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 2nvt_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXE ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKRTYEA IDXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGXXXX XXXXXKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGEQ DATA SEQUENCE KKAMSSRAGV SQVLNRYTYS STLSHLRRTN TPIXXXXXXA KPRQLHNTHW DATA SEQUENCE GLVCPAETPE GQACGLVKNL SLMSCISVGT DPMPIITFLS EWGMEPLEDY DATA SEQUENCE VPHQSPDATR VFVNGVWHGV HRNPARLMET LRTLRRKGDI NPEVSMIRDI DATA SEQUENCE REKELKIFTD AGRVYRPLFI VEDDESLGHK ELKVRKGHIA KLMATEYQDX DATA SEQUENCE XXXXXXXXEY TWSSLLNEGL VEYIDAEEEE SILIAMQPED LEPAEAXXXX DATA SEQUENCE XXDVDPAKRI RVSHHATTFT HCEIHPSMIL GVAASIIPFP DHNQSPRNTY DATA SEQUENCE QSAMGKQAMG VFLTNYNVRM DTMANILYYP QKPLGTTRAM EYLKFRELPA DATA SEQUENCE GQNAIVAIAC YSGYNQEDSM IMNQSSIDRG LFRSLFFRSY MDQEKKYGMS DATA SEQUENCE ITETFEKPQR TNTLRMKHGT YDKLDDDGLI APGVRVSGED VIIGKTTPIS DATA SEQUENCE XXXXXXXXXX XXXSKRDAST PLRSTENGIV DQVLVTTNQD GLKFVKVRVR DATA SEQUENCE TTKIPQIGDK FASRHGQKGT IGITYRREDM PFTAEGIVPD LIINPHAIPS DATA SEQUENCE RMTVAHLIEC LLSKVAALSG NEGDASPFTD ITVEGISKLL REHGYQSRGF DATA SEQUENCE EVMYNGHTGK KLMAQIFFGP TYYQRLRHMV DDKIHARARG PMQVLTRQPV DATA SEQUENCE EGRSRDGGLR FGEMERDCMI AHGAASFLKE RLMEASDAFR VHICGICGLM DATA SEQUENCE TVIAKLNHNQ FECKGCDNKI DIYQIHIPYA AKLLFQELMA MNITPRLYTD DATA SEQUENCE RSRDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.291 176.300 -0.015 0.000 2.045 20 D CA 0.000 53.995 54.000 -0.009 0.000 0.868 20 D CB 0.000 40.798 40.800 -0.004 0.000 0.688 21 E N 0.361 120.545 120.200 -0.026 0.000 2.641 21 E HA 0.224 4.574 4.350 0.001 0.000 0.224 21 E C 0.341 176.912 176.600 -0.048 0.000 0.951 21 E CA -0.279 56.093 56.400 -0.047 0.000 1.102 21 E CB 0.702 30.355 29.700 -0.078 0.000 1.091 21 E HN 0.110 nan 8.360 nan 0.000 0.507 22 S N 0.850 116.537 115.700 -0.022 0.000 2.446 22 S HA 0.229 4.699 4.470 0.001 0.000 0.225 22 S C 1.146 175.751 174.600 0.010 0.000 1.016 22 S CA 0.399 58.597 58.200 -0.003 0.000 0.943 22 S CB 0.029 63.232 63.200 0.005 0.000 0.786 22 S HN 0.500 nan 8.310 nan 0.000 0.508 23 A N 3.689 126.512 122.820 0.005 0.000 2.584 23 A HA 0.197 4.518 4.320 0.001 0.000 0.239 23 A C -2.367 175.220 177.584 0.006 0.000 1.043 23 A CA -0.584 51.457 52.037 0.007 0.000 0.756 23 A CB -0.315 18.689 19.000 0.007 0.000 0.963 23 A HN 0.222 nan 8.150 nan 0.000 0.511 24 P HA 0.230 nan 4.420 nan 0.000 0.276 24 P C 0.186 177.463 177.300 -0.038 0.000 1.230 24 P CA -0.085 62.996 63.100 -0.031 0.000 0.776 24 P CB 0.387 32.054 31.700 -0.055 0.000 0.888 25 I N 1.684 122.219 120.570 -0.059 0.000 3.207 25 I HA -0.133 4.038 4.170 0.001 0.000 0.318 25 I C 1.121 177.202 176.117 -0.059 0.000 1.200 25 I CA 1.667 62.928 61.300 -0.065 0.000 1.451 25 I CB -0.152 37.749 38.000 -0.166 0.000 1.299 25 I HN 0.500 nan 8.210 nan 0.000 0.564 26 T N 1.905 116.451 114.554 -0.014 0.000 2.909 26 T HA 0.617 4.967 4.350 0.001 0.000 0.299 26 T C 0.662 175.392 174.700 0.050 0.000 1.073 26 T CA -0.343 61.759 62.100 0.004 0.000 0.999 26 T CB 1.822 70.706 68.868 0.026 0.000 1.098 26 T HN 0.802 nan 8.240 nan 0.000 0.477 27 A N 1.825 124.679 122.820 0.057 0.000 1.670 27 A HA -0.367 3.953 4.320 0.001 0.000 0.312 27 A C 2.183 179.901 177.584 0.223 0.000 3.495 27 A CA 2.764 54.878 52.037 0.129 0.000 0.917 27 A CB -1.691 17.388 19.000 0.131 0.000 0.783 27 A HN 0.931 nan 8.150 nan 0.000 0.530 28 E N -0.654 119.671 120.200 0.209 0.000 2.049 28 E HA -0.212 4.139 4.350 0.001 0.000 0.198 28 E C 1.728 178.500 176.600 0.286 0.000 1.007 28 E CA 1.483 58.038 56.400 0.258 0.000 0.809 28 E CB -0.629 29.172 29.700 0.169 0.000 0.749 28 E HN 0.680 nan 8.360 nan 0.000 0.450 29 D N 0.160 120.678 120.400 0.197 0.000 2.280 29 D HA -0.139 4.501 4.640 0.001 0.000 0.206 29 D C 1.909 178.351 176.300 0.238 0.000 0.988 29 D CA 1.383 55.496 54.000 0.189 0.000 0.886 29 D CB -0.173 40.700 40.800 0.121 0.000 0.914 29 D HN 0.207 nan 8.370 nan 0.000 0.473 30 S N -1.112 114.728 115.700 0.234 0.000 2.453 30 S HA -0.135 4.335 4.470 0.001 0.000 0.231 30 S C 1.829 176.496 174.600 0.112 0.000 1.005 30 S CA 0.082 58.410 58.200 0.214 0.000 0.949 30 S CB -0.704 62.605 63.200 0.183 0.000 0.774 30 S HN 0.332 nan 8.310 nan 0.000 0.510 31 W N 2.009 123.424 121.300 0.192 0.000 2.519 31 W HA 0.346 5.006 4.660 0.000 0.000 0.266 31 W C 2.756 179.403 176.519 0.212 0.000 1.253 31 W CA 0.296 57.743 57.345 0.170 0.000 1.274 31 W CB -0.426 29.114 29.460 0.133 0.000 1.114 31 W HN 0.412 nan 8.180 nan 0.000 0.596 32 A N 0.184 123.235 122.820 0.386 0.000 1.883 32 A HA -0.210 4.110 4.320 0.001 0.000 0.217 32 A C 1.984 179.753 177.584 0.308 0.000 1.186 32 A CA 2.424 54.656 52.037 0.324 0.000 0.624 32 A CB -1.104 18.060 19.000 0.273 0.000 0.822 32 A HN 0.092 nan 8.150 nan 0.000 0.444 33 V N 0.312 120.403 119.914 0.295 0.000 2.295 33 V HA -0.265 3.855 4.120 0.001 0.000 0.246 33 V C 2.347 178.558 176.094 0.196 0.000 1.049 33 V CA 1.994 64.473 62.300 0.298 0.000 1.024 33 V CB -0.933 31.055 31.823 0.274 0.000 0.648 33 V HN 0.580 nan 8.190 nan 0.000 0.447 34 I N 0.147 120.757 120.570 0.066 0.000 2.567 34 I HA -0.175 3.996 4.170 0.001 0.000 0.257 34 I C 2.484 178.581 176.117 -0.033 0.000 1.184 34 I CA 1.176 62.415 61.300 -0.103 0.000 1.451 34 I CB -0.438 37.441 38.000 -0.200 0.000 1.089 34 I HN 0.194 nan 8.210 nan 0.000 0.441 35 S N 0.506 116.315 115.700 0.181 0.000 2.362 35 S HA -0.016 4.455 4.470 0.001 0.000 0.221 35 S C 2.307 177.071 174.600 0.273 0.000 1.032 35 S CA 1.169 59.560 58.200 0.318 0.000 0.973 35 S CB -0.151 63.309 63.200 0.433 0.000 0.849 35 S HN 0.528 nan 8.310 nan 0.000 0.465 36 A N 0.951 123.930 122.820 0.265 0.000 1.873 36 A HA 0.101 4.421 4.320 0.001 0.000 0.215 36 A C 0.876 178.537 177.584 0.127 0.000 1.186 36 A CA 0.579 52.770 52.037 0.257 0.000 0.616 36 A CB -0.696 18.520 19.000 0.359 0.000 0.823 36 A HN 0.474 nan 8.150 nan 0.000 0.442 37 F N -1.391 118.417 119.950 -0.235 0.000 2.553 37 F HA 0.281 4.809 4.527 0.001 0.000 0.356 37 F C 0.811 176.359 175.800 -0.419 0.000 1.142 37 F CA 1.216 58.719 58.000 -0.828 0.000 1.322 37 F CB 0.084 38.241 39.000 -1.405 0.000 1.126 37 F HN 0.421 nan 8.300 nan 0.000 0.599 38 F N 0.765 120.460 119.950 -0.426 0.000 2.523 38 F HA -0.408 4.119 4.527 0.000 0.000 0.735 38 F C 2.115 177.851 175.800 -0.106 0.000 0.486 38 F CA 1.364 59.266 58.000 -0.163 0.000 0.799 38 F CB -1.361 37.625 39.000 -0.023 0.000 1.645 38 F HN 0.492 nan 8.300 nan 0.000 0.274 39 R N 0.801 121.419 120.500 0.196 0.000 2.159 39 R HA -0.289 4.051 4.340 0.001 0.000 0.249 39 R C 1.895 178.216 176.300 0.035 0.000 1.136 39 R CA 2.647 58.822 56.100 0.126 0.000 0.951 39 R CB -0.453 29.934 30.300 0.146 0.000 0.876 39 R HN 0.697 nan 8.270 nan 0.000 0.440 40 E N -0.161 120.015 120.200 -0.040 0.000 2.033 40 E HA -0.124 4.226 4.350 0.001 0.000 0.189 40 E C 1.436 177.935 176.600 -0.169 0.000 0.979 40 E CA 0.912 57.266 56.400 -0.077 0.000 0.802 40 E CB 0.191 29.865 29.700 -0.043 0.000 0.763 40 E HN 0.269 nan 8.360 nan 0.000 0.449 41 K N 0.249 120.414 120.400 -0.391 0.000 2.418 41 K HA 0.106 4.426 4.320 0.001 0.000 0.195 41 K C 1.097 177.546 176.600 -0.252 0.000 1.035 41 K CA 0.419 56.425 56.287 -0.468 0.000 1.003 41 K CB 0.528 32.387 32.500 -1.068 0.000 0.793 41 K HN 0.309 nan 8.250 nan 0.000 0.494 42 G N 1.708 110.448 108.800 -0.101 0.000 2.547 42 G HA2 -0.336 3.624 3.960 0.001 0.000 0.271 42 G HA3 -0.336 3.624 3.960 0.001 0.000 0.271 42 G C 0.360 175.352 174.900 0.155 0.000 1.209 42 G CA 0.174 45.303 45.100 0.049 0.000 0.959 42 G HN 0.277 nan 8.290 nan 0.000 0.563 43 L N -0.515 120.787 121.223 0.133 0.000 3.316 43 L HA 0.275 4.615 4.340 0.001 0.000 0.300 43 L C 1.683 178.612 176.870 0.098 0.000 1.128 43 L CA 0.877 55.831 54.840 0.190 0.000 1.111 43 L CB 1.075 43.242 42.059 0.180 0.000 1.687 43 L HN 0.940 nan 8.230 nan 0.000 0.594 44 V N -4.254 115.694 119.914 0.057 0.000 2.933 44 V HA 0.261 4.381 4.120 0.001 0.000 0.374 44 V C 1.499 177.598 176.094 0.009 0.000 1.321 44 V CA 0.360 62.680 62.300 0.034 0.000 1.290 44 V CB 0.200 32.049 31.823 0.044 0.000 1.346 44 V HN 0.222 nan 8.190 nan 0.000 0.560 45 S N 2.875 118.562 115.700 -0.021 0.000 2.389 45 S HA -0.360 4.110 4.470 0.001 0.000 0.229 45 S C 2.099 176.682 174.600 -0.028 0.000 1.048 45 S CA 3.135 61.300 58.200 -0.057 0.000 1.117 45 S CB -0.143 62.968 63.200 -0.147 0.000 1.020 45 S HN 0.977 nan 8.310 nan 0.000 0.430 46 Q N 0.937 120.712 119.800 -0.041 0.000 2.152 46 Q HA -0.111 4.229 4.340 0.001 0.000 0.206 46 Q C 2.038 178.058 176.000 0.032 0.000 0.985 46 Q CA 1.648 57.441 55.803 -0.017 0.000 0.863 46 Q CB -0.806 27.902 28.738 -0.050 0.000 0.904 46 Q HN 0.538 nan 8.270 nan 0.000 0.422 47 Q N 0.138 119.959 119.800 0.035 0.000 2.124 47 Q HA -0.010 4.330 4.340 0.001 0.000 0.202 47 Q C 2.208 178.261 176.000 0.089 0.000 0.977 47 Q CA 1.141 56.981 55.803 0.062 0.000 0.850 47 Q CB -0.084 28.680 28.738 0.043 0.000 0.901 47 Q HN 0.492 nan 8.270 nan 0.000 0.429 48 L N 0.421 121.686 121.223 0.069 0.000 2.095 48 L HA -0.149 4.191 4.340 0.001 0.000 0.204 48 L C 1.928 178.895 176.870 0.161 0.000 1.080 48 L CA 0.745 55.644 54.840 0.098 0.000 0.759 48 L CB -0.279 41.811 42.059 0.052 0.000 0.914 48 L HN 0.102 nan 8.230 nan 0.000 0.439 49 D N -0.448 120.021 120.400 0.114 0.000 2.077 49 D HA -0.199 4.442 4.640 0.001 0.000 0.196 49 D C 2.242 178.631 176.300 0.148 0.000 0.986 49 D CA 1.744 55.814 54.000 0.115 0.000 0.829 49 D CB -0.217 40.630 40.800 0.079 0.000 0.983 49 D HN 0.109 nan 8.370 nan 0.000 0.453 50 S N -0.638 115.149 115.700 0.146 0.000 2.461 50 S HA -0.207 4.263 4.470 0.001 0.000 0.246 50 S C 1.668 176.420 174.600 0.254 0.000 1.007 50 S CA 0.762 59.062 58.200 0.166 0.000 0.976 50 S CB -0.360 62.925 63.200 0.142 0.000 0.763 50 S HN 0.224 nan 8.310 nan 0.000 0.508 51 F N 1.995 122.024 119.950 0.131 0.000 2.374 51 F HA 0.283 4.810 4.527 0.001 0.000 0.291 51 F C 1.988 177.907 175.800 0.197 0.000 1.084 51 F CA 0.760 58.869 58.000 0.180 0.000 1.413 51 F CB -0.316 38.761 39.000 0.128 0.000 1.099 51 F HN 0.179 nan 8.300 nan 0.000 0.534 52 N N 0.469 119.278 118.700 0.182 0.000 2.223 52 N HA -0.199 4.541 4.740 0.001 0.000 0.185 52 N C 1.745 177.288 175.510 0.055 0.000 1.016 52 N CA 1.132 54.228 53.050 0.078 0.000 0.863 52 N CB -0.510 38.048 38.487 0.118 0.000 0.983 52 N HN 0.330 nan 8.380 nan 0.000 0.429 53 Q N 0.299 120.155 119.800 0.094 0.000 2.119 53 Q HA -0.026 4.314 4.340 0.001 0.000 0.201 53 Q C 1.777 177.827 176.000 0.084 0.000 0.972 53 Q CA 1.012 56.875 55.803 0.100 0.000 0.847 53 Q CB -0.492 28.283 28.738 0.062 0.000 0.903 53 Q HN 0.371 nan 8.270 nan 0.000 0.433 54 F N -0.762 119.120 119.950 -0.114 0.000 2.084 54 F HA -0.128 4.399 4.527 0.000 0.000 0.296 54 F C 1.883 177.515 175.800 -0.280 0.000 1.111 54 F CA 1.407 59.290 58.000 -0.194 0.000 1.224 54 F CB -0.521 38.334 39.000 -0.241 0.000 0.991 54 F HN -0.062 nan 8.300 nan 0.000 0.471 55 V N 0.629 120.288 119.914 -0.426 0.000 2.427 55 V HA -0.263 3.857 4.120 0.001 0.000 0.248 55 V C 1.972 177.841 176.094 -0.374 0.000 1.051 55 V CA 2.254 64.261 62.300 -0.489 0.000 1.048 55 V CB -0.641 30.952 31.823 -0.384 0.000 0.666 55 V HN 0.332 nan 8.190 nan 0.000 0.456 56 D N -1.601 118.663 120.400 -0.227 0.000 2.123 56 D HA -0.089 4.552 4.640 0.001 0.000 0.200 56 D C 1.752 177.769 176.300 -0.471 0.000 0.976 56 D CA 1.622 55.448 54.000 -0.290 0.000 0.831 56 D CB 0.007 40.699 40.800 -0.179 0.000 0.974 56 D HN 0.562 nan 8.370 nan 0.000 0.469 57 Y N -0.063 120.098 120.300 -0.231 0.000 2.808 57 Y HA 0.115 4.665 4.550 0.001 0.000 0.244 57 Y C 2.485 178.207 175.900 -0.297 0.000 1.033 57 Y CA 0.304 58.279 58.100 -0.209 0.000 1.415 57 Y CB -0.853 37.528 38.460 -0.132 0.000 1.420 57 Y HN -0.246 nan 8.280 nan 0.000 0.484 58 T N 2.136 116.627 114.554 -0.104 0.000 2.795 58 T HA -0.246 4.104 4.350 0.001 0.000 0.266 58 T C 1.810 176.189 174.700 -0.534 0.000 1.056 58 T CA 1.994 63.944 62.100 -0.250 0.000 1.141 58 T CB -0.528 68.245 68.868 -0.157 0.000 0.840 58 T HN 0.117 nan 8.240 nan 0.000 0.493 59 L N 0.892 121.631 121.223 -0.806 0.000 2.095 59 L HA 0.104 4.444 4.340 0.001 0.000 0.204 59 L C 2.446 178.982 176.870 -0.556 0.000 1.080 59 L CA 1.693 55.974 54.840 -0.933 0.000 0.759 59 L CB -0.873 40.585 42.059 -1.001 0.000 0.914 59 L HN 0.085 nan 8.230 nan 0.000 0.439 60 Q N -0.548 119.024 119.800 -0.381 0.000 2.291 60 Q HA -0.188 4.152 4.340 0.001 0.000 0.206 60 Q C 1.529 177.431 176.000 -0.162 0.000 0.976 60 Q CA 1.883 57.542 55.803 -0.240 0.000 0.875 60 Q CB -0.124 28.497 28.738 -0.195 0.000 0.927 60 Q HN 0.538 nan 8.270 nan 0.000 0.450 61 D N -1.026 119.280 120.400 -0.156 0.000 2.216 61 D HA -0.002 4.638 4.640 0.001 0.000 0.208 61 D C 1.161 177.429 176.300 -0.053 0.000 0.960 61 D CA 0.458 54.412 54.000 -0.077 0.000 0.861 61 D CB 0.131 40.901 40.800 -0.051 0.000 0.985 61 D HN 0.236 nan 8.370 nan 0.000 0.493 62 I N 0.526 121.030 120.570 -0.111 0.000 3.001 62 I HA -0.057 4.114 4.170 0.001 0.000 0.268 62 I C 1.944 178.104 176.117 0.073 0.000 1.267 62 I CA 0.562 61.861 61.300 -0.002 0.000 1.472 62 I CB -0.445 37.537 38.000 -0.030 0.000 1.089 62 I HN 0.017 nan 8.210 nan 0.000 0.468 63 I N -0.516 120.002 120.570 -0.087 0.000 2.810 63 I HA -0.089 4.082 4.170 0.001 0.000 0.262 63 I C 2.224 178.420 176.117 0.131 0.000 1.131 63 I CA 0.929 62.173 61.300 -0.093 0.000 1.453 63 I CB 0.087 37.884 38.000 -0.339 0.000 1.161 63 I HN 0.071 nan 8.210 nan 0.000 0.444 64 C N 1.493 120.826 119.300 0.055 0.000 2.491 64 C HA -0.045 4.415 4.460 0.001 0.000 0.277 64 C C 2.520 177.569 174.990 0.099 0.000 1.455 64 C CA 0.349 59.415 59.018 0.079 0.000 1.758 64 C CB -1.261 26.494 27.740 0.025 0.000 1.745 64 C HN 0.555 nan 8.230 nan 0.000 0.558 65 E N 1.948 122.220 120.200 0.121 0.000 2.196 65 E HA -0.333 4.017 4.350 0.001 0.000 0.222 65 E C 1.196 177.845 176.600 0.081 0.000 1.072 65 E CA 2.845 59.307 56.400 0.103 0.000 0.902 65 E CB -0.103 29.688 29.700 0.151 0.000 0.780 65 E HN 0.775 nan 8.360 nan 0.000 0.467 66 D N -3.101 117.360 120.400 0.101 0.000 2.092 66 D HA -0.150 4.490 4.640 0.001 0.000 0.775 66 D C 1.045 177.386 176.300 0.069 0.000 0.464 66 D CA 2.111 56.149 54.000 0.064 0.000 1.291 66 D CB -0.763 40.064 40.800 0.045 0.000 1.165 66 D HN 0.239 nan 8.370 nan 0.000 0.355 67 S N 0.153 115.925 115.700 0.120 0.000 3.362 67 S HA -0.413 4.058 4.470 0.001 0.000 0.532 67 S C 1.249 175.891 174.600 0.069 0.000 0.975 67 S CA 3.367 61.695 58.200 0.214 0.000 3.357 67 S CB -3.151 60.345 63.200 0.492 0.000 2.288 67 S HN 1.490 nan 8.310 nan 0.000 0.501 68 T N 2.356 116.894 114.554 -0.026 0.000 2.836 68 T HA 0.334 4.684 4.350 0.001 0.000 0.343 68 T C 0.370 174.928 174.700 -0.237 0.000 1.081 68 T CA 0.648 62.627 62.100 -0.201 0.000 1.126 68 T CB -0.342 68.430 68.868 -0.160 0.000 1.060 68 T HN 0.743 nan 8.240 nan 0.000 0.536 69 L N 1.113 122.146 121.223 -0.317 0.000 2.183 69 L HA 0.886 5.226 4.340 0.001 0.000 0.253 69 L C -0.182 176.533 176.870 -0.259 0.000 1.048 69 L CA -1.380 53.236 54.840 -0.374 0.000 0.890 69 L CB 1.764 43.513 42.059 -0.516 0.000 1.476 69 L HN 0.678 nan 8.230 nan 0.000 0.455 90 I N 2.741 123.162 120.570 -0.248 0.000 2.474 90 I HA 0.448 4.619 4.170 0.001 0.000 0.294 90 I C 0.106 175.925 176.117 -0.497 0.000 1.005 90 I CA -0.702 60.402 61.300 -0.327 0.000 1.113 90 I CB 1.528 39.337 38.000 -0.318 0.000 1.289 90 I HN 0.514 nan 8.210 nan 0.000 0.436 91 S N 4.927 120.313 115.700 -0.524 0.000 2.548 91 S HA 0.746 5.217 4.470 0.001 0.000 0.276 91 S C -1.008 173.308 174.600 -0.472 0.000 1.129 91 S CA -0.746 57.153 58.200 -0.501 0.000 0.931 91 S CB 1.452 64.504 63.200 -0.247 0.000 1.068 91 S HN 0.276 nan 8.310 nan 0.000 0.480 92 F N 1.261 121.213 119.950 0.002 0.000 2.422 92 F HA 0.768 5.295 4.527 0.001 0.000 0.333 92 F C 1.224 177.013 175.800 -0.018 0.000 1.095 92 F CA -0.466 57.540 58.000 0.009 0.000 1.038 92 F CB 1.810 40.860 39.000 0.082 0.000 1.156 92 F HN 0.929 nan 8.300 nan 0.000 0.483 93 G N 1.524 110.409 108.800 0.142 0.000 3.414 93 G HA2 0.295 4.255 3.960 0.001 0.000 0.196 93 G HA3 0.295 4.255 3.960 0.001 0.000 0.196 93 G C -0.660 174.228 174.900 -0.020 0.000 1.486 93 G CA -0.715 44.407 45.100 0.038 0.000 0.811 93 G HN 0.389 nan 8.290 nan 0.000 0.704 94 K N 0.080 120.445 120.400 -0.058 0.000 2.355 94 K HA 0.297 4.617 4.320 0.001 0.000 0.270 94 K C -1.029 175.449 176.600 -0.203 0.000 1.003 94 K CA 0.114 56.350 56.287 -0.084 0.000 0.957 94 K CB 1.427 33.930 32.500 0.006 0.000 0.939 94 K HN 0.254 nan 8.250 nan 0.000 0.482 95 I N 4.180 124.661 120.570 -0.148 0.000 2.382 95 I HA 0.190 4.360 4.170 0.001 0.000 0.285 95 I C -1.003 175.119 176.117 0.009 0.000 1.007 95 I CA -0.608 60.592 61.300 -0.167 0.000 1.142 95 I CB 0.433 38.309 38.000 -0.206 0.000 1.289 95 I HN 0.506 nan 8.210 nan 0.000 0.453 96 Y N 5.714 126.024 120.300 0.017 0.000 2.299 96 Y HA 0.508 5.059 4.550 0.000 0.000 0.326 96 Y C 0.028 175.965 175.900 0.062 0.000 1.164 96 Y CA -1.315 56.800 58.100 0.025 0.000 1.234 96 Y CB 1.376 39.865 38.460 0.049 0.000 1.219 96 Y HN 0.135 nan 8.280 nan 0.000 0.497 97 V N 2.725 122.746 119.914 0.179 0.000 2.448 97 V HA 0.218 4.339 4.120 0.001 0.000 0.295 97 V C 0.088 176.236 176.094 0.091 0.000 1.025 97 V CA -0.952 61.422 62.300 0.122 0.000 0.859 97 V CB 1.406 33.248 31.823 0.031 0.000 0.988 97 V HN 0.915 nan 8.190 nan 0.000 0.431 98 T N 2.786 117.414 114.554 0.122 0.000 2.729 98 T HA 0.352 4.702 4.350 0.001 0.000 0.298 98 T C -0.012 174.659 174.700 -0.049 0.000 1.013 98 T CA -0.741 61.378 62.100 0.031 0.000 0.957 98 T CB 0.711 69.611 68.868 0.054 0.000 1.130 98 T HN 0.458 nan 8.240 nan 0.000 0.526 99 K N 1.424 121.764 120.400 -0.100 0.000 2.098 99 K HA 0.379 4.699 4.320 0.001 0.000 0.258 99 K C -2.651 173.799 176.600 -0.250 0.000 0.973 99 K CA -2.172 53.960 56.287 -0.258 0.000 0.898 99 K CB 1.033 33.392 32.500 -0.236 0.000 1.057 99 K HN 0.339 nan 8.250 nan 0.000 0.447 100 P HA 0.104 nan 4.420 nan 0.000 0.266 100 P C -0.692 176.586 177.300 -0.036 0.000 1.195 100 P CA 0.390 63.316 63.100 -0.290 0.000 0.768 100 P CB 0.536 31.859 31.700 -0.628 0.000 0.838 101 M N 0.737 120.346 119.600 0.015 0.000 3.008 101 M HA 0.497 4.977 4.480 0.001 0.000 0.271 101 M C -1.324 175.030 176.300 0.090 0.000 1.265 101 M CA -0.846 54.496 55.300 0.071 0.000 0.817 101 M CB 1.921 34.547 32.600 0.043 0.000 1.638 101 M HN -0.132 nan 8.290 nan 0.000 0.479 102 V N 0.932 120.911 119.914 0.109 0.000 2.841 102 V HA 0.481 4.602 4.120 0.001 0.000 0.310 102 V C -1.334 174.807 176.094 0.079 0.000 1.090 102 V CA -0.876 61.486 62.300 0.104 0.000 0.930 102 V CB 2.448 34.351 31.823 0.133 0.000 1.014 102 V HN 0.791 nan 8.190 nan 0.000 0.425 103 N N 2.951 121.686 118.700 0.058 0.000 2.645 103 N HA 0.232 4.972 4.740 0.001 0.000 0.233 103 N C 0.038 175.570 175.510 0.037 0.000 1.058 103 N CA -0.249 52.826 53.050 0.041 0.000 0.942 103 N CB 0.571 39.078 38.487 0.033 0.000 1.210 103 N HN 0.541 nan 8.380 nan 0.000 0.512 104 E N 0.717 120.936 120.200 0.031 0.000 2.323 104 E HA -0.006 4.345 4.350 0.001 0.000 0.313 104 E C -0.159 176.448 176.600 0.011 0.000 1.236 104 E CA -0.057 56.351 56.400 0.013 0.000 1.333 104 E CB -0.568 29.125 29.700 -0.011 0.000 1.138 104 E HN 0.442 nan 8.360 nan 0.000 0.492 105 S N 1.753 117.462 115.700 0.016 0.000 2.810 105 S HA -0.157 4.314 4.470 0.001 0.000 0.329 105 S C 0.365 174.971 174.600 0.010 0.000 1.231 105 S CA -0.207 58.002 58.200 0.015 0.000 1.042 105 S CB 0.214 63.424 63.200 0.016 0.000 0.756 105 S HN 0.535 nan 8.310 nan 0.000 0.504 106 D N 0.928 121.335 120.400 0.011 0.000 3.133 106 D HA 0.030 4.670 4.640 0.001 0.000 0.239 106 D C 0.133 176.438 176.300 0.007 0.000 1.136 106 D CA 2.029 56.035 54.000 0.009 0.000 0.898 106 D CB -1.214 39.590 40.800 0.006 0.000 0.959 106 D HN 1.296 nan 8.370 nan 0.000 0.415 107 G N -1.148 107.657 108.800 0.009 0.000 2.340 107 G HA2 0.458 4.418 3.960 0.001 0.000 0.298 107 G HA3 0.458 4.418 3.960 0.001 0.000 0.298 107 G C -0.277 174.633 174.900 0.017 0.000 1.498 107 G CA -0.310 44.794 45.100 0.008 0.000 0.847 107 G HN 0.564 nan 8.290 nan 0.000 0.594 108 V N -0.113 119.815 119.914 0.024 0.000 3.441 108 V HA 0.510 4.630 4.120 0.001 0.000 0.300 108 V C 1.182 177.309 176.094 0.056 0.000 1.091 108 V CA -0.094 62.230 62.300 0.039 0.000 1.099 108 V CB 0.848 32.702 31.823 0.051 0.000 1.138 108 V HN 0.920 nan 8.190 nan 0.000 0.471 109 T N 0.551 115.139 114.554 0.057 0.000 2.849 109 T HA 0.452 4.802 4.350 0.001 0.000 0.284 109 T C -0.553 174.230 174.700 0.139 0.000 1.004 109 T CA -0.010 62.135 62.100 0.076 0.000 1.021 109 T CB 0.521 69.406 68.868 0.028 0.000 1.013 109 T HN 0.936 nan 8.240 nan 0.000 0.527 110 H N -0.210 118.870 119.070 0.016 0.000 3.224 110 H HA 0.488 5.045 4.556 0.002 0.000 0.331 110 H C -0.601 174.740 175.328 0.022 0.000 1.002 110 H CA -0.472 55.590 56.048 0.024 0.000 1.473 110 H CB 0.479 30.263 29.762 0.037 0.000 1.830 110 H HN 0.849 nan 8.280 nan 0.000 0.485 111 A N 5.357 128.019 122.820 -0.264 0.000 2.526 111 A HA 0.191 4.511 4.320 0.001 0.000 0.287 111 A C -0.070 177.304 177.584 -0.351 0.000 1.232 111 A CA -0.078 51.813 52.037 -0.243 0.000 0.900 111 A CB -1.020 17.798 19.000 -0.304 0.000 1.077 111 A HN 0.674 nan 8.150 nan 0.000 0.535 112 L N 4.195 125.396 121.223 -0.037 0.000 2.313 112 L HA 0.521 4.861 4.340 0.001 0.000 0.282 112 L C -0.611 176.364 176.870 0.175 0.000 1.092 112 L CA -0.117 54.800 54.840 0.127 0.000 0.831 112 L CB 0.110 42.321 42.059 0.254 0.000 1.159 112 L HN 0.602 nan 8.230 nan 0.000 0.442 113 Y N 6.196 126.614 120.300 0.197 0.000 2.374 113 Y HA 0.364 4.914 4.550 -0.001 0.000 0.322 113 Y C -1.480 174.396 175.900 -0.040 0.000 1.275 113 Y CA -1.469 56.712 58.100 0.134 0.000 1.307 113 Y CB 0.521 38.971 38.460 -0.017 0.000 1.282 113 Y HN 0.557 nan 8.280 nan 0.000 0.509 114 P HA -0.217 nan 4.420 nan 0.000 0.213 114 P C 1.310 178.544 177.300 -0.111 0.000 1.170 114 P CA 1.456 64.310 63.100 -0.411 0.000 0.898 114 P CB 0.249 31.708 31.700 -0.401 0.000 0.787 115 Q N 0.157 119.941 119.800 -0.026 0.000 2.248 115 Q HA -0.231 4.109 4.340 0.001 0.000 0.208 115 Q C 2.052 178.080 176.000 0.047 0.000 0.984 115 Q CA 1.791 57.599 55.803 0.009 0.000 0.875 115 Q CB -0.899 27.837 28.738 -0.004 0.000 0.910 115 Q HN 0.355 nan 8.270 nan 0.000 0.433 116 E N -1.356 118.897 120.200 0.087 0.000 2.072 116 E HA -0.121 4.230 4.350 0.001 0.000 0.191 116 E C 1.566 178.238 176.600 0.120 0.000 0.985 116 E CA 1.103 57.576 56.400 0.122 0.000 0.801 116 E CB -0.213 29.600 29.700 0.189 0.000 0.750 116 E HN 0.378 nan 8.360 nan 0.000 0.452 117 A N 0.651 123.534 122.820 0.105 0.000 2.021 117 A HA 0.017 4.338 4.320 0.001 0.000 0.216 117 A C 2.133 179.781 177.584 0.108 0.000 1.163 117 A CA 0.627 52.737 52.037 0.121 0.000 0.676 117 A CB -0.276 18.813 19.000 0.148 0.000 0.818 117 A HN 0.135 nan 8.150 nan 0.000 0.453 118 R N -0.616 119.932 120.500 0.080 0.000 2.081 118 R HA -0.024 4.317 4.340 0.001 0.000 0.235 118 R C 1.709 178.078 176.300 0.115 0.000 1.131 118 R CA 1.440 57.595 56.100 0.091 0.000 0.960 118 R CB -0.301 30.042 30.300 0.071 0.000 0.856 118 R HN 0.519 nan 8.270 nan 0.000 0.436 119 L N -0.455 120.838 121.223 0.116 0.000 2.313 119 L HA -0.029 4.311 4.340 0.001 0.000 0.214 119 L C 1.891 178.913 176.870 0.252 0.000 1.119 119 L CA 0.950 55.870 54.840 0.133 0.000 0.809 119 L CB 0.038 42.148 42.059 0.085 0.000 0.933 119 L HN 0.044 nan 8.230 nan 0.000 0.449 120 R N -0.225 120.427 120.500 0.254 0.000 2.432 120 R HA 0.156 4.496 4.340 0.001 0.000 0.260 120 R C -0.121 176.269 176.300 0.150 0.000 0.935 120 R CA -0.103 56.199 56.100 0.337 0.000 1.080 120 R CB 0.068 30.496 30.300 0.213 0.000 1.155 120 R HN 0.283 nan 8.270 nan 0.000 0.531 121 N N 1.297 120.086 118.700 0.147 0.000 2.707 121 N HA -0.199 4.541 4.740 0.001 0.000 0.253 121 N C -0.865 174.640 175.510 -0.009 0.000 0.998 121 N CA 0.264 53.336 53.050 0.036 0.000 0.751 121 N CB -0.931 37.538 38.487 -0.030 0.000 0.920 121 N HN 0.198 nan 8.380 nan 0.000 0.539 122 L N -0.900 120.354 121.223 0.052 0.000 2.416 122 L HA 0.539 4.880 4.340 0.001 0.000 0.263 122 L C 0.863 177.799 176.870 0.109 0.000 1.065 122 L CA -0.829 54.052 54.840 0.068 0.000 0.798 122 L CB 1.065 43.182 42.059 0.098 0.000 1.267 122 L HN -0.031 nan 8.230 nan 0.000 0.467 123 T N -0.766 113.861 114.554 0.122 0.000 2.829 123 T HA 0.239 4.589 4.350 0.001 0.000 0.282 123 T C -0.925 173.908 174.700 0.222 0.000 0.990 123 T CA -0.132 62.062 62.100 0.157 0.000 1.028 123 T CB 0.793 69.733 68.868 0.120 0.000 0.951 123 T HN 0.296 nan 8.240 nan 0.000 0.460 124 Y N 3.873 124.230 120.300 0.094 0.000 2.700 124 Y HA 0.461 5.012 4.550 0.000 0.000 0.333 124 Y C -0.121 175.830 175.900 0.085 0.000 1.036 124 Y CA -1.119 57.027 58.100 0.078 0.000 1.287 124 Y CB -0.139 38.351 38.460 0.050 0.000 1.132 124 Y HN 0.630 nan 8.280 nan 0.000 0.510 125 S N 2.717 118.373 115.700 -0.074 0.000 2.668 125 S HA 0.571 5.041 4.470 0.001 0.000 0.277 125 S C -0.676 173.894 174.600 -0.049 0.000 1.170 125 S CA -0.867 57.304 58.200 -0.048 0.000 0.994 125 S CB 1.014 64.261 63.200 0.079 0.000 1.051 125 S HN 0.388 nan 8.310 nan 0.000 0.484 126 S N 1.984 117.643 115.700 -0.069 0.000 2.589 126 S HA 0.595 5.065 4.470 0.001 0.000 0.265 126 S C 0.921 175.599 174.600 0.131 0.000 1.342 126 S CA -0.032 58.166 58.200 -0.004 0.000 1.005 126 S CB 0.342 63.532 63.200 -0.017 0.000 0.909 126 S HN 1.085 nan 8.310 nan 0.000 0.555 127 G N 0.310 109.232 108.800 0.203 0.000 2.448 127 G HA2 0.555 4.515 3.960 0.001 0.000 0.285 127 G HA3 0.555 4.515 3.960 0.001 0.000 0.285 127 G C -0.992 174.144 174.900 0.392 0.000 1.176 127 G CA -0.677 44.656 45.100 0.389 0.000 0.852 127 G HN 0.548 nan 8.290 nan 0.000 0.530 128 L N 0.501 121.894 121.223 0.283 0.000 2.317 128 L HA 0.605 4.946 4.340 0.001 0.000 0.281 128 L C -0.950 175.850 176.870 -0.118 0.000 1.024 128 L CA -0.537 54.366 54.840 0.105 0.000 0.810 128 L CB 1.601 43.648 42.059 -0.020 0.000 1.240 128 L HN 0.346 nan 8.230 nan 0.000 0.427 129 F N 2.146 122.137 119.950 0.069 0.000 2.581 129 F HA 0.657 5.184 4.527 -0.000 0.000 0.311 129 F C -0.392 175.275 175.800 -0.223 0.000 1.113 129 F CA -0.879 57.128 58.000 0.010 0.000 0.935 129 F CB 2.343 41.420 39.000 0.128 0.000 1.232 129 F HN 0.123 nan 8.300 nan 0.000 0.445 130 V N -1.022 118.835 119.914 -0.096 0.000 2.841 130 V HA 0.559 4.680 4.120 0.001 0.000 0.310 130 V C -0.895 175.121 176.094 -0.130 0.000 1.090 130 V CA -0.998 61.179 62.300 -0.204 0.000 0.930 130 V CB 2.004 33.742 31.823 -0.141 0.000 1.014 130 V HN 0.629 nan 8.190 nan 0.000 0.425 131 D N 2.126 122.421 120.400 -0.174 0.000 2.350 131 D HA 0.425 5.065 4.640 0.001 0.000 0.249 131 D C -0.702 175.628 176.300 0.050 0.000 1.119 131 D CA 0.183 54.149 54.000 -0.055 0.000 0.886 131 D CB 2.338 43.102 40.800 -0.060 0.000 1.195 131 D HN 0.469 nan 8.370 nan 0.000 0.437 132 V N 3.717 123.669 119.914 0.063 0.000 2.340 132 V HA 0.090 4.210 4.120 0.001 0.000 0.277 132 V C -0.227 175.863 176.094 -0.006 0.000 1.017 132 V CA -0.828 61.511 62.300 0.066 0.000 0.820 132 V CB 1.280 33.187 31.823 0.141 0.000 1.028 132 V HN 0.340 nan 8.190 nan 0.000 0.436 133 K N 3.703 124.072 120.400 -0.052 0.000 2.349 133 K HA 0.262 4.582 4.320 0.001 0.000 0.288 133 K C 0.321 176.865 176.600 -0.093 0.000 1.058 133 K CA -0.168 56.082 56.287 -0.061 0.000 0.953 133 K CB 0.698 33.159 32.500 -0.066 0.000 0.997 133 K HN 0.296 nan 8.250 nan 0.000 0.477 134 K N 4.866 125.231 120.400 -0.059 0.000 2.265 134 K HA 0.105 4.425 4.320 0.001 0.000 0.242 134 K C -0.715 175.851 176.600 -0.057 0.000 1.137 134 K CA -0.269 55.983 56.287 -0.059 0.000 1.082 134 K CB 0.125 32.612 32.500 -0.022 0.000 1.731 134 K HN 0.504 nan 8.250 nan 0.000 0.392 135 R N 1.159 121.605 120.500 -0.090 0.000 2.242 135 R HA 0.025 4.366 4.340 0.001 0.000 0.334 135 R C 0.355 176.603 176.300 -0.088 0.000 1.071 135 R CA 0.106 56.150 56.100 -0.092 0.000 0.922 135 R CB 0.713 30.936 30.300 -0.129 0.000 1.023 135 R HN 0.185 nan 8.270 nan 0.000 0.458 136 T N 3.679 118.218 114.554 -0.025 0.000 3.379 136 T HA 0.107 4.458 4.350 0.001 0.000 0.274 136 T C 0.456 175.235 174.700 0.131 0.000 1.555 136 T CA -0.141 61.990 62.100 0.052 0.000 1.297 136 T CB -0.421 68.477 68.868 0.050 0.000 1.132 136 T HN 0.716 nan 8.240 nan 0.000 0.722 137 Y N 1.549 121.834 120.300 -0.024 0.000 2.683 137 Y HA -0.401 4.150 4.550 0.001 0.000 0.485 137 Y C 0.818 176.710 175.900 -0.014 0.000 1.013 137 Y CA 2.152 60.240 58.100 -0.019 0.000 3.129 137 Y CB -1.177 37.274 38.460 -0.015 0.000 0.959 137 Y HN 0.649 nan 8.280 nan 0.000 0.580 138 E N 0.068 120.369 120.200 0.169 0.000 2.937 138 E HA 0.119 4.469 4.350 0.001 0.000 0.152 138 E C -0.012 176.638 176.600 0.083 0.000 1.769 138 E CA 1.022 57.475 56.400 0.088 0.000 0.688 138 E CB -1.099 28.630 29.700 0.048 0.000 1.091 138 E HN 1.379 nan 8.360 nan 0.000 0.362 139 A N 1.494 124.357 122.820 0.070 0.000 6.458 139 A HA -0.191 4.129 4.320 0.001 0.000 0.279 139 A C 0.759 178.419 177.584 0.126 0.000 2.024 139 A CA 1.360 53.435 52.037 0.063 0.000 0.770 139 A CB -0.818 18.207 19.000 0.042 0.000 1.107 139 A HN 0.944 nan 8.150 nan 0.000 0.396 140 I N -1.416 119.216 120.570 0.102 0.000 4.827 140 I HA 0.319 4.489 4.170 0.001 0.000 0.362 140 I C -0.085 176.094 176.117 0.103 0.000 1.237 140 I CA 1.078 62.469 61.300 0.153 0.000 1.366 140 I CB 0.616 38.652 38.000 0.061 0.000 1.742 140 I HN 0.854 nan 8.210 nan 0.000 0.588 165 V N 4.210 124.344 119.914 0.367 0.000 3.081 165 V HA -0.179 3.942 4.120 0.001 0.000 0.445 165 V C -0.952 175.179 176.094 0.061 0.000 0.682 165 V CA 0.102 62.534 62.300 0.220 0.000 1.978 165 V CB -0.895 31.006 31.823 0.129 0.000 2.459 165 V HN 0.717 nan 8.190 nan 0.000 0.491 166 F N 7.123 126.903 119.950 -0.282 0.000 2.390 166 F HA 0.690 5.218 4.527 0.001 0.000 0.361 166 F C 0.302 175.836 175.800 -0.444 0.000 1.124 166 F CA -1.088 56.423 58.000 -0.814 0.000 1.149 166 F CB 0.868 39.469 39.000 -0.666 0.000 1.160 166 F HN 0.370 nan 8.300 nan 0.000 0.501 167 I N 6.624 126.682 120.570 -0.854 0.000 3.010 167 I HA 0.390 4.561 4.170 0.001 0.000 0.330 167 I C 0.533 176.219 176.117 -0.718 0.000 1.334 167 I CA -0.081 60.828 61.300 -0.651 0.000 0.945 167 I CB -0.470 37.290 38.000 -0.401 0.000 2.027 167 I HN 0.797 nan 8.210 nan 0.000 0.564 168 G N 2.537 110.647 108.800 -1.150 0.000 2.661 168 G HA2 -0.143 3.817 3.960 0.001 0.000 0.685 168 G HA3 -0.143 3.817 3.960 0.001 0.000 0.685 168 G C -0.487 174.219 174.900 -0.324 0.000 1.298 168 G CA -0.983 43.706 45.100 -0.686 0.000 0.855 168 G HN 0.344 nan 8.290 nan 0.000 0.560 169 R N -0.425 120.032 120.500 -0.072 0.000 2.409 169 R HA 0.483 4.823 4.340 0.001 0.000 0.313 169 R C -0.704 175.657 176.300 0.102 0.000 0.953 169 R CA -0.869 55.300 56.100 0.115 0.000 0.849 169 R CB 1.563 31.971 30.300 0.180 0.000 1.171 169 R HN 0.589 nan 8.270 nan 0.000 0.458 170 L N 5.953 127.268 121.223 0.154 0.000 2.264 170 L HA 0.446 4.786 4.340 0.001 0.000 0.289 170 L C -2.386 174.608 176.870 0.206 0.000 1.044 170 L CA -1.861 53.105 54.840 0.210 0.000 0.807 170 L CB 1.118 43.358 42.059 0.301 0.000 1.192 170 L HN 0.396 nan 8.230 nan 0.000 0.425 171 P HA 0.033 nan 4.420 nan 0.000 0.264 171 P C -0.991 176.540 177.300 0.384 0.000 1.183 171 P CA 0.385 63.644 63.100 0.265 0.000 0.763 171 P CB 0.242 32.074 31.700 0.221 0.000 0.807 172 I N 3.857 124.525 120.570 0.162 0.000 2.355 172 I HA 0.285 4.455 4.170 0.001 0.000 0.288 172 I C 0.671 176.517 176.117 -0.452 0.000 0.999 172 I CA -0.943 60.307 61.300 -0.084 0.000 1.163 172 I CB 0.980 38.796 38.000 -0.307 0.000 1.316 172 I HN 0.454 nan 8.210 nan 0.000 0.454 173 M N 6.813 125.682 119.600 -1.219 0.000 2.327 173 M HA 0.082 4.563 4.480 0.001 0.000 0.353 173 M C -0.920 174.954 176.300 -0.711 0.000 1.539 173 M CA 0.047 54.426 55.300 -1.534 0.000 1.039 173 M CB 0.274 31.810 32.600 -1.774 0.000 1.967 173 M HN 0.354 nan 8.290 nan 0.000 0.459 174 L N 6.090 126.950 121.223 -0.604 0.000 2.456 174 L HA 0.158 4.498 4.340 0.001 0.000 0.272 174 L C 1.163 177.875 176.870 -0.263 0.000 1.189 174 L CA 0.722 55.353 54.840 -0.348 0.000 0.846 174 L CB 0.323 42.030 42.059 -0.588 0.000 1.111 174 L HN 0.983 nan 8.230 nan 0.000 0.475 175 R N -0.368 120.067 120.500 -0.108 0.000 3.728 175 R HA -0.170 4.170 4.340 0.001 0.000 0.478 175 R C 0.393 176.674 176.300 -0.032 0.000 0.932 175 R CA 1.048 57.119 56.100 -0.049 0.000 1.317 175 R CB -1.666 28.611 30.300 -0.038 0.000 1.987 175 R HN 0.903 nan 8.270 nan 0.000 0.509 176 S N -0.744 114.922 115.700 -0.056 0.000 2.640 176 S HA 0.231 4.701 4.470 0.001 0.000 0.262 176 S C 1.193 175.833 174.600 0.067 0.000 1.232 176 S CA -0.069 58.151 58.200 0.034 0.000 0.988 176 S CB 1.052 64.309 63.200 0.094 0.000 1.034 176 S HN 0.319 nan 8.310 nan 0.000 0.569 177 K N 0.182 120.649 120.400 0.112 0.000 2.097 177 K HA -0.104 4.216 4.320 0.001 0.000 0.206 177 K C 1.710 178.334 176.600 0.039 0.000 1.049 177 K CA 1.641 57.969 56.287 0.068 0.000 0.933 177 K CB -0.387 32.151 32.500 0.064 0.000 0.717 177 K HN 0.695 nan 8.250 nan 0.000 0.442 178 N N -0.217 118.517 118.700 0.056 0.000 2.353 178 N HA -0.037 4.703 4.740 0.001 0.000 0.185 178 N C 0.047 175.482 175.510 -0.124 0.000 1.098 178 N CA -0.092 52.950 53.050 -0.013 0.000 0.872 178 N CB 0.301 38.812 38.487 0.040 0.000 0.970 178 N HN 0.105 nan 8.380 nan 0.000 0.467 179 C N -0.498 118.754 119.300 -0.080 0.000 2.563 179 C HA 0.194 4.655 4.460 0.001 0.000 0.358 179 C C 1.660 176.626 174.990 -0.040 0.000 1.336 179 C CA -0.493 58.468 59.018 -0.096 0.000 2.454 179 C CB -0.390 27.374 27.740 0.040 0.000 2.448 179 C HN 0.531 nan 8.230 nan 0.000 0.670 180 Y N 0.688 121.084 120.300 0.161 0.000 2.286 180 Y HA 0.029 4.580 4.550 0.001 0.000 0.293 180 Y C 2.144 178.126 175.900 0.136 0.000 1.124 180 Y CA 0.974 59.168 58.100 0.157 0.000 1.178 180 Y CB -0.027 38.579 38.460 0.243 0.000 1.010 180 Y HN 0.535 nan 8.280 nan 0.000 0.536 181 L N -0.850 120.532 121.223 0.265 0.000 2.551 181 L HA -0.155 4.185 4.340 0.001 0.000 0.228 181 L C 2.459 179.380 176.870 0.086 0.000 1.153 181 L CA 0.541 55.464 54.840 0.138 0.000 0.851 181 L CB -0.751 41.355 42.059 0.078 0.000 0.959 181 L HN 0.216 nan 8.230 nan 0.000 0.451 182 S N 2.083 117.836 115.700 0.089 0.000 2.412 182 S HA -0.249 4.221 4.470 0.001 0.000 0.246 182 S C 1.335 175.960 174.600 0.041 0.000 1.073 182 S CA 2.570 60.803 58.200 0.055 0.000 1.186 182 S CB -0.030 63.201 63.200 0.053 0.000 1.084 182 S HN 0.739 nan 8.310 nan 0.000 0.434 183 E N 0.083 120.311 120.200 0.047 0.000 2.887 183 E HA 0.644 4.994 4.350 0.001 0.000 0.206 183 E C -0.174 176.441 176.600 0.026 0.000 0.983 183 E CA 0.251 56.669 56.400 0.030 0.000 1.141 183 E CB -0.222 29.495 29.700 0.029 0.000 1.061 183 E HN 0.453 nan 8.360 nan 0.000 0.468 184 A N 1.137 123.974 122.820 0.029 0.000 2.425 184 A HA 0.467 4.787 4.320 0.001 0.000 0.249 184 A C 0.719 178.295 177.584 -0.013 0.000 1.084 184 A CA -0.011 52.035 52.037 0.014 0.000 0.781 184 A CB -0.075 18.937 19.000 0.020 0.000 1.019 184 A HN 0.349 nan 8.150 nan 0.000 0.490 185 T N 0.143 114.687 114.554 -0.016 0.000 2.919 185 T HA 0.190 4.540 4.350 0.001 0.000 0.302 185 T C 0.965 175.638 174.700 -0.045 0.000 1.031 185 T CA 0.167 62.253 62.100 -0.023 0.000 1.127 185 T CB 1.145 70.006 68.868 -0.012 0.000 0.952 185 T HN 0.777 nan 8.240 nan 0.000 0.540 186 E N 1.722 121.887 120.200 -0.058 0.000 2.086 186 E HA -0.266 4.084 4.350 0.001 0.000 0.205 186 E C 1.999 178.560 176.600 -0.065 0.000 1.027 186 E CA 2.014 58.351 56.400 -0.104 0.000 0.830 186 E CB -0.335 29.316 29.700 -0.081 0.000 0.751 186 E HN 0.891 nan 8.360 nan 0.000 0.456 187 S N -0.087 115.639 115.700 0.043 0.000 2.603 187 S HA -0.078 4.393 4.470 0.001 0.000 0.229 187 S C 1.311 175.946 174.600 0.059 0.000 0.972 187 S CA 0.752 59.032 58.200 0.132 0.000 0.935 187 S CB 0.163 63.419 63.200 0.092 0.000 0.769 187 S HN 0.202 nan 8.310 nan 0.000 0.536 188 D N 1.826 122.222 120.400 -0.006 0.000 2.162 188 D HA 0.112 4.753 4.640 0.001 0.000 0.203 188 D C 1.808 178.068 176.300 -0.066 0.000 0.967 188 D CA 0.664 54.641 54.000 -0.038 0.000 0.840 188 D CB -0.185 40.590 40.800 -0.042 0.000 0.972 188 D HN 0.368 nan 8.370 nan 0.000 0.482 189 L N -0.341 120.816 121.223 -0.109 0.000 2.056 189 L HA -0.173 4.167 4.340 0.001 0.000 0.207 189 L C 2.363 179.140 176.870 -0.154 0.000 1.078 189 L CA 0.958 55.695 54.840 -0.171 0.000 0.749 189 L CB -0.428 41.473 42.059 -0.263 0.000 0.901 189 L HN 0.104 nan 8.230 nan 0.000 0.433 190 Y N -0.440 119.816 120.300 -0.073 0.000 2.181 190 Y HA -0.253 4.297 4.550 0.000 0.000 0.288 190 Y C 2.690 178.536 175.900 -0.089 0.000 1.146 190 Y CA 0.833 58.886 58.100 -0.078 0.000 1.164 190 Y CB -0.131 38.285 38.460 -0.073 0.000 0.982 190 Y HN -0.022 nan 8.280 nan 0.000 0.515 191 K N 0.642 121.085 120.400 0.072 0.000 2.113 191 K HA -0.175 4.146 4.320 0.001 0.000 0.208 191 K C 1.625 178.180 176.600 -0.076 0.000 1.047 191 K CA 1.291 57.566 56.287 -0.019 0.000 0.928 191 K CB -0.638 31.832 32.500 -0.051 0.000 0.716 191 K HN 0.363 nan 8.250 nan 0.000 0.446 192 L N 0.658 121.818 121.223 -0.105 0.000 2.627 192 L HA 0.024 4.365 4.340 0.001 0.000 0.233 192 L C 0.120 176.926 176.870 -0.108 0.000 1.144 192 L CA 0.237 54.978 54.840 -0.166 0.000 0.892 192 L CB -0.140 41.798 42.059 -0.201 0.000 1.039 192 L HN 0.150 nan 8.230 nan 0.000 0.442 193 K N 0.636 120.998 120.400 -0.062 0.000 3.096 193 K HA -0.172 4.148 4.320 0.001 0.000 0.266 193 K C -0.482 176.088 176.600 -0.051 0.000 1.043 193 K CA 0.476 56.738 56.287 -0.043 0.000 0.758 193 K CB -1.067 31.406 32.500 -0.045 0.000 1.260 193 K HN 0.206 nan 8.250 nan 0.000 0.481 194 E N 0.537 120.694 120.200 -0.071 0.000 2.244 194 E HA 0.100 4.450 4.350 0.001 0.000 0.260 194 E C -0.629 175.891 176.600 -0.133 0.000 0.884 194 E CA -0.666 55.686 56.400 -0.080 0.000 0.777 194 E CB 1.693 31.349 29.700 -0.074 0.000 1.197 194 E HN 0.319 nan 8.360 nan 0.000 0.416 195 C N 6.409 125.657 119.300 -0.087 0.000 2.592 195 C HA 0.070 4.531 4.460 0.001 0.000 0.408 195 C C -0.590 174.331 174.990 -0.115 0.000 1.436 195 C CA -1.139 57.829 59.018 -0.083 0.000 1.595 195 C CB -0.214 27.520 27.740 -0.010 0.000 2.487 195 C HN 0.575 nan 8.230 nan 0.000 0.610 196 P HA -0.139 nan 4.420 nan 0.000 0.218 196 P C 1.253 178.420 177.300 -0.221 0.000 1.148 196 P CA 1.830 64.733 63.100 -0.329 0.000 0.822 196 P CB -0.092 31.283 31.700 -0.542 0.000 0.784 197 F N 0.704 120.583 119.950 -0.119 0.000 2.146 197 F HA -0.073 4.454 4.527 0.000 0.000 0.298 197 F C 1.248 177.112 175.800 0.107 0.000 1.096 197 F CA 0.765 58.735 58.000 -0.051 0.000 1.275 197 F CB -1.549 37.303 39.000 -0.246 0.000 1.008 197 F HN -0.079 nan 8.300 nan 0.000 0.480 198 D N 1.848 122.422 120.400 0.291 0.000 2.661 198 D HA -0.126 4.514 4.640 0.001 0.000 0.244 198 D C 1.077 177.507 176.300 0.216 0.000 1.196 198 D CA 0.157 54.316 54.000 0.265 0.000 0.881 198 D CB 0.345 41.258 40.800 0.189 0.000 1.141 198 D HN 0.146 nan 8.370 nan 0.000 0.530 199 M N 2.392 122.132 119.600 0.233 0.000 2.494 199 M HA 0.289 4.769 4.480 0.001 0.000 0.232 199 M C 0.885 177.275 176.300 0.149 0.000 1.137 199 M CA 0.326 55.728 55.300 0.169 0.000 1.012 199 M CB -1.044 31.651 32.600 0.158 0.000 1.567 199 M HN 0.357 nan 8.290 nan 0.000 0.486 200 G N 0.999 109.942 108.800 0.237 0.000 2.697 200 G HA2 0.080 4.040 3.960 0.001 0.000 0.240 200 G HA3 0.080 4.040 3.960 0.001 0.000 0.240 200 G C 0.549 175.567 174.900 0.197 0.000 1.346 200 G CA 0.525 45.715 45.100 0.151 0.000 0.887 200 G HN 1.607 nan 8.290 nan 0.000 0.569 201 G N -2.999 105.776 108.800 -0.043 0.000 2.176 201 G HA2 0.088 4.049 3.960 0.001 0.000 0.232 201 G HA3 0.088 4.049 3.960 0.001 0.000 0.232 201 G C 0.450 175.351 174.900 0.002 0.000 0.986 201 G CA 1.386 46.467 45.100 -0.032 0.000 0.643 201 G HN 2.256 nan 8.290 nan 0.000 0.522 202 Y N -1.473 118.705 120.300 -0.204 0.000 2.679 202 Y HA 0.865 5.415 4.550 0.000 0.000 0.331 202 Y C 0.505 176.190 175.900 -0.359 0.000 1.183 202 Y CA -1.926 56.095 58.100 -0.132 0.000 1.290 202 Y CB 0.652 39.103 38.460 -0.015 0.000 1.489 202 Y HN -0.036 nan 8.280 nan 0.000 0.583 203 F N -0.480 119.515 119.950 0.074 0.000 2.732 203 F HA 0.673 5.200 4.527 0.000 0.000 0.394 203 F C -0.671 175.177 175.800 0.080 0.000 1.194 203 F CA -1.337 56.657 58.000 -0.011 0.000 1.127 203 F CB 1.544 40.559 39.000 0.026 0.000 1.470 203 F HN 0.215 nan 8.300 nan 0.000 0.505 204 I N 2.949 123.707 120.570 0.313 0.000 2.540 204 I HA 0.257 4.428 4.170 0.001 0.000 0.280 204 I C -1.525 174.725 176.117 0.221 0.000 1.083 204 I CA -0.214 61.231 61.300 0.242 0.000 1.080 204 I CB 1.317 39.426 38.000 0.183 0.000 1.205 204 I HN 0.193 nan 8.210 nan 0.000 0.459 205 I N 6.271 126.947 120.570 0.177 0.000 2.460 205 I HA 0.295 4.465 4.170 0.001 0.000 0.277 205 I C 0.002 176.171 176.117 0.087 0.000 1.057 205 I CA -0.430 60.946 61.300 0.127 0.000 1.179 205 I CB 0.348 38.410 38.000 0.104 0.000 1.329 205 I HN 0.623 nan 8.210 nan 0.000 0.478 206 N N 4.472 123.221 118.700 0.081 0.000 2.746 206 N HA -0.171 4.569 4.740 0.001 0.000 0.250 206 N C 1.067 176.617 175.510 0.068 0.000 1.055 206 N CA 0.902 53.984 53.050 0.052 0.000 0.699 206 N CB -1.236 37.263 38.487 0.020 0.000 0.919 206 N HN 1.046 nan 8.380 nan 0.000 0.548 207 G N -1.087 107.770 108.800 0.096 0.000 2.180 207 G HA2 -0.336 3.625 3.960 0.001 0.000 0.263 207 G HA3 -0.336 3.625 3.960 0.001 0.000 0.263 207 G C -0.005 174.957 174.900 0.102 0.000 0.989 207 G CA 0.899 46.063 45.100 0.107 0.000 0.692 207 G HN 0.900 nan 8.290 nan 0.000 0.526 208 S N 0.137 115.896 115.700 0.098 0.000 2.498 208 S HA 0.537 5.007 4.470 0.001 0.000 0.317 208 S C 0.325 175.002 174.600 0.127 0.000 1.090 208 S CA -0.524 57.728 58.200 0.087 0.000 1.089 208 S CB 0.784 64.017 63.200 0.055 0.000 0.997 208 S HN 0.408 nan 8.310 nan 0.000 0.470 209 E N 3.181 123.463 120.200 0.137 0.000 2.398 209 E HA 0.242 4.592 4.350 0.001 0.000 0.263 209 E C -0.444 176.260 176.600 0.173 0.000 1.046 209 E CA -0.168 56.373 56.400 0.236 0.000 0.908 209 E CB 0.481 30.265 29.700 0.139 0.000 0.963 209 E HN 0.288 nan 8.360 nan 0.000 0.431 210 K N 1.473 122.038 120.400 0.274 0.000 2.535 210 K HA 0.346 4.666 4.320 0.001 0.000 0.250 210 K C -1.354 175.412 176.600 0.276 0.000 0.948 210 K CA -0.736 55.676 56.287 0.208 0.000 0.796 210 K CB 2.191 34.808 32.500 0.196 0.000 1.216 210 K HN 0.230 nan 8.250 nan 0.000 0.432 211 V N 4.245 124.268 119.914 0.182 0.000 2.370 211 V HA 0.350 4.471 4.120 0.001 0.000 0.279 211 V C 0.402 176.585 176.094 0.147 0.000 1.029 211 V CA -0.897 61.531 62.300 0.213 0.000 0.870 211 V CB 1.299 33.274 31.823 0.253 0.000 0.984 211 V HN 0.571 nan 8.190 nan 0.000 0.451 212 L N 5.888 127.191 121.223 0.133 0.000 2.360 212 L HA 0.356 4.696 4.340 0.001 0.000 0.276 212 L C -0.122 176.718 176.870 -0.051 0.000 1.121 212 L CA -0.065 54.751 54.840 -0.039 0.000 0.845 212 L CB 0.617 42.659 42.059 -0.028 0.000 1.143 212 L HN 0.449 nan 8.230 nan 0.000 0.452 213 I N 3.579 124.069 120.570 -0.133 0.000 2.342 213 I HA 0.214 4.384 4.170 0.001 0.000 0.291 213 I C 0.790 176.833 176.117 -0.123 0.000 1.010 213 I CA -0.489 60.740 61.300 -0.119 0.000 1.308 213 I CB 1.349 39.264 38.000 -0.141 0.000 1.400 213 I HN 0.619 nan 8.210 nan 0.000 0.488 214 A N 7.668 130.441 122.820 -0.079 0.000 2.583 214 A HA -0.010 4.310 4.320 0.001 0.000 0.249 214 A C 0.391 177.933 177.584 -0.070 0.000 1.035 214 A CA 0.116 52.117 52.037 -0.060 0.000 0.777 214 A CB -0.213 18.765 19.000 -0.036 0.000 0.942 214 A HN 0.665 nan 8.150 nan 0.000 0.516 215 Q N 1.516 121.275 119.800 -0.069 0.000 2.241 215 Q HA 0.352 4.692 4.340 0.001 0.000 0.254 215 Q C -0.151 175.834 176.000 -0.024 0.000 0.917 215 Q CA -0.157 55.615 55.803 -0.051 0.000 0.919 215 Q CB 1.781 30.485 28.738 -0.056 0.000 1.237 215 Q HN 0.864 nan 8.270 nan 0.000 0.434 216 E N 2.021 122.215 120.200 -0.010 0.000 2.191 216 E HA 0.543 4.894 4.350 0.001 0.000 0.274 216 E C -0.986 175.617 176.600 0.004 0.000 0.948 216 E CA -0.625 55.776 56.400 0.000 0.000 0.802 216 E CB 1.012 30.736 29.700 0.041 0.000 1.137 216 E HN 0.565 nan 8.360 nan 0.000 0.397 217 R N 1.014 121.507 120.500 -0.011 0.000 2.692 217 R HA 0.348 4.688 4.340 0.001 0.000 0.269 217 R C -1.219 175.071 176.300 -0.016 0.000 1.030 217 R CA -0.844 55.256 56.100 0.001 0.000 0.882 217 R CB 0.969 31.275 30.300 0.010 0.000 1.250 217 R HN 0.287 nan 8.270 nan 0.000 0.465 218 S N 0.606 116.309 115.700 0.006 0.000 2.549 218 S HA 0.476 4.946 4.470 0.001 0.000 0.286 218 S C 0.291 174.887 174.600 -0.008 0.000 1.314 218 S CA 0.118 58.321 58.200 0.005 0.000 1.062 218 S CB 0.116 63.340 63.200 0.040 0.000 0.865 218 S HN 0.753 nan 8.310 nan 0.000 0.498 219 A N 4.037 126.837 122.820 -0.034 0.000 2.466 219 A HA 0.553 4.873 4.320 0.001 0.000 0.238 219 A C 0.887 178.471 177.584 -0.000 0.000 1.074 219 A CA 0.085 52.099 52.037 -0.038 0.000 0.774 219 A CB -0.275 18.672 19.000 -0.088 0.000 1.015 219 A HN 1.004 nan 8.150 nan 0.000 0.498 220 G N -0.442 108.360 108.800 0.003 0.000 2.528 220 G HA2 0.419 4.379 3.960 0.001 0.000 0.289 220 G HA3 0.419 4.379 3.960 0.001 0.000 0.289 220 G C 0.229 175.130 174.900 0.002 0.000 1.192 220 G CA 0.045 45.146 45.100 0.001 0.000 0.921 220 G HN 1.011 nan 8.290 nan 0.000 0.512 221 N N -2.016 116.658 118.700 -0.045 0.000 2.828 221 N HA -0.171 4.570 4.740 0.001 0.000 0.248 221 N C 0.046 175.616 175.510 0.101 0.000 1.044 221 N CA 1.222 54.212 53.050 -0.100 0.000 0.851 221 N CB -1.328 37.015 38.487 -0.241 0.000 1.136 221 N HN 0.576 nan 8.380 nan 0.000 0.572 222 I N 0.152 120.798 120.570 0.126 0.000 2.525 222 I HA 0.390 4.560 4.170 0.001 0.000 0.301 222 I C 0.728 176.922 176.117 0.129 0.000 0.992 222 I CA -1.081 60.318 61.300 0.165 0.000 1.162 222 I CB 2.038 40.112 38.000 0.124 0.000 1.332 222 I HN -0.163 nan 8.210 nan 0.000 0.458 223 V N 5.594 125.591 119.914 0.138 0.000 2.509 223 V HA 0.451 4.571 4.120 0.001 0.000 0.284 223 V C -0.567 175.505 176.094 -0.038 0.000 1.047 223 V CA 0.119 62.466 62.300 0.078 0.000 0.952 223 V CB 1.369 33.278 31.823 0.144 0.000 0.988 223 V HN 0.858 nan 8.190 nan 0.000 0.469 224 Q N 4.053 123.768 119.800 -0.141 0.000 2.379 224 Q HA 0.653 4.994 4.340 0.001 0.000 0.278 224 Q C -1.680 173.958 176.000 -0.604 0.000 1.068 224 Q CA -0.777 54.804 55.803 -0.370 0.000 0.816 224 Q CB 2.825 31.309 28.738 -0.425 0.000 1.387 224 Q HN 0.709 nan 8.270 nan 0.000 0.413 225 V N 1.773 121.285 119.914 -0.670 0.000 2.459 225 V HA 0.577 4.697 4.120 0.001 0.000 0.295 225 V C -0.921 174.776 176.094 -0.662 0.000 1.029 225 V CA -0.573 61.408 62.300 -0.531 0.000 0.874 225 V CB 0.936 32.624 31.823 -0.226 0.000 0.985 225 V HN 0.629 nan 8.190 nan 0.000 0.438 226 F N 2.396 122.316 119.950 -0.049 0.000 2.610 226 F HA 0.424 4.952 4.527 0.001 0.000 0.355 226 F C 0.559 176.257 175.800 -0.170 0.000 1.140 226 F CA -0.966 56.982 58.000 -0.087 0.000 1.037 226 F CB 1.598 40.573 39.000 -0.042 0.000 1.287 226 F HN 0.347 nan 8.300 nan 0.000 0.457 227 K N 4.373 124.685 120.400 -0.145 0.000 2.319 227 K HA 0.034 4.355 4.320 0.001 0.000 0.277 227 K C 0.232 176.769 176.600 -0.105 0.000 1.111 227 K CA 0.238 56.303 56.287 -0.370 0.000 1.093 227 K CB 0.417 32.688 32.500 -0.381 0.000 0.910 227 K HN 0.559 nan 8.250 nan 0.000 0.452 228 K N 1.436 121.812 120.400 -0.040 0.000 2.180 228 K HA 0.167 4.488 4.320 0.001 0.000 0.251 228 K C 0.392 176.983 176.600 -0.015 0.000 1.014 228 K CA -0.427 55.856 56.287 -0.007 0.000 0.913 228 K CB 0.694 33.197 32.500 0.006 0.000 1.008 228 K HN 0.637 nan 8.250 nan 0.000 0.490 229 A N 0.954 123.764 122.820 -0.017 0.000 2.577 229 A HA 0.031 4.351 4.320 0.001 0.000 0.233 229 A C 1.124 178.704 177.584 -0.007 0.000 1.076 229 A CA 1.022 53.050 52.037 -0.016 0.000 0.767 229 A CB -0.048 18.942 19.000 -0.018 0.000 1.017 229 A HN 0.870 nan 8.150 nan 0.000 0.511 230 A N 1.128 123.945 122.820 -0.005 0.000 1.968 230 A HA 0.187 4.507 4.320 0.001 0.000 0.217 230 A C -1.078 176.507 177.584 0.002 0.000 1.169 230 A CA 1.315 53.353 52.037 0.002 0.000 0.638 230 A CB -0.988 18.014 19.000 0.003 0.000 0.812 230 A HN 0.693 nan 8.150 nan 0.000 0.446 231 P HA 0.395 nan 4.420 nan 0.000 0.231 231 P C -0.937 176.359 177.300 -0.006 0.000 1.772 231 P CA -0.021 63.078 63.100 -0.001 0.000 1.167 231 P CB 0.598 32.298 31.700 -0.000 0.000 1.691 232 S N 2.569 118.262 115.700 -0.011 0.000 2.552 232 S HA 0.540 5.010 4.470 0.001 0.000 0.272 232 S C -2.318 172.256 174.600 -0.043 0.000 1.150 232 S CA -1.065 57.119 58.200 -0.026 0.000 0.849 232 S CB 1.618 64.798 63.200 -0.033 0.000 1.113 232 S HN 0.012 nan 8.310 nan 0.000 0.458 233 P HA 0.110 nan 4.420 nan 0.000 0.220 233 P C 0.527 177.696 177.300 -0.219 0.000 1.148 233 P CA 0.769 63.803 63.100 -0.110 0.000 0.803 233 P CB -0.337 31.291 31.700 -0.120 0.000 0.782 234 I N -1.746 118.674 120.570 -0.251 0.000 2.359 234 I HA 0.305 4.475 4.170 0.001 0.000 0.294 234 I C 1.450 177.538 176.117 -0.049 0.000 0.987 234 I CA -0.485 60.668 61.300 -0.245 0.000 1.225 234 I CB 1.533 39.351 38.000 -0.303 0.000 1.366 234 I HN -0.186 nan 8.210 nan 0.000 0.466 235 S N 4.554 120.272 115.700 0.030 0.000 2.348 235 S HA -0.004 4.467 4.470 0.001 0.000 0.219 235 S C 0.377 175.223 174.600 0.410 0.000 1.033 235 S CA 1.054 59.370 58.200 0.194 0.000 0.974 235 S CB -0.082 63.200 63.200 0.136 0.000 0.868 235 S HN 0.815 nan 8.310 nan 0.000 0.459 236 H N -1.269 117.799 119.070 -0.002 0.000 2.930 236 H HA 0.708 5.264 4.556 0.001 0.000 0.371 236 H C -1.409 173.933 175.328 0.024 0.000 1.169 236 H CA -0.582 55.476 56.048 0.016 0.000 1.157 236 H CB 1.927 31.688 29.762 -0.001 0.000 1.789 236 H HN 0.092 nan 8.280 nan 0.000 0.547 237 V N 1.036 121.036 119.914 0.144 0.000 2.709 237 V HA 0.746 4.866 4.120 0.001 0.000 0.308 237 V C -0.312 175.813 176.094 0.051 0.000 1.062 237 V CA -0.906 61.463 62.300 0.114 0.000 0.901 237 V CB 1.841 33.747 31.823 0.138 0.000 1.003 237 V HN 0.973 nan 8.190 nan 0.000 0.425 238 A N 3.692 126.529 122.820 0.028 0.000 2.292 238 A HA 0.838 5.159 4.320 0.001 0.000 0.319 238 A C -0.365 177.224 177.584 0.009 0.000 1.206 238 A CA -0.448 51.565 52.037 -0.041 0.000 0.835 238 A CB 0.714 19.689 19.000 -0.042 0.000 1.164 238 A HN 0.856 nan 8.150 nan 0.000 0.505 239 E N 1.155 121.343 120.200 -0.019 0.000 2.256 239 E HA 0.534 4.885 4.350 0.001 0.000 0.268 239 E C -1.702 174.937 176.600 0.065 0.000 0.877 239 E CA -0.342 56.099 56.400 0.069 0.000 0.757 239 E CB 2.496 32.303 29.700 0.177 0.000 1.183 239 E HN 0.615 nan 8.360 nan 0.000 0.418 240 I N 2.902 123.526 120.570 0.091 0.000 2.439 240 I HA 0.298 4.468 4.170 0.001 0.000 0.285 240 I C -0.810 175.361 176.117 0.089 0.000 1.021 240 I CA -0.574 60.788 61.300 0.102 0.000 1.091 240 I CB 0.703 38.798 38.000 0.158 0.000 1.242 240 I HN 0.351 nan 8.210 nan 0.000 0.439 241 R N 5.326 125.868 120.500 0.070 0.000 2.242 241 R HA 0.291 4.631 4.340 0.001 0.000 0.334 241 R C -0.430 175.874 176.300 0.007 0.000 1.071 241 R CA -0.231 55.902 56.100 0.055 0.000 0.922 241 R CB 0.536 30.869 30.300 0.056 0.000 1.023 241 R HN 0.613 nan 8.270 nan 0.000 0.458 242 S N 1.258 116.969 115.700 0.019 0.000 2.437 242 S HA 0.761 5.232 4.470 0.001 0.000 0.305 242 S C -0.434 174.182 174.600 0.028 0.000 1.109 242 S CA -0.901 57.281 58.200 -0.031 0.000 1.099 242 S CB 2.167 65.405 63.200 0.064 0.000 1.004 242 S HN 0.648 nan 8.310 nan 0.000 0.475 243 A N 3.281 126.098 122.820 -0.005 0.000 2.549 243 A HA 0.733 5.054 4.320 0.001 0.000 0.297 243 A C -0.558 177.041 177.584 0.025 0.000 1.061 243 A CA -1.063 50.999 52.037 0.041 0.000 0.690 243 A CB 0.917 19.938 19.000 0.035 0.000 1.287 243 A HN 0.836 nan 8.150 nan 0.000 0.402 244 L N 0.747 121.995 121.223 0.043 0.000 2.456 244 L HA 0.430 4.771 4.340 0.001 0.000 0.257 244 L C 1.475 178.351 176.870 0.010 0.000 1.162 244 L CA -0.271 54.587 54.840 0.031 0.000 0.808 244 L CB 0.491 42.570 42.059 0.033 0.000 1.136 244 L HN 1.038 nan 8.230 nan 0.000 0.466 245 E N 0.102 120.308 120.200 0.010 0.000 2.207 245 E HA -0.011 4.340 4.350 0.001 0.000 0.197 245 E C 0.801 177.402 176.600 0.003 0.000 0.914 245 E CA -0.323 56.081 56.400 0.007 0.000 0.914 245 E CB 0.026 29.734 29.700 0.013 0.000 0.893 245 E HN 0.435 nan 8.360 nan 0.000 0.479 246 K N 1.944 122.345 120.400 0.002 0.000 2.199 246 K HA 0.196 4.517 4.320 0.001 0.000 0.226 246 K C -0.321 176.280 176.600 0.001 0.000 1.237 246 K CA 0.675 56.963 56.287 0.002 0.000 1.170 246 K CB -0.757 31.744 32.500 0.002 0.000 1.418 246 K HN 0.433 nan 8.250 nan 0.000 0.255 247 G N 0.770 109.569 108.800 -0.002 0.000 2.655 247 G HA2 -0.140 3.821 3.960 0.001 0.000 0.680 247 G HA3 -0.140 3.821 3.960 0.001 0.000 0.680 247 G C -0.663 174.200 174.900 -0.061 0.000 1.302 247 G CA -0.550 44.542 45.100 -0.013 0.000 0.872 247 G HN 0.678 nan 8.290 nan 0.000 0.540 248 S N -2.417 113.206 115.700 -0.128 0.000 3.832 248 S HA -0.044 4.426 4.470 0.001 0.000 0.719 248 S C 0.597 175.028 174.600 -0.282 0.000 1.382 248 S CA 1.690 59.707 58.200 -0.305 0.000 1.406 248 S CB -0.284 62.758 63.200 -0.264 0.000 0.425 248 S HN 2.223 nan 8.310 nan 0.000 0.834 249 R N 0.291 120.519 120.500 -0.454 0.000 2.493 249 R HA 0.376 4.717 4.340 0.001 0.000 0.404 249 R C -0.900 175.326 176.300 -0.123 0.000 0.834 249 R CA -0.092 55.877 56.100 -0.219 0.000 1.056 249 R CB -0.147 30.074 30.300 -0.131 0.000 1.620 249 R HN 0.424 nan 8.270 nan 0.000 0.570 250 F N 1.001 120.964 119.950 0.021 0.000 2.471 250 F HA 0.233 4.761 4.527 0.001 0.000 0.353 250 F C 1.178 176.992 175.800 0.022 0.000 1.113 250 F CA -0.420 57.591 58.000 0.017 0.000 1.262 250 F CB 0.768 39.768 39.000 -0.000 0.000 1.146 250 F HN -0.057 nan 8.300 nan 0.000 0.578 251 I N 2.244 122.962 120.570 0.248 0.000 3.266 251 I HA 0.032 4.202 4.170 0.001 0.000 0.346 251 I C 0.239 176.427 176.117 0.119 0.000 1.458 251 I CA -0.176 61.212 61.300 0.147 0.000 0.997 251 I CB -0.513 37.558 38.000 0.117 0.000 1.733 251 I HN 0.406 nan 8.210 nan 0.000 0.507 252 S N 1.139 116.904 115.700 0.109 0.000 3.517 252 S HA 0.181 4.651 4.470 0.001 0.000 0.284 252 S C 0.755 175.405 174.600 0.083 0.000 1.260 252 S CA -0.534 57.708 58.200 0.069 0.000 0.975 252 S CB -0.868 62.336 63.200 0.007 0.000 1.540 252 S HN 0.551 nan 8.310 nan 0.000 0.506 253 T N 1.670 116.279 114.554 0.091 0.000 2.907 253 T HA 0.535 4.885 4.350 0.001 0.000 0.298 253 T C -0.294 174.469 174.700 0.105 0.000 1.017 253 T CA -0.879 61.279 62.100 0.095 0.000 1.118 253 T CB 0.886 69.811 68.868 0.095 0.000 0.948 253 T HN 0.512 nan 8.240 nan 0.000 0.531 254 L N 2.017 123.303 121.223 0.106 0.000 2.322 254 L HA 0.466 4.807 4.340 0.001 0.000 0.281 254 L C -0.514 176.425 176.870 0.116 0.000 1.014 254 L CA -0.361 54.550 54.840 0.117 0.000 0.815 254 L CB 1.838 43.957 42.059 0.100 0.000 1.247 254 L HN 0.764 nan 8.230 nan 0.000 0.421 255 Q N 3.794 123.669 119.800 0.125 0.000 2.330 255 Q HA 0.539 4.880 4.340 0.001 0.000 0.269 255 Q C -1.415 174.659 176.000 0.125 0.000 1.022 255 Q CA -0.768 55.106 55.803 0.119 0.000 0.796 255 Q CB 2.816 31.626 28.738 0.120 0.000 1.271 255 Q HN 0.427 nan 8.270 nan 0.000 0.450 256 V N 4.290 124.269 119.914 0.109 0.000 2.347 256 V HA 0.346 4.466 4.120 0.001 0.000 0.280 256 V C -0.549 175.614 176.094 0.115 0.000 1.021 256 V CA -0.445 61.923 62.300 0.113 0.000 0.847 256 V CB 1.027 32.904 31.823 0.091 0.000 0.990 256 V HN 0.635 nan 8.190 nan 0.000 0.444 257 K N 4.982 125.471 120.400 0.149 0.000 2.471 257 K HA 0.626 4.946 4.320 0.001 0.000 0.252 257 K C -1.152 175.573 176.600 0.208 0.000 0.938 257 K CA -0.983 55.395 56.287 0.153 0.000 0.796 257 K CB 2.544 35.118 32.500 0.123 0.000 1.161 257 K HN 0.421 nan 8.250 nan 0.000 0.425 258 L N 4.212 125.520 121.223 0.141 0.000 2.328 258 L HA 0.276 4.616 4.340 0.001 0.000 0.280 258 L C -1.044 175.910 176.870 0.141 0.000 1.111 258 L CA -0.230 54.691 54.840 0.136 0.000 0.909 258 L CB -0.848 41.231 42.059 0.032 0.000 1.277 258 L HN 0.513 nan 8.230 nan 0.000 0.433 259 Y N 3.323 123.640 120.300 0.028 0.000 2.321 259 Y HA 0.422 4.973 4.550 0.001 0.000 0.353 259 Y C 1.435 177.345 175.900 0.018 0.000 1.276 259 Y CA 0.579 58.697 58.100 0.029 0.000 1.545 259 Y CB 0.176 38.653 38.460 0.029 0.000 1.377 259 Y HN 0.837 nan 8.280 nan 0.000 0.650 260 G N 1.820 110.727 108.800 0.178 0.000 3.277 260 G HA2 -0.178 3.782 3.960 0.001 0.000 0.684 260 G HA3 -0.178 3.782 3.960 0.001 0.000 0.684 260 G C 0.072 175.003 174.900 0.051 0.000 0.923 260 G CA -0.769 44.391 45.100 0.101 0.000 0.779 260 G HN 0.497 nan 8.290 nan 0.000 0.508 261 R N 0.972 121.495 120.500 0.039 0.000 3.074 261 R HA 0.209 4.549 4.340 0.001 0.000 0.193 261 R C 0.946 177.259 176.300 0.023 0.000 0.992 261 R CA -0.158 55.959 56.100 0.028 0.000 1.177 261 R CB -0.168 30.147 30.300 0.025 0.000 0.860 261 R HN 0.683 nan 8.270 nan 0.000 0.490 262 E N 0.952 121.167 120.200 0.024 0.000 2.059 262 E HA 0.091 4.441 4.350 0.001 0.000 0.262 262 E C -0.491 176.118 176.600 0.016 0.000 1.230 262 E CA 0.454 56.865 56.400 0.018 0.000 0.951 262 E CB -0.830 28.883 29.700 0.021 0.000 1.038 262 E HN 0.656 nan 8.360 nan 0.000 0.425 263 G N 4.497 113.304 108.800 0.012 0.000 2.331 263 G HA2 -0.251 3.710 3.960 0.001 0.000 0.254 263 G HA3 -0.251 3.710 3.960 0.001 0.000 0.254 263 G C 0.007 174.918 174.900 0.017 0.000 0.879 263 G CA 0.363 45.471 45.100 0.014 0.000 1.287 263 G HN 0.978 nan 8.290 nan 0.000 0.383 264 S N -0.598 115.114 115.700 0.020 0.000 3.697 264 S HA 0.058 4.528 4.470 0.001 0.000 0.569 264 S C 1.021 175.632 174.600 0.019 0.000 0.803 264 S CA 1.382 59.596 58.200 0.023 0.000 1.299 264 S CB -0.823 62.395 63.200 0.029 0.000 1.561 264 S HN 2.468 nan 8.310 nan 0.000 0.611 265 S N 0.565 116.277 115.700 0.020 0.000 3.516 265 S HA 0.132 4.602 4.470 0.001 0.000 0.562 265 S C 0.677 175.293 174.600 0.027 0.000 0.655 265 S CA 0.508 58.721 58.200 0.021 0.000 1.400 265 S CB -1.641 61.571 63.200 0.019 0.000 0.946 265 S HN 2.593 nan 8.310 nan 0.000 0.871 266 A N 1.429 124.266 122.820 0.028 0.000 3.918 266 A HA -0.122 4.198 4.320 0.001 0.000 0.195 266 A C 0.448 178.062 177.584 0.051 0.000 1.294 266 A CA 0.462 52.521 52.037 0.036 0.000 1.096 266 A CB -0.901 18.125 19.000 0.043 0.000 1.037 266 A HN 0.654 nan 8.150 nan 0.000 0.722 267 R N 1.541 122.065 120.500 0.040 0.000 4.556 267 R HA 0.129 4.469 4.340 0.001 0.000 0.197 267 R C 0.869 177.195 176.300 0.045 0.000 1.791 267 R CA 0.804 56.931 56.100 0.044 0.000 1.526 267 R CB -0.821 29.489 30.300 0.017 0.000 1.410 267 R HN 0.843 nan 8.270 nan 0.000 0.826 268 T N -0.707 113.879 114.554 0.054 0.000 2.856 268 T HA 0.263 4.614 4.350 0.001 0.000 0.306 268 T C 0.542 175.280 174.700 0.064 0.000 1.062 268 T CA -0.130 61.987 62.100 0.028 0.000 1.083 268 T CB 0.570 69.417 68.868 -0.034 0.000 0.984 268 T HN 0.325 nan 8.240 nan 0.000 0.542 269 I N 3.510 124.107 120.570 0.045 0.000 2.495 269 I HA 0.352 4.523 4.170 0.001 0.000 0.277 269 I C 0.371 176.529 176.117 0.068 0.000 1.045 269 I CA -0.817 60.535 61.300 0.086 0.000 1.135 269 I CB 1.375 39.418 38.000 0.071 0.000 1.241 269 I HN 0.656 nan 8.210 nan 0.000 0.469 270 K N 3.841 124.289 120.400 0.080 0.000 2.419 270 K HA 0.917 5.237 4.320 0.001 0.000 0.246 270 K C -0.383 176.277 176.600 0.100 0.000 1.037 270 K CA -0.772 55.529 56.287 0.024 0.000 0.982 270 K CB 1.663 34.087 32.500 -0.126 0.000 1.283 270 K HN 0.561 nan 8.250 nan 0.000 0.500 271 A N 0.282 123.144 122.820 0.069 0.000 2.549 271 A HA 0.504 4.825 4.320 0.001 0.000 0.297 271 A C -1.312 176.326 177.584 0.089 0.000 1.061 271 A CA -0.677 51.418 52.037 0.097 0.000 0.690 271 A CB 1.737 20.792 19.000 0.092 0.000 1.287 271 A HN 0.488 nan 8.150 nan 0.000 0.402 272 T N 2.691 117.317 114.554 0.120 0.000 2.788 272 T HA 0.531 4.881 4.350 0.001 0.000 0.296 272 T C -0.225 174.560 174.700 0.141 0.000 1.009 272 T CA -0.060 62.110 62.100 0.117 0.000 0.949 272 T CB 0.052 68.992 68.868 0.120 0.000 0.946 272 T HN 0.453 nan 8.240 nan 0.000 0.453 273 L N 5.356 126.656 121.223 0.129 0.000 2.379 273 L HA 0.518 4.859 4.340 0.001 0.000 0.269 273 L C -1.765 175.198 176.870 0.155 0.000 1.084 273 L CA -2.279 52.660 54.840 0.165 0.000 0.802 273 L CB 0.701 42.833 42.059 0.122 0.000 1.175 273 L HN 0.348 nan 8.230 nan 0.000 0.448 274 P HA 0.059 nan 4.420 nan 0.000 0.276 274 P C -0.475 176.971 177.300 0.245 0.000 1.252 274 P CA -0.230 62.971 63.100 0.169 0.000 0.802 274 P CB 0.391 32.160 31.700 0.114 0.000 1.035 275 Y N -2.239 118.086 120.300 0.041 0.000 4.469 275 Y HA -0.240 4.310 4.550 0.001 0.000 0.220 275 Y C 1.094 177.067 175.900 0.121 0.000 1.078 275 Y CA 0.339 58.470 58.100 0.052 0.000 1.881 275 Y CB -1.543 36.909 38.460 -0.013 0.000 1.608 275 Y HN 0.275 nan 8.280 nan 0.000 0.634 276 I N -0.524 120.166 120.570 0.201 0.000 4.248 276 I HA 0.047 4.218 4.170 0.001 0.000 0.223 276 I C 1.405 177.587 176.117 0.108 0.000 1.538 276 I CA 0.341 61.740 61.300 0.165 0.000 0.932 276 I CB 1.146 39.219 38.000 0.122 0.000 1.749 276 I HN 0.111 nan 8.210 nan 0.000 0.762 277 K N -0.850 119.598 120.400 0.080 0.000 2.550 277 K HA 0.203 4.523 4.320 0.001 0.000 0.205 277 K C 0.476 177.108 176.600 0.053 0.000 1.429 277 K CA -0.061 56.258 56.287 0.054 0.000 0.997 277 K CB 1.630 34.158 32.500 0.047 0.000 1.328 277 K HN 0.445 nan 8.250 nan 0.000 0.546 278 Q N -0.525 119.305 119.800 0.049 0.000 2.328 278 Q HA 0.150 4.491 4.340 0.001 0.000 0.429 278 Q C -1.517 174.499 176.000 0.027 0.000 0.492 278 Q CA -0.544 55.285 55.803 0.044 0.000 1.012 278 Q CB 1.495 30.260 28.738 0.045 0.000 0.861 278 Q HN -0.065 nan 8.270 nan 0.000 0.364 279 D N 1.565 121.961 120.400 -0.006 0.000 2.629 279 D HA 0.412 5.053 4.640 0.001 0.000 0.250 279 D C -0.855 175.362 176.300 -0.138 0.000 1.126 279 D CA -0.256 53.728 54.000 -0.028 0.000 0.852 279 D CB 1.607 42.412 40.800 0.007 0.000 1.335 279 D HN 0.297 nan 8.370 nan 0.000 0.518 280 I N 2.788 123.263 120.570 -0.158 0.000 2.355 280 I HA 0.277 4.448 4.170 0.001 0.000 0.288 280 I C -2.367 173.645 176.117 -0.176 0.000 0.999 280 I CA -2.756 58.368 61.300 -0.293 0.000 1.163 280 I CB 0.915 38.737 38.000 -0.295 0.000 1.316 280 I HN -0.124 nan 8.210 nan 0.000 0.454 281 P HA 0.103 nan 4.420 nan 0.000 0.266 281 P C 1.390 178.684 177.300 -0.011 0.000 1.195 281 P CA -0.011 63.049 63.100 -0.066 0.000 0.768 281 P CB 0.685 32.364 31.700 -0.035 0.000 0.838 282 I N 2.237 122.840 120.570 0.055 0.000 2.394 282 I HA -0.190 3.980 4.170 0.001 0.000 0.251 282 I C 1.676 177.940 176.117 0.246 0.000 1.136 282 I CA 1.190 62.581 61.300 0.152 0.000 1.425 282 I CB -0.927 37.209 38.000 0.227 0.000 1.079 282 I HN 0.136 nan 8.210 nan 0.000 0.425 283 V N 0.505 120.501 119.914 0.137 0.000 2.407 283 V HA -0.216 3.904 4.120 0.001 0.000 0.248 283 V C 2.525 178.693 176.094 0.125 0.000 1.055 283 V CA 1.577 63.941 62.300 0.106 0.000 1.049 283 V CB -1.108 30.718 31.823 0.007 0.000 0.662 283 V HN 0.481 nan 8.190 nan 0.000 0.455 284 I N 0.277 120.892 120.570 0.075 0.000 2.264 284 I HA -0.204 3.966 4.170 0.001 0.000 0.248 284 I C 2.726 178.860 176.117 0.029 0.000 1.111 284 I CA 1.828 63.158 61.300 0.050 0.000 1.382 284 I CB -0.970 37.027 38.000 -0.005 0.000 1.060 284 I HN 0.322 nan 8.210 nan 0.000 0.418 285 I N 0.668 121.251 120.570 0.021 0.000 2.133 285 I HA -0.272 3.898 4.170 0.001 0.000 0.238 285 I C 2.703 178.791 176.117 -0.048 0.000 1.074 285 I CA 1.712 62.967 61.300 -0.075 0.000 1.342 285 I CB -1.187 36.734 38.000 -0.133 0.000 1.053 285 I HN 0.068 nan 8.210 nan 0.000 0.404 286 F N 1.480 121.404 119.950 -0.043 0.000 2.147 286 F HA -0.244 4.283 4.527 0.001 0.000 0.301 286 F C 2.735 178.509 175.800 -0.043 0.000 1.084 286 F CA 1.450 59.430 58.000 -0.032 0.000 1.268 286 F CB -0.538 38.432 39.000 -0.051 0.000 1.009 286 F HN 0.050 nan 8.300 nan 0.000 0.486 287 R N 0.376 120.964 120.500 0.146 0.000 2.088 287 R HA -0.111 4.229 4.340 0.001 0.000 0.232 287 R C 2.388 178.709 176.300 0.035 0.000 1.136 287 R CA 1.413 57.552 56.100 0.066 0.000 0.926 287 R CB -1.658 28.670 30.300 0.047 0.000 0.837 287 R HN 0.283 nan 8.270 nan 0.000 0.429 288 A N 1.002 123.830 122.820 0.013 0.000 2.245 288 A HA -0.122 4.199 4.320 0.001 0.000 0.217 288 A C 2.218 179.782 177.584 -0.033 0.000 1.171 288 A CA 1.134 53.163 52.037 -0.014 0.000 0.688 288 A CB -0.469 18.507 19.000 -0.041 0.000 0.781 288 A HN 0.214 nan 8.150 nan 0.000 0.479 289 L N -3.204 118.003 121.223 -0.026 0.000 2.265 289 L HA 0.268 4.608 4.340 0.001 0.000 0.195 289 L C 2.123 179.013 176.870 0.034 0.000 1.083 289 L CA 1.179 56.011 54.840 -0.014 0.000 0.798 289 L CB 0.045 42.078 42.059 -0.044 0.000 0.989 289 L HN 0.506 nan 8.230 nan 0.000 0.472 290 G N -1.200 107.631 108.800 0.053 0.000 4.103 290 G HA2 0.042 4.002 3.960 0.001 0.000 0.163 290 G HA3 0.042 4.002 3.960 0.001 0.000 0.163 290 G C -0.185 174.746 174.900 0.052 0.000 0.840 290 G CA -0.457 44.676 45.100 0.055 0.000 0.905 290 G HN 0.007 nan 8.290 nan 0.000 0.377 291 I N 2.991 123.605 120.570 0.073 0.000 2.416 291 I HA 0.375 4.545 4.170 0.001 0.000 0.288 291 I C 1.101 177.222 176.117 0.006 0.000 1.051 291 I CA -0.297 61.016 61.300 0.022 0.000 1.375 291 I CB 1.114 39.099 38.000 -0.026 0.000 1.407 291 I HN 0.014 nan 8.210 nan 0.000 0.516 292 I N 5.527 126.078 120.570 -0.032 0.000 3.673 292 I HA 0.194 4.364 4.170 0.001 0.000 0.281 292 I C -1.825 174.248 176.117 -0.073 0.000 1.182 292 I CA 0.221 61.497 61.300 -0.041 0.000 1.391 292 I CB -1.413 36.568 38.000 -0.032 0.000 1.383 292 I HN 0.355 nan 8.210 nan 0.000 0.456 293 P HA 0.201 nan 4.420 nan 0.000 0.281 293 P C -0.080 177.149 177.300 -0.118 0.000 1.249 293 P CA -0.009 63.035 63.100 -0.092 0.000 0.810 293 P CB 1.361 33.016 31.700 -0.076 0.000 1.008 294 D N 2.296 122.631 120.400 -0.108 0.000 2.088 294 D HA -0.125 4.516 4.640 0.001 0.000 0.191 294 D C 2.244 178.468 176.300 -0.126 0.000 0.992 294 D CA 2.069 55.999 54.000 -0.117 0.000 0.831 294 D CB -1.207 39.549 40.800 -0.074 0.000 0.973 294 D HN 0.614 nan 8.370 nan 0.000 0.447 295 G N 0.466 109.213 108.800 -0.089 0.000 2.516 295 G HA2 -0.270 3.691 3.960 0.001 0.000 0.221 295 G HA3 -0.270 3.691 3.960 0.001 0.000 0.221 295 G C 1.462 176.306 174.900 -0.093 0.000 1.107 295 G CA 0.587 45.641 45.100 -0.077 0.000 0.747 295 G HN 0.258 nan 8.290 nan 0.000 0.567 296 E N -0.282 119.843 120.200 -0.126 0.000 2.102 296 E HA 0.064 4.414 4.350 0.001 0.000 0.190 296 E C 2.549 178.970 176.600 -0.297 0.000 0.971 296 E CA -0.079 56.226 56.400 -0.157 0.000 0.821 296 E CB -0.022 29.591 29.700 -0.146 0.000 0.777 296 E HN 0.438 nan 8.360 nan 0.000 0.460 297 I N 1.598 121.952 120.570 -0.360 0.000 2.118 297 I HA -0.341 3.829 4.170 0.001 0.000 0.241 297 I C 2.404 178.246 176.117 -0.458 0.000 1.070 297 I CA 1.252 62.200 61.300 -0.585 0.000 1.327 297 I CB -0.246 37.403 38.000 -0.585 0.000 1.034 297 I HN 0.144 nan 8.210 nan 0.000 0.405 298 L N -0.192 120.877 121.223 -0.258 0.000 2.191 298 L HA -0.201 4.139 4.340 0.001 0.000 0.212 298 L C 2.517 179.383 176.870 -0.007 0.000 1.103 298 L CA 1.053 55.815 54.840 -0.130 0.000 0.769 298 L CB -0.823 41.191 42.059 -0.076 0.000 0.908 298 L HN 0.303 nan 8.230 nan 0.000 0.438 299 E N -0.005 120.204 120.200 0.015 0.000 2.085 299 E HA -0.220 4.130 4.350 0.001 0.000 0.194 299 E C 2.050 178.795 176.600 0.241 0.000 0.994 299 E CA 1.337 57.817 56.400 0.134 0.000 0.801 299 E CB -0.199 29.566 29.700 0.107 0.000 0.743 299 E HN 0.570 nan 8.360 nan 0.000 0.453 300 H N -0.552 118.449 119.070 -0.115 0.000 2.545 300 H HA 0.043 4.599 4.556 0.001 0.000 0.282 300 H C 1.753 177.290 175.328 0.348 0.000 1.020 300 H CA 0.689 56.648 56.048 -0.148 0.000 1.243 300 H CB 0.043 29.718 29.762 -0.145 0.000 1.377 300 H HN 0.183 nan 8.280 nan 0.000 0.581 301 I N -2.317 118.477 120.570 0.373 0.000 3.366 301 I HA 0.022 4.192 4.170 0.001 0.000 0.267 301 I C 0.349 176.404 176.117 -0.103 0.000 1.149 301 I CA 0.252 61.661 61.300 0.181 0.000 1.436 301 I CB 0.858 38.880 38.000 0.038 0.000 1.379 301 I HN 0.051 nan 8.210 nan 0.000 0.460 302 C N 1.463 120.781 119.300 0.030 0.000 2.242 302 C HA 0.326 4.787 4.460 0.001 0.000 0.317 302 C C 1.256 176.346 174.990 0.166 0.000 1.087 302 C CA -0.463 58.524 59.018 -0.051 0.000 1.535 302 C CB -1.266 26.464 27.740 -0.016 0.000 1.893 302 C HN 0.445 nan 8.230 nan 0.000 0.426 303 Y N 1.064 121.446 120.300 0.136 0.000 2.583 303 Y HA 0.075 4.625 4.550 0.001 0.000 0.293 303 Y C 1.062 177.043 175.900 0.135 0.000 1.157 303 Y CA -0.246 57.956 58.100 0.170 0.000 1.315 303 Y CB 0.097 38.721 38.460 0.273 0.000 1.021 303 Y HN 0.577 nan 8.280 nan 0.000 0.536 304 D N -0.321 120.202 120.400 0.205 0.000 2.278 304 D HA 0.220 4.860 4.640 0.001 0.000 0.245 304 D C 0.526 176.898 176.300 0.121 0.000 1.052 304 D CA -0.427 53.663 54.000 0.151 0.000 0.834 304 D CB 2.143 43.009 40.800 0.111 0.000 1.194 304 D HN -0.093 nan 8.370 nan 0.000 0.481 305 V N 3.249 123.239 119.914 0.126 0.000 3.306 305 V HA 0.007 4.128 4.120 0.001 0.000 0.264 305 V C 1.759 177.919 176.094 0.111 0.000 1.149 305 V CA 0.408 62.774 62.300 0.109 0.000 1.143 305 V CB -0.615 31.271 31.823 0.107 0.000 0.767 305 V HN 0.554 nan 8.190 nan 0.000 0.476 306 N N 0.686 119.456 118.700 0.116 0.000 2.354 306 N HA -0.073 4.667 4.740 0.001 0.000 0.179 306 N C 0.928 176.542 175.510 0.173 0.000 1.021 306 N CA 0.775 53.909 53.050 0.141 0.000 0.887 306 N CB -0.143 38.417 38.487 0.123 0.000 0.974 306 N HN 0.473 nan 8.380 nan 0.000 0.437 307 D N 1.960 122.417 120.400 0.096 0.000 2.598 307 D HA -0.077 4.563 4.640 0.001 0.000 0.231 307 D C 1.604 177.902 176.300 -0.003 0.000 1.127 307 D CA -0.337 53.664 54.000 0.002 0.000 1.126 307 D CB -0.455 40.321 40.800 -0.041 0.000 1.124 307 D HN 0.315 nan 8.370 nan 0.000 0.485 308 W N 1.811 123.112 121.300 0.002 0.000 2.392 308 W HA -0.197 4.464 4.660 0.001 0.000 0.279 308 W C 1.002 177.516 176.519 -0.009 0.000 1.225 308 W CA 0.265 57.608 57.345 -0.002 0.000 1.233 308 W CB -0.624 28.836 29.460 0.000 0.000 1.122 308 W HN 0.285 nan 8.180 nan 0.000 0.561 309 Q N 0.813 120.143 119.800 -0.782 0.000 2.050 309 Q HA -0.236 4.105 4.340 0.001 0.000 0.202 309 Q C 2.482 178.308 176.000 -0.290 0.000 0.980 309 Q CA 2.507 57.864 55.803 -0.744 0.000 0.840 309 Q CB -0.445 27.791 28.738 -0.836 0.000 0.898 309 Q HN 0.409 nan 8.270 nan 0.000 0.424 310 M N 0.106 119.573 119.600 -0.221 0.000 2.099 310 M HA -0.161 4.319 4.480 0.001 0.000 0.262 310 M C 1.647 177.906 176.300 -0.069 0.000 1.067 310 M CA 1.152 56.372 55.300 -0.134 0.000 1.124 310 M CB -0.031 32.491 32.600 -0.129 0.000 1.353 310 M HN 0.136 nan 8.290 nan 0.000 0.410 311 L N 1.117 122.323 121.223 -0.029 0.000 1.978 311 L HA -0.262 4.079 4.340 0.001 0.000 0.218 311 L C 2.505 179.402 176.870 0.045 0.000 1.075 311 L CA 2.310 57.167 54.840 0.028 0.000 0.767 311 L CB -1.566 40.546 42.059 0.089 0.000 0.890 311 L HN 0.462 nan 8.230 nan 0.000 0.434 312 E N -0.668 119.586 120.200 0.089 0.000 2.114 312 E HA -0.252 4.098 4.350 0.001 0.000 0.199 312 E C 2.165 178.792 176.600 0.045 0.000 1.008 312 E CA 1.642 58.107 56.400 0.109 0.000 0.810 312 E CB -0.220 29.598 29.700 0.197 0.000 0.739 312 E HN 0.442 nan 8.360 nan 0.000 0.456 313 M N -0.535 119.067 119.600 0.002 0.000 2.549 313 M HA -0.062 4.418 4.480 0.001 0.000 0.260 313 M C 1.705 177.999 176.300 -0.010 0.000 1.076 313 M CA 0.735 56.025 55.300 -0.015 0.000 1.090 313 M CB -0.026 32.544 32.600 -0.050 0.000 1.418 313 M HN 0.157 nan 8.290 nan 0.000 0.486 314 L N -0.472 120.747 121.223 -0.007 0.000 2.249 314 L HA -0.053 4.287 4.340 0.001 0.000 0.207 314 L C 2.360 179.230 176.870 0.001 0.000 1.090 314 L CA 0.507 55.341 54.840 -0.011 0.000 0.802 314 L CB -0.354 41.690 42.059 -0.026 0.000 0.947 314 L HN 0.165 nan 8.230 nan 0.000 0.453 315 K N 0.294 120.702 120.400 0.013 0.000 2.117 315 K HA -0.252 4.068 4.320 0.001 0.000 0.215 315 K C -0.523 176.089 176.600 0.021 0.000 1.053 315 K CA 2.364 58.664 56.287 0.020 0.000 0.935 315 K CB -1.286 31.231 32.500 0.027 0.000 0.719 315 K HN 0.304 nan 8.250 nan 0.000 0.460 316 P HA -0.170 nan 4.420 nan 0.000 0.215 316 P C 1.579 178.892 177.300 0.022 0.000 1.157 316 P CA 1.856 64.967 63.100 0.018 0.000 0.868 316 P CB -0.371 31.339 31.700 0.017 0.000 0.788 317 C N -2.396 116.915 119.300 0.018 0.000 2.500 317 C HA 0.152 4.612 4.460 0.001 0.000 0.273 317 C C 2.764 177.771 174.990 0.027 0.000 1.428 317 C CA -0.387 58.643 59.018 0.020 0.000 1.766 317 C CB -1.983 25.766 27.740 0.014 0.000 1.817 317 C HN 0.028 nan 8.230 nan 0.000 0.543 318 V N 1.618 121.548 119.914 0.027 0.000 2.307 318 V HA -0.198 3.922 4.120 0.001 0.000 0.245 318 V C 2.782 178.943 176.094 0.112 0.000 1.045 318 V CA 2.387 64.714 62.300 0.045 0.000 1.024 318 V CB -0.616 31.229 31.823 0.037 0.000 0.651 318 V HN 0.530 nan 8.190 nan 0.000 0.449 319 E N -0.539 119.719 120.200 0.098 0.000 2.204 319 E HA -0.213 4.137 4.350 0.001 0.000 0.194 319 E C 1.946 178.618 176.600 0.121 0.000 0.989 319 E CA 1.005 57.471 56.400 0.110 0.000 0.824 319 E CB -0.120 29.598 29.700 0.029 0.000 0.756 319 E HN 0.496 nan 8.360 nan 0.000 0.477 320 D N -0.504 119.948 120.400 0.087 0.000 2.144 320 D HA -0.072 4.569 4.640 0.001 0.000 0.200 320 D C 1.469 177.841 176.300 0.119 0.000 0.978 320 D CA 1.121 55.169 54.000 0.081 0.000 0.833 320 D CB -0.115 40.712 40.800 0.045 0.000 0.961 320 D HN 0.217 nan 8.370 nan 0.000 0.470 321 G N -1.163 107.708 108.800 0.118 0.000 3.518 321 G HA2 -0.019 3.942 3.960 0.001 0.000 0.273 321 G HA3 -0.019 3.942 3.960 0.001 0.000 0.273 321 G C 0.737 175.701 174.900 0.107 0.000 1.199 321 G CA -0.453 44.712 45.100 0.109 0.000 0.899 321 G HN 0.172 nan 8.290 nan 0.000 0.533 322 F N 0.266 120.230 119.950 0.022 0.000 2.615 322 F HA 0.059 4.587 4.527 0.001 0.000 0.297 322 F C 2.205 178.012 175.800 0.012 0.000 1.124 322 F CA 0.598 58.605 58.000 0.011 0.000 1.451 322 F CB 0.594 39.596 39.000 0.004 0.000 1.103 322 F HN 0.058 nan 8.300 nan 0.000 0.569 323 V N 0.094 120.127 119.914 0.197 0.000 2.548 323 V HA -0.130 3.991 4.120 0.001 0.000 0.249 323 V C 0.673 176.790 176.094 0.038 0.000 1.055 323 V CA 0.966 63.336 62.300 0.116 0.000 1.065 323 V CB -0.507 31.365 31.823 0.082 0.000 0.681 323 V HN 0.001 nan 8.190 nan 0.000 0.462 324 I N -0.491 120.097 120.570 0.030 0.000 2.460 324 I HA 0.424 4.595 4.170 0.001 0.000 0.298 324 I C 0.452 176.532 176.117 -0.061 0.000 0.989 324 I CA 0.320 61.624 61.300 0.007 0.000 1.173 324 I CB 1.819 39.863 38.000 0.075 0.000 1.338 324 I HN -0.036 nan 8.210 nan 0.000 0.456 325 Q N 2.827 122.585 119.800 -0.069 0.000 2.036 325 Q HA 0.213 4.553 4.340 0.001 0.000 0.208 325 Q C -1.538 174.424 176.000 -0.063 0.000 0.770 325 Q CA -0.113 55.628 55.803 -0.103 0.000 0.992 325 Q CB 0.583 29.220 28.738 -0.169 0.000 1.209 325 Q HN 0.740 nan 8.270 nan 0.000 0.445 326 D N -2.682 117.700 120.400 -0.031 0.000 2.599 326 D HA 0.244 4.885 4.640 0.001 0.000 0.252 326 D C 0.269 176.570 176.300 0.002 0.000 1.232 326 D CA -0.680 53.310 54.000 -0.017 0.000 0.819 326 D CB 0.585 41.374 40.800 -0.019 0.000 1.401 326 D HN -0.090 nan 8.370 nan 0.000 0.429 327 R N -0.002 120.501 120.500 0.005 0.000 2.103 327 R HA -0.145 4.195 4.340 0.001 0.000 0.242 327 R C 1.399 177.711 176.300 0.020 0.000 1.142 327 R CA 1.860 57.968 56.100 0.014 0.000 0.960 327 R CB -0.091 30.217 30.300 0.013 0.000 0.858 327 R HN 0.615 nan 8.270 nan 0.000 0.439 328 E N -0.678 119.531 120.200 0.015 0.000 2.208 328 E HA -0.097 4.253 4.350 0.001 0.000 0.193 328 E C 1.702 178.316 176.600 0.023 0.000 0.988 328 E CA 1.540 57.951 56.400 0.018 0.000 0.828 328 E CB 0.072 29.779 29.700 0.011 0.000 0.763 328 E HN 0.479 nan 8.360 nan 0.000 0.478 329 T N -2.333 112.233 114.554 0.021 0.000 3.060 329 T HA 0.346 4.697 4.350 0.001 0.000 0.249 329 T C 1.837 176.573 174.700 0.060 0.000 1.079 329 T CA 0.379 62.494 62.100 0.025 0.000 1.013 329 T CB 0.508 69.379 68.868 0.005 0.000 0.975 329 T HN 0.091 nan 8.240 nan 0.000 0.518 330 A N 1.887 124.747 122.820 0.067 0.000 1.861 330 A HA 0.369 4.689 4.320 0.001 0.000 0.212 330 A C 2.176 179.826 177.584 0.111 0.000 1.199 330 A CA 0.606 52.704 52.037 0.102 0.000 0.613 330 A CB -0.834 18.204 19.000 0.063 0.000 0.846 330 A HN 0.447 nan 8.150 nan 0.000 0.446 331 L N -0.055 121.209 121.223 0.069 0.000 2.187 331 L HA -0.223 4.118 4.340 0.001 0.000 0.213 331 L C 2.196 179.126 176.870 0.100 0.000 1.100 331 L CA 1.594 56.474 54.840 0.067 0.000 0.765 331 L CB -0.495 41.592 42.059 0.047 0.000 0.904 331 L HN 0.456 nan 8.230 nan 0.000 0.437 332 D N -0.316 120.143 120.400 0.097 0.000 2.097 332 D HA -0.255 4.386 4.640 0.001 0.000 0.195 332 D C 1.991 178.367 176.300 0.126 0.000 0.989 332 D CA 1.004 55.053 54.000 0.081 0.000 0.827 332 D CB -0.052 40.770 40.800 0.037 0.000 0.966 332 D HN 0.118 nan 8.370 nan 0.000 0.456 333 F N 0.988 120.940 119.950 0.003 0.000 2.053 333 F HA -0.199 4.329 4.527 0.001 0.000 0.295 333 F C 0.661 176.463 175.800 0.004 0.000 1.102 333 F CA 1.191 59.193 58.000 0.002 0.000 1.225 333 F CB -0.570 38.432 39.000 0.004 0.000 0.961 333 F HN -0.040 nan 8.300 nan 0.000 0.495 334 I N 0.397 121.148 120.570 0.302 0.000 2.471 334 I HA 0.394 4.565 4.170 0.001 0.000 0.286 334 I C 0.688 176.883 176.117 0.130 0.000 1.079 334 I CA 0.516 61.925 61.300 0.182 0.000 1.398 334 I CB -0.169 37.901 38.000 0.116 0.000 1.403 334 I HN 0.434 nan 8.210 nan 0.000 0.530 346 E N 1.844 122.045 120.200 0.002 0.000 2.340 346 E HA -0.003 4.347 4.350 0.001 0.000 0.194 346 E C 1.154 177.766 176.600 0.021 0.000 0.996 346 E CA 0.426 56.831 56.400 0.008 0.000 0.869 346 E CB 0.212 29.918 29.700 0.009 0.000 0.835 346 E HN 0.197 nan 8.360 nan 0.000 0.493 347 K N 1.128 121.543 120.400 0.026 0.000 2.450 347 K HA -0.246 4.075 4.320 0.001 0.000 0.201 347 K C 2.107 178.753 176.600 0.077 0.000 1.034 347 K CA 2.124 58.440 56.287 0.048 0.000 0.934 347 K CB -0.264 32.260 32.500 0.041 0.000 0.757 347 K HN 0.230 nan 8.250 nan 0.000 0.508 348 R N -0.387 120.142 120.500 0.048 0.000 2.235 348 R HA -0.078 4.262 4.340 0.001 0.000 0.213 348 R C 1.821 178.193 176.300 0.119 0.000 1.059 348 R CA 1.175 57.314 56.100 0.066 0.000 0.997 348 R CB -0.288 30.006 30.300 -0.011 0.000 0.884 348 R HN 0.122 nan 8.270 nan 0.000 0.462 349 I N 1.724 122.346 120.570 0.087 0.000 2.252 349 I HA -0.213 3.957 4.170 0.001 0.000 0.245 349 I C 2.749 178.922 176.117 0.093 0.000 1.102 349 I CA 1.328 62.677 61.300 0.081 0.000 1.385 349 I CB -0.378 37.654 38.000 0.053 0.000 1.064 349 I HN 0.159 nan 8.210 nan 0.000 0.414 350 Q N 0.416 120.274 119.800 0.097 0.000 1.942 350 Q HA -0.293 4.048 4.340 0.001 0.000 0.203 350 Q C 2.306 178.380 176.000 0.122 0.000 0.987 350 Q CA 1.981 57.838 55.803 0.091 0.000 0.844 350 Q CB -0.878 27.910 28.738 0.084 0.000 0.911 350 Q HN 0.505 nan 8.270 nan 0.000 0.423 351 Y N 0.012 120.333 120.300 0.035 0.000 2.181 351 Y HA -0.385 4.165 4.550 0.001 0.000 0.279 351 Y C 1.941 177.870 175.900 0.047 0.000 1.228 351 Y CA 2.368 60.495 58.100 0.045 0.000 1.164 351 Y CB -0.471 38.015 38.460 0.042 0.000 0.959 351 Y HN 0.303 nan 8.280 nan 0.000 0.521 352 A N -0.628 122.334 122.820 0.237 0.000 1.930 352 A HA -0.104 4.217 4.320 0.001 0.000 0.215 352 A C 2.203 179.814 177.584 0.044 0.000 1.176 352 A CA 1.348 53.471 52.037 0.143 0.000 0.632 352 A CB -0.522 18.558 19.000 0.133 0.000 0.819 352 A HN 0.472 nan 8.150 nan 0.000 0.445 353 K N -0.295 120.130 120.400 0.041 0.000 2.148 353 K HA -0.143 4.177 4.320 0.001 0.000 0.204 353 K C 0.993 177.595 176.600 0.003 0.000 1.050 353 K CA 1.417 57.716 56.287 0.019 0.000 0.942 353 K CB -0.071 32.446 32.500 0.029 0.000 0.724 353 K HN 0.419 nan 8.250 nan 0.000 0.446 354 D N 0.757 121.147 120.400 -0.017 0.000 2.103 354 D HA -0.132 4.509 4.640 0.001 0.000 0.199 354 D C 1.856 178.124 176.300 -0.053 0.000 0.978 354 D CA 0.927 54.902 54.000 -0.042 0.000 0.829 354 D CB -0.143 40.608 40.800 -0.081 0.000 0.981 354 D HN 0.202 nan 8.370 nan 0.000 0.464 355 I N 0.848 121.370 120.570 -0.079 0.000 2.567 355 I HA -0.183 3.987 4.170 0.001 0.000 0.257 355 I C 2.088 178.213 176.117 0.013 0.000 1.184 355 I CA 0.513 61.780 61.300 -0.055 0.000 1.451 355 I CB 0.141 38.111 38.000 -0.049 0.000 1.089 355 I HN -0.024 nan 8.210 nan 0.000 0.441 356 L N -0.795 120.425 121.223 -0.005 0.000 2.341 356 L HA -0.111 4.229 4.340 0.001 0.000 0.214 356 L C 2.110 179.055 176.870 0.126 0.000 1.115 356 L CA 0.788 55.628 54.840 0.001 0.000 0.820 356 L CB -0.206 41.791 42.059 -0.102 0.000 0.944 356 L HN 0.250 nan 8.230 nan 0.000 0.452 357 Q N -0.836 119.006 119.800 0.070 0.000 2.462 357 Q HA 0.064 4.404 4.340 0.001 0.000 0.224 357 Q C 1.876 177.893 176.000 0.029 0.000 0.911 357 Q CA 0.646 56.490 55.803 0.067 0.000 0.925 357 Q CB 0.471 29.240 28.738 0.052 0.000 1.063 357 Q HN -0.017 nan 8.270 nan 0.000 0.572 358 K N 0.328 120.726 120.400 -0.004 0.000 2.459 358 K HA 0.050 4.370 4.320 0.001 0.000 0.193 358 K C 0.315 176.873 176.600 -0.069 0.000 1.030 358 K CA 0.668 56.930 56.287 -0.041 0.000 1.026 358 K CB 0.678 33.135 32.500 -0.071 0.000 0.809 358 K HN 0.225 nan 8.250 nan 0.000 0.504 359 E N -1.334 118.848 120.200 -0.030 0.000 2.617 359 E HA 0.030 4.381 4.350 0.001 0.000 0.208 359 E C -0.388 176.256 176.600 0.073 0.000 0.888 359 E CA -0.199 56.172 56.400 -0.047 0.000 1.485 359 E CB 0.296 29.908 29.700 -0.147 0.000 1.482 359 E HN 0.022 nan 8.360 nan 0.000 0.813 360 F N 2.656 122.593 119.950 -0.022 0.000 2.391 360 F HA 0.330 4.857 4.527 0.001 0.000 0.359 360 F C 0.112 175.932 175.800 0.033 0.000 1.122 360 F CA -0.803 57.207 58.000 0.017 0.000 1.120 360 F CB 0.377 39.383 39.000 0.011 0.000 1.142 360 F HN -0.126 nan 8.300 nan 0.000 0.483 361 L N 7.498 128.452 121.223 -0.449 0.000 3.826 361 L HA -0.218 4.123 4.340 0.001 0.000 0.566 361 L C -2.001 174.765 176.870 -0.172 0.000 1.217 361 L CA 0.118 54.764 54.840 -0.322 0.000 0.823 361 L CB -1.008 40.694 42.059 -0.595 0.000 1.381 361 L HN 0.553 nan 8.230 nan 0.000 0.825 362 P HA -0.096 nan 4.420 nan 0.000 0.222 362 P C 0.751 178.059 177.300 0.013 0.000 1.153 362 P CA 1.202 64.310 63.100 0.013 0.000 0.798 362 P CB -0.026 31.712 31.700 0.064 0.000 0.796 363 H N -0.431 118.586 119.070 -0.089 0.000 2.307 363 H HA 0.092 4.648 4.556 0.001 0.000 0.349 363 H C 1.461 176.668 175.328 -0.202 0.000 1.754 363 H CA -0.178 55.796 56.048 -0.124 0.000 1.431 363 H CB -0.405 29.297 29.762 -0.101 0.000 1.666 363 H HN -0.203 nan 8.280 nan 0.000 0.582 364 I N -1.655 118.555 120.570 -0.599 0.000 4.877 364 I HA -0.383 3.788 4.170 0.001 0.000 0.039 364 I C 0.815 176.664 176.117 -0.447 0.000 0.634 364 I CA 2.358 63.305 61.300 -0.588 0.000 0.350 364 I CB -1.909 35.698 38.000 -0.656 0.000 0.401 364 I HN 0.883 nan 8.210 nan 0.000 0.151 365 T N -0.495 113.807 114.554 -0.421 0.000 2.802 365 T HA 0.491 4.841 4.350 0.001 0.000 0.311 365 T C -0.344 174.210 174.700 -0.243 0.000 1.405 365 T CA -0.123 61.723 62.100 -0.424 0.000 1.016 365 T CB 2.072 70.422 68.868 -0.863 0.000 1.352 365 T HN 0.427 nan 8.240 nan 0.000 0.498 366 Q N 1.619 121.310 119.800 -0.180 0.000 2.135 366 Q HA 0.452 4.792 4.340 0.001 0.000 0.222 366 Q C 0.342 176.303 176.000 -0.064 0.000 0.808 366 Q CA -0.139 55.612 55.803 -0.086 0.000 1.049 366 Q CB 0.407 29.118 28.738 -0.045 0.000 1.168 366 Q HN 0.577 nan 8.270 nan 0.000 0.483 367 L N -0.051 121.109 121.223 -0.105 0.000 2.776 367 L HA 0.190 4.530 4.340 0.001 0.000 0.165 367 L C 1.157 178.062 176.870 0.058 0.000 1.145 367 L CA 0.075 54.902 54.840 -0.022 0.000 1.230 367 L CB 0.138 42.184 42.059 -0.021 0.000 2.044 367 L HN 0.200 nan 8.230 nan 0.000 0.484 368 E N -0.548 119.729 120.200 0.129 0.000 4.034 368 E HA 0.110 4.460 4.350 0.001 0.000 0.297 368 E C 0.047 176.776 176.600 0.214 0.000 1.372 368 E CA -0.264 56.215 56.400 0.132 0.000 1.555 368 E CB 0.330 30.090 29.700 0.100 0.000 1.488 368 E HN 0.606 nan 8.360 nan 0.000 0.782 369 G N 0.756 109.644 108.800 0.147 0.000 2.662 369 G HA2 -0.075 3.885 3.960 0.001 0.000 0.285 369 G HA3 -0.075 3.885 3.960 0.001 0.000 0.285 369 G C -0.013 174.968 174.900 0.134 0.000 0.672 369 G CA 0.170 45.345 45.100 0.125 0.000 2.098 369 G HN 0.267 nan 8.290 nan 0.000 0.538 370 F N 0.411 120.365 119.950 0.008 0.000 2.147 370 F HA 0.115 4.643 4.527 0.001 0.000 0.291 370 F C 2.108 177.921 175.800 0.023 0.000 1.093 370 F CA 1.115 59.114 58.000 -0.002 0.000 1.263 370 F CB -0.232 38.753 39.000 -0.026 0.000 1.036 370 F HN 0.580 nan 8.300 nan 0.000 0.481 371 E N -1.065 119.275 120.200 0.233 0.000 4.217 371 E HA -0.446 3.904 4.350 0.001 0.000 0.199 371 E C 1.792 178.507 176.600 0.191 0.000 1.296 371 E CA 1.839 58.340 56.400 0.169 0.000 2.222 371 E CB -1.713 28.056 29.700 0.114 0.000 1.890 371 E HN 0.188 nan 8.360 nan 0.000 0.299 372 S N -0.134 115.670 115.700 0.174 0.000 2.423 372 S HA -0.212 4.258 4.470 0.001 0.000 0.238 372 S C 1.649 176.391 174.600 0.237 0.000 1.028 372 S CA 1.724 60.071 58.200 0.245 0.000 1.000 372 S CB -0.121 63.169 63.200 0.149 0.000 0.797 372 S HN 0.216 nan 8.310 nan 0.000 0.487 373 R N 0.287 120.878 120.500 0.152 0.000 2.075 373 R HA 0.064 4.404 4.340 0.001 0.000 0.226 373 R C 2.315 178.701 176.300 0.143 0.000 1.114 373 R CA 1.053 57.207 56.100 0.089 0.000 0.972 373 R CB -0.164 30.225 30.300 0.149 0.000 0.869 373 R HN 0.404 nan 8.270 nan 0.000 0.437 374 K N 0.323 120.836 120.400 0.188 0.000 2.116 374 K HA 0.052 4.372 4.320 0.001 0.000 0.203 374 K C 2.175 178.952 176.600 0.295 0.000 1.052 374 K CA 0.921 57.349 56.287 0.234 0.000 0.952 374 K CB -0.068 32.614 32.500 0.304 0.000 0.729 374 K HN 0.055 nan 8.250 nan 0.000 0.446 375 A N 1.724 124.690 122.820 0.244 0.000 1.849 375 A HA -0.205 4.115 4.320 0.001 0.000 0.217 375 A C 1.962 179.752 177.584 0.343 0.000 1.202 375 A CA 1.576 53.716 52.037 0.173 0.000 0.629 375 A CB -1.115 18.099 19.000 0.357 0.000 0.834 375 A HN 0.225 nan 8.150 nan 0.000 0.447 376 F N -1.741 118.351 119.950 0.237 0.000 2.225 376 F HA -0.210 4.317 4.527 0.001 0.000 0.302 376 F C 1.992 178.123 175.800 0.552 0.000 1.068 376 F CA 1.876 59.986 58.000 0.184 0.000 1.327 376 F CB -0.381 38.467 39.000 -0.252 0.000 1.043 376 F HN 0.353 nan 8.300 nan 0.000 0.506 377 F N -0.158 120.071 119.950 0.465 0.000 2.147 377 F HA -0.053 4.474 4.527 0.001 0.000 0.291 377 F C 2.151 178.201 175.800 0.417 0.000 1.093 377 F CA 0.964 59.233 58.000 0.448 0.000 1.263 377 F CB -0.874 38.246 39.000 0.200 0.000 1.036 377 F HN -0.093 nan 8.300 nan 0.000 0.481 378 L N 0.219 121.626 121.223 0.307 0.000 2.265 378 L HA 0.039 4.380 4.340 0.001 0.000 0.215 378 L C 2.084 179.125 176.870 0.286 0.000 1.117 378 L CA 2.055 57.001 54.840 0.176 0.000 0.782 378 L CB -1.151 40.998 42.059 0.151 0.000 0.914 378 L HN 0.175 nan 8.230 nan 0.000 0.441 379 G N -1.650 107.427 108.800 0.463 0.000 2.494 379 G HA2 -0.272 3.688 3.960 0.001 0.000 0.216 379 G HA3 -0.272 3.688 3.960 0.001 0.000 0.216 379 G C 1.433 176.616 174.900 0.473 0.000 1.140 379 G CA 0.662 46.117 45.100 0.592 0.000 0.801 379 G HN 0.596 nan 8.290 nan 0.000 0.536 380 Y N 0.669 121.190 120.300 0.368 0.000 2.314 380 Y HA 0.172 4.722 4.550 0.001 0.000 0.294 380 Y C 2.746 178.662 175.900 0.027 0.000 1.119 380 Y CA 0.871 59.135 58.100 0.273 0.000 1.179 380 Y CB -0.030 38.633 38.460 0.339 0.000 1.025 380 Y HN 0.062 nan 8.280 nan 0.000 0.541 381 M N 0.134 119.769 119.600 0.058 0.000 2.115 381 M HA -0.294 4.186 4.480 0.001 0.000 0.258 381 M C 1.967 178.215 176.300 -0.087 0.000 1.071 381 M CA 1.861 57.108 55.300 -0.089 0.000 1.100 381 M CB -0.674 31.880 32.600 -0.075 0.000 1.292 381 M HN 0.296 nan 8.290 nan 0.000 0.415 382 I N 0.671 121.253 120.570 0.020 0.000 2.091 382 I HA -0.372 3.799 4.170 0.001 0.000 0.240 382 I C 2.122 178.193 176.117 -0.076 0.000 1.046 382 I CA 2.247 63.557 61.300 0.017 0.000 1.306 382 I CB -2.027 36.030 38.000 0.095 0.000 1.018 382 I HN 0.512 nan 8.210 nan 0.000 0.404 383 N N 0.548 119.177 118.700 -0.119 0.000 2.091 383 N HA -0.230 4.511 4.740 0.001 0.000 0.193 383 N C 2.040 177.385 175.510 -0.274 0.000 1.021 383 N CA 1.418 54.328 53.050 -0.234 0.000 0.862 383 N CB 0.033 38.303 38.487 -0.361 0.000 1.018 383 N HN 0.207 nan 8.380 nan 0.000 0.429 384 R N 0.228 120.514 120.500 -0.355 0.000 2.073 384 R HA -0.058 4.283 4.340 0.001 0.000 0.229 384 R C 2.269 178.458 176.300 -0.186 0.000 1.120 384 R CA 0.707 56.606 56.100 -0.335 0.000 0.967 384 R CB -0.830 29.196 30.300 -0.457 0.000 0.862 384 R HN 0.394 nan 8.270 nan 0.000 0.436 385 L N 1.169 122.311 121.223 -0.135 0.000 1.932 385 L HA -0.202 4.138 4.340 0.001 0.000 0.217 385 L C 2.297 179.129 176.870 -0.063 0.000 1.077 385 L CA 1.543 56.347 54.840 -0.060 0.000 0.765 385 L CB -0.587 41.457 42.059 -0.024 0.000 0.888 385 L HN 0.097 nan 8.230 nan 0.000 0.433 386 L N -0.530 120.639 121.223 -0.090 0.000 2.034 386 L HA -0.302 4.038 4.340 0.001 0.000 0.217 386 L C 2.549 179.349 176.870 -0.116 0.000 1.077 386 L CA 1.168 55.941 54.840 -0.112 0.000 0.769 386 L CB -0.917 41.077 42.059 -0.109 0.000 0.890 386 L HN 0.407 nan 8.230 nan 0.000 0.435 387 L N -0.868 120.281 121.223 -0.123 0.000 2.447 387 L HA -0.223 4.117 4.340 0.001 0.000 0.225 387 L C 2.205 179.029 176.870 -0.076 0.000 1.148 387 L CA 1.438 56.208 54.840 -0.117 0.000 0.808 387 L CB -0.683 41.290 42.059 -0.142 0.000 0.928 387 L HN 0.401 nan 8.230 nan 0.000 0.448 388 C N -2.184 117.092 119.300 -0.041 0.000 2.480 388 C HA 0.290 4.750 4.460 0.001 0.000 0.304 388 C C 2.897 177.937 174.990 0.083 0.000 1.399 388 C CA 0.364 59.408 59.018 0.044 0.000 1.900 388 C CB -0.744 27.064 27.740 0.114 0.000 2.194 388 C HN 0.590 nan 8.230 nan 0.000 0.550 389 A N 0.591 123.360 122.820 -0.085 0.000 2.032 389 A HA -0.128 4.193 4.320 0.001 0.000 0.221 389 A C 1.956 179.448 177.584 -0.154 0.000 1.165 389 A CA 1.708 53.516 52.037 -0.382 0.000 0.645 389 A CB -0.743 17.903 19.000 -0.590 0.000 0.807 389 A HN 0.703 nan 8.150 nan 0.000 0.453 390 L N -1.631 119.524 121.223 -0.113 0.000 2.554 390 L HA -0.007 4.333 4.340 0.001 0.000 0.226 390 L C 0.088 176.920 176.870 -0.064 0.000 1.137 390 L CA 0.523 55.303 54.840 -0.101 0.000 0.863 390 L CB -0.323 41.659 42.059 -0.128 0.000 0.985 390 L HN 0.367 nan 8.230 nan 0.000 0.451 391 D N -0.688 119.698 120.400 -0.024 0.000 2.835 391 D HA -0.208 4.433 4.640 0.001 0.000 0.230 391 D C 1.223 177.508 176.300 -0.025 0.000 1.130 391 D CA 0.500 54.497 54.000 -0.005 0.000 0.738 391 D CB -0.492 40.306 40.800 -0.003 0.000 1.090 391 D HN 0.176 nan 8.370 nan 0.000 0.433 392 R N -0.653 119.824 120.500 -0.038 0.000 2.335 392 R HA 0.182 4.523 4.340 0.001 0.000 0.210 392 R C 0.182 176.460 176.300 -0.037 0.000 0.892 392 R CA 0.180 56.253 56.100 -0.045 0.000 1.048 392 R CB 0.478 30.739 30.300 -0.065 0.000 1.067 392 R HN -0.072 nan 8.270 nan 0.000 0.524 393 K N 0.615 120.996 120.400 -0.032 0.000 2.523 393 K HA 0.189 4.509 4.320 0.001 0.000 0.257 393 K C -1.860 174.728 176.600 -0.019 0.000 0.932 393 K CA -0.673 55.597 56.287 -0.029 0.000 0.812 393 K CB 1.528 34.001 32.500 -0.044 0.000 1.326 393 K HN -0.148 nan 8.250 nan 0.000 0.433 394 D N 1.510 121.902 120.400 -0.014 0.000 2.361 394 D HA 0.045 4.685 4.640 0.001 0.000 0.239 394 D C -0.106 176.184 176.300 -0.016 0.000 1.200 394 D CA -0.050 53.946 54.000 -0.007 0.000 0.915 394 D CB 0.455 41.256 40.800 0.002 0.000 1.170 394 D HN 0.419 nan 8.370 nan 0.000 0.444 395 Q N 0.449 120.241 119.800 -0.014 0.000 2.394 395 Q HA -0.086 4.255 4.340 0.001 0.000 0.303 395 Q C -0.586 175.417 176.000 0.006 0.000 1.117 395 Q CA 0.280 56.073 55.803 -0.016 0.000 0.966 395 Q CB 0.497 29.248 28.738 0.021 0.000 1.275 395 Q HN 0.380 nan 8.270 nan 0.000 0.429 396 D N 2.547 122.928 120.400 -0.031 0.000 2.317 396 D HA -0.011 4.629 4.640 0.001 0.000 0.252 396 D C -0.769 175.635 176.300 0.173 0.000 1.174 396 D CA -0.031 53.968 54.000 -0.003 0.000 0.866 396 D CB 0.691 41.386 40.800 -0.175 0.000 1.127 396 D HN 0.474 nan 8.370 nan 0.000 0.467 397 D N 2.187 122.686 120.400 0.166 0.000 2.389 397 D HA -0.065 4.575 4.640 0.001 0.000 0.263 397 D C 0.672 177.125 176.300 0.254 0.000 1.255 397 D CA 0.115 54.247 54.000 0.220 0.000 0.914 397 D CB 0.455 41.408 40.800 0.256 0.000 1.116 397 D HN 0.356 nan 8.370 nan 0.000 0.502 398 R N 1.987 122.636 120.500 0.248 0.000 2.391 398 R HA 0.206 4.547 4.340 0.001 0.000 0.249 398 R C -0.230 176.164 176.300 0.157 0.000 0.957 398 R CA -0.171 56.062 56.100 0.222 0.000 1.093 398 R CB 0.589 30.965 30.300 0.126 0.000 1.156 398 R HN 0.122 nan 8.270 nan 0.000 0.526 399 D N -0.367 120.139 120.400 0.176 0.000 2.594 399 D HA 0.005 4.646 4.640 0.001 0.000 0.256 399 D C -0.658 175.605 176.300 -0.061 0.000 1.393 399 D CA -0.177 53.907 54.000 0.140 0.000 0.797 399 D CB 0.256 41.202 40.800 0.243 0.000 1.110 399 D HN 0.204 nan 8.370 nan 0.000 0.495 400 H N 0.651 119.649 119.070 -0.118 0.000 2.848 400 H HA -0.006 4.550 4.556 0.001 0.000 0.317 400 H C 0.525 175.812 175.328 -0.068 0.000 1.046 400 H CA 0.104 56.011 56.048 -0.235 0.000 1.470 400 H CB 0.523 30.241 29.762 -0.074 0.000 1.483 400 H HN -0.050 nan 8.280 nan 0.000 0.548 401 F N 3.326 123.206 119.950 -0.116 0.000 2.365 401 F HA 0.040 4.567 4.527 0.000 0.000 0.300 401 F C 2.200 178.058 175.800 0.097 0.000 1.090 401 F CA 1.213 59.237 58.000 0.040 0.000 1.408 401 F CB 0.028 39.086 39.000 0.096 0.000 1.060 401 F HN 0.696 nan 8.300 nan 0.000 0.534 402 G N -0.728 108.250 108.800 0.297 0.000 3.279 402 G HA2 -0.011 3.950 3.960 0.001 0.000 0.230 402 G HA3 -0.011 3.950 3.960 0.001 0.000 0.230 402 G C 1.161 175.962 174.900 -0.165 0.000 1.230 402 G CA 0.023 45.141 45.100 0.031 0.000 0.891 402 G HN 0.201 nan 8.290 nan 0.000 0.518 403 K N -0.511 119.819 120.400 -0.115 0.000 2.517 403 K HA 0.211 4.531 4.320 0.001 0.000 0.210 403 K C 0.606 177.129 176.600 -0.128 0.000 1.166 403 K CA 0.071 56.273 56.287 -0.143 0.000 1.030 403 K CB 0.781 33.239 32.500 -0.071 0.000 0.974 403 K HN 0.154 nan 8.250 nan 0.000 0.585 404 K N 0.520 120.800 120.400 -0.200 0.000 2.238 404 K HA 0.508 4.828 4.320 0.001 0.000 0.239 404 K C -0.443 175.975 176.600 -0.304 0.000 0.987 404 K CA -1.121 55.033 56.287 -0.222 0.000 0.857 404 K CB 1.689 34.054 32.500 -0.224 0.000 1.154 404 K HN -0.244 nan 8.250 nan 0.000 0.439 405 R N 1.014 121.385 120.500 -0.214 0.000 2.744 405 R HA 0.454 4.794 4.340 0.001 0.000 0.279 405 R C -0.791 175.427 176.300 -0.137 0.000 0.977 405 R CA -0.824 55.166 56.100 -0.185 0.000 0.906 405 R CB 1.145 31.379 30.300 -0.110 0.000 1.197 405 R HN 0.545 nan 8.270 nan 0.000 0.463 406 L N 2.271 123.423 121.223 -0.117 0.000 2.265 406 L HA 0.289 4.629 4.340 0.001 0.000 0.289 406 L C -0.337 176.517 176.870 -0.027 0.000 1.033 406 L CA -0.565 54.238 54.840 -0.061 0.000 0.814 406 L CB 1.195 43.225 42.059 -0.048 0.000 1.203 406 L HN 0.295 nan 8.230 nan 0.000 0.423 407 D N 4.168 124.558 120.400 -0.016 0.000 2.380 407 D HA 0.350 4.990 4.640 0.001 0.000 0.230 407 D C 0.079 176.381 176.300 0.002 0.000 1.154 407 D CA -0.062 53.941 54.000 0.006 0.000 0.859 407 D CB 1.312 42.123 40.800 0.019 0.000 1.045 407 D HN 0.195 nan 8.370 nan 0.000 0.495 408 L N 1.378 122.616 121.223 0.024 0.000 2.744 408 L HA 0.383 4.723 4.340 0.001 0.000 0.218 408 L C 2.022 178.925 176.870 0.055 0.000 1.190 408 L CA -0.203 54.655 54.840 0.031 0.000 0.869 408 L CB 0.162 42.249 42.059 0.047 0.000 1.652 408 L HN 0.381 nan 8.230 nan 0.000 0.519 409 A N -0.133 122.745 122.820 0.096 0.000 1.892 409 A HA -0.159 4.161 4.320 0.001 0.000 0.218 409 A C 1.954 179.640 177.584 0.169 0.000 1.188 409 A CA 2.217 54.352 52.037 0.163 0.000 0.631 409 A CB -1.679 17.488 19.000 0.278 0.000 0.822 409 A HN 0.861 nan 8.150 nan 0.000 0.447 410 G N -0.287 108.616 108.800 0.173 0.000 2.705 410 G HA2 -0.099 3.862 3.960 0.001 0.000 0.214 410 G HA3 -0.099 3.862 3.960 0.001 0.000 0.214 410 G C -0.233 174.693 174.900 0.042 0.000 1.321 410 G CA 1.145 46.297 45.100 0.086 0.000 0.826 410 G HN 0.423 nan 8.290 nan 0.000 0.595 411 P HA -0.185 nan 4.420 nan 0.000 0.224 411 P C 1.912 179.301 177.300 0.147 0.000 1.154 411 P CA 1.254 64.431 63.100 0.128 0.000 0.868 411 P CB -0.184 31.573 31.700 0.096 0.000 0.782 412 L N -2.370 118.956 121.223 0.172 0.000 2.068 412 L HA -0.076 4.264 4.340 0.001 0.000 0.204 412 L C 2.722 179.840 176.870 0.414 0.000 1.076 412 L CA 1.007 56.077 54.840 0.382 0.000 0.753 412 L CB -0.931 41.312 42.059 0.306 0.000 0.910 412 L HN -0.055 nan 8.230 nan 0.000 0.439 413 L N 0.054 121.375 121.223 0.164 0.000 2.046 413 L HA -0.198 4.143 4.340 0.001 0.000 0.208 413 L C 2.939 179.793 176.870 -0.026 0.000 1.077 413 L CA 1.164 55.948 54.840 -0.094 0.000 0.747 413 L CB -0.792 40.906 42.059 -0.602 0.000 0.896 413 L HN 0.234 nan 8.230 nan 0.000 0.432 414 A N -0.070 122.772 122.820 0.037 0.000 1.870 414 A HA -0.378 3.943 4.320 0.001 0.000 0.219 414 A C 2.205 179.918 177.584 0.216 0.000 1.224 414 A CA 2.442 54.672 52.037 0.321 0.000 0.650 414 A CB -0.889 18.285 19.000 0.290 0.000 0.836 414 A HN 0.512 nan 8.150 nan 0.000 0.454 415 Q N -0.980 118.899 119.800 0.131 0.000 2.077 415 Q HA -0.177 4.164 4.340 0.001 0.000 0.206 415 Q C 2.203 178.204 176.000 0.002 0.000 0.989 415 Q CA 1.700 57.541 55.803 0.065 0.000 0.853 415 Q CB -0.327 28.450 28.738 0.065 0.000 0.907 415 Q HN 0.706 nan 8.270 nan 0.000 0.418 416 L N -0.616 120.557 121.223 -0.082 0.000 2.093 416 L HA -0.166 4.175 4.340 0.001 0.000 0.208 416 L C 2.143 178.963 176.870 -0.082 0.000 1.085 416 L CA 0.813 55.514 54.840 -0.232 0.000 0.755 416 L CB -0.144 41.612 42.059 -0.504 0.000 0.904 416 L HN 0.225 nan 8.230 nan 0.000 0.435 417 F N 0.681 120.603 119.950 -0.046 0.000 2.060 417 F HA -0.279 4.248 4.527 0.000 0.000 0.295 417 F C 2.418 178.262 175.800 0.074 0.000 1.120 417 F CA 1.721 59.746 58.000 0.042 0.000 1.205 417 F CB -0.043 39.062 39.000 0.174 0.000 0.986 417 F HN -0.099 nan 8.300 nan 0.000 0.470 418 K N -0.465 120.132 120.400 0.328 0.000 2.015 418 K HA -0.250 4.070 4.320 0.001 0.000 0.220 418 K C 1.865 178.517 176.600 0.085 0.000 1.055 418 K CA 2.503 58.918 56.287 0.214 0.000 0.951 418 K CB -1.209 31.354 32.500 0.106 0.000 0.725 418 K HN 0.225 nan 8.250 nan 0.000 0.449 419 T N 1.841 116.398 114.554 0.005 0.000 2.665 419 T HA -0.154 4.197 4.350 0.001 0.000 0.268 419 T C 1.950 176.596 174.700 -0.091 0.000 1.035 419 T CA 1.407 63.472 62.100 -0.058 0.000 1.151 419 T CB -0.255 68.557 68.868 -0.093 0.000 0.862 419 T HN 0.119 nan 8.240 nan 0.000 0.438 420 L N -0.487 120.658 121.223 -0.131 0.000 2.044 420 L HA 0.041 4.381 4.340 0.001 0.000 0.205 420 L C 2.268 179.055 176.870 -0.137 0.000 1.075 420 L CA 1.039 55.766 54.840 -0.189 0.000 0.747 420 L CB -0.435 41.438 42.059 -0.309 0.000 0.903 420 L HN 0.183 nan 8.230 nan 0.000 0.435 421 F N 0.830 120.602 119.950 -0.297 0.000 2.171 421 F HA -0.189 4.338 4.527 0.001 0.000 0.300 421 F C 2.457 178.181 175.800 -0.127 0.000 1.090 421 F CA 1.461 59.321 58.000 -0.234 0.000 1.293 421 F CB -0.262 38.668 39.000 -0.116 0.000 1.013 421 F HN -0.138 nan 8.300 nan 0.000 0.486 422 K N 0.802 121.058 120.400 -0.239 0.000 2.097 422 K HA -0.218 4.102 4.320 0.001 0.000 0.206 422 K C 2.166 178.656 176.600 -0.184 0.000 1.049 422 K CA 1.372 57.498 56.287 -0.268 0.000 0.933 422 K CB -0.507 31.917 32.500 -0.126 0.000 0.717 422 K HN 0.336 nan 8.250 nan 0.000 0.442 423 K N 0.876 121.197 120.400 -0.133 0.000 2.211 423 K HA -0.122 4.198 4.320 0.001 0.000 0.203 423 K C 2.006 178.547 176.600 -0.098 0.000 1.050 423 K CA 0.629 56.857 56.287 -0.098 0.000 0.945 423 K CB -0.014 32.428 32.500 -0.097 0.000 0.732 423 K HN -0.027 nan 8.250 nan 0.000 0.451 424 L N 0.710 121.853 121.223 -0.133 0.000 2.131 424 L HA -0.028 4.312 4.340 0.001 0.000 0.206 424 L C 1.763 178.565 176.870 -0.114 0.000 1.087 424 L CA 1.686 56.461 54.840 -0.109 0.000 0.767 424 L CB -0.550 41.464 42.059 -0.075 0.000 0.917 424 L HN 0.092 nan 8.230 nan 0.000 0.441 425 T N -0.314 114.099 114.554 -0.236 0.000 2.614 425 T HA -0.243 4.107 4.350 0.001 0.000 0.263 425 T C 1.857 176.553 174.700 -0.008 0.000 1.055 425 T CA 1.727 63.727 62.100 -0.168 0.000 1.162 425 T CB -0.294 68.392 68.868 -0.302 0.000 0.863 425 T HN 0.269 nan 8.240 nan 0.000 0.414 426 K N 0.580 120.989 120.400 0.016 0.000 2.189 426 K HA -0.247 4.073 4.320 0.001 0.000 0.207 426 K C 1.959 178.629 176.600 0.116 0.000 1.046 426 K CA 1.740 58.088 56.287 0.102 0.000 0.928 426 K CB -0.190 32.331 32.500 0.035 0.000 0.720 426 K HN 0.275 nan 8.250 nan 0.000 0.458 427 D N 0.291 120.728 120.400 0.063 0.000 2.097 427 D HA -0.126 4.514 4.640 0.001 0.000 0.197 427 D C 1.887 178.270 176.300 0.138 0.000 0.984 427 D CA 0.943 54.986 54.000 0.072 0.000 0.826 427 D CB 0.018 40.829 40.800 0.020 0.000 0.973 427 D HN 0.164 nan 8.370 nan 0.000 0.460 428 I N 0.220 120.870 120.570 0.134 0.000 2.315 428 I HA -0.191 3.979 4.170 0.001 0.000 0.248 428 I C 2.451 178.682 176.117 0.189 0.000 1.117 428 I CA 0.689 62.091 61.300 0.170 0.000 1.404 428 I CB -1.322 36.756 38.000 0.131 0.000 1.071 428 I HN 0.004 nan 8.210 nan 0.000 0.419 429 F N 1.677 121.659 119.950 0.054 0.000 2.126 429 F HA -0.242 4.285 4.527 0.001 0.000 0.299 429 F C 2.944 178.761 175.800 0.027 0.000 1.096 429 F CA 1.179 59.195 58.000 0.027 0.000 1.255 429 F CB 0.012 39.019 39.000 0.011 0.000 0.997 429 F HN -0.015 nan 8.300 nan 0.000 0.479 430 R N -1.059 119.593 120.500 0.254 0.000 2.057 430 R HA -0.207 4.134 4.340 0.001 0.000 0.229 430 R C 2.039 178.435 176.300 0.159 0.000 1.136 430 R CA 1.581 57.771 56.100 0.151 0.000 0.952 430 R CB -0.818 29.550 30.300 0.113 0.000 0.848 430 R HN 0.324 nan 8.270 nan 0.000 0.430 431 Y N 0.756 121.099 120.300 0.072 0.000 2.574 431 Y HA -0.138 4.413 4.550 0.001 0.000 0.294 431 Y C 1.993 177.930 175.900 0.061 0.000 1.142 431 Y CA 0.891 59.023 58.100 0.054 0.000 1.314 431 Y CB -0.024 38.461 38.460 0.042 0.000 0.991 431 Y HN -0.031 nan 8.280 nan 0.000 0.555 432 M N 0.062 119.649 119.600 -0.021 0.000 2.081 432 M HA -0.210 4.270 4.480 0.001 0.000 0.261 432 M C 2.198 178.448 176.300 -0.083 0.000 1.075 432 M CA 1.910 57.164 55.300 -0.077 0.000 1.133 432 M CB -0.353 32.288 32.600 0.070 0.000 1.330 432 M HN 0.229 nan 8.290 nan 0.000 0.414 433 Q N -0.726 119.077 119.800 0.005 0.000 2.133 433 Q HA -0.264 4.076 4.340 0.001 0.000 0.208 433 Q C 2.186 178.158 176.000 -0.046 0.000 0.991 433 Q CA 1.926 57.724 55.803 -0.008 0.000 0.867 433 Q CB -0.404 28.339 28.738 0.007 0.000 0.911 433 Q HN 0.451 nan 8.270 nan 0.000 0.417 434 R N 0.096 120.557 120.500 -0.066 0.000 2.080 434 R HA -0.082 4.258 4.340 0.001 0.000 0.236 434 R C 0.981 177.206 176.300 -0.126 0.000 1.137 434 R CA 1.527 57.585 56.100 -0.070 0.000 0.943 434 R CB -0.298 29.990 30.300 -0.020 0.000 0.846 434 R HN 0.186 nan 8.270 nan 0.000 0.431 435 T N 1.599 115.995 114.554 -0.262 0.000 4.210 435 T HA 0.053 4.403 4.350 0.001 0.000 0.229 435 T C 1.141 175.769 174.700 -0.120 0.000 0.813 435 T CA -0.120 61.840 62.100 -0.233 0.000 0.888 435 T CB -0.060 68.572 68.868 -0.392 0.000 1.327 435 T HN -0.011 nan 8.240 nan 0.000 0.739 436 V N 0.853 120.722 119.914 -0.075 0.000 3.244 436 V HA -0.113 4.007 4.120 0.001 0.000 0.273 436 V C 0.954 177.026 176.094 -0.037 0.000 1.180 436 V CA 1.038 63.310 62.300 -0.046 0.000 1.182 436 V CB -1.399 30.405 31.823 -0.031 0.000 0.796 436 V HN 0.834 nan 8.190 nan 0.000 0.543 447 A N 1.920 124.749 122.820 0.015 0.000 2.535 447 A HA 0.490 4.811 4.320 0.001 0.000 0.290 447 A C -0.124 177.277 177.584 -0.306 0.000 1.270 447 A CA 0.515 52.465 52.037 -0.144 0.000 0.937 447 A CB -1.567 17.317 19.000 -0.192 0.000 1.096 447 A HN 0.389 nan 8.150 nan 0.000 0.534 448 I N 1.082 121.549 120.570 -0.171 0.000 3.516 448 I HA 0.376 4.546 4.170 0.001 0.000 0.297 448 I C 0.047 176.078 176.117 -0.144 0.000 1.139 448 I CA -1.433 59.772 61.300 -0.158 0.000 1.020 448 I CB 1.949 39.915 38.000 -0.056 0.000 1.341 448 I HN 0.667 nan 8.210 nan 0.000 0.490 449 N N 0.227 118.850 118.700 -0.129 0.000 2.746 449 N HA 0.500 5.241 4.740 0.001 0.000 0.250 449 N C 0.490 175.900 175.510 -0.168 0.000 1.146 449 N CA -0.043 52.929 53.050 -0.129 0.000 0.828 449 N CB 1.180 39.602 38.487 -0.109 0.000 1.158 449 N HN 0.597 nan 8.380 nan 0.000 0.519 450 A N 2.701 125.391 122.820 -0.217 0.000 1.908 450 A HA -0.173 4.148 4.320 0.001 0.000 0.218 450 A C 1.989 179.410 177.584 -0.272 0.000 1.181 450 A CA 1.315 53.135 52.037 -0.361 0.000 0.627 450 A CB -0.253 18.419 19.000 -0.546 0.000 0.818 450 A HN 0.624 nan 8.150 nan 0.000 0.445 451 K N -0.842 119.457 120.400 -0.167 0.000 2.280 451 K HA -0.108 4.212 4.320 0.001 0.000 0.202 451 K C 1.937 178.466 176.600 -0.118 0.000 1.047 451 K CA 1.394 57.613 56.287 -0.113 0.000 0.942 451 K CB -0.281 32.185 32.500 -0.057 0.000 0.739 451 K HN 0.567 nan 8.250 nan 0.000 0.457 452 T N 1.794 116.267 114.554 -0.134 0.000 2.597 452 T HA -0.205 4.146 4.350 0.001 0.000 0.267 452 T C 1.762 176.357 174.700 -0.174 0.000 1.053 452 T CA 1.709 63.725 62.100 -0.139 0.000 1.165 452 T CB -0.182 68.604 68.868 -0.137 0.000 0.863 452 T HN 0.208 nan 8.240 nan 0.000 0.427 453 I N 0.862 121.298 120.570 -0.222 0.000 2.252 453 I HA -0.149 4.021 4.170 0.001 0.000 0.245 453 I C 2.710 178.706 176.117 -0.202 0.000 1.102 453 I CA 1.215 62.345 61.300 -0.283 0.000 1.385 453 I CB -1.133 36.644 38.000 -0.373 0.000 1.064 453 I HN 0.280 nan 8.210 nan 0.000 0.414 454 T N -0.052 114.405 114.554 -0.162 0.000 2.674 454 T HA -0.167 4.183 4.350 0.001 0.000 0.265 454 T C 2.104 176.776 174.700 -0.046 0.000 1.039 454 T CA 2.038 64.089 62.100 -0.081 0.000 1.150 454 T CB -0.157 68.679 68.868 -0.053 0.000 0.864 454 T HN 0.217 nan 8.240 nan 0.000 0.427 455 S N -0.239 115.432 115.700 -0.049 0.000 2.496 455 S HA 0.146 4.617 4.470 0.001 0.000 0.224 455 S C 2.147 176.745 174.600 -0.003 0.000 0.996 455 S CA 0.842 59.036 58.200 -0.010 0.000 0.927 455 S CB -0.404 62.791 63.200 -0.007 0.000 0.774 455 S HN 0.568 nan 8.310 nan 0.000 0.524 456 G N 1.062 109.822 108.800 -0.067 0.000 2.408 456 G HA2 -0.008 3.953 3.960 0.001 0.000 0.215 456 G HA3 -0.008 3.953 3.960 0.001 0.000 0.215 456 G C 1.259 176.107 174.900 -0.086 0.000 1.156 456 G CA 0.321 45.362 45.100 -0.099 0.000 0.793 456 G HN 0.482 nan 8.290 nan 0.000 0.535 457 L N -0.264 120.901 121.223 -0.097 0.000 2.240 457 L HA 0.112 4.452 4.340 0.001 0.000 0.211 457 L C 2.846 179.710 176.870 -0.010 0.000 1.106 457 L CA 0.623 55.409 54.840 -0.090 0.000 0.793 457 L CB -0.107 41.907 42.059 -0.076 0.000 0.927 457 L HN 0.122 nan 8.230 nan 0.000 0.446 458 K N -0.552 119.862 120.400 0.023 0.000 2.001 458 K HA -0.223 4.097 4.320 0.001 0.000 0.208 458 K C 2.148 178.794 176.600 0.078 0.000 1.048 458 K CA 1.740 58.057 56.287 0.050 0.000 0.932 458 K CB -0.303 32.225 32.500 0.048 0.000 0.715 458 K HN 0.188 nan 8.250 nan 0.000 0.437 459 Y N 0.963 121.247 120.300 -0.026 0.000 2.165 459 Y HA -0.297 4.254 4.550 0.001 0.000 0.286 459 Y C 2.078 177.979 175.900 0.002 0.000 1.155 459 Y CA 1.531 59.622 58.100 -0.016 0.000 1.164 459 Y CB -0.017 38.423 38.460 -0.033 0.000 0.978 459 Y HN 0.087 nan 8.280 nan 0.000 0.513 460 A N -0.187 122.824 122.820 0.319 0.000 1.968 460 A HA -0.057 4.263 4.320 0.001 0.000 0.217 460 A C 2.110 179.902 177.584 0.347 0.000 1.169 460 A CA 1.258 53.451 52.037 0.259 0.000 0.638 460 A CB -0.726 18.180 19.000 -0.157 0.000 0.812 460 A HN 0.552 nan 8.150 nan 0.000 0.446 461 L N -1.162 120.197 121.223 0.227 0.000 2.446 461 L HA 0.004 4.344 4.340 0.001 0.000 0.219 461 L C 2.882 179.809 176.870 0.094 0.000 1.116 461 L CA 0.706 55.663 54.840 0.196 0.000 0.844 461 L CB -0.386 41.698 42.059 0.041 0.000 0.970 461 L HN 0.459 nan 8.230 nan 0.000 0.457 462 A N 0.155 122.998 122.820 0.038 0.000 1.873 462 A HA -0.094 4.226 4.320 0.001 0.000 0.215 462 A C 1.607 179.149 177.584 -0.069 0.000 1.186 462 A CA 1.922 53.932 52.037 -0.045 0.000 0.616 462 A CB -0.536 18.381 19.000 -0.139 0.000 0.823 462 A HN 0.448 nan 8.150 nan 0.000 0.442 463 T N -4.582 109.922 114.554 -0.082 0.000 2.850 463 T HA 0.540 4.891 4.350 0.001 0.000 0.269 463 T C 1.310 176.053 174.700 0.072 0.000 1.075 463 T CA 0.126 62.201 62.100 -0.042 0.000 0.987 463 T CB 0.629 69.430 68.868 -0.112 0.000 1.889 463 T HN 0.271 nan 8.240 nan 0.000 0.584 464 G N 0.149 109.004 108.800 0.091 0.000 2.719 464 G HA2 0.055 4.016 3.960 0.001 0.000 0.211 464 G HA3 0.055 4.016 3.960 0.001 0.000 0.211 464 G C 0.438 175.477 174.900 0.232 0.000 1.140 464 G CA -0.407 44.765 45.100 0.119 0.000 0.790 464 G HN 0.622 nan 8.290 nan 0.000 0.529 465 N N 1.537 120.392 118.700 0.259 0.000 2.598 465 N HA -0.064 4.676 4.740 0.001 0.000 0.300 465 N C -0.292 175.419 175.510 0.335 0.000 1.224 465 N CA -0.129 53.093 53.050 0.287 0.000 1.125 465 N CB -0.340 38.346 38.487 0.332 0.000 1.468 465 N HN 0.433 nan 8.380 nan 0.000 0.504 466 W N 1.396 122.729 121.300 0.056 0.000 1.872 466 W HA 0.158 4.818 4.660 0.000 0.000 0.503 466 W C 0.462 176.990 176.519 0.015 0.000 0.794 466 W CA -0.198 57.165 57.345 0.030 0.000 1.972 466 W CB -0.209 29.260 29.460 0.015 0.000 1.730 466 W HN 0.547 nan 8.180 nan 0.000 0.253 467 G N 1.751 110.464 108.800 -0.145 0.000 4.452 467 G HA2 -0.124 3.837 3.960 0.001 0.000 0.157 467 G HA3 -0.124 3.837 3.960 0.001 0.000 0.157 467 G C -0.093 174.674 174.900 -0.222 0.000 0.823 467 G CA -0.088 44.908 45.100 -0.173 0.000 0.808 467 G HN 0.276 nan 8.290 nan 0.000 0.443 468 E N 1.053 121.104 120.200 -0.248 0.000 7.439 468 E HA -0.202 4.148 4.350 0.001 0.000 0.300 468 E C 0.598 176.890 176.600 -0.514 0.000 0.813 468 E CA 0.913 57.057 56.400 -0.427 0.000 1.419 468 E CB -0.701 28.804 29.700 -0.325 0.000 0.921 468 E HN 1.008 nan 8.360 nan 0.000 0.266 469 Q N 2.306 121.541 119.800 -0.941 0.000 2.275 469 Q HA -0.274 4.066 4.340 0.001 0.000 0.358 469 Q C 0.535 176.394 176.000 -0.235 0.000 1.225 469 Q CA 2.345 57.804 55.803 -0.572 0.000 1.106 469 Q CB -0.872 27.545 28.738 -0.535 0.000 1.359 469 Q HN 0.640 nan 8.270 nan 0.000 0.413 470 K N 1.312 121.613 120.400 -0.164 0.000 2.325 470 K HA -0.022 4.298 4.320 0.001 0.000 0.203 470 K C 0.515 177.099 176.600 -0.028 0.000 1.128 470 K CA 0.646 56.884 56.287 -0.081 0.000 0.931 470 K CB 0.359 32.815 32.500 -0.073 0.000 1.125 470 K HN 0.264 nan 8.250 nan 0.000 0.487 471 K N -0.886 119.511 120.400 -0.004 0.000 3.281 471 K HA -0.290 4.030 4.320 0.001 0.000 0.308 471 K C 0.655 177.276 176.600 0.036 0.000 1.218 471 K CA 1.522 57.834 56.287 0.041 0.000 0.923 471 K CB -2.680 29.859 32.500 0.065 0.000 1.222 471 K HN 0.249 nan 8.250 nan 0.000 0.440 472 A N 0.294 123.127 122.820 0.022 0.000 1.930 472 A HA 0.178 4.499 4.320 0.001 0.000 0.217 472 A C 1.116 178.721 177.584 0.035 0.000 1.175 472 A CA 1.401 53.453 52.037 0.024 0.000 0.627 472 A CB -0.168 18.842 19.000 0.016 0.000 0.815 472 A HN 0.460 nan 8.150 nan 0.000 0.443 473 M N 0.948 120.573 119.600 0.042 0.000 2.162 473 M HA 0.121 4.601 4.480 0.001 0.000 0.356 473 M C 1.119 177.459 176.300 0.067 0.000 1.303 473 M CA 0.006 55.339 55.300 0.056 0.000 1.116 473 M CB 1.301 33.939 32.600 0.064 0.000 1.632 473 M HN 0.325 nan 8.290 nan 0.000 0.469 474 S N -0.452 115.283 115.700 0.059 0.000 2.595 474 S HA -0.113 4.357 4.470 0.001 0.000 0.235 474 S C 1.643 176.282 174.600 0.065 0.000 0.974 474 S CA 0.663 58.896 58.200 0.055 0.000 0.942 474 S CB -0.807 62.418 63.200 0.042 0.000 0.766 474 S HN 0.861 nan 8.310 nan 0.000 0.536 475 S N 3.283 119.036 115.700 0.089 0.000 2.419 475 S HA -0.253 4.218 4.470 0.001 0.000 0.233 475 S C 1.877 176.556 174.600 0.132 0.000 1.016 475 S CA 0.814 59.083 58.200 0.115 0.000 0.974 475 S CB -0.746 62.566 63.200 0.188 0.000 0.786 475 S HN 0.826 nan 8.310 nan 0.000 0.492 476 R N 2.393 122.972 120.500 0.131 0.000 2.316 476 R HA -0.113 4.227 4.340 0.001 0.000 0.257 476 R C 1.154 177.507 176.300 0.089 0.000 1.198 476 R CA 1.249 57.423 56.100 0.124 0.000 1.026 476 R CB -1.267 29.091 30.300 0.098 0.000 0.872 476 R HN 0.416 nan 8.270 nan 0.000 0.482 477 A N 1.779 124.636 122.820 0.062 0.000 3.051 477 A HA 0.356 4.676 4.320 0.001 0.000 0.275 477 A C 1.111 178.705 177.584 0.016 0.000 1.900 477 A CA 0.244 52.301 52.037 0.033 0.000 1.496 477 A CB -1.096 17.915 19.000 0.020 0.000 1.013 477 A HN 0.607 nan 8.150 nan 0.000 0.611 478 G N 1.090 109.907 108.800 0.028 0.000 2.424 478 G HA2 -0.167 3.793 3.960 0.001 0.000 0.290 478 G HA3 -0.167 3.793 3.960 0.001 0.000 0.290 478 G C 0.257 175.128 174.900 -0.047 0.000 0.912 478 G CA 0.414 45.518 45.100 0.006 0.000 1.142 478 G HN 0.945 nan 8.290 nan 0.000 0.501 479 V N 0.622 120.479 119.914 -0.094 0.000 2.740 479 V HA 0.446 4.566 4.120 0.001 0.000 0.303 479 V C 1.244 177.185 176.094 -0.255 0.000 1.054 479 V CA 0.807 62.949 62.300 -0.263 0.000 1.106 479 V CB 1.140 32.650 31.823 -0.522 0.000 0.957 479 V HN 2.297 nan 8.190 nan 0.000 0.486 480 S N 4.094 119.643 115.700 -0.252 0.000 3.209 480 S HA -0.147 4.324 4.470 0.001 0.000 0.787 480 S C -0.679 173.914 174.600 -0.012 0.000 0.904 480 S CA 0.926 59.055 58.200 -0.117 0.000 1.341 480 S CB -0.788 62.325 63.200 -0.146 0.000 1.100 480 S HN 1.219 nan 8.310 nan 0.000 0.534 481 Q N 2.848 122.678 119.800 0.050 0.000 2.421 481 Q HA 0.774 5.114 4.340 0.001 0.000 0.280 481 Q C -0.386 175.644 176.000 0.050 0.000 1.085 481 Q CA -1.348 54.493 55.803 0.063 0.000 0.807 481 Q CB 1.687 30.482 28.738 0.094 0.000 1.405 481 Q HN 0.537 nan 8.270 nan 0.000 0.419 482 V N 2.722 122.638 119.914 0.002 0.000 2.720 482 V HA -0.144 3.976 4.120 0.001 0.000 0.307 482 V C 1.517 177.517 176.094 -0.157 0.000 1.071 482 V CA 0.132 62.406 62.300 -0.043 0.000 1.199 482 V CB 0.185 31.980 31.823 -0.046 0.000 0.900 482 V HN 0.824 nan 8.190 nan 0.000 0.494 483 L N 4.938 126.048 121.223 -0.187 0.000 1.997 483 L HA -0.137 4.204 4.340 0.001 0.000 0.216 483 L C 1.149 177.713 176.870 -0.509 0.000 1.074 483 L CA 2.218 56.837 54.840 -0.369 0.000 0.763 483 L CB -1.309 40.537 42.059 -0.355 0.000 0.890 483 L HN 1.261 nan 8.230 nan 0.000 0.434 484 N N -1.951 116.570 118.700 -0.299 0.000 2.709 484 N HA -0.195 4.546 4.740 0.001 0.000 0.271 484 N C -0.300 175.107 175.510 -0.171 0.000 1.552 484 N CA 0.583 53.494 53.050 -0.231 0.000 1.241 484 N CB -0.758 37.593 38.487 -0.227 0.000 0.840 484 N HN 0.366 nan 8.380 nan 0.000 0.480 485 R N 3.161 123.572 120.500 -0.147 0.000 3.135 485 R HA 0.248 4.589 4.340 0.001 0.000 0.343 485 R C 0.302 176.480 176.300 -0.203 0.000 1.227 485 R CA -0.511 55.526 56.100 -0.105 0.000 1.227 485 R CB -0.265 29.997 30.300 -0.063 0.000 1.436 485 R HN 0.609 nan 8.270 nan 0.000 0.595 486 Y N -0.566 119.598 120.300 -0.227 0.000 2.138 486 Y HA 0.203 4.753 4.550 0.000 0.000 0.286 486 Y C 0.221 176.047 175.900 -0.124 0.000 1.115 486 Y CA 0.938 58.900 58.100 -0.231 0.000 1.105 486 Y CB 0.602 38.975 38.460 -0.146 0.000 1.004 486 Y HN -0.041 nan 8.280 nan 0.000 0.494 487 T N -0.562 113.990 114.554 -0.003 0.000 2.916 487 T HA 0.145 4.495 4.350 0.001 0.000 0.305 487 T C -0.165 174.630 174.700 0.158 0.000 1.119 487 T CA -0.487 61.624 62.100 0.019 0.000 1.008 487 T CB 1.554 70.316 68.868 -0.177 0.000 1.129 487 T HN 0.148 nan 8.240 nan 0.000 0.480 488 Y N 2.191 122.552 120.300 0.102 0.000 2.151 488 Y HA -0.150 4.401 4.550 0.000 0.000 0.284 488 Y C 2.608 178.555 175.900 0.079 0.000 1.166 488 Y CA 2.126 60.286 58.100 0.100 0.000 1.163 488 Y CB -0.270 38.230 38.460 0.067 0.000 0.974 488 Y HN 0.598 nan 8.280 nan 0.000 0.511 489 S N -1.141 114.623 115.700 0.106 0.000 2.507 489 S HA -0.138 4.332 4.470 0.001 0.000 0.235 489 S C 2.266 176.820 174.600 -0.078 0.000 0.988 489 S CA 0.910 59.077 58.200 -0.056 0.000 0.944 489 S CB -0.684 62.490 63.200 -0.044 0.000 0.762 489 S HN 0.657 nan 8.310 nan 0.000 0.526 490 S N 0.800 116.481 115.700 -0.030 0.000 2.338 490 S HA -0.118 4.352 4.470 0.001 0.000 0.218 490 S C 1.968 176.549 174.600 -0.031 0.000 1.032 490 S CA 2.123 60.317 58.200 -0.011 0.000 0.999 490 S CB -1.122 62.096 63.200 0.030 0.000 0.905 490 S HN 0.594 nan 8.310 nan 0.000 0.439 491 T N 3.358 117.872 114.554 -0.066 0.000 2.597 491 T HA -0.122 4.229 4.350 0.001 0.000 0.267 491 T C 1.798 176.414 174.700 -0.141 0.000 1.053 491 T CA 1.782 63.816 62.100 -0.111 0.000 1.165 491 T CB -0.910 67.900 68.868 -0.097 0.000 0.863 491 T HN 0.338 nan 8.240 nan 0.000 0.427 492 L N 0.853 121.907 121.223 -0.282 0.000 2.064 492 L HA -0.242 4.099 4.340 0.001 0.000 0.216 492 L C 2.825 179.638 176.870 -0.095 0.000 1.077 492 L CA 1.777 56.483 54.840 -0.223 0.000 0.766 492 L CB -0.490 41.387 42.059 -0.303 0.000 0.890 492 L HN 0.359 nan 8.230 nan 0.000 0.435 493 S N -1.778 113.880 115.700 -0.069 0.000 2.414 493 S HA -0.231 4.240 4.470 0.001 0.000 0.227 493 S C 1.900 176.500 174.600 0.001 0.000 1.022 493 S CA 1.028 59.206 58.200 -0.037 0.000 0.958 493 S CB -0.251 62.925 63.200 -0.040 0.000 0.797 493 S HN 0.641 nan 8.310 nan 0.000 0.493 494 H N -0.126 118.902 119.070 -0.070 0.000 2.529 494 H HA 0.315 4.872 4.556 0.001 0.000 0.277 494 H C 1.547 176.847 175.328 -0.048 0.000 0.999 494 H CA 0.836 56.850 56.048 -0.057 0.000 1.256 494 H CB -0.004 29.724 29.762 -0.058 0.000 1.402 494 H HN 0.335 nan 8.280 nan 0.000 0.566 495 L N 0.167 121.455 121.223 0.108 0.000 2.599 495 L HA 0.101 4.442 4.340 0.001 0.000 0.230 495 L C 0.768 177.650 176.870 0.020 0.000 1.141 495 L CA 0.585 55.468 54.840 0.071 0.000 0.877 495 L CB 0.199 42.285 42.059 0.045 0.000 1.009 495 L HN 0.227 nan 8.230 nan 0.000 0.447 496 R N -0.849 119.642 120.500 -0.014 0.000 2.668 496 R HA 0.234 4.574 4.340 0.001 0.000 0.435 496 R C 0.187 176.448 176.300 -0.065 0.000 1.059 496 R CA -0.294 55.786 56.100 -0.034 0.000 1.073 496 R CB 0.745 31.027 30.300 -0.030 0.000 1.401 496 R HN 0.089 nan 8.270 nan 0.000 0.590 497 R N 0.323 120.766 120.500 -0.094 0.000 2.541 497 R HA 0.392 4.732 4.340 0.001 0.000 0.263 497 R C -0.432 175.808 176.300 -0.101 0.000 1.112 497 R CA 0.312 56.331 56.100 -0.135 0.000 1.170 497 R CB 1.131 31.282 30.300 -0.249 0.000 1.167 497 R HN -0.128 nan 8.270 nan 0.000 0.582 498 T N 0.484 114.977 114.554 -0.101 0.000 2.889 498 T HA 0.358 4.708 4.350 0.001 0.000 0.315 498 T C -1.668 172.991 174.700 -0.068 0.000 1.291 498 T CA -0.729 61.330 62.100 -0.067 0.000 1.028 498 T CB 1.488 70.330 68.868 -0.042 0.000 1.235 498 T HN 0.527 nan 8.240 nan 0.000 0.491 499 N N 0.437 119.108 118.700 -0.047 0.000 2.264 499 N HA 0.693 5.433 4.740 0.001 0.000 0.288 499 N C -1.780 173.721 175.510 -0.015 0.000 1.094 499 N CA -0.413 52.611 53.050 -0.043 0.000 0.817 499 N CB 2.104 40.554 38.487 -0.062 0.000 1.604 499 N HN 0.632 nan 8.380 nan 0.000 0.473 500 T N 1.522 116.073 114.554 -0.005 0.000 3.031 500 T HA 0.483 4.833 4.350 0.001 0.000 0.305 500 T C -2.512 172.194 174.700 0.010 0.000 0.985 500 T CA -0.939 61.169 62.100 0.013 0.000 1.008 500 T CB 1.840 70.731 68.868 0.038 0.000 1.005 500 T HN 0.336 nan 8.240 nan 0.000 0.444 501 P HA 0.501 nan 4.420 nan 0.000 0.288 501 P C 0.641 177.949 177.300 0.013 0.000 1.291 501 P CA -0.490 62.616 63.100 0.011 0.000 0.766 501 P CB 0.424 32.134 31.700 0.017 0.000 1.242 510 K N 1.226 121.638 120.400 0.019 0.000 2.954 510 K HA 0.420 4.740 4.320 0.001 0.000 0.171 510 K C -2.501 174.127 176.600 0.046 0.000 1.079 510 K CA -1.202 55.097 56.287 0.020 0.000 0.908 510 K CB 1.658 34.160 32.500 0.004 0.000 1.142 510 K HN 0.343 nan 8.250 nan 0.000 0.613 511 P HA 0.036 nan 4.420 nan 0.000 0.245 511 P C 0.416 177.764 177.300 0.081 0.000 1.206 511 P CA 0.375 63.520 63.100 0.075 0.000 0.781 511 P CB 0.592 32.325 31.700 0.055 0.000 0.994 512 R N -1.165 119.369 120.500 0.056 0.000 2.167 512 R HA 0.144 4.484 4.340 0.001 0.000 0.201 512 R C 0.800 177.136 176.300 0.061 0.000 1.024 512 R CA 0.038 56.168 56.100 0.050 0.000 1.053 512 R CB -0.474 29.841 30.300 0.025 0.000 0.987 512 R HN 0.089 nan 8.270 nan 0.000 0.493 513 Q N 1.379 121.205 119.800 0.044 0.000 2.283 513 Q HA -0.021 4.320 4.340 0.001 0.000 0.301 513 Q C -0.780 175.254 176.000 0.056 0.000 1.063 513 Q CA 0.186 56.006 55.803 0.029 0.000 0.952 513 Q CB 0.449 29.182 28.738 -0.008 0.000 1.166 513 Q HN 0.022 nan 8.270 nan 0.000 0.381 514 L N 4.161 125.424 121.223 0.066 0.000 2.562 514 L HA 0.062 4.402 4.340 0.001 0.000 0.271 514 L C -0.741 176.115 176.870 -0.023 0.000 1.167 514 L CA 0.678 55.588 54.840 0.115 0.000 0.917 514 L CB -0.238 41.887 42.059 0.111 0.000 1.187 514 L HN 0.655 nan 8.230 nan 0.000 0.482 515 H N 4.584 123.414 119.070 -0.400 0.000 2.502 515 H HA 0.265 4.821 4.556 0.001 0.000 0.327 515 H C 1.218 176.327 175.328 -0.364 0.000 1.099 515 H CA -0.247 55.535 56.048 -0.444 0.000 1.323 515 H CB 0.753 30.159 29.762 -0.594 0.000 1.450 515 H HN 0.786 nan 8.280 nan 0.000 0.502 516 N N 1.905 120.587 118.700 -0.030 0.000 2.231 516 N HA -0.317 4.423 4.740 0.001 0.000 0.199 516 N C 1.643 177.222 175.510 0.115 0.000 0.965 516 N CA 2.604 55.683 53.050 0.049 0.000 0.919 516 N CB -0.394 38.081 38.487 -0.019 0.000 1.067 516 N HN 0.778 nan 8.380 nan 0.000 0.583 517 T N -1.709 112.924 114.554 0.132 0.000 2.995 517 T HA -0.069 4.281 4.350 0.001 0.000 0.269 517 T C 1.451 176.209 174.700 0.096 0.000 1.091 517 T CA 0.820 62.906 62.100 -0.023 0.000 1.128 517 T CB -0.356 68.322 68.868 -0.317 0.000 0.891 517 T HN 0.230 nan 8.240 nan 0.000 0.492 518 H N 0.072 119.121 119.070 -0.036 0.000 2.492 518 H HA -0.002 4.555 4.556 0.001 0.000 0.296 518 H C 0.895 176.217 175.328 -0.011 0.000 1.095 518 H CA 0.192 56.140 56.048 -0.167 0.000 1.281 518 H CB -0.816 28.818 29.762 -0.213 0.000 1.374 518 H HN 0.601 nan 8.280 nan 0.000 0.545 519 W N 2.330 123.657 121.300 0.046 0.000 2.812 519 W HA 0.151 4.812 4.660 0.001 0.000 0.366 519 W C 0.548 177.080 176.519 0.021 0.000 1.373 519 W CA 1.472 58.833 57.345 0.027 0.000 1.374 519 W CB -0.486 28.985 29.460 0.018 0.000 1.500 519 W HN 0.464 nan 8.180 nan 0.000 0.568 520 G N 3.890 112.442 108.800 -0.413 0.000 2.176 520 G HA2 -0.321 3.640 3.960 0.001 0.000 0.232 520 G HA3 -0.321 3.640 3.960 0.001 0.000 0.232 520 G C 0.469 175.265 174.900 -0.174 0.000 0.986 520 G CA 0.396 45.267 45.100 -0.383 0.000 0.643 520 G HN 0.571 nan 8.290 nan 0.000 0.522 521 L N -0.945 120.217 121.223 -0.103 0.000 2.694 521 L HA 0.464 4.804 4.340 0.001 0.000 0.228 521 L C 0.892 177.684 176.870 -0.131 0.000 1.048 521 L CA 0.195 55.003 54.840 -0.055 0.000 0.887 521 L CB 0.509 42.635 42.059 0.112 0.000 1.265 521 L HN 0.098 nan 8.230 nan 0.000 0.492 522 V N -0.856 118.921 119.914 -0.228 0.000 2.919 522 V HA 0.261 4.382 4.120 0.001 0.000 0.316 522 V C -0.435 175.547 176.094 -0.187 0.000 1.077 522 V CA -1.200 60.932 62.300 -0.279 0.000 0.977 522 V CB 2.667 34.160 31.823 -0.549 0.000 1.039 522 V HN 0.179 nan 8.190 nan 0.000 0.441 523 C N 5.303 124.511 119.300 -0.153 0.000 2.632 523 C HA 0.313 4.774 4.460 0.001 0.000 0.415 523 C C -0.315 174.633 174.990 -0.071 0.000 1.332 523 C CA -0.948 58.009 59.018 -0.101 0.000 1.874 523 C CB 0.454 28.145 27.740 -0.080 0.000 2.596 523 C HN 0.834 nan 8.230 nan 0.000 0.590 524 P HA -0.005 nan 4.420 nan 0.000 0.221 524 P C 0.810 178.127 177.300 0.029 0.000 1.150 524 P CA 1.917 65.034 63.100 0.028 0.000 0.800 524 P CB 0.155 31.896 31.700 0.068 0.000 0.787 525 A N -0.524 122.305 122.820 0.015 0.000 2.013 525 A HA 0.089 4.409 4.320 0.001 0.000 0.204 525 A C 1.223 178.810 177.584 0.005 0.000 1.262 525 A CA -0.041 52.013 52.037 0.027 0.000 0.800 525 A CB -0.634 18.393 19.000 0.046 0.000 0.909 525 A HN 0.116 nan 8.150 nan 0.000 0.472 526 E N 0.697 120.885 120.200 -0.021 0.000 2.351 526 E HA 0.396 4.747 4.350 0.001 0.000 0.266 526 E C -0.782 175.788 176.600 -0.048 0.000 1.031 526 E CA 0.479 56.857 56.400 -0.037 0.000 0.911 526 E CB 0.241 29.909 29.700 -0.053 0.000 0.986 526 E HN 0.205 nan 8.360 nan 0.000 0.446 527 T N 4.139 118.664 114.554 -0.048 0.000 3.121 527 T HA 0.196 4.547 4.350 0.001 0.000 0.377 527 T C -2.842 171.819 174.700 -0.065 0.000 1.820 527 T CA -1.073 60.993 62.100 -0.057 0.000 1.098 527 T CB 0.902 69.740 68.868 -0.049 0.000 1.681 527 T HN 0.303 nan 8.240 nan 0.000 0.492 528 P HA 0.461 nan 4.420 nan 0.000 0.284 528 P C -0.621 176.621 177.300 -0.097 0.000 1.253 528 P CA -0.458 62.595 63.100 -0.079 0.000 0.800 528 P CB 0.538 32.201 31.700 -0.062 0.000 0.961 529 E N 0.844 120.962 120.200 -0.136 0.000 2.384 529 E HA 0.264 4.615 4.350 0.001 0.000 0.266 529 E C 1.247 177.787 176.600 -0.099 0.000 1.012 529 E CA 0.908 57.212 56.400 -0.159 0.000 0.901 529 E CB 0.057 29.606 29.700 -0.252 0.000 0.967 529 E HN 0.722 nan 8.360 nan 0.000 0.435 530 G N 3.100 111.852 108.800 -0.079 0.000 2.677 530 G HA2 -0.512 3.448 3.960 0.001 0.000 0.321 530 G HA3 -0.512 3.448 3.960 0.001 0.000 0.321 530 G C 1.021 175.897 174.900 -0.040 0.000 1.181 530 G CA 0.744 45.813 45.100 -0.052 0.000 0.965 530 G HN 0.703 nan 8.290 nan 0.000 0.548 531 Q N -0.298 119.480 119.800 -0.037 0.000 2.094 531 Q HA -0.197 4.143 4.340 0.001 0.000 0.217 531 Q C 2.270 178.255 176.000 -0.026 0.000 1.046 531 Q CA 2.798 58.584 55.803 -0.028 0.000 0.911 531 Q CB -0.409 28.313 28.738 -0.027 0.000 1.038 531 Q HN 1.644 nan 8.270 nan 0.000 0.422 532 A N -0.274 122.527 122.820 -0.030 0.000 2.705 532 A HA 0.272 4.592 4.320 0.001 0.000 0.294 532 A C -0.237 177.328 177.584 -0.031 0.000 1.039 532 A CA -0.561 51.459 52.037 -0.027 0.000 1.005 532 A CB 0.164 19.147 19.000 -0.028 0.000 1.192 532 A HN 0.497 nan 8.150 nan 0.000 0.513 533 C N -0.233 119.047 119.300 -0.033 0.000 2.662 533 C HA 0.482 4.942 4.460 0.001 0.000 0.420 533 C C 2.012 176.989 174.990 -0.021 0.000 1.314 533 C CA 1.520 60.516 59.018 -0.036 0.000 1.963 533 C CB -0.706 27.009 27.740 -0.041 0.000 2.686 533 C HN 2.015 nan 8.230 nan 0.000 0.609 534 G N 3.959 112.747 108.800 -0.020 0.000 2.328 534 G HA2 -0.290 3.670 3.960 0.001 0.000 0.256 534 G HA3 -0.290 3.670 3.960 0.001 0.000 0.256 534 G C 0.643 175.542 174.900 -0.001 0.000 1.014 534 G CA 0.865 45.963 45.100 -0.003 0.000 0.620 534 G HN 0.820 nan 8.290 nan 0.000 0.530 535 L N 0.096 121.314 121.223 -0.008 0.000 2.084 535 L HA 0.230 4.570 4.340 0.001 0.000 0.202 535 L C 1.619 178.475 176.870 -0.023 0.000 1.074 535 L CA 0.529 55.367 54.840 -0.003 0.000 0.757 535 L CB -0.356 41.701 42.059 -0.004 0.000 0.918 535 L HN 0.144 nan 8.230 nan 0.000 0.444 536 V N 1.405 121.295 119.914 -0.041 0.000 2.508 536 V HA 0.075 4.195 4.120 0.001 0.000 0.281 536 V C -0.137 175.910 176.094 -0.078 0.000 1.041 536 V CA 0.200 62.463 62.300 -0.062 0.000 1.016 536 V CB 0.900 32.681 31.823 -0.070 0.000 0.984 536 V HN 0.229 nan 8.190 nan 0.000 0.478 537 K N 3.977 124.321 120.400 -0.093 0.000 2.435 537 K HA 0.551 4.871 4.320 0.001 0.000 0.251 537 K C -0.897 175.634 176.600 -0.115 0.000 0.954 537 K CA -0.778 55.435 56.287 -0.123 0.000 0.820 537 K CB 1.888 34.277 32.500 -0.184 0.000 1.292 537 K HN 0.588 nan 8.250 nan 0.000 0.436 538 N N 2.149 120.777 118.700 -0.119 0.000 2.314 538 N HA 0.345 5.085 4.740 0.001 0.000 0.294 538 N C -0.798 174.649 175.510 -0.106 0.000 1.029 538 N CA -0.594 52.395 53.050 -0.101 0.000 0.845 538 N CB 1.568 40.002 38.487 -0.088 0.000 1.321 538 N HN 0.300 nan 8.380 nan 0.000 0.481 539 L N 1.076 122.247 121.223 -0.088 0.000 2.452 539 L HA 0.227 4.567 4.340 0.001 0.000 0.267 539 L C 1.229 178.046 176.870 -0.087 0.000 1.188 539 L CA -0.291 54.495 54.840 -0.090 0.000 0.821 539 L CB 0.169 42.186 42.059 -0.071 0.000 1.102 539 L HN 0.395 nan 8.230 nan 0.000 0.470 540 S N 1.090 116.726 115.700 -0.107 0.000 2.612 540 S HA 0.097 4.568 4.470 0.001 0.000 0.253 540 S C 1.437 175.994 174.600 -0.071 0.000 1.346 540 S CA -0.626 57.509 58.200 -0.108 0.000 0.976 540 S CB 0.568 63.673 63.200 -0.158 0.000 0.949 540 S HN 0.481 nan 8.310 nan 0.000 0.584 541 L N 0.186 121.382 121.223 -0.045 0.000 1.989 541 L HA -0.128 4.212 4.340 0.001 0.000 0.211 541 L C 2.099 178.928 176.870 -0.068 0.000 1.071 541 L CA 1.525 56.407 54.840 0.070 0.000 0.749 541 L CB -0.339 41.812 42.059 0.152 0.000 0.890 541 L HN 0.635 nan 8.230 nan 0.000 0.431 542 M N -0.999 118.429 119.600 -0.286 0.000 2.371 542 M HA 0.088 4.568 4.480 0.001 0.000 0.246 542 M C 0.961 177.041 176.300 -0.368 0.000 1.103 542 M CA -0.116 54.840 55.300 -0.574 0.000 1.010 542 M CB 0.195 32.262 32.600 -0.889 0.000 1.457 542 M HN 0.208 nan 8.290 nan 0.000 0.486 543 S N 1.284 116.825 115.700 -0.264 0.000 2.572 543 S HA 0.334 4.804 4.470 0.001 0.000 0.279 543 S C 0.082 174.491 174.600 -0.319 0.000 1.341 543 S CA -0.547 57.489 58.200 -0.274 0.000 1.043 543 S CB 0.741 63.836 63.200 -0.176 0.000 0.887 543 S HN 0.527 nan 8.310 nan 0.000 0.516 544 C N 1.180 120.157 119.300 -0.537 0.000 3.254 544 C HA 0.775 5.235 4.460 0.001 0.000 0.374 544 C C -1.450 173.146 174.990 -0.656 0.000 1.710 544 C CA -1.083 57.647 59.018 -0.479 0.000 1.149 544 C CB -0.472 27.030 27.740 -0.397 0.000 2.019 544 C HN 0.760 nan 8.230 nan 0.000 0.427 545 I N 2.047 122.421 120.570 -0.327 0.000 2.509 545 I HA 0.515 4.685 4.170 0.001 0.000 0.293 545 I C 0.705 176.993 176.117 0.285 0.000 1.020 545 I CA 0.075 61.361 61.300 -0.024 0.000 1.088 545 I CB 1.996 39.991 38.000 -0.008 0.000 1.267 545 I HN 0.892 nan 8.210 nan 0.000 0.430 546 S N 5.224 121.189 115.700 0.442 0.000 2.575 546 S HA 0.083 4.553 4.470 0.001 0.000 0.295 546 S C 1.046 175.721 174.600 0.126 0.000 1.267 546 S CA -0.516 57.831 58.200 0.245 0.000 1.074 546 S CB 0.508 63.758 63.200 0.084 0.000 0.829 546 S HN 0.444 nan 8.310 nan 0.000 0.497 547 V N 3.022 122.995 119.914 0.098 0.000 2.446 547 V HA 0.393 4.514 4.120 0.001 0.000 0.244 547 V C 1.519 177.623 176.094 0.015 0.000 1.039 547 V CA 0.454 62.788 62.300 0.058 0.000 1.045 547 V CB -2.070 29.781 31.823 0.046 0.000 0.681 547 V HN 1.634 nan 8.190 nan 0.000 0.459 548 G N 1.126 109.921 108.800 -0.008 0.000 3.224 548 G HA2 -0.021 3.939 3.960 0.001 0.000 0.684 548 G HA3 -0.021 3.939 3.960 0.001 0.000 0.684 548 G C -0.391 174.466 174.900 -0.073 0.000 1.180 548 G CA -0.333 44.752 45.100 -0.026 0.000 1.099 548 G HN 0.414 nan 8.290 nan 0.000 0.476 549 T N 0.669 115.181 114.554 -0.070 0.000 2.833 549 T HA 0.624 4.975 4.350 0.001 0.000 0.292 549 T C -0.017 174.636 174.700 -0.077 0.000 1.031 549 T CA -0.161 61.879 62.100 -0.099 0.000 0.937 549 T CB 1.231 70.048 68.868 -0.085 0.000 1.256 549 T HN 0.607 nan 8.240 nan 0.000 0.551 550 D N 1.079 121.433 120.400 -0.076 0.000 2.280 550 D HA 0.319 4.960 4.640 0.001 0.000 0.236 550 D C -1.304 174.972 176.300 -0.041 0.000 1.082 550 D CA -2.560 51.410 54.000 -0.050 0.000 0.834 550 D CB 1.353 42.126 40.800 -0.045 0.000 1.100 550 D HN 0.054 nan 8.370 nan 0.000 0.486 551 P HA -0.161 nan 4.420 nan 0.000 0.218 551 P C 1.822 179.092 177.300 -0.049 0.000 1.149 551 P CA 0.746 63.824 63.100 -0.037 0.000 0.817 551 P CB 0.222 31.911 31.700 -0.019 0.000 0.785 552 M N -0.534 119.043 119.600 -0.037 0.000 2.108 552 M HA -0.137 4.343 4.480 0.001 0.000 0.257 552 M C -0.540 175.745 176.300 -0.026 0.000 1.071 552 M CA 2.502 57.781 55.300 -0.035 0.000 1.093 552 M CB -2.491 30.098 32.600 -0.018 0.000 1.345 552 M HN 0.037 nan 8.290 nan 0.000 0.403 553 P HA -0.003 nan 4.420 nan 0.000 0.229 553 P C 1.489 178.805 177.300 0.026 0.000 1.160 553 P CA 0.809 63.916 63.100 0.012 0.000 0.777 553 P CB -0.124 31.580 31.700 0.007 0.000 0.814 554 I N -0.380 120.178 120.570 -0.020 0.000 2.277 554 I HA -0.131 4.039 4.170 0.001 0.000 0.243 554 I C 2.230 178.344 176.117 -0.004 0.000 1.094 554 I CA 1.203 62.483 61.300 -0.034 0.000 1.393 554 I CB -1.036 36.914 38.000 -0.082 0.000 1.078 554 I HN -0.077 nan 8.210 nan 0.000 0.417 555 I N 0.669 121.185 120.570 -0.090 0.000 2.208 555 I HA -0.275 3.895 4.170 0.001 0.000 0.245 555 I C 2.551 178.629 176.117 -0.064 0.000 1.097 555 I CA 1.547 62.736 61.300 -0.185 0.000 1.363 555 I CB -1.959 35.835 38.000 -0.343 0.000 1.051 555 I HN 0.205 nan 8.210 nan 0.000 0.413 556 T N 1.370 115.919 114.554 -0.007 0.000 2.684 556 T HA -0.228 4.123 4.350 0.001 0.000 0.267 556 T C 1.746 176.495 174.700 0.082 0.000 1.036 556 T CA 1.741 63.856 62.100 0.024 0.000 1.148 556 T CB -0.534 68.354 68.868 0.033 0.000 0.863 556 T HN 0.367 nan 8.240 nan 0.000 0.436 557 F N 1.353 121.307 119.950 0.006 0.000 2.134 557 F HA -0.076 4.452 4.527 0.001 0.000 0.299 557 F C 1.861 177.739 175.800 0.130 0.000 1.097 557 F CA 1.125 59.179 58.000 0.091 0.000 1.264 557 F CB -0.331 38.720 39.000 0.085 0.000 1.001 557 F HN 0.068 nan 8.300 nan 0.000 0.479 558 L N 0.294 121.722 121.223 0.343 0.000 1.956 558 L HA -0.278 4.063 4.340 0.001 0.000 0.216 558 L C 2.269 179.171 176.870 0.053 0.000 1.073 558 L CA 1.733 56.699 54.840 0.210 0.000 0.762 558 L CB -1.290 40.825 42.059 0.094 0.000 0.889 558 L HN 0.245 nan 8.230 nan 0.000 0.433 559 S N -0.909 114.792 115.700 0.001 0.000 3.188 559 S HA 0.002 4.472 4.470 0.001 0.000 0.257 559 S C 0.786 175.327 174.600 -0.098 0.000 1.163 559 S CA 0.326 58.504 58.200 -0.036 0.000 1.259 559 S CB -0.383 62.793 63.200 -0.039 0.000 0.995 559 S HN 0.480 nan 8.310 nan 0.000 0.474 560 E N -0.839 119.264 120.200 -0.161 0.000 2.555 560 E HA 0.115 4.466 4.350 0.001 0.000 0.209 560 E C -0.726 175.551 176.600 -0.538 0.000 0.847 560 E CA -0.106 56.078 56.400 -0.359 0.000 1.438 560 E CB 0.318 29.740 29.700 -0.463 0.000 1.420 560 E HN 0.727 nan 8.360 nan 0.000 0.755 561 W N 2.438 123.561 121.300 -0.296 0.000 1.789 561 W HA 0.460 5.121 4.660 0.001 0.000 0.333 561 W C 0.884 177.385 176.519 -0.030 0.000 0.724 561 W CA 0.383 57.614 57.345 -0.191 0.000 2.024 561 W CB 0.596 29.909 29.460 -0.245 0.000 2.064 561 W HN 0.225 nan 8.180 nan 0.000 0.390 562 G N 1.098 109.967 108.800 0.116 0.000 2.553 562 G HA2 -0.268 3.692 3.960 0.001 0.000 0.242 562 G HA3 -0.268 3.692 3.960 0.001 0.000 0.242 562 G C 0.162 175.165 174.900 0.171 0.000 1.277 562 G CA -0.135 45.084 45.100 0.199 0.000 0.910 562 G HN 0.612 nan 8.290 nan 0.000 0.576 563 M N -0.684 119.090 119.600 0.291 0.000 3.929 563 M HA -0.106 4.374 4.480 0.001 0.000 0.159 563 M C -0.166 176.161 176.300 0.046 0.000 1.508 563 M CA 0.767 56.168 55.300 0.168 0.000 1.059 563 M CB -0.918 31.736 32.600 0.090 0.000 1.337 563 M HN 0.904 nan 8.290 nan 0.000 0.317 564 E N 5.589 125.797 120.200 0.013 0.000 2.558 564 E HA 0.151 4.501 4.350 0.001 0.000 0.255 564 E C -1.992 174.550 176.600 -0.097 0.000 0.968 564 E CA -0.238 56.134 56.400 -0.047 0.000 0.939 564 E CB 0.463 30.130 29.700 -0.056 0.000 0.921 564 E HN 0.289 nan 8.360 nan 0.000 0.477 565 P HA -0.090 nan 4.420 nan 0.000 0.272 565 P C 0.524 177.674 177.300 -0.250 0.000 1.223 565 P CA -0.271 62.750 63.100 -0.132 0.000 0.784 565 P CB 0.834 32.477 31.700 -0.095 0.000 0.923 566 L N 2.814 123.829 121.223 -0.346 0.000 2.013 566 L HA -0.198 4.143 4.340 0.001 0.000 0.212 566 L C 1.865 178.338 176.870 -0.662 0.000 1.073 566 L CA 2.045 56.505 54.840 -0.633 0.000 0.753 566 L CB -1.331 40.305 42.059 -0.705 0.000 0.890 566 L HN 0.450 nan 8.230 nan 0.000 0.432 567 E N -1.491 118.460 120.200 -0.415 0.000 2.461 567 E HA -0.151 4.199 4.350 0.001 0.000 0.196 567 E C 0.297 176.759 176.600 -0.230 0.000 1.129 567 E CA 0.755 56.967 56.400 -0.313 0.000 0.902 567 E CB -0.404 29.178 29.700 -0.196 0.000 0.963 567 E HN 0.559 nan 8.360 nan 0.000 0.503 568 D N -0.648 119.600 120.400 -0.253 0.000 2.474 568 D HA 0.030 4.670 4.640 0.001 0.000 0.213 568 D C -0.634 175.608 176.300 -0.097 0.000 1.120 568 D CA -0.282 53.636 54.000 -0.137 0.000 0.836 568 D CB 0.089 40.825 40.800 -0.108 0.000 1.019 568 D HN 0.152 nan 8.370 nan 0.000 0.507 569 Y N 1.515 121.573 120.300 -0.403 0.000 2.425 569 Y HA 0.372 4.922 4.550 0.001 0.000 0.331 569 Y C -0.587 175.254 175.900 -0.098 0.000 1.157 569 Y CA -0.672 57.220 58.100 -0.346 0.000 1.372 569 Y CB 0.596 38.665 38.460 -0.652 0.000 1.253 569 Y HN -0.324 nan 8.280 nan 0.000 0.536 570 V N 9.754 129.473 119.914 -0.324 0.000 2.357 570 V HA 0.221 4.341 4.120 0.001 0.000 0.281 570 V C -2.038 173.789 176.094 -0.444 0.000 1.015 570 V CA -1.391 60.761 62.300 -0.247 0.000 0.827 570 V CB 1.409 33.230 31.823 -0.002 0.000 1.018 570 V HN 0.684 nan 8.190 nan 0.000 0.432 571 P HA -0.154 nan 4.420 nan 0.000 0.216 571 P C 1.674 178.940 177.300 -0.056 0.000 1.153 571 P CA 1.264 64.094 63.100 -0.450 0.000 0.848 571 P CB -0.006 31.548 31.700 -0.243 0.000 0.787 572 H N 1.355 120.393 119.070 -0.054 0.000 2.426 572 H HA -0.160 4.396 4.556 0.001 0.000 0.298 572 H C 1.329 176.675 175.328 0.030 0.000 1.107 572 H CA 1.807 57.866 56.048 0.017 0.000 1.298 572 H CB -0.492 29.279 29.762 0.015 0.000 1.377 572 H HN 0.302 nan 8.280 nan 0.000 0.519 573 Q N 0.985 120.420 119.800 -0.607 0.000 2.282 573 Q HA 0.131 4.471 4.340 0.001 0.000 0.206 573 Q C 0.083 175.976 176.000 -0.178 0.000 0.878 573 Q CA 0.355 55.819 55.803 -0.566 0.000 0.944 573 Q CB 0.589 28.948 28.738 -0.631 0.000 1.100 573 Q HN 0.387 nan 8.270 nan 0.000 0.509 574 S N 0.181 115.851 115.700 -0.049 0.000 2.486 574 S HA 0.308 4.778 4.470 0.001 0.000 0.144 574 S C -2.501 172.187 174.600 0.147 0.000 1.542 574 S CA -0.911 57.324 58.200 0.058 0.000 1.262 574 S CB 1.125 64.386 63.200 0.101 0.000 1.462 574 S HN 0.069 nan 8.310 nan 0.000 0.381 575 P HA 0.266 nan 4.420 nan 0.000 0.255 575 P C -0.301 177.109 177.300 0.183 0.000 1.301 575 P CA 0.347 63.558 63.100 0.185 0.000 0.817 575 P CB 0.170 31.959 31.700 0.148 0.000 1.259 576 D N -0.434 120.053 120.400 0.146 0.000 2.454 576 D HA 0.117 4.757 4.640 0.001 0.000 0.219 576 D C 0.889 177.259 176.300 0.117 0.000 1.081 576 D CA 0.021 54.092 54.000 0.118 0.000 0.867 576 D CB -0.138 40.708 40.800 0.076 0.000 1.054 576 D HN 0.019 nan 8.370 nan 0.000 0.500 577 A N 1.260 124.153 122.820 0.121 0.000 2.600 577 A HA 0.057 4.377 4.320 0.001 0.000 0.244 577 A C 0.499 178.156 177.584 0.122 0.000 1.016 577 A CA 0.677 52.770 52.037 0.093 0.000 0.778 577 A CB -0.210 18.837 19.000 0.078 0.000 0.920 577 A HN -0.006 nan 8.150 nan 0.000 0.513 578 T N 4.793 119.419 114.554 0.120 0.000 2.729 578 T HA 0.346 4.696 4.350 0.001 0.000 0.296 578 T C 0.707 175.509 174.700 0.170 0.000 0.928 578 T CA -0.264 61.925 62.100 0.148 0.000 1.045 578 T CB 0.100 69.056 68.868 0.148 0.000 0.902 578 T HN 0.718 nan 8.240 nan 0.000 0.500 579 R N 1.903 122.519 120.500 0.193 0.000 2.679 579 R HA 0.510 4.850 4.340 0.001 0.000 0.269 579 R C -0.848 175.596 176.300 0.241 0.000 1.076 579 R CA -0.705 55.542 56.100 0.245 0.000 1.160 579 R CB 0.274 30.657 30.300 0.138 0.000 1.054 579 R HN 0.282 nan 8.270 nan 0.000 0.507 580 V N 2.775 122.853 119.914 0.274 0.000 2.443 580 V HA 0.351 4.472 4.120 0.001 0.000 0.293 580 V C -0.994 175.249 176.094 0.249 0.000 1.021 580 V CA -0.702 61.751 62.300 0.256 0.000 0.848 580 V CB 0.821 32.754 31.823 0.183 0.000 0.998 580 V HN 0.497 nan 8.190 nan 0.000 0.424 581 F N 3.402 123.302 119.950 -0.085 0.000 2.458 581 F HA 0.806 5.333 4.527 0.001 0.000 0.330 581 F C 0.095 175.828 175.800 -0.112 0.000 1.082 581 F CA -1.210 56.719 58.000 -0.120 0.000 0.995 581 F CB 2.102 40.959 39.000 -0.238 0.000 1.170 581 F HN 0.178 nan 8.300 nan 0.000 0.478 582 V N 2.267 122.251 119.914 0.116 0.000 2.623 582 V HA 0.294 4.415 4.120 0.001 0.000 0.304 582 V C -0.298 175.754 176.094 -0.070 0.000 1.054 582 V CA -1.348 60.947 62.300 -0.010 0.000 0.882 582 V CB 1.563 33.435 31.823 0.082 0.000 1.002 582 V HN 0.781 nan 8.190 nan 0.000 0.424 583 N N 2.987 121.532 118.700 -0.259 0.000 2.650 583 N HA -0.217 4.524 4.740 0.001 0.000 0.249 583 N C 0.977 176.470 175.510 -0.028 0.000 1.155 583 N CA 2.099 55.070 53.050 -0.132 0.000 0.747 583 N CB -0.975 37.522 38.487 0.016 0.000 1.132 583 N HN 1.782 nan 8.380 nan 0.000 0.564 584 G N -2.656 106.121 108.800 -0.038 0.000 2.207 584 G HA2 -0.108 3.852 3.960 0.001 0.000 0.216 584 G HA3 -0.108 3.852 3.960 0.001 0.000 0.216 584 G C -0.467 174.481 174.900 0.080 0.000 1.053 584 G CA 0.005 45.192 45.100 0.145 0.000 0.764 584 G HN 0.533 nan 8.290 nan 0.000 0.495 585 V N 0.050 119.900 119.914 -0.106 0.000 2.760 585 V HA 0.707 4.828 4.120 0.001 0.000 0.309 585 V C -0.704 175.064 176.094 -0.544 0.000 1.077 585 V CA -1.150 60.887 62.300 -0.437 0.000 0.910 585 V CB 2.149 33.742 31.823 -0.383 0.000 1.008 585 V HN 0.364 nan 8.190 nan 0.000 0.424 586 W N 4.629 125.368 121.300 -0.936 0.000 2.311 586 W HA 0.480 5.140 4.660 0.001 0.000 0.317 586 W C 0.698 176.833 176.519 -0.641 0.000 1.065 586 W CA -0.607 56.213 57.345 -0.875 0.000 1.364 586 W CB 0.446 29.425 29.460 -0.802 0.000 1.233 586 W HN 0.695 nan 8.180 nan 0.000 0.409 587 H N 3.765 122.832 119.070 -0.006 0.000 2.529 587 H HA 0.277 4.834 4.556 0.001 0.000 0.277 587 H C 1.240 176.472 175.328 -0.159 0.000 1.004 587 H CA 1.070 57.062 56.048 -0.093 0.000 1.167 587 H CB 0.385 30.119 29.762 -0.047 0.000 1.445 587 H HN 0.602 nan 8.280 nan 0.000 0.554 588 G N 0.325 109.017 108.800 -0.181 0.000 2.306 588 G HA2 -0.054 3.907 3.960 0.001 0.000 0.262 588 G HA3 -0.054 3.907 3.960 0.001 0.000 0.262 588 G C -0.751 174.104 174.900 -0.075 0.000 1.263 588 G CA -0.321 44.566 45.100 -0.356 0.000 1.088 588 G HN 0.343 nan 8.290 nan 0.000 0.489 589 V N -3.149 116.670 119.914 -0.158 0.000 3.164 589 V HA 0.994 5.115 4.120 0.001 0.000 0.313 589 V C -0.441 175.700 176.094 0.078 0.000 1.188 589 V CA -0.176 62.092 62.300 -0.053 0.000 1.058 589 V CB 1.881 33.489 31.823 -0.358 0.000 1.110 589 V HN 2.151 nan 8.190 nan 0.000 0.453 590 H N 0.494 119.564 119.070 -0.000 0.000 3.099 590 H HA 0.607 5.164 4.556 0.001 0.000 0.342 590 H C -0.654 174.700 175.328 0.044 0.000 1.054 590 H CA -0.435 55.630 56.048 0.028 0.000 1.328 590 H CB 1.520 31.315 29.762 0.056 0.000 1.876 590 H HN 1.073 nan 8.280 nan 0.000 0.495 591 R N 3.541 123.800 120.500 -0.402 0.000 2.486 591 R HA 0.420 4.760 4.340 0.001 0.000 0.286 591 R C -0.610 175.432 176.300 -0.430 0.000 0.999 591 R CA -0.623 55.312 56.100 -0.274 0.000 0.993 591 R CB 0.701 30.927 30.300 -0.124 0.000 1.084 591 R HN 0.815 nan 8.270 nan 0.000 0.487 592 N N 1.849 120.462 118.700 -0.144 0.000 2.610 592 N HA -0.082 4.658 4.740 0.001 0.000 0.271 592 N C -1.996 173.606 175.510 0.154 0.000 1.146 592 N CA 0.446 53.483 53.050 -0.021 0.000 0.711 592 N CB -0.092 38.389 38.487 -0.009 0.000 0.883 592 N HN 0.686 nan 8.380 nan 0.000 0.548 593 P HA 0.018 nan 4.420 nan 0.000 0.237 593 P C 1.170 178.574 177.300 0.173 0.000 1.178 593 P CA 1.038 64.336 63.100 0.330 0.000 0.766 593 P CB 0.018 31.851 31.700 0.222 0.000 0.876 594 A N 1.611 124.510 122.820 0.132 0.000 1.873 594 A HA -0.223 4.097 4.320 0.001 0.000 0.218 594 A C 2.428 180.055 177.584 0.071 0.000 1.193 594 A CA 1.606 53.693 52.037 0.083 0.000 0.629 594 A CB -1.075 17.966 19.000 0.068 0.000 0.826 594 A HN 0.116 nan 8.150 nan 0.000 0.447 595 R N -1.317 119.242 120.500 0.099 0.000 2.062 595 R HA -0.038 4.302 4.340 0.001 0.000 0.229 595 R C 2.157 178.472 176.300 0.024 0.000 1.128 595 R CA 1.164 57.303 56.100 0.065 0.000 0.960 595 R CB -0.745 29.614 30.300 0.098 0.000 0.855 595 R HN 0.478 nan 8.270 nan 0.000 0.432 596 L N 1.162 122.424 121.223 0.065 0.000 2.064 596 L HA -0.243 4.097 4.340 0.001 0.000 0.216 596 L C 2.210 179.044 176.870 -0.061 0.000 1.077 596 L CA 1.894 56.704 54.840 -0.050 0.000 0.766 596 L CB -0.516 41.396 42.059 -0.245 0.000 0.890 596 L HN 0.141 nan 8.230 nan 0.000 0.435 597 M N -0.121 119.465 119.600 -0.023 0.000 2.064 597 M HA -0.165 4.315 4.480 0.001 0.000 0.260 597 M C 2.301 178.569 176.300 -0.053 0.000 1.073 597 M CA 2.169 57.451 55.300 -0.031 0.000 1.124 597 M CB -0.903 31.699 32.600 0.003 0.000 1.326 597 M HN 0.511 nan 8.290 nan 0.000 0.410 598 E N -1.489 118.689 120.200 -0.037 0.000 2.209 598 E HA -0.199 4.152 4.350 0.001 0.000 0.196 598 E C 1.414 177.959 176.600 -0.093 0.000 0.993 598 E CA 1.783 58.154 56.400 -0.048 0.000 0.819 598 E CB -0.050 29.635 29.700 -0.024 0.000 0.745 598 E HN 0.555 nan 8.360 nan 0.000 0.477 599 T N 1.547 116.019 114.554 -0.136 0.000 2.732 599 T HA -0.067 4.283 4.350 0.001 0.000 0.261 599 T C 1.958 176.523 174.700 -0.225 0.000 1.040 599 T CA 0.894 62.862 62.100 -0.220 0.000 1.145 599 T CB -0.283 68.352 68.868 -0.389 0.000 0.866 599 T HN 0.151 nan 8.240 nan 0.000 0.427 600 L N 0.589 121.681 121.223 -0.218 0.000 2.054 600 L HA -0.286 4.054 4.340 0.001 0.000 0.220 600 L C 2.950 179.692 176.870 -0.214 0.000 1.081 600 L CA 1.740 56.423 54.840 -0.262 0.000 0.780 600 L CB -0.418 41.528 42.059 -0.187 0.000 0.893 600 L HN 0.246 nan 8.230 nan 0.000 0.438 601 R N -0.892 119.522 120.500 -0.144 0.000 2.070 601 R HA -0.139 4.201 4.340 0.001 0.000 0.232 601 R C 2.078 178.303 176.300 -0.126 0.000 1.138 601 R CA 2.010 58.043 56.100 -0.111 0.000 0.936 601 R CB -0.744 29.515 30.300 -0.069 0.000 0.839 601 R HN 0.387 nan 8.270 nan 0.000 0.429 602 T N 1.702 116.183 114.554 -0.122 0.000 2.918 602 T HA -0.093 4.258 4.350 0.001 0.000 0.271 602 T C 1.717 176.339 174.700 -0.129 0.000 1.104 602 T CA 0.876 62.908 62.100 -0.113 0.000 1.114 602 T CB -0.091 68.718 68.868 -0.099 0.000 0.855 602 T HN 0.180 nan 8.240 nan 0.000 0.518 603 L N -0.317 120.805 121.223 -0.169 0.000 2.307 603 L HA 0.169 4.509 4.340 0.001 0.000 0.211 603 L C 2.961 179.729 176.870 -0.171 0.000 1.099 603 L CA 0.542 55.273 54.840 -0.182 0.000 0.816 603 L CB -0.389 41.505 42.059 -0.275 0.000 0.952 603 L HN 0.071 nan 8.230 nan 0.000 0.455 604 R N 1.233 121.631 120.500 -0.169 0.000 2.075 604 R HA -0.037 4.303 4.340 0.001 0.000 0.226 604 R C 1.904 178.108 176.300 -0.159 0.000 1.114 604 R CA 0.935 56.940 56.100 -0.159 0.000 0.972 604 R CB 0.087 30.302 30.300 -0.143 0.000 0.869 604 R HN 0.294 nan 8.270 nan 0.000 0.437 605 R N -0.022 120.389 120.500 -0.147 0.000 2.319 605 R HA 0.027 4.367 4.340 0.001 0.000 0.204 605 R C 1.511 177.725 176.300 -0.144 0.000 0.954 605 R CA 0.449 56.456 56.100 -0.155 0.000 1.066 605 R CB 0.156 30.376 30.300 -0.133 0.000 0.991 605 R HN 0.019 nan 8.270 nan 0.000 0.486 606 K N -0.621 119.700 120.400 -0.132 0.000 2.402 606 K HA 0.088 4.408 4.320 0.001 0.000 0.203 606 K C 0.743 177.274 176.600 -0.114 0.000 1.077 606 K CA 0.571 56.792 56.287 -0.111 0.000 1.051 606 K CB 0.877 33.324 32.500 -0.088 0.000 0.907 606 K HN 0.216 nan 8.250 nan 0.000 0.554 607 G N 1.379 110.099 108.800 -0.134 0.000 2.225 607 G HA2 -0.299 3.661 3.960 0.001 0.000 0.254 607 G HA3 -0.299 3.661 3.960 0.001 0.000 0.254 607 G C 0.476 175.312 174.900 -0.106 0.000 0.988 607 G CA 0.646 45.670 45.100 -0.127 0.000 0.625 607 G HN 0.381 nan 8.290 nan 0.000 0.527 608 D N 0.393 120.732 120.400 -0.101 0.000 2.092 608 D HA 0.012 4.653 4.640 0.001 0.000 0.193 608 D C 1.626 177.859 176.300 -0.112 0.000 0.994 608 D CA 1.009 54.955 54.000 -0.090 0.000 0.828 608 D CB 0.028 40.779 40.800 -0.080 0.000 0.963 608 D HN 0.584 nan 8.370 nan 0.000 0.450 609 I N 1.167 121.646 120.570 -0.152 0.000 2.472 609 I HA 0.014 4.184 4.170 0.001 0.000 0.290 609 I C 0.728 176.764 176.117 -0.136 0.000 1.016 609 I CA -0.682 60.521 61.300 -0.163 0.000 1.348 609 I CB 0.851 38.722 38.000 -0.214 0.000 1.417 609 I HN -0.079 nan 8.210 nan 0.000 0.521 610 N N 7.523 126.154 118.700 -0.115 0.000 2.411 610 N HA -0.009 4.732 4.740 0.001 0.000 0.261 610 N C -1.857 173.583 175.510 -0.117 0.000 1.248 610 N CA -0.856 52.134 53.050 -0.100 0.000 0.885 610 N CB 1.266 39.705 38.487 -0.079 0.000 1.062 610 N HN 0.274 nan 8.380 nan 0.000 0.471 611 P HA -0.093 nan 4.420 nan 0.000 0.228 611 P C 0.382 177.600 177.300 -0.136 0.000 1.151 611 P CA 1.016 63.988 63.100 -0.213 0.000 0.770 611 P CB 0.119 31.609 31.700 -0.350 0.000 0.786 612 E N -1.268 118.899 120.200 -0.054 0.000 2.437 612 E HA 0.114 4.464 4.350 0.001 0.000 0.189 612 E C -0.188 176.285 176.600 -0.211 0.000 1.054 612 E CA -0.115 56.200 56.400 -0.143 0.000 0.874 612 E CB -0.119 29.513 29.700 -0.114 0.000 1.011 612 E HN -0.095 nan 8.360 nan 0.000 0.474 613 V N 2.120 121.960 119.914 -0.124 0.000 2.427 613 V HA 0.247 4.368 4.120 0.001 0.000 0.286 613 V C -0.115 175.947 176.094 -0.054 0.000 1.034 613 V CA -0.445 61.806 62.300 -0.082 0.000 0.893 613 V CB 1.639 33.417 31.823 -0.074 0.000 0.982 613 V HN 0.428 nan 8.190 nan 0.000 0.452 614 S N 6.739 122.437 115.700 -0.003 0.000 2.442 614 S HA 0.729 5.199 4.470 0.001 0.000 0.297 614 S C -0.671 173.964 174.600 0.058 0.000 1.131 614 S CA -0.759 57.461 58.200 0.033 0.000 1.092 614 S CB 0.935 64.168 63.200 0.055 0.000 0.998 614 S HN 0.601 nan 8.310 nan 0.000 0.478 615 M N 3.907 123.523 119.600 0.026 0.000 2.046 615 M HA 0.425 4.905 4.480 0.001 0.000 0.309 615 M C -1.481 174.831 176.300 0.020 0.000 0.935 615 M CA -0.391 54.914 55.300 0.007 0.000 0.915 615 M CB 1.085 33.666 32.600 -0.031 0.000 1.474 615 M HN 0.545 nan 8.290 nan 0.000 0.415 616 I N 3.050 123.638 120.570 0.031 0.000 2.388 616 I HA 0.396 4.566 4.170 0.001 0.000 0.281 616 I C 0.180 176.301 176.117 0.007 0.000 1.046 616 I CA -0.293 61.023 61.300 0.027 0.000 1.187 616 I CB 0.788 38.819 38.000 0.051 0.000 1.351 616 I HN 0.643 nan 8.210 nan 0.000 0.472 617 R N 3.605 124.110 120.500 0.008 0.000 2.560 617 R HA 0.361 4.701 4.340 0.001 0.000 0.270 617 R C -0.661 175.643 176.300 0.008 0.000 1.074 617 R CA -0.219 55.888 56.100 0.011 0.000 1.140 617 R CB 0.809 31.121 30.300 0.021 0.000 1.073 617 R HN 0.487 nan 8.270 nan 0.000 0.527 618 D N 4.601 125.007 120.400 0.011 0.000 2.472 618 D HA 0.124 4.764 4.640 0.001 0.000 0.248 618 D C 1.288 177.600 176.300 0.020 0.000 1.271 618 D CA -0.337 53.667 54.000 0.007 0.000 0.888 618 D CB 0.624 41.417 40.800 -0.012 0.000 1.337 618 D HN 0.476 nan 8.370 nan 0.000 0.526 619 I N 1.207 121.790 120.570 0.023 0.000 2.087 619 I HA -0.333 3.837 4.170 0.001 0.000 0.240 619 I C 2.370 178.506 176.117 0.031 0.000 1.054 619 I CA 1.121 62.439 61.300 0.031 0.000 1.311 619 I CB -0.496 37.520 38.000 0.026 0.000 1.024 619 I HN 0.283 nan 8.210 nan 0.000 0.402 620 R N 0.840 121.354 120.500 0.022 0.000 2.119 620 R HA -0.236 4.105 4.340 0.001 0.000 0.246 620 R C 1.958 178.274 176.300 0.028 0.000 1.146 620 R CA 1.835 57.947 56.100 0.020 0.000 0.962 620 R CB -0.377 29.929 30.300 0.009 0.000 0.863 620 R HN 0.348 nan 8.270 nan 0.000 0.442 621 E N 0.049 120.265 120.200 0.027 0.000 2.481 621 E HA 0.086 4.436 4.350 0.001 0.000 0.198 621 E C -0.821 175.817 176.600 0.063 0.000 1.027 621 E CA 0.022 56.441 56.400 0.032 0.000 0.900 621 E CB 0.138 29.841 29.700 0.004 0.000 0.993 621 E HN 0.140 nan 8.360 nan 0.000 0.482 622 K N 0.878 121.320 120.400 0.070 0.000 4.007 622 K HA -0.259 4.061 4.320 0.001 0.000 0.279 622 K C -0.549 176.111 176.600 0.100 0.000 0.919 622 K CA 0.797 57.142 56.287 0.097 0.000 0.800 622 K CB -1.349 31.230 32.500 0.131 0.000 1.572 622 K HN 0.223 nan 8.250 nan 0.000 0.443 623 E N 0.467 120.704 120.200 0.063 0.000 2.366 623 E HA 0.584 4.934 4.350 0.001 0.000 0.278 623 E C -1.823 174.790 176.600 0.022 0.000 0.923 623 E CA -0.867 55.551 56.400 0.031 0.000 0.761 623 E CB 1.603 31.269 29.700 -0.056 0.000 1.231 623 E HN 0.246 nan 8.360 nan 0.000 0.443 624 L N 3.047 124.291 121.223 0.035 0.000 2.518 624 L HA 0.483 4.823 4.340 0.001 0.000 0.262 624 L C -1.627 175.248 176.870 0.008 0.000 0.982 624 L CA -0.259 54.595 54.840 0.023 0.000 0.873 624 L CB 1.048 43.136 42.059 0.049 0.000 1.198 624 L HN 0.326 nan 8.230 nan 0.000 0.427 625 K N 5.268 125.625 120.400 -0.072 0.000 2.213 625 K HA 0.665 4.985 4.320 0.001 0.000 0.270 625 K C -1.031 175.492 176.600 -0.129 0.000 1.002 625 K CA -0.124 56.075 56.287 -0.147 0.000 0.868 625 K CB 1.271 33.640 32.500 -0.217 0.000 1.093 625 K HN 0.489 nan 8.250 nan 0.000 0.454 626 I N 3.628 124.081 120.570 -0.196 0.000 2.389 626 I HA 0.351 4.522 4.170 0.001 0.000 0.288 626 I C -0.740 175.225 176.117 -0.253 0.000 0.999 626 I CA -0.756 60.460 61.300 -0.140 0.000 1.129 626 I CB 0.883 38.832 38.000 -0.085 0.000 1.288 626 I HN 0.369 nan 8.210 nan 0.000 0.444 627 F N 3.381 123.318 119.950 -0.021 0.000 2.458 627 F HA 0.361 4.888 4.527 0.001 0.000 0.336 627 F C 1.002 176.777 175.800 -0.041 0.000 1.114 627 F CA -0.232 57.754 58.000 -0.024 0.000 0.987 627 F CB 2.180 41.161 39.000 -0.032 0.000 1.130 627 F HN 0.414 nan 8.300 nan 0.000 0.458 628 T N -0.335 114.320 114.554 0.169 0.000 3.040 628 T HA 0.025 4.375 4.350 0.001 0.000 0.266 628 T C -0.229 174.520 174.700 0.082 0.000 1.005 628 T CA -0.376 61.770 62.100 0.076 0.000 0.906 628 T CB -0.329 68.550 68.868 0.017 0.000 1.082 628 T HN 0.427 nan 8.240 nan 0.000 0.531 629 D N 2.722 123.218 120.400 0.160 0.000 2.658 629 D HA 0.187 4.827 4.640 0.001 0.000 0.230 629 D C 0.420 176.743 176.300 0.039 0.000 1.118 629 D CA 0.163 54.227 54.000 0.106 0.000 0.848 629 D CB 0.386 41.263 40.800 0.129 0.000 1.160 629 D HN 0.378 nan 8.370 nan 0.000 0.497 630 A N 3.579 126.416 122.820 0.027 0.000 2.655 630 A HA 0.501 4.821 4.320 0.001 0.000 0.297 630 A C 1.254 178.848 177.584 0.017 0.000 1.461 630 A CA 0.412 52.462 52.037 0.022 0.000 1.146 630 A CB -0.570 18.444 19.000 0.023 0.000 1.108 630 A HN 0.840 nan 8.150 nan 0.000 0.550 631 G N 2.030 110.840 108.800 0.015 0.000 2.870 631 G HA2 -0.087 3.874 3.960 0.001 0.000 0.216 631 G HA3 -0.087 3.874 3.960 0.001 0.000 0.216 631 G C 0.205 175.081 174.900 -0.039 0.000 0.973 631 G CA -0.737 44.360 45.100 -0.006 0.000 0.807 631 G HN 0.672 nan 8.290 nan 0.000 0.573 632 R N 0.827 121.314 120.500 -0.023 0.000 2.449 632 R HA 0.424 4.764 4.340 0.001 0.000 0.296 632 R C 0.365 176.711 176.300 0.077 0.000 1.047 632 R CA -0.134 55.941 56.100 -0.041 0.000 1.018 632 R CB 1.394 31.672 30.300 -0.037 0.000 0.962 632 R HN 0.047 nan 8.270 nan 0.000 0.428 633 V N 5.235 125.144 119.914 -0.008 0.000 2.686 633 V HA 0.165 4.285 4.120 0.001 0.000 0.295 633 V C -0.447 175.742 176.094 0.157 0.000 1.055 633 V CA 0.137 62.462 62.300 0.041 0.000 1.050 633 V CB 0.339 32.211 31.823 0.082 0.000 0.984 633 V HN 0.710 nan 8.190 nan 0.000 0.482 634 Y N 3.525 123.804 120.300 -0.035 0.000 2.519 634 Y HA 0.780 5.331 4.550 0.001 0.000 0.336 634 Y C -0.619 175.232 175.900 -0.082 0.000 1.089 634 Y CA -1.547 56.533 58.100 -0.034 0.000 1.025 634 Y CB 1.267 39.705 38.460 -0.036 0.000 1.318 634 Y HN 0.661 nan 8.280 nan 0.000 0.452 635 R N 2.575 123.126 120.500 0.085 0.000 2.778 635 R HA 0.789 5.129 4.340 0.001 0.000 0.277 635 R C -3.406 172.973 176.300 0.131 0.000 0.977 635 R CA -1.983 54.100 56.100 -0.030 0.000 0.950 635 R CB 2.728 32.986 30.300 -0.070 0.000 1.165 635 R HN 0.507 nan 8.270 nan 0.000 0.474 636 P HA 0.402 nan 4.420 nan 0.000 0.296 636 P C -1.287 176.109 177.300 0.161 0.000 1.301 636 P CA -0.741 62.569 63.100 0.351 0.000 0.862 636 P CB 1.625 33.690 31.700 0.609 0.000 1.046 637 L N -0.973 120.346 121.223 0.160 0.000 2.491 637 L HA 0.627 4.968 4.340 0.001 0.000 0.254 637 L C -0.365 176.494 176.870 -0.019 0.000 1.048 637 L CA -1.180 53.681 54.840 0.036 0.000 0.855 637 L CB 0.533 42.679 42.059 0.144 0.000 1.466 637 L HN 0.051 nan 8.230 nan 0.000 0.409 638 F N 0.690 120.657 119.950 0.027 0.000 2.490 638 F HA 0.425 4.953 4.527 0.001 0.000 0.336 638 F C 0.515 176.220 175.800 -0.159 0.000 1.178 638 F CA 0.316 58.279 58.000 -0.062 0.000 1.301 638 F CB 0.607 39.572 39.000 -0.058 0.000 1.175 638 F HN 0.298 nan 8.300 nan 0.000 0.593 639 I N 1.681 122.265 120.570 0.023 0.000 2.460 639 I HA 0.370 4.541 4.170 0.001 0.000 0.298 639 I C -0.929 175.121 176.117 -0.111 0.000 0.989 639 I CA -0.747 60.441 61.300 -0.188 0.000 1.173 639 I CB 1.746 39.613 38.000 -0.221 0.000 1.338 639 I HN 0.117 nan 8.210 nan 0.000 0.456 640 V N 4.978 124.817 119.914 -0.126 0.000 2.628 640 V HA 0.568 4.689 4.120 0.001 0.000 0.306 640 V C -0.331 175.736 176.094 -0.046 0.000 1.045 640 V CA -0.433 61.827 62.300 -0.066 0.000 0.905 640 V CB 1.881 33.700 31.823 -0.007 0.000 0.997 640 V HN 0.688 nan 8.190 nan 0.000 0.436 641 E N 1.314 121.488 120.200 -0.044 0.000 2.390 641 E HA 0.510 4.861 4.350 0.001 0.000 0.242 641 E C -1.767 174.814 176.600 -0.031 0.000 0.907 641 E CA -0.585 55.798 56.400 -0.027 0.000 0.884 641 E CB 1.487 31.166 29.700 -0.034 0.000 1.788 641 E HN 0.654 nan 8.360 nan 0.000 0.427 642 D N 0.199 120.587 120.400 -0.020 0.000 2.278 642 D HA 0.430 5.070 4.640 0.001 0.000 0.245 642 D C -1.448 174.844 176.300 -0.012 0.000 1.052 642 D CA -0.246 53.742 54.000 -0.019 0.000 0.834 642 D CB 1.285 42.095 40.800 0.017 0.000 1.194 642 D HN 0.208 nan 8.370 nan 0.000 0.481 643 D N 1.318 121.701 120.400 -0.028 0.000 2.601 643 D HA 0.291 4.931 4.640 0.001 0.000 0.230 643 D C 0.246 176.640 176.300 0.156 0.000 1.106 643 D CA -0.300 53.713 54.000 0.022 0.000 0.873 643 D CB 1.251 42.034 40.800 -0.027 0.000 1.515 643 D HN 0.488 nan 8.370 nan 0.000 0.468 644 E N -0.280 119.999 120.200 0.132 0.000 5.235 644 E HA -0.258 4.093 4.350 0.001 0.000 0.181 644 E C -0.204 176.464 176.600 0.114 0.000 1.139 644 E CA 1.662 58.145 56.400 0.139 0.000 1.955 644 E CB -0.978 28.837 29.700 0.192 0.000 1.828 644 E HN 0.280 nan 8.360 nan 0.000 0.385 645 S N -1.751 114.063 115.700 0.191 0.000 2.615 645 S HA 0.473 4.943 4.470 0.001 0.000 0.269 645 S C -1.031 173.653 174.600 0.140 0.000 1.161 645 S CA -0.577 57.685 58.200 0.103 0.000 0.817 645 S CB 1.446 64.632 63.200 -0.023 0.000 1.131 645 S HN 0.267 nan 8.310 nan 0.000 0.467 646 L N 2.908 124.178 121.223 0.077 0.000 3.168 646 L HA 0.243 4.584 4.340 0.001 0.000 0.253 646 L C 1.130 178.053 176.870 0.088 0.000 1.384 646 L CA 0.338 55.220 54.840 0.070 0.000 1.131 646 L CB -1.112 40.972 42.059 0.043 0.000 1.552 646 L HN 0.800 nan 8.230 nan 0.000 0.431 647 G N -1.263 107.631 108.800 0.157 0.000 3.226 647 G HA2 0.049 4.010 3.960 0.001 0.000 0.190 647 G HA3 0.049 4.010 3.960 0.001 0.000 0.190 647 G C 0.078 175.080 174.900 0.171 0.000 1.988 647 G CA 0.253 45.479 45.100 0.210 0.000 0.859 647 G HN 0.609 nan 8.290 nan 0.000 0.631 648 H N -0.563 118.533 119.070 0.043 0.000 3.572 648 H HA -0.073 4.483 4.556 0.001 0.000 0.335 648 H C 0.023 175.377 175.328 0.044 0.000 1.321 648 H CA 0.013 56.087 56.048 0.042 0.000 1.294 648 H CB -1.231 28.549 29.762 0.031 0.000 1.661 648 H HN 0.290 nan 8.280 nan 0.000 0.372 649 K N 1.144 121.482 120.400 -0.104 0.000 2.251 649 K HA 0.229 4.550 4.320 0.001 0.000 0.247 649 K C 0.160 176.612 176.600 -0.247 0.000 1.098 649 K CA 1.032 57.248 56.287 -0.118 0.000 0.800 649 K CB 0.209 32.728 32.500 0.031 0.000 1.086 649 K HN 0.495 nan 8.250 nan 0.000 0.520 650 E N -1.044 119.064 120.200 -0.154 0.000 2.972 650 E HA 0.134 4.484 4.350 0.001 0.000 0.311 650 E C -1.719 174.802 176.600 -0.133 0.000 1.132 650 E CA -0.270 56.033 56.400 -0.162 0.000 0.912 650 E CB 0.166 29.756 29.700 -0.183 0.000 1.174 650 E HN 0.198 nan 8.360 nan 0.000 0.462 651 L N 3.970 125.099 121.223 -0.156 0.000 2.514 651 L HA 0.083 4.423 4.340 0.001 0.000 0.280 651 L C 1.348 178.137 176.870 -0.135 0.000 1.223 651 L CA 1.041 55.773 54.840 -0.180 0.000 0.864 651 L CB 0.551 42.453 42.059 -0.262 0.000 1.118 651 L HN 0.782 nan 8.230 nan 0.000 0.494 652 K N 1.801 122.125 120.400 -0.127 0.000 2.211 652 K HA 0.066 4.387 4.320 0.001 0.000 0.201 652 K C 0.183 176.706 176.600 -0.127 0.000 1.052 652 K CA 0.249 56.475 56.287 -0.103 0.000 0.973 652 K CB 0.312 32.750 32.500 -0.103 0.000 0.766 652 K HN 0.425 nan 8.250 nan 0.000 0.466 653 V N 3.632 123.451 119.914 -0.157 0.000 2.572 653 V HA 0.073 4.193 4.120 0.001 0.000 0.291 653 V C 0.499 176.606 176.094 0.021 0.000 1.039 653 V CA -0.176 62.032 62.300 -0.153 0.000 1.055 653 V CB 0.630 32.423 31.823 -0.050 0.000 0.969 653 V HN 0.179 nan 8.190 nan 0.000 0.482 654 R N 2.989 123.696 120.500 0.344 0.000 2.944 654 R HA 0.463 4.803 4.340 0.001 0.000 0.233 654 R C 1.167 177.548 176.300 0.135 0.000 1.346 654 R CA -1.068 55.160 56.100 0.213 0.000 1.082 654 R CB 0.444 30.863 30.300 0.199 0.000 1.434 654 R HN 0.527 nan 8.270 nan 0.000 0.510 655 K N 0.499 120.930 120.400 0.051 0.000 2.147 655 K HA -0.086 4.234 4.320 0.001 0.000 0.205 655 K C 1.713 178.317 176.600 0.006 0.000 1.049 655 K CA 1.732 58.037 56.287 0.030 0.000 0.936 655 K CB -0.351 32.157 32.500 0.013 0.000 0.722 655 K HN 0.689 nan 8.250 nan 0.000 0.446 656 G N 0.666 109.432 108.800 -0.056 0.000 2.524 656 G HA2 -0.260 3.700 3.960 0.001 0.000 0.215 656 G HA3 -0.260 3.700 3.960 0.001 0.000 0.215 656 G C 1.132 175.949 174.900 -0.139 0.000 1.239 656 G CA 0.809 45.826 45.100 -0.139 0.000 0.798 656 G HN 0.358 nan 8.290 nan 0.000 0.557 657 H N 0.021 119.062 119.070 -0.048 0.000 2.375 657 H HA -0.169 4.387 4.556 0.001 0.000 0.289 657 H C 2.574 177.878 175.328 -0.039 0.000 1.121 657 H CA 1.784 57.802 56.048 -0.050 0.000 1.207 657 H CB -0.371 29.424 29.762 0.056 0.000 1.355 657 H HN 0.305 nan 8.280 nan 0.000 0.486 658 I N 0.545 121.198 120.570 0.137 0.000 2.286 658 I HA -0.126 4.045 4.170 0.001 0.000 0.245 658 I C 2.610 178.778 176.117 0.086 0.000 1.104 658 I CA 1.268 62.650 61.300 0.136 0.000 1.397 658 I CB -0.463 37.619 38.000 0.137 0.000 1.072 658 I HN 0.199 nan 8.210 nan 0.000 0.417 659 A N -0.629 122.212 122.820 0.035 0.000 1.929 659 A HA -0.188 4.133 4.320 0.001 0.000 0.216 659 A C 2.300 179.890 177.584 0.010 0.000 1.176 659 A CA 1.280 53.337 52.037 0.034 0.000 0.628 659 A CB -0.547 18.463 19.000 0.017 0.000 0.816 659 A HN 0.338 nan 8.150 nan 0.000 0.444 660 K N -0.628 119.718 120.400 -0.090 0.000 2.574 660 K HA 0.105 4.425 4.320 0.001 0.000 0.193 660 K C 1.376 177.876 176.600 -0.167 0.000 1.035 660 K CA 0.250 56.423 56.287 -0.189 0.000 0.982 660 K CB -0.227 32.021 32.500 -0.420 0.000 0.795 660 K HN 0.495 nan 8.250 nan 0.000 0.491 661 L N -0.398 120.814 121.223 -0.018 0.000 2.130 661 L HA -0.052 4.288 4.340 0.001 0.000 0.200 661 L C 2.083 179.055 176.870 0.170 0.000 1.075 661 L CA 0.855 55.786 54.840 0.152 0.000 0.768 661 L CB -0.054 42.144 42.059 0.232 0.000 0.933 661 L HN 0.175 nan 8.230 nan 0.000 0.451 662 M N -0.842 118.858 119.600 0.166 0.000 2.319 662 M HA -0.051 4.430 4.480 0.001 0.000 0.265 662 M C 2.368 178.805 176.300 0.229 0.000 1.068 662 M CA 1.275 56.697 55.300 0.204 0.000 1.118 662 M CB -0.557 32.166 32.600 0.206 0.000 1.395 662 M HN 0.236 nan 8.290 nan 0.000 0.435 663 A N 0.676 123.601 122.820 0.176 0.000 1.997 663 A HA -0.200 4.120 4.320 0.001 0.000 0.221 663 A C 2.238 179.790 177.584 -0.053 0.000 1.172 663 A CA 2.482 54.584 52.037 0.108 0.000 0.645 663 A CB -1.260 17.775 19.000 0.057 0.000 0.813 663 A HN 0.533 nan 8.150 nan 0.000 0.454 664 T N -1.111 113.461 114.554 0.030 0.000 2.896 664 T HA -0.053 4.298 4.350 0.001 0.000 0.263 664 T C 1.810 176.513 174.700 0.005 0.000 1.050 664 T CA 1.148 63.261 62.100 0.022 0.000 1.140 664 T CB -0.119 68.820 68.868 0.119 0.000 0.877 664 T HN 0.728 nan 8.240 nan 0.000 0.457 665 E N 0.874 121.123 120.200 0.081 0.000 2.017 665 E HA -0.188 4.162 4.350 0.001 0.000 0.193 665 E C 2.183 178.844 176.600 0.103 0.000 0.997 665 E CA 1.389 57.860 56.400 0.119 0.000 0.804 665 E CB -0.255 29.556 29.700 0.184 0.000 0.757 665 E HN 0.744 nan 8.360 nan 0.000 0.448 666 Y N 0.233 120.569 120.300 0.061 0.000 2.293 666 Y HA 0.044 4.594 4.550 0.001 0.000 0.291 666 Y C 1.305 177.228 175.900 0.037 0.000 1.137 666 Y CA 0.393 58.519 58.100 0.044 0.000 1.202 666 Y CB -0.301 38.182 38.460 0.037 0.000 0.990 666 Y HN -0.086 nan 8.280 nan 0.000 0.537 667 Q N 3.043 122.419 119.800 -0.706 0.000 2.736 667 Q HA 0.126 4.466 4.340 0.001 0.000 0.234 667 Q C -1.332 174.553 176.000 -0.190 0.000 1.354 667 Q CA 0.901 56.385 55.803 -0.531 0.000 0.891 667 Q CB -0.478 27.949 28.738 -0.519 0.000 1.665 667 Q HN 0.717 nan 8.270 nan 0.000 0.563 679 Y N 1.894 122.219 120.300 0.043 0.000 2.278 679 Y HA 0.550 5.100 4.550 0.001 0.000 0.328 679 Y C -1.398 174.555 175.900 0.088 0.000 1.166 679 Y CA 0.202 58.337 58.100 0.059 0.000 1.211 679 Y CB 1.174 39.670 38.460 0.061 0.000 1.167 679 Y HN 0.178 nan 8.280 nan 0.000 0.434 680 T N 0.840 115.408 114.554 0.024 0.000 2.901 680 T HA 0.161 4.511 4.350 0.001 0.000 0.293 680 T C 0.676 175.430 174.700 0.089 0.000 1.084 680 T CA -0.560 61.621 62.100 0.135 0.000 1.008 680 T CB 1.395 70.352 68.868 0.149 0.000 1.170 680 T HN 0.862 nan 8.240 nan 0.000 0.509 681 W N 1.213 122.509 121.300 -0.007 0.000 2.285 681 W HA -0.416 4.245 4.660 0.001 0.000 0.361 681 W C 1.901 178.362 176.519 -0.096 0.000 1.651 681 W CA 2.849 60.180 57.345 -0.022 0.000 1.687 681 W CB -1.313 28.131 29.460 -0.026 0.000 0.965 681 W HN 0.740 nan 8.180 nan 0.000 0.471 682 S N 0.410 116.095 115.700 -0.025 0.000 2.380 682 S HA -0.250 4.221 4.470 0.001 0.000 0.229 682 S C 1.747 176.173 174.600 -0.290 0.000 1.043 682 S CA 2.037 60.131 58.200 -0.176 0.000 1.038 682 S CB -0.681 62.485 63.200 -0.056 0.000 0.872 682 S HN 0.431 nan 8.310 nan 0.000 0.456 683 S N 1.561 117.059 115.700 -0.337 0.000 2.359 683 S HA -0.132 4.338 4.470 0.001 0.000 0.223 683 S C 1.812 176.136 174.600 -0.460 0.000 1.039 683 S CA 1.549 59.432 58.200 -0.528 0.000 1.042 683 S CB -0.559 61.952 63.200 -1.148 0.000 0.915 683 S HN 0.389 nan 8.310 nan 0.000 0.439 684 L N 0.512 121.477 121.223 -0.429 0.000 2.056 684 L HA -0.054 4.286 4.340 0.001 0.000 0.207 684 L C 2.363 178.966 176.870 -0.446 0.000 1.078 684 L CA 0.690 55.325 54.840 -0.341 0.000 0.749 684 L CB -0.573 41.305 42.059 -0.300 0.000 0.901 684 L HN 0.203 nan 8.230 nan 0.000 0.433 685 L N 0.203 121.049 121.223 -0.628 0.000 2.012 685 L HA -0.227 4.113 4.340 0.001 0.000 0.210 685 L C 2.006 178.638 176.870 -0.397 0.000 1.073 685 L CA 1.877 56.346 54.840 -0.620 0.000 0.748 685 L CB -0.534 41.102 42.059 -0.704 0.000 0.891 685 L HN 0.262 nan 8.230 nan 0.000 0.431 686 N N -0.738 117.770 118.700 -0.319 0.000 2.494 686 N HA -0.083 4.657 4.740 0.001 0.000 0.182 686 N C 1.158 176.558 175.510 -0.183 0.000 1.076 686 N CA 0.613 53.528 53.050 -0.224 0.000 0.908 686 N CB 0.061 38.438 38.487 -0.183 0.000 0.967 686 N HN 0.469 nan 8.380 nan 0.000 0.449 687 E N -0.745 119.338 120.200 -0.196 0.000 2.481 687 E HA 0.181 4.532 4.350 0.001 0.000 0.198 687 E C 0.361 176.878 176.600 -0.139 0.000 1.027 687 E CA -0.159 56.162 56.400 -0.132 0.000 0.900 687 E CB 0.329 29.977 29.700 -0.086 0.000 0.993 687 E HN 0.261 nan 8.360 nan 0.000 0.482 688 G N 1.698 110.388 108.800 -0.184 0.000 2.295 688 G HA2 -0.276 3.685 3.960 0.001 0.000 0.287 688 G HA3 -0.276 3.685 3.960 0.001 0.000 0.287 688 G C 0.511 175.309 174.900 -0.170 0.000 1.055 688 G CA 0.184 45.179 45.100 -0.176 0.000 0.922 688 G HN 0.319 nan 8.290 nan 0.000 0.503 689 L N -1.580 119.523 121.223 -0.199 0.000 2.590 689 L HA 0.506 4.846 4.340 0.001 0.000 0.227 689 L C 0.998 177.796 176.870 -0.121 0.000 1.099 689 L CA 0.248 54.985 54.840 -0.171 0.000 0.872 689 L CB 0.747 42.682 42.059 -0.206 0.000 1.088 689 L HN 0.312 nan 8.230 nan 0.000 0.479 690 V N -0.791 118.986 119.914 -0.228 0.000 3.216 690 V HA 0.458 4.578 4.120 0.001 0.000 0.302 690 V C -1.833 174.096 176.094 -0.276 0.000 1.286 690 V CA -0.474 61.666 62.300 -0.267 0.000 1.048 690 V CB 2.963 34.496 31.823 -0.484 0.000 1.081 690 V HN 0.129 nan 8.190 nan 0.000 0.442 691 E N 1.276 121.381 120.200 -0.159 0.000 2.372 691 E HA 0.462 4.812 4.350 0.001 0.000 0.279 691 E C -1.884 174.812 176.600 0.162 0.000 0.946 691 E CA -0.617 55.729 56.400 -0.090 0.000 0.769 691 E CB 2.095 31.790 29.700 -0.008 0.000 1.230 691 E HN 0.674 nan 8.360 nan 0.000 0.442 692 Y N 2.261 122.612 120.300 0.084 0.000 2.301 692 Y HA 0.413 4.964 4.550 0.001 0.000 0.328 692 Y C 0.320 176.298 175.900 0.129 0.000 1.242 692 Y CA -0.927 57.278 58.100 0.176 0.000 1.323 692 Y CB 0.942 39.473 38.460 0.117 0.000 1.266 692 Y HN 0.262 nan 8.280 nan 0.000 0.527 693 I N 3.100 123.884 120.570 0.356 0.000 2.586 693 I HA 0.069 4.240 4.170 0.001 0.000 0.288 693 I C -0.720 175.529 176.117 0.219 0.000 1.147 693 I CA -0.952 60.478 61.300 0.216 0.000 1.047 693 I CB 1.497 39.603 38.000 0.177 0.000 1.244 693 I HN 0.702 nan 8.210 nan 0.000 0.429 694 D N 5.233 125.726 120.400 0.154 0.000 2.506 694 D HA 0.443 5.083 4.640 0.001 0.000 0.272 694 D C 0.936 177.311 176.300 0.125 0.000 1.214 694 D CA -0.458 53.633 54.000 0.152 0.000 1.067 694 D CB 1.048 41.897 40.800 0.082 0.000 1.117 694 D HN 0.412 nan 8.370 nan 0.000 0.578 695 A N -0.224 122.676 122.820 0.132 0.000 1.858 695 A HA -0.220 4.100 4.320 0.001 0.000 0.216 695 A C 2.056 179.737 177.584 0.160 0.000 1.190 695 A CA 2.250 54.393 52.037 0.178 0.000 0.617 695 A CB -1.057 18.087 19.000 0.240 0.000 0.827 695 A HN 0.731 nan 8.150 nan 0.000 0.443 696 E N 0.059 120.300 120.200 0.068 0.000 2.038 696 E HA -0.258 4.092 4.350 0.001 0.000 0.195 696 E C 1.974 178.596 176.600 0.037 0.000 1.000 696 E CA 1.959 58.360 56.400 0.001 0.000 0.803 696 E CB -0.310 29.322 29.700 -0.113 0.000 0.750 696 E HN 0.697 nan 8.360 nan 0.000 0.448 697 E N 0.075 120.299 120.200 0.040 0.000 2.110 697 E HA -0.274 4.076 4.350 0.001 0.000 0.193 697 E C 1.984 178.594 176.600 0.017 0.000 0.988 697 E CA 1.222 57.642 56.400 0.032 0.000 0.804 697 E CB -0.152 29.569 29.700 0.035 0.000 0.745 697 E HN 0.384 nan 8.360 nan 0.000 0.458 698 E N 0.196 120.423 120.200 0.046 0.000 2.169 698 E HA -0.280 4.070 4.350 0.001 0.000 0.202 698 E C 1.877 178.493 176.600 0.027 0.000 1.016 698 E CA 1.491 57.917 56.400 0.043 0.000 0.817 698 E CB 0.072 29.837 29.700 0.107 0.000 0.736 698 E HN 0.282 nan 8.360 nan 0.000 0.462 699 E N -0.201 120.030 120.200 0.052 0.000 2.114 699 E HA -0.181 4.169 4.350 0.001 0.000 0.199 699 E C 1.833 178.440 176.600 0.013 0.000 1.008 699 E CA 1.657 58.086 56.400 0.048 0.000 0.810 699 E CB -0.202 29.533 29.700 0.059 0.000 0.739 699 E HN 0.296 nan 8.360 nan 0.000 0.456 700 S N 0.048 115.746 115.700 -0.004 0.000 2.574 700 S HA 0.247 4.718 4.470 0.001 0.000 0.242 700 S C 0.825 175.409 174.600 -0.026 0.000 0.982 700 S CA -0.593 57.601 58.200 -0.010 0.000 0.977 700 S CB -0.803 62.395 63.200 -0.002 0.000 0.814 700 S HN 0.211 nan 8.310 nan 0.000 0.464 701 I N -1.641 118.897 120.570 -0.052 0.000 2.648 701 I HA 0.745 4.916 4.170 0.001 0.000 0.304 701 I C -0.945 175.169 176.117 -0.006 0.000 1.009 701 I CA -1.608 59.653 61.300 -0.065 0.000 1.114 701 I CB 1.702 39.533 38.000 -0.282 0.000 1.293 701 I HN 0.055 nan 8.210 nan 0.000 0.449 702 L N 6.123 127.378 121.223 0.053 0.000 2.318 702 L HA 0.569 4.909 4.340 0.001 0.000 0.277 702 L C -0.819 176.221 176.870 0.284 0.000 1.008 702 L CA -0.184 54.700 54.840 0.074 0.000 0.846 702 L CB 0.813 42.837 42.059 -0.058 0.000 1.220 702 L HN 0.510 nan 8.230 nan 0.000 0.423 703 I N 4.891 125.623 120.570 0.270 0.000 2.331 703 I HA 0.517 4.687 4.170 0.001 0.000 0.292 703 I C 0.760 177.067 176.117 0.317 0.000 0.998 703 I CA -0.606 60.879 61.300 0.309 0.000 1.267 703 I CB 1.475 39.599 38.000 0.205 0.000 1.386 703 I HN 0.726 nan 8.210 nan 0.000 0.476 704 A N 5.453 128.299 122.820 0.042 0.000 2.407 704 A HA 0.269 4.589 4.320 0.001 0.000 0.248 704 A C 0.755 178.288 177.584 -0.085 0.000 1.082 704 A CA -0.278 51.568 52.037 -0.319 0.000 0.785 704 A CB 0.654 19.086 19.000 -0.948 0.000 1.020 704 A HN 0.846 nan 8.150 nan 0.000 0.489 705 M N 0.279 119.838 119.600 -0.069 0.000 2.171 705 M HA 0.097 4.578 4.480 0.001 0.000 0.260 705 M C 0.665 176.932 176.300 -0.055 0.000 1.087 705 M CA 1.848 57.140 55.300 -0.013 0.000 1.154 705 M CB -0.171 32.419 32.600 -0.018 0.000 1.331 705 M HN 0.777 nan 8.290 nan 0.000 0.431 706 Q N -1.108 118.631 119.800 -0.102 0.000 2.377 706 Q HA 0.322 4.663 4.340 0.001 0.000 0.271 706 Q C -2.079 173.822 176.000 -0.165 0.000 1.077 706 Q CA -1.881 53.858 55.803 -0.108 0.000 0.820 706 Q CB 1.839 30.531 28.738 -0.076 0.000 1.347 706 Q HN -0.007 nan 8.270 nan 0.000 0.444 707 P HA -0.204 nan 4.420 nan 0.000 0.213 707 P C 0.864 178.050 177.300 -0.189 0.000 1.170 707 P CA 1.189 64.160 63.100 -0.216 0.000 0.889 707 P CB 0.306 31.884 31.700 -0.203 0.000 0.782 708 E N -0.275 119.859 120.200 -0.111 0.000 2.230 708 E HA -0.140 4.210 4.350 0.001 0.000 0.192 708 E C 1.143 177.724 176.600 -0.032 0.000 0.987 708 E CA 1.010 57.371 56.400 -0.065 0.000 0.841 708 E CB -1.106 28.583 29.700 -0.018 0.000 0.783 708 E HN 0.141 nan 8.360 nan 0.000 0.481 709 D N 1.194 121.576 120.400 -0.030 0.000 2.182 709 D HA -0.055 4.585 4.640 0.001 0.000 0.201 709 D C 1.042 177.326 176.300 -0.026 0.000 0.986 709 D CA 1.017 55.025 54.000 0.014 0.000 0.847 709 D CB 0.217 41.023 40.800 0.009 0.000 0.942 709 D HN 0.287 nan 8.370 nan 0.000 0.467 710 L N 0.118 121.201 121.223 -0.233 0.000 3.059 710 L HA 0.311 4.651 4.340 0.001 0.000 0.298 710 L C 0.047 176.512 176.870 -0.675 0.000 1.304 710 L CA -0.127 54.426 54.840 -0.478 0.000 0.855 710 L CB 0.330 42.255 42.059 -0.223 0.000 1.266 710 L HN -0.031 nan 8.230 nan 0.000 0.572 711 E N -1.938 117.837 120.200 -0.708 0.000 2.385 711 E HA 0.012 4.362 4.350 0.001 0.000 0.093 711 E C -2.226 174.318 176.600 -0.094 0.000 0.756 711 E CA -0.209 55.956 56.400 -0.391 0.000 1.441 711 E CB -0.729 28.808 29.700 -0.271 0.000 1.215 711 E HN 0.188 nan 8.360 nan 0.000 0.451 712 P HA 0.386 nan 4.420 nan 0.000 0.220 712 P C 0.323 177.699 177.300 0.127 0.000 1.154 712 P CA 1.479 64.618 63.100 0.066 0.000 0.830 712 P CB 0.602 32.334 31.700 0.053 0.000 0.803 713 A N -1.682 121.253 122.820 0.191 0.000 2.375 713 A HA 0.550 4.870 4.320 0.001 0.000 0.299 713 A C -1.807 175.822 177.584 0.074 0.000 1.044 713 A CA -0.670 51.446 52.037 0.132 0.000 0.585 713 A CB 0.222 19.271 19.000 0.082 0.000 1.438 713 A HN -0.146 nan 8.150 nan 0.000 0.574 714 E N -0.058 120.146 120.200 0.007 0.000 2.248 714 E HA 0.638 4.988 4.350 0.001 0.000 0.267 714 E C 0.282 176.861 176.600 -0.035 0.000 0.877 714 E CA 0.002 56.365 56.400 -0.062 0.000 0.759 714 E CB 1.880 31.526 29.700 -0.089 0.000 1.182 714 E HN 1.135 nan 8.360 nan 0.000 0.418 723 V N 0.889 120.817 119.914 0.024 0.000 2.409 723 V HA 0.626 4.747 4.120 0.001 0.000 0.291 723 V C -0.938 175.175 176.094 0.031 0.000 1.020 723 V CA -0.705 61.612 62.300 0.029 0.000 0.848 723 V CB 1.494 33.334 31.823 0.029 0.000 0.990 723 V HN 0.179 nan 8.190 nan 0.000 0.430 724 D N 8.568 128.989 120.400 0.036 0.000 2.433 724 D HA 0.149 4.790 4.640 0.001 0.000 0.274 724 D C -1.106 175.218 176.300 0.040 0.000 1.344 724 D CA -0.750 53.273 54.000 0.038 0.000 0.989 724 D CB 1.153 41.979 40.800 0.042 0.000 1.116 724 D HN 0.596 nan 8.370 nan 0.000 0.533 725 P HA -0.066 nan 4.420 nan 0.000 0.250 725 P C 0.240 177.565 177.300 0.041 0.000 1.239 725 P CA 0.333 63.455 63.100 0.036 0.000 0.756 725 P CB 0.205 31.924 31.700 0.031 0.000 1.013 726 A N -0.600 122.249 122.820 0.048 0.000 2.303 726 A HA 0.147 4.467 4.320 0.001 0.000 0.217 726 A C 0.778 178.404 177.584 0.071 0.000 1.205 726 A CA 0.149 52.219 52.037 0.054 0.000 0.875 726 A CB -0.069 18.961 19.000 0.051 0.000 0.910 726 A HN 0.162 nan 8.150 nan 0.000 0.501 727 K N 1.391 121.834 120.400 0.072 0.000 2.159 727 K HA 0.417 4.737 4.320 0.001 0.000 0.266 727 K C -0.363 176.283 176.600 0.077 0.000 0.975 727 K CA -0.827 55.513 56.287 0.088 0.000 0.865 727 K CB 1.295 33.849 32.500 0.089 0.000 1.087 727 K HN 0.465 nan 8.250 nan 0.000 0.446 728 R N 2.116 122.666 120.500 0.084 0.000 2.466 728 R HA -0.117 4.223 4.340 0.001 0.000 0.280 728 R C -0.213 176.119 176.300 0.052 0.000 0.926 728 R CA -0.019 56.117 56.100 0.061 0.000 1.127 728 R CB -0.310 30.027 30.300 0.062 0.000 0.871 728 R HN 0.440 nan 8.270 nan 0.000 0.421 729 I N 4.302 124.895 120.570 0.038 0.000 2.576 729 I HA 0.010 4.180 4.170 0.001 0.000 0.288 729 I C 1.019 177.155 176.117 0.031 0.000 1.126 729 I CA 0.425 61.745 61.300 0.034 0.000 1.362 729 I CB -0.323 37.693 38.000 0.026 0.000 1.419 729 I HN 0.561 nan 8.210 nan 0.000 0.533 730 R N 5.134 125.657 120.500 0.039 0.000 2.441 730 R HA 0.283 4.624 4.340 0.001 0.000 0.284 730 R C 1.180 177.507 176.300 0.045 0.000 1.070 730 R CA -0.504 55.619 56.100 0.039 0.000 1.047 730 R CB 1.336 31.666 30.300 0.050 0.000 1.016 730 R HN 0.454 nan 8.270 nan 0.000 0.477 731 V N 0.577 120.515 119.914 0.040 0.000 2.301 731 V HA -0.191 3.929 4.120 0.001 0.000 0.220 731 V C 0.841 176.991 176.094 0.094 0.000 0.954 731 V CA 0.952 63.283 62.300 0.053 0.000 1.009 731 V CB -0.700 31.148 31.823 0.041 0.000 0.663 731 V HN 0.789 nan 8.190 nan 0.000 0.496 732 S N -3.768 112.016 115.700 0.140 0.000 2.690 732 S HA 0.301 4.772 4.470 0.001 0.000 0.264 732 S C 0.058 174.851 174.600 0.320 0.000 1.040 732 S CA 0.006 58.333 58.200 0.210 0.000 0.869 732 S CB 0.459 63.781 63.200 0.203 0.000 1.132 732 S HN 0.780 nan 8.310 nan 0.000 0.474 733 H N 0.440 119.571 119.070 0.101 0.000 2.501 733 H HA 0.114 4.671 4.556 0.001 0.000 0.317 733 H C 1.060 176.490 175.328 0.169 0.000 1.057 733 H CA 1.074 57.211 56.048 0.148 0.000 1.371 733 H CB -0.247 29.561 29.762 0.077 0.000 1.501 733 H HN 0.744 nan 8.280 nan 0.000 0.620 734 H N -0.326 118.869 119.070 0.210 0.000 5.117 734 H HA -0.187 4.369 4.556 0.001 0.000 0.074 734 H C 0.548 175.873 175.328 -0.004 0.000 0.550 734 H CA 0.874 56.964 56.048 0.071 0.000 1.091 734 H CB -1.318 28.465 29.762 0.036 0.000 0.520 734 H HN 0.517 nan 8.280 nan 0.000 0.712 735 A N 1.584 124.434 122.820 0.050 0.000 2.454 735 A HA 0.449 4.769 4.320 0.001 0.000 0.260 735 A C 1.089 178.488 177.584 -0.309 0.000 1.106 735 A CA 0.772 52.665 52.037 -0.240 0.000 0.780 735 A CB -0.033 18.657 19.000 -0.516 0.000 1.044 735 A HN 0.603 nan 8.150 nan 0.000 0.498 736 T N -0.983 113.435 114.554 -0.227 0.000 3.584 736 T HA 0.443 4.793 4.350 0.001 0.000 0.259 736 T C -0.058 174.585 174.700 -0.096 0.000 1.009 736 T CA 0.269 62.318 62.100 -0.085 0.000 1.103 736 T CB -0.008 68.871 68.868 0.019 0.000 1.099 736 T HN 1.046 nan 8.240 nan 0.000 0.539 737 T N 0.602 115.008 114.554 -0.247 0.000 4.519 737 T HA 0.341 4.691 4.350 0.001 0.000 0.261 737 T C -0.669 173.931 174.700 -0.168 0.000 0.931 737 T CA -0.474 61.541 62.100 -0.141 0.000 1.158 737 T CB -0.828 67.967 68.868 -0.121 0.000 0.926 737 T HN 0.340 nan 8.240 nan 0.000 0.504 738 F N 1.542 121.506 119.950 0.024 0.000 2.440 738 F HA 0.440 4.967 4.527 0.001 0.000 0.323 738 F C 2.156 177.991 175.800 0.058 0.000 1.192 738 F CA 0.778 58.800 58.000 0.036 0.000 1.252 738 F CB 1.380 40.389 39.000 0.017 0.000 1.214 738 F HN 0.384 nan 8.300 nan 0.000 0.578 739 T N -3.713 111.056 114.554 0.358 0.000 3.177 739 T HA 0.252 4.602 4.350 0.001 0.000 0.262 739 T C -0.041 174.849 174.700 0.317 0.000 0.959 739 T CA 0.046 62.336 62.100 0.317 0.000 0.996 739 T CB -0.082 69.023 68.868 0.395 0.000 1.185 739 T HN 0.451 nan 8.240 nan 0.000 0.486 740 H N -0.263 118.901 119.070 0.157 0.000 2.824 740 H HA 0.835 5.392 4.556 0.001 0.000 0.345 740 H C -0.851 174.533 175.328 0.094 0.000 1.252 740 H CA -1.241 54.882 56.048 0.124 0.000 1.246 740 H CB 1.754 31.592 29.762 0.127 0.000 1.908 740 H HN 0.474 nan 8.280 nan 0.000 0.601 741 C N 0.960 120.391 119.300 0.218 0.000 3.006 741 C HA 0.406 4.866 4.460 0.001 0.000 0.359 741 C C -0.468 174.659 174.990 0.227 0.000 1.103 741 C CA -0.571 58.522 59.018 0.125 0.000 1.286 741 C CB 0.673 28.408 27.740 -0.009 0.000 1.694 741 C HN 0.905 nan 8.230 nan 0.000 0.511 742 E N 2.547 122.852 120.200 0.175 0.000 2.422 742 E HA 0.216 4.567 4.350 0.001 0.000 0.260 742 E C 0.974 177.708 176.600 0.223 0.000 1.108 742 E CA 0.010 56.516 56.400 0.176 0.000 0.943 742 E CB 0.439 30.234 29.700 0.158 0.000 0.961 742 E HN 0.542 nan 8.360 nan 0.000 0.443 743 I N 1.105 121.734 120.570 0.098 0.000 2.188 743 I HA -0.068 4.102 4.170 0.001 0.000 0.237 743 I C 0.556 176.742 176.117 0.114 0.000 1.073 743 I CA 1.350 62.692 61.300 0.071 0.000 1.359 743 I CB -0.584 37.290 38.000 -0.210 0.000 1.083 743 I HN 0.594 nan 8.210 nan 0.000 0.412 744 H N -0.481 118.501 119.070 -0.146 0.000 3.087 744 H HA 0.224 4.780 4.556 0.001 0.000 0.348 744 H C -2.241 173.039 175.328 -0.079 0.000 1.092 744 H CA -1.022 54.932 56.048 -0.158 0.000 1.285 744 H CB 2.202 31.676 29.762 -0.480 0.000 1.875 744 H HN -0.246 nan 8.280 nan 0.000 0.512 745 P HA -0.226 nan 4.420 nan 0.000 0.216 745 P C 1.432 178.895 177.300 0.271 0.000 1.150 745 P CA 2.169 65.331 63.100 0.103 0.000 0.843 745 P CB 0.110 31.850 31.700 0.067 0.000 0.787 746 S N -1.650 114.392 115.700 0.570 0.000 2.441 746 S HA -0.215 4.255 4.470 0.001 0.000 0.242 746 S C 1.752 176.430 174.600 0.131 0.000 1.018 746 S CA 1.279 59.718 58.200 0.399 0.000 0.988 746 S CB -1.165 62.314 63.200 0.465 0.000 0.778 746 S HN 0.014 nan 8.310 nan 0.000 0.498 747 M N 1.766 121.374 119.600 0.014 0.000 2.492 747 M HA 0.198 4.679 4.480 0.001 0.000 0.262 747 M C 2.025 178.216 176.300 -0.182 0.000 1.090 747 M CA 0.519 55.753 55.300 -0.109 0.000 1.110 747 M CB -1.295 31.188 32.600 -0.195 0.000 1.407 747 M HN 0.589 nan 8.290 nan 0.000 0.470 748 I N -1.744 118.665 120.570 -0.269 0.000 2.530 748 I HA -0.149 4.021 4.170 0.001 0.000 0.257 748 I C 0.912 176.909 176.117 -0.200 0.000 1.179 748 I CA 0.490 61.560 61.300 -0.383 0.000 1.440 748 I CB -0.676 36.952 38.000 -0.620 0.000 1.087 748 I HN 0.018 nan 8.210 nan 0.000 0.440 749 L N 1.482 122.641 121.223 -0.106 0.000 2.439 749 L HA 0.404 4.745 4.340 0.001 0.000 0.261 749 L C 1.472 178.305 176.870 -0.062 0.000 1.153 749 L CA -0.129 54.675 54.840 -0.060 0.000 0.808 749 L CB 0.862 42.905 42.059 -0.027 0.000 1.126 749 L HN 0.172 nan 8.230 nan 0.000 0.460 750 G N 0.533 109.299 108.800 -0.057 0.000 2.522 750 G HA2 0.112 4.073 3.960 0.001 0.000 0.223 750 G HA3 0.112 4.073 3.960 0.001 0.000 0.223 750 G C 0.764 175.638 174.900 -0.043 0.000 1.565 750 G CA -0.022 45.045 45.100 -0.056 0.000 1.053 750 G HN 0.421 nan 8.290 nan 0.000 0.547 751 V N -0.477 119.405 119.914 -0.052 0.000 2.788 751 V HA 0.310 4.431 4.120 0.001 0.000 0.241 751 V C 2.759 178.795 176.094 -0.096 0.000 1.083 751 V CA 1.780 64.044 62.300 -0.060 0.000 1.103 751 V CB 0.289 32.075 31.823 -0.060 0.000 0.800 751 V HN 0.711 nan 8.190 nan 0.000 0.476 752 A N -0.764 122.001 122.820 -0.091 0.000 2.095 752 A HA 0.437 4.757 4.320 0.001 0.000 0.212 752 A C 1.997 179.521 177.584 -0.099 0.000 1.162 752 A CA 1.037 53.009 52.037 -0.109 0.000 0.753 752 A CB -0.225 18.726 19.000 -0.082 0.000 0.840 752 A HN 0.586 nan 8.150 nan 0.000 0.468 753 A N -0.311 122.466 122.820 -0.071 0.000 2.251 753 A HA 0.219 4.539 4.320 0.001 0.000 0.209 753 A C 1.676 179.219 177.584 -0.068 0.000 1.187 753 A CA 1.038 53.044 52.037 -0.053 0.000 0.823 753 A CB -0.358 18.628 19.000 -0.023 0.000 0.846 753 A HN 0.316 nan 8.150 nan 0.000 0.486 754 S N 0.281 115.925 115.700 -0.092 0.000 2.631 754 S HA 0.101 4.571 4.470 0.001 0.000 0.217 754 S C 1.185 175.699 174.600 -0.144 0.000 0.958 754 S CA 0.156 58.302 58.200 -0.090 0.000 0.920 754 S CB -0.146 63.018 63.200 -0.059 0.000 0.776 754 S HN 0.562 nan 8.310 nan 0.000 0.517 755 I N 0.603 121.058 120.570 -0.192 0.000 3.462 755 I HA 0.224 4.394 4.170 0.001 0.000 0.290 755 I C 0.720 176.756 176.117 -0.134 0.000 1.236 755 I CA 0.118 61.265 61.300 -0.254 0.000 1.418 755 I CB -0.951 36.807 38.000 -0.402 0.000 1.102 755 I HN 0.222 nan 8.210 nan 0.000 0.441 756 I N 5.147 125.663 120.570 -0.090 0.000 2.742 756 I HA -0.018 4.152 4.170 0.001 0.000 0.287 756 I C -2.061 174.060 176.117 0.007 0.000 1.186 756 I CA -0.921 60.368 61.300 -0.018 0.000 1.417 756 I CB -0.041 37.980 38.000 0.035 0.000 1.377 756 I HN -0.089 nan 8.210 nan 0.000 0.556 757 P HA 0.300 nan 4.420 nan 0.000 0.273 757 P C -0.979 176.495 177.300 0.289 0.000 1.531 757 P CA -0.469 62.670 63.100 0.066 0.000 1.027 757 P CB 0.000 31.796 31.700 0.159 0.000 1.387 758 F N 3.104 123.091 119.950 0.061 0.000 2.423 758 F HA -0.127 4.400 4.527 0.001 0.000 0.403 758 F C -1.714 174.155 175.800 0.115 0.000 1.142 758 F CA -0.450 57.608 58.000 0.096 0.000 1.321 758 F CB -2.097 36.960 39.000 0.094 0.000 1.934 758 F HN 0.277 nan 8.300 nan 0.000 0.782 759 P HA -0.058 nan 4.420 nan 0.000 0.227 759 P C 1.283 178.674 177.300 0.152 0.000 1.161 759 P CA 1.415 64.606 63.100 0.151 0.000 0.788 759 P CB 0.164 31.905 31.700 0.069 0.000 0.822 760 D N -1.640 118.850 120.400 0.149 0.000 2.264 760 D HA -0.192 4.449 4.640 0.001 0.000 0.208 760 D C 1.434 177.741 176.300 0.010 0.000 0.966 760 D CA 1.271 55.361 54.000 0.150 0.000 0.864 760 D CB -1.424 39.507 40.800 0.218 0.000 0.933 760 D HN 0.302 nan 8.370 nan 0.000 0.499 761 H N -0.225 118.932 119.070 0.145 0.000 2.548 761 H HA 0.213 4.769 4.556 0.001 0.000 0.265 761 H C 0.144 175.481 175.328 0.015 0.000 0.969 761 H CA 0.007 56.091 56.048 0.060 0.000 1.155 761 H CB 0.191 29.948 29.762 -0.007 0.000 1.394 761 H HN 0.233 nan 8.280 nan 0.000 0.570 762 N N 1.273 120.052 118.700 0.133 0.000 2.492 762 N HA 0.049 4.790 4.740 0.001 0.000 0.289 762 N C 0.008 175.552 175.510 0.058 0.000 1.133 762 N CA -0.381 52.712 53.050 0.070 0.000 0.961 762 N CB 1.684 40.226 38.487 0.092 0.000 1.186 762 N HN 0.172 nan 8.380 nan 0.000 0.493 763 Q N 0.654 120.472 119.800 0.029 0.000 2.340 763 Q HA 0.086 4.427 4.340 0.001 0.000 0.249 763 Q C 0.481 176.501 176.000 0.033 0.000 0.957 763 Q CA -0.343 55.474 55.803 0.024 0.000 0.882 763 Q CB 0.899 29.637 28.738 0.001 0.000 1.235 763 Q HN 0.825 nan 8.270 nan 0.000 0.439 764 S N 2.678 118.406 115.700 0.048 0.000 2.461 764 S HA 0.035 4.505 4.470 0.001 0.000 0.228 764 S C -1.501 173.153 174.600 0.090 0.000 1.005 764 S CA 0.228 58.471 58.200 0.072 0.000 0.942 764 S CB -0.630 62.614 63.200 0.074 0.000 0.776 764 S HN 0.599 nan 8.310 nan 0.000 0.514 765 P HA 0.074 nan 4.420 nan 0.000 0.203 765 P C 1.374 178.770 177.300 0.161 0.000 1.202 765 P CA 0.616 63.826 63.100 0.184 0.000 0.917 765 P CB -0.061 31.774 31.700 0.224 0.000 0.750 766 R N -0.299 120.109 120.500 -0.152 0.000 2.459 766 R HA -0.279 4.061 4.340 0.001 0.000 0.216 766 R C 1.749 178.107 176.300 0.097 0.000 0.939 766 R CA 2.193 58.169 56.100 -0.206 0.000 0.742 766 R CB -2.579 27.648 30.300 -0.122 0.000 0.901 766 R HN 0.399 nan 8.270 nan 0.000 0.382 767 N N -0.226 118.544 118.700 0.117 0.000 2.084 767 N HA -0.111 4.629 4.740 0.001 0.000 0.190 767 N C 1.696 177.288 175.510 0.136 0.000 1.030 767 N CA 2.047 55.169 53.050 0.119 0.000 0.849 767 N CB -0.499 38.048 38.487 0.100 0.000 1.012 767 N HN 0.388 nan 8.380 nan 0.000 0.423 768 T N 1.357 116.014 114.554 0.173 0.000 2.653 768 T HA -0.196 4.155 4.350 0.001 0.000 0.268 768 T C 1.810 176.616 174.700 0.175 0.000 1.035 768 T CA 1.461 63.653 62.100 0.153 0.000 1.154 768 T CB -0.670 68.286 68.868 0.147 0.000 0.862 768 T HN 0.379 nan 8.240 nan 0.000 0.441 769 Y N 1.160 121.466 120.300 0.010 0.000 2.070 769 Y HA -0.200 4.350 4.550 0.001 0.000 0.279 769 Y C 3.059 178.958 175.900 -0.001 0.000 1.134 769 Y CA 0.895 58.999 58.100 0.007 0.000 1.113 769 Y CB -0.574 37.894 38.460 0.014 0.000 0.981 769 Y HN 0.074 nan 8.280 nan 0.000 0.487 770 Q N 0.792 120.702 119.800 0.183 0.000 2.268 770 Q HA -0.215 4.125 4.340 0.001 0.000 0.213 770 Q C 1.996 178.016 176.000 0.034 0.000 0.995 770 Q CA 2.229 58.073 55.803 0.068 0.000 0.901 770 Q CB -0.592 28.158 28.738 0.020 0.000 0.921 770 Q HN 0.333 nan 8.270 nan 0.000 0.421 771 S N -0.892 114.834 115.700 0.043 0.000 2.428 771 S HA 0.076 4.547 4.470 0.001 0.000 0.230 771 S C 1.683 176.279 174.600 -0.007 0.000 1.014 771 S CA 0.684 58.885 58.200 0.002 0.000 0.957 771 S CB -0.220 62.982 63.200 0.003 0.000 0.784 771 S HN 0.599 nan 8.310 nan 0.000 0.499 772 A N 1.148 123.970 122.820 0.004 0.000 2.067 772 A HA 0.142 4.462 4.320 0.001 0.000 0.217 772 A C 1.959 179.551 177.584 0.013 0.000 1.156 772 A CA 0.757 52.792 52.037 -0.003 0.000 0.683 772 A CB -0.361 18.624 19.000 -0.024 0.000 0.808 772 A HN 0.490 nan 8.150 nan 0.000 0.455 773 M N -1.188 118.424 119.600 0.019 0.000 2.486 773 M HA 0.101 4.581 4.480 0.001 0.000 0.264 773 M C 2.163 178.451 176.300 -0.020 0.000 1.125 773 M CA 0.874 56.183 55.300 0.014 0.000 1.144 773 M CB -0.415 32.199 32.600 0.024 0.000 1.353 773 M HN 0.399 nan 8.290 nan 0.000 0.466 774 G N 1.723 110.505 108.800 -0.030 0.000 2.499 774 G HA2 -0.216 3.745 3.960 0.001 0.000 0.221 774 G HA3 -0.216 3.745 3.960 0.001 0.000 0.221 774 G C 1.713 176.582 174.900 -0.052 0.000 1.109 774 G CA 1.007 46.077 45.100 -0.050 0.000 0.749 774 G HN 0.425 nan 8.290 nan 0.000 0.568 775 K N -0.552 119.827 120.400 -0.035 0.000 2.202 775 K HA 0.117 4.438 4.320 0.001 0.000 0.201 775 K C 2.375 178.967 176.600 -0.014 0.000 1.051 775 K CA 0.221 56.497 56.287 -0.018 0.000 0.977 775 K CB 0.080 32.588 32.500 0.013 0.000 0.792 775 K HN 0.122 nan 8.250 nan 0.000 0.469 776 Q N 0.688 120.488 119.800 0.001 0.000 2.515 776 Q HA 0.084 4.425 4.340 0.001 0.000 0.212 776 Q C 0.394 176.319 176.000 -0.126 0.000 0.970 776 Q CA 0.200 56.026 55.803 0.037 0.000 0.941 776 Q CB 0.135 28.904 28.738 0.051 0.000 0.998 776 Q HN 0.206 nan 8.270 nan 0.000 0.518 777 A N 0.802 123.471 122.820 -0.252 0.000 2.327 777 A HA 0.369 4.689 4.320 0.001 0.000 0.255 777 A C 0.216 177.430 177.584 -0.616 0.000 1.099 777 A CA -0.068 51.779 52.037 -0.318 0.000 0.801 777 A CB 0.412 19.311 19.000 -0.168 0.000 1.062 777 A HN 0.208 nan 8.150 nan 0.000 0.496 778 M N 0.125 119.493 119.600 -0.387 0.000 2.472 778 M HA 0.601 5.082 4.480 0.001 0.000 0.331 778 M C 0.349 176.565 176.300 -0.140 0.000 1.170 778 M CA 0.237 55.356 55.300 -0.302 0.000 1.009 778 M CB 2.173 34.690 32.600 -0.139 0.000 1.672 778 M HN 1.078 nan 8.290 nan 0.000 0.453 779 G N 0.368 109.131 108.800 -0.061 0.000 2.313 779 G HA2 0.292 4.253 3.960 0.001 0.000 0.296 779 G HA3 0.292 4.253 3.960 0.001 0.000 0.296 779 G C -1.486 173.462 174.900 0.080 0.000 1.356 779 G CA -1.067 44.044 45.100 0.020 0.000 0.833 779 G HN 0.554 nan 8.290 nan 0.000 0.552 780 V N 1.214 121.161 119.914 0.055 0.000 2.506 780 V HA 0.215 4.335 4.120 0.001 0.000 0.296 780 V C 1.306 177.448 176.094 0.080 0.000 1.004 780 V CA 1.303 63.635 62.300 0.053 0.000 1.150 780 V CB -0.761 31.036 31.823 -0.044 0.000 0.911 780 V HN 0.910 nan 8.190 nan 0.000 0.476 781 F N 3.334 123.293 119.950 0.015 0.000 2.721 781 F HA 0.662 5.189 4.527 0.000 0.000 0.301 781 F C 0.263 176.110 175.800 0.078 0.000 1.096 781 F CA -0.308 57.737 58.000 0.074 0.000 1.308 781 F CB 0.418 39.470 39.000 0.087 0.000 1.086 781 F HN 0.282 nan 8.300 nan 0.000 0.587 782 L N 1.609 122.405 121.223 -0.712 0.000 3.111 782 L HA 0.064 4.405 4.340 0.001 0.000 0.259 782 L C 0.199 176.809 176.870 -0.433 0.000 0.946 782 L CA -0.292 54.167 54.840 -0.634 0.000 1.119 782 L CB 1.855 43.443 42.059 -0.785 0.000 1.698 782 L HN 0.008 nan 8.230 nan 0.000 0.540 783 T N -0.650 113.733 114.554 -0.284 0.000 3.398 783 T HA -0.082 4.269 4.350 0.001 0.000 0.268 783 T C 0.946 175.500 174.700 -0.243 0.000 1.216 783 T CA 1.155 63.142 62.100 -0.189 0.000 1.018 783 T CB -0.873 67.990 68.868 -0.010 0.000 0.887 783 T HN 0.644 nan 8.240 nan 0.000 0.586 784 N N -0.396 118.106 118.700 -0.330 0.000 2.301 784 N HA -0.001 4.740 4.740 0.001 0.000 0.247 784 N C 0.849 176.141 175.510 -0.364 0.000 1.347 784 N CA -0.556 52.300 53.050 -0.322 0.000 0.844 784 N CB -0.595 37.794 38.487 -0.162 0.000 1.332 784 N HN 0.490 nan 8.380 nan 0.000 0.494 785 Y N 2.075 122.207 120.300 -0.279 0.000 2.165 785 Y HA -0.100 4.450 4.550 0.001 0.000 0.286 785 Y C 1.634 177.384 175.900 -0.251 0.000 1.155 785 Y CA 1.568 59.517 58.100 -0.252 0.000 1.164 785 Y CB -1.436 36.894 38.460 -0.215 0.000 0.978 785 Y HN -0.003 nan 8.280 nan 0.000 0.513 786 N N 0.736 119.139 118.700 -0.495 0.000 2.580 786 N HA -0.141 4.599 4.740 0.001 0.000 0.193 786 N C 0.883 176.298 175.510 -0.159 0.000 1.075 786 N CA 1.591 54.496 53.050 -0.242 0.000 0.921 786 N CB -0.900 37.430 38.487 -0.263 0.000 0.950 786 N HN 0.499 nan 8.380 nan 0.000 0.449 787 V N -1.876 117.945 119.914 -0.155 0.000 3.572 787 V HA 0.194 4.315 4.120 0.001 0.000 0.260 787 V C 0.880 176.942 176.094 -0.054 0.000 1.324 787 V CA -0.103 62.141 62.300 -0.094 0.000 1.068 787 V CB -0.061 31.706 31.823 -0.093 0.000 0.837 787 V HN 0.071 nan 8.190 nan 0.000 0.450 788 R N 0.556 121.032 120.500 -0.040 0.000 2.546 788 R HA 0.616 4.956 4.340 0.001 0.000 0.266 788 R C -0.352 175.947 176.300 -0.002 0.000 1.086 788 R CA -0.223 55.881 56.100 0.006 0.000 1.160 788 R CB 0.566 30.903 30.300 0.062 0.000 1.138 788 R HN 0.071 nan 8.270 nan 0.000 0.567 789 M N 2.706 122.317 119.600 0.018 0.000 2.073 789 M HA 0.192 4.673 4.480 0.001 0.000 0.218 789 M C -1.746 174.564 176.300 0.016 0.000 0.949 789 M CA -0.839 54.465 55.300 0.008 0.000 0.722 789 M CB 0.830 33.434 32.600 0.005 0.000 1.762 789 M HN 0.633 nan 8.290 nan 0.000 0.348 790 D N 0.118 120.517 120.400 -0.002 0.000 2.433 790 D HA 0.519 5.160 4.640 0.001 0.000 0.236 790 D C -0.223 176.036 176.300 -0.068 0.000 1.026 790 D CA -0.451 53.537 54.000 -0.020 0.000 0.884 790 D CB 0.687 41.477 40.800 -0.018 0.000 1.384 790 D HN 0.177 nan 8.370 nan 0.000 0.477 791 T N 0.041 114.542 114.554 -0.087 0.000 2.867 791 T HA 0.348 4.699 4.350 0.001 0.000 0.297 791 T C 0.493 175.095 174.700 -0.162 0.000 0.989 791 T CA -0.415 61.602 62.100 -0.138 0.000 1.159 791 T CB -0.246 68.545 68.868 -0.129 0.000 0.928 791 T HN 0.530 nan 8.240 nan 0.000 0.538 792 M N 1.238 120.711 119.600 -0.212 0.000 4.046 792 M HA -0.020 4.460 4.480 0.001 0.000 0.157 792 M C -0.296 175.867 176.300 -0.227 0.000 1.532 792 M CA 0.723 55.889 55.300 -0.223 0.000 1.097 792 M CB -0.906 31.609 32.600 -0.142 0.000 1.346 792 M HN 1.111 nan 8.290 nan 0.000 0.191 793 A N 3.966 126.671 122.820 -0.192 0.000 2.454 793 A HA 0.960 5.280 4.320 0.001 0.000 0.302 793 A C -0.671 176.974 177.584 0.101 0.000 1.079 793 A CA -0.766 51.206 52.037 -0.110 0.000 0.731 793 A CB 1.710 20.706 19.000 -0.008 0.000 1.299 793 A HN 0.723 nan 8.150 nan 0.000 0.413 794 N N 0.771 119.567 118.700 0.159 0.000 2.558 794 N HA 0.489 5.229 4.740 0.001 0.000 0.285 794 N C -1.894 173.727 175.510 0.186 0.000 1.112 794 N CA -0.040 53.173 53.050 0.272 0.000 0.857 794 N CB 1.520 40.267 38.487 0.434 0.000 1.376 794 N HN 0.537 nan 8.380 nan 0.000 0.526 795 I N 1.736 122.394 120.570 0.146 0.000 2.569 795 I HA 0.339 4.510 4.170 0.001 0.000 0.296 795 I C -0.410 175.774 176.117 0.112 0.000 1.028 795 I CA -0.662 60.678 61.300 0.067 0.000 1.082 795 I CB 2.130 40.038 38.000 -0.154 0.000 1.264 795 I HN 0.223 nan 8.210 nan 0.000 0.429 796 L N 6.005 127.289 121.223 0.102 0.000 2.313 796 L HA 0.159 4.499 4.340 0.001 0.000 0.282 796 L C 0.560 177.554 176.870 0.206 0.000 1.092 796 L CA 0.488 55.426 54.840 0.164 0.000 0.831 796 L CB 0.192 42.338 42.059 0.145 0.000 1.159 796 L HN 0.479 nan 8.230 nan 0.000 0.442 797 Y N 4.003 124.340 120.300 0.062 0.000 2.128 797 Y HA -0.177 4.374 4.550 0.001 0.000 0.284 797 Y C 0.148 175.866 175.900 -0.303 0.000 1.154 797 Y CA 1.247 59.308 58.100 -0.065 0.000 1.149 797 Y CB -0.189 38.352 38.460 0.136 0.000 0.976 797 Y HN 0.438 nan 8.280 nan 0.000 0.505 798 Y N 0.247 120.679 120.300 0.219 0.000 2.594 798 Y HA 0.366 4.916 4.550 0.001 0.000 0.338 798 Y C -2.445 173.513 175.900 0.097 0.000 1.019 798 Y CA -3.607 54.563 58.100 0.116 0.000 1.306 798 Y CB 0.681 39.194 38.460 0.088 0.000 1.094 798 Y HN -0.123 nan 8.280 nan 0.000 0.534 799 P HA 0.303 nan 4.420 nan 0.000 0.278 799 P C -1.027 176.328 177.300 0.092 0.000 1.258 799 P CA -0.539 62.633 63.100 0.120 0.000 0.811 799 P CB 1.744 33.474 31.700 0.050 0.000 1.063 800 Q N 0.082 119.941 119.800 0.099 0.000 2.334 800 Q HA 0.185 4.526 4.340 0.001 0.000 0.249 800 Q C -0.774 175.238 176.000 0.020 0.000 0.909 800 Q CA -0.864 54.988 55.803 0.082 0.000 0.823 800 Q CB 1.793 30.610 28.738 0.132 0.000 1.353 800 Q HN 0.351 nan 8.270 nan 0.000 0.433 801 K N 2.449 122.777 120.400 -0.119 0.000 2.484 801 K HA 0.201 4.521 4.320 0.001 0.000 0.280 801 K C -2.388 174.022 176.600 -0.316 0.000 1.013 801 K CA -0.687 55.441 56.287 -0.264 0.000 1.029 801 K CB -0.016 32.358 32.500 -0.210 0.000 0.902 801 K HN 0.088 nan 8.250 nan 0.000 0.481 802 P HA -0.014 nan 4.420 nan 0.000 0.273 802 P C 0.106 177.213 177.300 -0.322 0.000 1.250 802 P CA -0.348 62.320 63.100 -0.720 0.000 0.793 802 P CB 0.650 31.640 31.700 -1.182 0.000 1.011 803 L N -0.702 120.392 121.223 -0.214 0.000 2.492 803 L HA 0.196 4.536 4.340 0.001 0.000 0.223 803 L C 1.432 178.233 176.870 -0.115 0.000 1.132 803 L CA 0.715 55.480 54.840 -0.125 0.000 0.850 803 L CB -0.452 41.562 42.059 -0.074 0.000 0.966 803 L HN 0.498 nan 8.230 nan 0.000 0.454 804 G N 0.166 108.883 108.800 -0.139 0.000 2.990 804 G HA2 0.460 4.421 3.960 0.001 0.000 0.300 804 G HA3 0.460 4.421 3.960 0.001 0.000 0.300 804 G C -0.279 174.543 174.900 -0.130 0.000 1.498 804 G CA -0.165 44.877 45.100 -0.097 0.000 1.074 804 G HN -0.004 nan 8.290 nan 0.000 0.542 805 T N -1.061 113.401 114.554 -0.154 0.000 2.937 805 T HA 0.819 5.169 4.350 0.001 0.000 0.283 805 T C -0.101 174.471 174.700 -0.214 0.000 1.012 805 T CA -0.677 61.328 62.100 -0.159 0.000 0.997 805 T CB 2.234 71.012 68.868 -0.151 0.000 1.136 805 T HN 0.199 nan 8.240 nan 0.000 0.551 806 T N 1.329 115.758 114.554 -0.208 0.000 2.848 806 T HA 0.418 4.768 4.350 0.001 0.000 0.285 806 T C 1.164 175.676 174.700 -0.312 0.000 0.995 806 T CA -0.931 61.017 62.100 -0.255 0.000 0.970 806 T CB 1.866 70.623 68.868 -0.184 0.000 0.976 806 T HN 0.517 nan 8.240 nan 0.000 0.441 807 R N 1.826 122.019 120.500 -0.513 0.000 2.185 807 R HA -0.153 4.188 4.340 0.001 0.000 0.247 807 R C 2.182 178.240 176.300 -0.404 0.000 1.159 807 R CA 1.452 57.079 56.100 -0.789 0.000 0.988 807 R CB -0.763 28.421 30.300 -1.861 0.000 0.871 807 R HN 0.777 nan 8.270 nan 0.000 0.458 808 A N 0.042 122.802 122.820 -0.100 0.000 2.121 808 A HA -0.088 4.233 4.320 0.001 0.000 0.218 808 A C 2.145 179.722 177.584 -0.012 0.000 1.154 808 A CA 0.816 52.939 52.037 0.143 0.000 0.679 808 A CB -0.280 18.814 19.000 0.157 0.000 0.795 808 A HN 0.215 nan 8.150 nan 0.000 0.458 809 M N -1.050 118.483 119.600 -0.111 0.000 2.132 809 M HA -0.161 4.320 4.480 0.001 0.000 0.263 809 M C 2.151 178.399 176.300 -0.085 0.000 1.065 809 M CA 1.871 57.136 55.300 -0.059 0.000 1.122 809 M CB -0.302 32.303 32.600 0.009 0.000 1.365 809 M HN 0.651 nan 8.290 nan 0.000 0.411 810 E N 0.329 120.367 120.200 -0.269 0.000 2.086 810 E HA -0.246 4.104 4.350 0.001 0.000 0.200 810 E C 1.573 177.966 176.600 -0.344 0.000 1.012 810 E CA 1.946 58.120 56.400 -0.376 0.000 0.812 810 E CB -0.170 29.142 29.700 -0.646 0.000 0.743 810 E HN 0.642 nan 8.360 nan 0.000 0.453 811 Y N -0.159 120.062 120.300 -0.132 0.000 2.516 811 Y HA -0.013 4.537 4.550 0.000 0.000 0.291 811 Y C 2.063 177.846 175.900 -0.195 0.000 1.131 811 Y CA 0.023 57.957 58.100 -0.276 0.000 1.281 811 Y CB 0.121 38.141 38.460 -0.732 0.000 1.013 811 Y HN 0.126 nan 8.280 nan 0.000 0.554 812 L N 0.234 121.461 121.223 0.007 0.000 2.509 812 L HA -0.017 4.324 4.340 0.001 0.000 0.222 812 L C 0.505 177.531 176.870 0.260 0.000 1.123 812 L CA 0.867 55.756 54.840 0.083 0.000 0.856 812 L CB -0.195 41.880 42.059 0.028 0.000 0.985 812 L HN 0.250 nan 8.230 nan 0.000 0.456 813 K N -1.210 119.316 120.400 0.210 0.000 3.161 813 K HA -0.246 4.074 4.320 0.001 0.000 0.270 813 K C 0.675 177.424 176.600 0.248 0.000 1.115 813 K CA 0.444 56.886 56.287 0.258 0.000 0.789 813 K CB -2.123 30.624 32.500 0.411 0.000 1.256 813 K HN 0.154 nan 8.250 nan 0.000 0.492 814 F N 1.941 121.905 119.950 0.022 0.000 2.188 814 F HA 0.022 4.550 4.527 0.001 0.000 0.289 814 F C 2.232 178.010 175.800 -0.037 0.000 1.082 814 F CA 1.137 59.142 58.000 0.008 0.000 1.282 814 F CB 0.056 39.054 39.000 -0.004 0.000 1.060 814 F HN 0.128 nan 8.300 nan 0.000 0.493 815 R N 0.538 120.985 120.500 -0.088 0.000 2.355 815 R HA -0.137 4.204 4.340 0.001 0.000 0.219 815 R C 0.565 176.773 176.300 -0.154 0.000 1.107 815 R CA 1.471 57.464 56.100 -0.178 0.000 1.021 815 R CB -1.008 29.223 30.300 -0.116 0.000 0.852 815 R HN 0.379 nan 8.270 nan 0.000 0.475 816 E N -0.054 120.070 120.200 -0.125 0.000 2.514 816 E HA 0.323 4.673 4.350 0.001 0.000 0.215 816 E C 0.236 176.677 176.600 -0.264 0.000 0.946 816 E CA 0.029 56.375 56.400 -0.090 0.000 1.038 816 E CB 0.934 30.685 29.700 0.085 0.000 1.069 816 E HN 0.041 nan 8.360 nan 0.000 0.503 817 L N 2.088 123.121 121.223 -0.315 0.000 2.435 817 L HA 0.299 4.639 4.340 0.001 0.000 0.259 817 L C -2.630 174.059 176.870 -0.301 0.000 1.563 817 L CA -1.437 53.174 54.840 -0.381 0.000 0.789 817 L CB 1.345 43.015 42.059 -0.648 0.000 0.989 817 L HN -0.056 nan 8.230 nan 0.000 0.522 818 P HA 0.251 nan 4.420 nan 0.000 0.273 818 P C -0.767 176.445 177.300 -0.147 0.000 1.250 818 P CA -0.216 62.569 63.100 -0.525 0.000 0.793 818 P CB 1.546 33.021 31.700 -0.376 0.000 1.011 819 A N 0.099 122.906 122.820 -0.021 0.000 2.381 819 A HA 0.760 5.080 4.320 0.001 0.000 0.299 819 A C -0.185 177.393 177.584 -0.009 0.000 1.049 819 A CA -0.059 52.001 52.037 0.038 0.000 0.715 819 A CB 1.115 20.146 19.000 0.052 0.000 1.222 819 A HN 0.904 nan 8.150 nan 0.000 0.428 820 G N 0.859 109.593 108.800 -0.109 0.000 2.465 820 G HA2 0.370 4.330 3.960 0.001 0.000 0.681 820 G HA3 0.370 4.330 3.960 0.001 0.000 0.681 820 G C -1.386 173.454 174.900 -0.098 0.000 1.340 820 G CA -0.839 43.957 45.100 -0.508 0.000 0.884 820 G HN 0.938 nan 8.290 nan 0.000 0.650 821 Q N -0.210 119.621 119.800 0.051 0.000 2.345 821 Q HA 0.354 4.694 4.340 0.001 0.000 0.275 821 Q C -0.412 175.700 176.000 0.188 0.000 1.063 821 Q CA -1.080 54.814 55.803 0.152 0.000 0.819 821 Q CB 1.896 30.552 28.738 -0.137 0.000 1.356 821 Q HN 0.489 nan 8.270 nan 0.000 0.418 822 N N 1.321 120.140 118.700 0.198 0.000 3.210 822 N HA 0.095 4.836 4.740 0.001 0.000 0.314 822 N C -0.561 174.957 175.510 0.014 0.000 1.291 822 N CA 0.081 53.229 53.050 0.164 0.000 1.202 822 N CB 0.137 38.679 38.487 0.091 0.000 1.475 822 N HN 0.560 nan 8.380 nan 0.000 0.554 823 A N 1.347 124.148 122.820 -0.032 0.000 2.591 823 A HA -0.065 4.255 4.320 0.001 0.000 0.244 823 A C 0.827 178.344 177.584 -0.112 0.000 1.031 823 A CA 0.066 52.017 52.037 -0.142 0.000 0.767 823 A CB 0.083 18.989 19.000 -0.156 0.000 0.942 823 A HN 0.328 nan 8.150 nan 0.000 0.514 824 I N 2.872 123.333 120.570 -0.181 0.000 2.618 824 I HA 0.118 4.289 4.170 0.001 0.000 0.284 824 I C 0.289 176.197 176.117 -0.347 0.000 1.146 824 I CA 0.492 61.632 61.300 -0.267 0.000 1.425 824 I CB 0.758 38.608 38.000 -0.250 0.000 1.383 824 I HN 0.310 nan 8.210 nan 0.000 0.562 825 V N 6.300 125.941 119.914 -0.456 0.000 2.525 825 V HA 0.612 4.733 4.120 0.001 0.000 0.299 825 V C 0.033 175.912 176.094 -0.359 0.000 1.034 825 V CA -0.674 61.435 62.300 -0.317 0.000 0.863 825 V CB 1.901 33.693 31.823 -0.051 0.000 0.999 825 V HN 0.883 nan 8.190 nan 0.000 0.423 826 A N 6.779 129.489 122.820 -0.183 0.000 2.292 826 A HA 0.797 5.117 4.320 0.001 0.000 0.319 826 A C -0.237 177.403 177.584 0.094 0.000 1.206 826 A CA -0.474 51.584 52.037 0.035 0.000 0.835 826 A CB 0.453 19.514 19.000 0.102 0.000 1.164 826 A HN 0.818 nan 8.150 nan 0.000 0.505 827 I N 1.841 122.516 120.570 0.175 0.000 2.578 827 I HA 0.534 4.705 4.170 0.001 0.000 0.284 827 I C 0.314 176.516 176.117 0.142 0.000 1.156 827 I CA -0.076 61.313 61.300 0.148 0.000 1.165 827 I CB 0.160 38.250 38.000 0.150 0.000 1.567 827 I HN 0.523 nan 8.210 nan 0.000 0.546 828 A N 2.684 125.577 122.820 0.122 0.000 2.413 828 A HA 0.657 4.977 4.320 0.001 0.000 0.307 828 A C -0.188 177.471 177.584 0.125 0.000 1.087 828 A CA -0.500 51.612 52.037 0.125 0.000 0.750 828 A CB 1.205 20.297 19.000 0.154 0.000 1.296 828 A HN 0.654 nan 8.150 nan 0.000 0.423 829 C N 1.920 121.289 119.300 0.114 0.000 2.657 829 C HA 0.369 4.829 4.460 0.001 0.000 0.404 829 C C 0.689 175.833 174.990 0.255 0.000 1.369 829 C CA 0.010 59.115 59.018 0.145 0.000 1.665 829 C CB -2.033 25.764 27.740 0.096 0.000 2.453 829 C HN 0.831 nan 8.230 nan 0.000 0.599 830 Y N 2.574 122.934 120.300 0.100 0.000 2.661 830 Y HA 0.170 4.720 4.550 0.001 0.000 0.129 830 Y C 2.330 178.340 175.900 0.184 0.000 0.900 830 Y CA 0.835 59.020 58.100 0.142 0.000 1.715 830 Y CB -0.576 37.979 38.460 0.158 0.000 1.115 830 Y HN 0.562 nan 8.280 nan 0.000 0.353 831 S N -0.074 115.822 115.700 0.328 0.000 2.547 831 S HA 0.148 4.618 4.470 0.001 0.000 0.235 831 S C 1.533 176.260 174.600 0.213 0.000 0.980 831 S CA 0.862 59.246 58.200 0.306 0.000 0.941 831 S CB -0.531 63.080 63.200 0.685 0.000 0.763 831 S HN 1.166 nan 8.310 nan 0.000 0.532 832 G N 0.218 109.110 108.800 0.153 0.000 2.194 832 G HA2 -0.300 3.660 3.960 0.001 0.000 0.236 832 G HA3 -0.300 3.660 3.960 0.001 0.000 0.236 832 G C 0.262 175.114 174.900 -0.080 0.000 0.987 832 G CA 0.089 45.188 45.100 -0.002 0.000 0.635 832 G HN 0.583 nan 8.290 nan 0.000 0.520 833 Y N 1.919 122.273 120.300 0.090 0.000 2.487 833 Y HA 0.233 4.783 4.550 0.001 0.000 0.339 833 Y C 1.683 177.599 175.900 0.027 0.000 1.191 833 Y CA 0.898 59.033 58.100 0.058 0.000 1.279 833 Y CB 0.162 38.658 38.460 0.060 0.000 1.122 833 Y HN 0.544 nan 8.280 nan 0.000 0.500 834 N N -2.006 116.769 118.700 0.126 0.000 2.228 834 N HA -0.024 4.716 4.740 0.001 0.000 0.237 834 N C -0.985 174.577 175.510 0.087 0.000 1.382 834 N CA -0.175 52.931 53.050 0.094 0.000 0.787 834 N CB -0.371 38.163 38.487 0.078 0.000 1.320 834 N HN 0.274 nan 8.380 nan 0.000 0.507 835 Q N 1.295 121.139 119.800 0.074 0.000 2.293 835 Q HA 0.261 4.602 4.340 0.001 0.000 0.251 835 Q C -0.614 175.412 176.000 0.043 0.000 0.930 835 Q CA -0.116 55.728 55.803 0.069 0.000 0.893 835 Q CB 0.718 29.479 28.738 0.038 0.000 1.215 835 Q HN 0.101 nan 8.270 nan 0.000 0.425 836 E N 2.619 122.843 120.200 0.039 0.000 2.987 836 E HA -0.177 4.174 4.350 0.001 0.000 0.173 836 E C -0.596 176.027 176.600 0.038 0.000 1.485 836 E CA 0.381 56.795 56.400 0.022 0.000 0.733 836 E CB -1.245 28.458 29.700 0.004 0.000 1.105 836 E HN 0.886 nan 8.360 nan 0.000 0.390 837 D N -1.716 118.712 120.400 0.047 0.000 2.930 837 D HA -0.240 4.401 4.640 0.001 0.000 0.198 837 D C 0.489 176.830 176.300 0.068 0.000 1.130 837 D CA 1.952 55.987 54.000 0.058 0.000 0.959 837 D CB -0.901 39.931 40.800 0.054 0.000 1.034 837 D HN 0.452 nan 8.370 nan 0.000 0.373 838 S N -0.581 115.157 115.700 0.062 0.000 2.560 838 S HA 0.255 4.725 4.470 0.001 0.000 0.276 838 S C 0.410 175.042 174.600 0.054 0.000 1.350 838 S CA 0.362 58.602 58.200 0.065 0.000 1.024 838 S CB 0.219 63.462 63.200 0.072 0.000 0.864 838 S HN 0.286 nan 8.310 nan 0.000 0.536 839 M N 2.547 122.165 119.600 0.031 0.000 2.484 839 M HA 0.598 5.079 4.480 0.001 0.000 0.289 839 M C -1.447 174.808 176.300 -0.076 0.000 1.206 839 M CA -0.612 54.673 55.300 -0.025 0.000 0.892 839 M CB 1.559 34.120 32.600 -0.065 0.000 1.712 839 M HN 0.276 nan 8.290 nan 0.000 0.462 840 I N 2.737 123.237 120.570 -0.117 0.000 2.315 840 I HA 0.503 4.674 4.170 0.001 0.000 0.291 840 I C -0.484 175.492 176.117 -0.236 0.000 1.006 840 I CA -0.272 60.902 61.300 -0.209 0.000 1.265 840 I CB 1.540 39.394 38.000 -0.243 0.000 1.387 840 I HN 0.765 nan 8.210 nan 0.000 0.475 841 M N 5.074 124.529 119.600 -0.241 0.000 2.777 841 M HA 0.378 4.858 4.480 0.001 0.000 0.307 841 M C -0.564 175.653 176.300 -0.139 0.000 1.228 841 M CA -0.744 54.434 55.300 -0.204 0.000 0.871 841 M CB 2.001 34.467 32.600 -0.223 0.000 1.721 841 M HN 0.410 nan 8.290 nan 0.000 0.487 842 N N 1.305 119.941 118.700 -0.106 0.000 2.817 842 N HA 0.104 4.844 4.740 0.001 0.000 0.234 842 N C 0.285 175.778 175.510 -0.029 0.000 1.066 842 N CA -0.090 52.927 53.050 -0.055 0.000 0.926 842 N CB 0.685 39.134 38.487 -0.063 0.000 1.176 842 N HN 0.510 nan 8.380 nan 0.000 0.506 843 Q N 0.974 120.777 119.800 0.005 0.000 2.133 843 Q HA -0.177 4.163 4.340 0.001 0.000 0.208 843 Q C 1.417 177.417 176.000 -0.000 0.000 0.991 843 Q CA 1.607 57.417 55.803 0.011 0.000 0.867 843 Q CB -0.537 28.226 28.738 0.043 0.000 0.911 843 Q HN 0.601 nan 8.270 nan 0.000 0.417 844 S N -0.482 115.219 115.700 0.002 0.000 2.374 844 S HA -0.196 4.275 4.470 0.001 0.000 0.227 844 S C 1.914 176.499 174.600 -0.026 0.000 1.037 844 S CA 1.763 59.958 58.200 -0.009 0.000 1.024 844 S CB -0.395 62.800 63.200 -0.008 0.000 0.861 844 S HN 0.724 nan 8.310 nan 0.000 0.456 845 S N 1.292 116.969 115.700 -0.039 0.000 2.355 845 S HA -0.010 4.460 4.470 0.001 0.000 0.222 845 S C 1.839 176.403 174.600 -0.060 0.000 1.031 845 S CA 1.134 59.295 58.200 -0.064 0.000 0.993 845 S CB -0.862 62.284 63.200 -0.090 0.000 0.859 845 S HN 0.531 nan 8.310 nan 0.000 0.453 846 I N 2.787 123.331 120.570 -0.043 0.000 2.185 846 I HA -0.276 3.894 4.170 0.001 0.000 0.246 846 I C 2.119 178.227 176.117 -0.014 0.000 1.088 846 I CA 1.918 63.206 61.300 -0.021 0.000 1.347 846 I CB -0.625 37.369 38.000 -0.011 0.000 1.041 846 I HN 0.332 nan 8.210 nan 0.000 0.415 847 D N 0.661 121.053 120.400 -0.013 0.000 2.097 847 D HA -0.157 4.484 4.640 0.001 0.000 0.195 847 D C 2.220 178.516 176.300 -0.006 0.000 0.989 847 D CA 1.205 55.203 54.000 -0.003 0.000 0.827 847 D CB -0.430 40.368 40.800 -0.003 0.000 0.966 847 D HN 0.338 nan 8.370 nan 0.000 0.456 848 R N -0.286 120.195 120.500 -0.033 0.000 2.241 848 R HA 0.067 4.407 4.340 0.001 0.000 0.224 848 R C 1.131 177.371 176.300 -0.099 0.000 1.101 848 R CA 0.962 57.027 56.100 -0.060 0.000 0.995 848 R CB 0.076 30.326 30.300 -0.083 0.000 0.870 848 R HN 0.303 nan 8.270 nan 0.000 0.463 849 G N 0.469 109.229 108.800 -0.067 0.000 2.174 849 G HA2 -0.171 3.790 3.960 0.001 0.000 0.140 849 G HA3 -0.171 3.790 3.960 0.001 0.000 0.140 849 G C -0.418 174.472 174.900 -0.016 0.000 1.031 849 G CA -0.707 44.385 45.100 -0.013 0.000 0.728 849 G HN 0.156 nan 8.290 nan 0.000 0.496 850 L N 1.349 122.534 121.223 -0.064 0.000 2.485 850 L HA 0.694 5.034 4.340 0.001 0.000 0.279 850 L C 0.569 177.478 176.870 0.064 0.000 1.124 850 L CA 0.178 54.947 54.840 -0.118 0.000 0.888 850 L CB -0.863 41.071 42.059 -0.208 0.000 1.217 850 L HN 0.426 nan 8.230 nan 0.000 0.464 851 F N 4.099 124.091 119.950 0.068 0.000 2.494 851 F HA -0.223 4.305 4.527 0.000 0.000 0.419 851 F C 0.453 176.292 175.800 0.065 0.000 1.145 851 F CA -0.001 58.064 58.000 0.109 0.000 1.347 851 F CB -0.494 38.609 39.000 0.172 0.000 1.973 851 F HN 0.582 nan 8.300 nan 0.000 0.778 852 R N 1.397 122.018 120.500 0.201 0.000 2.561 852 R HA 0.587 4.928 4.340 0.001 0.000 0.297 852 R C -0.325 175.913 176.300 -0.103 0.000 0.969 852 R CA -0.403 55.648 56.100 -0.082 0.000 0.879 852 R CB 2.331 32.417 30.300 -0.357 0.000 1.178 852 R HN 0.288 nan 8.270 nan 0.000 0.445 853 S N 3.125 118.745 115.700 -0.132 0.000 2.638 853 S HA 0.527 4.998 4.470 0.001 0.000 0.298 853 S C -0.026 174.587 174.600 0.021 0.000 1.111 853 S CA -0.884 57.319 58.200 0.005 0.000 1.027 853 S CB 1.245 64.471 63.200 0.044 0.000 1.064 853 S HN 0.407 nan 8.310 nan 0.000 0.525 854 L N 2.382 123.729 121.223 0.206 0.000 2.312 854 L HA 0.555 4.895 4.340 0.001 0.000 0.281 854 L C -0.816 176.116 176.870 0.103 0.000 1.070 854 L CA -0.655 54.258 54.840 0.121 0.000 0.805 854 L CB 0.971 43.102 42.059 0.120 0.000 1.174 854 L HN 0.803 nan 8.230 nan 0.000 0.434 855 F N 3.796 123.635 119.950 -0.184 0.000 2.518 855 F HA 0.602 5.130 4.527 0.002 0.000 0.323 855 F C -1.316 174.365 175.800 -0.198 0.000 1.129 855 F CA -0.668 57.276 58.000 -0.092 0.000 0.920 855 F CB 1.159 40.123 39.000 -0.061 0.000 1.160 855 F HN 0.107 nan 8.300 nan 0.000 0.440 856 F N 4.956 124.471 119.950 -0.725 0.000 2.538 856 F HA 0.671 5.198 4.527 -0.000 0.000 0.325 856 F C -0.295 174.982 175.800 -0.872 0.000 1.066 856 F CA -0.870 56.787 58.000 -0.572 0.000 0.946 856 F CB 2.036 40.884 39.000 -0.254 0.000 1.199 856 F HN 0.488 nan 8.300 nan 0.000 0.473 857 R N 1.602 121.924 120.500 -0.297 0.000 2.549 857 R HA 0.391 4.731 4.340 0.001 0.000 0.291 857 R C -1.684 174.583 176.300 -0.056 0.000 1.164 857 R CA -0.306 55.620 56.100 -0.291 0.000 0.973 857 R CB 1.424 31.511 30.300 -0.356 0.000 1.210 857 R HN 0.735 nan 8.270 nan 0.000 0.422 858 S N 3.373 119.038 115.700 -0.058 0.000 2.548 858 S HA 0.303 4.774 4.470 0.001 0.000 0.277 858 S C -1.012 173.590 174.600 0.003 0.000 1.315 858 S CA 0.010 58.237 58.200 0.046 0.000 1.050 858 S CB 0.375 63.585 63.200 0.017 0.000 0.918 858 S HN 0.363 nan 8.310 nan 0.000 0.497 859 Y N 1.978 122.279 120.300 0.002 0.000 2.335 859 Y HA 0.483 5.033 4.550 0.001 0.000 0.338 859 Y C 0.319 176.236 175.900 0.028 0.000 0.977 859 Y CA -0.848 57.262 58.100 0.018 0.000 1.114 859 Y CB 1.109 39.581 38.460 0.019 0.000 1.182 859 Y HN 0.451 nan 8.280 nan 0.000 0.463 860 M N 3.136 122.844 119.600 0.181 0.000 2.528 860 M HA 0.487 4.967 4.480 0.001 0.000 0.318 860 M C -1.558 174.867 176.300 0.207 0.000 1.195 860 M CA -0.063 55.339 55.300 0.170 0.000 1.000 860 M CB 1.759 34.469 32.600 0.184 0.000 1.615 860 M HN 0.817 nan 8.290 nan 0.000 0.469 861 D N 1.114 121.666 120.400 0.254 0.000 2.653 861 D HA 0.438 5.078 4.640 0.001 0.000 0.258 861 D C -1.775 174.790 176.300 0.442 0.000 1.252 861 D CA -0.082 54.099 54.000 0.301 0.000 0.777 861 D CB 1.874 42.848 40.800 0.291 0.000 1.339 861 D HN 0.661 nan 8.370 nan 0.000 0.422 862 Q N 0.746 120.773 119.800 0.379 0.000 2.421 862 Q HA 0.260 4.600 4.340 0.001 0.000 0.280 862 Q C 0.545 176.712 176.000 0.278 0.000 1.085 862 Q CA -0.830 55.208 55.803 0.391 0.000 0.807 862 Q CB 2.558 31.428 28.738 0.221 0.000 1.405 862 Q HN 0.377 nan 8.270 nan 0.000 0.419 863 E N 1.529 121.914 120.200 0.310 0.000 1.998 863 E HA -0.226 4.124 4.350 0.001 0.000 0.221 863 E C 0.347 176.943 176.600 -0.007 0.000 1.018 863 E CA 2.013 58.522 56.400 0.181 0.000 0.891 863 E CB 0.145 29.975 29.700 0.217 0.000 0.807 863 E HN 0.635 nan 8.360 nan 0.000 0.523 864 K N -1.698 118.717 120.400 0.025 0.000 1.994 864 K HA 0.353 4.673 4.320 0.001 0.000 0.249 864 K C -0.316 176.310 176.600 0.043 0.000 0.688 864 K CA -0.823 55.500 56.287 0.060 0.000 0.534 864 K CB 1.009 33.552 32.500 0.071 0.000 1.597 864 K HN -0.109 nan 8.250 nan 0.000 0.464 865 K N -0.613 119.818 120.400 0.052 0.000 2.035 865 K HA -0.267 4.054 4.320 0.001 0.000 0.469 865 K C -0.545 176.096 176.600 0.069 0.000 1.683 865 K CA 1.323 57.666 56.287 0.093 0.000 0.931 865 K CB -1.046 31.533 32.500 0.132 0.000 1.373 865 K HN 0.439 nan 8.250 nan 0.000 0.781 866 Y N -0.681 119.624 120.300 0.009 0.000 2.459 866 Y HA 0.039 4.591 4.550 0.003 0.000 0.349 866 Y C 1.522 177.426 175.900 0.007 0.000 1.266 866 Y CA 1.101 59.206 58.100 0.008 0.000 1.483 866 Y CB 0.777 39.241 38.460 0.007 0.000 1.362 866 Y HN 0.639 nan 8.280 nan 0.000 0.628 867 G N 0.850 109.706 108.800 0.094 0.000 2.508 867 G HA2 0.163 4.123 3.960 0.001 0.000 0.217 867 G HA3 0.163 4.123 3.960 0.001 0.000 0.217 867 G C -0.473 174.307 174.900 -0.201 0.000 2.004 867 G CA -0.261 44.878 45.100 0.064 0.000 0.750 867 G HN 0.359 nan 8.290 nan 0.000 0.730 868 M N 2.448 122.012 119.600 -0.059 0.000 2.006 868 M HA 0.330 4.811 4.480 0.001 0.000 0.314 868 M C 0.174 176.452 176.300 -0.037 0.000 0.926 868 M CA -0.679 54.578 55.300 -0.072 0.000 0.906 868 M CB 0.366 32.948 32.600 -0.029 0.000 1.422 868 M HN 0.844 nan 8.290 nan 0.000 0.397 869 S N 3.403 119.075 115.700 -0.048 0.000 3.578 869 S HA -0.107 4.364 4.470 0.001 0.000 0.449 869 S C -0.387 174.208 174.600 -0.009 0.000 0.853 869 S CA 0.045 58.231 58.200 -0.023 0.000 1.348 869 S CB -1.519 61.673 63.200 -0.013 0.000 0.907 869 S HN 0.716 nan 8.310 nan 0.000 0.627 870 I N 1.727 122.291 120.570 -0.009 0.000 2.605 870 I HA 0.111 4.281 4.170 0.001 0.000 0.252 870 I C 0.343 176.463 176.117 0.005 0.000 1.500 870 I CA 0.119 61.422 61.300 0.005 0.000 0.967 870 I CB 0.679 38.690 38.000 0.017 0.000 1.465 870 I HN 0.708 nan 8.210 nan 0.000 0.495 871 T N 1.095 115.652 114.554 0.005 0.000 2.884 871 T HA 0.473 4.823 4.350 0.001 0.000 0.277 871 T C 0.203 174.901 174.700 -0.003 0.000 0.976 871 T CA -0.741 61.364 62.100 0.008 0.000 0.956 871 T CB 1.696 70.578 68.868 0.023 0.000 1.113 871 T HN 0.237 nan 8.240 nan 0.000 0.554 872 E N 1.327 121.514 120.200 -0.023 0.000 2.055 872 E HA 0.318 4.668 4.350 0.001 0.000 0.274 872 E C -0.482 176.058 176.600 -0.100 0.000 0.949 872 E CA -0.414 55.940 56.400 -0.078 0.000 0.775 872 E CB 0.718 30.340 29.700 -0.130 0.000 1.097 872 E HN 0.416 nan 8.360 nan 0.000 0.404 873 T N 2.673 117.199 114.554 -0.046 0.000 2.899 873 T HA 0.195 4.546 4.350 0.001 0.000 0.295 873 T C -0.110 174.564 174.700 -0.044 0.000 1.033 873 T CA -0.134 61.986 62.100 0.033 0.000 1.084 873 T CB 0.249 69.155 68.868 0.064 0.000 0.979 873 T HN 0.164 nan 8.240 nan 0.000 0.532 874 F N 2.411 122.380 119.950 0.031 0.000 2.404 874 F HA 0.480 5.008 4.527 0.002 0.000 0.345 874 F C 1.085 176.903 175.800 0.030 0.000 1.110 874 F CA -0.589 57.430 58.000 0.032 0.000 1.130 874 F CB 0.844 39.860 39.000 0.027 0.000 1.129 874 F HN 0.682 nan 8.300 nan 0.000 0.500 875 E N 0.428 120.749 120.200 0.201 0.000 2.315 875 E HA 0.302 4.653 4.350 0.001 0.000 0.256 875 E C -1.675 175.007 176.600 0.136 0.000 1.148 875 E CA -1.307 55.175 56.400 0.137 0.000 0.898 875 E CB 1.458 31.211 29.700 0.088 0.000 1.708 875 E HN 0.374 nan 8.360 nan 0.000 0.473 876 K N 1.656 122.121 120.400 0.110 0.000 2.419 876 K HA 0.313 4.633 4.320 0.001 0.000 0.244 876 K C -2.270 174.353 176.600 0.039 0.000 1.045 876 K CA -2.090 54.278 56.287 0.134 0.000 1.004 876 K CB 0.524 33.103 32.500 0.131 0.000 1.376 876 K HN 0.235 nan 8.250 nan 0.000 0.460 877 P HA -0.149 nan 4.420 nan 0.000 0.259 877 P C -0.524 176.649 177.300 -0.212 0.000 1.163 877 P CA 0.501 63.524 63.100 -0.128 0.000 0.760 877 P CB 0.740 32.328 31.700 -0.186 0.000 0.762 878 Q N 2.956 122.683 119.800 -0.121 0.000 3.073 878 Q HA 0.289 4.629 4.340 0.001 0.000 0.219 878 Q C 1.499 177.438 176.000 -0.102 0.000 1.167 878 Q CA -0.496 55.247 55.803 -0.100 0.000 0.334 878 Q CB -0.218 28.493 28.738 -0.046 0.000 5.769 878 Q HN 0.031 nan 8.270 nan 0.000 0.319 879 R N 0.779 121.245 120.500 -0.056 0.000 1.895 879 R HA 0.088 4.429 4.340 0.001 0.000 0.164 879 R C -0.349 175.926 176.300 -0.041 0.000 1.151 879 R CA 1.477 57.552 56.100 -0.042 0.000 1.395 879 R CB -0.940 29.346 30.300 -0.023 0.000 0.735 879 R HN 0.774 nan 8.270 nan 0.000 0.568 880 T N 2.343 116.882 114.554 -0.026 0.000 2.348 880 T HA -0.143 4.207 4.350 0.001 0.000 0.523 880 T C -0.326 174.362 174.700 -0.020 0.000 0.831 880 T CA 0.671 62.759 62.100 -0.020 0.000 2.766 880 T CB -1.624 67.233 68.868 -0.018 0.000 1.696 880 T HN 0.696 nan 8.240 nan 0.000 0.448 881 N N -0.320 118.372 118.700 -0.014 0.000 2.457 881 N HA -0.287 4.453 4.740 0.001 0.000 0.247 881 N C 1.199 176.701 175.510 -0.013 0.000 1.095 881 N CA 1.314 54.358 53.050 -0.010 0.000 0.806 881 N CB -0.879 37.604 38.487 -0.006 0.000 1.071 881 N HN 0.812 nan 8.380 nan 0.000 0.577 882 T N 0.211 114.751 114.554 -0.023 0.000 2.737 882 T HA 0.003 4.354 4.350 0.001 0.000 0.265 882 T C 1.710 176.395 174.700 -0.025 0.000 1.038 882 T CA 1.354 63.435 62.100 -0.032 0.000 1.144 882 T CB 0.058 68.890 68.868 -0.059 0.000 0.866 882 T HN 0.455 nan 8.240 nan 0.000 0.434 883 L N -1.716 119.495 121.223 -0.020 0.000 5.241 883 L HA -0.248 4.092 4.340 0.001 0.000 0.408 883 L C 0.496 177.368 176.870 0.005 0.000 0.834 883 L CA 1.422 56.261 54.840 -0.002 0.000 1.936 883 L CB -1.458 40.602 42.059 0.003 0.000 1.221 883 L HN 0.326 nan 8.230 nan 0.000 0.617 884 R N 0.288 120.787 120.500 -0.001 0.000 2.202 884 R HA 0.498 4.838 4.340 0.001 0.000 0.334 884 R C 0.289 176.588 176.300 -0.003 0.000 1.036 884 R CA -0.001 56.102 56.100 0.006 0.000 0.878 884 R CB 1.739 32.043 30.300 0.006 0.000 1.067 884 R HN 0.251 nan 8.270 nan 0.000 0.457 885 M N 2.348 121.949 119.600 0.002 0.000 2.432 885 M HA 0.237 4.717 4.480 0.001 0.000 0.226 885 M C 0.310 176.623 176.300 0.021 0.000 2.004 885 M CA 0.587 55.868 55.300 -0.032 0.000 1.821 885 M CB 0.651 33.179 32.600 -0.120 0.000 1.340 885 M HN 0.403 nan 8.290 nan 0.000 0.885 886 K N -1.824 118.563 120.400 -0.022 0.000 2.886 886 K HA 0.266 4.587 4.320 0.001 0.000 0.257 886 K C -0.347 176.342 176.600 0.148 0.000 2.209 886 K CA -0.341 55.976 56.287 0.049 0.000 1.251 886 K CB 0.362 32.876 32.500 0.022 0.000 2.489 886 K HN 0.430 nan 8.250 nan 0.000 0.388 887 H N -0.318 118.812 119.070 0.101 0.000 2.508 887 H HA 0.362 4.918 4.556 0.001 0.000 0.358 887 H C -0.337 175.027 175.328 0.060 0.000 1.212 887 H CA 0.760 56.890 56.048 0.137 0.000 1.356 887 H CB 1.416 31.264 29.762 0.142 0.000 1.525 887 H HN 0.706 nan 8.280 nan 0.000 0.578 888 G N 1.658 110.525 108.800 0.112 0.000 2.860 888 G HA2 -0.201 3.760 3.960 0.001 0.000 0.547 888 G HA3 -0.201 3.760 3.960 0.001 0.000 0.547 888 G C -0.230 174.783 174.900 0.188 0.000 1.103 888 G CA -0.358 44.761 45.100 0.031 0.000 1.126 888 G HN 0.669 nan 8.290 nan 0.000 0.490 889 T N 1.284 115.879 114.554 0.067 0.000 2.738 889 T HA 0.381 4.731 4.350 0.001 0.000 0.293 889 T C 1.161 175.865 174.700 0.007 0.000 0.913 889 T CA -0.183 61.983 62.100 0.111 0.000 1.103 889 T CB 1.045 69.945 68.868 0.053 0.000 0.880 889 T HN 0.381 nan 8.240 nan 0.000 0.526 890 Y N 1.634 121.980 120.300 0.077 0.000 2.314 890 Y HA -0.060 4.490 4.550 -0.001 0.000 0.293 890 Y C 2.202 178.121 175.900 0.031 0.000 1.129 890 Y CA 0.801 58.921 58.100 0.034 0.000 1.201 890 Y CB -0.226 38.252 38.460 0.030 0.000 0.999 890 Y HN 0.651 nan 8.280 nan 0.000 0.541 891 D N 0.386 120.887 120.400 0.168 0.000 2.322 891 D HA -0.194 4.447 4.640 0.001 0.000 0.210 891 D C 1.032 177.369 176.300 0.061 0.000 0.983 891 D CA 1.167 55.231 54.000 0.108 0.000 0.902 891 D CB -0.252 40.600 40.800 0.086 0.000 0.905 891 D HN 0.396 nan 8.370 nan 0.000 0.483 892 K N 0.186 120.607 120.400 0.035 0.000 2.504 892 K HA 0.189 4.509 4.320 0.001 0.000 0.199 892 K C 0.320 176.922 176.600 0.003 0.000 1.028 892 K CA 0.060 56.351 56.287 0.008 0.000 1.164 892 K CB 0.444 32.935 32.500 -0.014 0.000 0.877 892 K HN 0.082 nan 8.250 nan 0.000 0.508 893 L N 0.761 122.001 121.223 0.029 0.000 2.329 893 L HA 0.295 4.635 4.340 0.001 0.000 0.279 893 L C -0.106 176.792 176.870 0.046 0.000 1.014 893 L CA -0.757 54.105 54.840 0.037 0.000 0.814 893 L CB 1.650 43.753 42.059 0.073 0.000 1.257 893 L HN 0.044 nan 8.230 nan 0.000 0.424 894 D N 0.443 120.863 120.400 0.033 0.000 2.403 894 D HA -0.013 4.628 4.640 0.001 0.000 0.278 894 D C 0.739 177.062 176.300 0.040 0.000 1.230 894 D CA -0.229 53.788 54.000 0.029 0.000 1.062 894 D CB 0.662 41.470 40.800 0.013 0.000 1.119 894 D HN 0.525 nan 8.370 nan 0.000 0.557 895 D N -0.358 120.060 120.400 0.030 0.000 2.106 895 D HA -0.177 4.463 4.640 0.001 0.000 0.191 895 D C 1.017 177.343 176.300 0.044 0.000 0.997 895 D CA 1.407 55.426 54.000 0.033 0.000 0.834 895 D CB -0.298 40.515 40.800 0.022 0.000 0.956 895 D HN 0.489 nan 8.370 nan 0.000 0.448 896 D N -1.710 118.711 120.400 0.035 0.000 2.363 896 D HA 0.120 4.760 4.640 0.001 0.000 0.226 896 D C 1.413 177.763 176.300 0.082 0.000 1.020 896 D CA 0.941 54.966 54.000 0.042 0.000 0.892 896 D CB -0.276 40.522 40.800 -0.003 0.000 0.900 896 D HN 0.274 nan 8.370 nan 0.000 0.531 897 G N -0.366 108.486 108.800 0.086 0.000 2.136 897 G HA2 -0.234 3.727 3.960 0.001 0.000 0.242 897 G HA3 -0.234 3.727 3.960 0.001 0.000 0.242 897 G C -0.048 174.905 174.900 0.089 0.000 0.989 897 G CA 0.321 45.493 45.100 0.120 0.000 0.682 897 G HN 0.379 nan 8.290 nan 0.000 0.522 898 L N 0.155 121.398 121.223 0.033 0.000 2.313 898 L HA 0.645 4.986 4.340 0.001 0.000 0.268 898 L C 1.350 178.215 176.870 -0.010 0.000 1.010 898 L CA -1.384 53.455 54.840 -0.000 0.000 0.814 898 L CB 1.291 43.325 42.059 -0.041 0.000 1.304 898 L HN 0.007 nan 8.230 nan 0.000 0.441 899 I N 0.641 121.194 120.570 -0.028 0.000 3.138 899 I HA 0.279 4.449 4.170 0.001 0.000 0.288 899 I C 0.538 176.641 176.117 -0.025 0.000 1.148 899 I CA -0.391 60.892 61.300 -0.029 0.000 1.315 899 I CB 0.814 38.787 38.000 -0.045 0.000 1.426 899 I HN 0.598 nan 8.210 nan 0.000 0.615 900 A N 4.089 126.898 122.820 -0.017 0.000 2.301 900 A HA 0.604 4.924 4.320 0.001 0.000 0.312 900 A C -2.441 175.136 177.584 -0.011 0.000 1.182 900 A CA -1.670 50.359 52.037 -0.014 0.000 0.826 900 A CB 0.149 19.145 19.000 -0.008 0.000 1.134 900 A HN 0.393 nan 8.150 nan 0.000 0.501 901 P HA 0.293 nan 4.420 nan 0.000 0.262 901 P C 1.106 178.408 177.300 0.004 0.000 1.182 901 P CA 1.838 64.938 63.100 0.001 0.000 0.761 901 P CB 0.847 32.549 31.700 0.004 0.000 0.795 902 G N 1.417 110.222 108.800 0.008 0.000 2.981 902 G HA2 -0.210 3.750 3.960 0.001 0.000 0.198 902 G HA3 -0.210 3.750 3.960 0.001 0.000 0.198 902 G C -0.042 174.861 174.900 0.005 0.000 1.806 902 G CA -0.249 44.855 45.100 0.008 0.000 1.374 902 G HN 0.527 nan 8.290 nan 0.000 0.555 903 V N 4.133 124.047 119.914 0.001 0.000 2.752 903 V HA 0.263 4.384 4.120 0.001 0.000 0.306 903 V C 1.285 177.377 176.094 -0.003 0.000 1.099 903 V CA 1.201 63.500 62.300 -0.001 0.000 1.240 903 V CB 0.379 32.198 31.823 -0.006 0.000 0.887 903 V HN 0.742 nan 8.190 nan 0.000 0.499 904 R N 4.489 124.989 120.500 0.000 0.000 2.410 904 R HA 0.716 5.056 4.340 0.001 0.000 0.288 904 R C -0.812 175.485 176.300 -0.006 0.000 1.051 904 R CA -0.744 55.356 56.100 0.000 0.000 1.021 904 R CB 0.964 31.268 30.300 0.006 0.000 1.032 904 R HN 0.496 nan 8.270 nan 0.000 0.481 905 V N -1.068 118.841 119.914 -0.008 0.000 2.914 905 V HA 0.867 4.987 4.120 0.001 0.000 0.314 905 V C -0.523 175.568 176.094 -0.006 0.000 1.084 905 V CA -0.832 61.456 62.300 -0.019 0.000 0.963 905 V CB 1.886 33.682 31.823 -0.044 0.000 1.025 905 V HN 1.049 nan 8.190 nan 0.000 0.432 906 S N 0.434 116.128 115.700 -0.009 0.000 2.542 906 S HA 0.862 5.332 4.470 0.001 0.000 0.276 906 S C 0.187 174.788 174.600 0.001 0.000 1.148 906 S CA 0.218 58.420 58.200 0.004 0.000 0.886 906 S CB 0.983 64.188 63.200 0.008 0.000 1.109 906 S HN 2.773 nan 8.310 nan 0.000 0.458 907 G N 2.313 111.120 108.800 0.011 0.000 2.556 907 G HA2 -0.266 3.694 3.960 0.001 0.000 0.283 907 G HA3 -0.266 3.694 3.960 0.001 0.000 0.283 907 G C 0.049 174.951 174.900 0.003 0.000 1.177 907 G CA 0.468 45.575 45.100 0.012 0.000 0.978 907 G HN 0.945 nan 8.290 nan 0.000 0.554 908 E N 2.006 122.205 120.200 -0.001 0.000 2.437 908 E HA 0.242 4.592 4.350 0.001 0.000 0.195 908 E C -0.460 176.109 176.600 -0.052 0.000 1.029 908 E CA 0.290 56.681 56.400 -0.014 0.000 0.948 908 E CB -0.108 29.594 29.700 0.003 0.000 1.082 908 E HN 0.576 nan 8.360 nan 0.000 0.456 909 D N 0.306 120.668 120.400 -0.064 0.000 2.455 909 D HA -0.016 4.625 4.640 0.001 0.000 0.241 909 D C 0.318 176.507 176.300 -0.184 0.000 1.138 909 D CA -0.180 53.752 54.000 -0.112 0.000 0.877 909 D CB 0.770 41.518 40.800 -0.086 0.000 1.187 909 D HN -0.238 nan 8.370 nan 0.000 0.451 910 V N 2.287 122.013 119.914 -0.312 0.000 2.901 910 V HA -0.053 4.067 4.120 0.001 0.000 0.307 910 V C 1.361 177.307 176.094 -0.246 0.000 1.084 910 V CA 0.511 62.592 62.300 -0.365 0.000 1.184 910 V CB 0.439 31.824 31.823 -0.730 0.000 0.941 910 V HN 0.581 nan 8.190 nan 0.000 0.493 911 I N 2.862 123.309 120.570 -0.204 0.000 3.534 911 I HA 0.261 4.431 4.170 0.001 0.000 0.251 911 I C 0.276 176.342 176.117 -0.086 0.000 1.136 911 I CA 0.241 61.442 61.300 -0.166 0.000 1.475 911 I CB 0.345 38.199 38.000 -0.243 0.000 1.526 911 I HN 0.380 nan 8.210 nan 0.000 0.454 912 I N 1.705 122.249 120.570 -0.044 0.000 2.321 912 I HA 0.350 4.520 4.170 0.001 0.000 0.291 912 I C 0.328 176.488 176.117 0.073 0.000 0.998 912 I CA -0.436 60.909 61.300 0.075 0.000 1.227 912 I CB 1.256 39.349 38.000 0.155 0.000 1.368 912 I HN 0.040 nan 8.210 nan 0.000 0.466 913 G N 4.869 113.747 108.800 0.129 0.000 2.425 913 G HA2 0.626 4.586 3.960 0.001 0.000 0.302 913 G HA3 0.626 4.586 3.960 0.001 0.000 0.302 913 G C -0.817 174.136 174.900 0.087 0.000 1.159 913 G CA -0.394 44.782 45.100 0.127 0.000 0.865 913 G HN 0.631 nan 8.290 nan 0.000 0.515 914 K N 0.300 120.697 120.400 -0.004 0.000 2.560 914 K HA 0.283 4.603 4.320 0.001 0.000 0.276 914 K C -1.148 175.386 176.600 -0.110 0.000 1.025 914 K CA -0.525 55.654 56.287 -0.181 0.000 0.974 914 K CB 1.108 33.357 32.500 -0.418 0.000 1.347 914 K HN 0.736 nan 8.250 nan 0.000 0.447 915 T N -0.093 114.404 114.554 -0.094 0.000 2.792 915 T HA 0.308 4.658 4.350 0.001 0.000 0.280 915 T C -0.189 174.477 174.700 -0.056 0.000 0.990 915 T CA -0.735 61.334 62.100 -0.052 0.000 0.960 915 T CB 1.668 70.521 68.868 -0.025 0.000 0.939 915 T HN 0.365 nan 8.240 nan 0.000 0.439 916 T N 4.931 119.459 114.554 -0.043 0.000 2.801 916 T HA 0.449 4.800 4.350 0.001 0.000 0.306 916 T C -2.334 172.357 174.700 -0.016 0.000 1.020 916 T CA -1.995 60.086 62.100 -0.032 0.000 0.948 916 T CB 0.083 68.933 68.868 -0.030 0.000 0.962 916 T HN 0.459 nan 8.240 nan 0.000 0.465 917 P HA 0.185 nan 4.420 nan 0.000 0.271 917 P C -0.595 176.705 177.300 0.001 0.000 1.233 917 P CA -0.388 62.710 63.100 -0.003 0.000 0.795 917 P CB 0.598 32.299 31.700 0.002 0.000 0.936 918 I N -0.164 120.408 120.570 0.002 0.000 2.722 918 I HA 0.361 4.531 4.170 0.001 0.000 0.295 918 I C 0.043 176.164 176.117 0.006 0.000 1.161 918 I CA -0.254 61.049 61.300 0.005 0.000 1.032 918 I CB 2.025 40.026 38.000 0.003 0.000 1.244 918 I HN 0.384 nan 8.210 nan 0.000 0.421 934 K N -0.294 120.099 120.400 -0.012 0.000 2.395 934 K HA 0.718 5.038 4.320 0.001 0.000 0.245 934 K C -0.999 175.592 176.600 -0.015 0.000 1.017 934 K CA -0.946 55.333 56.287 -0.014 0.000 0.852 934 K CB 1.839 34.328 32.500 -0.018 0.000 1.311 934 K HN 0.687 nan 8.250 nan 0.000 0.452 935 R N 1.196 121.687 120.500 -0.015 0.000 2.534 935 R HA 0.151 4.492 4.340 0.001 0.000 0.301 935 R C -1.168 175.123 176.300 -0.015 0.000 0.961 935 R CA -0.593 55.499 56.100 -0.013 0.000 0.871 935 R CB 1.248 31.542 30.300 -0.009 0.000 1.170 935 R HN 0.635 nan 8.270 nan 0.000 0.446 936 D N 2.713 123.107 120.400 -0.009 0.000 2.443 936 D HA 0.082 4.723 4.640 0.001 0.000 0.239 936 D C -0.184 176.116 176.300 0.001 0.000 1.136 936 D CA 0.644 54.648 54.000 0.007 0.000 0.879 936 D CB 1.420 42.241 40.800 0.035 0.000 1.195 936 D HN 0.618 nan 8.370 nan 0.000 0.443 937 A N 2.445 125.260 122.820 -0.008 0.000 2.603 937 A HA 0.215 4.535 4.320 0.001 0.000 0.277 937 A C 0.676 178.247 177.584 -0.020 0.000 1.158 937 A CA -0.358 51.663 52.037 -0.026 0.000 0.962 937 A CB 0.207 19.168 19.000 -0.066 0.000 1.189 937 A HN 0.389 nan 8.150 nan 0.000 0.552 938 S N 0.775 116.478 115.700 0.006 0.000 2.585 938 S HA 0.406 4.877 4.470 0.001 0.000 0.273 938 S C 0.200 174.788 174.600 -0.021 0.000 1.339 938 S CA 0.389 58.588 58.200 -0.003 0.000 1.028 938 S CB 0.528 63.734 63.200 0.010 0.000 0.906 938 S HN 0.393 nan 8.310 nan 0.000 0.528 939 T N 6.027 120.563 114.554 -0.030 0.000 2.821 939 T HA 0.419 4.770 4.350 0.001 0.000 0.307 939 T C -2.414 172.247 174.700 -0.066 0.000 1.034 939 T CA -1.086 61.007 62.100 -0.011 0.000 0.953 939 T CB 1.277 70.162 68.868 0.029 0.000 0.968 939 T HN 0.415 nan 8.240 nan 0.000 0.462 940 P HA 0.356 nan 4.420 nan 0.000 0.277 940 P C -0.027 177.228 177.300 -0.075 0.000 1.271 940 P CA -0.828 62.218 63.100 -0.091 0.000 0.795 940 P CB 0.961 32.624 31.700 -0.063 0.000 1.101 941 L N 0.691 121.849 121.223 -0.108 0.000 2.475 941 L HA 0.223 4.563 4.340 0.001 0.000 0.253 941 L C 0.952 177.873 176.870 0.085 0.000 1.198 941 L CA -0.364 54.441 54.840 -0.059 0.000 0.814 941 L CB 0.285 42.295 42.059 -0.082 0.000 1.134 941 L HN 0.242 nan 8.230 nan 0.000 0.478 942 R N 0.991 121.604 120.500 0.188 0.000 2.401 942 R HA 0.084 4.424 4.340 0.001 0.000 0.299 942 R C 1.317 177.663 176.300 0.076 0.000 1.064 942 R CA 0.481 56.662 56.100 0.135 0.000 1.000 942 R CB 0.446 30.835 30.300 0.149 0.000 0.973 942 R HN 0.874 nan 8.270 nan 0.000 0.438 943 S N 1.478 117.207 115.700 0.048 0.000 2.383 943 S HA -0.239 4.231 4.470 0.001 0.000 0.229 943 S C 2.024 176.643 174.600 0.032 0.000 1.030 943 S CA 1.856 60.077 58.200 0.035 0.000 1.002 943 S CB -0.393 62.826 63.200 0.030 0.000 0.829 943 S HN 0.778 nan 8.310 nan 0.000 0.467 944 T N 1.905 116.475 114.554 0.026 0.000 2.685 944 T HA -0.162 4.189 4.350 0.001 0.000 0.268 944 T C 0.525 175.234 174.700 0.016 0.000 1.034 944 T CA 1.352 63.459 62.100 0.013 0.000 1.149 944 T CB -0.515 68.347 68.868 -0.010 0.000 0.860 944 T HN 0.724 nan 8.240 nan 0.000 0.449 945 E N 1.499 121.724 120.200 0.042 0.000 2.222 945 E HA 0.565 4.915 4.350 0.001 0.000 0.267 945 E C -0.833 175.808 176.600 0.067 0.000 0.963 945 E CA -1.004 55.431 56.400 0.059 0.000 0.837 945 E CB 1.374 31.150 29.700 0.127 0.000 1.183 945 E HN 0.614 nan 8.360 nan 0.000 0.403 946 N N -0.635 118.106 118.700 0.068 0.000 3.265 946 N HA 0.551 5.291 4.740 0.001 0.000 0.235 946 N C -0.730 174.819 175.510 0.064 0.000 1.343 946 N CA -0.482 52.607 53.050 0.066 0.000 0.904 946 N CB 1.317 39.826 38.487 0.037 0.000 1.492 946 N HN 0.656 nan 8.380 nan 0.000 0.504 947 G N -0.483 108.349 108.800 0.053 0.000 2.512 947 G HA2 0.470 4.430 3.960 0.001 0.000 0.186 947 G HA3 0.470 4.430 3.960 0.001 0.000 0.186 947 G C -1.730 173.182 174.900 0.019 0.000 1.189 947 G CA -0.684 44.438 45.100 0.037 0.000 0.994 947 G HN 0.640 nan 8.290 nan 0.000 0.506 948 I N 0.981 121.556 120.570 0.009 0.000 2.412 948 I HA 0.485 4.655 4.170 0.001 0.000 0.296 948 I C 0.254 176.375 176.117 0.007 0.000 0.987 948 I CA -1.122 60.181 61.300 0.005 0.000 1.180 948 I CB 2.045 40.048 38.000 0.005 0.000 1.340 948 I HN 0.165 nan 8.210 nan 0.000 0.455 949 V N 4.748 124.664 119.914 0.003 0.000 2.655 949 V HA -0.025 4.095 4.120 0.001 0.000 0.300 949 V C 0.561 176.671 176.094 0.027 0.000 1.044 949 V CA 0.450 62.753 62.300 0.006 0.000 1.095 949 V CB 0.847 32.663 31.823 -0.012 0.000 0.952 949 V HN 0.895 nan 8.190 nan 0.000 0.485 950 D N 2.288 122.719 120.400 0.053 0.000 3.094 950 D HA 0.128 4.768 4.640 0.001 0.000 0.267 950 D C 0.487 176.828 176.300 0.069 0.000 1.542 950 D CA 0.294 54.346 54.000 0.087 0.000 1.157 950 D CB 0.933 41.839 40.800 0.176 0.000 1.098 950 D HN 0.653 nan 8.370 nan 0.000 0.340 951 Q N -0.331 119.508 119.800 0.065 0.000 2.297 951 Q HA 0.603 4.943 4.340 0.001 0.000 0.269 951 Q C -1.204 174.796 176.000 0.001 0.000 1.051 951 Q CA -0.821 54.997 55.803 0.025 0.000 0.869 951 Q CB 3.275 32.023 28.738 0.018 0.000 1.346 951 Q HN -0.028 nan 8.270 nan 0.000 0.457 952 V N 2.558 122.456 119.914 -0.027 0.000 2.629 952 V HA 0.165 4.285 4.120 0.001 0.000 0.263 952 V C -1.208 174.832 176.094 -0.090 0.000 0.959 952 V CA -0.533 61.734 62.300 -0.054 0.000 0.869 952 V CB 1.143 32.934 31.823 -0.053 0.000 1.060 952 V HN 0.563 nan 8.190 nan 0.000 0.474 953 L N 5.410 126.565 121.223 -0.113 0.000 2.369 953 L HA 0.483 4.823 4.340 0.001 0.000 0.279 953 L C -0.150 176.582 176.870 -0.229 0.000 1.108 953 L CA 0.626 55.377 54.840 -0.149 0.000 0.852 953 L CB 1.107 43.077 42.059 -0.148 0.000 1.169 953 L HN 0.399 nan 8.230 nan 0.000 0.452 954 V N 5.551 125.349 119.914 -0.194 0.000 2.293 954 V HA 0.512 4.633 4.120 0.001 0.000 0.275 954 V C 0.228 176.222 176.094 -0.165 0.000 1.021 954 V CA -0.301 61.863 62.300 -0.227 0.000 0.815 954 V CB 0.743 32.448 31.823 -0.196 0.000 1.025 954 V HN 0.945 nan 8.190 nan 0.000 0.448 955 T N 2.030 116.475 114.554 -0.181 0.000 2.858 955 T HA 0.486 4.837 4.350 0.001 0.000 0.285 955 T C -0.122 174.665 174.700 0.144 0.000 1.052 955 T CA -0.508 61.584 62.100 -0.014 0.000 1.009 955 T CB 2.147 71.045 68.868 0.050 0.000 1.241 955 T HN 0.498 nan 8.240 nan 0.000 0.542 956 T N 1.120 115.788 114.554 0.191 0.000 2.943 956 T HA 0.512 4.863 4.350 0.001 0.000 0.284 956 T C -0.190 174.647 174.700 0.228 0.000 1.015 956 T CA -0.664 61.563 62.100 0.213 0.000 1.042 956 T CB 0.805 69.730 68.868 0.095 0.000 1.055 956 T HN 0.637 nan 8.240 nan 0.000 0.500 957 N N 1.501 120.259 118.700 0.097 0.000 2.476 957 N HA 0.223 4.963 4.740 0.001 0.000 0.275 957 N C 1.204 176.694 175.510 -0.033 0.000 1.190 957 N CA -0.311 52.681 53.050 -0.096 0.000 0.977 957 N CB 0.987 39.341 38.487 -0.222 0.000 1.200 957 N HN 0.683 nan 8.380 nan 0.000 0.515 958 Q N 0.377 120.149 119.800 -0.047 0.000 2.077 958 Q HA -0.231 4.109 4.340 0.001 0.000 0.206 958 Q C 0.342 176.342 176.000 -0.001 0.000 0.989 958 Q CA 2.453 58.251 55.803 -0.008 0.000 0.853 958 Q CB -0.133 28.606 28.738 0.002 0.000 0.907 958 Q HN 0.785 nan 8.270 nan 0.000 0.418 959 D N -1.294 119.101 120.400 -0.009 0.000 2.221 959 D HA -0.049 4.591 4.640 0.001 0.000 0.204 959 D C 0.992 177.293 176.300 0.002 0.000 0.982 959 D CA 1.500 55.500 54.000 -0.001 0.000 0.857 959 D CB -0.085 40.713 40.800 -0.004 0.000 0.934 959 D HN 0.554 nan 8.370 nan 0.000 0.475 960 G N -0.979 107.825 108.800 0.008 0.000 2.148 960 G HA2 -0.194 3.767 3.960 0.001 0.000 0.157 960 G HA3 -0.194 3.767 3.960 0.001 0.000 0.157 960 G C -0.134 174.789 174.900 0.039 0.000 1.012 960 G CA -0.526 44.587 45.100 0.020 0.000 0.677 960 G HN 0.246 nan 8.290 nan 0.000 0.506 961 L N 1.379 122.627 121.223 0.042 0.000 2.361 961 L HA 0.316 4.657 4.340 0.001 0.000 0.278 961 L C 1.152 178.117 176.870 0.158 0.000 1.113 961 L CA -0.397 54.493 54.840 0.083 0.000 0.849 961 L CB 0.996 43.090 42.059 0.058 0.000 1.155 961 L HN 0.069 nan 8.230 nan 0.000 0.452 962 K N 5.493 126.001 120.400 0.180 0.000 2.402 962 K HA 0.182 4.502 4.320 0.001 0.000 0.285 962 K C -0.876 175.905 176.600 0.300 0.000 1.054 962 K CA 0.076 56.475 56.287 0.186 0.000 1.001 962 K CB 0.240 32.806 32.500 0.109 0.000 0.946 962 K HN 0.479 nan 8.250 nan 0.000 0.473 963 F N 2.370 122.327 119.950 0.012 0.000 2.626 963 F HA 0.593 5.119 4.527 -0.001 0.000 0.311 963 F C -1.538 174.241 175.800 -0.035 0.000 1.088 963 F CA -1.211 56.820 58.000 0.052 0.000 0.949 963 F CB 1.361 40.419 39.000 0.097 0.000 1.322 963 F HN 0.131 nan 8.300 nan 0.000 0.461 964 V N 2.090 121.745 119.914 -0.432 0.000 2.876 964 V HA 0.625 4.746 4.120 0.001 0.000 0.312 964 V C -1.686 174.199 176.094 -0.348 0.000 1.085 964 V CA -0.778 61.240 62.300 -0.469 0.000 0.945 964 V CB 2.311 33.956 31.823 -0.298 0.000 1.017 964 V HN 0.934 nan 8.190 nan 0.000 0.428 965 K N 4.684 124.905 120.400 -0.298 0.000 2.507 965 K HA 0.590 4.910 4.320 0.001 0.000 0.253 965 K C -1.462 175.112 176.600 -0.043 0.000 0.969 965 K CA -0.556 55.666 56.287 -0.109 0.000 0.908 965 K CB 2.079 34.523 32.500 -0.094 0.000 1.127 965 K HN 0.620 nan 8.250 nan 0.000 0.437 966 V N 4.346 124.276 119.914 0.028 0.000 2.333 966 V HA 0.307 4.427 4.120 0.001 0.000 0.274 966 V C 0.186 176.348 176.094 0.112 0.000 1.028 966 V CA -0.835 61.483 62.300 0.031 0.000 0.851 966 V CB 0.783 32.602 31.823 -0.007 0.000 1.000 966 V HN 0.703 nan 8.190 nan 0.000 0.456 967 R N 4.330 124.889 120.500 0.098 0.000 2.486 967 R HA 0.829 5.169 4.340 0.001 0.000 0.286 967 R C -1.372 175.015 176.300 0.145 0.000 0.999 967 R CA -0.574 55.617 56.100 0.152 0.000 0.993 967 R CB 1.746 32.126 30.300 0.134 0.000 1.084 967 R HN 0.357 nan 8.270 nan 0.000 0.487 968 V N 2.537 122.547 119.914 0.160 0.000 2.715 968 V HA 0.562 4.682 4.120 0.001 0.000 0.310 968 V C -0.086 176.010 176.094 0.004 0.000 1.054 968 V CA -1.001 61.355 62.300 0.094 0.000 0.928 968 V CB 1.722 33.621 31.823 0.127 0.000 1.007 968 V HN 0.727 nan 8.190 nan 0.000 0.437 969 R N 1.312 121.777 120.500 -0.059 0.000 2.599 969 R HA 0.769 5.110 4.340 0.001 0.000 0.295 969 R C -1.305 174.919 176.300 -0.127 0.000 0.963 969 R CA -0.210 55.737 56.100 -0.255 0.000 0.883 969 R CB 2.243 32.382 30.300 -0.267 0.000 1.171 969 R HN 0.908 nan 8.270 nan 0.000 0.450 970 T N 1.033 115.511 114.554 -0.127 0.000 2.900 970 T HA 0.271 4.621 4.350 0.001 0.000 0.303 970 T C -0.850 173.847 174.700 -0.006 0.000 1.142 970 T CA -0.488 61.611 62.100 -0.001 0.000 1.007 970 T CB 1.987 70.916 68.868 0.101 0.000 1.156 970 T HN 0.365 nan 8.240 nan 0.000 0.490 971 T N 3.786 118.350 114.554 0.017 0.000 2.744 971 T HA 0.340 4.691 4.350 0.001 0.000 0.291 971 T C -0.141 174.533 174.700 -0.043 0.000 0.957 971 T CA -0.783 61.314 62.100 -0.005 0.000 1.002 971 T CB 0.280 69.161 68.868 0.022 0.000 0.919 971 T HN 0.282 nan 8.240 nan 0.000 0.468 972 K N 4.108 124.473 120.400 -0.058 0.000 2.227 972 K HA 0.474 4.794 4.320 0.001 0.000 0.280 972 K C -0.635 175.902 176.600 -0.105 0.000 1.041 972 K CA -0.670 55.572 56.287 -0.074 0.000 0.905 972 K CB 1.317 33.769 32.500 -0.079 0.000 1.068 972 K HN 0.376 nan 8.250 nan 0.000 0.470 973 I N 3.070 123.597 120.570 -0.071 0.000 2.474 973 I HA 0.260 4.431 4.170 0.001 0.000 0.294 973 I C -2.243 173.882 176.117 0.013 0.000 1.005 973 I CA -2.618 58.652 61.300 -0.050 0.000 1.113 973 I CB 1.272 39.242 38.000 -0.050 0.000 1.289 973 I HN 0.373 nan 8.210 nan 0.000 0.436 974 P HA 0.091 nan 4.420 nan 0.000 0.273 974 P C -0.957 176.397 177.300 0.090 0.000 1.319 974 P CA -0.195 62.993 63.100 0.148 0.000 0.885 974 P CB 0.830 32.677 31.700 0.245 0.000 1.015 975 Q N 3.825 123.670 119.800 0.074 0.000 2.215 975 Q HA 0.277 4.618 4.340 0.001 0.000 0.256 975 Q C -0.373 175.663 176.000 0.059 0.000 0.972 975 Q CA -0.975 54.855 55.803 0.045 0.000 0.889 975 Q CB 1.604 30.356 28.738 0.023 0.000 1.281 975 Q HN 0.470 nan 8.270 nan 0.000 0.456 976 I N 2.923 123.515 120.570 0.036 0.000 2.906 976 I HA 0.065 4.235 4.170 0.001 0.000 0.312 976 I C 0.317 176.468 176.117 0.056 0.000 1.169 976 I CA 1.049 62.371 61.300 0.036 0.000 2.267 976 I CB -0.760 37.249 38.000 0.015 0.000 1.624 976 I HN 0.857 nan 8.210 nan 0.000 1.067 977 G N 3.531 112.381 108.800 0.083 0.000 4.260 977 G HA2 -0.071 3.889 3.960 0.001 0.000 0.164 977 G HA3 -0.071 3.889 3.960 0.001 0.000 0.164 977 G C -0.226 174.748 174.900 0.124 0.000 0.955 977 G CA -0.557 44.599 45.100 0.093 0.000 0.797 977 G HN 0.474 nan 8.290 nan 0.000 0.516 978 D N 1.964 122.451 120.400 0.144 0.000 4.723 978 D HA -0.066 4.575 4.640 0.001 0.000 0.184 978 D C 0.726 177.175 176.300 0.249 0.000 1.137 978 D CA 0.999 55.099 54.000 0.167 0.000 0.724 978 D CB 0.518 41.500 40.800 0.304 0.000 1.242 978 D HN 0.327 nan 8.370 nan 0.000 0.678 979 K N 1.270 121.670 120.400 -0.001 0.000 2.414 979 K HA 0.272 4.593 4.320 0.001 0.000 0.272 979 K C -0.490 175.988 176.600 -0.203 0.000 0.993 979 K CA 0.250 56.548 56.287 0.019 0.000 0.964 979 K CB 0.381 32.886 32.500 0.009 0.000 0.925 979 K HN 0.243 nan 8.250 nan 0.000 0.487 980 F N 0.001 119.961 119.950 0.016 0.000 2.662 980 F HA 0.609 5.136 4.527 0.001 0.000 0.312 980 F C -0.529 175.335 175.800 0.107 0.000 1.113 980 F CA -0.647 57.357 58.000 0.006 0.000 0.951 980 F CB 2.189 41.177 39.000 -0.020 0.000 1.344 980 F HN 0.555 nan 8.300 nan 0.000 0.462 981 A N 0.454 123.444 122.820 0.285 0.000 2.612 981 A HA 0.696 5.017 4.320 0.001 0.000 0.293 981 A C -0.752 176.773 177.584 -0.098 0.000 1.075 981 A CA -0.334 51.820 52.037 0.195 0.000 0.680 981 A CB 1.080 20.127 19.000 0.078 0.000 1.279 981 A HN 0.931 nan 8.150 nan 0.000 0.411 982 S N 0.374 115.771 115.700 -0.506 0.000 2.625 982 S HA 0.419 4.889 4.470 0.001 0.000 0.262 982 S C 0.717 175.123 174.600 -0.324 0.000 1.223 982 S CA -0.045 57.702 58.200 -0.755 0.000 0.993 982 S CB 0.381 63.239 63.200 -0.571 0.000 1.051 982 S HN 0.692 nan 8.310 nan 0.000 0.562 983 R N -0.709 119.563 120.500 -0.380 0.000 2.317 983 R HA 0.195 4.536 4.340 0.001 0.000 0.208 983 R C 0.010 176.025 176.300 -0.475 0.000 0.914 983 R CA 0.237 56.112 56.100 -0.374 0.000 1.060 983 R CB -0.109 30.020 30.300 -0.285 0.000 1.015 983 R HN 0.712 nan 8.270 nan 0.000 0.498 984 H N -1.014 118.080 119.070 0.041 0.000 2.539 984 H HA 0.287 4.843 4.556 0.001 0.000 0.293 984 H C 0.318 175.637 175.328 -0.014 0.000 1.156 984 H CA 0.011 56.081 56.048 0.037 0.000 1.012 984 H CB 0.697 30.508 29.762 0.082 0.000 1.600 984 H HN 0.174 nan 8.280 nan 0.000 0.538 985 G N 2.068 110.884 108.800 0.027 0.000 2.354 985 G HA2 -0.273 3.687 3.960 0.001 0.000 0.278 985 G HA3 -0.273 3.687 3.960 0.001 0.000 0.278 985 G C -0.118 174.774 174.900 -0.012 0.000 0.953 985 G CA -0.282 44.831 45.100 0.023 0.000 1.346 985 G HN 0.444 nan 8.290 nan 0.000 0.467 986 Q N 0.438 120.242 119.800 0.007 0.000 2.928 986 Q HA 0.199 4.539 4.340 0.001 0.000 0.353 986 Q C 0.621 176.674 176.000 0.088 0.000 0.870 986 Q CA -0.498 55.313 55.803 0.014 0.000 0.963 986 Q CB 0.810 29.530 28.738 -0.031 0.000 1.419 986 Q HN 0.726 nan 8.270 nan 0.000 0.396 987 K N 0.459 120.910 120.400 0.085 0.000 2.504 987 K HA 0.178 4.499 4.320 0.001 0.000 0.278 987 K C 0.044 176.719 176.600 0.125 0.000 1.025 987 K CA 0.618 56.970 56.287 0.107 0.000 1.093 987 K CB 0.266 32.823 32.500 0.094 0.000 0.873 987 K HN 0.512 nan 8.250 nan 0.000 0.483 988 G N 2.960 111.859 108.800 0.165 0.000 2.513 988 G HA2 0.169 4.129 3.960 0.001 0.000 0.282 988 G HA3 0.169 4.129 3.960 0.001 0.000 0.282 988 G C -0.356 174.663 174.900 0.199 0.000 1.397 988 G CA -0.718 44.478 45.100 0.161 0.000 1.291 988 G HN 0.652 nan 8.290 nan 0.000 0.596 989 T N 0.820 115.466 114.554 0.153 0.000 2.506 989 T HA 0.181 4.531 4.350 0.001 0.000 0.377 989 T C 0.918 175.729 174.700 0.185 0.000 1.058 989 T CA 0.211 62.416 62.100 0.174 0.000 1.051 989 T CB 0.431 69.364 68.868 0.109 0.000 1.032 989 T HN 0.397 nan 8.240 nan 0.000 0.541 990 I N -0.495 120.170 120.570 0.158 0.000 2.822 990 I HA 0.611 4.782 4.170 0.001 0.000 0.312 990 I C 1.367 177.508 176.117 0.039 0.000 1.011 990 I CA -0.647 60.669 61.300 0.026 0.000 1.105 990 I CB 1.906 39.867 38.000 -0.065 0.000 1.291 990 I HN 0.842 nan 8.210 nan 0.000 0.474 991 G N 2.302 111.108 108.800 0.010 0.000 2.613 991 G HA2 0.400 4.361 3.960 0.001 0.000 0.208 991 G HA3 0.400 4.361 3.960 0.001 0.000 0.208 991 G C -0.467 174.459 174.900 0.043 0.000 1.318 991 G CA 0.363 45.502 45.100 0.064 0.000 0.559 991 G HN 0.364 nan 8.290 nan 0.000 1.015 992 I N 0.572 121.106 120.570 -0.060 0.000 2.947 992 I HA 0.547 4.718 4.170 0.001 0.000 0.301 992 I C -1.443 174.551 176.117 -0.206 0.000 1.453 992 I CA -0.375 60.830 61.300 -0.158 0.000 0.984 992 I CB 2.479 40.261 38.000 -0.364 0.000 1.333 992 I HN 0.153 nan 8.210 nan 0.000 0.475 993 T N 2.285 116.784 114.554 -0.091 0.000 2.881 993 T HA 0.599 4.950 4.350 0.001 0.000 0.291 993 T C -1.240 173.628 174.700 0.280 0.000 0.990 993 T CA -0.417 61.664 62.100 -0.030 0.000 0.976 993 T CB 0.355 69.210 68.868 -0.022 0.000 0.970 993 T HN 0.392 nan 8.240 nan 0.000 0.438 994 Y N 1.911 122.200 120.300 -0.018 0.000 2.334 994 Y HA 0.531 5.081 4.550 0.001 0.000 0.328 994 Y C 1.269 177.169 175.900 -0.000 0.000 1.130 994 Y CA -1.701 56.406 58.100 0.012 0.000 1.163 994 Y CB 1.619 40.118 38.460 0.065 0.000 1.207 994 Y HN 0.434 nan 8.280 nan 0.000 0.471 995 R N 1.098 121.690 120.500 0.153 0.000 2.679 995 R HA 0.076 4.416 4.340 0.001 0.000 0.269 995 R C 1.485 177.827 176.300 0.070 0.000 1.076 995 R CA -0.250 55.895 56.100 0.075 0.000 1.160 995 R CB 0.505 30.827 30.300 0.036 0.000 1.054 995 R HN 0.686 nan 8.270 nan 0.000 0.507 996 R N 1.504 122.024 120.500 0.032 0.000 2.261 996 R HA -0.213 4.127 4.340 0.001 0.000 0.236 996 R C 0.376 176.678 176.300 0.004 0.000 1.141 996 R CA 2.119 58.231 56.100 0.020 0.000 1.001 996 R CB 0.054 30.351 30.300 -0.006 0.000 0.866 996 R HN 0.654 nan 8.270 nan 0.000 0.468 997 E N -0.141 120.058 120.200 -0.003 0.000 2.418 997 E HA -0.083 4.268 4.350 0.001 0.000 0.197 997 E C 0.549 177.153 176.600 0.008 0.000 1.026 997 E CA 0.955 57.341 56.400 -0.024 0.000 0.862 997 E CB 0.236 29.924 29.700 -0.020 0.000 0.799 997 E HN 0.428 nan 8.360 nan 0.000 0.518 998 D N -0.551 119.878 120.400 0.047 0.000 2.489 998 D HA 0.130 4.770 4.640 0.001 0.000 0.231 998 D C 0.161 176.537 176.300 0.128 0.000 1.114 998 D CA -0.096 53.917 54.000 0.022 0.000 0.842 998 D CB 0.306 41.115 40.800 0.015 0.000 1.133 998 D HN 0.148 nan 8.370 nan 0.000 0.506 999 M N 2.498 122.195 119.600 0.163 0.000 2.242 999 M HA 0.228 4.708 4.480 0.001 0.000 0.344 999 M C -2.350 173.993 176.300 0.071 0.000 1.140 999 M CA -1.571 53.793 55.300 0.106 0.000 1.160 999 M CB 1.146 33.790 32.600 0.073 0.000 1.491 999 M HN -0.295 nan 8.290 nan 0.000 0.459 1000 P HA 0.050 nan 4.420 nan 0.000 0.266 1000 P C -1.475 175.870 177.300 0.075 0.000 1.193 1000 P CA 0.343 63.402 63.100 -0.067 0.000 0.770 1000 P CB -0.107 31.408 31.700 -0.308 0.000 0.836 1001 F N -1.480 118.444 119.950 -0.043 0.000 2.581 1001 F HA 0.568 5.096 4.527 0.001 0.000 0.311 1001 F C -0.139 175.617 175.800 -0.074 0.000 1.113 1001 F CA -1.137 56.817 58.000 -0.077 0.000 0.935 1001 F CB 1.075 40.051 39.000 -0.041 0.000 1.232 1001 F HN 0.245 nan 8.300 nan 0.000 0.445 1002 T N 1.320 115.799 114.554 -0.126 0.000 2.766 1002 T HA 0.458 4.808 4.350 0.001 0.000 0.295 1002 T C 1.351 176.076 174.700 0.042 0.000 1.024 1002 T CA 0.230 62.237 62.100 -0.155 0.000 1.018 1002 T CB 1.087 69.795 68.868 -0.267 0.000 1.002 1002 T HN 1.060 nan 8.240 nan 0.000 0.532 1003 A N 1.535 124.397 122.820 0.070 0.000 2.019 1003 A HA -0.026 4.294 4.320 0.001 0.000 0.219 1003 A C 2.084 179.688 177.584 0.033 0.000 1.164 1003 A CA 1.730 53.789 52.037 0.036 0.000 0.644 1003 A CB -0.683 18.397 19.000 0.134 0.000 0.805 1003 A HN 0.964 nan 8.150 nan 0.000 0.449 1004 E N -1.481 118.751 120.200 0.054 0.000 2.347 1004 E HA 0.175 4.525 4.350 0.001 0.000 0.196 1004 E C 0.998 177.630 176.600 0.053 0.000 1.008 1004 E CA 0.309 56.739 56.400 0.050 0.000 0.852 1004 E CB -0.161 29.584 29.700 0.074 0.000 0.783 1004 E HN 0.764 nan 8.360 nan 0.000 0.505 1005 G N 1.530 110.391 108.800 0.102 0.000 2.255 1005 G HA2 -0.245 3.716 3.960 0.001 0.000 0.239 1005 G HA3 -0.245 3.716 3.960 0.001 0.000 0.239 1005 G C -0.010 174.937 174.900 0.079 0.000 1.083 1005 G CA -0.101 45.058 45.100 0.098 0.000 0.826 1005 G HN 0.116 nan 8.290 nan 0.000 0.493 1006 I N -1.054 119.579 120.570 0.106 0.000 2.918 1006 I HA 0.761 4.932 4.170 0.001 0.000 0.316 1006 I C 0.463 176.689 176.117 0.182 0.000 1.001 1006 I CA -1.279 60.104 61.300 0.137 0.000 1.142 1006 I CB 1.916 40.041 38.000 0.207 0.000 1.356 1006 I HN -0.002 nan 8.210 nan 0.000 0.524 1007 V N 3.766 123.825 119.914 0.242 0.000 2.888 1007 V HA 0.486 4.606 4.120 0.001 0.000 0.309 1007 V C -2.505 173.749 176.094 0.267 0.000 1.114 1007 V CA -1.597 60.846 62.300 0.238 0.000 0.940 1007 V CB 2.993 34.882 31.823 0.110 0.000 1.021 1007 V HN 0.575 nan 8.190 nan 0.000 0.426 1008 P HA 0.349 nan 4.420 nan 0.000 0.290 1008 P C -0.287 176.977 177.300 -0.060 0.000 1.276 1008 P CA -0.144 62.991 63.100 0.058 0.000 0.808 1008 P CB 1.195 32.928 31.700 0.054 0.000 0.966 1009 D N 1.660 121.978 120.400 -0.135 0.000 2.264 1009 D HA -0.003 4.637 4.640 0.001 0.000 0.208 1009 D C 0.337 176.523 176.300 -0.190 0.000 0.966 1009 D CA 1.371 55.278 54.000 -0.155 0.000 0.864 1009 D CB 0.281 40.963 40.800 -0.197 0.000 0.933 1009 D HN 0.259 nan 8.370 nan 0.000 0.499 1010 L N 0.766 121.859 121.223 -0.216 0.000 2.516 1010 L HA 0.312 4.652 4.340 0.001 0.000 0.267 1010 L C -0.881 175.876 176.870 -0.189 0.000 0.957 1010 L CA -0.276 54.418 54.840 -0.243 0.000 0.860 1010 L CB 2.658 44.495 42.059 -0.369 0.000 1.265 1010 L HN -0.234 nan 8.230 nan 0.000 0.403 1011 I N 5.123 125.602 120.570 -0.151 0.000 2.352 1011 I HA 0.410 4.580 4.170 0.001 0.000 0.290 1011 I C -0.210 175.867 176.117 -0.067 0.000 1.036 1011 I CA -0.417 60.831 61.300 -0.086 0.000 1.336 1011 I CB 0.703 38.654 38.000 -0.081 0.000 1.407 1011 I HN 0.414 nan 8.210 nan 0.000 0.497 1012 I N 3.563 124.127 120.570 -0.010 0.000 3.206 1012 I HA 0.592 4.762 4.170 0.001 0.000 0.313 1012 I C -0.606 175.544 176.117 0.055 0.000 1.103 1012 I CA -0.854 60.463 61.300 0.028 0.000 0.985 1012 I CB 1.501 39.534 38.000 0.054 0.000 1.240 1012 I HN 0.406 nan 8.210 nan 0.000 0.464 1013 N N 2.157 120.892 118.700 0.058 0.000 2.354 1013 N HA 0.430 5.170 4.740 0.001 0.000 0.287 1013 N C -2.137 173.386 175.510 0.021 0.000 1.016 1013 N CA -2.154 50.930 53.050 0.056 0.000 0.871 1013 N CB 2.511 41.058 38.487 0.099 0.000 1.299 1013 N HN 0.415 nan 8.380 nan 0.000 0.482 1014 P HA -0.211 nan 4.420 nan 0.000 0.218 1014 P C 0.882 178.114 177.300 -0.113 0.000 1.150 1014 P CA 1.391 64.430 63.100 -0.102 0.000 0.841 1014 P CB 0.107 31.705 31.700 -0.170 0.000 0.784 1015 H N 0.417 119.493 119.070 0.009 0.000 2.426 1015 H HA -0.034 4.522 4.556 0.001 0.000 0.298 1015 H C 1.253 176.573 175.328 -0.013 0.000 1.107 1015 H CA 1.342 57.390 56.048 -0.000 0.000 1.298 1015 H CB -0.790 28.976 29.762 0.006 0.000 1.377 1015 H HN 0.156 nan 8.280 nan 0.000 0.519 1016 A N 0.881 123.760 122.820 0.098 0.000 3.135 1016 A HA 0.277 4.597 4.320 0.001 0.000 0.253 1016 A C 1.092 178.658 177.584 -0.031 0.000 1.638 1016 A CA 0.005 52.059 52.037 0.027 0.000 1.295 1016 A CB -0.560 18.450 19.000 0.017 0.000 1.106 1016 A HN 0.227 nan 8.150 nan 0.000 0.648 1017 I N -0.696 119.862 120.570 -0.020 0.000 4.147 1017 I HA 0.090 4.260 4.170 0.001 0.000 0.278 1017 I C -1.269 174.823 176.117 -0.040 0.000 1.133 1017 I CA 0.321 61.586 61.300 -0.057 0.000 1.317 1017 I CB -0.676 37.278 38.000 -0.077 0.000 1.688 1017 I HN 0.177 nan 8.210 nan 0.000 0.432 1018 P HA 0.064 nan 4.420 nan 0.000 0.234 1018 P C 1.522 178.817 177.300 -0.008 0.000 1.175 1018 P CA 1.091 64.183 63.100 -0.013 0.000 0.801 1018 P CB 0.049 31.749 31.700 0.000 0.000 0.891 1019 S N -0.104 115.595 115.700 -0.001 0.000 2.414 1019 S HA 0.013 4.483 4.470 0.001 0.000 0.227 1019 S C 1.957 176.543 174.600 -0.023 0.000 1.022 1019 S CA 0.225 58.421 58.200 -0.006 0.000 0.958 1019 S CB -0.718 62.482 63.200 0.001 0.000 0.797 1019 S HN -0.014 nan 8.310 nan 0.000 0.493 1020 R N 0.624 121.102 120.500 -0.037 0.000 2.193 1020 R HA 0.271 4.612 4.340 0.001 0.000 0.213 1020 R C 0.370 176.630 176.300 -0.066 0.000 1.055 1020 R CA 0.379 56.440 56.100 -0.066 0.000 0.995 1020 R CB -0.790 29.462 30.300 -0.080 0.000 0.893 1020 R HN 0.465 nan 8.270 nan 0.000 0.459 1021 M N 1.481 121.052 119.600 -0.049 0.000 2.460 1021 M HA -0.171 4.310 4.480 0.001 0.000 0.182 1021 M C -0.180 176.093 176.300 -0.046 0.000 0.903 1021 M CA 0.893 56.169 55.300 -0.041 0.000 0.555 1021 M CB -1.245 31.340 32.600 -0.026 0.000 1.106 1021 M HN 0.032 nan 8.290 nan 0.000 0.867 1022 T N -0.942 113.574 114.554 -0.063 0.000 3.042 1022 T HA 0.551 4.902 4.350 0.001 0.000 0.356 1022 T C 0.706 175.347 174.700 -0.099 0.000 1.233 1022 T CA -0.670 61.388 62.100 -0.071 0.000 1.038 1022 T CB 0.491 69.322 68.868 -0.062 0.000 1.089 1022 T HN 0.245 nan 8.240 nan 0.000 0.531 1023 V N 4.138 123.997 119.914 -0.092 0.000 2.825 1023 V HA 0.159 4.279 4.120 0.001 0.000 0.246 1023 V C 2.974 178.954 176.094 -0.190 0.000 1.068 1023 V CA 1.177 63.414 62.300 -0.106 0.000 1.088 1023 V CB -1.002 30.796 31.823 -0.042 0.000 0.733 1023 V HN 0.886 nan 8.190 nan 0.000 0.468 1024 A N -0.195 122.485 122.820 -0.234 0.000 2.032 1024 A HA -0.307 4.013 4.320 0.001 0.000 0.221 1024 A C 2.209 179.491 177.584 -0.504 0.000 1.165 1024 A CA 2.185 53.990 52.037 -0.386 0.000 0.645 1024 A CB -0.797 18.040 19.000 -0.272 0.000 0.807 1024 A HN 0.700 nan 8.150 nan 0.000 0.453 1025 H N 0.319 119.028 119.070 -0.602 0.000 2.343 1025 H HA 0.042 4.599 4.556 0.001 0.000 0.303 1025 H C 1.740 177.013 175.328 -0.091 0.000 1.068 1025 H CA 1.626 57.519 56.048 -0.258 0.000 1.359 1025 H CB -0.283 29.453 29.762 -0.043 0.000 1.402 1025 H HN 0.433 nan 8.280 nan 0.000 0.515 1026 L N 0.444 121.650 121.223 -0.029 0.000 2.349 1026 L HA -0.137 4.203 4.340 0.001 0.000 0.220 1026 L C 2.480 179.310 176.870 -0.066 0.000 1.130 1026 L CA 0.627 55.345 54.840 -0.203 0.000 0.791 1026 L CB -0.393 41.429 42.059 -0.394 0.000 0.918 1026 L HN 0.225 nan 8.230 nan 0.000 0.444 1027 I N -0.379 120.080 120.570 -0.184 0.000 2.185 1027 I HA -0.194 3.977 4.170 0.001 0.000 0.235 1027 I C 2.748 178.795 176.117 -0.118 0.000 1.069 1027 I CA 1.032 62.169 61.300 -0.273 0.000 1.354 1027 I CB -0.375 37.207 38.000 -0.697 0.000 1.093 1027 I HN 0.251 nan 8.210 nan 0.000 0.411 1028 E N 0.645 120.813 120.200 -0.055 0.000 2.130 1028 E HA -0.329 4.021 4.350 0.001 0.000 0.196 1028 E C 2.293 178.911 176.600 0.031 0.000 0.998 1028 E CA 1.994 58.452 56.400 0.095 0.000 0.806 1028 E CB -0.104 29.714 29.700 0.197 0.000 0.738 1028 E HN 0.613 nan 8.360 nan 0.000 0.459 1029 C N -0.014 119.289 119.300 0.006 0.000 2.475 1029 C HA 0.016 4.476 4.460 0.001 0.000 0.279 1029 C C 2.667 177.627 174.990 -0.050 0.000 1.322 1029 C CA 0.346 59.368 59.018 0.007 0.000 1.734 1029 C CB -1.088 26.702 27.740 0.082 0.000 2.005 1029 C HN 0.527 nan 8.230 nan 0.000 0.495 1030 L N 1.070 122.289 121.223 -0.006 0.000 2.017 1030 L HA 0.003 4.344 4.340 0.001 0.000 0.208 1030 L C 2.326 179.130 176.870 -0.111 0.000 1.073 1030 L CA 2.034 56.780 54.840 -0.156 0.000 0.745 1030 L CB -0.972 41.056 42.059 -0.052 0.000 0.894 1030 L HN 0.414 nan 8.230 nan 0.000 0.432 1031 L N -1.142 120.051 121.223 -0.049 0.000 2.129 1031 L HA -0.194 4.146 4.340 0.001 0.000 0.212 1031 L C 2.190 179.041 176.870 -0.032 0.000 1.087 1031 L CA 2.109 56.940 54.840 -0.014 0.000 0.757 1031 L CB -0.610 41.501 42.059 0.087 0.000 0.896 1031 L HN 0.304 nan 8.230 nan 0.000 0.434 1032 S N -1.423 114.251 115.700 -0.044 0.000 2.524 1032 S HA -0.027 4.443 4.470 0.001 0.000 0.216 1032 S C 1.762 176.315 174.600 -0.079 0.000 0.987 1032 S CA 0.373 58.542 58.200 -0.052 0.000 0.909 1032 S CB -0.003 63.175 63.200 -0.035 0.000 0.781 1032 S HN 0.415 nan 8.310 nan 0.000 0.521 1033 K N 1.680 122.009 120.400 -0.119 0.000 2.063 1033 K HA -0.113 4.207 4.320 0.001 0.000 0.208 1033 K C 1.494 178.044 176.600 -0.085 0.000 1.048 1033 K CA 1.624 57.822 56.287 -0.149 0.000 0.928 1033 K CB -0.097 32.260 32.500 -0.238 0.000 0.713 1033 K HN 0.310 nan 8.250 nan 0.000 0.442 1034 V N -0.862 119.009 119.914 -0.072 0.000 3.235 1034 V HA 0.108 4.228 4.120 0.001 0.000 0.259 1034 V C 2.033 178.096 176.094 -0.051 0.000 1.133 1034 V CA 0.896 63.160 62.300 -0.060 0.000 1.128 1034 V CB -0.211 31.546 31.823 -0.111 0.000 0.757 1034 V HN 0.313 nan 8.190 nan 0.000 0.469 1035 A N 1.526 124.318 122.820 -0.047 0.000 1.825 1035 A HA 0.011 4.332 4.320 0.001 0.000 0.214 1035 A C 2.491 180.063 177.584 -0.020 0.000 1.206 1035 A CA 2.109 54.121 52.037 -0.041 0.000 0.609 1035 A CB -1.248 17.722 19.000 -0.049 0.000 0.851 1035 A HN 0.651 nan 8.150 nan 0.000 0.445 1036 A N -0.624 122.182 122.820 -0.024 0.000 1.997 1036 A HA -0.149 4.172 4.320 0.001 0.000 0.221 1036 A C 2.171 179.771 177.584 0.027 0.000 1.172 1036 A CA 1.853 53.883 52.037 -0.011 0.000 0.645 1036 A CB -0.595 18.388 19.000 -0.029 0.000 0.813 1036 A HN 0.491 nan 8.150 nan 0.000 0.454 1037 L N -0.658 120.607 121.223 0.071 0.000 2.071 1037 L HA -0.063 4.278 4.340 0.001 0.000 0.201 1037 L C 2.580 179.595 176.870 0.243 0.000 1.076 1037 L CA 1.742 56.688 54.840 0.176 0.000 0.755 1037 L CB -0.665 41.595 42.059 0.335 0.000 0.915 1037 L HN 0.545 nan 8.230 nan 0.000 0.445 1038 S N -0.942 114.888 115.700 0.215 0.000 2.575 1038 S HA 0.204 4.674 4.470 0.001 0.000 0.215 1038 S C 1.322 175.952 174.600 0.050 0.000 0.966 1038 S CA 0.312 58.599 58.200 0.144 0.000 0.911 1038 S CB 0.519 63.695 63.200 -0.040 0.000 0.780 1038 S HN 0.554 nan 8.310 nan 0.000 0.514 1039 G N 1.665 110.484 108.800 0.031 0.000 2.198 1039 G HA2 -0.239 3.722 3.960 0.001 0.000 0.257 1039 G HA3 -0.239 3.722 3.960 0.001 0.000 0.257 1039 G C -0.087 174.801 174.900 -0.019 0.000 1.042 1039 G CA 0.042 45.144 45.100 0.003 0.000 0.791 1039 G HN 0.499 nan 8.290 nan 0.000 0.502 1040 N N -0.578 118.104 118.700 -0.030 0.000 2.671 1040 N HA 0.500 5.241 4.740 0.001 0.000 0.303 1040 N C -0.145 175.330 175.510 -0.058 0.000 1.277 1040 N CA -0.635 52.388 53.050 -0.046 0.000 0.933 1040 N CB 1.089 39.543 38.487 -0.056 0.000 1.190 1040 N HN 0.207 nan 8.380 nan 0.000 0.600 1041 E N -0.567 119.593 120.200 -0.066 0.000 2.227 1041 E HA 0.342 4.693 4.350 0.001 0.000 0.282 1041 E C -0.145 176.406 176.600 -0.081 0.000 1.015 1041 E CA -0.427 55.925 56.400 -0.081 0.000 0.823 1041 E CB 0.747 30.391 29.700 -0.094 0.000 1.081 1041 E HN 0.612 nan 8.360 nan 0.000 0.396 1042 G N 4.212 112.957 108.800 -0.092 0.000 3.213 1042 G HA2 -0.021 3.939 3.960 0.001 0.000 0.263 1042 G HA3 -0.021 3.939 3.960 0.001 0.000 0.263 1042 G C -0.163 174.664 174.900 -0.122 0.000 0.829 1042 G CA -0.417 44.633 45.100 -0.084 0.000 1.983 1042 G HN 0.503 nan 8.290 nan 0.000 0.616 1043 D N 1.890 122.217 120.400 -0.122 0.000 2.597 1043 D HA 0.245 4.886 4.640 0.001 0.000 0.228 1043 D C 1.432 177.557 176.300 -0.292 0.000 1.120 1043 D CA -0.079 53.810 54.000 -0.185 0.000 1.083 1043 D CB 0.215 40.931 40.800 -0.139 0.000 1.116 1043 D HN 0.255 nan 8.370 nan 0.000 0.487 1044 A N 1.921 124.474 122.820 -0.445 0.000 2.370 1044 A HA 0.124 4.444 4.320 0.001 0.000 0.238 1044 A C 1.028 178.134 177.584 -0.797 0.000 1.289 1044 A CA -0.383 51.041 52.037 -1.022 0.000 0.885 1044 A CB -0.069 18.486 19.000 -0.742 0.000 0.961 1044 A HN 0.302 nan 8.150 nan 0.000 0.499 1045 S N 2.491 117.912 115.700 -0.466 0.000 2.673 1045 S HA 0.078 4.549 4.470 0.001 0.000 0.308 1045 S C -1.289 173.159 174.600 -0.254 0.000 1.246 1045 S CA -0.435 57.583 58.200 -0.303 0.000 1.077 1045 S CB 0.482 63.533 63.200 -0.248 0.000 0.814 1045 S HN 0.342 nan 8.310 nan 0.000 0.503 1046 P HA -0.177 nan 4.420 nan 0.000 0.207 1046 P C 0.451 177.630 177.300 -0.203 0.000 0.954 1046 P CA 1.450 64.308 63.100 -0.404 0.000 0.990 1046 P CB 0.011 31.217 31.700 -0.824 0.000 0.721 1047 F N -0.758 119.346 119.950 0.256 0.000 2.913 1047 F HA 0.135 4.663 4.527 0.001 0.000 0.306 1047 F C 1.357 177.282 175.800 0.208 0.000 1.205 1047 F CA -0.570 57.552 58.000 0.204 0.000 1.359 1047 F CB -1.245 37.834 39.000 0.132 0.000 1.260 1047 F HN -0.036 nan 8.300 nan 0.000 0.545 1048 T N -4.417 110.333 114.554 0.327 0.000 2.862 1048 T HA 0.233 4.584 4.350 0.001 0.000 0.276 1048 T C 0.128 174.979 174.700 0.252 0.000 0.974 1048 T CA -0.833 61.429 62.100 0.271 0.000 0.966 1048 T CB 1.441 70.429 68.868 0.199 0.000 1.072 1048 T HN -0.066 nan 8.240 nan 0.000 0.538 1049 D N 0.470 120.990 120.400 0.201 0.000 3.110 1049 D HA 0.412 5.053 4.640 0.001 0.000 0.254 1049 D C -0.742 175.654 176.300 0.159 0.000 1.283 1049 D CA -0.073 54.031 54.000 0.173 0.000 0.944 1049 D CB -0.680 40.201 40.800 0.136 0.000 1.066 1049 D HN 0.452 nan 8.370 nan 0.000 0.496 1050 I N 0.756 121.446 120.570 0.199 0.000 2.377 1050 I HA 0.285 4.455 4.170 0.001 0.000 0.293 1050 I C 0.286 176.504 176.117 0.168 0.000 0.987 1050 I CA -0.193 61.215 61.300 0.179 0.000 1.185 1050 I CB 1.356 39.486 38.000 0.215 0.000 1.341 1050 I HN 0.023 nan 8.210 nan 0.000 0.455 1051 T N 2.475 117.084 114.554 0.092 0.000 2.907 1051 T HA 0.362 4.713 4.350 0.001 0.000 0.290 1051 T C 0.575 175.268 174.700 -0.011 0.000 1.066 1051 T CA -0.718 61.413 62.100 0.052 0.000 1.012 1051 T CB 1.816 70.724 68.868 0.066 0.000 1.184 1051 T HN 0.165 nan 8.240 nan 0.000 0.522 1052 V N 0.950 120.844 119.914 -0.034 0.000 2.488 1052 V HA -0.061 4.059 4.120 0.001 0.000 0.246 1052 V C 2.646 178.723 176.094 -0.027 0.000 1.046 1052 V CA 1.543 63.800 62.300 -0.072 0.000 1.053 1052 V CB -0.647 31.124 31.823 -0.086 0.000 0.679 1052 V HN 0.856 nan 8.190 nan 0.000 0.458 1053 E N 0.536 120.737 120.200 0.001 0.000 2.023 1053 E HA -0.179 4.171 4.350 0.001 0.000 0.196 1053 E C 2.106 178.714 176.600 0.015 0.000 1.003 1053 E CA 1.454 57.864 56.400 0.015 0.000 0.809 1053 E CB -1.127 28.589 29.700 0.026 0.000 0.755 1053 E HN 0.562 nan 8.360 nan 0.000 0.449 1054 G N 3.145 111.957 108.800 0.019 0.000 3.025 1054 G HA2 -0.331 3.629 3.960 0.001 0.000 0.219 1054 G HA3 -0.331 3.629 3.960 0.001 0.000 0.219 1054 G C 1.495 176.396 174.900 0.001 0.000 1.229 1054 G CA 1.804 46.914 45.100 0.016 0.000 0.764 1054 G HN 0.176 nan 8.290 nan 0.000 0.857 1055 I N 0.836 121.401 120.570 -0.008 0.000 2.661 1055 I HA -0.318 3.852 4.170 0.001 0.000 0.221 1055 I C 2.959 179.061 176.117 -0.024 0.000 0.909 1055 I CA 2.530 63.815 61.300 -0.025 0.000 1.212 1055 I CB -1.712 36.259 38.000 -0.047 0.000 0.929 1055 I HN 0.338 nan 8.210 nan 0.000 0.375 1056 S N 0.164 115.854 115.700 -0.018 0.000 2.365 1056 S HA -0.273 4.198 4.470 0.001 0.000 0.221 1056 S C 1.928 176.537 174.600 0.016 0.000 1.037 1056 S CA 1.919 60.117 58.200 -0.003 0.000 1.060 1056 S CB -0.440 62.762 63.200 0.004 0.000 0.974 1056 S HN 0.363 nan 8.310 nan 0.000 0.427 1057 K N 0.781 121.191 120.400 0.018 0.000 2.108 1057 K HA -0.249 4.071 4.320 0.001 0.000 0.219 1057 K C 1.950 178.564 176.600 0.023 0.000 1.054 1057 K CA 1.895 58.196 56.287 0.023 0.000 0.945 1057 K CB -0.648 31.863 32.500 0.019 0.000 0.728 1057 K HN 0.325 nan 8.250 nan 0.000 0.462 1058 L N 0.080 121.305 121.223 0.003 0.000 2.013 1058 L HA -0.248 4.092 4.340 0.001 0.000 0.212 1058 L C 2.510 179.389 176.870 0.014 0.000 1.073 1058 L CA 0.965 55.790 54.840 -0.024 0.000 0.753 1058 L CB -0.650 41.359 42.059 -0.083 0.000 0.890 1058 L HN 0.217 nan 8.230 nan 0.000 0.432 1059 L N 0.113 121.357 121.223 0.035 0.000 2.005 1059 L HA -0.178 4.162 4.340 0.001 0.000 0.207 1059 L C 2.806 179.786 176.870 0.183 0.000 1.072 1059 L CA 1.575 56.487 54.840 0.119 0.000 0.744 1059 L CB -0.546 41.542 42.059 0.048 0.000 0.895 1059 L HN 0.089 nan 8.230 nan 0.000 0.433 1060 R N 0.601 121.170 120.500 0.116 0.000 2.153 1060 R HA -0.237 4.103 4.340 0.001 0.000 0.252 1060 R C 2.112 178.469 176.300 0.094 0.000 1.158 1060 R CA 2.174 58.334 56.100 0.100 0.000 0.975 1060 R CB -0.555 29.785 30.300 0.067 0.000 0.871 1060 R HN 0.762 nan 8.270 nan 0.000 0.450 1061 E N -2.721 117.539 120.200 0.100 0.000 2.435 1061 E HA -0.141 4.209 4.350 0.001 0.000 0.195 1061 E C 1.098 177.793 176.600 0.159 0.000 1.029 1061 E CA 0.841 57.300 56.400 0.098 0.000 0.865 1061 E CB -0.209 29.539 29.700 0.079 0.000 0.833 1061 E HN 0.423 nan 8.360 nan 0.000 0.510 1062 H N -0.082 119.027 119.070 0.065 0.000 2.553 1062 H HA 0.230 4.786 4.556 0.001 0.000 0.265 1062 H C 1.018 176.423 175.328 0.128 0.000 0.964 1062 H CA 0.871 56.974 56.048 0.092 0.000 1.156 1062 H CB 0.947 30.771 29.762 0.103 0.000 1.411 1062 H HN 0.350 nan 8.280 nan 0.000 0.558 1063 G N -1.810 107.055 108.800 0.108 0.000 2.370 1063 G HA2 -0.148 3.812 3.960 0.001 0.000 0.174 1063 G HA3 -0.148 3.812 3.960 0.001 0.000 0.174 1063 G C -0.612 174.032 174.900 -0.427 0.000 1.002 1063 G CA -0.182 44.809 45.100 -0.182 0.000 0.730 1063 G HN 0.252 nan 8.290 nan 0.000 0.497 1064 Y N -0.456 119.857 120.300 0.022 0.000 2.857 1064 Y HA 0.727 5.277 4.550 0.001 0.000 0.318 1064 Y C 0.254 176.169 175.900 0.025 0.000 1.313 1064 Y CA -1.101 57.010 58.100 0.018 0.000 1.117 1064 Y CB 0.675 39.140 38.460 0.009 0.000 1.344 1064 Y HN 0.083 nan 8.280 nan 0.000 0.525 1065 Q N 0.414 120.370 119.800 0.259 0.000 2.294 1065 Q HA 0.261 4.602 4.340 0.001 0.000 0.257 1065 Q C 0.342 176.417 176.000 0.125 0.000 0.955 1065 Q CA 0.165 56.070 55.803 0.171 0.000 0.936 1065 Q CB 1.506 30.365 28.738 0.201 0.000 1.188 1065 Q HN 0.657 nan 8.270 nan 0.000 0.420 1066 S N 3.788 119.547 115.700 0.098 0.000 2.555 1066 S HA 0.019 4.489 4.470 0.001 0.000 0.230 1066 S C 0.673 175.273 174.600 0.000 0.000 0.978 1066 S CA 0.189 58.420 58.200 0.053 0.000 0.934 1066 S CB 0.051 63.285 63.200 0.057 0.000 0.766 1066 S HN 0.636 nan 8.310 nan 0.000 0.533 1067 R N 0.512 121.004 120.500 -0.014 0.000 2.586 1067 R HA 0.397 4.737 4.340 0.001 0.000 0.336 1067 R C 1.519 177.619 176.300 -0.333 0.000 1.060 1067 R CA 0.377 56.428 56.100 -0.082 0.000 1.079 1067 R CB -0.243 30.078 30.300 0.034 0.000 1.317 1067 R HN 0.549 nan 8.270 nan 0.000 0.568 1068 G N 0.847 109.386 108.800 -0.435 0.000 2.659 1068 G HA2 -0.282 3.679 3.960 0.001 0.000 0.212 1068 G HA3 -0.282 3.679 3.960 0.001 0.000 0.212 1068 G C 0.210 174.859 174.900 -0.418 0.000 1.226 1068 G CA -0.425 44.195 45.100 -0.800 0.000 0.739 1068 G HN 0.248 nan 8.290 nan 0.000 0.528 1069 F N 2.855 122.810 119.950 0.009 0.000 2.642 1069 F HA 0.414 4.942 4.527 0.001 0.000 0.371 1069 F C 1.046 176.875 175.800 0.048 0.000 1.120 1069 F CA 0.895 58.931 58.000 0.060 0.000 1.331 1069 F CB 0.350 39.397 39.000 0.080 0.000 1.044 1069 F HN 0.172 nan 8.300 nan 0.000 0.594 1070 E N 1.643 121.989 120.200 0.242 0.000 2.274 1070 E HA 0.265 4.615 4.350 0.001 0.000 0.269 1070 E C -1.349 175.261 176.600 0.016 0.000 0.891 1070 E CA -0.856 55.612 56.400 0.114 0.000 0.784 1070 E CB 2.302 32.033 29.700 0.051 0.000 1.225 1070 E HN 0.257 nan 8.360 nan 0.000 0.412 1071 V N 4.073 123.976 119.914 -0.018 0.000 2.393 1071 V HA 0.004 4.125 4.120 0.001 0.000 0.257 1071 V C 0.536 176.507 176.094 -0.204 0.000 1.040 1071 V CA 0.641 62.864 62.300 -0.130 0.000 1.097 1071 V CB -0.994 30.731 31.823 -0.163 0.000 1.101 1071 V HN 0.660 nan 8.190 nan 0.000 0.479 1072 M N 4.066 123.523 119.600 -0.239 0.000 2.247 1072 M HA 0.447 4.927 4.480 0.001 0.000 0.326 1072 M C -0.717 175.319 176.300 -0.440 0.000 1.134 1072 M CA -0.230 54.898 55.300 -0.285 0.000 1.136 1072 M CB 1.162 33.600 32.600 -0.270 0.000 1.454 1072 M HN 0.459 nan 8.290 nan 0.000 0.467 1073 Y N 0.763 120.686 120.300 -0.630 0.000 2.342 1073 Y HA 0.248 4.798 4.550 0.001 0.000 0.334 1073 Y C 0.550 176.221 175.900 -0.380 0.000 1.067 1073 Y CA -0.938 56.776 58.100 -0.642 0.000 1.128 1073 Y CB 0.531 38.269 38.460 -1.204 0.000 1.200 1073 Y HN 0.584 nan 8.280 nan 0.000 0.464 1074 N N 1.133 119.848 118.700 0.025 0.000 2.395 1074 N HA -0.050 4.690 4.740 0.001 0.000 0.246 1074 N C 1.032 176.701 175.510 0.265 0.000 1.246 1074 N CA 0.873 54.034 53.050 0.185 0.000 0.879 1074 N CB 1.363 39.942 38.487 0.154 0.000 1.098 1074 N HN 1.002 nan 8.380 nan 0.000 0.444 1075 G N 2.106 111.058 108.800 0.254 0.000 2.394 1075 G HA2 -0.195 3.765 3.960 0.001 0.000 0.214 1075 G HA3 -0.195 3.765 3.960 0.001 0.000 0.214 1075 G C 1.207 176.146 174.900 0.065 0.000 1.176 1075 G CA 0.470 45.684 45.100 0.190 0.000 0.786 1075 G HN 0.780 nan 8.290 nan 0.000 0.533 1076 H N 0.396 119.580 119.070 0.189 0.000 2.389 1076 H HA -0.010 4.546 4.556 0.001 0.000 0.299 1076 H C 2.393 177.779 175.328 0.096 0.000 1.081 1076 H CA 1.730 57.836 56.048 0.096 0.000 1.345 1076 H CB -0.333 29.451 29.762 0.038 0.000 1.393 1076 H HN 0.335 nan 8.280 nan 0.000 0.520 1077 T N -1.774 112.915 114.554 0.226 0.000 3.056 1077 T HA 0.254 4.605 4.350 0.001 0.000 0.241 1077 T C 1.673 176.489 174.700 0.193 0.000 1.006 1077 T CA 0.755 62.959 62.100 0.173 0.000 1.115 1077 T CB 0.346 69.300 68.868 0.143 0.000 0.939 1077 T HN 0.556 nan 8.240 nan 0.000 0.462 1078 G N 2.151 111.112 108.800 0.268 0.000 2.143 1078 G HA2 -0.272 3.689 3.960 0.001 0.000 0.249 1078 G HA3 -0.272 3.689 3.960 0.001 0.000 0.249 1078 G C 0.073 175.154 174.900 0.302 0.000 0.981 1078 G CA 0.263 45.585 45.100 0.369 0.000 0.665 1078 G HN 0.582 nan 8.290 nan 0.000 0.528 1079 K N 1.231 121.741 120.400 0.184 0.000 2.378 1079 K HA 0.333 4.653 4.320 0.001 0.000 0.288 1079 K C 0.961 177.568 176.600 0.012 0.000 1.057 1079 K CA -0.457 55.891 56.287 0.102 0.000 0.971 1079 K CB 0.200 32.738 32.500 0.063 0.000 0.975 1079 K HN 0.270 nan 8.250 nan 0.000 0.475 1080 K N 3.263 123.593 120.400 -0.117 0.000 2.578 1080 K HA -0.133 4.188 4.320 0.001 0.000 0.279 1080 K C -0.069 176.364 176.600 -0.279 0.000 0.983 1080 K CA 0.424 56.431 56.287 -0.467 0.000 1.078 1080 K CB 0.277 32.521 32.500 -0.427 0.000 0.852 1080 K HN 0.532 nan 8.250 nan 0.000 0.490 1081 L N 4.105 125.137 121.223 -0.318 0.000 2.305 1081 L HA 0.049 4.389 4.340 0.001 0.000 0.281 1081 L C 1.411 178.195 176.870 -0.144 0.000 1.085 1081 L CA -0.360 54.386 54.840 -0.157 0.000 0.813 1081 L CB 0.988 42.985 42.059 -0.104 0.000 1.157 1081 L HN 0.768 nan 8.230 nan 0.000 0.436 1082 M N 3.381 122.927 119.600 -0.090 0.000 2.229 1082 M HA 0.002 4.482 4.480 0.001 0.000 0.264 1082 M C 0.820 177.065 176.300 -0.092 0.000 1.063 1082 M CA 1.053 56.301 55.300 -0.086 0.000 1.114 1082 M CB -0.053 32.512 32.600 -0.058 0.000 1.387 1082 M HN 0.630 nan 8.290 nan 0.000 0.420 1083 A N -0.053 122.721 122.820 -0.077 0.000 2.286 1083 A HA 0.551 4.872 4.320 0.001 0.000 0.286 1083 A C -0.306 177.220 177.584 -0.096 0.000 1.097 1083 A CA -0.634 51.350 52.037 -0.089 0.000 0.821 1083 A CB 0.388 19.360 19.000 -0.046 0.000 1.076 1083 A HN 0.458 nan 8.150 nan 0.000 0.490 1084 Q N -0.574 119.148 119.800 -0.130 0.000 2.240 1084 Q HA 0.726 5.066 4.340 0.001 0.000 0.260 1084 Q C -1.345 174.731 176.000 0.126 0.000 1.018 1084 Q CA -0.195 55.582 55.803 -0.044 0.000 0.898 1084 Q CB 1.598 30.307 28.738 -0.048 0.000 1.301 1084 Q HN 0.576 nan 8.270 nan 0.000 0.469 1085 I N 0.685 121.418 120.570 0.272 0.000 2.466 1085 I HA 0.248 4.419 4.170 0.001 0.000 0.289 1085 I C -0.881 175.540 176.117 0.507 0.000 1.026 1085 I CA -0.583 60.977 61.300 0.432 0.000 1.078 1085 I CB 1.126 39.296 38.000 0.283 0.000 1.249 1085 I HN 0.513 nan 8.210 nan 0.000 0.429 1086 F N 6.702 126.838 119.950 0.311 0.000 2.392 1086 F HA -0.083 4.444 4.527 0.001 0.000 0.385 1086 F C -0.376 175.523 175.800 0.164 0.000 1.032 1086 F CA 0.826 58.815 58.000 -0.020 0.000 1.008 1086 F CB -0.165 38.759 39.000 -0.127 0.000 0.915 1086 F HN 0.249 nan 8.300 nan 0.000 0.532 1087 F N 5.148 124.984 119.950 -0.189 0.000 2.375 1087 F HA 0.580 5.107 4.527 0.001 0.000 0.361 1087 F C 0.309 175.978 175.800 -0.218 0.000 1.117 1087 F CA -0.991 56.942 58.000 -0.113 0.000 1.037 1087 F CB 0.944 39.899 39.000 -0.075 0.000 1.192 1087 F HN 0.386 nan 8.300 nan 0.000 0.452 1088 G N 5.541 114.129 108.800 -0.353 0.000 2.495 1088 G HA2 0.636 4.596 3.960 0.001 0.000 0.318 1088 G HA3 0.636 4.596 3.960 0.001 0.000 0.318 1088 G C -3.233 171.510 174.900 -0.261 0.000 1.257 1088 G CA -1.914 43.027 45.100 -0.266 0.000 0.962 1088 G HN 0.292 nan 8.290 nan 0.000 0.483 1089 P HA 0.373 nan 4.420 nan 0.000 0.287 1089 P C -0.741 176.547 177.300 -0.020 0.000 1.281 1089 P CA -0.325 62.713 63.100 -0.103 0.000 0.781 1089 P CB 1.399 33.048 31.700 -0.085 0.000 0.903 1090 T N 2.127 116.722 114.554 0.069 0.000 3.186 1090 T HA 0.129 4.480 4.350 0.001 0.000 0.320 1090 T C -0.651 174.227 174.700 0.296 0.000 0.955 1090 T CA -0.457 61.725 62.100 0.138 0.000 1.030 1090 T CB -0.116 68.815 68.868 0.105 0.000 1.013 1090 T HN 0.142 nan 8.240 nan 0.000 0.454 1091 Y N 3.450 123.794 120.300 0.074 0.000 2.887 1091 Y HA 0.078 4.629 4.550 0.001 0.000 0.350 1091 Y C -0.395 175.588 175.900 0.138 0.000 1.294 1091 Y CA -0.184 57.984 58.100 0.113 0.000 1.622 1091 Y CB -0.324 38.171 38.460 0.059 0.000 1.201 1091 Y HN 0.599 nan 8.280 nan 0.000 0.546 1092 Y N 3.047 123.419 120.300 0.120 0.000 2.631 1092 Y HA 0.494 5.044 4.550 0.000 0.000 0.328 1092 Y C -0.285 175.611 175.900 -0.006 0.000 1.118 1092 Y CA -0.833 57.352 58.100 0.143 0.000 1.206 1092 Y CB 1.624 40.275 38.460 0.318 0.000 1.337 1092 Y HN 0.416 nan 8.280 nan 0.000 0.515 1093 Q N 0.994 120.854 119.800 0.101 0.000 2.372 1093 Q HA 0.474 4.814 4.340 0.001 0.000 0.273 1093 Q C -1.431 174.421 176.000 -0.246 0.000 1.078 1093 Q CA -1.380 54.345 55.803 -0.130 0.000 0.806 1093 Q CB 2.692 31.343 28.738 -0.145 0.000 1.332 1093 Q HN 0.329 nan 8.270 nan 0.000 0.435 1094 R N 2.506 122.725 120.500 -0.468 0.000 2.215 1094 R HA 0.369 4.709 4.340 0.001 0.000 0.337 1094 R C -1.517 174.457 176.300 -0.544 0.000 1.010 1094 R CA -0.183 55.469 56.100 -0.747 0.000 0.871 1094 R CB -0.242 29.593 30.300 -0.776 0.000 1.134 1094 R HN 0.587 nan 8.270 nan 0.000 0.477 1095 L N 3.769 124.676 121.223 -0.527 0.000 2.468 1095 L HA 0.505 4.845 4.340 0.001 0.000 0.254 1095 L C 1.163 177.895 176.870 -0.230 0.000 1.171 1095 L CA -0.945 53.730 54.840 -0.275 0.000 0.809 1095 L CB 0.336 42.313 42.059 -0.135 0.000 1.155 1095 L HN 0.650 nan 8.230 nan 0.000 0.473 1096 R N -0.390 120.039 120.500 -0.118 0.000 3.372 1096 R HA 0.058 4.399 4.340 0.001 0.000 0.245 1096 R C -0.349 175.751 176.300 -0.333 0.000 1.061 1096 R CA -0.386 55.584 56.100 -0.217 0.000 1.113 1096 R CB -0.442 29.668 30.300 -0.317 0.000 0.921 1096 R HN 0.746 nan 8.270 nan 0.000 0.485 1097 H N -1.680 117.333 119.070 -0.095 0.000 2.680 1097 H HA -0.141 4.416 4.556 0.001 0.000 0.328 1097 H C -0.643 174.617 175.328 -0.114 0.000 1.139 1097 H CA 0.761 56.749 56.048 -0.099 0.000 1.124 1097 H CB -1.947 27.774 29.762 -0.068 0.000 1.584 1097 H HN 0.438 nan 8.280 nan 0.000 0.410 1098 M N 0.498 120.055 119.600 -0.072 0.000 2.243 1098 M HA 0.059 4.539 4.480 0.001 0.000 0.341 1098 M C 2.271 178.554 176.300 -0.029 0.000 1.130 1098 M CA 0.152 55.414 55.300 -0.063 0.000 1.162 1098 M CB 0.847 33.385 32.600 -0.103 0.000 1.497 1098 M HN 0.195 nan 8.290 nan 0.000 0.456 1099 V N -1.247 118.667 119.914 -0.001 0.000 2.453 1099 V HA -0.232 3.889 4.120 0.001 0.000 0.252 1099 V C 1.006 177.095 176.094 -0.007 0.000 1.068 1099 V CA 1.926 64.232 62.300 0.009 0.000 1.070 1099 V CB -0.733 31.106 31.823 0.027 0.000 0.664 1099 V HN 0.837 nan 8.190 nan 0.000 0.461 1100 D N 0.449 120.830 120.400 -0.032 0.000 2.349 1100 D HA 0.048 4.689 4.640 0.001 0.000 0.224 1100 D C 0.711 176.979 176.300 -0.054 0.000 1.029 1100 D CA 0.659 54.638 54.000 -0.036 0.000 0.879 1100 D CB -0.134 40.643 40.800 -0.038 0.000 0.906 1100 D HN 0.670 nan 8.370 nan 0.000 0.528 1101 D N 0.566 120.925 120.400 -0.069 0.000 2.894 1101 D HA 0.086 4.727 4.640 0.001 0.000 0.273 1101 D C 1.091 177.369 176.300 -0.036 0.000 1.328 1101 D CA 0.040 53.993 54.000 -0.077 0.000 0.845 1101 D CB 0.513 41.232 40.800 -0.136 0.000 1.072 1101 D HN 0.340 nan 8.370 nan 0.000 0.484 1102 K N -0.614 119.783 120.400 -0.006 0.000 2.524 1102 K HA 0.069 4.389 4.320 0.001 0.000 0.181 1102 K C 0.212 176.845 176.600 0.055 0.000 1.665 1102 K CA -0.347 55.951 56.287 0.019 0.000 1.037 1102 K CB 0.352 32.864 32.500 0.020 0.000 1.476 1102 K HN -0.094 nan 8.250 nan 0.000 0.583 1103 I N 4.290 124.889 120.570 0.048 0.000 2.532 1103 I HA 0.078 4.249 4.170 0.001 0.000 0.302 1103 I C 0.121 176.306 176.117 0.113 0.000 1.176 1103 I CA 0.297 61.635 61.300 0.062 0.000 1.975 1103 I CB -1.914 36.108 38.000 0.037 0.000 1.536 1103 I HN 0.198 nan 8.210 nan 0.000 0.919 1104 H N 4.460 123.533 119.070 0.004 0.000 2.481 1104 H HA 0.744 5.300 4.556 0.001 0.000 0.339 1104 H C -0.800 174.534 175.328 0.009 0.000 1.131 1104 H CA -0.776 55.276 56.048 0.006 0.000 1.301 1104 H CB 1.493 31.259 29.762 0.007 0.000 1.476 1104 H HN 0.595 nan 8.280 nan 0.000 0.529 1105 A N 4.799 127.480 122.820 -0.230 0.000 2.540 1105 A HA 0.536 4.857 4.320 0.001 0.000 0.297 1105 A C -1.164 176.244 177.584 -0.294 0.000 1.056 1105 A CA -0.832 51.006 52.037 -0.331 0.000 0.700 1105 A CB 1.246 20.173 19.000 -0.121 0.000 1.280 1105 A HN 0.812 nan 8.150 nan 0.000 0.398 1106 R N 1.528 121.850 120.500 -0.296 0.000 2.686 1106 R HA 0.784 5.125 4.340 0.001 0.000 0.286 1106 R C -1.092 175.163 176.300 -0.075 0.000 0.969 1106 R CA -0.165 55.862 56.100 -0.121 0.000 0.898 1106 R CB 1.986 32.238 30.300 -0.081 0.000 1.183 1106 R HN 1.372 nan 8.270 nan 0.000 0.456 1107 A N 5.292 128.091 122.820 -0.035 0.000 2.586 1107 A HA 0.449 4.769 4.320 0.001 0.000 0.320 1107 A C -0.344 177.232 177.584 -0.013 0.000 1.281 1107 A CA -0.338 51.682 52.037 -0.027 0.000 0.775 1107 A CB 0.190 19.177 19.000 -0.022 0.000 1.122 1107 A HN 1.102 nan 8.150 nan 0.000 0.470 1108 R N 0.789 121.281 120.500 -0.013 0.000 3.847 1108 R HA 0.082 4.422 4.340 0.001 0.000 0.489 1108 R C 0.443 176.749 176.300 0.010 0.000 0.241 1108 R CA 0.959 57.057 56.100 -0.003 0.000 1.532 1108 R CB -1.369 28.928 30.300 -0.005 0.000 1.049 1108 R HN 2.558 nan 8.270 nan 0.000 0.543 1109 G N -1.666 107.140 108.800 0.010 0.000 2.265 1109 G HA2 0.126 4.086 3.960 0.001 0.000 0.246 1109 G HA3 0.126 4.086 3.960 0.001 0.000 0.246 1109 G C -2.706 172.200 174.900 0.010 0.000 1.299 1109 G CA -0.467 44.643 45.100 0.017 0.000 1.117 1109 G HN 0.857 nan 8.290 nan 0.000 0.485 1110 P HA 0.526 nan 4.420 nan 0.000 0.270 1110 P C -0.698 176.601 177.300 -0.002 0.000 1.223 1110 P CA 0.315 63.417 63.100 0.004 0.000 0.785 1110 P CB 1.196 32.901 31.700 0.009 0.000 0.923 1111 M N 0.951 120.541 119.600 -0.016 0.000 2.265 1111 M HA 0.158 4.639 4.480 0.001 0.000 0.262 1111 M C -0.495 175.779 176.300 -0.044 0.000 1.026 1111 M CA -0.151 55.130 55.300 -0.032 0.000 0.987 1111 M CB 1.877 34.448 32.600 -0.049 0.000 1.937 1111 M HN 0.254 nan 8.290 nan 0.000 0.481 1112 Q N 1.725 121.501 119.800 -0.038 0.000 2.394 1112 Q HA 0.052 4.392 4.340 0.001 0.000 0.303 1112 Q C 0.819 176.775 176.000 -0.073 0.000 1.117 1112 Q CA 0.187 55.965 55.803 -0.041 0.000 0.966 1112 Q CB 0.709 29.431 28.738 -0.026 0.000 1.275 1112 Q HN 0.737 nan 8.270 nan 0.000 0.429 1113 V N 0.942 120.819 119.914 -0.062 0.000 2.725 1113 V HA -0.137 3.984 4.120 0.001 0.000 0.247 1113 V C 1.657 177.694 176.094 -0.096 0.000 1.058 1113 V CA 0.631 62.879 62.300 -0.087 0.000 1.080 1113 V CB -0.496 31.294 31.823 -0.055 0.000 0.713 1113 V HN 0.611 nan 8.190 nan 0.000 0.465 1114 L N 1.954 123.152 121.223 -0.043 0.000 1.988 1114 L HA -0.069 4.271 4.340 0.001 0.000 0.207 1114 L C 2.469 179.369 176.870 0.050 0.000 1.071 1114 L CA 2.943 57.788 54.840 0.008 0.000 0.744 1114 L CB -0.781 41.291 42.059 0.021 0.000 0.893 1114 L HN 0.577 nan 8.230 nan 0.000 0.433 1115 T N -4.077 110.488 114.554 0.019 0.000 3.069 1115 T HA 0.168 4.518 4.350 0.001 0.000 0.252 1115 T C 0.612 175.299 174.700 -0.022 0.000 1.053 1115 T CA -0.339 61.810 62.100 0.082 0.000 0.964 1115 T CB -0.037 68.869 68.868 0.063 0.000 1.005 1115 T HN 0.343 nan 8.240 nan 0.000 0.532 1116 R N 1.097 121.489 120.500 -0.180 0.000 3.423 1116 R HA -0.121 4.220 4.340 0.001 0.000 0.271 1116 R C -0.891 175.351 176.300 -0.096 0.000 1.093 1116 R CA 0.520 56.473 56.100 -0.245 0.000 0.730 1116 R CB -2.654 27.332 30.300 -0.524 0.000 1.190 1116 R HN 0.670 nan 8.270 nan 0.000 0.437 1117 Q N 0.267 120.036 119.800 -0.051 0.000 2.377 1117 Q HA 0.421 4.762 4.340 0.001 0.000 0.271 1117 Q C -2.456 173.538 176.000 -0.011 0.000 1.077 1117 Q CA -2.404 53.389 55.803 -0.015 0.000 0.820 1117 Q CB 2.111 30.854 28.738 0.009 0.000 1.347 1117 Q HN -0.162 nan 8.270 nan 0.000 0.444 1118 P HA -0.172 nan 4.420 nan 0.000 0.251 1118 P C -0.067 177.245 177.300 0.019 0.000 1.116 1118 P CA 0.531 63.641 63.100 0.017 0.000 0.776 1118 P CB -0.358 31.361 31.700 0.032 0.000 0.701 1119 V N 1.455 121.377 119.914 0.013 0.000 3.367 1119 V HA -0.017 4.103 4.120 0.001 0.000 0.304 1119 V C 0.715 176.820 176.094 0.018 0.000 1.131 1119 V CA -0.037 62.269 62.300 0.010 0.000 1.233 1119 V CB 0.030 31.855 31.823 0.004 0.000 1.021 1119 V HN 0.487 nan 8.190 nan 0.000 0.497 1120 E N 0.942 121.146 120.200 0.006 0.000 2.280 1120 E HA 0.570 4.920 4.350 0.001 0.000 0.261 1120 E C 0.332 176.919 176.600 -0.021 0.000 1.088 1120 E CA 0.037 56.440 56.400 0.005 0.000 0.915 1120 E CB 1.364 31.066 29.700 0.002 0.000 1.141 1120 E HN 1.726 nan 8.360 nan 0.000 0.433 1121 G N 1.461 110.242 108.800 -0.032 0.000 2.731 1121 G HA2 -0.231 3.729 3.960 0.001 0.000 0.686 1121 G HA3 -0.231 3.729 3.960 0.001 0.000 0.686 1121 G C 0.335 175.111 174.900 -0.207 0.000 1.395 1121 G CA 0.120 45.171 45.100 -0.082 0.000 0.870 1121 G HN 0.567 nan 8.290 nan 0.000 0.591 1122 R N 0.248 120.589 120.500 -0.265 0.000 2.161 1122 R HA 0.036 4.377 4.340 0.001 0.000 0.213 1122 R C 1.811 177.869 176.300 -0.405 0.000 1.055 1122 R CA 1.990 57.761 56.100 -0.549 0.000 0.996 1122 R CB -0.629 29.505 30.300 -0.275 0.000 0.901 1122 R HN 1.075 nan 8.270 nan 0.000 0.456 1123 S N 0.300 115.878 115.700 -0.204 0.000 2.582 1123 S HA 0.327 4.797 4.470 0.001 0.000 0.249 1123 S C 0.854 175.403 174.600 -0.084 0.000 1.072 1123 S CA -0.603 57.526 58.200 -0.118 0.000 1.115 1123 S CB 0.229 63.386 63.200 -0.071 0.000 0.790 1123 S HN 0.297 nan 8.310 nan 0.000 0.459 1124 R N 1.475 121.911 120.500 -0.106 0.000 2.549 1124 R HA 0.126 4.467 4.340 0.001 0.000 0.361 1124 R C -0.802 175.477 176.300 -0.036 0.000 0.969 1124 R CA 0.288 56.356 56.100 -0.052 0.000 1.158 1124 R CB 0.122 30.400 30.300 -0.037 0.000 1.456 1124 R HN 0.480 nan 8.270 nan 0.000 0.540 1125 D N -0.880 119.473 120.400 -0.077 0.000 2.956 1125 D HA -0.142 4.498 4.640 0.001 0.000 0.240 1125 D C 0.126 176.489 176.300 0.106 0.000 1.141 1125 D CA 0.889 54.915 54.000 0.043 0.000 0.820 1125 D CB -0.750 40.094 40.800 0.074 0.000 0.988 1125 D HN 0.414 nan 8.370 nan 0.000 0.417 1126 G N 0.688 109.520 108.800 0.053 0.000 2.783 1126 G HA2 0.778 4.738 3.960 0.001 0.000 0.182 1126 G HA3 0.778 4.738 3.960 0.001 0.000 0.182 1126 G C 0.545 175.626 174.900 0.303 0.000 1.516 1126 G CA -0.173 45.007 45.100 0.133 0.000 1.079 1126 G HN 0.957 nan 8.290 nan 0.000 0.573 1127 G N -1.906 107.036 108.800 0.237 0.000 2.677 1127 G HA2 0.505 4.465 3.960 0.001 0.000 0.291 1127 G HA3 0.505 4.465 3.960 0.001 0.000 0.291 1127 G C -1.401 173.578 174.900 0.132 0.000 1.435 1127 G CA -0.881 44.315 45.100 0.160 0.000 0.826 1127 G HN 0.521 nan 8.290 nan 0.000 0.491 1128 L N 0.839 122.112 121.223 0.084 0.000 2.331 1128 L HA 0.449 4.789 4.340 0.001 0.000 0.278 1128 L C 1.185 178.122 176.870 0.113 0.000 1.106 1128 L CA -0.783 54.118 54.840 0.102 0.000 0.824 1128 L CB 1.172 43.286 42.059 0.093 0.000 1.142 1128 L HN 0.604 nan 8.230 nan 0.000 0.443 1129 R N 2.500 123.064 120.500 0.106 0.000 2.486 1129 R HA -0.083 4.257 4.340 0.001 0.000 0.303 1129 R C -0.524 175.879 176.300 0.171 0.000 0.958 1129 R CA 0.207 56.374 56.100 0.111 0.000 1.077 1129 R CB 0.099 30.438 30.300 0.065 0.000 0.921 1129 R HN 0.443 nan 8.270 nan 0.000 0.406 1130 F N 6.217 126.177 119.950 0.018 0.000 2.461 1130 F HA 0.418 4.946 4.527 0.001 0.000 0.321 1130 F C 0.448 176.259 175.800 0.019 0.000 1.203 1130 F CA -0.739 57.275 58.000 0.023 0.000 1.238 1130 F CB 0.057 39.065 39.000 0.013 0.000 1.528 1130 F HN 0.653 nan 8.300 nan 0.000 0.554 1131 G N 2.208 110.930 108.800 -0.130 0.000 2.712 1131 G HA2 0.040 4.000 3.960 0.001 0.000 0.258 1131 G HA3 0.040 4.000 3.960 0.001 0.000 0.258 1131 G C 0.774 175.521 174.900 -0.255 0.000 1.241 1131 G CA 0.094 45.112 45.100 -0.137 0.000 0.923 1131 G HN 0.701 nan 8.290 nan 0.000 0.548 1132 E N -0.426 119.680 120.200 -0.157 0.000 2.110 1132 E HA -0.212 4.138 4.350 0.001 0.000 0.193 1132 E C 2.268 178.767 176.600 -0.169 0.000 0.988 1132 E CA 1.064 57.372 56.400 -0.154 0.000 0.804 1132 E CB -0.204 29.447 29.700 -0.082 0.000 0.745 1132 E HN 0.486 nan 8.360 nan 0.000 0.458 1133 M N 0.758 120.275 119.600 -0.138 0.000 2.149 1133 M HA -0.194 4.287 4.480 0.001 0.000 0.261 1133 M C 1.485 177.694 176.300 -0.151 0.000 1.064 1133 M CA 1.738 56.969 55.300 -0.115 0.000 1.102 1133 M CB 0.084 32.636 32.600 -0.081 0.000 1.369 1133 M HN -0.039 nan 8.290 nan 0.000 0.408 1134 E N 0.110 120.168 120.200 -0.235 0.000 2.118 1134 E HA -0.223 4.127 4.350 0.001 0.000 0.195 1134 E C 1.903 178.268 176.600 -0.392 0.000 0.992 1134 E CA 1.219 57.424 56.400 -0.326 0.000 0.804 1134 E CB -0.605 28.727 29.700 -0.613 0.000 0.741 1134 E HN 0.483 nan 8.360 nan 0.000 0.458 1135 R N 0.816 121.029 120.500 -0.477 0.000 2.080 1135 R HA -0.179 4.161 4.340 0.001 0.000 0.236 1135 R C 1.330 177.582 176.300 -0.080 0.000 1.137 1135 R CA 1.882 57.824 56.100 -0.263 0.000 0.943 1135 R CB -0.235 29.953 30.300 -0.186 0.000 0.846 1135 R HN 0.148 nan 8.270 nan 0.000 0.431 1136 D N 0.625 120.971 120.400 -0.090 0.000 2.106 1136 D HA -0.195 4.446 4.640 0.001 0.000 0.191 1136 D C 1.930 178.201 176.300 -0.048 0.000 0.997 1136 D CA 1.738 55.706 54.000 -0.053 0.000 0.834 1136 D CB -0.709 40.055 40.800 -0.060 0.000 0.956 1136 D HN 0.524 nan 8.370 nan 0.000 0.448 1137 C N -0.479 118.782 119.300 -0.066 0.000 2.511 1137 C HA 0.202 4.662 4.460 0.001 0.000 0.277 1137 C C 2.297 177.269 174.990 -0.030 0.000 1.451 1137 C CA -0.351 58.602 59.018 -0.108 0.000 1.735 1137 C CB -1.317 26.352 27.740 -0.117 0.000 1.704 1137 C HN 0.054 nan 8.230 nan 0.000 0.571 1138 M N 1.037 120.710 119.600 0.121 0.000 2.435 1138 M HA 0.270 4.750 4.480 0.001 0.000 0.265 1138 M C 1.930 178.341 176.300 0.185 0.000 1.104 1138 M CA 1.225 56.683 55.300 0.264 0.000 1.140 1138 M CB -0.441 32.411 32.600 0.420 0.000 1.372 1138 M HN 0.348 nan 8.290 nan 0.000 0.456 1139 I N -1.017 119.612 120.570 0.098 0.000 2.277 1139 I HA -0.139 4.031 4.170 0.001 0.000 0.243 1139 I C 2.456 178.599 176.117 0.043 0.000 1.094 1139 I CA 0.928 62.272 61.300 0.073 0.000 1.393 1139 I CB -0.917 37.109 38.000 0.043 0.000 1.078 1139 I HN 0.192 nan 8.210 nan 0.000 0.417 1140 A N 0.819 123.630 122.820 -0.016 0.000 1.896 1140 A HA -0.330 3.990 4.320 0.001 0.000 0.220 1140 A C 2.147 179.719 177.584 -0.021 0.000 1.206 1140 A CA 2.351 54.352 52.037 -0.060 0.000 0.647 1140 A CB -1.533 17.374 19.000 -0.155 0.000 0.828 1140 A HN 0.525 nan 8.150 nan 0.000 0.455 1141 H N -1.826 117.261 119.070 0.027 0.000 2.457 1141 H HA 0.123 4.679 4.556 0.001 0.000 0.297 1141 H C 1.734 177.076 175.328 0.024 0.000 1.092 1141 H CA 0.780 56.840 56.048 0.020 0.000 1.309 1141 H CB -0.016 29.756 29.762 0.017 0.000 1.382 1141 H HN 0.781 nan 8.280 nan 0.000 0.535 1142 G N -0.290 108.607 108.800 0.162 0.000 2.157 1142 G HA2 -0.300 3.660 3.960 0.001 0.000 0.248 1142 G HA3 -0.300 3.660 3.960 0.001 0.000 0.248 1142 G C 0.419 175.387 174.900 0.113 0.000 0.979 1142 G CA 0.137 45.302 45.100 0.108 0.000 0.650 1142 G HN 0.637 nan 8.290 nan 0.000 0.529 1143 A N 0.178 123.089 122.820 0.151 0.000 2.785 1143 A HA 0.765 5.085 4.320 0.001 0.000 0.294 1143 A C 1.569 179.264 177.584 0.184 0.000 1.597 1143 A CA 1.154 53.276 52.037 0.142 0.000 1.283 1143 A CB -0.076 18.993 19.000 0.115 0.000 1.088 1143 A HN 1.701 nan 8.150 nan 0.000 0.568 1144 A N 1.892 124.792 122.820 0.133 0.000 1.878 1144 A HA 0.067 4.387 4.320 0.001 0.000 0.213 1144 A C 2.395 180.050 177.584 0.119 0.000 1.192 1144 A CA 1.610 53.718 52.037 0.119 0.000 0.619 1144 A CB -0.657 18.391 19.000 0.081 0.000 0.837 1144 A HN 0.618 nan 8.150 nan 0.000 0.446 1145 S N -0.821 114.946 115.700 0.112 0.000 2.365 1145 S HA -0.162 4.309 4.470 0.001 0.000 0.225 1145 S C 1.654 176.326 174.600 0.121 0.000 1.039 1145 S CA 1.732 59.989 58.200 0.095 0.000 1.033 1145 S CB -0.510 62.738 63.200 0.081 0.000 0.887 1145 S HN 0.581 nan 8.310 nan 0.000 0.447 1146 F N 2.256 122.212 119.950 0.010 0.000 2.010 1146 F HA -0.108 4.419 4.527 0.001 0.000 0.296 1146 F C 2.062 177.866 175.800 0.007 0.000 1.146 1146 F CA 1.666 59.664 58.000 -0.002 0.000 1.181 1146 F CB -0.917 38.087 39.000 0.006 0.000 0.965 1146 F HN 0.177 nan 8.300 nan 0.000 0.480 1147 L N 0.643 121.909 121.223 0.072 0.000 2.197 1147 L HA -0.277 4.063 4.340 0.001 0.000 0.215 1147 L C 2.482 179.311 176.870 -0.068 0.000 1.095 1147 L CA 1.925 56.771 54.840 0.009 0.000 0.764 1147 L CB -0.644 41.549 42.059 0.223 0.000 0.897 1147 L HN 0.284 nan 8.230 nan 0.000 0.436 1148 K N 0.131 120.500 120.400 -0.051 0.000 1.975 1148 K HA -0.254 4.066 4.320 0.001 0.000 0.210 1148 K C 2.044 178.577 176.600 -0.112 0.000 1.041 1148 K CA 1.754 58.013 56.287 -0.046 0.000 0.942 1148 K CB -0.402 32.093 32.500 -0.009 0.000 0.729 1148 K HN 0.570 nan 8.250 nan 0.000 0.439 1149 E N 0.873 120.986 120.200 -0.145 0.000 2.065 1149 E HA -0.279 4.071 4.350 0.001 0.000 0.201 1149 E C 1.730 178.169 176.600 -0.268 0.000 1.016 1149 E CA 1.549 57.845 56.400 -0.174 0.000 0.818 1149 E CB -0.230 29.381 29.700 -0.149 0.000 0.749 1149 E HN 0.100 nan 8.360 nan 0.000 0.453 1150 R N -0.107 120.090 120.500 -0.505 0.000 2.387 1150 R HA -0.038 4.303 4.340 0.001 0.000 0.203 1150 R C 0.866 176.944 176.300 -0.370 0.000 1.121 1150 R CA 0.480 56.196 56.100 -0.640 0.000 1.129 1150 R CB -0.234 29.270 30.300 -1.326 0.000 0.905 1150 R HN 0.352 nan 8.270 nan 0.000 0.477 1151 L N -2.316 118.795 121.223 -0.186 0.000 3.679 1151 L HA 0.290 4.631 4.340 0.001 0.000 0.342 1151 L C 0.648 177.502 176.870 -0.027 0.000 1.170 1151 L CA 0.208 55.019 54.840 -0.049 0.000 1.221 1151 L CB 0.306 42.367 42.059 0.004 0.000 1.654 1151 L HN 0.089 nan 8.230 nan 0.000 0.628 1152 M N -1.136 118.431 119.600 -0.054 0.000 3.093 1152 M HA 0.254 4.734 4.480 0.001 0.000 0.193 1152 M C 1.464 177.742 176.300 -0.036 0.000 1.571 1152 M CA 0.682 55.968 55.300 -0.023 0.000 1.464 1152 M CB -0.718 31.865 32.600 -0.028 0.000 0.940 1152 M HN -0.146 nan 8.290 nan 0.000 0.561 1153 E N 1.135 121.297 120.200 -0.065 0.000 2.472 1153 E HA 0.074 4.424 4.350 0.001 0.000 0.200 1153 E C 1.236 177.796 176.600 -0.067 0.000 1.046 1153 E CA 0.682 57.046 56.400 -0.059 0.000 0.871 1153 E CB -0.192 29.468 29.700 -0.067 0.000 0.806 1153 E HN 0.476 nan 8.360 nan 0.000 0.533 1154 A N -1.167 121.595 122.820 -0.096 0.000 2.345 1154 A HA 0.390 4.711 4.320 0.001 0.000 0.225 1154 A C 1.212 178.756 177.584 -0.066 0.000 1.243 1154 A CA 0.193 52.168 52.037 -0.103 0.000 0.875 1154 A CB 0.459 19.351 19.000 -0.180 0.000 0.929 1154 A HN 0.105 nan 8.150 nan 0.000 0.502 1155 S N -1.752 113.926 115.700 -0.037 0.000 4.717 1155 S HA 0.088 4.559 4.470 0.001 0.000 0.185 1155 S C 0.114 174.722 174.600 0.014 0.000 1.300 1155 S CA 0.222 58.416 58.200 -0.009 0.000 1.028 1155 S CB -0.357 62.843 63.200 -0.000 0.000 2.069 1155 S HN 0.358 nan 8.310 nan 0.000 0.651 1156 D N 2.133 122.558 120.400 0.041 0.000 2.103 1156 D HA 0.126 4.766 4.640 0.001 0.000 0.199 1156 D C 0.916 177.303 176.300 0.145 0.000 0.978 1156 D CA 1.114 55.168 54.000 0.090 0.000 0.829 1156 D CB -0.636 40.235 40.800 0.119 0.000 0.981 1156 D HN 0.683 nan 8.370 nan 0.000 0.464 1157 A N 1.164 124.061 122.820 0.127 0.000 2.062 1157 A HA -0.146 4.174 4.320 0.001 0.000 0.330 1157 A C -0.216 177.543 177.584 0.291 0.000 0.781 1157 A CA 0.768 52.898 52.037 0.155 0.000 1.457 1157 A CB -1.153 17.885 19.000 0.064 0.000 0.630 1157 A HN 0.277 nan 8.150 nan 0.000 0.241 1158 F N 2.758 122.794 119.950 0.144 0.000 2.629 1158 F HA 0.775 5.303 4.527 0.001 0.000 0.316 1158 F C -0.072 175.835 175.800 0.178 0.000 1.081 1158 F CA -1.273 56.833 58.000 0.177 0.000 0.954 1158 F CB 1.576 40.722 39.000 0.244 0.000 1.337 1158 F HN 0.573 nan 8.300 nan 0.000 0.474 1159 R N 3.745 123.665 120.500 -0.966 0.000 2.422 1159 R HA 0.594 4.934 4.340 0.001 0.000 0.307 1159 R C -1.960 173.753 176.300 -0.979 0.000 1.004 1159 R CA -0.386 55.265 56.100 -0.749 0.000 0.882 1159 R CB 0.929 31.003 30.300 -0.378 0.000 1.164 1159 R HN 0.601 nan 8.270 nan 0.000 0.489 1160 V N 0.753 120.287 119.914 -0.633 0.000 3.019 1160 V HA 0.603 4.723 4.120 0.001 0.000 0.317 1160 V C -0.106 175.758 176.094 -0.383 0.000 1.094 1160 V CA -0.982 61.100 62.300 -0.363 0.000 1.000 1160 V CB 2.312 34.094 31.823 -0.067 0.000 1.060 1160 V HN 0.606 nan 8.190 nan 0.000 0.443 1161 H N 2.391 121.436 119.070 -0.042 0.000 2.504 1161 H HA 0.551 5.108 4.556 0.001 0.000 0.322 1161 H C -0.987 174.326 175.328 -0.026 0.000 1.055 1161 H CA -0.469 55.564 56.048 -0.025 0.000 1.231 1161 H CB 1.880 31.667 29.762 0.042 0.000 1.417 1161 H HN 0.377 nan 8.280 nan 0.000 0.472 1162 I N 2.058 122.652 120.570 0.041 0.000 2.525 1162 I HA 0.024 4.194 4.170 0.001 0.000 0.301 1162 I C 0.764 176.848 176.117 -0.055 0.000 0.992 1162 I CA -0.724 60.567 61.300 -0.015 0.000 1.162 1162 I CB 1.530 39.510 38.000 -0.033 0.000 1.332 1162 I HN 0.608 nan 8.210 nan 0.000 0.458 1163 C N 4.858 124.106 119.300 -0.086 0.000 2.653 1163 C HA 0.369 4.830 4.460 0.001 0.000 0.421 1163 C C 1.716 176.618 174.990 -0.146 0.000 1.334 1163 C CA -0.056 58.893 59.018 -0.114 0.000 1.885 1163 C CB -0.124 27.557 27.740 -0.099 0.000 2.645 1163 C HN 0.985 nan 8.230 nan 0.000 0.601 1164 G N 4.607 113.310 108.800 -0.160 0.000 2.985 1164 G HA2 0.112 4.072 3.960 0.001 0.000 0.209 1164 G HA3 0.112 4.072 3.960 0.001 0.000 0.209 1164 G C 0.998 175.887 174.900 -0.018 0.000 1.165 1164 G CA 0.364 45.397 45.100 -0.113 0.000 0.776 1164 G HN 0.707 nan 8.290 nan 0.000 0.541 1165 I N 0.522 121.070 120.570 -0.037 0.000 3.196 1165 I HA 0.058 4.228 4.170 0.001 0.000 0.248 1165 I C 2.803 178.939 176.117 0.032 0.000 1.105 1165 I CA 0.794 62.108 61.300 0.022 0.000 1.482 1165 I CB -0.779 37.223 38.000 0.004 0.000 1.400 1165 I HN 0.308 nan 8.210 nan 0.000 0.464 1166 C N 0.363 119.642 119.300 -0.035 0.000 2.518 1166 C HA 0.555 5.015 4.460 0.001 0.000 0.283 1166 C C 1.830 176.717 174.990 -0.171 0.000 1.351 1166 C CA 0.433 59.431 59.018 -0.033 0.000 1.745 1166 C CB -0.002 27.728 27.740 -0.016 0.000 2.107 1166 C HN 0.755 nan 8.230 nan 0.000 0.502 1167 G N 0.976 109.617 108.800 -0.266 0.000 2.163 1167 G HA2 -0.126 3.834 3.960 0.001 0.000 0.213 1167 G HA3 -0.126 3.834 3.960 0.001 0.000 0.213 1167 G C -0.178 174.565 174.900 -0.262 0.000 0.991 1167 G CA 0.297 45.142 45.100 -0.425 0.000 0.653 1167 G HN 0.622 nan 8.290 nan 0.000 0.518 1168 L N -0.662 120.468 121.223 -0.155 0.000 2.440 1168 L HA 0.681 5.021 4.340 0.001 0.000 0.262 1168 L C 1.776 178.616 176.870 -0.049 0.000 1.072 1168 L CA -1.125 53.655 54.840 -0.101 0.000 0.798 1168 L CB 0.607 42.631 42.059 -0.059 0.000 1.307 1168 L HN 0.002 nan 8.230 nan 0.000 0.475 1169 M N -0.188 119.409 119.600 -0.005 0.000 2.652 1169 M HA 0.013 4.494 4.480 0.001 0.000 0.226 1169 M C 1.172 177.503 176.300 0.051 0.000 1.244 1169 M CA 0.178 55.503 55.300 0.042 0.000 0.986 1169 M CB -0.353 32.295 32.600 0.081 0.000 1.666 1169 M HN 0.709 nan 8.290 nan 0.000 0.460 1170 T N -0.541 114.029 114.554 0.027 0.000 2.708 1170 T HA -0.072 4.278 4.350 0.001 0.000 0.266 1170 T C 0.880 175.606 174.700 0.042 0.000 1.037 1170 T CA 0.681 62.798 62.100 0.029 0.000 1.146 1170 T CB -0.311 68.564 68.868 0.011 0.000 0.865 1170 T HN 0.189 nan 8.240 nan 0.000 0.435 1171 V N 3.309 123.252 119.914 0.048 0.000 2.832 1171 V HA -0.123 3.997 4.120 0.001 0.000 0.284 1171 V C 0.449 176.581 176.094 0.064 0.000 0.997 1171 V CA 0.033 62.370 62.300 0.063 0.000 1.196 1171 V CB -1.445 30.431 31.823 0.089 0.000 0.832 1171 V HN 0.356 nan 8.190 nan 0.000 0.453 1172 I N 5.019 125.609 120.570 0.033 0.000 2.624 1172 I HA 0.085 4.255 4.170 0.001 0.000 0.307 1172 I C 1.305 177.393 176.117 -0.048 0.000 1.191 1172 I CA 0.764 62.066 61.300 0.004 0.000 1.708 1172 I CB -0.045 37.949 38.000 -0.010 0.000 1.521 1172 I HN 0.689 nan 8.210 nan 0.000 0.805 1173 A N 6.609 129.394 122.820 -0.059 0.000 2.770 1173 A HA 0.057 4.377 4.320 0.001 0.000 0.292 1173 A C 0.896 178.300 177.584 -0.300 0.000 1.604 1173 A CA -0.217 51.684 52.037 -0.227 0.000 1.271 1173 A CB -0.696 18.160 19.000 -0.239 0.000 1.075 1173 A HN 0.595 nan 8.150 nan 0.000 0.573 1174 K N 2.632 122.797 120.400 -0.391 0.000 2.715 1174 K HA 0.175 4.495 4.320 0.001 0.000 0.248 1174 K C 0.114 176.472 176.600 -0.404 0.000 1.276 1174 K CA -0.082 56.021 56.287 -0.307 0.000 1.209 1174 K CB -0.258 32.104 32.500 -0.230 0.000 1.509 1174 K HN 0.753 nan 8.250 nan 0.000 0.261 1175 L N 1.183 122.188 121.223 -0.364 0.000 2.474 1175 L HA -0.087 4.254 4.340 0.001 0.000 0.259 1175 L C 1.361 178.142 176.870 -0.149 0.000 1.232 1175 L CA 0.959 55.609 54.840 -0.317 0.000 0.821 1175 L CB 0.275 42.253 42.059 -0.135 0.000 1.108 1175 L HN 0.768 nan 8.230 nan 0.000 0.495 1176 N N -0.777 117.863 118.700 -0.100 0.000 1.710 1176 N HA -0.357 4.383 4.740 0.001 0.000 0.213 1176 N C 0.884 176.315 175.510 -0.131 0.000 1.023 1176 N CA 1.881 54.884 53.050 -0.077 0.000 4.075 1176 N CB -1.193 37.268 38.487 -0.043 0.000 0.686 1176 N HN 0.792 nan 8.380 nan 0.000 0.276 1177 H N 1.027 120.037 119.070 -0.101 0.000 2.539 1177 H HA 0.196 4.753 4.556 0.001 0.000 0.267 1177 H C 0.883 176.140 175.328 -0.120 0.000 0.982 1177 H CA 1.051 57.045 56.048 -0.089 0.000 1.146 1177 H CB -0.379 29.334 29.762 -0.081 0.000 1.382 1177 H HN 0.610 nan 8.280 nan 0.000 0.577 1178 N N 0.091 118.722 118.700 -0.115 0.000 2.965 1178 N HA -0.206 4.534 4.740 0.001 0.000 0.232 1178 N C -0.360 175.014 175.510 -0.228 0.000 0.913 1178 N CA 0.346 53.309 53.050 -0.144 0.000 0.981 1178 N CB -0.485 38.010 38.487 0.014 0.000 1.077 1178 N HN 0.384 nan 8.380 nan 0.000 0.589 1179 Q N -0.784 118.857 119.800 -0.265 0.000 2.417 1179 Q HA 0.348 4.689 4.340 0.001 0.000 0.241 1179 Q C 0.213 175.916 176.000 -0.496 0.000 1.008 1179 Q CA 0.623 56.305 55.803 -0.202 0.000 0.901 1179 Q CB 0.452 29.115 28.738 -0.125 0.000 1.259 1179 Q HN 0.277 nan 8.270 nan 0.000 0.489 1180 F N -0.710 119.198 119.950 -0.071 0.000 1.901 1180 F HA 0.079 4.606 4.527 0.001 0.000 0.239 1180 F C -0.262 175.489 175.800 -0.083 0.000 1.133 1180 F CA 0.154 58.091 58.000 -0.105 0.000 1.271 1180 F CB 0.179 39.102 39.000 -0.130 0.000 1.652 1180 F HN 0.676 nan 8.300 nan 0.000 0.543 1181 E N 0.957 121.238 120.200 0.135 0.000 7.519 1181 E HA -0.351 3.999 4.350 0.001 0.000 0.462 1181 E C -1.035 175.585 176.600 0.034 0.000 0.413 1181 E CA 0.561 56.992 56.400 0.051 0.000 0.763 1181 E CB -1.155 28.558 29.700 0.022 0.000 0.955 1181 E HN 0.402 nan 8.360 nan 0.000 0.355 1182 C N 6.454 125.761 119.300 0.011 0.000 2.250 1182 C HA 0.265 4.725 4.460 0.001 0.000 0.380 1182 C C 0.605 175.596 174.990 0.001 0.000 1.075 1182 C CA -0.269 58.750 59.018 0.003 0.000 1.577 1182 C CB -0.945 26.787 27.740 -0.014 0.000 1.608 1182 C HN 0.489 nan 8.230 nan 0.000 0.477 1183 K N 2.982 123.384 120.400 0.004 0.000 2.110 1183 K HA 0.461 4.782 4.320 0.001 0.000 0.260 1183 K C 0.734 177.336 176.600 0.002 0.000 1.126 1183 K CA 0.496 56.784 56.287 0.001 0.000 1.005 1183 K CB -0.045 32.455 32.500 -0.000 0.000 1.336 1183 K HN 0.822 nan 8.250 nan 0.000 0.369 1184 G N 1.402 110.203 108.800 0.001 0.000 4.362 1184 G HA2 -0.137 3.824 3.960 0.001 0.000 0.220 1184 G HA3 -0.137 3.824 3.960 0.001 0.000 0.220 1184 G C 0.288 175.189 174.900 0.001 0.000 0.795 1184 G CA 0.092 45.193 45.100 0.002 0.000 0.920 1184 G HN 0.788 nan 8.290 nan 0.000 0.715 1185 C N -1.355 117.945 119.300 -0.001 0.000 4.008 1185 C HA 0.481 4.941 4.460 0.001 0.000 0.312 1185 C C 0.536 175.524 174.990 -0.003 0.000 2.149 1185 C CA 0.358 59.376 59.018 -0.001 0.000 1.586 1185 C CB -0.385 27.354 27.740 -0.001 0.000 3.087 1185 C HN 0.280 nan 8.230 nan 0.000 0.531 1186 D N 2.063 122.461 120.400 -0.004 0.000 2.837 1186 D HA -0.170 4.470 4.640 0.001 0.000 0.230 1186 D C -0.258 176.038 176.300 -0.007 0.000 1.152 1186 D CA 1.727 55.724 54.000 -0.004 0.000 0.736 1186 D CB -1.345 39.454 40.800 -0.002 0.000 1.084 1186 D HN 0.915 nan 8.370 nan 0.000 0.429 1187 N N 0.122 118.814 118.700 -0.013 0.000 2.499 1187 N HA 0.328 5.068 4.740 0.001 0.000 0.281 1187 N C 0.677 176.177 175.510 -0.016 0.000 1.098 1187 N CA -0.149 52.888 53.050 -0.022 0.000 0.979 1187 N CB 1.038 39.502 38.487 -0.038 0.000 1.121 1187 N HN -0.100 nan 8.380 nan 0.000 0.466 1188 K N 2.715 123.106 120.400 -0.015 0.000 2.313 1188 K HA 0.292 4.612 4.320 0.001 0.000 0.197 1188 K C 0.402 176.998 176.600 -0.006 0.000 1.061 1188 K CA 0.842 57.131 56.287 0.004 0.000 0.980 1188 K CB 0.287 32.792 32.500 0.008 0.000 0.888 1188 K HN 0.643 nan 8.250 nan 0.000 0.502 1189 I N -0.885 119.657 120.570 -0.046 0.000 4.225 1189 I HA 0.174 4.344 4.170 0.001 0.000 0.327 1189 I C -0.409 175.618 176.117 -0.149 0.000 1.422 1189 I CA -0.285 60.969 61.300 -0.077 0.000 1.150 1189 I CB 0.637 38.609 38.000 -0.047 0.000 1.192 1189 I HN -0.165 nan 8.210 nan 0.000 0.440 1190 D N 2.459 122.754 120.400 -0.176 0.000 2.485 1190 D HA 0.533 5.174 4.640 0.001 0.000 0.256 1190 D C -0.679 175.373 176.300 -0.413 0.000 1.141 1190 D CA -0.189 53.642 54.000 -0.281 0.000 0.942 1190 D CB 0.351 41.039 40.800 -0.186 0.000 1.003 1190 D HN 0.131 nan 8.370 nan 0.000 0.507 1191 I N 1.651 121.889 120.570 -0.552 0.000 2.689 1191 I HA 0.448 4.618 4.170 0.001 0.000 0.299 1191 I C -0.907 174.803 176.117 -0.678 0.000 1.059 1191 I CA -0.958 60.034 61.300 -0.513 0.000 1.055 1191 I CB 1.878 39.651 38.000 -0.378 0.000 1.243 1191 I HN 0.050 nan 8.210 nan 0.000 0.425 1192 Y N 2.548 122.789 120.300 -0.098 0.000 2.361 1192 Y HA 0.472 5.023 4.550 0.001 0.000 0.337 1192 Y C -0.406 175.419 175.900 -0.125 0.000 0.965 1192 Y CA -1.050 56.986 58.100 -0.106 0.000 1.091 1192 Y CB 1.991 40.394 38.460 -0.095 0.000 1.182 1192 Y HN 0.542 nan 8.280 nan 0.000 0.450 1193 Q N 4.410 124.200 119.800 -0.016 0.000 2.267 1193 Q HA 0.564 4.905 4.340 0.001 0.000 0.255 1193 Q C -0.627 175.214 176.000 -0.265 0.000 0.923 1193 Q CA -0.669 54.976 55.803 -0.264 0.000 0.925 1193 Q CB 1.780 30.276 28.738 -0.403 0.000 1.195 1193 Q HN 0.647 nan 8.270 nan 0.000 0.417 1194 I N -0.549 119.835 120.570 -0.311 0.000 3.170 1194 I HA 0.488 4.659 4.170 0.001 0.000 0.312 1194 I C -1.127 174.777 176.117 -0.354 0.000 1.085 1194 I CA -1.101 60.040 61.300 -0.265 0.000 0.999 1194 I CB 2.210 40.154 38.000 -0.093 0.000 1.233 1194 I HN 0.761 nan 8.210 nan 0.000 0.467 1195 H N 5.062 124.104 119.070 -0.045 0.000 2.645 1195 H HA 0.513 5.069 4.556 0.001 0.000 0.257 1195 H C -0.334 175.006 175.328 0.021 0.000 1.269 1195 H CA -0.311 55.718 56.048 -0.031 0.000 1.409 1195 H CB 1.121 30.869 29.762 -0.024 0.000 1.434 1195 H HN 0.616 nan 8.280 nan 0.000 0.505 1196 I N -0.538 120.127 120.570 0.158 0.000 2.797 1196 I HA 0.589 4.759 4.170 0.001 0.000 0.307 1196 I C -2.848 173.372 176.117 0.172 0.000 1.033 1196 I CA -2.966 58.421 61.300 0.145 0.000 1.071 1196 I CB 2.550 40.631 38.000 0.135 0.000 1.255 1196 I HN -0.011 nan 8.210 nan 0.000 0.445 1197 P HA -0.036 nan 4.420 nan 0.000 0.261 1197 P C 0.095 177.471 177.300 0.127 0.000 1.183 1197 P CA 0.477 63.645 63.100 0.114 0.000 0.761 1197 P CB 0.119 31.846 31.700 0.046 0.000 0.785 1198 Y N 5.320 125.663 120.300 0.071 0.000 2.151 1198 Y HA -0.343 4.207 4.550 0.001 0.000 0.284 1198 Y C 2.261 178.116 175.900 -0.076 0.000 1.166 1198 Y CA 2.392 60.474 58.100 -0.029 0.000 1.163 1198 Y CB -0.734 37.617 38.460 -0.182 0.000 0.974 1198 Y HN 0.455 nan 8.280 nan 0.000 0.511 1199 A N 0.335 123.203 122.820 0.081 0.000 1.927 1199 A HA -0.276 4.044 4.320 0.001 0.000 0.220 1199 A C 2.385 179.860 177.584 -0.182 0.000 1.185 1199 A CA 2.444 54.470 52.037 -0.018 0.000 0.639 1199 A CB -1.526 17.483 19.000 0.014 0.000 0.820 1199 A HN 0.663 nan 8.150 nan 0.000 0.451 1200 A N -0.632 122.048 122.820 -0.234 0.000 1.935 1200 A HA -0.022 4.298 4.320 0.001 0.000 0.214 1200 A C 2.083 179.276 177.584 -0.651 0.000 1.178 1200 A CA 1.616 53.377 52.037 -0.460 0.000 0.640 1200 A CB -0.382 18.357 19.000 -0.435 0.000 0.825 1200 A HN 0.418 nan 8.150 nan 0.000 0.447 1201 K N 0.409 120.580 120.400 -0.382 0.000 2.173 1201 K HA -0.176 4.145 4.320 0.001 0.000 0.207 1201 K C 1.719 178.151 176.600 -0.280 0.000 1.046 1201 K CA 1.465 57.613 56.287 -0.232 0.000 0.929 1201 K CB -0.526 31.883 32.500 -0.151 0.000 0.720 1201 K HN 0.454 nan 8.250 nan 0.000 0.453 1202 L N 0.943 121.930 121.223 -0.393 0.000 1.988 1202 L HA -0.203 4.137 4.340 0.001 0.000 0.207 1202 L C 2.750 179.515 176.870 -0.175 0.000 1.071 1202 L CA 1.472 56.161 54.840 -0.250 0.000 0.744 1202 L CB -0.909 41.028 42.059 -0.202 0.000 0.893 1202 L HN 0.293 nan 8.230 nan 0.000 0.433 1203 L N -0.373 120.688 121.223 -0.269 0.000 2.085 1203 L HA -0.302 4.038 4.340 0.001 0.000 0.218 1203 L C 2.259 179.097 176.870 -0.053 0.000 1.080 1203 L CA 2.112 56.816 54.840 -0.228 0.000 0.776 1203 L CB -0.832 40.989 42.059 -0.396 0.000 0.891 1203 L HN 0.088 nan 8.230 nan 0.000 0.437 1204 F N -0.807 119.126 119.950 -0.028 0.000 2.128 1204 F HA -0.143 4.384 4.527 0.001 0.000 0.295 1204 F C 2.656 178.447 175.800 -0.015 0.000 1.100 1204 F CA 0.976 58.967 58.000 -0.017 0.000 1.260 1204 F CB -0.389 38.601 39.000 -0.016 0.000 1.009 1204 F HN 0.136 nan 8.300 nan 0.000 0.476 1205 Q N 0.674 120.566 119.800 0.154 0.000 2.030 1205 Q HA -0.242 4.098 4.340 0.001 0.000 0.204 1205 Q C 1.958 177.990 176.000 0.055 0.000 0.986 1205 Q CA 1.845 57.695 55.803 0.078 0.000 0.843 1205 Q CB -0.387 28.372 28.738 0.034 0.000 0.904 1205 Q HN 0.486 nan 8.270 nan 0.000 0.420 1206 E N 0.475 120.694 120.200 0.032 0.000 2.171 1206 E HA -0.197 4.154 4.350 0.001 0.000 0.197 1206 E C 1.976 178.602 176.600 0.044 0.000 0.997 1206 E CA 0.863 57.278 56.400 0.026 0.000 0.810 1206 E CB -0.050 29.653 29.700 0.005 0.000 0.738 1206 E HN 0.322 nan 8.360 nan 0.000 0.467 1207 L N -0.219 121.048 121.223 0.073 0.000 2.095 1207 L HA -0.107 4.233 4.340 0.001 0.000 0.204 1207 L C 2.436 179.346 176.870 0.066 0.000 1.080 1207 L CA 0.775 55.664 54.840 0.082 0.000 0.759 1207 L CB -0.200 41.937 42.059 0.130 0.000 0.914 1207 L HN 0.240 nan 8.230 nan 0.000 0.439 1208 M N -0.620 119.022 119.600 0.071 0.000 2.159 1208 M HA -0.191 4.289 4.480 0.001 0.000 0.263 1208 M C 2.445 178.767 176.300 0.038 0.000 1.063 1208 M CA 1.866 57.195 55.300 0.048 0.000 1.110 1208 M CB -0.439 32.190 32.600 0.048 0.000 1.374 1208 M HN 0.295 nan 8.290 nan 0.000 0.411 1209 A N -0.041 122.802 122.820 0.038 0.000 1.873 1209 A HA -0.189 4.131 4.320 0.001 0.000 0.215 1209 A C 2.122 179.722 177.584 0.026 0.000 1.186 1209 A CA 1.698 53.752 52.037 0.029 0.000 0.616 1209 A CB -0.614 18.403 19.000 0.027 0.000 0.823 1209 A HN 0.481 nan 8.150 nan 0.000 0.442 1210 M N -1.289 118.329 119.600 0.029 0.000 2.279 1210 M HA -0.069 4.412 4.480 0.001 0.000 0.264 1210 M C 0.284 176.599 176.300 0.025 0.000 1.062 1210 M CA 1.275 56.590 55.300 0.026 0.000 1.099 1210 M CB -0.063 32.554 32.600 0.029 0.000 1.394 1210 M HN 0.538 nan 8.290 nan 0.000 0.426 1211 N N 0.990 119.706 118.700 0.028 0.000 2.846 1211 N HA -0.132 4.608 4.740 0.001 0.000 0.262 1211 N C -1.765 173.761 175.510 0.027 0.000 1.137 1211 N CA 0.421 53.486 53.050 0.025 0.000 0.666 1211 N CB -1.259 37.240 38.487 0.020 0.000 0.945 1211 N HN 0.422 nan 8.380 nan 0.000 0.567 1212 I N 1.715 122.304 120.570 0.032 0.000 2.586 1212 I HA 0.147 4.317 4.170 0.001 0.000 0.288 1212 I C 0.361 176.495 176.117 0.029 0.000 1.147 1212 I CA -0.695 60.624 61.300 0.031 0.000 1.047 1212 I CB 1.970 39.994 38.000 0.039 0.000 1.244 1212 I HN 0.312 nan 8.210 nan 0.000 0.429 1213 T N 3.589 118.153 114.554 0.018 0.000 2.743 1213 T HA 0.365 4.716 4.350 0.001 0.000 0.290 1213 T C -2.432 172.260 174.700 -0.014 0.000 0.908 1213 T CA -1.347 60.754 62.100 0.003 0.000 1.092 1213 T CB 0.060 68.932 68.868 0.007 0.000 0.882 1213 T HN 0.232 nan 8.240 nan 0.000 0.531 1214 P HA 0.411 nan 4.420 nan 0.000 0.294 1214 P C -0.526 176.630 177.300 -0.239 0.000 1.389 1214 P CA -0.718 62.300 63.100 -0.138 0.000 0.875 1214 P CB 0.711 32.308 31.700 -0.171 0.000 1.018 1215 R N 3.118 123.542 120.500 -0.126 0.000 2.255 1215 R HA 0.470 4.810 4.340 0.001 0.000 0.326 1215 R C -0.163 176.047 176.300 -0.150 0.000 0.986 1215 R CA -0.795 55.235 56.100 -0.118 0.000 0.847 1215 R CB 1.171 31.534 30.300 0.105 0.000 1.111 1215 R HN 0.458 nan 8.270 nan 0.000 0.452 1216 L N 4.888 125.919 121.223 -0.320 0.000 2.270 1216 L HA 0.323 4.663 4.340 0.001 0.000 0.286 1216 L C -0.803 175.897 176.870 -0.285 0.000 1.059 1216 L CA -0.455 54.232 54.840 -0.256 0.000 0.839 1216 L CB 0.073 41.974 42.059 -0.263 0.000 1.221 1216 L HN 0.476 nan 8.230 nan 0.000 0.431 1217 Y N 0.746 121.019 120.300 -0.044 0.000 2.331 1217 Y HA 0.116 4.667 4.550 0.001 0.000 0.338 1217 Y C 1.626 177.509 175.900 -0.028 0.000 0.976 1217 Y CA -0.484 57.606 58.100 -0.016 0.000 1.137 1217 Y CB 1.879 40.331 38.460 -0.013 0.000 1.172 1217 Y HN 0.597 nan 8.280 nan 0.000 0.478 1218 T N -2.414 112.184 114.554 0.073 0.000 3.055 1218 T HA -0.041 4.309 4.350 0.001 0.000 0.265 1218 T C 0.074 174.739 174.700 -0.059 0.000 1.111 1218 T CA 0.619 62.686 62.100 -0.056 0.000 1.118 1218 T CB -0.198 68.514 68.868 -0.259 0.000 0.909 1218 T HN 0.613 nan 8.240 nan 0.000 0.501 1219 D N -0.296 120.109 120.400 0.009 0.000 2.457 1219 D HA 0.359 4.999 4.640 0.001 0.000 0.240 1219 D C 0.890 177.200 176.300 0.016 0.000 1.041 1219 D CA -1.072 52.923 54.000 -0.007 0.000 0.861 1219 D CB 1.599 42.382 40.800 -0.027 0.000 1.394 1219 D HN -0.200 nan 8.370 nan 0.000 0.473 1220 R N 0.806 121.307 120.500 0.001 0.000 2.088 1220 R HA -0.069 4.271 4.340 0.001 0.000 0.232 1220 R C 0.434 176.730 176.300 -0.006 0.000 1.136 1220 R CA 0.787 56.887 56.100 0.001 0.000 0.926 1220 R CB -0.872 29.428 30.300 -0.001 0.000 0.837 1220 R HN 0.569 nan 8.270 nan 0.000 0.429 1221 S N 1.329 117.026 115.700 -0.005 0.000 4.448 1221 S HA -0.155 4.315 4.470 0.001 0.000 0.534 1221 S C 1.105 175.696 174.600 -0.014 0.000 1.024 1221 S CA 0.148 58.345 58.200 -0.005 0.000 0.994 1221 S CB -0.009 63.189 63.200 -0.002 0.000 0.900 1221 S HN 0.210 nan 8.310 nan 0.000 0.467 1222 R N 2.284 122.784 120.500 0.000 0.000 2.395 1222 R HA -0.074 4.266 4.340 0.001 0.000 0.203 1222 R C 0.844 177.159 176.300 0.026 0.000 1.076 1222 R CA 0.833 56.935 56.100 0.002 0.000 1.059 1222 R CB -0.867 29.439 30.300 0.010 0.000 0.860 1222 R HN 0.823 nan 8.270 nan 0.000 0.476 1223 D N -1.111 119.301 120.400 0.021 0.000 4.259 1223 D HA -0.337 4.303 4.640 0.001 0.000 0.150 1223 D C 0.512 176.880 176.300 0.113 0.000 0.731 1223 D CA 2.090 56.111 54.000 0.036 0.000 1.138 1223 D CB -0.956 39.845 40.800 0.001 0.000 0.540 1223 D HN 0.203 nan 8.370 nan 0.000 0.507 1224 F N 0.000 119.932 119.950 -0.031 0.000 2.286 1224 F HA 0.000 4.527 4.527 0.001 0.000 0.279 1224 F CA 0.000 57.987 58.000 -0.022 0.000 1.383 1224 F CB 0.000 38.988 39.000 -0.020 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574