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 1r9t_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 0.000 176.294 176.300 -0.010 0.000 2.045 20 D CA 0.000 54.001 54.000 0.001 0.000 0.868 20 D CB 0.000 40.801 40.800 0.002 0.000 0.688 21 E N -0.290 119.897 120.200 -0.023 0.000 2.433 21 E HA -0.249 4.103 4.350 0.004 0.000 0.209 21 E C 0.930 177.484 176.600 -0.077 0.000 1.065 21 E CA 1.078 57.447 56.400 -0.051 0.000 0.863 21 E CB 0.198 29.860 29.700 -0.063 0.000 0.772 21 E HN 0.098 nan 8.360 nan 0.000 0.524 22 S N -0.148 115.523 115.700 -0.050 0.000 3.036 22 S HA 0.403 4.875 4.470 0.004 0.000 0.194 22 S C 0.426 175.004 174.600 -0.038 0.000 0.797 22 S CA 0.250 58.418 58.200 -0.053 0.000 0.822 22 S CB 0.031 63.210 63.200 -0.036 0.000 0.810 22 S HN 0.508 nan 8.310 nan 0.000 0.629 23 A N 3.132 125.941 122.820 -0.018 0.000 2.651 23 A HA -0.113 4.209 4.320 0.004 0.000 0.289 23 A C -2.313 175.274 177.584 0.005 0.000 1.912 23 A CA 0.549 52.586 52.037 -0.001 0.000 2.097 23 A CB -1.109 17.892 19.000 0.002 0.000 1.254 23 A HN 0.396 nan 8.150 nan 0.000 0.541 24 P HA 0.589 nan 4.420 nan 0.000 0.281 24 P C -0.210 177.103 177.300 0.021 0.000 1.281 24 P CA -0.592 62.519 63.100 0.018 0.000 0.811 24 P CB 0.694 32.411 31.700 0.028 0.000 1.154 25 I N 0.129 120.703 120.570 0.006 0.000 2.886 25 I HA 0.288 4.460 4.170 0.004 0.000 0.299 25 I C 1.236 177.373 176.117 0.033 0.000 1.044 25 I CA 0.023 61.336 61.300 0.022 0.000 1.310 25 I CB 0.716 38.711 38.000 -0.009 0.000 1.441 25 I HN 0.415 nan 8.210 nan 0.000 0.578 26 T N 0.975 115.568 114.554 0.065 0.000 2.907 26 T HA 0.632 4.985 4.350 0.004 0.000 0.292 26 T C 0.720 175.484 174.700 0.108 0.000 1.043 26 T CA -0.172 61.970 62.100 0.070 0.000 1.003 26 T CB 1.810 70.726 68.868 0.080 0.000 1.084 26 T HN 0.791 nan 8.240 nan 0.000 0.483 27 A N 2.304 125.191 122.820 0.111 0.000 2.028 27 A HA -0.343 3.979 4.320 0.004 0.000 0.296 27 A C 1.994 179.696 177.584 0.198 0.000 3.464 27 A CA 2.709 54.845 52.037 0.165 0.000 1.008 27 A CB -2.005 17.108 19.000 0.189 0.000 0.658 27 A HN 1.034 nan 8.150 nan 0.000 0.482 28 E N -1.000 119.330 120.200 0.217 0.000 1.973 28 E HA -0.319 4.033 4.350 0.004 0.000 0.233 28 E C 1.471 178.231 176.600 0.267 0.000 0.960 28 E CA 1.734 58.290 56.400 0.259 0.000 0.884 28 E CB -0.746 29.064 29.700 0.184 0.000 0.817 28 E HN 0.620 nan 8.360 nan 0.000 0.570 29 D N -0.803 119.723 120.400 0.211 0.000 8.316 29 D HA -0.233 4.409 4.640 0.004 0.000 0.197 29 D C 1.681 178.115 176.300 0.223 0.000 2.162 29 D CA 1.884 56.007 54.000 0.205 0.000 0.740 29 D CB -0.538 40.361 40.800 0.165 0.000 0.643 29 D HN 0.232 nan 8.370 nan 0.000 0.905 30 S N -1.748 114.066 115.700 0.189 0.000 2.501 30 S HA -0.040 4.432 4.470 0.004 0.000 0.220 30 S C 1.570 176.142 174.600 -0.047 0.000 0.997 30 S CA -0.078 58.192 58.200 0.116 0.000 0.919 30 S CB -0.455 62.784 63.200 0.064 0.000 0.778 30 S HN 0.381 nan 8.310 nan 0.000 0.523 31 W N 2.312 123.670 121.300 0.097 0.000 2.611 31 W HA 0.238 4.901 4.660 0.004 0.000 0.251 31 W C 2.471 179.063 176.519 0.123 0.000 1.265 31 W CA 0.459 57.855 57.345 0.085 0.000 1.295 31 W CB -0.168 29.335 29.460 0.071 0.000 1.129 31 W HN 0.396 nan 8.180 nan 0.000 0.630 32 A N -0.701 122.293 122.820 0.289 0.000 1.935 32 A HA -0.063 4.260 4.320 0.004 0.000 0.214 32 A C 1.955 179.652 177.584 0.188 0.000 1.178 32 A CA 1.292 53.481 52.037 0.253 0.000 0.640 32 A CB -0.839 18.300 19.000 0.231 0.000 0.825 32 A HN 0.048 nan 8.150 nan 0.000 0.447 33 V N 0.681 120.681 119.914 0.143 0.000 2.392 33 V HA -0.257 3.865 4.120 0.004 0.000 0.249 33 V C 2.399 178.498 176.094 0.007 0.000 1.059 33 V CA 1.840 64.202 62.300 0.103 0.000 1.051 33 V CB -0.698 31.127 31.823 0.004 0.000 0.658 33 V HN 0.508 nan 8.190 nan 0.000 0.455 34 I N 0.043 120.552 120.570 -0.100 0.000 2.142 34 I HA -0.185 3.987 4.170 0.004 0.000 0.240 34 I C 2.595 178.583 176.117 -0.214 0.000 1.078 34 I CA 1.302 62.435 61.300 -0.277 0.000 1.343 34 I CB -1.712 36.159 38.000 -0.215 0.000 1.046 34 I HN 0.225 nan 8.210 nan 0.000 0.405 35 S N 1.185 116.895 115.700 0.015 0.000 2.414 35 S HA -0.357 4.116 4.470 0.004 0.000 0.238 35 S C 2.254 176.888 174.600 0.057 0.000 1.055 35 S CA 2.270 60.551 58.200 0.135 0.000 1.174 35 S CB -0.951 62.415 63.200 0.277 0.000 1.087 35 S HN 0.599 nan 8.310 nan 0.000 0.428 36 A N 1.206 124.079 122.820 0.089 0.000 1.929 36 A HA -0.166 4.156 4.320 0.004 0.000 0.221 36 A C 1.478 179.038 177.584 -0.041 0.000 1.211 36 A CA 2.131 54.221 52.037 0.090 0.000 0.657 36 A CB -1.018 18.103 19.000 0.201 0.000 0.827 36 A HN 0.538 nan 8.150 nan 0.000 0.462 37 F N -2.363 117.273 119.950 -0.523 0.000 2.192 37 F HA 0.314 4.843 4.527 0.004 0.000 0.187 37 F C 1.454 176.824 175.800 -0.717 0.000 0.671 37 F CA 0.625 57.964 58.000 -1.101 0.000 1.101 37 F CB -0.369 37.506 39.000 -1.875 0.000 2.219 37 F HN 0.247 nan 8.300 nan 0.000 0.677 38 F N -0.306 119.139 119.950 -0.842 0.000 2.686 38 F HA -0.474 4.055 4.527 0.004 0.000 0.543 38 F C 2.196 177.840 175.800 -0.260 0.000 0.506 38 F CA 1.734 59.477 58.000 -0.428 0.000 0.636 38 F CB -0.936 37.861 39.000 -0.338 0.000 1.561 38 F HN 0.334 nan 8.300 nan 0.000 0.246 39 R N -0.228 120.264 120.500 -0.013 0.000 2.127 39 R HA -0.064 4.278 4.340 0.004 0.000 0.217 39 R C 1.720 177.981 176.300 -0.066 0.000 1.074 39 R CA 1.208 57.317 56.100 0.015 0.000 0.991 39 R CB -0.371 29.949 30.300 0.034 0.000 0.895 39 R HN 0.455 nan 8.270 nan 0.000 0.450 40 E N 1.282 121.382 120.200 -0.166 0.000 2.478 40 E HA -0.061 4.291 4.350 0.004 0.000 0.194 40 E C 0.668 177.143 176.600 -0.208 0.000 1.045 40 E CA 0.562 56.877 56.400 -0.142 0.000 0.868 40 E CB 0.410 30.074 29.700 -0.059 0.000 0.885 40 E HN 0.319 nan 8.360 nan 0.000 0.505 41 K N -1.459 118.743 120.400 -0.331 0.000 2.544 41 K HA 0.267 4.589 4.320 0.004 0.000 0.213 41 K C 0.830 177.326 176.600 -0.173 0.000 1.392 41 K CA 0.296 56.405 56.287 -0.297 0.000 0.980 41 K CB 1.374 33.599 32.500 -0.458 0.000 1.177 41 K HN 0.105 nan 8.250 nan 0.000 0.570 42 G N 2.214 110.971 108.800 -0.072 0.000 2.693 42 G HA2 -0.277 3.685 3.960 0.004 0.000 0.226 42 G HA3 -0.277 3.685 3.960 0.004 0.000 0.226 42 G C 0.148 175.054 174.900 0.010 0.000 1.354 42 G CA -0.247 44.851 45.100 -0.004 0.000 0.873 42 G HN 0.092 nan 8.290 nan 0.000 0.562 43 L N 0.279 121.487 121.223 -0.024 0.000 2.640 43 L HA 0.240 4.582 4.340 0.004 0.000 0.230 43 L C 2.049 178.895 176.870 -0.040 0.000 1.123 43 L CA 0.968 55.790 54.840 -0.029 0.000 0.900 43 L CB 0.263 42.276 42.059 -0.075 0.000 1.146 43 L HN 0.792 nan 8.230 nan 0.000 0.484 44 V N -6.630 113.252 119.914 -0.052 0.000 3.382 44 V HA 0.129 4.251 4.120 0.004 0.000 0.296 44 V C 1.905 177.955 176.094 -0.073 0.000 1.529 44 V CA 0.365 62.624 62.300 -0.068 0.000 1.048 44 V CB 0.197 31.976 31.823 -0.073 0.000 0.878 44 V HN 0.307 nan 8.190 nan 0.000 0.442 45 S N 3.220 118.875 115.700 -0.075 0.000 2.265 45 S HA -0.569 3.904 4.470 0.004 0.000 0.368 45 S C 1.992 176.559 174.600 -0.055 0.000 1.046 45 S CA 3.374 61.530 58.200 -0.074 0.000 2.010 45 S CB -1.585 61.551 63.200 -0.107 0.000 1.582 45 S HN 1.151 nan 8.310 nan 0.000 0.486 46 Q N 0.756 120.518 119.800 -0.063 0.000 2.346 46 Q HA -0.416 3.926 4.340 0.004 0.000 0.224 46 Q C 2.075 178.053 176.000 -0.038 0.000 1.092 46 Q CA 2.455 58.228 55.803 -0.050 0.000 0.982 46 Q CB -1.052 27.643 28.738 -0.072 0.000 1.085 46 Q HN 0.781 nan 8.270 nan 0.000 0.492 47 Q N 0.374 120.137 119.800 -0.062 0.000 2.049 47 Q HA 0.023 4.366 4.340 0.004 0.000 0.198 47 Q C 2.502 178.471 176.000 -0.052 0.000 0.971 47 Q CA 1.623 57.382 55.803 -0.073 0.000 0.833 47 Q CB -0.128 28.527 28.738 -0.138 0.000 0.896 47 Q HN 0.565 nan 8.270 nan 0.000 0.434 48 L N 0.723 121.908 121.223 -0.063 0.000 1.976 48 L HA -0.216 4.126 4.340 0.004 0.000 0.209 48 L C 2.061 178.962 176.870 0.052 0.000 1.071 48 L CA 1.547 56.372 54.840 -0.025 0.000 0.746 48 L CB -0.748 41.291 42.059 -0.034 0.000 0.890 48 L HN 0.109 nan 8.230 nan 0.000 0.432 49 D N -0.306 120.109 120.400 0.025 0.000 2.126 49 D HA -0.240 4.402 4.640 0.004 0.000 0.190 49 D C 2.400 178.740 176.300 0.066 0.000 1.001 49 D CA 1.844 55.867 54.000 0.038 0.000 0.841 49 D CB -0.109 40.713 40.800 0.037 0.000 0.949 49 D HN 0.117 nan 8.370 nan 0.000 0.446 50 S N -1.470 114.271 115.700 0.068 0.000 2.365 50 S HA -0.214 4.258 4.470 0.004 0.000 0.225 50 S C 1.675 176.382 174.600 0.177 0.000 1.039 50 S CA 1.114 59.369 58.200 0.092 0.000 1.033 50 S CB -0.435 62.812 63.200 0.079 0.000 0.887 50 S HN 0.319 nan 8.310 nan 0.000 0.447 51 F N 2.821 122.786 119.950 0.025 0.000 2.053 51 F HA -0.069 4.460 4.527 0.004 0.000 0.292 51 F C 2.109 177.981 175.800 0.120 0.000 1.125 51 F CA 1.817 59.872 58.000 0.092 0.000 1.193 51 F CB -0.780 38.288 39.000 0.114 0.000 0.996 51 F HN 0.182 nan 8.300 nan 0.000 0.470 52 N N 0.532 119.497 118.700 0.441 0.000 2.182 52 N HA -0.347 4.396 4.740 0.004 0.000 0.200 52 N C 1.500 177.018 175.510 0.012 0.000 0.989 52 N CA 2.043 55.184 53.050 0.152 0.000 0.907 52 N CB -0.972 37.567 38.487 0.087 0.000 1.048 52 N HN 0.545 nan 8.380 nan 0.000 0.494 53 Q N -0.494 119.318 119.800 0.020 0.000 2.282 53 Q HA 0.093 4.435 4.340 0.004 0.000 0.205 53 Q C 0.705 176.738 176.000 0.056 0.000 0.915 53 Q CA -0.168 55.596 55.803 -0.065 0.000 0.949 53 Q CB -0.071 28.570 28.738 -0.161 0.000 1.035 53 Q HN 0.209 nan 8.270 nan 0.000 0.484 54 F N -0.813 119.043 119.950 -0.157 0.000 2.381 54 F HA 0.114 4.643 4.527 0.004 0.000 0.244 54 F C 1.804 177.477 175.800 -0.211 0.000 1.263 54 F CA 0.188 58.074 58.000 -0.191 0.000 1.004 54 F CB -0.756 38.026 39.000 -0.364 0.000 1.025 54 F HN -0.079 nan 8.300 nan 0.000 0.595 55 V N 1.555 121.142 119.914 -0.546 0.000 2.408 55 V HA -0.530 3.592 4.120 0.004 0.000 0.231 55 V C 2.207 178.170 176.094 -0.218 0.000 1.017 55 V CA 2.676 64.661 62.300 -0.524 0.000 1.102 55 V CB -1.273 30.338 31.823 -0.352 0.000 0.904 55 V HN 0.615 nan 8.190 nan 0.000 0.489 56 D N -2.438 117.908 120.400 -0.091 0.000 2.157 56 D HA -0.174 4.468 4.640 0.004 0.000 0.191 56 D C 1.574 178.049 176.300 0.292 0.000 1.004 56 D CA 2.377 56.417 54.000 0.066 0.000 0.854 56 D CB -0.111 40.704 40.800 0.026 0.000 0.936 56 D HN 0.689 nan 8.370 nan 0.000 0.446 57 Y N -1.381 118.854 120.300 -0.107 0.000 3.213 57 Y HA 0.153 4.705 4.550 0.004 0.000 0.168 57 Y C 2.435 178.276 175.900 -0.097 0.000 0.880 57 Y CA 0.374 58.422 58.100 -0.086 0.000 1.806 57 Y CB -0.890 37.550 38.460 -0.034 0.000 1.369 57 Y HN -0.200 nan 8.280 nan 0.000 0.377 58 T N 2.936 117.587 114.554 0.163 0.000 2.515 58 T HA -0.344 4.008 4.350 0.004 0.000 0.246 58 T C 1.849 176.532 174.700 -0.029 0.000 1.268 58 T CA 2.562 64.734 62.100 0.120 0.000 1.136 58 T CB -1.119 67.944 68.868 0.324 0.000 0.847 58 T HN 0.237 nan 8.240 nan 0.000 0.442 59 L N 1.530 122.553 121.223 -0.334 0.000 1.987 59 L HA -0.273 4.069 4.340 0.004 0.000 0.230 59 L C 2.521 179.210 176.870 -0.301 0.000 1.089 59 L CA 2.689 57.195 54.840 -0.556 0.000 0.802 59 L CB -1.385 40.099 42.059 -0.958 0.000 0.905 59 L HN 0.338 nan 8.230 nan 0.000 0.441 60 Q N -0.331 119.298 119.800 -0.285 0.000 2.268 60 Q HA -0.253 4.089 4.340 0.004 0.000 0.213 60 Q C 1.137 177.048 176.000 -0.149 0.000 0.995 60 Q CA 2.343 58.016 55.803 -0.216 0.000 0.901 60 Q CB -0.653 27.976 28.738 -0.182 0.000 0.921 60 Q HN 0.757 nan 8.270 nan 0.000 0.421 61 D N -1.297 119.046 120.400 -0.094 0.000 2.336 61 D HA 0.085 4.728 4.640 0.004 0.000 0.228 61 D C 0.540 176.831 176.300 -0.014 0.000 1.120 61 D CA 0.030 54.008 54.000 -0.037 0.000 0.839 61 D CB 0.382 41.186 40.800 0.007 0.000 0.932 61 D HN 0.268 nan 8.370 nan 0.000 0.509 62 I N -0.218 120.315 120.570 -0.062 0.000 4.456 62 I HA 0.182 4.354 4.170 0.004 0.000 0.329 62 I C 1.615 177.716 176.117 -0.028 0.000 1.313 62 I CA 0.116 61.421 61.300 0.008 0.000 1.205 62 I CB 0.415 38.432 38.000 0.029 0.000 1.179 62 I HN -0.000 nan 8.210 nan 0.000 0.419 63 I N 0.043 120.492 120.570 -0.203 0.000 3.226 63 I HA -0.038 4.134 4.170 0.004 0.000 0.277 63 I C 0.545 176.710 176.117 0.080 0.000 1.243 63 I CA 0.426 61.523 61.300 -0.338 0.000 1.459 63 I CB 0.550 38.092 38.000 -0.764 0.000 1.093 63 I HN 0.113 nan 8.210 nan 0.000 0.453 64 C N 1.936 121.271 119.300 0.058 0.000 2.369 64 C HA 0.421 4.883 4.460 0.004 0.000 0.358 64 C C 0.740 175.812 174.990 0.138 0.000 1.274 64 C CA -0.124 58.967 59.018 0.122 0.000 1.935 64 C CB -0.093 27.681 27.740 0.058 0.000 2.431 64 C HN 0.602 nan 8.230 nan 0.000 0.545 65 E N 2.025 122.327 120.200 0.170 0.000 0.730 65 E HA -0.084 4.268 4.350 0.004 0.000 0.129 65 E C 0.047 176.728 176.600 0.135 0.000 2.467 65 E CA -0.011 56.467 56.400 0.130 0.000 1.458 65 E CB -0.849 28.927 29.700 0.128 0.000 0.695 65 E HN 0.492 nan 8.360 nan 0.000 0.885 66 D N 1.679 122.156 120.400 0.128 0.000 2.378 66 D HA -0.158 4.484 4.640 0.004 0.000 0.222 66 D C 1.610 178.009 176.300 0.165 0.000 0.980 66 D CA 1.592 55.672 54.000 0.134 0.000 0.907 66 D CB 0.044 40.907 40.800 0.105 0.000 0.899 66 D HN 0.384 nan 8.370 nan 0.000 0.527 67 S N -0.115 115.700 115.700 0.192 0.000 2.565 67 S HA -0.285 4.187 4.470 0.004 0.000 0.310 67 S C 1.110 175.955 174.600 0.409 0.000 1.244 67 S CA 2.016 60.423 58.200 0.345 0.000 1.170 67 S CB -1.585 61.872 63.200 0.428 0.000 1.179 67 S HN 0.402 nan 8.310 nan 0.000 0.441 68 T N 3.226 117.930 114.554 0.250 0.000 2.870 68 T HA 0.464 4.816 4.350 0.004 0.000 0.300 68 T C -0.252 174.489 174.700 0.068 0.000 0.989 68 T CA -0.246 61.933 62.100 0.132 0.000 1.139 68 T CB 0.099 69.021 68.868 0.089 0.000 0.920 68 T HN 0.326 nan 8.240 nan 0.000 0.537 69 L N 6.087 127.254 121.223 -0.093 0.000 2.282 69 L HA 0.468 4.810 4.340 0.004 0.000 0.288 69 L C 0.547 177.253 176.870 -0.273 0.000 1.033 69 L CA -1.067 53.610 54.840 -0.271 0.000 0.807 69 L CB 1.085 42.962 42.059 -0.304 0.000 1.209 69 L HN 0.441 nan 8.230 nan 0.000 0.423 91 S N 4.971 120.365 115.700 -0.510 0.000 2.333 91 S HA 0.603 5.075 4.470 0.004 0.000 0.208 91 S C -0.978 173.666 174.600 0.075 0.000 0.911 91 S CA -0.599 57.481 58.200 -0.199 0.000 1.075 91 S CB 0.037 63.194 63.200 -0.071 0.000 1.293 91 S HN 0.337 nan 8.310 nan 0.000 0.396 92 F N 2.620 122.630 119.950 0.099 0.000 2.234 92 F HA 0.940 5.469 4.527 0.004 0.000 0.292 92 F C 1.669 177.516 175.800 0.079 0.000 1.187 92 F CA 0.484 58.551 58.000 0.113 0.000 1.128 92 F CB 0.105 39.220 39.000 0.191 0.000 1.507 92 F HN 0.894 nan 8.300 nan 0.000 0.512 93 G N -1.475 107.491 108.800 0.278 0.000 2.348 93 G HA2 0.218 4.180 3.960 0.004 0.000 0.296 93 G HA3 0.218 4.180 3.960 0.004 0.000 0.296 93 G C -1.352 173.591 174.900 0.071 0.000 1.258 93 G CA -1.147 44.027 45.100 0.123 0.000 0.868 93 G HN 0.391 nan 8.290 nan 0.000 0.488 94 K N 0.096 120.471 120.400 -0.042 0.000 2.412 94 K HA -0.176 4.146 4.320 0.004 0.000 0.245 94 K C -0.087 176.445 176.600 -0.113 0.000 1.044 94 K CA 0.571 56.722 56.287 -0.227 0.000 1.125 94 K CB -0.229 31.909 32.500 -0.604 0.000 0.719 94 K HN 0.477 nan 8.250 nan 0.000 0.454 95 I N 3.418 123.865 120.570 -0.205 0.000 2.664 95 I HA 0.283 4.455 4.170 0.004 0.000 0.308 95 I C -0.657 175.422 176.117 -0.063 0.000 0.984 95 I CA -0.800 60.444 61.300 -0.093 0.000 1.213 95 I CB 0.787 38.676 38.000 -0.185 0.000 1.379 95 I HN 0.476 nan 8.210 nan 0.000 0.501 96 Y N 3.730 124.045 120.300 0.026 0.000 2.545 96 Y HA 0.598 5.150 4.550 0.004 0.000 0.348 96 Y C -0.848 175.068 175.900 0.027 0.000 1.002 96 Y CA -0.647 57.481 58.100 0.047 0.000 1.039 96 Y CB 2.258 40.790 38.460 0.119 0.000 1.271 96 Y HN 0.138 nan 8.280 nan 0.000 0.467 97 V N 1.144 121.157 119.914 0.166 0.000 2.638 97 V HA 0.485 4.607 4.120 0.004 0.000 0.306 97 V C -0.557 175.563 176.094 0.044 0.000 1.052 97 V CA -1.096 61.233 62.300 0.049 0.000 0.885 97 V CB 1.556 33.333 31.823 -0.077 0.000 0.999 97 V HN 0.819 nan 8.190 nan 0.000 0.424 98 T N 2.029 116.596 114.554 0.022 0.000 2.913 98 T HA 0.399 4.752 4.350 0.004 0.000 0.287 98 T C -0.041 174.599 174.700 -0.101 0.000 1.008 98 T CA -0.876 61.229 62.100 0.007 0.000 1.067 98 T CB 0.936 69.834 68.868 0.049 0.000 0.996 98 T HN 0.554 nan 8.240 nan 0.000 0.513 99 K N 2.418 122.752 120.400 -0.110 0.000 2.448 99 K HA 0.140 4.463 4.320 0.004 0.000 0.278 99 K C -2.451 174.001 176.600 -0.247 0.000 1.009 99 K CA -1.510 54.585 56.287 -0.321 0.000 0.995 99 K CB 0.053 32.494 32.500 -0.097 0.000 0.917 99 K HN 0.369 nan 8.250 nan 0.000 0.481 100 P HA -0.068 nan 4.420 nan 0.000 0.261 100 P C -0.500 176.709 177.300 -0.151 0.000 1.173 100 P CA 0.811 63.684 63.100 -0.378 0.000 0.760 100 P CB 0.464 31.697 31.700 -0.779 0.000 0.783 101 M N 2.082 121.629 119.600 -0.087 0.000 2.555 101 M HA 0.651 5.133 4.480 0.004 0.000 0.265 101 M C -0.825 175.475 176.300 0.001 0.000 1.020 101 M CA -0.812 54.476 55.300 -0.019 0.000 1.162 101 M CB 1.378 33.981 32.600 0.005 0.000 1.557 101 M HN -0.067 nan 8.290 nan 0.000 0.643 102 V N 0.294 120.229 119.914 0.035 0.000 2.901 102 V HA 0.285 4.407 4.120 0.004 0.000 0.257 102 V C -1.930 174.204 176.094 0.067 0.000 1.709 102 V CA -0.979 61.357 62.300 0.060 0.000 0.926 102 V CB 1.636 33.512 31.823 0.087 0.000 1.291 102 V HN 0.793 nan 8.190 nan 0.000 0.460 103 N N 2.872 121.610 118.700 0.063 0.000 2.518 103 N HA 0.461 5.203 4.740 0.004 0.000 0.254 103 N C -0.612 174.929 175.510 0.051 0.000 0.979 103 N CA -0.506 52.577 53.050 0.056 0.000 0.930 103 N CB 1.308 39.825 38.487 0.049 0.000 1.152 103 N HN 0.736 nan 8.380 nan 0.000 0.505 104 E N 0.986 121.219 120.200 0.056 0.000 2.289 104 E HA 0.108 4.460 4.350 0.004 0.000 0.278 104 E C 0.131 176.750 176.600 0.033 0.000 1.032 104 E CA -0.357 56.068 56.400 0.042 0.000 0.854 104 E CB 0.477 30.202 29.700 0.043 0.000 1.046 104 E HN 0.632 nan 8.360 nan 0.000 0.409 105 S N 2.361 118.076 115.700 0.024 0.000 2.691 105 S HA -0.210 4.262 4.470 0.004 0.000 0.320 105 S C 0.316 174.933 174.600 0.027 0.000 1.241 105 S CA 0.482 58.696 58.200 0.024 0.000 1.028 105 S CB 0.003 63.213 63.200 0.018 0.000 0.726 105 S HN 0.715 nan 8.310 nan 0.000 0.488 106 D N 0.638 121.054 120.400 0.027 0.000 2.990 106 D HA 0.080 4.722 4.640 0.004 0.000 0.245 106 D C 0.012 176.330 176.300 0.030 0.000 1.120 106 D CA 2.123 56.139 54.000 0.027 0.000 0.838 106 D CB -1.270 39.546 40.800 0.026 0.000 1.000 106 D HN 1.376 nan 8.370 nan 0.000 0.420 107 G N -1.360 107.458 108.800 0.030 0.000 2.325 107 G HA2 0.419 4.381 3.960 0.004 0.000 0.297 107 G HA3 0.419 4.381 3.960 0.004 0.000 0.297 107 G C -0.201 174.720 174.900 0.035 0.000 1.448 107 G CA -0.333 44.789 45.100 0.037 0.000 0.838 107 G HN 0.488 nan 8.290 nan 0.000 0.579 108 V N -0.499 119.441 119.914 0.042 0.000 3.843 108 V HA 0.437 4.559 4.120 0.004 0.000 0.289 108 V C 1.173 177.288 176.094 0.035 0.000 1.065 108 V CA 0.234 62.555 62.300 0.035 0.000 1.079 108 V CB 1.252 33.105 31.823 0.049 0.000 1.192 108 V HN 0.798 nan 8.190 nan 0.000 0.464 109 T N 0.018 114.577 114.554 0.010 0.000 2.758 109 T HA 0.351 4.703 4.350 0.004 0.000 0.285 109 T C -0.445 174.216 174.700 -0.066 0.000 0.981 109 T CA -0.091 62.011 62.100 0.002 0.000 0.965 109 T CB 0.024 68.896 68.868 0.007 0.000 0.927 109 T HN 0.742 nan 8.240 nan 0.000 0.448 110 H N 2.450 121.550 119.070 0.050 0.000 2.607 110 H HA 0.583 5.141 4.556 0.004 0.000 0.367 110 H C 0.349 175.714 175.328 0.062 0.000 1.181 110 H CA -0.135 55.949 56.048 0.059 0.000 1.402 110 H CB 0.649 30.453 29.762 0.069 0.000 1.474 110 H HN 0.731 nan 8.280 nan 0.000 0.596 111 A N 3.791 126.030 122.820 -0.969 0.000 2.491 111 A HA 0.273 4.596 4.320 0.004 0.000 0.261 111 A C -0.654 176.915 177.584 -0.025 0.000 1.101 111 A CA -0.322 51.562 52.037 -0.256 0.000 0.772 111 A CB -0.474 18.463 19.000 -0.106 0.000 1.043 111 A HN 0.545 nan 8.150 nan 0.000 0.501 112 L N 3.365 124.602 121.223 0.024 0.000 2.312 112 L HA 0.488 4.830 4.340 0.004 0.000 0.281 112 L C -0.967 175.985 176.870 0.136 0.000 1.070 112 L CA -0.134 54.776 54.840 0.118 0.000 0.805 112 L CB 0.507 42.645 42.059 0.132 0.000 1.174 112 L HN 0.592 nan 8.230 nan 0.000 0.434 113 Y N 7.347 127.878 120.300 0.384 0.000 2.356 113 Y HA 0.323 4.875 4.550 0.003 0.000 0.334 113 Y C -1.375 174.663 175.900 0.231 0.000 0.958 113 Y CA -1.456 56.845 58.100 0.335 0.000 1.196 113 Y CB 1.235 39.795 38.460 0.168 0.000 1.137 113 Y HN 0.617 nan 8.280 nan 0.000 0.485 114 P HA -0.376 nan 4.420 nan 0.000 0.216 114 P C 1.339 178.692 177.300 0.088 0.000 1.151 114 P CA 1.803 64.870 63.100 -0.055 0.000 0.953 114 P CB 0.460 31.961 31.700 -0.331 0.000 0.789 115 Q N 0.333 120.199 119.800 0.111 0.000 2.012 115 Q HA -0.255 4.088 4.340 0.004 0.000 0.211 115 Q C 2.327 178.403 176.000 0.126 0.000 1.009 115 Q CA 2.579 58.443 55.803 0.102 0.000 0.866 115 Q CB -1.224 27.559 28.738 0.074 0.000 0.945 115 Q HN 0.275 nan 8.270 nan 0.000 0.414 116 E N -1.442 118.853 120.200 0.158 0.000 2.271 116 E HA -0.328 4.024 4.350 0.004 0.000 0.209 116 E C 1.386 178.071 176.600 0.142 0.000 1.046 116 E CA 1.595 58.085 56.400 0.150 0.000 0.840 116 E CB -0.343 29.477 29.700 0.199 0.000 0.738 116 E HN 0.489 nan 8.360 nan 0.000 0.470 117 A N -0.109 122.805 122.820 0.157 0.000 1.997 117 A HA 0.063 4.385 4.320 0.004 0.000 0.212 117 A C 1.958 179.621 177.584 0.132 0.000 1.178 117 A CA 0.479 52.604 52.037 0.146 0.000 0.698 117 A CB -0.074 19.036 19.000 0.183 0.000 0.842 117 A HN 0.103 nan 8.150 nan 0.000 0.458 118 R N -0.659 119.919 120.500 0.129 0.000 2.139 118 R HA -0.146 4.197 4.340 0.004 0.000 0.243 118 R C 1.472 177.851 176.300 0.133 0.000 1.145 118 R CA 1.568 57.742 56.100 0.124 0.000 0.976 118 R CB -0.384 29.983 30.300 0.111 0.000 0.866 118 R HN 0.466 nan 8.270 nan 0.000 0.449 119 L N -0.273 121.029 121.223 0.133 0.000 2.298 119 L HA -0.002 4.340 4.340 0.004 0.000 0.209 119 L C 1.683 178.685 176.870 0.219 0.000 1.084 119 L CA 1.096 56.031 54.840 0.159 0.000 0.816 119 L CB 0.062 42.201 42.059 0.134 0.000 0.967 119 L HN 0.064 nan 8.230 nan 0.000 0.460 120 R N -0.763 119.820 120.500 0.137 0.000 2.546 120 R HA 0.326 4.669 4.340 0.004 0.000 0.320 120 R C -0.051 176.182 176.300 -0.112 0.000 1.021 120 R CA -0.088 56.027 56.100 0.025 0.000 1.088 120 R CB -0.399 29.852 30.300 -0.080 0.000 1.278 120 R HN 0.210 nan 8.270 nan 0.000 0.557 121 N N 0.752 119.488 118.700 0.060 0.000 2.882 121 N HA -0.124 4.618 4.740 0.004 0.000 0.249 121 N C -0.582 174.945 175.510 0.029 0.000 1.079 121 N CA 0.291 53.381 53.050 0.067 0.000 0.800 121 N CB -1.010 37.567 38.487 0.150 0.000 1.124 121 N HN 0.244 nan 8.380 nan 0.000 0.557 122 L N 0.476 121.718 121.223 0.031 0.000 2.439 122 L HA 0.416 4.758 4.340 0.004 0.000 0.259 122 L C 0.891 177.824 176.870 0.104 0.000 1.129 122 L CA -0.263 54.608 54.840 0.052 0.000 0.803 122 L CB 0.860 42.953 42.059 0.057 0.000 1.161 122 L HN -0.109 nan 8.230 nan 0.000 0.462 123 T N 0.190 114.806 114.554 0.104 0.000 2.832 123 T HA 0.141 4.493 4.350 0.004 0.000 0.313 123 T C -0.318 174.482 174.700 0.167 0.000 1.035 123 T CA -0.178 62.001 62.100 0.132 0.000 0.950 123 T CB -0.377 68.548 68.868 0.094 0.000 0.984 123 T HN 0.271 nan 8.240 nan 0.000 0.486 124 Y N 4.848 125.191 120.300 0.073 0.000 2.691 124 Y HA 0.217 4.769 4.550 0.004 0.000 0.359 124 Y C 0.705 176.636 175.900 0.050 0.000 1.292 124 Y CA 0.145 58.279 58.100 0.055 0.000 1.822 124 Y CB -0.647 37.846 38.460 0.056 0.000 1.481 124 Y HN 0.618 nan 8.280 nan 0.000 0.461 125 S N 2.705 118.347 115.700 -0.097 0.000 2.570 125 S HA 0.777 5.250 4.470 0.004 0.000 0.270 125 S C -0.720 173.767 174.600 -0.190 0.000 1.149 125 S CA -0.387 57.735 58.200 -0.130 0.000 0.837 125 S CB 1.392 64.567 63.200 -0.043 0.000 1.124 125 S HN 0.690 nan 8.310 nan 0.000 0.465 126 S N 1.009 116.595 115.700 -0.190 0.000 2.677 126 S HA 0.889 5.361 4.470 0.004 0.000 0.304 126 S C 0.208 174.691 174.600 -0.195 0.000 1.108 126 S CA -0.449 57.634 58.200 -0.194 0.000 0.944 126 S CB 1.128 64.176 63.200 -0.252 0.000 1.127 126 S HN 1.629 nan 8.310 nan 0.000 0.511 127 G N 0.462 109.159 108.800 -0.172 0.000 2.348 127 G HA2 0.558 4.520 3.960 0.004 0.000 0.312 127 G HA3 0.558 4.520 3.960 0.004 0.000 0.312 127 G C -1.256 173.367 174.900 -0.461 0.000 1.126 127 G CA -0.586 44.339 45.100 -0.291 0.000 0.865 127 G HN 0.582 nan 8.290 nan 0.000 0.474 128 L N 2.681 123.433 121.223 -0.785 0.000 2.288 128 L HA 0.498 4.841 4.340 0.004 0.000 0.283 128 L C -0.885 175.571 176.870 -0.691 0.000 1.072 128 L CA -0.468 53.956 54.840 -0.693 0.000 0.862 128 L CB -0.540 41.126 42.059 -0.655 0.000 1.245 128 L HN 0.373 nan 8.230 nan 0.000 0.432 129 F N 2.806 122.781 119.950 0.040 0.000 2.520 129 F HA 0.633 5.162 4.527 0.004 0.000 0.322 129 F C 0.051 175.953 175.800 0.170 0.000 1.103 129 F CA -0.972 57.113 58.000 0.142 0.000 0.926 129 F CB 2.098 41.187 39.000 0.149 0.000 1.154 129 F HN -0.013 nan 8.300 nan 0.000 0.453 130 V N 2.160 122.316 119.914 0.403 0.000 2.960 130 V HA 0.357 4.480 4.120 0.004 0.000 0.315 130 V C -0.969 175.341 176.094 0.359 0.000 1.087 130 V CA -0.525 61.956 62.300 0.302 0.000 0.982 130 V CB 2.295 34.276 31.823 0.264 0.000 1.039 130 V HN 0.824 nan 8.190 nan 0.000 0.437 131 D N 2.744 123.344 120.400 0.333 0.000 2.879 131 D HA 0.116 4.759 4.640 0.004 0.000 0.351 131 D C -0.462 175.976 176.300 0.231 0.000 1.239 131 D CA -0.206 53.957 54.000 0.273 0.000 0.771 131 D CB 1.205 42.238 40.800 0.388 0.000 1.176 131 D HN 0.276 nan 8.370 nan 0.000 0.496 132 V N 3.398 123.477 119.914 0.274 0.000 2.628 132 V HA -0.196 3.926 4.120 0.004 0.000 0.282 132 V C 0.975 177.074 176.094 0.008 0.000 0.968 132 V CA 0.892 63.302 62.300 0.183 0.000 1.171 132 V CB -0.891 31.025 31.823 0.155 0.000 0.899 132 V HN 0.264 nan 8.190 nan 0.000 0.462 133 K N 5.450 125.826 120.400 -0.040 0.000 2.386 133 K HA 0.463 4.785 4.320 0.004 0.000 0.249 133 K C 0.267 176.808 176.600 -0.098 0.000 1.055 133 K CA -0.809 55.445 56.287 -0.054 0.000 0.930 133 K CB 0.710 33.203 32.500 -0.012 0.000 1.230 133 K HN 0.457 nan 8.250 nan 0.000 0.507 165 V N 3.246 123.243 119.914 0.139 0.000 2.680 165 V HA 0.561 4.684 4.120 0.004 0.000 0.309 165 V C -0.721 175.749 176.094 0.627 0.000 1.052 165 V CA -0.849 61.626 62.300 0.291 0.000 0.908 165 V CB 1.782 33.759 31.823 0.257 0.000 1.001 165 V HN 0.245 nan 8.190 nan 0.000 0.431 166 F N 5.678 125.942 119.950 0.524 0.000 2.532 166 F HA 0.825 5.354 4.527 0.003 0.000 0.321 166 F C -1.455 174.450 175.800 0.174 0.000 1.089 166 F CA -1.011 57.201 58.000 0.353 0.000 0.926 166 F CB 1.665 40.806 39.000 0.235 0.000 1.168 166 F HN 0.266 nan 8.300 nan 0.000 0.459 167 I N 4.417 125.109 120.570 0.202 0.000 2.571 167 I HA 0.335 4.507 4.170 0.004 0.000 0.289 167 I C 0.814 176.486 176.117 -0.741 0.000 1.115 167 I CA -0.438 60.820 61.300 -0.070 0.000 1.045 167 I CB 0.662 38.642 38.000 -0.033 0.000 1.238 167 I HN 0.960 nan 8.210 nan 0.000 0.424 168 G N 6.996 115.321 108.800 -0.791 0.000 2.401 168 G HA2 -0.245 3.718 3.960 0.004 0.000 0.999 168 G HA3 -0.245 3.718 3.960 0.004 0.000 0.999 168 G C 0.090 174.534 174.900 -0.760 0.000 1.418 168 G CA 0.168 44.769 45.100 -0.831 0.000 0.862 168 G HN 0.724 nan 8.290 nan 0.000 0.496 169 R N -2.232 118.030 120.500 -0.397 0.000 2.764 169 R HA 0.660 5.003 4.340 0.004 0.000 0.270 169 R C -1.484 174.685 176.300 -0.218 0.000 1.014 169 R CA -0.955 54.972 56.100 -0.288 0.000 0.904 169 R CB 1.890 32.083 30.300 -0.178 0.000 1.236 169 R HN 0.605 nan 8.270 nan 0.000 0.466 170 L N 2.677 123.782 121.223 -0.197 0.000 2.563 170 L HA 0.377 4.719 4.340 0.004 0.000 0.259 170 L C -2.570 174.247 176.870 -0.089 0.000 1.034 170 L CA -1.589 53.147 54.840 -0.173 0.000 0.899 170 L CB 1.623 43.516 42.059 -0.278 0.000 1.159 170 L HN 0.439 nan 8.230 nan 0.000 0.456 171 P HA -0.161 nan 4.420 nan 0.000 0.261 171 P C -0.583 176.806 177.300 0.148 0.000 1.133 171 P CA 0.590 63.663 63.100 -0.045 0.000 0.756 171 P CB 0.385 31.963 31.700 -0.203 0.000 0.726 172 I N 4.808 125.602 120.570 0.374 0.000 2.377 172 I HA 0.295 4.467 4.170 0.004 0.000 0.293 172 I C 0.931 177.302 176.117 0.423 0.000 0.987 172 I CA -1.051 60.551 61.300 0.503 0.000 1.185 172 I CB 1.420 39.528 38.000 0.179 0.000 1.341 172 I HN 0.400 nan 8.210 nan 0.000 0.455 173 M N 6.934 126.485 119.600 -0.081 0.000 2.156 173 M HA 0.163 4.645 4.480 0.004 0.000 0.345 173 M C -0.945 175.043 176.300 -0.521 0.000 1.398 173 M CA -0.750 54.029 55.300 -0.869 0.000 1.148 173 M CB 0.419 32.006 32.600 -1.688 0.000 1.663 173 M HN 0.269 nan 8.290 nan 0.000 0.464 174 L N 6.369 127.233 121.223 -0.598 0.000 2.500 174 L HA 0.106 4.448 4.340 0.004 0.000 0.272 174 L C 0.791 177.410 176.870 -0.418 0.000 1.149 174 L CA 1.305 55.841 54.840 -0.507 0.000 0.897 174 L CB -0.275 41.263 42.059 -0.868 0.000 1.178 174 L HN 0.987 nan 8.230 nan 0.000 0.473 175 R N 0.781 121.143 120.500 -0.229 0.000 3.309 175 R HA -0.118 4.224 4.340 0.004 0.000 0.492 175 R C 0.076 176.317 176.300 -0.098 0.000 0.869 175 R CA 0.794 56.810 56.100 -0.140 0.000 1.193 175 R CB -1.496 28.713 30.300 -0.152 0.000 1.939 175 R HN 0.794 nan 8.270 nan 0.000 0.473 176 S N -0.436 115.204 115.700 -0.100 0.000 2.661 176 S HA 0.246 4.719 4.470 0.004 0.000 0.265 176 S C 1.128 175.756 174.600 0.046 0.000 1.225 176 S CA -0.563 57.639 58.200 0.003 0.000 0.986 176 S CB 1.003 64.293 63.200 0.150 0.000 1.008 176 S HN 0.257 nan 8.310 nan 0.000 0.565 177 K N 0.631 121.086 120.400 0.092 0.000 2.173 177 K HA -0.202 4.120 4.320 0.004 0.000 0.207 177 K C 1.344 177.970 176.600 0.045 0.000 1.046 177 K CA 2.055 58.384 56.287 0.070 0.000 0.929 177 K CB -0.282 32.262 32.500 0.073 0.000 0.720 177 K HN 0.517 nan 8.250 nan 0.000 0.453 178 N N -0.241 118.488 118.700 0.048 0.000 2.322 178 N HA -0.041 4.701 4.740 0.004 0.000 0.186 178 N C -0.010 175.412 175.510 -0.146 0.000 1.037 178 N CA 0.319 53.332 53.050 -0.062 0.000 0.869 178 N CB -0.560 37.863 38.487 -0.106 0.000 1.036 178 N HN 0.087 nan 8.380 nan 0.000 0.439 179 C N 3.067 122.326 119.300 -0.069 0.000 0.986 179 C HA -0.191 4.271 4.460 0.004 0.000 0.516 179 C C 1.111 176.130 174.990 0.047 0.000 1.308 179 C CA -0.181 58.873 59.018 0.061 0.000 1.877 179 C CB -2.176 25.619 27.740 0.091 0.000 3.376 179 C HN 0.482 nan 8.230 nan 0.000 0.586 180 Y N 2.963 123.362 120.300 0.165 0.000 2.694 180 Y HA -0.174 4.378 4.550 0.003 0.000 0.279 180 Y C 1.799 177.774 175.900 0.125 0.000 1.166 180 Y CA 0.883 59.062 58.100 0.131 0.000 1.480 180 Y CB -0.535 38.024 38.460 0.165 0.000 0.956 180 Y HN 0.669 nan 8.280 nan 0.000 0.595 181 L N -0.402 120.948 121.223 0.212 0.000 2.612 181 L HA -0.004 4.338 4.340 0.004 0.000 0.230 181 L C 1.736 178.647 176.870 0.069 0.000 1.140 181 L CA 0.296 55.212 54.840 0.127 0.000 0.896 181 L CB -0.296 41.794 42.059 0.052 0.000 1.065 181 L HN 0.157 nan 8.230 nan 0.000 0.447 182 S N -0.939 114.805 115.700 0.073 0.000 2.607 182 S HA -0.010 4.462 4.470 0.004 0.000 0.224 182 S C 1.069 175.698 174.600 0.049 0.000 0.969 182 S CA 0.469 58.694 58.200 0.042 0.000 0.927 182 S CB -0.036 63.187 63.200 0.039 0.000 0.772 182 S HN 0.512 nan 8.310 nan 0.000 0.533 183 E N 0.909 121.152 120.200 0.071 0.000 2.603 183 E HA 0.444 4.796 4.350 0.004 0.000 0.218 183 E C 0.451 177.080 176.600 0.049 0.000 0.878 183 E CA 0.283 56.717 56.400 0.057 0.000 1.348 183 E CB -0.180 29.560 29.700 0.066 0.000 1.318 183 E HN 0.406 nan 8.360 nan 0.000 0.673 184 A N 2.472 125.329 122.820 0.062 0.000 2.602 184 A HA 0.015 4.337 4.320 0.004 0.000 0.257 184 A C 0.949 178.541 177.584 0.013 0.000 0.973 184 A CA 1.195 53.258 52.037 0.044 0.000 0.862 184 A CB -0.646 18.381 19.000 0.044 0.000 0.855 184 A HN 0.267 nan 8.150 nan 0.000 0.492 185 T N 0.535 115.096 114.554 0.011 0.000 2.680 185 T HA 0.090 4.442 4.350 0.004 0.000 0.314 185 T C 1.024 175.715 174.700 -0.015 0.000 1.045 185 T CA 0.896 62.997 62.100 0.002 0.000 1.025 185 T CB 0.522 69.397 68.868 0.013 0.000 1.000 185 T HN 0.731 nan 8.240 nan 0.000 0.535 186 E N -0.152 120.043 120.200 -0.009 0.000 2.107 186 E HA -0.096 4.257 4.350 0.004 0.000 0.191 186 E C 2.320 178.946 176.600 0.044 0.000 0.982 186 E CA 1.210 57.591 56.400 -0.032 0.000 0.809 186 E CB -0.233 29.484 29.700 0.028 0.000 0.756 186 E HN 0.794 nan 8.360 nan 0.000 0.459 187 S N 0.421 116.176 115.700 0.092 0.000 2.387 187 S HA -0.148 4.324 4.470 0.004 0.000 0.226 187 S C 1.380 176.048 174.600 0.114 0.000 1.026 187 S CA 1.402 59.696 58.200 0.157 0.000 0.972 187 S CB -0.251 63.001 63.200 0.087 0.000 0.814 187 S HN 0.169 nan 8.310 nan 0.000 0.477 188 D N 1.422 121.850 120.400 0.046 0.000 2.228 188 D HA -0.039 4.604 4.640 0.004 0.000 0.203 188 D C 1.700 177.999 176.300 -0.001 0.000 0.988 188 D CA 0.995 55.005 54.000 0.016 0.000 0.864 188 D CB -0.298 40.509 40.800 0.011 0.000 0.928 188 D HN 0.390 nan 8.370 nan 0.000 0.469 189 L N -1.022 120.179 121.223 -0.037 0.000 2.095 189 L HA -0.090 4.252 4.340 0.004 0.000 0.204 189 L C 1.840 178.674 176.870 -0.061 0.000 1.080 189 L CA 0.818 55.599 54.840 -0.098 0.000 0.759 189 L CB -0.343 41.562 42.059 -0.257 0.000 0.914 189 L HN 0.086 nan 8.230 nan 0.000 0.439 190 Y N 0.168 120.438 120.300 -0.050 0.000 2.315 190 Y HA -0.279 4.273 4.550 0.003 0.000 0.288 190 Y C 2.502 178.367 175.900 -0.058 0.000 1.154 190 Y CA 1.246 59.313 58.100 -0.056 0.000 1.229 190 Y CB -0.309 38.113 38.460 -0.064 0.000 0.980 190 Y HN 0.080 nan 8.280 nan 0.000 0.540 191 K N 0.397 120.858 120.400 0.102 0.000 2.002 191 K HA -0.150 4.172 4.320 0.004 0.000 0.209 191 K C 1.451 178.036 176.600 -0.025 0.000 1.048 191 K CA 1.656 57.958 56.287 0.025 0.000 0.930 191 K CB -0.468 32.026 32.500 -0.010 0.000 0.714 191 K HN 0.342 nan 8.250 nan 0.000 0.438 192 L N 0.658 121.848 121.223 -0.055 0.000 2.693 192 L HA 0.112 4.454 4.340 0.004 0.000 0.242 192 L C -0.259 176.588 176.870 -0.037 0.000 1.157 192 L CA 0.195 54.979 54.840 -0.094 0.000 0.929 192 L CB -0.725 41.263 42.059 -0.118 0.000 1.103 192 L HN 0.130 nan 8.230 nan 0.000 0.430 193 K N 0.679 121.070 120.400 -0.015 0.000 3.239 193 K HA -0.126 4.196 4.320 0.004 0.000 0.270 193 K C -0.263 176.333 176.600 -0.007 0.000 1.083 193 K CA 0.518 56.806 56.287 0.003 0.000 0.782 193 K CB -1.017 31.484 32.500 0.003 0.000 1.290 193 K HN 0.383 nan 8.250 nan 0.000 0.474 194 E N 0.753 120.927 120.200 -0.043 0.000 2.224 194 E HA 0.155 4.507 4.350 0.004 0.000 0.265 194 E C -0.511 176.021 176.600 -0.113 0.000 0.878 194 E CA -0.585 55.789 56.400 -0.043 0.000 0.759 194 E CB 1.777 31.467 29.700 -0.016 0.000 1.164 194 E HN 0.335 nan 8.360 nan 0.000 0.414 195 C N 5.962 125.229 119.300 -0.055 0.000 2.563 195 C HA 0.079 4.541 4.460 0.004 0.000 0.411 195 C C -1.051 173.875 174.990 -0.108 0.000 1.386 195 C CA -0.865 58.111 59.018 -0.071 0.000 1.703 195 C CB 0.085 27.867 27.740 0.070 0.000 2.596 195 C HN 0.565 nan 8.230 nan 0.000 0.605 196 P HA 0.095 nan 4.420 nan 0.000 0.257 196 P C 0.726 177.906 177.300 -0.200 0.000 1.241 196 P CA 0.860 63.782 63.100 -0.297 0.000 0.816 196 P CB 0.066 31.440 31.700 -0.543 0.000 1.150 197 F N 0.373 120.269 119.950 -0.091 0.000 2.765 197 F HA 0.137 4.666 4.527 0.004 0.000 0.302 197 F C 1.075 176.955 175.800 0.134 0.000 1.111 197 F CA -0.346 57.641 58.000 -0.022 0.000 1.359 197 F CB -0.061 38.847 39.000 -0.154 0.000 1.097 197 F HN -0.120 nan 8.300 nan 0.000 0.577 198 D N 0.820 121.383 120.400 0.272 0.000 2.372 198 D HA 0.059 4.702 4.640 0.004 0.000 0.243 198 D C 0.923 177.334 176.300 0.185 0.000 1.121 198 D CA 0.116 54.268 54.000 0.254 0.000 0.898 198 D CB 0.745 41.664 40.800 0.198 0.000 1.202 198 D HN 0.048 nan 8.370 nan 0.000 0.428 199 M N 1.244 120.951 119.600 0.177 0.000 2.289 199 M HA 0.324 4.807 4.480 0.004 0.000 0.335 199 M C 0.505 176.844 176.300 0.065 0.000 0.961 199 M CA 0.010 55.365 55.300 0.093 0.000 1.018 199 M CB -0.601 32.037 32.600 0.064 0.000 1.678 199 M HN 0.403 nan 8.290 nan 0.000 0.589 200 G N 1.257 110.163 108.800 0.175 0.000 3.556 200 G HA2 0.048 4.010 3.960 0.004 0.000 0.507 200 G HA3 0.048 4.010 3.960 0.004 0.000 0.507 200 G C 0.401 175.300 174.900 -0.001 0.000 0.819 200 G CA 0.225 45.345 45.100 0.034 0.000 1.238 200 G HN 1.353 nan 8.290 nan 0.000 0.566 201 G N 1.388 110.244 108.800 0.092 0.000 4.657 201 G HA2 0.575 4.537 3.960 0.004 0.000 0.213 201 G HA3 0.575 4.537 3.960 0.004 0.000 0.213 201 G C -0.017 174.719 174.900 -0.273 0.000 0.912 201 G CA 0.473 45.470 45.100 -0.171 0.000 0.815 201 G HN 1.706 nan 8.290 nan 0.000 0.384 202 Y N -1.233 118.775 120.300 -0.486 0.000 2.602 202 Y HA 0.852 5.405 4.550 0.004 0.000 0.330 202 Y C -0.114 175.306 175.900 -0.800 0.000 1.114 202 Y CA -2.047 55.711 58.100 -0.570 0.000 1.182 202 Y CB 1.054 39.344 38.460 -0.283 0.000 1.305 202 Y HN -0.117 nan 8.280 nan 0.000 0.502 203 F N 0.621 120.645 119.950 0.124 0.000 2.291 203 F HA 0.630 5.159 4.527 0.003 0.000 0.305 203 F C -0.580 175.322 175.800 0.171 0.000 1.171 203 F CA -0.729 57.312 58.000 0.068 0.000 1.090 203 F CB 0.909 39.956 39.000 0.078 0.000 1.436 203 F HN 0.250 nan 8.300 nan 0.000 0.509 204 I N 2.113 122.898 120.570 0.359 0.000 2.651 204 I HA 0.287 4.459 4.170 0.004 0.000 0.287 204 I C -1.516 174.752 176.117 0.251 0.000 1.244 204 I CA -0.065 61.388 61.300 0.256 0.000 1.061 204 I CB 1.783 39.896 38.000 0.188 0.000 1.286 204 I HN 0.206 nan 8.210 nan 0.000 0.434 205 I N 7.098 127.788 120.570 0.200 0.000 2.529 205 I HA 0.327 4.500 4.170 0.004 0.000 0.284 205 I C 0.032 176.227 176.117 0.130 0.000 1.088 205 I CA -0.413 60.981 61.300 0.156 0.000 1.062 205 I CB 1.647 39.736 38.000 0.150 0.000 1.218 205 I HN 0.792 nan 8.210 nan 0.000 0.442 206 N N 4.814 123.583 118.700 0.115 0.000 2.678 206 N HA -0.253 4.489 4.740 0.004 0.000 0.250 206 N C 0.973 176.557 175.510 0.123 0.000 1.136 206 N CA 1.144 54.259 53.050 0.108 0.000 0.757 206 N CB -1.345 37.202 38.487 0.100 0.000 1.135 206 N HN 1.116 nan 8.380 nan 0.000 0.565 207 G N -1.337 107.540 108.800 0.128 0.000 2.179 207 G HA2 -0.225 3.737 3.960 0.004 0.000 0.220 207 G HA3 -0.225 3.737 3.960 0.004 0.000 0.220 207 G C -0.126 174.844 174.900 0.117 0.000 0.990 207 G CA 0.470 45.649 45.100 0.130 0.000 0.646 207 G HN 1.386 nan 8.290 nan 0.000 0.517 208 S N 0.155 115.924 115.700 0.116 0.000 2.433 208 S HA 0.639 5.111 4.470 0.004 0.000 0.310 208 S C -0.121 174.553 174.600 0.122 0.000 1.097 208 S CA -0.516 57.741 58.200 0.095 0.000 1.103 208 S CB 1.899 65.145 63.200 0.076 0.000 0.992 208 S HN 0.304 nan 8.310 nan 0.000 0.469 209 E N 3.267 123.519 120.200 0.087 0.000 2.406 209 E HA 0.113 4.465 4.350 0.004 0.000 0.258 209 E C -0.099 176.577 176.600 0.125 0.000 1.043 209 E CA 0.185 56.652 56.400 0.112 0.000 0.929 209 E CB 0.430 30.086 29.700 -0.073 0.000 0.969 209 E HN 0.489 nan 8.360 nan 0.000 0.462 210 K N 1.582 122.116 120.400 0.224 0.000 2.340 210 K HA 0.519 4.842 4.320 0.004 0.000 0.244 210 K C -0.599 176.089 176.600 0.147 0.000 0.973 210 K CA -0.967 55.415 56.287 0.157 0.000 0.828 210 K CB 1.891 34.499 32.500 0.180 0.000 1.226 210 K HN 0.154 nan 8.250 nan 0.000 0.437 211 V N 1.418 121.360 119.914 0.046 0.000 2.581 211 V HA 0.444 4.566 4.120 0.004 0.000 0.303 211 V C 0.026 176.084 176.094 -0.060 0.000 1.041 211 V CA -1.071 61.195 62.300 -0.058 0.000 0.907 211 V CB 1.546 33.236 31.823 -0.222 0.000 0.994 211 V HN 0.528 nan 8.190 nan 0.000 0.442 212 L N 4.973 126.148 121.223 -0.080 0.000 2.257 212 L HA 0.441 4.783 4.340 0.004 0.000 0.290 212 L C -0.488 176.278 176.870 -0.174 0.000 1.044 212 L CA -0.375 54.398 54.840 -0.113 0.000 0.810 212 L CB 1.055 43.080 42.059 -0.057 0.000 1.193 212 L HN 0.453 nan 8.230 nan 0.000 0.425 213 I N 4.031 124.487 120.570 -0.190 0.000 2.337 213 I HA 0.192 4.365 4.170 0.004 0.000 0.291 213 I C 1.010 177.032 176.117 -0.160 0.000 1.046 213 I CA -0.335 60.861 61.300 -0.174 0.000 1.324 213 I CB 0.890 38.811 38.000 -0.132 0.000 1.409 213 I HN 0.645 nan 8.210 nan 0.000 0.494 214 A N 8.211 130.952 122.820 -0.132 0.000 2.641 214 A HA -0.063 4.259 4.320 0.004 0.000 0.228 214 A C 0.382 177.912 177.584 -0.090 0.000 1.049 214 A CA 0.594 52.570 52.037 -0.102 0.000 0.779 214 A CB 0.061 19.018 19.000 -0.072 0.000 0.947 214 A HN 0.749 nan 8.150 nan 0.000 0.498 215 Q N 0.308 120.060 119.800 -0.080 0.000 2.423 215 Q HA 0.502 4.844 4.340 0.004 0.000 0.278 215 Q C -0.858 175.121 176.000 -0.035 0.000 1.097 215 Q CA -0.606 55.163 55.803 -0.057 0.000 0.809 215 Q CB 2.476 31.173 28.738 -0.068 0.000 1.391 215 Q HN 0.873 nan 8.270 nan 0.000 0.428 216 E N 1.619 121.813 120.200 -0.010 0.000 2.171 216 E HA 0.502 4.855 4.350 0.004 0.000 0.271 216 E C -0.992 175.612 176.600 0.006 0.000 0.916 216 E CA -0.347 56.054 56.400 0.003 0.000 0.774 216 E CB 1.284 31.015 29.700 0.051 0.000 1.128 216 E HN 0.607 nan 8.360 nan 0.000 0.403 217 R N 1.024 121.516 120.500 -0.012 0.000 2.810 217 R HA 0.484 4.826 4.340 0.004 0.000 0.266 217 R C -1.291 175.000 176.300 -0.016 0.000 1.061 217 R CA -0.886 55.212 56.100 -0.003 0.000 0.943 217 R CB 1.144 31.442 30.300 -0.003 0.000 1.237 217 R HN 0.246 nan 8.270 nan 0.000 0.459 218 S N -0.166 115.534 115.700 0.001 0.000 2.513 218 S HA 0.629 5.101 4.470 0.004 0.000 0.276 218 S C -0.041 174.546 174.600 -0.021 0.000 1.254 218 S CA -0.091 58.110 58.200 0.002 0.000 1.053 218 S CB 0.667 63.887 63.200 0.034 0.000 0.958 218 S HN 0.696 nan 8.310 nan 0.000 0.491 219 A N 3.746 126.536 122.820 -0.051 0.000 2.346 219 A HA 0.650 4.972 4.320 0.004 0.000 0.255 219 A C 0.770 178.331 177.584 -0.038 0.000 1.113 219 A CA 0.065 52.062 52.037 -0.067 0.000 0.798 219 A CB -0.339 18.580 19.000 -0.135 0.000 1.073 219 A HN 0.918 nan 8.150 nan 0.000 0.502 220 G N -1.741 107.034 108.800 -0.041 0.000 2.509 220 G HA2 0.470 4.432 3.960 0.004 0.000 0.328 220 G HA3 0.470 4.432 3.960 0.004 0.000 0.328 220 G C -0.315 174.559 174.900 -0.043 0.000 1.194 220 G CA -0.260 44.816 45.100 -0.040 0.000 0.967 220 G HN 1.005 nan 8.290 nan 0.000 0.488 221 N N -1.702 116.944 118.700 -0.089 0.000 2.815 221 N HA -0.155 4.587 4.740 0.004 0.000 0.248 221 N C -0.443 175.129 175.510 0.103 0.000 1.110 221 N CA 1.230 54.227 53.050 -0.087 0.000 0.699 221 N CB -1.765 36.631 38.487 -0.151 0.000 1.040 221 N HN 0.754 nan 8.380 nan 0.000 0.555 222 I N -3.759 116.845 120.570 0.056 0.000 2.476 222 I HA 0.352 4.524 4.170 0.004 0.000 0.281 222 I C 0.552 176.680 176.117 0.019 0.000 1.040 222 I CA -1.404 59.934 61.300 0.063 0.000 1.094 222 I CB 1.871 39.887 38.000 0.027 0.000 1.219 222 I HN -0.255 nan 8.210 nan 0.000 0.450 223 V N 5.036 124.983 119.914 0.054 0.000 3.251 223 V HA -0.244 3.878 4.120 0.004 0.000 0.270 223 V C 0.253 176.262 176.094 -0.141 0.000 1.042 223 V CA 1.531 63.814 62.300 -0.028 0.000 1.169 223 V CB -1.172 30.682 31.823 0.053 0.000 0.726 223 V HN 0.865 nan 8.190 nan 0.000 0.406 224 Q N 2.847 122.498 119.800 -0.248 0.000 2.284 224 Q HA 0.632 4.975 4.340 0.004 0.000 0.269 224 Q C -1.142 174.427 176.000 -0.718 0.000 1.026 224 Q CA -0.618 54.905 55.803 -0.467 0.000 0.831 224 Q CB 2.632 31.059 28.738 -0.517 0.000 1.322 224 Q HN 0.547 nan 8.270 nan 0.000 0.419 225 V N 1.522 121.040 119.914 -0.660 0.000 2.581 225 V HA 0.671 4.793 4.120 0.004 0.000 0.303 225 V C -0.664 175.202 176.094 -0.380 0.000 1.041 225 V CA -0.653 61.348 62.300 -0.500 0.000 0.907 225 V CB 1.512 33.197 31.823 -0.230 0.000 0.994 225 V HN 0.667 nan 8.190 nan 0.000 0.442 226 F N 1.938 121.873 119.950 -0.024 0.000 2.573 226 F HA 0.506 5.035 4.527 0.004 0.000 0.316 226 F C 0.239 176.024 175.800 -0.024 0.000 1.148 226 F CA -1.138 56.844 58.000 -0.031 0.000 0.940 226 F CB 2.411 41.411 39.000 0.000 0.000 1.214 226 F HN 0.444 nan 8.300 nan 0.000 0.448 227 K N 3.183 123.679 120.400 0.161 0.000 2.098 227 K HA 0.556 4.878 4.320 0.004 0.000 0.261 227 K C -0.929 175.740 176.600 0.116 0.000 0.987 227 K CA -1.002 55.356 56.287 0.118 0.000 0.916 227 K CB 1.969 34.473 32.500 0.005 0.000 1.039 227 K HN 0.546 nan 8.250 nan 0.000 0.455 228 K N 0.862 121.352 120.400 0.150 0.000 2.541 228 K HA 0.328 4.650 4.320 0.004 0.000 0.250 228 K C -1.120 175.512 176.600 0.054 0.000 0.950 228 K CA -0.527 55.800 56.287 0.066 0.000 0.805 228 K CB 2.013 34.553 32.500 0.067 0.000 1.166 228 K HN 0.881 nan 8.250 nan 0.000 0.430 229 A N 2.632 125.462 122.820 0.016 0.000 2.251 229 A HA -0.198 4.125 4.320 0.004 0.000 0.315 229 A C 1.290 178.878 177.584 0.007 0.000 1.653 229 A CA 1.162 53.201 52.037 0.003 0.000 1.707 229 A CB -0.577 18.415 19.000 -0.013 0.000 0.930 229 A HN 1.100 nan 8.150 nan 0.000 0.377 230 A N 4.080 126.902 122.820 0.004 0.000 2.182 230 A HA -0.201 4.121 4.320 0.004 0.000 0.235 230 A C 0.594 178.173 177.584 -0.009 0.000 1.757 230 A CA 2.481 54.518 52.037 0.000 0.000 0.923 230 A CB -1.886 17.112 19.000 -0.004 0.000 0.784 230 A HN 1.436 nan 8.150 nan 0.000 0.514 231 P HA -0.001 nan 4.420 nan 0.000 0.261 231 P C -0.046 177.239 177.300 -0.026 0.000 1.288 231 P CA 1.550 64.641 63.100 -0.017 0.000 0.751 231 P CB -0.800 30.892 31.700 -0.014 0.000 1.103 232 S N -0.325 115.354 115.700 -0.035 0.000 2.502 232 S HA 0.476 4.948 4.470 0.004 0.000 0.304 232 S C -1.605 172.950 174.600 -0.075 0.000 1.097 232 S CA -1.692 56.470 58.200 -0.063 0.000 1.045 232 S CB 2.226 65.387 63.200 -0.066 0.000 1.019 232 S HN -0.140 nan 8.310 nan 0.000 0.481 233 P HA 0.003 nan 4.420 nan 0.000 0.216 233 P C 0.943 178.155 177.300 -0.146 0.000 1.153 233 P CA 0.658 63.692 63.100 -0.111 0.000 0.844 233 P CB -0.226 31.401 31.700 -0.122 0.000 0.787 234 I N -0.573 119.843 120.570 -0.257 0.000 2.823 234 I HA 0.169 4.341 4.170 0.004 0.000 0.290 234 I C 0.789 176.854 176.117 -0.087 0.000 1.091 234 I CA -0.040 61.139 61.300 -0.202 0.000 1.365 234 I CB 0.266 38.128 38.000 -0.229 0.000 1.427 234 I HN 0.009 nan 8.210 nan 0.000 0.583 235 S N 1.098 116.754 115.700 -0.074 0.000 2.998 235 S HA 0.353 4.825 4.470 0.004 0.000 0.256 235 S C -0.166 174.459 174.600 0.041 0.000 0.970 235 S CA -0.398 57.769 58.200 -0.055 0.000 1.238 235 S CB -0.168 62.887 63.200 -0.241 0.000 1.170 235 S HN 0.878 nan 8.310 nan 0.000 0.663 236 H N -0.594 118.501 119.070 0.041 0.000 2.951 236 H HA 0.717 5.275 4.556 0.004 0.000 0.292 236 H C -1.545 173.821 175.328 0.064 0.000 1.412 236 H CA -0.689 55.395 56.048 0.061 0.000 1.206 236 H CB 1.276 31.062 29.762 0.039 0.000 1.862 236 H HN 0.199 nan 8.280 nan 0.000 0.502 237 V N -0.046 120.025 119.914 0.261 0.000 3.036 237 V HA 0.685 4.808 4.120 0.004 0.000 0.280 237 V C -1.054 175.065 176.094 0.042 0.000 1.497 237 V CA -0.503 61.882 62.300 0.143 0.000 0.982 237 V CB 2.056 33.976 31.823 0.162 0.000 1.171 237 V HN 1.098 nan 8.190 nan 0.000 0.444 238 A N 2.892 125.701 122.820 -0.018 0.000 2.414 238 A HA 0.982 5.305 4.320 0.004 0.000 0.306 238 A C -0.881 176.656 177.584 -0.079 0.000 1.054 238 A CA -0.458 51.504 52.037 -0.126 0.000 0.724 238 A CB 2.141 21.076 19.000 -0.109 0.000 1.267 238 A HN 0.856 nan 8.150 nan 0.000 0.418 239 E N 1.007 121.124 120.200 -0.139 0.000 2.392 239 E HA 0.630 4.983 4.350 0.004 0.000 0.279 239 E C -2.157 174.402 176.600 -0.068 0.000 0.964 239 E CA -0.512 55.846 56.400 -0.070 0.000 0.777 239 E CB 2.263 31.916 29.700 -0.078 0.000 1.249 239 E HN 0.763 nan 8.360 nan 0.000 0.449 240 I N 2.447 123.020 120.570 0.005 0.000 2.651 240 I HA 0.315 4.487 4.170 0.004 0.000 0.287 240 I C -1.361 174.778 176.117 0.037 0.000 1.244 240 I CA -0.506 60.816 61.300 0.037 0.000 1.061 240 I CB 1.236 39.298 38.000 0.102 0.000 1.286 240 I HN 0.411 nan 8.210 nan 0.000 0.434 241 R N 5.267 125.776 120.500 0.015 0.000 2.593 241 R HA 0.298 4.640 4.340 0.004 0.000 0.282 241 R C -0.427 175.859 176.300 -0.023 0.000 1.300 241 R CA -0.110 56.000 56.100 0.017 0.000 1.221 241 R CB 0.560 30.875 30.300 0.026 0.000 1.157 241 R HN 0.680 nan 8.270 nan 0.000 0.555 242 S N 0.773 116.462 115.700 -0.018 0.000 2.525 242 S HA 0.822 5.295 4.470 0.004 0.000 0.278 242 S C -0.229 174.329 174.600 -0.071 0.000 1.234 242 S CA -0.737 57.395 58.200 -0.113 0.000 1.058 242 S CB 2.259 65.467 63.200 0.014 0.000 0.983 242 S HN 0.576 nan 8.310 nan 0.000 0.495 243 A N 2.095 124.846 122.820 -0.115 0.000 2.549 243 A HA 0.520 4.842 4.320 0.004 0.000 0.291 243 A C -1.273 176.295 177.584 -0.027 0.000 1.034 243 A CA -1.045 50.981 52.037 -0.018 0.000 0.655 243 A CB 0.360 19.379 19.000 0.031 0.000 1.299 243 A HN 0.787 nan 8.150 nan 0.000 0.427 244 L N 2.089 123.306 121.223 -0.010 0.000 2.418 244 L HA 0.176 4.518 4.340 0.004 0.000 0.274 244 L C 2.013 178.885 176.870 0.002 0.000 1.135 244 L CA 0.270 55.100 54.840 -0.017 0.000 0.870 244 L CB 0.688 42.695 42.059 -0.086 0.000 1.154 244 L HN 1.058 nan 8.230 nan 0.000 0.462 245 E N 4.532 124.742 120.200 0.017 0.000 2.107 245 E HA -0.124 4.228 4.350 0.004 0.000 0.191 245 E C -0.190 176.431 176.600 0.035 0.000 0.982 245 E CA 0.799 57.217 56.400 0.031 0.000 0.809 245 E CB 0.241 29.969 29.700 0.046 0.000 0.756 245 E HN 0.621 nan 8.360 nan 0.000 0.459 246 K N -0.059 120.356 120.400 0.024 0.000 2.464 246 K HA 0.548 4.870 4.320 0.004 0.000 0.252 246 K C -0.251 176.350 176.600 0.002 0.000 1.000 246 K CA -0.333 55.968 56.287 0.023 0.000 0.951 246 K CB 1.451 33.964 32.500 0.022 0.000 1.183 246 K HN 0.184 nan 8.250 nan 0.000 0.445 247 G N 0.788 109.597 108.800 0.015 0.000 2.321 247 G HA2 -0.106 3.856 3.960 0.004 0.000 0.177 247 G HA3 -0.106 3.856 3.960 0.004 0.000 0.177 247 G C -0.092 174.805 174.900 -0.006 0.000 1.072 247 G CA 0.086 45.185 45.100 -0.001 0.000 0.768 247 G HN 0.702 nan 8.290 nan 0.000 0.481 248 S N -0.766 114.966 115.700 0.053 0.000 7.341 248 S HA 0.155 4.627 4.470 0.004 0.000 0.045 248 S C 0.374 175.059 174.600 0.140 0.000 1.523 248 S CA 1.296 59.569 58.200 0.123 0.000 0.959 248 S CB -0.511 62.802 63.200 0.188 0.000 0.929 248 S HN 1.740 nan 8.310 nan 0.000 0.540 249 R N 0.349 120.940 120.500 0.151 0.000 2.883 249 R HA -0.011 4.331 4.340 0.004 0.000 0.272 249 R C -1.401 175.038 176.300 0.232 0.000 1.043 249 R CA 0.872 57.064 56.100 0.153 0.000 0.665 249 R CB -2.643 27.721 30.300 0.108 0.000 1.382 249 R HN 0.441 nan 8.270 nan 0.000 0.376 250 F N 1.753 121.733 119.950 0.049 0.000 2.405 250 F HA 0.298 4.827 4.527 0.004 0.000 0.358 250 F C 0.979 176.808 175.800 0.049 0.000 1.151 250 F CA -0.737 57.300 58.000 0.061 0.000 1.161 250 F CB 0.547 39.578 39.000 0.052 0.000 1.245 250 F HN 0.080 nan 8.300 nan 0.000 0.545 251 I N 3.046 123.730 120.570 0.191 0.000 2.412 251 I HA 0.170 4.342 4.170 0.004 0.000 0.296 251 I C -0.012 176.171 176.117 0.109 0.000 0.987 251 I CA -0.109 61.267 61.300 0.126 0.000 1.180 251 I CB 1.901 39.959 38.000 0.095 0.000 1.340 251 I HN 0.342 nan 8.210 nan 0.000 0.455 252 S N 4.656 120.406 115.700 0.084 0.000 2.317 252 S HA 0.246 4.718 4.470 0.004 0.000 0.144 252 S C -0.332 174.298 174.600 0.050 0.000 1.660 252 S CA -0.536 57.705 58.200 0.068 0.000 1.273 252 S CB -0.167 63.076 63.200 0.072 0.000 1.330 252 S HN 0.653 nan 8.310 nan 0.000 0.395 253 T N 2.720 117.308 114.554 0.057 0.000 2.855 253 T HA 0.445 4.797 4.350 0.004 0.000 0.290 253 T C -0.080 174.655 174.700 0.060 0.000 0.941 253 T CA -0.528 61.606 62.100 0.058 0.000 1.030 253 T CB 0.209 69.116 68.868 0.065 0.000 0.935 253 T HN 0.561 nan 8.240 nan 0.000 0.564 254 L N 2.651 123.907 121.223 0.056 0.000 2.307 254 L HA 0.563 4.905 4.340 0.004 0.000 0.282 254 L C -0.356 176.553 176.870 0.065 0.000 1.051 254 L CA -0.204 54.674 54.840 0.065 0.000 0.804 254 L CB 1.485 43.573 42.059 0.048 0.000 1.197 254 L HN 0.601 nan 8.230 nan 0.000 0.431 255 Q N 3.119 122.963 119.800 0.073 0.000 2.375 255 Q HA 0.680 5.023 4.340 0.004 0.000 0.271 255 Q C -1.653 174.390 176.000 0.072 0.000 1.074 255 Q CA -0.944 54.900 55.803 0.069 0.000 0.808 255 Q CB 2.775 31.564 28.738 0.086 0.000 1.327 255 Q HN 0.600 nan 8.270 nan 0.000 0.441 256 V N 3.073 123.022 119.914 0.058 0.000 2.357 256 V HA 0.327 4.449 4.120 0.004 0.000 0.281 256 V C -0.682 175.462 176.094 0.083 0.000 1.015 256 V CA -0.936 61.405 62.300 0.067 0.000 0.827 256 V CB 1.009 32.862 31.823 0.050 0.000 1.018 256 V HN 0.612 nan 8.190 nan 0.000 0.432 257 K N 4.166 124.640 120.400 0.123 0.000 2.172 257 K HA 0.542 4.864 4.320 0.004 0.000 0.276 257 K C -0.599 176.100 176.600 0.164 0.000 1.013 257 K CA -0.891 55.486 56.287 0.150 0.000 0.913 257 K CB 2.273 34.892 32.500 0.198 0.000 1.055 257 K HN 0.440 nan 8.250 nan 0.000 0.461 258 L N 4.577 125.862 121.223 0.104 0.000 2.389 258 L HA 0.189 4.531 4.340 0.004 0.000 0.265 258 L C -0.974 175.964 176.870 0.113 0.000 1.167 258 L CA -0.425 54.452 54.840 0.062 0.000 1.045 258 L CB -1.122 40.907 42.059 -0.050 0.000 1.351 258 L HN 0.381 nan 8.230 nan 0.000 0.419 259 Y N 2.757 123.041 120.300 -0.028 0.000 2.546 259 Y HA 0.383 4.936 4.550 0.004 0.000 0.351 259 Y C 1.437 177.309 175.900 -0.047 0.000 1.266 259 Y CA 0.476 58.561 58.100 -0.025 0.000 1.487 259 Y CB 0.187 38.642 38.460 -0.007 0.000 1.365 259 Y HN 0.769 nan 8.280 nan 0.000 0.642 260 G N 2.446 111.310 108.800 0.107 0.000 3.445 260 G HA2 -0.153 3.809 3.960 0.004 0.000 0.680 260 G HA3 -0.153 3.809 3.960 0.004 0.000 0.680 260 G C -0.202 174.678 174.900 -0.033 0.000 0.972 260 G CA -0.958 44.161 45.100 0.032 0.000 0.798 260 G HN 0.485 nan 8.290 nan 0.000 0.461 261 R N 0.774 121.260 120.500 -0.023 0.000 2.783 261 R HA 0.290 4.632 4.340 0.004 0.000 0.276 261 R C 0.882 177.171 176.300 -0.019 0.000 1.223 261 R CA -0.450 55.633 56.100 -0.028 0.000 1.173 261 R CB 0.304 30.598 30.300 -0.010 0.000 1.157 261 R HN 0.759 nan 8.270 nan 0.000 0.600 262 E N -0.094 120.104 120.200 -0.004 0.000 2.217 262 E HA 0.169 4.521 4.350 0.004 0.000 0.279 262 E C 0.417 177.021 176.600 0.007 0.000 1.068 262 E CA 0.704 57.105 56.400 0.002 0.000 0.882 262 E CB 0.160 29.868 29.700 0.013 0.000 1.039 262 E HN 0.709 nan 8.360 nan 0.000 0.418 263 G N 3.471 112.275 108.800 0.006 0.000 2.358 263 G HA2 -0.364 3.598 3.960 0.004 0.000 0.224 263 G HA3 -0.364 3.598 3.960 0.004 0.000 0.224 263 G C 0.409 175.316 174.900 0.011 0.000 1.073 263 G CA 0.195 45.301 45.100 0.011 0.000 0.635 263 G HN 0.875 nan 8.290 nan 0.000 0.509 264 S N 1.421 117.127 115.700 0.009 0.000 2.599 264 S HA 0.331 4.804 4.470 0.004 0.000 0.303 264 S C 1.076 175.686 174.600 0.016 0.000 1.267 264 S CA 0.952 59.160 58.200 0.014 0.000 1.055 264 S CB 0.207 63.415 63.200 0.013 0.000 0.790 264 S HN 2.019 nan 8.310 nan 0.000 0.500 265 S N 3.613 119.324 115.700 0.019 0.000 3.555 265 S HA 0.294 4.767 4.470 0.004 0.000 0.420 265 S C 0.765 175.377 174.600 0.018 0.000 0.955 265 S CA 0.030 58.241 58.200 0.019 0.000 1.808 265 S CB -2.033 61.177 63.200 0.018 0.000 1.057 265 S HN 2.321 nan 8.310 nan 0.000 0.617 266 A N 2.319 125.149 122.820 0.018 0.000 1.758 266 A HA -0.156 4.166 4.320 0.004 0.000 0.226 266 A C 0.345 177.940 177.584 0.017 0.000 1.327 266 A CA -0.043 52.003 52.037 0.016 0.000 0.681 266 A CB -0.949 18.059 19.000 0.014 0.000 1.173 266 A HN 0.787 nan 8.150 nan 0.000 0.234 267 R N 1.776 122.284 120.500 0.014 0.000 2.593 267 R HA 0.267 4.609 4.340 0.004 0.000 0.282 267 R C 0.729 177.037 176.300 0.013 0.000 1.300 267 R CA 0.629 56.736 56.100 0.012 0.000 1.221 267 R CB 0.574 30.871 30.300 -0.006 0.000 1.157 267 R HN 0.894 nan 8.270 nan 0.000 0.555 268 T N 2.324 116.889 114.554 0.018 0.000 2.910 268 T HA 0.413 4.766 4.350 0.004 0.000 0.293 268 T C 0.352 175.058 174.700 0.009 0.000 1.015 268 T CA -0.362 61.739 62.100 0.001 0.000 1.094 268 T CB 0.543 69.392 68.868 -0.032 0.000 0.968 268 T HN 0.349 nan 8.240 nan 0.000 0.521 269 I N 3.674 124.248 120.570 0.006 0.000 2.433 269 I HA 0.529 4.702 4.170 0.004 0.000 0.292 269 I C 0.321 176.437 176.117 -0.001 0.000 1.001 269 I CA -0.831 60.483 61.300 0.024 0.000 1.119 269 I CB 1.895 39.921 38.000 0.044 0.000 1.289 269 I HN 0.576 nan 8.210 nan 0.000 0.438 270 K N 3.827 124.236 120.400 0.015 0.000 2.433 270 K HA 0.941 5.264 4.320 0.004 0.000 0.252 270 K C -0.903 175.719 176.600 0.035 0.000 1.015 270 K CA -0.852 55.422 56.287 -0.021 0.000 0.860 270 K CB 2.831 35.257 32.500 -0.123 0.000 1.359 270 K HN 0.684 nan 8.250 nan 0.000 0.452 271 A N 0.206 123.031 122.820 0.008 0.000 2.733 271 A HA 0.786 5.108 4.320 0.004 0.000 0.299 271 A C -1.323 176.280 177.584 0.032 0.000 1.252 271 A CA -0.501 51.561 52.037 0.041 0.000 0.677 271 A CB 1.861 20.890 19.000 0.049 0.000 1.361 271 A HN 0.459 nan 8.150 nan 0.000 0.528 272 T N 0.189 114.776 114.554 0.056 0.000 2.971 272 T HA 0.653 5.005 4.350 0.004 0.000 0.304 272 T C -1.170 173.566 174.700 0.059 0.000 1.038 272 T CA -0.047 62.086 62.100 0.056 0.000 1.007 272 T CB 0.856 69.773 68.868 0.081 0.000 1.055 272 T HN 0.563 nan 8.240 nan 0.000 0.451 273 L N 3.027 124.271 121.223 0.034 0.000 2.389 273 L HA 0.589 4.931 4.340 0.004 0.000 0.249 273 L C -1.893 174.997 176.870 0.034 0.000 1.083 273 L CA -2.150 52.721 54.840 0.051 0.000 0.876 273 L CB 1.320 43.410 42.059 0.051 0.000 1.489 273 L HN 0.362 nan 8.230 nan 0.000 0.412 274 P HA -0.140 nan 4.420 nan 0.000 0.271 274 P C -0.239 177.067 177.300 0.011 0.000 1.382 274 P CA 0.565 63.651 63.100 -0.023 0.000 0.790 274 P CB -0.175 31.435 31.700 -0.150 0.000 1.380 275 Y N -0.238 120.053 120.300 -0.014 0.000 3.238 275 Y HA 0.191 4.743 4.550 0.004 0.000 0.368 275 Y C 0.716 176.641 175.900 0.043 0.000 1.038 275 Y CA -0.514 57.601 58.100 0.024 0.000 2.088 275 Y CB -1.843 36.646 38.460 0.049 0.000 2.293 275 Y HN -0.060 nan 8.280 nan 0.000 0.402 276 I N -1.351 119.286 120.570 0.112 0.000 2.509 276 I HA 0.394 4.566 4.170 0.004 0.000 0.293 276 I C 0.714 176.862 176.117 0.052 0.000 1.020 276 I CA -1.475 59.865 61.300 0.067 0.000 1.088 276 I CB 2.166 40.166 38.000 0.000 0.000 1.267 276 I HN -0.061 nan 8.210 nan 0.000 0.430 277 K N 1.794 122.223 120.400 0.049 0.000 2.089 277 K HA -0.202 4.120 4.320 0.004 0.000 0.210 277 K C 0.941 177.561 176.600 0.034 0.000 1.048 277 K CA 2.029 58.346 56.287 0.050 0.000 0.926 277 K CB -0.023 32.508 32.500 0.052 0.000 0.714 277 K HN 0.727 nan 8.250 nan 0.000 0.448 278 Q N -1.644 118.157 119.800 0.001 0.000 2.427 278 Q HA 0.058 4.400 4.340 0.004 0.000 0.394 278 Q C -1.225 174.758 176.000 -0.028 0.000 0.566 278 Q CA -0.645 55.160 55.803 0.004 0.000 1.005 278 Q CB 0.718 29.457 28.738 0.001 0.000 0.956 278 Q HN -0.025 nan 8.270 nan 0.000 0.447 279 D N 0.078 120.446 120.400 -0.053 0.000 2.607 279 D HA 0.579 5.222 4.640 0.004 0.000 0.253 279 D C -0.285 175.909 176.300 -0.177 0.000 1.171 279 D CA -0.392 53.563 54.000 -0.075 0.000 1.084 279 D CB 1.343 42.136 40.800 -0.011 0.000 1.203 279 D HN 0.370 nan 8.370 nan 0.000 0.629 280 I N 0.519 120.995 120.570 -0.156 0.000 2.741 280 I HA 0.163 4.335 4.170 0.004 0.000 0.288 280 I C -2.877 173.172 176.117 -0.112 0.000 1.482 280 I CA -1.622 59.566 61.300 -0.187 0.000 1.050 280 I CB 2.183 40.064 38.000 -0.198 0.000 1.388 280 I HN -0.052 nan 8.210 nan 0.000 0.428 281 P HA 0.395 nan 4.420 nan 0.000 0.286 281 P C 1.165 178.458 177.300 -0.012 0.000 1.261 281 P CA -0.555 62.528 63.100 -0.029 0.000 0.821 281 P CB 0.929 32.624 31.700 -0.007 0.000 1.013 282 I N 1.419 121.995 120.570 0.009 0.000 2.399 282 I HA -0.250 3.922 4.170 0.004 0.000 0.254 282 I C 1.432 177.576 176.117 0.045 0.000 1.146 282 I CA 1.612 62.907 61.300 -0.007 0.000 1.412 282 I CB -1.434 36.613 38.000 0.077 0.000 1.076 282 I HN 0.093 nan 8.210 nan 0.000 0.432 283 V N -0.394 119.593 119.914 0.123 0.000 2.323 283 V HA -0.139 3.983 4.120 0.004 0.000 0.244 283 V C 2.531 178.712 176.094 0.143 0.000 1.041 283 V CA 1.071 63.484 62.300 0.189 0.000 1.025 283 V CB -1.179 30.734 31.823 0.150 0.000 0.656 283 V HN 0.372 nan 8.190 nan 0.000 0.451 284 I N 0.407 121.031 120.570 0.089 0.000 2.110 284 I HA -0.280 3.893 4.170 0.004 0.000 0.226 284 I C 2.607 178.729 176.117 0.008 0.000 1.001 284 I CA 1.850 63.189 61.300 0.065 0.000 1.309 284 I CB -1.468 36.562 38.000 0.050 0.000 1.022 284 I HN 0.202 nan 8.210 nan 0.000 0.384 285 I N 0.417 120.927 120.570 -0.099 0.000 2.191 285 I HA -0.351 3.821 4.170 0.004 0.000 0.248 285 I C 2.714 178.718 176.117 -0.187 0.000 1.061 285 I CA 1.782 62.942 61.300 -0.233 0.000 1.329 285 I CB -1.207 36.578 38.000 -0.359 0.000 1.024 285 I HN 0.191 nan 8.210 nan 0.000 0.423 286 F N 0.250 120.168 119.950 -0.054 0.000 2.269 286 F HA -0.223 4.306 4.527 0.004 0.000 0.301 286 F C 2.712 178.480 175.800 -0.053 0.000 1.082 286 F CA 1.050 59.022 58.000 -0.046 0.000 1.360 286 F CB -0.197 38.801 39.000 -0.002 0.000 1.041 286 F HN 0.043 nan 8.300 nan 0.000 0.512 287 R N -0.155 120.430 120.500 0.142 0.000 2.055 287 R HA -0.080 4.262 4.340 0.004 0.000 0.228 287 R C 2.474 178.797 176.300 0.037 0.000 1.143 287 R CA 1.077 57.229 56.100 0.085 0.000 0.945 287 R CB -0.748 29.597 30.300 0.075 0.000 0.841 287 R HN 0.209 nan 8.270 nan 0.000 0.429 288 A N 1.087 123.904 122.820 -0.005 0.000 2.093 288 A HA -0.138 4.184 4.320 0.004 0.000 0.222 288 A C 1.719 179.262 177.584 -0.068 0.000 1.162 288 A CA 1.248 53.256 52.037 -0.050 0.000 0.655 288 A CB -0.545 18.395 19.000 -0.099 0.000 0.805 288 A HN 0.251 nan 8.150 nan 0.000 0.461 289 L N -1.511 119.674 121.223 -0.062 0.000 2.688 289 L HA 0.297 4.639 4.340 0.004 0.000 0.234 289 L C 1.666 178.524 176.870 -0.020 0.000 1.192 289 L CA 0.352 55.160 54.840 -0.054 0.000 0.984 289 L CB -0.669 41.357 42.059 -0.056 0.000 1.232 289 L HN 0.552 nan 8.230 nan 0.000 0.465 290 G N 0.666 109.463 108.800 -0.006 0.000 2.336 290 G HA2 -0.301 3.661 3.960 0.004 0.000 0.233 290 G HA3 -0.301 3.661 3.960 0.004 0.000 0.233 290 G C 0.200 175.101 174.900 0.002 0.000 1.053 290 G CA -0.248 44.850 45.100 -0.003 0.000 0.625 290 G HN 0.224 nan 8.290 nan 0.000 0.511 291 I N 2.809 123.383 120.570 0.008 0.000 2.578 291 I HA 0.240 4.412 4.170 0.004 0.000 0.286 291 I C 1.543 177.694 176.117 0.056 0.000 1.126 291 I CA 0.165 61.472 61.300 0.011 0.000 1.380 291 I CB 0.435 38.393 38.000 -0.071 0.000 1.408 291 I HN 0.154 nan 8.210 nan 0.000 0.532 292 I N 6.549 127.137 120.570 0.030 0.000 3.132 292 I HA 0.149 4.321 4.170 0.004 0.000 0.255 292 I C -1.498 174.637 176.117 0.031 0.000 1.118 292 I CA 0.216 61.539 61.300 0.038 0.000 1.463 292 I CB -1.309 36.710 38.000 0.032 0.000 1.356 292 I HN 0.349 nan 8.210 nan 0.000 0.463 293 P HA 0.003 nan 4.420 nan 0.000 0.266 293 P C -0.775 176.526 177.300 0.001 0.000 1.215 293 P CA 0.116 63.222 63.100 0.010 0.000 0.763 293 P CB -0.101 31.600 31.700 0.002 0.000 0.806 294 D N 3.375 123.785 120.400 0.018 0.000 2.999 294 D HA 0.084 4.726 4.640 0.004 0.000 0.276 294 D C 1.625 177.917 176.300 -0.015 0.000 1.481 294 D CA 1.945 55.957 54.000 0.020 0.000 1.095 294 D CB -0.731 40.096 40.800 0.045 0.000 1.165 294 D HN 0.724 nan 8.370 nan 0.000 0.599 295 G N 2.543 111.315 108.800 -0.047 0.000 2.797 295 G HA2 -0.232 3.730 3.960 0.004 0.000 0.195 295 G HA3 -0.232 3.730 3.960 0.004 0.000 0.195 295 G C 0.958 175.814 174.900 -0.073 0.000 1.026 295 G CA 0.086 45.153 45.100 -0.056 0.000 0.759 295 G HN 0.460 nan 8.290 nan 0.000 0.475 296 E N 0.274 120.441 120.200 -0.055 0.000 2.285 296 E HA 0.028 4.380 4.350 0.004 0.000 0.194 296 E C 2.272 178.826 176.600 -0.076 0.000 0.997 296 E CA 0.692 57.065 56.400 -0.045 0.000 0.845 296 E CB -0.066 29.632 29.700 -0.004 0.000 0.782 296 E HN 0.438 nan 8.360 nan 0.000 0.491 297 I N 1.611 122.108 120.570 -0.122 0.000 2.110 297 I HA -0.281 3.892 4.170 0.004 0.000 0.236 297 I C 2.449 178.394 176.117 -0.286 0.000 1.068 297 I CA 1.003 62.135 61.300 -0.280 0.000 1.333 297 I CB -1.333 36.485 38.000 -0.304 0.000 1.054 297 I HN 0.229 nan 8.210 nan 0.000 0.402 298 L N 0.243 121.359 121.223 -0.179 0.000 2.283 298 L HA -0.253 4.089 4.340 0.004 0.000 0.217 298 L C 2.366 179.135 176.870 -0.168 0.000 1.104 298 L CA 1.313 56.064 54.840 -0.148 0.000 0.772 298 L CB -0.877 41.132 42.059 -0.084 0.000 0.899 298 L HN 0.413 nan 8.230 nan 0.000 0.439 299 E N -0.605 119.470 120.200 -0.209 0.000 1.998 299 E HA -0.184 4.168 4.350 0.004 0.000 0.195 299 E C 1.960 178.387 176.600 -0.289 0.000 0.994 299 E CA 0.830 57.107 56.400 -0.205 0.000 0.835 299 E CB -0.259 29.296 29.700 -0.241 0.000 0.786 299 E HN 0.483 nan 8.360 nan 0.000 0.467 300 H N 0.449 119.481 119.070 -0.063 0.000 2.365 300 H HA -0.253 4.305 4.556 0.004 0.000 0.279 300 H C 2.198 177.645 175.328 0.199 0.000 1.141 300 H CA 2.009 58.035 56.048 -0.035 0.000 1.135 300 H CB -0.677 28.804 29.762 -0.468 0.000 1.356 300 H HN 0.224 nan 8.280 nan 0.000 0.465 301 I N -0.563 119.958 120.570 -0.081 0.000 2.731 301 I HA -0.053 4.119 4.170 0.004 0.000 0.235 301 I C 1.427 177.267 176.117 -0.461 0.000 1.064 301 I CA 0.340 61.540 61.300 -0.167 0.000 1.439 301 I CB 0.059 37.995 38.000 -0.106 0.000 1.255 301 I HN 0.168 nan 8.210 nan 0.000 0.446 302 C N 1.295 120.430 119.300 -0.275 0.000 2.585 302 C HA 0.123 4.585 4.460 0.004 0.000 0.406 302 C C 1.160 176.010 174.990 -0.234 0.000 1.312 302 C CA -0.244 58.611 59.018 -0.272 0.000 1.924 302 C CB -0.898 26.761 27.740 -0.135 0.000 2.578 302 C HN 0.455 nan 8.230 nan 0.000 0.580 303 Y N 2.402 122.755 120.300 0.090 0.000 2.457 303 Y HA 0.231 4.783 4.550 0.004 0.000 0.263 303 Y C 0.703 176.657 175.900 0.090 0.000 1.164 303 Y CA -0.030 58.144 58.100 0.123 0.000 1.274 303 Y CB 0.167 38.758 38.460 0.219 0.000 1.097 303 Y HN 0.857 nan 8.280 nan 0.000 0.523 304 D N -1.505 118.972 120.400 0.127 0.000 2.803 304 D HA 0.170 4.812 4.640 0.004 0.000 0.218 304 D C -0.536 175.809 176.300 0.074 0.000 1.245 304 D CA -0.539 53.528 54.000 0.111 0.000 0.821 304 D CB 1.437 42.310 40.800 0.122 0.000 1.626 304 D HN -0.166 nan 8.370 nan 0.000 0.487 305 V N 2.181 122.138 119.914 0.072 0.000 3.342 305 V HA 0.271 4.393 4.120 0.004 0.000 0.322 305 V C 0.750 176.892 176.094 0.081 0.000 1.370 305 V CA -0.319 62.016 62.300 0.058 0.000 1.170 305 V CB -0.735 31.102 31.823 0.023 0.000 1.101 305 V HN 0.521 nan 8.190 nan 0.000 0.442 306 N N 0.595 119.353 118.700 0.098 0.000 2.270 306 N HA 0.057 4.799 4.740 0.004 0.000 0.198 306 N C 0.337 175.977 175.510 0.218 0.000 1.117 306 N CA 0.217 53.353 53.050 0.144 0.000 0.845 306 N CB 0.442 38.996 38.487 0.112 0.000 0.980 306 N HN 0.409 nan 8.380 nan 0.000 0.486 307 D N 1.225 121.705 120.400 0.134 0.000 3.139 307 D HA 0.035 4.677 4.640 0.004 0.000 0.268 307 D C 1.546 177.873 176.300 0.044 0.000 1.322 307 D CA -0.670 53.360 54.000 0.050 0.000 0.940 307 D CB -0.104 40.681 40.800 -0.024 0.000 1.050 307 D HN 0.200 nan 8.370 nan 0.000 0.503 308 W N 0.692 121.989 121.300 -0.006 0.000 2.257 308 W HA -0.362 4.300 4.660 0.004 0.000 0.325 308 W C 1.160 177.676 176.519 -0.005 0.000 1.296 308 W CA 0.769 58.111 57.345 -0.006 0.000 1.297 308 W CB -0.743 28.715 29.460 -0.003 0.000 1.131 308 W HN 0.218 nan 8.180 nan 0.000 0.492 309 Q N 0.801 120.136 119.800 -0.776 0.000 2.045 309 Q HA -0.289 4.054 4.340 0.004 0.000 0.206 309 Q C 2.420 178.160 176.000 -0.433 0.000 0.991 309 Q CA 2.926 58.022 55.803 -1.178 0.000 0.851 309 Q CB -0.629 27.329 28.738 -1.300 0.000 0.911 309 Q HN 0.549 nan 8.270 nan 0.000 0.418 310 M N 0.104 119.518 119.600 -0.309 0.000 2.175 310 M HA -0.119 4.363 4.480 0.004 0.000 0.264 310 M C 1.886 178.139 176.300 -0.078 0.000 1.063 310 M CA 1.165 56.366 55.300 -0.166 0.000 1.119 310 M CB -0.060 32.455 32.600 -0.141 0.000 1.377 310 M HN 0.145 nan 8.290 nan 0.000 0.415 311 L N 0.072 121.272 121.223 -0.039 0.000 2.079 311 L HA -0.223 4.119 4.340 0.004 0.000 0.210 311 L C 2.426 179.314 176.870 0.030 0.000 1.081 311 L CA 1.960 56.809 54.840 0.014 0.000 0.752 311 L CB -0.463 41.644 42.059 0.079 0.000 0.896 311 L HN 0.477 nan 8.230 nan 0.000 0.433 312 E N -0.670 119.560 120.200 0.051 0.000 2.158 312 E HA -0.195 4.157 4.350 0.004 0.000 0.191 312 E C 2.261 178.885 176.600 0.041 0.000 0.982 312 E CA 0.702 57.152 56.400 0.083 0.000 0.823 312 E CB 0.039 29.843 29.700 0.173 0.000 0.766 312 E HN 0.207 nan 8.360 nan 0.000 0.468 313 M N 0.132 119.732 119.600 -0.000 0.000 2.149 313 M HA -0.112 4.370 4.480 0.004 0.000 0.261 313 M C 1.856 178.158 176.300 0.002 0.000 1.064 313 M CA 1.323 56.614 55.300 -0.014 0.000 1.102 313 M CB -0.353 32.221 32.600 -0.043 0.000 1.369 313 M HN 0.284 nan 8.290 nan 0.000 0.408 314 L N -1.305 119.922 121.223 0.007 0.000 2.446 314 L HA -0.084 4.258 4.340 0.004 0.000 0.219 314 L C 2.185 179.073 176.870 0.029 0.000 1.116 314 L CA 0.193 55.043 54.840 0.018 0.000 0.844 314 L CB -0.377 41.691 42.059 0.015 0.000 0.970 314 L HN 0.194 nan 8.230 nan 0.000 0.457 315 K N 0.777 121.199 120.400 0.036 0.000 2.107 315 K HA -0.209 4.113 4.320 0.004 0.000 0.211 315 K C -0.685 175.940 176.600 0.041 0.000 1.049 315 K CA 1.975 58.289 56.287 0.046 0.000 0.927 315 K CB -0.984 31.551 32.500 0.058 0.000 0.714 315 K HN 0.310 nan 8.250 nan 0.000 0.452 316 P HA 0.013 nan 4.420 nan 0.000 0.249 316 P C 0.596 177.903 177.300 0.012 0.000 1.229 316 P CA 0.665 63.778 63.100 0.021 0.000 0.788 316 P CB 0.118 31.829 31.700 0.018 0.000 1.072 317 C N -0.569 118.745 119.300 0.022 0.000 2.631 317 C HA -0.053 4.409 4.460 0.004 0.000 0.283 317 C C 2.724 177.730 174.990 0.028 0.000 1.295 317 C CA 0.162 59.194 59.018 0.023 0.000 1.697 317 C CB -1.384 26.382 27.740 0.044 0.000 2.128 317 C HN 0.083 nan 8.230 nan 0.000 0.503 318 V N 2.465 122.407 119.914 0.047 0.000 2.319 318 V HA -0.370 3.752 4.120 0.004 0.000 0.264 318 V C 2.392 178.512 176.094 0.043 0.000 1.107 318 V CA 2.518 64.856 62.300 0.062 0.000 1.101 318 V CB -0.925 30.945 31.823 0.079 0.000 0.704 318 V HN 0.646 nan 8.190 nan 0.000 0.454 319 E N -0.623 119.584 120.200 0.010 0.000 2.338 319 E HA -0.223 4.129 4.350 0.004 0.000 0.197 319 E C 1.586 178.089 176.600 -0.162 0.000 1.007 319 E CA 1.264 57.617 56.400 -0.078 0.000 0.849 319 E CB -0.252 29.422 29.700 -0.042 0.000 0.774 319 E HN 0.682 nan 8.360 nan 0.000 0.506 320 D N -0.209 120.140 120.400 -0.085 0.000 2.349 320 D HA 0.016 4.658 4.640 0.004 0.000 0.215 320 D C 1.473 177.719 176.300 -0.090 0.000 1.016 320 D CA 0.654 54.601 54.000 -0.088 0.000 0.870 320 D CB 0.242 41.017 40.800 -0.042 0.000 0.917 320 D HN 0.205 nan 8.370 nan 0.000 0.524 321 G N -0.498 108.250 108.800 -0.088 0.000 2.945 321 G HA2 -0.008 3.955 3.960 0.004 0.000 0.225 321 G HA3 -0.008 3.955 3.960 0.004 0.000 0.225 321 G C 0.530 175.384 174.900 -0.077 0.000 1.046 321 G CA -0.301 44.762 45.100 -0.061 0.000 0.842 321 G HN 0.270 nan 8.290 nan 0.000 0.543 322 F N 1.651 121.609 119.950 0.013 0.000 2.660 322 F HA 0.475 5.004 4.527 0.004 0.000 0.342 322 F C 0.167 175.963 175.800 -0.006 0.000 1.222 322 F CA -0.968 57.035 58.000 0.005 0.000 1.396 322 F CB -0.142 38.860 39.000 0.003 0.000 1.466 322 F HN -0.120 nan 8.300 nan 0.000 0.588 323 V N 1.846 121.647 119.914 -0.189 0.000 3.380 323 V HA 0.292 4.415 4.120 0.004 0.000 0.307 323 V C 0.401 176.474 176.094 -0.036 0.000 1.434 323 V CA 0.074 62.296 62.300 -0.130 0.000 1.075 323 V CB -0.129 31.594 31.823 -0.167 0.000 0.954 323 V HN 0.483 nan 8.190 nan 0.000 0.444 324 I N 0.817 121.401 120.570 0.023 0.000 2.608 324 I HA 0.226 4.398 4.170 0.004 0.000 0.280 324 I C -0.451 175.709 176.117 0.071 0.000 1.186 324 I CA 0.059 61.381 61.300 0.036 0.000 1.081 324 I CB 2.134 40.161 38.000 0.044 0.000 1.272 324 I HN 0.095 nan 8.210 nan 0.000 0.460 325 Q N 4.939 124.783 119.800 0.073 0.000 2.241 325 Q HA 0.184 4.527 4.340 0.004 0.000 0.296 325 Q C -1.259 174.773 176.000 0.053 0.000 0.889 325 Q CA -0.139 55.711 55.803 0.078 0.000 1.089 325 Q CB 0.287 29.090 28.738 0.109 0.000 1.195 325 Q HN 0.613 nan 8.270 nan 0.000 0.451 326 D N -1.450 118.979 120.400 0.049 0.000 2.296 326 D HA 0.115 4.757 4.640 0.004 0.000 0.224 326 D C 0.192 176.513 176.300 0.036 0.000 1.324 326 D CA -0.552 53.472 54.000 0.039 0.000 0.940 326 D CB 0.613 41.433 40.800 0.033 0.000 1.492 326 D HN -0.093 nan 8.370 nan 0.000 0.531 327 R N 2.173 122.692 120.500 0.032 0.000 1.768 327 R HA -0.345 3.997 4.340 0.004 0.000 0.058 327 R C 0.856 177.170 176.300 0.024 0.000 0.873 327 R CA 2.923 59.037 56.100 0.022 0.000 0.305 327 R CB -1.199 29.113 30.300 0.020 0.000 0.576 327 R HN 0.684 nan 8.270 nan 0.000 0.241 328 E N -1.669 118.548 120.200 0.028 0.000 2.400 328 E HA 0.077 4.429 4.350 0.004 0.000 0.195 328 E C 1.191 177.815 176.600 0.041 0.000 1.012 328 E CA 1.074 57.492 56.400 0.032 0.000 0.875 328 E CB 0.281 29.998 29.700 0.029 0.000 0.859 328 E HN 0.718 nan 8.360 nan 0.000 0.498 329 T N -1.963 112.617 114.554 0.043 0.000 3.069 329 T HA 0.388 4.740 4.350 0.004 0.000 0.252 329 T C 1.661 176.408 174.700 0.079 0.000 1.053 329 T CA 0.240 62.373 62.100 0.054 0.000 0.964 329 T CB 0.631 69.522 68.868 0.038 0.000 1.005 329 T HN 0.109 nan 8.240 nan 0.000 0.532 330 A N 1.727 124.587 122.820 0.066 0.000 1.878 330 A HA 0.306 4.628 4.320 0.004 0.000 0.213 330 A C 2.010 179.634 177.584 0.066 0.000 1.192 330 A CA 0.428 52.510 52.037 0.075 0.000 0.619 330 A CB -0.646 18.373 19.000 0.032 0.000 0.837 330 A HN 0.353 nan 8.150 nan 0.000 0.446 331 L N 0.574 121.822 121.223 0.041 0.000 2.261 331 L HA -0.149 4.193 4.340 0.004 0.000 0.216 331 L C 1.744 178.654 176.870 0.067 0.000 1.114 331 L CA 1.487 56.345 54.840 0.031 0.000 0.777 331 L CB -1.181 40.893 42.059 0.026 0.000 0.910 331 L HN 0.379 nan 8.230 nan 0.000 0.440 332 D N -0.555 119.900 120.400 0.092 0.000 2.225 332 D HA -0.302 4.340 4.640 0.004 0.000 0.229 332 D C 1.922 178.331 176.300 0.183 0.000 1.096 332 D CA 1.117 55.190 54.000 0.122 0.000 0.964 332 D CB -0.378 40.489 40.800 0.112 0.000 1.336 332 D HN 0.191 nan 8.370 nan 0.000 0.511 333 F N 0.813 120.766 119.950 0.005 0.000 2.229 333 F HA -0.236 4.293 4.527 0.004 0.000 0.297 333 F C 1.183 176.989 175.800 0.010 0.000 1.020 333 F CA 0.899 58.899 58.000 0.001 0.000 1.362 333 F CB -0.691 38.301 39.000 -0.014 0.000 1.107 333 F HN 0.109 nan 8.300 nan 0.000 0.532 334 I N -0.191 120.444 120.570 0.108 0.000 3.257 334 I HA 0.305 4.477 4.170 0.004 0.000 0.325 334 I C 0.983 177.184 176.117 0.140 0.000 1.287 334 I CA 0.070 61.393 61.300 0.037 0.000 1.263 334 I CB -0.739 37.224 38.000 -0.062 0.000 1.550 334 I HN 0.030 nan 8.210 nan 0.000 0.505 346 E N 2.372 122.590 120.200 0.030 0.000 2.368 346 E HA -0.362 3.990 4.350 0.004 0.000 0.222 346 E C 1.065 177.689 176.600 0.040 0.000 1.099 346 E CA 2.724 59.145 56.400 0.035 0.000 0.885 346 E CB -0.857 28.861 29.700 0.030 0.000 0.754 346 E HN 0.404 nan 8.360 nan 0.000 0.466 347 K N 0.682 121.099 120.400 0.029 0.000 2.127 347 K HA -0.235 4.087 4.320 0.004 0.000 0.208 347 K C 2.266 178.892 176.600 0.043 0.000 1.047 347 K CA 2.227 58.526 56.287 0.019 0.000 0.927 347 K CB -0.451 32.043 32.500 -0.010 0.000 0.716 347 K HN 0.592 nan 8.250 nan 0.000 0.450 348 R N -0.593 119.948 120.500 0.067 0.000 2.369 348 R HA 0.261 4.603 4.340 0.004 0.000 0.210 348 R C 1.768 178.162 176.300 0.157 0.000 0.881 348 R CA -0.022 56.158 56.100 0.133 0.000 1.031 348 R CB -0.255 30.108 30.300 0.104 0.000 1.184 348 R HN -0.039 nan 8.270 nan 0.000 0.581 349 I N 2.082 122.715 120.570 0.105 0.000 2.179 349 I HA -0.224 3.949 4.170 0.004 0.000 0.242 349 I C 2.473 178.661 176.117 0.119 0.000 1.088 349 I CA 1.391 62.749 61.300 0.096 0.000 1.357 349 I CB -0.496 37.543 38.000 0.066 0.000 1.051 349 I HN 0.106 nan 8.210 nan 0.000 0.409 350 Q N -0.076 119.795 119.800 0.119 0.000 1.954 350 Q HA -0.320 4.022 4.340 0.004 0.000 0.215 350 Q C 2.223 178.323 176.000 0.168 0.000 1.026 350 Q CA 2.195 58.071 55.803 0.122 0.000 0.881 350 Q CB -1.177 27.638 28.738 0.129 0.000 0.977 350 Q HN 0.504 nan 8.270 nan 0.000 0.416 351 Y N 0.003 120.327 120.300 0.040 0.000 2.110 351 Y HA -0.417 4.135 4.550 0.004 0.000 0.258 351 Y C 2.185 178.106 175.900 0.035 0.000 1.271 351 Y CA 2.847 60.975 58.100 0.047 0.000 1.080 351 Y CB -1.032 37.460 38.460 0.053 0.000 0.892 351 Y HN 0.243 nan 8.280 nan 0.000 0.510 352 A N -0.308 122.528 122.820 0.027 0.000 1.898 352 A HA -0.181 4.141 4.320 0.004 0.000 0.216 352 A C 2.000 179.550 177.584 -0.058 0.000 1.181 352 A CA 1.595 53.577 52.037 -0.091 0.000 0.620 352 A CB -0.624 18.346 19.000 -0.050 0.000 0.819 352 A HN 0.502 nan 8.150 nan 0.000 0.442 353 K N -0.004 120.393 120.400 -0.005 0.000 2.732 353 K HA -0.092 4.230 4.320 0.004 0.000 0.206 353 K C -0.033 176.567 176.600 0.001 0.000 0.992 353 K CA 0.637 56.921 56.287 -0.005 0.000 1.035 353 K CB -0.162 32.350 32.500 0.020 0.000 0.843 353 K HN 0.490 nan 8.250 nan 0.000 0.488 354 D N 0.089 120.475 120.400 -0.023 0.000 2.818 354 D HA 0.121 4.763 4.640 0.004 0.000 0.250 354 D C 1.685 177.961 176.300 -0.040 0.000 1.496 354 D CA -0.101 53.889 54.000 -0.016 0.000 1.192 354 D CB -0.339 40.457 40.800 -0.008 0.000 0.963 354 D HN -0.116 nan 8.370 nan 0.000 0.259 355 I N 1.255 121.750 120.570 -0.124 0.000 2.237 355 I HA -0.297 3.875 4.170 0.004 0.000 0.245 355 I C 1.164 177.276 176.117 -0.009 0.000 1.013 355 I CA 1.320 62.536 61.300 -0.139 0.000 1.298 355 I CB -0.543 37.305 38.000 -0.254 0.000 0.995 355 I HN 0.129 nan 8.210 nan 0.000 0.422 356 L N -0.237 120.958 121.223 -0.047 0.000 2.998 356 L HA 0.209 4.551 4.340 0.004 0.000 0.234 356 L C 0.800 177.745 176.870 0.126 0.000 1.350 356 L CA 0.078 54.925 54.840 0.013 0.000 1.202 356 L CB -0.342 41.505 42.059 -0.353 0.000 1.583 356 L HN 0.363 nan 8.230 nan 0.000 0.456 357 Q N -1.089 118.780 119.800 0.115 0.000 2.340 357 Q HA 0.095 4.437 4.340 0.004 0.000 0.173 357 Q C 1.555 177.585 176.000 0.049 0.000 0.692 357 Q CA -0.365 55.491 55.803 0.087 0.000 0.904 357 Q CB 0.308 29.079 28.738 0.055 0.000 1.228 357 Q HN 0.211 nan 8.270 nan 0.000 0.387 358 K N 0.996 121.414 120.400 0.030 0.000 2.103 358 K HA -0.039 4.283 4.320 0.004 0.000 0.204 358 K C 0.589 177.190 176.600 0.002 0.000 1.052 358 K CA 1.211 57.509 56.287 0.019 0.000 0.945 358 K CB 0.337 32.866 32.500 0.049 0.000 0.722 358 K HN 0.245 nan 8.250 nan 0.000 0.443 359 E N -0.515 119.668 120.200 -0.028 0.000 2.846 359 E HA 0.046 4.398 4.350 0.004 0.000 0.211 359 E C -0.651 175.940 176.600 -0.015 0.000 0.975 359 E CA -0.294 56.077 56.400 -0.048 0.000 1.211 359 E CB 0.003 29.592 29.700 -0.185 0.000 1.052 359 E HN 0.065 nan 8.360 nan 0.000 0.487 360 F N 2.009 121.926 119.950 -0.055 0.000 2.325 360 F HA 0.358 4.887 4.527 0.004 0.000 0.369 360 F C -0.014 175.788 175.800 0.003 0.000 1.095 360 F CA -1.092 56.892 58.000 -0.027 0.000 1.082 360 F CB 0.375 39.342 39.000 -0.055 0.000 1.289 360 F HN -0.101 nan 8.300 nan 0.000 0.462 361 L N 6.805 127.658 121.223 -0.617 0.000 3.598 361 L HA -0.209 4.133 4.340 0.004 0.000 0.422 361 L C -1.772 174.909 176.870 -0.316 0.000 1.262 361 L CA 0.125 54.695 54.840 -0.450 0.000 0.889 361 L CB -1.766 39.837 42.059 -0.760 0.000 1.857 361 L HN 0.467 nan 8.230 nan 0.000 0.858 362 P HA -0.206 nan 4.420 nan 0.000 0.219 362 P C 0.981 178.241 177.300 -0.067 0.000 1.153 362 P CA 2.204 65.265 63.100 -0.065 0.000 0.865 362 P CB -0.208 31.494 31.700 0.004 0.000 0.788 363 H N -2.129 116.854 119.070 -0.145 0.000 2.326 363 H HA 0.097 4.655 4.556 0.004 0.000 0.358 363 H C 1.794 177.015 175.328 -0.178 0.000 1.834 363 H CA -0.319 55.648 56.048 -0.134 0.000 1.427 363 H CB -0.567 29.132 29.762 -0.104 0.000 1.638 363 H HN -0.134 nan 8.280 nan 0.000 0.567 364 I N -2.536 117.798 120.570 -0.393 0.000 4.841 364 I HA -0.340 3.832 4.170 0.004 0.000 0.039 364 I C 0.677 176.702 176.117 -0.153 0.000 0.634 364 I CA 2.027 63.103 61.300 -0.373 0.000 0.475 364 I CB -2.127 35.582 38.000 -0.484 0.000 0.486 364 I HN 0.863 nan 8.210 nan 0.000 0.152 365 T N -0.802 113.664 114.554 -0.146 0.000 2.737 365 T HA 0.325 4.677 4.350 0.004 0.000 0.312 365 T C -0.410 174.233 174.700 -0.095 0.000 1.857 365 T CA 0.070 62.102 62.100 -0.114 0.000 0.999 365 T CB 1.150 69.938 68.868 -0.133 0.000 1.854 365 T HN 0.369 nan 8.240 nan 0.000 0.513 366 Q N 0.426 120.164 119.800 -0.104 0.000 2.280 366 Q HA 0.351 4.693 4.340 0.004 0.000 0.228 366 Q C 0.874 176.841 176.000 -0.055 0.000 0.857 366 Q CA -0.071 55.689 55.803 -0.072 0.000 0.939 366 Q CB 0.106 28.788 28.738 -0.093 0.000 1.114 366 Q HN 0.506 nan 8.270 nan 0.000 0.514 367 L N 0.387 121.547 121.223 -0.104 0.000 2.172 367 L HA -0.092 4.250 4.340 0.004 0.000 0.176 367 L C 1.662 178.515 176.870 -0.029 0.000 0.986 367 L CA 0.764 55.538 54.840 -0.111 0.000 0.936 367 L CB -0.069 41.848 42.059 -0.236 0.000 1.222 367 L HN -0.036 nan 8.230 nan 0.000 0.542 368 E N -0.720 119.476 120.200 -0.007 0.000 2.079 368 E HA 0.094 4.446 4.350 0.004 0.000 0.191 368 E C 0.643 177.308 176.600 0.109 0.000 0.961 368 E CA 0.501 56.929 56.400 0.047 0.000 0.823 368 E CB 0.193 29.923 29.700 0.049 0.000 0.789 368 E HN 0.698 nan 8.360 nan 0.000 0.459 369 G N 0.277 109.191 108.800 0.191 0.000 3.678 369 G HA2 0.479 4.441 3.960 0.004 0.000 0.344 369 G HA3 0.479 4.441 3.960 0.004 0.000 0.344 369 G C -1.163 174.030 174.900 0.488 0.000 1.450 369 G CA -0.227 45.047 45.100 0.289 0.000 1.078 369 G HN 0.038 nan 8.290 nan 0.000 0.474 370 F N 0.941 120.883 119.950 -0.014 0.000 3.717 370 F HA 0.270 4.799 4.527 0.004 0.000 0.392 370 F C 0.005 175.807 175.800 0.003 0.000 1.121 370 F CA -0.692 57.292 58.000 -0.026 0.000 1.511 370 F CB 1.493 40.464 39.000 -0.049 0.000 2.135 370 F HN 0.395 nan 8.300 nan 0.000 0.817 371 E N -0.339 119.887 120.200 0.044 0.000 3.590 371 E HA 0.033 4.386 4.350 0.004 0.000 0.223 371 E C 1.715 178.319 176.600 0.006 0.000 1.195 371 E CA 0.953 57.374 56.400 0.036 0.000 1.670 371 E CB -0.109 29.596 29.700 0.008 0.000 1.578 371 E HN 0.212 nan 8.360 nan 0.000 0.763 372 S N 1.331 117.005 115.700 -0.043 0.000 2.481 372 S HA -0.040 4.432 4.470 0.004 0.000 0.231 372 S C 1.756 176.391 174.600 0.057 0.000 0.996 372 S CA 0.453 58.633 58.200 -0.033 0.000 0.942 372 S CB -0.090 63.087 63.200 -0.039 0.000 0.768 372 S HN 0.036 nan 8.310 nan 0.000 0.520 373 R N 1.193 121.653 120.500 -0.067 0.000 2.159 373 R HA -0.028 4.315 4.340 0.004 0.000 0.237 373 R C 2.050 178.389 176.300 0.064 0.000 1.131 373 R CA 1.479 57.519 56.100 -0.100 0.000 0.982 373 R CB -0.195 29.926 30.300 -0.299 0.000 0.868 373 R HN 0.595 nan 8.270 nan 0.000 0.453 374 K N -0.269 120.220 120.400 0.148 0.000 2.063 374 K HA 0.114 4.437 4.320 0.004 0.000 0.204 374 K C 2.156 179.028 176.600 0.454 0.000 1.039 374 K CA 0.689 57.160 56.287 0.308 0.000 0.957 374 K CB -0.297 32.413 32.500 0.350 0.000 0.764 374 K HN 0.005 nan 8.250 nan 0.000 0.447 375 A N 2.032 125.035 122.820 0.305 0.000 1.861 375 A HA -0.329 3.993 4.320 0.004 0.000 0.248 375 A C 1.973 179.900 177.584 0.571 0.000 2.075 375 A CA 2.418 54.668 52.037 0.355 0.000 0.818 375 A CB -1.623 17.260 19.000 -0.194 0.000 0.844 375 A HN 0.355 nan 8.150 nan 0.000 0.498 376 F N -2.054 118.147 119.950 0.418 0.000 2.106 376 F HA -0.292 4.237 4.527 0.004 0.000 0.299 376 F C 2.085 178.389 175.800 0.841 0.000 1.082 376 F CA 2.092 60.477 58.000 0.641 0.000 1.244 376 F CB -0.369 38.789 39.000 0.263 0.000 0.997 376 F HN 0.422 nan 8.300 nan 0.000 0.486 377 F N 0.171 120.555 119.950 0.724 0.000 2.053 377 F HA -0.130 4.399 4.527 0.004 0.000 0.292 377 F C 2.128 178.274 175.800 0.576 0.000 1.125 377 F CA 1.113 59.476 58.000 0.606 0.000 1.193 377 F CB -1.046 38.167 39.000 0.354 0.000 0.996 377 F HN -0.141 nan 8.300 nan 0.000 0.470 378 L N 0.780 122.330 121.223 0.546 0.000 2.468 378 L HA -0.112 4.230 4.340 0.004 0.000 0.225 378 L C 1.925 179.059 176.870 0.440 0.000 1.139 378 L CA 1.901 56.947 54.840 0.345 0.000 0.792 378 L CB -1.320 40.913 42.059 0.290 0.000 0.916 378 L HN 0.277 nan 8.230 nan 0.000 0.446 379 G N -1.962 107.222 108.800 0.640 0.000 2.473 379 G HA2 -0.273 3.689 3.960 0.004 0.000 0.212 379 G HA3 -0.273 3.689 3.960 0.004 0.000 0.212 379 G C 1.305 176.464 174.900 0.432 0.000 1.211 379 G CA 0.537 45.988 45.100 0.586 0.000 0.813 379 G HN 0.409 nan 8.290 nan 0.000 0.541 380 Y N 0.859 121.409 120.300 0.416 0.000 2.073 380 Y HA -0.316 4.237 4.550 0.004 0.000 0.270 380 Y C 2.958 178.860 175.900 0.003 0.000 1.226 380 Y CA 2.334 60.550 58.100 0.194 0.000 1.117 380 Y CB -0.315 38.166 38.460 0.035 0.000 0.939 380 Y HN 0.165 nan 8.280 nan 0.000 0.504 381 M N -1.051 118.585 119.600 0.060 0.000 2.065 381 M HA -0.280 4.202 4.480 0.004 0.000 0.259 381 M C 2.015 178.255 176.300 -0.100 0.000 1.069 381 M CA 1.812 57.051 55.300 -0.101 0.000 1.110 381 M CB -0.365 32.188 32.600 -0.079 0.000 1.328 381 M HN 0.261 nan 8.290 nan 0.000 0.405 382 I N 0.078 120.652 120.570 0.006 0.000 2.264 382 I HA -0.314 3.859 4.170 0.004 0.000 0.248 382 I C 1.995 178.076 176.117 -0.061 0.000 1.111 382 I CA 1.660 62.966 61.300 0.010 0.000 1.382 382 I CB -1.667 36.390 38.000 0.094 0.000 1.060 382 I HN 0.469 nan 8.210 nan 0.000 0.418 383 N N 1.208 119.838 118.700 -0.117 0.000 2.166 383 N HA -0.186 4.556 4.740 0.004 0.000 0.186 383 N C 1.948 177.323 175.510 -0.226 0.000 1.019 383 N CA 1.236 54.166 53.050 -0.200 0.000 0.856 383 N CB 0.139 38.451 38.487 -0.291 0.000 0.993 383 N HN 0.214 nan 8.380 nan 0.000 0.426 384 R N 0.393 120.704 120.500 -0.314 0.000 2.080 384 R HA 0.037 4.379 4.340 0.004 0.000 0.222 384 R C 2.196 178.400 176.300 -0.160 0.000 1.107 384 R CA 0.434 56.374 56.100 -0.267 0.000 0.980 384 R CB -1.558 28.551 30.300 -0.319 0.000 0.879 384 R HN 0.293 nan 8.270 nan 0.000 0.439 385 L N 1.478 122.621 121.223 -0.132 0.000 2.211 385 L HA -0.155 4.187 4.340 0.004 0.000 0.216 385 L C 1.802 178.669 176.870 -0.005 0.000 1.092 385 L CA 1.533 56.344 54.840 -0.048 0.000 0.767 385 L CB -0.106 41.946 42.059 -0.011 0.000 0.894 385 L HN 0.109 nan 8.230 nan 0.000 0.437 386 L N -2.645 118.553 121.223 -0.043 0.000 2.513 386 L HA 0.003 4.345 4.340 0.004 0.000 0.222 386 L C 1.920 178.766 176.870 -0.039 0.000 1.096 386 L CA -0.426 54.401 54.840 -0.021 0.000 0.857 386 L CB -0.371 41.661 42.059 -0.045 0.000 1.026 386 L HN 0.112 nan 8.230 nan 0.000 0.469 387 L N 0.096 121.274 121.223 -0.075 0.000 2.191 387 L HA -0.177 4.165 4.340 0.004 0.000 0.212 387 L C 2.448 179.285 176.870 -0.054 0.000 1.103 387 L CA 1.397 56.192 54.840 -0.075 0.000 0.769 387 L CB -0.978 41.024 42.059 -0.095 0.000 0.908 387 L HN 0.477 nan 8.230 nan 0.000 0.438 388 C N -1.240 118.033 119.300 -0.045 0.000 2.594 388 C HA 0.351 4.813 4.460 0.004 0.000 0.265 388 C C 2.255 177.237 174.990 -0.015 0.000 1.351 388 C CA 0.296 59.274 59.018 -0.066 0.000 1.744 388 C CB -0.839 26.835 27.740 -0.110 0.000 1.890 388 C HN 0.436 nan 8.230 nan 0.000 0.551 389 A N 0.008 122.909 122.820 0.136 0.000 2.387 389 A HA 0.483 4.805 4.320 0.004 0.000 0.234 389 A C 1.149 178.809 177.584 0.128 0.000 1.253 389 A CA 0.143 52.359 52.037 0.299 0.000 0.894 389 A CB -0.289 18.942 19.000 0.385 0.000 0.963 389 A HN 0.615 nan 8.150 nan 0.000 0.508 390 L N -0.907 120.333 121.223 0.029 0.000 2.965 390 L HA 0.236 4.579 4.340 0.004 0.000 0.254 390 L C -0.130 176.725 176.870 -0.026 0.000 1.220 390 L CA -0.200 54.632 54.840 -0.014 0.000 1.023 390 L CB -0.080 41.941 42.059 -0.063 0.000 1.355 390 L HN 0.225 nan 8.230 nan 0.000 0.545 391 D N 1.352 121.744 120.400 -0.013 0.000 2.882 391 D HA -0.220 4.423 4.640 0.004 0.000 0.229 391 D C 1.288 177.569 176.300 -0.033 0.000 1.167 391 D CA 0.927 54.913 54.000 -0.023 0.000 0.759 391 D CB -0.072 40.722 40.800 -0.010 0.000 1.088 391 D HN 0.548 nan 8.370 nan 0.000 0.425 392 R N -0.027 120.447 120.500 -0.042 0.000 2.161 392 R HA 0.084 4.426 4.340 0.004 0.000 0.213 392 R C 0.790 177.068 176.300 -0.037 0.000 1.055 392 R CA 0.472 56.548 56.100 -0.041 0.000 0.996 392 R CB 0.239 30.511 30.300 -0.046 0.000 0.901 392 R HN -0.056 nan 8.270 nan 0.000 0.456 393 K N 0.895 121.268 120.400 -0.045 0.000 2.316 393 K HA 0.180 4.502 4.320 0.004 0.000 0.251 393 K C -0.949 175.620 176.600 -0.052 0.000 0.934 393 K CA -0.667 55.593 56.287 -0.045 0.000 0.802 393 K CB 1.645 34.117 32.500 -0.047 0.000 1.171 393 K HN -0.162 nan 8.250 nan 0.000 0.426 394 D N 1.857 122.233 120.400 -0.039 0.000 2.443 394 D HA -0.095 4.548 4.640 0.004 0.000 0.234 394 D C 0.032 176.313 176.300 -0.032 0.000 1.172 394 D CA 0.551 54.532 54.000 -0.032 0.000 0.878 394 D CB 0.689 41.480 40.800 -0.014 0.000 1.204 394 D HN 0.362 nan 8.370 nan 0.000 0.453 395 Q N 0.646 120.434 119.800 -0.020 0.000 2.469 395 Q HA -0.056 4.287 4.340 0.004 0.000 0.279 395 Q C -0.557 175.483 176.000 0.067 0.000 1.097 395 Q CA 0.191 56.006 55.803 0.020 0.000 0.951 395 Q CB 0.552 29.311 28.738 0.036 0.000 1.297 395 Q HN 0.298 nan 8.270 nan 0.000 0.465 396 D N 1.882 122.361 120.400 0.131 0.000 2.295 396 D HA 0.011 4.653 4.640 0.004 0.000 0.248 396 D C -0.883 175.551 176.300 0.223 0.000 1.154 396 D CA -0.146 53.912 54.000 0.097 0.000 0.857 396 D CB 0.710 41.462 40.800 -0.081 0.000 1.117 396 D HN 0.374 nan 8.370 nan 0.000 0.468 397 D N 2.615 123.098 120.400 0.139 0.000 2.380 397 D HA -0.060 4.582 4.640 0.004 0.000 0.270 397 D C 0.524 176.868 176.300 0.074 0.000 1.363 397 D CA -0.032 54.020 54.000 0.087 0.000 1.057 397 D CB 0.222 41.045 40.800 0.038 0.000 1.096 397 D HN 0.170 nan 8.370 nan 0.000 0.524 398 R N 1.950 122.490 120.500 0.067 0.000 2.362 398 R HA 0.041 4.384 4.340 0.004 0.000 0.204 398 R C -0.016 176.289 176.300 0.008 0.000 1.088 398 R CA 0.403 56.549 56.100 0.076 0.000 1.121 398 R CB 0.171 30.519 30.300 0.079 0.000 0.954 398 R HN 0.224 nan 8.270 nan 0.000 0.478 399 D N -0.620 119.721 120.400 -0.098 0.000 2.895 399 D HA 0.018 4.661 4.640 0.004 0.000 0.350 399 D C -0.756 175.320 176.300 -0.373 0.000 1.389 399 D CA -0.190 53.687 54.000 -0.206 0.000 0.812 399 D CB 0.301 40.916 40.800 -0.309 0.000 1.164 399 D HN 0.157 nan 8.370 nan 0.000 0.455 400 H N 0.695 119.644 119.070 -0.200 0.000 2.517 400 H HA 0.075 4.634 4.556 0.004 0.000 0.317 400 H C 0.562 175.974 175.328 0.141 0.000 1.080 400 H CA -0.587 55.427 56.048 -0.057 0.000 1.301 400 H CB 0.705 30.466 29.762 -0.002 0.000 1.425 400 H HN -0.047 nan 8.280 nan 0.000 0.471 401 F N 3.666 123.783 119.950 0.279 0.000 2.250 401 F HA -0.064 4.465 4.527 0.004 0.000 0.301 401 F C 2.219 178.100 175.800 0.136 0.000 1.077 401 F CA 1.538 59.675 58.000 0.230 0.000 1.348 401 F CB -0.591 38.596 39.000 0.311 0.000 1.040 401 F HN 0.746 nan 8.300 nan 0.000 0.509 402 G N -0.594 108.357 108.800 0.252 0.000 2.535 402 G HA2 -0.231 3.731 3.960 0.004 0.000 0.218 402 G HA3 -0.231 3.731 3.960 0.004 0.000 0.218 402 G C 1.078 175.832 174.900 -0.243 0.000 1.122 402 G CA 0.363 45.387 45.100 -0.125 0.000 0.769 402 G HN 0.288 nan 8.290 nan 0.000 0.549 403 K N 0.414 120.727 120.400 -0.145 0.000 3.206 403 K HA 0.273 4.595 4.320 0.004 0.000 0.180 403 K C -0.662 175.874 176.600 -0.107 0.000 1.088 403 K CA -0.232 55.960 56.287 -0.158 0.000 0.872 403 K CB 0.639 33.085 32.500 -0.090 0.000 0.976 403 K HN 0.208 nan 8.250 nan 0.000 0.564 404 K N 0.430 120.725 120.400 -0.175 0.000 2.575 404 K HA 0.496 4.818 4.320 0.004 0.000 0.279 404 K C -0.797 175.641 176.600 -0.270 0.000 0.969 404 K CA -1.250 54.935 56.287 -0.170 0.000 0.868 404 K CB 1.955 34.386 32.500 -0.114 0.000 1.457 404 K HN -0.090 nan 8.250 nan 0.000 0.426 405 R N 0.877 121.257 120.500 -0.199 0.000 2.912 405 R HA 0.604 4.947 4.340 0.004 0.000 0.262 405 R C -0.572 175.639 176.300 -0.150 0.000 1.057 405 R CA -1.012 54.969 56.100 -0.198 0.000 0.981 405 R CB 0.870 31.091 30.300 -0.132 0.000 1.201 405 R HN 0.539 nan 8.270 nan 0.000 0.484 406 L N 0.790 121.935 121.223 -0.129 0.000 2.334 406 L HA 0.414 4.756 4.340 0.004 0.000 0.276 406 L C -0.456 176.377 176.870 -0.062 0.000 1.014 406 L CA -0.874 53.918 54.840 -0.081 0.000 0.815 406 L CB 1.575 43.594 42.059 -0.065 0.000 1.268 406 L HN 0.264 nan 8.230 nan 0.000 0.428 407 D N 2.785 123.150 120.400 -0.058 0.000 2.412 407 D HA 0.376 5.019 4.640 0.004 0.000 0.224 407 D C -0.213 176.041 176.300 -0.077 0.000 1.093 407 D CA -0.305 53.660 54.000 -0.058 0.000 0.850 407 D CB 1.810 42.579 40.800 -0.052 0.000 1.046 407 D HN 0.075 nan 8.370 nan 0.000 0.507 408 L N 1.614 122.800 121.223 -0.060 0.000 2.543 408 L HA 0.380 4.723 4.340 0.004 0.000 0.231 408 L C 1.835 178.665 176.870 -0.067 0.000 1.194 408 L CA -0.043 54.759 54.840 -0.064 0.000 0.823 408 L CB 0.231 42.269 42.059 -0.034 0.000 1.374 408 L HN 0.430 nan 8.230 nan 0.000 0.507 409 A N 0.676 123.476 122.820 -0.034 0.000 1.917 409 A HA -0.111 4.211 4.320 0.004 0.000 0.219 409 A C 1.961 179.552 177.584 0.012 0.000 1.182 409 A CA 1.894 53.945 52.037 0.024 0.000 0.633 409 A CB -1.540 17.557 19.000 0.162 0.000 0.819 409 A HN 0.906 nan 8.150 nan 0.000 0.448 410 G N 0.263 109.074 108.800 0.018 0.000 2.908 410 G HA2 -0.302 3.660 3.960 0.004 0.000 0.218 410 G HA3 -0.302 3.660 3.960 0.004 0.000 0.218 410 G C -0.273 174.459 174.900 -0.279 0.000 1.311 410 G CA 1.514 46.520 45.100 -0.156 0.000 0.787 410 G HN 0.438 nan 8.290 nan 0.000 0.700 411 P HA -0.090 nan 4.420 nan 0.000 0.220 411 P C 1.626 178.924 177.300 -0.003 0.000 1.142 411 P CA 1.002 64.072 63.100 -0.051 0.000 0.801 411 P CB -0.109 31.579 31.700 -0.020 0.000 0.764 412 L N -2.911 118.307 121.223 -0.008 0.000 2.286 412 L HA 0.009 4.351 4.340 0.004 0.000 0.203 412 L C 2.302 179.475 176.870 0.505 0.000 1.068 412 L CA 0.550 55.531 54.840 0.234 0.000 0.811 412 L CB -0.985 41.080 42.059 0.011 0.000 0.989 412 L HN -0.111 nan 8.230 nan 0.000 0.467 413 L N 0.416 121.795 121.223 0.261 0.000 1.991 413 L HA -0.362 3.980 4.340 0.004 0.000 0.221 413 L C 2.896 179.810 176.870 0.073 0.000 1.079 413 L CA 1.882 56.784 54.840 0.103 0.000 0.778 413 L CB -0.857 40.986 42.059 -0.360 0.000 0.893 413 L HN 0.383 nan 8.230 nan 0.000 0.437 414 A N 0.230 122.923 122.820 -0.212 0.000 1.927 414 A HA -0.281 4.041 4.320 0.004 0.000 0.220 414 A C 1.920 179.616 177.584 0.187 0.000 1.185 414 A CA 2.185 54.275 52.037 0.089 0.000 0.639 414 A CB -0.688 18.299 19.000 -0.022 0.000 0.820 414 A HN 0.711 nan 8.150 nan 0.000 0.451 415 Q N -0.914 118.995 119.800 0.182 0.000 2.373 415 Q HA 0.401 4.743 4.340 0.004 0.000 0.206 415 Q C 1.097 177.142 176.000 0.074 0.000 0.942 415 Q CA 0.335 56.226 55.803 0.146 0.000 0.953 415 Q CB -0.156 28.672 28.738 0.149 0.000 1.022 415 Q HN 0.569 nan 8.270 nan 0.000 0.502 416 L N -1.137 120.118 121.223 0.053 0.000 2.556 416 L HA 0.159 4.501 4.340 0.004 0.000 0.226 416 L C 1.381 178.260 176.870 0.014 0.000 1.089 416 L CA 0.080 54.885 54.840 -0.058 0.000 0.864 416 L CB 0.113 42.081 42.059 -0.150 0.000 1.067 416 L HN 0.220 nan 8.230 nan 0.000 0.477 417 F N 0.849 120.824 119.950 0.043 0.000 2.163 417 F HA -0.120 4.409 4.527 0.004 0.000 0.297 417 F C 2.094 177.941 175.800 0.078 0.000 1.094 417 F CA 1.329 59.361 58.000 0.053 0.000 1.290 417 F CB -0.077 38.991 39.000 0.113 0.000 1.017 417 F HN -0.107 nan 8.300 nan 0.000 0.483 418 K N 0.047 120.381 120.400 -0.111 0.000 1.983 418 K HA -0.179 4.143 4.320 0.004 0.000 0.225 418 K C 1.774 178.316 176.600 -0.095 0.000 1.030 418 K CA 2.297 58.546 56.287 -0.064 0.000 1.027 418 K CB -1.522 31.010 32.500 0.053 0.000 0.757 418 K HN 0.205 nan 8.250 nan 0.000 0.444 419 T N 1.407 115.932 114.554 -0.048 0.000 3.022 419 T HA -0.231 4.121 4.350 0.004 0.000 0.252 419 T C 1.781 176.411 174.700 -0.116 0.000 1.020 419 T CA 2.068 64.124 62.100 -0.074 0.000 1.177 419 T CB -0.547 68.286 68.868 -0.058 0.000 0.801 419 T HN 0.182 nan 8.240 nan 0.000 0.515 420 L N -1.563 119.559 121.223 -0.168 0.000 2.467 420 L HA 0.398 4.740 4.340 0.004 0.000 0.213 420 L C 2.003 178.766 176.870 -0.180 0.000 1.053 420 L CA 0.088 54.837 54.840 -0.151 0.000 0.847 420 L CB -0.485 41.506 42.059 -0.112 0.000 1.075 420 L HN 0.059 nan 8.230 nan 0.000 0.479 421 F N 1.428 121.039 119.950 -0.566 0.000 2.411 421 F HA -0.199 4.330 4.527 0.003 0.000 0.299 421 F C 2.167 177.783 175.800 -0.307 0.000 1.077 421 F CA 1.402 59.065 58.000 -0.562 0.000 1.439 421 F CB -0.214 38.266 39.000 -0.866 0.000 1.085 421 F HN -0.068 nan 8.300 nan 0.000 0.564 422 K N -0.023 120.205 120.400 -0.287 0.000 2.044 422 K HA -0.111 4.212 4.320 0.004 0.000 0.204 422 K C 2.201 178.674 176.600 -0.212 0.000 1.045 422 K CA 0.937 57.078 56.287 -0.243 0.000 0.951 422 K CB -0.067 32.358 32.500 -0.124 0.000 0.738 422 K HN 0.173 nan 8.250 nan 0.000 0.443 423 K N 1.308 121.612 120.400 -0.161 0.000 1.985 423 K HA -0.124 4.198 4.320 0.004 0.000 0.210 423 K C 2.217 178.747 176.600 -0.116 0.000 1.047 423 K CA 1.307 57.521 56.287 -0.121 0.000 0.932 423 K CB -0.258 32.187 32.500 -0.092 0.000 0.716 423 K HN 0.113 nan 8.250 nan 0.000 0.439 424 L N 0.177 121.326 121.223 -0.122 0.000 2.189 424 L HA -0.206 4.136 4.340 0.004 0.000 0.214 424 L C 2.096 178.899 176.870 -0.111 0.000 1.097 424 L CA 1.908 56.703 54.840 -0.075 0.000 0.764 424 L CB -0.755 41.285 42.059 -0.032 0.000 0.900 424 L HN 0.097 nan 8.230 nan 0.000 0.436 425 T N 0.253 114.653 114.554 -0.256 0.000 2.833 425 T HA -0.162 4.190 4.350 0.004 0.000 0.269 425 T C 1.364 176.045 174.700 -0.031 0.000 1.054 425 T CA 1.676 63.634 62.100 -0.237 0.000 1.135 425 T CB -0.139 68.427 68.868 -0.502 0.000 0.869 425 T HN 0.614 nan 8.240 nan 0.000 0.466 426 K N 0.088 120.470 120.400 -0.030 0.000 3.010 426 K HA 0.195 4.517 4.320 0.004 0.000 0.211 426 K C -0.230 176.396 176.600 0.045 0.000 1.146 426 K CA -0.178 56.140 56.287 0.052 0.000 1.070 426 K CB 0.475 32.954 32.500 -0.035 0.000 0.908 426 K HN 0.068 nan 8.250 nan 0.000 0.463 427 D N 0.416 120.840 120.400 0.041 0.000 2.441 427 D HA 0.124 4.766 4.640 0.004 0.000 0.210 427 D C 1.165 177.511 176.300 0.077 0.000 1.102 427 D CA 0.013 54.039 54.000 0.043 0.000 0.840 427 D CB 0.692 41.510 40.800 0.030 0.000 0.990 427 D HN 0.276 nan 8.370 nan 0.000 0.505 428 I N 0.152 120.773 120.570 0.084 0.000 3.265 428 I HA -0.017 4.155 4.170 0.004 0.000 0.282 428 I C 1.789 177.987 176.117 0.135 0.000 1.207 428 I CA 0.273 61.623 61.300 0.083 0.000 1.449 428 I CB -0.466 37.572 38.000 0.063 0.000 1.121 428 I HN -0.089 nan 8.210 nan 0.000 0.442 429 F N 2.224 122.177 119.950 0.003 0.000 2.307 429 F HA -0.231 4.298 4.527 0.004 0.000 0.301 429 F C 1.977 177.791 175.800 0.024 0.000 1.076 429 F CA 1.311 59.313 58.000 0.004 0.000 1.383 429 F CB 0.099 39.095 39.000 -0.007 0.000 1.055 429 F HN 0.044 nan 8.300 nan 0.000 0.526 430 R N -1.594 119.021 120.500 0.191 0.000 2.362 430 R HA 0.056 4.398 4.340 0.004 0.000 0.227 430 R C 1.388 177.794 176.300 0.177 0.000 0.905 430 R CA 0.546 56.737 56.100 0.153 0.000 1.067 430 R CB -1.144 29.225 30.300 0.116 0.000 1.078 430 R HN 0.570 nan 8.270 nan 0.000 0.516 431 Y N 0.646 120.970 120.300 0.040 0.000 2.586 431 Y HA -0.057 4.495 4.550 0.004 0.000 0.240 431 Y C 1.780 177.693 175.900 0.023 0.000 0.998 431 Y CA 0.344 58.460 58.100 0.027 0.000 1.019 431 Y CB -0.340 38.136 38.460 0.027 0.000 1.047 431 Y HN -0.172 nan 8.280 nan 0.000 0.468 432 M N 0.322 120.135 119.600 0.355 0.000 2.104 432 M HA -0.494 3.988 4.480 0.004 0.000 0.241 432 M C 1.785 178.124 176.300 0.065 0.000 0.970 432 M CA 2.632 58.021 55.300 0.147 0.000 0.966 432 M CB -0.426 32.213 32.600 0.064 0.000 1.477 432 M HN 0.656 nan 8.290 nan 0.000 0.360 433 Q N -1.301 118.548 119.800 0.080 0.000 2.123 433 Q HA -0.028 4.314 4.340 0.004 0.000 0.196 433 Q C 1.635 177.656 176.000 0.035 0.000 0.958 433 Q CA 1.233 57.074 55.803 0.065 0.000 0.841 433 Q CB 0.149 28.949 28.738 0.103 0.000 0.915 433 Q HN 0.520 nan 8.270 nan 0.000 0.455 434 R N -0.700 119.821 120.500 0.034 0.000 2.310 434 R HA 0.103 4.445 4.340 0.004 0.000 0.202 434 R C 1.677 177.952 176.300 -0.042 0.000 0.933 434 R CA 0.802 56.902 56.100 -0.000 0.000 1.054 434 R CB 0.195 30.499 30.300 0.006 0.000 0.985 434 R HN 0.110 nan 8.270 nan 0.000 0.489 435 T N 0.483 115.014 114.554 -0.039 0.000 2.777 435 T HA -0.117 4.235 4.350 0.004 0.000 0.266 435 T C 1.731 176.394 174.700 -0.061 0.000 1.040 435 T CA 1.626 63.673 62.100 -0.088 0.000 1.141 435 T CB -0.178 68.661 68.868 -0.047 0.000 0.868 435 T HN 0.194 nan 8.240 nan 0.000 0.444 436 V N -1.234 118.660 119.914 -0.033 0.000 0.660 436 V HA -0.470 3.652 4.120 0.004 0.000 0.092 436 V C 0.907 176.983 176.094 -0.030 0.000 1.212 436 V CA 1.993 64.277 62.300 -0.027 0.000 3.197 436 V CB -2.328 29.482 31.823 -0.021 0.000 0.416 436 V HN 0.655 nan 8.190 nan 0.000 0.405 447 A N 2.098 124.687 122.820 -0.385 0.000 2.079 447 A HA -0.242 4.080 4.320 0.004 0.000 0.230 447 A C 0.671 178.070 177.584 -0.308 0.000 0.537 447 A CA 1.231 52.814 52.037 -0.757 0.000 1.134 447 A CB -1.778 15.705 19.000 -2.530 0.000 1.423 447 A HN 0.591 nan 8.150 nan 0.000 0.706 448 I N 1.843 122.281 120.570 -0.220 0.000 3.252 448 I HA -0.129 4.043 4.170 0.004 0.000 0.331 448 I C 0.908 177.035 176.117 0.016 0.000 1.237 448 I CA 1.267 62.546 61.300 -0.035 0.000 1.436 448 I CB -0.868 37.154 38.000 0.036 0.000 1.338 448 I HN 0.596 nan 8.210 nan 0.000 0.512 449 N N 6.491 125.208 118.700 0.029 0.000 3.243 449 N HA 0.140 4.882 4.740 0.004 0.000 0.310 449 N C 1.153 176.709 175.510 0.076 0.000 1.313 449 N CA 0.613 53.696 53.050 0.054 0.000 1.204 449 N CB 0.001 38.512 38.487 0.039 0.000 1.483 449 N HN 0.701 nan 8.380 nan 0.000 0.553 450 A N 2.603 125.501 122.820 0.131 0.000 2.262 450 A HA -0.421 3.901 4.320 0.004 0.000 0.280 450 A C 1.953 179.539 177.584 0.003 0.000 3.215 450 A CA 2.397 54.498 52.037 0.107 0.000 1.023 450 A CB -1.446 17.742 19.000 0.313 0.000 0.585 450 A HN 0.655 nan 8.150 nan 0.000 0.462 451 K N -1.947 118.473 120.400 0.032 0.000 2.200 451 K HA -0.396 3.926 4.320 0.004 0.000 0.206 451 K C 1.719 178.320 176.600 0.003 0.000 0.782 451 K CA 3.501 59.803 56.287 0.025 0.000 1.047 451 K CB -1.625 30.910 32.500 0.057 0.000 0.989 451 K HN 0.726 nan 8.250 nan 0.000 0.595 452 T N 1.551 116.107 114.554 0.005 0.000 2.202 452 T HA -0.285 4.067 4.350 0.004 0.000 0.191 452 T C 1.965 176.651 174.700 -0.023 0.000 1.646 452 T CA 3.225 65.316 62.100 -0.017 0.000 0.997 452 T CB -0.690 68.167 68.868 -0.019 0.000 0.802 452 T HN 0.461 nan 8.240 nan 0.000 0.437 453 I N 0.525 121.088 120.570 -0.011 0.000 2.113 453 I HA -0.183 3.989 4.170 0.004 0.000 0.238 453 I C 2.739 178.852 176.117 -0.007 0.000 1.070 453 I CA 1.717 63.027 61.300 0.017 0.000 1.332 453 I CB -0.559 37.482 38.000 0.069 0.000 1.044 453 I HN 0.344 nan 8.210 nan 0.000 0.402 454 T N -0.320 114.205 114.554 -0.048 0.000 2.946 454 T HA -0.136 4.216 4.350 0.004 0.000 0.271 454 T C 1.629 176.313 174.700 -0.026 0.000 1.104 454 T CA 1.589 63.647 62.100 -0.070 0.000 1.114 454 T CB -0.291 68.503 68.868 -0.123 0.000 0.867 454 T HN 0.520 nan 8.240 nan 0.000 0.513 455 S N -0.347 115.348 115.700 -0.009 0.000 2.578 455 S HA 0.385 4.857 4.470 0.004 0.000 0.231 455 S C 1.800 176.403 174.600 0.005 0.000 0.994 455 S CA 0.151 58.356 58.200 0.008 0.000 0.956 455 S CB 0.398 63.604 63.200 0.011 0.000 0.870 455 S HN 0.395 nan 8.310 nan 0.000 0.494 456 G N 2.570 111.360 108.800 -0.017 0.000 2.610 456 G HA2 0.136 4.098 3.960 0.004 0.000 0.215 456 G HA3 0.136 4.098 3.960 0.004 0.000 0.215 456 G C 1.235 176.117 174.900 -0.030 0.000 1.243 456 G CA 0.439 45.511 45.100 -0.047 0.000 0.847 456 G HN 0.374 nan 8.290 nan 0.000 0.560 457 L N 0.339 121.537 121.223 -0.042 0.000 2.143 457 L HA -0.351 3.991 4.340 0.004 0.000 0.231 457 L C 2.946 179.802 176.870 -0.023 0.000 1.106 457 L CA 2.295 57.102 54.840 -0.055 0.000 0.827 457 L CB -0.448 41.595 42.059 -0.026 0.000 0.915 457 L HN 0.286 nan 8.230 nan 0.000 0.448 458 K N -1.423 118.990 120.400 0.022 0.000 2.148 458 K HA -0.216 4.106 4.320 0.004 0.000 0.204 458 K C 1.976 178.649 176.600 0.121 0.000 1.050 458 K CA 1.762 58.084 56.287 0.060 0.000 0.942 458 K CB -0.197 32.341 32.500 0.063 0.000 0.724 458 K HN 0.412 nan 8.250 nan 0.000 0.446 459 Y N 0.298 120.581 120.300 -0.028 0.000 2.365 459 Y HA 0.014 4.566 4.550 0.004 0.000 0.293 459 Y C 2.025 177.919 175.900 -0.009 0.000 1.119 459 Y CA 0.837 58.933 58.100 -0.006 0.000 1.203 459 Y CB 0.040 38.492 38.460 -0.014 0.000 1.026 459 Y HN -0.027 nan 8.280 nan 0.000 0.549 460 A N 0.768 123.689 122.820 0.169 0.000 1.855 460 A HA -0.153 4.169 4.320 0.004 0.000 0.215 460 A C 1.982 179.644 177.584 0.130 0.000 1.191 460 A CA 1.548 53.596 52.037 0.019 0.000 0.613 460 A CB -1.209 17.522 19.000 -0.449 0.000 0.829 460 A HN 0.481 nan 8.150 nan 0.000 0.442 461 L N -0.447 120.853 121.223 0.128 0.000 2.211 461 L HA -0.255 4.087 4.340 0.004 0.000 0.216 461 L C 2.675 179.640 176.870 0.159 0.000 1.092 461 L CA 1.896 56.864 54.840 0.214 0.000 0.767 461 L CB -0.480 41.638 42.059 0.098 0.000 0.894 461 L HN 0.440 nan 8.230 nan 0.000 0.437 462 A N -3.005 119.863 122.820 0.081 0.000 1.984 462 A HA 0.019 4.341 4.320 0.004 0.000 0.214 462 A C 2.041 179.599 177.584 -0.043 0.000 1.173 462 A CA 1.492 53.543 52.037 0.023 0.000 0.673 462 A CB -0.305 18.697 19.000 0.002 0.000 0.830 462 A HN 0.423 nan 8.150 nan 0.000 0.453 463 T N -2.243 112.239 114.554 -0.119 0.000 3.535 463 T HA 0.477 4.830 4.350 0.004 0.000 0.223 463 T C 1.465 176.152 174.700 -0.021 0.000 0.933 463 T CA 0.985 62.993 62.100 -0.153 0.000 1.445 463 T CB 0.059 68.676 68.868 -0.419 0.000 1.286 463 T HN 0.888 nan 8.240 nan 0.000 0.436 464 G N 0.800 109.615 108.800 0.025 0.000 3.827 464 G HA2 -0.050 3.912 3.960 0.004 0.000 0.218 464 G HA3 -0.050 3.912 3.960 0.004 0.000 0.218 464 G C -0.203 174.759 174.900 0.103 0.000 0.892 464 G CA -0.480 44.655 45.100 0.058 0.000 0.857 464 G HN 0.359 nan 8.290 nan 0.000 0.508 465 N N 1.230 119.971 118.700 0.068 0.000 3.025 465 N HA 0.128 4.870 4.740 0.004 0.000 0.315 465 N C -0.385 175.263 175.510 0.229 0.000 1.511 465 N CA -0.576 52.564 53.050 0.150 0.000 1.097 465 N CB 0.347 38.914 38.487 0.134 0.000 1.395 465 N HN 0.400 nan 8.380 nan 0.000 0.511 466 W N 2.361 123.699 121.300 0.063 0.000 2.009 466 W HA 0.122 4.784 4.660 0.003 0.000 0.518 466 W C 0.427 176.982 176.519 0.059 0.000 0.805 466 W CA 0.836 58.219 57.345 0.064 0.000 2.048 466 W CB -0.847 28.642 29.460 0.047 0.000 1.594 466 W HN 0.510 nan 8.180 nan 0.000 0.265 467 G N 4.177 113.086 108.800 0.181 0.000 3.391 467 G HA2 -0.213 3.749 3.960 0.004 0.000 0.675 467 G HA3 -0.213 3.749 3.960 0.004 0.000 0.675 467 G C -0.244 174.624 174.900 -0.053 0.000 0.899 467 G CA 0.212 45.255 45.100 -0.096 0.000 0.755 467 G HN 0.612 nan 8.290 nan 0.000 0.475 468 E N 0.188 120.367 120.200 -0.035 0.000 8.064 468 E HA -0.274 4.078 4.350 0.004 0.000 0.466 468 E C 1.751 178.310 176.600 -0.068 0.000 0.773 468 E CA 1.218 57.572 56.400 -0.076 0.000 1.348 468 E CB 0.051 29.672 29.700 -0.131 0.000 0.986 468 E HN 1.777 nan 8.360 nan 0.000 0.265 469 Q N 2.827 122.510 119.800 -0.196 0.000 2.444 469 Q HA -0.435 3.907 4.340 0.004 0.000 0.296 469 Q C 1.243 177.220 176.000 -0.039 0.000 1.005 469 Q CA 2.643 58.336 55.803 -0.183 0.000 0.970 469 Q CB -0.661 27.982 28.738 -0.158 0.000 0.957 469 Q HN 0.687 nan 8.270 nan 0.000 0.593 470 K N 0.879 121.264 120.400 -0.026 0.000 3.074 470 K HA -0.436 3.887 4.320 0.004 0.000 0.194 470 K C 0.975 177.590 176.600 0.026 0.000 0.817 470 K CA 3.027 59.314 56.287 0.000 0.000 0.879 470 K CB -0.429 32.071 32.500 -0.001 0.000 1.612 470 K HN 0.681 nan 8.250 nan 0.000 0.587 471 K N -5.461 114.967 120.400 0.046 0.000 2.939 471 K HA -0.026 4.296 4.320 0.004 0.000 0.353 471 K C 1.175 177.825 176.600 0.083 0.000 0.756 471 K CA 0.633 56.970 56.287 0.084 0.000 1.488 471 K CB -1.404 31.144 32.500 0.080 0.000 1.097 471 K HN 0.187 nan 8.250 nan 0.000 0.607 472 A N 2.199 125.052 122.820 0.055 0.000 2.028 472 A HA -0.368 3.954 4.320 0.004 0.000 0.296 472 A C 1.186 178.805 177.584 0.059 0.000 3.464 472 A CA 2.754 54.820 52.037 0.048 0.000 1.008 472 A CB -1.297 17.728 19.000 0.041 0.000 0.658 472 A HN 0.459 nan 8.150 nan 0.000 0.482 473 M N 0.857 120.496 119.600 0.066 0.000 2.640 473 M HA -0.188 4.294 4.480 0.004 0.000 0.177 473 M C 1.233 177.594 176.300 0.102 0.000 1.181 473 M CA 0.572 55.926 55.300 0.091 0.000 0.671 473 M CB -0.722 31.936 32.600 0.097 0.000 1.205 473 M HN 0.714 nan 8.290 nan 0.000 0.786 474 S N -1.626 114.125 115.700 0.085 0.000 2.470 474 S HA -0.085 4.387 4.470 0.004 0.000 0.225 474 S C 1.770 176.421 174.600 0.084 0.000 1.006 474 S CA 0.410 58.653 58.200 0.072 0.000 0.934 474 S CB 0.072 63.305 63.200 0.056 0.000 0.778 474 S HN 0.844 nan 8.310 nan 0.000 0.517 475 S N 3.537 119.301 115.700 0.107 0.000 2.771 475 S HA -0.537 3.935 4.470 0.004 0.000 0.374 475 S C 1.411 176.076 174.600 0.109 0.000 1.400 475 S CA 2.857 61.143 58.200 0.144 0.000 1.245 475 S CB -1.383 61.953 63.200 0.227 0.000 1.345 475 S HN 0.661 nan 8.310 nan 0.000 0.463 476 R N 1.124 121.690 120.500 0.110 0.000 3.920 476 R HA -0.281 4.061 4.340 0.004 0.000 0.289 476 R C 1.616 177.956 176.300 0.067 0.000 1.308 476 R CA 1.151 57.302 56.100 0.084 0.000 0.995 476 R CB -2.135 28.200 30.300 0.059 0.000 1.317 476 R HN 0.937 nan 8.270 nan 0.000 0.572 477 A N 1.142 123.999 122.820 0.061 0.000 2.348 477 A HA -0.036 4.286 4.320 0.004 0.000 0.205 477 A C 1.483 179.087 177.584 0.033 0.000 1.325 477 A CA 1.013 53.066 52.037 0.026 0.000 0.784 477 A CB -1.254 17.729 19.000 -0.028 0.000 0.748 477 A HN 0.705 nan 8.150 nan 0.000 0.537 478 G N -0.478 108.351 108.800 0.047 0.000 2.158 478 G HA2 -0.078 3.884 3.960 0.004 0.000 0.257 478 G HA3 -0.078 3.884 3.960 0.004 0.000 0.257 478 G C 0.202 175.109 174.900 0.012 0.000 0.811 478 G CA 0.429 45.553 45.100 0.039 0.000 1.178 478 G HN 0.902 nan 8.290 nan 0.000 0.389 479 V N 0.771 120.690 119.914 0.008 0.000 3.295 479 V HA 0.783 4.905 4.120 0.004 0.000 0.308 479 V C 1.189 177.255 176.094 -0.047 0.000 1.068 479 V CA 0.125 62.361 62.300 -0.106 0.000 1.062 479 V CB 1.412 33.059 31.823 -0.294 0.000 1.162 479 V HN 2.015 nan 8.190 nan 0.000 0.456 480 S N 1.335 116.995 115.700 -0.067 0.000 3.024 480 S HA -0.122 4.350 4.470 0.004 0.000 0.819 480 S C -0.764 173.872 174.600 0.060 0.000 0.863 480 S CA 0.524 58.753 58.200 0.047 0.000 1.423 480 S CB -0.762 62.532 63.200 0.157 0.000 1.032 480 S HN 0.927 nan 8.310 nan 0.000 0.510 481 Q N 1.663 121.506 119.800 0.071 0.000 2.685 481 Q HA 0.551 4.893 4.340 0.004 0.000 0.301 481 Q C -0.394 175.669 176.000 0.106 0.000 0.924 481 Q CA -0.558 55.302 55.803 0.095 0.000 0.755 481 Q CB 1.721 30.566 28.738 0.178 0.000 1.470 481 Q HN 1.335 nan 8.270 nan 0.000 0.434 482 V N 0.191 120.153 119.914 0.079 0.000 2.125 482 V HA 0.367 4.489 4.120 0.004 0.000 0.263 482 V C 0.319 176.426 176.094 0.021 0.000 1.365 482 V CA -0.242 62.084 62.300 0.043 0.000 1.276 482 V CB -1.117 30.711 31.823 0.008 0.000 1.350 482 V HN 0.787 nan 8.190 nan 0.000 0.487 483 L N 1.518 122.794 121.223 0.088 0.000 2.218 483 L HA -0.282 4.060 4.340 0.004 0.000 0.365 483 L C 0.714 177.571 176.870 -0.023 0.000 1.198 483 L CA 1.453 56.383 54.840 0.149 0.000 1.228 483 L CB -0.044 41.900 42.059 -0.192 0.000 0.703 483 L HN 0.806 nan 8.230 nan 0.000 0.396 484 N N -0.809 117.830 118.700 -0.100 0.000 2.741 484 N HA 0.640 5.382 4.740 0.004 0.000 0.310 484 N C -1.116 174.268 175.510 -0.210 0.000 1.295 484 N CA -0.557 52.378 53.050 -0.192 0.000 0.893 484 N CB 1.345 39.730 38.487 -0.170 0.000 1.247 484 N HN 0.383 nan 8.380 nan 0.000 0.596 485 R N 0.218 120.556 120.500 -0.269 0.000 2.570 485 R HA 0.184 4.526 4.340 0.004 0.000 0.246 485 R C -0.504 175.545 176.300 -0.419 0.000 1.417 485 R CA -0.159 55.677 56.100 -0.440 0.000 1.525 485 R CB -0.276 29.500 30.300 -0.873 0.000 1.403 485 R HN 0.538 nan 8.270 nan 0.000 0.754 486 Y N -0.259 119.894 120.300 -0.244 0.000 2.397 486 Y HA 0.240 4.792 4.550 0.003 0.000 0.292 486 Y C 0.234 176.130 175.900 -0.007 0.000 1.115 486 Y CA 0.998 59.014 58.100 -0.140 0.000 1.208 486 Y CB 1.194 39.583 38.460 -0.119 0.000 1.046 486 Y HN -0.026 nan 8.280 nan 0.000 0.552 487 T N -0.033 114.622 114.554 0.168 0.000 3.293 487 T HA 0.111 4.463 4.350 0.004 0.000 0.320 487 T C -0.563 174.275 174.700 0.230 0.000 0.995 487 T CA -0.753 61.481 62.100 0.224 0.000 1.041 487 T CB 0.649 69.657 68.868 0.233 0.000 1.058 487 T HN 0.143 nan 8.240 nan 0.000 0.453 488 Y N 3.640 124.028 120.300 0.146 0.000 1.807 488 Y HA -0.412 4.140 4.550 0.003 0.000 0.160 488 Y C 2.697 178.642 175.900 0.075 0.000 1.054 488 Y CA 3.076 61.225 58.100 0.081 0.000 0.792 488 Y CB -1.162 37.309 38.460 0.018 0.000 0.659 488 Y HN 0.771 nan 8.280 nan 0.000 0.624 489 S N -1.003 114.824 115.700 0.212 0.000 2.497 489 S HA -0.254 4.218 4.470 0.004 0.000 0.260 489 S C 1.735 176.326 174.600 -0.015 0.000 0.988 489 S CA 1.604 59.840 58.200 0.061 0.000 0.967 489 S CB -0.980 62.273 63.200 0.087 0.000 0.741 489 S HN 0.661 nan 8.310 nan 0.000 0.521 490 S N -0.585 115.112 115.700 -0.006 0.000 2.524 490 S HA 0.110 4.582 4.470 0.004 0.000 0.222 490 S C 1.540 176.106 174.600 -0.057 0.000 1.040 490 S CA 0.321 58.504 58.200 -0.029 0.000 0.915 490 S CB -0.646 62.546 63.200 -0.014 0.000 0.831 490 S HN 0.369 nan 8.310 nan 0.000 0.492 491 T N 3.365 117.861 114.554 -0.096 0.000 2.929 491 T HA 0.152 4.504 4.350 0.004 0.000 0.271 491 T C 1.524 176.125 174.700 -0.166 0.000 1.085 491 T CA 1.143 63.166 62.100 -0.129 0.000 1.125 491 T CB -0.513 68.272 68.868 -0.139 0.000 0.874 491 T HN 0.317 nan 8.240 nan 0.000 0.494 492 L N 0.507 121.594 121.223 -0.226 0.000 1.948 492 L HA -0.126 4.216 4.340 0.004 0.000 0.212 492 L C 2.815 179.615 176.870 -0.116 0.000 1.074 492 L CA 1.320 56.045 54.840 -0.192 0.000 0.753 492 L CB -0.948 41.006 42.059 -0.174 0.000 0.888 492 L HN 0.206 nan 8.230 nan 0.000 0.432 493 S N -1.444 114.204 115.700 -0.087 0.000 2.413 493 S HA -0.315 4.157 4.470 0.004 0.000 0.237 493 S C 1.951 176.558 174.600 0.012 0.000 1.044 493 S CA 1.526 59.701 58.200 -0.042 0.000 1.024 493 S CB -0.526 62.657 63.200 -0.029 0.000 0.829 493 S HN 0.491 nan 8.310 nan 0.000 0.475 494 H N -0.246 118.754 119.070 -0.116 0.000 2.539 494 H HA 0.214 4.772 4.556 0.004 0.000 0.267 494 H C 1.718 176.984 175.328 -0.104 0.000 0.982 494 H CA 0.274 56.258 56.048 -0.106 0.000 1.146 494 H CB 0.088 29.782 29.762 -0.114 0.000 1.382 494 H HN 0.381 nan 8.280 nan 0.000 0.577 495 L N -0.122 120.982 121.223 -0.199 0.000 2.127 495 L HA -0.001 4.341 4.340 0.004 0.000 0.203 495 L C 1.861 178.629 176.870 -0.170 0.000 1.080 495 L CA 0.709 55.420 54.840 -0.214 0.000 0.768 495 L CB -0.111 41.861 42.059 -0.144 0.000 0.924 495 L HN 0.096 nan 8.230 nan 0.000 0.444 496 R N -0.393 120.035 120.500 -0.120 0.000 2.423 496 R HA 0.073 4.416 4.340 0.004 0.000 0.248 496 R C 0.781 177.034 176.300 -0.078 0.000 1.019 496 R CA -0.112 55.933 56.100 -0.091 0.000 1.119 496 R CB 0.125 30.381 30.300 -0.073 0.000 1.176 496 R HN 0.239 nan 8.270 nan 0.000 0.526 497 R N -0.604 119.844 120.500 -0.088 0.000 2.748 497 R HA 0.415 4.758 4.340 0.004 0.000 0.220 497 R C -0.698 175.565 176.300 -0.061 0.000 1.404 497 R CA -0.225 55.840 56.100 -0.059 0.000 1.039 497 R CB 1.504 31.792 30.300 -0.021 0.000 1.904 497 R HN -0.082 nan 8.270 nan 0.000 0.529 498 T N -0.002 114.528 114.554 -0.041 0.000 3.094 498 T HA 0.199 4.551 4.350 0.004 0.000 0.373 498 T C -2.027 172.664 174.700 -0.014 0.000 1.806 498 T CA -0.831 61.252 62.100 -0.028 0.000 1.107 498 T CB 1.101 69.965 68.868 -0.007 0.000 1.632 498 T HN 0.824 nan 8.240 nan 0.000 0.488 499 N N 0.232 118.925 118.700 -0.012 0.000 2.708 499 N HA 0.739 5.481 4.740 0.004 0.000 0.257 499 N C -1.959 173.554 175.510 0.006 0.000 1.373 499 N CA -0.487 52.561 53.050 -0.003 0.000 0.843 499 N CB 2.278 40.759 38.487 -0.009 0.000 1.503 499 N HN 0.484 nan 8.380 nan 0.000 0.504 500 T N 1.898 116.461 114.554 0.015 0.000 3.578 500 T HA 0.400 4.752 4.350 0.004 0.000 0.329 500 T C -2.755 171.958 174.700 0.022 0.000 0.913 500 T CA -0.564 61.552 62.100 0.027 0.000 1.029 500 T CB 1.406 70.301 68.868 0.045 0.000 1.045 500 T HN 0.633 nan 8.240 nan 0.000 0.460 501 P HA 0.483 nan 4.420 nan 0.000 0.272 501 P C 0.220 177.533 177.300 0.021 0.000 1.248 501 P CA -0.099 63.014 63.100 0.020 0.000 0.799 501 P CB 0.926 32.640 31.700 0.023 0.000 0.997 510 K N 0.803 121.179 120.400 -0.041 0.000 3.200 510 K HA 0.298 4.620 4.320 0.004 0.000 0.179 510 K C -2.591 174.008 176.600 -0.002 0.000 1.153 510 K CA -0.638 55.638 56.287 -0.019 0.000 0.836 510 K CB 2.029 34.517 32.500 -0.021 0.000 1.051 510 K HN 0.343 nan 8.250 nan 0.000 0.594 511 P HA -0.046 nan 4.420 nan 0.000 0.245 511 P C 0.122 177.453 177.300 0.053 0.000 1.212 511 P CA 0.277 63.398 63.100 0.036 0.000 0.774 511 P CB 0.268 31.992 31.700 0.040 0.000 0.999 512 R N -1.177 119.344 120.500 0.036 0.000 2.312 512 R HA 0.203 4.545 4.340 0.004 0.000 0.205 512 R C 0.777 177.104 176.300 0.046 0.000 0.904 512 R CA -0.276 55.846 56.100 0.036 0.000 1.052 512 R CB -0.352 29.958 30.300 0.017 0.000 1.014 512 R HN 0.130 nan 8.270 nan 0.000 0.503 513 Q N 2.037 121.866 119.800 0.049 0.000 2.289 513 Q HA 0.075 4.417 4.340 0.004 0.000 0.273 513 Q C -0.570 175.478 176.000 0.079 0.000 1.029 513 Q CA -0.166 55.666 55.803 0.049 0.000 0.896 513 Q CB 0.754 29.517 28.738 0.042 0.000 1.182 513 Q HN 0.135 nan 8.270 nan 0.000 0.385 514 L N 3.979 125.241 121.223 0.065 0.000 2.485 514 L HA 0.176 4.519 4.340 0.004 0.000 0.275 514 L C -1.076 175.830 176.870 0.059 0.000 1.207 514 L CA 0.538 55.448 54.840 0.118 0.000 0.855 514 L CB 0.413 42.513 42.059 0.069 0.000 1.114 514 L HN 0.700 nan 8.230 nan 0.000 0.485 515 H N 3.111 122.102 119.070 -0.132 0.000 2.538 515 H HA 0.415 4.973 4.556 0.004 0.000 0.353 515 H C 0.816 175.950 175.328 -0.323 0.000 1.109 515 H CA -0.289 55.537 56.048 -0.371 0.000 1.192 515 H CB 1.013 30.412 29.762 -0.605 0.000 1.555 515 H HN 0.790 nan 8.280 nan 0.000 0.518 516 N N 1.455 119.525 118.700 -1.049 0.000 2.111 516 N HA -0.240 4.502 4.740 0.004 0.000 0.197 516 N C 1.054 176.372 175.510 -0.321 0.000 1.011 516 N CA 2.177 54.867 53.050 -0.600 0.000 0.880 516 N CB -0.045 38.062 38.487 -0.632 0.000 1.031 516 N HN 0.741 nan 8.380 nan 0.000 0.444 517 T N -2.234 112.171 114.554 -0.247 0.000 3.160 517 T HA 0.018 4.370 4.350 0.004 0.000 0.257 517 T C 1.169 175.989 174.700 0.199 0.000 1.147 517 T CA 0.490 62.634 62.100 0.073 0.000 1.064 517 T CB -0.143 68.832 68.868 0.179 0.000 0.949 517 T HN 0.214 nan 8.240 nan 0.000 0.526 518 H N -0.121 118.965 119.070 0.028 0.000 2.547 518 H HA 0.154 4.712 4.556 0.004 0.000 0.272 518 H C 0.958 176.312 175.328 0.042 0.000 0.989 518 H CA -0.564 55.399 56.048 -0.141 0.000 1.214 518 H CB -0.418 29.228 29.762 -0.194 0.000 1.389 518 H HN 0.627 nan 8.280 nan 0.000 0.577 519 W N 1.808 123.126 121.300 0.031 0.000 2.137 519 W HA 0.316 4.978 4.660 0.004 0.000 0.344 519 W C 1.033 177.556 176.519 0.006 0.000 1.286 519 W CA 0.550 57.895 57.345 -0.001 0.000 1.240 519 W CB 0.117 29.556 29.460 -0.035 0.000 1.141 519 W HN 0.425 nan 8.180 nan 0.000 0.579 520 G N 2.843 111.354 108.800 -0.481 0.000 2.245 520 G HA2 -0.347 3.615 3.960 0.004 0.000 0.264 520 G HA3 -0.347 3.615 3.960 0.004 0.000 0.264 520 G C 0.571 175.367 174.900 -0.173 0.000 0.985 520 G CA 0.815 45.658 45.100 -0.427 0.000 0.625 520 G HN 0.638 nan 8.290 nan 0.000 0.536 521 L N -0.897 120.282 121.223 -0.074 0.000 2.766 521 L HA 0.450 4.792 4.340 0.004 0.000 0.241 521 L C 0.907 177.727 176.870 -0.084 0.000 1.080 521 L CA -0.004 54.814 54.840 -0.037 0.000 0.909 521 L CB 0.483 42.626 42.059 0.140 0.000 1.277 521 L HN 0.088 nan 8.230 nan 0.000 0.510 522 V N -0.155 119.658 119.914 -0.169 0.000 2.713 522 V HA 0.271 4.394 4.120 0.004 0.000 0.307 522 V C -0.359 175.610 176.094 -0.209 0.000 1.052 522 V CA -1.083 61.064 62.300 -0.255 0.000 0.967 522 V CB 2.466 34.004 31.823 -0.476 0.000 1.019 522 V HN 0.288 nan 8.190 nan 0.000 0.459 523 C N 6.224 125.416 119.300 -0.180 0.000 2.350 523 C HA 0.529 4.991 4.460 0.004 0.000 0.348 523 C C -0.400 174.511 174.990 -0.132 0.000 1.260 523 C CA -1.451 57.481 59.018 -0.144 0.000 1.966 523 C CB 1.238 28.910 27.740 -0.114 0.000 2.380 523 C HN 0.839 nan 8.230 nan 0.000 0.535 524 P HA -0.014 nan 4.420 nan 0.000 0.219 524 P C 0.944 178.207 177.300 -0.060 0.000 1.150 524 P CA 2.046 65.112 63.100 -0.057 0.000 0.814 524 P CB 0.197 31.881 31.700 -0.027 0.000 0.787 525 A N -0.096 122.681 122.820 -0.071 0.000 2.063 525 A HA 0.039 4.361 4.320 0.004 0.000 0.211 525 A C 1.375 178.910 177.584 -0.082 0.000 1.177 525 A CA -0.070 51.920 52.037 -0.078 0.000 0.759 525 A CB -0.707 18.245 19.000 -0.079 0.000 0.857 525 A HN 0.170 nan 8.150 nan 0.000 0.468 526 E N 1.262 121.414 120.200 -0.081 0.000 2.159 526 E HA 0.327 4.679 4.350 0.004 0.000 0.272 526 E C -0.445 176.115 176.600 -0.066 0.000 1.138 526 E CA 0.312 56.669 56.400 -0.072 0.000 0.915 526 E CB 0.069 29.727 29.700 -0.069 0.000 1.028 526 E HN 0.286 nan 8.360 nan 0.000 0.423 527 T N 3.924 118.445 114.554 -0.056 0.000 2.827 527 T HA 0.362 4.714 4.350 0.004 0.000 0.328 527 T C -2.916 171.767 174.700 -0.030 0.000 1.598 527 T CA -1.300 60.773 62.100 -0.045 0.000 1.043 527 T CB 1.640 70.478 68.868 -0.050 0.000 1.447 527 T HN 0.352 nan 8.240 nan 0.000 0.491 528 P HA 0.400 nan 4.420 nan 0.000 0.277 528 P C -0.817 176.486 177.300 0.005 0.000 1.240 528 P CA -0.339 62.757 63.100 -0.006 0.000 0.798 528 P CB 0.944 32.637 31.700 -0.011 0.000 0.979 529 E N 0.408 120.623 120.200 0.026 0.000 2.280 529 E HA 0.475 4.828 4.350 0.004 0.000 0.264 529 E C 0.978 177.594 176.600 0.028 0.000 1.064 529 E CA -0.855 55.573 56.400 0.047 0.000 0.900 529 E CB -0.043 29.727 29.700 0.116 0.000 1.123 529 E HN 0.690 nan 8.360 nan 0.000 0.418 530 G N 0.968 109.786 108.800 0.030 0.000 2.602 530 G HA2 -0.484 3.478 3.960 0.004 0.000 0.317 530 G HA3 -0.484 3.478 3.960 0.004 0.000 0.317 530 G C 0.692 175.595 174.900 0.006 0.000 1.327 530 G CA 1.003 46.112 45.100 0.015 0.000 0.971 530 G HN 0.818 nan 8.290 nan 0.000 0.540 531 Q N -2.613 117.188 119.800 0.002 0.000 1.794 531 Q HA -0.427 3.915 4.340 0.004 0.000 0.174 531 Q C 1.971 177.972 176.000 0.001 0.000 2.938 531 Q CA 3.500 59.304 55.803 0.000 0.000 0.214 531 Q CB -1.467 27.269 28.738 -0.002 0.000 0.249 531 Q HN 2.155 nan 8.270 nan 0.000 0.366 532 A N -1.045 121.775 122.820 0.001 0.000 2.622 532 A HA 0.265 4.587 4.320 0.004 0.000 0.283 532 A C -0.088 177.496 177.584 -0.000 0.000 0.998 532 A CA -0.177 51.861 52.037 0.001 0.000 0.985 532 A CB 0.522 19.521 19.000 -0.002 0.000 1.236 532 A HN 0.470 nan 8.150 nan 0.000 0.559 533 C N 1.034 120.334 119.300 0.000 0.000 2.517 533 C HA 0.386 4.849 4.460 0.004 0.000 0.403 533 C C 2.049 177.038 174.990 -0.002 0.000 1.467 533 C CA 2.014 61.031 59.018 -0.002 0.000 1.542 533 C CB -1.512 26.228 27.740 0.000 0.000 2.482 533 C HN 1.816 nan 8.230 nan 0.000 0.610 534 G N 4.624 113.419 108.800 -0.009 0.000 2.302 534 G HA2 -0.278 3.684 3.960 0.004 0.000 0.263 534 G HA3 -0.278 3.684 3.960 0.004 0.000 0.263 534 G C 0.729 175.634 174.900 0.008 0.000 0.995 534 G CA 0.729 45.829 45.100 -0.001 0.000 0.622 534 G HN 0.723 nan 8.290 nan 0.000 0.538 535 L N -0.220 121.007 121.223 0.006 0.000 2.095 535 L HA 0.174 4.516 4.340 0.004 0.000 0.204 535 L C 1.646 178.519 176.870 0.005 0.000 1.080 535 L CA 0.898 55.745 54.840 0.013 0.000 0.759 535 L CB -0.531 41.535 42.059 0.011 0.000 0.914 535 L HN 0.204 nan 8.230 nan 0.000 0.439 536 V N 0.404 120.314 119.914 -0.007 0.000 2.837 536 V HA 0.358 4.480 4.120 0.004 0.000 0.310 536 V C -0.131 175.945 176.094 -0.029 0.000 1.059 536 V CA -0.506 61.788 62.300 -0.011 0.000 1.004 536 V CB 1.709 33.526 31.823 -0.009 0.000 1.045 536 V HN 0.295 nan 8.190 nan 0.000 0.465 537 K N 1.821 122.199 120.400 -0.036 0.000 2.658 537 K HA 0.446 4.768 4.320 0.004 0.000 0.293 537 K C -1.578 174.984 176.600 -0.063 0.000 1.026 537 K CA -0.899 55.346 56.287 -0.070 0.000 0.871 537 K CB 1.850 34.271 32.500 -0.130 0.000 1.524 537 K HN 0.459 nan 8.250 nan 0.000 0.400 538 N N 0.845 119.494 118.700 -0.086 0.000 2.238 538 N HA 0.504 5.246 4.740 0.004 0.000 0.302 538 N C -1.097 174.361 175.510 -0.087 0.000 1.072 538 N CA -0.534 52.472 53.050 -0.074 0.000 0.792 538 N CB 1.819 40.265 38.487 -0.068 0.000 1.425 538 N HN 0.483 nan 8.380 nan 0.000 0.478 539 L N 0.506 121.686 121.223 -0.072 0.000 2.344 539 L HA 0.545 4.887 4.340 0.004 0.000 0.272 539 L C 0.973 177.798 176.870 -0.076 0.000 1.035 539 L CA -0.892 53.902 54.840 -0.077 0.000 0.807 539 L CB 0.974 42.995 42.059 -0.063 0.000 1.237 539 L HN 0.286 nan 8.230 nan 0.000 0.442 540 S N 0.928 116.573 115.700 -0.092 0.000 2.550 540 S HA 0.068 4.541 4.470 0.004 0.000 0.285 540 S C 1.465 176.029 174.600 -0.060 0.000 1.326 540 S CA -0.439 57.703 58.200 -0.098 0.000 1.037 540 S CB 0.385 63.505 63.200 -0.134 0.000 0.838 540 S HN 0.517 nan 8.310 nan 0.000 0.519 541 L N 1.132 122.344 121.223 -0.019 0.000 2.083 541 L HA -0.071 4.271 4.340 0.004 0.000 0.209 541 L C 1.994 178.865 176.870 0.002 0.000 1.083 541 L CA 1.284 56.180 54.840 0.095 0.000 0.752 541 L CB -0.452 41.773 42.059 0.277 0.000 0.899 541 L HN 0.642 nan 8.230 nan 0.000 0.433 542 M N 0.199 119.685 119.600 -0.191 0.000 2.431 542 M HA 0.091 4.573 4.480 0.004 0.000 0.237 542 M C 0.908 176.993 176.300 -0.359 0.000 1.130 542 M CA -0.109 54.943 55.300 -0.413 0.000 1.002 542 M CB 0.092 32.270 32.600 -0.703 0.000 1.524 542 M HN 0.296 nan 8.290 nan 0.000 0.482 543 S N -0.706 114.848 115.700 -0.244 0.000 2.624 543 S HA 0.452 4.924 4.470 0.004 0.000 0.263 543 S C -0.115 174.287 174.600 -0.330 0.000 1.287 543 S CA -0.677 57.343 58.200 -0.299 0.000 0.990 543 S CB 1.757 64.832 63.200 -0.209 0.000 0.950 543 S HN 0.401 nan 8.310 nan 0.000 0.561 544 C N 0.328 119.299 119.300 -0.548 0.000 3.311 544 C HA 0.672 5.134 4.460 0.004 0.000 0.325 544 C C -1.495 173.118 174.990 -0.629 0.000 1.352 544 C CA -0.707 57.916 59.018 -0.659 0.000 1.308 544 C CB 1.204 28.249 27.740 -1.158 0.000 1.619 544 C HN 0.913 nan 8.230 nan 0.000 0.469 545 I N 1.936 122.395 120.570 -0.186 0.000 2.466 545 I HA 0.365 4.537 4.170 0.004 0.000 0.289 545 I C 0.533 176.929 176.117 0.464 0.000 1.026 545 I CA 0.144 61.542 61.300 0.162 0.000 1.078 545 I CB 1.950 39.990 38.000 0.066 0.000 1.249 545 I HN 0.768 nan 8.210 nan 0.000 0.429 546 S N 3.457 119.450 115.700 0.488 0.000 2.605 546 S HA -0.031 4.441 4.470 0.004 0.000 0.309 546 S C 0.630 175.299 174.600 0.116 0.000 1.257 546 S CA -0.139 58.154 58.200 0.155 0.000 1.033 546 S CB 0.499 63.713 63.200 0.023 0.000 0.742 546 S HN 0.585 nan 8.310 nan 0.000 0.487 547 V N 2.351 122.310 119.914 0.074 0.000 3.359 547 V HA 0.538 4.660 4.120 0.004 0.000 0.245 547 V C 1.025 177.135 176.094 0.027 0.000 1.247 547 V CA 1.157 63.486 62.300 0.049 0.000 1.145 547 V CB -0.098 31.754 31.823 0.047 0.000 0.906 547 V HN 1.869 nan 8.190 nan 0.000 0.464 548 G N 0.491 109.304 108.800 0.021 0.000 3.067 548 G HA2 -0.047 3.915 3.960 0.004 0.000 0.686 548 G HA3 -0.047 3.915 3.960 0.004 0.000 0.686 548 G C -0.365 174.551 174.900 0.028 0.000 1.119 548 G CA -0.220 44.894 45.100 0.023 0.000 0.790 548 G HN 0.359 nan 8.290 nan 0.000 0.605 549 T N 0.694 115.264 114.554 0.027 0.000 2.906 549 T HA 0.678 5.031 4.350 0.004 0.000 0.283 549 T C -0.399 174.329 174.700 0.047 0.000 1.098 549 T CA -0.115 62.007 62.100 0.036 0.000 0.960 549 T CB 1.059 69.935 68.868 0.013 0.000 1.776 549 T HN 0.674 nan 8.240 nan 0.000 0.594 550 D N 0.571 120.995 120.400 0.040 0.000 2.308 550 D HA 0.418 5.060 4.640 0.004 0.000 0.242 550 D C -1.817 174.492 176.300 0.015 0.000 1.059 550 D CA -2.452 51.568 54.000 0.034 0.000 0.830 550 D CB 1.767 42.587 40.800 0.034 0.000 1.161 550 D HN -0.028 nan 8.370 nan 0.000 0.494 551 P HA -0.136 nan 4.420 nan 0.000 0.215 551 P C 1.473 178.754 177.300 -0.031 0.000 1.153 551 P CA 1.637 64.736 63.100 -0.002 0.000 0.853 551 P CB 0.116 31.832 31.700 0.026 0.000 0.788 552 M N -0.532 119.060 119.600 -0.012 0.000 2.086 552 M HA -0.022 4.460 4.480 0.004 0.000 0.261 552 M C -0.529 175.763 176.300 -0.013 0.000 1.067 552 M CA 2.184 57.474 55.300 -0.017 0.000 1.116 552 M CB -2.618 29.983 32.600 0.001 0.000 1.348 552 M HN -0.040 nan 8.290 nan 0.000 0.407 553 P HA -0.120 nan 4.420 nan 0.000 0.222 553 P C 1.579 178.900 177.300 0.036 0.000 1.147 553 P CA 1.293 64.406 63.100 0.023 0.000 0.790 553 P CB -0.144 31.569 31.700 0.021 0.000 0.780 554 I N -0.165 120.397 120.570 -0.012 0.000 2.260 554 I HA -0.138 4.034 4.170 0.004 0.000 0.237 554 I C 2.531 178.628 176.117 -0.033 0.000 1.075 554 I CA 0.707 61.989 61.300 -0.029 0.000 1.376 554 I CB -1.207 36.728 38.000 -0.108 0.000 1.107 554 I HN -0.146 nan 8.210 nan 0.000 0.420 555 I N 0.946 121.434 120.570 -0.137 0.000 2.267 555 I HA -0.464 3.708 4.170 0.004 0.000 0.239 555 I C 2.574 178.639 176.117 -0.087 0.000 0.984 555 I CA 2.026 63.189 61.300 -0.230 0.000 1.272 555 I CB -1.953 35.900 38.000 -0.245 0.000 0.976 555 I HN 0.268 nan 8.210 nan 0.000 0.407 556 T N 0.431 114.972 114.554 -0.022 0.000 2.529 556 T HA -0.275 4.077 4.350 0.004 0.000 0.261 556 T C 1.770 176.503 174.700 0.054 0.000 1.110 556 T CA 2.100 64.209 62.100 0.015 0.000 1.192 556 T CB -0.627 68.252 68.868 0.018 0.000 0.864 556 T HN 0.349 nan 8.240 nan 0.000 0.407 557 F N 0.980 120.907 119.950 -0.039 0.000 2.106 557 F HA -0.246 4.284 4.527 0.004 0.000 0.299 557 F C 2.124 177.905 175.800 -0.033 0.000 1.082 557 F CA 1.469 59.450 58.000 -0.031 0.000 1.244 557 F CB -0.278 38.647 39.000 -0.126 0.000 0.997 557 F HN 0.161 nan 8.300 nan 0.000 0.486 558 L N -0.174 121.245 121.223 0.327 0.000 1.976 558 L HA -0.254 4.088 4.340 0.004 0.000 0.209 558 L C 2.530 179.430 176.870 0.051 0.000 1.071 558 L CA 1.831 56.743 54.840 0.121 0.000 0.746 558 L CB -0.825 41.206 42.059 -0.046 0.000 0.890 558 L HN 0.310 nan 8.230 nan 0.000 0.432 559 S N -1.367 114.338 115.700 0.008 0.000 2.803 559 S HA -0.045 4.427 4.470 0.004 0.000 0.226 559 S C 0.780 175.387 174.600 0.012 0.000 0.962 559 S CA 0.330 58.525 58.200 -0.008 0.000 0.968 559 S CB -0.305 62.882 63.200 -0.021 0.000 0.786 559 S HN 0.470 nan 8.310 nan 0.000 0.527 560 E N -0.503 119.730 120.200 0.055 0.000 3.105 560 E HA 0.203 4.555 4.350 0.004 0.000 0.198 560 E C -1.324 175.399 176.600 0.205 0.000 0.976 560 E CA -0.206 56.214 56.400 0.033 0.000 1.219 560 E CB 0.471 30.147 29.700 -0.041 0.000 1.081 560 E HN 0.683 nan 8.360 nan 0.000 0.464 561 W N -0.038 121.195 121.300 -0.111 0.000 0.890 561 W HA 0.341 5.004 4.660 0.004 0.000 0.201 561 W C 0.601 177.131 176.519 0.019 0.000 0.741 561 W CA -0.133 57.196 57.345 -0.026 0.000 1.243 561 W CB 0.849 30.355 29.460 0.078 0.000 0.808 561 W HN 0.254 nan 8.180 nan 0.000 0.383 562 G N 0.288 109.178 108.800 0.151 0.000 2.013 562 G HA2 0.008 3.970 3.960 0.004 0.000 0.076 562 G HA3 0.008 3.970 3.960 0.004 0.000 0.076 562 G C 0.461 175.327 174.900 -0.057 0.000 1.053 562 G CA 0.122 45.352 45.100 0.218 0.000 1.230 562 G HN 0.480 nan 8.290 nan 0.000 0.431 563 M N 1.482 120.821 119.600 -0.435 0.000 2.282 563 M HA -0.144 4.338 4.480 0.004 0.000 0.199 563 M C 0.066 176.307 176.300 -0.099 0.000 0.349 563 M CA 1.781 56.926 55.300 -0.257 0.000 0.416 563 M CB -1.896 30.537 32.600 -0.278 0.000 1.366 563 M HN 0.620 nan 8.290 nan 0.000 0.907 564 E N 0.995 121.182 120.200 -0.023 0.000 3.056 564 E HA -0.031 4.322 4.350 0.004 0.000 0.264 564 E C -2.009 174.497 176.600 -0.156 0.000 0.899 564 E CA -0.192 56.176 56.400 -0.054 0.000 0.966 564 E CB -0.237 29.460 29.700 -0.006 0.000 0.913 564 E HN 0.446 nan 8.360 nan 0.000 0.522 565 P HA 0.012 nan 4.420 nan 0.000 0.302 565 P C 0.214 177.301 177.300 -0.354 0.000 1.307 565 P CA -0.441 62.513 63.100 -0.244 0.000 0.754 565 P CB 0.688 32.279 31.700 -0.182 0.000 1.298 566 L N -0.138 120.813 121.223 -0.453 0.000 2.130 566 L HA -0.047 4.295 4.340 0.004 0.000 0.200 566 L C 2.310 178.891 176.870 -0.482 0.000 1.075 566 L CA 1.375 55.804 54.840 -0.684 0.000 0.768 566 L CB -1.117 40.361 42.059 -0.968 0.000 0.933 566 L HN 0.239 nan 8.230 nan 0.000 0.451 567 E N -0.352 119.660 120.200 -0.314 0.000 2.095 567 E HA -0.292 4.060 4.350 0.004 0.000 0.212 567 E C 0.575 177.155 176.600 -0.034 0.000 1.044 567 E CA 1.724 58.049 56.400 -0.125 0.000 0.857 567 E CB -1.331 28.267 29.700 -0.169 0.000 0.764 567 E HN 0.457 nan 8.360 nan 0.000 0.462 568 D N 0.526 120.886 120.400 -0.066 0.000 2.941 568 D HA 0.045 4.687 4.640 0.004 0.000 0.236 568 D C -0.875 175.458 176.300 0.055 0.000 1.147 568 D CA 0.203 54.199 54.000 -0.006 0.000 0.975 568 D CB -1.044 39.741 40.800 -0.025 0.000 1.162 568 D HN 0.111 nan 8.370 nan 0.000 0.444 569 Y N 0.481 120.726 120.300 -0.091 0.000 2.335 569 Y HA 0.392 4.944 4.550 0.004 0.000 0.338 569 Y C -0.356 175.588 175.900 0.074 0.000 0.977 569 Y CA -1.496 56.550 58.100 -0.092 0.000 1.114 569 Y CB 1.342 39.557 38.460 -0.410 0.000 1.182 569 Y HN -0.102 nan 8.280 nan 0.000 0.463 570 V N 6.738 126.279 119.914 -0.621 0.000 2.658 570 V HA 0.288 4.410 4.120 0.004 0.000 0.259 570 V C -2.226 173.434 176.094 -0.723 0.000 0.933 570 V CA -1.348 60.665 62.300 -0.478 0.000 0.871 570 V CB 1.090 32.754 31.823 -0.265 0.000 1.062 570 V HN 0.625 nan 8.190 nan 0.000 0.479 571 P HA -0.257 nan 4.420 nan 0.000 0.217 571 P C 1.379 178.599 177.300 -0.132 0.000 1.151 571 P CA 2.283 65.048 63.100 -0.558 0.000 0.849 571 P CB 0.006 31.578 31.700 -0.214 0.000 0.787 572 H N -0.413 118.576 119.070 -0.134 0.000 2.535 572 H HA 0.052 4.610 4.556 0.004 0.000 0.273 572 H C 1.588 176.893 175.328 -0.038 0.000 0.983 572 H CA 0.489 56.509 56.048 -0.048 0.000 1.238 572 H CB -0.036 29.698 29.762 -0.047 0.000 1.412 572 H HN 0.210 nan 8.280 nan 0.000 0.562 573 Q N 1.433 120.968 119.800 -0.441 0.000 2.172 573 Q HA 0.163 4.505 4.340 0.004 0.000 0.217 573 Q C -0.731 175.198 176.000 -0.118 0.000 0.832 573 Q CA -0.253 55.376 55.803 -0.290 0.000 1.010 573 Q CB 0.795 29.270 28.738 -0.438 0.000 1.133 573 Q HN 0.336 nan 8.270 nan 0.000 0.489 574 S N 1.276 116.937 115.700 -0.064 0.000 2.777 574 S HA 0.225 4.697 4.470 0.004 0.000 0.140 574 S C -2.481 172.168 174.600 0.082 0.000 1.233 574 S CA -0.653 57.561 58.200 0.023 0.000 1.157 574 S CB 1.339 64.581 63.200 0.070 0.000 1.600 574 S HN 0.207 nan 8.310 nan 0.000 0.432 575 P HA 0.076 nan 4.420 nan 0.000 0.227 575 P C 0.041 177.429 177.300 0.146 0.000 1.161 575 P CA 0.666 63.850 63.100 0.139 0.000 0.788 575 P CB -0.042 31.737 31.700 0.132 0.000 0.822 576 D N 0.850 121.314 120.400 0.108 0.000 2.826 576 D HA 0.182 4.824 4.640 0.004 0.000 0.247 576 D C 0.181 176.529 176.300 0.079 0.000 1.238 576 D CA 0.395 54.444 54.000 0.081 0.000 0.894 576 D CB -0.267 40.567 40.800 0.057 0.000 1.100 576 D HN 0.160 nan 8.370 nan 0.000 0.453 577 A N 0.759 123.645 122.820 0.111 0.000 2.328 577 A HA 0.339 4.661 4.320 0.004 0.000 0.318 577 A C 0.421 178.067 177.584 0.103 0.000 1.347 577 A CA -0.645 51.463 52.037 0.119 0.000 0.842 577 A CB 0.619 19.737 19.000 0.197 0.000 1.148 577 A HN -0.049 nan 8.150 nan 0.000 0.499 578 T N 4.250 118.862 114.554 0.095 0.000 2.817 578 T HA 0.224 4.576 4.350 0.004 0.000 0.295 578 T C 0.783 175.537 174.700 0.090 0.000 0.958 578 T CA 0.053 62.211 62.100 0.096 0.000 1.157 578 T CB -0.075 68.850 68.868 0.096 0.000 0.898 578 T HN 0.747 nan 8.240 nan 0.000 0.536 579 R N 2.068 122.606 120.500 0.063 0.000 2.582 579 R HA 0.561 4.903 4.340 0.004 0.000 0.271 579 R C -0.778 175.565 176.300 0.071 0.000 1.078 579 R CA -0.750 55.382 56.100 0.054 0.000 1.127 579 R CB 0.366 30.601 30.300 -0.109 0.000 1.038 579 R HN 0.287 nan 8.270 nan 0.000 0.500 580 V N 2.543 122.508 119.914 0.084 0.000 2.532 580 V HA 0.394 4.516 4.120 0.004 0.000 0.295 580 V C -0.795 175.309 176.094 0.017 0.000 1.041 580 V CA -0.515 61.834 62.300 0.081 0.000 0.926 580 V CB 1.250 33.097 31.823 0.041 0.000 0.992 580 V HN 0.563 nan 8.190 nan 0.000 0.457 581 F N 3.194 123.102 119.950 -0.071 0.000 2.460 581 F HA 0.613 5.142 4.527 0.004 0.000 0.341 581 F C -0.145 175.592 175.800 -0.106 0.000 1.130 581 F CA -0.532 57.416 58.000 -0.087 0.000 0.962 581 F CB 2.010 40.882 39.000 -0.213 0.000 1.171 581 F HN 0.155 nan 8.300 nan 0.000 0.436 582 V N 4.121 124.205 119.914 0.283 0.000 2.540 582 V HA 0.283 4.405 4.120 0.004 0.000 0.302 582 V C -0.075 176.110 176.094 0.152 0.000 1.035 582 V CA -0.976 61.400 62.300 0.126 0.000 0.873 582 V CB 1.694 33.511 31.823 -0.010 0.000 0.992 582 V HN 0.816 nan 8.190 nan 0.000 0.428 583 N N 3.822 122.532 118.700 0.017 0.000 2.666 583 N HA -0.234 4.508 4.740 0.004 0.000 0.248 583 N C 1.039 176.678 175.510 0.215 0.000 1.118 583 N CA 1.948 55.088 53.050 0.150 0.000 0.722 583 N CB -0.895 37.700 38.487 0.179 0.000 1.050 583 N HN 1.464 nan 8.380 nan 0.000 0.550 584 G N -3.705 105.198 108.800 0.171 0.000 2.175 584 G HA2 -0.264 3.698 3.960 0.004 0.000 0.244 584 G HA3 -0.264 3.698 3.960 0.004 0.000 0.244 584 G C 0.026 175.167 174.900 0.403 0.000 0.982 584 G CA 0.107 45.386 45.100 0.299 0.000 0.641 584 G HN 0.451 nan 8.290 nan 0.000 0.527 585 V N 0.714 120.793 119.914 0.275 0.000 2.567 585 V HA 0.615 4.737 4.120 0.004 0.000 0.289 585 V C 0.231 176.277 176.094 -0.079 0.000 1.049 585 V CA -0.750 61.557 62.300 0.011 0.000 0.969 585 V CB 1.536 33.255 31.823 -0.174 0.000 0.995 585 V HN 0.303 nan 8.190 nan 0.000 0.471 586 W N 4.915 125.860 121.300 -0.592 0.000 2.332 586 W HA 0.429 5.091 4.660 0.004 0.000 0.306 586 W C 0.765 176.916 176.519 -0.614 0.000 1.149 586 W CA -0.744 56.096 57.345 -0.841 0.000 1.271 586 W CB 0.180 29.212 29.460 -0.713 0.000 1.243 586 W HN 0.705 nan 8.180 nan 0.000 0.459 587 H N 3.718 122.700 119.070 -0.147 0.000 2.755 587 H HA 0.319 4.877 4.556 0.004 0.000 0.273 587 H C 1.142 176.258 175.328 -0.354 0.000 1.055 587 H CA 0.596 56.499 56.048 -0.242 0.000 1.191 587 H CB 1.043 30.723 29.762 -0.138 0.000 1.536 587 H HN 0.582 nan 8.280 nan 0.000 0.529 588 G N 0.634 109.210 108.800 -0.373 0.000 2.250 588 G HA2 -0.014 3.948 3.960 0.004 0.000 0.252 588 G HA3 -0.014 3.948 3.960 0.004 0.000 0.252 588 G C -1.434 173.339 174.900 -0.211 0.000 1.325 588 G CA -0.243 44.561 45.100 -0.492 0.000 1.091 588 G HN 0.093 nan 8.290 nan 0.000 0.476 589 V N -0.226 119.543 119.914 -0.240 0.000 3.156 589 V HA 0.942 5.064 4.120 0.004 0.000 0.310 589 V C -0.755 175.374 176.094 0.058 0.000 1.234 589 V CA -0.334 61.892 62.300 -0.124 0.000 1.065 589 V CB 2.197 33.821 31.823 -0.332 0.000 1.088 589 V HN 1.437 nan 8.190 nan 0.000 0.451 590 H N 0.469 119.530 119.070 -0.014 0.000 3.112 590 H HA 0.652 5.210 4.556 0.004 0.000 0.347 590 H C -0.777 174.574 175.328 0.038 0.000 1.188 590 H CA -0.834 55.225 56.048 0.018 0.000 1.240 590 H CB 1.482 31.263 29.762 0.032 0.000 1.920 590 H HN 0.612 nan 8.280 nan 0.000 0.535 591 R N 1.553 121.973 120.500 -0.134 0.000 2.843 591 R HA 0.395 4.737 4.340 0.004 0.000 0.232 591 R C 0.028 176.064 176.300 -0.440 0.000 1.305 591 R CA -1.086 54.926 56.100 -0.146 0.000 1.096 591 R CB 0.354 30.626 30.300 -0.047 0.000 1.455 591 R HN 0.643 nan 8.270 nan 0.000 0.520 592 N N 1.925 120.478 118.700 -0.244 0.000 2.722 592 N HA -0.124 4.618 4.740 0.004 0.000 0.274 592 N C -1.582 173.719 175.510 -0.349 0.000 0.987 592 N CA 0.389 53.298 53.050 -0.234 0.000 0.817 592 N CB -0.031 38.361 38.487 -0.158 0.000 0.921 592 N HN 0.527 nan 8.380 nan 0.000 0.565 593 P HA -0.081 nan 4.420 nan 0.000 0.224 593 P C 1.226 178.549 177.300 0.040 0.000 1.157 593 P CA 1.207 64.332 63.100 0.041 0.000 0.799 593 P CB 0.148 31.902 31.700 0.089 0.000 0.809 594 A N 2.079 124.901 122.820 0.003 0.000 1.849 594 A HA -0.242 4.080 4.320 0.004 0.000 0.216 594 A C 2.410 180.018 177.584 0.039 0.000 1.225 594 A CA 2.445 54.492 52.037 0.017 0.000 0.653 594 A CB -1.766 17.239 19.000 0.009 0.000 0.844 594 A HN 0.076 nan 8.150 nan 0.000 0.453 595 R N -1.148 119.384 120.500 0.052 0.000 2.228 595 R HA -0.235 4.107 4.340 0.004 0.000 0.264 595 R C 1.992 178.378 176.300 0.143 0.000 1.179 595 R CA 1.643 57.807 56.100 0.107 0.000 0.998 595 R CB -0.702 29.672 30.300 0.122 0.000 0.885 595 R HN 0.550 nan 8.270 nan 0.000 0.466 596 L N -0.247 121.066 121.223 0.150 0.000 2.109 596 L HA -0.067 4.275 4.340 0.004 0.000 0.207 596 L C 2.112 178.956 176.870 -0.042 0.000 1.086 596 L CA 1.577 56.484 54.840 0.112 0.000 0.760 596 L CB -0.244 41.962 42.059 0.245 0.000 0.910 596 L HN 0.082 nan 8.230 nan 0.000 0.437 597 M N -0.018 119.573 119.600 -0.014 0.000 2.064 597 M HA -0.170 4.313 4.480 0.004 0.000 0.260 597 M C 2.159 178.409 176.300 -0.084 0.000 1.073 597 M CA 2.074 57.340 55.300 -0.057 0.000 1.124 597 M CB -0.504 32.080 32.600 -0.027 0.000 1.326 597 M HN 0.453 nan 8.290 nan 0.000 0.410 598 E N -0.887 119.289 120.200 -0.041 0.000 2.110 598 E HA -0.305 4.048 4.350 0.004 0.000 0.225 598 E C 1.638 178.196 176.600 -0.071 0.000 1.063 598 E CA 3.148 59.528 56.400 -0.033 0.000 0.906 598 E CB -0.744 28.959 29.700 0.005 0.000 0.795 598 E HN 0.520 nan 8.360 nan 0.000 0.479 599 T N 1.570 116.072 114.554 -0.086 0.000 2.564 599 T HA -0.275 4.077 4.350 0.004 0.000 0.264 599 T C 1.752 176.300 174.700 -0.253 0.000 1.100 599 T CA 1.995 63.995 62.100 -0.167 0.000 1.171 599 T CB -0.566 68.148 68.868 -0.256 0.000 0.863 599 T HN 0.189 nan 8.240 nan 0.000 0.430 600 L N 0.165 121.190 121.223 -0.329 0.000 1.980 600 L HA -0.314 4.028 4.340 0.004 0.000 0.232 600 L C 2.774 179.510 176.870 -0.224 0.000 1.092 600 L CA 2.242 56.876 54.840 -0.343 0.000 0.808 600 L CB -0.776 41.124 42.059 -0.265 0.000 0.908 600 L HN 0.311 nan 8.230 nan 0.000 0.442 601 R N -0.500 119.910 120.500 -0.150 0.000 2.171 601 R HA -0.184 4.158 4.340 0.004 0.000 0.226 601 R C 2.093 178.336 176.300 -0.094 0.000 1.113 601 R CA 2.453 58.495 56.100 -0.097 0.000 0.887 601 R CB -1.258 29.008 30.300 -0.056 0.000 0.830 601 R HN 0.418 nan 8.270 nan 0.000 0.432 602 T N 1.598 116.107 114.554 -0.074 0.000 2.774 602 T HA -0.211 4.141 4.350 0.004 0.000 0.264 602 T C 1.587 176.242 174.700 -0.075 0.000 1.037 602 T CA 1.552 63.618 62.100 -0.057 0.000 1.152 602 T CB -0.303 68.547 68.868 -0.030 0.000 0.842 602 T HN 0.172 nan 8.240 nan 0.000 0.483 603 L N 0.141 121.291 121.223 -0.122 0.000 2.418 603 L HA 0.145 4.488 4.340 0.004 0.000 0.218 603 L C 2.753 179.546 176.870 -0.129 0.000 1.125 603 L CA 0.762 55.522 54.840 -0.134 0.000 0.835 603 L CB -0.468 41.460 42.059 -0.218 0.000 0.953 603 L HN 0.229 nan 8.230 nan 0.000 0.454 604 R N 1.141 121.563 120.500 -0.129 0.000 2.282 604 R HA 0.048 4.391 4.340 0.004 0.000 0.195 604 R C 1.479 177.717 176.300 -0.103 0.000 0.909 604 R CA 0.170 56.196 56.100 -0.122 0.000 1.039 604 R CB 0.338 30.566 30.300 -0.120 0.000 1.015 604 R HN 0.256 nan 8.270 nan 0.000 0.513 605 R N 0.063 120.512 120.500 -0.085 0.000 2.362 605 R HA 0.151 4.493 4.340 0.004 0.000 0.227 605 R C 1.665 177.922 176.300 -0.072 0.000 0.905 605 R CA 0.077 56.130 56.100 -0.079 0.000 1.067 605 R CB 0.323 30.589 30.300 -0.056 0.000 1.078 605 R HN 0.047 nan 8.270 nan 0.000 0.516 606 K N 0.408 120.769 120.400 -0.064 0.000 2.243 606 K HA 0.010 4.332 4.320 0.004 0.000 0.201 606 K C 0.894 177.462 176.600 -0.054 0.000 1.051 606 K CA 1.285 57.544 56.287 -0.047 0.000 0.970 606 K CB 0.352 32.837 32.500 -0.026 0.000 0.755 606 K HN 0.239 nan 8.250 nan 0.000 0.465 607 G N 0.669 109.428 108.800 -0.069 0.000 2.227 607 G HA2 -0.170 3.792 3.960 0.004 0.000 0.168 607 G HA3 -0.170 3.792 3.960 0.004 0.000 0.168 607 G C 0.086 174.951 174.900 -0.058 0.000 1.006 607 G CA 0.242 45.299 45.100 -0.072 0.000 0.684 607 G HN 0.395 nan 8.290 nan 0.000 0.489 608 D N 0.004 120.373 120.400 -0.052 0.000 2.347 608 D HA 0.216 4.858 4.640 0.004 0.000 0.215 608 D C 0.857 177.122 176.300 -0.057 0.000 0.976 608 D CA 0.643 54.621 54.000 -0.036 0.000 0.884 608 D CB 0.535 41.332 40.800 -0.005 0.000 0.915 608 D HN 0.332 nan 8.370 nan 0.000 0.526 609 I N 0.634 121.149 120.570 -0.093 0.000 2.608 609 I HA 0.146 4.318 4.170 0.004 0.000 0.295 609 I C 0.119 176.174 176.117 -0.102 0.000 1.049 609 I CA -1.020 60.217 61.300 -0.105 0.000 1.063 609 I CB 1.460 39.369 38.000 -0.152 0.000 1.248 609 I HN -0.100 nan 8.210 nan 0.000 0.424 610 N N 6.841 125.489 118.700 -0.087 0.000 2.225 610 N HA -0.057 4.685 4.740 0.004 0.000 0.257 610 N C -1.783 173.645 175.510 -0.137 0.000 1.252 610 N CA -0.397 52.594 53.050 -0.099 0.000 0.833 610 N CB 1.083 39.522 38.487 -0.081 0.000 1.068 610 N HN 0.303 nan 8.380 nan 0.000 0.468 611 P HA -0.042 nan 4.420 nan 0.000 0.223 611 P C 0.882 178.031 177.300 -0.251 0.000 1.151 611 P CA 0.812 63.760 63.100 -0.252 0.000 0.787 611 P CB 0.345 31.820 31.700 -0.376 0.000 0.788 612 E N 0.012 120.084 120.200 -0.213 0.000 2.035 612 E HA -0.126 4.227 4.350 0.004 0.000 0.204 612 E C 0.428 176.916 176.600 -0.188 0.000 1.025 612 E CA 1.068 57.331 56.400 -0.228 0.000 0.835 612 E CB -0.789 28.828 29.700 -0.137 0.000 0.764 612 E HN 0.043 nan 8.360 nan 0.000 0.457 613 V N 2.075 121.919 119.914 -0.117 0.000 2.843 613 V HA -0.076 4.046 4.120 0.004 0.000 0.305 613 V C 0.445 176.508 176.094 -0.052 0.000 1.120 613 V CA 0.255 62.514 62.300 -0.068 0.000 1.254 613 V CB 0.520 32.307 31.823 -0.060 0.000 0.901 613 V HN 0.218 nan 8.190 nan 0.000 0.503 614 S N 4.804 120.512 115.700 0.012 0.000 2.578 614 S HA 0.857 5.329 4.470 0.004 0.000 0.301 614 S C -0.641 173.992 174.600 0.055 0.000 1.091 614 S CA -0.958 57.272 58.200 0.049 0.000 1.032 614 S CB 1.926 65.178 63.200 0.086 0.000 1.064 614 S HN 0.643 nan 8.310 nan 0.000 0.508 615 M N 2.627 122.252 119.600 0.042 0.000 2.210 615 M HA 0.308 4.790 4.480 0.004 0.000 0.235 615 M C -2.065 174.245 176.300 0.016 0.000 0.974 615 M CA -0.130 55.169 55.300 -0.003 0.000 1.043 615 M CB 1.136 33.716 32.600 -0.033 0.000 2.331 615 M HN 0.620 nan 8.290 nan 0.000 0.452 616 I N 2.646 123.225 120.570 0.014 0.000 2.389 616 I HA 0.494 4.666 4.170 0.004 0.000 0.288 616 I C -0.004 176.114 176.117 0.000 0.000 0.999 616 I CA -0.385 60.929 61.300 0.024 0.000 1.129 616 I CB 1.772 39.796 38.000 0.040 0.000 1.288 616 I HN 0.535 nan 8.210 nan 0.000 0.444 617 R N 4.869 125.375 120.500 0.009 0.000 2.439 617 R HA 0.461 4.803 4.340 0.004 0.000 0.310 617 R C -1.358 174.952 176.300 0.016 0.000 0.955 617 R CA -0.515 55.591 56.100 0.010 0.000 0.853 617 R CB 1.382 31.689 30.300 0.011 0.000 1.171 617 R HN 0.601 nan 8.270 nan 0.000 0.449 618 D N 5.023 125.433 120.400 0.017 0.000 2.198 618 D HA 0.175 4.817 4.640 0.004 0.000 0.245 618 D C 0.716 177.032 176.300 0.025 0.000 1.079 618 D CA -0.411 53.601 54.000 0.020 0.000 0.854 618 D CB 1.283 42.093 40.800 0.015 0.000 1.148 618 D HN 0.527 nan 8.370 nan 0.000 0.456 619 I N 3.393 123.976 120.570 0.023 0.000 2.628 619 I HA -0.104 4.068 4.170 0.004 0.000 0.255 619 I C 1.931 178.067 176.117 0.031 0.000 1.119 619 I CA 0.705 62.020 61.300 0.025 0.000 1.448 619 I CB -0.165 37.845 38.000 0.017 0.000 1.133 619 I HN 0.405 nan 8.210 nan 0.000 0.438 620 R N 0.405 120.921 120.500 0.027 0.000 2.310 620 R HA 0.054 4.397 4.340 0.004 0.000 0.202 620 R C 1.231 177.552 176.300 0.036 0.000 0.933 620 R CA 0.396 56.513 56.100 0.029 0.000 1.054 620 R CB -0.158 30.153 30.300 0.019 0.000 0.985 620 R HN 0.041 nan 8.270 nan 0.000 0.489 621 E N 1.443 121.667 120.200 0.041 0.000 2.562 621 E HA 0.081 4.434 4.350 0.004 0.000 0.214 621 E C -0.628 176.019 176.600 0.079 0.000 0.979 621 E CA -0.132 56.300 56.400 0.054 0.000 1.002 621 E CB 0.280 30.003 29.700 0.039 0.000 1.048 621 E HN 0.272 nan 8.360 nan 0.000 0.488 622 K N 0.722 121.163 120.400 0.068 0.000 3.077 622 K HA -0.246 4.076 4.320 0.004 0.000 0.264 622 K C -0.593 176.058 176.600 0.085 0.000 1.008 622 K CA 1.115 57.448 56.287 0.077 0.000 0.740 622 K CB -2.213 30.339 32.500 0.088 0.000 1.273 622 K HN 0.180 nan 8.250 nan 0.000 0.477 623 E N 0.430 120.673 120.200 0.072 0.000 2.232 623 E HA 0.650 5.002 4.350 0.004 0.000 0.264 623 E C -0.595 176.037 176.600 0.052 0.000 0.973 623 E CA -1.411 55.034 56.400 0.075 0.000 0.849 623 E CB 1.563 31.276 29.700 0.021 0.000 1.198 623 E HN 0.174 nan 8.360 nan 0.000 0.407 624 L N 0.400 121.666 121.223 0.071 0.000 2.611 624 L HA 0.341 4.683 4.340 0.004 0.000 0.263 624 L C -1.545 175.334 176.870 0.015 0.000 0.969 624 L CA -0.357 54.501 54.840 0.030 0.000 0.894 624 L CB 1.273 43.359 42.059 0.045 0.000 1.229 624 L HN 0.339 nan 8.230 nan 0.000 0.416 625 K N 5.094 125.440 120.400 -0.089 0.000 2.183 625 K HA 0.711 5.033 4.320 0.004 0.000 0.274 625 K C -1.170 175.278 176.600 -0.253 0.000 1.009 625 K CA -0.552 55.594 56.287 -0.234 0.000 0.888 625 K CB 1.685 33.971 32.500 -0.358 0.000 1.078 625 K HN 0.527 nan 8.250 nan 0.000 0.459 626 I N 3.452 123.818 120.570 -0.340 0.000 2.466 626 I HA 0.359 4.531 4.170 0.004 0.000 0.289 626 I C -0.943 174.960 176.117 -0.357 0.000 1.026 626 I CA -0.192 60.957 61.300 -0.252 0.000 1.078 626 I CB 1.065 38.969 38.000 -0.159 0.000 1.249 626 I HN 0.462 nan 8.210 nan 0.000 0.429 627 F N 3.596 123.529 119.950 -0.029 0.000 2.539 627 F HA 0.450 4.980 4.527 0.004 0.000 0.318 627 F C 0.541 176.314 175.800 -0.045 0.000 1.135 627 F CA -0.441 57.542 58.000 -0.029 0.000 0.915 627 F CB 2.413 41.387 39.000 -0.044 0.000 1.176 627 F HN 0.270 nan 8.300 nan 0.000 0.440 628 T N 1.731 116.426 114.554 0.234 0.000 3.415 628 T HA 0.040 4.392 4.350 0.004 0.000 0.282 628 T C -0.479 174.272 174.700 0.086 0.000 1.007 628 T CA -0.252 61.906 62.100 0.096 0.000 0.958 628 T CB -0.470 68.441 68.868 0.072 0.000 1.171 628 T HN 0.509 nan 8.240 nan 0.000 0.500 629 D N 1.071 121.518 120.400 0.078 0.000 2.388 629 D HA 0.663 5.305 4.640 0.004 0.000 0.254 629 D C -0.226 176.078 176.300 0.007 0.000 1.111 629 D CA -0.359 53.671 54.000 0.050 0.000 0.993 629 D CB 1.841 42.627 40.800 -0.023 0.000 1.118 629 D HN 0.318 nan 8.370 nan 0.000 0.502 630 A N -0.657 122.168 122.820 0.008 0.000 2.299 630 A HA 0.624 4.946 4.320 0.004 0.000 0.332 630 A C 0.635 178.204 177.584 -0.025 0.000 1.131 630 A CA 0.105 52.140 52.037 -0.004 0.000 0.844 630 A CB 1.081 20.089 19.000 0.014 0.000 1.251 630 A HN 0.865 nan 8.150 nan 0.000 0.486 631 G N 0.123 108.914 108.800 -0.015 0.000 2.165 631 G HA2 -0.171 3.791 3.960 0.004 0.000 0.226 631 G HA3 -0.171 3.791 3.960 0.004 0.000 0.226 631 G C 0.001 174.862 174.900 -0.066 0.000 1.035 631 G CA 0.273 45.352 45.100 -0.035 0.000 0.744 631 G HN 0.847 nan 8.290 nan 0.000 0.501 632 R N -0.495 119.986 120.500 -0.031 0.000 2.407 632 R HA 0.629 4.971 4.340 0.004 0.000 0.303 632 R C 0.438 176.795 176.300 0.095 0.000 0.981 632 R CA -0.774 55.284 56.100 -0.070 0.000 0.905 632 R CB 2.021 32.254 30.300 -0.112 0.000 1.099 632 R HN 0.104 nan 8.270 nan 0.000 0.459 633 V N 2.978 122.907 119.914 0.025 0.000 2.997 633 V HA 0.525 4.647 4.120 0.004 0.000 0.311 633 V C -0.399 175.901 176.094 0.344 0.000 1.066 633 V CA -0.400 62.001 62.300 0.169 0.000 1.039 633 V CB 0.680 32.552 31.823 0.082 0.000 1.081 633 V HN 0.892 nan 8.190 nan 0.000 0.467 634 Y N 0.397 120.702 120.300 0.009 0.000 2.960 634 Y HA 0.756 5.308 4.550 0.004 0.000 0.361 634 Y C -0.223 175.638 175.900 -0.066 0.000 1.318 634 Y CA -0.842 57.267 58.100 0.015 0.000 1.103 634 Y CB 0.808 39.294 38.460 0.043 0.000 1.650 634 Y HN 0.603 nan 8.280 nan 0.000 0.436 635 R N -2.944 117.686 120.500 0.215 0.000 5.315 635 R HA 0.211 4.553 4.340 0.004 0.000 0.063 635 R C -2.537 173.686 176.300 -0.130 0.000 0.683 635 R CA 0.037 56.104 56.100 -0.055 0.000 1.601 635 R CB -1.254 28.899 30.300 -0.245 0.000 0.912 635 R HN 0.446 nan 8.270 nan 0.000 0.422 636 P HA -0.230 nan 4.420 nan 0.000 0.251 636 P C -0.112 177.112 177.300 -0.126 0.000 0.832 636 P CA 1.838 64.782 63.100 -0.260 0.000 1.108 636 P CB -0.104 31.408 31.700 -0.313 0.000 0.773 637 L N -4.053 117.157 121.223 -0.022 0.000 2.592 637 L HA 0.607 4.949 4.340 0.004 0.000 0.258 637 L C -1.244 175.683 176.870 0.094 0.000 0.926 637 L CA -1.632 53.192 54.840 -0.027 0.000 0.885 637 L CB 0.393 42.420 42.059 -0.053 0.000 1.380 637 L HN 0.009 nan 8.230 nan 0.000 0.415 638 F N 3.196 123.126 119.950 -0.033 0.000 2.461 638 F HA 0.792 5.321 4.527 0.004 0.000 0.337 638 F C 0.488 176.320 175.800 0.053 0.000 1.079 638 F CA -1.426 56.576 58.000 0.003 0.000 1.032 638 F CB 0.465 39.465 39.000 -0.000 0.000 1.327 638 F HN 0.387 nan 8.300 nan 0.000 0.491 639 I N -0.178 120.560 120.570 0.280 0.000 2.863 639 I HA 0.414 4.586 4.170 0.004 0.000 0.311 639 I C 0.125 176.300 176.117 0.096 0.000 1.026 639 I CA -0.766 60.657 61.300 0.204 0.000 1.077 639 I CB 2.197 40.291 38.000 0.156 0.000 1.262 639 I HN 0.410 nan 8.210 nan 0.000 0.461 640 V N -0.470 119.501 119.914 0.095 0.000 3.473 640 V HA 0.134 4.256 4.120 0.004 0.000 0.253 640 V C 0.188 176.308 176.094 0.043 0.000 1.340 640 V CA -0.150 62.179 62.300 0.049 0.000 1.103 640 V CB -0.406 31.457 31.823 0.067 0.000 0.881 640 V HN 0.680 nan 8.190 nan 0.000 0.451 641 E N 3.172 123.392 120.200 0.032 0.000 2.956 641 E HA -0.221 4.131 4.350 0.004 0.000 0.326 641 E C 1.023 177.648 176.600 0.041 0.000 0.707 641 E CA 0.724 57.141 56.400 0.027 0.000 1.182 641 E CB -0.027 29.687 29.700 0.023 0.000 0.682 641 E HN 0.720 nan 8.360 nan 0.000 0.478 642 D N 2.882 123.311 120.400 0.048 0.000 2.311 642 D HA -0.278 4.364 4.640 0.004 0.000 0.204 642 D C 0.438 176.770 176.300 0.053 0.000 1.000 642 D CA 1.148 55.187 54.000 0.064 0.000 0.910 642 D CB -0.242 40.594 40.800 0.060 0.000 0.900 642 D HN 0.519 nan 8.370 nan 0.000 0.463 643 D N 0.855 121.278 120.400 0.039 0.000 3.146 643 D HA -0.191 4.451 4.640 0.004 0.000 0.200 643 D C -0.341 175.979 176.300 0.033 0.000 1.153 643 D CA 0.980 55.001 54.000 0.034 0.000 0.659 643 D CB -0.264 40.557 40.800 0.036 0.000 1.072 643 D HN 0.540 nan 8.370 nan 0.000 0.402 644 E N -0.237 119.983 120.200 0.033 0.000 2.220 644 E HA 0.165 4.518 4.350 0.004 0.000 0.256 644 E C 0.472 177.056 176.600 -0.026 0.000 0.881 644 E CA -0.317 56.084 56.400 0.001 0.000 0.766 644 E CB 2.063 31.753 29.700 -0.016 0.000 1.187 644 E HN -0.071 nan 8.360 nan 0.000 0.419 645 S N 2.622 118.310 115.700 -0.020 0.000 3.634 645 S HA -0.257 4.215 4.470 0.004 0.000 0.535 645 S C 1.488 176.056 174.600 -0.054 0.000 0.931 645 S CA 1.305 59.488 58.200 -0.028 0.000 3.368 645 S CB -0.257 62.929 63.200 -0.023 0.000 2.337 645 S HN 0.630 nan 8.310 nan 0.000 0.325 646 L N 1.748 122.934 121.223 -0.061 0.000 3.007 646 L HA 0.052 4.395 4.340 0.004 0.000 0.254 646 L C 0.987 177.768 176.870 -0.149 0.000 1.192 646 L CA 0.841 55.634 54.840 -0.078 0.000 0.855 646 L CB -1.428 40.599 42.059 -0.053 0.000 1.071 646 L HN 0.759 nan 8.230 nan 0.000 0.466 647 G N -0.674 108.009 108.800 -0.195 0.000 3.084 647 G HA2 0.142 4.104 3.960 0.004 0.000 0.543 647 G HA3 0.142 4.104 3.960 0.004 0.000 0.543 647 G C -0.345 174.202 174.900 -0.589 0.000 1.239 647 G CA -0.454 44.449 45.100 -0.329 0.000 1.190 647 G HN 0.779 nan 8.290 nan 0.000 0.549 648 H N -1.709 117.360 119.070 -0.002 0.000 3.278 648 H HA -0.128 4.430 4.556 0.004 0.000 0.142 648 H C -0.322 175.010 175.328 0.008 0.000 1.007 648 H CA -0.081 55.967 56.048 0.001 0.000 1.045 648 H CB -0.373 29.387 29.762 -0.004 0.000 1.951 648 H HN 0.768 nan 8.280 nan 0.000 0.304 649 K N 1.122 121.676 120.400 0.256 0.000 2.312 649 K HA 0.234 4.556 4.320 0.004 0.000 0.287 649 K C -0.251 176.413 176.600 0.105 0.000 1.062 649 K CA 0.053 56.425 56.287 0.142 0.000 0.934 649 K CB 0.986 33.528 32.500 0.070 0.000 1.027 649 K HN 0.388 nan 8.250 nan 0.000 0.478 650 E N 2.818 123.106 120.200 0.147 0.000 2.334 650 E HA 0.444 4.796 4.350 0.004 0.000 0.256 650 E C -0.977 175.630 176.600 0.012 0.000 0.958 650 E CA -0.703 55.749 56.400 0.086 0.000 0.821 650 E CB 0.899 30.674 29.700 0.124 0.000 1.269 650 E HN 0.421 nan 8.360 nan 0.000 0.413 651 L N 1.910 123.112 121.223 -0.035 0.000 2.379 651 L HA 0.384 4.726 4.340 0.004 0.000 0.269 651 L C 1.392 178.251 176.870 -0.019 0.000 1.084 651 L CA -0.648 54.140 54.840 -0.087 0.000 0.802 651 L CB 0.767 42.690 42.059 -0.227 0.000 1.175 651 L HN 0.494 nan 8.230 nan 0.000 0.448 652 K N 1.031 121.436 120.400 0.007 0.000 2.044 652 K HA 0.027 4.350 4.320 0.004 0.000 0.204 652 K C 0.770 177.441 176.600 0.118 0.000 1.049 652 K CA 0.539 56.865 56.287 0.065 0.000 0.945 652 K CB 0.006 32.554 32.500 0.079 0.000 0.724 652 K HN 0.369 nan 8.250 nan 0.000 0.440 653 V N 2.057 122.045 119.914 0.123 0.000 3.830 653 V HA -0.176 3.947 4.120 0.004 0.000 0.292 653 V C 0.722 176.972 176.094 0.260 0.000 1.192 653 V CA 0.614 63.080 62.300 0.276 0.000 1.317 653 V CB -0.100 31.823 31.823 0.168 0.000 1.115 653 V HN 0.402 nan 8.190 nan 0.000 0.501 654 R N -0.389 120.297 120.500 0.311 0.000 2.753 654 R HA 0.223 4.566 4.340 0.004 0.000 0.272 654 R C 0.584 176.920 176.300 0.060 0.000 1.034 654 R CA -0.711 55.437 56.100 0.080 0.000 0.869 654 R CB 0.761 31.015 30.300 -0.076 0.000 1.264 654 R HN 0.689 nan 8.270 nan 0.000 0.481 655 K N 0.626 121.047 120.400 0.035 0.000 2.218 655 K HA -0.149 4.174 4.320 0.004 0.000 0.205 655 K C 1.401 178.022 176.600 0.034 0.000 1.046 655 K CA 2.209 58.529 56.287 0.055 0.000 0.933 655 K CB -0.261 32.269 32.500 0.050 0.000 0.728 655 K HN 0.691 nan 8.250 nan 0.000 0.454 656 G N 0.827 109.594 108.800 -0.056 0.000 2.511 656 G HA2 -0.272 3.690 3.960 0.004 0.000 0.216 656 G HA3 -0.272 3.690 3.960 0.004 0.000 0.216 656 G C 1.211 176.105 174.900 -0.011 0.000 1.218 656 G CA 1.028 46.062 45.100 -0.110 0.000 0.788 656 G HN 0.396 nan 8.290 nan 0.000 0.560 657 H N 0.056 119.194 119.070 0.113 0.000 2.389 657 H HA 0.077 4.635 4.556 0.004 0.000 0.299 657 H C 2.627 178.110 175.328 0.258 0.000 1.081 657 H CA 0.809 56.978 56.048 0.203 0.000 1.345 657 H CB -0.251 29.670 29.762 0.264 0.000 1.393 657 H HN 0.306 nan 8.280 nan 0.000 0.520 658 I N 0.685 121.458 120.570 0.340 0.000 2.567 658 I HA -0.185 3.987 4.170 0.004 0.000 0.257 658 I C 2.264 178.525 176.117 0.240 0.000 1.184 658 I CA 0.706 62.177 61.300 0.285 0.000 1.451 658 I CB -0.002 38.140 38.000 0.236 0.000 1.089 658 I HN 0.177 nan 8.210 nan 0.000 0.441 659 A N -0.519 122.418 122.820 0.196 0.000 2.095 659 A HA -0.037 4.285 4.320 0.004 0.000 0.212 659 A C 2.074 179.752 177.584 0.157 0.000 1.162 659 A CA 0.369 52.500 52.037 0.157 0.000 0.753 659 A CB -0.105 18.964 19.000 0.115 0.000 0.840 659 A HN 0.184 nan 8.150 nan 0.000 0.468 660 K N -0.440 120.055 120.400 0.158 0.000 2.504 660 K HA 0.204 4.526 4.320 0.004 0.000 0.195 660 K C 1.124 177.915 176.600 0.319 0.000 1.036 660 K CA 0.357 56.734 56.287 0.151 0.000 0.984 660 K CB -0.153 32.357 32.500 0.016 0.000 0.788 660 K HN 0.435 nan 8.250 nan 0.000 0.488 661 L N -0.019 121.428 121.223 0.373 0.000 2.567 661 L HA 0.106 4.448 4.340 0.004 0.000 0.225 661 L C 1.856 178.876 176.870 0.249 0.000 1.119 661 L CA 0.151 55.221 54.840 0.384 0.000 0.871 661 L CB 0.133 42.374 42.059 0.304 0.000 1.036 661 L HN 0.265 nan 8.230 nan 0.000 0.459 662 M N -1.581 118.152 119.600 0.223 0.000 2.556 662 M HA 0.021 4.503 4.480 0.004 0.000 0.259 662 M C 2.304 178.709 176.300 0.174 0.000 1.175 662 M CA 1.155 56.568 55.300 0.188 0.000 1.202 662 M CB 0.080 32.789 32.600 0.182 0.000 1.298 662 M HN 0.229 nan 8.290 nan 0.000 0.492 663 A N 0.136 123.057 122.820 0.168 0.000 1.629 663 A HA -0.372 3.950 4.320 0.004 0.000 0.323 663 A C 1.862 179.507 177.584 0.102 0.000 3.767 663 A CA 3.093 55.213 52.037 0.139 0.000 0.895 663 A CB -2.007 17.093 19.000 0.165 0.000 0.766 663 A HN 0.549 nan 8.150 nan 0.000 0.562 664 T N -1.167 113.466 114.554 0.131 0.000 3.060 664 T HA 0.176 4.528 4.350 0.004 0.000 0.249 664 T C 1.311 176.068 174.700 0.094 0.000 1.079 664 T CA 0.725 62.887 62.100 0.103 0.000 1.013 664 T CB 0.123 69.080 68.868 0.149 0.000 0.975 664 T HN 0.637 nan 8.240 nan 0.000 0.518 665 E N 0.551 120.826 120.200 0.125 0.000 2.332 665 E HA 0.013 4.365 4.350 0.004 0.000 0.257 665 E C 1.586 178.267 176.600 0.136 0.000 0.786 665 E CA 0.287 56.768 56.400 0.134 0.000 1.380 665 E CB -0.297 29.498 29.700 0.158 0.000 1.300 665 E HN 0.339 nan 8.360 nan 0.000 0.536 666 Y N 1.873 122.216 120.300 0.071 0.000 2.170 666 Y HA -0.336 4.216 4.550 0.003 0.000 0.274 666 Y C 1.423 177.357 175.900 0.056 0.000 1.253 666 Y CA 1.886 60.020 58.100 0.057 0.000 1.133 666 Y CB -0.406 38.083 38.460 0.049 0.000 0.941 666 Y HN 0.175 nan 8.280 nan 0.000 0.518 667 Q N 2.324 122.013 119.800 -0.184 0.000 3.034 667 Q HA 0.053 4.396 4.340 0.004 0.000 0.249 667 Q C -1.114 174.833 176.000 -0.087 0.000 1.282 667 Q CA 0.369 56.026 55.803 -0.244 0.000 0.918 667 Q CB -0.506 28.122 28.738 -0.183 0.000 1.772 667 Q HN 0.519 nan 8.270 nan 0.000 0.498 679 Y N 3.830 124.161 120.300 0.051 0.000 2.504 679 Y HA 0.329 4.881 4.550 0.004 0.000 0.351 679 Y C 0.189 176.139 175.900 0.083 0.000 0.988 679 Y CA -0.177 57.961 58.100 0.063 0.000 1.239 679 Y CB 0.542 39.047 38.460 0.075 0.000 1.128 679 Y HN 0.083 nan 8.280 nan 0.000 0.525 680 T N 1.779 116.217 114.554 -0.193 0.000 2.940 680 T HA 0.063 4.415 4.350 0.004 0.000 0.288 680 T C 1.040 175.674 174.700 -0.109 0.000 1.033 680 T CA -0.878 61.180 62.100 -0.071 0.000 1.033 680 T CB 1.004 69.887 68.868 0.025 0.000 1.079 680 T HN 0.855 nan 8.240 nan 0.000 0.496 681 W N 1.211 122.413 121.300 -0.165 0.000 2.274 681 W HA -0.299 4.364 4.660 0.004 0.000 0.314 681 W C 1.851 178.288 176.519 -0.137 0.000 1.254 681 W CA 2.017 59.281 57.345 -0.135 0.000 1.265 681 W CB -0.443 28.989 29.460 -0.047 0.000 1.141 681 W HN 0.679 nan 8.180 nan 0.000 0.505 682 S N 0.101 115.845 115.700 0.074 0.000 2.402 682 S HA -0.184 4.288 4.470 0.004 0.000 0.229 682 S C 2.034 176.512 174.600 -0.203 0.000 1.021 682 S CA 1.667 59.817 58.200 -0.083 0.000 0.974 682 S CB -0.442 62.768 63.200 0.017 0.000 0.800 682 S HN 0.468 nan 8.310 nan 0.000 0.484 683 S N 1.584 117.168 115.700 -0.195 0.000 2.399 683 S HA -0.002 4.471 4.470 0.004 0.000 0.231 683 S C 1.794 176.233 174.600 -0.269 0.000 1.022 683 S CA 0.700 58.798 58.200 -0.170 0.000 0.983 683 S CB -0.680 62.470 63.200 -0.083 0.000 0.803 683 S HN 0.462 nan 8.310 nan 0.000 0.480 684 L N 0.174 121.134 121.223 -0.438 0.000 1.990 684 L HA -0.118 4.224 4.340 0.004 0.000 0.213 684 L C 2.659 179.272 176.870 -0.428 0.000 1.072 684 L CA 1.143 55.718 54.840 -0.441 0.000 0.755 684 L CB -0.732 40.991 42.059 -0.560 0.000 0.889 684 L HN 0.311 nan 8.230 nan 0.000 0.432 685 L N 0.409 121.289 121.223 -0.571 0.000 2.051 685 L HA -0.295 4.047 4.340 0.004 0.000 0.214 685 L C 2.202 178.916 176.870 -0.261 0.000 1.076 685 L CA 1.988 56.559 54.840 -0.448 0.000 0.758 685 L CB -0.968 40.834 42.059 -0.428 0.000 0.890 685 L HN 0.427 nan 8.230 nan 0.000 0.433 686 N N -1.073 117.504 118.700 -0.204 0.000 2.415 686 N HA -0.069 4.673 4.740 0.004 0.000 0.176 686 N C 0.805 176.262 175.510 -0.088 0.000 1.042 686 N CA 0.408 53.383 53.050 -0.125 0.000 0.902 686 N CB 0.060 38.497 38.487 -0.084 0.000 0.986 686 N HN 0.512 nan 8.380 nan 0.000 0.447 687 E N 0.905 121.049 120.200 -0.093 0.000 2.403 687 E HA 0.115 4.467 4.350 0.004 0.000 0.187 687 E C 0.182 176.742 176.600 -0.066 0.000 1.073 687 E CA -0.461 55.908 56.400 -0.052 0.000 0.888 687 E CB -0.027 29.656 29.700 -0.028 0.000 1.035 687 E HN 0.283 nan 8.360 nan 0.000 0.471 688 G N 1.746 110.492 108.800 -0.091 0.000 2.363 688 G HA2 -0.262 3.700 3.960 0.004 0.000 0.286 688 G HA3 -0.262 3.700 3.960 0.004 0.000 0.286 688 G C 0.303 175.166 174.900 -0.063 0.000 0.975 688 G CA 0.097 45.152 45.100 -0.076 0.000 1.309 688 G HN 0.363 nan 8.290 nan 0.000 0.491 689 L N -0.623 120.537 121.223 -0.105 0.000 2.959 689 L HA 0.511 4.854 4.340 0.004 0.000 0.259 689 L C 0.511 177.400 176.870 0.031 0.000 1.185 689 L CA -0.238 54.587 54.840 -0.026 0.000 0.998 689 L CB 0.675 42.683 42.059 -0.084 0.000 1.337 689 L HN 0.277 nan 8.230 nan 0.000 0.555 690 V N -0.638 119.255 119.914 -0.035 0.000 3.174 690 V HA 0.349 4.471 4.120 0.004 0.000 0.280 690 V C -1.390 174.702 176.094 -0.004 0.000 1.554 690 V CA -0.679 61.607 62.300 -0.024 0.000 1.016 690 V CB 3.362 35.012 31.823 -0.288 0.000 1.197 690 V HN 0.109 nan 8.190 nan 0.000 0.453 691 E N 1.215 121.480 120.200 0.108 0.000 2.449 691 E HA 0.524 4.876 4.350 0.004 0.000 0.278 691 E C -1.964 174.838 176.600 0.337 0.000 0.992 691 E CA -0.743 55.747 56.400 0.150 0.000 0.807 691 E CB 2.841 32.629 29.700 0.146 0.000 1.350 691 E HN 0.673 nan 8.360 nan 0.000 0.462 692 Y N 1.387 121.729 120.300 0.069 0.000 2.331 692 Y HA 0.369 4.921 4.550 0.004 0.000 0.338 692 Y C -0.012 175.951 175.900 0.106 0.000 0.976 692 Y CA -1.137 57.053 58.100 0.151 0.000 1.137 692 Y CB 1.082 39.674 38.460 0.219 0.000 1.172 692 Y HN 0.183 nan 8.280 nan 0.000 0.478 693 I N 4.687 125.406 120.570 0.248 0.000 2.392 693 I HA 0.128 4.301 4.170 0.004 0.000 0.295 693 I C -0.418 175.826 176.117 0.211 0.000 0.985 693 I CA -0.705 60.705 61.300 0.182 0.000 1.221 693 I CB 1.550 39.616 38.000 0.111 0.000 1.366 693 I HN 0.634 nan 8.210 nan 0.000 0.467 694 D N 5.084 125.577 120.400 0.154 0.000 2.168 694 D HA 0.517 5.159 4.640 0.004 0.000 0.246 694 D C 0.668 177.065 176.300 0.161 0.000 1.050 694 D CA -0.317 53.791 54.000 0.179 0.000 0.857 694 D CB 2.036 42.890 40.800 0.089 0.000 1.169 694 D HN 0.634 nan 8.370 nan 0.000 0.453 695 A N 2.786 125.737 122.820 0.219 0.000 5.153 695 A HA -0.461 3.861 4.320 0.004 0.000 0.367 695 A C 1.765 179.465 177.584 0.193 0.000 1.537 695 A CA 2.460 54.647 52.037 0.250 0.000 0.694 695 A CB -1.856 17.248 19.000 0.173 0.000 1.545 695 A HN 0.690 nan 8.150 nan 0.000 0.422 696 E N -0.604 119.629 120.200 0.054 0.000 2.113 696 E HA -0.251 4.101 4.350 0.004 0.000 0.210 696 E C 1.960 178.619 176.600 0.097 0.000 1.040 696 E CA 2.264 58.673 56.400 0.015 0.000 0.847 696 E CB -0.344 29.354 29.700 -0.003 0.000 0.755 696 E HN 0.740 nan 8.360 nan 0.000 0.459 697 E N -0.406 119.861 120.200 0.111 0.000 2.338 697 E HA -0.174 4.178 4.350 0.004 0.000 0.197 697 E C 1.859 178.548 176.600 0.147 0.000 1.007 697 E CA 0.765 57.240 56.400 0.126 0.000 0.849 697 E CB -0.021 29.754 29.700 0.125 0.000 0.774 697 E HN 0.360 nan 8.360 nan 0.000 0.506 698 E N 0.459 120.754 120.200 0.158 0.000 2.152 698 E HA -0.170 4.182 4.350 0.004 0.000 0.192 698 E C 1.589 178.276 176.600 0.145 0.000 0.983 698 E CA 0.475 56.971 56.400 0.160 0.000 0.818 698 E CB 0.157 29.957 29.700 0.167 0.000 0.758 698 E HN 0.213 nan 8.360 nan 0.000 0.467 699 E N 0.293 120.586 120.200 0.154 0.000 2.339 699 E HA -0.167 4.185 4.350 0.004 0.000 0.201 699 E C 1.189 177.845 176.600 0.094 0.000 1.015 699 E CA 1.342 57.818 56.400 0.127 0.000 0.841 699 E CB -0.025 29.761 29.700 0.143 0.000 0.754 699 E HN 0.217 nan 8.360 nan 0.000 0.508 700 S N -0.131 115.630 115.700 0.102 0.000 2.711 700 S HA 0.235 4.707 4.470 0.004 0.000 0.247 700 S C 0.434 175.081 174.600 0.078 0.000 1.079 700 S CA -0.741 57.504 58.200 0.074 0.000 1.050 700 S CB -0.113 63.125 63.200 0.064 0.000 0.885 700 S HN 0.166 nan 8.310 nan 0.000 0.498 701 I N -1.894 118.749 120.570 0.122 0.000 3.516 701 I HA 0.783 4.955 4.170 0.004 0.000 0.302 701 I C -1.736 174.463 176.117 0.138 0.000 1.143 701 I CA -1.857 59.534 61.300 0.151 0.000 1.003 701 I CB 1.195 39.450 38.000 0.426 0.000 1.347 701 I HN 0.161 nan 8.210 nan 0.000 0.486 702 L N 2.624 123.964 121.223 0.196 0.000 2.427 702 L HA 0.561 4.903 4.340 0.004 0.000 0.264 702 L C -0.780 176.314 176.870 0.375 0.000 0.989 702 L CA -0.230 54.727 54.840 0.194 0.000 0.865 702 L CB 0.539 42.666 42.059 0.113 0.000 1.209 702 L HN 0.467 nan 8.230 nan 0.000 0.430 703 I N 3.202 123.946 120.570 0.289 0.000 2.532 703 I HA 0.608 4.781 4.170 0.004 0.000 0.292 703 I C 0.696 176.931 176.117 0.197 0.000 1.014 703 I CA -0.393 61.065 61.300 0.262 0.000 1.340 703 I CB 1.465 39.548 38.000 0.139 0.000 1.422 703 I HN 0.680 nan 8.210 nan 0.000 0.528 704 A N 4.861 127.589 122.820 -0.153 0.000 2.281 704 A HA 0.609 4.931 4.320 0.004 0.000 0.329 704 A C 0.420 177.874 177.584 -0.216 0.000 1.122 704 A CA -0.638 51.084 52.037 -0.524 0.000 0.850 704 A CB 1.380 19.528 19.000 -1.420 0.000 1.207 704 A HN 0.832 nan 8.150 nan 0.000 0.495 705 M N -0.234 119.267 119.600 -0.166 0.000 2.351 705 M HA 0.095 4.577 4.480 0.004 0.000 0.250 705 M C 1.163 177.407 176.300 -0.094 0.000 1.145 705 M CA 1.376 56.622 55.300 -0.091 0.000 1.192 705 M CB -0.185 32.363 32.600 -0.086 0.000 1.267 705 M HN 0.816 nan 8.290 nan 0.000 0.467 706 Q N -0.009 119.734 119.800 -0.094 0.000 2.162 706 Q HA 0.252 4.594 4.340 0.004 0.000 0.197 706 Q C -2.016 173.918 176.000 -0.110 0.000 1.013 706 Q CA -1.757 54.014 55.803 -0.053 0.000 1.040 706 Q CB 0.127 28.848 28.738 -0.028 0.000 1.114 706 Q HN 0.177 nan 8.270 nan 0.000 0.547 707 P HA 0.025 nan 4.420 nan 0.000 0.258 707 P C -0.255 176.982 177.300 -0.106 0.000 1.174 707 P CA 0.406 63.397 63.100 -0.181 0.000 0.899 707 P CB 0.561 32.140 31.700 -0.202 0.000 1.163 708 E N 1.595 121.767 120.200 -0.047 0.000 4.497 708 E HA -0.216 4.136 4.350 0.004 0.000 0.578 708 E C 0.376 176.986 176.600 0.016 0.000 1.426 708 E CA 0.615 57.012 56.400 -0.005 0.000 3.916 708 E CB -1.462 28.254 29.700 0.027 0.000 1.392 708 E HN -0.181 nan 8.360 nan 0.000 0.328 709 D N -0.605 119.825 120.400 0.050 0.000 6.856 709 D HA -0.216 4.426 4.640 0.004 0.000 0.175 709 D C 0.919 177.243 176.300 0.040 0.000 2.045 709 D CA 1.577 55.609 54.000 0.053 0.000 0.868 709 D CB -0.375 40.414 40.800 -0.017 0.000 0.688 709 D HN 0.324 nan 8.370 nan 0.000 0.683 710 L N -0.692 120.558 121.223 0.046 0.000 2.728 710 L HA 0.269 4.611 4.340 0.004 0.000 0.238 710 L C -0.116 176.821 176.870 0.112 0.000 1.143 710 L CA 0.008 54.905 54.840 0.095 0.000 0.937 710 L CB -0.040 41.977 42.059 -0.069 0.000 1.225 710 L HN 0.049 nan 8.230 nan 0.000 0.507 711 E N 0.481 120.706 120.200 0.043 0.000 2.626 711 E HA 0.221 4.573 4.350 0.004 0.000 0.345 711 E C -2.897 173.596 176.600 -0.179 0.000 1.060 711 E CA -0.705 55.641 56.400 -0.090 0.000 0.808 711 E CB 0.489 30.109 29.700 -0.133 0.000 1.366 711 E HN -0.001 nan 8.360 nan 0.000 0.399 712 P HA 0.517 nan 4.420 nan 0.000 0.328 712 P C -0.359 176.873 177.300 -0.114 0.000 1.512 712 P CA -0.383 62.684 63.100 -0.054 0.000 1.268 712 P CB 1.842 33.557 31.700 0.024 0.000 1.766 713 A N 2.019 124.808 122.820 -0.053 0.000 2.407 713 A HA 0.117 4.440 4.320 0.004 0.000 0.257 713 A C 0.411 177.887 177.584 -0.180 0.000 1.131 713 A CA 0.060 52.030 52.037 -0.112 0.000 0.803 713 A CB -0.386 18.610 19.000 -0.006 0.000 1.083 713 A HN 0.565 nan 8.150 nan 0.000 0.512 714 E N -0.123 119.965 120.200 -0.188 0.000 2.152 714 E HA 0.457 4.809 4.350 0.004 0.000 0.285 714 E C 0.078 176.667 176.600 -0.019 0.000 1.043 714 E CA 0.171 56.510 56.400 -0.102 0.000 0.839 714 E CB 1.201 30.844 29.700 -0.095 0.000 1.069 714 E HN 0.677 nan 8.360 nan 0.000 0.399 723 V N 0.904 120.826 119.914 0.013 0.000 2.540 723 V HA 0.058 4.180 4.120 0.004 0.000 0.218 723 V C 0.470 176.573 176.094 0.014 0.000 1.359 723 V CA 0.674 62.981 62.300 0.012 0.000 1.435 723 V CB -2.311 29.517 31.823 0.008 0.000 1.377 723 V HN 0.614 nan 8.190 nan 0.000 0.495 724 D N 5.854 126.265 120.400 0.018 0.000 7.612 724 D HA -0.136 4.506 4.640 0.004 0.000 0.171 724 D C -0.613 175.697 176.300 0.016 0.000 1.375 724 D CA -0.268 53.744 54.000 0.019 0.000 0.857 724 D CB 0.651 41.465 40.800 0.023 0.000 1.630 724 D HN 0.493 nan 8.370 nan 0.000 0.943 725 P HA -0.132 nan 4.420 nan 0.000 0.229 725 P C 0.514 177.822 177.300 0.013 0.000 1.147 725 P CA 1.292 64.400 63.100 0.013 0.000 0.766 725 P CB 0.028 31.736 31.700 0.014 0.000 0.775 726 A N -1.639 121.190 122.820 0.015 0.000 2.259 726 A HA 0.090 4.413 4.320 0.004 0.000 0.213 726 A C 1.037 178.627 177.584 0.010 0.000 1.209 726 A CA -0.036 52.011 52.037 0.015 0.000 0.910 726 A CB -0.107 18.905 19.000 0.021 0.000 0.946 726 A HN 0.021 nan 8.150 nan 0.000 0.497 727 K N 1.701 122.107 120.400 0.011 0.000 2.440 727 K HA 0.077 4.399 4.320 0.004 0.000 0.270 727 K C 0.257 176.853 176.600 -0.006 0.000 0.980 727 K CA 0.097 56.388 56.287 0.006 0.000 0.953 727 K CB 0.512 33.019 32.500 0.011 0.000 0.925 727 K HN 0.605 nan 8.250 nan 0.000 0.497 728 R N 1.097 121.586 120.500 -0.018 0.000 2.828 728 R HA 0.315 4.657 4.340 0.004 0.000 0.270 728 R C 0.223 176.512 176.300 -0.017 0.000 1.244 728 R CA -0.564 55.518 56.100 -0.029 0.000 1.143 728 R CB 0.159 30.428 30.300 -0.051 0.000 1.128 728 R HN 0.307 nan 8.270 nan 0.000 0.587 729 I N 0.811 121.369 120.570 -0.019 0.000 2.439 729 I HA 0.359 4.531 4.170 0.004 0.000 0.283 729 I C 0.114 176.219 176.117 -0.019 0.000 1.023 729 I CA -0.613 60.677 61.300 -0.016 0.000 1.100 729 I CB 1.365 39.356 38.000 -0.014 0.000 1.238 729 I HN 0.623 nan 8.210 nan 0.000 0.445 730 R N 3.149 123.634 120.500 -0.026 0.000 2.719 730 R HA 0.738 5.080 4.340 0.004 0.000 0.233 730 R C 0.396 176.676 176.300 -0.035 0.000 1.257 730 R CA -0.483 55.596 56.100 -0.035 0.000 1.109 730 R CB 1.855 32.128 30.300 -0.044 0.000 1.447 730 R HN 0.352 nan 8.270 nan 0.000 0.537 731 V N -1.527 118.366 119.914 -0.035 0.000 4.232 731 V HA 0.321 4.443 4.120 0.004 0.000 0.187 731 V C 0.262 176.364 176.094 0.014 0.000 1.113 731 V CA 0.069 62.371 62.300 0.003 0.000 1.463 731 V CB 0.871 32.698 31.823 0.007 0.000 1.877 731 V HN 0.654 nan 8.190 nan 0.000 0.437 732 S N -2.448 113.294 115.700 0.069 0.000 2.911 732 S HA 0.411 4.884 4.470 0.004 0.000 0.319 732 S C 0.646 175.246 174.600 -0.001 0.000 1.154 732 S CA -0.356 57.829 58.200 -0.025 0.000 0.857 732 S CB 1.109 64.224 63.200 -0.141 0.000 1.279 732 S HN 0.597 nan 8.310 nan 0.000 0.593 733 H N 0.519 119.590 119.070 0.002 0.000 2.462 733 H HA 0.101 4.659 4.556 0.004 0.000 0.292 733 H C 0.124 175.497 175.328 0.075 0.000 1.049 733 H CA 0.914 56.990 56.048 0.048 0.000 1.334 733 H CB -0.299 29.465 29.762 0.003 0.000 1.404 733 H HN 0.511 nan 8.280 nan 0.000 0.544 734 H N 0.970 120.090 119.070 0.083 0.000 3.950 734 H HA 0.112 4.670 4.556 0.004 0.000 0.167 734 H C -0.144 175.130 175.328 -0.090 0.000 0.570 734 H CA 0.258 56.306 56.048 0.000 0.000 1.325 734 H CB -1.045 28.710 29.762 -0.012 0.000 1.475 734 H HN 0.457 nan 8.280 nan 0.000 0.725 735 A N 2.286 125.066 122.820 -0.066 0.000 2.538 735 A HA 0.317 4.639 4.320 0.004 0.000 0.306 735 A C -0.113 177.248 177.584 -0.371 0.000 0.999 735 A CA -0.678 51.183 52.037 -0.294 0.000 0.829 735 A CB 0.998 19.688 19.000 -0.517 0.000 1.143 735 A HN 0.350 nan 8.150 nan 0.000 0.378 736 T N 2.337 116.693 114.554 -0.330 0.000 3.446 736 T HA 0.565 4.917 4.350 0.004 0.000 0.289 736 T C 0.183 174.778 174.700 -0.174 0.000 1.203 736 T CA 0.791 62.760 62.100 -0.219 0.000 1.645 736 T CB 0.430 69.235 68.868 -0.104 0.000 0.841 736 T HN 0.934 nan 8.240 nan 0.000 0.617 737 T N 0.319 114.708 114.554 -0.275 0.000 3.555 737 T HA 0.264 4.616 4.350 0.004 0.000 0.290 737 T C 0.164 174.828 174.700 -0.060 0.000 0.893 737 T CA -0.427 61.567 62.100 -0.175 0.000 1.029 737 T CB -0.248 68.470 68.868 -0.250 0.000 1.188 737 T HN 0.512 nan 8.240 nan 0.000 0.526 738 F N 2.757 122.701 119.950 -0.009 0.000 1.941 738 F HA -0.225 4.304 4.527 0.004 0.000 0.388 738 F C 1.649 177.435 175.800 -0.024 0.000 0.684 738 F CA 1.014 59.017 58.000 0.004 0.000 0.930 738 F CB 0.259 39.260 39.000 0.002 0.000 0.799 738 F HN 0.341 nan 8.300 nan 0.000 0.561 739 T N -1.827 112.860 114.554 0.222 0.000 3.080 739 T HA 0.238 4.590 4.350 0.004 0.000 0.280 739 T C -0.746 173.954 174.700 -0.001 0.000 0.926 739 T CA 0.228 62.296 62.100 -0.052 0.000 0.883 739 T CB 0.263 68.863 68.868 -0.447 0.000 1.194 739 T HN 0.755 nan 8.240 nan 0.000 0.541 740 H N -0.383 118.753 119.070 0.109 0.000 3.140 740 H HA 0.643 5.201 4.556 0.004 0.000 0.336 740 H C -1.147 174.213 175.328 0.054 0.000 1.142 740 H CA -1.861 54.240 56.048 0.089 0.000 1.308 740 H CB 0.273 30.101 29.762 0.110 0.000 1.970 740 H HN 0.331 nan 8.280 nan 0.000 0.521 741 C N 2.249 121.612 119.300 0.104 0.000 2.456 741 C HA 0.703 5.165 4.460 0.004 0.000 0.325 741 C C 0.321 175.387 174.990 0.126 0.000 1.217 741 C CA -0.432 58.574 59.018 -0.020 0.000 1.687 741 C CB 0.680 28.303 27.740 -0.195 0.000 2.270 741 C HN 1.024 nan 8.230 nan 0.000 0.499 742 E N 2.802 123.045 120.200 0.071 0.000 2.413 742 E HA 0.105 4.457 4.350 0.004 0.000 0.263 742 E C 1.166 177.854 176.600 0.147 0.000 1.015 742 E CA -0.070 56.389 56.400 0.099 0.000 0.916 742 E CB 0.469 30.215 29.700 0.076 0.000 0.947 742 E HN 0.602 nan 8.360 nan 0.000 0.440 743 I N 2.289 122.859 120.570 -0.000 0.000 2.226 743 I HA -0.152 4.021 4.170 0.004 0.000 0.245 743 I C 0.739 176.832 176.117 -0.041 0.000 1.100 743 I CA 1.623 62.836 61.300 -0.145 0.000 1.374 743 I CB -1.137 36.581 38.000 -0.470 0.000 1.057 743 I HN 0.665 nan 8.210 nan 0.000 0.413 744 H N -1.315 117.618 119.070 -0.229 0.000 3.091 744 H HA 0.124 4.682 4.556 0.004 0.000 0.298 744 H C -2.359 172.857 175.328 -0.187 0.000 1.313 744 H CA -0.722 55.176 56.048 -0.251 0.000 1.638 744 H CB 1.040 30.539 29.762 -0.438 0.000 2.329 744 H HN -0.241 nan 8.280 nan 0.000 0.409 745 P HA -0.201 nan 4.420 nan 0.000 0.216 745 P C 1.165 178.376 177.300 -0.148 0.000 1.150 745 P CA 1.968 64.816 63.100 -0.420 0.000 0.843 745 P CB 0.134 31.486 31.700 -0.580 0.000 0.787 746 S N -0.625 115.126 115.700 0.084 0.000 2.493 746 S HA -0.106 4.367 4.470 0.004 0.000 0.243 746 S C 1.430 176.114 174.600 0.141 0.000 0.991 746 S CA 0.956 59.364 58.200 0.347 0.000 0.957 746 S CB -1.127 62.449 63.200 0.627 0.000 0.756 746 S HN 0.130 nan 8.310 nan 0.000 0.521 747 M N 1.446 121.037 119.600 -0.015 0.000 2.652 747 M HA 0.317 4.799 4.480 0.004 0.000 0.226 747 M C 0.917 177.091 176.300 -0.210 0.000 1.244 747 M CA 0.276 55.524 55.300 -0.086 0.000 0.986 747 M CB -1.304 31.209 32.600 -0.146 0.000 1.666 747 M HN 0.442 nan 8.290 nan 0.000 0.460 748 I N -2.135 118.276 120.570 -0.264 0.000 3.793 748 I HA 0.200 4.372 4.170 0.004 0.000 0.315 748 I C 0.604 176.573 176.117 -0.246 0.000 1.275 748 I CA -0.013 61.035 61.300 -0.418 0.000 1.214 748 I CB -0.138 37.486 38.000 -0.626 0.000 1.018 748 I HN 0.128 nan 8.210 nan 0.000 0.439 749 L N 0.997 122.139 121.223 -0.136 0.000 2.416 749 L HA 0.756 5.098 4.340 0.004 0.000 0.263 749 L C 0.668 177.494 176.870 -0.073 0.000 1.065 749 L CA -0.586 54.201 54.840 -0.089 0.000 0.798 749 L CB 1.237 43.271 42.059 -0.041 0.000 1.267 749 L HN 0.170 nan 8.230 nan 0.000 0.467 750 G N -0.988 107.770 108.800 -0.069 0.000 2.816 750 G HA2 0.443 4.405 3.960 0.004 0.000 0.288 750 G HA3 0.443 4.405 3.960 0.004 0.000 0.288 750 G C 0.542 175.411 174.900 -0.050 0.000 1.334 750 G CA -0.501 44.565 45.100 -0.057 0.000 0.978 750 G HN 0.392 nan 8.290 nan 0.000 0.493 751 V N 0.729 120.617 119.914 -0.043 0.000 2.256 751 V HA -0.395 3.727 4.120 0.004 0.000 0.256 751 V C 3.183 179.231 176.094 -0.076 0.000 1.060 751 V CA 3.826 66.093 62.300 -0.055 0.000 1.081 751 V CB -1.062 30.724 31.823 -0.063 0.000 0.709 751 V HN 0.996 nan 8.190 nan 0.000 0.471 752 A N -0.827 121.947 122.820 -0.078 0.000 1.828 752 A HA -0.080 4.242 4.320 0.004 0.000 0.215 752 A C 2.376 179.888 177.584 -0.119 0.000 1.203 752 A CA 2.643 54.622 52.037 -0.096 0.000 0.614 752 A CB -1.319 17.634 19.000 -0.078 0.000 0.844 752 A HN 1.050 nan 8.150 nan 0.000 0.445 753 A N -0.293 122.465 122.820 -0.104 0.000 2.159 753 A HA -0.137 4.186 4.320 0.004 0.000 0.222 753 A C 2.164 179.661 177.584 -0.145 0.000 1.163 753 A CA 2.075 54.037 52.037 -0.124 0.000 0.664 753 A CB -0.983 17.954 19.000 -0.105 0.000 0.803 753 A HN 0.516 nan 8.150 nan 0.000 0.470 754 S N -0.357 115.271 115.700 -0.121 0.000 2.537 754 S HA -0.025 4.447 4.470 0.004 0.000 0.240 754 S C 1.239 175.723 174.600 -0.194 0.000 0.981 754 S CA 0.573 58.706 58.200 -0.112 0.000 0.948 754 S CB -0.212 62.969 63.200 -0.032 0.000 0.759 754 S HN 0.485 nan 8.310 nan 0.000 0.531 755 I N 1.234 121.637 120.570 -0.279 0.000 3.564 755 I HA 0.242 4.414 4.170 0.004 0.000 0.294 755 I C 0.528 176.383 176.117 -0.437 0.000 1.289 755 I CA 0.005 61.035 61.300 -0.451 0.000 1.325 755 I CB -0.988 36.674 38.000 -0.564 0.000 1.039 755 I HN 0.249 nan 8.210 nan 0.000 0.474 756 I N 3.147 123.510 120.570 -0.345 0.000 2.428 756 I HA 0.212 4.384 4.170 0.004 0.000 0.296 756 I C -2.105 173.761 176.117 -0.419 0.000 0.985 756 I CA -1.811 59.260 61.300 -0.383 0.000 1.260 756 I CB 1.934 39.752 38.000 -0.304 0.000 1.389 756 I HN -0.095 nan 8.210 nan 0.000 0.484 757 P HA 0.203 nan 4.420 nan 0.000 0.287 757 P C -0.486 176.453 177.300 -0.602 0.000 1.281 757 P CA -0.083 62.644 63.100 -0.622 0.000 0.781 757 P CB 0.158 31.541 31.700 -0.529 0.000 0.903 758 F N 1.881 121.723 119.950 -0.180 0.000 2.943 758 F HA -0.165 4.365 4.527 0.004 0.000 0.258 758 F C -1.093 174.640 175.800 -0.112 0.000 0.995 758 F CA -0.537 57.386 58.000 -0.129 0.000 0.896 758 F CB -1.291 37.629 39.000 -0.134 0.000 0.821 758 F HN 0.345 nan 8.300 nan 0.000 0.828 759 P HA -0.057 nan 4.420 nan 0.000 0.245 759 P C 0.813 178.132 177.300 0.032 0.000 1.212 759 P CA 1.160 64.263 63.100 0.004 0.000 0.774 759 P CB 0.124 31.773 31.700 -0.086 0.000 0.999 760 D N -0.524 119.892 120.400 0.026 0.000 2.084 760 D HA -0.186 4.456 4.640 0.004 0.000 0.196 760 D C 1.048 177.409 176.300 0.102 0.000 0.985 760 D CA 1.163 55.162 54.000 -0.002 0.000 0.826 760 D CB -1.939 38.803 40.800 -0.098 0.000 0.978 760 D HN 0.382 nan 8.370 nan 0.000 0.456 761 H N 0.653 119.697 119.070 -0.043 0.000 4.288 761 H HA 0.256 4.814 4.556 0.004 0.000 0.184 761 H C -0.343 175.000 175.328 0.025 0.000 1.451 761 H CA 0.053 56.082 56.048 -0.031 0.000 1.364 761 H CB -1.210 28.498 29.762 -0.091 0.000 1.615 761 H HN 0.169 nan 8.280 nan 0.000 0.800 762 N N 1.320 120.109 118.700 0.148 0.000 2.554 762 N HA -0.042 4.700 4.740 0.004 0.000 0.271 762 N C -1.043 174.506 175.510 0.064 0.000 1.081 762 N CA -0.524 52.595 53.050 0.115 0.000 0.994 762 N CB 1.874 40.446 38.487 0.142 0.000 1.641 762 N HN 0.310 nan 8.380 nan 0.000 0.511 763 Q N 2.007 121.840 119.800 0.055 0.000 2.304 763 Q HA 0.028 4.370 4.340 0.004 0.000 0.301 763 Q C 0.174 176.177 176.000 0.005 0.000 1.063 763 Q CA 0.638 56.458 55.803 0.029 0.000 0.947 763 Q CB 0.924 29.677 28.738 0.025 0.000 1.201 763 Q HN 0.698 nan 8.270 nan 0.000 0.389 764 S N 4.045 119.738 115.700 -0.012 0.000 2.370 764 S HA -0.069 4.403 4.470 0.004 0.000 0.226 764 S C -1.198 173.342 174.600 -0.099 0.000 1.033 764 S CA 1.443 59.620 58.200 -0.039 0.000 1.011 764 S CB -0.438 62.747 63.200 -0.025 0.000 0.852 764 S HN 0.701 nan 8.310 nan 0.000 0.457 765 P HA 0.064 nan 4.420 nan 0.000 0.236 765 P C 1.169 178.208 177.300 -0.434 0.000 1.177 765 P CA 0.454 63.354 63.100 -0.334 0.000 0.773 765 P CB 0.039 31.521 31.700 -0.364 0.000 0.878 766 R N 0.480 120.902 120.500 -0.130 0.000 2.062 766 R HA -0.025 4.317 4.340 0.004 0.000 0.231 766 R C 1.865 178.163 176.300 -0.003 0.000 1.136 766 R CA 0.973 57.099 56.100 0.043 0.000 0.948 766 R CB -1.486 28.904 30.300 0.149 0.000 0.845 766 R HN 0.182 nan 8.270 nan 0.000 0.430 767 N N 0.241 118.927 118.700 -0.023 0.000 2.184 767 N HA -0.135 4.607 4.740 0.004 0.000 0.190 767 N C 1.417 176.883 175.510 -0.073 0.000 1.011 767 N CA 1.623 54.653 53.050 -0.034 0.000 0.867 767 N CB -0.354 38.099 38.487 -0.056 0.000 0.993 767 N HN 0.212 nan 8.380 nan 0.000 0.433 768 T N -0.465 113.991 114.554 -0.163 0.000 3.055 768 T HA 0.025 4.377 4.350 0.004 0.000 0.265 768 T C 1.377 176.013 174.700 -0.107 0.000 1.111 768 T CA 0.498 62.497 62.100 -0.168 0.000 1.118 768 T CB -0.048 68.660 68.868 -0.267 0.000 0.909 768 T HN 0.381 nan 8.240 nan 0.000 0.501 769 Y N 0.692 120.982 120.300 -0.017 0.000 2.262 769 Y HA 0.043 4.596 4.550 0.004 0.000 0.295 769 Y C 2.617 178.504 175.900 -0.022 0.000 1.121 769 Y CA 0.083 58.172 58.100 -0.018 0.000 1.144 769 Y CB -0.099 38.356 38.460 -0.009 0.000 1.043 769 Y HN 0.056 nan 8.280 nan 0.000 0.528 770 Q N 0.833 120.729 119.800 0.159 0.000 2.585 770 Q HA -0.114 4.228 4.340 0.004 0.000 0.219 770 Q C 0.886 176.894 176.000 0.014 0.000 0.984 770 Q CA 1.421 57.264 55.803 0.067 0.000 0.915 770 Q CB -0.375 28.380 28.738 0.027 0.000 0.967 770 Q HN 0.204 nan 8.270 nan 0.000 0.530 771 S N -1.487 114.220 115.700 0.013 0.000 2.554 771 S HA 0.432 4.905 4.470 0.004 0.000 0.226 771 S C 0.927 175.517 174.600 -0.018 0.000 0.980 771 S CA 0.141 58.326 58.200 -0.025 0.000 0.939 771 S CB 0.935 64.106 63.200 -0.049 0.000 0.832 771 S HN 0.466 nan 8.310 nan 0.000 0.486 772 A N 0.300 123.125 122.820 0.010 0.000 2.324 772 A HA 0.470 4.792 4.320 0.004 0.000 0.220 772 A C 1.614 179.187 177.584 -0.018 0.000 1.209 772 A CA 0.017 52.053 52.037 -0.002 0.000 0.918 772 A CB -0.069 18.948 19.000 0.027 0.000 0.959 772 A HN 0.388 nan 8.150 nan 0.000 0.507 773 M N -1.244 118.352 119.600 -0.007 0.000 2.544 773 M HA 0.136 4.619 4.480 0.004 0.000 0.251 773 M C 2.250 178.531 176.300 -0.032 0.000 1.189 773 M CA 1.098 56.382 55.300 -0.027 0.000 1.218 773 M CB -0.279 32.317 32.600 -0.007 0.000 1.259 773 M HN 0.468 nan 8.290 nan 0.000 0.495 774 G N 1.666 110.459 108.800 -0.011 0.000 3.437 774 G HA2 -0.333 3.629 3.960 0.004 0.000 0.238 774 G HA3 -0.333 3.629 3.960 0.004 0.000 0.238 774 G C 1.125 176.036 174.900 0.018 0.000 1.054 774 G CA 1.700 46.802 45.100 0.004 0.000 0.704 774 G HN 0.474 nan 8.290 nan 0.000 0.713 775 K N -0.134 120.254 120.400 -0.020 0.000 2.551 775 K HA 0.222 4.544 4.320 0.004 0.000 0.204 775 K C 1.147 177.687 176.600 -0.101 0.000 1.033 775 K CA 0.173 56.441 56.287 -0.032 0.000 1.187 775 K CB 0.482 32.947 32.500 -0.059 0.000 0.900 775 K HN 0.405 nan 8.250 nan 0.000 0.499 776 Q N -0.226 119.502 119.800 -0.121 0.000 1.932 776 Q HA 0.189 4.531 4.340 0.004 0.000 0.191 776 Q C -0.898 174.970 176.000 -0.220 0.000 0.777 776 Q CA -0.224 55.377 55.803 -0.337 0.000 0.953 776 Q CB 1.373 29.935 28.738 -0.293 0.000 1.231 776 Q HN 0.290 nan 8.270 nan 0.000 0.418 777 A N 0.808 123.630 122.820 0.004 0.000 2.322 777 A HA 0.643 4.965 4.320 0.004 0.000 0.269 777 A C -0.364 177.368 177.584 0.245 0.000 1.094 777 A CA -0.132 51.963 52.037 0.096 0.000 0.807 777 A CB 0.628 19.712 19.000 0.139 0.000 1.047 777 A HN 0.365 nan 8.150 nan 0.000 0.487 778 M N 0.567 120.271 119.600 0.174 0.000 2.598 778 M HA 0.629 5.111 4.480 0.004 0.000 0.317 778 M C 0.436 176.815 176.300 0.132 0.000 1.201 778 M CA 0.672 56.087 55.300 0.192 0.000 0.971 778 M CB 2.145 34.823 32.600 0.129 0.000 1.657 778 M HN 1.106 nan 8.290 nan 0.000 0.470 779 G N 0.318 109.163 108.800 0.076 0.000 2.367 779 G HA2 0.212 4.174 3.960 0.004 0.000 0.272 779 G HA3 0.212 4.174 3.960 0.004 0.000 0.272 779 G C -1.813 173.091 174.900 0.007 0.000 1.271 779 G CA -0.901 44.226 45.100 0.045 0.000 0.893 779 G HN 0.517 nan 8.290 nan 0.000 0.485 780 V N 2.427 122.322 119.914 -0.032 0.000 2.364 780 V HA 0.257 4.379 4.120 0.004 0.000 0.252 780 V C 1.385 177.440 176.094 -0.065 0.000 1.075 780 V CA 0.716 62.959 62.300 -0.094 0.000 1.033 780 V CB -0.616 31.120 31.823 -0.146 0.000 1.116 780 V HN 0.713 nan 8.190 nan 0.000 0.488 781 F N 4.555 124.479 119.950 -0.043 0.000 2.512 781 F HA 0.483 5.012 4.527 0.003 0.000 0.296 781 F C 0.275 176.068 175.800 -0.010 0.000 1.110 781 F CA 0.163 58.158 58.000 -0.007 0.000 1.446 781 F CB 0.053 39.055 39.000 0.004 0.000 1.092 781 F HN 0.260 nan 8.300 nan 0.000 0.554 782 L N -0.222 120.623 121.223 -0.629 0.000 2.643 782 L HA 0.168 4.511 4.340 0.004 0.000 0.257 782 L C 0.988 177.682 176.870 -0.294 0.000 0.922 782 L CA -0.497 54.166 54.840 -0.296 0.000 0.909 782 L CB 1.849 43.866 42.059 -0.069 0.000 1.424 782 L HN -0.129 nan 8.230 nan 0.000 0.422 783 T N -0.038 114.437 114.554 -0.132 0.000 2.624 783 T HA -0.209 4.143 4.350 0.004 0.000 0.266 783 T C 1.043 175.599 174.700 -0.240 0.000 1.050 783 T CA 2.460 64.502 62.100 -0.096 0.000 1.163 783 T CB -0.421 68.497 68.868 0.084 0.000 0.861 783 T HN 0.750 nan 8.240 nan 0.000 0.443 784 N N 1.910 120.503 118.700 -0.178 0.000 2.906 784 N HA 0.027 4.769 4.740 0.004 0.000 0.282 784 N C 0.603 175.958 175.510 -0.258 0.000 1.293 784 N CA -0.194 52.732 53.050 -0.207 0.000 1.059 784 N CB -1.084 37.358 38.487 -0.075 0.000 1.388 784 N HN 0.663 nan 8.380 nan 0.000 0.533 785 Y N -2.066 118.036 120.300 -0.330 0.000 2.509 785 Y HA 0.117 4.669 4.550 0.003 0.000 0.293 785 Y C 1.795 177.529 175.900 -0.277 0.000 1.133 785 Y CA 0.001 57.848 58.100 -0.422 0.000 1.283 785 Y CB -0.785 37.335 38.460 -0.567 0.000 1.001 785 Y HN 0.144 nan 8.280 nan 0.000 0.555 786 N N 0.631 119.094 118.700 -0.397 0.000 2.443 786 N HA -0.097 4.645 4.740 0.004 0.000 0.184 786 N C 0.304 175.774 175.510 -0.066 0.000 1.037 786 N CA 1.055 53.990 53.050 -0.191 0.000 0.896 786 N CB 0.023 38.369 38.487 -0.234 0.000 0.959 786 N HN 0.240 nan 8.380 nan 0.000 0.442 787 V N 0.190 120.064 119.914 -0.067 0.000 2.991 787 V HA 0.329 4.451 4.120 0.004 0.000 0.355 787 V C -0.174 175.924 176.094 0.007 0.000 1.384 787 V CA -0.297 61.989 62.300 -0.024 0.000 1.171 787 V CB -0.047 31.757 31.823 -0.032 0.000 1.190 787 V HN 0.114 nan 8.190 nan 0.000 0.540 788 R N 0.792 121.299 120.500 0.011 0.000 2.750 788 R HA 0.726 5.069 4.340 0.004 0.000 0.281 788 R C -0.916 175.399 176.300 0.026 0.000 0.972 788 R CA -0.678 55.450 56.100 0.047 0.000 0.912 788 R CB 2.530 32.893 30.300 0.106 0.000 1.187 788 R HN 0.169 nan 8.270 nan 0.000 0.464 789 M N 3.060 122.683 119.600 0.038 0.000 2.046 789 M HA 0.271 4.753 4.480 0.004 0.000 0.309 789 M C -1.382 174.928 176.300 0.018 0.000 0.935 789 M CA -0.715 54.597 55.300 0.019 0.000 0.915 789 M CB 1.540 34.158 32.600 0.030 0.000 1.474 789 M HN 0.595 nan 8.290 nan 0.000 0.415 790 D N 0.771 121.166 120.400 -0.008 0.000 2.559 790 D HA 0.493 5.136 4.640 0.004 0.000 0.250 790 D C -0.670 175.605 176.300 -0.041 0.000 1.135 790 D CA -0.586 53.403 54.000 -0.018 0.000 0.955 790 D CB 0.737 41.521 40.800 -0.026 0.000 1.442 790 D HN 0.244 nan 8.370 nan 0.000 0.471 791 T N 0.682 115.207 114.554 -0.048 0.000 2.814 791 T HA 0.395 4.747 4.350 0.004 0.000 0.297 791 T C 0.476 175.156 174.700 -0.033 0.000 0.956 791 T CA -0.409 61.650 62.100 -0.068 0.000 1.123 791 T CB -0.134 68.697 68.868 -0.061 0.000 0.902 791 T HN 0.474 nan 8.240 nan 0.000 0.528 792 M N 1.452 121.048 119.600 -0.007 0.000 4.047 792 M HA -0.095 4.388 4.480 0.004 0.000 0.157 792 M C -0.357 175.978 176.300 0.057 0.000 1.532 792 M CA 0.746 56.120 55.300 0.124 0.000 1.097 792 M CB -0.563 32.142 32.600 0.176 0.000 1.346 792 M HN 1.125 nan 8.290 nan 0.000 0.190 793 A N 4.058 126.953 122.820 0.125 0.000 2.599 793 A HA 0.577 4.899 4.320 0.004 0.000 0.306 793 A C -1.405 176.237 177.584 0.098 0.000 1.014 793 A CA -0.904 51.137 52.037 0.006 0.000 0.784 793 A CB 1.114 20.165 19.000 0.086 0.000 1.229 793 A HN 0.803 nan 8.150 nan 0.000 0.398 794 N N 0.619 119.260 118.700 -0.098 0.000 2.269 794 N HA 0.750 5.492 4.740 0.004 0.000 0.304 794 N C -1.340 174.111 175.510 -0.098 0.000 1.072 794 N CA -0.551 52.491 53.050 -0.014 0.000 0.802 794 N CB 1.936 40.298 38.487 -0.207 0.000 1.348 794 N HN 0.476 nan 8.380 nan 0.000 0.484 795 I N 1.110 121.653 120.570 -0.046 0.000 2.785 795 I HA 0.362 4.534 4.170 0.004 0.000 0.302 795 I C -0.556 175.572 176.117 0.018 0.000 1.069 795 I CA -0.738 60.496 61.300 -0.110 0.000 1.045 795 I CB 1.343 39.169 38.000 -0.291 0.000 1.236 795 I HN 0.312 nan 8.210 nan 0.000 0.429 796 L N 3.397 124.643 121.223 0.038 0.000 2.326 796 L HA 0.313 4.655 4.340 0.004 0.000 0.278 796 L C 0.428 177.430 176.870 0.220 0.000 1.092 796 L CA 0.257 55.177 54.840 0.134 0.000 0.810 796 L CB 0.522 42.650 42.059 0.114 0.000 1.153 796 L HN 0.430 nan 8.230 nan 0.000 0.439 797 Y N 3.382 123.735 120.300 0.087 0.000 2.263 797 Y HA -0.095 4.456 4.550 0.003 0.000 0.292 797 Y C 0.674 176.568 175.900 -0.009 0.000 1.130 797 Y CA 1.127 59.247 58.100 0.034 0.000 1.179 797 Y CB -0.362 38.157 38.460 0.098 0.000 0.998 797 Y HN 0.555 nan 8.280 nan 0.000 0.532 798 Y N -1.763 118.603 120.300 0.110 0.000 2.715 798 Y HA 0.382 4.934 4.550 0.003 0.000 0.255 798 Y C -2.340 173.546 175.900 -0.022 0.000 1.139 798 Y CA -3.385 54.736 58.100 0.034 0.000 1.151 798 Y CB -0.342 38.124 38.460 0.009 0.000 1.201 798 Y HN -0.121 nan 8.280 nan 0.000 0.556 799 P HA -0.251 nan 4.420 nan 0.000 0.119 799 P C -0.519 176.798 177.300 0.029 0.000 0.937 799 P CA 1.132 64.246 63.100 0.023 0.000 0.966 799 P CB -0.055 31.649 31.700 0.007 0.000 1.531 800 Q N 1.657 121.472 119.800 0.026 0.000 2.345 800 Q HA 0.486 4.828 4.340 0.004 0.000 0.275 800 Q C -0.530 175.559 176.000 0.148 0.000 1.063 800 Q CA -1.089 54.751 55.803 0.062 0.000 0.819 800 Q CB 1.816 30.581 28.738 0.046 0.000 1.356 800 Q HN 0.267 nan 8.270 nan 0.000 0.418 801 K N 2.386 122.847 120.400 0.100 0.000 2.123 801 K HA 0.658 4.980 4.320 0.004 0.000 0.248 801 K C -2.682 173.991 176.600 0.121 0.000 0.969 801 K CA -1.810 54.498 56.287 0.036 0.000 0.882 801 K CB 1.971 34.434 32.500 -0.062 0.000 1.080 801 K HN 0.316 nan 8.250 nan 0.000 0.441 802 P HA 0.108 nan 4.420 nan 0.000 0.281 802 P C 0.502 177.712 177.300 -0.151 0.000 1.249 802 P CA -0.535 62.351 63.100 -0.357 0.000 0.810 802 P CB 1.188 32.107 31.700 -1.302 0.000 1.008 803 L N 0.841 122.017 121.223 -0.079 0.000 2.156 803 L HA 0.079 4.421 4.340 0.004 0.000 0.208 803 L C 1.473 178.268 176.870 -0.125 0.000 1.095 803 L CA 1.260 56.059 54.840 -0.067 0.000 0.770 803 L CB -0.584 41.460 42.059 -0.025 0.000 0.914 803 L HN 0.540 nan 8.230 nan 0.000 0.439 804 G N -0.870 107.818 108.800 -0.187 0.000 2.478 804 G HA2 0.504 4.466 3.960 0.004 0.000 0.317 804 G HA3 0.504 4.466 3.960 0.004 0.000 0.317 804 G C -0.400 174.313 174.900 -0.311 0.000 1.259 804 G CA 0.005 44.958 45.100 -0.246 0.000 0.933 804 G HN 0.076 nan 8.290 nan 0.000 0.478 805 T N -1.229 113.151 114.554 -0.290 0.000 2.633 805 T HA 0.850 5.202 4.350 0.004 0.000 0.262 805 T C -0.162 174.358 174.700 -0.300 0.000 0.920 805 T CA -0.654 61.277 62.100 -0.282 0.000 1.062 805 T CB 2.061 70.800 68.868 -0.215 0.000 1.390 805 T HN 0.505 nan 8.240 nan 0.000 0.549 806 T N -0.920 113.464 114.554 -0.283 0.000 2.841 806 T HA 0.499 4.851 4.350 0.004 0.000 0.296 806 T C 0.616 175.113 174.700 -0.337 0.000 1.166 806 T CA -0.767 61.165 62.100 -0.280 0.000 1.007 806 T CB 2.194 70.904 68.868 -0.264 0.000 1.253 806 T HN 0.509 nan 8.240 nan 0.000 0.511 807 R N 0.624 120.869 120.500 -0.425 0.000 2.153 807 R HA 0.148 4.490 4.340 0.004 0.000 0.218 807 R C 1.664 177.510 176.300 -0.757 0.000 1.072 807 R CA 0.920 56.571 56.100 -0.750 0.000 0.990 807 R CB -0.418 29.064 30.300 -1.365 0.000 0.889 807 R HN 0.600 nan 8.270 nan 0.000 0.452 808 A N -0.326 122.231 122.820 -0.438 0.000 2.275 808 A HA 0.090 4.412 4.320 0.004 0.000 0.212 808 A C 1.850 179.315 177.584 -0.197 0.000 1.201 808 A CA -0.040 51.912 52.037 -0.142 0.000 0.843 808 A CB -0.148 18.998 19.000 0.243 0.000 0.873 808 A HN 0.154 nan 8.150 nan 0.000 0.492 809 M N -1.033 118.411 119.600 -0.260 0.000 2.156 809 M HA -0.134 4.348 4.480 0.004 0.000 0.264 809 M C 2.027 178.188 176.300 -0.232 0.000 1.067 809 M CA 1.787 56.987 55.300 -0.165 0.000 1.131 809 M CB -0.147 32.361 32.600 -0.153 0.000 1.368 809 M HN 0.638 nan 8.290 nan 0.000 0.416 810 E N 0.066 120.012 120.200 -0.424 0.000 2.136 810 E HA -0.267 4.085 4.350 0.004 0.000 0.208 810 E C 1.208 177.451 176.600 -0.594 0.000 1.035 810 E CA 2.190 58.266 56.400 -0.539 0.000 0.838 810 E CB -0.264 28.936 29.700 -0.834 0.000 0.748 810 E HN 0.657 nan 8.360 nan 0.000 0.459 811 Y N -0.855 119.403 120.300 -0.071 0.000 2.578 811 Y HA 0.073 4.626 4.550 0.004 0.000 0.297 811 Y C 1.494 177.289 175.900 -0.174 0.000 1.176 811 Y CA -0.291 57.682 58.100 -0.211 0.000 1.315 811 Y CB 0.413 38.508 38.460 -0.608 0.000 1.031 811 Y HN 0.154 nan 8.280 nan 0.000 0.524 812 L N 0.186 121.397 121.223 -0.021 0.000 3.016 812 L HA 0.176 4.518 4.340 0.004 0.000 0.267 812 L C 0.176 177.194 176.870 0.247 0.000 1.182 812 L CA 0.248 55.130 54.840 0.069 0.000 0.997 812 L CB 0.293 42.363 42.059 0.019 0.000 1.354 812 L HN 0.048 nan 8.230 nan 0.000 0.569 813 K N -0.659 119.854 120.400 0.188 0.000 3.035 813 K HA -0.259 4.063 4.320 0.004 0.000 0.262 813 K C 0.810 177.418 176.600 0.013 0.000 1.024 813 K CA 0.617 56.978 56.287 0.124 0.000 0.748 813 K CB -2.368 30.266 32.500 0.224 0.000 1.247 813 K HN 0.268 nan 8.250 nan 0.000 0.482 814 F N 1.509 121.440 119.950 -0.031 0.000 2.128 814 F HA -0.081 4.448 4.527 0.004 0.000 0.295 814 F C 1.875 177.625 175.800 -0.083 0.000 1.100 814 F CA 1.301 59.273 58.000 -0.047 0.000 1.260 814 F CB 0.167 39.126 39.000 -0.068 0.000 1.009 814 F HN 0.097 nan 8.300 nan 0.000 0.476 815 R N 0.368 120.771 120.500 -0.161 0.000 2.346 815 R HA -0.038 4.304 4.340 0.004 0.000 0.199 815 R C 0.715 176.886 176.300 -0.215 0.000 1.015 815 R CA 0.704 56.677 56.100 -0.211 0.000 1.058 815 R CB -0.527 29.715 30.300 -0.098 0.000 0.921 815 R HN 0.349 nan 8.270 nan 0.000 0.475 816 E N 0.054 120.095 120.200 -0.266 0.000 2.364 816 E HA 0.201 4.553 4.350 0.004 0.000 0.203 816 E C 0.721 177.087 176.600 -0.390 0.000 0.888 816 E CA 0.400 56.661 56.400 -0.232 0.000 0.989 816 E CB 0.525 30.160 29.700 -0.109 0.000 0.985 816 E HN 0.077 nan 8.360 nan 0.000 0.499 817 L N 0.784 121.692 121.223 -0.526 0.000 3.291 817 L HA 0.349 4.692 4.340 0.004 0.000 0.307 817 L C -2.394 174.193 176.870 -0.471 0.000 1.303 817 L CA -1.485 53.019 54.840 -0.560 0.000 0.949 817 L CB 1.019 42.575 42.059 -0.837 0.000 1.375 817 L HN -0.116 nan 8.230 nan 0.000 0.596 818 P HA 0.015 nan 4.420 nan 0.000 0.272 818 P C -0.487 176.626 177.300 -0.311 0.000 1.225 818 P CA 0.407 63.079 63.100 -0.713 0.000 0.800 818 P CB 0.622 32.120 31.700 -0.338 0.000 0.894 819 A N 0.280 123.065 122.820 -0.058 0.000 2.605 819 A HA 0.696 5.018 4.320 0.004 0.000 0.294 819 A C -0.423 177.312 177.584 0.252 0.000 1.062 819 A CA 0.026 52.147 52.037 0.141 0.000 0.682 819 A CB 1.101 20.210 19.000 0.182 0.000 1.278 819 A HN 0.924 nan 8.150 nan 0.000 0.410 820 G N 0.163 109.047 108.800 0.139 0.000 2.777 820 G HA2 0.268 4.230 3.960 0.004 0.000 0.686 820 G HA3 0.268 4.230 3.960 0.004 0.000 0.686 820 G C -0.850 173.781 174.900 -0.449 0.000 1.177 820 G CA 0.050 45.106 45.100 -0.073 0.000 0.775 820 G HN 1.019 nan 8.290 nan 0.000 0.613 821 Q N -0.154 119.343 119.800 -0.504 0.000 2.416 821 Q HA 0.517 4.859 4.340 0.004 0.000 0.279 821 Q C -0.066 175.669 176.000 -0.442 0.000 1.101 821 Q CA -1.099 54.424 55.803 -0.466 0.000 0.830 821 Q CB 1.384 29.719 28.738 -0.672 0.000 1.402 821 Q HN 0.451 nan 8.270 nan 0.000 0.445 822 N N 0.982 119.555 118.700 -0.211 0.000 3.301 822 N HA 0.256 4.998 4.740 0.004 0.000 0.289 822 N C -1.216 174.230 175.510 -0.107 0.000 1.343 822 N CA 0.014 53.042 53.050 -0.036 0.000 1.136 822 N CB 0.435 38.972 38.487 0.084 0.000 1.402 822 N HN 0.615 nan 8.380 nan 0.000 0.516 823 A N 1.746 124.465 122.820 -0.169 0.000 2.561 823 A HA 0.040 4.362 4.320 0.004 0.000 0.234 823 A C 0.683 178.139 177.584 -0.213 0.000 1.055 823 A CA 0.059 51.962 52.037 -0.222 0.000 0.756 823 A CB 0.181 19.005 19.000 -0.293 0.000 0.986 823 A HN 0.384 nan 8.150 nan 0.000 0.505 824 I N 2.653 123.077 120.570 -0.243 0.000 2.556 824 I HA 0.184 4.356 4.170 0.004 0.000 0.284 824 I C 0.349 176.228 176.117 -0.397 0.000 1.114 824 I CA 0.343 61.442 61.300 -0.335 0.000 1.418 824 I CB 0.449 38.255 38.000 -0.324 0.000 1.394 824 I HN 0.283 nan 8.210 nan 0.000 0.552 825 V N 5.452 125.091 119.914 -0.459 0.000 2.769 825 V HA 0.866 4.988 4.120 0.004 0.000 0.312 825 V C -0.178 175.729 176.094 -0.311 0.000 1.061 825 V CA -0.601 61.492 62.300 -0.345 0.000 0.931 825 V CB 2.106 33.836 31.823 -0.154 0.000 1.010 825 V HN 0.926 nan 8.190 nan 0.000 0.433 826 A N 5.018 127.776 122.820 -0.103 0.000 2.456 826 A HA 0.694 5.017 4.320 0.004 0.000 0.288 826 A C -0.983 176.665 177.584 0.107 0.000 1.042 826 A CA -0.479 51.599 52.037 0.068 0.000 0.738 826 A CB 0.925 20.037 19.000 0.186 0.000 1.266 826 A HN 0.708 nan 8.150 nan 0.000 0.407 827 I N 2.202 122.881 120.570 0.182 0.000 2.436 827 I HA 0.451 4.623 4.170 0.004 0.000 0.289 827 I C 0.663 176.881 176.117 0.170 0.000 1.083 827 I CA 0.846 62.252 61.300 0.177 0.000 1.372 827 I CB 0.630 38.767 38.000 0.228 0.000 1.408 827 I HN 0.940 nan 8.210 nan 0.000 0.516 828 A N 5.215 128.121 122.820 0.142 0.000 2.555 828 A HA 0.313 4.635 4.320 0.004 0.000 0.299 828 A C -1.380 176.313 177.584 0.182 0.000 0.962 828 A CA -0.633 51.506 52.037 0.171 0.000 0.646 828 A CB 0.361 19.478 19.000 0.195 0.000 1.327 828 A HN 0.585 nan 8.150 nan 0.000 0.428 829 C N 1.259 120.683 119.300 0.205 0.000 2.388 829 C HA 0.765 5.228 4.460 0.004 0.000 0.362 829 C C 0.521 175.697 174.990 0.309 0.000 1.266 829 C CA 0.374 59.516 59.018 0.208 0.000 2.028 829 C CB -0.071 27.768 27.740 0.165 0.000 2.440 829 C HN 0.823 nan 8.230 nan 0.000 0.547 830 Y N 1.204 121.564 120.300 0.100 0.000 2.473 830 Y HA 0.161 4.713 4.550 0.003 0.000 0.094 830 Y C 2.249 178.254 175.900 0.175 0.000 0.933 830 Y CA 0.836 59.014 58.100 0.130 0.000 1.798 830 Y CB -0.402 38.145 38.460 0.144 0.000 1.118 830 Y HN 0.540 nan 8.280 nan 0.000 0.223 831 S N 0.355 116.393 115.700 0.563 0.000 2.603 831 S HA 0.154 4.627 4.470 0.004 0.000 0.229 831 S C 1.442 176.213 174.600 0.286 0.000 0.972 831 S CA 0.662 59.116 58.200 0.424 0.000 0.935 831 S CB -0.801 62.833 63.200 0.724 0.000 0.769 831 S HN 1.221 nan 8.310 nan 0.000 0.536 832 G N 0.464 109.394 108.800 0.217 0.000 2.249 832 G HA2 -0.316 3.646 3.960 0.004 0.000 0.273 832 G HA3 -0.316 3.646 3.960 0.004 0.000 0.273 832 G C -0.128 174.757 174.900 -0.026 0.000 1.036 832 G CA 0.339 45.485 45.100 0.077 0.000 0.824 832 G HN 0.614 nan 8.290 nan 0.000 0.504 833 Y N 1.007 121.344 120.300 0.061 0.000 2.897 833 Y HA 0.362 4.914 4.550 0.004 0.000 0.372 833 Y C 0.918 176.810 175.900 -0.012 0.000 1.034 833 Y CA -0.451 57.663 58.100 0.023 0.000 1.627 833 Y CB 0.358 38.821 38.460 0.005 0.000 1.474 833 Y HN 0.508 nan 8.280 nan 0.000 0.517 834 N N -0.415 118.324 118.700 0.064 0.000 2.824 834 N HA 0.155 4.897 4.740 0.004 0.000 0.224 834 N C -1.178 174.350 175.510 0.030 0.000 1.418 834 N CA -0.400 52.678 53.050 0.047 0.000 0.743 834 N CB 0.176 38.685 38.487 0.037 0.000 1.395 834 N HN 0.291 nan 8.380 nan 0.000 0.548 835 Q N 0.103 119.907 119.800 0.007 0.000 2.423 835 Q HA 0.357 4.699 4.340 0.004 0.000 0.278 835 Q C -0.622 175.374 176.000 -0.006 0.000 1.097 835 Q CA -0.578 55.220 55.803 -0.010 0.000 0.809 835 Q CB 1.747 30.452 28.738 -0.056 0.000 1.391 835 Q HN 0.231 nan 8.270 nan 0.000 0.428 836 E N 1.673 121.872 120.200 -0.001 0.000 2.328 836 E HA -0.228 4.124 4.350 0.004 0.000 0.233 836 E C -1.288 175.313 176.600 0.002 0.000 1.219 836 E CA 1.527 57.925 56.400 -0.003 0.000 0.717 836 E CB -1.684 28.004 29.700 -0.020 0.000 1.210 836 E HN 0.862 nan 8.360 nan 0.000 0.381 837 D N -1.930 118.479 120.400 0.015 0.000 2.746 837 D HA -0.188 4.455 4.640 0.004 0.000 0.241 837 D C -0.234 176.082 176.300 0.025 0.000 1.140 837 D CA 1.236 55.248 54.000 0.021 0.000 0.707 837 D CB -1.486 39.323 40.800 0.014 0.000 1.034 837 D HN 0.375 nan 8.370 nan 0.000 0.423 838 S N -0.473 115.241 115.700 0.024 0.000 2.786 838 S HA 0.895 5.368 4.470 0.004 0.000 0.307 838 S C 0.365 174.977 174.600 0.020 0.000 1.121 838 S CA -1.154 57.061 58.200 0.025 0.000 0.975 838 S CB 1.942 65.160 63.200 0.030 0.000 1.220 838 S HN 0.529 nan 8.310 nan 0.000 0.550 839 M N -0.475 119.122 119.600 -0.006 0.000 2.603 839 M HA 0.588 5.070 4.480 0.004 0.000 0.275 839 M C -2.230 174.005 176.300 -0.107 0.000 1.226 839 M CA -0.673 54.595 55.300 -0.052 0.000 0.870 839 M CB 1.269 33.826 32.600 -0.071 0.000 1.716 839 M HN 0.538 nan 8.290 nan 0.000 0.482 840 I N 2.353 122.830 120.570 -0.155 0.000 2.378 840 I HA 0.499 4.671 4.170 0.004 0.000 0.291 840 I C -0.895 175.071 176.117 -0.251 0.000 0.992 840 I CA -0.522 60.633 61.300 -0.241 0.000 1.154 840 I CB 2.084 39.905 38.000 -0.298 0.000 1.315 840 I HN 0.744 nan 8.210 nan 0.000 0.448 841 M N 6.035 125.488 119.600 -0.245 0.000 2.114 841 M HA 0.321 4.803 4.480 0.004 0.000 0.332 841 M C -0.204 176.014 176.300 -0.137 0.000 1.014 841 M CA -0.767 54.411 55.300 -0.203 0.000 0.956 841 M CB 0.984 33.458 32.600 -0.210 0.000 1.551 841 M HN 0.453 nan 8.290 nan 0.000 0.427 842 N N 3.213 121.844 118.700 -0.114 0.000 2.276 842 N HA -0.164 4.578 4.740 0.004 0.000 0.279 842 N C 0.389 175.869 175.510 -0.049 0.000 1.379 842 N CA 0.700 53.713 53.050 -0.062 0.000 0.886 842 N CB 0.610 39.056 38.487 -0.068 0.000 1.199 842 N HN 0.698 nan 8.380 nan 0.000 0.493 843 Q N 2.241 122.029 119.800 -0.019 0.000 2.389 843 Q HA 0.067 4.409 4.340 0.004 0.000 0.204 843 Q C 1.066 177.050 176.000 -0.026 0.000 0.944 843 Q CA 0.984 56.776 55.803 -0.019 0.000 0.908 843 Q CB 0.203 28.940 28.738 -0.000 0.000 1.002 843 Q HN 0.638 nan 8.270 nan 0.000 0.493 844 S N -0.046 115.638 115.700 -0.027 0.000 2.357 844 S HA -0.131 4.341 4.470 0.004 0.000 0.221 844 S C 1.880 176.447 174.600 -0.055 0.000 1.031 844 S CA 1.065 59.242 58.200 -0.038 0.000 0.982 844 S CB -0.507 62.671 63.200 -0.037 0.000 0.853 844 S HN 0.600 nan 8.310 nan 0.000 0.458 845 S N 1.718 117.378 115.700 -0.066 0.000 2.595 845 S HA 0.134 4.607 4.470 0.004 0.000 0.235 845 S C 1.542 176.085 174.600 -0.096 0.000 0.974 845 S CA 0.279 58.424 58.200 -0.092 0.000 0.942 845 S CB -0.860 62.275 63.200 -0.108 0.000 0.766 845 S HN 0.483 nan 8.310 nan 0.000 0.536 846 I N 1.923 122.452 120.570 -0.068 0.000 2.353 846 I HA -0.121 4.051 4.170 0.004 0.000 0.248 846 I C 1.902 177.972 176.117 -0.077 0.000 1.119 846 I CA 1.107 62.373 61.300 -0.057 0.000 1.417 846 I CB -0.439 37.543 38.000 -0.030 0.000 1.078 846 I HN 0.208 nan 8.210 nan 0.000 0.421 847 D N 1.306 121.666 120.400 -0.066 0.000 2.084 847 D HA -0.128 4.515 4.640 0.004 0.000 0.196 847 D C 2.071 178.321 176.300 -0.083 0.000 0.985 847 D CA 1.067 55.031 54.000 -0.061 0.000 0.826 847 D CB -0.447 40.327 40.800 -0.045 0.000 0.978 847 D HN 0.257 nan 8.370 nan 0.000 0.456 848 R N 0.043 120.484 120.500 -0.097 0.000 2.397 848 R HA 0.031 4.373 4.340 0.004 0.000 0.213 848 R C 1.182 177.367 176.300 -0.193 0.000 1.102 848 R CA 0.838 56.862 56.100 -0.126 0.000 1.040 848 R CB -0.063 30.157 30.300 -0.133 0.000 0.844 848 R HN 0.344 nan 8.270 nan 0.000 0.478 849 G N 0.754 109.440 108.800 -0.189 0.000 2.229 849 G HA2 -0.215 3.747 3.960 0.004 0.000 0.189 849 G HA3 -0.215 3.747 3.960 0.004 0.000 0.189 849 G C -0.006 174.758 174.900 -0.226 0.000 1.000 849 G CA -0.261 44.687 45.100 -0.254 0.000 0.663 849 G HN 0.307 nan 8.290 nan 0.000 0.493 850 L N 0.339 121.442 121.223 -0.199 0.000 2.380 850 L HA 0.723 5.065 4.340 0.004 0.000 0.273 850 L C 0.913 177.778 176.870 -0.008 0.000 1.138 850 L CA -0.244 54.466 54.840 -0.216 0.000 0.832 850 L CB 0.051 41.927 42.059 -0.304 0.000 1.124 850 L HN 0.549 nan 8.230 nan 0.000 0.454 851 F N 2.990 122.918 119.950 -0.036 0.000 2.975 851 F HA -0.227 4.302 4.527 0.003 0.000 0.319 851 F C 0.357 176.164 175.800 0.012 0.000 0.976 851 F CA 0.133 58.153 58.000 0.034 0.000 1.072 851 F CB -0.463 38.612 39.000 0.126 0.000 1.165 851 F HN 0.652 nan 8.300 nan 0.000 0.758 852 R N 0.291 120.853 120.500 0.104 0.000 2.720 852 R HA 0.783 5.125 4.340 0.004 0.000 0.272 852 R C 0.129 176.487 176.300 0.096 0.000 0.991 852 R CA 0.069 56.169 56.100 0.000 0.000 1.010 852 R CB 2.087 32.160 30.300 -0.379 0.000 1.141 852 R HN 0.253 nan 8.270 nan 0.000 0.494 853 S N 0.775 116.544 115.700 0.117 0.000 2.851 853 S HA 0.574 5.046 4.470 0.004 0.000 0.313 853 S C -0.502 174.287 174.600 0.316 0.000 1.163 853 S CA -0.980 57.366 58.200 0.244 0.000 0.850 853 S CB 0.897 64.189 63.200 0.152 0.000 1.245 853 S HN 0.318 nan 8.310 nan 0.000 0.558 854 L N 0.603 121.961 121.223 0.225 0.000 2.365 854 L HA 0.725 5.067 4.340 0.004 0.000 0.267 854 L C -1.232 175.797 176.870 0.265 0.000 1.033 854 L CA -0.722 54.200 54.840 0.137 0.000 0.802 854 L CB 1.271 43.367 42.059 0.061 0.000 1.267 854 L HN 0.773 nan 8.230 nan 0.000 0.457 855 F N 2.062 121.937 119.950 -0.125 0.000 3.395 855 F HA 0.435 4.964 4.527 0.003 0.000 0.382 855 F C -1.667 174.095 175.800 -0.063 0.000 1.264 855 F CA -1.133 56.870 58.000 0.005 0.000 1.277 855 F CB 0.424 39.418 39.000 -0.009 0.000 1.780 855 F HN 0.049 nan 8.300 nan 0.000 0.691 856 F N 4.117 123.836 119.950 -0.386 0.000 2.483 856 F HA 0.816 5.346 4.527 0.005 0.000 0.329 856 F C 0.105 175.503 175.800 -0.671 0.000 1.064 856 F CA -1.037 56.630 58.000 -0.555 0.000 0.986 856 F CB 1.702 40.555 39.000 -0.245 0.000 1.218 856 F HN 0.466 nan 8.300 nan 0.000 0.484 857 R N 0.101 120.430 120.500 -0.285 0.000 2.604 857 R HA 0.687 5.029 4.340 0.004 0.000 0.270 857 R C -1.774 174.421 176.300 -0.174 0.000 1.052 857 R CA -0.441 55.493 56.100 -0.277 0.000 0.902 857 R CB 1.870 31.926 30.300 -0.406 0.000 1.233 857 R HN 0.818 nan 8.270 nan 0.000 0.455 858 S N 1.876 117.463 115.700 -0.189 0.000 2.600 858 S HA 0.560 5.032 4.470 0.004 0.000 0.300 858 S C -1.421 173.010 174.600 -0.281 0.000 1.087 858 S CA -0.760 57.360 58.200 -0.133 0.000 0.965 858 S CB 1.198 64.379 63.200 -0.031 0.000 1.089 858 S HN 0.457 nan 8.310 nan 0.000 0.496 859 Y N 1.388 121.657 120.300 -0.052 0.000 2.352 859 Y HA 0.650 5.203 4.550 0.006 0.000 0.339 859 Y C 0.171 176.025 175.900 -0.077 0.000 0.992 859 Y CA -0.731 57.337 58.100 -0.053 0.000 1.100 859 Y CB 1.721 40.147 38.460 -0.057 0.000 1.192 859 Y HN 0.619 nan 8.280 nan 0.000 0.458 860 M N 2.521 122.163 119.600 0.070 0.000 2.658 860 M HA 0.621 5.103 4.480 0.004 0.000 0.295 860 M C -2.261 174.029 176.300 -0.016 0.000 1.248 860 M CA -0.458 54.828 55.300 -0.024 0.000 0.843 860 M CB 2.911 35.419 32.600 -0.154 0.000 1.749 860 M HN 0.621 nan 8.290 nan 0.000 0.464 861 D N 1.680 122.018 120.400 -0.104 0.000 2.927 861 D HA 0.422 5.064 4.640 0.004 0.000 0.219 861 D C -1.580 174.787 176.300 0.112 0.000 1.248 861 D CA -0.099 53.910 54.000 0.014 0.000 0.861 861 D CB 2.490 43.371 40.800 0.135 0.000 1.677 861 D HN 0.645 nan 8.370 nan 0.000 0.511 862 Q N 0.796 120.744 119.800 0.247 0.000 2.433 862 Q HA 0.449 4.791 4.340 0.004 0.000 0.279 862 Q C -0.740 175.268 176.000 0.015 0.000 1.105 862 Q CA -0.883 55.066 55.803 0.243 0.000 0.815 862 Q CB 2.844 31.715 28.738 0.222 0.000 1.403 862 Q HN 0.278 nan 8.270 nan 0.000 0.435 863 E N 2.167 122.333 120.200 -0.056 0.000 2.133 863 E HA 0.312 4.665 4.350 0.004 0.000 0.274 863 E C -0.840 175.710 176.600 -0.082 0.000 0.930 863 E CA -0.390 55.900 56.400 -0.184 0.000 0.770 863 E CB 1.622 31.169 29.700 -0.255 0.000 1.104 863 E HN 0.615 nan 8.360 nan 0.000 0.403 864 K N 2.391 122.747 120.400 -0.073 0.000 5.816 864 K HA -0.151 4.172 4.320 0.004 0.000 0.946 864 K C -1.118 175.474 176.600 -0.014 0.000 2.373 864 K CA 0.350 56.614 56.287 -0.037 0.000 1.325 864 K CB -0.282 32.195 32.500 -0.038 0.000 2.481 864 K HN 0.417 nan 8.250 nan 0.000 0.258 865 K N -0.590 119.811 120.400 0.001 0.000 4.224 865 K HA 0.259 4.581 4.320 0.004 0.000 0.287 865 K C -0.203 176.398 176.600 0.001 0.000 1.001 865 K CA -0.052 56.233 56.287 -0.003 0.000 1.773 865 K CB 0.360 32.867 32.500 0.013 0.000 3.230 865 K HN 0.491 nan 8.250 nan 0.000 0.889 866 Y N 1.389 121.700 120.300 0.018 0.000 2.724 866 Y HA 0.253 4.805 4.550 0.004 0.000 0.332 866 Y C 0.471 176.378 175.900 0.011 0.000 1.276 866 Y CA -0.687 57.422 58.100 0.015 0.000 1.597 866 Y CB 0.618 39.088 38.460 0.017 0.000 1.584 866 Y HN 0.338 nan 8.280 nan 0.000 0.478 867 G N 2.896 111.767 108.800 0.119 0.000 2.338 867 G HA2 0.525 4.487 3.960 0.004 0.000 0.298 867 G HA3 0.525 4.487 3.960 0.004 0.000 0.298 867 G C -0.475 174.485 174.900 0.099 0.000 1.140 867 G CA -0.821 44.331 45.100 0.087 0.000 0.860 867 G HN 0.424 nan 8.290 nan 0.000 0.470 868 M N 2.961 122.609 119.600 0.079 0.000 2.027 868 M HA 0.292 4.774 4.480 0.004 0.000 0.329 868 M C 0.368 176.691 176.300 0.039 0.000 0.971 868 M CA -0.482 54.853 55.300 0.059 0.000 0.933 868 M CB 1.477 34.105 32.600 0.048 0.000 1.392 868 M HN 0.924 nan 8.290 nan 0.000 0.394 869 S N 1.877 117.595 115.700 0.030 0.000 3.067 869 S HA -0.069 4.403 4.470 0.004 0.000 0.272 869 S C -0.334 174.276 174.600 0.017 0.000 1.349 869 S CA -0.084 58.129 58.200 0.021 0.000 0.914 869 S CB -2.455 60.756 63.200 0.018 0.000 1.151 869 S HN 0.798 nan 8.310 nan 0.000 0.712 870 I N 0.886 121.466 120.570 0.017 0.000 2.580 870 I HA 0.285 4.457 4.170 0.004 0.000 0.268 870 I C -0.753 175.366 176.117 0.003 0.000 1.261 870 I CA -0.292 61.014 61.300 0.011 0.000 1.115 870 I CB 1.631 39.643 38.000 0.020 0.000 1.387 870 I HN 0.250 nan 8.210 nan 0.000 0.474 871 T N 1.337 115.884 114.554 -0.012 0.000 3.305 871 T HA 0.290 4.643 4.350 0.004 0.000 0.348 871 T C -0.074 174.588 174.700 -0.062 0.000 1.394 871 T CA -0.639 61.441 62.100 -0.034 0.000 1.549 871 T CB 0.480 69.332 68.868 -0.026 0.000 0.962 871 T HN 0.439 nan 8.240 nan 0.000 0.609 872 E N 1.576 121.730 120.200 -0.077 0.000 3.249 872 E HA -0.050 4.302 4.350 0.004 0.000 0.314 872 E C -0.260 176.219 176.600 -0.201 0.000 0.950 872 E CA 0.985 57.309 56.400 -0.127 0.000 1.019 872 E CB 0.264 29.866 29.700 -0.164 0.000 1.090 872 E HN 0.491 nan 8.360 nan 0.000 0.479 873 T N 2.057 116.484 114.554 -0.211 0.000 3.291 873 T HA 0.267 4.619 4.350 0.004 0.000 0.344 873 T C -1.078 173.561 174.700 -0.102 0.000 1.293 873 T CA -0.697 61.300 62.100 -0.172 0.000 1.108 873 T CB 0.373 69.210 68.868 -0.052 0.000 1.231 873 T HN 0.274 nan 8.240 nan 0.000 0.474 874 F N 3.594 123.559 119.950 0.025 0.000 2.438 874 F HA 0.498 5.027 4.527 0.004 0.000 0.356 874 F C 1.193 177.003 175.800 0.017 0.000 1.099 874 F CA -0.163 57.850 58.000 0.023 0.000 1.185 874 F CB 0.723 39.738 39.000 0.025 0.000 1.115 874 F HN 0.665 nan 8.300 nan 0.000 0.526 875 E N 1.837 122.181 120.200 0.239 0.000 2.343 875 E HA 0.361 4.713 4.350 0.004 0.000 0.257 875 E C -1.801 174.853 176.600 0.090 0.000 1.079 875 E CA -1.338 55.138 56.400 0.127 0.000 0.891 875 E CB 1.577 31.322 29.700 0.074 0.000 1.732 875 E HN 0.406 nan 8.360 nan 0.000 0.465 876 K N 1.420 121.843 120.400 0.038 0.000 2.394 876 K HA 0.430 4.752 4.320 0.004 0.000 0.260 876 K C -2.424 174.142 176.600 -0.057 0.000 0.967 876 K CA -2.009 54.285 56.287 0.012 0.000 0.855 876 K CB 1.317 33.820 32.500 0.006 0.000 1.101 876 K HN 0.283 nan 8.250 nan 0.000 0.433 877 P HA 0.059 nan 4.420 nan 0.000 0.274 877 P C -1.526 175.651 177.300 -0.206 0.000 1.260 877 P CA -0.204 62.783 63.100 -0.188 0.000 0.793 877 P CB 0.468 31.997 31.700 -0.285 0.000 1.048 878 Q N -0.423 119.295 119.800 -0.138 0.000 3.428 878 Q HA 0.421 4.763 4.340 0.004 0.000 0.186 878 Q C -0.278 175.681 176.000 -0.069 0.000 0.793 878 Q CA -0.751 54.979 55.803 -0.121 0.000 0.903 878 Q CB 1.302 29.967 28.738 -0.122 0.000 1.510 878 Q HN 0.155 nan 8.270 nan 0.000 0.471 879 R N -1.381 119.079 120.500 -0.067 0.000 1.314 879 R HA -0.121 4.221 4.340 0.004 0.000 0.016 879 R C -0.216 176.064 176.300 -0.033 0.000 0.959 879 R CA 1.646 57.722 56.100 -0.039 0.000 1.967 879 R CB -2.787 27.496 30.300 -0.028 0.000 0.172 879 R HN 0.876 nan 8.270 nan 0.000 0.730 880 T N 3.060 117.595 114.554 -0.031 0.000 2.538 880 T HA -0.196 4.156 4.350 0.004 0.000 0.471 880 T C 0.770 175.463 174.700 -0.011 0.000 0.782 880 T CA 1.806 63.894 62.100 -0.019 0.000 3.645 880 T CB -0.830 68.025 68.868 -0.021 0.000 0.908 880 T HN 0.499 nan 8.240 nan 0.000 0.279 881 N N -0.920 117.774 118.700 -0.010 0.000 1.704 881 N HA -0.205 4.537 4.740 0.004 0.000 0.208 881 N C 1.507 177.013 175.510 -0.006 0.000 1.385 881 N CA 2.181 55.227 53.050 -0.006 0.000 4.019 881 N CB -1.749 36.735 38.487 -0.005 0.000 0.691 881 N HN 0.518 nan 8.380 nan 0.000 0.308 882 T N 1.844 116.395 114.554 -0.006 0.000 2.592 882 T HA -0.150 4.202 4.350 0.004 0.000 0.267 882 T C 1.133 175.829 174.700 -0.005 0.000 1.060 882 T CA 2.400 64.497 62.100 -0.005 0.000 1.167 882 T CB -0.657 68.208 68.868 -0.004 0.000 0.863 882 T HN 0.709 nan 8.240 nan 0.000 0.431 883 L N -0.328 120.889 121.223 -0.009 0.000 3.833 883 L HA -0.242 4.101 4.340 0.004 0.000 0.447 883 L C -0.460 176.408 176.870 -0.003 0.000 1.213 883 L CA 0.586 55.422 54.840 -0.007 0.000 0.801 883 L CB -2.232 39.822 42.059 -0.009 0.000 1.676 883 L HN 0.230 nan 8.230 nan 0.000 0.883 884 R N 0.200 120.702 120.500 0.003 0.000 2.621 884 R HA 0.983 5.325 4.340 0.004 0.000 0.284 884 R C -0.432 175.886 176.300 0.030 0.000 0.998 884 R CA -0.807 55.295 56.100 0.005 0.000 0.895 884 R CB 2.045 32.339 30.300 -0.010 0.000 1.195 884 R HN 0.214 nan 8.270 nan 0.000 0.450 885 M N 1.338 120.971 119.600 0.054 0.000 2.569 885 M HA 0.270 4.752 4.480 0.004 0.000 0.287 885 M C -1.538 174.866 176.300 0.174 0.000 1.130 885 M CA -0.761 54.616 55.300 0.128 0.000 0.885 885 M CB 2.556 35.201 32.600 0.074 0.000 1.759 885 M HN 0.469 nan 8.290 nan 0.000 0.515 886 K N 1.259 121.825 120.400 0.276 0.000 2.174 886 K HA 0.328 4.650 4.320 0.004 0.000 0.275 886 K C 1.195 177.880 176.600 0.142 0.000 1.015 886 K CA -0.229 56.133 56.287 0.126 0.000 0.933 886 K CB 0.500 33.013 32.500 0.022 0.000 1.025 886 K HN 0.432 nan 8.250 nan 0.000 0.463 887 H N 1.049 120.138 119.070 0.030 0.000 2.304 887 H HA -0.219 4.339 4.556 0.003 0.000 0.287 887 H C 1.112 176.434 175.328 -0.010 0.000 1.112 887 H CA 2.021 58.079 56.048 0.017 0.000 1.200 887 H CB -0.228 29.533 29.762 -0.001 0.000 1.349 887 H HN 0.759 nan 8.280 nan 0.000 0.477 888 G N -0.430 108.393 108.800 0.038 0.000 2.486 888 G HA2 0.210 4.172 3.960 0.004 0.000 0.272 888 G HA3 0.210 4.172 3.960 0.004 0.000 0.272 888 G C -0.309 174.513 174.900 -0.130 0.000 1.426 888 G CA 0.282 45.341 45.100 -0.069 0.000 1.058 888 G HN 0.366 nan 8.290 nan 0.000 0.531 889 T N -1.880 112.587 114.554 -0.145 0.000 2.902 889 T HA 0.398 4.750 4.350 0.004 0.000 0.283 889 T C -0.056 174.546 174.700 -0.164 0.000 1.009 889 T CA -0.377 61.668 62.100 -0.092 0.000 1.051 889 T CB 1.715 70.575 68.868 -0.013 0.000 0.999 889 T HN 0.389 nan 8.240 nan 0.000 0.474 890 Y N -0.337 119.959 120.300 -0.006 0.000 2.458 890 Y HA 0.150 4.700 4.550 -0.000 0.000 0.254 890 Y C 1.957 177.849 175.900 -0.014 0.000 1.120 890 Y CA -0.327 57.767 58.100 -0.011 0.000 1.282 890 Y CB 0.231 38.689 38.460 -0.002 0.000 1.109 890 Y HN 0.649 nan 8.280 nan 0.000 0.526 891 D N 0.669 121.156 120.400 0.146 0.000 2.403 891 D HA -0.112 4.530 4.640 0.004 0.000 0.227 891 D C 0.982 177.308 176.300 0.043 0.000 0.995 891 D CA 0.959 55.007 54.000 0.080 0.000 0.928 891 D CB 0.043 40.878 40.800 0.059 0.000 0.887 891 D HN 0.396 nan 8.370 nan 0.000 0.529 892 K N -0.128 120.291 120.400 0.031 0.000 2.372 892 K HA 0.206 4.529 4.320 0.004 0.000 0.200 892 K C 0.172 176.771 176.600 -0.000 0.000 1.022 892 K CA -0.079 56.208 56.287 0.000 0.000 1.125 892 K CB 0.808 33.291 32.500 -0.028 0.000 0.855 892 K HN -0.028 nan 8.250 nan 0.000 0.524 893 L N 1.439 122.677 121.223 0.026 0.000 2.329 893 L HA 0.218 4.560 4.340 0.004 0.000 0.279 893 L C 0.222 177.102 176.870 0.017 0.000 1.014 893 L CA -0.608 54.242 54.840 0.016 0.000 0.814 893 L CB 1.519 43.614 42.059 0.061 0.000 1.257 893 L HN 0.123 nan 8.230 nan 0.000 0.424 894 D N 1.152 121.553 120.400 0.002 0.000 2.312 894 D HA 0.067 4.709 4.640 0.004 0.000 0.290 894 D C -0.120 176.187 176.300 0.010 0.000 1.170 894 D CA -0.194 53.809 54.000 0.005 0.000 1.085 894 D CB 0.458 41.258 40.800 -0.000 0.000 1.154 894 D HN 0.500 nan 8.370 nan 0.000 0.535 895 D N -0.176 120.231 120.400 0.011 0.000 2.201 895 D HA -0.102 4.540 4.640 0.004 0.000 0.209 895 D C 1.534 177.853 176.300 0.032 0.000 0.961 895 D CA 0.882 54.894 54.000 0.020 0.000 0.861 895 D CB -0.127 40.683 40.800 0.017 0.000 0.997 895 D HN 0.376 nan 8.370 nan 0.000 0.486 896 D N 0.785 121.200 120.400 0.024 0.000 2.157 896 D HA -0.153 4.490 4.640 0.004 0.000 0.191 896 D C 1.740 178.051 176.300 0.018 0.000 1.004 896 D CA 1.854 55.870 54.000 0.026 0.000 0.854 896 D CB -0.780 40.017 40.800 -0.004 0.000 0.936 896 D HN 0.357 nan 8.370 nan 0.000 0.446 897 G N -1.021 107.776 108.800 -0.004 0.000 2.143 897 G HA2 -0.114 3.848 3.960 0.004 0.000 0.175 897 G HA3 -0.114 3.848 3.960 0.004 0.000 0.175 897 G C -0.279 174.576 174.900 -0.074 0.000 1.004 897 G CA -0.019 45.082 45.100 0.001 0.000 0.671 897 G HN 0.425 nan 8.290 nan 0.000 0.512 898 L N 1.715 122.888 121.223 -0.083 0.000 2.388 898 L HA 0.548 4.891 4.340 0.004 0.000 0.267 898 L C 1.179 178.007 176.870 -0.070 0.000 0.995 898 L CA -1.340 53.436 54.840 -0.107 0.000 0.864 898 L CB 0.997 42.970 42.059 -0.144 0.000 1.216 898 L HN 0.184 nan 8.230 nan 0.000 0.430 899 I N 1.120 121.651 120.570 -0.065 0.000 3.311 899 I HA -0.132 4.040 4.170 0.004 0.000 0.326 899 I C 0.975 177.062 176.117 -0.051 0.000 1.162 899 I CA 0.475 61.742 61.300 -0.055 0.000 1.458 899 I CB -0.042 37.919 38.000 -0.066 0.000 1.274 899 I HN 0.716 nan 8.210 nan 0.000 0.546 900 A N 4.640 127.436 122.820 -0.039 0.000 2.294 900 A HA 0.578 4.901 4.320 0.004 0.000 0.330 900 A C -1.811 175.755 177.584 -0.029 0.000 1.133 900 A CA -1.584 50.435 52.037 -0.030 0.000 0.836 900 A CB 0.826 19.812 19.000 -0.023 0.000 1.190 900 A HN 0.582 nan 8.150 nan 0.000 0.492 901 P HA -0.122 nan 4.420 nan 0.000 0.214 901 P C 1.408 178.694 177.300 -0.023 0.000 1.163 901 P CA 2.172 65.260 63.100 -0.021 0.000 0.883 901 P CB 0.233 31.925 31.700 -0.014 0.000 0.788 902 G N -1.251 107.536 108.800 -0.021 0.000 2.920 902 G HA2 0.056 4.018 3.960 0.004 0.000 0.208 902 G HA3 0.056 4.018 3.960 0.004 0.000 0.208 902 G C 0.190 175.075 174.900 -0.024 0.000 1.159 902 G CA -0.055 45.032 45.100 -0.022 0.000 0.784 902 G HN 0.133 nan 8.290 nan 0.000 0.535 903 V N 0.188 120.086 119.914 -0.026 0.000 2.555 903 V HA 0.259 4.382 4.120 0.004 0.000 0.286 903 V C 0.804 176.877 176.094 -0.034 0.000 1.044 903 V CA -1.020 61.263 62.300 -0.028 0.000 1.026 903 V CB 0.960 32.764 31.823 -0.031 0.000 0.981 903 V HN 0.237 nan 8.190 nan 0.000 0.480 904 R N 2.872 123.354 120.500 -0.030 0.000 2.421 904 R HA 0.388 4.730 4.340 0.004 0.000 0.305 904 R C -0.224 176.054 176.300 -0.037 0.000 1.039 904 R CA -0.072 56.009 56.100 -0.031 0.000 1.003 904 R CB 0.455 30.742 30.300 -0.023 0.000 0.959 904 R HN 0.814 nan 8.270 nan 0.000 0.427 905 V N 0.570 120.458 119.914 -0.044 0.000 3.204 905 V HA 0.883 5.005 4.120 0.004 0.000 0.316 905 V C -0.281 175.789 176.094 -0.040 0.000 1.160 905 V CA -0.637 61.631 62.300 -0.053 0.000 1.044 905 V CB 1.989 33.765 31.823 -0.078 0.000 1.136 905 V HN 0.933 nan 8.190 nan 0.000 0.455 906 S N -1.968 113.707 115.700 -0.042 0.000 2.688 906 S HA 0.765 5.237 4.470 0.004 0.000 0.266 906 S C 0.166 174.747 174.600 -0.032 0.000 1.061 906 S CA 0.258 58.443 58.200 -0.024 0.000 0.844 906 S CB 0.469 63.662 63.200 -0.012 0.000 1.103 906 S HN 2.851 nan 8.310 nan 0.000 0.471 907 G N 1.337 110.125 108.800 -0.020 0.000 2.528 907 G HA2 -0.211 3.751 3.960 0.004 0.000 0.262 907 G HA3 -0.211 3.751 3.960 0.004 0.000 0.262 907 G C -0.211 174.663 174.900 -0.044 0.000 1.200 907 G CA 0.364 45.447 45.100 -0.030 0.000 0.951 907 G HN 1.126 nan 8.290 nan 0.000 0.566 908 E N 1.570 121.734 120.200 -0.061 0.000 2.405 908 E HA 0.265 4.617 4.350 0.004 0.000 0.214 908 E C -0.719 175.812 176.600 -0.116 0.000 1.101 908 E CA -0.262 56.094 56.400 -0.073 0.000 1.254 908 E CB 0.093 29.750 29.700 -0.071 0.000 1.240 908 E HN 0.388 nan 8.360 nan 0.000 0.439 909 D N 1.184 121.513 120.400 -0.119 0.000 2.458 909 D HA -0.007 4.635 4.640 0.004 0.000 0.243 909 D C 0.050 176.226 176.300 -0.207 0.000 1.146 909 D CA 0.043 53.950 54.000 -0.155 0.000 0.877 909 D CB 1.155 41.885 40.800 -0.116 0.000 1.176 909 D HN -0.115 nan 8.370 nan 0.000 0.461 910 V N 3.929 123.675 119.914 -0.281 0.000 2.479 910 V HA 0.032 4.154 4.120 0.004 0.000 0.281 910 V C 1.680 177.664 176.094 -0.182 0.000 1.031 910 V CA -0.029 62.101 62.300 -0.283 0.000 1.038 910 V CB 0.657 32.216 31.823 -0.441 0.000 0.981 910 V HN 0.507 nan 8.190 nan 0.000 0.478 911 I N 4.404 124.852 120.570 -0.203 0.000 2.703 911 I HA 0.201 4.373 4.170 0.004 0.000 0.259 911 I C 0.449 176.473 176.117 -0.154 0.000 1.151 911 I CA 1.162 62.340 61.300 -0.205 0.000 1.470 911 I CB 0.382 38.181 38.000 -0.336 0.000 1.112 911 I HN 0.463 nan 8.210 nan 0.000 0.437 912 I N 0.292 120.793 120.570 -0.115 0.000 2.571 912 I HA 0.301 4.473 4.170 0.004 0.000 0.286 912 I C -0.159 175.976 176.117 0.029 0.000 1.134 912 I CA -0.441 60.809 61.300 -0.083 0.000 1.052 912 I CB 1.882 39.810 38.000 -0.120 0.000 1.237 912 I HN -0.113 nan 8.210 nan 0.000 0.435 913 G N 5.964 114.811 108.800 0.080 0.000 2.348 913 G HA2 0.699 4.661 3.960 0.004 0.000 0.312 913 G HA3 0.699 4.661 3.960 0.004 0.000 0.312 913 G C -0.983 174.065 174.900 0.247 0.000 1.126 913 G CA -0.290 44.920 45.100 0.184 0.000 0.865 913 G HN 0.632 nan 8.290 nan 0.000 0.474 914 K N -0.039 120.505 120.400 0.240 0.000 2.555 914 K HA 0.783 5.106 4.320 0.004 0.000 0.279 914 K C -1.267 175.403 176.600 0.116 0.000 0.986 914 K CA -0.772 55.664 56.287 0.248 0.000 0.880 914 K CB 2.022 34.698 32.500 0.294 0.000 1.474 914 K HN 0.664 nan 8.250 nan 0.000 0.433 915 T N -1.828 112.754 114.554 0.047 0.000 2.894 915 T HA 0.426 4.778 4.350 0.004 0.000 0.309 915 T C -1.109 173.588 174.700 -0.004 0.000 1.208 915 T CA -0.707 61.407 62.100 0.024 0.000 1.016 915 T CB 1.857 70.732 68.868 0.012 0.000 1.192 915 T HN 0.481 nan 8.240 nan 0.000 0.491 916 T N 3.759 118.313 114.554 0.001 0.000 2.965 916 T HA 0.540 4.892 4.350 0.004 0.000 0.306 916 T C -2.921 171.778 174.700 -0.002 0.000 0.991 916 T CA -1.361 60.735 62.100 -0.007 0.000 1.001 916 T CB 1.427 70.294 68.868 -0.002 0.000 0.984 916 T HN 0.564 nan 8.240 nan 0.000 0.446 917 P HA 0.312 nan 4.420 nan 0.000 0.273 917 P C -1.038 176.263 177.300 0.001 0.000 1.319 917 P CA -0.438 62.660 63.100 -0.003 0.000 0.885 917 P CB 0.205 31.902 31.700 -0.006 0.000 1.015 918 I N 2.749 123.321 120.570 0.003 0.000 2.498 918 I HA 0.290 4.462 4.170 0.004 0.000 0.290 918 I C 0.938 177.057 176.117 0.004 0.000 1.032 918 I CA -1.135 60.168 61.300 0.005 0.000 1.073 918 I CB 1.639 39.644 38.000 0.008 0.000 1.251 918 I HN 0.296 nan 8.210 nan 0.000 0.426 934 K N 2.449 122.846 120.400 -0.006 0.000 2.155 934 K HA 0.318 4.640 4.320 0.004 0.000 0.240 934 K C -0.369 176.228 176.600 -0.006 0.000 1.193 934 K CA -0.131 56.151 56.287 -0.008 0.000 1.104 934 K CB 0.075 32.566 32.500 -0.014 0.000 1.558 934 K HN 0.232 nan 8.250 nan 0.000 0.313 935 R N 1.920 122.421 120.500 0.001 0.000 2.347 935 R HA -0.000 4.342 4.340 0.004 0.000 0.304 935 R C -0.182 176.129 176.300 0.019 0.000 1.072 935 R CA -0.248 55.858 56.100 0.010 0.000 0.980 935 R CB 0.436 30.743 30.300 0.011 0.000 0.986 935 R HN 0.455 nan 8.270 nan 0.000 0.448 936 D N 1.502 121.919 120.400 0.029 0.000 2.345 936 D HA 0.261 4.903 4.640 0.004 0.000 0.247 936 D C -1.010 175.327 176.300 0.062 0.000 1.108 936 D CA -0.099 53.934 54.000 0.055 0.000 0.894 936 D CB 0.923 41.780 40.800 0.095 0.000 1.203 936 D HN 0.564 nan 8.370 nan 0.000 0.430 937 A N 2.596 125.464 122.820 0.081 0.000 2.768 937 A HA 0.527 4.850 4.320 0.004 0.000 0.299 937 A C -1.005 176.642 177.584 0.106 0.000 1.171 937 A CA -0.573 51.513 52.037 0.082 0.000 0.759 937 A CB 0.397 19.431 19.000 0.057 0.000 1.267 937 A HN 0.613 nan 8.150 nan 0.000 0.421 938 S N 0.417 116.181 115.700 0.106 0.000 2.614 938 S HA 0.660 5.132 4.470 0.004 0.000 0.275 938 S C -0.403 174.225 174.600 0.047 0.000 1.161 938 S CA -0.482 57.783 58.200 0.109 0.000 0.969 938 S CB 1.283 64.595 63.200 0.187 0.000 1.059 938 S HN 0.475 nan 8.310 nan 0.000 0.482 939 T N 5.572 120.145 114.554 0.031 0.000 2.851 939 T HA 0.519 4.872 4.350 0.004 0.000 0.298 939 T C -2.446 172.187 174.700 -0.113 0.000 0.977 939 T CA -0.469 61.622 62.100 -0.015 0.000 1.126 939 T CB 0.633 69.509 68.868 0.013 0.000 0.916 939 T HN 0.507 nan 8.240 nan 0.000 0.529 940 P HA 0.392 nan 4.420 nan 0.000 0.287 940 P C -0.345 176.824 177.300 -0.219 0.000 1.292 940 P CA -0.950 62.043 63.100 -0.177 0.000 0.879 940 P CB 0.909 32.542 31.700 -0.112 0.000 1.214 941 L N 1.821 122.900 121.223 -0.239 0.000 2.456 941 L HA 0.113 4.455 4.340 0.004 0.000 0.272 941 L C 0.958 177.830 176.870 0.003 0.000 1.189 941 L CA -0.327 54.389 54.840 -0.206 0.000 0.846 941 L CB 0.231 42.216 42.059 -0.123 0.000 1.111 941 L HN 0.371 nan 8.230 nan 0.000 0.475 942 R N 2.328 122.939 120.500 0.184 0.000 2.652 942 R HA -0.151 4.192 4.340 0.004 0.000 0.266 942 R C 1.524 177.863 176.300 0.065 0.000 0.866 942 R CA 0.761 56.949 56.100 0.146 0.000 1.107 942 R CB -0.144 30.245 30.300 0.147 0.000 0.884 942 R HN 0.870 nan 8.270 nan 0.000 0.421 943 S N 1.289 117.012 115.700 0.039 0.000 2.490 943 S HA -0.222 4.250 4.470 0.004 0.000 0.264 943 S C 1.007 175.619 174.600 0.021 0.000 0.992 943 S CA 2.022 60.232 58.200 0.017 0.000 0.970 943 S CB -0.130 63.071 63.200 0.003 0.000 0.739 943 S HN 0.745 nan 8.310 nan 0.000 0.518 944 T N -1.207 113.372 114.554 0.041 0.000 3.092 944 T HA 0.278 4.630 4.350 0.004 0.000 0.273 944 T C 0.012 174.750 174.700 0.062 0.000 0.898 944 T CA -0.498 61.630 62.100 0.045 0.000 0.868 944 T CB 0.455 69.353 68.868 0.051 0.000 1.228 944 T HN 0.432 nan 8.240 nan 0.000 0.555 945 E N 2.963 123.211 120.200 0.081 0.000 2.277 945 E HA 0.431 4.783 4.350 0.004 0.000 0.274 945 E C -0.871 175.774 176.600 0.075 0.000 1.022 945 E CA -0.545 55.922 56.400 0.111 0.000 0.853 945 E CB 0.557 30.355 29.700 0.164 0.000 1.086 945 E HN 0.385 nan 8.360 nan 0.000 0.397 946 N N 1.960 120.705 118.700 0.075 0.000 2.446 946 N HA 0.503 5.245 4.740 0.004 0.000 0.272 946 N C -0.575 174.955 175.510 0.033 0.000 1.127 946 N CA -0.580 52.491 53.050 0.036 0.000 0.896 946 N CB 1.749 40.252 38.487 0.026 0.000 1.658 946 N HN 0.613 nan 8.380 nan 0.000 0.483 947 G N 0.199 108.999 108.800 -0.001 0.000 2.704 947 G HA2 0.538 4.500 3.960 0.004 0.000 0.118 947 G HA3 0.538 4.500 3.960 0.004 0.000 0.118 947 G C -1.740 173.135 174.900 -0.043 0.000 1.197 947 G CA -0.573 44.510 45.100 -0.027 0.000 1.152 947 G HN 0.582 nan 8.290 nan 0.000 0.571 948 I N 0.829 121.360 120.570 -0.065 0.000 2.710 948 I HA 0.346 4.518 4.170 0.004 0.000 0.290 948 I C -0.121 175.959 176.117 -0.061 0.000 1.318 948 I CA -1.030 60.233 61.300 -0.062 0.000 1.045 948 I CB 2.205 40.165 38.000 -0.067 0.000 1.307 948 I HN 0.326 nan 8.210 nan 0.000 0.424 949 V N 3.086 122.970 119.914 -0.049 0.000 3.032 949 V HA -0.019 4.104 4.120 0.004 0.000 0.307 949 V C 0.333 176.412 176.094 -0.026 0.000 1.097 949 V CA 0.624 62.901 62.300 -0.039 0.000 1.191 949 V CB 1.027 32.827 31.823 -0.040 0.000 0.964 949 V HN 0.969 nan 8.190 nan 0.000 0.494 950 D N 0.438 120.837 120.400 -0.000 0.000 2.932 950 D HA 0.170 4.813 4.640 0.004 0.000 0.294 950 D C 0.489 176.808 176.300 0.031 0.000 1.119 950 D CA 0.223 54.235 54.000 0.020 0.000 0.980 950 D CB 0.724 41.577 40.800 0.088 0.000 1.361 950 D HN 0.713 nan 8.370 nan 0.000 0.466 951 Q N 0.131 119.955 119.800 0.040 0.000 2.418 951 Q HA 0.580 4.923 4.340 0.004 0.000 0.282 951 Q C -2.136 173.873 176.000 0.015 0.000 1.044 951 Q CA -0.811 55.009 55.803 0.028 0.000 0.813 951 Q CB 2.477 31.241 28.738 0.043 0.000 1.428 951 Q HN -0.022 nan 8.270 nan 0.000 0.402 952 V N 3.530 123.445 119.914 0.002 0.000 2.686 952 V HA 0.573 4.696 4.120 0.004 0.000 0.306 952 V C -0.816 175.273 176.094 -0.009 0.000 1.065 952 V CA -0.747 61.545 62.300 -0.013 0.000 0.894 952 V CB 1.693 33.493 31.823 -0.037 0.000 1.004 952 V HN 0.807 nan 8.190 nan 0.000 0.424 953 L N 5.194 126.411 121.223 -0.010 0.000 2.341 953 L HA 0.966 5.308 4.340 0.004 0.000 0.267 953 L C -1.485 175.393 176.870 0.014 0.000 1.009 953 L CA -0.601 54.246 54.840 0.012 0.000 0.819 953 L CB 2.344 44.425 42.059 0.036 0.000 1.323 953 L HN 0.467 nan 8.230 nan 0.000 0.425 954 V N 3.049 122.996 119.914 0.056 0.000 2.509 954 V HA 0.574 4.696 4.120 0.004 0.000 0.289 954 V C -0.322 175.850 176.094 0.130 0.000 1.026 954 V CA -0.157 62.196 62.300 0.088 0.000 0.872 954 V CB 0.882 32.734 31.823 0.048 0.000 1.017 954 V HN 1.048 nan 8.190 nan 0.000 0.436 955 T N 1.288 115.977 114.554 0.224 0.000 2.574 955 T HA 0.660 5.012 4.350 0.004 0.000 0.224 955 T C -0.522 174.332 174.700 0.257 0.000 0.792 955 T CA -0.459 61.763 62.100 0.203 0.000 1.317 955 T CB 2.043 71.012 68.868 0.169 0.000 1.590 955 T HN 0.572 nan 8.240 nan 0.000 0.456 956 T N 0.820 115.442 114.554 0.113 0.000 2.907 956 T HA 0.448 4.800 4.350 0.004 0.000 0.344 956 T C -1.968 172.567 174.700 -0.274 0.000 1.675 956 T CA -0.675 61.388 62.100 -0.063 0.000 1.076 956 T CB 1.639 70.510 68.868 0.005 0.000 1.483 956 T HN 0.590 nan 8.240 nan 0.000 0.487 957 N N 1.299 119.838 118.700 -0.269 0.000 2.361 957 N HA 0.458 5.201 4.740 0.004 0.000 0.302 957 N C 1.010 176.447 175.510 -0.123 0.000 1.074 957 N CA -0.464 52.424 53.050 -0.269 0.000 0.850 957 N CB 1.428 39.692 38.487 -0.372 0.000 1.228 957 N HN 0.717 nan 8.380 nan 0.000 0.491 958 Q N 1.018 120.761 119.800 -0.095 0.000 2.643 958 Q HA -0.412 3.930 4.340 0.004 0.000 0.343 958 Q C -0.127 175.855 176.000 -0.029 0.000 0.795 958 Q CA 2.658 58.440 55.803 -0.035 0.000 1.005 958 Q CB -0.429 28.295 28.738 -0.023 0.000 1.081 958 Q HN 0.733 nan 8.270 nan 0.000 0.785 959 D N -0.302 120.078 120.400 -0.034 0.000 2.421 959 D HA -0.115 4.528 4.640 0.004 0.000 0.241 959 D C 1.016 177.305 176.300 -0.018 0.000 1.114 959 D CA 1.120 55.103 54.000 -0.028 0.000 1.018 959 D CB -0.824 39.947 40.800 -0.049 0.000 0.872 959 D HN 0.703 nan 8.370 nan 0.000 0.508 960 G N 0.636 109.428 108.800 -0.013 0.000 2.205 960 G HA2 -0.360 3.602 3.960 0.004 0.000 0.269 960 G HA3 -0.360 3.602 3.960 0.004 0.000 0.269 960 G C 0.644 175.557 174.900 0.022 0.000 0.977 960 G CA 0.134 45.237 45.100 0.006 0.000 0.652 960 G HN 0.456 nan 8.290 nan 0.000 0.539 961 L N 0.014 121.245 121.223 0.013 0.000 2.781 961 L HA -0.063 4.279 4.340 0.004 0.000 0.308 961 L C 1.204 178.141 176.870 0.112 0.000 1.240 961 L CA 0.965 55.828 54.840 0.039 0.000 0.873 961 L CB 0.239 42.299 42.059 0.002 0.000 1.144 961 L HN 0.280 nan 8.230 nan 0.000 0.505 962 K N 2.737 123.236 120.400 0.164 0.000 2.174 962 K HA 0.457 4.779 4.320 0.004 0.000 0.275 962 K C -0.991 175.929 176.600 0.534 0.000 1.015 962 K CA -0.445 56.022 56.287 0.299 0.000 0.933 962 K CB 0.992 33.666 32.500 0.289 0.000 1.025 962 K HN 0.243 nan 8.250 nan 0.000 0.463 963 F N 2.315 122.400 119.950 0.224 0.000 2.608 963 F HA 0.459 4.989 4.527 0.005 0.000 0.309 963 F C -1.440 174.426 175.800 0.110 0.000 1.103 963 F CA -0.684 57.419 58.000 0.173 0.000 0.954 963 F CB 1.685 40.752 39.000 0.111 0.000 1.267 963 F HN 0.155 nan 8.300 nan 0.000 0.444 964 V N 4.724 124.435 119.914 -0.338 0.000 2.851 964 V HA 0.485 4.607 4.120 0.004 0.000 0.307 964 V C -1.291 174.629 176.094 -0.291 0.000 1.129 964 V CA -0.988 61.167 62.300 -0.241 0.000 0.932 964 V CB 2.583 34.226 31.823 -0.300 0.000 1.024 964 V HN 0.655 nan 8.190 nan 0.000 0.426 965 K N 3.581 123.888 120.400 -0.155 0.000 2.578 965 K HA 0.689 5.011 4.320 0.004 0.000 0.250 965 K C -1.446 175.131 176.600 -0.039 0.000 0.955 965 K CA -0.584 55.631 56.287 -0.119 0.000 0.825 965 K CB 2.490 34.938 32.500 -0.087 0.000 1.151 965 K HN 0.443 nan 8.250 nan 0.000 0.432 966 V N 3.006 122.923 119.914 0.006 0.000 2.427 966 V HA 0.447 4.569 4.120 0.004 0.000 0.286 966 V C 0.090 176.253 176.094 0.117 0.000 1.034 966 V CA -0.911 61.409 62.300 0.033 0.000 0.893 966 V CB 1.394 33.219 31.823 0.004 0.000 0.982 966 V HN 0.650 nan 8.190 nan 0.000 0.452 967 R N 2.609 123.159 120.500 0.082 0.000 2.598 967 R HA 0.841 5.183 4.340 0.004 0.000 0.279 967 R C -1.197 175.151 176.300 0.081 0.000 0.984 967 R CA -0.373 55.788 56.100 0.101 0.000 0.999 967 R CB 1.875 32.240 30.300 0.108 0.000 1.114 967 R HN 0.627 nan 8.270 nan 0.000 0.493 968 V N 2.336 122.280 119.914 0.049 0.000 3.001 968 V HA 0.648 4.770 4.120 0.004 0.000 0.314 968 V C -0.647 175.345 176.094 -0.170 0.000 1.099 968 V CA -1.053 61.228 62.300 -0.031 0.000 0.989 968 V CB 1.820 33.639 31.823 -0.006 0.000 1.040 968 V HN 0.788 nan 8.190 nan 0.000 0.434 969 R N 0.537 120.891 120.500 -0.242 0.000 2.771 969 R HA 0.833 5.176 4.340 0.004 0.000 0.274 969 R C -1.505 174.588 176.300 -0.345 0.000 0.987 969 R CA -0.198 55.600 56.100 -0.503 0.000 0.908 969 R CB 2.592 32.552 30.300 -0.566 0.000 1.213 969 R HN 0.869 nan 8.270 nan 0.000 0.468 970 T N 0.772 115.143 114.554 -0.306 0.000 2.843 970 T HA 0.357 4.709 4.350 0.004 0.000 0.302 970 T C -1.186 173.511 174.700 -0.005 0.000 1.232 970 T CA -0.450 61.607 62.100 -0.072 0.000 1.009 970 T CB 1.964 70.890 68.868 0.096 0.000 1.254 970 T HN 0.518 nan 8.240 nan 0.000 0.504 971 T N 2.286 116.876 114.554 0.060 0.000 2.855 971 T HA 0.555 4.907 4.350 0.004 0.000 0.281 971 T C -0.793 173.981 174.700 0.124 0.000 1.007 971 T CA -0.722 61.457 62.100 0.131 0.000 1.009 971 T CB 0.826 69.804 68.868 0.183 0.000 0.983 971 T HN 0.296 nan 8.240 nan 0.000 0.455 972 K N 2.786 123.258 120.400 0.120 0.000 2.376 972 K HA 0.559 4.881 4.320 0.004 0.000 0.257 972 K C -1.141 175.487 176.600 0.046 0.000 0.939 972 K CA -0.771 55.559 56.287 0.072 0.000 0.809 972 K CB 1.909 34.426 32.500 0.030 0.000 1.121 972 K HN 0.320 nan 8.250 nan 0.000 0.425 973 I N 3.959 124.551 120.570 0.036 0.000 2.562 973 I HA 0.265 4.438 4.170 0.004 0.000 0.301 973 I C -2.173 173.975 176.117 0.052 0.000 1.003 973 I CA -2.623 58.696 61.300 0.032 0.000 1.127 973 I CB 1.102 39.110 38.000 0.013 0.000 1.304 973 I HN 0.391 nan 8.210 nan 0.000 0.446 974 P HA -0.044 nan 4.420 nan 0.000 0.258 974 P C -0.741 176.607 177.300 0.080 0.000 1.172 974 P CA 0.363 63.549 63.100 0.143 0.000 0.762 974 P CB 0.570 32.377 31.700 0.177 0.000 0.764 975 Q N 2.525 122.376 119.800 0.084 0.000 3.274 975 Q HA 0.396 4.738 4.340 0.004 0.000 0.303 975 Q C 1.044 177.075 176.000 0.052 0.000 1.005 975 Q CA -0.977 54.856 55.803 0.051 0.000 0.831 975 Q CB 1.402 30.165 28.738 0.042 0.000 1.538 975 Q HN 0.193 nan 8.270 nan 0.000 0.481 976 I N -0.327 120.267 120.570 0.040 0.000 2.296 976 I HA -0.006 4.166 4.170 0.004 0.000 0.242 976 I C 1.548 177.696 176.117 0.052 0.000 1.087 976 I CA 1.154 62.476 61.300 0.036 0.000 1.393 976 I CB -0.032 37.987 38.000 0.031 0.000 1.093 976 I HN 0.781 nan 8.210 nan 0.000 0.421 977 G N 0.745 109.575 108.800 0.050 0.000 3.155 977 G HA2 -0.040 3.922 3.960 0.004 0.000 0.213 977 G HA3 -0.040 3.922 3.960 0.004 0.000 0.213 977 G C 0.019 174.965 174.900 0.077 0.000 1.196 977 G CA -0.130 45.003 45.100 0.055 0.000 0.846 977 G HN 0.243 nan 8.290 nan 0.000 0.516 978 D N 0.111 120.584 120.400 0.120 0.000 2.354 978 D HA 0.290 4.932 4.640 0.004 0.000 0.247 978 D C 0.277 176.687 176.300 0.185 0.000 1.138 978 D CA -0.143 53.928 54.000 0.118 0.000 0.958 978 D CB 1.498 42.360 40.800 0.104 0.000 1.144 978 D HN 0.020 nan 8.370 nan 0.000 0.458 979 K N -0.119 120.276 120.400 -0.008 0.000 2.098 979 K HA 0.509 4.831 4.320 0.004 0.000 0.257 979 K C -1.124 175.337 176.600 -0.231 0.000 0.999 979 K CA -0.149 56.145 56.287 0.011 0.000 0.924 979 K CB 0.568 33.049 32.500 -0.031 0.000 1.028 979 K HN 0.216 nan 8.250 nan 0.000 0.466 980 F N 0.317 120.236 119.950 -0.053 0.000 2.831 980 F HA 0.667 5.195 4.527 0.003 0.000 0.318 980 F C -0.817 174.987 175.800 0.007 0.000 1.174 980 F CA -0.041 57.921 58.000 -0.063 0.000 0.918 980 F CB 1.563 40.518 39.000 -0.075 0.000 1.364 980 F HN 0.698 nan 8.300 nan 0.000 0.475 981 A N 0.011 123.013 122.820 0.303 0.000 2.435 981 A HA 0.378 4.700 4.320 0.004 0.000 0.686 981 A C 0.310 177.846 177.584 -0.080 0.000 0.139 981 A CA -0.790 51.353 52.037 0.176 0.000 0.028 981 A CB -1.754 17.374 19.000 0.213 0.000 3.972 981 A HN 1.940 nan 8.150 nan 0.000 0.548 982 S N 0.520 115.876 115.700 -0.573 0.000 4.338 982 S HA -0.216 4.257 4.470 0.004 0.000 0.407 982 S C 1.118 175.546 174.600 -0.287 0.000 1.550 982 S CA 1.682 59.389 58.200 -0.821 0.000 2.411 982 S CB -0.109 62.807 63.200 -0.472 0.000 1.446 982 S HN 1.667 nan 8.310 nan 0.000 0.281 983 R N -0.213 120.239 120.500 -0.080 0.000 2.468 983 R HA 0.083 4.425 4.340 0.004 0.000 0.352 983 R C -0.781 175.751 176.300 0.387 0.000 0.858 983 R CA 0.036 56.211 56.100 0.125 0.000 1.108 983 R CB 0.315 30.662 30.300 0.078 0.000 1.741 983 R HN 0.799 nan 8.270 nan 0.000 0.504 984 H N -1.366 117.690 119.070 -0.023 0.000 2.505 984 H HA 0.407 4.965 4.556 0.003 0.000 0.260 984 H C 1.015 176.381 175.328 0.064 0.000 1.232 984 H CA -0.825 55.248 56.048 0.042 0.000 0.991 984 H CB 0.309 30.103 29.762 0.055 0.000 1.729 984 H HN 0.274 nan 8.280 nan 0.000 0.561 985 G N 0.869 109.780 108.800 0.184 0.000 2.186 985 G HA2 -0.347 3.615 3.960 0.004 0.000 0.266 985 G HA3 -0.347 3.615 3.960 0.004 0.000 0.266 985 G C 0.604 175.547 174.900 0.071 0.000 0.982 985 G CA 0.241 45.438 45.100 0.161 0.000 0.670 985 G HN 0.441 nan 8.290 nan 0.000 0.533 986 Q N 0.901 120.730 119.800 0.048 0.000 3.150 986 Q HA 0.209 4.551 4.340 0.004 0.000 0.297 986 Q C 0.944 176.960 176.000 0.027 0.000 1.382 986 Q CA -0.016 55.794 55.803 0.012 0.000 1.059 986 Q CB -0.052 28.670 28.738 -0.027 0.000 1.559 986 Q HN 0.786 nan 8.270 nan 0.000 0.548 987 K N -0.183 120.221 120.400 0.007 0.000 2.383 987 K HA 0.441 4.763 4.320 0.004 0.000 0.286 987 K C -0.056 176.579 176.600 0.057 0.000 1.051 987 K CA -0.062 56.240 56.287 0.025 0.000 0.974 987 K CB 0.619 33.103 32.500 -0.026 0.000 0.968 987 K HN 0.268 nan 8.250 nan 0.000 0.475 988 G N 1.498 110.370 108.800 0.119 0.000 2.630 988 G HA2 0.487 4.450 3.960 0.004 0.000 0.296 988 G HA3 0.487 4.450 3.960 0.004 0.000 0.296 988 G C -0.954 174.021 174.900 0.127 0.000 1.285 988 G CA -0.703 44.458 45.100 0.102 0.000 0.958 988 G HN 0.745 nan 8.290 nan 0.000 0.479 989 T N -1.758 112.848 114.554 0.086 0.000 2.937 989 T HA 0.662 5.015 4.350 0.004 0.000 0.283 989 T C 0.112 174.846 174.700 0.058 0.000 1.012 989 T CA -0.718 61.451 62.100 0.113 0.000 0.997 989 T CB 1.163 70.076 68.868 0.074 0.000 1.136 989 T HN 0.351 nan 8.240 nan 0.000 0.551 990 I N 1.606 122.206 120.570 0.049 0.000 2.496 990 I HA 0.326 4.498 4.170 0.004 0.000 0.285 990 I C 1.528 177.650 176.117 0.007 0.000 1.080 990 I CA 0.130 61.411 61.300 -0.030 0.000 1.404 990 I CB 1.095 39.078 38.000 -0.028 0.000 1.403 990 I HN 1.021 nan 8.210 nan 0.000 0.539 991 G N 6.568 115.369 108.800 0.003 0.000 2.887 991 G HA2 0.303 4.265 3.960 0.004 0.000 0.211 991 G HA3 0.303 4.265 3.960 0.004 0.000 0.211 991 G C 0.071 175.010 174.900 0.065 0.000 1.152 991 G CA 0.300 45.446 45.100 0.077 0.000 0.769 991 G HN 0.448 nan 8.290 nan 0.000 0.541 992 I N -1.058 119.483 120.570 -0.048 0.000 2.161 992 I HA 0.277 4.449 4.170 0.004 0.000 0.317 992 I C -0.933 175.075 176.117 -0.181 0.000 2.543 992 I CA -0.401 60.828 61.300 -0.118 0.000 0.934 992 I CB 1.434 39.290 38.000 -0.241 0.000 1.871 992 I HN 0.082 nan 8.210 nan 0.000 0.688 993 T N 1.390 115.885 114.554 -0.099 0.000 2.912 993 T HA 0.800 5.152 4.350 0.004 0.000 0.288 993 T C -1.213 173.615 174.700 0.214 0.000 1.030 993 T CA -0.361 61.716 62.100 -0.040 0.000 1.020 993 T CB 1.347 70.213 68.868 -0.003 0.000 1.056 993 T HN 0.421 nan 8.240 nan 0.000 0.480 994 Y N 0.051 120.306 120.300 -0.076 0.000 2.477 994 Y HA 0.514 5.066 4.550 0.003 0.000 0.347 994 Y C 0.709 176.574 175.900 -0.058 0.000 0.981 994 Y CA -1.628 56.433 58.100 -0.064 0.000 1.033 994 Y CB 2.492 40.913 38.460 -0.066 0.000 1.245 994 Y HN 0.541 nan 8.280 nan 0.000 0.455 995 R N 1.360 121.904 120.500 0.073 0.000 2.539 995 R HA 0.136 4.478 4.340 0.004 0.000 0.275 995 R C 1.403 177.711 176.300 0.013 0.000 1.077 995 R CA -0.033 56.078 56.100 0.019 0.000 1.097 995 R CB 0.718 31.014 30.300 -0.007 0.000 1.018 995 R HN 0.743 nan 8.270 nan 0.000 0.483 996 R N 1.630 122.126 120.500 -0.007 0.000 2.165 996 R HA -0.310 4.032 4.340 0.004 0.000 0.254 996 R C 1.104 177.396 176.300 -0.013 0.000 1.153 996 R CA 2.617 58.709 56.100 -0.014 0.000 0.971 996 R CB 0.018 30.296 30.300 -0.036 0.000 0.878 996 R HN 0.685 nan 8.270 nan 0.000 0.449 997 E N 0.701 120.887 120.200 -0.025 0.000 2.006 997 E HA -0.173 4.179 4.350 0.004 0.000 0.192 997 E C 1.661 178.268 176.600 0.012 0.000 0.993 997 E CA 1.719 58.105 56.400 -0.023 0.000 0.808 997 E CB -0.651 29.035 29.700 -0.024 0.000 0.764 997 E HN 0.439 nan 8.360 nan 0.000 0.449 998 D N 0.433 120.817 120.400 -0.027 0.000 2.203 998 D HA -0.171 4.472 4.640 0.004 0.000 0.199 998 D C 0.714 177.009 176.300 -0.008 0.000 0.997 998 D CA 0.827 54.756 54.000 -0.118 0.000 0.863 998 D CB -0.283 40.344 40.800 -0.289 0.000 0.928 998 D HN 0.168 nan 8.370 nan 0.000 0.458 999 M N 1.555 121.191 119.600 0.060 0.000 2.245 999 M HA 0.059 4.541 4.480 0.004 0.000 0.312 999 M C -2.122 174.255 176.300 0.129 0.000 1.070 999 M CA -1.024 54.287 55.300 0.018 0.000 1.162 999 M CB 0.245 32.839 32.600 -0.011 0.000 1.448 999 M HN -0.158 nan 8.290 nan 0.000 0.446 1000 P HA 0.268 nan 4.420 nan 0.000 0.276 1000 P C -1.509 175.930 177.300 0.231 0.000 1.244 1000 P CA -0.190 63.037 63.100 0.212 0.000 0.801 1000 P CB 0.356 32.124 31.700 0.113 0.000 1.006 1001 F N -2.398 117.582 119.950 0.050 0.000 2.588 1001 F HA 0.625 5.155 4.527 0.004 0.000 0.314 1001 F C 0.181 175.960 175.800 -0.036 0.000 1.069 1001 F CA -1.246 56.735 58.000 -0.030 0.000 0.931 1001 F CB 1.026 40.012 39.000 -0.022 0.000 1.260 1001 F HN 0.207 nan 8.300 nan 0.000 0.465 1002 T N 0.540 115.136 114.554 0.070 0.000 2.813 1002 T HA 0.426 4.778 4.350 0.004 0.000 0.297 1002 T C 1.182 176.042 174.700 0.268 0.000 1.036 1002 T CA 0.199 62.310 62.100 0.018 0.000 1.044 1002 T CB 1.165 69.926 68.868 -0.178 0.000 0.993 1002 T HN 0.923 nan 8.240 nan 0.000 0.535 1003 A N 2.344 125.274 122.820 0.182 0.000 2.067 1003 A HA 0.044 4.367 4.320 0.004 0.000 0.219 1003 A C 1.928 179.534 177.584 0.036 0.000 1.158 1003 A CA 1.389 53.483 52.037 0.095 0.000 0.661 1003 A CB -0.525 18.519 19.000 0.073 0.000 0.801 1003 A HN 0.948 nan 8.150 nan 0.000 0.452 1004 E N -1.635 118.581 120.200 0.028 0.000 2.482 1004 E HA 0.264 4.616 4.350 0.004 0.000 0.196 1004 E C 1.314 177.916 176.600 0.003 0.000 1.047 1004 E CA 0.519 56.920 56.400 0.001 0.000 0.869 1004 E CB 0.066 29.769 29.700 0.005 0.000 0.836 1004 E HN 0.680 nan 8.360 nan 0.000 0.520 1005 G N 0.318 109.129 108.800 0.018 0.000 2.796 1005 G HA2 -0.189 3.773 3.960 0.004 0.000 0.198 1005 G HA3 -0.189 3.773 3.960 0.004 0.000 0.198 1005 G C 0.254 175.137 174.900 -0.029 0.000 1.062 1005 G CA -0.438 44.630 45.100 -0.053 0.000 0.752 1005 G HN 0.095 nan 8.290 nan 0.000 0.487 1006 I N 1.795 122.396 120.570 0.051 0.000 2.948 1006 I HA 0.273 4.446 4.170 0.004 0.000 0.303 1006 I C 0.862 177.062 176.117 0.137 0.000 1.224 1006 I CA 0.838 62.204 61.300 0.110 0.000 1.442 1006 I CB 0.891 39.037 38.000 0.243 0.000 1.328 1006 I HN 0.101 nan 8.210 nan 0.000 0.578 1007 V N 7.157 127.165 119.914 0.156 0.000 3.158 1007 V HA 0.562 4.684 4.120 0.004 0.000 0.311 1007 V C -2.161 174.124 176.094 0.319 0.000 1.181 1007 V CA -1.511 60.922 62.300 0.221 0.000 1.054 1007 V CB 2.878 34.765 31.823 0.107 0.000 1.085 1007 V HN 0.673 nan 8.190 nan 0.000 0.446 1008 P HA 0.373 nan 4.420 nan 0.000 0.281 1008 P C -0.825 176.459 177.300 -0.027 0.000 1.281 1008 P CA -0.172 63.007 63.100 0.131 0.000 0.811 1008 P CB 1.780 33.545 31.700 0.108 0.000 1.154 1009 D N -0.958 119.370 120.400 -0.119 0.000 2.431 1009 D HA 0.137 4.779 4.640 0.004 0.000 0.235 1009 D C 0.128 176.320 176.300 -0.180 0.000 0.980 1009 D CA 1.029 54.941 54.000 -0.148 0.000 0.912 1009 D CB 0.190 40.874 40.800 -0.193 0.000 1.056 1009 D HN 0.131 nan 8.370 nan 0.000 0.494 1010 L N 0.607 121.697 121.223 -0.222 0.000 2.436 1010 L HA 0.465 4.808 4.340 0.004 0.000 0.268 1010 L C -1.868 174.878 176.870 -0.208 0.000 0.974 1010 L CA -0.676 54.009 54.840 -0.258 0.000 0.826 1010 L CB 2.030 43.869 42.059 -0.367 0.000 1.291 1010 L HN -0.280 nan 8.230 nan 0.000 0.406 1011 I N 5.837 126.302 120.570 -0.176 0.000 2.410 1011 I HA 0.478 4.650 4.170 0.004 0.000 0.286 1011 I C -0.216 175.864 176.117 -0.063 0.000 1.009 1011 I CA -0.316 60.919 61.300 -0.109 0.000 1.111 1011 I CB 1.551 39.486 38.000 -0.107 0.000 1.262 1011 I HN 0.585 nan 8.210 nan 0.000 0.443 1012 I N 2.932 123.501 120.570 -0.001 0.000 2.577 1012 I HA 0.533 4.705 4.170 0.004 0.000 0.300 1012 I C 0.366 176.521 176.117 0.063 0.000 0.990 1012 I CA -0.278 61.048 61.300 0.044 0.000 1.283 1012 I CB 0.606 38.661 38.000 0.092 0.000 1.411 1012 I HN 0.426 nan 8.210 nan 0.000 0.515 1013 N N 5.543 124.282 118.700 0.064 0.000 2.492 1013 N HA 0.152 4.894 4.740 0.004 0.000 0.262 1013 N C -1.727 173.828 175.510 0.074 0.000 1.202 1013 N CA -1.468 51.637 53.050 0.092 0.000 0.926 1013 N CB 1.027 39.574 38.487 0.099 0.000 1.078 1013 N HN 0.549 nan 8.380 nan 0.000 0.454 1014 P HA 0.009 nan 4.420 nan 0.000 0.255 1014 P C 0.443 177.663 177.300 -0.132 0.000 1.248 1014 P CA 0.596 63.685 63.100 -0.018 0.000 0.807 1014 P CB 0.091 31.780 31.700 -0.018 0.000 1.150 1015 H N 0.683 119.748 119.070 -0.008 0.000 2.570 1015 H HA 0.127 4.685 4.556 0.004 0.000 0.280 1015 H C 0.449 175.757 175.328 -0.034 0.000 1.038 1015 H CA 0.580 56.618 56.048 -0.017 0.000 1.186 1015 H CB 0.062 29.819 29.762 -0.009 0.000 1.339 1015 H HN 0.140 nan 8.280 nan 0.000 0.615 1016 A N 0.986 123.784 122.820 -0.036 0.000 3.105 1016 A HA 0.374 4.696 4.320 0.004 0.000 0.336 1016 A C 0.529 178.044 177.584 -0.115 0.000 1.042 1016 A CA -0.321 51.684 52.037 -0.052 0.000 0.851 1016 A CB 0.096 19.083 19.000 -0.021 0.000 1.068 1016 A HN 0.168 nan 8.150 nan 0.000 0.477 1017 I N -0.669 119.828 120.570 -0.123 0.000 4.505 1017 I HA 0.074 4.246 4.170 0.004 0.000 0.294 1017 I C -1.181 174.861 176.117 -0.126 0.000 1.144 1017 I CA 0.207 61.411 61.300 -0.159 0.000 1.325 1017 I CB -1.188 36.693 38.000 -0.197 0.000 1.663 1017 I HN 0.174 nan 8.210 nan 0.000 0.454 1018 P HA -0.102 nan 4.420 nan 0.000 0.213 1018 P C 1.836 179.104 177.300 -0.054 0.000 1.170 1018 P CA 2.210 65.259 63.100 -0.085 0.000 0.893 1018 P CB 0.199 31.846 31.700 -0.089 0.000 0.784 1019 S N -0.616 115.058 115.700 -0.043 0.000 2.522 1019 S HA -0.050 4.422 4.470 0.004 0.000 0.227 1019 S C 1.329 175.922 174.600 -0.012 0.000 0.986 1019 S CA 0.395 58.582 58.200 -0.021 0.000 0.929 1019 S CB -0.626 62.570 63.200 -0.008 0.000 0.769 1019 S HN 0.154 nan 8.310 nan 0.000 0.529 1020 R N 1.127 121.615 120.500 -0.020 0.000 2.509 1020 R HA 0.370 4.712 4.340 0.004 0.000 0.300 1020 R C 0.309 176.611 176.300 0.004 0.000 0.985 1020 R CA 0.105 56.209 56.100 0.008 0.000 1.092 1020 R CB -0.539 29.776 30.300 0.025 0.000 1.237 1020 R HN 0.444 nan 8.270 nan 0.000 0.546 1021 M N 0.377 119.965 119.600 -0.021 0.000 2.136 1021 M HA -0.186 4.296 4.480 0.004 0.000 0.194 1021 M C -0.088 176.210 176.300 -0.004 0.000 0.337 1021 M CA 1.179 56.467 55.300 -0.020 0.000 0.385 1021 M CB -2.455 30.143 32.600 -0.003 0.000 1.066 1021 M HN 0.023 nan 8.290 nan 0.000 0.943 1022 T N 0.520 115.056 114.554 -0.030 0.000 3.783 1022 T HA 0.416 4.768 4.350 0.004 0.000 0.262 1022 T C 1.335 176.024 174.700 -0.018 0.000 1.381 1022 T CA -0.143 61.953 62.100 -0.007 0.000 1.155 1022 T CB -0.187 68.661 68.868 -0.034 0.000 1.256 1022 T HN 0.386 nan 8.240 nan 0.000 0.807 1023 V N 2.183 122.103 119.914 0.011 0.000 2.453 1023 V HA -0.208 3.914 4.120 0.004 0.000 0.252 1023 V C 2.810 178.926 176.094 0.037 0.000 1.068 1023 V CA 2.092 64.386 62.300 -0.010 0.000 1.070 1023 V CB -1.101 30.728 31.823 0.010 0.000 0.664 1023 V HN 0.814 nan 8.190 nan 0.000 0.461 1024 A N -0.629 122.289 122.820 0.163 0.000 1.859 1024 A HA -0.338 3.984 4.320 0.004 0.000 0.217 1024 A C 2.168 179.943 177.584 0.318 0.000 1.198 1024 A CA 2.186 54.400 52.037 0.294 0.000 0.629 1024 A CB -1.078 18.209 19.000 0.480 0.000 0.830 1024 A HN 0.677 nan 8.150 nan 0.000 0.446 1025 H N 0.232 119.249 119.070 -0.089 0.000 2.280 1025 H HA -0.245 4.313 4.556 0.003 0.000 0.284 1025 H C 1.979 177.268 175.328 -0.065 0.000 1.108 1025 H CA 2.650 58.450 56.048 -0.413 0.000 1.163 1025 H CB -0.594 28.876 29.762 -0.486 0.000 1.358 1025 H HN 0.416 nan 8.280 nan 0.000 0.505 1026 L N 0.235 121.530 121.223 0.120 0.000 1.990 1026 L HA -0.263 4.079 4.340 0.004 0.000 0.213 1026 L C 3.020 179.945 176.870 0.093 0.000 1.072 1026 L CA 1.806 56.638 54.840 -0.014 0.000 0.755 1026 L CB -0.690 41.203 42.059 -0.276 0.000 0.889 1026 L HN 0.323 nan 8.230 nan 0.000 0.432 1027 I N 0.003 120.620 120.570 0.079 0.000 2.076 1027 I HA -0.348 3.824 4.170 0.004 0.000 0.237 1027 I C 2.536 178.789 176.117 0.226 0.000 1.059 1027 I CA 1.804 63.177 61.300 0.121 0.000 1.317 1027 I CB -0.789 37.259 38.000 0.080 0.000 1.037 1027 I HN 0.330 nan 8.210 nan 0.000 0.398 1028 E N 0.599 120.962 120.200 0.272 0.000 2.301 1028 E HA -0.378 3.974 4.350 0.004 0.000 0.224 1028 E C 2.193 178.847 176.600 0.090 0.000 1.092 1028 E CA 2.573 59.046 56.400 0.123 0.000 0.913 1028 E CB -0.369 29.386 29.700 0.092 0.000 0.776 1028 E HN 0.625 nan 8.360 nan 0.000 0.465 1029 C N -0.799 118.592 119.300 0.152 0.000 2.541 1029 C HA -0.042 4.421 4.460 0.004 0.000 0.282 1029 C C 2.530 177.566 174.990 0.076 0.000 1.263 1029 C CA 0.746 59.844 59.018 0.133 0.000 1.709 1029 C CB -1.311 26.627 27.740 0.331 0.000 2.097 1029 C HN 0.667 nan 8.230 nan 0.000 0.480 1030 L N 0.691 122.020 121.223 0.178 0.000 1.980 1030 L HA -0.218 4.125 4.340 0.004 0.000 0.232 1030 L C 2.403 179.303 176.870 0.050 0.000 1.092 1030 L CA 2.390 57.305 54.840 0.126 0.000 0.808 1030 L CB -1.053 41.123 42.059 0.195 0.000 0.908 1030 L HN 0.384 nan 8.230 nan 0.000 0.442 1031 L N -0.739 120.532 121.223 0.081 0.000 1.997 1031 L HA -0.353 3.990 4.340 0.004 0.000 0.227 1031 L C 2.647 179.501 176.870 -0.026 0.000 1.087 1031 L CA 2.425 57.286 54.840 0.035 0.000 0.797 1031 L CB -1.330 40.761 42.059 0.054 0.000 0.902 1031 L HN 0.420 nan 8.230 nan 0.000 0.441 1032 S N -1.050 114.637 115.700 -0.023 0.000 2.420 1032 S HA -0.240 4.232 4.470 0.004 0.000 0.237 1032 S C 1.831 176.386 174.600 -0.075 0.000 1.023 1032 S CA 1.615 59.788 58.200 -0.046 0.000 0.991 1032 S CB -0.273 62.911 63.200 -0.025 0.000 0.792 1032 S HN 0.557 nan 8.310 nan 0.000 0.488 1033 K N 1.107 121.447 120.400 -0.100 0.000 2.005 1033 K HA 0.031 4.353 4.320 0.004 0.000 0.206 1033 K C 1.926 178.425 176.600 -0.167 0.000 1.044 1033 K CA 1.110 57.302 56.287 -0.158 0.000 0.942 1033 K CB -0.713 31.654 32.500 -0.222 0.000 0.727 1033 K HN 0.099 nan 8.250 nan 0.000 0.439 1034 V N 1.920 121.733 119.914 -0.169 0.000 2.311 1034 V HA -0.391 3.731 4.120 0.004 0.000 0.259 1034 V C 2.583 178.590 176.094 -0.146 0.000 1.086 1034 V CA 2.432 64.619 62.300 -0.189 0.000 1.078 1034 V CB -0.816 30.915 31.823 -0.152 0.000 0.668 1034 V HN 0.639 nan 8.190 nan 0.000 0.452 1035 A N -1.145 121.615 122.820 -0.100 0.000 1.826 1035 A HA 0.051 4.373 4.320 0.004 0.000 0.214 1035 A C 2.447 180.006 177.584 -0.041 0.000 1.212 1035 A CA 2.025 54.021 52.037 -0.068 0.000 0.605 1035 A CB -1.220 17.743 19.000 -0.062 0.000 0.861 1035 A HN 0.737 nan 8.150 nan 0.000 0.447 1036 A N -0.151 122.642 122.820 -0.045 0.000 1.906 1036 A HA -0.290 4.032 4.320 0.004 0.000 0.222 1036 A C 2.186 179.764 177.584 -0.010 0.000 1.282 1036 A CA 2.212 54.230 52.037 -0.031 0.000 0.675 1036 A CB -1.176 17.794 19.000 -0.049 0.000 0.838 1036 A HN 0.519 nan 8.150 nan 0.000 0.469 1037 L N -0.115 121.094 121.223 -0.023 0.000 1.933 1037 L HA -0.268 4.074 4.340 0.004 0.000 0.220 1037 L C 3.036 179.989 176.870 0.138 0.000 1.078 1037 L CA 2.439 57.319 54.840 0.067 0.000 0.773 1037 L CB -0.607 41.533 42.059 0.136 0.000 0.890 1037 L HN 0.640 nan 8.230 nan 0.000 0.434 1038 S N -0.110 115.698 115.700 0.180 0.000 2.500 1038 S HA -0.023 4.450 4.470 0.004 0.000 0.239 1038 S C 1.366 176.022 174.600 0.094 0.000 0.989 1038 S CA 0.383 58.718 58.200 0.224 0.000 0.951 1038 S CB -0.928 62.331 63.200 0.097 0.000 0.759 1038 S HN 0.676 nan 8.310 nan 0.000 0.523 1039 G N 1.738 110.566 108.800 0.046 0.000 2.367 1039 G HA2 -0.201 3.761 3.960 0.004 0.000 0.295 1039 G HA3 -0.201 3.761 3.960 0.004 0.000 0.295 1039 G C -0.469 174.436 174.900 0.008 0.000 1.019 1039 G CA 0.048 45.160 45.100 0.020 0.000 1.224 1039 G HN 0.556 nan 8.290 nan 0.000 0.510 1040 N N -0.435 118.261 118.700 -0.007 0.000 2.262 1040 N HA 0.448 5.190 4.740 0.004 0.000 0.295 1040 N C -0.414 175.074 175.510 -0.037 0.000 1.161 1040 N CA -0.857 52.181 53.050 -0.019 0.000 0.767 1040 N CB 1.690 40.167 38.487 -0.016 0.000 1.499 1040 N HN 0.484 nan 8.380 nan 0.000 0.476 1041 E N -0.145 120.028 120.200 -0.045 0.000 2.290 1041 E HA 0.326 4.678 4.350 0.004 0.000 0.277 1041 E C 0.285 176.841 176.600 -0.074 0.000 1.035 1041 E CA -0.466 55.894 56.400 -0.066 0.000 0.873 1041 E CB 0.362 30.014 29.700 -0.080 0.000 1.029 1041 E HN 0.630 nan 8.360 nan 0.000 0.419 1042 G N 4.732 113.479 108.800 -0.089 0.000 2.661 1042 G HA2 -0.074 3.888 3.960 0.004 0.000 0.292 1042 G HA3 -0.074 3.888 3.960 0.004 0.000 0.292 1042 G C -0.275 174.537 174.900 -0.147 0.000 0.781 1042 G CA -0.326 44.711 45.100 -0.106 0.000 1.860 1042 G HN 0.578 nan 8.290 nan 0.000 0.512 1043 D N 2.129 122.464 120.400 -0.107 0.000 2.383 1043 D HA 0.344 4.986 4.640 0.004 0.000 0.245 1043 D C 0.525 176.747 176.300 -0.131 0.000 1.263 1043 D CA -0.173 53.761 54.000 -0.110 0.000 0.936 1043 D CB 0.590 41.365 40.800 -0.041 0.000 1.053 1043 D HN 0.316 nan 8.370 nan 0.000 0.507 1044 A N 3.289 125.930 122.820 -0.299 0.000 3.201 1044 A HA 0.408 4.731 4.320 0.004 0.000 0.312 1044 A C 0.328 177.780 177.584 -0.221 0.000 1.011 1044 A CA -0.643 51.053 52.037 -0.568 0.000 0.987 1044 A CB 0.119 18.129 19.000 -1.650 0.000 1.060 1044 A HN 0.372 nan 8.150 nan 0.000 0.505 1045 S N 0.873 116.578 115.700 0.009 0.000 2.655 1045 S HA 0.384 4.856 4.470 0.004 0.000 0.265 1045 S C -1.782 172.901 174.600 0.138 0.000 1.240 1045 S CA -0.947 57.258 58.200 0.008 0.000 0.986 1045 S CB 0.602 63.775 63.200 -0.045 0.000 0.985 1045 S HN 0.326 nan 8.310 nan 0.000 0.562 1046 P HA 0.046 nan 4.420 nan 0.000 0.206 1046 P C -0.225 177.050 177.300 -0.042 0.000 1.209 1046 P CA 0.753 63.797 63.100 -0.093 0.000 0.923 1046 P CB -0.014 31.354 31.700 -0.554 0.000 0.761 1047 F N 0.619 120.698 119.950 0.214 0.000 2.490 1047 F HA 0.193 4.722 4.527 0.004 0.000 0.357 1047 F C 0.855 176.770 175.800 0.191 0.000 1.166 1047 F CA 0.021 58.111 58.000 0.150 0.000 1.116 1047 F CB -0.823 38.216 39.000 0.064 0.000 1.171 1047 F HN 0.019 nan 8.300 nan 0.000 0.576 1048 T N -1.634 113.096 114.554 0.292 0.000 2.711 1048 T HA 0.176 4.528 4.350 0.004 0.000 0.302 1048 T C -0.085 174.702 174.700 0.144 0.000 1.373 1048 T CA -0.910 61.323 62.100 0.223 0.000 1.000 1048 T CB 1.645 70.646 68.868 0.222 0.000 1.483 1048 T HN 0.157 nan 8.240 nan 0.000 0.499 1049 D N -0.125 120.358 120.400 0.138 0.000 2.328 1049 D HA 0.320 4.962 4.640 0.004 0.000 0.221 1049 D C 0.123 176.472 176.300 0.082 0.000 1.072 1049 D CA -0.031 54.028 54.000 0.099 0.000 0.850 1049 D CB -0.075 40.780 40.800 0.092 0.000 0.922 1049 D HN 0.440 nan 8.370 nan 0.000 0.516 1050 I N 0.354 120.981 120.570 0.095 0.000 2.440 1050 I HA 0.133 4.305 4.170 0.004 0.000 0.294 1050 I C 0.528 176.673 176.117 0.046 0.000 0.995 1050 I CA 0.079 61.429 61.300 0.083 0.000 1.306 1050 I CB 1.679 39.757 38.000 0.130 0.000 1.407 1050 I HN -0.289 nan 8.210 nan 0.000 0.501 1051 T N 4.272 118.848 114.554 0.038 0.000 2.916 1051 T HA 0.190 4.542 4.350 0.004 0.000 0.292 1051 T C 0.844 175.550 174.700 0.011 0.000 1.055 1051 T CA -0.507 61.607 62.100 0.023 0.000 1.009 1051 T CB 2.509 71.395 68.868 0.031 0.000 1.118 1051 T HN 0.288 nan 8.240 nan 0.000 0.497 1052 V N 1.470 121.386 119.914 0.004 0.000 2.295 1052 V HA -0.134 3.988 4.120 0.004 0.000 0.246 1052 V C 2.414 178.528 176.094 0.034 0.000 1.049 1052 V CA 1.882 64.188 62.300 0.009 0.000 1.024 1052 V CB -0.335 31.496 31.823 0.013 0.000 0.648 1052 V HN 0.766 nan 8.190 nan 0.000 0.447 1053 E N 0.083 120.305 120.200 0.036 0.000 2.015 1053 E HA -0.154 4.198 4.350 0.004 0.000 0.191 1053 E C 2.307 178.931 176.600 0.040 0.000 0.991 1053 E CA 1.361 57.786 56.400 0.042 0.000 0.802 1053 E CB -0.943 28.780 29.700 0.039 0.000 0.759 1053 E HN 0.615 nan 8.360 nan 0.000 0.447 1054 G N 1.909 110.731 108.800 0.036 0.000 2.626 1054 G HA2 -0.264 3.698 3.960 0.004 0.000 0.224 1054 G HA3 -0.264 3.698 3.960 0.004 0.000 0.224 1054 G C 1.552 176.470 174.900 0.029 0.000 1.095 1054 G CA 0.878 45.999 45.100 0.035 0.000 0.738 1054 G HN 0.129 nan 8.290 nan 0.000 0.600 1055 I N 0.882 121.471 120.570 0.030 0.000 2.260 1055 I HA -0.043 4.129 4.170 0.004 0.000 0.237 1055 I C 2.820 178.948 176.117 0.019 0.000 1.075 1055 I CA 1.219 62.532 61.300 0.023 0.000 1.376 1055 I CB -1.241 36.783 38.000 0.040 0.000 1.107 1055 I HN 0.117 nan 8.210 nan 0.000 0.420 1056 S N 1.231 116.956 115.700 0.042 0.000 2.440 1056 S HA -0.168 4.304 4.470 0.004 0.000 0.238 1056 S C 1.819 176.451 174.600 0.052 0.000 1.010 1056 S CA 1.169 59.403 58.200 0.056 0.000 0.972 1056 S CB -0.232 63.016 63.200 0.081 0.000 0.774 1056 S HN 0.392 nan 8.310 nan 0.000 0.501 1057 K N 1.557 121.982 120.400 0.041 0.000 2.031 1057 K HA 0.142 4.464 4.320 0.004 0.000 0.205 1057 K C 1.928 178.548 176.600 0.032 0.000 1.049 1057 K CA 0.704 57.017 56.287 0.043 0.000 0.939 1057 K CB -0.423 32.101 32.500 0.040 0.000 0.717 1057 K HN 0.206 nan 8.250 nan 0.000 0.438 1058 L N 0.798 122.020 121.223 -0.001 0.000 2.013 1058 L HA -0.229 4.114 4.340 0.004 0.000 0.212 1058 L C 2.450 179.280 176.870 -0.066 0.000 1.073 1058 L CA 1.159 55.968 54.840 -0.053 0.000 0.753 1058 L CB -0.560 41.436 42.059 -0.104 0.000 0.890 1058 L HN 0.236 nan 8.230 nan 0.000 0.432 1059 L N -0.063 121.135 121.223 -0.043 0.000 2.046 1059 L HA -0.212 4.130 4.340 0.004 0.000 0.208 1059 L C 2.664 179.585 176.870 0.086 0.000 1.077 1059 L CA 1.480 56.299 54.840 -0.036 0.000 0.747 1059 L CB -0.454 41.581 42.059 -0.040 0.000 0.896 1059 L HN 0.076 nan 8.230 nan 0.000 0.432 1060 R N 0.776 121.340 120.500 0.108 0.000 2.205 1060 R HA -0.280 4.062 4.340 0.004 0.000 0.221 1060 R C 2.123 178.535 176.300 0.187 0.000 1.101 1060 R CA 2.300 58.492 56.100 0.154 0.000 0.869 1060 R CB -1.235 29.135 30.300 0.116 0.000 0.815 1060 R HN 0.516 nan 8.270 nan 0.000 0.434 1061 E N -1.128 119.163 120.200 0.151 0.000 2.573 1061 E HA -0.296 4.057 4.350 0.004 0.000 0.246 1061 E C 0.793 177.557 176.600 0.272 0.000 1.201 1061 E CA 1.996 58.503 56.400 0.179 0.000 0.930 1061 E CB -0.300 29.513 29.700 0.189 0.000 0.770 1061 E HN 0.554 nan 8.360 nan 0.000 0.449 1062 H N -2.099 117.038 119.070 0.111 0.000 2.487 1062 H HA 0.178 4.736 4.556 0.003 0.000 0.290 1062 H C 1.306 176.800 175.328 0.276 0.000 1.081 1062 H CA 0.046 56.188 56.048 0.157 0.000 1.116 1062 H CB 0.774 30.609 29.762 0.121 0.000 1.560 1062 H HN 0.354 nan 8.280 nan 0.000 0.548 1063 G N 0.893 109.868 108.800 0.291 0.000 2.302 1063 G HA2 -0.332 3.630 3.960 0.004 0.000 0.263 1063 G HA3 -0.332 3.630 3.960 0.004 0.000 0.263 1063 G C -0.225 174.850 174.900 0.291 0.000 0.995 1063 G CA 0.633 45.861 45.100 0.212 0.000 0.622 1063 G HN 0.310 nan 8.290 nan 0.000 0.538 1064 Y N 1.015 121.379 120.300 0.107 0.000 2.453 1064 Y HA 0.627 5.179 4.550 0.003 0.000 0.326 1064 Y C 0.758 176.714 175.900 0.093 0.000 1.186 1064 Y CA -1.603 56.552 58.100 0.092 0.000 1.200 1064 Y CB 0.380 38.894 38.460 0.090 0.000 1.247 1064 Y HN 0.519 nan 8.280 nan 0.000 0.482 1065 Q N -0.126 119.833 119.800 0.265 0.000 2.432 1065 Q HA 0.218 4.560 4.340 0.004 0.000 0.264 1065 Q C 0.327 176.455 176.000 0.213 0.000 1.035 1065 Q CA 0.255 56.178 55.803 0.201 0.000 0.908 1065 Q CB 0.510 29.361 28.738 0.188 0.000 1.280 1065 Q HN 0.641 nan 8.270 nan 0.000 0.455 1066 S N 1.259 117.069 115.700 0.184 0.000 2.767 1066 S HA 0.281 4.753 4.470 0.004 0.000 0.253 1066 S C 0.022 174.735 174.600 0.189 0.000 1.082 1066 S CA -0.642 57.656 58.200 0.163 0.000 1.148 1066 S CB 0.087 63.362 63.200 0.124 0.000 0.808 1066 S HN 0.625 nan 8.310 nan 0.000 0.466 1067 R N 0.060 120.718 120.500 0.263 0.000 2.519 1067 R HA 0.350 4.692 4.340 0.004 0.000 0.375 1067 R C 1.108 177.523 176.300 0.192 0.000 0.926 1067 R CA -0.154 56.131 56.100 0.308 0.000 1.166 1067 R CB -0.168 30.445 30.300 0.521 0.000 1.626 1067 R HN 0.562 nan 8.270 nan 0.000 0.529 1068 G N 1.790 110.633 108.800 0.071 0.000 2.323 1068 G HA2 -0.307 3.655 3.960 0.004 0.000 0.292 1068 G HA3 -0.307 3.655 3.960 0.004 0.000 0.292 1068 G C -0.253 174.509 174.900 -0.230 0.000 1.040 1068 G CA 0.272 45.278 45.100 -0.157 0.000 0.942 1068 G HN 0.170 nan 8.290 nan 0.000 0.506 1069 F N 0.097 120.071 119.950 0.039 0.000 2.377 1069 F HA 0.645 5.174 4.527 0.004 0.000 0.328 1069 F C 0.920 176.761 175.800 0.070 0.000 1.094 1069 F CA -0.592 57.444 58.000 0.061 0.000 1.093 1069 F CB 1.110 40.168 39.000 0.096 0.000 1.214 1069 F HN 0.233 nan 8.300 nan 0.000 0.518 1070 E N 0.607 120.981 120.200 0.290 0.000 2.304 1070 E HA 0.350 4.702 4.350 0.004 0.000 0.277 1070 E C -1.514 175.118 176.600 0.053 0.000 0.898 1070 E CA -0.982 55.505 56.400 0.145 0.000 0.764 1070 E CB 2.464 32.216 29.700 0.086 0.000 1.216 1070 E HN 0.206 nan 8.360 nan 0.000 0.419 1071 V N 3.890 123.813 119.914 0.015 0.000 2.644 1071 V HA 0.003 4.125 4.120 0.004 0.000 0.305 1071 V C 0.320 176.336 176.094 -0.130 0.000 1.053 1071 V CA 0.972 63.232 62.300 -0.066 0.000 1.186 1071 V CB -0.316 31.461 31.823 -0.077 0.000 0.895 1071 V HN 0.672 nan 8.190 nan 0.000 0.490 1072 M N 4.313 123.769 119.600 -0.240 0.000 2.618 1072 M HA 0.552 5.034 4.480 0.004 0.000 0.281 1072 M C -1.762 174.252 176.300 -0.476 0.000 1.267 1072 M CA -0.683 54.477 55.300 -0.233 0.000 0.845 1072 M CB 2.867 35.358 32.600 -0.182 0.000 1.732 1072 M HN 0.485 nan 8.290 nan 0.000 0.461 1073 Y N 0.644 120.572 120.300 -0.619 0.000 2.409 1073 Y HA 0.347 4.899 4.550 0.004 0.000 0.343 1073 Y C 0.100 175.651 175.900 -0.582 0.000 0.973 1073 Y CA -1.543 56.119 58.100 -0.730 0.000 1.064 1073 Y CB 0.938 38.657 38.460 -1.235 0.000 1.207 1073 Y HN 0.531 nan 8.280 nan 0.000 0.452 1074 N N 1.247 119.890 118.700 -0.094 0.000 2.411 1074 N HA 0.134 4.876 4.740 0.004 0.000 0.259 1074 N C 0.593 176.191 175.510 0.147 0.000 1.103 1074 N CA -0.071 53.023 53.050 0.074 0.000 0.954 1074 N CB 1.459 39.961 38.487 0.025 0.000 1.085 1074 N HN 0.894 nan 8.380 nan 0.000 0.485 1075 G N 2.120 111.106 108.800 0.311 0.000 3.327 1075 G HA2 -0.058 3.904 3.960 0.004 0.000 0.240 1075 G HA3 -0.058 3.904 3.960 0.004 0.000 0.240 1075 G C 0.841 175.926 174.900 0.309 0.000 1.222 1075 G CA -0.153 45.209 45.100 0.436 0.000 0.871 1075 G HN 0.705 nan 8.290 nan 0.000 0.525 1076 H N -0.307 118.860 119.070 0.162 0.000 2.363 1076 H HA -0.005 4.553 4.556 0.003 0.000 0.301 1076 H C 2.245 177.617 175.328 0.073 0.000 1.074 1076 H CA 1.693 57.789 56.048 0.079 0.000 1.354 1076 H CB 0.251 30.022 29.762 0.016 0.000 1.397 1076 H HN 0.303 nan 8.280 nan 0.000 0.516 1077 T N -1.950 112.759 114.554 0.259 0.000 3.018 1077 T HA 0.248 4.600 4.350 0.004 0.000 0.246 1077 T C 1.435 176.217 174.700 0.138 0.000 1.026 1077 T CA 0.994 63.181 62.100 0.144 0.000 1.081 1077 T CB 0.342 69.268 68.868 0.097 0.000 0.970 1077 T HN 0.636 nan 8.240 nan 0.000 0.475 1078 G N 1.360 110.267 108.800 0.179 0.000 2.307 1078 G HA2 -0.179 3.783 3.960 0.004 0.000 0.210 1078 G HA3 -0.179 3.783 3.960 0.004 0.000 0.210 1078 G C 0.188 175.202 174.900 0.190 0.000 1.005 1078 G CA -0.069 45.149 45.100 0.198 0.000 0.634 1078 G HN 0.482 nan 8.290 nan 0.000 0.496 1079 K N 2.154 122.618 120.400 0.107 0.000 2.491 1079 K HA 0.301 4.623 4.320 0.004 0.000 0.279 1079 K C 0.852 177.425 176.600 -0.046 0.000 1.026 1079 K CA 0.175 56.492 56.287 0.050 0.000 1.070 1079 K CB 0.233 32.730 32.500 -0.005 0.000 0.887 1079 K HN 0.381 nan 8.250 nan 0.000 0.481 1080 K N 2.645 122.963 120.400 -0.137 0.000 2.542 1080 K HA -0.081 4.241 4.320 0.004 0.000 0.276 1080 K C 0.068 176.487 176.600 -0.300 0.000 0.963 1080 K CA 0.220 56.193 56.287 -0.523 0.000 0.975 1080 K CB 0.309 32.543 32.500 -0.443 0.000 0.901 1080 K HN 0.468 nan 8.250 nan 0.000 0.506 1081 L N 3.265 124.265 121.223 -0.373 0.000 2.326 1081 L HA 0.043 4.386 4.340 0.004 0.000 0.278 1081 L C 1.363 178.137 176.870 -0.160 0.000 1.092 1081 L CA -0.483 54.234 54.840 -0.204 0.000 0.810 1081 L CB 1.109 43.067 42.059 -0.168 0.000 1.153 1081 L HN 0.728 nan 8.230 nan 0.000 0.439 1082 M N 2.617 122.162 119.600 -0.092 0.000 2.346 1082 M HA -0.016 4.467 4.480 0.004 0.000 0.263 1082 M C 0.466 176.734 176.300 -0.053 0.000 1.064 1082 M CA 0.885 56.145 55.300 -0.067 0.000 1.083 1082 M CB -0.891 31.686 32.600 -0.039 0.000 1.399 1082 M HN 0.587 nan 8.290 nan 0.000 0.435 1083 A N -0.399 122.400 122.820 -0.034 0.000 2.401 1083 A HA 0.659 4.982 4.320 0.004 0.000 0.310 1083 A C -0.603 176.998 177.584 0.029 0.000 1.075 1083 A CA -0.736 51.305 52.037 0.005 0.000 0.746 1083 A CB 1.054 20.084 19.000 0.051 0.000 1.277 1083 A HN 0.298 nan 8.150 nan 0.000 0.425 1084 Q N 0.064 119.897 119.800 0.054 0.000 2.193 1084 Q HA 0.754 5.096 4.340 0.004 0.000 0.246 1084 Q C -0.749 175.457 176.000 0.344 0.000 0.959 1084 Q CA -0.037 55.847 55.803 0.135 0.000 0.904 1084 Q CB 1.457 30.240 28.738 0.076 0.000 1.238 1084 Q HN 0.661 nan 8.270 nan 0.000 0.469 1085 I N 0.108 120.883 120.570 0.342 0.000 2.797 1085 I HA 0.341 4.513 4.170 0.004 0.000 0.307 1085 I C -0.837 175.430 176.117 0.250 0.000 1.033 1085 I CA -1.027 60.462 61.300 0.314 0.000 1.071 1085 I CB 1.190 39.306 38.000 0.194 0.000 1.255 1085 I HN 0.452 nan 8.210 nan 0.000 0.445 1086 F N 4.439 124.404 119.950 0.025 0.000 2.472 1086 F HA 0.321 4.850 4.527 0.003 0.000 0.364 1086 F C -0.742 175.149 175.800 0.153 0.000 1.090 1086 F CA -0.004 57.926 58.000 -0.117 0.000 1.188 1086 F CB 0.158 39.046 39.000 -0.186 0.000 1.105 1086 F HN 0.093 nan 8.300 nan 0.000 0.536 1087 F N 4.500 124.031 119.950 -0.698 0.000 2.745 1087 F HA 0.645 5.174 4.527 0.003 0.000 0.343 1087 F C -0.252 175.342 175.800 -0.344 0.000 1.196 1087 F CA -0.915 56.898 58.000 -0.312 0.000 1.021 1087 F CB 1.250 40.162 39.000 -0.146 0.000 1.297 1087 F HN 0.523 nan 8.300 nan 0.000 0.486 1088 G N 4.466 112.918 108.800 -0.580 0.000 2.682 1088 G HA2 0.626 4.588 3.960 0.004 0.000 0.290 1088 G HA3 0.626 4.588 3.960 0.004 0.000 0.290 1088 G C -3.421 171.287 174.900 -0.321 0.000 1.425 1088 G CA -1.525 43.318 45.100 -0.429 0.000 0.807 1088 G HN 0.135 nan 8.290 nan 0.000 0.482 1089 P HA 0.517 nan 4.420 nan 0.000 0.277 1089 P C -0.599 176.670 177.300 -0.051 0.000 1.240 1089 P CA 0.071 63.086 63.100 -0.142 0.000 0.798 1089 P CB 1.503 33.147 31.700 -0.093 0.000 0.979 1090 T N 0.716 115.293 114.554 0.038 0.000 2.977 1090 T HA 0.251 4.603 4.350 0.004 0.000 0.345 1090 T C -1.839 173.061 174.700 0.332 0.000 1.562 1090 T CA -0.297 61.883 62.100 0.133 0.000 1.090 1090 T CB 0.802 69.772 68.868 0.171 0.000 1.383 1090 T HN 0.207 nan 8.240 nan 0.000 0.484 1091 Y N 2.095 122.489 120.300 0.156 0.000 2.328 1091 Y HA 0.677 5.230 4.550 0.004 0.000 0.336 1091 Y C -1.539 174.514 175.900 0.255 0.000 0.960 1091 Y CA -0.875 57.346 58.100 0.201 0.000 1.134 1091 Y CB 0.633 39.150 38.460 0.095 0.000 1.166 1091 Y HN 0.640 nan 8.280 nan 0.000 0.464 1092 Y N 3.137 123.461 120.300 0.040 0.000 2.496 1092 Y HA 0.426 4.978 4.550 0.004 0.000 0.331 1092 Y C -0.148 175.841 175.900 0.148 0.000 1.140 1092 Y CA -0.789 57.389 58.100 0.129 0.000 1.166 1092 Y CB 1.486 40.076 38.460 0.218 0.000 1.249 1092 Y HN 0.440 nan 8.280 nan 0.000 0.479 1093 Q N 2.152 122.110 119.800 0.263 0.000 2.278 1093 Q HA 0.326 4.668 4.340 0.004 0.000 0.257 1093 Q C -0.621 175.321 176.000 -0.098 0.000 0.928 1093 Q CA -0.797 55.081 55.803 0.126 0.000 0.932 1093 Q CB 1.900 30.675 28.738 0.062 0.000 1.221 1093 Q HN 0.478 nan 8.270 nan 0.000 0.434 1094 R N 3.805 124.215 120.500 -0.149 0.000 2.221 1094 R HA 0.350 4.692 4.340 0.004 0.000 0.327 1094 R C -0.766 175.267 176.300 -0.444 0.000 1.033 1094 R CA -0.167 55.591 56.100 -0.570 0.000 0.887 1094 R CB 0.327 30.335 30.300 -0.487 0.000 1.057 1094 R HN 0.529 nan 8.270 nan 0.000 0.455 1095 L N 3.793 124.679 121.223 -0.562 0.000 2.387 1095 L HA 0.541 4.883 4.340 0.004 0.000 0.266 1095 L C 0.730 177.360 176.870 -0.401 0.000 1.059 1095 L CA -1.245 53.375 54.840 -0.366 0.000 0.801 1095 L CB 1.040 42.923 42.059 -0.294 0.000 1.223 1095 L HN 0.690 nan 8.230 nan 0.000 0.456 1096 R N -0.501 119.676 120.500 -0.538 0.000 2.783 1096 R HA 0.255 4.597 4.340 0.004 0.000 0.276 1096 R C -0.918 175.030 176.300 -0.587 0.000 1.223 1096 R CA -0.104 55.688 56.100 -0.512 0.000 1.173 1096 R CB 0.205 29.999 30.300 -0.844 0.000 1.157 1096 R HN 0.682 nan 8.270 nan 0.000 0.600 1097 H N -1.297 117.657 119.070 -0.192 0.000 3.548 1097 H HA -0.034 4.524 4.556 0.003 0.000 0.373 1097 H C -1.350 173.895 175.328 -0.138 0.000 1.365 1097 H CA 0.438 56.390 56.048 -0.159 0.000 1.455 1097 H CB -1.923 27.748 29.762 -0.152 0.000 1.408 1097 H HN 0.621 nan 8.280 nan 0.000 0.472 1098 M N -0.983 118.602 119.600 -0.026 0.000 2.727 1098 M HA 0.555 5.037 4.480 0.004 0.000 0.300 1098 M C 1.507 177.801 176.300 -0.009 0.000 1.246 1098 M CA -1.043 54.238 55.300 -0.032 0.000 0.835 1098 M CB 1.429 33.982 32.600 -0.078 0.000 1.755 1098 M HN -0.101 nan 8.290 nan 0.000 0.473 1099 V N -0.149 119.767 119.914 0.002 0.000 2.453 1099 V HA -0.170 3.953 4.120 0.004 0.000 0.247 1099 V C 1.577 177.679 176.094 0.014 0.000 1.048 1099 V CA 1.846 64.154 62.300 0.013 0.000 1.049 1099 V CB -0.580 31.256 31.823 0.022 0.000 0.672 1099 V HN 0.945 nan 8.190 nan 0.000 0.457 1100 D N 0.100 120.506 120.400 0.009 0.000 2.263 1100 D HA -0.158 4.484 4.640 0.004 0.000 0.208 1100 D C 1.693 178.001 176.300 0.015 0.000 0.971 1100 D CA 0.901 54.910 54.000 0.015 0.000 0.867 1100 D CB -0.142 40.667 40.800 0.015 0.000 0.929 1100 D HN 0.367 nan 8.370 nan 0.000 0.492 1101 D N -0.590 119.808 120.400 -0.004 0.000 2.363 1101 D HA -0.032 4.610 4.640 0.004 0.000 0.220 1101 D C 1.633 177.944 176.300 0.017 0.000 0.994 1101 D CA 0.474 54.472 54.000 -0.003 0.000 0.890 1101 D CB 0.341 41.114 40.800 -0.045 0.000 0.906 1101 D HN 0.220 nan 8.370 nan 0.000 0.530 1102 K N -0.042 120.374 120.400 0.026 0.000 2.370 1102 K HA 0.123 4.446 4.320 0.004 0.000 0.194 1102 K C 0.656 177.301 176.600 0.074 0.000 1.070 1102 K CA -0.043 56.268 56.287 0.040 0.000 0.998 1102 K CB 1.227 33.742 32.500 0.026 0.000 0.911 1102 K HN 0.065 nan 8.250 nan 0.000 0.533 1103 I N 3.173 123.784 120.570 0.069 0.000 2.967 1103 I HA 0.027 4.199 4.170 0.004 0.000 0.284 1103 I C 0.713 176.903 176.117 0.122 0.000 1.145 1103 I CA -0.606 60.738 61.300 0.073 0.000 1.704 1103 I CB -2.502 35.525 38.000 0.045 0.000 1.385 1103 I HN 0.093 nan 8.210 nan 0.000 0.673 1104 H N 2.685 121.760 119.070 0.008 0.000 2.871 1104 H HA 0.526 5.083 4.556 0.003 0.000 0.377 1104 H C -0.246 175.087 175.328 0.008 0.000 1.307 1104 H CA 0.043 56.097 56.048 0.009 0.000 1.449 1104 H CB 0.800 30.568 29.762 0.010 0.000 1.452 1104 H HN 0.532 nan 8.280 nan 0.000 0.619 1105 A N 2.743 125.316 122.820 -0.411 0.000 2.586 1105 A HA 0.553 4.875 4.320 0.004 0.000 0.296 1105 A C -1.059 176.389 177.584 -0.226 0.000 1.040 1105 A CA -0.370 51.443 52.037 -0.374 0.000 0.701 1105 A CB 1.029 19.959 19.000 -0.116 0.000 1.277 1105 A HN 1.023 nan 8.150 nan 0.000 0.413 1106 R N 0.592 120.977 120.500 -0.191 0.000 2.734 1106 R HA 0.826 5.169 4.340 0.004 0.000 0.271 1106 R C -1.265 175.009 176.300 -0.043 0.000 1.021 1106 R CA -0.004 56.069 56.100 -0.045 0.000 0.893 1106 R CB 1.785 32.089 30.300 0.008 0.000 1.244 1106 R HN 2.049 nan 8.270 nan 0.000 0.464 1107 A N 2.791 125.607 122.820 -0.007 0.000 3.455 1107 A HA 0.344 4.666 4.320 0.004 0.000 0.225 1107 A C -0.696 176.886 177.584 -0.003 0.000 1.052 1107 A CA -0.041 51.987 52.037 -0.014 0.000 1.005 1107 A CB 0.242 19.236 19.000 -0.009 0.000 1.318 1107 A HN 0.919 nan 8.150 nan 0.000 0.639 1108 R N -0.570 119.930 120.500 0.000 0.000 1.108 1108 R HA 0.043 4.386 4.340 0.004 0.000 0.425 1108 R C -0.230 176.081 176.300 0.019 0.000 1.347 1108 R CA 1.077 57.181 56.100 0.006 0.000 1.080 1108 R CB -1.084 29.218 30.300 0.002 0.000 3.248 1108 R HN 2.106 nan 8.270 nan 0.000 0.507 1109 G N 3.863 112.676 108.800 0.023 0.000 2.494 1109 G HA2 0.583 4.545 3.960 0.004 0.000 0.308 1109 G HA3 0.583 4.545 3.960 0.004 0.000 0.308 1109 G C -2.930 171.987 174.900 0.029 0.000 1.263 1109 G CA -0.340 44.780 45.100 0.034 0.000 0.840 1109 G HN 0.553 nan 8.290 nan 0.000 0.479 1110 P HA 0.312 nan 4.420 nan 0.000 0.271 1110 P C -0.448 176.856 177.300 0.006 0.000 1.238 1110 P CA 0.289 63.402 63.100 0.021 0.000 0.794 1110 P CB 0.705 32.421 31.700 0.026 0.000 0.959 1111 M N -0.477 119.117 119.600 -0.011 0.000 2.719 1111 M HA 0.287 4.769 4.480 0.004 0.000 0.291 1111 M C 0.551 176.836 176.300 -0.025 0.000 1.264 1111 M CA -0.957 54.331 55.300 -0.020 0.000 0.811 1111 M CB 1.918 34.494 32.600 -0.040 0.000 1.756 1111 M HN 0.319 nan 8.290 nan 0.000 0.464 1112 Q N -0.083 119.702 119.800 -0.025 0.000 2.414 1112 Q HA 0.272 4.614 4.340 0.004 0.000 0.206 1112 Q C 0.917 176.887 176.000 -0.050 0.000 1.058 1112 Q CA -0.562 55.228 55.803 -0.022 0.000 1.025 1112 Q CB 0.554 29.290 28.738 -0.005 0.000 1.196 1112 Q HN 0.600 nan 8.270 nan 0.000 0.586 1113 V N -1.718 118.171 119.914 -0.041 0.000 2.949 1113 V HA -0.062 4.060 4.120 0.004 0.000 0.245 1113 V C 1.515 177.571 176.094 -0.063 0.000 1.086 1113 V CA 0.374 62.638 62.300 -0.060 0.000 1.097 1113 V CB -0.556 31.247 31.823 -0.034 0.000 0.762 1113 V HN 0.541 nan 8.190 nan 0.000 0.470 1114 L N 1.619 122.832 121.223 -0.016 0.000 1.893 1114 L HA 0.008 4.350 4.340 0.004 0.000 0.218 1114 L C 2.529 179.463 176.870 0.106 0.000 1.124 1114 L CA 2.818 57.680 54.840 0.037 0.000 0.850 1114 L CB -1.478 40.606 42.059 0.042 0.000 0.904 1114 L HN 0.351 nan 8.230 nan 0.000 0.462 1115 T N 1.251 115.882 114.554 0.128 0.000 2.858 1115 T HA -0.291 4.061 4.350 0.004 0.000 0.263 1115 T C 0.844 175.577 174.700 0.055 0.000 1.072 1115 T CA 1.388 63.599 62.100 0.185 0.000 1.141 1115 T CB -0.589 68.327 68.868 0.079 0.000 0.821 1115 T HN 0.493 nan 8.240 nan 0.000 0.517 1116 R N 0.204 120.622 120.500 -0.137 0.000 3.863 1116 R HA -0.181 4.161 4.340 0.004 0.000 0.313 1116 R C -0.161 176.103 176.300 -0.059 0.000 1.202 1116 R CA 0.765 56.749 56.100 -0.193 0.000 0.852 1116 R CB -2.374 27.674 30.300 -0.421 0.000 1.292 1116 R HN 0.567 nan 8.270 nan 0.000 0.519 1117 Q N 0.834 120.629 119.800 -0.007 0.000 2.212 1117 Q HA 0.387 4.730 4.340 0.004 0.000 0.238 1117 Q C -2.181 173.821 176.000 0.005 0.000 0.955 1117 Q CA -2.170 53.639 55.803 0.009 0.000 0.906 1117 Q CB 0.890 29.645 28.738 0.029 0.000 1.215 1117 Q HN -0.086 nan 8.270 nan 0.000 0.478 1118 P HA -0.071 nan 4.420 nan 0.000 0.269 1118 P C -0.511 176.804 177.300 0.024 0.000 1.217 1118 P CA -0.150 62.961 63.100 0.019 0.000 0.783 1118 P CB 0.319 32.036 31.700 0.029 0.000 0.898 1119 V N -0.724 119.205 119.914 0.025 0.000 3.214 1119 V HA 0.327 4.450 4.120 0.004 0.000 0.306 1119 V C 0.143 176.254 176.094 0.029 0.000 1.078 1119 V CA -0.619 61.695 62.300 0.023 0.000 1.077 1119 V CB 0.628 32.462 31.823 0.018 0.000 1.121 1119 V HN 0.652 nan 8.190 nan 0.000 0.468 1120 E N 1.881 122.094 120.200 0.022 0.000 2.283 1120 E HA 0.636 4.989 4.350 0.004 0.000 0.278 1120 E C -0.097 176.509 176.600 0.009 0.000 1.027 1120 E CA 0.042 56.457 56.400 0.025 0.000 0.843 1120 E CB 0.964 30.675 29.700 0.020 0.000 1.062 1120 E HN 1.869 nan 8.360 nan 0.000 0.401 1121 G N 2.933 111.735 108.800 0.004 0.000 2.521 1121 G HA2 -0.117 3.845 3.960 0.004 0.000 0.589 1121 G HA3 -0.117 3.845 3.960 0.004 0.000 0.589 1121 G C 0.015 174.814 174.900 -0.168 0.000 1.501 1121 G CA -0.297 44.773 45.100 -0.049 0.000 0.887 1121 G HN 0.703 nan 8.290 nan 0.000 0.654 1122 R N 0.098 120.448 120.500 -0.249 0.000 2.275 1122 R HA 0.102 4.444 4.340 0.004 0.000 0.199 1122 R C 2.169 178.258 176.300 -0.351 0.000 0.989 1122 R CA 1.604 57.335 56.100 -0.614 0.000 1.016 1122 R CB -0.197 29.682 30.300 -0.702 0.000 0.918 1122 R HN 0.521 nan 8.270 nan 0.000 0.473 1123 S N 1.777 117.366 115.700 -0.184 0.000 2.383 1123 S HA -0.144 4.328 4.470 0.004 0.000 0.229 1123 S C 1.069 175.632 174.600 -0.062 0.000 1.030 1123 S CA 1.204 59.352 58.200 -0.086 0.000 1.002 1123 S CB -0.138 63.030 63.200 -0.054 0.000 0.829 1123 S HN 0.496 nan 8.310 nan 0.000 0.467 1124 R N 0.758 121.216 120.500 -0.071 0.000 2.629 1124 R HA 0.465 4.807 4.340 0.004 0.000 0.386 1124 R C -0.582 175.701 176.300 -0.027 0.000 1.071 1124 R CA 0.138 56.219 56.100 -0.031 0.000 1.104 1124 R CB -0.966 29.333 30.300 -0.002 0.000 1.370 1124 R HN 0.182 nan 8.270 nan 0.000 0.574 1125 D N -0.428 119.921 120.400 -0.084 0.000 2.767 1125 D HA -0.114 4.528 4.640 0.004 0.000 0.239 1125 D C 0.523 176.878 176.300 0.092 0.000 1.103 1125 D CA 1.044 55.058 54.000 0.023 0.000 0.710 1125 D CB -0.957 39.867 40.800 0.040 0.000 1.084 1125 D HN 0.456 nan 8.370 nan 0.000 0.435 1126 G N -0.595 108.245 108.800 0.068 0.000 2.447 1126 G HA2 0.569 4.531 3.960 0.004 0.000 0.269 1126 G HA3 0.569 4.531 3.960 0.004 0.000 0.269 1126 G C 0.707 175.735 174.900 0.214 0.000 1.455 1126 G CA 0.018 45.194 45.100 0.126 0.000 1.061 1126 G HN 0.616 nan 8.290 nan 0.000 0.545 1127 G N -2.239 106.662 108.800 0.169 0.000 2.816 1127 G HA2 0.597 4.559 3.960 0.004 0.000 0.288 1127 G HA3 0.597 4.559 3.960 0.004 0.000 0.288 1127 G C -1.262 173.704 174.900 0.110 0.000 1.334 1127 G CA -0.832 44.328 45.100 0.100 0.000 0.978 1127 G HN 0.530 nan 8.290 nan 0.000 0.493 1128 L N -0.679 120.579 121.223 0.059 0.000 2.286 1128 L HA 0.676 5.018 4.340 0.004 0.000 0.265 1128 L C 0.363 177.281 176.870 0.081 0.000 1.012 1128 L CA -1.037 53.842 54.840 0.065 0.000 0.818 1128 L CB 2.242 44.320 42.059 0.030 0.000 1.337 1128 L HN 0.543 nan 8.230 nan 0.000 0.438 1129 R N 0.468 121.020 120.500 0.086 0.000 2.407 1129 R HA 0.343 4.685 4.340 0.004 0.000 0.303 1129 R C -1.418 174.980 176.300 0.163 0.000 0.981 1129 R CA -0.469 55.692 56.100 0.101 0.000 0.905 1129 R CB 0.997 31.332 30.300 0.059 0.000 1.099 1129 R HN 0.445 nan 8.270 nan 0.000 0.459 1130 F N 4.442 124.390 119.950 -0.004 0.000 2.318 1130 F HA 0.429 4.959 4.527 0.004 0.000 0.356 1130 F C 0.140 175.937 175.800 -0.005 0.000 1.109 1130 F CA -0.928 57.069 58.000 -0.005 0.000 1.234 1130 F CB 0.569 39.561 39.000 -0.014 0.000 1.545 1130 F HN 0.690 nan 8.300 nan 0.000 0.534 1131 G N 3.451 112.169 108.800 -0.138 0.000 2.432 1131 G HA2 0.010 3.972 3.960 0.004 0.000 0.239 1131 G HA3 0.010 3.972 3.960 0.004 0.000 0.239 1131 G C 0.890 175.580 174.900 -0.350 0.000 1.291 1131 G CA -0.111 44.868 45.100 -0.202 0.000 0.863 1131 G HN 0.731 nan 8.290 nan 0.000 0.560 1132 E N 0.877 120.951 120.200 -0.210 0.000 2.689 1132 E HA -0.419 3.933 4.350 0.004 0.000 0.247 1132 E C 2.139 178.625 176.600 -0.190 0.000 1.031 1132 E CA 2.517 58.824 56.400 -0.155 0.000 1.400 1132 E CB -0.155 29.491 29.700 -0.090 0.000 1.296 1132 E HN 0.688 nan 8.360 nan 0.000 0.475 1133 M N -0.052 119.445 119.600 -0.171 0.000 2.159 1133 M HA -0.194 4.288 4.480 0.004 0.000 0.263 1133 M C 1.729 177.893 176.300 -0.226 0.000 1.063 1133 M CA 1.685 56.891 55.300 -0.158 0.000 1.110 1133 M CB 0.088 32.622 32.600 -0.111 0.000 1.374 1133 M HN 0.007 nan 8.290 nan 0.000 0.411 1134 E N -0.315 119.651 120.200 -0.390 0.000 2.152 1134 E HA -0.115 4.237 4.350 0.004 0.000 0.192 1134 E C 1.801 178.084 176.600 -0.530 0.000 0.983 1134 E CA 0.786 56.907 56.400 -0.465 0.000 0.818 1134 E CB -0.403 29.047 29.700 -0.416 0.000 0.758 1134 E HN 0.407 nan 8.360 nan 0.000 0.467 1135 R N 0.868 120.960 120.500 -0.679 0.000 2.162 1135 R HA -0.242 4.101 4.340 0.004 0.000 0.245 1135 R C 1.534 177.775 176.300 -0.098 0.000 1.129 1135 R CA 2.155 58.092 56.100 -0.271 0.000 0.940 1135 R CB -0.279 29.919 30.300 -0.170 0.000 0.875 1135 R HN 0.193 nan 8.270 nan 0.000 0.437 1136 D N -0.144 120.187 120.400 -0.115 0.000 2.137 1136 D HA -0.220 4.422 4.640 0.004 0.000 0.189 1136 D C 2.003 178.286 176.300 -0.028 0.000 0.998 1136 D CA 1.759 55.727 54.000 -0.053 0.000 0.839 1136 D CB -0.804 39.962 40.800 -0.058 0.000 0.962 1136 D HN 0.385 nan 8.370 nan 0.000 0.446 1137 C N 0.679 119.944 119.300 -0.060 0.000 2.403 1137 C HA -0.155 4.307 4.460 0.004 0.000 0.277 1137 C C 2.712 177.650 174.990 -0.085 0.000 1.248 1137 C CA 0.481 59.454 59.018 -0.074 0.000 1.762 1137 C CB -0.775 26.878 27.740 -0.144 0.000 2.014 1137 C HN 0.352 nan 8.230 nan 0.000 0.486 1138 M N 0.487 120.087 119.600 0.001 0.000 2.159 1138 M HA -0.033 4.450 4.480 0.004 0.000 0.263 1138 M C 1.933 178.300 176.300 0.111 0.000 1.063 1138 M CA 1.442 56.788 55.300 0.076 0.000 1.110 1138 M CB -1.191 31.600 32.600 0.319 0.000 1.374 1138 M HN 0.380 nan 8.290 nan 0.000 0.411 1139 I N -0.088 120.537 120.570 0.091 0.000 2.202 1139 I HA -0.235 3.937 4.170 0.004 0.000 0.242 1139 I C 2.523 178.702 176.117 0.104 0.000 1.091 1139 I CA 0.993 62.348 61.300 0.091 0.000 1.368 1139 I CB -0.830 37.206 38.000 0.059 0.000 1.058 1139 I HN 0.228 nan 8.210 nan 0.000 0.410 1140 A N 0.509 123.391 122.820 0.104 0.000 1.984 1140 A HA -0.360 3.962 4.320 0.004 0.000 0.224 1140 A C 2.099 179.794 177.584 0.186 0.000 1.256 1140 A CA 2.703 54.834 52.037 0.155 0.000 0.679 1140 A CB -1.140 18.030 19.000 0.285 0.000 0.829 1140 A HN 0.517 nan 8.150 nan 0.000 0.483 1141 H N -2.648 116.434 119.070 0.020 0.000 2.547 1141 H HA 0.333 4.891 4.556 0.004 0.000 0.272 1141 H C 1.701 177.034 175.328 0.008 0.000 0.971 1141 H CA 1.020 57.071 56.048 0.006 0.000 1.245 1141 H CB 0.315 30.075 29.762 -0.003 0.000 1.440 1141 H HN 0.749 nan 8.280 nan 0.000 0.540 1142 G N -0.425 108.471 108.800 0.160 0.000 2.175 1142 G HA2 -0.247 3.715 3.960 0.004 0.000 0.244 1142 G HA3 -0.247 3.715 3.960 0.004 0.000 0.244 1142 G C 0.715 175.680 174.900 0.107 0.000 0.982 1142 G CA 0.215 45.374 45.100 0.097 0.000 0.641 1142 G HN 0.638 nan 8.290 nan 0.000 0.527 1143 A N 0.594 123.503 122.820 0.147 0.000 3.048 1143 A HA 0.778 5.101 4.320 0.004 0.000 0.264 1143 A C 2.012 179.701 177.584 0.175 0.000 1.796 1143 A CA 1.175 53.296 52.037 0.141 0.000 1.445 1143 A CB -0.778 18.285 19.000 0.105 0.000 1.074 1143 A HN 1.986 nan 8.150 nan 0.000 0.621 1144 A N 1.292 124.188 122.820 0.127 0.000 1.883 1144 A HA -0.290 4.032 4.320 0.004 0.000 0.226 1144 A C 2.499 180.165 177.584 0.136 0.000 1.512 1144 A CA 2.641 54.751 52.037 0.122 0.000 0.738 1144 A CB -1.299 17.753 19.000 0.086 0.000 0.848 1144 A HN 0.693 nan 8.150 nan 0.000 0.477 1145 S N -2.044 113.734 115.700 0.130 0.000 2.419 1145 S HA -0.108 4.364 4.470 0.004 0.000 0.235 1145 S C 1.529 176.185 174.600 0.093 0.000 1.019 1145 S CA 1.591 59.846 58.200 0.091 0.000 0.982 1145 S CB -0.483 62.768 63.200 0.084 0.000 0.789 1145 S HN 0.608 nan 8.310 nan 0.000 0.490 1146 F N 1.191 121.144 119.950 0.006 0.000 2.220 1146 F HA 0.191 4.720 4.527 0.003 0.000 0.290 1146 F C 1.738 177.525 175.800 -0.022 0.000 1.080 1146 F CA 0.626 58.618 58.000 -0.014 0.000 1.318 1146 F CB -0.347 38.648 39.000 -0.009 0.000 1.063 1146 F HN 0.042 nan 8.300 nan 0.000 0.498 1147 L N 0.948 122.230 121.223 0.098 0.000 2.151 1147 L HA -0.323 4.020 4.340 0.004 0.000 0.215 1147 L C 2.575 179.376 176.870 -0.115 0.000 1.084 1147 L CA 2.032 56.868 54.840 -0.007 0.000 0.764 1147 L CB -0.510 41.611 42.059 0.102 0.000 0.891 1147 L HN 0.267 nan 8.230 nan 0.000 0.435 1148 K N -0.343 120.003 120.400 -0.091 0.000 2.067 1148 K HA -0.184 4.138 4.320 0.004 0.000 0.203 1148 K C 1.974 178.490 176.600 -0.139 0.000 1.048 1148 K CA 0.976 57.217 56.287 -0.076 0.000 0.954 1148 K CB -0.038 32.437 32.500 -0.041 0.000 0.737 1148 K HN 0.244 nan 8.250 nan 0.000 0.444 1149 E N 0.770 120.855 120.200 -0.191 0.000 2.035 1149 E HA -0.244 4.108 4.350 0.004 0.000 0.204 1149 E C 2.055 178.465 176.600 -0.317 0.000 1.025 1149 E CA 1.426 57.686 56.400 -0.232 0.000 0.835 1149 E CB 0.069 29.632 29.700 -0.229 0.000 0.764 1149 E HN 0.225 nan 8.360 nan 0.000 0.457 1150 R N -0.165 120.001 120.500 -0.556 0.000 2.127 1150 R HA -0.143 4.199 4.340 0.004 0.000 0.238 1150 R C 2.117 178.251 176.300 -0.277 0.000 1.134 1150 R CA 0.700 56.482 56.100 -0.530 0.000 0.975 1150 R CB -0.361 29.397 30.300 -0.903 0.000 0.865 1150 R HN 0.218 nan 8.270 nan 0.000 0.447 1151 L N -0.502 120.624 121.223 -0.162 0.000 2.592 1151 L HA 0.169 4.512 4.340 0.004 0.000 0.227 1151 L C 1.687 178.540 176.870 -0.028 0.000 1.127 1151 L CA 0.879 55.695 54.840 -0.039 0.000 0.884 1151 L CB 0.138 42.208 42.059 0.019 0.000 1.065 1151 L HN 0.108 nan 8.230 nan 0.000 0.457 1152 M N -2.584 116.980 119.600 -0.060 0.000 2.102 1152 M HA 0.088 4.570 4.480 0.004 0.000 0.199 1152 M C 1.493 177.773 176.300 -0.033 0.000 1.558 1152 M CA 0.463 55.745 55.300 -0.029 0.000 0.982 1152 M CB 0.462 33.041 32.600 -0.035 0.000 1.521 1152 M HN 0.009 nan 8.290 nan 0.000 0.571 1153 E N 1.766 121.925 120.200 -0.069 0.000 2.051 1153 E HA 0.195 4.547 4.350 0.004 0.000 0.189 1153 E C 1.115 177.686 176.600 -0.048 0.000 0.979 1153 E CA 0.806 57.177 56.400 -0.047 0.000 0.803 1153 E CB -0.222 29.451 29.700 -0.046 0.000 0.761 1153 E HN 0.402 nan 8.360 nan 0.000 0.451 1154 A N 1.184 123.954 122.820 -0.083 0.000 2.281 1154 A HA 0.415 4.737 4.320 0.004 0.000 0.271 1154 A C 0.748 178.307 177.584 -0.042 0.000 1.196 1154 A CA 0.188 52.188 52.037 -0.061 0.000 0.807 1154 A CB -0.163 18.787 19.000 -0.084 0.000 1.138 1154 A HN 0.378 nan 8.150 nan 0.000 0.506 1155 S N -0.879 114.808 115.700 -0.022 0.000 3.085 1155 S HA -0.201 4.271 4.470 0.004 0.000 0.635 1155 S C -0.174 174.442 174.600 0.026 0.000 2.922 1155 S CA 0.949 59.152 58.200 0.004 0.000 3.129 1155 S CB -2.044 61.164 63.200 0.012 0.000 0.332 1155 S HN 1.045 nan 8.310 nan 0.000 1.789 1156 D N 2.206 122.637 120.400 0.051 0.000 2.703 1156 D HA 0.408 5.050 4.640 0.004 0.000 0.225 1156 D C 0.305 176.688 176.300 0.138 0.000 1.119 1156 D CA 1.859 55.920 54.000 0.102 0.000 0.845 1156 D CB 0.118 41.002 40.800 0.140 0.000 1.182 1156 D HN 1.213 nan 8.370 nan 0.000 0.493 1157 A N 1.734 124.682 122.820 0.213 0.000 2.599 1157 A HA 0.631 4.953 4.320 0.004 0.000 0.294 1157 A C -1.642 176.188 177.584 0.409 0.000 1.055 1157 A CA -0.749 51.438 52.037 0.250 0.000 0.683 1157 A CB 1.853 20.946 19.000 0.154 0.000 1.278 1157 A HN 0.346 nan 8.150 nan 0.000 0.412 1158 F N 1.226 121.319 119.950 0.238 0.000 2.662 1158 F HA 0.516 5.045 4.527 0.004 0.000 0.319 1158 F C -1.265 174.591 175.800 0.093 0.000 1.079 1158 F CA -0.537 57.566 58.000 0.171 0.000 1.062 1158 F CB 1.020 40.168 39.000 0.245 0.000 1.299 1158 F HN 0.773 nan 8.300 nan 0.000 0.487 1159 R N 5.328 125.373 120.500 -0.759 0.000 2.368 1159 R HA 0.833 5.175 4.340 0.004 0.000 0.302 1159 R C -1.915 173.607 176.300 -1.297 0.000 1.002 1159 R CA -0.273 55.246 56.100 -0.967 0.000 0.929 1159 R CB 1.573 31.448 30.300 -0.709 0.000 1.073 1159 R HN 0.570 nan 8.270 nan 0.000 0.464 1160 V N 4.118 123.543 119.914 -0.816 0.000 3.040 1160 V HA 0.416 4.538 4.120 0.004 0.000 0.312 1160 V C -0.461 175.423 176.094 -0.350 0.000 1.115 1160 V CA -0.973 60.936 62.300 -0.652 0.000 0.998 1160 V CB 2.236 33.841 31.823 -0.364 0.000 1.042 1160 V HN 0.807 nan 8.190 nan 0.000 0.433 1161 H N 3.118 122.148 119.070 -0.065 0.000 2.525 1161 H HA 0.708 5.266 4.556 0.004 0.000 0.340 1161 H C -0.863 174.483 175.328 0.030 0.000 1.168 1161 H CA -0.787 55.265 56.048 0.006 0.000 1.247 1161 H CB 2.317 32.113 29.762 0.057 0.000 1.568 1161 H HN 0.304 nan 8.280 nan 0.000 0.536 1162 I N 0.561 121.263 120.570 0.220 0.000 2.918 1162 I HA -0.020 4.152 4.170 0.004 0.000 0.301 1162 I C -0.103 176.070 176.117 0.093 0.000 1.312 1162 I CA -0.505 60.871 61.300 0.126 0.000 1.007 1162 I CB 2.606 40.664 38.000 0.096 0.000 1.281 1162 I HN 0.632 nan 8.210 nan 0.000 0.440 1163 C N 4.054 123.384 119.300 0.049 0.000 2.638 1163 C HA 0.218 4.680 4.460 0.004 0.000 0.410 1163 C C 1.860 176.846 174.990 -0.006 0.000 1.404 1163 C CA 0.366 59.396 59.018 0.019 0.000 1.651 1163 C CB -0.525 27.213 27.740 -0.003 0.000 2.495 1163 C HN 0.988 nan 8.230 nan 0.000 0.606 1164 G N 4.906 113.744 108.800 0.064 0.000 2.708 1164 G HA2 -0.025 3.937 3.960 0.004 0.000 0.210 1164 G HA3 -0.025 3.937 3.960 0.004 0.000 0.210 1164 G C 1.067 175.873 174.900 -0.158 0.000 1.141 1164 G CA 0.550 45.691 45.100 0.068 0.000 0.788 1164 G HN 0.745 nan 8.290 nan 0.000 0.531 1165 I N -0.344 120.134 120.570 -0.153 0.000 4.021 1165 I HA 0.123 4.295 4.170 0.004 0.000 0.245 1165 I C 1.276 177.294 176.117 -0.165 0.000 1.093 1165 I CA 0.303 61.513 61.300 -0.150 0.000 1.702 1165 I CB 0.094 38.064 38.000 -0.050 0.000 1.597 1165 I HN 0.153 nan 8.210 nan 0.000 0.443 1166 c N 2.901 121.465 118.600 -0.060 0.000 2.700 1166 c HA 0.594 5.166 4.570 0.004 0.000 0.529 1166 c C 1.343 175.447 174.090 0.023 0.000 1.093 1166 c CA -0.911 55.427 56.329 0.015 0.000 1.320 1166 c CB -1.660 40.859 42.510 0.015 0.000 1.478 1166 c HN 0.606 nan 8.230 nan 0.000 0.598 1167 G N 2.894 111.728 108.800 0.056 0.000 2.262 1167 G HA2 0.092 4.055 3.960 0.004 0.000 0.290 1167 G HA3 0.092 4.055 3.960 0.004 0.000 0.290 1167 G C -0.260 174.636 174.900 -0.006 0.000 0.553 1167 G CA 0.520 45.622 45.100 0.003 0.000 2.010 1167 G HN 0.873 nan 8.290 nan 0.000 0.519 1168 L N 0.264 121.483 121.223 -0.007 0.000 2.409 1168 L HA 0.360 4.702 4.340 0.004 0.000 0.262 1168 L C 0.877 177.772 176.870 0.042 0.000 0.992 1168 L CA -1.081 53.766 54.840 0.012 0.000 0.817 1168 L CB 2.123 44.192 42.059 0.016 0.000 1.350 1168 L HN 0.178 nan 8.230 nan 0.000 0.411 1169 M N 1.943 121.573 119.600 0.051 0.000 3.520 1169 M HA 0.035 4.517 4.480 0.004 0.000 0.188 1169 M C 0.045 176.395 176.300 0.083 0.000 1.400 1169 M CA 0.372 55.721 55.300 0.081 0.000 1.553 1169 M CB -0.653 32.005 32.600 0.096 0.000 1.333 1169 M HN 0.534 nan 8.290 nan 0.000 0.452 1170 T N -0.799 113.802 114.554 0.078 0.000 3.174 1170 T HA 0.215 4.567 4.350 0.004 0.000 0.269 1170 T C 0.596 175.353 174.700 0.096 0.000 1.017 1170 T CA -0.197 61.948 62.100 0.075 0.000 0.899 1170 T CB 0.144 69.046 68.868 0.056 0.000 1.077 1170 T HN 0.180 nan 8.240 nan 0.000 0.552 1171 V N 0.498 120.488 119.914 0.126 0.000 3.513 1171 V HA 0.580 4.702 4.120 0.004 0.000 0.297 1171 V C 0.118 176.327 176.094 0.192 0.000 1.058 1171 V CA -0.994 61.406 62.300 0.167 0.000 1.003 1171 V CB 1.353 33.294 31.823 0.196 0.000 1.236 1171 V HN 0.200 nan 8.190 nan 0.000 0.436 1172 I N 0.632 121.351 120.570 0.248 0.000 2.700 1172 I HA 0.341 4.513 4.170 0.004 0.000 0.272 1172 I C 0.282 176.519 176.117 0.201 0.000 1.293 1172 I CA -0.390 61.035 61.300 0.209 0.000 0.989 1172 I CB 1.139 39.226 38.000 0.145 0.000 1.301 1172 I HN 0.717 nan 8.210 nan 0.000 0.525 1173 A N 5.846 128.813 122.820 0.244 0.000 3.017 1173 A HA 0.092 4.415 4.320 0.004 0.000 0.283 1173 A C 0.594 178.165 177.584 -0.021 0.000 1.892 1173 A CA 0.181 52.309 52.037 0.151 0.000 1.469 1173 A CB -0.744 18.429 19.000 0.288 0.000 0.999 1173 A HN 0.595 nan 8.150 nan 0.000 0.605 1174 K N 2.756 123.071 120.400 -0.142 0.000 2.758 1174 K HA 0.261 4.583 4.320 0.004 0.000 0.250 1174 K C -0.303 176.158 176.600 -0.231 0.000 1.268 1174 K CA -0.280 55.961 56.287 -0.077 0.000 1.228 1174 K CB 0.169 32.675 32.500 0.010 0.000 1.715 1174 K HN 0.610 nan 8.250 nan 0.000 0.334 1175 L N 2.121 123.202 121.223 -0.237 0.000 2.559 1175 L HA -0.204 4.138 4.340 0.004 0.000 0.282 1175 L C 0.755 177.447 176.870 -0.297 0.000 1.232 1175 L CA 0.962 55.638 54.840 -0.272 0.000 0.885 1175 L CB 0.085 42.084 42.059 -0.099 0.000 1.131 1175 L HN 0.793 nan 8.230 nan 0.000 0.498 1176 N N 0.038 118.575 118.700 -0.271 0.000 2.239 1176 N HA -0.188 4.554 4.740 0.004 0.000 0.210 1176 N C 0.348 175.709 175.510 -0.249 0.000 1.654 1176 N CA 0.994 53.848 53.050 -0.327 0.000 3.612 1176 N CB -0.667 37.409 38.487 -0.685 0.000 1.335 1176 N HN 0.722 nan 8.380 nan 0.000 0.983 1177 H N 2.021 121.017 119.070 -0.122 0.000 2.713 1177 H HA 0.311 4.869 4.556 0.004 0.000 0.294 1177 H C -0.002 175.211 175.328 -0.192 0.000 1.366 1177 H CA -0.228 55.750 56.048 -0.117 0.000 1.139 1177 H CB -1.320 28.389 29.762 -0.089 0.000 1.487 1177 H HN 0.307 nan 8.280 nan 0.000 0.504 1178 N N 2.366 120.973 118.700 -0.156 0.000 2.942 1178 N HA -0.206 4.537 4.740 0.004 0.000 0.284 1178 N C -0.436 174.939 175.510 -0.225 0.000 1.019 1178 N CA 1.005 53.938 53.050 -0.195 0.000 0.879 1178 N CB -0.192 38.278 38.487 -0.028 0.000 0.917 1178 N HN 0.663 nan 8.380 nan 0.000 0.606 1179 Q N -0.621 118.875 119.800 -0.507 0.000 2.353 1179 Q HA 0.420 4.763 4.340 0.004 0.000 0.268 1179 Q C 0.070 175.749 176.000 -0.537 0.000 1.045 1179 Q CA -0.541 55.072 55.803 -0.315 0.000 0.811 1179 Q CB 1.523 30.205 28.738 -0.093 0.000 1.305 1179 Q HN 0.249 nan 8.270 nan 0.000 0.447 1180 F N 0.127 120.060 119.950 -0.028 0.000 2.083 1180 F HA 0.107 4.636 4.527 0.004 0.000 0.259 1180 F C -0.179 175.603 175.800 -0.029 0.000 0.953 1180 F CA -0.558 57.411 58.000 -0.052 0.000 1.156 1180 F CB 0.907 39.853 39.000 -0.089 0.000 1.297 1180 F HN 0.498 nan 8.300 nan 0.000 0.733 1181 E N 0.826 121.140 120.200 0.190 0.000 6.280 1181 E HA -0.327 4.025 4.350 0.004 0.000 0.434 1181 E C -0.731 175.925 176.600 0.094 0.000 0.319 1181 E CA 0.567 57.034 56.400 0.112 0.000 0.884 1181 E CB -1.127 28.634 29.700 0.103 0.000 0.814 1181 E HN 0.419 nan 8.360 nan 0.000 0.363 1182 C N 4.141 123.477 119.300 0.060 0.000 2.955 1182 C HA 0.173 4.636 4.460 0.004 0.000 0.229 1182 C C -0.114 174.902 174.990 0.044 0.000 1.842 1182 C CA -0.236 58.814 59.018 0.054 0.000 1.539 1182 C CB -1.083 26.680 27.740 0.037 0.000 2.869 1182 C HN 0.736 nan 8.230 nan 0.000 0.503 1183 K N 1.097 121.523 120.400 0.045 0.000 2.467 1183 K HA 0.133 4.456 4.320 0.004 0.000 0.249 1183 K C 1.164 177.781 176.600 0.028 0.000 1.077 1183 K CA 1.729 58.036 56.287 0.034 0.000 1.115 1183 K CB -1.034 31.486 32.500 0.034 0.000 0.707 1183 K HN 1.704 nan 8.250 nan 0.000 0.422 1184 G N 1.917 110.731 108.800 0.023 0.000 3.024 1184 G HA2 -0.511 3.451 3.960 0.004 0.000 0.339 1184 G HA3 -0.511 3.451 3.960 0.004 0.000 0.339 1184 G C 1.639 176.550 174.900 0.018 0.000 1.200 1184 G CA 1.588 46.700 45.100 0.019 0.000 0.968 1184 G HN 1.284 nan 8.290 nan 0.000 0.593 1185 c N 0.463 119.074 118.600 0.018 0.000 2.348 1185 c HA -0.263 4.310 4.570 0.004 0.000 0.254 1185 c C 1.783 175.881 174.090 0.014 0.000 1.059 1185 c CA 3.016 59.354 56.329 0.015 0.000 1.872 1185 c CB -1.720 40.800 42.510 0.017 0.000 2.143 1185 c HN 1.196 nan 8.230 nan 0.000 0.428 1186 D N -1.157 119.254 120.400 0.018 0.000 2.907 1186 D HA -0.155 4.487 4.640 0.004 0.000 0.226 1186 D C -0.063 176.245 176.300 0.013 0.000 1.141 1186 D CA 0.888 54.898 54.000 0.017 0.000 0.779 1186 D CB -1.665 39.143 40.800 0.013 0.000 1.095 1186 D HN 0.767 nan 8.370 nan 0.000 0.430 1187 N N 0.580 119.287 118.700 0.012 0.000 2.422 1187 N HA 0.174 4.916 4.740 0.004 0.000 0.264 1187 N C 0.568 176.081 175.510 0.004 0.000 1.063 1187 N CA -0.060 52.990 53.050 0.000 0.000 0.959 1187 N CB 0.560 39.041 38.487 -0.009 0.000 1.087 1187 N HN 0.198 nan 8.380 nan 0.000 0.483 1188 K N 2.715 123.113 120.400 -0.003 0.000 2.481 1188 K HA 0.184 4.507 4.320 0.004 0.000 0.210 1188 K C 0.414 176.987 176.600 -0.045 0.000 1.161 1188 K CA 0.055 56.344 56.287 0.004 0.000 1.023 1188 K CB 0.678 33.200 32.500 0.035 0.000 0.971 1188 K HN 0.376 nan 8.250 nan 0.000 0.577 1189 I N 0.089 120.620 120.570 -0.065 0.000 4.227 1189 I HA 0.136 4.308 4.170 0.004 0.000 0.334 1189 I C -0.266 175.755 176.117 -0.160 0.000 1.341 1189 I CA -0.004 61.235 61.300 -0.102 0.000 1.123 1189 I CB 0.394 38.359 38.000 -0.060 0.000 1.097 1189 I HN -0.089 nan 8.210 nan 0.000 0.399 1190 D N 2.669 122.994 120.400 -0.125 0.000 2.477 1190 D HA 0.572 5.215 4.640 0.004 0.000 0.239 1190 D C -0.413 175.837 176.300 -0.082 0.000 1.102 1190 D CA 0.202 54.149 54.000 -0.088 0.000 0.901 1190 D CB 1.320 42.112 40.800 -0.012 0.000 1.026 1190 D HN 0.097 nan 8.370 nan 0.000 0.515 1191 I N 1.383 121.778 120.570 -0.291 0.000 2.913 1191 I HA 0.366 4.538 4.170 0.004 0.000 0.302 1191 I C -1.493 174.162 176.117 -0.769 0.000 1.246 1191 I CA -0.859 60.226 61.300 -0.359 0.000 1.010 1191 I CB 2.609 40.330 38.000 -0.465 0.000 1.259 1191 I HN 0.083 nan 8.210 nan 0.000 0.434 1192 Y N 2.705 122.888 120.300 -0.195 0.000 2.362 1192 Y HA 0.292 4.844 4.550 0.003 0.000 0.326 1192 Y C -0.478 175.417 175.900 -0.007 0.000 1.083 1192 Y CA -0.552 57.482 58.100 -0.110 0.000 1.073 1192 Y CB 1.954 40.361 38.460 -0.089 0.000 1.211 1192 Y HN 0.395 nan 8.280 nan 0.000 0.433 1193 Q N 5.580 125.475 119.800 0.159 0.000 2.296 1193 Q HA 0.564 4.906 4.340 0.004 0.000 0.257 1193 Q C -0.678 175.396 176.000 0.125 0.000 0.942 1193 Q CA -0.468 55.458 55.803 0.206 0.000 0.939 1193 Q CB 0.888 29.708 28.738 0.137 0.000 1.198 1193 Q HN 0.745 nan 8.270 nan 0.000 0.429 1194 I N -0.003 120.601 120.570 0.058 0.000 3.580 1194 I HA 0.609 4.781 4.170 0.004 0.000 0.296 1194 I C -1.337 174.837 176.117 0.096 0.000 1.146 1194 I CA -0.773 60.573 61.300 0.077 0.000 1.051 1194 I CB 2.157 40.208 38.000 0.085 0.000 1.364 1194 I HN 0.650 nan 8.210 nan 0.000 0.482 1195 H N 2.737 121.811 119.070 0.006 0.000 3.149 1195 H HA 0.666 5.224 4.556 0.003 0.000 0.334 1195 H C -1.287 174.052 175.328 0.019 0.000 1.000 1195 H CA -0.493 55.550 56.048 -0.009 0.000 1.415 1195 H CB 1.563 31.326 29.762 0.003 0.000 1.819 1195 H HN 0.697 nan 8.280 nan 0.000 0.486 1196 I N 1.299 121.993 120.570 0.207 0.000 3.095 1196 I HA 0.599 4.771 4.170 0.004 0.000 0.310 1196 I C -3.049 173.180 176.117 0.188 0.000 1.196 1196 I CA -2.881 58.509 61.300 0.151 0.000 0.985 1196 I CB 1.899 39.958 38.000 0.098 0.000 1.250 1196 I HN 0.203 nan 8.210 nan 0.000 0.446 1197 P HA 0.027 nan 4.420 nan 0.000 0.260 1197 P C 0.281 177.697 177.300 0.192 0.000 1.185 1197 P CA 0.484 63.655 63.100 0.119 0.000 0.763 1197 P CB -0.030 31.691 31.700 0.034 0.000 0.776 1198 Y N 5.405 125.793 120.300 0.147 0.000 2.241 1198 Y HA -0.323 4.229 4.550 0.004 0.000 0.286 1198 Y C 2.150 178.069 175.900 0.033 0.000 1.166 1198 Y CA 2.156 60.338 58.100 0.136 0.000 1.203 1198 Y CB -0.555 37.873 38.460 -0.054 0.000 0.977 1198 Y HN 0.444 nan 8.280 nan 0.000 0.529 1199 A N 0.754 123.630 122.820 0.094 0.000 1.892 1199 A HA -0.214 4.108 4.320 0.004 0.000 0.218 1199 A C 2.489 179.951 177.584 -0.203 0.000 1.188 1199 A CA 2.188 54.204 52.037 -0.036 0.000 0.631 1199 A CB -1.707 17.302 19.000 0.016 0.000 0.822 1199 A HN 0.704 nan 8.150 nan 0.000 0.447 1200 A N 0.698 123.399 122.820 -0.199 0.000 1.901 1200 A HA -0.396 3.927 4.320 0.004 0.000 0.227 1200 A C 2.188 179.442 177.584 -0.550 0.000 1.551 1200 A CA 3.298 55.100 52.037 -0.392 0.000 0.769 1200 A CB -0.881 17.981 19.000 -0.231 0.000 0.845 1200 A HN 0.571 nan 8.150 nan 0.000 0.481 1201 K N 0.079 120.287 120.400 -0.319 0.000 2.089 1201 K HA -0.176 4.146 4.320 0.004 0.000 0.210 1201 K C 1.855 178.327 176.600 -0.214 0.000 1.048 1201 K CA 1.860 58.059 56.287 -0.146 0.000 0.926 1201 K CB -0.903 31.591 32.500 -0.010 0.000 0.714 1201 K HN 0.497 nan 8.250 nan 0.000 0.448 1202 L N 0.793 121.771 121.223 -0.408 0.000 1.981 1202 L HA -0.287 4.055 4.340 0.004 0.000 0.243 1202 L C 2.548 179.345 176.870 -0.122 0.000 1.088 1202 L CA 2.061 56.742 54.840 -0.265 0.000 0.849 1202 L CB -1.163 40.756 42.059 -0.233 0.000 0.914 1202 L HN 0.413 nan 8.230 nan 0.000 0.429 1203 L N -0.065 121.072 121.223 -0.142 0.000 2.324 1203 L HA -0.393 3.949 4.340 0.004 0.000 0.237 1203 L C 2.316 179.211 176.870 0.041 0.000 1.137 1203 L CA 2.500 57.282 54.840 -0.096 0.000 0.855 1203 L CB -1.722 40.190 42.059 -0.245 0.000 0.961 1203 L HN 0.411 nan 8.230 nan 0.000 0.446 1204 F N -0.720 119.209 119.950 -0.035 0.000 2.120 1204 F HA -0.326 4.204 4.527 0.004 0.000 0.300 1204 F C 2.634 178.427 175.800 -0.011 0.000 1.095 1204 F CA 1.390 59.380 58.000 -0.017 0.000 1.249 1204 F CB -0.276 38.718 39.000 -0.010 0.000 0.995 1204 F HN 0.380 nan 8.300 nan 0.000 0.480 1205 Q N 0.328 120.238 119.800 0.183 0.000 1.967 1205 Q HA -0.241 4.101 4.340 0.004 0.000 0.202 1205 Q C 2.009 178.051 176.000 0.071 0.000 0.985 1205 Q CA 1.782 57.641 55.803 0.093 0.000 0.839 1205 Q CB -0.392 28.375 28.738 0.048 0.000 0.906 1205 Q HN 0.379 nan 8.270 nan 0.000 0.423 1206 E N 0.747 120.977 120.200 0.050 0.000 2.086 1206 E HA -0.242 4.111 4.350 0.004 0.000 0.205 1206 E C 1.987 178.623 176.600 0.059 0.000 1.027 1206 E CA 1.373 57.799 56.400 0.043 0.000 0.830 1206 E CB -0.225 29.493 29.700 0.030 0.000 0.751 1206 E HN 0.238 nan 8.360 nan 0.000 0.456 1207 L N -0.350 120.929 121.223 0.093 0.000 1.990 1207 L HA -0.287 4.055 4.340 0.004 0.000 0.213 1207 L C 2.605 179.511 176.870 0.060 0.000 1.072 1207 L CA 1.489 56.383 54.840 0.089 0.000 0.755 1207 L CB -0.346 41.789 42.059 0.127 0.000 0.889 1207 L HN 0.302 nan 8.230 nan 0.000 0.432 1208 M N -0.862 118.776 119.600 0.064 0.000 2.144 1208 M HA -0.226 4.256 4.480 0.004 0.000 0.260 1208 M C 1.832 178.154 176.300 0.036 0.000 1.067 1208 M CA 2.093 57.418 55.300 0.041 0.000 1.095 1208 M CB -0.268 32.361 32.600 0.048 0.000 1.365 1208 M HN 0.310 nan 8.290 nan 0.000 0.406 1209 A N -1.446 121.399 122.820 0.041 0.000 2.337 1209 A HA 0.163 4.485 4.320 0.004 0.000 0.227 1209 A C 1.429 179.031 177.584 0.030 0.000 1.259 1209 A CA 0.074 52.131 52.037 0.034 0.000 0.870 1209 A CB -0.415 18.607 19.000 0.037 0.000 0.927 1209 A HN 0.530 nan 8.150 nan 0.000 0.497 1210 M N -0.273 119.346 119.600 0.030 0.000 2.785 1210 M HA 0.239 4.721 4.480 0.004 0.000 0.374 1210 M C 0.352 176.664 176.300 0.021 0.000 1.221 1210 M CA -0.025 55.290 55.300 0.025 0.000 0.912 1210 M CB -0.017 32.599 32.600 0.027 0.000 1.355 1210 M HN 0.485 nan 8.290 nan 0.000 0.513 1211 N N 0.654 119.366 118.700 0.020 0.000 2.878 1211 N HA -0.155 4.587 4.740 0.004 0.000 0.247 1211 N C -0.799 174.717 175.510 0.010 0.000 1.021 1211 N CA 0.786 53.845 53.050 0.014 0.000 0.873 1211 N CB -0.732 37.762 38.487 0.012 0.000 1.128 1211 N HN 0.463 nan 8.380 nan 0.000 0.571 1212 I N 1.184 121.761 120.570 0.013 0.000 2.525 1212 I HA 0.214 4.386 4.170 0.004 0.000 0.301 1212 I C 1.162 177.273 176.117 -0.010 0.000 0.992 1212 I CA -0.630 60.672 61.300 0.003 0.000 1.162 1212 I CB 1.728 39.732 38.000 0.007 0.000 1.332 1212 I HN 0.027 nan 8.210 nan 0.000 0.458 1213 T N 2.129 116.667 114.554 -0.026 0.000 2.910 1213 T HA 0.572 4.924 4.350 0.004 0.000 0.293 1213 T C -2.608 172.024 174.700 -0.113 0.000 1.015 1213 T CA -1.298 60.770 62.100 -0.054 0.000 1.094 1213 T CB 1.259 70.103 68.868 -0.041 0.000 0.968 1213 T HN 0.395 nan 8.240 nan 0.000 0.521 1214 P HA 0.393 nan 4.420 nan 0.000 0.173 1214 P C -0.695 176.392 177.300 -0.354 0.000 1.843 1214 P CA -0.641 62.232 63.100 -0.379 0.000 1.415 1214 P CB 0.747 32.035 31.700 -0.687 0.000 1.524 1215 R N 2.605 122.986 120.500 -0.198 0.000 2.404 1215 R HA 0.266 4.609 4.340 0.004 0.000 0.315 1215 R C 0.022 176.315 176.300 -0.012 0.000 1.032 1215 R CA -0.130 55.926 56.100 -0.073 0.000 0.992 1215 R CB 0.451 30.722 30.300 -0.048 0.000 0.959 1215 R HN 0.445 nan 8.270 nan 0.000 0.428 1216 L N 4.823 126.071 121.223 0.041 0.000 2.272 1216 L HA 0.404 4.746 4.340 0.004 0.000 0.289 1216 L C -0.651 176.298 176.870 0.132 0.000 1.032 1216 L CA -0.634 54.251 54.840 0.075 0.000 0.810 1216 L CB 0.377 42.425 42.059 -0.019 0.000 1.205 1216 L HN 0.387 nan 8.230 nan 0.000 0.422 1217 Y N 0.653 120.872 120.300 -0.137 0.000 2.499 1217 Y HA 0.331 4.883 4.550 0.004 0.000 0.347 1217 Y C 1.031 176.838 175.900 -0.156 0.000 0.987 1217 Y CA -0.837 57.168 58.100 -0.159 0.000 1.044 1217 Y CB 2.415 40.806 38.460 -0.114 0.000 1.245 1217 Y HN 0.512 nan 8.280 nan 0.000 0.461 1218 T N -1.071 113.411 114.554 -0.120 0.000 3.034 1218 T HA 0.063 4.415 4.350 0.004 0.000 0.248 1218 T C -0.473 174.178 174.700 -0.082 0.000 1.040 1218 T CA 0.203 62.184 62.100 -0.199 0.000 1.107 1218 T CB -0.075 68.434 68.868 -0.597 0.000 0.932 1218 T HN 0.580 nan 8.240 nan 0.000 0.474 1219 D N 1.094 121.472 120.400 -0.036 0.000 2.177 1219 D HA 0.408 5.050 4.640 0.004 0.000 0.247 1219 D C 1.006 177.325 176.300 0.032 0.000 1.063 1219 D CA -0.898 53.107 54.000 0.008 0.000 0.867 1219 D CB 1.121 41.928 40.800 0.012 0.000 1.168 1219 D HN -0.349 nan 8.370 nan 0.000 0.445 1220 R N 1.220 121.736 120.500 0.027 0.000 2.189 1220 R HA -0.165 4.177 4.340 0.004 0.000 0.252 1220 R C 0.244 176.562 176.300 0.029 0.000 1.134 1220 R CA 1.203 57.318 56.100 0.026 0.000 0.954 1220 R CB -1.391 28.923 30.300 0.024 0.000 0.890 1220 R HN 0.675 nan 8.270 nan 0.000 0.443 1221 S N 2.597 118.319 115.700 0.037 0.000 3.364 1221 S HA -0.093 4.380 4.470 0.004 0.000 0.398 1221 S C 0.579 175.220 174.600 0.067 0.000 1.011 1221 S CA 0.088 58.317 58.200 0.049 0.000 1.756 1221 S CB -0.222 63.007 63.200 0.047 0.000 1.100 1221 S HN 0.114 nan 8.310 nan 0.000 0.613 1222 R N 2.456 122.981 120.500 0.041 0.000 2.457 1222 R HA -0.022 4.321 4.340 0.004 0.000 0.335 1222 R C 0.616 176.957 176.300 0.068 0.000 1.003 1222 R CA 0.106 56.222 56.100 0.027 0.000 1.003 1222 R CB -0.208 30.098 30.300 0.011 0.000 0.950 1222 R HN 0.616 nan 8.270 nan 0.000 0.428 1223 D N 3.503 123.952 120.400 0.081 0.000 2.565 1223 D HA -0.296 4.346 4.640 0.004 0.000 0.189 1223 D C 0.850 177.227 176.300 0.128 0.000 1.052 1223 D CA 1.662 55.717 54.000 0.091 0.000 0.889 1223 D CB -0.232 40.620 40.800 0.087 0.000 0.911 1223 D HN 0.597 nan 8.370 nan 0.000 0.464 1224 F N 0.000 119.953 119.950 0.006 0.000 2.286 1224 F HA 0.000 4.529 4.527 0.004 0.000 0.279 1224 F CA 0.000 58.002 58.000 0.004 0.000 1.383 1224 F CB 0.000 39.000 39.000 0.000 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574