan 0.000 0.465 609 I N 1.090 121.561 120.570 -0.164 0.000 2.377 609 I HA 0.113 4.286 4.170 0.005 0.000 0.293 609 I C 0.153 176.171 176.117 -0.165 0.000 0.987 609 I CA -1.154 60.038 61.300 -0.180 0.000 1.185 609 I CB 0.920 38.778 38.000 -0.236 0.000 1.341 609 I HN -0.080 nan 8.210 nan 0.000 0.455 610 N N 9.073 127.680 118.700 -0.154 0.000 2.414 610 N HA 0.025 4.768 4.740 0.005 0.000 0.268 610 N C -1.797 173.594 175.510 -0.199 0.000 1.286 610 N CA -1.063 51.889 53.050 -0.163 0.000 0.896 610 N CB 0.915 39.316 38.487 -0.143 0.000 1.093 610 N HN 0.259 nan 8.380 nan 0.000 0.480 611 P HA -0.186 nan 4.420 nan 0.000 0.220 611 P C 0.609 177.709 177.300 -0.334 0.000 1.142 611 P CA 1.246 64.159 63.100 -0.312 0.000 0.801 611 P CB 0.254 31.660 31.700 -0.490 0.000 0.764 612 E N -0.807 119.201 120.200 -0.320 0.000 2.153 612 E HA -0.066 4.287 4.350 0.005 0.000 0.194 612 E C 0.481 176.909 176.600 -0.286 0.000 0.988 612 E CA 0.551 56.731 56.400 -0.366 0.000 0.811 612 E CB -0.208 29.342 29.700 -0.251 0.000 0.746 612 E HN 0.143 nan 8.360 nan 0.000 0.466 613 V N 2.065 121.867 119.914 -0.187 0.000 2.637 613 V HA 0.025 4.148 4.120 0.005 0.000 0.296 613 V C 0.395 176.438 176.094 -0.085 0.000 1.046 613 V CA -0.275 61.957 62.300 -0.112 0.000 1.066 613 V CB 1.238 32.998 31.823 -0.106 0.000 0.968 613 V HN 0.088 nan 8.190 nan 0.000 0.483 614 S N 5.454 121.146 115.700 -0.014 0.000 2.454 614 S HA 0.787 5.260 4.470 0.005 0.000 0.306 614 S C -0.822 173.816 174.600 0.063 0.000 1.100 614 S CA -0.817 57.395 58.200 0.019 0.000 1.087 614 S CB 1.160 64.379 63.200 0.031 0.000 1.019 614 S HN 0.613 nan 8.310 nan 0.000 0.480 615 M N 4.167 123.791 119.600 0.040 0.000 2.018 615 M HA 0.453 4.936 4.480 0.005 0.000 0.311 615 M C -1.376 174.958 176.300 0.057 0.000 0.928 615 M CA -0.166 55.155 55.300 0.035 0.000 0.911 615 M CB 1.167 33.758 32.600 -0.016 0.000 1.447 615 M HN 0.619 nan 8.290 nan 0.000 0.407 616 I N 2.497 123.117 120.570 0.084 0.000 2.442 616 I HA 0.384 4.558 4.170 0.005 0.000 0.279 616 I C 0.088 176.250 176.117 0.075 0.000 1.081 616 I CA -0.542 60.809 61.300 0.084 0.000 1.197 616 I CB 0.635 38.697 38.000 0.104 0.000 1.394 616 I HN 0.573 nan 8.210 nan 0.000 0.488 617 R N 3.928 124.462 120.500 0.057 0.000 2.347 617 R HA 0.133 4.476 4.340 0.005 0.000 0.304 617 R C -0.360 175.968 176.300 0.047 0.000 1.072 617 R CA -0.037 56.093 56.100 0.051 0.000 0.980 617 R CB 0.615 30.940 30.300 0.041 0.000 0.986 617 R HN 0.440 nan 8.270 nan 0.000 0.448 618 D N 6.922 127.352 120.400 0.049 0.000 2.505 618 D HA 0.085 4.728 4.640 0.005 0.000 0.242 618 D C 1.494 177.815 176.300 0.035 0.000 1.136 618 D CA -0.317 53.706 54.000 0.039 0.000 0.954 618 D CB 0.492 41.316 40.800 0.041 0.000 1.002 618 D HN 0.556 nan 8.370 nan 0.000 0.512 619 I N 1.894 122.481 120.570 0.029 0.000 2.103 619 I HA -0.384 3.789 4.170 0.005 0.000 0.241 619 I C 2.174 178.307 176.117 0.027 0.000 1.036 619 I CA 1.502 62.818 61.300 0.027 0.000 1.300 619 I CB -0.637 37.374 38.000 0.020 0.000 1.010 619 I HN 0.354 nan 8.210 nan 0.000 0.406 620 R N 0.385 120.899 120.500 0.023 0.000 2.090 620 R HA -0.141 4.202 4.340 0.005 0.000 0.228 620 R C 2.056 178.374 176.300 0.029 0.000 1.110 620 R CA 1.019 57.133 56.100 0.022 0.000 0.973 620 R CB -0.338 29.971 30.300 0.015 0.000 0.869 620 R HN 0.260 nan 8.270 nan 0.000 0.440 621 E N 1.490 121.709 120.200 0.032 0.000 2.482 621 E HA -0.051 4.302 4.350 0.005 0.000 0.196 621 E C -0.524 176.109 176.600 0.054 0.000 1.047 621 E CA 0.264 56.690 56.400 0.042 0.000 0.869 621 E CB -0.053 29.670 29.700 0.038 0.000 0.836 621 E HN -0.015 nan 8.360 nan 0.000 0.520 622 K N 1.367 121.794 120.400 0.045 0.000 3.689 622 K HA -0.218 4.105 4.320 0.005 0.000 0.276 622 K C -0.905 175.716 176.600 0.035 0.000 0.932 622 K CA 1.012 57.322 56.287 0.039 0.000 0.758 622 K CB -1.364 31.160 32.500 0.039 0.000 1.500 622 K HN 0.286 nan 8.250 nan 0.000 0.448 623 E N -0.142 120.090 120.200 0.053 0.000 2.429 623 E HA 0.619 4.972 4.350 0.005 0.000 0.276 623 E C -1.162 175.495 176.600 0.096 0.000 0.953 623 E CA -1.366 55.086 56.400 0.087 0.000 0.787 623 E CB 1.957 31.740 29.700 0.140 0.000 1.307 623 E HN 0.032 nan 8.360 nan 0.000 0.458 624 L N 1.455 122.758 121.223 0.135 0.000 2.563 624 L HA 0.278 4.621 4.340 0.005 0.000 0.259 624 L C -1.485 175.479 176.870 0.157 0.000 1.034 624 L CA -0.358 54.547 54.840 0.108 0.000 0.899 624 L CB 0.828 42.920 42.059 0.054 0.000 1.159 624 L HN 0.339 nan 8.230 nan 0.000 0.456 625 K N 6.434 126.939 120.400 0.174 0.000 2.273 625 K HA 0.496 4.819 4.320 0.005 0.000 0.287 625 K C -0.740 175.946 176.600 0.144 0.000 1.089 625 K CA -0.287 56.115 56.287 0.193 0.000 0.909 625 K CB 1.073 33.729 32.500 0.260 0.000 1.123 625 K HN 0.558 nan 8.250 nan 0.000 0.473 626 I N 3.428 124.029 120.570 0.052 0.000 2.307 626 I HA 0.286 4.460 4.170 0.005 0.000 0.289 626 I C -0.382 175.705 176.117 -0.051 0.000 1.021 626 I CA -0.671 60.640 61.300 0.019 0.000 1.224 626 I CB 0.227 38.204 38.000 -0.038 0.000 1.376 626 I HN 0.312 nan 8.210 nan 0.000 0.470 627 F N 3.517 123.465 119.950 -0.003 0.000 2.436 627 F HA 0.398 4.928 4.527 0.005 0.000 0.340 627 F C 0.823 176.598 175.800 -0.041 0.000 1.113 627 F CA -0.350 57.644 58.000 -0.009 0.000 1.022 627 F CB 2.085 41.075 39.000 -0.018 0.000 1.128 627 F HN 0.301 nan 8.300 nan 0.000 0.466 628 T N 2.307 116.940 114.554 0.131 0.000 3.658 628 T HA 0.159 4.512 4.350 0.005 0.000 0.245 628 T C -1.390 173.350 174.700 0.067 0.000 1.292 628 T CA -0.446 61.687 62.100 0.054 0.000 1.598 628 T CB -0.700 68.161 68.868 -0.012 0.000 0.861 628 T HN 0.535 nan 8.240 nan 0.000 0.663 629 D N 1.715 122.188 120.400 0.123 0.000 2.192 629 D HA 0.670 5.313 4.640 0.005 0.000 0.246 629 D C 0.170 176.500 176.300 0.050 0.000 1.042 629 D CA -0.381 53.680 54.000 0.101 0.000 0.847 629 D CB 1.756 42.659 40.800 0.172 0.000 1.186 629 D HN 0.520 nan 8.370 nan 0.000 0.461 630 A N 2.094 124.938 122.820 0.041 0.000 2.524 630 A HA 0.503 4.826 4.320 0.005 0.000 0.250 630 A C 1.266 178.873 177.584 0.038 0.000 1.078 630 A CA 0.592 52.651 52.037 0.037 0.000 0.761 630 A CB -0.406 18.620 19.000 0.043 0.000 1.012 630 A HN 1.127 nan 8.150 nan 0.000 0.500 631 G N 2.223 111.050 108.800 0.045 0.000 2.134 631 G HA2 -0.189 3.774 3.960 0.005 0.000 0.209 631 G HA3 -0.189 3.774 3.960 0.005 0.000 0.209 631 G C 0.267 175.168 174.900 0.000 0.000 0.993 631 G CA 0.157 45.277 45.100 0.034 0.000 0.669 631 G HN 0.925 nan 8.290 nan 0.000 0.519 632 R N -0.546 119.961 120.500 0.012 0.000 2.679 632 R HA 0.553 4.896 4.340 0.005 0.000 0.269 632 R C 0.531 176.887 176.300 0.093 0.000 1.076 632 R CA -0.141 55.947 56.100 -0.020 0.000 1.160 632 R CB 1.001 31.284 30.300 -0.028 0.000 1.054 632 R HN 0.120 nan 8.270 nan 0.000 0.507 633 V N 1.897 121.840 119.914 0.049 0.000 2.850 633 V HA 0.577 4.700 4.120 0.005 0.000 0.315 633 V C -0.693 175.586 176.094 0.308 0.000 1.064 633 V CA -0.650 61.754 62.300 0.173 0.000 0.979 633 V CB 1.190 33.104 31.823 0.152 0.000 1.039 633 V HN 0.884 nan 8.190 nan 0.000 0.452 634 Y N 1.175 121.495 120.300 0.034 0.000 2.732 634 Y HA 0.811 5.364 4.550 0.005 0.000 0.342 634 Y C -0.810 175.039 175.900 -0.085 0.000 1.203 634 Y CA -1.613 56.493 58.100 0.009 0.000 1.092 634 Y CB 1.224 39.714 38.460 0.051 0.000 1.345 634 Y HN 0.775 nan 8.280 nan 0.000 0.458 635 R N -0.147 120.275 120.500 -0.130 0.000 2.906 635 R HA 0.742 5.085 4.340 0.005 0.000 0.258 635 R C -2.772 173.295 176.300 -0.389 0.000 1.156 635 R CA -1.887 53.994 56.100 -0.365 0.000 0.996 635 R CB 0.847 30.992 30.300 -0.259 0.000 1.259 635 R HN 0.362 nan 8.270 nan 0.000 0.462 636 P HA -0.306 nan 4.420 nan 0.000 0.246 636 P C -0.272 176.872 177.300 -0.259 0.000 0.850 636 P CA 1.027 63.863 63.100 -0.441 0.000 1.109 636 P CB 0.040 31.528 31.700 -0.353 0.000 0.744 637 L N -3.124 118.027 121.223 -0.120 0.000 2.376 637 L HA 0.425 4.768 4.340 0.005 0.000 0.258 637 L C -0.211 176.665 176.870 0.010 0.000 1.013 637 L CA -1.090 53.690 54.840 -0.099 0.000 0.822 637 L CB 1.440 43.467 42.059 -0.054 0.000 1.388 637 L HN -0.002 nan 8.230 nan 0.000 0.413 638 F N 2.120 122.078 119.950 0.012 0.000 2.490 638 F HA 0.230 4.760 4.527 0.005 0.000 0.336 638 F C 0.599 176.445 175.800 0.077 0.000 1.178 638 F CA -0.351 57.670 58.000 0.035 0.000 1.301 638 F CB 0.960 39.992 39.000 0.053 0.000 1.175 638 F HN 0.255 nan 8.300 nan 0.000 0.593 639 I N 2.397 123.143 120.570 0.294 0.000 2.493 639 I HA 0.328 4.501 4.170 0.005 0.000 0.298 639 I C -1.063 175.145 176.117 0.152 0.000 0.998 639 I CA -0.827 60.605 61.300 0.220 0.000 1.137 639 I CB 1.934 40.016 38.000 0.137 0.000 1.310 639 I HN 0.085 nan 8.210 nan 0.000 0.445 640 V N 5.054 125.077 119.914 0.182 0.000 2.380 640 V HA 0.349 4.472 4.120 0.005 0.000 0.286 640 V C -0.401 175.754 176.094 0.101 0.000 1.015 640 V CA -0.528 61.840 62.300 0.113 0.000 0.834 640 V CB 1.438 33.338 31.823 0.128 0.000 1.009 640 V HN 0.690 nan 8.190 nan 0.000 0.428 641 E N 2.176 122.421 120.200 0.074 0.000 2.249 641 E HA 0.456 4.809 4.350 0.005 0.000 0.263 641 E C 0.145 176.775 176.600 0.050 0.000 0.950 641 E CA -0.553 55.884 56.400 0.061 0.000 0.827 641 E CB 1.630 31.361 29.700 0.051 0.000 1.220 641 E HN 0.715 nan 8.360 nan 0.000 0.411 642 D N 0.462 120.886 120.400 0.041 0.000 2.363 642 D HA -0.021 4.622 4.640 0.005 0.000 0.226 642 D C -0.470 175.827 176.300 -0.005 0.000 1.020 642 D CA 0.013 54.030 54.000 0.028 0.000 0.892 642 D CB -0.188 40.629 40.800 0.029 0.000 0.900 642 D HN 0.300 nan 8.370 nan 0.000 0.531 643 D N 1.691 122.092 120.400 0.001 0.000 2.641 643 D HA 0.006 4.649 4.640 0.005 0.000 0.241 643 D C -0.300 175.974 176.300 -0.042 0.000 1.182 643 D CA 0.727 54.719 54.000 -0.012 0.000 1.329 643 D CB -0.084 40.719 40.800 0.004 0.000 1.139 643 D HN 0.097 nan 8.370 nan 0.000 0.492 644 E N -0.046 120.106 120.200 -0.079 0.000 2.260 644 E HA 0.099 4.452 4.350 0.005 0.000 0.266 644 E C 0.302 176.832 176.600 -0.117 0.000 0.887 644 E CA -0.294 56.028 56.400 -0.130 0.000 0.777 644 E CB 1.935 31.473 29.700 -0.271 0.000 1.205 644 E HN 0.013 nan 8.360 nan 0.000 0.414 645 S N 2.205 117.854 115.700 -0.086 0.000 2.406 645 S HA -0.029 4.444 4.470 0.005 0.000 0.228 645 S C 1.061 175.616 174.600 -0.074 0.000 1.020 645 S CA 0.766 58.928 58.200 -0.063 0.000 0.965 645 S CB 0.185 63.359 63.200 -0.043 0.000 0.798 645 S HN 0.338 nan 8.310 nan 0.000 0.488 646 L N 1.668 122.830 121.223 -0.103 0.000 3.084 646 L HA 0.487 4.830 4.340 0.005 0.000 0.238 646 L C 0.453 177.219 176.870 -0.174 0.000 1.327 646 L CA 0.431 55.214 54.840 -0.095 0.000 1.094 646 L CB 0.407 42.435 42.059 -0.051 0.000 1.477 646 L HN 0.302 nan 8.230 nan 0.000 0.514 647 G N -0.240 108.421 108.800 -0.231 0.000 2.663 647 G HA2 0.045 4.008 3.960 0.005 0.000 0.686 647 G HA3 0.045 4.008 3.960 0.005 0.000 0.686 647 G C -0.374 174.126 174.900 -0.668 0.000 1.246 647 G CA -0.462 44.475 45.100 -0.271 0.000 0.795 647 G HN 1.015 nan 8.290 nan 0.000 0.627 648 H N -1.926 117.144 119.070 0.000 0.000 2.881 648 H HA -0.137 4.422 4.556 0.005 0.000 0.307 648 H C -0.060 175.273 175.328 0.007 0.000 1.064 648 H CA 0.788 56.838 56.048 0.003 0.000 1.094 648 H CB -0.661 29.098 29.762 -0.005 0.000 1.048 648 H HN 0.825 nan 8.280 nan 0.000 0.783 649 K N 0.981 121.522 120.400 0.235 0.000 2.237 649 K HA 0.377 4.700 4.320 0.005 0.000 0.270 649 K C 0.209 176.956 176.600 0.245 0.000 1.015 649 K CA 0.161 56.550 56.287 0.171 0.000 0.949 649 K CB 0.867 33.450 32.500 0.140 0.000 0.976 649 K HN 0.530 nan 8.250 nan 0.000 0.472 650 E N 1.569 121.851 120.200 0.136 0.000 2.433 650 E HA 0.331 4.684 4.350 0.005 0.000 0.278 650 E C -1.302 175.314 176.600 0.026 0.000 0.976 650 E CA -0.728 55.731 56.400 0.098 0.000 0.793 650 E CB 0.723 30.491 29.700 0.114 0.000 1.311 650 E HN 0.223 nan 8.360 nan 0.000 0.460 651 L N 2.871 124.076 121.223 -0.030 0.000 2.467 651 L HA 0.173 4.516 4.340 0.005 0.000 0.270 651 L C 1.469 178.308 176.870 -0.051 0.000 1.205 651 L CA 0.640 55.428 54.840 -0.086 0.000 0.828 651 L CB 0.429 42.355 42.059 -0.221 0.000 1.101 651 L HN 0.766 nan 8.230 nan 0.000 0.479 652 K N 1.062 121.439 120.400 -0.038 0.000 2.137 652 K HA 0.041 4.364 4.320 0.005 0.000 0.202 652 K C 0.288 176.922 176.600 0.056 0.000 1.052 652 K CA 0.277 56.575 56.287 0.018 0.000 0.961 652 K CB 0.236 32.763 32.500 0.044 0.000 0.741 652 K HN 0.418 nan 8.250 nan 0.000 0.452 653 V N 3.206 123.112 119.914 -0.014 0.000 2.763 653 V HA -0.018 4.105 4.120 0.005 0.000 0.306 653 V C 0.756 176.875 176.094 0.042 0.000 1.059 653 V CA 0.077 62.436 62.300 0.097 0.000 1.138 653 V CB 0.361 32.123 31.823 -0.103 0.000 0.940 653 V HN 0.201 nan 8.190 nan 0.000 0.489 654 R N 2.830 123.382 120.500 0.088 0.000 3.112 654 R HA 0.480 4.823 4.340 0.005 0.000 0.227 654 R C 1.049 177.342 176.300 -0.012 0.000 1.519 654 R CA -0.956 55.109 56.100 -0.059 0.000 1.051 654 R CB 0.319 30.502 30.300 -0.194 0.000 1.652 654 R HN 0.571 nan 8.270 nan 0.000 0.517 655 K N 0.319 120.699 120.400 -0.033 0.000 2.361 655 K HA 0.047 4.371 4.320 0.005 0.000 0.196 655 K C 1.583 178.184 176.600 0.002 0.000 1.039 655 K CA 0.861 57.154 56.287 0.011 0.000 1.001 655 K CB 0.027 32.532 32.500 0.008 0.000 0.795 655 K HN 0.668 nan 8.250 nan 0.000 0.495 656 G N 0.284 109.038 108.800 -0.075 0.000 2.402 656 G HA2 -0.214 3.749 3.960 0.005 0.000 0.216 656 G HA3 -0.214 3.749 3.960 0.005 0.000 0.216 656 G C 1.203 176.087 174.900 -0.026 0.000 1.162 656 G CA 0.505 45.549 45.100 -0.093 0.000 0.777 656 G HN 0.281 nan 8.290 nan 0.000 0.539 657 H N 0.054 119.138 119.070 0.022 0.000 2.321 657 H HA 0.011 4.570 4.556 0.005 0.000 0.300 657 H C 2.462 177.882 175.328 0.154 0.000 1.087 657 H CA 0.716 56.807 56.048 0.071 0.000 1.319 657 H CB -0.401 29.444 29.762 0.138 0.000 1.379 657 H HN 0.264 nan 8.280 nan 0.000 0.501 658 I N 0.889 121.621 120.570 0.270 0.000 2.850 658 I HA -0.161 4.012 4.170 0.005 0.000 0.266 658 I C 2.190 178.423 176.117 0.194 0.000 1.257 658 I CA 0.736 62.179 61.300 0.238 0.000 1.465 658 I CB -0.377 37.740 38.000 0.196 0.000 1.091 658 I HN 0.203 nan 8.210 nan 0.000 0.467 659 A N -0.353 122.554 122.820 0.145 0.000 1.871 659 A HA -0.074 4.249 4.320 0.005 0.000 0.211 659 A C 2.234 179.890 177.584 0.119 0.000 1.207 659 A CA 0.707 52.808 52.037 0.106 0.000 0.620 659 A CB -0.355 18.677 19.000 0.054 0.000 0.860 659 A HN 0.273 nan 8.150 nan 0.000 0.450 660 K N -0.091 120.359 120.400 0.082 0.000 2.218 660 K HA -0.081 4.242 4.320 0.005 0.000 0.205 660 K C 1.763 178.527 176.600 0.273 0.000 1.046 660 K CA 1.162 57.482 56.287 0.054 0.000 0.933 660 K CB -0.312 32.015 32.500 -0.289 0.000 0.728 660 K HN 0.442 nan 8.250 nan 0.000 0.454 661 L N 0.092 121.534 121.223 0.365 0.000 2.068 661 L HA -0.060 4.283 4.340 0.005 0.000 0.204 661 L C 2.042 179.078 176.870 0.277 0.000 1.076 661 L CA 1.099 56.185 54.840 0.410 0.000 0.753 661 L CB 0.026 42.309 42.059 0.375 0.000 0.910 661 L HN 0.271 nan 8.230 nan 0.000 0.439 662 M N -1.188 118.550 119.600 0.230 0.000 2.561 662 M HA 0.022 4.506 4.480 0.005 0.000 0.238 662 M C 1.835 178.252 176.300 0.195 0.000 1.131 662 M CA 0.244 55.664 55.300 0.199 0.000 1.046 662 M CB 0.038 32.739 32.600 0.169 0.000 1.532 662 M HN 0.225 nan 8.290 nan 0.000 0.497 663 A N 0.074 123.012 122.820 0.197 0.000 2.066 663 A HA -0.061 4.262 4.320 0.005 0.000 0.218 663 A C 2.018 179.733 177.584 0.218 0.000 1.157 663 A CA 1.498 53.657 52.037 0.205 0.000 0.670 663 A CB -0.596 18.503 19.000 0.166 0.000 0.804 663 A HN 0.428 nan 8.150 nan 0.000 0.453 664 T N -0.852 113.822 114.554 0.199 0.000 3.054 664 T HA 0.038 4.392 4.350 0.005 0.000 0.259 664 T C 1.551 176.339 174.700 0.146 0.000 1.092 664 T CA 0.885 63.083 62.100 0.162 0.000 1.121 664 T CB 0.105 69.068 68.868 0.159 0.000 0.912 664 T HN 0.593 nan 8.240 nan 0.000 0.489 665 E N 0.810 121.114 120.200 0.174 0.000 1.999 665 E HA -0.111 4.242 4.350 0.005 0.000 0.194 665 E C 1.836 178.536 176.600 0.166 0.000 0.995 665 E CA 1.031 57.529 56.400 0.163 0.000 0.825 665 E CB -0.349 29.458 29.700 0.178 0.000 0.777 665 E HN 0.449 nan 8.360 nan 0.000 0.459 666 Y N 1.829 122.173 120.300 0.072 0.000 2.133 666 Y HA -0.301 4.252 4.550 0.005 0.000 0.279 666 Y C 1.515 177.445 175.900 0.050 0.000 1.209 666 Y CA 1.727 59.861 58.100 0.057 0.000 1.152 666 Y CB -0.109 38.385 38.460 0.057 0.000 0.961 666 Y HN 0.053 nan 8.280 nan 0.000 0.512 667 Q N 1.512 121.277 119.800 -0.057 0.000 2.414 667 Q HA 0.091 4.435 4.340 0.005 0.000 0.286 667 Q C -0.849 175.116 176.000 -0.058 0.000 0.941 667 Q CA 0.087 55.806 55.803 -0.141 0.000 0.951 667 Q CB -0.107 28.603 28.738 -0.047 0.000 1.188 667 Q HN 0.480 nan 8.270 nan 0.000 0.418 679 Y N 3.337 123.677 120.300 0.067 0.000 2.717 679 Y HA 0.487 5.041 4.550 0.005 0.000 0.329 679 Y C -0.059 175.896 175.900 0.092 0.000 1.017 679 Y CA -0.026 58.116 58.100 0.070 0.000 1.275 679 Y CB 0.612 39.118 38.460 0.075 0.000 1.109 679 Y HN -0.004 nan 8.280 nan 0.000 0.511 680 T N 2.440 116.855 114.554 -0.230 0.000 2.864 680 T HA 0.003 4.356 4.350 0.005 0.000 0.276 680 T C 0.882 175.514 174.700 -0.114 0.000 1.006 680 T CA -0.643 61.407 62.100 -0.083 0.000 0.970 680 T CB 0.771 69.644 68.868 0.008 0.000 1.420 680 T HN 0.762 nan 8.240 nan 0.000 0.601 681 W N 0.412 121.642 121.300 -0.116 0.000 2.476 681 W HA -0.071 4.593 4.660 0.005 0.000 0.281 681 W C 1.914 178.397 176.519 -0.060 0.000 1.230 681 W CA 1.029 58.336 57.345 -0.062 0.000 1.287 681 W CB -0.469 29.013 29.460 0.037 0.000 1.108 681 W HN 0.572 nan 8.180 nan 0.000 0.567 682 S N 0.902 116.611 115.700 0.014 0.000 2.353 682 S HA -0.246 4.227 4.470 0.005 0.000 0.222 682 S C 2.128 176.593 174.600 -0.226 0.000 1.035 682 S CA 2.441 60.581 58.200 -0.100 0.000 1.025 682 S CB -0.635 62.560 63.200 -0.009 0.000 0.902 682 S HN 0.452 nan 8.310 nan 0.000 0.440 683 S N 2.122 117.686 115.700 -0.227 0.000 2.392 683 S HA -0.124 4.349 4.470 0.005 0.000 0.232 683 S C 1.819 176.216 174.600 -0.339 0.000 1.041 683 S CA 1.210 59.251 58.200 -0.265 0.000 1.026 683 S CB -0.913 62.077 63.200 -0.350 0.000 0.845 683 S HN 0.436 nan 8.310 nan 0.000 0.465 684 L N 0.166 121.100 121.223 -0.481 0.000 2.017 684 L HA -0.051 4.292 4.340 0.005 0.000 0.208 684 L C 2.669 179.298 176.870 -0.402 0.000 1.073 684 L CA 1.472 56.050 54.840 -0.437 0.000 0.745 684 L CB -0.598 41.150 42.059 -0.519 0.000 0.894 684 L HN 0.372 nan 8.230 nan 0.000 0.432 685 L N -0.527 120.388 121.223 -0.514 0.000 2.313 685 L HA -0.053 4.290 4.340 0.005 0.000 0.214 685 L C 1.975 178.696 176.870 -0.248 0.000 1.119 685 L CA 1.496 56.096 54.840 -0.399 0.000 0.809 685 L CB -0.653 41.129 42.059 -0.460 0.000 0.933 685 L HN 0.202 nan 8.230 nan 0.000 0.449 686 N N -0.125 118.447 118.700 -0.214 0.000 2.336 686 N HA -0.065 4.678 4.740 0.005 0.000 0.177 686 N C 1.361 176.812 175.510 -0.097 0.000 1.018 686 N CA 0.985 53.953 53.050 -0.137 0.000 0.878 686 N CB 0.081 38.504 38.487 -0.107 0.000 0.997 686 N HN 0.517 nan 8.380 nan 0.000 0.433 687 E N 0.283 120.427 120.200 -0.094 0.000 2.511 687 E HA 0.098 4.451 4.350 0.005 0.000 0.196 687 E C 0.252 176.811 176.600 -0.068 0.000 1.066 687 E CA -0.036 56.329 56.400 -0.058 0.000 0.871 687 E CB 0.015 29.690 29.700 -0.041 0.000 0.863 687 E HN 0.317 nan 8.360 nan 0.000 0.520 688 G N 1.631 110.369 108.800 -0.103 0.000 2.333 688 G HA2 -0.258 3.705 3.960 0.005 0.000 0.296 688 G HA3 -0.258 3.705 3.960 0.005 0.000 0.296 688 G C 0.452 175.320 174.900 -0.053 0.000 1.059 688 G CA 0.210 45.260 45.100 -0.084 0.000 1.050 688 G HN 0.279 nan 8.290 nan 0.000 0.508 689 L N -1.850 119.329 121.223 -0.075 0.000 2.556 689 L HA 0.372 4.715 4.340 0.005 0.000 0.226 689 L C 0.748 177.648 176.870 0.050 0.000 1.089 689 L CA 0.066 54.900 54.840 -0.010 0.000 0.864 689 L CB 0.350 42.394 42.059 -0.024 0.000 1.067 689 L HN 0.191 nan 8.230 nan 0.000 0.477 690 V N 0.868 120.755 119.914 -0.044 0.000 2.709 690 V HA 0.331 4.455 4.120 0.005 0.000 0.308 690 V C -0.765 175.300 176.094 -0.047 0.000 1.062 690 V CA -0.621 61.658 62.300 -0.035 0.000 0.901 690 V CB 2.403 34.082 31.823 -0.240 0.000 1.003 690 V HN 0.307 nan 8.190 nan 0.000 0.425 691 E N 3.376 123.577 120.200 0.003 0.000 2.312 691 E HA 0.567 4.921 4.350 0.005 0.000 0.267 691 E C -1.649 175.067 176.600 0.193 0.000 0.894 691 E CA -0.943 55.495 56.400 0.063 0.000 0.773 691 E CB 2.024 31.701 29.700 -0.040 0.000 1.241 691 E HN 0.586 nan 8.360 nan 0.000 0.432 692 Y N 1.703 121.991 120.300 -0.019 0.000 2.452 692 Y HA 0.240 4.793 4.550 0.005 0.000 0.348 692 Y C -0.107 175.824 175.900 0.052 0.000 0.985 692 Y CA -1.058 57.105 58.100 0.106 0.000 1.214 692 Y CB 0.732 39.336 38.460 0.240 0.000 1.136 692 Y HN 0.265 nan 8.280 nan 0.000 0.523 693 I N 4.876 125.544 120.570 0.163 0.000 2.336 693 I HA 0.094 4.267 4.170 0.005 0.000 0.292 693 I C 0.039 176.260 176.117 0.173 0.000 0.991 693 I CA -0.701 60.665 61.300 0.109 0.000 1.227 693 I CB 1.127 39.161 38.000 0.058 0.000 1.366 693 I HN 0.655 nan 8.210 nan 0.000 0.466 694 D N 5.353 125.838 120.400 0.142 0.000 2.340 694 D HA 0.296 4.939 4.640 0.005 0.000 0.251 694 D C 0.800 177.170 176.300 0.116 0.000 1.080 694 D CA -0.449 53.638 54.000 0.146 0.000 0.971 694 D CB 2.139 42.985 40.800 0.076 0.000 1.137 694 D HN 0.486 nan 8.370 nan 0.000 0.475 695 A N 1.550 124.444 122.820 0.123 0.000 1.948 695 A HA -0.265 4.059 4.320 0.005 0.000 0.220 695 A C 2.019 179.715 177.584 0.187 0.000 1.177 695 A CA 2.189 54.317 52.037 0.152 0.000 0.636 695 A CB -0.841 18.255 19.000 0.159 0.000 0.815 695 A HN 0.767 nan 8.150 nan 0.000 0.449 696 E N -0.370 119.889 120.200 0.100 0.000 2.106 696 E HA -0.184 4.169 4.350 0.005 0.000 0.192 696 E C 1.957 178.588 176.600 0.052 0.000 0.984 696 E CA 1.523 57.942 56.400 0.032 0.000 0.806 696 E CB -0.146 29.463 29.700 -0.153 0.000 0.750 696 E HN 0.742 nan 8.360 nan 0.000 0.458 697 E N -0.104 120.136 120.200 0.065 0.000 2.158 697 E HA -0.172 4.181 4.350 0.005 0.000 0.191 697 E C 1.799 178.470 176.600 0.118 0.000 0.982 697 E CA 0.581 57.034 56.400 0.088 0.000 0.823 697 E CB 0.024 29.778 29.700 0.089 0.000 0.766 697 E HN 0.291 nan 8.360 nan 0.000 0.468 698 E N 0.607 120.887 120.200 0.133 0.000 2.114 698 E HA -0.253 4.100 4.350 0.005 0.000 0.199 698 E C 1.760 178.426 176.600 0.111 0.000 1.008 698 E CA 1.174 57.658 56.400 0.141 0.000 0.810 698 E CB 0.073 29.861 29.700 0.147 0.000 0.739 698 E HN 0.184 nan 8.360 nan 0.000 0.456 699 E N -0.186 120.086 120.200 0.120 0.000 2.339 699 E HA -0.170 4.183 4.350 0.005 0.000 0.201 699 E C 1.095 177.726 176.600 0.052 0.000 1.015 699 E CA 1.331 57.791 56.400 0.100 0.000 0.841 699 E CB -0.060 29.694 29.700 0.090 0.000 0.754 699 E HN 0.225 nan 8.360 nan 0.000 0.508 700 S N -0.217 115.512 115.700 0.049 0.000 2.740 700 S HA 0.274 4.748 4.470 0.005 0.000 0.244 700 S C 0.175 174.776 174.600 0.002 0.000 1.101 700 S CA -0.815 57.398 58.200 0.022 0.000 1.123 700 S CB -0.256 62.961 63.200 0.029 0.000 1.012 700 S HN 0.183 nan 8.310 nan 0.000 0.491 701 I N -1.392 119.172 120.570 -0.009 0.000 3.042 701 I HA 0.747 4.920 4.170 0.005 0.000 0.310 701 I C -1.930 174.114 176.117 -0.123 0.000 1.117 701 I CA -1.443 59.810 61.300 -0.079 0.000 1.003 701 I CB 1.852 39.819 38.000 -0.055 0.000 1.228 701 I HN 0.203 nan 8.210 nan 0.000 0.443 702 L N 4.625 125.728 121.223 -0.200 0.000 2.313 702 L HA 0.616 4.959 4.340 0.005 0.000 0.283 702 L C -0.676 176.092 176.870 -0.171 0.000 1.013 702 L CA -0.611 54.066 54.840 -0.270 0.000 0.816 702 L CB 0.971 42.777 42.059 -0.421 0.000 1.236 702 L HN 0.478 nan 8.230 nan 0.000 0.419 703 I N 3.636 124.161 120.570 -0.075 0.000 2.562 703 I HA 0.674 4.847 4.170 0.005 0.000 0.301 703 I C -0.126 176.191 176.117 0.333 0.000 1.003 703 I CA -0.946 60.444 61.300 0.149 0.000 1.127 703 I CB 2.004 40.074 38.000 0.118 0.000 1.304 703 I HN 0.706 nan 8.210 nan 0.000 0.446 704 A N 4.624 127.697 122.820 0.422 0.000 2.318 704 A HA 0.504 4.827 4.320 0.005 0.000 0.317 704 A C 0.473 178.140 177.584 0.140 0.000 1.159 704 A CA -0.551 51.693 52.037 0.346 0.000 0.799 704 A CB 1.379 20.380 19.000 0.003 0.000 1.194 704 A HN 0.732 nan 8.150 nan 0.000 0.479 705 M N 0.812 120.457 119.600 0.076 0.000 2.115 705 M HA -0.110 4.373 4.480 0.005 0.000 0.258 705 M C 0.953 177.228 176.300 -0.040 0.000 1.071 705 M CA 1.940 57.242 55.300 0.003 0.000 1.100 705 M CB -0.816 31.749 32.600 -0.058 0.000 1.292 705 M HN 0.775 nan 8.290 nan 0.000 0.415 706 Q N -0.302 119.458 119.800 -0.067 0.000 2.282 706 Q HA 0.258 4.601 4.340 0.005 0.000 0.260 706 Q C -1.850 174.105 176.000 -0.075 0.000 0.964 706 Q CA -1.668 54.091 55.803 -0.073 0.000 0.880 706 Q CB 1.435 30.123 28.738 -0.085 0.000 1.286 706 Q HN 0.126 nan 8.270 nan 0.000 0.445 707 P HA -0.044 nan 4.420 nan 0.000 0.255 707 P C -0.437 176.807 177.300 -0.094 0.000 1.248 707 P CA 0.454 63.514 63.100 -0.068 0.000 0.807 707 P CB 0.596 32.289 31.700 -0.012 0.000 1.150 708 E N -0.366 119.789 120.200 -0.075 0.000 2.430 708 E HA 0.059 4.413 4.350 0.005 0.000 0.253 708 E C 0.992 177.539 176.600 -0.089 0.000 0.903 708 E CA -0.258 56.104 56.400 -0.063 0.000 1.082 708 E CB -1.218 28.471 29.700 -0.019 0.000 1.751 708 E HN -0.273 nan 8.360 nan 0.000 0.530 709 D N 0.106 120.458 120.400 -0.080 0.000 2.413 709 D HA 0.008 4.651 4.640 0.005 0.000 0.262 709 D C 0.732 176.879 176.300 -0.255 0.000 1.254 709 D CA 0.314 54.251 54.000 -0.106 0.000 0.942 709 D CB 0.137 40.890 40.800 -0.079 0.000 0.937 709 D HN 0.219 nan 8.370 nan 0.000 0.508 710 L N -0.269 120.808 121.223 -0.243 0.000 2.547 710 L HA 0.095 4.438 4.340 0.005 0.000 0.218 710 L C 0.706 177.412 176.870 -0.273 0.000 1.048 710 L CA 0.476 55.110 54.840 -0.343 0.000 0.859 710 L CB 0.463 42.330 42.059 -0.320 0.000 1.128 710 L HN 0.020 nan 8.230 nan 0.000 0.483 711 E N 0.131 120.202 120.200 -0.215 0.000 3.385 711 E HA 0.297 4.650 4.350 0.005 0.000 0.206 711 E C -2.494 174.018 176.600 -0.146 0.000 0.997 711 E CA -1.313 54.983 56.400 -0.174 0.000 1.278 711 E CB 0.345 29.860 29.700 -0.309 0.000 1.165 711 E HN 0.264 nan 8.360 nan 0.000 0.452 712 P HA 0.389 nan 4.420 nan 0.000 0.317 712 P C -0.457 176.770 177.300 -0.121 0.000 1.301 712 P CA -0.685 62.344 63.100 -0.118 0.000 0.799 712 P CB 0.822 32.497 31.700 -0.042 0.000 1.344 713 A N -0.140 122.601 122.820 -0.132 0.000 2.440 713 A HA 0.160 4.483 4.320 0.005 0.000 0.251 713 A C 0.204 177.703 177.584 -0.141 0.000 1.089 713 A CA -0.219 51.742 52.037 -0.127 0.000 0.779 713 A CB -0.591 18.358 19.000 -0.085 0.000 1.022 713 A HN 0.464 nan 8.150 nan 0.000 0.492 714 E N 0.837 120.911 120.200 -0.211 0.000 2.105 714 E HA 0.475 4.828 4.350 0.005 0.000 0.285 714 E C 0.048 176.579 176.600 -0.116 0.000 1.055 714 E CA 0.048 56.310 56.400 -0.230 0.000 0.843 714 E CB 1.066 30.561 29.700 -0.340 0.000 1.067 714 E HN 0.744 nan 8.360 nan 0.000 0.398 723 V N 2.164 122.096 119.914 0.030 0.000 2.838 723 V HA 0.284 4.407 4.120 0.005 0.000 0.356 723 V C -0.157 175.959 176.094 0.036 0.000 1.302 723 V CA -0.310 62.010 62.300 0.034 0.000 1.495 723 V CB -0.506 31.338 31.823 0.034 0.000 1.505 723 V HN 0.365 nan 8.190 nan 0.000 0.574 724 D N 3.350 123.771 120.400 0.036 0.000 8.267 724 D HA -0.161 4.482 4.640 0.005 0.000 0.138 724 D C -1.164 175.161 176.300 0.041 0.000 1.262 724 D CA -0.049 53.974 54.000 0.039 0.000 0.885 724 D CB 0.636 41.462 40.800 0.043 0.000 1.723 724 D HN 0.266 nan 8.370 nan 0.000 0.984 725 P HA -0.138 nan 4.420 nan 0.000 0.222 725 P C 0.890 178.215 177.300 0.043 0.000 1.142 725 P CA 1.692 64.815 63.100 0.037 0.000 0.788 725 P CB 0.154 31.873 31.700 0.033 0.000 0.767 726 A N -1.048 121.800 122.820 0.048 0.000 2.021 726 A HA -0.030 4.293 4.320 0.005 0.000 0.216 726 A C 1.004 178.629 177.584 0.069 0.000 1.163 726 A CA 0.502 52.572 52.037 0.056 0.000 0.676 726 A CB -0.451 18.582 19.000 0.055 0.000 0.818 726 A HN 0.075 nan 8.150 nan 0.000 0.453 727 K N 2.271 122.711 120.400 0.067 0.000 2.416 727 K HA 0.093 4.416 4.320 0.005 0.000 0.283 727 K C 0.218 176.859 176.600 0.069 0.000 1.037 727 K CA -0.271 56.062 56.287 0.076 0.000 0.995 727 K CB 0.583 33.124 32.500 0.068 0.000 0.938 727 K HN 0.664 nan 8.250 nan 0.000 0.475 728 R N 1.763 122.309 120.500 0.078 0.000 2.862 728 R HA -0.008 4.335 4.340 0.005 0.000 0.267 728 R C -0.094 176.238 176.300 0.054 0.000 0.995 728 R CA 0.005 56.142 56.100 0.062 0.000 1.140 728 R CB 0.143 30.479 30.300 0.060 0.000 1.031 728 R HN 0.342 nan 8.270 nan 0.000 0.459 729 I N 2.115 122.712 120.570 0.045 0.000 2.307 729 I HA 0.274 4.447 4.170 0.005 0.000 0.287 729 I C 0.519 176.658 176.117 0.037 0.000 1.054 729 I CA -0.534 60.790 61.300 0.040 0.000 1.218 729 I CB 0.673 38.694 38.000 0.036 0.000 1.398 729 I HN 0.604 nan 8.210 nan 0.000 0.475 730 R N 3.953 124.473 120.500 0.034 0.000 2.349 730 R HA 0.351 4.694 4.340 0.005 0.000 0.299 730 R C 1.328 177.644 176.300 0.027 0.000 1.027 730 R CA -0.399 55.715 56.100 0.023 0.000 0.958 730 R CB 1.852 32.157 30.300 0.009 0.000 1.047 730 R HN 0.506 nan 8.270 nan 0.000 0.468 731 V N 0.654 120.587 119.914 0.032 0.000 2.250 731 V HA -0.147 3.976 4.120 0.005 0.000 0.240 731 V C 0.768 176.920 176.094 0.098 0.000 1.025 731 V CA 1.329 63.666 62.300 0.062 0.000 0.999 731 V CB -0.775 31.083 31.823 0.059 0.000 0.646 731 V HN 0.696 nan 8.190 nan 0.000 0.470 732 S N -3.396 112.371 115.700 0.110 0.000 2.645 732 S HA 0.419 4.892 4.470 0.005 0.000 0.268 732 S C 0.071 174.734 174.600 0.106 0.000 1.110 732 S CA -0.009 58.271 58.200 0.134 0.000 0.823 732 S CB 0.835 64.168 63.200 0.222 0.000 1.091 732 S HN 0.630 nan 8.310 nan 0.000 0.466 733 H N 1.121 120.188 119.070 -0.004 0.000 2.456 733 H HA 0.101 4.660 4.556 0.005 0.000 0.296 733 H C 0.476 175.883 175.328 0.131 0.000 1.079 733 H CA 1.555 57.621 56.048 0.030 0.000 1.322 733 H CB -0.442 29.297 29.762 -0.038 0.000 1.388 733 H HN 0.480 nan 8.280 nan 0.000 0.538 734 H N 0.995 120.186 119.070 0.201 0.000 3.012 734 H HA 0.041 4.600 4.556 0.005 0.000 0.227 734 H C 0.440 175.829 175.328 0.103 0.000 0.720 734 H CA 1.097 57.216 56.048 0.118 0.000 1.490 734 H CB -0.886 28.914 29.762 0.064 0.000 1.343 734 H HN 0.637 nan 8.280 nan 0.000 0.455 735 A N 2.982 125.925 122.820 0.205 0.000 2.410 735 A HA -0.007 4.316 4.320 0.005 0.000 0.678 735 A C 0.729 178.409 177.584 0.161 0.000 0.143 735 A CA 0.156 52.232 52.037 0.066 0.000 0.070 735 A CB -0.792 18.125 19.000 -0.138 0.000 3.924 735 A HN 0.666 nan 8.150 nan 0.000 0.543 736 T N 0.219 114.815 114.554 0.071 0.000 3.058 736 T HA 0.297 4.650 4.350 0.005 0.000 0.278 736 T C 1.274 176.071 174.700 0.162 0.000 0.974 736 T CA 1.896 64.093 62.100 0.161 0.000 0.893 736 T CB -0.069 68.855 68.868 0.094 0.000 1.138 736 T HN 1.262 nan 8.240 nan 0.000 0.529 737 T N 0.230 114.804 114.554 0.034 0.000 3.034 737 T HA 0.308 4.661 4.350 0.005 0.000 0.248 737 T C 0.362 175.108 174.700 0.077 0.000 1.040 737 T CA -0.398 61.715 62.100 0.021 0.000 1.107 737 T CB -0.415 68.416 68.868 -0.062 0.000 0.932 737 T HN 0.329 nan 8.240 nan 0.000 0.474 738 F N 3.409 123.345 119.950 -0.025 0.000 1.950 738 F HA -0.231 4.299 4.527 0.005 0.000 0.126 738 F C 1.820 177.576 175.800 -0.073 0.000 0.984 738 F CA 0.519 58.495 58.000 -0.040 0.000 0.596 738 F CB -1.110 37.887 39.000 -0.006 0.000 0.680 738 F HN 0.287 nan 8.300 nan 0.000 0.750 739 T N -0.279 114.231 114.554 -0.073 0.000 2.894 739 T HA 0.077 4.430 4.350 0.005 0.000 0.258 739 T C 0.156 174.707 174.700 -0.249 0.000 1.043 739 T CA 1.410 63.360 62.100 -0.251 0.000 1.141 739 T CB -0.081 68.432 68.868 -0.592 0.000 0.873 739 T HN 0.682 nan 8.240 nan 0.000 0.449 740 H N -1.551 117.614 119.070 0.158 0.000 3.079 740 H HA 0.674 5.233 4.556 0.005 0.000 0.356 740 H C -1.204 174.253 175.328 0.215 0.000 1.221 740 H CA -1.339 54.811 56.048 0.171 0.000 1.185 740 H CB 0.615 30.464 29.762 0.145 0.000 1.882 740 H HN 0.303 nan 8.280 nan 0.000 0.543 741 C N 1.450 120.964 119.300 0.355 0.000 2.335 741 C HA 0.561 5.024 4.460 0.005 0.000 0.363 741 C C 0.304 175.484 174.990 0.316 0.000 1.198 741 C CA -0.101 59.095 59.018 0.297 0.000 2.279 741 C CB 0.559 28.418 27.740 0.198 0.000 2.334 741 C HN 0.942 nan 8.230 nan 0.000 0.559 742 E N 1.798 122.138 120.200 0.234 0.000 2.301 742 E HA 0.298 4.651 4.350 0.005 0.000 0.275 742 E C 0.920 177.574 176.600 0.090 0.000 1.030 742 E CA -0.277 56.209 56.400 0.143 0.000 0.852 742 E CB 0.579 30.354 29.700 0.126 0.000 1.060 742 E HN 0.491 nan 8.360 nan 0.000 0.401 743 I N 2.059 122.529 120.570 -0.166 0.000 2.133 743 I HA -0.094 4.079 4.170 0.005 0.000 0.238 743 I C 0.669 176.681 176.117 -0.175 0.000 1.074 743 I CA 1.447 62.487 61.300 -0.433 0.000 1.342 743 I CB -0.755 36.861 38.000 -0.641 0.000 1.053 743 I HN 0.616 nan 8.210 nan 0.000 0.404 744 H N -0.549 118.341 119.070 -0.301 0.000 3.129 744 H HA 0.208 4.767 4.556 0.005 0.000 0.342 744 H C -2.282 172.945 175.328 -0.168 0.000 1.092 744 H CA -0.931 54.966 56.048 -0.252 0.000 1.310 744 H CB 2.268 31.705 29.762 -0.542 0.000 1.932 744 H HN -0.258 nan 8.280 nan 0.000 0.507 745 P HA -0.093 nan 4.420 nan 0.000 0.225 745 P C 1.312 178.707 177.300 0.158 0.000 1.156 745 P CA 1.281 64.369 63.100 -0.020 0.000 0.787 745 P CB 0.200 31.729 31.700 -0.286 0.000 0.802 746 S N -0.442 115.602 115.700 0.575 0.000 2.423 746 S HA -0.181 4.292 4.470 0.005 0.000 0.238 746 S C 1.667 176.374 174.600 0.177 0.000 1.028 746 S CA 1.195 59.693 58.200 0.496 0.000 1.000 746 S CB -1.292 62.202 63.200 0.491 0.000 0.797 746 S HN -0.001 nan 8.310 nan 0.000 0.487 747 M N 1.549 121.174 119.600 0.042 0.000 2.740 747 M HA 0.203 4.686 4.480 0.005 0.000 0.230 747 M C 1.393 177.579 176.300 -0.189 0.000 1.100 747 M CA 0.243 55.498 55.300 -0.075 0.000 1.047 747 M CB -1.261 31.240 32.600 -0.164 0.000 1.652 747 M HN 0.601 nan 8.290 nan 0.000 0.528 748 I N -2.819 117.601 120.570 -0.249 0.000 3.251 748 I HA 0.083 4.256 4.170 0.005 0.000 0.277 748 I C 0.680 176.651 176.117 -0.243 0.000 1.268 748 I CA 0.358 61.401 61.300 -0.428 0.000 1.449 748 I CB -0.478 37.011 38.000 -0.852 0.000 1.083 748 I HN -0.030 nan 8.210 nan 0.000 0.464 749 L N 0.999 122.153 121.223 -0.114 0.000 2.416 749 L HA 0.611 4.954 4.340 0.005 0.000 0.262 749 L C 1.311 178.142 176.870 -0.065 0.000 1.093 749 L CA -0.441 54.357 54.840 -0.069 0.000 0.801 749 L CB 0.823 42.872 42.059 -0.016 0.000 1.191 749 L HN 0.250 nan 8.230 nan 0.000 0.459 750 G N 0.253 109.013 108.800 -0.067 0.000 2.514 750 G HA2 0.275 4.238 3.960 0.005 0.000 0.245 750 G HA3 0.275 4.238 3.960 0.005 0.000 0.245 750 G C 0.687 175.562 174.900 -0.041 0.000 1.488 750 G CA -0.381 44.682 45.100 -0.062 0.000 1.063 750 G HN 0.377 nan 8.290 nan 0.000 0.557 751 V N 0.217 120.103 119.914 -0.047 0.000 3.565 751 V HA 0.199 4.322 4.120 0.005 0.000 0.260 751 V C 2.518 178.567 176.094 -0.075 0.000 1.231 751 V CA 1.294 63.568 62.300 -0.044 0.000 1.100 751 V CB 0.339 32.141 31.823 -0.035 0.000 0.807 751 V HN 0.741 nan 8.190 nan 0.000 0.454 752 A N -0.031 122.739 122.820 -0.083 0.000 1.997 752 A HA 0.382 4.705 4.320 0.005 0.000 0.212 752 A C 2.169 179.679 177.584 -0.124 0.000 1.178 752 A CA 1.182 53.157 52.037 -0.104 0.000 0.698 752 A CB -0.204 18.748 19.000 -0.081 0.000 0.842 752 A HN 0.457 nan 8.150 nan 0.000 0.458 753 A N 0.228 122.990 122.820 -0.097 0.000 2.132 753 A HA 0.126 4.449 4.320 0.005 0.000 0.213 753 A C 2.059 179.588 177.584 -0.091 0.000 1.154 753 A CA 1.410 53.395 52.037 -0.087 0.000 0.753 753 A CB -0.481 18.479 19.000 -0.067 0.000 0.826 753 A HN 0.632 nan 8.150 nan 0.000 0.469 754 S N -0.624 115.020 115.700 -0.092 0.000 2.603 754 S HA 0.095 4.568 4.470 0.005 0.000 0.220 754 S C 1.254 175.763 174.600 -0.153 0.000 0.967 754 S CA 0.424 58.574 58.200 -0.084 0.000 0.920 754 S CB -0.311 62.870 63.200 -0.030 0.000 0.773 754 S HN 0.328 nan 8.310 nan 0.000 0.529 755 I N 1.289 121.726 120.570 -0.222 0.000 3.251 755 I HA 0.238 4.411 4.170 0.005 0.000 0.277 755 I C 0.285 176.239 176.117 -0.273 0.000 1.268 755 I CA 0.145 61.228 61.300 -0.361 0.000 1.449 755 I CB -0.069 37.585 38.000 -0.576 0.000 1.083 755 I HN 0.241 nan 8.210 nan 0.000 0.464 756 I N 3.719 124.179 120.570 -0.183 0.000 2.471 756 I HA 0.125 4.298 4.170 0.005 0.000 0.286 756 I C -2.018 174.055 176.117 -0.073 0.000 1.079 756 I CA -1.628 59.591 61.300 -0.135 0.000 1.398 756 I CB 0.333 38.287 38.000 -0.076 0.000 1.403 756 I HN -0.056 nan 8.210 nan 0.000 0.530 757 P HA 0.197 nan 4.420 nan 0.000 0.287 757 P C -0.557 176.956 177.300 0.355 0.000 1.281 757 P CA -0.274 62.891 63.100 0.108 0.000 0.781 757 P CB 0.386 32.233 31.700 0.245 0.000 0.903 758 F N 2.301 122.275 119.950 0.039 0.000 2.983 758 F HA -0.157 4.373 4.527 0.005 0.000 0.288 758 F C -0.995 174.866 175.800 0.101 0.000 0.980 758 F CA 0.105 58.160 58.000 0.092 0.000 0.965 758 F CB -2.155 36.886 39.000 0.068 0.000 0.967 758 F HN 0.344 nan 8.300 nan 0.000 0.800 759 P HA -0.191 nan 4.420 nan 0.000 0.220 759 P C 1.464 178.807 177.300 0.072 0.000 1.148 759 P CA 2.052 65.207 63.100 0.091 0.000 0.803 759 P CB 0.045 31.743 31.700 -0.003 0.000 0.782 760 D N -0.687 119.702 120.400 -0.017 0.000 2.264 760 D HA -0.204 4.439 4.640 0.005 0.000 0.208 760 D C 1.310 177.582 176.300 -0.046 0.000 0.966 760 D CA 1.047 55.000 54.000 -0.078 0.000 0.864 760 D CB -1.167 39.451 40.800 -0.303 0.000 0.933 760 D HN 0.334 nan 8.370 nan 0.000 0.499 761 H N -0.135 118.991 119.070 0.093 0.000 2.526 761 H HA 0.256 4.815 4.556 0.005 0.000 0.274 761 H C 0.068 175.422 175.328 0.044 0.000 0.999 761 H CA -0.151 55.938 56.048 0.069 0.000 1.157 761 H CB 0.174 29.965 29.762 0.049 0.000 1.407 761 H HN 0.250 nan 8.280 nan 0.000 0.568 762 N N 1.110 119.906 118.700 0.160 0.000 2.430 762 N HA 0.067 4.810 4.740 0.005 0.000 0.298 762 N C -0.308 175.256 175.510 0.089 0.000 1.130 762 N CA -0.499 52.623 53.050 0.121 0.000 0.894 762 N CB 2.014 40.596 38.487 0.158 0.000 1.209 762 N HN 0.124 nan 8.380 nan 0.000 0.503 763 Q N 1.231 121.079 119.800 0.080 0.000 2.297 763 Q HA 0.011 4.355 4.340 0.005 0.000 0.267 763 Q C 0.706 176.750 176.000 0.074 0.000 1.006 763 Q CA 0.081 55.925 55.803 0.069 0.000 0.896 763 Q CB 1.006 29.783 28.738 0.065 0.000 1.186 763 Q HN 0.672 nan 8.270 nan 0.000 0.392 764 S N 5.146 120.878 115.700 0.053 0.000 2.359 764 S HA -0.096 4.377 4.470 0.005 0.000 0.222 764 S C -0.920 173.687 174.600 0.012 0.000 1.038 764 S CA 1.682 59.902 58.200 0.034 0.000 1.051 764 S CB -0.633 62.579 63.200 0.021 0.000 0.944 764 S HN 0.748 nan 8.310 nan 0.000 0.433 765 P HA -0.100 nan 4.420 nan 0.000 0.219 765 P C 1.221 178.485 177.300 -0.060 0.000 1.146 765 P CA 0.903 63.941 63.100 -0.104 0.000 0.808 765 P CB -0.178 31.480 31.700 -0.069 0.000 0.779 766 R N 0.265 120.881 120.500 0.193 0.000 2.082 766 R HA -0.118 4.225 4.340 0.005 0.000 0.234 766 R C 2.083 178.505 176.300 0.204 0.000 1.136 766 R CA 1.119 57.423 56.100 0.340 0.000 0.935 766 R CB -1.764 28.672 30.300 0.227 0.000 0.842 766 R HN 0.224 nan 8.270 nan 0.000 0.430 767 N N 0.240 119.008 118.700 0.114 0.000 2.073 767 N HA -0.182 4.561 4.740 0.005 0.000 0.199 767 N C 1.761 177.271 175.510 -0.000 0.000 1.023 767 N CA 2.363 55.446 53.050 0.055 0.000 0.880 767 N CB -0.839 37.668 38.487 0.033 0.000 1.052 767 N HN 0.264 nan 8.380 nan 0.000 0.449 768 T N 0.358 114.871 114.554 -0.069 0.000 2.699 768 T HA -0.160 4.193 4.350 0.005 0.000 0.268 768 T C 1.750 176.364 174.700 -0.143 0.000 1.036 768 T CA 1.346 63.352 62.100 -0.157 0.000 1.147 768 T CB -0.551 68.159 68.868 -0.263 0.000 0.862 768 T HN 0.348 nan 8.240 nan 0.000 0.446 769 Y N 1.218 121.505 120.300 -0.023 0.000 2.097 769 Y HA -0.217 4.336 4.550 0.005 0.000 0.282 769 Y C 2.983 178.859 175.900 -0.040 0.000 1.152 769 Y CA 1.320 59.402 58.100 -0.029 0.000 1.136 769 Y CB -0.426 38.023 38.460 -0.019 0.000 0.975 769 Y HN 0.113 nan 8.280 nan 0.000 0.498 770 Q N 0.264 120.139 119.800 0.124 0.000 2.096 770 Q HA -0.217 4.126 4.340 0.005 0.000 0.208 770 Q C 2.319 178.310 176.000 -0.014 0.000 0.993 770 Q CA 2.255 58.070 55.803 0.021 0.000 0.862 770 Q CB -0.778 27.942 28.738 -0.030 0.000 0.915 770 Q HN 0.246 nan 8.270 nan 0.000 0.416 771 S N -1.308 114.375 115.700 -0.028 0.000 2.469 771 S HA -0.008 4.466 4.470 0.005 0.000 0.238 771 S C 1.275 175.846 174.600 -0.048 0.000 0.998 771 S CA 0.880 59.047 58.200 -0.055 0.000 0.957 771 S CB -0.265 62.893 63.200 -0.069 0.000 0.764 771 S HN 0.555 nan 8.310 nan 0.000 0.514 772 A N -0.790 122.013 122.820 -0.028 0.000 2.390 772 A HA 0.460 4.783 4.320 0.005 0.000 0.232 772 A C 1.560 179.132 177.584 -0.021 0.000 1.233 772 A CA -0.158 51.863 52.037 -0.027 0.000 0.907 772 A CB -0.043 18.943 19.000 -0.022 0.000 0.967 772 A HN 0.505 nan 8.150 nan 0.000 0.512 773 M N -1.300 118.293 119.600 -0.012 0.000 2.367 773 M HA 0.169 4.652 4.480 0.005 0.000 0.256 773 M C 1.837 178.122 176.300 -0.026 0.000 1.091 773 M CA 0.764 56.053 55.300 -0.019 0.000 1.049 773 M CB 0.488 33.085 32.600 -0.006 0.000 1.406 773 M HN 0.447 nan 8.290 nan 0.000 0.498 774 G N 1.214 109.998 108.800 -0.026 0.000 2.421 774 G HA2 -0.172 3.792 3.960 0.005 0.000 0.217 774 G HA3 -0.172 3.792 3.960 0.005 0.000 0.217 774 G C 1.224 176.133 174.900 0.015 0.000 1.143 774 G CA 0.463 45.556 45.100 -0.011 0.000 0.784 774 G HN 0.555 nan 8.290 nan 0.000 0.541 775 K N 0.026 120.413 120.400 -0.021 0.000 2.546 775 K HA 0.199 4.522 4.320 0.005 0.000 0.198 775 K C 1.077 177.600 176.600 -0.129 0.000 1.028 775 K CA 0.355 56.618 56.287 -0.039 0.000 1.150 775 K CB 0.219 32.682 32.500 -0.061 0.000 0.876 775 K HN 0.309 nan 8.250 nan 0.000 0.508 776 Q N 0.125 119.843 119.800 -0.136 0.000 2.113 776 Q HA 0.248 4.591 4.340 0.005 0.000 0.225 776 Q C -0.463 175.461 176.000 -0.126 0.000 0.786 776 Q CA -0.270 55.328 55.803 -0.342 0.000 0.989 776 Q CB 1.686 30.276 28.738 -0.247 0.000 1.174 776 Q HN 0.363 nan 8.270 nan 0.000 0.470 777 A N 1.395 124.262 122.820 0.078 0.000 2.343 777 A HA 0.389 4.712 4.320 0.005 0.000 0.305 777 A C 0.004 177.723 177.584 0.225 0.000 1.308 777 A CA -0.284 51.832 52.037 0.131 0.000 0.949 777 A CB -0.119 18.933 19.000 0.087 0.000 1.148 777 A HN 0.286 nan 8.150 nan 0.000 0.545 778 M N 2.214 121.931 119.600 0.194 0.000 2.245 778 M HA 0.257 4.741 4.480 0.005 0.000 0.335 778 M C 0.979 177.291 176.300 0.020 0.000 1.155 778 M CA 1.923 57.253 55.300 0.050 0.000 1.055 778 M CB 0.376 32.967 32.600 -0.015 0.000 1.670 778 M HN 0.930 nan 8.290 nan 0.000 0.447 779 G N 1.317 110.080 108.800 -0.062 0.000 2.341 779 G HA2 0.287 4.250 3.960 0.005 0.000 0.299 779 G HA3 0.287 4.250 3.960 0.005 0.000 0.299 779 G C -1.567 173.296 174.900 -0.061 0.000 1.274 779 G CA -0.981 44.103 45.100 -0.027 0.000 0.853 779 G HN 0.492 nan 8.290 nan 0.000 0.493 780 V N 2.332 122.189 119.914 -0.096 0.000 2.393 780 V HA 0.217 4.340 4.120 0.005 0.000 0.257 780 V C 1.290 177.316 176.094 -0.113 0.000 1.040 780 V CA 0.899 63.096 62.300 -0.172 0.000 1.097 780 V CB -1.059 30.643 31.823 -0.201 0.000 1.101 780 V HN 0.666 nan 8.190 nan 0.000 0.479 781 F N 4.204 124.095 119.950 -0.098 0.000 2.374 781 F HA 0.504 5.033 4.527 0.005 0.000 0.291 781 F C 0.391 176.245 175.800 0.090 0.000 1.084 781 F CA 0.143 58.149 58.000 0.009 0.000 1.413 781 F CB 0.172 39.150 39.000 -0.037 0.000 1.099 781 F HN 0.219 nan 8.300 nan 0.000 0.534 782 L N 0.164 120.928 121.223 -0.765 0.000 2.466 782 L HA 0.279 4.622 4.340 0.005 0.000 0.258 782 L C 0.794 177.478 176.870 -0.309 0.000 0.973 782 L CA -0.627 54.001 54.840 -0.353 0.000 0.826 782 L CB 2.286 44.228 42.059 -0.196 0.000 1.372 782 L HN -0.137 nan 8.230 nan 0.000 0.409 783 T N -0.664 113.837 114.554 -0.088 0.000 2.867 783 T HA -0.101 4.252 4.350 0.005 0.000 0.268 783 T C 1.270 175.877 174.700 -0.154 0.000 1.057 783 T CA 1.705 63.779 62.100 -0.044 0.000 1.136 783 T CB -0.308 68.656 68.868 0.160 0.000 0.874 783 T HN 0.695 nan 8.240 nan 0.000 0.466 784 N N 1.847 120.468 118.700 -0.132 0.000 2.485 784 N HA -0.069 4.674 4.740 0.005 0.000 0.199 784 N C 1.240 176.600 175.510 -0.251 0.000 1.236 784 N CA 0.039 52.991 53.050 -0.164 0.000 0.852 784 N CB -1.052 37.402 38.487 -0.056 0.000 1.018 784 N HN 0.663 nan 8.380 nan 0.000 0.457 785 Y N -0.864 119.234 120.300 -0.335 0.000 2.465 785 Y HA -0.054 4.498 4.550 0.005 0.000 0.289 785 Y C 1.758 177.494 175.900 -0.272 0.000 1.150 785 Y CA 0.919 58.799 58.100 -0.367 0.000 1.293 785 Y CB -1.088 37.012 38.460 -0.601 0.000 0.977 785 Y HN 0.072 nan 8.280 nan 0.000 0.556 786 N N 0.605 118.869 118.700 -0.726 0.000 2.244 786 N HA -0.120 4.623 4.740 0.005 0.000 0.183 786 N C 1.184 176.610 175.510 -0.141 0.000 1.016 786 N CA 1.658 54.457 53.050 -0.418 0.000 0.866 786 N CB -0.077 38.156 38.487 -0.424 0.000 0.980 786 N HN 0.337 nan 8.380 nan 0.000 0.430 787 V N -0.167 119.679 119.914 -0.113 0.000 3.523 787 V HA 0.223 4.346 4.120 0.005 0.000 0.255 787 V C 0.779 176.885 176.094 0.022 0.000 1.226 787 V CA 0.075 62.358 62.300 -0.027 0.000 1.092 787 V CB -0.110 31.699 31.823 -0.024 0.000 0.817 787 V HN 0.144 nan 8.190 nan 0.000 0.458 788 R N 1.110 121.629 120.500 0.031 0.000 2.594 788 R HA 0.358 4.701 4.340 0.005 0.000 0.272 788 R C -0.395 175.960 176.300 0.092 0.000 1.074 788 R CA 0.078 56.227 56.100 0.081 0.000 1.105 788 R CB 0.425 30.800 30.300 0.124 0.000 1.008 788 R HN 0.179 nan 8.270 nan 0.000 0.472 789 M N 3.337 122.995 119.600 0.097 0.000 2.060 789 M HA 0.233 4.716 4.480 0.005 0.000 0.342 789 M C -1.076 175.269 176.300 0.076 0.000 1.031 789 M CA -0.276 55.081 55.300 0.093 0.000 0.981 789 M CB 0.965 33.623 32.600 0.097 0.000 1.376 789 M HN 0.407 nan 8.290 nan 0.000 0.397 790 D N 2.689 123.125 120.400 0.059 0.000 2.391 790 D HA 0.261 4.904 4.640 0.005 0.000 0.245 790 D C -0.070 176.220 176.300 -0.016 0.000 1.069 790 D CA -0.234 53.774 54.000 0.015 0.000 0.831 790 D CB 1.733 42.523 40.800 -0.017 0.000 1.204 790 D HN 0.423 nan 8.370 nan 0.000 0.503 791 T N 0.432 114.963 114.554 -0.037 0.000 2.738 791 T HA 0.182 4.535 4.350 0.005 0.000 0.277 791 T C 0.780 175.445 174.700 -0.059 0.000 0.981 791 T CA -0.279 61.776 62.100 -0.074 0.000 1.211 791 T CB -0.259 68.561 68.868 -0.080 0.000 0.932 791 T HN 0.497 nan 8.240 nan 0.000 0.522 792 M N 1.240 120.805 119.600 -0.059 0.000 4.045 792 M HA -0.045 4.439 4.480 0.005 0.000 0.157 792 M C -0.278 176.012 176.300 -0.017 0.000 1.532 792 M CA 0.862 56.174 55.300 0.021 0.000 1.096 792 M CB -0.991 31.682 32.600 0.122 0.000 1.346 792 M HN 1.117 nan 8.290 nan 0.000 0.192 793 A N 4.308 127.127 122.820 -0.002 0.000 2.429 793 A HA 0.787 5.110 4.320 0.005 0.000 0.289 793 A C -0.697 176.883 177.584 -0.006 0.000 1.043 793 A CA -0.869 51.115 52.037 -0.088 0.000 0.722 793 A CB 1.217 20.174 19.000 -0.071 0.000 1.243 793 A HN 0.679 nan 8.150 nan 0.000 0.415 794 N N 1.022 119.629 118.700 -0.156 0.000 2.487 794 N HA 0.760 5.503 4.740 0.005 0.000 0.292 794 N C -0.789 174.594 175.510 -0.212 0.000 1.108 794 N CA 0.019 52.987 53.050 -0.137 0.000 0.956 794 N CB 1.806 40.086 38.487 -0.345 0.000 1.176 794 N HN 0.717 nan 8.380 nan 0.000 0.484 795 I N -1.428 119.033 120.570 -0.182 0.000 2.913 795 I HA 0.420 4.593 4.170 0.005 0.000 0.302 795 I C -1.112 174.943 176.117 -0.105 0.000 1.246 795 I CA -1.011 60.139 61.300 -0.251 0.000 1.010 795 I CB 1.163 38.804 38.000 -0.599 0.000 1.259 795 I HN 0.108 nan 8.210 nan 0.000 0.434 796 L N 3.337 124.517 121.223 -0.070 0.000 2.305 796 L HA 0.379 4.722 4.340 0.005 0.000 0.281 796 L C 0.660 177.545 176.870 0.026 0.000 1.085 796 L CA 0.237 55.108 54.840 0.053 0.000 0.813 796 L CB 0.584 42.693 42.059 0.083 0.000 1.157 796 L HN 0.584 nan 8.230 nan 0.000 0.436 797 Y N 3.597 123.823 120.300 -0.123 0.000 2.070 797 Y HA -0.209 4.343 4.550 0.004 0.000 0.280 797 Y C 0.348 175.887 175.900 -0.602 0.000 1.148 797 Y CA 1.857 59.714 58.100 -0.405 0.000 1.125 797 Y CB -0.170 38.045 38.460 -0.408 0.000 0.975 797 Y HN 0.491 nan 8.280 nan 0.000 0.492 798 Y N -0.783 119.627 120.300 0.182 0.000 2.511 798 Y HA 0.370 4.923 4.550 0.005 0.000 0.356 798 Y C -2.561 173.366 175.900 0.045 0.000 1.002 798 Y CA -3.028 55.119 58.100 0.078 0.000 1.127 798 Y CB 0.161 38.659 38.460 0.063 0.000 1.137 798 Y HN -0.093 nan 8.280 nan 0.000 0.652 799 P HA 0.116 nan 4.420 nan 0.000 0.271 799 P C -0.467 176.877 177.300 0.073 0.000 1.220 799 P CA 0.076 63.233 63.100 0.095 0.000 0.768 799 P CB 0.827 32.541 31.700 0.023 0.000 0.848 800 Q N 1.744 121.610 119.800 0.110 0.000 2.266 800 Q HA 0.277 4.621 4.340 0.005 0.000 0.261 800 Q C 0.211 176.258 176.000 0.080 0.000 0.985 800 Q CA -1.096 54.756 55.803 0.083 0.000 0.873 800 Q CB 1.726 30.523 28.738 0.097 0.000 1.306 800 Q HN 0.370 nan 8.270 nan 0.000 0.447 801 K N 1.691 122.060 120.400 -0.053 0.000 2.380 801 K HA 0.247 4.570 4.320 0.005 0.000 0.267 801 K C -2.341 174.149 176.600 -0.184 0.000 0.990 801 K CA -1.240 54.936 56.287 -0.185 0.000 0.946 801 K CB 0.043 32.432 32.500 -0.183 0.000 0.937 801 K HN 0.202 nan 8.250 nan 0.000 0.491 802 P HA -0.044 nan 4.420 nan 0.000 0.271 802 P C 0.371 177.569 177.300 -0.170 0.000 1.233 802 P CA -0.215 62.580 63.100 -0.507 0.000 0.789 802 P CB 0.616 31.822 31.700 -0.823 0.000 0.951 803 L N -0.216 120.967 121.223 -0.065 0.000 2.209 803 L HA 0.141 4.484 4.340 0.005 0.000 0.207 803 L C 1.369 178.211 176.870 -0.047 0.000 1.094 803 L CA 1.015 55.831 54.840 -0.039 0.000 0.790 803 L CB -0.515 41.539 42.059 -0.007 0.000 0.932 803 L HN 0.483 nan 8.230 nan 0.000 0.447 804 G N -0.050 108.726 108.800 -0.040 0.000 2.522 804 G HA2 0.425 4.388 3.960 0.005 0.000 0.318 804 G HA3 0.425 4.388 3.960 0.005 0.000 0.318 804 G C -0.204 174.648 174.900 -0.079 0.000 1.192 804 G CA -0.123 44.963 45.100 -0.024 0.000 0.988 804 G HN 0.092 nan 8.290 nan 0.000 0.480 805 T N -0.538 113.946 114.554 -0.116 0.000 2.923 805 T HA 0.761 5.114 4.350 0.005 0.000 0.281 805 T C 0.335 174.919 174.700 -0.194 0.000 0.995 805 T CA -0.536 61.475 62.100 -0.149 0.000 0.985 805 T CB 1.860 70.637 68.868 -0.150 0.000 1.114 805 T HN 0.240 nan 8.240 nan 0.000 0.548 806 T N 0.806 115.234 114.554 -0.210 0.000 2.943 806 T HA 0.438 4.791 4.350 0.005 0.000 0.284 806 T C 1.228 175.723 174.700 -0.342 0.000 1.015 806 T CA -0.968 60.978 62.100 -0.256 0.000 1.042 806 T CB 1.550 70.296 68.868 -0.205 0.000 1.055 806 T HN 0.489 nan 8.240 nan 0.000 0.500 807 R N 0.646 120.854 120.500 -0.486 0.000 2.235 807 R HA 0.054 4.397 4.340 0.005 0.000 0.213 807 R C 2.040 177.932 176.300 -0.680 0.000 1.059 807 R CA 0.747 56.342 56.100 -0.843 0.000 0.997 807 R CB -0.591 28.733 30.300 -1.627 0.000 0.884 807 R HN 0.727 nan 8.270 nan 0.000 0.462 808 A N 0.345 122.996 122.820 -0.281 0.000 1.943 808 A HA -0.020 4.303 4.320 0.005 0.000 0.213 808 A C 1.920 179.417 177.584 -0.144 0.000 1.181 808 A CA 0.204 52.245 52.037 0.006 0.000 0.653 808 A CB -0.288 18.798 19.000 0.143 0.000 0.833 808 A HN 0.243 nan 8.150 nan 0.000 0.451 809 M N 0.093 119.587 119.600 -0.176 0.000 2.857 809 M HA -0.206 4.277 4.480 0.005 0.000 0.228 809 M C 1.309 177.495 176.300 -0.190 0.000 0.972 809 M CA 1.600 56.817 55.300 -0.137 0.000 1.108 809 M CB -0.127 32.406 32.600 -0.111 0.000 1.360 809 M HN 0.617 nan 8.290 nan 0.000 0.566 810 E N -0.942 119.015 120.200 -0.406 0.000 2.288 810 E HA -0.020 4.333 4.350 0.005 0.000 0.200 810 E C 0.872 177.156 176.600 -0.528 0.000 0.880 810 E CA 0.918 56.976 56.400 -0.571 0.000 0.971 810 E CB -0.192 28.970 29.700 -0.897 0.000 0.954 810 E HN 0.671 nan 8.360 nan 0.000 0.489 811 Y N 0.199 120.399 120.300 -0.166 0.000 2.523 811 Y HA 0.206 4.760 4.550 0.005 0.000 0.279 811 Y C 1.481 177.269 175.900 -0.186 0.000 1.139 811 Y CA -0.175 57.755 58.100 -0.284 0.000 1.296 811 Y CB 0.315 38.317 38.460 -0.763 0.000 1.045 811 Y HN 0.078 nan 8.280 nan 0.000 0.538 812 L N 0.472 121.680 121.223 -0.025 0.000 2.552 812 L HA -0.060 4.283 4.340 0.005 0.000 0.227 812 L C 0.945 177.944 176.870 0.214 0.000 1.146 812 L CA 1.068 55.959 54.840 0.084 0.000 0.858 812 L CB -0.653 41.433 42.059 0.045 0.000 0.969 812 L HN 0.277 nan 8.230 nan 0.000 0.451 813 K N -1.855 118.607 120.400 0.105 0.000 3.185 813 K HA -0.298 4.025 4.320 0.005 0.000 0.298 813 K C 1.272 177.829 176.600 -0.072 0.000 1.178 813 K CA 0.947 57.253 56.287 0.031 0.000 0.882 813 K CB -2.246 30.298 32.500 0.073 0.000 1.218 813 K HN 0.258 nan 8.250 nan 0.000 0.454 814 F N 2.247 122.146 119.950 -0.085 0.000 2.095 814 F HA -0.183 4.347 4.527 0.005 0.000 0.298 814 F C 2.118 177.830 175.800 -0.148 0.000 1.104 814 F CA 2.164 60.112 58.000 -0.087 0.000 1.232 814 F CB -0.091 38.877 39.000 -0.053 0.000 0.987 814 F HN 0.224 nan 8.300 nan 0.000 0.475 815 R N -0.165 120.206 120.500 -0.215 0.000 2.391 815 R HA 0.079 4.422 4.340 0.005 0.000 0.225 815 R C 0.553 176.687 176.300 -0.278 0.000 1.079 815 R CA 1.000 56.918 56.100 -0.302 0.000 1.147 815 R CB -0.358 29.841 30.300 -0.168 0.000 1.103 815 R HN 0.267 nan 8.270 nan 0.000 0.499 816 E N -0.215 119.782 120.200 -0.337 0.000 2.555 816 E HA 0.260 4.613 4.350 0.005 0.000 0.209 816 E C -0.410 175.904 176.600 -0.475 0.000 0.847 816 E CA 0.126 56.337 56.400 -0.315 0.000 1.438 816 E CB 0.929 30.488 29.700 -0.234 0.000 1.420 816 E HN 0.235 nan 8.360 nan 0.000 0.755 817 L N 2.037 122.913 121.223 -0.579 0.000 2.625 817 L HA 0.411 4.754 4.340 0.005 0.000 0.255 817 L C -2.464 174.137 176.870 -0.449 0.000 1.493 817 L CA -1.630 52.883 54.840 -0.545 0.000 0.796 817 L CB 0.833 42.425 42.059 -0.778 0.000 1.064 817 L HN -0.119 nan 8.230 nan 0.000 0.516 818 P HA 0.084 nan 4.420 nan 0.000 0.271 818 P C -0.268 176.927 177.300 -0.176 0.000 1.238 818 P CA -0.133 62.584 63.100 -0.638 0.000 0.794 818 P CB 1.190 32.654 31.700 -0.394 0.000 0.959 819 A N 0.428 123.295 122.820 0.077 0.000 3.127 819 A HA 0.655 4.978 4.320 0.005 0.000 0.319 819 A C -0.001 177.734 177.584 0.252 0.000 1.104 819 A CA 0.097 52.273 52.037 0.232 0.000 0.802 819 A CB -0.144 19.072 19.000 0.360 0.000 1.193 819 A HN 0.855 nan 8.150 nan 0.000 0.479 820 G N 0.439 109.344 108.800 0.175 0.000 2.326 820 G HA2 0.319 4.282 3.960 0.005 0.000 0.478 820 G HA3 0.319 4.282 3.960 0.005 0.000 0.478 820 G C -1.143 173.791 174.900 0.057 0.000 1.551 820 G CA -0.989 44.125 45.100 0.022 0.000 0.946 820 G HN 0.657 nan 8.290 nan 0.000 0.671 821 Q N 0.060 119.988 119.800 0.214 0.000 2.204 821 Q HA 0.475 4.818 4.340 0.005 0.000 0.254 821 Q C 0.171 176.169 176.000 -0.003 0.000 0.981 821 Q CA -0.966 54.820 55.803 -0.028 0.000 0.897 821 Q CB 1.490 29.925 28.738 -0.505 0.000 1.273 821 Q HN 0.422 nan 8.270 nan 0.000 0.464 822 N N 0.912 119.640 118.700 0.046 0.000 3.322 822 N HA 0.233 4.976 4.740 0.005 0.000 0.290 822 N C -1.437 174.060 175.510 -0.021 0.000 1.297 822 N CA -0.025 53.097 53.050 0.121 0.000 1.167 822 N CB 0.425 38.993 38.487 0.135 0.000 1.434 822 N HN 0.585 nan 8.380 nan 0.000 0.526 823 A N 2.241 125.018 122.820 -0.071 0.000 2.388 823 A HA 0.319 4.642 4.320 0.005 0.000 0.257 823 A C 0.652 178.121 177.584 -0.191 0.000 1.095 823 A CA -0.423 51.505 52.037 -0.183 0.000 0.791 823 A CB 0.433 19.277 19.000 -0.259 0.000 1.029 823 A HN 0.409 nan 8.150 nan 0.000 0.489 824 I N 2.649 123.071 120.570 -0.247 0.000 2.533 824 I HA 0.150 4.323 4.170 0.005 0.000 0.284 824 I C 0.202 176.038 176.117 -0.468 0.000 1.109 824 I CA 0.291 61.367 61.300 -0.374 0.000 1.412 824 I CB 0.340 38.096 38.000 -0.407 0.000 1.396 824 I HN 0.289 nan 8.210 nan 0.000 0.543 825 V N 6.642 126.262 119.914 -0.491 0.000 2.448 825 V HA 0.700 4.823 4.120 0.005 0.000 0.295 825 V C 0.223 176.055 176.094 -0.437 0.000 1.025 825 V CA -0.558 61.499 62.300 -0.405 0.000 0.859 825 V CB 1.714 33.394 31.823 -0.239 0.000 0.988 825 V HN 0.906 nan 8.190 nan 0.000 0.431 826 A N 7.862 130.497 122.820 -0.308 0.000 2.309 826 A HA 0.702 5.025 4.320 0.005 0.000 0.290 826 A C -0.272 177.338 177.584 0.042 0.000 1.206 826 A CA -0.374 51.630 52.037 -0.054 0.000 0.850 826 A CB 0.002 19.045 19.000 0.072 0.000 1.118 826 A HN 0.826 nan 8.150 nan 0.000 0.523 827 I N 2.348 123.008 120.570 0.151 0.000 2.307 827 I HA 0.605 4.778 4.170 0.005 0.000 0.289 827 I C 0.398 176.620 176.117 0.175 0.000 1.021 827 I CA 0.156 61.557 61.300 0.167 0.000 1.224 827 I CB 0.886 39.014 38.000 0.213 0.000 1.376 827 I HN 0.740 nan 8.210 nan 0.000 0.470 828 A N 4.629 127.532 122.820 0.139 0.000 2.567 828 A HA 0.510 4.833 4.320 0.005 0.000 0.291 828 A C -1.068 176.608 177.584 0.154 0.000 1.048 828 A CA -0.609 51.517 52.037 0.150 0.000 0.661 828 A CB 0.737 19.853 19.000 0.194 0.000 1.288 828 A HN 0.634 nan 8.150 nan 0.000 0.424 829 C N 1.054 120.444 119.300 0.150 0.000 2.637 829 C HA 0.522 4.985 4.460 0.005 0.000 0.418 829 C C 0.865 176.036 174.990 0.301 0.000 1.319 829 C CA 0.493 59.620 59.018 0.181 0.000 1.949 829 C CB -0.734 27.085 27.740 0.131 0.000 2.639 829 C HN 0.836 nan 8.230 nan 0.000 0.594 830 Y N 1.516 121.896 120.300 0.133 0.000 3.057 830 Y HA 0.144 4.696 4.550 0.005 0.000 0.148 830 Y C 2.297 178.318 175.900 0.201 0.000 0.877 830 Y CA 1.122 59.330 58.100 0.179 0.000 1.833 830 Y CB -0.458 38.136 38.460 0.223 0.000 1.278 830 Y HN 0.581 nan 8.280 nan 0.000 0.357 831 S N -0.195 115.728 115.700 0.372 0.000 2.575 831 S HA 0.275 4.748 4.470 0.005 0.000 0.215 831 S C 1.348 176.072 174.600 0.206 0.000 0.966 831 S CA 0.290 58.672 58.200 0.303 0.000 0.911 831 S CB -0.045 63.541 63.200 0.643 0.000 0.780 831 S HN 1.031 nan 8.310 nan 0.000 0.514 832 G N 0.738 109.641 108.800 0.172 0.000 2.249 832 G HA2 -0.338 3.625 3.960 0.005 0.000 0.273 832 G HA3 -0.338 3.625 3.960 0.005 0.000 0.273 832 G C 0.209 175.079 174.900 -0.049 0.000 1.036 832 G CA 0.617 45.751 45.100 0.057 0.000 0.824 832 G HN 0.594 nan 8.290 nan 0.000 0.504 833 Y N 0.443 120.779 120.300 0.060 0.000 2.475 833 Y HA 0.038 4.591 4.550 0.005 0.000 0.289 833 Y C 2.249 178.148 175.900 -0.002 0.000 1.121 833 Y CA 1.174 59.285 58.100 0.017 0.000 1.257 833 Y CB 0.212 38.658 38.460 -0.024 0.000 1.026 833 Y HN 0.505 nan 8.280 nan 0.000 0.555 834 N N 0.141 118.922 118.700 0.135 0.000 2.362 834 N HA -0.026 4.717 4.740 0.005 0.000 0.211 834 N C -0.409 175.142 175.510 0.067 0.000 1.170 834 N CA 0.064 53.164 53.050 0.082 0.000 0.828 834 N CB -0.429 38.102 38.487 0.073 0.000 1.034 834 N HN 0.347 nan 8.380 nan 0.000 0.475 835 Q N 1.002 120.829 119.800 0.045 0.000 2.373 835 Q HA 0.072 4.415 4.340 0.005 0.000 0.255 835 Q C -0.338 175.666 176.000 0.005 0.000 0.980 835 Q CA -0.088 55.727 55.803 0.020 0.000 0.882 835 Q CB 0.536 29.260 28.738 -0.023 0.000 1.249 835 Q HN 0.218 nan 8.270 nan 0.000 0.438 836 E N 2.329 122.525 120.200 -0.006 0.000 2.414 836 E HA -0.179 4.174 4.350 0.005 0.000 0.173 836 E C -0.960 175.640 176.600 0.000 0.000 1.551 836 E CA 0.894 57.285 56.400 -0.015 0.000 0.661 836 E CB -1.749 27.934 29.700 -0.028 0.000 1.108 836 E HN 0.903 nan 8.360 nan 0.000 0.365 837 D N -0.875 119.531 120.400 0.010 0.000 3.172 837 D HA -0.226 4.417 4.640 0.005 0.000 0.196 837 D C -0.033 176.285 176.300 0.030 0.000 1.270 837 D CA 1.449 55.461 54.000 0.020 0.000 0.665 837 D CB -1.018 39.783 40.800 0.001 0.000 0.923 837 D HN 0.389 nan 8.370 nan 0.000 0.400 838 S N -0.584 115.139 115.700 0.039 0.000 2.798 838 S HA 0.873 5.346 4.470 0.005 0.000 0.312 838 S C 0.292 174.919 174.600 0.046 0.000 1.122 838 S CA -1.070 57.158 58.200 0.048 0.000 0.949 838 S CB 2.234 65.463 63.200 0.048 0.000 1.235 838 S HN 0.682 nan 8.310 nan 0.000 0.552 839 M N -0.395 119.219 119.600 0.023 0.000 2.578 839 M HA 0.566 5.049 4.480 0.005 0.000 0.276 839 M C -2.139 174.111 176.300 -0.083 0.000 1.245 839 M CA -0.831 54.456 55.300 -0.022 0.000 0.871 839 M CB 1.448 34.023 32.600 -0.042 0.000 1.722 839 M HN 0.621 nan 8.290 nan 0.000 0.473 840 I N 2.220 122.712 120.570 -0.130 0.000 2.354 840 I HA 0.516 4.689 4.170 0.005 0.000 0.292 840 I C -0.838 175.144 176.117 -0.226 0.000 0.989 840 I CA -0.527 60.631 61.300 -0.237 0.000 1.188 840 I CB 1.798 39.639 38.000 -0.264 0.000 1.342 840 I HN 0.768 nan 8.210 nan 0.000 0.457 841 M N 5.580 125.041 119.600 -0.231 0.000 2.253 841 M HA 0.319 4.802 4.480 0.005 0.000 0.314 841 M C -0.370 175.847 176.300 -0.137 0.000 1.019 841 M CA -0.736 54.440 55.300 -0.206 0.000 0.932 841 M CB 1.664 34.115 32.600 -0.248 0.000 1.606 841 M HN 0.515 nan 8.290 nan 0.000 0.430 842 N N 3.413 122.046 118.700 -0.113 0.000 2.411 842 N HA -0.086 4.657 4.740 0.005 0.000 0.282 842 N C 0.580 176.062 175.510 -0.046 0.000 1.322 842 N CA 0.542 53.558 53.050 -0.057 0.000 0.943 842 N CB 0.776 39.227 38.487 -0.060 0.000 1.266 842 N HN 0.704 nan 8.380 nan 0.000 0.486 843 Q N 2.719 122.511 119.800 -0.014 0.000 2.045 843 Q HA -0.152 4.191 4.340 0.005 0.000 0.206 843 Q C 1.468 177.454 176.000 -0.024 0.000 0.991 843 Q CA 2.012 57.807 55.803 -0.013 0.000 0.851 843 Q CB -0.699 28.044 28.738 0.009 0.000 0.911 843 Q HN 0.644 nan 8.270 nan 0.000 0.418 844 S N -0.593 115.093 115.700 -0.023 0.000 2.465 844 S HA -0.145 4.328 4.470 0.005 0.000 0.241 844 S C 1.749 176.323 174.600 -0.043 0.000 1.000 844 S CA 1.156 59.337 58.200 -0.032 0.000 0.964 844 S CB -0.401 62.778 63.200 -0.035 0.000 0.763 844 S HN 0.695 nan 8.310 nan 0.000 0.512 845 S N 0.934 116.602 115.700 -0.053 0.000 2.425 845 S HA 0.051 4.524 4.470 0.005 0.000 0.225 845 S C 1.709 176.270 174.600 -0.066 0.000 1.024 845 S CA 0.236 58.394 58.200 -0.071 0.000 0.951 845 S CB -0.358 62.785 63.200 -0.096 0.000 0.796 845 S HN 0.368 nan 8.310 nan 0.000 0.498 846 I N 3.713 124.253 120.570 -0.050 0.000 2.208 846 I HA -0.143 4.031 4.170 0.005 0.000 0.245 846 I C 1.811 177.908 176.117 -0.033 0.000 1.097 846 I CA 1.201 62.482 61.300 -0.031 0.000 1.363 846 I CB -1.589 36.401 38.000 -0.017 0.000 1.051 846 I HN 0.278 nan 8.210 nan 0.000 0.413 847 D N 0.797 121.178 120.400 -0.032 0.000 2.178 847 D HA -0.143 4.500 4.640 0.005 0.000 0.201 847 D C 2.177 178.462 176.300 -0.026 0.000 0.980 847 D CA 0.838 54.822 54.000 -0.027 0.000 0.842 847 D CB -0.318 40.468 40.800 -0.023 0.000 0.948 847 D HN 0.391 nan 8.370 nan 0.000 0.472 848 R N -0.221 120.256 120.500 -0.038 0.000 2.316 848 R HA 0.122 4.465 4.340 0.005 0.000 0.202 848 R C 1.183 177.461 176.300 -0.038 0.000 1.029 848 R CA 0.721 56.792 56.100 -0.048 0.000 1.018 848 R CB 0.223 30.479 30.300 -0.074 0.000 0.888 848 R HN 0.248 nan 8.270 nan 0.000 0.471 849 G N 0.897 109.690 108.800 -0.011 0.000 2.192 849 G HA2 -0.216 3.747 3.960 0.005 0.000 0.193 849 G HA3 -0.216 3.747 3.960 0.005 0.000 0.193 849 G C -0.061 174.873 174.900 0.056 0.000 0.999 849 G CA -0.529 44.605 45.100 0.057 0.000 0.659 849 G HN 0.262 nan 8.290 nan 0.000 0.503 850 L N 0.771 121.979 121.223 -0.025 0.000 2.534 850 L HA 0.563 4.906 4.340 0.005 0.000 0.271 850 L C 1.180 178.080 176.870 0.051 0.000 1.178 850 L CA 0.428 55.212 54.840 -0.093 0.000 0.907 850 L CB -0.364 41.578 42.059 -0.194 0.000 1.164 850 L HN 0.494 nan 8.230 nan 0.000 0.482 851 F N 2.289 122.288 119.950 0.081 0.000 2.965 851 F HA -0.278 4.252 4.527 0.004 0.000 0.287 851 F C 0.904 176.752 175.800 0.080 0.000 0.790 851 F CA -0.099 57.971 58.000 0.117 0.000 1.279 851 F CB -0.763 38.358 39.000 0.201 0.000 1.409 851 F HN 0.597 nan 8.300 nan 0.000 0.446 852 R N 0.743 121.340 120.500 0.163 0.000 2.531 852 R HA 0.572 4.915 4.340 0.005 0.000 0.273 852 R C 0.139 176.525 176.300 0.143 0.000 1.070 852 R CA 0.544 56.606 56.100 -0.064 0.000 1.112 852 R CB 1.370 31.271 30.300 -0.665 0.000 1.049 852 R HN 0.199 nan 8.270 nan 0.000 0.508 853 S N 1.343 117.146 115.700 0.172 0.000 2.541 853 S HA 0.435 4.908 4.470 0.005 0.000 0.271 853 S C -0.759 174.052 174.600 0.352 0.000 1.133 853 S CA -1.074 57.294 58.200 0.280 0.000 0.876 853 S CB 1.198 64.480 63.200 0.137 0.000 1.105 853 S HN 0.325 nan 8.310 nan 0.000 0.470 854 L N 2.793 124.207 121.223 0.319 0.000 2.275 854 L HA 0.555 4.898 4.340 0.005 0.000 0.288 854 L C -1.007 176.101 176.870 0.398 0.000 1.046 854 L CA -0.588 54.450 54.840 0.330 0.000 0.805 854 L CB 0.815 43.082 42.059 0.346 0.000 1.193 854 L HN 0.792 nan 8.230 nan 0.000 0.426 855 F N 4.548 124.593 119.950 0.158 0.000 2.427 855 F HA 0.566 5.095 4.527 0.004 0.000 0.348 855 F C -1.093 174.779 175.800 0.120 0.000 1.125 855 F CA -0.744 57.352 58.000 0.160 0.000 0.989 855 F CB 0.821 39.860 39.000 0.066 0.000 1.165 855 F HN 0.098 nan 8.300 nan 0.000 0.442 856 F N 5.372 124.973 119.950 -0.581 0.000 2.450 856 F HA 0.650 5.181 4.527 0.008 0.000 0.332 856 F C 0.099 175.502 175.800 -0.662 0.000 1.093 856 F CA -0.793 56.922 58.000 -0.475 0.000 1.003 856 F CB 1.693 40.590 39.000 -0.172 0.000 1.151 856 F HN 0.378 nan 8.300 nan 0.000 0.474 857 R N 1.794 122.116 120.500 -0.295 0.000 2.713 857 R HA 0.314 4.658 4.340 0.005 0.000 0.282 857 R C -1.314 174.935 176.300 -0.084 0.000 1.472 857 R CA -0.274 55.667 56.100 -0.266 0.000 1.060 857 R CB 1.551 31.654 30.300 -0.328 0.000 1.237 857 R HN 0.729 nan 8.270 nan 0.000 0.484 858 S N 2.861 118.514 115.700 -0.079 0.000 2.548 858 S HA 0.305 4.778 4.470 0.005 0.000 0.277 858 S C -0.799 173.743 174.600 -0.097 0.000 1.315 858 S CA 0.058 58.254 58.200 -0.007 0.000 1.050 858 S CB 0.495 63.695 63.200 0.001 0.000 0.918 858 S HN 0.299 nan 8.310 nan 0.000 0.497 859 Y N 1.703 121.966 120.300 -0.061 0.000 2.364 859 Y HA 0.551 5.105 4.550 0.007 0.000 0.340 859 Y C 0.232 176.073 175.900 -0.097 0.000 0.975 859 Y CA -0.779 57.282 58.100 -0.065 0.000 1.089 859 Y CB 1.391 39.810 38.460 -0.067 0.000 1.192 859 Y HN 0.437 nan 8.280 nan 0.000 0.454 860 M N 3.224 122.843 119.600 0.030 0.000 2.602 860 M HA 0.486 4.969 4.480 0.005 0.000 0.312 860 M C -1.898 174.369 176.300 -0.055 0.000 1.181 860 M CA -0.260 54.988 55.300 -0.086 0.000 0.910 860 M CB 2.192 34.754 32.600 -0.064 0.000 1.723 860 M HN 0.834 nan 8.290 nan 0.000 0.459 861 D N 1.578 121.890 120.400 -0.147 0.000 2.663 861 D HA 0.415 5.058 4.640 0.005 0.000 0.233 861 D C -1.791 174.581 176.300 0.120 0.000 1.240 861 D CA -0.053 53.969 54.000 0.037 0.000 0.774 861 D CB 2.122 43.012 40.800 0.151 0.000 1.443 861 D HN 0.715 nan 8.370 nan 0.000 0.441 862 Q N 0.337 120.256 119.800 0.200 0.000 2.687 862 Q HA 0.489 4.832 4.340 0.005 0.000 0.305 862 Q C -1.044 174.972 176.000 0.026 0.000 1.006 862 Q CA -0.804 55.124 55.803 0.209 0.000 0.763 862 Q CB 2.544 31.410 28.738 0.212 0.000 1.506 862 Q HN 0.252 nan 8.270 nan 0.000 0.459 863 E N 1.463 121.649 120.200 -0.023 0.000 2.210 863 E HA 0.311 4.664 4.350 0.005 0.000 0.266 863 E C -1.346 175.215 176.600 -0.066 0.000 0.883 863 E CA -0.712 55.605 56.400 -0.137 0.000 0.761 863 E CB 2.093 31.662 29.700 -0.219 0.000 1.156 863 E HN 0.598 nan 8.360 nan 0.000 0.412 864 K N 1.356 121.716 120.400 -0.066 0.000 1.230 864 K HA -0.297 4.026 4.320 0.005 0.000 0.741 864 K C -0.790 175.791 176.600 -0.032 0.000 1.952 864 K CA 0.933 57.196 56.287 -0.040 0.000 1.413 864 K CB -0.040 32.436 32.500 -0.040 0.000 2.455 864 K HN 0.517 nan 8.250 nan 0.000 0.451 865 K N -0.492 119.896 120.400 -0.021 0.000 4.485 865 K HA 0.210 4.533 4.320 0.005 0.000 0.264 865 K C -0.264 176.288 176.600 -0.081 0.000 1.023 865 K CA -0.382 55.880 56.287 -0.043 0.000 1.902 865 K CB 0.422 32.941 32.500 0.030 0.000 3.087 865 K HN 0.486 nan 8.250 nan 0.000 0.774 866 Y N 0.903 121.214 120.300 0.019 0.000 2.636 866 Y HA 0.258 4.811 4.550 0.005 0.000 0.341 866 Y C 0.200 176.108 175.900 0.014 0.000 1.169 866 Y CA -0.488 57.623 58.100 0.018 0.000 1.498 866 Y CB 0.809 39.282 38.460 0.020 0.000 1.362 866 Y HN 0.364 nan 8.280 nan 0.000 0.494 867 G N 3.584 112.457 108.800 0.123 0.000 2.588 867 G HA2 0.306 4.269 3.960 0.005 0.000 0.312 867 G HA3 0.306 4.269 3.960 0.005 0.000 0.312 867 G C 0.301 175.244 174.900 0.071 0.000 1.257 867 G CA -0.614 44.535 45.100 0.080 0.000 0.994 867 G HN 0.448 nan 8.290 nan 0.000 0.498 868 M N 2.235 121.878 119.600 0.072 0.000 2.530 868 M HA 0.131 4.614 4.480 0.005 0.000 0.231 868 M C 1.207 177.528 176.300 0.036 0.000 1.180 868 M CA 0.201 55.534 55.300 0.055 0.000 0.985 868 M CB -0.353 32.279 32.600 0.054 0.000 1.623 868 M HN 0.692 nan 8.290 nan 0.000 0.475 869 S N -1.727 113.992 115.700 0.031 0.000 2.298 869 S HA 0.225 4.698 4.470 0.005 0.000 0.249 869 S C 0.072 174.681 174.600 0.015 0.000 0.952 869 S CA -0.508 57.705 58.200 0.021 0.000 1.557 869 S CB 0.084 63.296 63.200 0.020 0.000 1.218 869 S HN 0.221 nan 8.310 nan 0.000 0.613 870 I N 2.899 123.480 120.570 0.018 0.000 2.382 870 I HA 0.600 4.773 4.170 0.005 0.000 0.285 870 I C -0.880 175.237 176.117 -0.001 0.000 1.007 870 I CA 0.145 61.451 61.300 0.009 0.000 1.142 870 I CB 1.848 39.857 38.000 0.015 0.000 1.289 870 I HN 0.050 nan 8.210 nan 0.000 0.453 871 T N 4.182 118.727 114.554 -0.015 0.000 3.011 871 T HA 0.366 4.719 4.350 0.005 0.000 0.303 871 T C -0.332 174.333 174.700 -0.058 0.000 0.997 871 T CA -0.840 61.239 62.100 -0.034 0.000 1.007 871 T CB 1.261 70.113 68.868 -0.026 0.000 1.017 871 T HN 0.409 nan 8.240 nan 0.000 0.443 872 E N 1.892 122.037 120.200 -0.092 0.000 2.392 872 E HA 0.498 4.851 4.350 0.005 0.000 0.259 872 E C 0.062 176.544 176.600 -0.196 0.000 1.108 872 E CA -0.380 55.934 56.400 -0.143 0.000 0.916 872 E CB 0.655 30.243 29.700 -0.186 0.000 0.989 872 E HN 0.704 nan 8.360 nan 0.000 0.432 873 T N -0.792 113.635 114.554 -0.211 0.000 2.952 873 T HA 0.433 4.786 4.350 0.005 0.000 0.305 873 T C -0.667 173.923 174.700 -0.183 0.000 1.064 873 T CA -0.799 61.188 62.100 -0.188 0.000 1.008 873 T CB 0.385 69.217 68.868 -0.061 0.000 1.078 873 T HN 0.212 nan 8.240 nan 0.000 0.459 874 F N 2.424 122.385 119.950 0.017 0.000 2.438 874 F HA 0.538 5.068 4.527 0.005 0.000 0.356 874 F C 1.103 176.911 175.800 0.013 0.000 1.099 874 F CA -0.053 57.957 58.000 0.017 0.000 1.185 874 F CB 0.778 39.787 39.000 0.015 0.000 1.115 874 F HN 0.847 nan 8.300 nan 0.000 0.526 875 E N 1.389 121.719 120.200 0.216 0.000 2.389 875 E HA 0.121 4.474 4.350 0.005 0.000 0.281 875 E C -1.660 174.996 176.600 0.093 0.000 1.111 875 E CA -1.285 55.184 56.400 0.115 0.000 0.869 875 E CB 0.997 30.736 29.700 0.065 0.000 1.259 875 E HN 0.398 nan 8.360 nan 0.000 0.434 876 K N 2.506 122.942 120.400 0.060 0.000 2.166 876 K HA 0.192 4.515 4.320 0.005 0.000 0.273 876 K C -2.038 174.535 176.600 -0.045 0.000 1.095 876 K CA -1.196 55.117 56.287 0.043 0.000 0.985 876 K CB 0.092 32.619 32.500 0.045 0.000 1.172 876 K HN 0.328 nan 8.250 nan 0.000 0.401 877 P HA 0.160 nan 4.420 nan 0.000 0.278 877 P C -1.610 175.520 177.300 -0.282 0.000 1.258 877 P CA -0.443 62.557 63.100 -0.167 0.000 0.811 877 P CB 1.046 32.660 31.700 -0.143 0.000 1.063 878 Q N 0.258 119.944 119.800 -0.190 0.000 2.320 878 Q HA 0.556 4.899 4.340 0.005 0.000 0.272 878 Q C -0.241 175.689 176.000 -0.116 0.000 1.023 878 Q CA -0.902 54.790 55.803 -0.185 0.000 0.855 878 Q CB 1.954 30.608 28.738 -0.140 0.000 1.367 878 Q HN 0.249 nan 8.270 nan 0.000 0.406 879 R N -0.224 120.214 120.500 -0.104 0.000 3.910 879 R HA -0.132 4.211 4.340 0.005 0.000 0.415 879 R C -0.656 175.609 176.300 -0.058 0.000 0.241 879 R CA 1.414 57.474 56.100 -0.066 0.000 1.327 879 R CB -2.567 27.704 30.300 -0.047 0.000 1.012 879 R HN 0.926 nan 8.270 nan 0.000 0.557 880 T N 2.090 116.619 114.554 -0.041 0.000 2.864 880 T HA 0.448 4.801 4.350 0.005 0.000 0.299 880 T C 0.091 174.778 174.700 -0.022 0.000 1.011 880 T CA -0.060 62.020 62.100 -0.033 0.000 0.975 880 T CB 1.162 70.011 68.868 -0.030 0.000 0.962 880 T HN 0.469 nan 8.240 nan 0.000 0.448 881 N N 0.486 119.174 118.700 -0.020 0.000 2.909 881 N HA -0.161 4.582 4.740 0.005 0.000 0.242 881 N C 1.070 176.573 175.510 -0.012 0.000 0.975 881 N CA 1.715 54.757 53.050 -0.014 0.000 0.921 881 N CB -1.204 37.276 38.487 -0.010 0.000 1.112 881 N HN 0.621 nan 8.380 nan 0.000 0.581 882 T N -0.869 113.676 114.554 -0.016 0.000 3.034 882 T HA 0.258 4.611 4.350 0.005 0.000 0.248 882 T C 0.766 175.459 174.700 -0.012 0.000 1.040 882 T CA 0.529 62.621 62.100 -0.012 0.000 1.107 882 T CB 0.025 68.886 68.868 -0.012 0.000 0.932 882 T HN 0.184 nan 8.240 nan 0.000 0.474 883 L N 1.286 122.497 121.223 -0.019 0.000 3.991 883 L HA -0.183 4.160 4.340 0.005 0.000 0.437 883 L C 0.011 176.870 176.870 -0.017 0.000 1.138 883 L CA 1.158 55.986 54.840 -0.020 0.000 0.964 883 L CB -1.454 40.595 42.059 -0.017 0.000 1.867 883 L HN 0.219 nan 8.230 nan 0.000 1.028 884 R N -0.426 120.067 120.500 -0.011 0.000 2.422 884 R HA 0.638 4.981 4.340 0.005 0.000 0.307 884 R C 0.053 176.362 176.300 0.015 0.000 1.004 884 R CA -0.397 55.703 56.100 0.001 0.000 0.882 884 R CB 1.220 31.526 30.300 0.010 0.000 1.164 884 R HN 0.014 nan 8.270 nan 0.000 0.489 885 M N 0.814 120.428 119.600 0.023 0.000 2.739 885 M HA 0.511 4.994 4.480 0.005 0.000 0.284 885 M C -0.159 176.230 176.300 0.148 0.000 1.103 885 M CA -1.218 54.130 55.300 0.080 0.000 0.809 885 M CB 0.776 33.409 32.600 0.055 0.000 1.708 885 M HN 0.060 nan 8.290 nan 0.000 0.481 886 K N 0.524 121.104 120.400 0.300 0.000 2.154 886 K HA 0.207 4.530 4.320 0.005 0.000 0.264 886 K C 1.167 177.859 176.600 0.154 0.000 1.008 886 K CA 0.072 56.480 56.287 0.202 0.000 0.937 886 K CB 0.171 32.700 32.500 0.048 0.000 1.002 886 K HN 0.438 nan 8.250 nan 0.000 0.469 887 H N 0.253 119.350 119.070 0.046 0.000 2.457 887 H HA -0.075 4.482 4.556 0.003 0.000 0.297 887 H C 0.923 176.263 175.328 0.021 0.000 1.092 887 H CA 1.398 57.465 56.048 0.032 0.000 1.309 887 H CB 0.532 30.302 29.762 0.013 0.000 1.382 887 H HN 0.628 nan 8.280 nan 0.000 0.535 888 G N -0.421 108.432 108.800 0.090 0.000 2.857 888 G HA2 0.231 4.194 3.960 0.005 0.000 0.217 888 G HA3 0.231 4.194 3.960 0.005 0.000 0.217 888 G C -0.542 174.353 174.900 -0.008 0.000 1.357 888 G CA -0.438 44.669 45.100 0.012 0.000 1.033 888 G HN 0.114 nan 8.290 nan 0.000 0.571 889 T N -0.271 114.250 114.554 -0.055 0.000 2.845 889 T HA 0.330 4.683 4.350 0.005 0.000 0.288 889 T C -0.368 174.279 174.700 -0.089 0.000 0.980 889 T CA -0.022 62.078 62.100 -0.001 0.000 1.071 889 T CB 1.469 70.335 68.868 -0.003 0.000 0.941 889 T HN 0.355 nan 8.240 nan 0.000 0.487 890 Y N -0.152 120.145 120.300 -0.004 0.000 2.467 890 Y HA 0.169 4.719 4.550 0.001 0.000 0.250 890 Y C 1.814 177.707 175.900 -0.012 0.000 1.155 890 Y CA -0.562 57.533 58.100 -0.008 0.000 1.249 890 Y CB 0.169 38.628 38.460 -0.002 0.000 1.146 890 Y HN 0.605 nan 8.280 nan 0.000 0.524 891 D N 0.626 121.095 120.400 0.115 0.000 2.311 891 D HA -0.134 4.509 4.640 0.005 0.000 0.212 891 D C 1.243 177.562 176.300 0.032 0.000 0.972 891 D CA 1.162 55.200 54.000 0.064 0.000 0.887 891 D CB 0.119 40.944 40.800 0.041 0.000 0.915 891 D HN 0.408 nan 8.370 nan 0.000 0.497 892 K N -0.211 120.196 120.400 0.013 0.000 2.404 892 K HA 0.078 4.401 4.320 0.005 0.000 0.194 892 K C 0.429 177.021 176.600 -0.014 0.000 1.023 892 K CA -0.160 56.119 56.287 -0.013 0.000 1.094 892 K CB 0.710 33.186 32.500 -0.040 0.000 0.841 892 K HN 0.011 nan 8.250 nan 0.000 0.523 893 L N 0.527 121.757 121.223 0.012 0.000 2.569 893 L HA 0.118 4.461 4.340 0.005 0.000 0.247 893 L C 0.855 177.734 176.870 0.015 0.000 1.135 893 L CA 0.184 55.032 54.840 0.013 0.000 0.812 893 L CB 0.489 42.578 42.059 0.051 0.000 1.431 893 L HN -0.080 nan 8.230 nan 0.000 0.499 894 D N -1.482 118.924 120.400 0.011 0.000 3.435 894 D HA 0.196 4.839 4.640 0.005 0.000 0.209 894 D C 0.106 176.418 176.300 0.020 0.000 1.157 894 D CA -0.114 53.892 54.000 0.011 0.000 1.322 894 D CB 0.207 41.007 40.800 0.000 0.000 0.924 894 D HN 0.402 nan 8.370 nan 0.000 0.180 895 D N -0.756 119.654 120.400 0.017 0.000 2.449 895 D HA 0.014 4.657 4.640 0.005 0.000 0.255 895 D C 0.454 176.776 176.300 0.036 0.000 1.121 895 D CA 0.262 54.277 54.000 0.025 0.000 0.830 895 D CB 0.889 41.701 40.800 0.019 0.000 1.280 895 D HN 0.181 nan 8.370 nan 0.000 0.522 896 D N 0.341 120.756 120.400 0.024 0.000 2.317 896 D HA 0.083 4.726 4.640 0.005 0.000 0.211 896 D C 1.519 177.839 176.300 0.034 0.000 0.966 896 D CA 0.935 54.952 54.000 0.029 0.000 0.876 896 D CB -0.259 40.536 40.800 -0.008 0.000 0.927 896 D HN 0.156 nan 8.370 nan 0.000 0.519 897 G N -0.115 108.702 108.800 0.028 0.000 2.165 897 G HA2 -0.199 3.764 3.960 0.005 0.000 0.226 897 G HA3 -0.199 3.764 3.960 0.005 0.000 0.226 897 G C -0.323 174.563 174.900 -0.024 0.000 1.035 897 G CA 0.060 45.189 45.100 0.049 0.000 0.744 897 G HN 0.369 nan 8.290 nan 0.000 0.501 898 L N 0.195 121.383 121.223 -0.059 0.000 2.385 898 L HA 0.552 4.895 4.340 0.005 0.000 0.273 898 L C 0.922 177.749 176.870 -0.071 0.000 0.990 898 L CA -1.354 53.426 54.840 -0.101 0.000 0.821 898 L CB 1.874 43.847 42.059 -0.143 0.000 1.279 898 L HN 0.039 nan 8.230 nan 0.000 0.412 899 I N 2.653 123.173 120.570 -0.084 0.000 2.742 899 I HA 0.014 4.188 4.170 0.005 0.000 0.287 899 I C 0.968 177.045 176.117 -0.065 0.000 1.186 899 I CA 0.175 61.432 61.300 -0.073 0.000 1.417 899 I CB 0.701 38.645 38.000 -0.094 0.000 1.377 899 I HN 0.672 nan 8.210 nan 0.000 0.556 900 A N 8.991 131.782 122.820 -0.048 0.000 2.451 900 A HA 0.382 4.705 4.320 0.005 0.000 0.266 900 A C -1.993 175.566 177.584 -0.041 0.000 1.119 900 A CA -1.247 50.766 52.037 -0.040 0.000 0.786 900 A CB -0.634 18.349 19.000 -0.028 0.000 1.061 900 A HN 0.526 nan 8.150 nan 0.000 0.503 901 P HA 0.035 nan 4.420 nan 0.000 0.267 901 P C 1.166 178.445 177.300 -0.035 0.000 1.145 901 P CA 2.055 65.133 63.100 -0.038 0.000 0.753 901 P CB 0.185 31.869 31.700 -0.027 0.000 0.748 902 G N 0.921 109.697 108.800 -0.041 0.000 3.355 902 G HA2 -0.250 3.713 3.960 0.005 0.000 0.247 902 G HA3 -0.250 3.713 3.960 0.005 0.000 0.247 902 G C -0.213 174.662 174.900 -0.042 0.000 1.818 902 G CA -0.284 44.794 45.100 -0.037 0.000 1.309 902 G HN 0.655 nan 8.290 nan 0.000 0.546 903 V N 2.538 122.431 119.914 -0.036 0.000 3.129 903 V HA -0.147 3.976 4.120 0.005 0.000 0.240 903 V C 1.320 177.387 176.094 -0.045 0.000 1.932 903 V CA 2.084 64.362 62.300 -0.037 0.000 1.750 903 V CB -0.294 31.505 31.823 -0.040 0.000 0.873 903 V HN 0.851 nan 8.190 nan 0.000 0.471 904 R N 3.167 123.645 120.500 -0.038 0.000 2.528 904 R HA 0.732 5.075 4.340 0.005 0.000 0.271 904 R C -0.445 175.827 176.300 -0.047 0.000 1.056 904 R CA -0.609 55.467 56.100 -0.040 0.000 1.117 904 R CB 1.296 31.580 30.300 -0.027 0.000 1.085 904 R HN 0.745 nan 8.270 nan 0.000 0.530 905 V N -1.855 118.029 119.914 -0.051 0.000 2.686 905 V HA 0.739 4.862 4.120 0.005 0.000 0.306 905 V C -0.765 175.305 176.094 -0.041 0.000 1.065 905 V CA -0.605 61.659 62.300 -0.061 0.000 0.894 905 V CB 2.037 33.803 31.823 -0.096 0.000 1.004 905 V HN 0.779 nan 8.190 nan 0.000 0.424 906 S N 2.151 117.829 115.700 -0.037 0.000 2.556 906 S HA 0.958 5.431 4.470 0.005 0.000 0.271 906 S C 0.414 175.000 174.600 -0.023 0.000 1.135 906 S CA -0.004 58.184 58.200 -0.020 0.000 0.858 906 S CB 1.364 64.557 63.200 -0.010 0.000 1.114 906 S HN 2.363 nan 8.310 nan 0.000 0.468 907 G N 2.368 111.161 108.800 -0.012 0.000 2.578 907 G HA2 -0.290 3.673 3.960 0.005 0.000 0.284 907 G HA3 -0.290 3.673 3.960 0.005 0.000 0.284 907 G C 0.110 174.993 174.900 -0.028 0.000 1.283 907 G CA 0.497 45.589 45.100 -0.013 0.000 0.944 907 G HN 1.082 nan 8.290 nan 0.000 0.558 908 E N 0.827 121.008 120.200 -0.032 0.000 2.379 908 E HA 0.211 4.564 4.350 0.005 0.000 0.209 908 E C -0.488 176.059 176.600 -0.088 0.000 1.284 908 E CA 0.177 56.549 56.400 -0.047 0.000 1.333 908 E CB -0.377 29.305 29.700 -0.030 0.000 1.307 908 E HN 0.385 nan 8.360 nan 0.000 0.441 909 D N 1.338 121.679 120.400 -0.098 0.000 2.443 909 D HA 0.023 4.666 4.640 0.005 0.000 0.239 909 D C 0.227 176.405 176.300 -0.203 0.000 1.136 909 D CA -0.120 53.795 54.000 -0.141 0.000 0.879 909 D CB 1.240 41.969 40.800 -0.118 0.000 1.195 909 D HN -0.037 nan 8.370 nan 0.000 0.443 910 V N 2.466 122.211 119.914 -0.282 0.000 3.264 910 V HA 0.246 4.369 4.120 0.005 0.000 0.304 910 V C 1.408 177.363 176.094 -0.231 0.000 1.086 910 V CA 0.007 62.115 62.300 -0.321 0.000 1.090 910 V CB 1.091 32.575 31.823 -0.565 0.000 1.112 910 V HN 0.511 nan 8.190 nan 0.000 0.472 911 I N 0.321 120.766 120.570 -0.209 0.000 4.881 911 I HA 0.331 4.504 4.170 0.005 0.000 0.319 911 I C -0.239 175.790 176.117 -0.146 0.000 1.205 911 I CA 0.397 61.570 61.300 -0.211 0.000 1.368 911 I CB 0.742 38.528 38.000 -0.357 0.000 1.484 911 I HN 0.335 nan 8.210 nan 0.000 0.486 912 I N 1.403 121.915 120.570 -0.096 0.000 2.500 912 I HA 0.460 4.633 4.170 0.005 0.000 0.286 912 I C -0.319 175.858 176.117 0.100 0.000 1.063 912 I CA -0.505 60.780 61.300 -0.026 0.000 1.062 912 I CB 1.933 39.908 38.000 -0.042 0.000 1.223 912 I HN -0.014 nan 8.210 nan 0.000 0.435 913 G N 5.947 114.852 108.800 0.176 0.000 2.370 913 G HA2 0.659 4.623 3.960 0.005 0.000 0.317 913 G HA3 0.659 4.623 3.960 0.005 0.000 0.317 913 G C -0.832 174.240 174.900 0.286 0.000 1.162 913 G CA -0.458 44.798 45.100 0.260 0.000 0.922 913 G HN 0.642 nan 8.290 nan 0.000 0.454 914 K N 0.370 120.905 120.400 0.226 0.000 2.395 914 K HA 0.819 5.142 4.320 0.005 0.000 0.247 914 K C -0.715 175.905 176.600 0.033 0.000 0.973 914 K CA -0.821 55.531 56.287 0.108 0.000 0.828 914 K CB 2.092 34.555 32.500 -0.060 0.000 1.272 914 K HN 0.391 nan 8.250 nan 0.000 0.439 915 T N -1.231 113.310 114.554 -0.022 0.000 2.856 915 T HA 0.293 4.646 4.350 0.005 0.000 0.283 915 T C -0.527 174.148 174.700 -0.041 0.000 1.008 915 T CA -0.821 61.266 62.100 -0.021 0.000 0.997 915 T CB 1.625 70.481 68.868 -0.021 0.000 0.992 915 T HN 0.585 nan 8.240 nan 0.000 0.454 916 T N 3.115 117.655 114.554 -0.024 0.000 2.963 916 T HA 0.447 4.800 4.350 0.005 0.000 0.343 916 T C -2.828 171.862 174.700 -0.016 0.000 1.146 916 T CA -2.064 60.022 62.100 -0.024 0.000 1.016 916 T CB -0.091 68.768 68.868 -0.016 0.000 1.046 916 T HN 0.295 nan 8.240 nan 0.000 0.496 917 P HA 0.238 nan 4.420 nan 0.000 0.263 917 P C -0.745 176.552 177.300 -0.006 0.000 1.276 917 P CA -0.248 62.845 63.100 -0.012 0.000 0.986 917 P CB -0.114 31.578 31.700 -0.013 0.000 1.105 918 I N 2.723 123.291 120.570 -0.003 0.000 2.465 918 I HA 0.280 4.453 4.170 0.005 0.000 0.291 918 I C 0.737 176.856 176.117 0.002 0.000 1.014 918 I CA -0.402 60.899 61.300 0.001 0.000 1.093 918 I CB 2.046 40.048 38.000 0.004 0.000 1.267 918 I HN 0.246 nan 8.210 nan 0.000 0.431 934 K N 2.054 122.445 120.400 -0.015 0.000 2.416 934 K HA 0.377 4.700 4.320 0.005 0.000 0.283 934 K C -0.192 176.398 176.600 -0.016 0.000 1.037 934 K CA 0.112 56.388 56.287 -0.018 0.000 0.995 934 K CB 0.532 33.018 32.500 -0.024 0.000 0.938 934 K HN 0.322 nan 8.250 nan 0.000 0.475 935 R N 2.316 122.810 120.500 -0.010 0.000 2.460 935 R HA 0.059 4.402 4.340 0.005 0.000 0.303 935 R C -0.729 175.574 176.300 0.005 0.000 0.968 935 R CA -0.684 55.415 56.100 -0.002 0.000 0.889 935 R CB 0.982 31.284 30.300 0.003 0.000 1.123 935 R HN 0.612 nan 8.270 nan 0.000 0.455 936 D N 2.366 122.774 120.400 0.015 0.000 2.423 936 D HA 0.172 4.815 4.640 0.005 0.000 0.238 936 D C -0.391 175.943 176.300 0.057 0.000 1.142 936 D CA 0.592 54.616 54.000 0.040 0.000 0.884 936 D CB 1.240 42.078 40.800 0.062 0.000 1.199 936 D HN 0.587 nan 8.370 nan 0.000 0.438 937 A N 1.937 124.806 122.820 0.081 0.000 2.474 937 A HA 0.225 4.548 4.320 0.005 0.000 0.249 937 A C 0.093 177.742 177.584 0.108 0.000 0.891 937 A CA -0.035 52.048 52.037 0.076 0.000 1.135 937 A CB -0.666 18.359 19.000 0.042 0.000 1.191 937 A HN 0.530 nan 8.150 nan 0.000 0.471 938 S N 0.613 116.404 115.700 0.153 0.000 2.510 938 S HA 0.431 4.904 4.470 0.005 0.000 0.279 938 S C 0.213 174.863 174.600 0.083 0.000 1.284 938 S CA 0.183 58.480 58.200 0.163 0.000 1.059 938 S CB 0.321 63.703 63.200 0.304 0.000 0.901 938 S HN 0.289 nan 8.310 nan 0.000 0.491 939 T N 6.804 121.394 114.554 0.061 0.000 2.851 939 T HA 0.457 4.810 4.350 0.005 0.000 0.298 939 T C -2.108 172.564 174.700 -0.048 0.000 0.977 939 T CA -0.656 61.465 62.100 0.035 0.000 1.126 939 T CB 0.793 69.701 68.868 0.067 0.000 0.916 939 T HN 0.641 nan 8.240 nan 0.000 0.529 940 P HA 0.490 nan 4.420 nan 0.000 0.288 940 P C -0.644 176.599 177.300 -0.095 0.000 1.297 940 P CA -1.012 62.026 63.100 -0.103 0.000 0.864 940 P CB 0.906 32.566 31.700 -0.065 0.000 1.237 941 L N 0.838 121.982 121.223 -0.133 0.000 2.453 941 L HA 0.299 4.642 4.340 0.005 0.000 0.261 941 L C 0.631 177.547 176.870 0.078 0.000 1.179 941 L CA -0.351 54.437 54.840 -0.087 0.000 0.813 941 L CB -0.013 41.977 42.059 -0.114 0.000 1.110 941 L HN 0.215 nan 8.230 nan 0.000 0.466 942 R N 1.454 122.073 120.500 0.198 0.000 2.504 942 R HA -0.020 4.323 4.340 0.005 0.000 0.291 942 R C 1.378 177.717 176.300 0.064 0.000 0.974 942 R CA 0.807 56.987 56.100 0.133 0.000 1.077 942 R CB -0.153 30.236 30.300 0.149 0.000 0.926 942 R HN 0.853 nan 8.270 nan 0.000 0.407 943 S N 0.995 116.715 115.700 0.033 0.000 2.493 943 S HA -0.135 4.338 4.470 0.005 0.000 0.243 943 S C 1.213 175.824 174.600 0.017 0.000 0.991 943 S CA 1.491 59.698 58.200 0.011 0.000 0.957 943 S CB 0.036 63.232 63.200 -0.007 0.000 0.756 943 S HN 0.607 nan 8.310 nan 0.000 0.521 944 T N 1.008 115.580 114.554 0.030 0.000 3.038 944 T HA 0.194 4.547 4.350 0.005 0.000 0.244 944 T C 0.499 175.225 174.700 0.042 0.000 1.016 944 T CA 0.020 62.138 62.100 0.030 0.000 1.098 944 T CB 0.147 69.028 68.868 0.022 0.000 0.954 944 T HN 0.506 nan 8.240 nan 0.000 0.469 945 E N 2.710 122.952 120.200 0.070 0.000 2.369 945 E HA 0.358 4.711 4.350 0.005 0.000 0.255 945 E C -0.133 176.509 176.600 0.070 0.000 1.172 945 E CA -0.479 55.980 56.400 0.098 0.000 0.932 945 E CB 0.469 30.277 29.700 0.180 0.000 1.040 945 E HN 0.374 nan 8.360 nan 0.000 0.454 946 N N -0.282 118.461 118.700 0.073 0.000 2.504 946 N HA 0.541 5.285 4.740 0.005 0.000 0.268 946 N C -0.715 174.820 175.510 0.040 0.000 1.184 946 N CA -0.375 52.698 53.050 0.038 0.000 0.875 946 N CB 2.025 40.527 38.487 0.025 0.000 1.630 946 N HN 0.623 nan 8.380 nan 0.000 0.486 947 G N 0.200 109.003 108.800 0.006 0.000 2.336 947 G HA2 0.359 4.322 3.960 0.005 0.000 0.286 947 G HA3 0.359 4.322 3.960 0.005 0.000 0.286 947 G C -1.995 172.879 174.900 -0.044 0.000 1.269 947 G CA -0.738 44.355 45.100 -0.013 0.000 0.873 947 G HN 0.556 nan 8.290 nan 0.000 0.494 948 I N 0.933 121.460 120.570 -0.072 0.000 2.468 948 I HA 0.360 4.533 4.170 0.005 0.000 0.285 948 I C 0.346 176.398 176.117 -0.108 0.000 1.039 948 I CA -0.963 60.290 61.300 -0.078 0.000 1.074 948 I CB 2.071 40.032 38.000 -0.065 0.000 1.228 948 I HN 0.333 nan 8.210 nan 0.000 0.436 949 V N 5.432 125.289 119.914 -0.095 0.000 2.726 949 V HA -0.159 3.964 4.120 0.005 0.000 0.304 949 V C 0.677 176.717 176.094 -0.090 0.000 1.115 949 V CA 1.008 63.251 62.300 -0.096 0.000 1.264 949 V CB 0.494 32.267 31.823 -0.084 0.000 0.867 949 V HN 0.845 nan 8.190 nan 0.000 0.498 950 D N 1.876 122.221 120.400 -0.090 0.000 2.566 950 D HA 0.146 4.789 4.640 0.005 0.000 0.253 950 D C 0.597 176.891 176.300 -0.010 0.000 0.992 950 D CA 0.698 54.659 54.000 -0.066 0.000 0.940 950 D CB 0.495 41.235 40.800 -0.101 0.000 1.095 950 D HN 0.837 nan 8.370 nan 0.000 0.480 951 Q N -0.706 119.096 119.800 0.002 0.000 2.479 951 Q HA 0.472 4.815 4.340 0.005 0.000 0.276 951 Q C -1.653 174.344 176.000 -0.005 0.000 0.989 951 Q CA -0.856 54.949 55.803 0.004 0.000 0.864 951 Q CB 1.750 30.502 28.738 0.024 0.000 1.444 951 Q HN -0.085 nan 8.270 nan 0.000 0.388 952 V N 1.844 121.745 119.914 -0.021 0.000 3.193 952 V HA 0.766 4.889 4.120 0.005 0.000 0.320 952 V C -0.193 175.888 176.094 -0.022 0.000 1.112 952 V CA -0.742 61.535 62.300 -0.038 0.000 1.026 952 V CB 1.652 33.431 31.823 -0.072 0.000 1.128 952 V HN 0.815 nan 8.190 nan 0.000 0.452 953 L N -0.458 120.745 121.223 -0.033 0.000 2.556 953 L HA 0.869 5.212 4.340 0.005 0.000 0.257 953 L C -1.373 175.487 176.870 -0.017 0.000 0.955 953 L CA -0.763 54.074 54.840 -0.005 0.000 0.850 953 L CB 1.973 44.055 42.059 0.038 0.000 1.398 953 L HN 0.292 nan 8.230 nan 0.000 0.412 954 V N 0.922 120.842 119.914 0.010 0.000 2.513 954 V HA 0.903 5.026 4.120 0.005 0.000 0.299 954 V C 0.080 176.243 176.094 0.115 0.000 1.035 954 V CA 0.058 62.377 62.300 0.031 0.000 0.889 954 V CB 1.595 33.419 31.823 0.001 0.000 0.988 954 V HN 1.063 nan 8.190 nan 0.000 0.440 955 T N 1.431 116.111 114.554 0.211 0.000 2.626 955 T HA 0.464 4.817 4.350 0.005 0.000 0.299 955 T C -0.810 174.008 174.700 0.197 0.000 1.181 955 T CA -0.552 61.666 62.100 0.197 0.000 1.053 955 T CB 2.050 71.040 68.868 0.203 0.000 1.566 955 T HN 0.585 nan 8.240 nan 0.000 0.486 956 T N 2.035 116.636 114.554 0.078 0.000 2.879 956 T HA 0.482 4.836 4.350 0.005 0.000 0.290 956 T C -0.829 173.798 174.700 -0.123 0.000 0.993 956 T CA -0.564 61.549 62.100 0.022 0.000 0.975 956 T CB 0.891 69.767 68.868 0.014 0.000 0.981 956 T HN 0.545 nan 8.240 nan 0.000 0.439 957 N N 2.841 121.433 118.700 -0.181 0.000 2.439 957 N HA 0.179 4.922 4.740 0.005 0.000 0.249 957 N C 1.121 176.551 175.510 -0.133 0.000 1.003 957 N CA -0.248 52.639 53.050 -0.271 0.000 0.942 957 N CB 0.454 38.696 38.487 -0.408 0.000 1.115 957 N HN 0.772 nan 8.380 nan 0.000 0.505 958 Q N 1.607 121.339 119.800 -0.113 0.000 1.790 958 Q HA -0.377 3.966 4.340 0.005 0.000 0.172 958 Q C -0.674 175.300 176.000 -0.044 0.000 2.943 958 Q CA 2.280 58.042 55.803 -0.067 0.000 0.194 958 Q CB -0.567 28.140 28.738 -0.052 0.000 0.229 958 Q HN 0.708 nan 8.270 nan 0.000 0.360 959 D N -0.257 120.115 120.400 -0.047 0.000 2.943 959 D HA 0.265 4.908 4.640 0.005 0.000 0.249 959 D C 0.244 176.523 176.300 -0.035 0.000 1.231 959 D CA 0.847 54.822 54.000 -0.041 0.000 0.979 959 D CB -0.233 40.530 40.800 -0.063 0.000 1.053 959 D HN 0.631 nan 8.370 nan 0.000 0.504 960 G N 1.582 110.371 108.800 -0.019 0.000 2.356 960 G HA2 -0.294 3.669 3.960 0.005 0.000 0.296 960 G HA3 -0.294 3.669 3.960 0.005 0.000 0.296 960 G C 0.287 175.194 174.900 0.013 0.000 1.022 960 G CA 0.121 45.220 45.100 -0.001 0.000 0.961 960 G HN 0.422 nan 8.290 nan 0.000 0.510 961 L N -0.841 120.395 121.223 0.022 0.000 2.334 961 L HA 0.444 4.787 4.340 0.005 0.000 0.277 961 L C 0.889 177.847 176.870 0.148 0.000 1.075 961 L CA -0.810 54.072 54.840 0.069 0.000 0.804 961 L CB 1.467 43.568 42.059 0.071 0.000 1.174 961 L HN 0.112 nan 8.230 nan 0.000 0.438 962 K N 2.672 123.184 120.400 0.186 0.000 2.284 962 K HA 0.317 4.640 4.320 0.005 0.000 0.287 962 K C -1.306 175.582 176.600 0.480 0.000 1.081 962 K CA -0.224 56.248 56.287 0.309 0.000 0.910 962 K CB 0.461 33.144 32.500 0.305 0.000 1.088 962 K HN 0.290 nan 8.250 nan 0.000 0.478 963 F N 4.179 124.260 119.950 0.217 0.000 2.540 963 F HA 0.496 5.027 4.527 0.007 0.000 0.317 963 F C -1.300 174.541 175.800 0.069 0.000 1.104 963 F CA -0.744 57.350 58.000 0.156 0.000 0.913 963 F CB 1.452 40.505 39.000 0.089 0.000 1.170 963 F HN 0.125 nan 8.300 nan 0.000 0.450 964 V N 5.307 124.851 119.914 -0.617 0.000 2.686 964 V HA 0.424 4.547 4.120 0.005 0.000 0.306 964 V C -0.993 174.782 176.094 -0.533 0.000 1.065 964 V CA -1.074 60.938 62.300 -0.479 0.000 0.894 964 V CB 2.157 33.689 31.823 -0.485 0.000 1.004 964 V HN 0.654 nan 8.190 nan 0.000 0.424 965 K N 3.291 123.513 120.400 -0.297 0.000 2.579 965 K HA 0.556 4.879 4.320 0.005 0.000 0.225 965 K C -1.236 175.323 176.600 -0.068 0.000 0.992 965 K CA -0.392 55.799 56.287 -0.160 0.000 1.018 965 K CB 1.931 34.395 32.500 -0.061 0.000 1.249 965 K HN 0.482 nan 8.250 nan 0.000 0.489 966 V N 4.988 124.874 119.914 -0.046 0.000 2.368 966 V HA 0.254 4.377 4.120 0.005 0.000 0.266 966 V C 0.370 176.502 176.094 0.064 0.000 1.045 966 V CA -0.533 61.750 62.300 -0.027 0.000 0.899 966 V CB 0.582 32.350 31.823 -0.091 0.000 1.006 966 V HN 0.656 nan 8.190 nan 0.000 0.470 967 R N 4.716 125.244 120.500 0.046 0.000 2.607 967 R HA 0.871 5.214 4.340 0.005 0.000 0.261 967 R C -1.349 174.955 176.300 0.006 0.000 1.051 967 R CA -0.597 55.549 56.100 0.076 0.000 1.110 967 R CB 1.748 32.107 30.300 0.098 0.000 1.158 967 R HN 0.341 nan 8.270 nan 0.000 0.543 968 V N 0.437 120.332 119.914 -0.032 0.000 3.102 968 V HA 0.614 4.737 4.120 0.005 0.000 0.312 968 V C -0.585 175.322 176.094 -0.312 0.000 1.135 968 V CA -1.121 61.103 62.300 -0.126 0.000 1.022 968 V CB 1.928 33.721 31.823 -0.050 0.000 1.056 968 V HN 0.781 nan 8.190 nan 0.000 0.436 969 R N 1.122 121.422 120.500 -0.333 0.000 2.538 969 R HA 0.637 4.980 4.340 0.005 0.000 0.292 969 R C -1.441 174.717 176.300 -0.236 0.000 1.008 969 R CA -0.177 55.619 56.100 -0.506 0.000 0.896 969 R CB 2.193 32.060 30.300 -0.721 0.000 1.187 969 R HN 0.935 nan 8.270 nan 0.000 0.440 970 T N 1.396 115.873 114.554 -0.129 0.000 2.885 970 T HA 0.285 4.638 4.350 0.005 0.000 0.285 970 T C -0.104 174.655 174.700 0.100 0.000 1.019 970 T CA -0.540 61.587 62.100 0.044 0.000 1.010 970 T CB 1.945 70.929 68.868 0.192 0.000 1.022 970 T HN 0.361 nan 8.240 nan 0.000 0.466 971 T N 2.610 117.231 114.554 0.112 0.000 2.817 971 T HA 0.346 4.699 4.350 0.005 0.000 0.293 971 T C -0.241 174.529 174.700 0.116 0.000 0.964 971 T CA -0.323 61.877 62.100 0.167 0.000 1.085 971 T CB 0.178 69.152 68.868 0.176 0.000 0.921 971 T HN 0.366 nan 8.240 nan 0.000 0.502 972 K N 4.248 124.716 120.400 0.113 0.000 2.323 972 K HA 0.529 4.852 4.320 0.005 0.000 0.259 972 K C -0.720 175.891 176.600 0.018 0.000 0.947 972 K CA -0.593 55.725 56.287 0.053 0.000 0.819 972 K CB 1.389 33.905 32.500 0.028 0.000 1.109 972 K HN 0.538 nan 8.250 nan 0.000 0.429 973 I N 4.190 124.765 120.570 0.009 0.000 2.377 973 I HA 0.263 4.436 4.170 0.005 0.000 0.293 973 I C -2.145 174.003 176.117 0.053 0.000 0.987 973 I CA -2.772 58.531 61.300 0.005 0.000 1.185 973 I CB 1.588 39.581 38.000 -0.013 0.000 1.341 973 I HN 0.290 nan 8.210 nan 0.000 0.455 974 P HA -0.033 nan 4.420 nan 0.000 0.250 974 P C -0.106 177.272 177.300 0.129 0.000 1.198 974 P CA 0.513 63.736 63.100 0.205 0.000 1.118 974 P CB 0.246 32.074 31.700 0.213 0.000 1.208 975 Q N 2.680 122.555 119.800 0.125 0.000 1.738 975 Q HA 0.225 4.568 4.340 0.005 0.000 0.471 975 Q C 0.861 176.902 176.000 0.069 0.000 0.931 975 Q CA 0.594 56.441 55.803 0.072 0.000 0.869 975 Q CB 0.080 28.848 28.738 0.050 0.000 1.561 975 Q HN 0.344 nan 8.270 nan 0.000 0.400 976 I N -1.805 118.810 120.570 0.075 0.000 4.604 976 I HA 0.219 4.392 4.170 0.005 0.000 0.384 976 I C 0.104 176.264 176.117 0.072 0.000 1.155 976 I CA 0.292 61.626 61.300 0.057 0.000 1.313 976 I CB 1.328 39.346 38.000 0.030 0.000 2.167 976 I HN 0.435 nan 8.210 nan 0.000 0.704 977 G N -0.072 108.780 108.800 0.088 0.000 4.213 977 G HA2 0.158 4.121 3.960 0.005 0.000 0.274 977 G HA3 0.158 4.121 3.960 0.005 0.000 0.274 977 G C -0.577 174.373 174.900 0.083 0.000 1.033 977 G CA -0.242 44.904 45.100 0.077 0.000 0.822 977 G HN 0.164 nan 8.290 nan 0.000 0.432 978 D N 1.497 121.978 120.400 0.135 0.000 2.425 978 D HA 0.144 4.787 4.640 0.005 0.000 0.247 978 D C 0.342 176.640 176.300 -0.004 0.000 1.147 978 D CA 0.305 54.313 54.000 0.013 0.000 0.879 978 D CB 1.994 42.776 40.800 -0.030 0.000 1.179 978 D HN 0.126 nan 8.370 nan 0.000 0.456 979 K N 1.497 121.795 120.400 -0.170 0.000 2.326 979 K HA 0.278 4.601 4.320 0.005 0.000 0.275 979 K C -0.910 175.441 176.600 -0.415 0.000 1.018 979 K CA 0.068 56.288 56.287 -0.111 0.000 0.962 979 K CB 0.422 32.870 32.500 -0.087 0.000 0.953 979 K HN 0.193 nan 8.250 nan 0.000 0.475 980 F N 0.827 120.756 119.950 -0.035 0.000 2.764 980 F HA 0.766 5.296 4.527 0.004 0.000 0.347 980 F C -0.284 175.509 175.800 -0.011 0.000 1.151 980 F CA -0.656 57.311 58.000 -0.055 0.000 1.021 980 F CB 1.937 40.916 39.000 -0.035 0.000 1.438 980 F HN 0.584 nan 8.300 nan 0.000 0.516 981 A N -0.190 122.740 122.820 0.183 0.000 2.597 981 A HA 0.675 4.998 4.320 0.005 0.000 0.292 981 A C -1.067 176.325 177.584 -0.319 0.000 1.057 981 A CA -0.542 51.493 52.037 -0.003 0.000 0.674 981 A CB 0.794 19.767 19.000 -0.046 0.000 1.278 981 A HN 0.568 nan 8.150 nan 0.000 0.416 982 S N -0.490 114.921 115.700 -0.481 0.000 2.307 982 S HA 0.410 4.883 4.470 0.005 0.000 0.252 982 S C 0.995 175.385 174.600 -0.349 0.000 1.204 982 S CA -0.220 57.525 58.200 -0.758 0.000 1.018 982 S CB 0.123 63.100 63.200 -0.372 0.000 1.077 982 S HN 0.641 nan 8.310 nan 0.000 0.454 983 R N -0.190 120.111 120.500 -0.331 0.000 2.437 983 R HA 0.229 4.572 4.340 0.005 0.000 0.257 983 R C -0.415 175.507 176.300 -0.630 0.000 0.927 983 R CA 0.219 56.048 56.100 -0.452 0.000 1.078 983 R CB 0.209 30.232 30.300 -0.462 0.000 1.161 983 R HN 0.539 nan 8.270 nan 0.000 0.529 984 H N -1.564 117.528 119.070 0.036 0.000 2.676 984 H HA 0.326 4.885 4.556 0.005 0.000 0.238 984 H C 0.568 175.941 175.328 0.075 0.000 1.276 984 H CA -0.100 55.995 56.048 0.078 0.000 0.983 984 H CB 1.010 30.843 29.762 0.119 0.000 2.000 984 H HN 0.186 nan 8.280 nan 0.000 0.584 985 G N 1.244 110.108 108.800 0.106 0.000 2.160 985 G HA2 -0.290 3.673 3.960 0.005 0.000 0.244 985 G HA3 -0.290 3.673 3.960 0.005 0.000 0.244 985 G C 0.285 175.175 174.900 -0.018 0.000 1.022 985 G CA -0.347 44.785 45.100 0.054 0.000 0.741 985 G HN 0.384 nan 8.290 nan 0.000 0.508 986 Q N 0.401 120.216 119.800 0.025 0.000 2.823 986 Q HA 0.116 4.459 4.340 0.005 0.000 0.370 986 Q C 0.989 176.996 176.000 0.012 0.000 1.110 986 Q CA 0.119 55.930 55.803 0.013 0.000 0.990 986 Q CB 0.083 28.863 28.738 0.070 0.000 1.383 986 Q HN 0.899 nan 8.270 nan 0.000 0.430 987 K N -0.680 119.702 120.400 -0.029 0.000 2.472 987 K HA 0.356 4.679 4.320 0.005 0.000 0.280 987 K C 0.192 176.805 176.600 0.023 0.000 1.028 987 K CA 0.128 56.406 56.287 -0.014 0.000 1.045 987 K CB 0.494 32.951 32.500 -0.072 0.000 0.902 987 K HN 0.140 nan 8.250 nan 0.000 0.478 988 G N 0.890 109.743 108.800 0.090 0.000 2.680 988 G HA2 0.478 4.441 3.960 0.005 0.000 0.290 988 G HA3 0.478 4.441 3.960 0.005 0.000 0.290 988 G C -1.510 173.474 174.900 0.140 0.000 1.355 988 G CA -0.740 44.423 45.100 0.104 0.000 0.903 988 G HN 0.567 nan 8.290 nan 0.000 0.474 989 T N -0.111 114.510 114.554 0.113 0.000 2.887 989 T HA 0.552 4.905 4.350 0.005 0.000 0.288 989 T C 0.364 175.131 174.700 0.112 0.000 1.021 989 T CA -0.603 61.584 62.100 0.146 0.000 1.000 989 T CB 0.658 69.577 68.868 0.084 0.000 1.034 989 T HN 0.416 nan 8.240 nan 0.000 0.467 990 I N 3.641 124.284 120.570 0.123 0.000 2.752 990 I HA 0.187 4.360 4.170 0.005 0.000 0.289 990 I C 1.553 177.689 176.117 0.033 0.000 1.197 990 I CA 0.447 61.754 61.300 0.012 0.000 1.432 990 I CB 0.597 38.595 38.000 -0.003 0.000 1.359 990 I HN 0.912 nan 8.210 nan 0.000 0.571 991 G N 6.355 115.163 108.800 0.013 0.000 2.759 991 G HA2 0.341 4.304 3.960 0.005 0.000 0.208 991 G HA3 0.341 4.304 3.960 0.005 0.000 0.208 991 G C -0.056 174.864 174.900 0.033 0.000 1.076 991 G CA 0.275 45.415 45.100 0.066 0.000 0.789 991 G HN 0.423 nan 8.290 nan 0.000 0.546 992 I N -0.287 120.225 120.570 -0.097 0.000 2.842 992 I HA 0.491 4.664 4.170 0.005 0.000 0.297 992 I C -1.338 174.604 176.117 -0.292 0.000 1.380 992 I CA -0.671 60.477 61.300 -0.252 0.000 1.018 992 I CB 2.515 40.163 38.000 -0.588 0.000 1.311 992 I HN -0.120 nan 8.210 nan 0.000 0.439 993 T N 5.926 120.371 114.554 -0.182 0.000 2.791 993 T HA 0.592 4.945 4.350 0.005 0.000 0.288 993 T C -1.320 173.448 174.700 0.114 0.000 0.999 993 T CA -0.109 61.939 62.100 -0.087 0.000 0.952 993 T CB 0.055 68.905 68.868 -0.029 0.000 0.938 993 T HN 0.359 nan 8.240 nan 0.000 0.444 994 Y N 3.125 123.387 120.300 -0.064 0.000 2.420 994 Y HA 0.546 5.099 4.550 0.005 0.000 0.334 994 Y C 0.931 176.798 175.900 -0.055 0.000 1.094 994 Y CA -1.698 56.373 58.100 -0.049 0.000 1.126 994 Y CB 1.706 40.157 38.460 -0.015 0.000 1.217 994 Y HN 0.486 nan 8.280 nan 0.000 0.462 995 R N 0.875 121.435 120.500 0.101 0.000 2.707 995 R HA 0.096 4.439 4.340 0.005 0.000 0.270 995 R C 1.359 177.655 176.300 -0.007 0.000 1.083 995 R CA -0.039 56.069 56.100 0.013 0.000 1.182 995 R CB 0.438 30.720 30.300 -0.030 0.000 1.084 995 R HN 0.682 nan 8.270 nan 0.000 0.528 996 R N 0.731 121.212 120.500 -0.032 0.000 2.200 996 R HA -0.184 4.159 4.340 0.005 0.000 0.234 996 R C 0.602 176.852 176.300 -0.084 0.000 1.127 996 R CA 2.125 58.196 56.100 -0.047 0.000 0.989 996 R CB 0.139 30.406 30.300 -0.055 0.000 0.869 996 R HN 0.658 nan 8.270 nan 0.000 0.459 997 E N -0.497 119.638 120.200 -0.108 0.000 2.250 997 E HA -0.037 4.316 4.350 0.005 0.000 0.192 997 E C 0.728 177.215 176.600 -0.188 0.000 0.986 997 E CA 1.191 57.497 56.400 -0.158 0.000 0.849 997 E CB 0.198 29.811 29.700 -0.145 0.000 0.797 997 E HN 0.489 nan 8.360 nan 0.000 0.482 998 D N -0.201 120.078 120.400 -0.202 0.000 2.349 998 D HA 0.055 4.698 4.640 0.005 0.000 0.215 998 D C 0.063 176.322 176.300 -0.068 0.000 1.016 998 D CA 0.073 53.858 54.000 -0.357 0.000 0.870 998 D CB 0.098 40.596 40.800 -0.503 0.000 0.917 998 D HN 0.054 nan 8.370 nan 0.000 0.524 999 M N 1.801 121.403 119.600 0.003 0.000 2.243 999 M HA 0.211 4.694 4.480 0.005 0.000 0.341 999 M C -2.311 174.052 176.300 0.105 0.000 1.130 999 M CA -2.128 53.179 55.300 0.013 0.000 1.162 999 M CB 0.672 33.280 32.600 0.013 0.000 1.497 999 M HN -0.172 nan 8.290 nan 0.000 0.456 1000 P HA 0.285 nan 4.420 nan 0.000 0.274 1000 P C -1.536 175.966 177.300 0.337 0.000 1.237 1000 P CA -0.108 63.134 63.100 0.237 0.000 0.793 1000 P CB 0.270 31.971 31.700 0.002 0.000 0.977 1001 F N -2.791 117.210 119.950 0.086 0.000 2.628 1001 F HA 0.527 5.058 4.527 0.005 0.000 0.309 1001 F C -0.313 175.527 175.800 0.068 0.000 1.108 1001 F CA -1.089 56.942 58.000 0.053 0.000 0.971 1001 F CB 1.086 40.117 39.000 0.052 0.000 1.279 1001 F HN 0.165 nan 8.300 nan 0.000 0.441 1002 T N 1.019 115.507 114.554 -0.110 0.000 2.813 1002 T HA 0.439 4.792 4.350 0.005 0.000 0.297 1002 T C 1.241 175.950 174.700 0.016 0.000 1.036 1002 T CA 0.334 62.329 62.100 -0.175 0.000 1.044 1002 T CB 1.233 69.908 68.868 -0.321 0.000 0.993 1002 T HN 0.937 nan 8.240 nan 0.000 0.535 1003 A N 2.028 124.899 122.820 0.085 0.000 2.216 1003 A HA 0.035 4.358 4.320 0.005 0.000 0.214 1003 A C 1.736 179.361 177.584 0.068 0.000 1.160 1003 A CA 1.144 53.255 52.037 0.124 0.000 0.725 1003 A CB -0.412 18.694 19.000 0.177 0.000 0.784 1003 A HN 0.924 nan 8.150 nan 0.000 0.472 1004 E N -1.581 118.656 120.200 0.062 0.000 2.463 1004 E HA 0.288 4.641 4.350 0.005 0.000 0.193 1004 E C 1.132 177.788 176.600 0.093 0.000 1.041 1004 E CA 0.247 56.686 56.400 0.065 0.000 0.879 1004 E CB 0.031 29.774 29.700 0.071 0.000 0.997 1004 E HN 0.677 nan 8.360 nan 0.000 0.478 1005 G N 1.400 110.293 108.800 0.154 0.000 2.176 1005 G HA2 -0.235 3.728 3.960 0.005 0.000 0.253 1005 G HA3 -0.235 3.728 3.960 0.005 0.000 0.253 1005 G C 0.320 175.317 174.900 0.163 0.000 0.979 1005 G CA -0.276 44.936 45.100 0.187 0.000 0.641 1005 G HN 0.202 nan 8.290 nan 0.000 0.530 1006 I N 1.791 122.447 120.570 0.144 0.000 2.587 1006 I HA 0.220 4.393 4.170 0.005 0.000 0.284 1006 I C 1.250 177.507 176.117 0.233 0.000 1.134 1006 I CA -0.116 61.285 61.300 0.168 0.000 1.410 1006 I CB 0.622 38.748 38.000 0.210 0.000 1.392 1006 I HN -0.101 nan 8.210 nan 0.000 0.545 1007 V N 9.421 129.455 119.914 0.199 0.000 2.834 1007 V HA 0.285 4.408 4.120 0.005 0.000 0.301 1007 V C -1.946 174.292 176.094 0.241 0.000 1.066 1007 V CA -1.178 61.238 62.300 0.194 0.000 1.052 1007 V CB 1.537 33.406 31.823 0.076 0.000 1.021 1007 V HN 0.662 nan 8.190 nan 0.000 0.480 1008 P HA 0.326 nan 4.420 nan 0.000 0.294 1008 P C -0.225 177.008 177.300 -0.111 0.000 1.294 1008 P CA -0.525 62.566 63.100 -0.014 0.000 0.827 1008 P CB 0.936 32.613 31.700 -0.039 0.000 0.992 1009 D N 1.053 121.339 120.400 -0.190 0.000 2.378 1009 D HA 0.017 4.660 4.640 0.005 0.000 0.222 1009 D C 0.112 176.274 176.300 -0.229 0.000 0.980 1009 D CA 1.292 55.174 54.000 -0.197 0.000 0.907 1009 D CB 0.150 40.809 40.800 -0.235 0.000 0.899 1009 D HN 0.115 nan 8.370 nan 0.000 0.527 1010 L N 0.461 121.538 121.223 -0.242 0.000 2.982 1010 L HA 0.231 4.574 4.340 0.005 0.000 0.262 1010 L C -1.707 175.036 176.870 -0.212 0.000 0.932 1010 L CA -0.421 54.255 54.840 -0.274 0.000 1.058 1010 L CB 1.464 43.274 42.059 -0.416 0.000 1.665 1010 L HN -0.275 nan 8.230 nan 0.000 0.499 1011 I N 5.547 126.025 120.570 -0.154 0.000 2.405 1011 I HA 0.481 4.654 4.170 0.005 0.000 0.280 1011 I C 0.334 176.431 176.117 -0.033 0.000 1.027 1011 I CA -0.267 60.988 61.300 -0.076 0.000 1.161 1011 I CB 1.068 39.041 38.000 -0.046 0.000 1.300 1011 I HN 0.464 nan 8.210 nan 0.000 0.463 1012 I N 2.443 123.013 120.570 -0.000 0.000 2.532 1012 I HA 0.541 4.714 4.170 0.005 0.000 0.292 1012 I C 0.024 176.184 176.117 0.071 0.000 1.014 1012 I CA -0.425 60.908 61.300 0.054 0.000 1.340 1012 I CB 1.176 39.248 38.000 0.119 0.000 1.422 1012 I HN 0.586 nan 8.210 nan 0.000 0.528 1013 N N 6.556 125.300 118.700 0.074 0.000 2.426 1013 N HA 0.400 5.143 4.740 0.005 0.000 0.275 1013 N C -1.934 173.607 175.510 0.051 0.000 1.019 1013 N CA -2.078 51.023 53.050 0.084 0.000 0.941 1013 N CB 1.256 39.815 38.487 0.119 0.000 1.123 1013 N HN 0.462 nan 8.380 nan 0.000 0.486 1014 P HA -0.056 nan 4.420 nan 0.000 0.252 1014 P C 0.012 177.225 177.300 -0.145 0.000 1.265 1014 P CA 0.629 63.686 63.100 -0.071 0.000 0.775 1014 P CB -0.002 31.653 31.700 -0.075 0.000 1.128 1015 H N -0.148 118.921 119.070 -0.002 0.000 2.535 1015 H HA 0.203 4.762 4.556 0.005 0.000 0.273 1015 H C 1.915 177.225 175.328 -0.030 0.000 0.983 1015 H CA 1.010 57.050 56.048 -0.013 0.000 1.238 1015 H CB -0.077 29.681 29.762 -0.006 0.000 1.412 1015 H HN 0.182 nan 8.280 nan 0.000 0.562 1016 A N 0.787 123.644 122.820 0.061 0.000 2.119 1016 A HA -0.028 4.295 4.320 0.005 0.000 0.216 1016 A C 2.156 179.708 177.584 -0.053 0.000 1.152 1016 A CA 0.357 52.393 52.037 -0.001 0.000 0.708 1016 A CB -0.203 18.785 19.000 -0.019 0.000 0.805 1016 A HN 0.107 nan 8.150 nan 0.000 0.460 1017 I N 0.453 120.979 120.570 -0.073 0.000 2.163 1017 I HA -0.085 4.088 4.170 0.005 0.000 0.240 1017 I C -0.685 175.388 176.117 -0.073 0.000 1.081 1017 I CA 1.176 62.409 61.300 -0.111 0.000 1.353 1017 I CB -2.170 35.747 38.000 -0.138 0.000 1.054 1017 I HN 0.210 nan 8.210 nan 0.000 0.407 1018 P HA 0.062 nan 4.420 nan 0.000 0.257 1018 P C 1.162 178.455 177.300 -0.012 0.000 1.241 1018 P CA 0.590 63.672 63.100 -0.031 0.000 0.816 1018 P CB 0.024 31.711 31.700 -0.023 0.000 1.150 1019 S N 0.151 115.847 115.700 -0.006 0.000 2.577 1019 S HA 0.130 4.603 4.470 0.005 0.000 0.219 1019 S C 1.047 175.643 174.600 -0.006 0.000 0.962 1019 S CA -0.522 57.677 58.200 -0.002 0.000 0.921 1019 S CB -0.521 62.681 63.200 0.002 0.000 0.789 1019 S HN 0.146 nan 8.310 nan 0.000 0.497 1020 R N 0.029 120.521 120.500 -0.012 0.000 2.563 1020 R HA 0.335 4.678 4.340 0.005 0.000 0.443 1020 R C 0.020 176.322 176.300 0.003 0.000 0.956 1020 R CA -0.407 55.692 56.100 -0.001 0.000 1.141 1020 R CB -0.435 29.857 30.300 -0.013 0.000 1.553 1020 R HN 0.259 nan 8.270 nan 0.000 0.577 1021 M N 0.238 119.833 119.600 -0.009 0.000 2.835 1021 M HA -0.169 4.314 4.480 0.005 0.000 0.177 1021 M C 0.441 176.734 176.300 -0.011 0.000 0.640 1021 M CA 1.676 56.973 55.300 -0.006 0.000 0.635 1021 M CB -2.941 29.669 32.600 0.015 0.000 2.307 1021 M HN 0.300 nan 8.290 nan 0.000 0.400 1022 T N 1.006 115.541 114.554 -0.030 0.000 3.462 1022 T HA 0.371 4.724 4.350 0.005 0.000 0.257 1022 T C 1.317 175.959 174.700 -0.096 0.000 1.015 1022 T CA 0.121 62.198 62.100 -0.038 0.000 1.135 1022 T CB -0.193 68.655 68.868 -0.033 0.000 1.061 1022 T HN 0.224 nan 8.240 nan 0.000 0.772 1023 V N 4.281 124.150 119.914 -0.075 0.000 2.649 1023 V HA 0.031 4.154 4.120 0.005 0.000 0.248 1023 V C 2.771 178.748 176.094 -0.194 0.000 1.054 1023 V CA 1.531 63.765 62.300 -0.110 0.000 1.073 1023 V CB -1.003 30.792 31.823 -0.047 0.000 0.699 1023 V HN 0.882 nan 8.190 nan 0.000 0.463 1024 A N -0.010 122.692 122.820 -0.197 0.000 1.849 1024 A HA -0.363 3.960 4.320 0.005 0.000 0.217 1024 A C 2.180 179.480 177.584 -0.474 0.000 1.202 1024 A CA 2.365 54.212 52.037 -0.317 0.000 0.629 1024 A CB -1.180 17.763 19.000 -0.094 0.000 0.834 1024 A HN 0.662 nan 8.150 nan 0.000 0.447 1025 H N 0.400 118.885 119.070 -0.975 0.000 2.273 1025 H HA -0.241 4.318 4.556 0.005 0.000 0.284 1025 H C 1.926 177.127 175.328 -0.212 0.000 1.113 1025 H CA 2.612 58.247 56.048 -0.689 0.000 1.169 1025 H CB -0.647 28.876 29.762 -0.398 0.000 1.349 1025 H HN 0.426 nan 8.280 nan 0.000 0.484 1026 L N 0.053 121.311 121.223 0.059 0.000 2.012 1026 L HA -0.230 4.113 4.340 0.005 0.000 0.210 1026 L C 3.098 179.935 176.870 -0.055 0.000 1.073 1026 L CA 1.601 56.447 54.840 0.010 0.000 0.748 1026 L CB -0.608 41.300 42.059 -0.252 0.000 0.891 1026 L HN 0.263 nan 8.230 nan 0.000 0.431 1027 I N -0.018 120.392 120.570 -0.266 0.000 2.076 1027 I HA -0.346 3.827 4.170 0.005 0.000 0.237 1027 I C 2.644 178.572 176.117 -0.315 0.000 1.059 1027 I CA 1.741 62.789 61.300 -0.419 0.000 1.317 1027 I CB -0.604 36.863 38.000 -0.889 0.000 1.037 1027 I HN 0.369 nan 8.210 nan 0.000 0.398 1028 E N 0.669 120.706 120.200 -0.271 0.000 2.149 1028 E HA -0.388 3.965 4.350 0.005 0.000 0.215 1028 E C 2.337 178.922 176.600 -0.025 0.000 1.055 1028 E CA 2.630 59.011 56.400 -0.030 0.000 0.870 1028 E CB -0.328 29.425 29.700 0.089 0.000 0.764 1028 E HN 0.586 nan 8.360 nan 0.000 0.463 1029 C N -0.203 119.092 119.300 -0.009 0.000 2.398 1029 C HA -0.177 4.286 4.460 0.005 0.000 0.276 1029 C C 2.749 177.689 174.990 -0.082 0.000 1.222 1029 C CA 1.234 60.244 59.018 -0.014 0.000 1.746 1029 C CB -1.152 26.673 27.740 0.142 0.000 2.039 1029 C HN 0.628 nan 8.230 nan 0.000 0.470 1030 L N 0.012 121.221 121.223 -0.023 0.000 2.093 1030 L HA -0.009 4.334 4.340 0.005 0.000 0.208 1030 L C 2.131 178.948 176.870 -0.089 0.000 1.085 1030 L CA 1.501 56.305 54.840 -0.060 0.000 0.755 1030 L CB -0.674 41.382 42.059 -0.005 0.000 0.904 1030 L HN 0.375 nan 8.230 nan 0.000 0.435 1031 L N -1.484 119.698 121.223 -0.069 0.000 2.044 1031 L HA -0.115 4.228 4.340 0.005 0.000 0.205 1031 L C 2.482 179.323 176.870 -0.049 0.000 1.075 1031 L CA 1.913 56.731 54.840 -0.036 0.000 0.747 1031 L CB -0.938 41.149 42.059 0.047 0.000 0.903 1031 L HN 0.215 nan 8.230 nan 0.000 0.435 1032 S N 0.037 115.714 115.700 -0.039 0.000 2.368 1032 S HA -0.334 4.139 4.470 0.005 0.000 0.226 1032 S C 1.935 176.482 174.600 -0.089 0.000 1.044 1032 S CA 1.980 60.153 58.200 -0.047 0.000 1.062 1032 S CB -0.517 62.665 63.200 -0.030 0.000 0.931 1032 S HN 0.493 nan 8.310 nan 0.000 0.440 1033 K N 0.856 121.175 120.400 -0.135 0.000 2.015 1033 K HA -0.176 4.147 4.320 0.005 0.000 0.216 1033 K C 1.889 178.382 176.600 -0.178 0.000 1.052 1033 K CA 1.942 58.118 56.287 -0.186 0.000 0.937 1033 K CB -0.425 31.924 32.500 -0.253 0.000 0.719 1033 K HN 0.211 nan 8.250 nan 0.000 0.446 1034 V N 0.810 120.614 119.914 -0.183 0.000 2.594 1034 V HA -0.216 3.907 4.120 0.005 0.000 0.253 1034 V C 2.327 178.326 176.094 -0.158 0.000 1.069 1034 V CA 1.847 64.004 62.300 -0.237 0.000 1.082 1034 V CB -0.613 31.073 31.823 -0.229 0.000 0.680 1034 V HN 0.527 nan 8.190 nan 0.000 0.469 1035 A N 0.064 122.829 122.820 -0.092 0.000 1.898 1035 A HA 0.078 4.401 4.320 0.005 0.000 0.214 1035 A C 2.410 179.975 177.584 -0.032 0.000 1.183 1035 A CA 1.496 53.503 52.037 -0.050 0.000 0.622 1035 A CB -0.630 18.348 19.000 -0.037 0.000 0.824 1035 A HN 0.527 nan 8.150 nan 0.000 0.444 1036 A N -0.476 122.319 122.820 -0.042 0.000 2.019 1036 A HA 0.041 4.364 4.320 0.005 0.000 0.219 1036 A C 2.116 179.705 177.584 0.008 0.000 1.164 1036 A CA 1.409 53.431 52.037 -0.024 0.000 0.644 1036 A CB -0.405 18.569 19.000 -0.042 0.000 0.805 1036 A HN 0.469 nan 8.150 nan 0.000 0.449 1037 L N -0.543 120.692 121.223 0.019 0.000 2.130 1037 L HA -0.055 4.288 4.340 0.005 0.000 0.200 1037 L C 2.840 179.850 176.870 0.233 0.000 1.075 1037 L CA 1.263 56.184 54.840 0.137 0.000 0.768 1037 L CB -0.445 41.737 42.059 0.205 0.000 0.933 1037 L HN 0.517 nan 8.230 nan 0.000 0.451 1038 S N 0.157 115.980 115.700 0.205 0.000 2.547 1038 S HA -0.003 4.470 4.470 0.005 0.000 0.235 1038 S C 1.366 176.025 174.600 0.098 0.000 0.980 1038 S CA 0.381 58.711 58.200 0.216 0.000 0.941 1038 S CB -0.598 62.676 63.200 0.123 0.000 0.763 1038 S HN 0.548 nan 8.310 nan 0.000 0.532 1039 G N 1.396 110.232 108.800 0.060 0.000 2.367 1039 G HA2 -0.200 3.763 3.960 0.005 0.000 0.295 1039 G HA3 -0.200 3.763 3.960 0.005 0.000 0.295 1039 G C -0.372 174.537 174.900 0.016 0.000 1.019 1039 G CA 0.160 45.278 45.100 0.029 0.000 1.224 1039 G HN 0.580 nan 8.290 nan 0.000 0.510 1040 N N -0.893 117.809 118.700 0.003 0.000 2.647 1040 N HA 0.496 5.239 4.740 0.005 0.000 0.266 1040 N C -0.554 174.942 175.510 -0.023 0.000 1.373 1040 N CA -0.963 52.084 53.050 -0.006 0.000 0.807 1040 N CB 1.164 39.651 38.487 0.000 0.000 1.513 1040 N HN 0.263 nan 8.380 nan 0.000 0.505 1041 E N -0.259 119.922 120.200 -0.032 0.000 2.324 1041 E HA 0.403 4.756 4.350 0.005 0.000 0.271 1041 E C 0.061 176.635 176.600 -0.044 0.000 1.028 1041 E CA -0.100 56.270 56.400 -0.050 0.000 0.890 1041 E CB 0.354 30.014 29.700 -0.068 0.000 1.004 1041 E HN 0.559 nan 8.360 nan 0.000 0.431 1042 G N 3.657 112.430 108.800 -0.044 0.000 2.358 1042 G HA2 0.103 4.066 3.960 0.005 0.000 0.273 1042 G HA3 0.103 4.066 3.960 0.005 0.000 0.273 1042 G C -0.586 174.285 174.900 -0.048 0.000 1.215 1042 G CA -0.483 44.603 45.100 -0.023 0.000 0.910 1042 G HN 0.529 nan 8.290 nan 0.000 0.467 1043 D N 1.795 122.172 120.400 -0.037 0.000 2.456 1043 D HA 0.452 5.095 4.640 0.005 0.000 0.219 1043 D C 0.911 177.102 176.300 -0.182 0.000 1.126 1043 D CA -0.264 53.675 54.000 -0.102 0.000 0.890 1043 D CB 0.929 41.681 40.800 -0.079 0.000 1.025 1043 D HN 0.300 nan 8.370 nan 0.000 0.511 1044 A N 2.592 125.218 122.820 -0.324 0.000 2.390 1044 A HA 0.202 4.525 4.320 0.005 0.000 0.232 1044 A C 0.838 177.916 177.584 -0.842 0.000 1.233 1044 A CA -0.355 51.209 52.037 -0.789 0.000 0.907 1044 A CB -0.009 18.785 19.000 -0.343 0.000 0.967 1044 A HN 0.421 nan 8.150 nan 0.000 0.512 1045 S N 2.283 117.697 115.700 -0.476 0.000 2.599 1045 S HA 0.060 4.533 4.470 0.005 0.000 0.303 1045 S C -1.483 172.925 174.600 -0.319 0.000 1.267 1045 S CA -0.223 57.790 58.200 -0.311 0.000 1.055 1045 S CB 0.368 63.456 63.200 -0.188 0.000 0.790 1045 S HN 0.268 nan 8.310 nan 0.000 0.500 1046 P HA -0.115 nan 4.420 nan 0.000 0.211 1046 P C -0.043 176.972 177.300 -0.476 0.000 1.181 1046 P CA 1.291 64.107 63.100 -0.473 0.000 0.929 1046 P CB 0.037 31.361 31.700 -0.628 0.000 0.789 1047 F N -0.239 119.819 119.950 0.181 0.000 2.303 1047 F HA 0.364 4.894 4.527 0.005 0.000 0.368 1047 F C 0.674 176.570 175.800 0.159 0.000 1.105 1047 F CA -0.357 57.734 58.000 0.152 0.000 1.153 1047 F CB -0.211 38.861 39.000 0.120 0.000 1.362 1047 F HN -0.129 nan 8.300 nan 0.000 0.511 1048 T N -2.126 112.573 114.554 0.242 0.000 2.812 1048 T HA 0.296 4.649 4.350 0.005 0.000 0.294 1048 T C -0.487 174.320 174.700 0.180 0.000 1.159 1048 T CA -0.952 61.268 62.100 0.201 0.000 1.008 1048 T CB 1.917 70.868 68.868 0.137 0.000 1.289 1048 T HN 0.103 nan 8.240 nan 0.000 0.514 1049 D N 0.586 121.076 120.400 0.151 0.000 2.881 1049 D HA 0.338 4.981 4.640 0.005 0.000 0.240 1049 D C -0.734 175.649 176.300 0.138 0.000 1.249 1049 D CA -0.117 53.964 54.000 0.134 0.000 0.839 1049 D CB -0.539 40.325 40.800 0.107 0.000 1.042 1049 D HN 0.273 nan 8.370 nan 0.000 0.475 1050 I N 0.887 121.565 120.570 0.179 0.000 2.307 1050 I HA 0.138 4.311 4.170 0.005 0.000 0.289 1050 I C 0.434 176.693 176.117 0.236 0.000 1.021 1050 I CA -0.260 61.162 61.300 0.204 0.000 1.224 1050 I CB 1.324 39.461 38.000 0.230 0.000 1.376 1050 I HN -0.194 nan 8.210 nan 0.000 0.470 1051 T N 4.201 118.843 114.554 0.147 0.000 2.918 1051 T HA 0.368 4.721 4.350 0.005 0.000 0.286 1051 T C 1.259 175.982 174.700 0.039 0.000 1.026 1051 T CA -0.715 61.450 62.100 0.108 0.000 1.031 1051 T CB 2.057 70.977 68.868 0.087 0.000 1.046 1051 T HN 0.153 nan 8.240 nan 0.000 0.479 1052 V N 1.050 120.963 119.914 -0.002 0.000 2.548 1052 V HA -0.084 4.039 4.120 0.005 0.000 0.249 1052 V C 2.385 178.474 176.094 -0.007 0.000 1.055 1052 V CA 1.493 63.765 62.300 -0.047 0.000 1.065 1052 V CB -0.542 31.235 31.823 -0.077 0.000 0.681 1052 V HN 0.790 nan 8.190 nan 0.000 0.462 1053 E N 0.535 120.746 120.200 0.018 0.000 2.208 1053 E HA -0.056 4.297 4.350 0.005 0.000 0.193 1053 E C 2.250 178.870 176.600 0.033 0.000 0.988 1053 E CA 1.146 57.563 56.400 0.028 0.000 0.828 1053 E CB -0.364 29.358 29.700 0.036 0.000 0.763 1053 E HN 0.606 nan 8.360 nan 0.000 0.478 1054 G N 1.554 110.378 108.800 0.039 0.000 2.404 1054 G HA2 -0.151 3.812 3.960 0.005 0.000 0.213 1054 G HA3 -0.151 3.812 3.960 0.005 0.000 0.213 1054 G C 1.572 176.490 174.900 0.030 0.000 1.189 1054 G CA 0.145 45.271 45.100 0.043 0.000 0.796 1054 G HN 0.099 nan 8.290 nan 0.000 0.532 1055 I N 1.888 122.470 120.570 0.020 0.000 2.127 1055 I HA -0.145 4.028 4.170 0.005 0.000 0.241 1055 I C 2.987 179.098 176.117 -0.010 0.000 1.075 1055 I CA 1.301 62.600 61.300 -0.001 0.000 1.334 1055 I CB -1.224 36.763 38.000 -0.022 0.000 1.040 1055 I HN 0.100 nan 8.210 nan 0.000 0.405 1056 S N 0.447 116.146 115.700 -0.001 0.000 2.370 1056 S HA -0.207 4.266 4.470 0.005 0.000 0.226 1056 S C 1.963 176.581 174.600 0.029 0.000 1.033 1056 S CA 1.245 59.452 58.200 0.012 0.000 1.011 1056 S CB -0.214 62.999 63.200 0.021 0.000 0.852 1056 S HN 0.392 nan 8.310 nan 0.000 0.457 1057 K N 0.933 121.353 120.400 0.033 0.000 2.034 1057 K HA -0.126 4.197 4.320 0.005 0.000 0.214 1057 K C 2.017 178.646 176.600 0.049 0.000 1.051 1057 K CA 1.410 57.723 56.287 0.044 0.000 0.931 1057 K CB -0.565 31.961 32.500 0.043 0.000 0.715 1057 K HN 0.298 nan 8.250 nan 0.000 0.446 1058 L N 0.792 122.033 121.223 0.030 0.000 2.021 1058 L HA -0.227 4.116 4.340 0.005 0.000 0.215 1058 L C 2.351 179.230 176.870 0.014 0.000 1.074 1058 L CA 1.269 56.121 54.840 0.021 0.000 0.760 1058 L CB -0.648 41.396 42.059 -0.025 0.000 0.889 1058 L HN 0.328 nan 8.230 nan 0.000 0.433 1059 L N -1.585 119.626 121.223 -0.020 0.000 2.612 1059 L HA 0.089 4.433 4.340 0.005 0.000 0.230 1059 L C 2.319 179.277 176.870 0.147 0.000 1.140 1059 L CA 0.349 55.200 54.840 0.018 0.000 0.896 1059 L CB -0.130 41.894 42.059 -0.059 0.000 1.065 1059 L HN 0.012 nan 8.230 nan 0.000 0.447 1060 R N 1.082 121.654 120.500 0.119 0.000 2.055 1060 R HA -0.058 4.285 4.340 0.005 0.000 0.226 1060 R C 1.837 178.219 176.300 0.138 0.000 1.135 1060 R CA 1.974 58.147 56.100 0.122 0.000 0.959 1060 R CB -0.478 29.873 30.300 0.085 0.000 0.854 1060 R HN 0.539 nan 8.270 nan 0.000 0.431 1061 E N -0.646 119.640 120.200 0.143 0.000 2.401 1061 E HA -0.178 4.175 4.350 0.005 0.000 0.199 1061 E C 1.606 178.304 176.600 0.162 0.000 1.023 1061 E CA 0.807 57.286 56.400 0.131 0.000 0.859 1061 E CB -0.124 29.650 29.700 0.123 0.000 0.780 1061 E HN 0.549 nan 8.360 nan 0.000 0.523 1062 H N -1.273 117.847 119.070 0.083 0.000 2.399 1062 H HA 0.057 4.616 4.556 0.005 0.000 0.300 1062 H C 1.636 177.034 175.328 0.117 0.000 1.048 1062 H CA 1.149 57.266 56.048 0.116 0.000 1.370 1062 H CB 0.868 30.726 29.762 0.160 0.000 1.428 1062 H HN 0.372 nan 8.280 nan 0.000 0.534 1063 G N -1.209 107.723 108.800 0.221 0.000 3.254 1063 G HA2 -0.129 3.834 3.960 0.005 0.000 0.219 1063 G HA3 -0.129 3.834 3.960 0.005 0.000 0.219 1063 G C -0.641 174.149 174.900 -0.182 0.000 0.964 1063 G CA -0.444 44.636 45.100 -0.033 0.000 0.823 1063 G HN 0.176 nan 8.290 nan 0.000 0.579 1064 Y N 0.780 121.121 120.300 0.068 0.000 2.654 1064 Y HA 0.664 5.217 4.550 0.005 0.000 0.328 1064 Y C 0.604 176.537 175.900 0.055 0.000 1.174 1064 Y CA -0.843 57.286 58.100 0.050 0.000 1.293 1064 Y CB 0.469 38.952 38.460 0.039 0.000 1.464 1064 Y HN 0.190 nan 8.280 nan 0.000 0.559 1065 Q N -0.515 119.431 119.800 0.243 0.000 2.274 1065 Q HA 0.317 4.660 4.340 0.005 0.000 0.256 1065 Q C 0.225 176.325 176.000 0.167 0.000 0.927 1065 Q CA -0.285 55.624 55.803 0.176 0.000 0.939 1065 Q CB 1.455 30.299 28.738 0.177 0.000 1.201 1065 Q HN 0.606 nan 8.270 nan 0.000 0.426 1066 S N 3.362 119.141 115.700 0.130 0.000 2.776 1066 S HA -0.096 4.377 4.470 0.005 0.000 0.242 1066 S C 0.146 174.796 174.600 0.084 0.000 0.977 1066 S CA 0.246 58.505 58.200 0.097 0.000 0.985 1066 S CB -0.362 62.885 63.200 0.078 0.000 0.782 1066 S HN 0.746 nan 8.310 nan 0.000 0.542 1067 R N -0.883 119.681 120.500 0.107 0.000 2.563 1067 R HA 0.364 4.707 4.340 0.005 0.000 0.443 1067 R C 1.282 177.612 176.300 0.051 0.000 0.956 1067 R CA 0.194 56.334 56.100 0.068 0.000 1.141 1067 R CB -0.497 29.847 30.300 0.073 0.000 1.553 1067 R HN 0.496 nan 8.270 nan 0.000 0.577 1068 G N 1.234 110.060 108.800 0.043 0.000 2.317 1068 G HA2 -0.304 3.659 3.960 0.005 0.000 0.227 1068 G HA3 -0.304 3.659 3.960 0.005 0.000 0.227 1068 G C 0.146 175.022 174.900 -0.039 0.000 1.042 1068 G CA -0.286 44.759 45.100 -0.092 0.000 0.623 1068 G HN 0.237 nan 8.290 nan 0.000 0.509 1069 F N 2.350 122.423 119.950 0.206 0.000 2.629 1069 F HA 0.413 4.943 4.527 0.005 0.000 0.377 1069 F C 1.058 176.904 175.800 0.077 0.000 1.101 1069 F CA 0.792 58.883 58.000 0.152 0.000 1.301 1069 F CB 0.394 39.466 39.000 0.120 0.000 1.062 1069 F HN 0.129 nan 8.300 nan 0.000 0.583 1070 E N 1.869 122.211 120.200 0.236 0.000 2.260 1070 E HA 0.275 4.628 4.350 0.005 0.000 0.266 1070 E C -1.262 175.308 176.600 -0.050 0.000 0.887 1070 E CA -0.868 55.564 56.400 0.054 0.000 0.777 1070 E CB 2.306 31.956 29.700 -0.082 0.000 1.205 1070 E HN 0.223 nan 8.360 nan 0.000 0.414 1071 V N 4.756 124.606 119.914 -0.106 0.000 2.458 1071 V HA -0.005 4.118 4.120 0.005 0.000 0.287 1071 V C 0.484 176.340 176.094 -0.397 0.000 1.009 1071 V CA 0.761 62.914 62.300 -0.244 0.000 1.091 1071 V CB -0.479 31.183 31.823 -0.269 0.000 0.960 1071 V HN 0.646 nan 8.190 nan 0.000 0.476 1072 M N 4.641 123.997 119.600 -0.406 0.000 2.706 1072 M HA 0.582 5.065 4.480 0.005 0.000 0.304 1072 M C -1.180 174.726 176.300 -0.658 0.000 1.217 1072 M CA -0.604 54.436 55.300 -0.434 0.000 0.922 1072 M CB 2.191 34.677 32.600 -0.190 0.000 1.637 1072 M HN 0.501 nan 8.290 nan 0.000 0.492 1073 Y N -0.107 119.907 120.300 -0.476 0.000 2.425 1073 Y HA 0.305 4.858 4.550 0.005 0.000 0.344 1073 Y C 0.053 175.960 175.900 0.013 0.000 0.969 1073 Y CA -1.244 56.650 58.100 -0.344 0.000 1.052 1073 Y CB 0.906 38.985 38.460 -0.635 0.000 1.215 1073 Y HN 0.661 nan 8.280 nan 0.000 0.451 1074 N N 0.581 119.474 118.700 0.323 0.000 2.344 1074 N HA 0.091 4.834 4.740 0.005 0.000 0.236 1074 N C 1.158 176.994 175.510 0.543 0.000 1.279 1074 N CA 1.044 54.366 53.050 0.453 0.000 0.882 1074 N CB 0.837 39.508 38.487 0.307 0.000 1.110 1074 N HN 0.901 nan 8.380 nan 0.000 0.436 1075 G N 0.249 109.362 108.800 0.523 0.000 2.459 1075 G HA2 -0.114 3.849 3.960 0.005 0.000 0.213 1075 G HA3 -0.114 3.849 3.960 0.005 0.000 0.213 1075 G C 0.943 175.845 174.900 0.003 0.000 1.155 1075 G CA 0.211 45.450 45.100 0.232 0.000 0.811 1075 G HN 0.759 nan 8.290 nan 0.000 0.534 1076 H N -0.004 119.144 119.070 0.130 0.000 2.436 1076 H HA 0.040 4.599 4.556 0.005 0.000 0.294 1076 H C 2.194 177.557 175.328 0.058 0.000 1.048 1076 H CA 1.512 57.591 56.048 0.052 0.000 1.353 1076 H CB 0.221 29.992 29.762 0.015 0.000 1.414 1076 H HN 0.264 nan 8.280 nan 0.000 0.536 1077 T N -1.596 113.102 114.554 0.239 0.000 3.087 1077 T HA 0.224 4.577 4.350 0.005 0.000 0.237 1077 T C 1.632 176.435 174.700 0.171 0.000 0.990 1077 T CA 0.942 63.143 62.100 0.167 0.000 1.160 1077 T CB 0.307 69.260 68.868 0.142 0.000 0.923 1077 T HN 0.581 nan 8.240 nan 0.000 0.442 1078 G N 1.915 110.868 108.800 0.256 0.000 2.175 1078 G HA2 -0.234 3.729 3.960 0.005 0.000 0.244 1078 G HA3 -0.234 3.729 3.960 0.005 0.000 0.244 1078 G C 0.142 175.199 174.900 0.260 0.000 0.982 1078 G CA 0.319 45.599 45.100 0.300 0.000 0.641 1078 G HN 0.567 nan 8.290 nan 0.000 0.527 1079 K N 1.137 121.663 120.400 0.211 0.000 2.401 1079 K HA 0.360 4.683 4.320 0.005 0.000 0.278 1079 K C 0.930 177.652 176.600 0.204 0.000 1.018 1079 K CA -0.284 56.108 56.287 0.175 0.000 0.981 1079 K CB 0.296 32.861 32.500 0.108 0.000 0.933 1079 K HN 0.234 nan 8.250 nan 0.000 0.477 1080 K N 2.860 123.360 120.400 0.167 0.000 2.440 1080 K HA 0.015 4.338 4.320 0.005 0.000 0.270 1080 K C -0.168 176.381 176.600 -0.085 0.000 0.980 1080 K CA -0.014 56.252 56.287 -0.035 0.000 0.953 1080 K CB 0.411 32.863 32.500 -0.079 0.000 0.925 1080 K HN 0.505 nan 8.250 nan 0.000 0.497 1081 L N 4.924 126.026 121.223 -0.201 0.000 2.278 1081 L HA 0.037 4.381 4.340 0.005 0.000 0.287 1081 L C 1.502 178.307 176.870 -0.107 0.000 1.072 1081 L CA -0.276 54.501 54.840 -0.106 0.000 0.819 1081 L CB 0.967 42.981 42.059 -0.076 0.000 1.176 1081 L HN 0.786 nan 8.230 nan 0.000 0.435 1082 M N 2.554 122.116 119.600 -0.062 0.000 2.507 1082 M HA -0.160 4.323 4.480 0.005 0.000 0.258 1082 M C 0.527 176.783 176.300 -0.073 0.000 1.081 1082 M CA 0.965 56.231 55.300 -0.058 0.000 1.039 1082 M CB -0.818 31.761 32.600 -0.035 0.000 1.386 1082 M HN 0.665 nan 8.290 nan 0.000 0.459 1083 A N -0.259 122.514 122.820 -0.078 0.000 2.491 1083 A HA 0.541 4.864 4.320 0.005 0.000 0.293 1083 A C -0.432 177.096 177.584 -0.094 0.000 1.047 1083 A CA -0.922 51.055 52.037 -0.099 0.000 0.735 1083 A CB 0.867 19.821 19.000 -0.077 0.000 1.281 1083 A HN 0.245 nan 8.150 nan 0.000 0.398 1084 Q N 0.270 119.978 119.800 -0.152 0.000 2.584 1084 Q HA 0.580 4.923 4.340 0.005 0.000 0.235 1084 Q C -0.347 175.708 176.000 0.092 0.000 1.079 1084 Q CA 0.752 56.503 55.803 -0.088 0.000 0.977 1084 Q CB 0.433 29.075 28.738 -0.160 0.000 1.293 1084 Q HN 0.656 nan 8.270 nan 0.000 0.553 1085 I N -0.037 120.720 120.570 0.311 0.000 2.730 1085 I HA 0.313 4.486 4.170 0.005 0.000 0.298 1085 I C -1.117 175.340 176.117 0.567 0.000 1.089 1085 I CA -0.996 60.546 61.300 0.403 0.000 1.041 1085 I CB 1.498 39.639 38.000 0.234 0.000 1.235 1085 I HN 0.436 nan 8.210 nan 0.000 0.423 1086 F N 5.436 125.540 119.950 0.256 0.000 2.410 1086 F HA 0.494 5.024 4.527 0.005 0.000 0.348 1086 F C -0.959 174.945 175.800 0.174 0.000 1.106 1086 F CA -0.208 57.807 58.000 0.026 0.000 1.163 1086 F CB 0.536 39.467 39.000 -0.115 0.000 1.129 1086 F HN 0.141 nan 8.300 nan 0.000 0.516 1087 F N 2.961 122.563 119.950 -0.580 0.000 2.588 1087 F HA 0.778 5.308 4.527 0.005 0.000 0.310 1087 F C -0.147 175.314 175.800 -0.565 0.000 1.082 1087 F CA -0.481 57.277 58.000 -0.404 0.000 0.929 1087 F CB 2.258 41.129 39.000 -0.215 0.000 1.254 1087 F HN 0.654 nan 8.300 nan 0.000 0.455 1088 G N 3.335 111.776 108.800 -0.598 0.000 2.361 1088 G HA2 0.379 4.342 3.960 0.005 0.000 0.299 1088 G HA3 0.379 4.342 3.960 0.005 0.000 0.299 1088 G C -3.442 171.264 174.900 -0.322 0.000 1.544 1088 G CA -1.018 43.836 45.100 -0.409 0.000 0.860 1088 G HN 0.315 nan 8.290 nan 0.000 0.610 1089 P HA 0.404 nan 4.420 nan 0.000 0.269 1089 P C -0.447 176.819 177.300 -0.056 0.000 1.209 1089 P CA 0.320 63.351 63.100 -0.115 0.000 0.776 1089 P CB 1.046 32.703 31.700 -0.072 0.000 0.876 1090 T N 1.825 116.404 114.554 0.041 0.000 4.111 1090 T HA 0.072 4.425 4.350 0.005 0.000 0.346 1090 T C -1.067 173.811 174.700 0.297 0.000 0.893 1090 T CA -0.354 61.825 62.100 0.132 0.000 1.011 1090 T CB -0.267 68.692 68.868 0.152 0.000 1.094 1090 T HN 0.177 nan 8.240 nan 0.000 0.467 1091 Y N 3.561 123.926 120.300 0.109 0.000 2.729 1091 Y HA 0.328 4.882 4.550 0.005 0.000 0.331 1091 Y C -0.760 175.247 175.900 0.180 0.000 1.208 1091 Y CA 0.206 58.395 58.100 0.148 0.000 1.521 1091 Y CB 0.096 38.613 38.460 0.094 0.000 1.233 1091 Y HN 0.587 nan 8.280 nan 0.000 0.539 1092 Y N 3.612 123.836 120.300 -0.127 0.000 2.499 1092 Y HA 0.443 4.996 4.550 0.005 0.000 0.347 1092 Y C -0.582 175.228 175.900 -0.150 0.000 0.987 1092 Y CA -0.970 57.113 58.100 -0.029 0.000 1.044 1092 Y CB 1.871 40.431 38.460 0.167 0.000 1.245 1092 Y HN 0.449 nan 8.280 nan 0.000 0.461 1093 Q N 2.803 122.571 119.800 -0.054 0.000 2.340 1093 Q HA 0.418 4.761 4.340 0.005 0.000 0.268 1093 Q C -1.005 174.861 176.000 -0.223 0.000 1.031 1093 Q CA -1.065 54.643 55.803 -0.158 0.000 0.804 1093 Q CB 2.782 31.457 28.738 -0.106 0.000 1.286 1093 Q HN 0.492 nan 8.270 nan 0.000 0.448 1094 R N 4.051 124.295 120.500 -0.427 0.000 2.205 1094 R HA 0.325 4.668 4.340 0.005 0.000 0.342 1094 R C -0.702 175.385 176.300 -0.355 0.000 1.058 1094 R CA -0.115 55.647 56.100 -0.562 0.000 0.904 1094 R CB 0.105 29.977 30.300 -0.713 0.000 1.089 1094 R HN 0.555 nan 8.270 nan 0.000 0.471 1095 L N 2.205 123.223 121.223 -0.343 0.000 2.488 1095 L HA 0.481 4.824 4.340 0.005 0.000 0.249 1095 L C 1.521 178.270 176.870 -0.201 0.000 1.151 1095 L CA -1.088 53.647 54.840 -0.175 0.000 0.806 1095 L CB 0.137 42.131 42.059 -0.109 0.000 1.261 1095 L HN 0.556 nan 8.230 nan 0.000 0.484 1096 R N -0.954 119.435 120.500 -0.186 0.000 2.915 1096 R HA 0.029 4.372 4.340 0.005 0.000 0.148 1096 R C -0.371 175.787 176.300 -0.237 0.000 0.743 1096 R CA -0.173 55.758 56.100 -0.282 0.000 1.502 1096 R CB -0.082 29.855 30.300 -0.606 0.000 0.627 1096 R HN 0.733 nan 8.270 nan 0.000 0.563 1097 H N -0.485 118.471 119.070 -0.189 0.000 2.673 1097 H HA -0.169 4.390 4.556 0.005 0.000 0.318 1097 H C -0.799 174.431 175.328 -0.163 0.000 0.998 1097 H CA 1.027 56.978 56.048 -0.161 0.000 1.045 1097 H CB -1.623 28.054 29.762 -0.140 0.000 1.623 1097 H HN 0.350 nan 8.280 nan 0.000 0.359 1098 M N 1.210 120.754 119.600 -0.093 0.000 2.404 1098 M HA 0.187 4.670 4.480 0.005 0.000 0.338 1098 M C 2.139 178.407 176.300 -0.054 0.000 1.150 1098 M CA -0.748 54.497 55.300 -0.093 0.000 1.016 1098 M CB 2.054 34.573 32.600 -0.136 0.000 1.672 1098 M HN 0.121 nan 8.290 nan 0.000 0.448 1099 V N -0.804 119.096 119.914 -0.022 0.000 2.277 1099 V HA -0.295 3.828 4.120 0.005 0.000 0.253 1099 V C 1.365 177.452 176.094 -0.013 0.000 1.067 1099 V CA 2.150 64.448 62.300 -0.004 0.000 1.047 1099 V CB -0.829 31.002 31.823 0.013 0.000 0.649 1099 V HN 0.863 nan 8.190 nan 0.000 0.447 1100 D N 0.386 120.770 120.400 -0.026 0.000 2.178 1100 D HA -0.104 4.539 4.640 0.005 0.000 0.202 1100 D C 1.535 177.814 176.300 -0.035 0.000 0.974 1100 D CA 1.463 55.449 54.000 -0.023 0.000 0.841 1100 D CB -0.289 40.498 40.800 -0.022 0.000 0.953 1100 D HN 0.558 nan 8.370 nan 0.000 0.478 1101 D N 0.233 120.591 120.400 -0.071 0.000 2.338 1101 D HA -0.029 4.614 4.640 0.005 0.000 0.239 1101 D C 1.600 177.873 176.300 -0.045 0.000 1.095 1101 D CA 0.408 54.361 54.000 -0.078 0.000 0.888 1101 D CB 0.352 41.063 40.800 -0.147 0.000 0.899 1101 D HN 0.182 nan 8.370 nan 0.000 0.525 1102 K N -0.077 120.313 120.400 -0.016 0.000 2.362 1102 K HA 0.137 4.460 4.320 0.005 0.000 0.203 1102 K C 0.805 177.433 176.600 0.047 0.000 1.198 1102 K CA -0.187 56.106 56.287 0.010 0.000 0.908 1102 K CB 0.750 33.259 32.500 0.015 0.000 1.236 1102 K HN 0.038 nan 8.250 nan 0.000 0.487 1103 I N 3.977 124.573 120.570 0.043 0.000 2.943 1103 I HA -0.135 4.038 4.170 0.005 0.000 0.296 1103 I C 0.065 176.255 176.117 0.122 0.000 1.220 1103 I CA 0.874 62.212 61.300 0.062 0.000 1.409 1103 I CB -1.412 36.611 38.000 0.038 0.000 1.374 1103 I HN 0.198 nan 8.210 nan 0.000 0.545 1104 H N 5.464 124.533 119.070 -0.002 0.000 2.877 1104 H HA 0.759 5.318 4.556 0.004 0.000 0.347 1104 H C -1.353 173.974 175.328 -0.001 0.000 1.042 1104 H CA -0.604 55.443 56.048 -0.003 0.000 1.276 1104 H CB 1.591 31.351 29.762 -0.003 0.000 1.681 1104 H HN 0.740 nan 8.280 nan 0.000 0.521 1105 A N 4.559 127.198 122.820 -0.303 0.000 2.423 1105 A HA 0.845 5.168 4.320 0.005 0.000 0.304 1105 A C -1.005 176.344 177.584 -0.392 0.000 1.104 1105 A CA -0.894 50.938 52.037 -0.341 0.000 0.757 1105 A CB 1.459 20.381 19.000 -0.130 0.000 1.313 1105 A HN 0.805 nan 8.150 nan 0.000 0.423 1106 R N 0.348 120.679 120.500 -0.282 0.000 2.508 1106 R HA 0.604 4.947 4.340 0.005 0.000 0.283 1106 R C -1.465 174.782 176.300 -0.089 0.000 1.120 1106 R CA 0.082 56.099 56.100 -0.138 0.000 0.958 1106 R CB 1.528 31.770 30.300 -0.097 0.000 1.215 1106 R HN 1.250 nan 8.270 nan 0.000 0.427 1107 A N 5.055 127.842 122.820 -0.055 0.000 2.664 1107 A HA 0.580 4.903 4.320 0.005 0.000 0.338 1107 A C -0.244 177.319 177.584 -0.033 0.000 1.280 1107 A CA -0.401 51.609 52.037 -0.046 0.000 0.809 1107 A CB 0.266 19.243 19.000 -0.038 0.000 1.114 1107 A HN 1.039 nan 8.150 nan 0.000 0.479 1108 R N 0.019 120.497 120.500 -0.035 0.000 3.787 1108 R HA 0.048 4.391 4.340 0.005 0.000 0.522 1108 R C 0.207 176.496 176.300 -0.018 0.000 0.298 1108 R CA 1.102 57.185 56.100 -0.027 0.000 1.623 1108 R CB -0.808 29.478 30.300 -0.023 0.000 1.117 1108 R HN 2.397 nan 8.270 nan 0.000 0.540 1109 G N 0.730 109.521 108.800 -0.015 0.000 2.368 1109 G HA2 0.254 4.217 3.960 0.005 0.000 0.269 1109 G HA3 0.254 4.217 3.960 0.005 0.000 0.269 1109 G C -3.008 171.884 174.900 -0.013 0.000 1.291 1109 G CA -0.448 44.646 45.100 -0.010 0.000 0.903 1109 G HN 0.581 nan 8.290 nan 0.000 0.483 1110 P HA 0.337 nan 4.420 nan 0.000 0.271 1110 P C -0.182 177.105 177.300 -0.021 0.000 1.226 1110 P CA 0.205 63.296 63.100 -0.015 0.000 0.765 1110 P CB 0.603 32.295 31.700 -0.013 0.000 0.835 1111 M N 2.047 121.626 119.600 -0.035 0.000 2.371 1111 M HA 0.247 4.730 4.480 0.005 0.000 0.301 1111 M C 1.061 177.329 176.300 -0.053 0.000 1.173 1111 M CA -0.611 54.658 55.300 -0.052 0.000 1.020 1111 M CB 0.941 33.490 32.600 -0.084 0.000 1.490 1111 M HN 0.422 nan 8.290 nan 0.000 0.485 1112 Q N 0.031 119.795 119.800 -0.060 0.000 2.222 1112 Q HA 0.445 4.788 4.340 0.005 0.000 0.211 1112 Q C 0.368 176.315 176.000 -0.088 0.000 1.013 1112 Q CA -0.882 54.887 55.803 -0.056 0.000 0.993 1112 Q CB 0.585 29.301 28.738 -0.037 0.000 1.151 1112 Q HN 0.462 nan 8.270 nan 0.000 0.544 1113 V N -0.395 119.478 119.914 -0.067 0.000 2.379 1113 V HA -0.161 3.962 4.120 0.005 0.000 0.243 1113 V C 2.203 178.239 176.094 -0.096 0.000 1.035 1113 V CA 0.838 63.091 62.300 -0.080 0.000 1.035 1113 V CB -1.000 30.800 31.823 -0.038 0.000 0.673 1113 V HN 0.782 nan 8.190 nan 0.000 0.457 1114 L N 1.328 122.524 121.223 -0.044 0.000 2.042 1114 L HA -0.140 4.203 4.340 0.005 0.000 0.210 1114 L C 1.788 178.685 176.870 0.044 0.000 1.076 1114 L CA 2.851 57.697 54.840 0.011 0.000 0.749 1114 L CB -0.625 41.449 42.059 0.023 0.000 0.893 1114 L HN 0.668 nan 8.230 nan 0.000 0.432 1115 T N -2.212 112.312 114.554 -0.049 0.000 3.275 1115 T HA 0.160 4.513 4.350 0.005 0.000 0.298 1115 T C 0.499 175.017 174.700 -0.304 0.000 0.988 1115 T CA -0.496 61.597 62.100 -0.011 0.000 0.936 1115 T CB -0.013 68.910 68.868 0.090 0.000 1.159 1115 T HN 0.427 nan 8.240 nan 0.000 0.519 1116 R N 1.891 122.111 120.500 -0.467 0.000 2.629 1116 R HA -0.236 4.107 4.340 0.005 0.000 0.225 1116 R C -0.903 175.282 176.300 -0.191 0.000 0.777 1116 R CA 0.687 56.568 56.100 -0.365 0.000 0.528 1116 R CB -2.009 27.984 30.300 -0.512 0.000 1.182 1116 R HN 0.565 nan 8.270 nan 0.000 0.520 1117 Q N 1.020 120.756 119.800 -0.108 0.000 2.297 1117 Q HA 0.538 4.881 4.340 0.005 0.000 0.268 1117 Q C -2.274 173.699 176.000 -0.044 0.000 1.045 1117 Q CA -2.432 53.340 55.803 -0.051 0.000 0.861 1117 Q CB 2.348 31.076 28.738 -0.017 0.000 1.344 1117 Q HN 0.244 nan 8.270 nan 0.000 0.452 1118 P HA 0.033 nan 4.420 nan 0.000 0.274 1118 P C -0.705 176.594 177.300 -0.002 0.000 1.231 1118 P CA -0.144 62.947 63.100 -0.014 0.000 0.790 1118 P CB 0.845 32.544 31.700 -0.003 0.000 0.951 1119 V N 1.664 121.579 119.914 0.001 0.000 2.617 1119 V HA 0.191 4.314 4.120 0.005 0.000 0.298 1119 V C 0.630 176.728 176.094 0.006 0.000 1.048 1119 V CA -0.709 61.591 62.300 -0.001 0.000 0.964 1119 V CB 0.871 32.688 31.823 -0.011 0.000 1.004 1119 V HN 0.560 nan 8.190 nan 0.000 0.466 1120 E N 2.840 123.040 120.200 0.000 0.000 2.428 1120 E HA 0.415 4.768 4.350 0.005 0.000 0.257 1120 E C 0.416 177.003 176.600 -0.023 0.000 1.197 1120 E CA 0.983 57.383 56.400 -0.001 0.000 0.974 1120 E CB 0.693 30.391 29.700 -0.004 0.000 0.976 1120 E HN 1.374 nan 8.360 nan 0.000 0.463 1121 G N 0.933 109.712 108.800 -0.035 0.000 2.829 1121 G HA2 -0.286 3.677 3.960 0.005 0.000 0.628 1121 G HA3 -0.286 3.677 3.960 0.005 0.000 0.628 1121 G C 0.161 174.942 174.900 -0.198 0.000 1.412 1121 G CA 0.284 45.333 45.100 -0.086 0.000 0.864 1121 G HN 0.704 nan 8.290 nan 0.000 0.544 1122 R N -1.595 118.720 120.500 -0.308 0.000 2.437 1122 R HA 0.411 4.754 4.340 0.005 0.000 0.257 1122 R C 2.035 178.134 176.300 -0.336 0.000 0.927 1122 R CA 1.119 56.827 56.100 -0.653 0.000 1.078 1122 R CB -0.030 29.860 30.300 -0.683 0.000 1.161 1122 R HN 0.406 nan 8.270 nan 0.000 0.529 1123 S N 1.159 116.746 115.700 -0.188 0.000 2.447 1123 S HA -0.003 4.470 4.470 0.005 0.000 0.233 1123 S C 1.256 175.807 174.600 -0.082 0.000 1.006 1123 S CA 0.859 58.995 58.200 -0.106 0.000 0.957 1123 S CB -0.019 63.137 63.200 -0.074 0.000 0.773 1123 S HN 0.314 nan 8.310 nan 0.000 0.507 1124 R N 0.765 121.209 120.500 -0.093 0.000 2.509 1124 R HA 0.227 4.570 4.340 0.005 0.000 0.300 1124 R C -0.296 175.980 176.300 -0.040 0.000 0.985 1124 R CA 0.218 56.286 56.100 -0.053 0.000 1.092 1124 R CB 0.002 30.279 30.300 -0.039 0.000 1.237 1124 R HN 0.152 nan 8.270 nan 0.000 0.546 1125 D N -0.503 119.864 120.400 -0.054 0.000 2.837 1125 D HA -0.148 4.495 4.640 0.005 0.000 0.230 1125 D C 0.604 176.965 176.300 0.101 0.000 1.152 1125 D CA 1.036 55.061 54.000 0.042 0.000 0.736 1125 D CB -0.976 39.843 40.800 0.031 0.000 1.084 1125 D HN 0.374 nan 8.370 nan 0.000 0.429 1126 G N -0.861 107.959 108.800 0.032 0.000 2.335 1126 G HA2 0.474 4.437 3.960 0.005 0.000 0.285 1126 G HA3 0.474 4.437 3.960 0.005 0.000 0.285 1126 G C 0.651 175.669 174.900 0.195 0.000 1.448 1126 G CA 0.187 45.333 45.100 0.077 0.000 1.070 1126 G HN 0.731 nan 8.290 nan 0.000 0.564 1127 G N -2.325 106.567 108.800 0.153 0.000 2.694 1127 G HA2 0.544 4.507 3.960 0.005 0.000 0.290 1127 G HA3 0.544 4.507 3.960 0.005 0.000 0.290 1127 G C -1.477 173.493 174.900 0.117 0.000 1.386 1127 G CA -0.898 44.271 45.100 0.116 0.000 0.872 1127 G HN 0.540 nan 8.290 nan 0.000 0.475 1128 L N 0.879 122.148 121.223 0.076 0.000 2.295 1128 L HA 0.506 4.849 4.340 0.005 0.000 0.285 1128 L C 0.911 177.838 176.870 0.096 0.000 1.035 1128 L CA -0.833 54.060 54.840 0.088 0.000 0.806 1128 L CB 1.669 43.774 42.059 0.076 0.000 1.214 1128 L HN 0.427 nan 8.230 nan 0.000 0.426 1129 R N 2.518 123.075 120.500 0.096 0.000 2.351 1129 R HA 0.016 4.359 4.340 0.005 0.000 0.318 1129 R C -0.342 176.055 176.300 0.161 0.000 1.055 1129 R CA -0.128 56.036 56.100 0.106 0.000 0.968 1129 R CB 0.263 30.601 30.300 0.063 0.000 0.974 1129 R HN 0.478 nan 8.270 nan 0.000 0.439 1130 F N 5.153 125.107 119.950 0.007 0.000 2.980 1130 F HA 0.303 4.834 4.527 0.005 0.000 0.299 1130 F C 0.812 176.621 175.800 0.015 0.000 1.211 1130 F CA -0.544 57.464 58.000 0.012 0.000 1.328 1130 F CB -0.167 38.832 39.000 -0.001 0.000 1.154 1130 F HN 0.710 nan 8.300 nan 0.000 0.528 1131 G N 1.395 110.171 108.800 -0.041 0.000 2.905 1131 G HA2 -0.178 3.785 3.960 0.005 0.000 0.233 1131 G HA3 -0.178 3.785 3.960 0.005 0.000 0.233 1131 G C 0.924 175.731 174.900 -0.155 0.000 1.243 1131 G CA 0.131 45.187 45.100 -0.073 0.000 0.856 1131 G HN 0.666 nan 8.290 nan 0.000 0.594 1132 E N 0.357 120.505 120.200 -0.088 0.000 2.068 1132 E HA -0.355 3.998 4.350 0.005 0.000 0.207 1132 E C 2.350 178.874 176.600 -0.126 0.000 1.032 1132 E CA 1.627 57.976 56.400 -0.085 0.000 0.839 1132 E CB -0.239 29.434 29.700 -0.045 0.000 0.758 1132 E HN 0.539 nan 8.360 nan 0.000 0.457 1133 M N 0.417 119.951 119.600 -0.110 0.000 2.195 1133 M HA -0.249 4.234 4.480 0.005 0.000 0.260 1133 M C 1.628 177.846 176.300 -0.136 0.000 1.066 1133 M CA 1.749 56.991 55.300 -0.097 0.000 1.089 1133 M CB 0.008 32.565 32.600 -0.072 0.000 1.377 1133 M HN 0.039 nan 8.290 nan 0.000 0.411 1134 E N -0.633 119.420 120.200 -0.246 0.000 2.112 1134 E HA -0.140 4.213 4.350 0.005 0.000 0.190 1134 E C 1.930 178.311 176.600 -0.364 0.000 0.979 1134 E CA 0.817 57.013 56.400 -0.340 0.000 0.814 1134 E CB -0.340 29.005 29.700 -0.591 0.000 0.762 1134 E HN 0.395 nan 8.360 nan 0.000 0.460 1135 R N 1.154 121.395 120.500 -0.431 0.000 2.105 1135 R HA -0.213 4.130 4.340 0.005 0.000 0.239 1135 R C 1.024 177.304 176.300 -0.032 0.000 1.135 1135 R CA 1.774 57.763 56.100 -0.186 0.000 0.967 1135 R CB -0.258 29.981 30.300 -0.102 0.000 0.861 1135 R HN 0.159 nan 8.270 nan 0.000 0.442 1136 D N 0.430 120.798 120.400 -0.052 0.000 2.126 1136 D HA -0.193 4.450 4.640 0.005 0.000 0.190 1136 D C 1.911 178.224 176.300 0.021 0.000 1.001 1136 D CA 1.715 55.708 54.000 -0.012 0.000 0.841 1136 D CB -0.547 40.237 40.800 -0.027 0.000 0.949 1136 D HN 0.379 nan 8.370 nan 0.000 0.446 1137 C N 0.014 119.327 119.300 0.022 0.000 2.456 1137 C HA 0.038 4.501 4.460 0.005 0.000 0.279 1137 C C 2.508 177.643 174.990 0.241 0.000 1.427 1137 C CA -0.005 59.072 59.018 0.098 0.000 1.778 1137 C CB -0.750 27.039 27.740 0.081 0.000 1.842 1137 C HN 0.243 nan 8.230 nan 0.000 0.531 1138 M N 0.538 120.247 119.600 0.182 0.000 2.334 1138 M HA 0.170 4.653 4.480 0.005 0.000 0.266 1138 M C 1.823 178.252 176.300 0.214 0.000 1.082 1138 M CA 1.285 56.739 55.300 0.256 0.000 1.141 1138 M CB -0.523 32.311 32.600 0.390 0.000 1.380 1138 M HN 0.290 nan 8.290 nan 0.000 0.440 1139 I N -0.762 119.894 120.570 0.143 0.000 2.252 1139 I HA -0.214 3.959 4.170 0.005 0.000 0.245 1139 I C 2.430 178.596 176.117 0.082 0.000 1.102 1139 I CA 1.104 62.467 61.300 0.104 0.000 1.385 1139 I CB -0.910 37.130 38.000 0.067 0.000 1.064 1139 I HN 0.215 nan 8.210 nan 0.000 0.414 1140 A N 0.669 123.524 122.820 0.058 0.000 1.892 1140 A HA -0.302 4.021 4.320 0.005 0.000 0.218 1140 A C 2.078 179.629 177.584 -0.056 0.000 1.188 1140 A CA 2.172 54.197 52.037 -0.020 0.000 0.631 1140 A CB -1.298 17.655 19.000 -0.080 0.000 0.822 1140 A HN 0.498 nan 8.150 nan 0.000 0.447 1141 H N -1.086 117.988 119.070 0.007 0.000 2.545 1141 H HA 0.257 4.816 4.556 0.005 0.000 0.282 1141 H C 1.579 176.910 175.328 0.004 0.000 1.020 1141 H CA 0.829 56.874 56.048 -0.005 0.000 1.243 1141 H CB -0.218 29.530 29.762 -0.024 0.000 1.377 1141 H HN 0.710 nan 8.280 nan 0.000 0.581 1142 G N 0.200 109.074 108.800 0.123 0.000 2.273 1142 G HA2 -0.276 3.687 3.960 0.005 0.000 0.280 1142 G HA3 -0.276 3.687 3.960 0.005 0.000 0.280 1142 G C 0.204 175.166 174.900 0.104 0.000 1.047 1142 G CA 0.237 45.392 45.100 0.091 0.000 0.869 1142 G HN 0.670 nan 8.290 nan 0.000 0.502 1143 A N -0.381 122.521 122.820 0.137 0.000 2.666 1143 A HA 0.832 5.155 4.320 0.005 0.000 0.312 1143 A C 1.407 179.093 177.584 0.170 0.000 1.471 1143 A CA 0.946 53.062 52.037 0.132 0.000 1.134 1143 A CB 0.251 19.303 19.000 0.087 0.000 1.129 1143 A HN 1.693 nan 8.150 nan 0.000 0.539 1144 A N 2.048 124.942 122.820 0.124 0.000 1.835 1144 A HA 0.021 4.344 4.320 0.005 0.000 0.213 1144 A C 2.434 180.080 177.584 0.104 0.000 1.210 1144 A CA 1.775 53.875 52.037 0.105 0.000 0.605 1144 A CB -0.973 18.069 19.000 0.072 0.000 0.860 1144 A HN 0.782 nan 8.150 nan 0.000 0.447 1145 S N -1.227 114.530 115.700 0.096 0.000 2.353 1145 S HA -0.199 4.274 4.470 0.005 0.000 0.222 1145 S C 1.810 176.457 174.600 0.077 0.000 1.035 1145 S CA 1.877 60.120 58.200 0.071 0.000 1.025 1145 S CB -0.568 62.670 63.200 0.063 0.000 0.902 1145 S HN 0.558 nan 8.310 nan 0.000 0.440 1146 F N 1.647 121.590 119.950 -0.012 0.000 2.161 1146 F HA -0.034 4.496 4.527 0.005 0.000 0.300 1146 F C 1.897 177.674 175.800 -0.038 0.000 1.089 1146 F CA 1.533 59.513 58.000 -0.034 0.000 1.282 1146 F CB -0.282 38.699 39.000 -0.031 0.000 1.010 1146 F HN 0.282 nan 8.300 nan 0.000 0.485 1147 L N 0.404 121.703 121.223 0.127 0.000 2.156 1147 L HA -0.153 4.190 4.340 0.005 0.000 0.208 1147 L C 2.528 179.369 176.870 -0.050 0.000 1.095 1147 L CA 1.365 56.247 54.840 0.071 0.000 0.770 1147 L CB -0.599 41.589 42.059 0.215 0.000 0.914 1147 L HN 0.110 nan 8.230 nan 0.000 0.439 1148 K N -0.110 120.266 120.400 -0.039 0.000 2.097 1148 K HA -0.255 4.068 4.320 0.005 0.000 0.205 1148 K C 1.960 178.478 176.600 -0.138 0.000 1.050 1148 K CA 1.676 57.929 56.287 -0.057 0.000 0.938 1148 K CB 0.059 32.545 32.500 -0.022 0.000 0.718 1148 K HN 0.385 nan 8.250 nan 0.000 0.442 1149 E N 0.119 120.183 120.200 -0.226 0.000 2.077 1149 E HA -0.159 4.194 4.350 0.005 0.000 0.193 1149 E C 2.043 178.431 176.600 -0.353 0.000 0.989 1149 E CA 0.995 57.227 56.400 -0.280 0.000 0.800 1149 E CB 0.211 29.716 29.700 -0.325 0.000 0.746 1149 E HN 0.095 nan 8.360 nan 0.000 0.452 1150 R N -0.242 119.939 120.500 -0.531 0.000 2.096 1150 R HA -0.078 4.265 4.340 0.005 0.000 0.235 1150 R C 1.534 177.682 176.300 -0.253 0.000 1.127 1150 R CA 0.784 56.563 56.100 -0.535 0.000 0.968 1150 R CB -0.404 29.329 30.300 -0.944 0.000 0.861 1150 R HN 0.202 nan 8.270 nan 0.000 0.440 1151 L N -0.307 120.825 121.223 -0.152 0.000 2.685 1151 L HA 0.194 4.537 4.340 0.005 0.000 0.233 1151 L C 1.269 178.121 176.870 -0.030 0.000 1.173 1151 L CA 0.480 55.293 54.840 -0.044 0.000 0.961 1151 L CB 0.224 42.292 42.059 0.015 0.000 1.217 1151 L HN 0.044 nan 8.230 nan 0.000 0.478 1152 M N -2.385 117.177 119.600 -0.063 0.000 2.144 1152 M HA 0.137 4.620 4.480 0.005 0.000 0.178 1152 M C 1.509 177.779 176.300 -0.049 0.000 1.932 1152 M CA 0.376 55.655 55.300 -0.035 0.000 1.017 1152 M CB -0.055 32.521 32.600 -0.041 0.000 1.497 1152 M HN -0.110 nan 8.290 nan 0.000 0.614 1153 E N 1.910 122.059 120.200 -0.085 0.000 2.002 1153 E HA -0.000 4.353 4.350 0.005 0.000 0.205 1153 E C 0.741 177.296 176.600 -0.074 0.000 1.020 1153 E CA 1.499 57.851 56.400 -0.080 0.000 0.856 1153 E CB -0.394 29.247 29.700 -0.098 0.000 0.788 1153 E HN 0.502 nan 8.360 nan 0.000 0.477 1154 A N 0.051 122.806 122.820 -0.108 0.000 2.450 1154 A HA 0.444 4.767 4.320 0.005 0.000 0.255 1154 A C 0.657 178.186 177.584 -0.092 0.000 1.096 1154 A CA 0.538 52.513 52.037 -0.104 0.000 0.778 1154 A CB 0.283 19.198 19.000 -0.140 0.000 1.031 1154 A HN 0.318 nan 8.150 nan 0.000 0.494 1155 S N 1.669 117.332 115.700 -0.062 0.000 4.131 1155 S HA -0.199 4.274 4.470 0.005 0.000 0.627 1155 S C 0.777 175.364 174.600 -0.023 0.000 1.900 1155 S CA 1.467 59.644 58.200 -0.039 0.000 4.175 1155 S CB -1.974 61.207 63.200 -0.033 0.000 0.209 1155 S HN 0.853 nan 8.310 nan 0.000 0.517 1156 D N 1.584 121.987 120.400 0.005 0.000 1.966 1156 D HA 0.578 5.221 4.640 0.005 0.000 0.292 1156 D C 0.989 177.333 176.300 0.073 0.000 1.078 1156 D CA 1.529 55.557 54.000 0.046 0.000 0.850 1156 D CB -0.834 40.032 40.800 0.110 0.000 1.006 1156 D HN 1.860 nan 8.370 nan 0.000 0.362 1157 A N -0.748 122.144 122.820 0.120 0.000 2.348 1157 A HA 0.061 4.384 4.320 0.005 0.000 0.653 1157 A C -0.695 177.077 177.584 0.314 0.000 0.215 1157 A CA -0.005 52.127 52.037 0.157 0.000 0.165 1157 A CB -1.685 17.353 19.000 0.064 0.000 3.786 1157 A HN 0.353 nan 8.150 nan 0.000 0.522 1158 F N 3.437 123.485 119.950 0.162 0.000 2.601 1158 F HA 0.738 5.268 4.527 0.005 0.000 0.309 1158 F C -0.147 175.745 175.800 0.153 0.000 1.089 1158 F CA -1.215 56.892 58.000 0.178 0.000 0.940 1158 F CB 1.564 40.706 39.000 0.237 0.000 1.273 1158 F HN 0.685 nan 8.300 nan 0.000 0.450 1159 R N 5.012 125.245 120.500 -0.445 0.000 2.247 1159 R HA 0.572 4.915 4.340 0.005 0.000 0.329 1159 R C -1.764 173.960 176.300 -0.960 0.000 1.014 1159 R CA -0.238 55.515 56.100 -0.578 0.000 0.907 1159 R CB 0.809 30.944 30.300 -0.276 0.000 1.146 1159 R HN 0.546 nan 8.270 nan 0.000 0.499 1160 V N 4.292 123.708 119.914 -0.830 0.000 2.732 1160 V HA 0.368 4.491 4.120 0.005 0.000 0.310 1160 V C 0.122 175.879 176.094 -0.563 0.000 1.053 1160 V CA -0.760 61.167 62.300 -0.621 0.000 0.957 1160 V CB 1.950 33.551 31.823 -0.370 0.000 1.018 1160 V HN 0.629 nan 8.190 nan 0.000 0.452 1161 H N 2.964 121.946 119.070 -0.147 0.000 2.472 1161 H HA 0.621 5.180 4.556 0.005 0.000 0.338 1161 H C -0.761 174.527 175.328 -0.066 0.000 1.133 1161 H CA -0.371 55.615 56.048 -0.104 0.000 1.216 1161 H CB 2.367 32.092 29.762 -0.063 0.000 1.497 1161 H HN 0.436 nan 8.280 nan 0.000 0.500 1162 I N 0.995 121.599 120.570 0.057 0.000 2.892 1162 I HA 0.180 4.353 4.170 0.005 0.000 0.306 1162 I C -0.484 175.650 176.117 0.028 0.000 1.078 1162 I CA -0.453 60.862 61.300 0.025 0.000 1.032 1162 I CB 1.770 39.771 38.000 0.000 0.000 1.229 1162 I HN 0.611 nan 8.210 nan 0.000 0.435 1163 C N 4.382 123.685 119.300 0.006 0.000 2.463 1163 C HA 0.609 5.072 4.460 0.005 0.000 0.380 1163 C C 1.653 176.626 174.990 -0.028 0.000 1.264 1163 C CA 0.203 59.211 59.018 -0.016 0.000 2.161 1163 C CB 0.156 27.889 27.740 -0.011 0.000 2.515 1163 C HN 0.967 nan 8.230 nan 0.000 0.565 1164 G N 3.620 112.399 108.800 -0.034 0.000 2.683 1164 G HA2 0.103 4.066 3.960 0.005 0.000 0.213 1164 G HA3 0.103 4.066 3.960 0.005 0.000 0.213 1164 G C 0.965 175.818 174.900 -0.080 0.000 1.142 1164 G CA 0.527 45.628 45.100 0.001 0.000 0.793 1164 G HN 0.765 nan 8.290 nan 0.000 0.534 1165 I N -0.043 120.490 120.570 -0.062 0.000 4.056 1165 I HA -0.013 4.160 4.170 0.005 0.000 0.232 1165 I C 2.660 178.780 176.117 0.006 0.000 1.031 1165 I CA 0.216 61.501 61.300 -0.026 0.000 1.571 1165 I CB -0.388 37.612 38.000 -0.001 0.000 1.470 1165 I HN 0.118 nan 8.210 nan 0.000 0.463 1166 c N 1.208 119.826 118.600 0.030 0.000 2.398 1166 c HA 0.011 4.584 4.570 0.005 0.000 0.276 1166 c C 1.900 176.072 174.090 0.137 0.000 1.222 1166 c CA 0.570 56.944 56.329 0.075 0.000 1.746 1166 c CB -1.755 40.783 42.510 0.046 0.000 2.039 1166 c HN 0.919 nan 8.230 nan 0.000 0.470 1167 G N -0.235 108.604 108.800 0.065 0.000 2.159 1167 G HA2 -0.164 3.799 3.960 0.005 0.000 0.227 1167 G HA3 -0.164 3.799 3.960 0.005 0.000 0.227 1167 G C -0.012 174.923 174.900 0.058 0.000 0.986 1167 G CA 0.253 45.416 45.100 0.105 0.000 0.651 1167 G HN 0.508 nan 8.290 nan 0.000 0.523 1168 L N -0.738 120.499 121.223 0.022 0.000 2.805 1168 L HA 0.731 5.074 4.340 0.005 0.000 0.242 1168 L C 1.475 178.343 176.870 -0.004 0.000 1.180 1168 L CA -1.178 53.655 54.840 -0.012 0.000 1.001 1168 L CB 0.523 42.583 42.059 0.002 0.000 1.864 1168 L HN 0.057 nan 8.230 nan 0.000 0.551 1169 M N -0.149 119.457 119.600 0.010 0.000 3.231 1169 M HA 0.216 4.699 4.480 0.005 0.000 0.231 1169 M C -0.097 176.232 176.300 0.049 0.000 1.136 1169 M CA -0.121 55.199 55.300 0.033 0.000 0.990 1169 M CB 0.169 32.796 32.600 0.045 0.000 1.291 1169 M HN 0.498 nan 8.290 nan 0.000 0.565 1170 T N -1.531 113.049 114.554 0.043 0.000 3.037 1170 T HA 0.112 4.465 4.350 0.005 0.000 0.251 1170 T C 0.950 175.682 174.700 0.053 0.000 1.079 1170 T CA -0.101 62.026 62.100 0.045 0.000 1.067 1170 T CB 0.089 68.978 68.868 0.035 0.000 0.948 1170 T HN 0.320 nan 8.240 nan 0.000 0.496 1171 V N 2.487 122.437 119.914 0.060 0.000 2.832 1171 V HA -0.065 4.058 4.120 0.005 0.000 0.299 1171 V C 0.575 176.724 176.094 0.092 0.000 1.201 1171 V CA 0.114 62.461 62.300 0.078 0.000 1.325 1171 V CB -0.292 31.589 31.823 0.097 0.000 0.871 1171 V HN 0.413 nan 8.190 nan 0.000 0.509 1172 I N 3.784 124.405 120.570 0.085 0.000 2.365 1172 I HA 0.398 4.571 4.170 0.005 0.000 0.291 1172 I C 0.908 177.063 176.117 0.064 0.000 1.004 1172 I CA 0.065 61.402 61.300 0.062 0.000 1.311 1172 I CB 1.415 39.431 38.000 0.026 0.000 1.401 1172 I HN 0.765 nan 8.210 nan 0.000 0.491 1173 A N 7.337 130.189 122.820 0.054 0.000 3.105 1173 A HA 0.171 4.494 4.320 0.005 0.000 0.272 1173 A C 0.715 178.262 177.584 -0.062 0.000 1.466 1173 A CA -0.311 51.747 52.037 0.034 0.000 1.101 1173 A CB -0.626 18.448 19.000 0.124 0.000 1.065 1173 A HN 0.657 nan 8.150 nan 0.000 0.643 1174 K N 0.861 121.166 120.400 -0.158 0.000 2.652 1174 K HA 0.086 4.409 4.320 0.005 0.000 0.239 1174 K C -0.443 175.988 176.600 -0.282 0.000 1.235 1174 K CA 0.108 56.307 56.287 -0.147 0.000 1.191 1174 K CB -0.452 31.974 32.500 -0.123 0.000 1.348 1174 K HN 0.607 nan 8.250 nan 0.000 0.239 1175 L N 1.853 122.942 121.223 -0.222 0.000 2.281 1175 L HA 0.047 4.390 4.340 0.005 0.000 0.285 1175 L C 0.650 177.356 176.870 -0.273 0.000 1.074 1175 L CA 0.430 55.130 54.840 -0.233 0.000 0.817 1175 L CB 0.325 42.341 42.059 -0.071 0.000 1.168 1175 L HN 0.601 nan 8.230 nan 0.000 0.434 1176 N N 0.981 119.490 118.700 -0.318 0.000 2.453 1176 N HA -0.187 4.556 4.740 0.005 0.000 0.198 1176 N C -0.623 174.634 175.510 -0.421 0.000 1.661 1176 N CA 0.564 53.366 53.050 -0.413 0.000 3.309 1176 N CB -0.541 37.560 38.487 -0.642 0.000 1.501 1176 N HN 0.706 nan 8.380 nan 0.000 1.127 1177 H N 1.623 120.621 119.070 -0.121 0.000 2.821 1177 H HA 0.348 4.907 4.556 0.005 0.000 0.262 1177 H C -0.493 174.719 175.328 -0.193 0.000 1.402 1177 H CA -0.462 55.513 56.048 -0.122 0.000 1.293 1177 H CB -1.228 28.474 29.762 -0.101 0.000 1.533 1177 H HN 0.318 nan 8.280 nan 0.000 0.528 1178 N N 3.446 122.074 118.700 -0.120 0.000 2.210 1178 N HA -0.109 4.634 4.740 0.005 0.000 0.285 1178 N C -0.504 174.863 175.510 -0.238 0.000 1.277 1178 N CA 0.494 53.422 53.050 -0.204 0.000 1.131 1178 N CB 0.151 38.598 38.487 -0.066 0.000 1.495 1178 N HN 0.562 nan 8.380 nan 0.000 0.483 1179 Q N 1.588 121.122 119.800 -0.442 0.000 2.275 1179 Q HA 0.266 4.609 4.340 0.005 0.000 0.266 1179 Q C -1.194 174.482 176.000 -0.540 0.000 1.002 1179 Q CA -0.389 55.221 55.803 -0.321 0.000 0.761 1179 Q CB 1.315 29.954 28.738 -0.165 0.000 1.255 1179 Q HN 0.367 nan 8.270 nan 0.000 0.446 1180 F N 2.088 121.993 119.950 -0.074 0.000 2.389 1180 F HA 0.231 4.761 4.527 0.005 0.000 0.327 1180 F C 0.256 176.012 175.800 -0.074 0.000 1.204 1180 F CA -0.815 57.126 58.000 -0.100 0.000 1.209 1180 F CB 0.883 39.796 39.000 -0.145 0.000 1.460 1180 F HN 0.264 nan 8.300 nan 0.000 0.537 1181 E N 0.252 120.485 120.200 0.054 0.000 2.392 1181 E HA -0.052 4.301 4.350 0.005 0.000 0.264 1181 E C 0.541 177.170 176.600 0.048 0.000 1.024 1181 E CA 0.057 56.477 56.400 0.035 0.000 0.903 1181 E CB 1.719 31.423 29.700 0.007 0.000 0.963 1181 E HN 0.625 nan 8.360 nan 0.000 0.432 1182 C N 2.738 122.056 119.300 0.031 0.000 2.689 1182 C HA 0.046 4.509 4.460 0.005 0.000 0.336 1182 C C -0.230 174.772 174.990 0.020 0.000 1.304 1182 C CA 0.494 59.527 59.018 0.025 0.000 1.860 1182 C CB -0.538 27.209 27.740 0.012 0.000 2.405 1182 C HN 0.983 nan 8.230 nan 0.000 0.557 1183 K N 0.180 120.589 120.400 0.015 0.000 5.469 1183 K HA 0.073 4.396 4.320 0.005 0.000 0.570 1183 K C 0.825 177.433 176.600 0.013 0.000 2.578 1183 K CA 1.386 57.680 56.287 0.012 0.000 2.028 1183 K CB -1.632 30.874 32.500 0.011 0.000 2.378 1183 K HN 1.747 nan 8.250 nan 0.000 0.291 1184 G N 1.091 109.898 108.800 0.011 0.000 4.236 1184 G HA2 -0.473 3.490 3.960 0.005 0.000 0.222 1184 G HA3 -0.473 3.490 3.960 0.005 0.000 0.222 1184 G C 1.562 176.469 174.900 0.012 0.000 1.354 1184 G CA 0.535 45.642 45.100 0.012 0.000 0.966 1184 G HN 1.232 nan 8.290 nan 0.000 0.624 1185 c N 1.587 120.195 118.600 0.013 0.000 2.449 1185 c HA 0.251 4.824 4.570 0.005 0.000 0.283 1185 c C 1.336 175.430 174.090 0.006 0.000 1.453 1185 c CA 0.893 57.229 56.329 0.011 0.000 1.779 1185 c CB -1.292 41.225 42.510 0.011 0.000 1.779 1185 c HN 0.725 nan 8.230 nan 0.000 0.546 1186 D N 0.528 120.932 120.400 0.006 0.000 2.911 1186 D HA -0.165 4.478 4.640 0.005 0.000 0.227 1186 D C -0.085 176.215 176.300 -0.000 0.000 1.164 1186 D CA 0.986 54.987 54.000 0.003 0.000 0.782 1186 D CB -1.743 39.058 40.800 0.003 0.000 1.094 1186 D HN 0.733 nan 8.370 nan 0.000 0.425 1187 N N 0.173 118.872 118.700 -0.001 0.000 2.400 1187 N HA 0.261 5.004 4.740 0.005 0.000 0.288 1187 N C 0.603 176.111 175.510 -0.004 0.000 1.024 1187 N CA -0.386 52.658 53.050 -0.010 0.000 0.894 1187 N CB 0.943 39.418 38.487 -0.021 0.000 1.173 1187 N HN -0.126 nan 8.380 nan 0.000 0.487 1188 K N 2.554 122.950 120.400 -0.006 0.000 2.399 1188 K HA 0.235 4.558 4.320 0.005 0.000 0.196 1188 K C 1.022 177.624 176.600 0.003 0.000 1.117 1188 K CA 0.299 56.595 56.287 0.016 0.000 0.965 1188 K CB 0.598 33.107 32.500 0.015 0.000 0.983 1188 K HN 0.445 nan 8.250 nan 0.000 0.531 1189 I N 0.523 121.067 120.570 -0.042 0.000 2.834 1189 I HA -0.036 4.137 4.170 0.005 0.000 0.239 1189 I C 0.187 176.193 176.117 -0.185 0.000 1.073 1189 I CA 0.390 61.640 61.300 -0.084 0.000 1.459 1189 I CB 0.040 38.001 38.000 -0.065 0.000 1.288 1189 I HN -0.063 nan 8.210 nan 0.000 0.455 1190 D N 2.993 123.285 120.400 -0.181 0.000 2.380 1190 D HA 0.270 4.913 4.640 0.005 0.000 0.270 1190 D C -0.663 175.406 176.300 -0.386 0.000 1.363 1190 D CA 0.857 54.689 54.000 -0.281 0.000 1.057 1190 D CB 0.323 41.045 40.800 -0.130 0.000 1.096 1190 D HN 0.018 nan 8.370 nan 0.000 0.524 1191 I N 2.510 122.659 120.570 -0.701 0.000 2.722 1191 I HA 0.231 4.404 4.170 0.005 0.000 0.292 1191 I C -1.611 174.015 176.117 -0.818 0.000 1.267 1191 I CA -0.594 60.350 61.300 -0.593 0.000 1.036 1191 I CB 1.773 39.515 38.000 -0.430 0.000 1.281 1191 I HN 0.049 nan 8.210 nan 0.000 0.423 1192 Y N 4.437 124.638 120.300 -0.166 0.000 2.442 1192 Y HA 0.501 5.054 4.550 0.005 0.000 0.344 1192 Y C -0.191 175.655 175.900 -0.091 0.000 0.976 1192 Y CA -0.681 57.336 58.100 -0.138 0.000 1.040 1192 Y CB 1.807 40.187 38.460 -0.133 0.000 1.228 1192 Y HN 0.412 nan 8.280 nan 0.000 0.451 1193 Q N 4.960 124.788 119.800 0.047 0.000 2.296 1193 Q HA 0.420 4.763 4.340 0.005 0.000 0.262 1193 Q C -0.824 175.063 176.000 -0.189 0.000 0.981 1193 Q CA -0.441 55.267 55.803 -0.157 0.000 0.905 1193 Q CB 0.675 29.342 28.738 -0.119 0.000 1.186 1193 Q HN 0.675 nan 8.270 nan 0.000 0.399 1194 I N 1.218 121.605 120.570 -0.305 0.000 2.892 1194 I HA 0.468 4.641 4.170 0.005 0.000 0.306 1194 I C -1.474 174.429 176.117 -0.356 0.000 1.078 1194 I CA -0.798 60.362 61.300 -0.233 0.000 1.032 1194 I CB 2.095 40.032 38.000 -0.106 0.000 1.229 1194 I HN 0.669 nan 8.210 nan 0.000 0.435 1195 H N 6.069 125.100 119.070 -0.064 0.000 2.551 1195 H HA 0.628 5.187 4.556 0.005 0.000 0.321 1195 H C -0.294 175.035 175.328 0.001 0.000 1.028 1195 H CA -0.299 55.722 56.048 -0.045 0.000 1.215 1195 H CB 1.894 31.642 29.762 -0.023 0.000 1.414 1195 H HN 0.633 nan 8.280 nan 0.000 0.480 1196 I N 0.656 121.312 120.570 0.143 0.000 2.969 1196 I HA 0.526 4.699 4.170 0.005 0.000 0.307 1196 I C -3.172 173.053 176.117 0.180 0.000 1.149 1196 I CA -2.982 58.404 61.300 0.144 0.000 1.008 1196 I CB 2.017 40.109 38.000 0.153 0.000 1.232 1196 I HN 0.133 nan 8.210 nan 0.000 0.435 1197 P HA 0.099 nan 4.420 nan 0.000 0.268 1197 P C 0.336 177.772 177.300 0.226 0.000 1.204 1197 P CA 0.310 63.510 63.100 0.166 0.000 0.768 1197 P CB 0.353 32.105 31.700 0.088 0.000 0.842 1198 Y N 4.544 124.950 120.300 0.178 0.000 2.102 1198 Y HA -0.369 4.184 4.550 0.006 0.000 0.280 1198 Y C 2.336 178.259 175.900 0.039 0.000 1.178 1198 Y CA 2.531 60.712 58.100 0.134 0.000 1.146 1198 Y CB -0.860 37.528 38.460 -0.121 0.000 0.968 1198 Y HN 0.467 nan 8.280 nan 0.000 0.504 1199 A N 0.378 123.319 122.820 0.202 0.000 1.954 1199 A HA -0.364 3.959 4.320 0.005 0.000 0.222 1199 A C 2.384 179.898 177.584 -0.117 0.000 1.199 1199 A CA 2.725 54.795 52.037 0.055 0.000 0.657 1199 A CB -1.678 17.347 19.000 0.041 0.000 0.823 1199 A HN 0.706 nan 8.150 nan 0.000 0.463 1200 A N -0.526 122.194 122.820 -0.167 0.000 1.854 1200 A HA -0.098 4.225 4.320 0.005 0.000 0.214 1200 A C 2.141 179.366 177.584 -0.599 0.000 1.192 1200 A CA 1.928 53.689 52.037 -0.461 0.000 0.611 1200 A CB -0.507 18.277 19.000 -0.360 0.000 0.832 1200 A HN 0.471 nan 8.150 nan 0.000 0.442 1201 K N -0.087 120.195 120.400 -0.195 0.000 2.107 1201 K HA -0.195 4.128 4.320 0.005 0.000 0.211 1201 K C 1.831 178.366 176.600 -0.109 0.000 1.049 1201 K CA 1.789 58.076 56.287 0.000 0.000 0.927 1201 K CB -0.547 31.977 32.500 0.040 0.000 0.714 1201 K HN 0.370 nan 8.250 nan 0.000 0.452 1202 L N 1.738 122.806 121.223 -0.258 0.000 2.056 1202 L HA -0.156 4.187 4.340 0.005 0.000 0.207 1202 L C 2.596 179.405 176.870 -0.101 0.000 1.078 1202 L CA 1.440 56.174 54.840 -0.176 0.000 0.749 1202 L CB -1.123 40.860 42.059 -0.127 0.000 0.901 1202 L HN 0.347 nan 8.230 nan 0.000 0.433 1203 L N -0.559 120.554 121.223 -0.182 0.000 2.012 1203 L HA -0.227 4.116 4.340 0.005 0.000 0.210 1203 L C 2.403 179.249 176.870 -0.039 0.000 1.073 1203 L CA 1.962 56.702 54.840 -0.167 0.000 0.748 1203 L CB -0.883 40.987 42.059 -0.314 0.000 0.891 1203 L HN 0.128 nan 8.230 nan 0.000 0.431 1204 F N -0.263 119.683 119.950 -0.007 0.000 2.102 1204 F HA -0.252 4.278 4.527 0.005 0.000 0.298 1204 F C 2.675 178.475 175.800 -0.000 0.000 1.105 1204 F CA 1.304 59.303 58.000 -0.001 0.000 1.239 1204 F CB -0.400 38.600 39.000 -0.001 0.000 0.991 1204 F HN 0.198 nan 8.300 nan 0.000 0.474 1205 Q N 0.286 120.197 119.800 0.185 0.000 2.096 1205 Q HA -0.235 4.108 4.340 0.005 0.000 0.204 1205 Q C 1.972 178.019 176.000 0.077 0.000 0.982 1205 Q CA 1.750 57.615 55.803 0.103 0.000 0.850 1205 Q CB -0.282 28.491 28.738 0.058 0.000 0.901 1205 Q HN 0.549 nan 8.270 nan 0.000 0.422 1206 E N 0.362 120.600 120.200 0.062 0.000 2.015 1206 E HA -0.160 4.193 4.350 0.005 0.000 0.191 1206 E C 2.123 178.759 176.600 0.061 0.000 0.991 1206 E CA 0.692 57.121 56.400 0.048 0.000 0.802 1206 E CB -0.037 29.680 29.700 0.029 0.000 0.759 1206 E HN 0.233 nan 8.360 nan 0.000 0.447 1207 L N 0.346 121.621 121.223 0.086 0.000 1.971 1207 L HA -0.276 4.067 4.340 0.005 0.000 0.215 1207 L C 2.655 179.571 176.870 0.077 0.000 1.072 1207 L CA 1.634 56.530 54.840 0.093 0.000 0.758 1207 L CB -0.638 41.512 42.059 0.151 0.000 0.889 1207 L HN 0.327 nan 8.230 nan 0.000 0.433 1208 M N -0.254 119.400 119.600 0.090 0.000 2.308 1208 M HA -0.295 4.189 4.480 0.005 0.000 0.257 1208 M C 2.179 178.508 176.300 0.048 0.000 1.070 1208 M CA 2.727 58.065 55.300 0.063 0.000 1.080 1208 M CB -0.444 32.198 32.600 0.070 0.000 1.274 1208 M HN 0.292 nan 8.290 nan 0.000 0.434 1209 A N -1.305 121.545 122.820 0.049 0.000 2.066 1209 A HA -0.122 4.201 4.320 0.005 0.000 0.218 1209 A C 2.146 179.750 177.584 0.033 0.000 1.157 1209 A CA 1.557 53.618 52.037 0.039 0.000 0.670 1209 A CB -0.808 18.215 19.000 0.039 0.000 0.804 1209 A HN 0.684 nan 8.150 nan 0.000 0.453 1210 M N -1.126 118.495 119.600 0.036 0.000 2.618 1210 M HA 0.066 4.550 4.480 0.005 0.000 0.240 1210 M C 0.593 176.909 176.300 0.028 0.000 1.123 1210 M CA 0.753 56.072 55.300 0.030 0.000 1.060 1210 M CB -0.206 32.413 32.600 0.032 0.000 1.535 1210 M HN 0.609 nan 8.290 nan 0.000 0.507 1211 N N 0.076 118.794 118.700 0.029 0.000 3.031 1211 N HA -0.133 4.611 4.740 0.005 0.000 0.232 1211 N C -0.868 174.655 175.510 0.022 0.000 0.958 1211 N CA 0.082 53.146 53.050 0.024 0.000 0.964 1211 N CB -0.751 37.748 38.487 0.019 0.000 1.086 1211 N HN 0.334 nan 8.380 nan 0.000 0.558 1212 I N 2.134 122.721 120.570 0.028 0.000 2.339 1212 I HA 0.136 4.309 4.170 0.005 0.000 0.290 1212 I C 0.800 176.930 176.117 0.023 0.000 0.994 1212 I CA -0.417 60.898 61.300 0.024 0.000 1.191 1212 I CB 1.520 39.538 38.000 0.030 0.000 1.343 1212 I HN 0.033 nan 8.210 nan 0.000 0.458 1213 T N 4.480 119.037 114.554 0.005 0.000 2.738 1213 T HA 0.377 4.730 4.350 0.005 0.000 0.293 1213 T C -2.331 172.346 174.700 -0.038 0.000 0.913 1213 T CA -1.383 60.710 62.100 -0.012 0.000 1.103 1213 T CB 0.372 69.232 68.868 -0.014 0.000 0.880 1213 T HN 0.303 nan 8.240 nan 0.000 0.526 1214 P HA 0.429 nan 4.420 nan 0.000 0.295 1214 P C -0.711 176.429 177.300 -0.265 0.000 1.397 1214 P CA -0.749 62.255 63.100 -0.160 0.000 0.903 1214 P CB 0.722 32.323 31.700 -0.164 0.000 1.028 1215 R N 3.304 123.696 120.500 -0.180 0.000 2.215 1215 R HA 0.400 4.743 4.340 0.005 0.000 0.336 1215 R C -0.208 176.070 176.300 -0.037 0.000 0.996 1215 R CA -0.927 55.123 56.100 -0.084 0.000 0.847 1215 R CB 0.946 31.211 30.300 -0.059 0.000 1.127 1215 R HN 0.377 nan 8.270 nan 0.000 0.465 1216 L N 4.993 126.206 121.223 -0.018 0.000 2.315 1216 L HA 0.265 4.608 4.340 0.005 0.000 0.283 1216 L C -0.361 176.656 176.870 0.245 0.000 1.089 1216 L CA 0.059 54.909 54.840 0.016 0.000 0.833 1216 L CB -0.507 41.491 42.059 -0.101 0.000 1.170 1216 L HN 0.475 nan 8.230 nan 0.000 0.442 1217 Y N 1.155 121.390 120.300 -0.109 0.000 2.446 1217 Y HA 0.324 4.877 4.550 0.005 0.000 0.338 1217 Y C 1.403 177.216 175.900 -0.145 0.000 1.055 1217 Y CA -1.139 56.894 58.100 -0.113 0.000 1.101 1217 Y CB 1.975 40.386 38.460 -0.081 0.000 1.221 1217 Y HN 0.588 nan 8.280 nan 0.000 0.460 1218 T N -3.177 111.274 114.554 -0.172 0.000 3.054 1218 T HA 0.143 4.496 4.350 0.005 0.000 0.255 1218 T C -0.455 174.131 174.700 -0.191 0.000 1.035 1218 T CA -0.221 61.721 62.100 -0.263 0.000 0.941 1218 T CB -0.285 68.224 68.868 -0.599 0.000 1.026 1218 T HN 0.491 nan 8.240 nan 0.000 0.533 1219 D N 0.315 120.651 120.400 -0.108 0.000 2.375 1219 D HA 0.394 5.037 4.640 0.005 0.000 0.247 1219 D C 0.894 177.191 176.300 -0.004 0.000 1.061 1219 D CA -1.147 52.818 54.000 -0.058 0.000 0.834 1219 D CB 1.293 42.060 40.800 -0.055 0.000 1.247 1219 D HN -0.342 nan 8.370 nan 0.000 0.489 1220 R N 0.803 121.299 120.500 -0.007 0.000 2.249 1220 R HA 0.002 4.345 4.340 0.005 0.000 0.230 1220 R C 0.093 176.404 176.300 0.017 0.000 1.121 1220 R CA 0.456 56.559 56.100 0.006 0.000 0.997 1220 R CB -0.436 29.866 30.300 0.003 0.000 0.867 1220 R HN 0.414 nan 8.270 nan 0.000 0.465 1221 S N 0.471 116.185 115.700 0.023 0.000 2.585 1221 S HA 0.317 4.790 4.470 0.005 0.000 0.277 1221 S C 0.293 174.921 174.600 0.047 0.000 1.241 1221 S CA -0.620 57.600 58.200 0.034 0.000 1.041 1221 S CB 1.731 64.949 63.200 0.031 0.000 0.987 1221 S HN 0.048 nan 8.310 nan 0.000 0.512 1222 R N 1.508 122.040 120.500 0.053 0.000 2.539 1222 R HA 0.115 4.458 4.340 0.005 0.000 0.275 1222 R C -0.084 176.272 176.300 0.094 0.000 1.077 1222 R CA -0.382 55.756 56.100 0.064 0.000 1.097 1222 R CB 0.314 30.653 30.300 0.065 0.000 1.018 1222 R HN 0.598 nan 8.270 nan 0.000 0.483 1223 D N 1.165 121.624 120.400 0.098 0.000 2.392 1223 D HA -0.064 4.579 4.640 0.005 0.000 0.228 1223 D C 0.376 176.756 176.300 0.134 0.000 1.003 1223 D CA 0.586 54.646 54.000 0.101 0.000 0.917 1223 D CB -0.123 40.732 40.800 0.092 0.000 0.890 1223 D HN 0.316 nan 8.370 nan 0.000 0.532 1224 F N 0.000 119.954 119.950 0.006 0.000 2.286 1224 F HA 0.000 4.530 4.527 0.005 0.000 0.279 1224 F CA 0.000 58.003 58.000 0.004 0.000 1.383 1224 F CB 0.000 39.001 39.000 0.001 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574