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 2b8k_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGXXXX XXXXXKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEEA HDFNMKLAIN 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 0.000 176.285 176.300 -0.026 0.000 2.045 20 D CA 0.000 53.990 54.000 -0.016 0.000 0.868 20 D CB 0.000 40.795 40.800 -0.008 0.000 0.688 21 E N 0.004 120.178 120.200 -0.043 0.000 2.431 21 E HA 0.035 4.385 4.350 -0.001 0.000 0.208 21 E C -0.256 176.293 176.600 -0.084 0.000 1.299 21 E CA 0.259 56.616 56.400 -0.073 0.000 1.080 21 E CB -0.122 29.516 29.700 -0.102 0.000 1.114 21 E HN 0.090 nan 8.360 nan 0.000 0.489 22 S N -0.570 115.103 115.700 -0.045 0.000 2.586 22 S HA 0.377 4.846 4.470 -0.001 0.000 0.218 22 S C -0.532 174.063 174.600 -0.009 0.000 0.761 22 S CA -0.158 58.024 58.200 -0.029 0.000 0.999 22 S CB 0.872 64.053 63.200 -0.032 0.000 1.634 22 S HN 0.522 nan 8.310 nan 0.000 0.482 23 A N 2.454 125.272 122.820 -0.003 0.000 2.452 23 A HA 1.006 5.326 4.320 -0.001 0.000 0.285 23 A C -2.485 175.103 177.584 0.006 0.000 1.209 23 A CA -1.784 50.256 52.037 0.006 0.000 0.940 23 A CB 0.149 19.154 19.000 0.009 0.000 1.440 23 A HN 0.262 nan 8.150 nan 0.000 0.480 24 P HA 0.345 nan 4.420 nan 0.000 0.285 24 P C -0.920 176.383 177.300 0.005 0.000 1.282 24 P CA 0.241 63.346 63.100 0.008 0.000 0.778 24 P CB 0.356 32.070 31.700 0.023 0.000 1.222 25 I N -0.817 119.754 120.570 0.002 0.000 2.529 25 I HA 0.196 4.365 4.170 -0.001 0.000 0.284 25 I C 0.792 176.929 176.117 0.034 0.000 1.088 25 I CA -0.662 60.646 61.300 0.012 0.000 1.062 25 I CB 1.782 39.765 38.000 -0.028 0.000 1.218 25 I HN 0.275 nan 8.210 nan 0.000 0.442 26 T N 1.848 116.433 114.554 0.052 0.000 2.788 26 T HA 0.535 4.884 4.350 -0.001 0.000 0.280 26 T C 1.379 176.129 174.700 0.083 0.000 0.984 26 T CA 0.070 62.207 62.100 0.062 0.000 0.972 26 T CB 1.605 70.514 68.868 0.068 0.000 1.039 26 T HN 0.580 nan 8.240 nan 0.000 0.530 27 A N 0.621 123.495 122.820 0.089 0.000 1.848 27 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 27 A C 2.188 179.849 177.584 0.128 0.000 1.220 27 A CA 2.358 54.459 52.037 0.107 0.000 0.645 27 A CB -1.750 17.332 19.000 0.136 0.000 0.842 27 A HN 1.079 nan 8.150 nan 0.000 0.451 28 E N 0.166 120.479 120.200 0.189 0.000 2.324 28 E HA -0.261 4.088 4.350 -0.001 0.000 0.205 28 E C 1.422 178.179 176.600 0.262 0.000 1.031 28 E CA 1.894 58.460 56.400 0.277 0.000 0.836 28 E CB -0.323 29.516 29.700 0.232 0.000 0.742 28 E HN 0.641 nan 8.360 nan 0.000 0.491 29 D N -0.757 119.752 120.400 0.181 0.000 2.084 29 D HA -0.146 4.493 4.640 -0.001 0.000 0.196 29 D C 2.021 178.443 176.300 0.203 0.000 0.985 29 D CA 1.781 55.890 54.000 0.182 0.000 0.826 29 D CB -0.424 40.457 40.800 0.135 0.000 0.978 29 D HN 0.343 nan 8.370 nan 0.000 0.456 30 S N 0.663 116.449 115.700 0.143 0.000 2.393 30 S HA -0.285 4.185 4.470 -0.001 0.000 0.234 30 S C 1.979 176.630 174.600 0.084 0.000 1.064 30 S CA 1.486 59.750 58.200 0.107 0.000 1.088 30 S CB -1.522 61.638 63.200 -0.067 0.000 0.939 30 S HN 0.460 nan 8.310 nan 0.000 0.448 31 W N 2.213 123.610 121.300 0.160 0.000 2.302 31 W HA -0.201 4.459 4.660 -0.001 0.000 0.320 31 W C 3.123 179.769 176.519 0.212 0.000 1.241 31 W CA 1.045 58.480 57.345 0.149 0.000 1.264 31 W CB -0.821 28.720 29.460 0.135 0.000 1.154 31 W HN 0.480 nan 8.180 nan 0.000 0.483 32 A N 0.072 123.165 122.820 0.455 0.000 1.915 32 A HA -0.291 4.028 4.320 -0.001 0.000 0.220 32 A C 1.928 179.726 177.584 0.356 0.000 1.198 32 A CA 2.770 55.025 52.037 0.364 0.000 0.647 32 A CB -1.315 17.857 19.000 0.287 0.000 0.825 32 A HN 0.158 nan 8.150 nan 0.000 0.456 33 V N 0.096 120.214 119.914 0.340 0.000 2.223 33 V HA -0.305 3.814 4.120 -0.001 0.000 0.244 33 V C 2.423 178.727 176.094 0.350 0.000 1.045 33 V CA 2.129 64.647 62.300 0.364 0.000 1.000 33 V CB -0.774 31.297 31.823 0.413 0.000 0.635 33 V HN 0.608 nan 8.190 nan 0.000 0.445 34 I N 0.062 120.783 120.570 0.251 0.000 2.143 34 I HA -0.339 3.830 4.170 -0.001 0.000 0.245 34 I C 2.657 178.918 176.117 0.239 0.000 1.068 34 I CA 1.912 63.289 61.300 0.129 0.000 1.326 34 I CB -0.544 37.550 38.000 0.157 0.000 1.028 34 I HN 0.297 nan 8.210 nan 0.000 0.412 35 S N 0.541 116.533 115.700 0.486 0.000 2.369 35 S HA -0.303 4.166 4.470 -0.001 0.000 0.225 35 S C 2.233 177.106 174.600 0.455 0.000 1.043 35 S CA 1.740 60.347 58.200 0.680 0.000 1.074 35 S CB -0.521 62.992 63.200 0.522 0.000 0.962 35 S HN 0.608 nan 8.310 nan 0.000 0.433 36 A N 0.843 123.885 122.820 0.371 0.000 1.978 36 A HA -0.133 4.187 4.320 -0.001 0.000 0.220 36 A C 1.864 179.628 177.584 0.301 0.000 1.170 36 A CA 1.616 53.861 52.037 0.347 0.000 0.636 36 A CB -0.842 18.390 19.000 0.386 0.000 0.810 36 A HN 0.486 nan 8.150 nan 0.000 0.448 37 F N 0.091 119.973 119.950 -0.114 0.000 2.026 37 F HA -0.172 4.354 4.527 -0.001 0.000 0.296 37 F C 1.921 177.407 175.800 -0.524 0.000 1.133 37 F CA 1.478 59.022 58.000 -0.761 0.000 1.188 37 F CB -1.048 37.230 39.000 -1.204 0.000 0.968 37 F HN 0.259 nan 8.300 nan 0.000 0.476 38 F N 0.293 120.125 119.950 -0.197 0.000 2.365 38 F HA -0.089 4.438 4.527 -0.001 0.000 0.300 38 F C 2.449 178.221 175.800 -0.047 0.000 1.090 38 F CA 0.773 58.644 58.000 -0.215 0.000 1.408 38 F CB -0.510 38.520 39.000 0.049 0.000 1.060 38 F HN -0.102 nan 8.300 nan 0.000 0.534 39 R N 0.372 120.992 120.500 0.199 0.000 2.094 39 R HA -0.232 4.107 4.340 -0.001 0.000 0.239 39 R C 2.158 178.525 176.300 0.113 0.000 1.137 39 R CA 2.070 58.275 56.100 0.175 0.000 0.943 39 R CB -0.491 29.927 30.300 0.197 0.000 0.850 39 R HN 0.389 nan 8.270 nan 0.000 0.433 40 E N 0.306 120.556 120.200 0.084 0.000 2.140 40 E HA -0.080 4.269 4.350 -0.001 0.000 0.191 40 E C 1.567 178.164 176.600 -0.006 0.000 0.973 40 E CA 0.402 56.847 56.400 0.076 0.000 0.829 40 E CB 0.349 30.148 29.700 0.164 0.000 0.781 40 E HN 0.081 nan 8.360 nan 0.000 0.466 41 K N 0.342 120.643 120.400 -0.166 0.000 1.965 41 K HA 0.065 4.385 4.320 -0.001 0.000 0.214 41 K C 0.919 177.445 176.600 -0.125 0.000 1.042 41 K CA 1.234 57.360 56.287 -0.267 0.000 0.950 41 K CB -0.615 31.390 32.500 -0.825 0.000 0.733 41 K HN 0.276 nan 8.250 nan 0.000 0.441 42 G N 0.204 108.972 108.800 -0.054 0.000 2.712 42 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.686 42 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.686 42 G C 0.347 175.261 174.900 0.024 0.000 1.181 42 G CA -0.358 44.762 45.100 0.034 0.000 0.762 42 G HN 0.159 nan 8.290 nan 0.000 0.641 43 L N 0.550 121.779 121.223 0.010 0.000 2.456 43 L HA 0.000 4.340 4.340 -0.001 0.000 0.224 43 L C 2.452 179.307 176.870 -0.025 0.000 1.148 43 L CA 1.395 56.219 54.840 -0.026 0.000 0.825 43 L CB -0.494 41.507 42.059 -0.096 0.000 0.937 43 L HN 0.725 nan 8.230 nan 0.000 0.450 44 V N -4.743 115.161 119.914 -0.017 0.000 3.542 44 V HA 0.103 4.222 4.120 -0.001 0.000 0.296 44 V C 2.138 178.223 176.094 -0.016 0.000 1.364 44 V CA 0.317 62.608 62.300 -0.015 0.000 1.118 44 V CB -0.267 31.557 31.823 0.001 0.000 0.972 44 V HN 0.422 nan 8.190 nan 0.000 0.430 45 S N 3.047 118.728 115.700 -0.032 0.000 2.433 45 S HA -0.515 3.955 4.470 -0.001 0.000 0.270 45 S C 1.936 176.530 174.600 -0.010 0.000 1.068 45 S CA 2.812 60.993 58.200 -0.032 0.000 1.375 45 S CB -1.396 61.757 63.200 -0.077 0.000 1.255 45 S HN 0.878 nan 8.310 nan 0.000 0.442 46 Q N 0.792 120.574 119.800 -0.029 0.000 2.078 46 Q HA -0.385 3.954 4.340 -0.001 0.000 0.222 46 Q C 2.175 178.190 176.000 0.024 0.000 1.073 46 Q CA 2.032 57.825 55.803 -0.016 0.000 0.926 46 Q CB -1.106 27.610 28.738 -0.037 0.000 1.054 46 Q HN 0.642 nan 8.270 nan 0.000 0.450 47 Q N 0.604 120.417 119.800 0.022 0.000 2.156 47 Q HA -0.165 4.175 4.340 -0.001 0.000 0.211 47 Q C 2.292 178.336 176.000 0.073 0.000 0.995 47 Q CA 1.889 57.720 55.803 0.048 0.000 0.877 47 Q CB -0.387 28.366 28.738 0.025 0.000 0.920 47 Q HN 0.542 nan 8.270 nan 0.000 0.416 48 L N 0.517 121.770 121.223 0.050 0.000 1.947 48 L HA -0.183 4.156 4.340 -0.001 0.000 0.211 48 L C 2.059 178.998 176.870 0.114 0.000 1.098 48 L CA 1.083 55.965 54.840 0.070 0.000 0.767 48 L CB -0.883 41.198 42.059 0.036 0.000 0.891 48 L HN 0.107 nan 8.230 nan 0.000 0.436 49 D N -0.093 120.353 120.400 0.075 0.000 2.242 49 D HA -0.288 4.351 4.640 -0.001 0.000 0.190 49 D C 2.231 178.581 176.300 0.084 0.000 1.012 49 D CA 2.102 56.143 54.000 0.068 0.000 0.875 49 D CB -0.346 40.492 40.800 0.063 0.000 0.922 49 D HN 0.257 nan 8.370 nan 0.000 0.448 50 S N -1.064 114.704 115.700 0.113 0.000 2.399 50 S HA -0.152 4.317 4.470 -0.001 0.000 0.231 50 S C 1.714 176.448 174.600 0.222 0.000 1.022 50 S CA 0.542 58.826 58.200 0.141 0.000 0.983 50 S CB -0.305 62.975 63.200 0.135 0.000 0.803 50 S HN 0.230 nan 8.310 nan 0.000 0.480 51 F N 3.077 123.083 119.950 0.094 0.000 2.128 51 F HA 0.037 4.563 4.527 -0.001 0.000 0.295 51 F C 2.065 177.952 175.800 0.145 0.000 1.100 51 F CA 1.491 59.578 58.000 0.145 0.000 1.260 51 F CB -0.832 38.214 39.000 0.078 0.000 1.009 51 F HN 0.210 nan 8.300 nan 0.000 0.476 52 N N 0.572 119.302 118.700 0.050 0.000 2.021 52 N HA -0.293 4.446 4.740 -0.001 0.000 0.198 52 N C 1.860 177.271 175.510 -0.165 0.000 1.041 52 N CA 1.851 54.845 53.050 -0.093 0.000 0.862 52 N CB -1.018 37.449 38.487 -0.032 0.000 1.048 52 N HN 0.347 nan 8.380 nan 0.000 0.427 53 Q N 0.081 119.806 119.800 -0.125 0.000 2.297 53 Q HA -0.082 4.257 4.340 -0.001 0.000 0.208 53 Q C 1.641 177.580 176.000 -0.102 0.000 0.981 53 Q CA 1.012 56.693 55.803 -0.205 0.000 0.876 53 Q CB -0.387 28.275 28.738 -0.128 0.000 0.921 53 Q HN 0.455 nan 8.270 nan 0.000 0.446 54 F N -1.549 118.300 119.950 -0.169 0.000 2.270 54 F HA 0.036 4.562 4.527 -0.001 0.000 0.295 54 F C 1.453 177.139 175.800 -0.190 0.000 1.087 54 F CA 0.661 58.582 58.000 -0.131 0.000 1.365 54 F CB -0.105 38.834 39.000 -0.101 0.000 1.056 54 F HN -0.055 nan 8.300 nan 0.000 0.506 55 V N 0.843 120.493 119.914 -0.440 0.000 2.231 55 V HA -0.227 3.892 4.120 -0.001 0.000 0.240 55 V C 2.168 178.077 176.094 -0.308 0.000 1.039 55 V CA 2.120 64.132 62.300 -0.481 0.000 0.998 55 V CB -0.708 30.848 31.823 -0.446 0.000 0.639 55 V HN 0.222 nan 8.190 nan 0.000 0.451 56 D N -0.742 119.550 120.400 -0.180 0.000 2.182 56 D HA -0.208 4.432 4.640 -0.001 0.000 0.193 56 D C 2.028 178.439 176.300 0.185 0.000 0.999 56 D CA 2.252 56.263 54.000 0.018 0.000 0.850 56 D CB -0.276 40.571 40.800 0.078 0.000 0.994 56 D HN 0.442 nan 8.370 nan 0.000 0.450 57 Y N 0.874 121.082 120.300 -0.154 0.000 2.226 57 Y HA 0.016 4.565 4.550 -0.001 0.000 0.275 57 Y C 2.866 178.661 175.900 -0.175 0.000 1.087 57 Y CA 0.523 58.545 58.100 -0.130 0.000 1.086 57 Y CB -1.354 37.062 38.460 -0.073 0.000 1.026 57 Y HN -0.085 nan 8.280 nan 0.000 0.484 58 T N 1.728 116.297 114.554 0.024 0.000 2.736 58 T HA -0.275 4.075 4.350 -0.001 0.000 0.265 58 T C 1.994 176.544 174.700 -0.249 0.000 1.031 58 T CA 1.988 64.038 62.100 -0.082 0.000 1.155 58 T CB -0.779 68.076 68.868 -0.022 0.000 0.849 58 T HN 0.123 nan 8.240 nan 0.000 0.471 59 L N 0.543 121.484 121.223 -0.471 0.000 2.083 59 L HA -0.048 4.291 4.340 -0.001 0.000 0.209 59 L C 2.550 179.298 176.870 -0.203 0.000 1.083 59 L CA 1.782 56.360 54.840 -0.436 0.000 0.752 59 L CB -0.713 41.047 42.059 -0.497 0.000 0.899 59 L HN 0.174 nan 8.230 nan 0.000 0.433 60 Q N -0.114 119.587 119.800 -0.165 0.000 1.967 60 Q HA -0.225 4.114 4.340 -0.001 0.000 0.202 60 Q C 1.763 177.696 176.000 -0.111 0.000 0.985 60 Q CA 2.271 57.998 55.803 -0.127 0.000 0.839 60 Q CB -0.398 28.274 28.738 -0.110 0.000 0.906 60 Q HN 0.497 nan 8.270 nan 0.000 0.423 61 D N -0.388 119.962 120.400 -0.084 0.000 2.280 61 D HA -0.180 4.459 4.640 -0.001 0.000 0.206 61 D C 1.451 177.711 176.300 -0.066 0.000 0.988 61 D CA 1.236 55.202 54.000 -0.058 0.000 0.886 61 D CB -0.045 40.738 40.800 -0.027 0.000 0.914 61 D HN 0.390 nan 8.370 nan 0.000 0.473 62 I N -0.558 119.949 120.570 -0.106 0.000 2.339 62 I HA -0.105 4.064 4.170 -0.001 0.000 0.245 62 I C 1.976 178.013 176.117 -0.132 0.000 1.096 62 I CA 0.176 61.399 61.300 -0.127 0.000 1.408 62 I CB 0.000 37.881 38.000 -0.199 0.000 1.092 62 I HN -0.050 nan 8.210 nan 0.000 0.423 63 I N 0.569 120.990 120.570 -0.248 0.000 2.530 63 I HA -0.221 3.949 4.170 -0.001 0.000 0.257 63 I C 0.743 176.862 176.117 0.004 0.000 1.179 63 I CA 1.052 62.201 61.300 -0.251 0.000 1.440 63 I CB -0.209 37.570 38.000 -0.368 0.000 1.087 63 I HN 0.238 nan 8.210 nan 0.000 0.440 64 C N 1.836 121.125 119.300 -0.020 0.000 2.250 64 C HA 0.429 4.888 4.460 -0.001 0.000 0.319 64 C C 0.949 175.933 174.990 -0.009 0.000 1.124 64 C CA -0.138 58.887 59.018 0.012 0.000 1.527 64 C CB -1.238 26.505 27.740 0.005 0.000 2.001 64 C HN 0.658 nan 8.230 nan 0.000 0.435 65 E N 1.398 121.590 120.200 -0.013 0.000 3.301 65 E HA 0.019 4.368 4.350 -0.001 0.000 0.279 65 E C 0.011 176.581 176.600 -0.050 0.000 1.174 65 E CA -0.108 56.268 56.400 -0.040 0.000 1.918 65 E CB -0.316 29.347 29.700 -0.062 0.000 2.084 65 E HN 0.389 nan 8.360 nan 0.000 0.951 66 D N 2.202 122.549 120.400 -0.089 0.000 2.463 66 D HA 0.090 4.729 4.640 -0.001 0.000 0.224 66 D C 1.188 177.417 176.300 -0.118 0.000 1.174 66 D CA 0.616 54.554 54.000 -0.103 0.000 0.829 66 D CB 0.713 41.428 40.800 -0.142 0.000 0.993 66 D HN 0.231 nan 8.370 nan 0.000 0.497 67 S N 1.059 116.713 115.700 -0.077 0.000 2.426 67 S HA -0.172 4.297 4.470 -0.001 0.000 0.220 67 S C 1.165 175.858 174.600 0.156 0.000 1.040 67 S CA 0.844 59.020 58.200 -0.040 0.000 1.094 67 S CB -1.690 61.567 63.200 0.095 0.000 1.072 67 S HN 0.299 nan 8.310 nan 0.000 0.415 68 T N 3.267 117.959 114.554 0.229 0.000 2.902 68 T HA 0.224 4.574 4.350 -0.001 0.000 0.317 68 T C 0.060 174.855 174.700 0.158 0.000 1.064 68 T CA 0.593 62.820 62.100 0.211 0.000 1.130 68 T CB -0.232 68.708 68.868 0.121 0.000 1.073 68 T HN 0.319 nan 8.240 nan 0.000 0.524 69 L N 1.314 122.642 121.223 0.174 0.000 2.171 69 L HA 0.681 5.021 4.340 -0.001 0.000 0.253 69 L C 0.100 177.085 176.870 0.193 0.000 1.054 69 L CA -1.292 53.675 54.840 0.211 0.000 0.927 69 L CB 1.350 43.602 42.059 0.322 0.000 1.513 69 L HN 0.523 nan 8.230 nan 0.000 0.471 91 S N 3.360 118.917 115.700 -0.240 0.000 2.709 91 S HA 0.894 5.363 4.470 -0.001 0.000 0.302 91 S C -1.220 173.134 174.600 -0.410 0.000 1.127 91 S CA -0.792 57.316 58.200 -0.152 0.000 0.905 91 S CB 2.362 65.547 63.200 -0.024 0.000 1.151 91 S HN 0.353 nan 8.310 nan 0.000 0.510 92 F N -0.144 119.844 119.950 0.064 0.000 2.547 92 F HA 0.747 5.273 4.527 -0.001 0.000 0.316 92 F C 0.821 176.646 175.800 0.042 0.000 1.121 92 F CA -0.447 57.594 58.000 0.069 0.000 0.911 92 F CB 2.158 41.223 39.000 0.108 0.000 1.179 92 F HN 0.996 nan 8.300 nan 0.000 0.443 93 G N 1.464 110.381 108.800 0.194 0.000 3.019 93 G HA2 0.315 4.274 3.960 -0.001 0.000 0.152 93 G HA3 0.315 4.274 3.960 -0.001 0.000 0.152 93 G C -0.597 174.359 174.900 0.093 0.000 1.320 93 G CA -0.804 44.364 45.100 0.114 0.000 1.013 93 G HN 0.540 nan 8.290 nan 0.000 0.593 94 K N -0.692 119.735 120.400 0.045 0.000 2.457 94 K HA 0.151 4.471 4.320 -0.001 0.000 0.269 94 K C -0.775 175.832 176.600 0.012 0.000 0.969 94 K CA 0.235 56.501 56.287 -0.036 0.000 0.921 94 K CB 0.217 32.639 32.500 -0.130 0.000 0.940 94 K HN 0.318 nan 8.250 nan 0.000 0.517 95 I N 2.176 122.688 120.570 -0.096 0.000 2.533 95 I HA 0.249 4.419 4.170 -0.001 0.000 0.290 95 I C -1.614 174.453 176.117 -0.083 0.000 1.056 95 I CA -0.958 60.354 61.300 0.019 0.000 1.057 95 I CB 1.029 39.022 38.000 -0.012 0.000 1.240 95 I HN 0.527 nan 8.210 nan 0.000 0.423 96 Y N 5.802 126.148 120.300 0.076 0.000 2.360 96 Y HA 0.512 5.062 4.550 -0.001 0.000 0.337 96 Y C -0.147 175.742 175.900 -0.019 0.000 1.039 96 Y CA -0.819 57.314 58.100 0.055 0.000 1.109 96 Y CB 1.852 40.399 38.460 0.144 0.000 1.201 96 Y HN 0.157 nan 8.280 nan 0.000 0.458 97 V N 3.449 123.400 119.914 0.062 0.000 2.293 97 V HA 0.249 4.368 4.120 -0.001 0.000 0.275 97 V C -0.079 175.982 176.094 -0.055 0.000 1.021 97 V CA -0.908 61.368 62.300 -0.040 0.000 0.815 97 V CB 0.817 32.589 31.823 -0.085 0.000 1.025 97 V HN 0.894 nan 8.190 nan 0.000 0.448 98 T N 2.456 116.945 114.554 -0.109 0.000 2.869 98 T HA 0.436 4.785 4.350 -0.001 0.000 0.295 98 T C 0.016 174.631 174.700 -0.141 0.000 0.987 98 T CA -0.765 61.264 62.100 -0.119 0.000 1.109 98 T CB 0.799 69.560 68.868 -0.178 0.000 0.932 98 T HN 0.519 nan 8.240 nan 0.000 0.518 99 K N 3.268 123.570 120.400 -0.163 0.000 2.380 99 K HA 0.171 4.490 4.320 -0.001 0.000 0.267 99 K C -2.325 174.200 176.600 -0.126 0.000 0.990 99 K CA -1.277 54.865 56.287 -0.240 0.000 0.946 99 K CB -0.229 31.994 32.500 -0.462 0.000 0.937 99 K HN 0.446 nan 8.250 nan 0.000 0.491 100 P HA -0.178 nan 4.420 nan 0.000 0.265 100 P C -0.629 176.686 177.300 0.024 0.000 1.151 100 P CA 1.268 64.322 63.100 -0.077 0.000 0.755 100 P CB 0.408 32.021 31.700 -0.146 0.000 0.756 101 M N 1.036 120.632 119.600 -0.006 0.000 2.755 101 M HA 0.500 4.979 4.480 -0.001 0.000 0.273 101 M C -1.324 174.997 176.300 0.036 0.000 1.278 101 M CA -1.012 54.299 55.300 0.018 0.000 0.819 101 M CB 2.424 35.021 32.600 -0.005 0.000 1.694 101 M HN -0.170 nan 8.290 nan 0.000 0.460 102 V N 1.532 121.480 119.914 0.056 0.000 2.532 102 V HA 0.287 4.406 4.120 -0.001 0.000 0.294 102 V C -1.260 174.864 176.094 0.050 0.000 1.036 102 V CA -0.719 61.621 62.300 0.065 0.000 0.876 102 V CB 1.703 33.590 31.823 0.106 0.000 1.012 102 V HN 0.856 nan 8.190 nan 0.000 0.432 103 N N 4.233 122.947 118.700 0.023 0.000 2.500 103 N HA 0.402 5.142 4.740 -0.001 0.000 0.236 103 N C -0.247 175.270 175.510 0.011 0.000 1.022 103 N CA -0.374 52.678 53.050 0.004 0.000 0.935 103 N CB 0.752 39.221 38.487 -0.031 0.000 1.147 103 N HN 0.850 nan 8.380 nan 0.000 0.512 104 E N 1.016 121.225 120.200 0.015 0.000 2.299 104 E HA 0.481 4.830 4.350 -0.001 0.000 0.265 104 E C -0.719 175.886 176.600 0.009 0.000 0.911 104 E CA -1.141 55.266 56.400 0.011 0.000 0.789 104 E CB 1.031 30.738 29.700 0.012 0.000 1.246 104 E HN 0.464 nan 8.360 nan 0.000 0.427 105 S N 0.741 116.445 115.700 0.007 0.000 2.603 105 S HA 0.110 4.580 4.470 -0.001 0.000 0.268 105 S C 0.274 174.880 174.600 0.009 0.000 1.317 105 S CA -0.460 57.745 58.200 0.008 0.000 1.012 105 S CB 0.374 63.580 63.200 0.009 0.000 0.926 105 S HN 0.741 nan 8.310 nan 0.000 0.539 106 D N 0.099 120.505 120.400 0.009 0.000 2.772 106 D HA -0.103 4.537 4.640 -0.001 0.000 0.233 106 D C 0.256 176.562 176.300 0.010 0.000 1.143 106 D CA 1.751 55.757 54.000 0.010 0.000 0.700 106 D CB -1.378 39.429 40.800 0.011 0.000 1.076 106 D HN 1.075 nan 8.370 nan 0.000 0.430 107 G N -2.776 106.031 108.800 0.011 0.000 2.430 107 G HA2 0.462 4.421 3.960 -0.001 0.000 0.300 107 G HA3 0.462 4.421 3.960 -0.001 0.000 0.300 107 G C 0.257 175.169 174.900 0.019 0.000 1.330 107 G CA -0.113 44.995 45.100 0.014 0.000 0.813 107 G HN 0.083 nan 8.290 nan 0.000 0.487 108 V N -0.584 119.348 119.914 0.030 0.000 5.415 108 V HA 0.581 4.700 4.120 -0.001 0.000 0.236 108 V C 0.880 177.000 176.094 0.043 0.000 1.312 108 V CA 0.513 62.836 62.300 0.037 0.000 0.815 108 V CB 0.328 32.183 31.823 0.053 0.000 1.250 108 V HN 0.804 nan 8.190 nan 0.000 0.345 109 T N -0.151 114.440 114.554 0.062 0.000 3.160 109 T HA 0.302 4.651 4.350 -0.001 0.000 0.344 109 T C -0.818 173.947 174.700 0.107 0.000 0.981 109 T CA -0.302 61.837 62.100 0.065 0.000 1.170 109 T CB 0.003 68.887 68.868 0.027 0.000 1.016 109 T HN 0.663 nan 8.240 nan 0.000 0.492 110 H N 2.365 121.454 119.070 0.032 0.000 2.771 110 H HA 0.547 5.102 4.556 -0.001 0.000 0.364 110 H C 0.412 175.783 175.328 0.071 0.000 1.133 110 H CA 0.089 56.166 56.048 0.048 0.000 1.423 110 H CB 0.655 30.442 29.762 0.042 0.000 1.425 110 H HN 0.709 nan 8.280 nan 0.000 0.606 111 A N 5.599 128.099 122.820 -0.533 0.000 2.376 111 A HA 0.308 4.627 4.320 -0.001 0.000 0.298 111 A C -0.509 176.912 177.584 -0.273 0.000 1.271 111 A CA -0.528 51.348 52.037 -0.269 0.000 0.926 111 A CB -0.638 18.282 19.000 -0.135 0.000 1.141 111 A HN 0.616 nan 8.150 nan 0.000 0.539 112 L N 3.255 124.448 121.223 -0.050 0.000 2.395 112 L HA 0.578 4.917 4.340 -0.001 0.000 0.269 112 L C -0.861 175.967 176.870 -0.070 0.000 1.133 112 L CA 0.270 55.153 54.840 0.072 0.000 0.812 112 L CB 0.274 42.406 42.059 0.121 0.000 1.125 112 L HN 0.606 nan 8.230 nan 0.000 0.452 113 Y N 4.158 124.406 120.300 -0.086 0.000 2.605 113 Y HA 0.483 5.032 4.550 -0.001 0.000 0.343 113 Y C -1.798 174.045 175.900 -0.095 0.000 1.036 113 Y CA -1.648 56.366 58.100 -0.142 0.000 1.065 113 Y CB 1.255 39.590 38.460 -0.209 0.000 1.288 113 Y HN 0.516 nan 8.280 nan 0.000 0.481 114 P HA -0.253 nan 4.420 nan 0.000 0.199 114 P C 1.108 178.328 177.300 -0.133 0.000 1.118 114 P CA 1.793 64.615 63.100 -0.463 0.000 0.913 114 P CB 0.268 31.653 31.700 -0.526 0.000 0.738 115 Q N 0.319 120.081 119.800 -0.064 0.000 2.388 115 Q HA -0.247 4.092 4.340 -0.001 0.000 0.216 115 Q C 2.130 178.145 176.000 0.024 0.000 0.997 115 Q CA 2.227 58.027 55.803 -0.005 0.000 0.923 115 Q CB -0.944 27.793 28.738 -0.001 0.000 0.922 115 Q HN 0.472 nan 8.270 nan 0.000 0.435 116 E N -1.972 118.254 120.200 0.042 0.000 2.190 116 E HA -0.011 4.338 4.350 -0.001 0.000 0.191 116 E C 1.661 178.304 176.600 0.072 0.000 0.978 116 E CA 0.601 57.039 56.400 0.063 0.000 0.839 116 E CB -0.123 29.631 29.700 0.089 0.000 0.787 116 E HN 0.460 nan 8.360 nan 0.000 0.473 117 A N 1.424 124.286 122.820 0.070 0.000 1.969 117 A HA -0.129 4.190 4.320 -0.001 0.000 0.218 117 A C 2.083 179.707 177.584 0.067 0.000 1.169 117 A CA 0.913 52.996 52.037 0.077 0.000 0.635 117 A CB -0.334 18.729 19.000 0.106 0.000 0.810 117 A HN 0.132 nan 8.150 nan 0.000 0.445 118 R N -0.452 120.083 120.500 0.058 0.000 2.081 118 R HA -0.053 4.286 4.340 -0.001 0.000 0.235 118 R C 1.952 178.315 176.300 0.106 0.000 1.131 118 R CA 1.455 57.600 56.100 0.075 0.000 0.960 118 R CB -0.502 29.836 30.300 0.064 0.000 0.856 118 R HN 0.516 nan 8.270 nan 0.000 0.436 119 L N -0.000 121.289 121.223 0.110 0.000 2.095 119 L HA -0.060 4.279 4.340 -0.001 0.000 0.204 119 L C 1.995 179.017 176.870 0.252 0.000 1.080 119 L CA 1.139 56.072 54.840 0.155 0.000 0.759 119 L CB -0.272 41.859 42.059 0.120 0.000 0.914 119 L HN 0.088 nan 8.230 nan 0.000 0.439 120 R N 0.462 121.056 120.500 0.157 0.000 2.335 120 R HA 0.078 4.417 4.340 -0.001 0.000 0.223 120 R C -0.208 176.000 176.300 -0.154 0.000 0.940 120 R CA -0.074 56.062 56.100 0.061 0.000 1.086 120 R CB -0.408 29.896 30.300 0.006 0.000 1.073 120 R HN 0.400 nan 8.270 nan 0.000 0.504 121 N N 1.231 119.936 118.700 0.009 0.000 2.688 121 N HA -0.204 4.536 4.740 -0.001 0.000 0.258 121 N C -0.421 175.040 175.510 -0.082 0.000 1.016 121 N CA -0.150 52.882 53.050 -0.030 0.000 0.747 121 N CB -0.610 37.839 38.487 -0.064 0.000 0.895 121 N HN 0.224 nan 8.380 nan 0.000 0.543 122 L N -0.723 120.492 121.223 -0.014 0.000 2.884 122 L HA 0.535 4.875 4.340 -0.001 0.000 0.199 122 L C 0.779 177.681 176.870 0.054 0.000 1.828 122 L CA -0.414 54.430 54.840 0.007 0.000 2.124 122 L CB 0.657 42.740 42.059 0.040 0.000 2.736 122 L HN -0.009 nan 8.230 nan 0.000 0.592 123 T N -0.675 113.931 114.554 0.087 0.000 3.176 123 T HA 0.139 4.488 4.350 -0.001 0.000 0.337 123 T C -0.974 173.821 174.700 0.159 0.000 0.957 123 T CA -0.334 61.835 62.100 0.115 0.000 1.092 123 T CB 0.124 69.040 68.868 0.080 0.000 1.018 123 T HN 0.247 nan 8.240 nan 0.000 0.473 124 Y N 4.606 124.932 120.300 0.043 0.000 2.790 124 Y HA 0.243 4.793 4.550 -0.001 0.000 0.348 124 Y C 1.075 176.996 175.900 0.035 0.000 1.183 124 Y CA -0.345 57.770 58.100 0.025 0.000 2.002 124 Y CB -0.866 37.588 38.460 -0.009 0.000 2.086 124 Y HN 0.649 nan 8.280 nan 0.000 0.412 125 S N 0.434 116.108 115.700 -0.043 0.000 2.496 125 S HA 0.895 5.364 4.470 -0.001 0.000 0.260 125 S C -0.023 174.494 174.600 -0.138 0.000 1.122 125 S CA -0.073 58.090 58.200 -0.062 0.000 1.019 125 S CB 1.011 64.222 63.200 0.018 0.000 1.226 125 S HN 0.553 nan 8.310 nan 0.000 0.502 126 S N -1.723 113.932 115.700 -0.075 0.000 2.611 126 S HA 0.613 5.082 4.470 -0.001 0.000 0.270 126 S C -0.354 174.198 174.600 -0.079 0.000 1.131 126 S CA -0.724 57.418 58.200 -0.096 0.000 0.826 126 S CB 0.374 63.495 63.200 -0.132 0.000 1.095 126 S HN 1.377 nan 8.310 nan 0.000 0.461 127 G N -0.047 108.674 108.800 -0.132 0.000 2.432 127 G HA2 0.552 4.511 3.960 -0.001 0.000 0.257 127 G HA3 0.552 4.511 3.960 -0.001 0.000 0.257 127 G C -1.270 173.456 174.900 -0.290 0.000 1.238 127 G CA -0.439 44.547 45.100 -0.190 0.000 0.838 127 G HN 0.563 nan 8.290 nan 0.000 0.547 128 L N 2.452 123.542 121.223 -0.223 0.000 2.318 128 L HA 0.465 4.804 4.340 -0.001 0.000 0.277 128 L C -0.603 176.326 176.870 0.099 0.000 1.008 128 L CA -0.540 54.222 54.840 -0.129 0.000 0.846 128 L CB 0.485 42.457 42.059 -0.145 0.000 1.220 128 L HN 0.447 nan 8.230 nan 0.000 0.423 129 F N 3.373 123.400 119.950 0.129 0.000 2.458 129 F HA 0.697 5.224 4.527 -0.001 0.000 0.336 129 F C -0.040 175.884 175.800 0.206 0.000 1.114 129 F CA -1.213 56.882 58.000 0.157 0.000 0.987 129 F CB 2.001 41.076 39.000 0.124 0.000 1.130 129 F HN -0.001 nan 8.300 nan 0.000 0.458 130 V N 2.219 122.350 119.914 0.363 0.000 2.709 130 V HA 0.164 4.284 4.120 -0.001 0.000 0.308 130 V C -0.635 175.605 176.094 0.244 0.000 1.062 130 V CA -1.096 61.382 62.300 0.296 0.000 0.901 130 V CB 2.136 34.102 31.823 0.238 0.000 1.003 130 V HN 0.577 nan 8.190 nan 0.000 0.425 131 D N 3.450 123.992 120.400 0.237 0.000 2.398 131 D HA 0.168 4.808 4.640 -0.001 0.000 0.250 131 D C 0.039 176.383 176.300 0.072 0.000 1.287 131 D CA 0.335 54.420 54.000 0.142 0.000 0.992 131 D CB 1.295 42.191 40.800 0.160 0.000 1.071 131 D HN 0.237 nan 8.370 nan 0.000 0.514 132 V N 3.093 123.010 119.914 0.006 0.000 2.732 132 V HA 0.156 4.275 4.120 -0.001 0.000 0.297 132 V C 0.679 176.690 176.094 -0.137 0.000 1.060 132 V CA -0.246 61.962 62.300 -0.152 0.000 1.038 132 V CB 1.190 32.917 31.823 -0.159 0.000 1.003 132 V HN 0.254 nan 8.190 nan 0.000 0.481 133 K N 4.126 124.406 120.400 -0.200 0.000 2.426 133 K HA 0.491 4.811 4.320 -0.001 0.000 0.254 133 K C -0.563 175.967 176.600 -0.118 0.000 0.936 133 K CA -0.835 55.380 56.287 -0.120 0.000 0.801 133 K CB 2.131 34.581 32.500 -0.085 0.000 1.139 133 K HN 0.745 nan 8.250 nan 0.000 0.424 165 V N 2.522 122.307 119.914 -0.216 0.000 2.769 165 V HA 0.465 4.584 4.120 -0.001 0.000 0.312 165 V C -0.691 175.463 176.094 0.100 0.000 1.061 165 V CA -0.838 61.403 62.300 -0.098 0.000 0.931 165 V CB 1.499 33.345 31.823 0.039 0.000 1.010 165 V HN 0.217 nan 8.190 nan 0.000 0.433 166 F N 5.120 125.102 119.950 0.053 0.000 2.427 166 F HA 0.624 5.151 4.527 -0.001 0.000 0.352 166 F C 0.110 176.067 175.800 0.262 0.000 1.100 166 F CA -0.900 57.335 58.000 0.392 0.000 1.191 166 F CB 0.574 39.777 39.000 0.339 0.000 1.128 166 F HN 0.327 nan 8.300 nan 0.000 0.533 167 I N 6.647 126.989 120.570 -0.380 0.000 2.867 167 I HA 0.359 4.528 4.170 -0.001 0.000 0.282 167 I C 0.307 176.086 176.117 -0.564 0.000 1.437 167 I CA -0.380 60.702 61.300 -0.363 0.000 0.918 167 I CB 0.404 38.373 38.000 -0.052 0.000 1.612 167 I HN 0.912 nan 8.210 nan 0.000 0.592 168 G N 3.363 111.559 108.800 -1.007 0.000 2.806 168 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.236 168 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.236 168 G C -0.497 174.179 174.900 -0.374 0.000 1.387 168 G CA -0.581 44.172 45.100 -0.579 0.000 0.884 168 G HN 0.548 nan 8.290 nan 0.000 0.560 169 R N -1.319 119.100 120.500 -0.135 0.000 2.686 169 R HA 0.598 4.937 4.340 -0.001 0.000 0.286 169 R C -0.681 175.567 176.300 -0.087 0.000 0.969 169 R CA -0.930 55.137 56.100 -0.054 0.000 0.898 169 R CB 1.928 32.258 30.300 0.049 0.000 1.183 169 R HN 0.609 nan 8.270 nan 0.000 0.456 170 L N 4.871 126.045 121.223 -0.081 0.000 2.272 170 L HA 0.422 4.761 4.340 -0.001 0.000 0.284 170 L C -2.320 174.595 176.870 0.076 0.000 1.045 170 L CA -2.040 52.776 54.840 -0.040 0.000 0.842 170 L CB 0.975 43.004 42.059 -0.051 0.000 1.224 170 L HN 0.440 nan 8.230 nan 0.000 0.430 171 P HA -0.023 nan 4.420 nan 0.000 0.258 171 P C -0.123 177.360 177.300 0.305 0.000 1.187 171 P CA 0.642 63.862 63.100 0.199 0.000 0.767 171 P CB 0.192 32.024 31.700 0.220 0.000 0.770 172 I N 3.755 124.365 120.570 0.067 0.000 2.662 172 I HA 0.244 4.413 4.170 -0.001 0.000 0.291 172 I C 1.258 176.968 176.117 -0.680 0.000 1.046 172 I CA -0.704 60.527 61.300 -0.114 0.000 1.361 172 I CB 0.801 38.693 38.000 -0.181 0.000 1.429 172 I HN 0.262 nan 8.210 nan 0.000 0.558 173 M N 4.888 123.664 119.600 -1.374 0.000 2.233 173 M HA 0.331 4.810 4.480 -0.001 0.000 0.355 173 M C -1.021 174.864 176.300 -0.692 0.000 1.191 173 M CA -0.847 53.449 55.300 -1.674 0.000 1.101 173 M CB 1.179 32.529 32.600 -2.084 0.000 1.592 173 M HN 0.296 nan 8.290 nan 0.000 0.461 174 L N 4.613 125.448 121.223 -0.647 0.000 2.456 174 L HA 0.137 4.476 4.340 -0.001 0.000 0.272 174 L C 1.012 177.690 176.870 -0.320 0.000 1.189 174 L CA 0.979 55.539 54.840 -0.466 0.000 0.846 174 L CB 0.214 41.771 42.059 -0.837 0.000 1.111 174 L HN 0.935 nan 8.230 nan 0.000 0.475 175 R N -0.213 120.193 120.500 -0.156 0.000 3.989 175 R HA -0.180 4.160 4.340 -0.001 0.000 0.377 175 R C 0.137 176.413 176.300 -0.039 0.000 1.158 175 R CA 1.036 57.091 56.100 -0.075 0.000 1.035 175 R CB -1.845 28.410 30.300 -0.075 0.000 1.557 175 R HN 0.887 nan 8.270 nan 0.000 0.551 176 S N -1.262 114.417 115.700 -0.035 0.000 2.686 176 S HA 0.330 4.799 4.470 -0.001 0.000 0.270 176 S C 1.194 175.823 174.600 0.049 0.000 1.194 176 S CA -0.368 57.864 58.200 0.054 0.000 0.990 176 S CB 1.286 64.604 63.200 0.197 0.000 1.029 176 S HN 0.258 nan 8.310 nan 0.000 0.560 177 K N 0.552 120.985 120.400 0.055 0.000 2.113 177 K HA -0.151 4.168 4.320 -0.001 0.000 0.208 177 K C 1.389 177.966 176.600 -0.038 0.000 1.047 177 K CA 1.959 58.247 56.287 0.002 0.000 0.928 177 K CB -0.512 31.979 32.500 -0.015 0.000 0.716 177 K HN 0.547 nan 8.250 nan 0.000 0.446 178 N N -0.195 118.490 118.700 -0.026 0.000 2.467 178 N HA -0.034 4.705 4.740 -0.001 0.000 0.184 178 N C 0.066 175.484 175.510 -0.154 0.000 1.106 178 N CA 0.202 53.187 53.050 -0.108 0.000 0.892 178 N CB 0.114 38.555 38.487 -0.077 0.000 0.969 178 N HN 0.151 nan 8.380 nan 0.000 0.454 179 C N 0.686 119.968 119.300 -0.030 0.000 2.514 179 C HA 0.153 4.613 4.460 -0.001 0.000 0.392 179 C C 1.516 176.542 174.990 0.060 0.000 1.294 179 C CA -0.723 58.364 59.018 0.115 0.000 1.957 179 C CB -0.954 26.878 27.740 0.153 0.000 2.541 179 C HN 0.471 nan 8.230 nan 0.000 0.569 180 Y N 3.490 123.757 120.300 -0.057 0.000 2.256 180 Y HA -0.108 4.442 4.550 -0.001 0.000 0.288 180 Y C 2.060 177.947 175.900 -0.022 0.000 1.155 180 Y CA 1.485 59.525 58.100 -0.101 0.000 1.203 180 Y CB -0.688 37.586 38.460 -0.311 0.000 0.980 180 Y HN 0.658 nan 8.280 nan 0.000 0.530 181 L N -0.373 120.949 121.223 0.163 0.000 2.131 181 L HA -0.229 4.111 4.340 -0.001 0.000 0.210 181 L C 2.571 179.478 176.870 0.062 0.000 1.092 181 L CA 1.440 56.339 54.840 0.097 0.000 0.759 181 L CB -0.893 41.196 42.059 0.049 0.000 0.903 181 L HN 0.324 nan 8.230 nan 0.000 0.435 182 S N -0.220 115.506 115.700 0.043 0.000 2.370 182 S HA -0.256 4.214 4.470 -0.001 0.000 0.226 182 S C 1.771 176.389 174.600 0.031 0.000 1.033 182 S CA 1.555 59.771 58.200 0.027 0.000 1.011 182 S CB -0.325 62.882 63.200 0.012 0.000 0.852 182 S HN 0.508 nan 8.310 nan 0.000 0.457 183 E N 1.841 122.060 120.200 0.032 0.000 2.051 183 E HA 0.312 4.661 4.350 -0.001 0.000 0.189 183 E C 1.268 177.900 176.600 0.052 0.000 0.979 183 E CA 0.432 56.853 56.400 0.035 0.000 0.803 183 E CB -0.326 29.388 29.700 0.023 0.000 0.761 183 E HN 0.688 nan 8.360 nan 0.000 0.451 184 A N 1.241 124.108 122.820 0.077 0.000 2.567 184 A HA 0.080 4.399 4.320 -0.001 0.000 0.236 184 A C 0.652 178.272 177.584 0.060 0.000 1.088 184 A CA 0.806 52.894 52.037 0.085 0.000 0.776 184 A CB -0.078 18.994 19.000 0.120 0.000 1.033 184 A HN 0.289 nan 8.150 nan 0.000 0.513 185 T N -1.684 112.903 114.554 0.054 0.000 2.841 185 T HA 0.529 4.878 4.350 -0.001 0.000 0.276 185 T C 0.884 175.607 174.700 0.038 0.000 1.003 185 T CA 0.205 62.326 62.100 0.034 0.000 0.995 185 T CB 0.914 69.793 68.868 0.018 0.000 1.260 185 T HN 0.717 nan 8.240 nan 0.000 0.581 186 E N 0.955 121.162 120.200 0.012 0.000 1.998 186 E HA -0.265 4.084 4.350 -0.001 0.000 0.221 186 E C 2.276 178.898 176.600 0.037 0.000 1.018 186 E CA 2.922 59.331 56.400 0.014 0.000 0.891 186 E CB -0.704 28.959 29.700 -0.061 0.000 0.807 186 E HN 0.767 nan 8.360 nan 0.000 0.523 187 S N 0.335 115.995 115.700 -0.066 0.000 2.400 187 S HA -0.317 4.153 4.470 -0.001 0.000 0.234 187 S C 1.881 176.490 174.600 0.016 0.000 1.049 187 S CA 1.743 59.888 58.200 -0.092 0.000 1.039 187 S CB -0.730 62.411 63.200 -0.098 0.000 0.856 187 S HN 0.380 nan 8.310 nan 0.000 0.465 188 D N 1.637 122.061 120.400 0.040 0.000 2.106 188 D HA -0.081 4.558 4.640 -0.001 0.000 0.191 188 D C 2.027 178.386 176.300 0.099 0.000 0.997 188 D CA 1.580 55.619 54.000 0.065 0.000 0.834 188 D CB -0.244 40.599 40.800 0.072 0.000 0.956 188 D HN 0.422 nan 8.370 nan 0.000 0.448 189 L N -0.172 121.129 121.223 0.129 0.000 1.955 189 L HA -0.250 4.090 4.340 -0.001 0.000 0.213 189 L C 2.688 179.638 176.870 0.135 0.000 1.072 189 L CA 1.290 56.204 54.840 0.124 0.000 0.755 189 L CB -0.983 41.134 42.059 0.097 0.000 0.888 189 L HN 0.106 nan 8.230 nan 0.000 0.432 190 Y N 0.615 120.893 120.300 -0.036 0.000 2.133 190 Y HA -0.329 4.220 4.550 -0.001 0.000 0.279 190 Y C 2.548 178.422 175.900 -0.043 0.000 1.209 190 Y CA 1.546 59.619 58.100 -0.045 0.000 1.152 190 Y CB -0.632 37.794 38.460 -0.056 0.000 0.961 190 Y HN 0.143 nan 8.280 nan 0.000 0.512 191 K N -0.267 120.208 120.400 0.125 0.000 2.504 191 K HA -0.043 4.276 4.320 -0.001 0.000 0.195 191 K C 1.461 178.054 176.600 -0.011 0.000 1.036 191 K CA 0.662 56.972 56.287 0.038 0.000 0.984 191 K CB -0.157 32.353 32.500 0.016 0.000 0.788 191 K HN 0.358 nan 8.250 nan 0.000 0.488 192 L N -0.326 120.898 121.223 0.001 0.000 2.463 192 L HA 0.065 4.404 4.340 -0.001 0.000 0.219 192 L C 0.794 177.644 176.870 -0.033 0.000 1.088 192 L CA 0.332 55.151 54.840 -0.035 0.000 0.849 192 L CB 0.176 42.258 42.059 0.038 0.000 1.012 192 L HN 0.053 nan 8.230 nan 0.000 0.468 193 K N -1.823 118.557 120.400 -0.034 0.000 3.576 193 K HA -0.136 4.183 4.320 -0.001 0.000 0.266 193 K C 0.252 176.798 176.600 -0.090 0.000 0.969 193 K CA 0.661 56.910 56.287 -0.063 0.000 1.137 193 K CB -0.743 31.730 32.500 -0.045 0.000 1.294 193 K HN 0.113 nan 8.250 nan 0.000 0.536 194 E N 1.845 122.009 120.200 -0.059 0.000 2.376 194 E HA 0.006 4.355 4.350 -0.001 0.000 0.266 194 E C -0.081 176.439 176.600 -0.133 0.000 1.009 194 E CA 0.187 56.553 56.400 -0.057 0.000 0.902 194 E CB 0.872 30.562 29.700 -0.016 0.000 0.972 194 E HN 0.286 nan 8.360 nan 0.000 0.439 195 C N 7.897 127.121 119.300 -0.127 0.000 2.648 195 C HA 0.129 4.589 4.460 -0.001 0.000 0.419 195 C C -0.641 174.279 174.990 -0.118 0.000 1.352 195 C CA -1.603 57.295 59.018 -0.200 0.000 1.816 195 C CB 0.020 27.706 27.740 -0.090 0.000 2.598 195 C HN 0.625 nan 8.230 nan 0.000 0.598 196 P HA -0.175 nan 4.420 nan 0.000 0.213 196 P C 1.515 178.784 177.300 -0.051 0.000 1.170 196 P CA 1.920 64.945 63.100 -0.125 0.000 0.898 196 P CB -0.226 31.369 31.700 -0.175 0.000 0.787 197 F N 0.299 120.230 119.950 -0.032 0.000 2.257 197 F HA -0.194 4.332 4.527 -0.001 0.000 0.302 197 F C 1.327 177.210 175.800 0.138 0.000 1.056 197 F CA 0.507 58.499 58.000 -0.013 0.000 1.353 197 F CB -0.982 37.916 39.000 -0.170 0.000 1.064 197 F HN 0.018 nan 8.300 nan 0.000 0.520 198 D N 0.353 120.930 120.400 0.295 0.000 2.449 198 D HA -0.061 4.579 4.640 -0.001 0.000 0.236 198 D C 0.984 177.423 176.300 0.233 0.000 1.149 198 D CA 0.268 54.437 54.000 0.282 0.000 0.878 198 D CB 0.622 41.543 40.800 0.202 0.000 1.198 198 D HN 0.024 nan 8.370 nan 0.000 0.446 199 M N 1.391 121.124 119.600 0.221 0.000 2.306 199 M HA 0.323 4.803 4.480 -0.001 0.000 0.292 199 M C 0.851 177.218 176.300 0.112 0.000 1.018 199 M CA 0.282 55.671 55.300 0.148 0.000 1.007 199 M CB -0.704 31.969 32.600 0.123 0.000 1.510 199 M HN 0.394 nan 8.290 nan 0.000 0.537 200 G N 1.728 110.643 108.800 0.191 0.000 2.606 200 G HA2 0.027 3.987 3.960 -0.001 0.000 0.285 200 G HA3 0.027 3.987 3.960 -0.001 0.000 0.285 200 G C 0.733 175.657 174.900 0.040 0.000 1.311 200 G CA 1.176 46.264 45.100 -0.020 0.000 0.922 200 G HN 1.786 nan 8.290 nan 0.000 0.559 201 G N -3.542 105.135 108.800 -0.204 0.000 2.184 201 G HA2 0.220 4.179 3.960 -0.001 0.000 0.206 201 G HA3 0.220 4.179 3.960 -0.001 0.000 0.206 201 G C 0.226 175.102 174.900 -0.039 0.000 0.995 201 G CA 1.123 46.167 45.100 -0.092 0.000 0.651 201 G HN 2.326 nan 8.290 nan 0.000 0.511 202 Y N -1.016 119.202 120.300 -0.136 0.000 2.630 202 Y HA 0.873 5.422 4.550 -0.001 0.000 0.337 202 Y C 0.076 175.924 175.900 -0.085 0.000 1.051 202 Y CA -2.371 55.714 58.100 -0.027 0.000 1.121 202 Y CB 0.753 39.187 38.460 -0.045 0.000 1.299 202 Y HN -0.061 nan 8.280 nan 0.000 0.498 203 F N 0.469 120.426 119.950 0.011 0.000 2.362 203 F HA 0.655 5.181 4.527 -0.001 0.000 0.340 203 F C -0.143 175.707 175.800 0.083 0.000 1.088 203 F CA -1.620 56.355 58.000 -0.042 0.000 1.096 203 F CB 0.832 39.804 39.000 -0.046 0.000 1.486 203 F HN 0.346 nan 8.300 nan 0.000 0.500 204 I N 2.072 122.820 120.570 0.297 0.000 2.642 204 I HA 0.189 4.359 4.170 -0.001 0.000 0.273 204 I C -1.391 174.842 176.117 0.194 0.000 1.208 204 I CA -0.154 61.271 61.300 0.210 0.000 1.037 204 I CB 0.755 38.827 38.000 0.120 0.000 1.253 204 I HN 0.207 nan 8.210 nan 0.000 0.504 205 I N 3.880 124.545 120.570 0.157 0.000 2.783 205 I HA 0.275 4.444 4.170 -0.001 0.000 0.312 205 I C 1.275 177.438 176.117 0.077 0.000 0.988 205 I CA -0.577 60.789 61.300 0.110 0.000 1.182 205 I CB 0.437 38.483 38.000 0.077 0.000 1.368 205 I HN 0.340 nan 8.210 nan 0.000 0.511 206 N N 3.767 122.499 118.700 0.053 0.000 2.942 206 N HA -0.248 4.491 4.740 -0.001 0.000 0.284 206 N C 1.088 176.625 175.510 0.044 0.000 1.019 206 N CA 1.198 54.267 53.050 0.033 0.000 0.879 206 N CB -0.604 37.894 38.487 0.018 0.000 0.917 206 N HN 1.004 nan 8.380 nan 0.000 0.606 207 G N -1.200 107.634 108.800 0.057 0.000 3.757 207 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.215 207 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.215 207 G C 0.148 175.094 174.900 0.078 0.000 1.411 207 G CA 0.400 45.546 45.100 0.076 0.000 0.896 207 G HN 0.846 nan 8.290 nan 0.000 0.581 208 S N 1.570 117.309 115.700 0.064 0.000 2.572 208 S HA 0.491 4.960 4.470 -0.001 0.000 0.279 208 S C -0.014 174.627 174.600 0.068 0.000 1.341 208 S CA 0.109 58.338 58.200 0.048 0.000 1.043 208 S CB 1.489 64.704 63.200 0.025 0.000 0.887 208 S HN 0.592 nan 8.310 nan 0.000 0.516 209 E N 1.872 122.098 120.200 0.043 0.000 1.944 209 E HA 0.124 4.473 4.350 -0.001 0.000 0.272 209 E C -0.335 176.293 176.600 0.048 0.000 1.195 209 E CA -0.299 56.149 56.400 0.079 0.000 0.926 209 E CB 0.340 29.980 29.700 -0.099 0.000 1.051 209 E HN 0.303 nan 8.360 nan 0.000 0.404 210 K N 2.163 122.639 120.400 0.127 0.000 2.172 210 K HA 0.334 4.653 4.320 -0.001 0.000 0.276 210 K C -0.488 176.165 176.600 0.088 0.000 1.013 210 K CA -0.683 55.642 56.287 0.063 0.000 0.913 210 K CB 1.824 34.346 32.500 0.037 0.000 1.055 210 K HN 0.182 nan 8.250 nan 0.000 0.461 211 V N 4.925 124.815 119.914 -0.040 0.000 2.409 211 V HA 0.319 4.438 4.120 -0.001 0.000 0.291 211 V C 0.174 176.196 176.094 -0.121 0.000 1.020 211 V CA -0.888 61.360 62.300 -0.085 0.000 0.848 211 V CB 1.372 32.990 31.823 -0.341 0.000 0.990 211 V HN 0.557 nan 8.190 nan 0.000 0.430 212 L N 5.794 126.967 121.223 -0.083 0.000 2.313 212 L HA 0.396 4.735 4.340 -0.001 0.000 0.282 212 L C -0.238 176.558 176.870 -0.123 0.000 1.092 212 L CA -0.237 54.520 54.840 -0.138 0.000 0.831 212 L CB 0.784 42.771 42.059 -0.120 0.000 1.159 212 L HN 0.413 nan 8.230 nan 0.000 0.442 213 I N 3.020 123.501 120.570 -0.149 0.000 2.440 213 I HA 0.232 4.402 4.170 -0.001 0.000 0.294 213 I C 0.825 176.883 176.117 -0.099 0.000 0.995 213 I CA -0.455 60.781 61.300 -0.107 0.000 1.306 213 I CB 1.552 39.505 38.000 -0.078 0.000 1.407 213 I HN 0.603 nan 8.210 nan 0.000 0.501 214 A N 7.402 130.186 122.820 -0.060 0.000 2.567 214 A HA 0.042 4.361 4.320 -0.001 0.000 0.240 214 A C 0.238 177.790 177.584 -0.053 0.000 1.053 214 A CA 0.047 52.057 52.037 -0.044 0.000 0.755 214 A CB -0.157 18.831 19.000 -0.020 0.000 0.978 214 A HN 0.649 nan 8.150 nan 0.000 0.507 215 Q N 2.047 121.812 119.800 -0.057 0.000 2.506 215 Q HA 0.165 4.504 4.340 -0.001 0.000 0.242 215 Q C -0.215 175.766 176.000 -0.031 0.000 1.060 215 Q CA -0.153 55.615 55.803 -0.059 0.000 0.826 215 Q CB 1.174 29.857 28.738 -0.092 0.000 1.169 215 Q HN 0.927 nan 8.270 nan 0.000 0.521 216 E N 2.950 123.144 120.200 -0.011 0.000 2.452 216 E HA 0.078 4.427 4.350 -0.001 0.000 0.261 216 E C -0.564 176.033 176.600 -0.005 0.000 0.987 216 E CA 0.071 56.474 56.400 0.004 0.000 0.926 216 E CB 0.506 30.239 29.700 0.056 0.000 0.934 216 E HN 0.367 nan 8.360 nan 0.000 0.452 217 R N 1.644 122.132 120.500 -0.019 0.000 2.536 217 R HA 0.227 4.567 4.340 -0.001 0.000 0.269 217 R C -1.130 175.149 176.300 -0.035 0.000 1.113 217 R CA -0.692 55.397 56.100 -0.018 0.000 0.948 217 R CB 0.871 31.161 30.300 -0.016 0.000 1.237 217 R HN 0.265 nan 8.270 nan 0.000 0.441 218 S N 2.246 117.932 115.700 -0.023 0.000 2.784 218 S HA 0.252 4.721 4.470 -0.001 0.000 0.322 218 S C 0.626 175.191 174.600 -0.059 0.000 1.234 218 S CA 0.359 58.539 58.200 -0.034 0.000 1.064 218 S CB -0.344 62.852 63.200 -0.007 0.000 0.787 218 S HN 0.880 nan 8.310 nan 0.000 0.506 219 A N 4.600 127.361 122.820 -0.099 0.000 2.536 219 A HA 0.492 4.811 4.320 -0.001 0.000 0.234 219 A C 0.927 178.449 177.584 -0.104 0.000 1.076 219 A CA 0.323 52.281 52.037 -0.131 0.000 0.769 219 A CB -0.273 18.602 19.000 -0.207 0.000 1.020 219 A HN 1.101 nan 8.150 nan 0.000 0.508 220 G N -0.687 108.050 108.800 -0.106 0.000 2.509 220 G HA2 0.477 4.437 3.960 -0.001 0.000 0.328 220 G HA3 0.477 4.437 3.960 -0.001 0.000 0.328 220 G C -0.330 174.504 174.900 -0.109 0.000 1.194 220 G CA -0.447 44.602 45.100 -0.086 0.000 0.967 220 G HN 1.050 nan 8.290 nan 0.000 0.488 221 N N -1.097 117.522 118.700 -0.135 0.000 2.681 221 N HA -0.156 4.583 4.740 -0.001 0.000 0.259 221 N C -0.682 174.781 175.510 -0.078 0.000 1.066 221 N CA 1.050 53.971 53.050 -0.215 0.000 0.717 221 N CB -1.148 37.176 38.487 -0.271 0.000 0.885 221 N HN 0.579 nan 8.380 nan 0.000 0.547 222 I N -0.814 119.724 120.570 -0.054 0.000 2.775 222 I HA 0.327 4.496 4.170 -0.001 0.000 0.295 222 I C 0.007 176.087 176.117 -0.061 0.000 1.287 222 I CA -1.191 60.089 61.300 -0.033 0.000 1.029 222 I CB 2.427 40.382 38.000 -0.076 0.000 1.282 222 I HN -0.194 nan 8.210 nan 0.000 0.426 223 V N 3.471 123.334 119.914 -0.086 0.000 2.481 223 V HA 0.565 4.685 4.120 -0.001 0.000 0.286 223 V C -0.407 175.540 176.094 -0.246 0.000 1.042 223 V CA -0.485 61.711 62.300 -0.175 0.000 0.928 223 V CB 1.148 32.826 31.823 -0.242 0.000 0.986 223 V HN 0.755 nan 8.190 nan 0.000 0.462 224 Q N 2.020 121.614 119.800 -0.344 0.000 2.377 224 Q HA 0.697 5.036 4.340 -0.001 0.000 0.279 224 Q C -1.361 174.231 176.000 -0.679 0.000 1.049 224 Q CA -0.895 54.607 55.803 -0.502 0.000 0.825 224 Q CB 3.096 31.478 28.738 -0.593 0.000 1.401 224 Q HN 0.782 nan 8.270 nan 0.000 0.404 225 V N -1.074 118.469 119.914 -0.618 0.000 2.581 225 V HA 0.725 4.845 4.120 -0.001 0.000 0.303 225 V C -0.819 175.009 176.094 -0.444 0.000 1.041 225 V CA -0.610 61.410 62.300 -0.465 0.000 0.907 225 V CB 0.923 32.609 31.823 -0.228 0.000 0.994 225 V HN 0.667 nan 8.190 nan 0.000 0.442 226 F N 1.290 121.178 119.950 -0.105 0.000 2.547 226 F HA 0.527 5.054 4.527 -0.001 0.000 0.316 226 F C 0.348 176.033 175.800 -0.193 0.000 1.121 226 F CA -1.048 56.874 58.000 -0.130 0.000 0.911 226 F CB 2.489 41.438 39.000 -0.086 0.000 1.179 226 F HN 0.416 nan 8.300 nan 0.000 0.443 227 K N 3.608 123.980 120.400 -0.047 0.000 2.322 227 K HA 0.276 4.595 4.320 -0.001 0.000 0.283 227 K C -0.488 176.080 176.600 -0.054 0.000 1.042 227 K CA -0.320 55.842 56.287 -0.209 0.000 0.958 227 K CB 1.073 33.436 32.500 -0.228 0.000 0.984 227 K HN 0.547 nan 8.250 nan 0.000 0.473 228 K N 1.554 121.953 120.400 -0.002 0.000 2.156 228 K HA 0.322 4.642 4.320 -0.001 0.000 0.254 228 K C -0.370 176.227 176.600 -0.004 0.000 0.950 228 K CA -0.679 55.607 56.287 -0.003 0.000 0.849 228 K CB 1.728 34.233 32.500 0.007 0.000 1.100 228 K HN 0.716 nan 8.250 nan 0.000 0.434 229 A N 1.546 124.353 122.820 -0.020 0.000 2.653 229 A HA -0.066 4.254 4.320 -0.001 0.000 0.227 229 A C 1.305 178.886 177.584 -0.005 0.000 1.066 229 A CA 1.132 53.158 52.037 -0.018 0.000 0.771 229 A CB -0.111 18.875 19.000 -0.023 0.000 0.980 229 A HN 0.949 nan 8.150 nan 0.000 0.507 230 A N 2.212 125.030 122.820 -0.003 0.000 1.978 230 A HA 0.041 4.361 4.320 -0.001 0.000 0.220 230 A C -0.628 176.955 177.584 -0.001 0.000 1.170 230 A CA 1.635 53.674 52.037 0.003 0.000 0.636 230 A CB -1.130 17.871 19.000 0.002 0.000 0.810 230 A HN 0.770 nan 8.150 nan 0.000 0.448 231 P HA 0.374 nan 4.420 nan 0.000 0.234 231 P C -0.758 176.534 177.300 -0.013 0.000 1.799 231 P CA 0.284 63.379 63.100 -0.008 0.000 1.118 231 P CB 0.458 32.153 31.700 -0.008 0.000 1.827 232 S N 3.709 119.400 115.700 -0.016 0.000 2.642 232 S HA 0.324 4.793 4.470 -0.001 0.000 0.288 232 S C -2.350 172.226 174.600 -0.041 0.000 1.080 232 S CA -0.775 57.407 58.200 -0.031 0.000 0.854 232 S CB 1.118 64.296 63.200 -0.038 0.000 1.065 232 S HN 0.082 nan 8.310 nan 0.000 0.450 233 P HA 0.181 nan 4.420 nan 0.000 0.220 233 P C 0.310 177.514 177.300 -0.160 0.000 1.152 233 P CA 0.507 63.559 63.100 -0.080 0.000 0.812 233 P CB -0.188 31.472 31.700 -0.067 0.000 0.792 234 I N 0.690 121.121 120.570 -0.232 0.000 2.556 234 I HA 0.015 4.184 4.170 -0.001 0.000 0.284 234 I C 2.010 178.084 176.117 -0.072 0.000 1.114 234 I CA 0.420 61.577 61.300 -0.239 0.000 1.418 234 I CB 0.565 38.424 38.000 -0.236 0.000 1.394 234 I HN -0.081 nan 8.210 nan 0.000 0.552 235 S N 5.476 121.160 115.700 -0.027 0.000 2.310 235 S HA 0.190 4.659 4.470 -0.001 0.000 0.205 235 S C 0.516 175.320 174.600 0.340 0.000 1.020 235 S CA 0.545 58.794 58.200 0.083 0.000 0.939 235 S CB 0.015 63.160 63.200 -0.092 0.000 0.919 235 S HN 0.671 nan 8.310 nan 0.000 0.501 236 H N -1.023 118.033 119.070 -0.024 0.000 2.797 236 H HA 0.750 5.305 4.556 -0.001 0.000 0.372 236 H C -1.481 173.833 175.328 -0.023 0.000 1.168 236 H CA -1.272 54.769 56.048 -0.012 0.000 1.163 236 H CB 2.066 31.817 29.762 -0.020 0.000 1.778 236 H HN 0.180 nan 8.280 nan 0.000 0.551 237 V N 0.466 120.443 119.914 0.105 0.000 3.087 237 V HA 0.566 4.685 4.120 -0.001 0.000 0.306 237 V C -0.946 175.103 176.094 -0.075 0.000 1.187 237 V CA -0.883 61.430 62.300 0.021 0.000 0.999 237 V CB 2.006 33.848 31.823 0.030 0.000 1.049 237 V HN 0.914 nan 8.190 nan 0.000 0.431 238 A N 2.324 125.078 122.820 -0.110 0.000 2.304 238 A HA 0.824 5.144 4.320 -0.001 0.000 0.314 238 A C -0.475 177.004 177.584 -0.174 0.000 1.187 238 A CA -0.516 51.399 52.037 -0.203 0.000 0.810 238 A CB 0.785 19.671 19.000 -0.190 0.000 1.183 238 A HN 0.819 nan 8.150 nan 0.000 0.487 239 E N 0.859 120.919 120.200 -0.233 0.000 2.232 239 E HA 0.720 5.069 4.350 -0.001 0.000 0.264 239 E C -1.268 175.260 176.600 -0.120 0.000 0.973 239 E CA -0.712 55.606 56.400 -0.136 0.000 0.849 239 E CB 2.577 32.229 29.700 -0.081 0.000 1.198 239 E HN 0.603 nan 8.360 nan 0.000 0.407 240 I N 0.890 121.424 120.570 -0.061 0.000 2.690 240 I HA 0.162 4.331 4.170 -0.001 0.000 0.286 240 I C -1.391 174.710 176.117 -0.028 0.000 1.313 240 I CA -0.386 60.893 61.300 -0.035 0.000 1.070 240 I CB 1.057 39.074 38.000 0.029 0.000 1.323 240 I HN 0.391 nan 8.210 nan 0.000 0.432 241 R N 5.100 125.575 120.500 -0.041 0.000 2.220 241 R HA 0.331 4.670 4.340 -0.001 0.000 0.340 241 R C -0.169 176.097 176.300 -0.058 0.000 1.076 241 R CA -0.289 55.792 56.100 -0.032 0.000 0.920 241 R CB 0.800 31.084 30.300 -0.026 0.000 1.062 241 R HN 0.625 nan 8.270 nan 0.000 0.469 242 S N 1.305 116.988 115.700 -0.028 0.000 2.480 242 S HA 0.740 5.209 4.470 -0.001 0.000 0.286 242 S C -0.244 174.380 174.600 0.039 0.000 1.180 242 S CA -0.847 57.337 58.200 -0.027 0.000 1.075 242 S CB 2.045 65.286 63.200 0.068 0.000 0.996 242 S HN 0.642 nan 8.310 nan 0.000 0.487 243 A N 3.298 126.138 122.820 0.034 0.000 2.513 243 A HA 0.554 4.873 4.320 -0.001 0.000 0.296 243 A C -0.686 176.933 177.584 0.058 0.000 1.052 243 A CA -0.909 51.169 52.037 0.069 0.000 0.714 243 A CB 0.779 19.811 19.000 0.054 0.000 1.279 243 A HN 0.855 nan 8.150 nan 0.000 0.397 244 L N 2.732 123.983 121.223 0.046 0.000 2.562 244 L HA 0.064 4.403 4.340 -0.001 0.000 0.271 244 L C 1.590 178.471 176.870 0.019 0.000 1.167 244 L CA 0.010 54.859 54.840 0.014 0.000 0.917 244 L CB 0.316 42.342 42.059 -0.055 0.000 1.187 244 L HN 0.966 nan 8.230 nan 0.000 0.482 245 E N 2.688 122.908 120.200 0.034 0.000 2.187 245 E HA -0.177 4.172 4.350 -0.001 0.000 0.199 245 E C -0.147 176.472 176.600 0.032 0.000 1.004 245 E CA 1.405 57.829 56.400 0.040 0.000 0.813 245 E CB 0.118 29.849 29.700 0.053 0.000 0.736 245 E HN 0.502 nan 8.360 nan 0.000 0.468 246 K N -1.133 119.274 120.400 0.012 0.000 2.588 246 K HA 0.437 4.756 4.320 -0.001 0.000 0.250 246 K C -0.992 175.588 176.600 -0.034 0.000 0.972 246 K CA -0.044 56.244 56.287 0.002 0.000 0.821 246 K CB 2.347 34.852 32.500 0.008 0.000 1.249 246 K HN 0.118 nan 8.250 nan 0.000 0.442 247 G N 1.416 110.188 108.800 -0.047 0.000 2.992 247 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.677 247 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.677 247 G C 0.155 174.962 174.900 -0.155 0.000 1.191 247 G CA 0.066 45.109 45.100 -0.095 0.000 1.178 247 G HN 0.712 nan 8.290 nan 0.000 0.506 248 S N 1.049 116.670 115.700 -0.131 0.000 2.156 248 S HA -0.333 4.136 4.470 -0.001 0.000 0.234 248 S C 1.390 175.954 174.600 -0.061 0.000 1.141 248 S CA 2.414 60.521 58.200 -0.155 0.000 1.592 248 S CB -1.190 61.769 63.200 -0.403 0.000 2.054 248 S HN 2.344 nan 8.310 nan 0.000 0.586 249 R N 0.344 120.806 120.500 -0.063 0.000 3.022 249 R HA -0.134 4.206 4.340 -0.001 0.000 0.248 249 R C 0.182 176.592 176.300 0.183 0.000 0.874 249 R CA 1.055 57.179 56.100 0.041 0.000 0.626 249 R CB -2.353 27.983 30.300 0.061 0.000 1.255 249 R HN 0.583 nan 8.270 nan 0.000 0.496 250 F N 0.522 120.486 119.950 0.024 0.000 2.485 250 F HA 0.148 4.675 4.527 -0.001 0.000 0.327 250 F C 1.737 177.555 175.800 0.030 0.000 1.203 250 F CA -0.375 57.643 58.000 0.030 0.000 1.295 250 F CB 0.595 39.612 39.000 0.028 0.000 1.191 250 F HN 0.185 nan 8.300 nan 0.000 0.588 251 I N 1.921 122.612 120.570 0.203 0.000 2.914 251 I HA 0.029 4.198 4.170 -0.001 0.000 0.303 251 I C -0.831 175.319 176.117 0.056 0.000 1.553 251 I CA -0.174 61.189 61.300 0.106 0.000 0.799 251 I CB 0.651 38.697 38.000 0.077 0.000 2.056 251 I HN 0.329 nan 8.210 nan 0.000 0.613 252 S N 0.458 116.195 115.700 0.061 0.000 2.499 252 S HA 0.530 5.000 4.470 -0.001 0.000 0.279 252 S C 0.185 174.798 174.600 0.022 0.000 1.219 252 S CA -0.516 57.702 58.200 0.031 0.000 1.062 252 S CB 1.315 64.536 63.200 0.034 0.000 0.978 252 S HN 0.264 nan 8.310 nan 0.000 0.489 253 T N 3.546 118.103 114.554 0.005 0.000 2.889 253 T HA 0.449 4.798 4.350 -0.001 0.000 0.291 253 T C -0.464 174.215 174.700 -0.034 0.000 0.995 253 T CA -0.504 61.591 62.100 -0.008 0.000 1.092 253 T CB 0.688 69.553 68.868 -0.004 0.000 0.954 253 T HN 0.573 nan 8.240 nan 0.000 0.506 254 L N 3.349 124.543 121.223 -0.049 0.000 2.319 254 L HA 0.404 4.743 4.340 -0.001 0.000 0.281 254 L C -0.554 176.272 176.870 -0.073 0.000 1.005 254 L CA -0.152 54.632 54.840 -0.094 0.000 0.828 254 L CB 1.250 43.228 42.059 -0.135 0.000 1.227 254 L HN 0.597 nan 8.230 nan 0.000 0.415 255 Q N 3.923 123.684 119.800 -0.066 0.000 2.312 255 Q HA 0.630 4.969 4.340 -0.001 0.000 0.263 255 Q C -1.275 174.702 176.000 -0.038 0.000 0.995 255 Q CA -0.877 54.901 55.803 -0.042 0.000 0.853 255 Q CB 2.954 31.682 28.738 -0.017 0.000 1.300 255 Q HN 0.468 nan 8.270 nan 0.000 0.448 256 V N 3.474 123.368 119.914 -0.033 0.000 2.327 256 V HA 0.199 4.318 4.120 -0.001 0.000 0.272 256 V C 0.007 176.106 176.094 0.008 0.000 1.019 256 V CA -0.559 61.731 62.300 -0.016 0.000 0.814 256 V CB 0.815 32.614 31.823 -0.040 0.000 1.040 256 V HN 0.676 nan 8.190 nan 0.000 0.440 257 K N 2.748 123.176 120.400 0.048 0.000 2.916 257 K HA 0.584 4.904 4.320 -0.001 0.000 0.320 257 K C -0.367 176.281 176.600 0.081 0.000 1.032 257 K CA -0.444 55.879 56.287 0.060 0.000 1.074 257 K CB 0.297 32.853 32.500 0.093 0.000 1.192 257 K HN 0.353 nan 8.250 nan 0.000 0.468 258 L N 0.387 121.673 121.223 0.104 0.000 2.664 258 L HA 0.179 4.518 4.340 -0.001 0.000 0.239 258 L C -1.518 175.415 176.870 0.106 0.000 1.198 258 L CA -0.113 54.789 54.840 0.103 0.000 0.976 258 L CB -0.780 41.288 42.059 0.014 0.000 1.149 258 L HN 0.427 nan 8.230 nan 0.000 0.614 259 Y N 1.662 121.962 120.300 0.001 0.000 2.629 259 Y HA 0.355 4.905 4.550 -0.001 0.000 0.354 259 Y C 1.668 177.561 175.900 -0.010 0.000 1.268 259 Y CA 1.550 59.652 58.100 0.003 0.000 1.475 259 Y CB 0.075 38.542 38.460 0.012 0.000 1.346 259 Y HN 0.856 nan 8.280 nan 0.000 0.685 260 G N 1.725 110.611 108.800 0.143 0.000 3.347 260 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.597 260 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.597 260 G C 0.039 174.945 174.900 0.011 0.000 0.831 260 G CA -0.570 44.572 45.100 0.069 0.000 0.778 260 G HN 0.559 nan 8.290 nan 0.000 0.459 261 R N 1.124 121.626 120.500 0.004 0.000 3.038 261 R HA 0.188 4.527 4.340 -0.001 0.000 0.263 261 R C 0.965 177.252 176.300 -0.021 0.000 1.208 261 R CA -0.279 55.815 56.100 -0.009 0.000 1.116 261 R CB 0.241 30.543 30.300 0.004 0.000 1.045 261 R HN 0.758 nan 8.270 nan 0.000 0.549 262 E N 0.030 120.220 120.200 -0.017 0.000 2.159 262 E HA 0.116 4.465 4.350 -0.001 0.000 0.272 262 E C 0.270 176.864 176.600 -0.010 0.000 1.138 262 E CA 0.633 57.019 56.400 -0.022 0.000 0.915 262 E CB -0.030 29.665 29.700 -0.007 0.000 1.028 262 E HN 0.698 nan 8.360 nan 0.000 0.423 263 G N 3.434 112.227 108.800 -0.012 0.000 2.981 263 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.198 263 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.198 263 G C 0.159 175.060 174.900 0.002 0.000 1.806 263 G CA -0.160 44.938 45.100 -0.003 0.000 1.374 263 G HN 0.960 nan 8.290 nan 0.000 0.555 264 S N 1.430 117.134 115.700 0.007 0.000 2.711 264 S HA 0.331 4.800 4.470 -0.001 0.000 0.320 264 S C 0.703 175.312 174.600 0.014 0.000 1.240 264 S CA 0.903 59.111 58.200 0.014 0.000 1.034 264 S CB 0.486 63.699 63.200 0.022 0.000 0.741 264 S HN 2.174 nan 8.310 nan 0.000 0.496 265 S N 2.283 117.992 115.700 0.016 0.000 2.510 265 S HA 0.513 4.982 4.470 -0.001 0.000 0.279 265 S C 0.564 175.176 174.600 0.020 0.000 1.284 265 S CA -0.437 57.772 58.200 0.015 0.000 1.059 265 S CB 0.060 63.268 63.200 0.013 0.000 0.901 265 S HN 2.429 nan 8.310 nan 0.000 0.491 266 A N 2.611 125.442 122.820 0.017 0.000 2.974 266 A HA -0.094 4.226 4.320 -0.001 0.000 0.272 266 A C 0.240 177.844 177.584 0.033 0.000 1.343 266 A CA -0.335 51.715 52.037 0.021 0.000 0.729 266 A CB -1.836 17.176 19.000 0.020 0.000 1.087 266 A HN 0.827 nan 8.150 nan 0.000 0.398 267 R N 1.288 121.803 120.500 0.025 0.000 3.701 267 R HA 0.190 4.529 4.340 -0.001 0.000 0.210 267 R C 0.850 177.176 176.300 0.042 0.000 1.598 267 R CA 0.665 56.784 56.100 0.033 0.000 1.427 267 R CB 0.153 30.452 30.300 -0.002 0.000 1.339 267 R HN 0.784 nan 8.270 nan 0.000 0.720 268 T N 0.972 115.561 114.554 0.059 0.000 2.860 268 T HA 0.308 4.657 4.350 -0.001 0.000 0.299 268 T C 0.413 175.165 174.700 0.087 0.000 1.045 268 T CA -0.193 61.934 62.100 0.045 0.000 1.071 268 T CB 0.545 69.406 68.868 -0.012 0.000 0.985 268 T HN 0.315 nan 8.240 nan 0.000 0.537 269 I N 3.647 124.261 120.570 0.073 0.000 2.410 269 I HA 0.441 4.610 4.170 -0.001 0.000 0.286 269 I C 0.183 176.356 176.117 0.093 0.000 1.009 269 I CA -0.797 60.562 61.300 0.098 0.000 1.111 269 I CB 1.628 39.672 38.000 0.073 0.000 1.262 269 I HN 0.582 nan 8.210 nan 0.000 0.443 270 K N 4.572 125.057 120.400 0.141 0.000 2.350 270 K HA 0.922 5.242 4.320 -0.001 0.000 0.241 270 K C -1.050 175.617 176.600 0.113 0.000 0.994 270 K CA -0.924 55.430 56.287 0.112 0.000 0.839 270 K CB 2.942 35.497 32.500 0.092 0.000 1.244 270 K HN 0.620 nan 8.250 nan 0.000 0.443 271 A N 0.829 123.692 122.820 0.070 0.000 2.449 271 A HA 0.569 4.888 4.320 -0.001 0.000 0.302 271 A C -0.970 176.625 177.584 0.018 0.000 1.048 271 A CA -0.650 51.407 52.037 0.033 0.000 0.708 271 A CB 1.590 20.588 19.000 -0.002 0.000 1.274 271 A HN 0.528 nan 8.150 nan 0.000 0.410 272 T N 2.408 116.962 114.554 -0.000 0.000 2.837 272 T HA 0.610 4.960 4.350 -0.001 0.000 0.285 272 T C -0.300 174.370 174.700 -0.049 0.000 0.984 272 T CA -0.069 62.025 62.100 -0.011 0.000 1.049 272 T CB 0.413 69.282 68.868 0.002 0.000 0.947 272 T HN 0.446 nan 8.240 nan 0.000 0.472 273 L N 4.595 125.794 121.223 -0.041 0.000 2.346 273 L HA 0.507 4.847 4.340 -0.001 0.000 0.274 273 L C -2.109 174.760 176.870 -0.002 0.000 1.007 273 L CA -2.722 52.087 54.840 -0.051 0.000 0.818 273 L CB 1.791 43.836 42.059 -0.024 0.000 1.284 273 L HN 0.375 nan 8.230 nan 0.000 0.424 274 P HA -0.096 nan 4.420 nan 0.000 0.265 274 P C -0.684 176.774 177.300 0.262 0.000 1.187 274 P CA 0.331 63.517 63.100 0.143 0.000 0.766 274 P CB 0.224 32.010 31.700 0.145 0.000 0.820 275 Y N -1.116 119.155 120.300 -0.048 0.000 4.409 275 Y HA -0.194 4.356 4.550 -0.001 0.000 0.228 275 Y C 0.531 176.403 175.900 -0.046 0.000 1.108 275 Y CA 0.449 58.536 58.100 -0.021 0.000 1.955 275 Y CB -2.363 36.100 38.460 0.005 0.000 1.615 275 Y HN 0.329 nan 8.280 nan 0.000 0.665 276 I N -0.095 120.501 120.570 0.042 0.000 2.439 276 I HA 0.160 4.329 4.170 -0.001 0.000 0.283 276 I C 1.102 177.208 176.117 -0.019 0.000 1.023 276 I CA -0.881 60.410 61.300 -0.016 0.000 1.100 276 I CB 1.699 39.666 38.000 -0.054 0.000 1.238 276 I HN -0.026 nan 8.210 nan 0.000 0.445 277 K N 3.354 123.746 120.400 -0.014 0.000 2.209 277 K HA -0.105 4.215 4.320 -0.001 0.000 0.204 277 K C 0.767 177.362 176.600 -0.009 0.000 1.048 277 K CA 1.127 57.407 56.287 -0.011 0.000 0.940 277 K CB 0.189 32.689 32.500 0.000 0.000 0.729 277 K HN 0.558 nan 8.250 nan 0.000 0.451 278 Q N 0.198 119.983 119.800 -0.026 0.000 2.418 278 Q HA 0.119 4.458 4.340 -0.001 0.000 0.276 278 Q C -1.083 174.904 176.000 -0.021 0.000 1.081 278 Q CA -0.874 54.921 55.803 -0.014 0.000 0.864 278 Q CB 1.748 30.476 28.738 -0.018 0.000 1.384 278 Q HN -0.042 nan 8.270 nan 0.000 0.467 279 D N 0.476 120.884 120.400 0.013 0.000 2.423 279 D HA 0.471 5.111 4.640 -0.001 0.000 0.255 279 D C -0.401 175.896 176.300 -0.005 0.000 1.174 279 D CA 0.047 54.063 54.000 0.026 0.000 1.008 279 D CB 0.874 41.730 40.800 0.095 0.000 1.101 279 D HN 0.406 nan 8.370 nan 0.000 0.516 280 I N 0.812 121.392 120.570 0.016 0.000 2.692 280 I HA 0.165 4.334 4.170 -0.001 0.000 0.293 280 I C -2.577 173.576 176.117 0.060 0.000 1.200 280 I CA -2.071 59.248 61.300 0.032 0.000 1.036 280 I CB 3.087 41.087 38.000 -0.001 0.000 1.258 280 I HN -0.024 nan 8.210 nan 0.000 0.421 281 P HA 0.145 nan 4.420 nan 0.000 0.276 281 P C 1.190 178.548 177.300 0.096 0.000 1.264 281 P CA -0.138 63.011 63.100 0.082 0.000 0.769 281 P CB 0.625 32.379 31.700 0.090 0.000 0.840 282 I N 1.710 122.329 120.570 0.081 0.000 2.354 282 I HA -0.324 3.845 4.170 -0.001 0.000 0.258 282 I C 1.275 177.474 176.117 0.138 0.000 1.111 282 I CA 1.568 62.903 61.300 0.058 0.000 1.390 282 I CB -1.183 36.857 38.000 0.067 0.000 1.072 282 I HN -0.000 nan 8.210 nan 0.000 0.441 283 V N 2.174 122.206 119.914 0.198 0.000 2.216 283 V HA -0.295 3.825 4.120 -0.001 0.000 0.242 283 V C 2.586 178.814 176.094 0.224 0.000 1.042 283 V CA 2.497 64.950 62.300 0.254 0.000 0.991 283 V CB -0.874 31.060 31.823 0.185 0.000 0.633 283 V HN 0.437 nan 8.190 nan 0.000 0.449 284 I N 0.085 120.758 120.570 0.171 0.000 2.229 284 I HA -0.341 3.828 4.170 -0.001 0.000 0.250 284 I C 2.382 178.578 176.117 0.132 0.000 1.096 284 I CA 2.053 63.449 61.300 0.159 0.000 1.358 284 I CB -0.560 37.558 38.000 0.197 0.000 1.047 284 I HN 0.296 nan 8.210 nan 0.000 0.422 285 I N -0.280 120.350 120.570 0.100 0.000 2.286 285 I HA -0.293 3.876 4.170 -0.001 0.000 0.248 285 I C 2.431 178.562 176.117 0.024 0.000 1.115 285 I CA 1.649 62.971 61.300 0.036 0.000 1.392 285 I CB -0.388 37.616 38.000 0.008 0.000 1.065 285 I HN 0.116 nan 8.210 nan 0.000 0.418 286 F N 0.895 120.874 119.950 0.048 0.000 2.186 286 F HA -0.122 4.404 4.527 -0.001 0.000 0.299 286 F C 2.728 178.531 175.800 0.005 0.000 1.090 286 F CA 0.877 58.885 58.000 0.014 0.000 1.307 286 F CB -0.031 38.992 39.000 0.039 0.000 1.019 286 F HN -0.117 nan 8.300 nan 0.000 0.489 287 R N -0.291 120.349 120.500 0.234 0.000 2.119 287 R HA -0.015 4.325 4.340 -0.001 0.000 0.222 287 R C 2.199 178.556 176.300 0.095 0.000 1.088 287 R CA 0.852 57.035 56.100 0.138 0.000 0.984 287 R CB -0.401 29.967 30.300 0.114 0.000 0.884 287 R HN 0.171 nan 8.270 nan 0.000 0.447 288 A N 0.647 123.516 122.820 0.082 0.000 2.168 288 A HA -0.012 4.307 4.320 -0.001 0.000 0.215 288 A C 1.691 179.279 177.584 0.006 0.000 1.152 288 A CA 0.774 52.834 52.037 0.039 0.000 0.716 288 A CB -0.113 18.902 19.000 0.026 0.000 0.794 288 A HN 0.189 nan 8.150 nan 0.000 0.465 289 L N -1.089 120.148 121.223 0.022 0.000 2.653 289 L HA 0.233 4.572 4.340 -0.001 0.000 0.231 289 L C 1.369 178.258 176.870 0.031 0.000 1.153 289 L CA 0.464 55.300 54.840 -0.007 0.000 0.933 289 L CB -0.015 42.034 42.059 -0.015 0.000 1.175 289 L HN 0.549 nan 8.230 nan 0.000 0.473 290 G N 1.231 110.057 108.800 0.045 0.000 2.160 290 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.244 290 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.244 290 G C 0.101 175.035 174.900 0.057 0.000 1.022 290 G CA -0.155 44.972 45.100 0.044 0.000 0.741 290 G HN 0.352 nan 8.290 nan 0.000 0.508 291 I N 0.822 121.436 120.570 0.073 0.000 2.750 291 I HA 0.316 4.485 4.170 -0.001 0.000 0.279 291 I C 1.629 177.781 176.117 0.057 0.000 1.206 291 I CA -0.756 60.579 61.300 0.060 0.000 1.101 291 I CB 0.379 38.387 38.000 0.013 0.000 1.431 291 I HN 0.070 nan 8.210 nan 0.000 0.551 292 I N 4.093 124.694 120.570 0.051 0.000 2.202 292 I HA -0.045 4.125 4.170 -0.001 0.000 0.242 292 I C -1.051 175.092 176.117 0.044 0.000 1.091 292 I CA 0.775 62.105 61.300 0.049 0.000 1.368 292 I CB -0.874 37.150 38.000 0.040 0.000 1.058 292 I HN 0.334 nan 8.210 nan 0.000 0.410 293 P HA 0.126 nan 4.420 nan 0.000 0.279 293 P C -1.103 176.206 177.300 0.016 0.000 1.239 293 P CA -0.167 62.950 63.100 0.027 0.000 0.789 293 P CB 0.790 32.501 31.700 0.019 0.000 0.933 294 D N 0.990 121.407 120.400 0.029 0.000 2.349 294 D HA 0.191 4.831 4.640 -0.001 0.000 0.239 294 D C 1.794 178.091 176.300 -0.004 0.000 1.315 294 D CA 0.877 54.890 54.000 0.021 0.000 0.937 294 D CB -0.535 40.288 40.800 0.038 0.000 1.133 294 D HN 0.680 nan 8.370 nan 0.000 0.489 295 G N -0.148 108.645 108.800 -0.013 0.000 2.746 295 G HA2 -0.475 3.484 3.960 -0.001 0.000 0.236 295 G HA3 -0.475 3.484 3.960 -0.001 0.000 0.236 295 G C 1.071 175.938 174.900 -0.054 0.000 1.172 295 G CA 1.002 46.087 45.100 -0.025 0.000 0.736 295 G HN 0.612 nan 8.290 nan 0.000 0.519 296 E N 0.267 120.430 120.200 -0.061 0.000 2.170 296 E HA 0.186 4.535 4.350 -0.001 0.000 0.191 296 E C 2.643 179.146 176.600 -0.161 0.000 0.981 296 E CA 0.633 56.973 56.400 -0.099 0.000 0.830 296 E CB -0.109 29.563 29.700 -0.047 0.000 0.775 296 E HN 0.665 nan 8.360 nan 0.000 0.470 297 I N 1.082 121.563 120.570 -0.149 0.000 2.315 297 I HA -0.239 3.930 4.170 -0.001 0.000 0.248 297 I C 2.066 178.036 176.117 -0.245 0.000 1.117 297 I CA 0.529 61.634 61.300 -0.324 0.000 1.404 297 I CB -0.073 37.772 38.000 -0.259 0.000 1.071 297 I HN 0.253 nan 8.210 nan 0.000 0.419 298 L N 0.440 121.599 121.223 -0.106 0.000 2.191 298 L HA -0.173 4.166 4.340 -0.001 0.000 0.212 298 L C 2.368 179.230 176.870 -0.012 0.000 1.103 298 L CA 1.682 56.503 54.840 -0.031 0.000 0.769 298 L CB -1.069 40.986 42.059 -0.008 0.000 0.908 298 L HN 0.397 nan 8.230 nan 0.000 0.438 299 E N -0.967 119.180 120.200 -0.088 0.000 2.152 299 E HA -0.169 4.181 4.350 -0.001 0.000 0.192 299 E C 1.903 178.495 176.600 -0.013 0.000 0.983 299 E CA 0.584 56.949 56.400 -0.059 0.000 0.818 299 E CB 0.005 29.602 29.700 -0.172 0.000 0.758 299 E HN 0.611 nan 8.360 nan 0.000 0.467 300 H N -0.107 118.911 119.070 -0.087 0.000 2.524 300 H HA 0.042 4.597 4.556 -0.001 0.000 0.282 300 H C 1.959 177.468 175.328 0.302 0.000 1.016 300 H CA 0.762 56.735 56.048 -0.125 0.000 1.270 300 H CB 0.391 29.875 29.762 -0.463 0.000 1.394 300 H HN 0.213 nan 8.280 nan 0.000 0.568 301 I N -0.855 119.887 120.570 0.288 0.000 2.947 301 I HA -0.027 4.142 4.170 -0.001 0.000 0.263 301 I C 0.868 176.966 176.117 -0.032 0.000 1.130 301 I CA 0.223 61.631 61.300 0.181 0.000 1.448 301 I CB 0.658 38.750 38.000 0.154 0.000 1.222 301 I HN 0.041 nan 8.210 nan 0.000 0.453 302 C N 1.271 120.605 119.300 0.056 0.000 2.264 302 C HA 0.317 4.777 4.460 -0.001 0.000 0.324 302 C C 0.989 176.136 174.990 0.261 0.000 1.267 302 C CA -0.406 58.621 59.018 0.015 0.000 1.618 302 C CB -0.711 27.050 27.740 0.035 0.000 2.278 302 C HN 0.436 nan 8.230 nan 0.000 0.499 303 Y N 2.683 123.083 120.300 0.167 0.000 2.461 303 Y HA 0.250 4.799 4.550 -0.001 0.000 0.277 303 Y C 1.005 176.999 175.900 0.157 0.000 1.182 303 Y CA -0.362 57.860 58.100 0.203 0.000 1.276 303 Y CB 0.244 38.873 38.460 0.282 0.000 1.087 303 Y HN 0.639 nan 8.280 nan 0.000 0.519 304 D N 0.143 120.686 120.400 0.238 0.000 2.763 304 D HA 0.137 4.776 4.640 -0.001 0.000 0.235 304 D C 0.130 176.500 176.300 0.116 0.000 1.334 304 D CA -0.179 53.921 54.000 0.166 0.000 0.950 304 D CB 2.457 43.344 40.800 0.146 0.000 1.433 304 D HN -0.086 nan 8.370 nan 0.000 0.580 305 V N 3.127 123.094 119.914 0.087 0.000 3.510 305 V HA 0.017 4.137 4.120 -0.001 0.000 0.270 305 V C 1.048 177.195 176.094 0.088 0.000 1.201 305 V CA 0.535 62.872 62.300 0.062 0.000 1.166 305 V CB -0.710 31.116 31.823 0.004 0.000 0.825 305 V HN 0.475 nan 8.190 nan 0.000 0.484 306 N N 1.164 119.930 118.700 0.110 0.000 2.671 306 N HA 0.134 4.874 4.740 -0.001 0.000 0.303 306 N C 0.122 175.761 175.510 0.215 0.000 1.351 306 N CA 0.132 53.272 53.050 0.150 0.000 0.991 306 N CB 0.577 39.133 38.487 0.114 0.000 1.307 306 N HN 0.358 nan 8.380 nan 0.000 0.512 307 D N 0.306 120.827 120.400 0.202 0.000 2.740 307 D HA 0.014 4.653 4.640 -0.001 0.000 0.301 307 D C 1.589 177.913 176.300 0.040 0.000 1.408 307 D CA -0.475 53.588 54.000 0.104 0.000 0.808 307 D CB 0.134 40.952 40.800 0.031 0.000 1.128 307 D HN 0.211 nan 8.370 nan 0.000 0.465 308 W N 1.104 122.406 121.300 0.003 0.000 2.207 308 W HA -0.358 4.302 4.660 -0.001 0.000 0.335 308 W C 1.285 177.803 176.519 -0.002 0.000 1.370 308 W CA 0.898 58.242 57.345 -0.001 0.000 1.396 308 W CB -1.306 28.152 29.460 -0.002 0.000 1.095 308 W HN 0.146 nan 8.180 nan 0.000 0.490 309 Q N 0.570 119.883 119.800 -0.813 0.000 1.935 309 Q HA -0.306 4.033 4.340 -0.001 0.000 0.212 309 Q C 2.490 178.315 176.000 -0.292 0.000 1.008 309 Q CA 2.829 58.205 55.803 -0.712 0.000 0.868 309 Q CB -0.990 27.275 28.738 -0.790 0.000 0.946 309 Q HN 0.510 nan 8.270 nan 0.000 0.418 310 M N 0.579 120.042 119.600 -0.228 0.000 2.113 310 M HA -0.266 4.213 4.480 -0.001 0.000 0.255 310 M C 2.124 178.385 176.300 -0.066 0.000 1.073 310 M CA 1.657 56.883 55.300 -0.124 0.000 1.091 310 M CB -0.217 32.324 32.600 -0.099 0.000 1.309 310 M HN 0.206 nan 8.290 nan 0.000 0.407 311 L N -0.030 121.174 121.223 -0.031 0.000 1.944 311 L HA -0.291 4.048 4.340 -0.001 0.000 0.218 311 L C 2.488 179.370 176.870 0.021 0.000 1.075 311 L CA 2.077 56.928 54.840 0.020 0.000 0.767 311 L CB -1.115 40.986 42.059 0.071 0.000 0.890 311 L HN 0.391 nan 8.230 nan 0.000 0.434 312 E N 0.191 120.412 120.200 0.035 0.000 2.119 312 E HA -0.327 4.022 4.350 -0.001 0.000 0.221 312 E C 2.140 178.744 176.600 0.007 0.000 1.062 312 E CA 2.219 58.642 56.400 0.038 0.000 0.894 312 E CB -0.341 29.384 29.700 0.042 0.000 0.785 312 E HN 0.190 nan 8.360 nan 0.000 0.472 313 M N -0.484 119.101 119.600 -0.025 0.000 2.146 313 M HA -0.261 4.218 4.480 -0.001 0.000 0.251 313 M C 2.430 178.730 176.300 -0.001 0.000 1.083 313 M CA 1.635 56.919 55.300 -0.027 0.000 1.076 313 M CB -1.071 31.499 32.600 -0.051 0.000 1.332 313 M HN 0.280 nan 8.290 nan 0.000 0.400 314 L N -1.102 120.127 121.223 0.010 0.000 2.156 314 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 314 L C 2.453 179.342 176.870 0.032 0.000 1.095 314 L CA 0.748 55.605 54.840 0.030 0.000 0.770 314 L CB -0.567 41.515 42.059 0.038 0.000 0.914 314 L HN 0.298 nan 8.230 nan 0.000 0.439 315 K N 0.410 120.824 120.400 0.024 0.000 2.015 315 K HA -0.221 4.098 4.320 -0.001 0.000 0.220 315 K C -0.346 176.264 176.600 0.016 0.000 1.055 315 K CA 2.266 58.564 56.287 0.019 0.000 0.951 315 K CB -1.406 31.103 32.500 0.015 0.000 0.725 315 K HN 0.289 nan 8.250 nan 0.000 0.449 316 P HA -0.208 nan 4.420 nan 0.000 0.218 316 P C 1.666 178.981 177.300 0.026 0.000 1.146 316 P CA 1.294 64.403 63.100 0.015 0.000 0.813 316 P CB -0.150 31.558 31.700 0.013 0.000 0.778 317 C N -0.093 119.228 119.300 0.036 0.000 2.473 317 C HA -0.096 4.363 4.460 -0.001 0.000 0.279 317 C C 2.806 177.836 174.990 0.067 0.000 1.250 317 C CA 0.851 59.900 59.018 0.052 0.000 1.713 317 C CB -1.398 26.381 27.740 0.064 0.000 2.066 317 C HN 0.072 nan 8.230 nan 0.000 0.474 318 V N 1.371 121.326 119.914 0.068 0.000 2.250 318 V HA -0.284 3.835 4.120 -0.001 0.000 0.250 318 V C 2.438 178.588 176.094 0.093 0.000 1.060 318 V CA 2.601 64.951 62.300 0.083 0.000 1.030 318 V CB -1.109 30.752 31.823 0.063 0.000 0.643 318 V HN 0.613 nan 8.190 nan 0.000 0.445 319 E N -0.398 119.834 120.200 0.053 0.000 2.284 319 E HA -0.321 4.028 4.350 -0.001 0.000 0.200 319 E C 1.877 178.543 176.600 0.109 0.000 1.008 319 E CA 1.557 57.985 56.400 0.047 0.000 0.829 319 E CB -0.229 29.466 29.700 -0.008 0.000 0.744 319 E HN 0.693 nan 8.360 nan 0.000 0.491 320 D N -0.453 119.999 120.400 0.087 0.000 2.103 320 D HA -0.071 4.569 4.640 -0.001 0.000 0.199 320 D C 1.922 178.277 176.300 0.093 0.000 0.978 320 D CA 1.368 55.413 54.000 0.074 0.000 0.829 320 D CB -0.204 40.624 40.800 0.047 0.000 0.981 320 D HN 0.173 nan 8.370 nan 0.000 0.464 321 G N -1.027 107.842 108.800 0.116 0.000 2.920 321 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.208 321 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.208 321 G C 1.131 176.099 174.900 0.113 0.000 1.159 321 G CA -0.146 45.017 45.100 0.105 0.000 0.784 321 G HN 0.280 nan 8.290 nan 0.000 0.535 322 F N 1.931 121.886 119.950 0.008 0.000 2.271 322 F HA -0.186 4.340 4.527 -0.001 0.000 0.302 322 F C 2.119 177.913 175.800 -0.009 0.000 1.063 322 F CA 1.175 59.177 58.000 0.003 0.000 1.362 322 F CB 0.082 39.081 39.000 -0.001 0.000 1.060 322 F HN 0.044 nan 8.300 nan 0.000 0.521 323 V N 0.138 119.928 119.914 -0.207 0.000 3.217 323 V HA -0.042 4.077 4.120 -0.001 0.000 0.264 323 V C 1.324 177.271 176.094 -0.245 0.000 1.135 323 V CA 0.594 62.706 62.300 -0.314 0.000 1.142 323 V CB -0.707 30.996 31.823 -0.199 0.000 0.754 323 V HN 0.117 nan 8.190 nan 0.000 0.484 324 I N -0.158 120.324 120.570 -0.147 0.000 2.707 324 I HA 0.425 4.595 4.170 -0.001 0.000 0.309 324 I C 0.570 176.647 176.117 -0.066 0.000 1.001 324 I CA -0.184 61.069 61.300 -0.078 0.000 1.129 324 I CB 1.989 39.991 38.000 0.002 0.000 1.308 324 I HN 0.024 nan 8.210 nan 0.000 0.466 325 Q N 2.428 122.206 119.800 -0.037 0.000 1.870 325 Q HA 0.141 4.480 4.340 -0.001 0.000 0.182 325 Q C -1.871 174.133 176.000 0.007 0.000 0.779 325 Q CA -0.196 55.597 55.803 -0.017 0.000 0.912 325 Q CB 0.508 29.214 28.738 -0.053 0.000 1.234 325 Q HN 0.750 nan 8.270 nan 0.000 0.404 326 D N -2.677 117.733 120.400 0.017 0.000 2.663 326 D HA 0.140 4.779 4.640 -0.001 0.000 0.233 326 D C 0.094 176.414 176.300 0.034 0.000 1.240 326 D CA -0.680 53.335 54.000 0.024 0.000 0.774 326 D CB 0.503 41.312 40.800 0.014 0.000 1.443 326 D HN -0.012 nan 8.370 nan 0.000 0.441 327 R N 0.454 120.975 120.500 0.035 0.000 2.154 327 R HA -0.203 4.136 4.340 -0.001 0.000 0.248 327 R C 1.300 177.622 176.300 0.036 0.000 1.155 327 R CA 2.064 58.186 56.100 0.037 0.000 0.979 327 R CB 0.100 30.419 30.300 0.031 0.000 0.869 327 R HN 0.593 nan 8.270 nan 0.000 0.452 328 E N -1.017 119.202 120.200 0.032 0.000 1.998 328 E HA -0.157 4.193 4.350 -0.001 0.000 0.196 328 E C 1.930 178.556 176.600 0.043 0.000 1.003 328 E CA 2.011 58.431 56.400 0.033 0.000 0.829 328 E CB -0.189 29.526 29.700 0.025 0.000 0.777 328 E HN 0.350 nan 8.360 nan 0.000 0.460 329 T N 1.487 116.065 114.554 0.039 0.000 2.699 329 T HA -0.244 4.105 4.350 -0.001 0.000 0.268 329 T C 1.949 176.700 174.700 0.086 0.000 1.036 329 T CA 1.304 63.434 62.100 0.051 0.000 1.147 329 T CB -0.451 68.431 68.868 0.023 0.000 0.862 329 T HN 0.294 nan 8.240 nan 0.000 0.446 330 A N 1.672 124.538 122.820 0.077 0.000 1.859 330 A HA -0.139 4.180 4.320 -0.001 0.000 0.218 330 A C 2.197 179.839 177.584 0.097 0.000 1.209 330 A CA 1.795 53.891 52.037 0.098 0.000 0.639 330 A CB -1.100 17.947 19.000 0.078 0.000 0.835 330 A HN 0.395 nan 8.150 nan 0.000 0.450 331 L N -0.081 121.180 121.223 0.064 0.000 2.191 331 L HA -0.150 4.189 4.340 -0.001 0.000 0.212 331 L C 2.051 178.957 176.870 0.059 0.000 1.103 331 L CA 2.152 57.019 54.840 0.045 0.000 0.769 331 L CB -0.820 41.259 42.059 0.033 0.000 0.908 331 L HN 0.631 nan 8.230 nan 0.000 0.438 332 D N -0.586 119.867 120.400 0.088 0.000 2.084 332 D HA -0.261 4.378 4.640 -0.001 0.000 0.196 332 D C 1.150 177.544 176.300 0.157 0.000 0.985 332 D CA 0.611 54.676 54.000 0.108 0.000 0.826 332 D CB -0.067 40.797 40.800 0.106 0.000 0.978 332 D HN 0.133 nan 8.370 nan 0.000 0.456 333 F N 1.320 121.282 119.950 0.020 0.000 2.651 333 F HA 0.290 4.816 4.527 -0.001 0.000 0.367 333 F C -0.507 175.305 175.800 0.020 0.000 1.225 333 F CA 0.024 58.035 58.000 0.020 0.000 1.310 333 F CB -0.665 38.343 39.000 0.014 0.000 1.724 333 F HN 0.029 nan 8.300 nan 0.000 0.662 334 I N 2.874 123.335 120.570 -0.182 0.000 2.727 334 I HA 0.250 4.419 4.170 -0.001 0.000 0.262 334 I C 0.044 176.104 176.117 -0.095 0.000 1.611 334 I CA -0.343 60.819 61.300 -0.231 0.000 0.849 334 I CB 0.306 38.217 38.000 -0.148 0.000 1.539 334 I HN 0.396 nan 8.210 nan 0.000 0.527 346 E N 0.084 120.309 120.200 0.042 0.000 4.807 346 E HA -0.420 3.929 4.350 -0.001 0.000 0.171 346 E C 1.236 177.863 176.600 0.045 0.000 1.266 346 E CA 2.402 58.825 56.400 0.039 0.000 2.327 346 E CB -1.016 28.702 29.700 0.030 0.000 1.829 346 E HN 0.676 nan 8.360 nan 0.000 0.414 347 K N 1.345 121.769 120.400 0.041 0.000 2.009 347 K HA -0.203 4.117 4.320 -0.001 0.000 0.210 347 K C 2.159 178.800 176.600 0.069 0.000 1.049 347 K CA 2.126 58.436 56.287 0.039 0.000 0.929 347 K CB -0.481 32.031 32.500 0.021 0.000 0.714 347 K HN 0.368 nan 8.250 nan 0.000 0.440 348 R N 1.151 121.704 120.500 0.088 0.000 2.115 348 R HA 0.021 4.360 4.340 -0.001 0.000 0.230 348 R C 2.326 178.709 176.300 0.139 0.000 1.111 348 R CA 1.357 57.543 56.100 0.145 0.000 0.976 348 R CB -0.860 29.521 30.300 0.135 0.000 0.870 348 R HN 0.193 nan 8.270 nan 0.000 0.445 349 I N 1.083 121.710 120.570 0.095 0.000 2.423 349 I HA -0.257 3.913 4.170 -0.001 0.000 0.254 349 I C 2.492 178.658 176.117 0.081 0.000 1.151 349 I CA 1.244 62.590 61.300 0.077 0.000 1.421 349 I CB -0.245 37.790 38.000 0.058 0.000 1.079 349 I HN 0.264 nan 8.210 nan 0.000 0.431 350 Q N 0.265 120.124 119.800 0.098 0.000 2.036 350 Q HA -0.208 4.132 4.340 -0.001 0.000 0.195 350 Q C 2.123 178.214 176.000 0.152 0.000 0.971 350 Q CA 1.422 57.285 55.803 0.100 0.000 0.826 350 Q CB -0.596 28.193 28.738 0.085 0.000 0.896 350 Q HN 0.424 nan 8.270 nan 0.000 0.449 351 Y N 0.633 120.947 120.300 0.023 0.000 2.181 351 Y HA -0.364 4.186 4.550 -0.001 0.000 0.279 351 Y C 1.870 177.784 175.900 0.024 0.000 1.228 351 Y CA 1.884 59.999 58.100 0.025 0.000 1.164 351 Y CB -0.957 37.522 38.460 0.031 0.000 0.959 351 Y HN 0.196 nan 8.280 nan 0.000 0.521 352 A N -0.167 122.667 122.820 0.024 0.000 1.854 352 A HA -0.156 4.163 4.320 -0.001 0.000 0.214 352 A C 2.350 179.914 177.584 -0.033 0.000 1.192 352 A CA 1.616 53.603 52.037 -0.083 0.000 0.611 352 A CB -0.613 18.362 19.000 -0.040 0.000 0.832 352 A HN 0.467 nan 8.150 nan 0.000 0.442 353 K N -0.104 120.304 120.400 0.013 0.000 2.032 353 K HA -0.231 4.089 4.320 -0.001 0.000 0.218 353 K C 1.739 178.347 176.600 0.013 0.000 1.054 353 K CA 1.935 58.231 56.287 0.014 0.000 0.941 353 K CB -0.444 32.074 32.500 0.031 0.000 0.720 353 K HN 0.507 nan 8.250 nan 0.000 0.449 354 D N 0.732 121.152 120.400 0.034 0.000 2.106 354 D HA -0.193 4.446 4.640 -0.001 0.000 0.191 354 D C 1.989 178.295 176.300 0.009 0.000 0.997 354 D CA 1.370 55.391 54.000 0.034 0.000 0.834 354 D CB -0.359 40.482 40.800 0.068 0.000 0.956 354 D HN 0.245 nan 8.370 nan 0.000 0.448 355 I N 0.778 121.331 120.570 -0.028 0.000 2.315 355 I HA -0.237 3.932 4.170 -0.001 0.000 0.251 355 I C 2.173 178.307 176.117 0.029 0.000 1.125 355 I CA 0.713 61.978 61.300 -0.059 0.000 1.392 355 I CB -0.142 37.753 38.000 -0.175 0.000 1.065 355 I HN -0.027 nan 8.210 nan 0.000 0.424 356 L N -0.317 120.917 121.223 0.018 0.000 2.591 356 L HA -0.018 4.322 4.340 -0.001 0.000 0.228 356 L C 2.018 178.891 176.870 0.005 0.000 1.133 356 L CA 0.407 55.255 54.840 0.013 0.000 0.880 356 L CB -0.085 41.925 42.059 -0.082 0.000 1.033 356 L HN 0.323 nan 8.230 nan 0.000 0.450 357 Q N -1.097 118.722 119.800 0.032 0.000 2.580 357 Q HA 0.064 4.403 4.340 -0.001 0.000 0.239 357 Q C 1.612 177.639 176.000 0.046 0.000 0.873 357 Q CA 0.173 55.995 55.803 0.031 0.000 0.951 357 Q CB 0.566 29.318 28.738 0.024 0.000 1.172 357 Q HN 0.256 nan 8.270 nan 0.000 0.616 358 K N 0.121 120.548 120.400 0.045 0.000 2.334 358 K HA 0.061 4.380 4.320 -0.001 0.000 0.195 358 K C 1.247 177.900 176.600 0.089 0.000 1.045 358 K CA 0.583 56.902 56.287 0.054 0.000 1.004 358 K CB 0.627 33.154 32.500 0.045 0.000 0.837 358 K HN 0.072 nan 8.250 nan 0.000 0.510 359 E N -0.181 120.060 120.200 0.068 0.000 2.399 359 E HA 0.051 4.400 4.350 -0.001 0.000 0.205 359 E C -0.057 176.616 176.600 0.121 0.000 0.906 359 E CA -0.127 56.306 56.400 0.055 0.000 0.998 359 E CB 0.287 29.937 29.700 -0.084 0.000 1.002 359 E HN 0.090 nan 8.360 nan 0.000 0.501 360 F N 2.485 122.439 119.950 0.006 0.000 2.445 360 F HA 0.131 4.657 4.527 -0.001 0.000 0.359 360 F C 0.799 176.630 175.800 0.052 0.000 1.101 360 F CA -0.799 57.216 58.000 0.025 0.000 1.177 360 F CB 0.544 39.548 39.000 0.006 0.000 1.110 360 F HN -0.146 nan 8.300 nan 0.000 0.522 361 L N 8.973 130.226 121.223 0.049 0.000 3.941 361 L HA -0.232 4.107 4.340 -0.001 0.000 0.455 361 L C -1.519 175.487 176.870 0.226 0.000 1.179 361 L CA 0.201 55.167 54.840 0.209 0.000 0.782 361 L CB -1.072 41.225 42.059 0.397 0.000 1.679 361 L HN 0.575 nan 8.230 nan 0.000 0.871 362 P HA -0.229 nan 4.420 nan 0.000 0.219 362 P C 0.759 178.117 177.300 0.098 0.000 1.145 362 P CA 1.980 65.162 63.100 0.136 0.000 0.813 362 P CB -0.490 31.308 31.700 0.163 0.000 0.771 363 H N -1.105 117.967 119.070 0.003 0.000 2.548 363 H HA 0.224 4.780 4.556 -0.001 0.000 0.366 363 H C 1.559 176.837 175.328 -0.085 0.000 1.433 363 H CA -0.198 55.828 56.048 -0.037 0.000 1.443 363 H CB 0.624 30.368 29.762 -0.030 0.000 1.594 363 H HN -0.036 nan 8.280 nan 0.000 0.608 364 I N -1.741 118.609 120.570 -0.366 0.000 4.801 364 I HA -0.357 3.813 4.170 -0.001 0.000 0.040 364 I C -0.135 175.786 176.117 -0.327 0.000 0.632 364 I CA 1.849 62.886 61.300 -0.438 0.000 0.573 364 I CB -1.282 36.347 38.000 -0.618 0.000 0.559 364 I HN 0.824 nan 8.210 nan 0.000 0.153 365 T N -0.277 114.095 114.554 -0.302 0.000 3.168 365 T HA 0.304 4.653 4.350 -0.001 0.000 0.373 365 T C -0.656 173.939 174.700 -0.175 0.000 1.681 365 T CA -0.421 61.490 62.100 -0.314 0.000 1.135 365 T CB 1.859 70.325 68.868 -0.670 0.000 1.477 365 T HN 0.375 nan 8.240 nan 0.000 0.480 366 Q N 1.677 121.401 119.800 -0.126 0.000 2.246 366 Q HA 0.352 4.692 4.340 -0.001 0.000 0.222 366 Q C 1.515 177.494 176.000 -0.034 0.000 0.851 366 Q CA -0.124 55.648 55.803 -0.050 0.000 0.945 366 Q CB 0.499 29.215 28.738 -0.036 0.000 1.122 366 Q HN 0.564 nan 8.270 nan 0.000 0.508 367 L N 0.581 121.766 121.223 -0.063 0.000 1.938 367 L HA -0.210 4.130 4.340 -0.001 0.000 0.244 367 L C 1.623 178.531 176.870 0.064 0.000 1.070 367 L CA 1.626 56.466 54.840 0.000 0.000 0.916 367 L CB -0.300 41.761 42.059 0.003 0.000 0.927 367 L HN 0.212 nan 8.230 nan 0.000 0.437 368 E N -1.766 118.528 120.200 0.157 0.000 3.875 368 E HA 0.083 4.432 4.350 -0.001 0.000 0.239 368 E C 1.177 177.898 176.600 0.201 0.000 1.293 368 E CA 0.401 56.887 56.400 0.143 0.000 1.646 368 E CB 0.100 29.854 29.700 0.090 0.000 1.954 368 E HN 0.470 nan 8.360 nan 0.000 0.686 369 G N 0.966 109.874 108.800 0.180 0.000 3.211 369 G HA2 0.000 3.960 3.960 -0.001 0.000 0.235 369 G HA3 0.000 3.960 3.960 -0.001 0.000 0.235 369 G C -0.306 174.458 174.900 -0.226 0.000 1.032 369 G CA 0.484 45.578 45.100 -0.011 0.000 1.819 369 G HN 0.061 nan 8.290 nan 0.000 0.590 370 F N -0.860 119.079 119.950 -0.017 0.000 2.777 370 F HA 0.289 4.816 4.527 -0.001 0.000 0.361 370 F C 1.206 176.996 175.800 -0.017 0.000 1.254 370 F CA -0.673 57.316 58.000 -0.019 0.000 1.181 370 F CB 0.903 39.885 39.000 -0.029 0.000 1.082 370 F HN 0.065 nan 8.300 nan 0.000 0.510 371 E N 0.242 120.491 120.200 0.082 0.000 2.160 371 E HA -0.172 4.177 4.350 -0.001 0.000 0.195 371 E C 2.303 178.944 176.600 0.068 0.000 0.991 371 E CA 1.776 58.199 56.400 0.037 0.000 0.810 371 E CB -0.292 29.414 29.700 0.010 0.000 0.742 371 E HN 0.364 nan 8.360 nan 0.000 0.466 372 S N -0.222 115.534 115.700 0.093 0.000 2.414 372 S HA -0.035 4.435 4.470 -0.001 0.000 0.227 372 S C 2.011 176.783 174.600 0.287 0.000 1.022 372 S CA 0.575 58.889 58.200 0.188 0.000 0.958 372 S CB -0.047 63.255 63.200 0.169 0.000 0.797 372 S HN 0.067 nan 8.310 nan 0.000 0.493 373 R N 1.232 121.850 120.500 0.196 0.000 2.115 373 R HA 0.148 4.488 4.340 -0.001 0.000 0.226 373 R C 2.325 178.793 176.300 0.280 0.000 1.100 373 R CA 1.107 57.328 56.100 0.202 0.000 0.980 373 R CB -0.064 30.369 30.300 0.221 0.000 0.875 373 R HN 0.410 nan 8.270 nan 0.000 0.445 374 K N -0.409 120.122 120.400 0.218 0.000 2.062 374 K HA -0.015 4.305 4.320 -0.001 0.000 0.205 374 K C 2.029 178.812 176.600 0.306 0.000 1.051 374 K CA 1.086 57.502 56.287 0.215 0.000 0.941 374 K CB -0.015 32.498 32.500 0.021 0.000 0.719 374 K HN 0.120 nan 8.250 nan 0.000 0.440 375 A N 1.085 124.042 122.820 0.227 0.000 1.865 375 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 375 A C 1.895 179.736 177.584 0.427 0.000 1.191 375 A CA 1.377 53.564 52.037 0.250 0.000 0.623 375 A CB -0.924 18.139 19.000 0.105 0.000 0.826 375 A HN 0.226 nan 8.150 nan 0.000 0.444 376 F N -1.805 118.382 119.950 0.394 0.000 2.307 376 F HA -0.139 4.388 4.527 -0.001 0.000 0.301 376 F C 1.884 178.177 175.800 0.820 0.000 1.076 376 F CA 1.309 59.689 58.000 0.634 0.000 1.383 376 F CB -0.335 38.948 39.000 0.472 0.000 1.055 376 F HN 0.321 nan 8.300 nan 0.000 0.526 377 F N -0.436 119.918 119.950 0.674 0.000 2.147 377 F HA -0.060 4.467 4.527 -0.001 0.000 0.291 377 F C 2.183 178.259 175.800 0.461 0.000 1.093 377 F CA 0.692 59.047 58.000 0.591 0.000 1.263 377 F CB -0.755 38.529 39.000 0.474 0.000 1.036 377 F HN -0.131 nan 8.300 nan 0.000 0.481 378 L N 0.528 122.051 121.223 0.500 0.000 2.263 378 L HA -0.074 4.266 4.340 -0.001 0.000 0.216 378 L C 2.044 179.037 176.870 0.204 0.000 1.111 378 L CA 2.101 57.087 54.840 0.244 0.000 0.773 378 L CB -1.607 40.497 42.059 0.076 0.000 0.906 378 L HN 0.200 nan 8.230 nan 0.000 0.439 379 G N -1.798 107.249 108.800 0.412 0.000 2.404 379 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.213 379 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.213 379 G C 1.470 176.568 174.900 0.330 0.000 1.189 379 G CA 0.560 45.947 45.100 0.478 0.000 0.796 379 G HN 0.489 nan 8.290 nan 0.000 0.532 380 Y N 0.931 121.366 120.300 0.225 0.000 2.365 380 Y HA -0.069 4.480 4.550 -0.001 0.000 0.287 380 Y C 2.585 178.390 175.900 -0.158 0.000 1.162 380 Y CA 1.304 59.403 58.100 -0.002 0.000 1.260 380 Y CB -0.083 38.270 38.460 -0.179 0.000 0.976 380 Y HN 0.153 nan 8.280 nan 0.000 0.548 381 M N -1.139 118.337 119.600 -0.206 0.000 2.155 381 M HA -0.090 4.389 4.480 -0.001 0.000 0.258 381 M C 2.087 178.271 176.300 -0.193 0.000 1.092 381 M CA 1.416 56.542 55.300 -0.289 0.000 1.153 381 M CB -0.296 32.199 32.600 -0.175 0.000 1.316 381 M HN 0.120 nan 8.290 nan 0.000 0.431 382 I N 0.716 121.248 120.570 -0.064 0.000 2.381 382 I HA -0.350 3.819 4.170 -0.001 0.000 0.255 382 I C 1.946 178.020 176.117 -0.072 0.000 1.140 382 I CA 1.164 62.449 61.300 -0.026 0.000 1.404 382 I CB -0.851 37.193 38.000 0.074 0.000 1.075 382 I HN 0.443 nan 8.210 nan 0.000 0.433 383 N N 1.173 119.801 118.700 -0.120 0.000 2.063 383 N HA -0.168 4.571 4.740 -0.001 0.000 0.192 383 N C 1.965 177.345 175.510 -0.216 0.000 1.071 383 N CA 1.305 54.245 53.050 -0.184 0.000 0.858 383 N CB -0.040 38.296 38.487 -0.251 0.000 1.050 383 N HN -0.044 nan 8.380 nan 0.000 0.434 384 R N 0.194 120.491 120.500 -0.339 0.000 2.224 384 R HA -0.237 4.102 4.340 -0.001 0.000 0.255 384 R C 2.197 178.375 176.300 -0.202 0.000 1.130 384 R CA 1.550 57.455 56.100 -0.324 0.000 0.957 384 R CB -1.720 28.289 30.300 -0.485 0.000 0.907 384 R HN 0.463 nan 8.270 nan 0.000 0.446 385 L N 1.006 122.120 121.223 -0.181 0.000 1.991 385 L HA -0.241 4.099 4.340 -0.001 0.000 0.221 385 L C 2.418 179.256 176.870 -0.054 0.000 1.079 385 L CA 1.880 56.661 54.840 -0.099 0.000 0.778 385 L CB -0.538 41.475 42.059 -0.077 0.000 0.893 385 L HN 0.163 nan 8.230 nan 0.000 0.437 386 L N -1.772 119.406 121.223 -0.074 0.000 2.005 386 L HA -0.234 4.105 4.340 -0.001 0.000 0.207 386 L C 2.504 179.336 176.870 -0.063 0.000 1.072 386 L CA 1.007 55.805 54.840 -0.069 0.000 0.744 386 L CB -0.747 41.265 42.059 -0.078 0.000 0.895 386 L HN 0.249 nan 8.230 nan 0.000 0.433 387 L N -0.392 120.782 121.223 -0.083 0.000 2.171 387 L HA -0.352 3.987 4.340 -0.001 0.000 0.216 387 L C 2.713 179.560 176.870 -0.038 0.000 1.084 387 L CA 1.790 56.587 54.840 -0.072 0.000 0.771 387 L CB -0.925 41.081 42.059 -0.088 0.000 0.890 387 L HN 0.479 nan 8.230 nan 0.000 0.437 388 C N -1.222 118.071 119.300 -0.012 0.000 2.522 388 C HA 0.097 4.557 4.460 -0.001 0.000 0.280 388 C C 2.949 178.012 174.990 0.122 0.000 1.303 388 C CA 0.382 59.426 59.018 0.044 0.000 1.709 388 C CB -0.989 26.780 27.740 0.048 0.000 2.071 388 C HN 0.566 nan 8.230 nan 0.000 0.492 389 A N 0.081 122.979 122.820 0.130 0.000 2.234 389 A HA 0.069 4.389 4.320 -0.001 0.000 0.216 389 A C 1.424 178.984 177.584 -0.039 0.000 1.167 389 A CA 1.182 53.208 52.037 -0.018 0.000 0.698 389 A CB -0.563 18.299 19.000 -0.229 0.000 0.779 389 A HN 0.726 nan 8.150 nan 0.000 0.475 390 L N -0.728 120.478 121.223 -0.027 0.000 3.141 390 L HA 0.197 4.537 4.340 -0.001 0.000 0.267 390 L C -0.830 176.021 176.870 -0.031 0.000 1.281 390 L CA -0.520 54.286 54.840 -0.056 0.000 1.037 390 L CB -0.382 41.621 42.059 -0.093 0.000 1.407 390 L HN 0.136 nan 8.230 nan 0.000 0.566 391 D N 1.527 121.930 120.400 0.005 0.000 2.916 391 D HA -0.218 4.421 4.640 -0.001 0.000 0.211 391 D C 1.142 177.438 176.300 -0.007 0.000 1.260 391 D CA 0.747 54.753 54.000 0.009 0.000 0.711 391 D CB -0.201 40.604 40.800 0.009 0.000 0.915 391 D HN 0.402 nan 8.370 nan 0.000 0.391 392 R N -0.099 120.395 120.500 -0.011 0.000 2.412 392 R HA 0.157 4.496 4.340 -0.001 0.000 0.212 392 R C 0.192 176.486 176.300 -0.010 0.000 0.878 392 R CA 0.003 56.094 56.100 -0.015 0.000 1.022 392 R CB 0.745 31.028 30.300 -0.028 0.000 1.265 392 R HN -0.087 nan 8.270 nan 0.000 0.620 393 K N 1.679 122.071 120.400 -0.013 0.000 2.541 393 K HA 0.216 4.535 4.320 -0.001 0.000 0.250 393 K C -1.254 175.339 176.600 -0.012 0.000 0.950 393 K CA -0.451 55.827 56.287 -0.015 0.000 0.805 393 K CB 2.094 34.573 32.500 -0.035 0.000 1.166 393 K HN 0.021 nan 8.250 nan 0.000 0.430 394 D N 1.673 122.071 120.400 -0.002 0.000 2.341 394 D HA -0.119 4.520 4.640 -0.001 0.000 0.235 394 D C 0.616 176.914 176.300 -0.003 0.000 1.265 394 D CA 0.561 54.563 54.000 0.003 0.000 0.888 394 D CB 0.838 41.650 40.800 0.019 0.000 1.192 394 D HN 0.365 nan 8.370 nan 0.000 0.462 395 Q N 0.400 120.203 119.800 0.006 0.000 2.417 395 Q HA -0.008 4.331 4.340 -0.001 0.000 0.241 395 Q C -0.515 175.534 176.000 0.082 0.000 1.008 395 Q CA -0.274 55.549 55.803 0.034 0.000 0.901 395 Q CB 0.762 29.530 28.738 0.050 0.000 1.259 395 Q HN 0.279 nan 8.270 nan 0.000 0.489 396 D N 1.785 122.262 120.400 0.129 0.000 2.345 396 D HA 0.025 4.664 4.640 -0.001 0.000 0.247 396 D C -0.882 175.567 176.300 0.248 0.000 1.108 396 D CA 0.152 54.237 54.000 0.141 0.000 0.894 396 D CB 0.831 41.640 40.800 0.014 0.000 1.203 396 D HN 0.512 nan 8.370 nan 0.000 0.430 397 D N 1.920 122.424 120.400 0.174 0.000 2.317 397 D HA 0.049 4.688 4.640 -0.001 0.000 0.252 397 D C 0.716 177.097 176.300 0.134 0.000 1.174 397 D CA -0.245 53.851 54.000 0.159 0.000 0.866 397 D CB 0.729 41.645 40.800 0.193 0.000 1.127 397 D HN 0.253 nan 8.370 nan 0.000 0.467 398 R N 2.053 122.608 120.500 0.092 0.000 2.299 398 R HA 0.010 4.349 4.340 -0.001 0.000 0.197 398 R C -0.079 176.217 176.300 -0.007 0.000 0.971 398 R CA 0.494 56.630 56.100 0.059 0.000 1.030 398 R CB 0.477 30.774 30.300 -0.004 0.000 0.932 398 R HN 0.389 nan 8.270 nan 0.000 0.477 399 D N -0.324 120.025 120.400 -0.084 0.000 2.772 399 D HA 0.006 4.645 4.640 -0.001 0.000 0.272 399 D C -0.525 175.269 176.300 -0.843 0.000 1.314 399 D CA -0.025 53.818 54.000 -0.262 0.000 0.835 399 D CB 0.230 40.974 40.800 -0.093 0.000 1.080 399 D HN 0.101 nan 8.370 nan 0.000 0.482 400 H N 1.054 119.801 119.070 -0.539 0.000 2.741 400 H HA 0.045 4.601 4.556 -0.001 0.000 0.282 400 H C 0.815 176.033 175.328 -0.183 0.000 1.122 400 H CA -0.732 55.047 56.048 -0.449 0.000 1.293 400 H CB 0.043 29.721 29.762 -0.139 0.000 1.415 400 H HN -0.080 nan 8.280 nan 0.000 0.472 401 F N 3.985 123.817 119.950 -0.196 0.000 2.135 401 F HA -0.222 4.304 4.527 -0.001 0.000 0.300 401 F C 2.365 178.198 175.800 0.055 0.000 1.074 401 F CA 2.087 60.042 58.000 -0.075 0.000 1.262 401 F CB -0.707 38.258 39.000 -0.058 0.000 1.013 401 F HN 0.722 nan 8.300 nan 0.000 0.489 402 G N -0.797 108.176 108.800 0.288 0.000 2.499 402 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.221 402 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.221 402 G C 1.445 176.245 174.900 -0.167 0.000 1.109 402 G CA 0.735 45.850 45.100 0.025 0.000 0.749 402 G HN 0.379 nan 8.290 nan 0.000 0.568 403 K N 0.132 120.435 120.400 -0.160 0.000 2.576 403 K HA 0.206 4.526 4.320 -0.001 0.000 0.209 403 K C -0.141 176.359 176.600 -0.166 0.000 1.049 403 K CA -0.105 56.068 56.287 -0.191 0.000 1.140 403 K CB 0.603 33.007 32.500 -0.159 0.000 0.871 403 K HN 0.055 nan 8.250 nan 0.000 0.479 404 K N 1.349 121.614 120.400 -0.225 0.000 2.259 404 K HA 0.431 4.750 4.320 -0.001 0.000 0.252 404 K C -0.301 176.111 176.600 -0.312 0.000 0.936 404 K CA -0.878 55.262 56.287 -0.245 0.000 0.810 404 K CB 2.085 34.407 32.500 -0.297 0.000 1.143 404 K HN -0.105 nan 8.250 nan 0.000 0.427 405 R N 1.899 122.274 120.500 -0.209 0.000 2.744 405 R HA 0.524 4.863 4.340 -0.001 0.000 0.279 405 R C -0.518 175.711 176.300 -0.119 0.000 0.977 405 R CA -0.823 55.172 56.100 -0.174 0.000 0.906 405 R CB 1.295 31.519 30.300 -0.126 0.000 1.197 405 R HN 0.537 nan 8.270 nan 0.000 0.463 406 L N 2.788 123.952 121.223 -0.098 0.000 2.408 406 L HA 0.306 4.645 4.340 -0.001 0.000 0.257 406 L C -0.365 176.487 176.870 -0.029 0.000 1.053 406 L CA -0.853 53.955 54.840 -0.053 0.000 0.922 406 L CB 1.220 43.253 42.059 -0.044 0.000 1.261 406 L HN 0.308 nan 8.230 nan 0.000 0.458 407 D N 1.936 122.325 120.400 -0.018 0.000 2.478 407 D HA 0.213 4.852 4.640 -0.001 0.000 0.234 407 D C -0.070 176.232 176.300 0.004 0.000 1.154 407 D CA 0.481 54.484 54.000 0.005 0.000 0.874 407 D CB 2.055 42.865 40.800 0.016 0.000 1.198 407 D HN 0.113 nan 8.370 nan 0.000 0.455 408 L N 0.871 122.111 121.223 0.028 0.000 2.177 408 L HA 0.490 4.829 4.340 -0.001 0.000 0.255 408 L C 1.467 178.371 176.870 0.056 0.000 1.065 408 L CA -0.438 54.420 54.840 0.030 0.000 0.982 408 L CB 0.624 42.706 42.059 0.038 0.000 1.559 408 L HN 0.386 nan 8.230 nan 0.000 0.492 409 A N 0.076 122.941 122.820 0.075 0.000 1.940 409 A HA -0.188 4.131 4.320 -0.001 0.000 0.221 409 A C 1.738 179.399 177.584 0.128 0.000 1.190 409 A CA 2.551 54.660 52.037 0.121 0.000 0.647 409 A CB -1.660 17.459 19.000 0.198 0.000 0.821 409 A HN 0.898 nan 8.150 nan 0.000 0.457 410 G N -0.644 108.241 108.800 0.142 0.000 2.605 410 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.215 410 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.215 410 G C -0.254 174.646 174.900 0.001 0.000 1.279 410 G CA 1.017 46.168 45.100 0.086 0.000 0.831 410 G HN 0.436 nan 8.290 nan 0.000 0.560 411 P HA -0.165 nan 4.420 nan 0.000 0.221 411 P C 1.979 179.346 177.300 0.112 0.000 1.153 411 P CA 1.004 64.179 63.100 0.126 0.000 0.858 411 P CB -0.108 31.656 31.700 0.106 0.000 0.783 412 L N -1.855 119.438 121.223 0.116 0.000 1.976 412 L HA -0.180 4.160 4.340 -0.001 0.000 0.209 412 L C 2.489 179.448 176.870 0.150 0.000 1.071 412 L CA 1.482 56.486 54.840 0.275 0.000 0.746 412 L CB -1.066 41.198 42.059 0.343 0.000 0.890 412 L HN -0.040 nan 8.230 nan 0.000 0.432 413 L N -0.506 120.648 121.223 -0.116 0.000 2.127 413 L HA -0.241 4.098 4.340 -0.001 0.000 0.211 413 L C 2.816 179.542 176.870 -0.241 0.000 1.089 413 L CA 0.990 55.598 54.840 -0.386 0.000 0.757 413 L CB -0.849 40.705 42.059 -0.841 0.000 0.899 413 L HN 0.292 nan 8.230 nan 0.000 0.434 414 A N -0.135 122.611 122.820 -0.125 0.000 1.837 414 A HA -0.352 3.967 4.320 -0.001 0.000 0.216 414 A C 2.215 179.912 177.584 0.188 0.000 1.210 414 A CA 2.135 54.355 52.037 0.304 0.000 0.632 414 A CB -0.972 18.214 19.000 0.310 0.000 0.843 414 A HN 0.457 nan 8.150 nan 0.000 0.448 415 Q N -0.786 119.089 119.800 0.124 0.000 2.182 415 Q HA -0.257 4.083 4.340 -0.001 0.000 0.213 415 Q C 2.072 178.080 176.000 0.013 0.000 1.000 415 Q CA 2.058 57.914 55.803 0.089 0.000 0.889 415 Q CB -0.299 28.521 28.738 0.137 0.000 0.932 415 Q HN 0.704 nan 8.270 nan 0.000 0.415 416 L N -0.714 120.455 121.223 -0.090 0.000 1.961 416 L HA -0.185 4.154 4.340 -0.001 0.000 0.209 416 L C 2.341 179.236 176.870 0.042 0.000 1.075 416 L CA 1.161 55.880 54.840 -0.200 0.000 0.749 416 L CB -0.637 41.145 42.059 -0.463 0.000 0.890 416 L HN 0.313 nan 8.230 nan 0.000 0.433 417 F N 1.153 121.076 119.950 -0.046 0.000 2.085 417 F HA -0.320 4.207 4.527 -0.001 0.000 0.299 417 F C 2.455 178.304 175.800 0.082 0.000 1.096 417 F CA 1.676 59.706 58.000 0.050 0.000 1.227 417 F CB -0.530 38.579 39.000 0.183 0.000 0.983 417 F HN 0.010 nan 8.300 nan 0.000 0.482 418 K N -0.570 119.913 120.400 0.139 0.000 1.965 418 K HA -0.184 4.135 4.320 -0.001 0.000 0.220 418 K C 1.800 178.407 176.600 0.011 0.000 1.046 418 K CA 2.419 58.715 56.287 0.014 0.000 0.974 418 K CB -0.951 31.561 32.500 0.020 0.000 0.738 418 K HN 0.161 nan 8.250 nan 0.000 0.444 419 T N 2.077 116.637 114.554 0.010 0.000 2.896 419 T HA -0.157 4.192 4.350 -0.001 0.000 0.270 419 T C 1.701 176.395 174.700 -0.010 0.000 1.104 419 T CA 1.037 63.129 62.100 -0.014 0.000 1.115 419 T CB -0.094 68.763 68.868 -0.019 0.000 0.843 419 T HN 0.152 nan 8.240 nan 0.000 0.523 420 L N -1.013 120.237 121.223 0.046 0.000 2.269 420 L HA 0.216 4.555 4.340 -0.001 0.000 0.200 420 L C 2.144 179.089 176.870 0.124 0.000 1.069 420 L CA 0.496 55.384 54.840 0.080 0.000 0.804 420 L CB -0.333 41.808 42.059 0.136 0.000 0.987 420 L HN 0.165 nan 8.230 nan 0.000 0.468 421 F N 1.580 121.501 119.950 -0.049 0.000 2.269 421 F HA -0.171 4.355 4.527 -0.001 0.000 0.301 421 F C 2.179 177.873 175.800 -0.177 0.000 1.082 421 F CA 1.413 59.316 58.000 -0.161 0.000 1.360 421 F CB -0.282 38.429 39.000 -0.481 0.000 1.041 421 F HN -0.098 nan 8.300 nan 0.000 0.512 422 K N -0.033 120.176 120.400 -0.319 0.000 2.288 422 K HA -0.117 4.203 4.320 -0.001 0.000 0.201 422 K C 2.027 178.477 176.600 -0.251 0.000 1.048 422 K CA 0.806 56.852 56.287 -0.402 0.000 0.956 422 K CB -0.101 32.240 32.500 -0.264 0.000 0.746 422 K HN 0.200 nan 8.250 nan 0.000 0.461 423 K N 0.754 121.073 120.400 -0.134 0.000 2.366 423 K HA -0.037 4.283 4.320 -0.001 0.000 0.198 423 K C 1.807 178.376 176.600 -0.052 0.000 1.044 423 K CA 0.263 56.505 56.287 -0.076 0.000 0.973 423 K CB 0.216 32.694 32.500 -0.037 0.000 0.767 423 K HN -0.002 nan 8.250 nan 0.000 0.475 424 L N 0.215 121.403 121.223 -0.058 0.000 2.145 424 L HA 0.000 4.339 4.340 -0.001 0.000 0.201 424 L C 1.819 178.656 176.870 -0.053 0.000 1.075 424 L CA 1.746 56.589 54.840 0.006 0.000 0.773 424 L CB -0.490 41.648 42.059 0.132 0.000 0.936 424 L HN -0.049 nan 8.230 nan 0.000 0.451 425 T N 0.509 114.908 114.554 -0.258 0.000 2.881 425 T HA -0.161 4.188 4.350 -0.001 0.000 0.270 425 T C 1.277 175.875 174.700 -0.170 0.000 1.068 425 T CA 1.633 63.555 62.100 -0.297 0.000 1.131 425 T CB -0.257 68.226 68.868 -0.642 0.000 0.871 425 T HN 0.506 nan 8.240 nan 0.000 0.479 426 K N 0.131 120.440 120.400 -0.152 0.000 2.576 426 K HA 0.255 4.575 4.320 -0.001 0.000 0.209 426 K C 0.480 177.103 176.600 0.039 0.000 1.049 426 K CA -0.007 56.217 56.287 -0.105 0.000 1.140 426 K CB 0.557 32.967 32.500 -0.151 0.000 0.871 426 K HN 0.025 nan 8.250 nan 0.000 0.479 427 D N 0.381 120.826 120.400 0.077 0.000 2.415 427 D HA 0.195 4.835 4.640 -0.001 0.000 0.269 427 D C 1.551 177.950 176.300 0.165 0.000 1.099 427 D CA 0.135 54.201 54.000 0.111 0.000 0.865 427 D CB 0.508 41.350 40.800 0.070 0.000 1.359 427 D HN 0.192 nan 8.370 nan 0.000 0.506 428 I N 0.782 121.455 120.570 0.172 0.000 2.493 428 I HA -0.205 3.965 4.170 -0.001 0.000 0.254 428 I C 2.084 178.383 176.117 0.303 0.000 1.160 428 I CA 0.657 62.081 61.300 0.208 0.000 1.445 428 I CB -0.080 38.056 38.000 0.227 0.000 1.086 428 I HN -0.065 nan 8.210 nan 0.000 0.433 429 F N 1.656 121.658 119.950 0.086 0.000 2.146 429 F HA -0.076 4.451 4.527 -0.001 0.000 0.298 429 F C 2.349 178.201 175.800 0.087 0.000 1.096 429 F CA 1.361 59.406 58.000 0.074 0.000 1.275 429 F CB -0.271 38.752 39.000 0.039 0.000 1.008 429 F HN -0.105 nan 8.300 nan 0.000 0.480 430 R N -1.595 119.060 120.500 0.258 0.000 2.346 430 R HA -0.143 4.196 4.340 -0.001 0.000 0.199 430 R C 1.071 177.471 176.300 0.167 0.000 1.015 430 R CA 0.460 56.658 56.100 0.162 0.000 1.058 430 R CB -0.416 29.973 30.300 0.148 0.000 0.921 430 R HN 0.378 nan 8.270 nan 0.000 0.475 431 Y N -0.221 120.101 120.300 0.037 0.000 2.539 431 Y HA 0.130 4.679 4.550 -0.001 0.000 0.284 431 Y C 1.928 177.819 175.900 -0.016 0.000 1.134 431 Y CA 0.519 58.631 58.100 0.021 0.000 1.251 431 Y CB 0.306 38.791 38.460 0.042 0.000 1.260 431 Y HN -0.162 nan 8.280 nan 0.000 0.528 432 M N -0.118 119.518 119.600 0.060 0.000 2.123 432 M HA -0.180 4.299 4.480 -0.001 0.000 0.263 432 M C 1.733 177.942 176.300 -0.152 0.000 1.069 432 M CA 1.603 56.862 55.300 -0.068 0.000 1.133 432 M CB -0.402 32.153 32.600 -0.074 0.000 1.356 432 M HN 0.155 nan 8.290 nan 0.000 0.415 433 Q N 0.198 119.888 119.800 -0.184 0.000 2.576 433 Q HA -0.113 4.226 4.340 -0.001 0.000 0.218 433 Q C 1.512 177.442 176.000 -0.117 0.000 0.983 433 Q CA 0.847 56.545 55.803 -0.174 0.000 0.920 433 Q CB -0.054 28.579 28.738 -0.174 0.000 0.973 433 Q HN 0.507 nan 8.270 nan 0.000 0.528 434 R N -1.154 119.269 120.500 -0.129 0.000 2.369 434 R HA 0.094 4.434 4.340 -0.001 0.000 0.210 434 R C 0.357 176.558 176.300 -0.165 0.000 0.881 434 R CA 0.119 56.143 56.100 -0.127 0.000 1.031 434 R CB 0.731 30.960 30.300 -0.119 0.000 1.184 434 R HN -0.082 nan 8.270 nan 0.000 0.581 435 T N 2.155 116.581 114.554 -0.214 0.000 3.416 435 T HA 0.018 4.367 4.350 -0.001 0.000 0.247 435 T C 1.260 175.884 174.700 -0.127 0.000 0.973 435 T CA 0.093 62.067 62.100 -0.210 0.000 1.166 435 T CB 0.437 69.172 68.868 -0.223 0.000 1.040 435 T HN -0.071 nan 8.240 nan 0.000 0.746 436 V N 2.397 122.249 119.914 -0.105 0.000 3.186 436 V HA -0.018 4.102 4.120 -0.001 0.000 0.270 436 V C 1.070 177.127 176.094 -0.062 0.000 1.149 436 V CA 1.296 63.553 62.300 -0.073 0.000 1.160 436 V CB -0.975 30.812 31.823 -0.059 0.000 0.758 436 V HN 0.808 nan 8.190 nan 0.000 0.516 437 E N -1.777 118.381 120.200 -0.070 0.000 0.000 437 E HA 0.575 4.924 4.350 -0.001 0.000 0.000 437 E C -0.634 nan 176.600 nan 0.000 0.000 437 E CA 0.043 56.412 56.400 -0.052 0.000 0.000 437 E CB 1.402 31.070 29.700 -0.054 0.000 0.000 437 E HN 0.053 nan 8.360 nan 0.000 0.000 438 E N -0.518 119.658 120.200 -0.040 0.000 0.000 438 E HA 0.550 4.899 4.350 -0.001 0.000 0.000 438 E C -1.182 175.406 176.600 -0.019 0.000 0.000 438 E CA 0.062 56.444 56.400 -0.031 0.000 0.000 438 E CB 0.712 30.401 29.700 -0.019 0.000 0.000 438 E HN 0.696 nan 8.360 nan 0.000 0.000 439 A N 0.449 123.266 122.820 -0.004 0.000 2.603 439 A HA 0.674 4.994 4.320 -0.001 0.000 0.277 439 A C 0.934 178.533 177.584 0.024 0.000 1.158 439 A CA 1.098 53.126 52.037 -0.015 0.000 0.962 439 A CB -0.799 18.181 19.000 -0.034 0.000 1.189 439 A HN 1.965 nan 8.150 nan 0.000 0.552 440 H N -1.345 117.741 119.070 0.027 0.000 2.499 440 H HA 0.672 5.227 4.556 -0.001 0.000 0.352 440 H C -0.321 175.026 175.328 0.030 0.000 1.237 440 H CA 0.125 56.200 56.048 0.044 0.000 1.343 440 H CB 0.514 nan 29.762 nan 0.000 1.578 440 H HN 0.660 nan 8.280 nan 0.000 0.577 441 D N -0.928 119.489 120.400 0.030 0.000 2.696 441 D HA 0.542 5.181 4.640 -0.001 0.000 0.251 441 D C -0.059 176.244 176.300 0.004 0.000 1.188 441 D CA -0.164 53.845 54.000 0.014 0.000 0.876 441 D CB 0.287 41.096 40.800 0.015 0.000 1.334 441 D HN 1.391 nan 8.370 nan 0.000 0.540 442 F N 0.222 120.170 119.950 -0.003 0.000 2.546 442 F HA 0.439 4.965 4.527 -0.001 0.000 0.388 442 F C 1.700 177.490 175.800 -0.017 0.000 1.051 442 F CA 0.122 58.116 58.000 -0.011 0.000 1.130 442 F CB -1.684 37.310 39.000 -0.011 0.000 1.044 442 F HN 1.366 nan 8.300 nan 0.000 0.553 443 N N 0.712 119.397 118.700 -0.024 0.000 2.693 443 N HA 0.285 5.024 4.740 -0.001 0.000 0.269 443 N C 0.125 175.616 175.510 -0.031 0.000 1.023 443 N CA 1.551 54.581 53.050 -0.034 0.000 0.882 443 N CB -1.491 nan 38.487 nan 0.000 0.981 443 N HN 2.453 nan 8.380 nan 0.000 0.603 444 M N -1.465 118.124 119.600 -0.017 0.000 2.085 444 M HA 0.806 5.285 4.480 -0.001 0.000 0.309 444 M C 0.373 176.673 176.300 -0.000 0.000 0.947 444 M CA -0.065 55.227 55.300 -0.013 0.000 0.918 444 M CB 0.255 32.849 32.600 -0.009 0.000 1.504 444 M HN 1.137 nan 8.290 nan 0.000 0.420 445 K N 2.019 122.411 120.400 -0.014 0.000 3.169 445 K HA 1.038 5.358 4.320 -0.001 0.000 0.251 445 K C 0.263 176.829 176.600 -0.056 0.000 0.992 445 K CA 0.552 56.815 56.287 -0.039 0.000 1.643 445 K CB -0.214 32.260 32.500 -0.044 0.000 2.979 445 K HN 2.261 nan 8.250 nan 0.000 0.905 446 L N -3.259 117.920 121.223 -0.074 0.000 1.622 446 L HA 0.306 4.645 4.340 -0.001 0.000 0.547 446 L C 0.196 176.861 176.870 -0.342 0.000 0.999 446 L CA 0.121 54.897 54.840 -0.106 0.000 1.170 446 L CB -2.068 39.961 42.059 -0.051 0.000 2.042 446 L HN 2.239 nan 8.230 nan 0.000 1.095 447 A N 2.416 124.997 122.820 -0.398 0.000 3.832 447 A HA -0.082 4.238 4.320 -0.001 0.000 0.206 447 A C -0.045 177.383 177.584 -0.260 0.000 1.151 447 A CA 0.711 52.327 52.037 -0.701 0.000 1.639 447 A CB -1.748 16.302 19.000 -1.583 0.000 0.878 447 A HN 0.800 nan 8.150 nan 0.000 0.774 448 I N 1.588 122.091 120.570 -0.112 0.000 2.460 448 I HA 0.209 4.378 4.170 -0.001 0.000 0.277 448 I C 0.341 176.479 176.117 0.036 0.000 1.057 448 I CA -0.550 60.749 61.300 -0.001 0.000 1.179 448 I CB 1.014 39.042 38.000 0.048 0.000 1.329 448 I HN 0.334 nan 8.210 nan 0.000 0.478 449 N N 4.676 123.397 118.700 0.035 0.000 3.027 449 N HA 0.110 4.850 4.740 -0.001 0.000 0.309 449 N C 1.438 176.977 175.510 0.049 0.000 1.222 449 N CA 0.169 53.251 53.050 0.054 0.000 1.187 449 N CB 0.598 39.114 38.487 0.049 0.000 1.458 449 N HN 0.679 nan 8.380 nan 0.000 0.535 450 A N 2.139 124.986 122.820 0.045 0.000 2.148 450 A HA -0.245 4.074 4.320 -0.001 0.000 0.222 450 A C 2.147 179.706 177.584 -0.043 0.000 1.161 450 A CA 1.334 53.325 52.037 -0.077 0.000 0.662 450 A CB -0.513 18.316 19.000 -0.285 0.000 0.799 450 A HN 0.684 nan 8.150 nan 0.000 0.466 451 K N -0.654 119.777 120.400 0.052 0.000 2.147 451 K HA -0.138 4.182 4.320 -0.001 0.000 0.205 451 K C 1.885 178.504 176.600 0.031 0.000 1.049 451 K CA 1.659 57.982 56.287 0.061 0.000 0.936 451 K CB -0.388 32.159 32.500 0.078 0.000 0.722 451 K HN 0.469 nan 8.250 nan 0.000 0.446 452 T N 2.082 116.653 114.554 0.028 0.000 2.592 452 T HA -0.241 4.108 4.350 -0.001 0.000 0.267 452 T C 1.848 176.558 174.700 0.016 0.000 1.060 452 T CA 2.135 64.250 62.100 0.025 0.000 1.167 452 T CB -0.264 68.624 68.868 0.034 0.000 0.863 452 T HN 0.225 nan 8.240 nan 0.000 0.431 453 I N 0.775 121.353 120.570 0.013 0.000 2.133 453 I HA -0.172 3.997 4.170 -0.001 0.000 0.238 453 I C 2.809 178.907 176.117 -0.032 0.000 1.074 453 I CA 1.320 62.622 61.300 0.002 0.000 1.342 453 I CB -1.046 36.956 38.000 0.002 0.000 1.053 453 I HN 0.275 nan 8.210 nan 0.000 0.404 454 T N 0.911 115.440 114.554 -0.040 0.000 2.620 454 T HA -0.265 4.084 4.350 -0.001 0.000 0.267 454 T C 2.046 176.752 174.700 0.010 0.000 1.044 454 T CA 2.330 64.421 62.100 -0.015 0.000 1.161 454 T CB -0.517 68.368 68.868 0.029 0.000 0.862 454 T HN 0.593 nan 8.240 nan 0.000 0.438 455 S N 1.294 117.010 115.700 0.027 0.000 2.336 455 S HA 0.024 4.494 4.470 -0.001 0.000 0.214 455 S C 2.433 177.064 174.600 0.053 0.000 1.032 455 S CA 1.266 59.496 58.200 0.050 0.000 1.001 455 S CB -1.467 61.769 63.200 0.060 0.000 0.953 455 S HN 0.537 nan 8.310 nan 0.000 0.430 456 G N 2.758 111.569 108.800 0.019 0.000 2.759 456 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.224 456 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.224 456 G C 1.473 176.362 174.900 -0.019 0.000 1.173 456 G CA 1.583 46.673 45.100 -0.017 0.000 0.770 456 G HN 0.507 nan 8.290 nan 0.000 0.626 457 L N -0.019 121.168 121.223 -0.061 0.000 2.013 457 L HA -0.168 4.171 4.340 -0.001 0.000 0.212 457 L C 3.075 179.919 176.870 -0.044 0.000 1.073 457 L CA 1.958 56.732 54.840 -0.109 0.000 0.753 457 L CB -0.436 41.556 42.059 -0.113 0.000 0.890 457 L HN 0.278 nan 8.230 nan 0.000 0.432 458 K N -0.737 119.671 120.400 0.014 0.000 1.969 458 K HA -0.282 4.037 4.320 -0.001 0.000 0.216 458 K C 2.064 178.709 176.600 0.075 0.000 1.048 458 K CA 2.139 58.450 56.287 0.039 0.000 0.948 458 K CB -0.725 31.805 32.500 0.050 0.000 0.726 458 K HN 0.129 nan 8.250 nan 0.000 0.442 459 Y N 1.251 121.544 120.300 -0.011 0.000 2.170 459 Y HA -0.430 4.120 4.550 -0.001 0.000 0.274 459 Y C 2.042 177.961 175.900 0.031 0.000 1.253 459 Y CA 1.911 60.015 58.100 0.007 0.000 1.133 459 Y CB -0.239 38.220 38.460 -0.002 0.000 0.941 459 Y HN 0.223 nan 8.280 nan 0.000 0.518 460 A N -0.258 122.743 122.820 0.302 0.000 1.823 460 A HA -0.112 4.207 4.320 -0.001 0.000 0.214 460 A C 1.838 179.613 177.584 0.319 0.000 1.225 460 A CA 1.516 53.740 52.037 0.312 0.000 0.604 460 A CB -1.197 17.751 19.000 -0.085 0.000 0.878 460 A HN 0.378 nan 8.150 nan 0.000 0.450 461 L N -0.005 121.334 121.223 0.195 0.000 2.556 461 L HA -0.140 4.199 4.340 -0.001 0.000 0.230 461 L C 2.564 179.459 176.870 0.041 0.000 1.163 461 L CA 1.454 56.358 54.840 0.105 0.000 0.819 461 L CB -0.686 41.321 42.059 -0.086 0.000 0.939 461 L HN 0.466 nan 8.230 nan 0.000 0.452 462 A N -2.045 120.792 122.820 0.029 0.000 1.997 462 A HA 0.023 4.342 4.320 -0.001 0.000 0.212 462 A C 2.136 179.687 177.584 -0.055 0.000 1.178 462 A CA 1.430 53.450 52.037 -0.028 0.000 0.698 462 A CB -0.216 18.743 19.000 -0.068 0.000 0.842 462 A HN 0.404 nan 8.150 nan 0.000 0.458 463 T N -3.101 111.421 114.554 -0.053 0.000 3.151 463 T HA 0.463 4.812 4.350 -0.001 0.000 0.239 463 T C 1.492 176.194 174.700 0.004 0.000 0.979 463 T CA 1.020 63.085 62.100 -0.058 0.000 1.194 463 T CB 0.281 69.083 68.868 -0.110 0.000 0.982 463 T HN 1.264 nan 8.240 nan 0.000 0.428 464 G N 1.699 110.550 108.800 0.086 0.000 2.421 464 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.188 464 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.188 464 G C -0.122 174.866 174.900 0.148 0.000 1.001 464 G CA -0.585 44.539 45.100 0.040 0.000 0.693 464 G HN 0.501 nan 8.290 nan 0.000 0.479 465 N N 1.140 119.978 118.700 0.230 0.000 2.410 465 N HA 0.091 4.831 4.740 -0.001 0.000 0.281 465 N C 0.976 176.768 175.510 0.470 0.000 1.241 465 N CA -0.262 52.967 53.050 0.298 0.000 0.998 465 N CB 0.390 39.069 38.487 0.319 0.000 1.376 465 N HN 0.555 nan 8.380 nan 0.000 0.490 466 W N 1.929 123.264 121.300 0.058 0.000 2.352 466 W HA -0.108 4.551 4.660 -0.001 0.000 0.322 466 W C 1.287 177.819 176.519 0.022 0.000 1.208 466 W CA 0.559 57.925 57.345 0.035 0.000 1.286 466 W CB 0.212 29.678 29.460 0.010 0.000 1.167 466 W HN 0.544 nan 8.180 nan 0.000 0.469 467 G N -1.829 107.135 108.800 0.273 0.000 5.362 467 G HA2 0.221 4.181 3.960 -0.001 0.000 0.208 467 G HA3 0.221 4.181 3.960 -0.001 0.000 0.208 467 G C -0.324 174.633 174.900 0.094 0.000 1.166 467 G CA 0.291 45.450 45.100 0.099 0.000 0.659 467 G HN 0.178 nan 8.290 nan 0.000 0.249 468 E N -1.641 118.627 120.200 0.114 0.000 2.465 468 E HA 0.528 4.877 4.350 -0.001 0.000 0.209 468 E C 1.371 178.006 176.600 0.057 0.000 0.951 468 E CA 1.350 57.798 56.400 0.080 0.000 0.997 468 E CB 0.095 29.846 29.700 0.085 0.000 1.025 468 E HN 1.059 nan 8.360 nan 0.000 0.500 469 Q N -0.377 119.462 119.800 0.065 0.000 2.155 469 Q HA 0.592 4.932 4.340 -0.001 0.000 0.273 469 Q C 1.731 177.758 176.000 0.045 0.000 0.857 469 Q CA 0.772 56.608 55.803 0.055 0.000 1.116 469 Q CB -0.604 nan 28.738 nan 0.000 1.209 469 Q HN 0.609 nan 8.270 nan 0.000 0.460 470 K N 0.299 120.707 120.400 0.013 0.000 2.044 470 K HA 0.091 4.410 4.320 -0.001 0.000 0.204 470 K C 2.553 179.145 176.600 -0.012 0.000 1.049 470 K CA 1.771 58.039 56.287 -0.031 0.000 0.945 470 K CB -1.133 31.316 32.500 -0.086 0.000 0.724 470 K HN 0.790 nan 8.250 nan 0.000 0.440 471 K N -0.084 120.313 120.400 -0.004 0.000 2.152 471 K HA 0.474 4.794 4.320 -0.001 0.000 0.206 471 K C 1.493 178.100 176.600 0.010 0.000 1.048 471 K CA 1.644 57.932 56.287 0.001 0.000 0.933 471 K CB -1.489 31.013 32.500 0.003 0.000 0.721 471 K HN 1.986 nan 8.250 nan 0.000 0.447 472 A N -3.042 119.788 122.820 0.017 0.000 5.228 472 A HA 0.318 4.637 4.320 -0.001 0.000 0.518 472 A C 0.845 178.441 177.584 0.021 0.000 1.331 472 A CA 1.113 53.166 52.037 0.026 0.000 0.942 472 A CB -2.165 16.856 19.000 0.035 0.000 2.757 472 A HN 2.151 nan 8.150 nan 0.000 0.505 473 M N -0.218 119.395 119.600 0.022 0.000 2.226 473 M HA 0.721 5.200 4.480 -0.001 0.000 0.324 473 M C 0.914 177.232 176.300 0.030 0.000 1.112 473 M CA 0.942 56.258 55.300 0.027 0.000 1.176 473 M CB -0.520 32.094 32.600 0.022 0.000 1.430 473 M HN 2.730 nan 8.290 nan 0.000 0.462 474 S N 1.103 116.826 115.700 0.038 0.000 2.399 474 S HA 0.696 5.165 4.470 -0.001 0.000 0.215 474 S C 1.132 175.754 174.600 0.037 0.000 1.456 474 S CA 0.564 58.790 58.200 0.043 0.000 1.199 474 S CB -0.575 62.663 63.200 0.064 0.000 1.063 474 S HN 2.690 nan 8.310 nan 0.000 0.476 475 S N 1.346 117.062 115.700 0.025 0.000 4.034 475 S HA -0.198 4.271 4.470 -0.001 0.000 0.538 475 S C 1.684 176.292 174.600 0.015 0.000 0.927 475 S CA 3.044 61.255 58.200 0.018 0.000 3.399 475 S CB -1.057 62.151 63.200 0.013 0.000 2.347 475 S HN 2.173 nan 8.310 nan 0.000 0.474 476 R N 0.406 120.914 120.500 0.013 0.000 3.585 476 R HA 0.827 5.166 4.340 -0.001 0.000 0.324 476 R C 1.130 177.429 176.300 -0.002 0.000 1.372 476 R CA 1.199 57.300 56.100 0.001 0.000 1.291 476 R CB -1.011 29.283 30.300 -0.011 0.000 1.470 476 R HN 1.562 nan 8.270 nan 0.000 0.633 477 A N -0.304 122.524 122.820 0.013 0.000 3.272 477 A HA 0.679 4.998 4.320 -0.001 0.000 0.201 477 A C 1.742 179.286 177.584 -0.067 0.000 2.039 477 A CA 0.981 53.001 52.037 -0.029 0.000 0.955 477 A CB -0.224 18.768 19.000 -0.012 0.000 1.292 477 A HN 1.783 nan 8.150 nan 0.000 0.453 478 G N -2.341 106.409 108.800 -0.083 0.000 2.159 478 G HA2 -0.029 3.931 3.960 -0.001 0.000 0.170 478 G HA3 -0.029 3.931 3.960 -0.001 0.000 0.170 478 G C 0.008 174.819 174.900 -0.147 0.000 1.007 478 G CA -0.038 45.008 45.100 -0.091 0.000 0.672 478 G HN 1.063 nan 8.290 nan 0.000 0.507 479 V N 0.599 120.363 119.914 -0.250 0.000 2.785 479 V HA 0.739 4.859 4.120 -0.001 0.000 0.300 479 V C 1.284 177.200 176.094 -0.296 0.000 1.062 479 V CA 0.478 62.552 62.300 -0.376 0.000 1.029 479 V CB 1.415 32.766 31.823 -0.786 0.000 1.024 479 V HN 1.940 nan 8.190 nan 0.000 0.477 480 S N 2.194 117.744 115.700 -0.249 0.000 3.516 480 S HA -0.146 4.323 4.470 -0.001 0.000 0.562 480 S C -0.291 174.256 174.600 -0.088 0.000 0.655 480 S CA 0.778 58.883 58.200 -0.159 0.000 1.400 480 S CB -0.633 62.485 63.200 -0.137 0.000 0.946 480 S HN 0.880 nan 8.310 nan 0.000 0.871 481 Q N 2.141 121.907 119.800 -0.057 0.000 2.633 481 Q HA 0.756 5.095 4.340 -0.001 0.000 0.208 481 Q C -0.256 175.740 176.000 -0.007 0.000 1.010 481 Q CA -1.008 54.790 55.803 -0.007 0.000 0.982 481 Q CB 0.804 29.582 28.738 0.067 0.000 1.334 481 Q HN 0.489 nan 8.270 nan 0.000 0.508 482 V N 2.019 121.943 119.914 0.015 0.000 2.333 482 V HA 0.130 4.249 4.120 -0.001 0.000 0.274 482 V C -0.363 175.717 176.094 -0.025 0.000 1.028 482 V CA -0.700 61.584 62.300 -0.026 0.000 0.851 482 V CB 0.687 32.484 31.823 -0.044 0.000 1.000 482 V HN 0.508 nan 8.190 nan 0.000 0.456 483 L N 5.322 126.474 121.223 -0.119 0.000 2.822 483 L HA -0.064 4.276 4.340 -0.001 0.000 0.288 483 L C 0.556 177.307 176.870 -0.200 0.000 1.182 483 L CA 0.756 55.481 54.840 -0.190 0.000 0.936 483 L CB -0.512 41.300 42.059 -0.411 0.000 1.269 483 L HN 0.668 nan 8.230 nan 0.000 0.476 484 N N 4.123 122.764 118.700 -0.098 0.000 2.412 484 N HA 0.036 4.775 4.740 -0.001 0.000 0.279 484 N C 0.059 175.205 175.510 -0.606 0.000 1.287 484 N CA 0.313 52.979 53.050 -0.639 0.000 0.948 484 N CB 0.067 38.140 38.487 -0.690 0.000 1.255 484 N HN 0.376 nan 8.380 nan 0.000 0.485 485 R N 2.185 122.301 120.500 -0.640 0.000 3.534 485 R HA 0.223 4.563 4.340 -0.001 0.000 0.312 485 R C 0.250 176.297 176.300 -0.422 0.000 1.419 485 R CA -0.094 55.701 56.100 -0.509 0.000 1.262 485 R CB -0.374 29.540 30.300 -0.643 0.000 1.437 485 R HN 0.678 nan 8.270 nan 0.000 0.627 486 Y N -2.150 118.028 120.300 -0.202 0.000 2.177 486 Y HA 0.150 4.699 4.550 -0.001 0.000 0.291 486 Y C 0.833 176.737 175.900 0.007 0.000 1.117 486 Y CA 0.088 58.105 58.100 -0.138 0.000 1.114 486 Y CB 0.598 38.985 38.460 -0.123 0.000 1.017 486 Y HN -0.079 nan 8.280 nan 0.000 0.505 487 T N -1.570 113.111 114.554 0.213 0.000 2.903 487 T HA 0.134 4.484 4.350 -0.001 0.000 0.299 487 T C -0.291 174.523 174.700 0.190 0.000 1.093 487 T CA -0.694 61.536 62.100 0.217 0.000 1.002 487 T CB 1.702 70.681 68.868 0.185 0.000 1.127 487 T HN 0.055 nan 8.240 nan 0.000 0.488 488 Y N 2.711 123.073 120.300 0.104 0.000 2.014 488 Y HA -0.248 4.301 4.550 -0.001 0.000 0.270 488 Y C 2.844 178.784 175.900 0.067 0.000 1.145 488 Y CA 2.887 61.024 58.100 0.062 0.000 1.106 488 Y CB -0.780 37.675 38.460 -0.009 0.000 0.968 488 Y HN 0.756 nan 8.280 nan 0.000 0.484 489 S N -0.972 114.818 115.700 0.151 0.000 2.381 489 S HA -0.346 4.124 4.470 -0.001 0.000 0.230 489 S C 2.333 176.911 174.600 -0.037 0.000 1.052 489 S CA 1.992 60.230 58.200 0.064 0.000 1.068 489 S CB -1.555 61.757 63.200 0.186 0.000 0.918 489 S HN 0.593 nan 8.310 nan 0.000 0.448 490 S N 1.551 117.259 115.700 0.014 0.000 2.365 490 S HA -0.190 4.279 4.470 -0.001 0.000 0.225 490 S C 1.988 176.535 174.600 -0.087 0.000 1.039 490 S CA 2.211 60.403 58.200 -0.014 0.000 1.033 490 S CB -1.505 61.722 63.200 0.047 0.000 0.887 490 S HN 0.735 nan 8.310 nan 0.000 0.447 491 T N 3.111 117.580 114.554 -0.143 0.000 2.720 491 T HA -0.037 4.313 4.350 -0.001 0.000 0.268 491 T C 1.756 176.345 174.700 -0.185 0.000 1.037 491 T CA 1.632 63.619 62.100 -0.188 0.000 1.144 491 T CB -0.501 68.225 68.868 -0.236 0.000 0.864 491 T HN 0.345 nan 8.240 nan 0.000 0.444 492 L N 0.710 121.780 121.223 -0.255 0.000 1.955 492 L HA -0.159 4.181 4.340 -0.001 0.000 0.213 492 L C 2.880 179.688 176.870 -0.103 0.000 1.072 492 L CA 1.469 56.190 54.840 -0.200 0.000 0.755 492 L CB -1.068 40.858 42.059 -0.221 0.000 0.888 492 L HN 0.271 nan 8.230 nan 0.000 0.432 493 S N -1.030 114.622 115.700 -0.081 0.000 2.408 493 S HA -0.387 4.082 4.470 -0.001 0.000 0.241 493 S C 2.026 176.633 174.600 0.012 0.000 1.080 493 S CA 2.183 60.359 58.200 -0.040 0.000 1.109 493 S CB -0.604 62.573 63.200 -0.039 0.000 0.966 493 S HN 0.558 nan 8.310 nan 0.000 0.449 494 H N -0.342 118.655 119.070 -0.122 0.000 2.456 494 H HA 0.028 4.584 4.556 -0.001 0.000 0.296 494 H C 2.024 177.291 175.328 -0.101 0.000 1.079 494 H CA 1.293 57.268 56.048 -0.122 0.000 1.322 494 H CB -0.050 29.609 29.762 -0.171 0.000 1.388 494 H HN 0.382 nan 8.280 nan 0.000 0.538 495 L N 0.207 121.392 121.223 -0.063 0.000 2.217 495 L HA -0.070 4.270 4.340 -0.001 0.000 0.211 495 L C 1.694 178.529 176.870 -0.058 0.000 1.107 495 L CA 0.855 55.631 54.840 -0.106 0.000 0.783 495 L CB 0.031 42.040 42.059 -0.084 0.000 0.919 495 L HN 0.222 nan 8.230 nan 0.000 0.442 496 R N -0.288 120.191 120.500 -0.035 0.000 2.480 496 R HA 0.153 4.493 4.340 -0.001 0.000 0.277 496 R C 0.456 176.749 176.300 -0.012 0.000 1.008 496 R CA -0.229 55.855 56.100 -0.025 0.000 1.090 496 R CB 0.013 30.296 30.300 -0.028 0.000 1.234 496 R HN 0.179 nan 8.270 nan 0.000 0.549 497 R N 0.638 121.139 120.500 0.001 0.000 2.560 497 R HA 0.194 4.534 4.340 -0.001 0.000 0.270 497 R C -0.550 175.750 176.300 -0.001 0.000 1.074 497 R CA 0.320 56.428 56.100 0.012 0.000 1.140 497 R CB 1.085 31.424 30.300 0.064 0.000 1.073 497 R HN -0.149 nan 8.270 nan 0.000 0.527 498 T N 1.783 116.336 114.554 -0.002 0.000 2.893 498 T HA 0.342 4.691 4.350 -0.001 0.000 0.291 498 T C -1.229 173.465 174.700 -0.010 0.000 1.028 498 T CA -0.650 61.450 62.100 -0.000 0.000 0.995 498 T CB 1.429 70.313 68.868 0.028 0.000 1.051 498 T HN 0.599 nan 8.240 nan 0.000 0.470 499 N N 0.182 118.871 118.700 -0.018 0.000 2.328 499 N HA 0.726 5.466 4.740 -0.001 0.000 0.299 499 N C -1.623 173.878 175.510 -0.016 0.000 1.179 499 N CA -0.457 52.577 53.050 -0.027 0.000 0.793 499 N CB 1.807 40.263 38.487 -0.053 0.000 1.366 499 N HN 0.483 nan 8.380 nan 0.000 0.493 500 T N 2.213 116.758 114.554 -0.015 0.000 3.348 500 T HA 0.315 4.664 4.350 -0.001 0.000 0.328 500 T C -2.718 171.976 174.700 -0.010 0.000 0.913 500 T CA -0.727 61.371 62.100 -0.003 0.000 1.043 500 T CB 1.316 70.197 68.868 0.021 0.000 1.021 500 T HN 0.460 nan 8.240 nan 0.000 0.461 501 P HA 0.164 nan 4.420 nan 0.000 0.271 501 P C 0.716 178.010 177.300 -0.011 0.000 1.228 501 P CA -0.151 62.939 63.100 -0.018 0.000 0.797 501 P CB 0.647 32.336 31.700 -0.018 0.000 0.914 510 K N 0.883 121.277 120.400 -0.009 0.000 3.202 510 K HA 0.221 4.540 4.320 -0.001 0.000 0.206 510 K C -1.880 174.747 176.600 0.045 0.000 1.142 510 K CA -1.316 54.980 56.287 0.014 0.000 0.979 510 K CB 1.438 33.951 32.500 0.022 0.000 0.863 510 K HN 0.332 nan 8.250 nan 0.000 0.479 511 P HA -0.273 nan 4.420 nan 0.000 0.211 511 P C 0.932 178.279 177.300 0.078 0.000 1.181 511 P CA 1.397 64.542 63.100 0.075 0.000 0.929 511 P CB 0.132 31.863 31.700 0.052 0.000 0.789 512 R N -0.508 120.016 120.500 0.040 0.000 2.234 512 R HA -0.207 4.133 4.340 -0.001 0.000 0.262 512 R C 1.759 178.076 176.300 0.028 0.000 1.150 512 R CA 1.300 57.413 56.100 0.021 0.000 0.981 512 R CB -1.066 29.240 30.300 0.009 0.000 0.899 512 R HN 0.372 nan 8.270 nan 0.000 0.458 513 Q N 0.199 120.031 119.800 0.053 0.000 2.861 513 Q HA 0.029 4.368 4.340 -0.001 0.000 0.240 513 Q C -0.661 175.395 176.000 0.094 0.000 1.162 513 Q CA 0.439 56.281 55.803 0.065 0.000 1.078 513 Q CB 0.256 29.042 28.738 0.080 0.000 1.349 513 Q HN 0.088 nan 8.270 nan 0.000 0.595 514 L N 1.446 122.723 121.223 0.091 0.000 2.276 514 L HA 0.316 4.656 4.340 -0.001 0.000 0.286 514 L C -1.108 175.882 176.870 0.199 0.000 1.024 514 L CA -0.172 54.741 54.840 0.122 0.000 0.826 514 L CB 0.578 42.661 42.059 0.040 0.000 1.211 514 L HN 0.653 nan 8.230 nan 0.000 0.422 515 H N 2.620 121.887 119.070 0.327 0.000 2.546 515 H HA 0.334 4.889 4.556 -0.001 0.000 0.365 515 H C 0.939 176.278 175.328 0.018 0.000 1.220 515 H CA 0.680 56.759 56.048 0.052 0.000 1.386 515 H CB 1.043 30.650 29.762 -0.258 0.000 1.510 515 H HN 0.761 nan 8.280 nan 0.000 0.591 516 N N -0.280 118.177 118.700 -0.405 0.000 2.135 516 N HA -0.169 4.570 4.740 -0.001 0.000 0.186 516 N C 1.554 177.120 175.510 0.094 0.000 1.027 516 N CA 1.410 54.382 53.050 -0.130 0.000 0.849 516 N CB -0.062 38.267 38.487 -0.264 0.000 1.002 516 N HN 0.730 nan 8.380 nan 0.000 0.425 517 T N -0.622 114.067 114.554 0.225 0.000 2.822 517 T HA -0.187 4.162 4.350 -0.001 0.000 0.270 517 T C 1.471 176.243 174.700 0.119 0.000 1.064 517 T CA 1.139 63.329 62.100 0.149 0.000 1.131 517 T CB -0.519 68.387 68.868 0.064 0.000 0.858 517 T HN 0.267 nan 8.240 nan 0.000 0.483 518 H N -0.580 118.493 119.070 0.005 0.000 2.545 518 H HA 0.073 4.628 4.556 -0.001 0.000 0.282 518 H C 0.896 176.158 175.328 -0.110 0.000 1.020 518 H CA 0.209 56.059 56.048 -0.330 0.000 1.243 518 H CB -0.500 29.081 29.762 -0.303 0.000 1.377 518 H HN 0.588 nan 8.280 nan 0.000 0.581 519 W N 1.815 123.124 121.300 0.014 0.000 2.223 519 W HA 0.191 4.850 4.660 -0.001 0.000 0.334 519 W C 1.068 177.603 176.519 0.027 0.000 1.334 519 W CA 1.364 58.715 57.345 0.011 0.000 1.246 519 W CB 0.220 29.681 29.460 0.003 0.000 1.184 519 W HN 0.473 nan 8.180 nan 0.000 0.563 520 G N 3.923 112.313 108.800 -0.684 0.000 2.353 520 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.258 520 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.258 520 G C 0.887 175.721 174.900 -0.110 0.000 1.013 520 G CA 0.887 45.737 45.100 -0.416 0.000 0.622 520 G HN 0.573 nan 8.290 nan 0.000 0.535 521 L N -0.576 120.645 121.223 -0.003 0.000 2.269 521 L HA 0.332 4.671 4.340 -0.001 0.000 0.200 521 L C 1.185 178.068 176.870 0.022 0.000 1.069 521 L CA 0.649 55.547 54.840 0.097 0.000 0.804 521 L CB -0.096 42.182 42.059 0.366 0.000 0.987 521 L HN 0.161 nan 8.230 nan 0.000 0.468 522 V N -0.692 119.160 119.914 -0.103 0.000 2.769 522 V HA 0.201 4.320 4.120 -0.001 0.000 0.312 522 V C -0.215 175.772 176.094 -0.178 0.000 1.058 522 V CA -1.148 61.059 62.300 -0.156 0.000 0.952 522 V CB 2.629 34.258 31.823 -0.322 0.000 1.019 522 V HN 0.258 nan 8.190 nan 0.000 0.445 523 C N 6.317 125.529 119.300 -0.147 0.000 2.644 523 C HA 0.341 4.800 4.460 -0.001 0.000 0.417 523 C C -0.278 174.624 174.990 -0.146 0.000 1.304 523 C CA -0.751 58.184 59.018 -0.137 0.000 2.035 523 C CB 0.638 28.318 27.740 -0.100 0.000 2.673 523 C HN 0.866 nan 8.230 nan 0.000 0.602 524 P HA 0.057 nan 4.420 nan 0.000 0.217 524 P C 0.946 178.204 177.300 -0.069 0.000 1.153 524 P CA 1.862 64.906 63.100 -0.092 0.000 0.843 524 P CB 0.096 31.759 31.700 -0.062 0.000 0.794 525 A N 0.036 122.820 122.820 -0.060 0.000 2.095 525 A HA 0.009 4.328 4.320 -0.001 0.000 0.212 525 A C 1.383 178.945 177.584 -0.038 0.000 1.162 525 A CA 0.098 52.109 52.037 -0.042 0.000 0.753 525 A CB -0.766 18.211 19.000 -0.038 0.000 0.840 525 A HN 0.224 nan 8.150 nan 0.000 0.468 526 E N 0.990 121.158 120.200 -0.052 0.000 1.941 526 E HA 0.372 4.721 4.350 -0.001 0.000 0.275 526 E C -0.758 175.812 176.600 -0.049 0.000 1.113 526 E CA 0.020 56.393 56.400 -0.045 0.000 0.878 526 E CB 0.111 29.779 29.700 -0.052 0.000 1.070 526 E HN 0.182 nan 8.360 nan 0.000 0.399 527 T N 4.180 118.714 114.554 -0.033 0.000 2.957 527 T HA 0.334 4.683 4.350 -0.001 0.000 0.336 527 T C -2.846 171.840 174.700 -0.023 0.000 1.462 527 T CA -1.441 60.637 62.100 -0.037 0.000 1.073 527 T CB 1.481 70.322 68.868 -0.045 0.000 1.319 527 T HN 0.298 nan 8.240 nan 0.000 0.485 528 P HA 0.238 nan 4.420 nan 0.000 0.268 528 P C -0.445 176.836 177.300 -0.031 0.000 1.204 528 P CA -0.119 62.958 63.100 -0.038 0.000 0.768 528 P CB 0.543 32.215 31.700 -0.046 0.000 0.842 529 E N 1.264 121.437 120.200 -0.045 0.000 2.390 529 E HA 0.316 4.665 4.350 -0.001 0.000 0.261 529 E C 1.141 177.713 176.600 -0.047 0.000 1.076 529 E CA -0.127 56.246 56.400 -0.045 0.000 0.905 529 E CB 0.117 29.747 29.700 -0.115 0.000 0.984 529 E HN 0.722 nan 8.360 nan 0.000 0.427 530 G N 1.880 110.662 108.800 -0.031 0.000 2.586 530 G HA2 -0.436 3.523 3.960 -0.001 0.000 0.308 530 G HA3 -0.436 3.523 3.960 -0.001 0.000 0.308 530 G C 0.464 175.345 174.900 -0.032 0.000 1.317 530 G CA 0.814 45.896 45.100 -0.031 0.000 0.922 530 G HN 0.944 nan 8.290 nan 0.000 0.551 531 Q N -2.925 116.856 119.800 -0.033 0.000 2.341 531 Q HA -0.317 4.023 4.340 -0.001 0.000 0.431 531 Q C 1.604 177.587 176.000 -0.027 0.000 0.591 531 Q CA 2.553 58.337 55.803 -0.032 0.000 0.966 531 Q CB -1.776 26.940 28.738 -0.037 0.000 2.454 531 Q HN 2.461 nan 8.270 nan 0.000 0.956 532 A N 0.765 123.567 122.820 -0.030 0.000 3.197 532 A HA 0.417 4.736 4.320 -0.001 0.000 0.263 532 A C 0.099 177.667 177.584 -0.027 0.000 1.524 532 A CA 0.106 52.127 52.037 -0.027 0.000 1.176 532 A CB -0.384 18.598 19.000 -0.030 0.000 1.096 532 A HN 0.532 nan 8.150 nan 0.000 0.655 533 C N 0.595 119.881 119.300 -0.024 0.000 2.482 533 C HA 0.547 5.007 4.460 -0.001 0.000 0.378 533 C C 1.611 176.588 174.990 -0.022 0.000 1.284 533 C CA 1.071 60.075 59.018 -0.023 0.000 1.826 533 C CB -1.304 26.427 27.740 -0.015 0.000 2.473 533 C HN 1.738 nan 8.230 nan 0.000 0.562 534 G N 4.730 113.511 108.800 -0.032 0.000 2.175 534 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.244 534 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.244 534 G C 0.428 175.309 174.900 -0.032 0.000 0.982 534 G CA 0.515 45.591 45.100 -0.040 0.000 0.641 534 G HN 0.739 nan 8.290 nan 0.000 0.527 535 L N -0.328 120.880 121.223 -0.025 0.000 2.408 535 L HA 0.344 4.683 4.340 -0.001 0.000 0.215 535 L C 0.813 177.671 176.870 -0.020 0.000 1.081 535 L CA 0.390 55.221 54.840 -0.014 0.000 0.840 535 L CB 0.606 42.656 42.059 -0.014 0.000 1.002 535 L HN 0.123 nan 8.230 nan 0.000 0.468 536 V N 1.089 120.984 119.914 -0.032 0.000 2.384 536 V HA 0.310 4.430 4.120 -0.001 0.000 0.287 536 V C -0.310 175.756 176.094 -0.047 0.000 1.020 536 V CA -0.591 61.689 62.300 -0.033 0.000 0.850 536 V CB 1.550 33.351 31.823 -0.035 0.000 0.987 536 V HN 0.140 nan 8.190 nan 0.000 0.436 537 K N 3.387 123.760 120.400 -0.046 0.000 2.400 537 K HA 0.568 4.887 4.320 -0.001 0.000 0.246 537 K C -0.950 175.620 176.600 -0.050 0.000 0.995 537 K CA -1.037 55.207 56.287 -0.073 0.000 0.840 537 K CB 2.027 34.455 32.500 -0.121 0.000 1.293 537 K HN 0.456 nan 8.250 nan 0.000 0.445 538 N N 1.696 120.357 118.700 -0.064 0.000 2.372 538 N HA 0.313 5.052 4.740 -0.001 0.000 0.285 538 N C -0.711 174.770 175.510 -0.047 0.000 1.008 538 N CA -0.467 52.556 53.050 -0.046 0.000 0.880 538 N CB 1.255 39.714 38.487 -0.047 0.000 1.239 538 N HN 0.374 nan 8.380 nan 0.000 0.484 539 L N 1.510 122.719 121.223 -0.022 0.000 2.483 539 L HA 0.066 4.405 4.340 -0.001 0.000 0.276 539 L C 1.368 178.223 176.870 -0.025 0.000 1.213 539 L CA 0.180 55.013 54.840 -0.010 0.000 0.843 539 L CB 0.259 42.317 42.059 -0.001 0.000 1.107 539 L HN 0.424 nan 8.230 nan 0.000 0.487 540 S N 1.891 117.574 115.700 -0.028 0.000 2.632 540 S HA 0.154 4.623 4.470 -0.001 0.000 0.254 540 S C 1.255 175.866 174.600 0.018 0.000 1.291 540 S CA -0.579 57.602 58.200 -0.031 0.000 0.974 540 S CB 0.490 63.654 63.200 -0.060 0.000 1.016 540 S HN 0.454 nan 8.310 nan 0.000 0.579 541 L N 0.251 121.511 121.223 0.061 0.000 2.062 541 L HA -0.037 4.302 4.340 -0.001 0.000 0.202 541 L C 2.564 179.594 176.870 0.268 0.000 1.079 541 L CA 0.891 55.834 54.840 0.172 0.000 0.755 541 L CB -0.421 41.782 42.059 0.241 0.000 0.913 541 L HN 0.546 nan 8.230 nan 0.000 0.445 542 M N 0.238 119.976 119.600 0.230 0.000 2.213 542 M HA -0.064 4.416 4.480 -0.001 0.000 0.263 542 M C 1.349 177.745 176.300 0.161 0.000 1.062 542 M CA 0.658 56.117 55.300 0.266 0.000 1.105 542 M CB -1.304 31.266 32.600 -0.049 0.000 1.385 542 M HN 0.321 nan 8.290 nan 0.000 0.417 543 S N 0.410 116.132 115.700 0.036 0.000 2.561 543 S HA 0.130 4.599 4.470 -0.001 0.000 0.294 543 S C 0.164 174.672 174.600 -0.153 0.000 1.294 543 S CA -0.626 57.537 58.200 -0.062 0.000 1.055 543 S CB 0.233 63.416 63.200 -0.029 0.000 0.819 543 S HN 0.429 nan 8.310 nan 0.000 0.503 544 C N 2.031 121.078 119.300 -0.422 0.000 3.318 544 C HA 0.717 5.176 4.460 -0.001 0.000 0.329 544 C C -0.348 174.158 174.990 -0.807 0.000 1.449 544 C CA -0.981 57.689 59.018 -0.580 0.000 1.397 544 C CB 0.912 28.239 27.740 -0.688 0.000 1.810 544 C HN 0.936 nan 8.230 nan 0.000 0.449 545 I N 1.474 121.700 120.570 -0.573 0.000 2.608 545 I HA 0.352 4.521 4.170 -0.001 0.000 0.295 545 I C 0.188 176.327 176.117 0.037 0.000 1.049 545 I CA -0.012 61.110 61.300 -0.297 0.000 1.063 545 I CB 2.089 40.020 38.000 -0.116 0.000 1.248 545 I HN 0.787 nan 8.210 nan 0.000 0.424 546 S N 4.241 120.110 115.700 0.283 0.000 2.515 546 S HA 0.067 4.536 4.470 -0.001 0.000 0.285 546 S C 0.587 175.292 174.600 0.175 0.000 1.265 546 S CA -0.522 57.892 58.200 0.356 0.000 1.079 546 S CB 1.402 64.747 63.200 0.241 0.000 0.877 546 S HN 0.554 nan 8.310 nan 0.000 0.493 547 V N 3.718 123.730 119.914 0.164 0.000 3.052 547 V HA 0.388 4.508 4.120 -0.001 0.000 0.254 547 V C 1.121 177.268 176.094 0.087 0.000 1.100 547 V CA 1.423 63.785 62.300 0.104 0.000 1.112 547 V CB -0.896 30.976 31.823 0.081 0.000 0.738 547 V HN 1.672 nan 8.190 nan 0.000 0.469 548 G N 0.231 109.088 108.800 0.095 0.000 3.355 548 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.686 548 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.686 548 G C -0.370 174.581 174.900 0.085 0.000 1.097 548 G CA -0.202 44.950 45.100 0.086 0.000 0.881 548 G HN 0.486 nan 8.290 nan 0.000 0.550 549 T N 1.324 115.929 114.554 0.084 0.000 2.849 549 T HA 0.709 5.058 4.350 -0.001 0.000 0.272 549 T C -0.263 174.486 174.700 0.082 0.000 1.046 549 T CA -0.323 61.828 62.100 0.084 0.000 0.983 549 T CB 1.345 70.251 68.868 0.063 0.000 1.721 549 T HN 0.657 nan 8.240 nan 0.000 0.594 550 D N 0.763 121.202 120.400 0.066 0.000 2.350 550 D HA 0.334 4.973 4.640 -0.001 0.000 0.245 550 D C -1.528 174.790 176.300 0.030 0.000 1.036 550 D CA -2.227 51.804 54.000 0.051 0.000 0.848 550 D CB 2.266 43.092 40.800 0.044 0.000 1.307 550 D HN 0.081 nan 8.370 nan 0.000 0.469 551 P HA -0.054 nan 4.420 nan 0.000 0.214 551 P C 1.821 179.104 177.300 -0.028 0.000 1.167 551 P CA 0.783 63.887 63.100 0.007 0.000 0.882 551 P CB 0.583 32.300 31.700 0.028 0.000 0.777 552 M N 0.628 120.215 119.600 -0.023 0.000 2.113 552 M HA -0.127 4.352 4.480 -0.001 0.000 0.255 552 M C -0.478 175.817 176.300 -0.007 0.000 1.073 552 M CA 3.137 58.422 55.300 -0.026 0.000 1.091 552 M CB -2.362 30.230 32.600 -0.012 0.000 1.309 552 M HN 0.038 nan 8.290 nan 0.000 0.407 553 P HA -0.103 nan 4.420 nan 0.000 0.234 553 P C 0.800 178.113 177.300 0.021 0.000 1.162 553 P CA 1.420 64.535 63.100 0.026 0.000 0.759 553 P CB -0.259 31.452 31.700 0.018 0.000 0.813 554 I N -2.587 117.966 120.570 -0.028 0.000 4.471 554 I HA 0.106 4.275 4.170 -0.001 0.000 0.326 554 I C 2.251 178.332 176.117 -0.059 0.000 1.300 554 I CA -0.075 61.161 61.300 -0.106 0.000 1.237 554 I CB 0.266 38.169 38.000 -0.162 0.000 1.195 554 I HN -0.197 nan 8.210 nan 0.000 0.427 555 I N 0.863 121.396 120.570 -0.063 0.000 2.296 555 I HA -0.186 3.983 4.170 -0.001 0.000 0.242 555 I C 2.422 178.535 176.117 -0.007 0.000 1.087 555 I CA 1.400 62.632 61.300 -0.114 0.000 1.393 555 I CB 0.017 37.881 38.000 -0.227 0.000 1.093 555 I HN 0.123 nan 8.210 nan 0.000 0.421 556 T N 1.110 115.679 114.554 0.024 0.000 2.720 556 T HA -0.268 4.081 4.350 -0.001 0.000 0.268 556 T C 1.658 176.438 174.700 0.133 0.000 1.037 556 T CA 1.789 63.924 62.100 0.058 0.000 1.144 556 T CB -0.473 68.425 68.868 0.049 0.000 0.864 556 T HN 0.355 nan 8.240 nan 0.000 0.444 557 F N 1.089 121.025 119.950 -0.024 0.000 2.134 557 F HA -0.045 4.482 4.527 -0.001 0.000 0.299 557 F C 1.937 177.750 175.800 0.021 0.000 1.097 557 F CA 0.965 58.956 58.000 -0.014 0.000 1.264 557 F CB -0.195 38.745 39.000 -0.101 0.000 1.001 557 F HN 0.053 nan 8.300 nan 0.000 0.479 558 L N 0.453 121.957 121.223 0.468 0.000 1.955 558 L HA -0.279 4.060 4.340 -0.001 0.000 0.213 558 L C 2.772 179.765 176.870 0.205 0.000 1.072 558 L CA 1.783 56.811 54.840 0.314 0.000 0.755 558 L CB -1.111 41.009 42.059 0.102 0.000 0.888 558 L HN 0.301 nan 8.230 nan 0.000 0.432 559 S N -0.915 114.855 115.700 0.115 0.000 2.559 559 S HA -0.192 4.278 4.470 -0.001 0.000 0.250 559 S C 1.075 175.720 174.600 0.075 0.000 0.977 559 S CA 1.172 59.417 58.200 0.075 0.000 0.958 559 S CB -0.522 62.699 63.200 0.036 0.000 0.751 559 S HN 0.527 nan 8.310 nan 0.000 0.534 560 E N -1.340 118.934 120.200 0.123 0.000 2.651 560 E HA 0.196 4.546 4.350 -0.001 0.000 0.208 560 E C -0.682 175.955 176.600 0.062 0.000 0.997 560 E CA -0.230 56.209 56.400 0.065 0.000 1.020 560 E CB 0.313 30.041 29.700 0.047 0.000 1.052 560 E HN 0.720 nan 8.360 nan 0.000 0.465 561 W N -0.735 120.520 121.300 -0.076 0.000 1.526 561 W HA 0.272 4.931 4.660 -0.001 0.000 0.218 561 W C 1.083 177.597 176.519 -0.009 0.000 0.797 561 W CA 0.108 57.416 57.345 -0.062 0.000 0.997 561 W CB 1.456 30.884 29.460 -0.053 0.000 0.926 561 W HN 0.207 nan 8.180 nan 0.000 0.483 562 G N -0.270 108.635 108.800 0.174 0.000 4.205 562 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.200 562 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.200 562 G C 0.257 175.366 174.900 0.349 0.000 1.190 562 G CA -0.266 45.020 45.100 0.309 0.000 0.861 562 G HN -0.051 nan 8.290 nan 0.000 0.326 563 M N 2.877 122.575 119.600 0.163 0.000 2.603 563 M HA 0.165 4.644 4.480 -0.001 0.000 0.399 563 M C -0.287 176.065 176.300 0.086 0.000 1.745 563 M CA 0.772 56.152 55.300 0.134 0.000 1.055 563 M CB -0.039 32.597 32.600 0.060 0.000 2.144 563 M HN 0.292 nan 8.290 nan 0.000 0.483 564 E N 8.463 128.707 120.200 0.072 0.000 2.070 564 E HA 0.238 4.587 4.350 -0.001 0.000 0.282 564 E C -2.108 174.459 176.600 -0.056 0.000 1.104 564 E CA -1.850 54.557 56.400 0.012 0.000 0.876 564 E CB 0.131 29.842 29.700 0.018 0.000 1.055 564 E HN 0.508 nan 8.360 nan 0.000 0.401 565 P HA -0.179 nan 4.420 nan 0.000 0.263 565 P C 0.709 177.875 177.300 -0.224 0.000 1.162 565 P CA 0.094 63.125 63.100 -0.114 0.000 0.758 565 P CB 0.784 32.438 31.700 -0.076 0.000 0.773 566 L N 3.612 124.618 121.223 -0.362 0.000 2.189 566 L HA -0.223 4.116 4.340 -0.001 0.000 0.214 566 L C 2.277 178.858 176.870 -0.481 0.000 1.097 566 L CA 1.877 56.334 54.840 -0.639 0.000 0.764 566 L CB -0.878 40.691 42.059 -0.817 0.000 0.900 566 L HN 0.300 nan 8.230 nan 0.000 0.436 567 E N -0.063 119.966 120.200 -0.285 0.000 2.065 567 E HA -0.206 4.143 4.350 -0.001 0.000 0.201 567 E C 0.411 176.916 176.600 -0.160 0.000 1.016 567 E CA 1.531 57.811 56.400 -0.200 0.000 0.818 567 E CB -0.524 29.082 29.700 -0.157 0.000 0.749 567 E HN 0.607 nan 8.360 nan 0.000 0.453 568 D N 0.062 120.378 120.400 -0.140 0.000 2.557 568 D HA 0.123 4.763 4.640 -0.001 0.000 0.236 568 D C -0.842 175.414 176.300 -0.073 0.000 1.154 568 D CA -0.138 53.806 54.000 -0.094 0.000 0.985 568 D CB -0.183 40.571 40.800 -0.077 0.000 1.010 568 D HN 0.039 nan 8.370 nan 0.000 0.516 569 Y N 1.033 121.170 120.300 -0.273 0.000 2.429 569 Y HA 0.407 4.956 4.550 -0.001 0.000 0.342 569 Y C -0.685 175.117 175.900 -0.164 0.000 1.004 569 Y CA -1.164 56.759 58.100 -0.295 0.000 1.075 569 Y CB 1.604 39.730 38.460 -0.557 0.000 1.214 569 Y HN 0.002 nan 8.280 nan 0.000 0.455 570 V N 6.316 125.753 119.914 -0.795 0.000 2.443 570 V HA 0.384 4.503 4.120 -0.001 0.000 0.272 570 V C -2.132 173.422 176.094 -0.901 0.000 1.002 570 V CA -1.680 60.229 62.300 -0.652 0.000 0.840 570 V CB 0.899 32.451 31.823 -0.452 0.000 1.042 570 V HN 0.708 nan 8.190 nan 0.000 0.446 571 P HA -0.326 nan 4.420 nan 0.000 0.211 571 P C 1.436 178.603 177.300 -0.220 0.000 1.038 571 P CA 2.773 65.622 63.100 -0.419 0.000 0.988 571 P CB -0.274 31.432 31.700 0.010 0.000 0.758 572 H N -0.551 118.453 119.070 -0.110 0.000 2.543 572 H HA -0.053 4.502 4.556 -0.001 0.000 0.286 572 H C 2.009 177.294 175.328 -0.072 0.000 1.037 572 H CA 1.328 57.345 56.048 -0.051 0.000 1.250 572 H CB -0.951 28.797 29.762 -0.023 0.000 1.373 572 H HN 0.346 nan 8.280 nan 0.000 0.580 573 Q N 1.331 120.872 119.800 -0.431 0.000 2.187 573 Q HA 0.021 4.361 4.340 -0.001 0.000 0.199 573 Q C 0.021 175.920 176.000 -0.167 0.000 0.957 573 Q CA 0.655 56.288 55.803 -0.283 0.000 0.857 573 Q CB 0.535 29.066 28.738 -0.346 0.000 0.929 573 Q HN 0.240 nan 8.270 nan 0.000 0.453 574 S N 1.638 117.226 115.700 -0.186 0.000 2.399 574 S HA 0.228 4.697 4.470 -0.001 0.000 0.215 574 S C -2.176 172.427 174.600 0.005 0.000 1.456 574 S CA -1.104 57.051 58.200 -0.075 0.000 1.199 574 S CB 1.698 64.865 63.200 -0.055 0.000 1.063 574 S HN 0.289 nan 8.310 nan 0.000 0.476 575 P HA -0.045 nan 4.420 nan 0.000 0.213 575 P C 0.154 177.534 177.300 0.133 0.000 1.170 575 P CA 1.101 64.262 63.100 0.101 0.000 0.889 575 P CB 0.078 31.830 31.700 0.086 0.000 0.782 576 D N 0.574 121.035 120.400 0.101 0.000 2.395 576 D HA 0.190 4.829 4.640 -0.001 0.000 0.250 576 D C 0.547 176.915 176.300 0.114 0.000 1.203 576 D CA 0.113 54.175 54.000 0.103 0.000 0.872 576 D CB -0.496 40.345 40.800 0.069 0.000 0.941 576 D HN 0.155 nan 8.370 nan 0.000 0.504 577 A N 0.613 123.527 122.820 0.157 0.000 2.566 577 A HA 0.110 4.429 4.320 -0.001 0.000 0.245 577 A C 0.857 178.541 177.584 0.166 0.000 1.056 577 A CA 0.291 52.439 52.037 0.185 0.000 0.757 577 A CB 0.062 19.265 19.000 0.339 0.000 0.979 577 A HN 0.043 nan 8.150 nan 0.000 0.508 578 T N 4.483 119.115 114.554 0.130 0.000 3.379 578 T HA 0.227 4.577 4.350 -0.001 0.000 0.274 578 T C 0.469 175.237 174.700 0.113 0.000 1.555 578 T CA -0.475 61.701 62.100 0.127 0.000 1.297 578 T CB -0.662 68.283 68.868 0.128 0.000 1.132 578 T HN 0.819 nan 8.240 nan 0.000 0.722 579 R N 0.291 120.853 120.500 0.103 0.000 2.466 579 R HA 0.055 4.395 4.340 -0.001 0.000 0.280 579 R C -0.754 175.497 176.300 -0.082 0.000 0.926 579 R CA -0.058 56.103 56.100 0.102 0.000 1.127 579 R CB -0.252 30.083 30.300 0.059 0.000 0.871 579 R HN 0.127 nan 8.270 nan 0.000 0.421 580 V N 4.525 124.414 119.914 -0.042 0.000 2.483 580 V HA 0.439 4.559 4.120 -0.001 0.000 0.295 580 V C -0.386 175.575 176.094 -0.221 0.000 1.035 580 V CA -0.515 61.736 62.300 -0.081 0.000 0.896 580 V CB 1.127 32.969 31.823 0.033 0.000 0.986 580 V HN 0.577 nan 8.190 nan 0.000 0.447 581 F N 3.178 123.126 119.950 -0.004 0.000 2.508 581 F HA 0.728 5.255 4.527 -0.001 0.000 0.325 581 F C -0.088 175.670 175.800 -0.070 0.000 1.090 581 F CA -0.815 57.160 58.000 -0.041 0.000 0.945 581 F CB 2.175 41.083 39.000 -0.153 0.000 1.156 581 F HN 0.202 nan 8.300 nan 0.000 0.463 582 V N 3.535 123.597 119.914 0.245 0.000 2.623 582 V HA 0.314 4.433 4.120 -0.001 0.000 0.304 582 V C -0.719 175.491 176.094 0.193 0.000 1.054 582 V CA -0.994 61.386 62.300 0.135 0.000 0.882 582 V CB 1.640 33.594 31.823 0.219 0.000 1.002 582 V HN 0.829 nan 8.190 nan 0.000 0.424 583 N N 4.366 123.158 118.700 0.153 0.000 2.716 583 N HA -0.199 4.540 4.740 -0.001 0.000 0.250 583 N C 0.964 176.702 175.510 0.380 0.000 1.033 583 N CA 1.818 55.108 53.050 0.400 0.000 0.727 583 N CB -1.004 37.653 38.487 0.284 0.000 0.950 583 N HN 1.657 nan 8.380 nan 0.000 0.541 584 G N -2.697 106.339 108.800 0.393 0.000 2.221 584 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.265 584 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.265 584 G C -0.122 174.988 174.900 0.350 0.000 1.041 584 G CA 0.388 45.687 45.100 0.330 0.000 0.807 584 G HN 0.576 nan 8.290 nan 0.000 0.502 585 V N -0.826 119.278 119.914 0.317 0.000 2.876 585 V HA 0.719 4.838 4.120 -0.001 0.000 0.312 585 V C -0.390 175.774 176.094 0.116 0.000 1.085 585 V CA -1.251 61.103 62.300 0.089 0.000 0.945 585 V CB 2.077 33.767 31.823 -0.222 0.000 1.017 585 V HN 0.311 nan 8.190 nan 0.000 0.428 586 W N 4.084 125.261 121.300 -0.205 0.000 2.317 586 W HA 0.481 5.140 4.660 -0.001 0.000 0.327 586 W C 0.666 176.925 176.519 -0.433 0.000 1.036 586 W CA -0.787 56.324 57.345 -0.390 0.000 1.419 586 W CB 0.136 29.471 29.460 -0.209 0.000 1.253 586 W HN 0.669 nan 8.180 nan 0.000 0.392 587 H N 3.804 122.910 119.070 0.060 0.000 2.519 587 H HA 0.320 4.875 4.556 -0.001 0.000 0.289 587 H C 1.262 176.472 175.328 -0.197 0.000 1.040 587 H CA 0.946 56.957 56.048 -0.061 0.000 1.165 587 H CB 0.085 29.843 29.762 -0.007 0.000 1.462 587 H HN 0.586 nan 8.280 nan 0.000 0.555 588 G N -0.157 108.416 108.800 -0.378 0.000 2.342 588 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.220 588 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.220 588 G C -0.788 173.911 174.900 -0.334 0.000 1.243 588 G CA -0.243 44.550 45.100 -0.512 0.000 1.083 588 G HN 0.152 nan 8.290 nan 0.000 0.500 589 V N -1.145 118.651 119.914 -0.197 0.000 3.856 589 V HA 1.002 5.121 4.120 -0.001 0.000 0.302 589 V C -0.138 176.036 176.094 0.133 0.000 1.389 589 V CA 0.346 62.632 62.300 -0.024 0.000 0.964 589 V CB 1.665 33.448 31.823 -0.066 0.000 1.227 589 V HN 2.000 nan 8.190 nan 0.000 0.474 590 H N -0.616 118.474 119.070 0.033 0.000 2.987 590 H HA 0.370 4.926 4.556 -0.001 0.000 0.285 590 H C -0.351 175.017 175.328 0.067 0.000 1.176 590 H CA -0.578 55.501 56.048 0.052 0.000 1.596 590 H CB 0.866 30.666 29.762 0.063 0.000 2.044 590 H HN 0.539 nan 8.280 nan 0.000 0.500 591 R N 1.781 121.965 120.500 -0.526 0.000 1.523 591 R HA 0.120 4.459 4.340 -0.001 0.000 0.081 591 R C 0.274 176.273 176.300 -0.502 0.000 0.519 591 R CA -0.413 55.469 56.100 -0.364 0.000 2.012 591 R CB -0.384 29.778 30.300 -0.231 0.000 0.617 591 R HN 0.685 nan 8.270 nan 0.000 0.747 592 N N 3.408 121.945 118.700 -0.271 0.000 2.106 592 N HA -0.093 4.646 4.740 -0.001 0.000 0.284 592 N C -1.685 173.839 175.510 0.025 0.000 1.388 592 N CA -0.161 52.831 53.050 -0.096 0.000 0.944 592 N CB 0.520 38.992 38.487 -0.026 0.000 1.333 592 N HN 0.306 nan 8.380 nan 0.000 0.489 593 P HA 0.039 nan 4.420 nan 0.000 0.232 593 P C 1.078 178.508 177.300 0.217 0.000 1.170 593 P CA 0.354 63.674 63.100 0.366 0.000 0.824 593 P CB 0.069 31.960 31.700 0.318 0.000 0.896 594 A N 1.425 124.332 122.820 0.144 0.000 2.001 594 A HA -0.271 4.048 4.320 -0.001 0.000 0.224 594 A C 2.367 180.018 177.584 0.112 0.000 1.203 594 A CA 1.992 54.093 52.037 0.106 0.000 0.667 594 A CB -1.199 17.850 19.000 0.083 0.000 0.823 594 A HN 0.185 nan 8.150 nan 0.000 0.473 595 R N -1.845 118.744 120.500 0.149 0.000 2.064 595 R HA 0.094 4.434 4.340 -0.001 0.000 0.221 595 R C 2.171 178.568 176.300 0.160 0.000 1.136 595 R CA 0.894 57.087 56.100 0.155 0.000 0.980 595 R CB -0.653 29.757 30.300 0.183 0.000 0.876 595 R HN 0.475 nan 8.270 nan 0.000 0.437 596 L N 1.224 122.567 121.223 0.200 0.000 2.103 596 L HA -0.263 4.077 4.340 -0.001 0.000 0.215 596 L C 2.192 179.082 176.870 0.034 0.000 1.080 596 L CA 1.875 56.775 54.840 0.100 0.000 0.764 596 L CB -0.395 41.625 42.059 -0.065 0.000 0.890 596 L HN 0.154 nan 8.230 nan 0.000 0.435 597 M N 0.068 119.700 119.600 0.054 0.000 2.101 597 M HA -0.190 4.290 4.480 -0.001 0.000 0.259 597 M C 2.290 178.591 176.300 0.003 0.000 1.083 597 M CA 2.202 57.513 55.300 0.020 0.000 1.114 597 M CB -0.822 31.804 32.600 0.044 0.000 1.281 597 M HN 0.409 nan 8.290 nan 0.000 0.422 598 E N -1.545 118.672 120.200 0.029 0.000 2.448 598 E HA -0.177 4.172 4.350 -0.001 0.000 0.203 598 E C 1.057 177.658 176.600 0.001 0.000 1.046 598 E CA 1.395 57.805 56.400 0.018 0.000 0.871 598 E CB -0.013 29.708 29.700 0.035 0.000 0.790 598 E HN 0.561 nan 8.360 nan 0.000 0.545 599 T N -0.096 114.456 114.554 -0.003 0.000 3.054 599 T HA 0.072 4.421 4.350 -0.001 0.000 0.259 599 T C 1.527 176.140 174.700 -0.145 0.000 1.092 599 T CA 0.266 62.337 62.100 -0.049 0.000 1.121 599 T CB 0.189 69.044 68.868 -0.022 0.000 0.912 599 T HN 0.159 nan 8.240 nan 0.000 0.489 600 L N 0.019 121.150 121.223 -0.154 0.000 2.168 600 L HA 0.200 4.540 4.340 -0.001 0.000 0.203 600 L C 2.695 179.465 176.870 -0.167 0.000 1.078 600 L CA 0.674 55.368 54.840 -0.243 0.000 0.780 600 L CB -0.325 41.586 42.059 -0.248 0.000 0.939 600 L HN 0.030 nan 8.230 nan 0.000 0.451 601 R N -0.302 120.140 120.500 -0.096 0.000 2.159 601 R HA -0.107 4.232 4.340 -0.001 0.000 0.237 601 R C 1.819 178.080 176.300 -0.064 0.000 1.131 601 R CA 1.656 57.719 56.100 -0.061 0.000 0.982 601 R CB -0.266 30.023 30.300 -0.020 0.000 0.868 601 R HN 0.331 nan 8.270 nan 0.000 0.453 602 T N 0.429 114.942 114.554 -0.069 0.000 3.065 602 T HA 0.102 4.451 4.350 -0.001 0.000 0.252 602 T C 1.486 176.142 174.700 -0.073 0.000 1.099 602 T CA 0.043 62.109 62.100 -0.057 0.000 1.063 602 T CB 0.265 69.112 68.868 -0.034 0.000 0.948 602 T HN 0.062 nan 8.240 nan 0.000 0.506 603 L N 1.320 122.477 121.223 -0.111 0.000 2.240 603 L HA 0.161 4.500 4.340 -0.001 0.000 0.211 603 L C 2.513 179.312 176.870 -0.118 0.000 1.106 603 L CA 1.313 56.078 54.840 -0.124 0.000 0.793 603 L CB -0.489 41.433 42.059 -0.229 0.000 0.927 603 L HN 0.234 nan 8.230 nan 0.000 0.446 604 R N 0.290 120.717 120.500 -0.122 0.000 2.057 604 R HA -0.071 4.268 4.340 -0.001 0.000 0.224 604 R C 1.955 178.195 176.300 -0.101 0.000 1.136 604 R CA 0.450 56.483 56.100 -0.112 0.000 0.968 604 R CB -0.095 30.140 30.300 -0.109 0.000 0.863 604 R HN 0.179 nan 8.270 nan 0.000 0.433 605 R N 0.507 120.952 120.500 -0.091 0.000 2.397 605 R HA -0.107 4.232 4.340 -0.001 0.000 0.213 605 R C 1.803 178.053 176.300 -0.083 0.000 1.102 605 R CA 0.967 57.011 56.100 -0.093 0.000 1.040 605 R CB -0.012 30.243 30.300 -0.076 0.000 0.844 605 R HN 0.252 nan 8.270 nan 0.000 0.478 606 K N -0.928 119.430 120.400 -0.070 0.000 2.436 606 K HA 0.036 4.355 4.320 -0.001 0.000 0.198 606 K C 0.730 177.301 176.600 -0.048 0.000 1.174 606 K CA 0.876 57.133 56.287 -0.050 0.000 0.951 606 K CB 0.984 33.465 32.500 -0.032 0.000 1.040 606 K HN 0.197 nan 8.250 nan 0.000 0.536 607 G N 1.505 110.270 108.800 -0.059 0.000 2.159 607 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.170 607 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.170 607 G C 0.148 175.028 174.900 -0.033 0.000 1.007 607 G CA 0.268 45.339 45.100 -0.049 0.000 0.672 607 G HN 0.336 nan 8.290 nan 0.000 0.507 608 D N 0.105 120.481 120.400 -0.040 0.000 2.213 608 D HA 0.129 4.768 4.640 -0.001 0.000 0.205 608 D C 1.345 177.613 176.300 -0.053 0.000 0.961 608 D CA 0.693 54.676 54.000 -0.028 0.000 0.853 608 D CB 0.561 41.354 40.800 -0.011 0.000 0.967 608 D HN 0.524 nan 8.370 nan 0.000 0.496 609 I N 1.894 122.408 120.570 -0.094 0.000 2.355 609 I HA 0.086 4.255 4.170 -0.001 0.000 0.288 609 I C 0.366 176.436 176.117 -0.079 0.000 0.999 609 I CA -0.827 60.404 61.300 -0.115 0.000 1.163 609 I CB 1.118 39.006 38.000 -0.188 0.000 1.316 609 I HN -0.223 nan 8.210 nan 0.000 0.454 610 N N 8.571 127.245 118.700 -0.044 0.000 2.142 610 N HA -0.086 4.653 4.740 -0.001 0.000 0.282 610 N C -1.633 173.850 175.510 -0.045 0.000 1.342 610 N CA -0.473 52.564 53.050 -0.021 0.000 0.831 610 N CB 0.929 39.424 38.487 0.014 0.000 1.083 610 N HN 0.345 nan 8.380 nan 0.000 0.492 611 P HA -0.168 nan 4.420 nan 0.000 0.223 611 P C 0.890 178.140 177.300 -0.083 0.000 1.140 611 P CA 1.052 64.067 63.100 -0.141 0.000 0.783 611 P CB 0.289 31.830 31.700 -0.266 0.000 0.759 612 E N -0.410 119.781 120.200 -0.016 0.000 2.021 612 E HA -0.052 4.297 4.350 -0.001 0.000 0.189 612 E C 0.292 176.818 176.600 -0.123 0.000 0.980 612 E CA 0.276 56.616 56.400 -0.101 0.000 0.803 612 E CB -0.142 29.547 29.700 -0.018 0.000 0.766 612 E HN -0.169 nan 8.360 nan 0.000 0.449 613 V N 2.173 122.063 119.914 -0.040 0.000 2.992 613 V HA -0.139 3.980 4.120 -0.001 0.000 0.294 613 V C 0.240 176.330 176.094 -0.007 0.000 1.254 613 V CA 0.919 63.217 62.300 -0.004 0.000 1.359 613 V CB 0.780 32.596 31.823 -0.011 0.000 0.914 613 V HN 0.402 nan 8.190 nan 0.000 0.519 614 S N 5.276 121.005 115.700 0.049 0.000 2.536 614 S HA 0.911 5.380 4.470 -0.001 0.000 0.298 614 S C -0.903 173.721 174.600 0.039 0.000 1.083 614 S CA -1.042 57.193 58.200 0.059 0.000 0.995 614 S CB 1.947 65.218 63.200 0.119 0.000 1.058 614 S HN 0.554 nan 8.310 nan 0.000 0.488 615 M N 2.269 121.873 119.600 0.008 0.000 2.326 615 M HA 0.561 5.040 4.480 -0.001 0.000 0.292 615 M C -1.777 174.522 176.300 -0.000 0.000 1.081 615 M CA -0.455 54.825 55.300 -0.032 0.000 0.919 615 M CB 1.791 34.353 32.600 -0.062 0.000 1.634 615 M HN 0.513 nan 8.290 nan 0.000 0.451 616 I N 1.982 122.549 120.570 -0.006 0.000 2.498 616 I HA 0.516 4.685 4.170 -0.001 0.000 0.290 616 I C -0.437 175.699 176.117 0.031 0.000 1.032 616 I CA -0.482 60.835 61.300 0.028 0.000 1.073 616 I CB 2.152 40.184 38.000 0.053 0.000 1.251 616 I HN 0.658 nan 8.210 nan 0.000 0.426 617 R N 4.175 124.703 120.500 0.046 0.000 2.246 617 R HA 0.283 4.622 4.340 -0.001 0.000 0.332 617 R C -0.886 175.452 176.300 0.064 0.000 0.974 617 R CA -0.358 55.776 56.100 0.056 0.000 0.837 617 R CB 0.617 30.952 30.300 0.058 0.000 1.145 617 R HN 0.594 nan 8.270 nan 0.000 0.467 618 D N 6.611 127.052 120.400 0.070 0.000 2.564 618 D HA 0.090 4.730 4.640 -0.001 0.000 0.226 618 D C 1.429 177.775 176.300 0.076 0.000 1.149 618 D CA -0.120 53.923 54.000 0.072 0.000 0.994 618 D CB 0.474 41.319 40.800 0.075 0.000 1.029 618 D HN 0.631 nan 8.370 nan 0.000 0.517 619 I N 1.568 122.180 120.570 0.070 0.000 2.052 619 I HA -0.358 3.812 4.170 -0.001 0.000 0.235 619 I C 2.316 178.476 176.117 0.071 0.000 1.046 619 I CA 1.160 62.503 61.300 0.070 0.000 1.308 619 I CB -0.146 37.891 38.000 0.061 0.000 1.031 619 I HN 0.229 nan 8.210 nan 0.000 0.395 620 R N 0.206 120.743 120.500 0.062 0.000 2.276 620 R HA -0.241 4.099 4.340 -0.001 0.000 0.243 620 R C 1.762 178.103 176.300 0.069 0.000 1.161 620 R CA 1.373 57.508 56.100 0.059 0.000 1.007 620 R CB -0.305 30.025 30.300 0.050 0.000 0.867 620 R HN 0.375 nan 8.270 nan 0.000 0.472 621 E N 0.273 120.521 120.200 0.079 0.000 2.490 621 E HA 0.074 4.423 4.350 -0.001 0.000 0.209 621 E C -0.636 176.034 176.600 0.117 0.000 0.971 621 E CA 0.031 56.487 56.400 0.094 0.000 0.988 621 E CB 0.484 30.238 29.700 0.090 0.000 1.029 621 E HN 0.037 nan 8.360 nan 0.000 0.496 622 K N 1.269 121.735 120.400 0.109 0.000 3.585 622 K HA -0.186 4.133 4.320 -0.001 0.000 0.275 622 K C -1.063 175.614 176.600 0.127 0.000 1.026 622 K CA 0.871 57.229 56.287 0.119 0.000 0.800 622 K CB -1.373 31.207 32.500 0.133 0.000 1.401 622 K HN 0.236 nan 8.250 nan 0.000 0.453 623 E N 0.299 120.571 120.200 0.120 0.000 2.390 623 E HA 0.477 4.827 4.350 -0.001 0.000 0.277 623 E C -1.444 175.226 176.600 0.118 0.000 0.939 623 E CA -1.187 55.294 56.400 0.135 0.000 0.769 623 E CB 1.876 31.690 29.700 0.189 0.000 1.251 623 E HN 0.052 nan 8.360 nan 0.000 0.450 624 L N 2.226 123.521 121.223 0.120 0.000 2.342 624 L HA 0.380 4.719 4.340 -0.001 0.000 0.276 624 L C -1.321 175.598 176.870 0.082 0.000 0.997 624 L CA -0.514 54.372 54.840 0.076 0.000 0.838 624 L CB 0.905 42.993 42.059 0.050 0.000 1.224 624 L HN 0.304 nan 8.230 nan 0.000 0.416 625 K N 6.678 127.073 120.400 -0.009 0.000 2.265 625 K HA 0.577 4.896 4.320 -0.001 0.000 0.267 625 K C -1.088 175.314 176.600 -0.331 0.000 0.994 625 K CA -0.336 55.833 56.287 -0.196 0.000 0.860 625 K CB 2.026 34.413 32.500 -0.188 0.000 1.099 625 K HN 0.570 nan 8.250 nan 0.000 0.448 626 I N 3.918 124.188 120.570 -0.499 0.000 2.499 626 I HA 0.380 4.549 4.170 -0.001 0.000 0.288 626 I C -0.957 174.864 176.117 -0.493 0.000 1.048 626 I CA -0.751 60.332 61.300 -0.363 0.000 1.062 626 I CB 1.287 39.189 38.000 -0.164 0.000 1.238 626 I HN 0.407 nan 8.210 nan 0.000 0.426 627 F N 3.565 123.533 119.950 0.029 0.000 2.532 627 F HA 0.401 4.928 4.527 -0.001 0.000 0.321 627 F C 1.019 176.829 175.800 0.016 0.000 1.089 627 F CA -0.428 57.589 58.000 0.028 0.000 0.926 627 F CB 2.360 41.371 39.000 0.018 0.000 1.168 627 F HN 0.305 nan 8.300 nan 0.000 0.459 628 T N -0.859 113.845 114.554 0.250 0.000 2.964 628 T HA -0.007 4.342 4.350 -0.001 0.000 0.249 628 T C 0.075 174.852 174.700 0.128 0.000 1.000 628 T CA -0.087 62.097 62.100 0.140 0.000 0.992 628 T CB -0.096 68.834 68.868 0.103 0.000 1.087 628 T HN 0.543 nan 8.240 nan 0.000 0.489 629 D N 2.150 122.636 120.400 0.143 0.000 2.860 629 D HA -0.070 4.570 4.640 -0.001 0.000 0.210 629 D C -0.056 176.277 176.300 0.056 0.000 1.139 629 D CA 0.524 54.569 54.000 0.075 0.000 0.821 629 D CB 0.414 41.213 40.800 -0.001 0.000 1.196 629 D HN 0.344 nan 8.370 nan 0.000 0.522 630 A N 2.070 124.918 122.820 0.047 0.000 2.316 630 A HA 0.561 4.881 4.320 -0.001 0.000 0.311 630 A C 0.948 178.546 177.584 0.023 0.000 1.339 630 A CA 0.405 52.474 52.037 0.053 0.000 0.960 630 A CB 0.414 19.453 19.000 0.065 0.000 1.152 630 A HN 0.773 nan 8.150 nan 0.000 0.547 631 G N 2.478 111.291 108.800 0.022 0.000 2.165 631 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.144 631 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.144 631 G C -0.155 174.708 174.900 -0.062 0.000 1.049 631 G CA -0.784 44.304 45.100 -0.020 0.000 0.741 631 G HN 0.750 nan 8.290 nan 0.000 0.493 632 R N 0.536 121.033 120.500 -0.005 0.000 2.229 632 R HA 0.545 4.884 4.340 -0.001 0.000 0.332 632 R C 0.255 176.578 176.300 0.039 0.000 0.989 632 R CA -0.673 55.414 56.100 -0.022 0.000 0.842 632 R CB 2.239 32.556 30.300 0.029 0.000 1.119 632 R HN 0.068 nan 8.270 nan 0.000 0.456 633 V N 5.181 125.042 119.914 -0.089 0.000 2.521 633 V HA 0.084 4.204 4.120 -0.001 0.000 0.286 633 V C -0.379 175.764 176.094 0.083 0.000 1.034 633 V CA 0.137 62.401 62.300 -0.059 0.000 1.045 633 V CB -0.338 31.492 31.823 0.011 0.000 0.974 633 V HN 0.645 nan 8.190 nan 0.000 0.480 634 Y N 4.232 124.532 120.300 0.001 0.000 2.553 634 Y HA 0.874 5.423 4.550 -0.001 0.000 0.347 634 Y C -0.348 175.528 175.900 -0.041 0.000 1.019 634 Y CA -1.698 56.402 58.100 -0.000 0.000 1.032 634 Y CB 1.364 39.813 38.460 -0.018 0.000 1.284 634 Y HN 0.654 nan 8.280 nan 0.000 0.466 635 R N 1.468 122.092 120.500 0.207 0.000 3.006 635 R HA 0.804 5.143 4.340 -0.001 0.000 0.235 635 R C -3.185 173.217 176.300 0.169 0.000 1.362 635 R CA -1.946 54.209 56.100 0.093 0.000 1.067 635 R CB 2.039 32.374 30.300 0.060 0.000 1.396 635 R HN 0.544 nan 8.270 nan 0.000 0.504 636 P HA 0.523 nan 4.420 nan 0.000 0.301 636 P C -1.211 176.122 177.300 0.055 0.000 1.361 636 P CA -0.752 62.462 63.100 0.190 0.000 0.994 636 P CB 2.413 34.195 31.700 0.136 0.000 1.234 637 L N 1.816 123.100 121.223 0.101 0.000 2.424 637 L HA 0.502 4.841 4.340 -0.001 0.000 0.258 637 L C 0.009 176.991 176.870 0.186 0.000 0.995 637 L CA -1.063 53.813 54.840 0.060 0.000 0.821 637 L CB 2.379 44.498 42.059 0.101 0.000 1.383 637 L HN 0.309 nan 8.230 nan 0.000 0.410 638 F N 1.999 122.000 119.950 0.086 0.000 2.418 638 F HA 0.364 4.891 4.527 -0.001 0.000 0.341 638 F C 0.439 176.257 175.800 0.031 0.000 1.120 638 F CA -0.605 57.407 58.000 0.020 0.000 1.232 638 F CB 1.071 40.063 39.000 -0.013 0.000 1.175 638 F HN 0.151 nan 8.300 nan 0.000 0.569 639 I N 2.920 123.566 120.570 0.126 0.000 2.437 639 I HA 0.132 4.301 4.170 -0.001 0.000 0.298 639 I C 0.336 176.385 176.117 -0.113 0.000 0.984 639 I CA -0.407 60.827 61.300 -0.111 0.000 1.214 639 I CB 1.887 39.798 38.000 -0.148 0.000 1.365 639 I HN 0.418 nan 8.210 nan 0.000 0.469 640 V N 2.351 122.175 119.914 -0.149 0.000 3.621 640 V HA 0.042 4.162 4.120 -0.001 0.000 0.263 640 V C 0.470 176.515 176.094 -0.082 0.000 1.272 640 V CA -0.030 62.224 62.300 -0.077 0.000 1.080 640 V CB -0.611 31.218 31.823 0.010 0.000 0.816 640 V HN 0.697 nan 8.190 nan 0.000 0.451 641 E N 3.011 123.149 120.200 -0.103 0.000 2.612 641 E HA -0.225 4.124 4.350 -0.001 0.000 0.331 641 E C 1.036 177.598 176.600 -0.064 0.000 0.695 641 E CA 0.942 57.297 56.400 -0.075 0.000 1.220 641 E CB -0.048 29.607 29.700 -0.076 0.000 0.606 641 E HN 0.754 nan 8.360 nan 0.000 0.452 642 D N 2.205 122.577 120.400 -0.047 0.000 2.411 642 D HA -0.204 4.435 4.640 -0.001 0.000 0.226 642 D C -0.226 176.043 176.300 -0.052 0.000 0.988 642 D CA 0.208 54.173 54.000 -0.057 0.000 0.938 642 D CB -0.027 40.758 40.800 -0.024 0.000 0.883 642 D HN 0.184 nan 8.370 nan 0.000 0.525 643 D N 1.708 122.083 120.400 -0.042 0.000 2.773 643 D HA -0.034 4.605 4.640 -0.001 0.000 0.225 643 D C -0.145 176.134 176.300 -0.034 0.000 1.065 643 D CA 0.646 54.629 54.000 -0.030 0.000 1.308 643 D CB -0.239 40.546 40.800 -0.025 0.000 1.144 643 D HN 0.283 nan 8.370 nan 0.000 0.462 644 E N 0.061 120.237 120.200 -0.039 0.000 2.593 644 E HA 0.047 4.397 4.350 -0.001 0.000 0.232 644 E C 0.775 177.367 176.600 -0.013 0.000 1.026 644 E CA -0.186 56.192 56.400 -0.037 0.000 0.772 644 E CB 0.931 30.585 29.700 -0.076 0.000 1.310 644 E HN 0.108 nan 8.360 nan 0.000 0.413 645 S N 2.070 117.768 115.700 -0.004 0.000 2.488 645 S HA -0.112 4.358 4.470 -0.001 0.000 0.246 645 S C 1.224 175.833 174.600 0.015 0.000 0.992 645 S CA 0.578 58.782 58.200 0.007 0.000 0.963 645 S CB -0.112 63.092 63.200 0.006 0.000 0.754 645 S HN 0.467 nan 8.310 nan 0.000 0.519 646 L N 1.910 123.142 121.223 0.015 0.000 3.048 646 L HA 0.547 4.887 4.340 -0.001 0.000 0.234 646 L C 1.043 177.946 176.870 0.054 0.000 1.318 646 L CA -0.069 54.788 54.840 0.028 0.000 1.109 646 L CB -0.295 41.777 42.059 0.022 0.000 1.480 646 L HN 0.586 nan 8.230 nan 0.000 0.495 647 G N -0.965 107.876 108.800 0.068 0.000 2.250 647 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.252 647 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.252 647 G C -0.211 174.780 174.900 0.152 0.000 1.325 647 G CA -0.234 44.950 45.100 0.139 0.000 1.091 647 G HN 0.292 nan 8.290 nan 0.000 0.476 648 H N 0.938 120.025 119.070 0.029 0.000 2.022 648 H HA 0.604 5.159 4.556 -0.001 0.000 0.247 648 H C 0.592 175.942 175.328 0.036 0.000 1.663 648 H CA 0.843 56.913 56.048 0.036 0.000 1.440 648 H CB -0.472 29.321 29.762 0.051 0.000 1.744 648 H HN 0.578 nan 8.280 nan 0.000 0.639 649 K N -0.222 120.042 120.400 -0.226 0.000 2.118 649 K HA 0.306 4.625 4.320 -0.001 0.000 0.264 649 K C -0.748 175.576 176.600 -0.459 0.000 1.000 649 K CA -0.197 55.965 56.287 -0.208 0.000 0.929 649 K CB 0.734 33.252 32.500 0.030 0.000 1.021 649 K HN 0.687 nan 8.250 nan 0.000 0.463 650 E N 2.135 122.189 120.200 -0.244 0.000 2.401 650 E HA 0.179 4.529 4.350 -0.001 0.000 0.283 650 E C -1.634 174.890 176.600 -0.126 0.000 1.053 650 E CA -0.499 55.776 56.400 -0.207 0.000 0.842 650 E CB 0.554 30.094 29.700 -0.266 0.000 1.222 650 E HN 0.442 nan 8.360 nan 0.000 0.429 651 L N 4.704 125.860 121.223 -0.112 0.000 2.640 651 L HA 0.002 4.342 4.340 -0.001 0.000 0.280 651 L C 1.580 178.355 176.870 -0.159 0.000 1.229 651 L CA 0.375 55.128 54.840 -0.146 0.000 0.919 651 L CB 0.282 42.220 42.059 -0.201 0.000 1.168 651 L HN 0.649 nan 8.230 nan 0.000 0.496 652 K N 2.196 122.494 120.400 -0.169 0.000 2.147 652 K HA -0.061 4.258 4.320 -0.001 0.000 0.205 652 K C 0.419 176.912 176.600 -0.180 0.000 1.049 652 K CA 0.763 56.960 56.287 -0.150 0.000 0.936 652 K CB 0.047 32.456 32.500 -0.151 0.000 0.722 652 K HN 0.397 nan 8.250 nan 0.000 0.446 653 V N 2.511 122.238 119.914 -0.311 0.000 2.775 653 V HA 0.084 4.203 4.120 -0.001 0.000 0.299 653 V C 0.403 176.453 176.094 -0.074 0.000 1.062 653 V CA -0.148 61.952 62.300 -0.333 0.000 1.063 653 V CB 1.159 32.648 31.823 -0.555 0.000 0.994 653 V HN 0.221 nan 8.190 nan 0.000 0.483 654 R N 2.244 122.889 120.500 0.241 0.000 2.808 654 R HA 0.368 4.707 4.340 -0.001 0.000 0.272 654 R C 0.596 176.956 176.300 0.100 0.000 0.995 654 R CA -1.074 55.095 56.100 0.115 0.000 0.917 654 R CB 0.980 31.331 30.300 0.085 0.000 1.217 654 R HN 0.584 nan 8.270 nan 0.000 0.471 655 K N 0.598 121.024 120.400 0.043 0.000 2.520 655 K HA -0.149 4.170 4.320 -0.001 0.000 0.198 655 K C 1.413 178.036 176.600 0.038 0.000 1.045 655 K CA 1.854 58.169 56.287 0.046 0.000 0.934 655 K CB -0.236 32.284 32.500 0.032 0.000 0.766 655 K HN 0.744 nan 8.250 nan 0.000 0.483 656 G N -0.922 107.876 108.800 -0.004 0.000 2.437 656 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.212 656 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.212 656 G C 1.022 175.903 174.900 -0.031 0.000 1.174 656 G CA 0.092 45.151 45.100 -0.068 0.000 0.811 656 G HN 0.314 nan 8.290 nan 0.000 0.537 657 H N 0.665 119.780 119.070 0.076 0.000 2.353 657 H HA -0.052 4.504 4.556 -0.001 0.000 0.298 657 H C 2.618 178.109 175.328 0.271 0.000 1.103 657 H CA 1.349 57.523 56.048 0.211 0.000 1.293 657 H CB -0.070 29.778 29.762 0.143 0.000 1.372 657 H HN 0.295 nan 8.280 nan 0.000 0.501 658 I N 0.521 121.254 120.570 0.271 0.000 2.090 658 I HA -0.246 3.923 4.170 -0.001 0.000 0.236 658 I C 2.808 179.041 176.117 0.195 0.000 1.064 658 I CA 1.092 62.522 61.300 0.216 0.000 1.324 658 I CB -0.394 37.699 38.000 0.156 0.000 1.044 658 I HN 0.152 nan 8.210 nan 0.000 0.399 659 A N 0.075 122.973 122.820 0.131 0.000 2.076 659 A HA -0.261 4.059 4.320 -0.001 0.000 0.220 659 A C 2.244 179.893 177.584 0.108 0.000 1.160 659 A CA 1.638 53.733 52.037 0.098 0.000 0.653 659 A CB -0.557 18.472 19.000 0.048 0.000 0.801 659 A HN 0.380 nan 8.150 nan 0.000 0.455 660 K N -0.848 119.632 120.400 0.132 0.000 2.487 660 K HA 0.246 4.565 4.320 -0.001 0.000 0.192 660 K C 1.260 178.059 176.600 0.331 0.000 1.027 660 K CA 0.179 56.528 56.287 0.103 0.000 1.054 660 K CB -0.092 32.334 32.500 -0.125 0.000 0.824 660 K HN 0.526 nan 8.250 nan 0.000 0.510 661 L N -0.450 120.991 121.223 0.364 0.000 2.347 661 L HA 0.115 4.454 4.340 -0.001 0.000 0.196 661 L C 1.991 179.013 176.870 0.254 0.000 1.072 661 L CA 0.196 55.249 54.840 0.356 0.000 0.817 661 L CB -0.070 42.162 42.059 0.288 0.000 1.029 661 L HN 0.140 nan 8.230 nan 0.000 0.478 662 M N -0.111 119.618 119.600 0.214 0.000 2.629 662 M HA -0.135 4.344 4.480 -0.001 0.000 0.257 662 M C 2.020 178.428 176.300 0.181 0.000 1.071 662 M CA 1.116 56.528 55.300 0.187 0.000 1.077 662 M CB -0.339 32.352 32.600 0.152 0.000 1.423 662 M HN 0.311 nan 8.290 nan 0.000 0.508 663 A N -0.335 122.591 122.820 0.177 0.000 1.975 663 A HA -0.034 4.285 4.320 -0.001 0.000 0.215 663 A C 2.100 179.807 177.584 0.206 0.000 1.170 663 A CA 1.308 53.445 52.037 0.167 0.000 0.656 663 A CB -0.498 18.573 19.000 0.118 0.000 0.821 663 A HN 0.381 nan 8.150 nan 0.000 0.449 664 T N -0.509 114.170 114.554 0.209 0.000 3.014 664 T HA -0.006 4.344 4.350 -0.001 0.000 0.263 664 T C 1.672 176.480 174.700 0.180 0.000 1.078 664 T CA 0.957 63.173 62.100 0.193 0.000 1.135 664 T CB -0.009 68.988 68.868 0.215 0.000 0.895 664 T HN 0.529 nan 8.240 nan 0.000 0.480 665 E N 0.415 120.735 120.200 0.200 0.000 2.051 665 E HA -0.140 4.209 4.350 -0.001 0.000 0.192 665 E C 1.853 178.565 176.600 0.186 0.000 0.991 665 E CA 0.965 57.475 56.400 0.184 0.000 0.799 665 E CB -0.210 29.607 29.700 0.194 0.000 0.748 665 E HN 0.496 nan 8.360 nan 0.000 0.449 666 Y N 1.807 122.153 120.300 0.077 0.000 2.256 666 Y HA -0.180 4.370 4.550 -0.001 0.000 0.288 666 Y C 1.164 177.093 175.900 0.049 0.000 1.155 666 Y CA 1.343 59.477 58.100 0.058 0.000 1.203 666 Y CB -0.001 38.491 38.460 0.054 0.000 0.980 666 Y HN -0.021 nan 8.280 nan 0.000 0.530 667 Q N 1.614 121.419 119.800 0.008 0.000 2.945 667 Q HA 0.092 4.431 4.340 -0.001 0.000 0.323 667 Q C -0.832 175.134 176.000 -0.056 0.000 1.188 667 Q CA 0.092 55.849 55.803 -0.077 0.000 0.929 667 Q CB -0.114 28.634 28.738 0.018 0.000 1.531 667 Q HN 0.401 nan 8.270 nan 0.000 0.444 679 Y N 4.112 124.467 120.300 0.092 0.000 2.717 679 Y HA 0.372 4.921 4.550 -0.001 0.000 0.329 679 Y C 0.494 176.472 175.900 0.131 0.000 1.017 679 Y CA -0.497 57.663 58.100 0.099 0.000 1.275 679 Y CB 0.360 38.879 38.460 0.098 0.000 1.109 679 Y HN 0.210 nan 8.280 nan 0.000 0.511 680 T N 1.075 115.686 114.554 0.095 0.000 3.133 680 T HA 0.009 4.359 4.350 -0.001 0.000 0.329 680 T C 1.175 175.909 174.700 0.058 0.000 1.248 680 T CA -0.227 61.936 62.100 0.105 0.000 0.933 680 T CB 0.241 69.204 68.868 0.157 0.000 1.943 680 T HN 0.728 nan 8.240 nan 0.000 0.572 681 W N 0.122 121.428 121.300 0.009 0.000 2.560 681 W HA 0.002 4.661 4.660 -0.001 0.000 0.303 681 W C 2.374 178.889 176.519 -0.007 0.000 1.151 681 W CA 0.916 58.277 57.345 0.026 0.000 1.426 681 W CB -0.660 28.888 29.460 0.147 0.000 1.135 681 W HN 0.609 nan 8.180 nan 0.000 0.522 682 S N 0.952 116.740 115.700 0.146 0.000 2.434 682 S HA -0.295 4.174 4.470 -0.001 0.000 0.243 682 S C 2.003 176.532 174.600 -0.120 0.000 1.045 682 S CA 2.379 60.589 58.200 0.016 0.000 1.019 682 S CB -0.465 62.801 63.200 0.110 0.000 0.811 682 S HN 0.518 nan 8.310 nan 0.000 0.485 683 S N 1.362 116.982 115.700 -0.132 0.000 2.335 683 S HA 0.010 4.479 4.470 -0.001 0.000 0.217 683 S C 1.724 176.166 174.600 -0.264 0.000 1.032 683 S CA 0.991 59.114 58.200 -0.129 0.000 0.985 683 S CB -0.789 62.361 63.200 -0.084 0.000 0.896 683 S HN 0.415 nan 8.310 nan 0.000 0.445 684 L N 0.857 121.801 121.223 -0.464 0.000 2.351 684 L HA -0.036 4.304 4.340 -0.001 0.000 0.220 684 L C 2.425 178.983 176.870 -0.520 0.000 1.127 684 L CA 0.896 55.422 54.840 -0.524 0.000 0.786 684 L CB -0.657 40.995 42.059 -0.677 0.000 0.914 684 L HN 0.358 nan 8.230 nan 0.000 0.443 685 L N -1.160 119.741 121.223 -0.537 0.000 2.221 685 L HA 0.098 4.438 4.340 -0.001 0.000 0.202 685 L C 1.792 178.502 176.870 -0.267 0.000 1.074 685 L CA 1.423 55.991 54.840 -0.453 0.000 0.795 685 L CB -0.403 41.351 42.059 -0.509 0.000 0.960 685 L HN 0.162 nan 8.230 nan 0.000 0.458 686 N N 0.373 118.958 118.700 -0.191 0.000 2.383 686 N HA -0.015 4.725 4.740 -0.001 0.000 0.192 686 N C 0.348 175.811 175.510 -0.078 0.000 1.141 686 N CA 0.345 53.330 53.050 -0.109 0.000 0.851 686 N CB 0.203 38.655 38.487 -0.059 0.000 0.976 686 N HN 0.554 nan 8.380 nan 0.000 0.465 687 E N -0.205 119.932 120.200 -0.104 0.000 2.734 687 E HA 0.155 4.505 4.350 -0.001 0.000 0.211 687 E C -0.072 176.463 176.600 -0.107 0.000 0.991 687 E CA -0.473 55.889 56.400 -0.063 0.000 1.065 687 E CB 0.372 30.065 29.700 -0.012 0.000 1.047 687 E HN 0.179 nan 8.360 nan 0.000 0.470 688 G N 1.826 110.548 108.800 -0.130 0.000 2.196 688 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.261 688 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.261 688 G C 0.434 175.244 174.900 -0.152 0.000 0.832 688 G CA 0.589 45.609 45.100 -0.132 0.000 1.246 688 G HN 0.376 nan 8.290 nan 0.000 0.383 689 L N -0.828 120.275 121.223 -0.200 0.000 2.948 689 L HA 0.315 4.654 4.340 -0.001 0.000 0.259 689 L C 0.352 177.147 176.870 -0.126 0.000 1.136 689 L CA 0.025 54.733 54.840 -0.218 0.000 0.959 689 L CB 0.731 42.578 42.059 -0.353 0.000 1.370 689 L HN 0.234 nan 8.230 nan 0.000 0.552 690 V N -0.259 119.569 119.914 -0.142 0.000 2.888 690 V HA 0.401 4.520 4.120 -0.001 0.000 0.309 690 V C -1.014 175.025 176.094 -0.092 0.000 1.114 690 V CA -0.677 61.592 62.300 -0.051 0.000 0.940 690 V CB 3.031 34.761 31.823 -0.154 0.000 1.021 690 V HN 0.034 nan 8.190 nan 0.000 0.426 691 E N 1.360 121.586 120.200 0.044 0.000 2.336 691 E HA 0.496 4.845 4.350 -0.001 0.000 0.267 691 E C -1.656 175.045 176.600 0.168 0.000 0.906 691 E CA -0.800 55.615 56.400 0.024 0.000 0.781 691 E CB 2.425 32.191 29.700 0.112 0.000 1.261 691 E HN 0.724 nan 8.360 nan 0.000 0.436 692 Y N 2.664 122.969 120.300 0.010 0.000 2.650 692 Y HA 0.291 4.840 4.550 -0.001 0.000 0.343 692 Y C 0.041 175.921 175.900 -0.034 0.000 1.078 692 Y CA -0.645 57.451 58.100 -0.007 0.000 1.356 692 Y CB 0.394 38.711 38.460 -0.238 0.000 1.204 692 Y HN 0.221 nan 8.280 nan 0.000 0.508 693 I N 5.108 125.788 120.570 0.183 0.000 2.297 693 I HA 0.035 4.204 4.170 -0.001 0.000 0.291 693 I C 0.257 176.471 176.117 0.161 0.000 1.033 693 I CA -0.617 60.740 61.300 0.095 0.000 1.253 693 I CB 0.421 38.408 38.000 -0.021 0.000 1.396 693 I HN 0.633 nan 8.210 nan 0.000 0.476 694 D N 6.071 126.568 120.400 0.161 0.000 2.376 694 D HA 0.131 4.771 4.640 -0.001 0.000 0.268 694 D C 1.051 177.459 176.300 0.179 0.000 1.252 694 D CA -0.372 53.746 54.000 0.197 0.000 1.041 694 D CB 0.714 41.616 40.800 0.170 0.000 1.109 694 D HN 0.425 nan 8.370 nan 0.000 0.552 695 A N -0.818 122.117 122.820 0.192 0.000 1.930 695 A HA -0.106 4.213 4.320 -0.001 0.000 0.215 695 A C 2.062 179.786 177.584 0.233 0.000 1.176 695 A CA 1.701 53.884 52.037 0.242 0.000 0.632 695 A CB -0.855 18.334 19.000 0.314 0.000 0.819 695 A HN 0.613 nan 8.150 nan 0.000 0.445 696 E N 0.356 120.655 120.200 0.165 0.000 2.038 696 E HA -0.223 4.127 4.350 -0.001 0.000 0.195 696 E C 1.928 178.613 176.600 0.141 0.000 1.000 696 E CA 1.922 58.402 56.400 0.133 0.000 0.803 696 E CB -0.251 29.522 29.700 0.123 0.000 0.750 696 E HN 0.682 nan 8.360 nan 0.000 0.448 697 E N -0.166 120.112 120.200 0.129 0.000 2.150 697 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 697 E C 1.921 178.570 176.600 0.081 0.000 0.985 697 E CA 0.868 57.326 56.400 0.096 0.000 0.814 697 E CB -0.089 29.656 29.700 0.074 0.000 0.752 697 E HN 0.354 nan 8.360 nan 0.000 0.466 698 E N 0.449 120.705 120.200 0.093 0.000 2.219 698 E HA -0.257 4.092 4.350 -0.001 0.000 0.198 698 E C 1.803 178.454 176.600 0.086 0.000 0.998 698 E CA 0.960 57.407 56.400 0.078 0.000 0.818 698 E CB 0.132 29.904 29.700 0.120 0.000 0.741 698 E HN 0.170 nan 8.360 nan 0.000 0.477 699 E N 0.347 120.621 120.200 0.124 0.000 2.058 699 E HA -0.144 4.205 4.350 -0.001 0.000 0.194 699 E C 1.340 177.992 176.600 0.087 0.000 0.997 699 E CA 1.427 57.903 56.400 0.126 0.000 0.801 699 E CB -0.163 29.634 29.700 0.162 0.000 0.746 699 E HN 0.247 nan 8.360 nan 0.000 0.450 700 S N 0.547 116.296 115.700 0.081 0.000 2.738 700 S HA 0.437 4.906 4.470 -0.001 0.000 0.227 700 S C 0.568 175.214 174.600 0.076 0.000 1.311 700 S CA -0.626 57.617 58.200 0.072 0.000 1.249 700 S CB -0.988 62.255 63.200 0.072 0.000 1.030 700 S HN 0.290 nan 8.310 nan 0.000 0.512 701 I N -2.284 118.331 120.570 0.075 0.000 3.149 701 I HA 0.755 4.924 4.170 -0.001 0.000 0.310 701 I C -2.199 173.977 176.117 0.098 0.000 1.343 701 I CA -1.564 59.799 61.300 0.106 0.000 0.955 701 I CB 1.577 39.638 38.000 0.102 0.000 1.309 701 I HN 0.207 nan 8.210 nan 0.000 0.478 702 L N 3.265 124.576 121.223 0.146 0.000 2.323 702 L HA 0.791 5.131 4.340 -0.001 0.000 0.265 702 L C -1.343 175.666 176.870 0.233 0.000 1.012 702 L CA -0.663 54.267 54.840 0.151 0.000 0.820 702 L CB 1.888 44.020 42.059 0.122 0.000 1.334 702 L HN 0.647 nan 8.230 nan 0.000 0.427 703 I N 2.101 122.807 120.570 0.227 0.000 2.802 703 I HA 0.685 4.854 4.170 -0.001 0.000 0.298 703 I C -0.684 175.486 176.117 0.088 0.000 1.176 703 I CA -0.942 60.462 61.300 0.174 0.000 1.025 703 I CB 2.092 40.130 38.000 0.064 0.000 1.243 703 I HN 0.758 nan 8.210 nan 0.000 0.424 704 A N 4.100 126.858 122.820 -0.103 0.000 2.306 704 A HA 0.591 4.910 4.320 -0.001 0.000 0.314 704 A C 0.385 177.838 177.584 -0.218 0.000 1.164 704 A CA -0.437 51.353 52.037 -0.411 0.000 0.822 704 A CB 1.285 19.887 19.000 -0.664 0.000 1.130 704 A HN 0.802 nan 8.150 nan 0.000 0.496 705 M N 0.841 120.307 119.600 -0.223 0.000 2.074 705 M HA 0.011 4.490 4.480 -0.001 0.000 0.258 705 M C 0.849 177.045 176.300 -0.173 0.000 1.083 705 M CA 1.927 57.122 55.300 -0.174 0.000 1.128 705 M CB -0.309 32.185 32.600 -0.178 0.000 1.301 705 M HN 0.748 nan 8.290 nan 0.000 0.417 706 Q N 0.411 120.105 119.800 -0.175 0.000 2.256 706 Q HA 0.246 4.586 4.340 -0.001 0.000 0.257 706 Q C -1.841 174.088 176.000 -0.118 0.000 0.936 706 Q CA -1.871 53.853 55.803 -0.132 0.000 0.903 706 Q CB 1.317 29.988 28.738 -0.111 0.000 1.263 706 Q HN 0.193 nan 8.270 nan 0.000 0.440 707 P HA -0.259 nan 4.420 nan 0.000 0.216 707 P C 0.072 177.343 177.300 -0.048 0.000 1.150 707 P CA 1.537 64.626 63.100 -0.019 0.000 0.837 707 P CB 0.479 32.217 31.700 0.063 0.000 0.786 708 E N -0.038 120.134 120.200 -0.046 0.000 2.928 708 E HA -0.053 4.297 4.350 -0.001 0.000 0.352 708 E C 1.568 178.100 176.600 -0.112 0.000 0.523 708 E CA -0.410 55.958 56.400 -0.053 0.000 2.011 708 E CB -1.213 28.470 29.700 -0.027 0.000 1.898 708 E HN -0.147 nan 8.360 nan 0.000 0.516 709 D N 0.734 121.061 120.400 -0.122 0.000 7.136 709 D HA -0.240 4.399 4.640 -0.001 0.000 0.223 709 D C 1.344 177.456 176.300 -0.313 0.000 1.984 709 D CA 1.804 55.690 54.000 -0.190 0.000 0.688 709 D CB -0.317 40.408 40.800 -0.124 0.000 0.682 709 D HN 0.279 nan 8.370 nan 0.000 0.940 710 L N 0.530 121.615 121.223 -0.231 0.000 2.998 710 L HA 0.147 4.486 4.340 -0.001 0.000 0.234 710 L C 1.254 178.034 176.870 -0.150 0.000 1.350 710 L CA 0.038 54.754 54.840 -0.207 0.000 1.202 710 L CB 0.177 42.051 42.059 -0.308 0.000 1.583 710 L HN -0.034 nan 8.230 nan 0.000 0.456 711 E N -0.592 119.548 120.200 -0.100 0.000 3.383 711 E HA 0.158 4.507 4.350 -0.001 0.000 0.256 711 E C -1.778 174.887 176.600 0.107 0.000 1.197 711 E CA -0.061 56.396 56.400 0.096 0.000 1.851 711 E CB -0.295 29.458 29.700 0.087 0.000 2.128 711 E HN 0.256 nan 8.360 nan 0.000 0.951 712 P HA 0.117 nan 4.420 nan 0.000 0.281 712 P C -0.166 177.100 177.300 -0.056 0.000 1.274 712 P CA 0.196 63.240 63.100 -0.093 0.000 0.794 712 P CB 0.480 32.134 31.700 -0.075 0.000 1.201 713 A N -0.718 122.065 122.820 -0.061 0.000 2.257 713 A HA 0.329 4.649 4.320 -0.001 0.000 0.290 713 A C 0.038 177.687 177.584 0.108 0.000 1.201 713 A CA -0.378 51.671 52.037 0.020 0.000 0.863 713 A CB 0.016 18.995 19.000 -0.035 0.000 1.256 713 A HN 0.627 nan 8.150 nan 0.000 0.506 714 E N -0.584 119.673 120.200 0.095 0.000 2.235 714 E HA 0.540 4.889 4.350 -0.001 0.000 0.252 714 E C -0.521 176.105 176.600 0.044 0.000 0.886 714 E CA -0.536 55.919 56.400 0.091 0.000 0.767 714 E CB 1.188 30.937 29.700 0.080 0.000 1.205 714 E HN 0.840 nan 8.360 nan 0.000 0.421 723 V N 3.068 122.996 119.914 0.023 0.000 2.417 723 V HA 0.259 4.378 4.120 -0.001 0.000 0.291 723 V C 0.055 176.164 176.094 0.025 0.000 1.024 723 V CA -0.837 61.477 62.300 0.025 0.000 0.861 723 V CB 2.160 33.998 31.823 0.026 0.000 0.985 723 V HN 0.021 nan 8.190 nan 0.000 0.436 724 D N 6.799 127.216 120.400 0.027 0.000 2.648 724 D HA -0.003 4.636 4.640 -0.001 0.000 0.229 724 D C -1.329 174.988 176.300 0.027 0.000 1.119 724 D CA -0.200 53.817 54.000 0.028 0.000 0.850 724 D CB 1.578 42.398 40.800 0.033 0.000 1.169 724 D HN 0.424 nan 8.370 nan 0.000 0.489 725 P HA 0.106 nan 4.420 nan 0.000 0.257 725 P C 0.126 177.440 177.300 0.024 0.000 1.281 725 P CA 0.110 63.224 63.100 0.023 0.000 0.826 725 P CB 0.666 32.377 31.700 0.019 0.000 1.237 726 A N -0.172 122.665 122.820 0.028 0.000 1.997 726 A HA 0.166 4.485 4.320 -0.001 0.000 0.198 726 A C 1.303 178.908 177.584 0.036 0.000 1.449 726 A CA 0.215 52.270 52.037 0.029 0.000 0.908 726 A CB -0.092 18.925 19.000 0.027 0.000 0.984 726 A HN 0.023 nan 8.150 nan 0.000 0.487 727 K N 0.760 121.185 120.400 0.041 0.000 2.191 727 K HA 0.099 4.418 4.320 -0.001 0.000 0.244 727 K C 0.804 177.433 176.600 0.049 0.000 1.083 727 K CA 0.320 56.638 56.287 0.051 0.000 0.800 727 K CB 0.127 32.658 32.500 0.052 0.000 1.088 727 K HN 0.611 nan 8.250 nan 0.000 0.525 728 R N -0.069 120.463 120.500 0.054 0.000 2.542 728 R HA 0.382 4.722 4.340 -0.001 0.000 0.227 728 R C -0.027 176.295 176.300 0.037 0.000 1.257 728 R CA -0.477 55.650 56.100 0.045 0.000 1.053 728 R CB 0.129 30.457 30.300 0.048 0.000 1.463 728 R HN 0.419 nan 8.270 nan 0.000 0.550 729 I N 1.077 121.666 120.570 0.032 0.000 2.583 729 I HA 0.318 4.488 4.170 -0.001 0.000 0.276 729 I C -0.475 175.656 176.117 0.023 0.000 1.089 729 I CA -0.554 60.763 61.300 0.027 0.000 1.103 729 I CB 1.525 39.540 38.000 0.026 0.000 1.209 729 I HN 0.495 nan 8.210 nan 0.000 0.484 730 R N 3.271 123.783 120.500 0.020 0.000 2.390 730 R HA 0.422 4.761 4.340 -0.001 0.000 0.291 730 R C 0.637 176.946 176.300 0.015 0.000 1.070 730 R CA -0.460 55.646 56.100 0.010 0.000 1.014 730 R CB 1.733 32.033 30.300 0.000 0.000 1.007 730 R HN 0.307 nan 8.270 nan 0.000 0.466 731 V N 1.303 121.225 119.914 0.014 0.000 2.747 731 V HA -0.130 3.990 4.120 -0.001 0.000 0.147 731 V C 0.788 176.891 176.094 0.015 0.000 0.734 731 V CA 0.780 63.094 62.300 0.024 0.000 1.291 731 V CB -0.030 31.812 31.823 0.032 0.000 0.874 731 V HN 0.787 nan 8.190 nan 0.000 0.384 732 S N -1.006 114.689 115.700 -0.009 0.000 2.806 732 S HA 0.478 4.947 4.470 -0.001 0.000 0.306 732 S C -0.351 174.256 174.600 0.011 0.000 1.167 732 S CA -0.380 57.769 58.200 -0.086 0.000 0.847 732 S CB 1.270 64.125 63.200 -0.574 0.000 1.216 732 S HN 0.846 nan 8.310 nan 0.000 0.532 733 H N 0.188 119.146 119.070 -0.187 0.000 2.507 733 H HA 0.314 4.870 4.556 -0.001 0.000 0.281 733 H C -0.646 174.727 175.328 0.075 0.000 1.160 733 H CA -0.446 55.632 56.048 0.049 0.000 0.981 733 H CB -1.026 28.778 29.762 0.071 0.000 1.665 733 H HN 0.454 nan 8.280 nan 0.000 0.554 734 H N 2.063 121.141 119.070 0.014 0.000 3.792 734 H HA 0.490 5.045 4.556 -0.001 0.000 0.229 734 H C 0.105 175.393 175.328 -0.068 0.000 1.632 734 H CA 0.545 56.556 56.048 -0.062 0.000 1.522 734 H CB -0.702 29.024 29.762 -0.060 0.000 1.822 734 H HN 0.733 nan 8.280 nan 0.000 0.672 735 A N 0.931 123.743 122.820 -0.013 0.000 2.599 735 A HA 0.280 4.599 4.320 -0.001 0.000 0.306 735 A C -0.204 177.146 177.584 -0.390 0.000 1.014 735 A CA -0.778 51.100 52.037 -0.264 0.000 0.784 735 A CB 0.523 19.234 19.000 -0.482 0.000 1.229 735 A HN 0.248 nan 8.150 nan 0.000 0.398 736 T N 2.566 116.958 114.554 -0.270 0.000 3.427 736 T HA 0.493 4.842 4.350 -0.001 0.000 0.306 736 T C 0.503 175.099 174.700 -0.174 0.000 1.733 736 T CA 0.547 62.562 62.100 -0.142 0.000 1.599 736 T CB -0.001 68.865 68.868 -0.002 0.000 0.964 736 T HN 0.820 nan 8.240 nan 0.000 0.701 737 T N -0.765 113.583 114.554 -0.344 0.000 3.074 737 T HA 0.221 4.570 4.350 -0.001 0.000 0.258 737 T C 0.584 175.233 174.700 -0.085 0.000 0.891 737 T CA -0.479 61.510 62.100 -0.185 0.000 0.867 737 T CB -0.206 68.551 68.868 -0.186 0.000 1.261 737 T HN 0.467 nan 8.240 nan 0.000 0.537 738 F N 4.272 124.248 119.950 0.043 0.000 2.117 738 F HA -0.138 4.388 4.527 -0.001 0.000 0.413 738 F C 2.175 177.990 175.800 0.026 0.000 0.938 738 F CA 0.356 58.383 58.000 0.045 0.000 0.946 738 F CB -0.313 38.716 39.000 0.047 0.000 0.763 738 F HN 0.244 nan 8.300 nan 0.000 0.493 739 T N -0.463 114.225 114.554 0.223 0.000 2.851 739 T HA -0.023 4.326 4.350 -0.001 0.000 0.262 739 T C 0.326 174.943 174.700 -0.138 0.000 1.043 739 T CA 0.966 63.110 62.100 0.073 0.000 1.140 739 T CB -0.115 68.883 68.868 0.217 0.000 0.872 739 T HN 0.543 nan 8.240 nan 0.000 0.446 740 H N -1.191 117.959 119.070 0.132 0.000 2.908 740 H HA 0.762 5.317 4.556 -0.001 0.000 0.350 740 H C -1.179 174.204 175.328 0.092 0.000 1.217 740 H CA -1.247 54.868 56.048 0.111 0.000 1.168 740 H CB 1.622 31.442 29.762 0.096 0.000 1.891 740 H HN 0.342 nan 8.280 nan 0.000 0.566 741 C N 1.036 120.473 119.300 0.228 0.000 2.782 741 C HA 0.375 4.834 4.460 -0.001 0.000 0.328 741 C C -0.512 174.510 174.990 0.054 0.000 1.145 741 C CA -0.518 58.564 59.018 0.107 0.000 1.358 741 C CB 0.602 28.394 27.740 0.086 0.000 1.841 741 C HN 0.942 nan 8.230 nan 0.000 0.477 742 E N 3.653 123.837 120.200 -0.027 0.000 2.417 742 E HA 0.099 4.448 4.350 -0.001 0.000 0.261 742 E C 1.376 177.824 176.600 -0.253 0.000 1.000 742 E CA 0.030 56.365 56.400 -0.108 0.000 0.919 742 E CB 0.433 30.108 29.700 -0.041 0.000 0.955 742 E HN 0.514 nan 8.360 nan 0.000 0.455 743 I N 2.445 122.739 120.570 -0.460 0.000 2.087 743 I HA -0.224 3.946 4.170 -0.001 0.000 0.240 743 I C 0.927 176.880 176.117 -0.274 0.000 1.054 743 I CA 1.786 62.719 61.300 -0.611 0.000 1.311 743 I CB -1.199 36.484 38.000 -0.528 0.000 1.024 743 I HN 0.615 nan 8.210 nan 0.000 0.402 744 H N 0.035 118.909 119.070 -0.327 0.000 3.079 744 H HA 0.263 4.818 4.556 -0.001 0.000 0.356 744 H C -2.040 173.209 175.328 -0.132 0.000 1.221 744 H CA -1.042 54.834 56.048 -0.287 0.000 1.185 744 H CB 2.421 31.861 29.762 -0.535 0.000 1.882 744 H HN -0.276 nan 8.280 nan 0.000 0.543 745 P HA -0.138 nan 4.420 nan 0.000 0.216 745 P C 1.029 178.423 177.300 0.156 0.000 1.153 745 P CA 1.610 64.622 63.100 -0.147 0.000 0.844 745 P CB 0.074 31.485 31.700 -0.483 0.000 0.787 746 S N -1.328 114.664 115.700 0.487 0.000 2.609 746 S HA -0.065 4.404 4.470 -0.001 0.000 0.250 746 S C 1.427 176.184 174.600 0.261 0.000 0.974 746 S CA 0.664 59.174 58.200 0.517 0.000 0.962 746 S CB -1.084 62.482 63.200 0.610 0.000 0.756 746 S HN -0.050 nan 8.310 nan 0.000 0.539 747 M N 1.063 120.748 119.600 0.141 0.000 2.431 747 M HA 0.373 4.853 4.480 -0.001 0.000 0.237 747 M C 1.394 177.659 176.300 -0.059 0.000 1.130 747 M CA -0.179 55.157 55.300 0.059 0.000 1.002 747 M CB -0.800 31.818 32.600 0.030 0.000 1.524 747 M HN 0.560 nan 8.290 nan 0.000 0.482 748 I N -2.295 118.179 120.570 -0.159 0.000 2.716 748 I HA -0.006 4.163 4.170 -0.001 0.000 0.259 748 I C 0.939 176.931 176.117 -0.208 0.000 1.172 748 I CA 0.203 61.288 61.300 -0.358 0.000 1.478 748 I CB -0.366 37.206 38.000 -0.713 0.000 1.104 748 I HN -0.008 nan 8.210 nan 0.000 0.439 749 L N 1.676 122.840 121.223 -0.099 0.000 2.476 749 L HA 0.436 4.775 4.340 -0.001 0.000 0.255 749 L C 0.682 177.520 176.870 -0.052 0.000 1.218 749 L CA -0.079 54.720 54.840 -0.069 0.000 0.819 749 L CB 0.202 42.239 42.059 -0.037 0.000 1.119 749 L HN 0.194 nan 8.230 nan 0.000 0.485 750 G N -0.943 107.823 108.800 -0.056 0.000 2.533 750 G HA2 0.470 4.429 3.960 -0.001 0.000 0.304 750 G HA3 0.470 4.429 3.960 -0.001 0.000 0.304 750 G C 0.686 175.554 174.900 -0.053 0.000 1.263 750 G CA -0.450 44.622 45.100 -0.047 0.000 0.964 750 G HN 0.473 nan 8.290 nan 0.000 0.479 751 V N 1.445 121.328 119.914 -0.053 0.000 2.308 751 V HA -0.432 3.687 4.120 -0.001 0.000 0.251 751 V C 3.269 179.316 176.094 -0.078 0.000 1.055 751 V CA 3.393 65.652 62.300 -0.067 0.000 1.105 751 V CB -1.801 29.983 31.823 -0.065 0.000 0.785 751 V HN 1.155 nan 8.190 nan 0.000 0.479 752 A N 0.667 123.446 122.820 -0.068 0.000 1.863 752 A HA -0.231 4.089 4.320 -0.001 0.000 0.218 752 A C 2.492 180.020 177.584 -0.094 0.000 1.233 752 A CA 4.068 56.062 52.037 -0.072 0.000 0.655 752 A CB -1.456 17.512 19.000 -0.054 0.000 0.839 752 A HN 1.225 nan 8.150 nan 0.000 0.454 753 A N -0.829 121.941 122.820 -0.083 0.000 1.958 753 A HA -0.135 4.184 4.320 -0.001 0.000 0.221 753 A C 2.266 179.782 177.584 -0.113 0.000 1.178 753 A CA 2.237 54.219 52.037 -0.092 0.000 0.642 753 A CB -1.043 17.910 19.000 -0.078 0.000 0.816 753 A HN 0.580 nan 8.150 nan 0.000 0.453 754 S N -0.626 115.011 115.700 -0.106 0.000 2.584 754 S HA -0.002 4.467 4.470 -0.001 0.000 0.240 754 S C 1.338 175.824 174.600 -0.190 0.000 0.975 754 S CA 1.210 59.343 58.200 -0.112 0.000 0.949 754 S CB -0.439 62.715 63.200 -0.077 0.000 0.761 754 S HN 0.616 nan 8.310 nan 0.000 0.536 755 I N 0.212 120.642 120.570 -0.235 0.000 3.526 755 I HA 0.179 4.348 4.170 -0.001 0.000 0.294 755 I C 0.267 176.216 176.117 -0.279 0.000 1.229 755 I CA 0.097 61.185 61.300 -0.352 0.000 1.408 755 I CB 0.035 37.794 38.000 -0.401 0.000 1.127 755 I HN 0.128 nan 8.210 nan 0.000 0.439 756 I N 4.895 125.331 120.570 -0.222 0.000 2.668 756 I HA 0.029 4.198 4.170 -0.001 0.000 0.285 756 I C -2.001 173.987 176.117 -0.215 0.000 1.168 756 I CA -1.312 59.848 61.300 -0.233 0.000 1.424 756 I CB -0.182 37.705 38.000 -0.187 0.000 1.377 756 I HN -0.109 nan 8.210 nan 0.000 0.560 757 P HA 0.121 nan 4.420 nan 0.000 0.282 757 P C 0.077 177.351 177.300 -0.045 0.000 1.249 757 P CA -0.309 62.634 63.100 -0.263 0.000 0.806 757 P CB 0.558 32.093 31.700 -0.275 0.000 0.984 758 F N -0.575 119.420 119.950 0.076 0.000 3.054 758 F HA -0.206 4.320 4.527 -0.001 0.000 0.264 758 F C -0.615 175.276 175.800 0.151 0.000 0.956 758 F CA -0.276 57.827 58.000 0.172 0.000 0.882 758 F CB -1.788 37.328 39.000 0.193 0.000 0.841 758 F HN 0.368 nan 8.300 nan 0.000 0.720 759 P HA -0.236 nan 4.420 nan 0.000 0.218 759 P C 0.716 178.028 177.300 0.020 0.000 1.147 759 P CA 2.187 65.314 63.100 0.045 0.000 0.827 759 P CB -0.185 31.469 31.700 -0.076 0.000 0.778 760 D N -1.398 118.977 120.400 -0.041 0.000 2.663 760 D HA -0.072 4.568 4.640 -0.001 0.000 0.243 760 D C 0.476 176.598 176.300 -0.296 0.000 1.218 760 D CA -0.003 53.903 54.000 -0.157 0.000 0.846 760 D CB -0.866 39.790 40.800 -0.241 0.000 1.014 760 D HN 0.381 nan 8.370 nan 0.000 0.476 761 H N -0.392 118.719 119.070 0.068 0.000 3.334 761 H HA 0.200 4.755 4.556 -0.001 0.000 0.256 761 H C -0.437 174.924 175.328 0.056 0.000 1.162 761 H CA -0.457 55.624 56.048 0.055 0.000 1.030 761 H CB 0.518 30.312 29.762 0.054 0.000 2.151 761 H HN 0.068 nan 8.280 nan 0.000 0.742 762 N N 1.197 119.978 118.700 0.135 0.000 2.240 762 N HA 0.081 4.821 4.740 -0.001 0.000 0.302 762 N C -0.206 175.324 175.510 0.032 0.000 1.106 762 N CA -0.560 52.544 53.050 0.090 0.000 0.778 762 N CB 2.465 41.019 38.487 0.112 0.000 1.431 762 N HN 0.214 nan 8.380 nan 0.000 0.479 763 Q N 0.614 120.417 119.800 0.004 0.000 2.263 763 Q HA -0.024 4.315 4.340 -0.001 0.000 0.289 763 Q C 1.052 177.030 176.000 -0.037 0.000 1.061 763 Q CA 0.388 56.177 55.803 -0.023 0.000 0.927 763 Q CB 0.543 29.253 28.738 -0.048 0.000 1.154 763 Q HN 0.675 nan 8.270 nan 0.000 0.378 764 S N 5.011 120.695 115.700 -0.027 0.000 2.408 764 S HA -0.176 4.293 4.470 -0.001 0.000 0.241 764 S C -0.845 173.720 174.600 -0.059 0.000 1.080 764 S CA 2.013 60.196 58.200 -0.028 0.000 1.109 764 S CB -0.709 62.481 63.200 -0.015 0.000 0.966 764 S HN 0.827 nan 8.310 nan 0.000 0.449 765 P HA -0.060 nan 4.420 nan 0.000 0.216 765 P C 1.160 178.288 177.300 -0.287 0.000 1.153 765 P CA 0.900 63.897 63.100 -0.171 0.000 0.844 765 P CB -0.253 31.326 31.700 -0.202 0.000 0.787 766 R N -0.033 120.299 120.500 -0.281 0.000 2.244 766 R HA -0.116 4.223 4.340 -0.001 0.000 0.252 766 R C 1.806 178.032 176.300 -0.124 0.000 1.177 766 R CA 0.856 56.799 56.100 -0.261 0.000 1.004 766 R CB -1.245 28.989 30.300 -0.111 0.000 0.873 766 R HN 0.362 nan 8.270 nan 0.000 0.469 767 N N -0.656 117.996 118.700 -0.080 0.000 2.251 767 N HA -0.048 4.691 4.740 -0.001 0.000 0.181 767 N C 1.467 176.971 175.510 -0.009 0.000 1.019 767 N CA 1.341 54.368 53.050 -0.038 0.000 0.862 767 N CB -0.314 38.151 38.487 -0.036 0.000 0.992 767 N HN 0.144 nan 8.380 nan 0.000 0.429 768 T N 0.829 115.380 114.554 -0.005 0.000 2.778 768 T HA -0.121 4.228 4.350 -0.001 0.000 0.269 768 T C 1.749 176.571 174.700 0.204 0.000 1.050 768 T CA 1.112 63.254 62.100 0.070 0.000 1.137 768 T CB -0.364 68.552 68.868 0.081 0.000 0.860 768 T HN 0.394 nan 8.240 nan 0.000 0.468 769 Y N 0.915 121.203 120.300 -0.021 0.000 2.153 769 Y HA -0.112 4.437 4.550 -0.001 0.000 0.289 769 Y C 2.997 178.882 175.900 -0.025 0.000 1.119 769 Y CA 0.500 58.588 58.100 -0.019 0.000 1.116 769 Y CB -0.271 38.184 38.460 -0.008 0.000 1.004 769 Y HN 0.102 nan 8.280 nan 0.000 0.501 770 Q N 0.982 120.876 119.800 0.156 0.000 2.458 770 Q HA -0.145 4.194 4.340 -0.001 0.000 0.215 770 Q C 1.065 177.073 176.000 0.013 0.000 0.989 770 Q CA 1.440 57.273 55.803 0.050 0.000 0.895 770 Q CB -0.353 28.374 28.738 -0.019 0.000 0.934 770 Q HN 0.136 nan 8.270 nan 0.000 0.475 771 S N -1.125 114.590 115.700 0.025 0.000 2.618 771 S HA 0.523 4.992 4.470 -0.001 0.000 0.242 771 S C 0.497 175.097 174.600 0.000 0.000 0.972 771 S CA 0.207 58.405 58.200 -0.003 0.000 1.004 771 S CB 0.641 63.836 63.200 -0.009 0.000 0.778 771 S HN 0.476 nan 8.310 nan 0.000 0.459 772 A N 0.022 122.846 122.820 0.007 0.000 2.574 772 A HA 0.400 4.719 4.320 -0.001 0.000 0.170 772 A C 1.343 178.916 177.584 -0.018 0.000 1.617 772 A CA -0.138 51.892 52.037 -0.013 0.000 1.189 772 A CB -0.040 18.945 19.000 -0.025 0.000 1.496 772 A HN 0.401 nan 8.150 nan 0.000 0.505 773 M N -0.288 119.310 119.600 -0.002 0.000 2.447 773 M HA 0.100 4.579 4.480 -0.001 0.000 0.266 773 M C 2.060 178.357 176.300 -0.004 0.000 1.120 773 M CA 1.219 56.515 55.300 -0.008 0.000 1.166 773 M CB -0.112 32.496 32.600 0.014 0.000 1.349 773 M HN 0.458 nan 8.290 nan 0.000 0.463 774 G N 0.990 109.794 108.800 0.007 0.000 2.564 774 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.216 774 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.216 774 G C 1.458 176.381 174.900 0.038 0.000 1.124 774 G CA 0.732 45.846 45.100 0.025 0.000 0.764 774 G HN 0.425 nan 8.290 nan 0.000 0.550 775 K N -0.746 119.666 120.400 0.021 0.000 2.358 775 K HA 0.161 4.480 4.320 -0.001 0.000 0.197 775 K C 1.598 178.196 176.600 -0.003 0.000 1.025 775 K CA 0.045 56.366 56.287 0.057 0.000 1.104 775 K CB 0.535 33.062 32.500 0.045 0.000 0.855 775 K HN 0.249 nan 8.250 nan 0.000 0.531 776 Q N 0.101 119.853 119.800 -0.080 0.000 2.179 776 Q HA 0.252 4.591 4.340 -0.001 0.000 0.213 776 Q C -0.230 175.668 176.000 -0.170 0.000 0.833 776 Q CA -0.365 55.315 55.803 -0.205 0.000 0.990 776 Q CB 1.375 30.014 28.738 -0.165 0.000 1.132 776 Q HN 0.157 nan 8.270 nan 0.000 0.493 777 A N 0.713 123.489 122.820 -0.072 0.000 2.239 777 A HA 0.706 5.026 4.320 -0.001 0.000 0.303 777 A C -0.241 177.333 177.584 -0.017 0.000 1.114 777 A CA -0.317 51.703 52.037 -0.028 0.000 0.871 777 A CB 0.680 19.700 19.000 0.033 0.000 1.201 777 A HN 0.225 nan 8.150 nan 0.000 0.506 778 M N -0.414 119.199 119.600 0.021 0.000 2.465 778 M HA 0.570 5.049 4.480 -0.001 0.000 0.316 778 M C 0.520 176.870 176.300 0.082 0.000 1.121 778 M CA -0.047 55.279 55.300 0.042 0.000 0.934 778 M CB 2.443 35.059 32.600 0.027 0.000 1.692 778 M HN 0.963 nan 8.290 nan 0.000 0.444 779 G N 1.130 109.985 108.800 0.092 0.000 3.454 779 G HA2 0.534 4.494 3.960 -0.001 0.000 0.162 779 G HA3 0.534 4.494 3.960 -0.001 0.000 0.162 779 G C -1.519 173.404 174.900 0.040 0.000 1.223 779 G CA -0.239 44.901 45.100 0.067 0.000 1.394 779 G HN 0.482 nan 8.290 nan 0.000 0.709 780 V N 2.182 122.108 119.914 0.020 0.000 2.555 780 V HA 0.288 4.408 4.120 -0.001 0.000 0.283 780 V C 0.233 176.313 176.094 -0.022 0.000 1.020 780 V CA -0.485 61.774 62.300 -0.069 0.000 0.883 780 V CB 0.969 32.729 31.823 -0.104 0.000 1.030 780 V HN 0.767 nan 8.190 nan 0.000 0.448 781 F N 3.814 123.788 119.950 0.040 0.000 2.558 781 F HA 0.563 5.089 4.527 -0.002 0.000 0.298 781 F C 0.260 176.148 175.800 0.146 0.000 1.119 781 F CA 0.464 58.521 58.000 0.094 0.000 1.451 781 F CB 0.034 39.059 39.000 0.042 0.000 1.091 781 F HN 0.263 nan 8.300 nan 0.000 0.563 782 L N -0.902 120.051 121.223 -0.450 0.000 3.064 782 L HA 0.210 4.549 4.340 -0.001 0.000 0.282 782 L C 0.613 177.314 176.870 -0.281 0.000 1.045 782 L CA -0.038 54.662 54.840 -0.232 0.000 0.986 782 L CB 1.838 43.813 42.059 -0.140 0.000 1.571 782 L HN -0.008 nan 8.230 nan 0.000 0.377 783 T N -4.194 110.253 114.554 -0.179 0.000 3.010 783 T HA 0.033 4.383 4.350 -0.001 0.000 0.257 783 T C 0.715 175.224 174.700 -0.318 0.000 1.020 783 T CA 0.177 62.159 62.100 -0.196 0.000 0.938 783 T CB -0.223 68.577 68.868 -0.115 0.000 1.049 783 T HN 0.606 nan 8.240 nan 0.000 0.522 784 N N 1.403 119.943 118.700 -0.266 0.000 2.322 784 N HA -0.002 4.738 4.740 -0.001 0.000 0.216 784 N C 1.221 176.604 175.510 -0.212 0.000 1.144 784 N CA -0.356 52.544 53.050 -0.250 0.000 0.830 784 N CB -0.644 37.745 38.487 -0.164 0.000 1.034 784 N HN 0.672 nan 8.380 nan 0.000 0.484 785 Y N 0.273 120.405 120.300 -0.280 0.000 2.352 785 Y HA 0.092 4.641 4.550 -0.001 0.000 0.292 785 Y C 1.613 177.384 175.900 -0.216 0.000 1.136 785 Y CA 0.683 58.614 58.100 -0.281 0.000 1.227 785 Y CB -1.059 37.094 38.460 -0.511 0.000 0.991 785 Y HN 0.012 nan 8.280 nan 0.000 0.545 786 N N 0.373 118.726 118.700 -0.578 0.000 2.609 786 N HA -0.066 4.673 4.740 -0.001 0.000 0.190 786 N C 0.110 175.570 175.510 -0.084 0.000 1.157 786 N CA 1.025 53.911 53.050 -0.273 0.000 0.918 786 N CB -0.022 38.241 38.487 -0.373 0.000 0.978 786 N HN 0.311 nan 8.380 nan 0.000 0.448 787 V N -0.232 119.636 119.914 -0.077 0.000 2.991 787 V HA 0.317 4.437 4.120 -0.001 0.000 0.355 787 V C -0.081 176.031 176.094 0.030 0.000 1.384 787 V CA -0.321 61.967 62.300 -0.020 0.000 1.171 787 V CB -0.078 31.716 31.823 -0.048 0.000 1.190 787 V HN 0.089 nan 8.190 nan 0.000 0.540 788 R N 0.936 121.478 120.500 0.071 0.000 2.480 788 R HA 0.574 4.913 4.340 -0.001 0.000 0.306 788 R C -0.430 175.938 176.300 0.113 0.000 0.958 788 R CA -0.641 55.526 56.100 0.111 0.000 0.861 788 R CB 1.850 32.267 30.300 0.194 0.000 1.171 788 R HN 0.086 nan 8.270 nan 0.000 0.445 789 M N 3.176 122.832 119.600 0.093 0.000 3.242 789 M HA 0.108 4.587 4.480 -0.001 0.000 0.250 789 M C -0.729 175.607 176.300 0.059 0.000 1.239 789 M CA -0.617 54.730 55.300 0.079 0.000 1.205 789 M CB -0.781 31.858 32.600 0.065 0.000 1.189 789 M HN 0.466 nan 8.290 nan 0.000 0.531 790 D N 0.336 120.771 120.400 0.058 0.000 2.256 790 D HA 0.211 4.851 4.640 -0.001 0.000 0.250 790 D C 0.217 176.516 176.300 -0.000 0.000 1.093 790 D CA -0.376 53.633 54.000 0.014 0.000 0.882 790 D CB 0.482 41.262 40.800 -0.033 0.000 1.185 790 D HN 0.213 nan 8.370 nan 0.000 0.437 791 T N 0.237 114.776 114.554 -0.025 0.000 2.792 791 T HA 0.232 4.581 4.350 -0.001 0.000 0.286 791 T C 0.869 175.563 174.700 -0.010 0.000 0.970 791 T CA -0.729 61.340 62.100 -0.051 0.000 1.187 791 T CB -0.325 68.507 68.868 -0.060 0.000 0.915 791 T HN 0.625 nan 8.240 nan 0.000 0.529 792 M N 1.441 121.063 119.600 0.037 0.000 4.047 792 M HA -0.033 4.447 4.480 -0.001 0.000 0.157 792 M C -0.622 175.769 176.300 0.152 0.000 1.532 792 M CA 0.840 56.253 55.300 0.189 0.000 1.097 792 M CB -1.028 31.661 32.600 0.147 0.000 1.346 792 M HN 1.517 nan 8.290 nan 0.000 0.190 793 A N 4.917 127.911 122.820 0.291 0.000 2.573 793 A HA 0.690 5.009 4.320 -0.001 0.000 0.299 793 A C -1.490 176.263 177.584 0.282 0.000 1.060 793 A CA -0.894 51.242 52.037 0.164 0.000 0.736 793 A CB 1.335 20.393 19.000 0.097 0.000 1.280 793 A HN 0.756 nan 8.150 nan 0.000 0.401 794 N N 1.016 119.799 118.700 0.138 0.000 2.372 794 N HA 0.623 5.362 4.740 -0.001 0.000 0.285 794 N C -1.588 173.978 175.510 0.094 0.000 1.008 794 N CA -0.292 52.824 53.050 0.110 0.000 0.880 794 N CB 1.978 40.439 38.487 -0.044 0.000 1.239 794 N HN 0.460 nan 8.380 nan 0.000 0.484 795 I N 2.130 122.743 120.570 0.071 0.000 2.436 795 I HA 0.216 4.386 4.170 -0.001 0.000 0.289 795 I C -0.476 175.700 176.117 0.099 0.000 1.010 795 I CA -0.725 60.567 61.300 -0.014 0.000 1.098 795 I CB 1.715 39.548 38.000 -0.278 0.000 1.266 795 I HN 0.322 nan 8.210 nan 0.000 0.434 796 L N 8.299 129.583 121.223 0.102 0.000 2.363 796 L HA 0.225 4.564 4.340 -0.001 0.000 0.286 796 L C 0.685 177.692 176.870 0.228 0.000 1.106 796 L CA 0.358 55.290 54.840 0.154 0.000 0.859 796 L CB -0.656 41.487 42.059 0.141 0.000 1.223 796 L HN 0.519 nan 8.230 nan 0.000 0.446 797 Y N 5.002 125.327 120.300 0.042 0.000 2.066 797 Y HA -0.359 4.190 4.550 -0.002 0.000 0.235 797 Y C 0.645 176.719 175.900 0.291 0.000 1.262 797 Y CA 2.177 60.293 58.100 0.028 0.000 1.032 797 Y CB -0.830 37.461 38.460 -0.281 0.000 0.832 797 Y HN 0.528 nan 8.280 nan 0.000 0.520 798 Y N 0.737 121.149 120.300 0.187 0.000 2.842 798 Y HA 0.309 4.859 4.550 -0.001 0.000 0.334 798 Y C -2.214 173.697 175.900 0.019 0.000 1.019 798 Y CA -2.869 55.272 58.100 0.069 0.000 1.258 798 Y CB 0.717 39.204 38.460 0.045 0.000 1.106 798 Y HN -0.030 nan 8.280 nan 0.000 0.545 799 P HA 0.162 nan 4.420 nan 0.000 0.274 799 P C -0.983 176.340 177.300 0.039 0.000 1.231 799 P CA -0.230 62.916 63.100 0.077 0.000 0.790 799 P CB 0.901 32.615 31.700 0.022 0.000 0.951 800 Q N 0.618 120.447 119.800 0.048 0.000 2.305 800 Q HA 0.240 4.579 4.340 -0.001 0.000 0.271 800 Q C -0.556 175.402 176.000 -0.070 0.000 1.046 800 Q CA -1.058 54.746 55.803 0.002 0.000 0.798 800 Q CB 2.470 31.232 28.738 0.040 0.000 1.286 800 Q HN 0.392 nan 8.270 nan 0.000 0.435 801 K N 2.180 122.488 120.400 -0.154 0.000 2.379 801 K HA 0.284 4.603 4.320 -0.001 0.000 0.284 801 K C -2.287 174.115 176.600 -0.330 0.000 1.044 801 K CA -1.336 54.807 56.287 -0.239 0.000 0.974 801 K CB 0.197 32.590 32.500 -0.177 0.000 0.962 801 K HN 0.184 nan 8.250 nan 0.000 0.474 802 P HA -0.126 nan 4.420 nan 0.000 0.264 802 P C 0.597 177.696 177.300 -0.336 0.000 1.179 802 P CA 0.104 62.744 63.100 -0.767 0.000 0.763 802 P CB 0.723 31.869 31.700 -0.923 0.000 0.806 803 L N 2.144 123.220 121.223 -0.245 0.000 1.961 803 L HA -0.043 4.296 4.340 -0.001 0.000 0.210 803 L C 1.760 178.549 176.870 -0.135 0.000 1.072 803 L CA 1.754 56.510 54.840 -0.141 0.000 0.749 803 L CB -1.217 40.789 42.059 -0.090 0.000 0.889 803 L HN 0.505 nan 8.230 nan 0.000 0.432 804 G N -0.187 108.529 108.800 -0.139 0.000 2.378 804 G HA2 0.396 4.355 3.960 -0.001 0.000 0.255 804 G HA3 0.396 4.355 3.960 -0.001 0.000 0.255 804 G C -0.197 174.584 174.900 -0.200 0.000 1.270 804 G CA 0.159 45.164 45.100 -0.159 0.000 0.876 804 G HN 0.309 nan 8.290 nan 0.000 0.521 805 T N -1.385 113.047 114.554 -0.203 0.000 2.716 805 T HA 0.788 5.138 4.350 -0.001 0.000 0.286 805 T C -0.469 174.101 174.700 -0.217 0.000 1.052 805 T CA -0.795 61.185 62.100 -0.199 0.000 1.024 805 T CB 2.220 71.001 68.868 -0.147 0.000 1.349 805 T HN 0.395 nan 8.240 nan 0.000 0.525 806 T N 0.963 115.397 114.554 -0.200 0.000 2.921 806 T HA 0.396 4.745 4.350 -0.001 0.000 0.297 806 T C 1.052 175.631 174.700 -0.201 0.000 1.013 806 T CA -0.910 61.082 62.100 -0.181 0.000 0.990 806 T CB 1.864 70.631 68.868 -0.169 0.000 1.023 806 T HN 0.557 nan 8.240 nan 0.000 0.447 807 R N 1.731 122.057 120.500 -0.289 0.000 2.170 807 R HA -0.113 4.226 4.340 -0.001 0.000 0.242 807 R C 2.162 178.270 176.300 -0.320 0.000 1.145 807 R CA 1.269 57.046 56.100 -0.538 0.000 0.984 807 R CB -0.879 28.639 30.300 -1.304 0.000 0.869 807 R HN 0.703 nan 8.270 nan 0.000 0.455 808 A N 0.759 123.488 122.820 -0.152 0.000 2.067 808 A HA -0.070 4.249 4.320 -0.001 0.000 0.219 808 A C 2.195 179.825 177.584 0.076 0.000 1.158 808 A CA 0.912 52.976 52.037 0.044 0.000 0.661 808 A CB -0.336 18.688 19.000 0.039 0.000 0.801 808 A HN 0.191 nan 8.150 nan 0.000 0.452 809 M N -1.141 118.431 119.600 -0.048 0.000 2.175 809 M HA -0.149 4.331 4.480 -0.001 0.000 0.264 809 M C 2.084 178.365 176.300 -0.032 0.000 1.063 809 M CA 1.679 56.943 55.300 -0.059 0.000 1.119 809 M CB -0.347 32.191 32.600 -0.103 0.000 1.377 809 M HN 0.612 nan 8.290 nan 0.000 0.415 810 E N 0.302 120.419 120.200 -0.139 0.000 2.208 810 E HA -0.248 4.102 4.350 -0.001 0.000 0.202 810 E C 1.200 177.499 176.600 -0.502 0.000 1.014 810 E CA 1.762 57.934 56.400 -0.381 0.000 0.819 810 E CB 0.015 29.322 29.700 -0.655 0.000 0.735 810 E HN 0.630 nan 8.360 nan 0.000 0.469 811 Y N -0.934 119.300 120.300 -0.111 0.000 2.478 811 Y HA 0.181 4.730 4.550 -0.001 0.000 0.261 811 Y C 1.626 177.408 175.900 -0.198 0.000 1.127 811 Y CA 0.106 58.080 58.100 -0.211 0.000 1.288 811 Y CB 0.232 38.365 38.460 -0.545 0.000 1.084 811 Y HN -0.028 nan 8.280 nan 0.000 0.530 812 L N 0.415 121.651 121.223 0.023 0.000 2.611 812 L HA 0.097 4.436 4.340 -0.001 0.000 0.229 812 L C 0.117 177.116 176.870 0.216 0.000 1.137 812 L CA 0.008 54.898 54.840 0.084 0.000 0.901 812 L CB -0.130 41.952 42.059 0.039 0.000 1.098 812 L HN -0.017 nan 8.230 nan 0.000 0.456 813 K N -0.250 120.208 120.400 0.096 0.000 3.490 813 K HA -0.265 4.054 4.320 -0.001 0.000 0.273 813 K C 0.486 177.056 176.600 -0.050 0.000 0.916 813 K CA 0.584 56.853 56.287 -0.030 0.000 0.718 813 K CB -1.997 30.415 32.500 -0.146 0.000 1.477 813 K HN 0.187 nan 8.250 nan 0.000 0.452 814 F N 0.920 120.790 119.950 -0.134 0.000 2.188 814 F HA 0.037 4.563 4.527 -0.001 0.000 0.289 814 F C 2.094 177.798 175.800 -0.161 0.000 1.082 814 F CA 0.783 58.712 58.000 -0.118 0.000 1.282 814 F CB 0.059 39.012 39.000 -0.079 0.000 1.060 814 F HN 0.170 nan 8.300 nan 0.000 0.493 815 R N 0.094 120.550 120.500 -0.074 0.000 2.371 815 R HA -0.166 4.173 4.340 -0.001 0.000 0.226 815 R C 1.335 177.500 176.300 -0.225 0.000 1.132 815 R CA 1.243 57.247 56.100 -0.159 0.000 1.027 815 R CB -0.320 29.926 30.300 -0.091 0.000 0.848 815 R HN 0.322 nan 8.270 nan 0.000 0.479 816 E N -0.124 119.890 120.200 -0.310 0.000 2.201 816 E HA 0.144 4.493 4.350 -0.001 0.000 0.193 816 E C 0.082 176.382 176.600 -0.501 0.000 0.957 816 E CA 0.636 56.800 56.400 -0.394 0.000 0.858 816 E CB 0.610 29.948 29.700 -0.604 0.000 0.816 816 E HN 0.117 nan 8.360 nan 0.000 0.475 817 L N 1.979 122.854 121.223 -0.579 0.000 2.502 817 L HA 0.377 4.716 4.340 -0.001 0.000 0.249 817 L C -2.340 174.232 176.870 -0.497 0.000 1.446 817 L CA -1.628 52.915 54.840 -0.495 0.000 0.887 817 L CB 1.141 42.840 42.059 -0.600 0.000 1.126 817 L HN -0.025 nan 8.230 nan 0.000 0.509 818 P HA 0.130 nan 4.420 nan 0.000 0.291 818 P C -0.034 177.088 177.300 -0.297 0.000 1.287 818 P CA -0.214 62.436 63.100 -0.750 0.000 0.767 818 P CB 1.165 32.607 31.700 -0.431 0.000 1.290 819 A N -1.433 121.365 122.820 -0.037 0.000 3.214 819 A HA 0.612 4.931 4.320 -0.001 0.000 0.203 819 A C 0.041 177.663 177.584 0.063 0.000 0.960 819 A CA 0.350 52.441 52.037 0.090 0.000 1.113 819 A CB -0.263 18.834 19.000 0.163 0.000 1.280 819 A HN 0.833 nan 8.150 nan 0.000 0.573 820 G N -0.489 108.348 108.800 0.062 0.000 2.325 820 G HA2 0.510 4.470 3.960 -0.001 0.000 0.295 820 G HA3 0.510 4.470 3.960 -0.001 0.000 0.295 820 G C -1.861 173.055 174.900 0.026 0.000 1.274 820 G CA -0.484 44.501 45.100 -0.193 0.000 0.857 820 G HN 0.384 nan 8.290 nan 0.000 0.499 821 Q N -0.154 119.599 119.800 -0.079 0.000 2.345 821 Q HA 0.343 4.683 4.340 -0.001 0.000 0.275 821 Q C -1.197 174.965 176.000 0.270 0.000 1.063 821 Q CA -1.009 54.843 55.803 0.082 0.000 0.819 821 Q CB 2.423 30.895 28.738 -0.444 0.000 1.356 821 Q HN 0.473 nan 8.270 nan 0.000 0.418 822 N N 1.297 120.161 118.700 0.274 0.000 2.402 822 N HA 0.308 5.048 4.740 -0.001 0.000 0.252 822 N C -1.121 174.443 175.510 0.091 0.000 1.118 822 N CA 0.155 53.332 53.050 0.212 0.000 0.945 822 N CB 1.132 39.668 38.487 0.082 0.000 1.147 822 N HN 0.515 nan 8.380 nan 0.000 0.495 823 A N 2.929 125.827 122.820 0.130 0.000 2.337 823 A HA 0.472 4.791 4.320 -0.001 0.000 0.329 823 A C 0.282 177.915 177.584 0.083 0.000 1.146 823 A CA -0.737 51.341 52.037 0.068 0.000 0.800 823 A CB 0.812 19.855 19.000 0.073 0.000 1.220 823 A HN 0.500 nan 8.150 nan 0.000 0.472 824 I N 3.557 124.163 120.570 0.060 0.000 2.357 824 I HA 0.065 4.235 4.170 -0.001 0.000 0.300 824 I C 0.465 176.592 176.117 0.018 0.000 1.159 824 I CA 0.292 61.656 61.300 0.107 0.000 1.339 824 I CB -0.972 37.137 38.000 0.181 0.000 1.458 824 I HN 0.235 nan 8.210 nan 0.000 0.577 825 V N 5.372 125.285 119.914 -0.002 0.000 3.185 825 V HA 0.543 4.662 4.120 -0.001 0.000 0.305 825 V C 0.696 176.570 176.094 -0.368 0.000 1.090 825 V CA -0.369 61.876 62.300 -0.092 0.000 1.107 825 V CB 1.596 33.468 31.823 0.080 0.000 1.061 825 V HN 0.871 nan 8.190 nan 0.000 0.480 826 A N 4.520 127.127 122.820 -0.354 0.000 2.611 826 A HA 0.580 4.899 4.320 -0.001 0.000 0.282 826 A C -0.799 176.645 177.584 -0.233 0.000 1.114 826 A CA -0.467 51.262 52.037 -0.514 0.000 0.800 826 A CB 0.477 18.999 19.000 -0.797 0.000 1.325 826 A HN 0.666 nan 8.150 nan 0.000 0.411 827 I N 2.685 123.195 120.570 -0.100 0.000 2.311 827 I HA 0.451 4.620 4.170 -0.001 0.000 0.297 827 I C 0.639 176.708 176.117 -0.080 0.000 1.131 827 I CA 0.601 61.887 61.300 -0.023 0.000 1.289 827 I CB 0.380 38.435 38.000 0.091 0.000 1.446 827 I HN 0.769 nan 8.210 nan 0.000 0.524 828 A N 5.220 127.985 122.820 -0.092 0.000 2.564 828 A HA 0.634 4.953 4.320 -0.001 0.000 0.291 828 A C -1.374 176.193 177.584 -0.028 0.000 1.102 828 A CA -0.511 51.474 52.037 -0.087 0.000 0.660 828 A CB 1.176 20.093 19.000 -0.138 0.000 1.283 828 A HN 0.522 nan 8.150 nan 0.000 0.430 829 C N 0.532 119.839 119.300 0.012 0.000 2.330 829 C HA 0.786 5.245 4.460 -0.001 0.000 0.344 829 C C 0.132 175.243 174.990 0.201 0.000 1.273 829 C CA 0.016 59.090 59.018 0.093 0.000 1.879 829 C CB -0.070 27.718 27.740 0.082 0.000 2.376 829 C HN 0.789 nan 8.230 nan 0.000 0.534 830 Y N 1.303 121.606 120.300 0.005 0.000 2.741 830 Y HA 0.204 4.753 4.550 -0.001 0.000 0.208 830 Y C 2.257 178.175 175.900 0.030 0.000 2.219 830 Y CA 0.453 58.533 58.100 -0.034 0.000 1.141 830 Y CB -0.507 37.895 38.460 -0.096 0.000 1.443 830 Y HN 0.577 nan 8.280 nan 0.000 0.425 831 S N 0.073 115.715 115.700 -0.097 0.000 2.380 831 S HA -0.011 4.459 4.470 -0.001 0.000 0.229 831 S C 1.530 176.273 174.600 0.238 0.000 1.043 831 S CA 1.807 59.998 58.200 -0.015 0.000 1.038 831 S CB -0.853 62.367 63.200 0.032 0.000 0.872 831 S HN 1.549 nan 8.310 nan 0.000 0.456 832 G N -1.092 107.916 108.800 0.346 0.000 2.198 832 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.156 832 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.156 832 G C 0.310 175.394 174.900 0.307 0.000 1.012 832 G CA 0.132 45.404 45.100 0.287 0.000 0.692 832 G HN 0.420 nan 8.290 nan 0.000 0.492 833 Y N 1.681 122.038 120.300 0.095 0.000 2.490 833 Y HA 0.117 4.666 4.550 -0.002 0.000 0.285 833 Y C 2.298 178.236 175.900 0.062 0.000 1.117 833 Y CA 0.676 58.817 58.100 0.068 0.000 1.262 833 Y CB -0.056 38.445 38.460 0.067 0.000 1.043 833 Y HN 0.489 nan 8.280 nan 0.000 0.553 834 N N 0.528 119.370 118.700 0.236 0.000 2.515 834 N HA -0.084 4.655 4.740 -0.001 0.000 0.191 834 N C 0.447 176.019 175.510 0.104 0.000 1.182 834 N CA 0.076 53.214 53.050 0.147 0.000 0.879 834 N CB -0.204 38.367 38.487 0.141 0.000 0.984 834 N HN 0.385 nan 8.380 nan 0.000 0.453 835 Q N 0.882 120.736 119.800 0.089 0.000 2.584 835 Q HA -0.015 4.324 4.340 -0.001 0.000 0.235 835 Q C -0.199 175.818 176.000 0.027 0.000 1.079 835 Q CA -0.036 55.802 55.803 0.058 0.000 0.977 835 Q CB 0.387 29.138 28.738 0.021 0.000 1.293 835 Q HN 0.212 nan 8.270 nan 0.000 0.553 836 E N 2.283 122.491 120.200 0.013 0.000 2.038 836 E HA -0.373 3.977 4.350 -0.001 0.000 0.181 836 E C -1.068 175.537 176.600 0.008 0.000 1.383 836 E CA 1.124 57.522 56.400 -0.003 0.000 0.677 836 E CB -1.259 28.422 29.700 -0.031 0.000 1.051 836 E HN 0.697 nan 8.360 nan 0.000 0.317 837 D N -0.495 119.922 120.400 0.029 0.000 2.800 837 D HA -0.132 4.507 4.640 -0.001 0.000 0.248 837 D C -0.804 175.514 176.300 0.029 0.000 1.091 837 D CA 1.406 55.425 54.000 0.032 0.000 0.746 837 D CB -1.140 39.674 40.800 0.024 0.000 1.062 837 D HN 0.451 nan 8.370 nan 0.000 0.431 838 S N -0.956 114.767 115.700 0.039 0.000 2.543 838 S HA 0.686 5.155 4.470 -0.001 0.000 0.274 838 S C -0.150 174.483 174.600 0.055 0.000 1.149 838 S CA -1.168 57.054 58.200 0.037 0.000 0.866 838 S CB 2.740 65.951 63.200 0.019 0.000 1.111 838 S HN 0.241 nan 8.310 nan 0.000 0.457 839 M N 1.183 120.814 119.600 0.052 0.000 2.706 839 M HA 0.661 5.140 4.480 -0.001 0.000 0.304 839 M C -1.134 175.212 176.300 0.078 0.000 1.217 839 M CA -0.852 54.477 55.300 0.048 0.000 0.922 839 M CB 0.630 33.219 32.600 -0.019 0.000 1.637 839 M HN 0.698 nan 8.290 nan 0.000 0.492 840 I N 1.937 122.562 120.570 0.092 0.000 2.339 840 I HA 0.401 4.570 4.170 -0.001 0.000 0.290 840 I C -0.598 175.570 176.117 0.086 0.000 0.994 840 I CA -0.324 61.064 61.300 0.146 0.000 1.191 840 I CB 1.645 39.798 38.000 0.256 0.000 1.343 840 I HN 0.699 nan 8.210 nan 0.000 0.458 841 M N 6.556 126.197 119.600 0.068 0.000 2.227 841 M HA 0.328 4.808 4.480 -0.001 0.000 0.335 841 M C -0.307 176.034 176.300 0.068 0.000 1.053 841 M CA -0.650 54.670 55.300 0.033 0.000 0.973 841 M CB 1.288 33.892 32.600 0.007 0.000 1.623 841 M HN 0.499 nan 8.290 nan 0.000 0.434 842 N N 3.293 122.030 118.700 0.062 0.000 2.359 842 N HA -0.127 4.612 4.740 -0.001 0.000 0.261 842 N C 0.408 175.960 175.510 0.070 0.000 1.267 842 N CA 0.609 53.710 53.050 0.084 0.000 0.864 842 N CB 0.948 39.469 38.487 0.057 0.000 1.063 842 N HN 0.737 nan 8.380 nan 0.000 0.474 843 Q N 2.968 122.816 119.800 0.080 0.000 2.033 843 Q HA -0.028 4.312 4.340 -0.001 0.000 0.196 843 Q C 1.381 177.412 176.000 0.051 0.000 0.970 843 Q CA 1.669 57.505 55.803 0.055 0.000 0.828 843 Q CB -0.404 28.362 28.738 0.047 0.000 0.895 843 Q HN 0.721 nan 8.270 nan 0.000 0.440 844 S N 0.816 116.553 115.700 0.061 0.000 2.434 844 S HA -0.310 4.159 4.470 -0.001 0.000 0.240 844 S C 1.989 176.615 174.600 0.044 0.000 1.052 844 S CA 2.353 60.584 58.200 0.053 0.000 1.198 844 S CB -1.173 62.064 63.200 0.061 0.000 1.124 844 S HN 0.728 nan 8.310 nan 0.000 0.426 845 S N 2.235 117.961 115.700 0.043 0.000 2.381 845 S HA -0.183 4.286 4.470 -0.001 0.000 0.230 845 S C 1.763 176.379 174.600 0.026 0.000 1.052 845 S CA 1.688 59.907 58.200 0.031 0.000 1.068 845 S CB -1.117 62.097 63.200 0.023 0.000 0.918 845 S HN 0.487 nan 8.310 nan 0.000 0.448 846 I N 2.406 122.997 120.570 0.035 0.000 2.300 846 I HA -0.234 3.935 4.170 -0.001 0.000 0.252 846 I C 2.053 178.180 176.117 0.016 0.000 1.119 846 I CA 1.757 63.078 61.300 0.035 0.000 1.384 846 I CB -0.548 37.478 38.000 0.044 0.000 1.062 846 I HN 0.349 nan 8.210 nan 0.000 0.426 847 D N 0.616 121.029 120.400 0.022 0.000 2.110 847 D HA -0.075 4.565 4.640 -0.001 0.000 0.202 847 D C 1.969 178.285 176.300 0.027 0.000 0.975 847 D CA 0.880 54.892 54.000 0.021 0.000 0.839 847 D CB -0.274 40.543 40.800 0.028 0.000 0.996 847 D HN 0.284 nan 8.370 nan 0.000 0.464 848 R N 0.245 120.766 120.500 0.037 0.000 2.395 848 R HA 0.059 4.398 4.340 -0.001 0.000 0.203 848 R C 1.020 177.359 176.300 0.065 0.000 1.076 848 R CA 0.655 56.789 56.100 0.056 0.000 1.059 848 R CB -0.183 30.151 30.300 0.056 0.000 0.860 848 R HN 0.238 nan 8.270 nan 0.000 0.476 849 G N 0.585 109.394 108.800 0.015 0.000 2.148 849 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.203 849 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.203 849 G C -0.156 174.680 174.900 -0.106 0.000 0.993 849 G CA -0.454 44.610 45.100 -0.060 0.000 0.661 849 G HN 0.222 nan 8.290 nan 0.000 0.518 850 L N 0.506 121.700 121.223 -0.050 0.000 2.490 850 L HA 0.644 4.984 4.340 -0.001 0.000 0.274 850 L C 1.418 178.279 176.870 -0.015 0.000 1.201 850 L CA 0.592 55.379 54.840 -0.089 0.000 0.869 850 L CB -0.718 41.306 42.059 -0.058 0.000 1.123 850 L HN 0.597 nan 8.230 nan 0.000 0.484 851 F N 1.880 121.776 119.950 -0.091 0.000 3.030 851 F HA -0.341 4.185 4.527 -0.002 0.000 0.302 851 F C 1.271 176.993 175.800 -0.130 0.000 0.749 851 F CA 0.803 58.752 58.000 -0.086 0.000 1.040 851 F CB -0.767 38.179 39.000 -0.091 0.000 1.383 851 F HN 0.609 nan 8.300 nan 0.000 0.368 852 R N 0.942 121.365 120.500 -0.128 0.000 2.679 852 R HA 0.334 4.673 4.340 -0.001 0.000 0.268 852 R C 0.578 176.611 176.300 -0.445 0.000 1.044 852 R CA 0.859 56.702 56.100 -0.427 0.000 1.105 852 R CB 0.849 30.594 30.300 -0.926 0.000 0.989 852 R HN 0.252 nan 8.270 nan 0.000 0.447 853 S N 2.039 117.507 115.700 -0.387 0.000 2.627 853 S HA 0.536 5.005 4.470 -0.001 0.000 0.283 853 S C -0.524 174.084 174.600 0.012 0.000 1.127 853 S CA -1.058 57.077 58.200 -0.108 0.000 0.863 853 S CB 1.460 64.657 63.200 -0.005 0.000 1.121 853 S HN 0.379 nan 8.310 nan 0.000 0.479 854 L N 1.609 122.975 121.223 0.239 0.000 2.352 854 L HA 0.697 5.037 4.340 -0.001 0.000 0.269 854 L C -1.181 175.923 176.870 0.390 0.000 1.034 854 L CA -0.828 54.225 54.840 0.356 0.000 0.806 854 L CB 1.542 43.924 42.059 0.539 0.000 1.244 854 L HN 0.783 nan 8.230 nan 0.000 0.447 855 F N 2.291 122.313 119.950 0.120 0.000 2.653 855 F HA 0.492 5.018 4.527 -0.001 0.000 0.327 855 F C -1.510 174.281 175.800 -0.015 0.000 1.195 855 F CA -1.420 56.642 58.000 0.103 0.000 0.993 855 F CB 1.078 40.075 39.000 -0.006 0.000 1.259 855 F HN 0.034 nan 8.300 nan 0.000 0.478 856 F N 5.598 125.662 119.950 0.190 0.000 2.469 856 F HA 0.706 5.233 4.527 0.001 0.000 0.332 856 F C 0.132 175.785 175.800 -0.245 0.000 1.103 856 F CA -0.695 57.243 58.000 -0.104 0.000 0.979 856 F CB 1.837 40.862 39.000 0.042 0.000 1.137 856 F HN 0.504 nan 8.300 nan 0.000 0.463 857 R N 0.855 121.196 120.500 -0.266 0.000 2.808 857 R HA 0.824 5.163 4.340 -0.001 0.000 0.272 857 R C -1.695 174.439 176.300 -0.276 0.000 0.995 857 R CA -0.705 55.208 56.100 -0.311 0.000 0.917 857 R CB 2.118 32.093 30.300 -0.543 0.000 1.217 857 R HN 0.769 nan 8.270 nan 0.000 0.471 858 S N 1.450 116.938 115.700 -0.354 0.000 2.649 858 S HA 0.407 4.876 4.470 -0.001 0.000 0.274 858 S C -1.231 173.154 174.600 -0.359 0.000 1.176 858 S CA -0.896 57.142 58.200 -0.271 0.000 0.988 858 S CB 0.566 63.722 63.200 -0.072 0.000 1.071 858 S HN 0.458 nan 8.310 nan 0.000 0.478 859 Y N 2.294 122.556 120.300 -0.064 0.000 2.408 859 Y HA 0.769 5.319 4.550 -0.001 0.000 0.324 859 Y C 0.608 176.455 175.900 -0.089 0.000 1.302 859 Y CA -1.173 56.888 58.100 -0.065 0.000 1.384 859 Y CB 0.793 39.209 38.460 -0.073 0.000 1.367 859 Y HN 0.765 nan 8.280 nan 0.000 0.525 860 M N 1.061 120.710 119.600 0.082 0.000 2.578 860 M HA 0.384 4.864 4.480 -0.001 0.000 0.276 860 M C -2.605 173.686 176.300 -0.014 0.000 1.245 860 M CA -0.400 54.867 55.300 -0.054 0.000 0.871 860 M CB 2.894 35.441 32.600 -0.088 0.000 1.722 860 M HN 0.857 nan 8.290 nan 0.000 0.473 861 D N 1.736 122.099 120.400 -0.063 0.000 2.706 861 D HA 0.356 4.995 4.640 -0.001 0.000 0.227 861 D C -1.894 174.515 176.300 0.181 0.000 1.233 861 D CA -0.039 54.018 54.000 0.094 0.000 0.768 861 D CB 2.283 43.186 40.800 0.171 0.000 1.490 861 D HN 0.787 nan 8.370 nan 0.000 0.458 862 Q N 0.463 120.393 119.800 0.216 0.000 2.486 862 Q HA 0.493 4.832 4.340 -0.001 0.000 0.274 862 Q C -0.629 175.388 176.000 0.029 0.000 1.076 862 Q CA -0.823 55.120 55.803 0.233 0.000 0.872 862 Q CB 2.089 30.988 28.738 0.269 0.000 1.383 862 Q HN 0.218 nan 8.270 nan 0.000 0.478 863 E N 1.275 121.443 120.200 -0.054 0.000 2.267 863 E HA 0.161 4.510 4.350 -0.001 0.000 0.241 863 E C -1.150 175.405 176.600 -0.075 0.000 0.950 863 E CA -0.247 56.046 56.400 -0.178 0.000 0.776 863 E CB 0.713 30.247 29.700 -0.277 0.000 1.207 863 E HN 0.213 nan 8.360 nan 0.000 0.436 864 K N 1.976 122.341 120.400 -0.058 0.000 2.561 864 K HA -0.006 4.313 4.320 -0.001 0.000 0.280 864 K C 0.274 176.791 176.600 -0.139 0.000 0.975 864 K CA 0.571 56.788 56.287 -0.117 0.000 1.024 864 K CB 0.524 32.943 32.500 -0.134 0.000 0.883 864 K HN 0.044 nan 8.250 nan 0.000 0.496 865 K N 1.878 122.120 120.400 -0.265 0.000 2.352 865 K HA 0.443 4.763 4.320 -0.001 0.000 0.240 865 K C -1.385 174.973 176.600 -0.404 0.000 1.017 865 K CA -0.886 55.312 56.287 -0.148 0.000 0.851 865 K CB 1.359 33.833 32.500 -0.044 0.000 1.261 865 K HN 0.400 nan 8.250 nan 0.000 0.451 866 Y N -1.110 119.191 120.300 0.002 0.000 2.332 866 Y HA 0.203 4.752 4.550 -0.001 0.000 0.325 866 Y C 1.233 177.137 175.900 0.007 0.000 1.054 866 Y CA -0.792 57.312 58.100 0.006 0.000 1.119 866 Y CB 1.563 40.026 38.460 0.005 0.000 1.168 866 Y HN 0.812 nan 8.280 nan 0.000 0.439 867 G N 2.200 111.076 108.800 0.127 0.000 2.728 867 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.224 867 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.224 867 G C 1.200 176.148 174.900 0.081 0.000 1.123 867 G CA 1.101 46.251 45.100 0.084 0.000 0.755 867 G HN 0.668 nan 8.290 nan 0.000 0.622 868 M N 1.541 121.197 119.600 0.093 0.000 2.726 868 M HA 0.236 4.716 4.480 -0.001 0.000 0.211 868 M C 0.268 176.596 176.300 0.047 0.000 1.190 868 M CA -0.048 55.286 55.300 0.057 0.000 1.000 868 M CB -0.420 32.205 32.600 0.042 0.000 1.790 868 M HN 0.119 nan 8.290 nan 0.000 0.467 869 S N 1.249 116.989 115.700 0.067 0.000 3.442 869 S HA -0.145 4.324 4.470 -0.001 0.000 0.444 869 S C -0.533 174.086 174.600 0.032 0.000 0.738 869 S CA 0.514 58.747 58.200 0.056 0.000 1.342 869 S CB -0.939 62.281 63.200 0.032 0.000 1.270 869 S HN 0.635 nan 8.310 nan 0.000 0.695 870 I N 2.610 123.217 120.570 0.062 0.000 2.667 870 I HA 0.263 4.432 4.170 -0.001 0.000 0.288 870 I C -0.325 175.856 176.117 0.108 0.000 1.267 870 I CA -0.396 60.897 61.300 -0.012 0.000 1.055 870 I CB 2.501 40.353 38.000 -0.246 0.000 1.294 870 I HN 0.433 nan 8.210 nan 0.000 0.429 871 T N 4.251 118.840 114.554 0.058 0.000 2.876 871 T HA 0.393 4.742 4.350 -0.001 0.000 0.289 871 T C -0.357 174.365 174.700 0.036 0.000 1.014 871 T CA -0.742 61.404 62.100 0.078 0.000 0.986 871 T CB 2.204 71.092 68.868 0.033 0.000 1.021 871 T HN 0.428 nan 8.240 nan 0.000 0.458 872 E N 1.095 121.314 120.200 0.031 0.000 2.369 872 E HA 0.553 4.903 4.350 -0.001 0.000 0.255 872 E C -0.393 176.142 176.600 -0.108 0.000 1.172 872 E CA -0.447 55.938 56.400 -0.026 0.000 0.932 872 E CB 0.710 30.384 29.700 -0.044 0.000 1.040 872 E HN 0.479 nan 8.360 nan 0.000 0.454 873 T N 0.738 115.221 114.554 -0.119 0.000 2.982 873 T HA 0.262 4.611 4.350 -0.001 0.000 0.321 873 T C -0.968 173.716 174.700 -0.026 0.000 1.229 873 T CA -0.691 61.337 62.100 -0.121 0.000 1.044 873 T CB 0.495 69.351 68.868 -0.021 0.000 1.184 873 T HN 0.276 nan 8.240 nan 0.000 0.477 874 F N 3.392 123.364 119.950 0.037 0.000 2.462 874 F HA 0.352 4.878 4.527 -0.001 0.000 0.354 874 F C 1.198 177.017 175.800 0.031 0.000 1.192 874 F CA -0.523 57.496 58.000 0.031 0.000 1.173 874 F CB 0.295 39.309 39.000 0.024 0.000 1.402 874 F HN 0.600 nan 8.300 nan 0.000 0.595 875 E N 1.772 122.109 120.200 0.229 0.000 2.433 875 E HA 0.382 4.731 4.350 -0.001 0.000 0.264 875 E C -1.388 175.292 176.600 0.133 0.000 0.960 875 E CA -1.355 55.129 56.400 0.140 0.000 0.866 875 E CB 1.743 31.500 29.700 0.095 0.000 1.615 875 E HN 0.224 nan 8.360 nan 0.000 0.442 876 K N 1.817 122.277 120.400 0.099 0.000 2.484 876 K HA 0.330 4.649 4.320 -0.001 0.000 0.226 876 K C -2.244 174.382 176.600 0.042 0.000 1.031 876 K CA -1.867 54.487 56.287 0.112 0.000 1.026 876 K CB 0.809 33.365 32.500 0.093 0.000 1.412 876 K HN 0.371 nan 8.250 nan 0.000 0.492 877 P HA 0.130 nan 4.420 nan 0.000 0.286 877 P C -1.499 175.686 177.300 -0.192 0.000 1.293 877 P CA -0.303 62.749 63.100 -0.080 0.000 0.770 877 P CB 0.633 32.292 31.700 -0.067 0.000 1.206 878 Q N -1.668 118.026 119.800 -0.176 0.000 2.887 878 Q HA 0.333 4.672 4.340 -0.001 0.000 0.211 878 Q C -0.315 175.608 176.000 -0.127 0.000 0.879 878 Q CA -0.876 54.811 55.803 -0.193 0.000 1.210 878 Q CB 0.826 29.476 28.738 -0.146 0.000 1.663 878 Q HN 0.244 nan 8.270 nan 0.000 0.582 879 R N 0.456 120.877 120.500 -0.132 0.000 3.726 879 R HA -0.212 4.128 4.340 -0.001 0.000 0.510 879 R C -0.330 175.929 176.300 -0.068 0.000 0.241 879 R CA 1.651 57.697 56.100 -0.089 0.000 1.592 879 R CB -2.213 28.045 30.300 -0.071 0.000 0.955 879 R HN 1.451 nan 8.270 nan 0.000 0.585 880 T N 1.235 115.758 114.554 -0.051 0.000 3.944 880 T HA -0.147 4.202 4.350 -0.001 0.000 0.376 880 T C 0.521 175.200 174.700 -0.035 0.000 0.759 880 T CA 1.085 63.162 62.100 -0.039 0.000 2.034 880 T CB -0.970 67.875 68.868 -0.038 0.000 1.791 880 T HN 0.626 nan 8.240 nan 0.000 0.846 881 N N -1.156 117.525 118.700 -0.032 0.000 3.651 881 N HA -0.219 4.521 4.740 -0.001 0.000 0.236 881 N C 1.417 176.910 175.510 -0.029 0.000 0.234 881 N CA 1.825 54.859 53.050 -0.027 0.000 3.447 881 N CB -1.753 36.719 38.487 -0.024 0.000 1.309 881 N HN 0.484 nan 8.380 nan 0.000 0.255 882 T N 2.483 117.019 114.554 -0.030 0.000 2.597 882 T HA -0.058 4.292 4.350 -0.001 0.000 0.267 882 T C 1.655 176.335 174.700 -0.034 0.000 1.053 882 T CA 2.810 64.893 62.100 -0.029 0.000 1.165 882 T CB -0.174 68.678 68.868 -0.027 0.000 0.863 882 T HN 0.482 nan 8.240 nan 0.000 0.427 883 L N -2.678 118.517 121.223 -0.046 0.000 2.962 883 L HA -0.175 4.164 4.340 -0.001 0.000 0.424 883 L C 0.493 177.327 176.870 -0.060 0.000 0.702 883 L CA 0.605 55.411 54.840 -0.056 0.000 3.054 883 L CB -1.215 40.817 42.059 -0.046 0.000 0.739 883 L HN 0.166 nan 8.230 nan 0.000 0.730 884 R N 1.986 122.460 120.500 -0.042 0.000 2.637 884 R HA 0.235 4.575 4.340 -0.001 0.000 0.331 884 R C 0.241 176.524 176.300 -0.027 0.000 1.166 884 R CA 0.711 56.791 56.100 -0.033 0.000 0.993 884 R CB -0.003 30.288 30.300 -0.015 0.000 1.012 884 R HN 0.424 nan 8.270 nan 0.000 0.461 885 M N 1.039 120.615 119.600 -0.040 0.000 2.346 885 M HA 0.447 4.926 4.480 -0.001 0.000 0.237 885 M C -0.166 176.160 176.300 0.043 0.000 1.096 885 M CA -0.694 54.605 55.300 -0.002 0.000 1.713 885 M CB 0.728 33.272 32.600 -0.093 0.000 1.330 885 M HN 0.015 nan 8.290 nan 0.000 0.869 886 K N 0.087 120.565 120.400 0.130 0.000 2.477 886 K HA 0.350 4.670 4.320 -0.001 0.000 0.255 886 K C 0.426 177.081 176.600 0.092 0.000 0.952 886 K CA -0.595 55.758 56.287 0.111 0.000 0.826 886 K CB 1.324 33.911 32.500 0.146 0.000 1.331 886 K HN 0.524 nan 8.250 nan 0.000 0.437 887 H N 0.875 119.990 119.070 0.075 0.000 2.353 887 H HA -0.058 4.497 4.556 -0.002 0.000 0.300 887 H C 0.981 176.347 175.328 0.063 0.000 1.090 887 H CA 1.602 57.683 56.048 0.055 0.000 1.327 887 H CB 0.175 29.951 29.762 0.023 0.000 1.383 887 H HN 0.789 nan 8.280 nan 0.000 0.508 888 G N 0.434 109.327 108.800 0.156 0.000 2.902 888 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.240 888 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.240 888 G C -0.245 174.709 174.900 0.089 0.000 1.244 888 G CA -0.007 45.124 45.100 0.053 0.000 0.862 888 G HN 0.220 nan 8.290 nan 0.000 0.603 889 T N 1.469 116.038 114.554 0.026 0.000 2.747 889 T HA 0.219 4.568 4.350 -0.001 0.000 0.301 889 T C 0.660 175.378 174.700 0.030 0.000 0.952 889 T CA -0.121 62.018 62.100 0.066 0.000 0.983 889 T CB 0.659 69.543 68.868 0.027 0.000 0.930 889 T HN 0.412 nan 8.240 nan 0.000 0.494 890 Y N 2.070 122.359 120.300 -0.019 0.000 2.200 890 Y HA -0.149 4.399 4.550 -0.003 0.000 0.290 890 Y C 2.285 178.171 175.900 -0.024 0.000 1.137 890 Y CA 0.929 59.015 58.100 -0.023 0.000 1.163 890 Y CB -0.262 38.187 38.460 -0.018 0.000 0.988 890 Y HN 0.630 nan 8.280 nan 0.000 0.518 891 D N 0.371 120.852 120.400 0.136 0.000 3.181 891 D HA -0.317 4.322 4.640 -0.001 0.000 0.190 891 D C 1.733 178.049 176.300 0.026 0.000 1.155 891 D CA 2.133 56.172 54.000 0.065 0.000 0.901 891 D CB -0.353 40.472 40.800 0.042 0.000 0.891 891 D HN 0.412 nan 8.370 nan 0.000 0.498 892 K N -0.045 120.352 120.400 -0.005 0.000 2.211 892 K HA -0.015 4.304 4.320 -0.001 0.000 0.203 892 K C 0.927 177.507 176.600 -0.033 0.000 1.050 892 K CA 0.040 56.310 56.287 -0.029 0.000 0.945 892 K CB -0.017 32.449 32.500 -0.055 0.000 0.732 892 K HN 0.177 nan 8.250 nan 0.000 0.451 893 L N 1.992 123.198 121.223 -0.028 0.000 2.453 893 L HA -0.056 4.284 4.340 -0.001 0.000 0.272 893 L C 0.478 177.346 176.870 -0.004 0.000 1.182 893 L CA -0.194 54.630 54.840 -0.027 0.000 0.858 893 L CB 0.453 42.509 42.059 -0.005 0.000 1.120 893 L HN 0.081 nan 8.230 nan 0.000 0.474 894 D N 0.946 121.336 120.400 -0.017 0.000 2.315 894 D HA -0.002 4.637 4.640 -0.001 0.000 0.275 894 D C 0.621 176.926 176.300 0.009 0.000 1.218 894 D CA 0.014 54.010 54.000 -0.006 0.000 1.040 894 D CB 0.455 41.245 40.800 -0.015 0.000 1.123 894 D HN 0.514 nan 8.370 nan 0.000 0.541 895 D N -1.413 118.995 120.400 0.012 0.000 2.271 895 D HA -0.022 4.617 4.640 -0.001 0.000 0.206 895 D C 0.749 177.070 176.300 0.035 0.000 0.967 895 D CA 0.477 54.492 54.000 0.026 0.000 0.867 895 D CB 0.014 40.829 40.800 0.024 0.000 0.960 895 D HN 0.373 nan 8.370 nan 0.000 0.509 896 D N -0.494 119.918 120.400 0.020 0.000 2.378 896 D HA 0.059 4.698 4.640 -0.001 0.000 0.227 896 D C 1.375 177.680 176.300 0.009 0.000 1.012 896 D CA 0.643 54.660 54.000 0.029 0.000 0.905 896 D CB -0.354 40.450 40.800 0.006 0.000 0.895 896 D HN 0.143 nan 8.370 nan 0.000 0.532 897 G N -0.352 108.445 108.800 -0.004 0.000 2.160 897 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.244 897 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.244 897 G C -0.229 174.579 174.900 -0.152 0.000 1.022 897 G CA 0.271 45.352 45.100 -0.031 0.000 0.741 897 G HN 0.411 nan 8.290 nan 0.000 0.508 898 L N -0.717 120.426 121.223 -0.133 0.000 2.393 898 L HA 0.658 4.997 4.340 -0.001 0.000 0.260 898 L C 0.459 177.265 176.870 -0.107 0.000 1.002 898 L CA -1.401 53.342 54.840 -0.162 0.000 0.818 898 L CB 2.034 43.984 42.059 -0.181 0.000 1.369 898 L HN 0.004 nan 8.230 nan 0.000 0.412 899 I N 1.603 122.108 120.570 -0.109 0.000 2.428 899 I HA 0.403 4.572 4.170 -0.001 0.000 0.289 899 I C 0.595 176.673 176.117 -0.064 0.000 1.019 899 I CA -0.253 60.998 61.300 -0.082 0.000 1.351 899 I CB 1.626 39.572 38.000 -0.090 0.000 1.412 899 I HN 0.651 nan 8.210 nan 0.000 0.513 900 A N 7.649 130.440 122.820 -0.048 0.000 2.388 900 A HA 0.392 4.711 4.320 -0.001 0.000 0.257 900 A C -1.578 175.986 177.584 -0.033 0.000 1.095 900 A CA -1.283 50.732 52.037 -0.036 0.000 0.791 900 A CB 0.075 19.059 19.000 -0.027 0.000 1.029 900 A HN 0.567 nan 8.150 nan 0.000 0.489 901 P HA -0.260 nan 4.420 nan 0.000 0.219 901 P C 1.702 178.988 177.300 -0.022 0.000 1.158 901 P CA 2.447 65.535 63.100 -0.020 0.000 0.895 901 P CB 0.095 31.791 31.700 -0.008 0.000 0.792 902 G N -0.701 108.088 108.800 -0.019 0.000 2.450 902 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.220 902 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.220 902 G C 0.450 175.336 174.900 -0.024 0.000 1.130 902 G CA 0.300 45.389 45.100 -0.018 0.000 0.760 902 G HN 0.206 nan 8.290 nan 0.000 0.557 903 V N 0.024 119.920 119.914 -0.029 0.000 2.975 903 V HA 0.005 4.124 4.120 -0.001 0.000 0.300 903 V C 0.876 176.947 176.094 -0.039 0.000 1.186 903 V CA 0.411 62.691 62.300 -0.034 0.000 1.311 903 V CB 0.568 32.366 31.823 -0.042 0.000 0.917 903 V HN 0.384 nan 8.190 nan 0.000 0.512 904 R N 2.746 123.223 120.500 -0.037 0.000 2.287 904 R HA 0.518 4.858 4.340 -0.001 0.000 0.316 904 R C -0.642 175.631 176.300 -0.046 0.000 1.050 904 R CA -0.447 55.629 56.100 -0.040 0.000 0.983 904 R CB 1.055 31.337 30.300 -0.030 0.000 1.140 904 R HN 0.755 nan 8.270 nan 0.000 0.528 905 V N 1.188 121.068 119.914 -0.056 0.000 2.743 905 V HA 0.678 4.798 4.120 -0.001 0.000 0.301 905 V C 0.319 176.378 176.094 -0.058 0.000 1.057 905 V CA -0.051 62.211 62.300 -0.064 0.000 1.006 905 V CB 1.699 33.473 31.823 -0.082 0.000 1.024 905 V HN 0.850 nan 8.190 nan 0.000 0.473 906 S N 2.189 117.855 115.700 -0.056 0.000 3.865 906 S HA 0.541 5.010 4.470 -0.001 0.000 0.182 906 S C 1.461 176.033 174.600 -0.046 0.000 1.141 906 S CA 0.215 58.388 58.200 -0.045 0.000 1.257 906 S CB -0.122 63.057 63.200 -0.035 0.000 1.779 906 S HN 1.448 nan 8.310 nan 0.000 0.816 907 G N 1.481 110.258 108.800 -0.039 0.000 2.304 907 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.192 907 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.192 907 G C 0.301 175.171 174.900 -0.049 0.000 1.314 907 G CA 1.058 46.136 45.100 -0.038 0.000 0.966 907 G HN 0.732 nan 8.290 nan 0.000 0.550 908 E N 1.040 121.209 120.200 -0.051 0.000 2.496 908 E HA 0.168 4.518 4.350 -0.001 0.000 0.200 908 E C -0.619 175.923 176.600 -0.098 0.000 1.016 908 E CA -0.271 56.090 56.400 -0.065 0.000 0.962 908 E CB 0.180 29.860 29.700 -0.033 0.000 1.071 908 E HN 0.484 nan 8.360 nan 0.000 0.457 909 D N 0.720 121.057 120.400 -0.105 0.000 2.429 909 D HA -0.070 4.569 4.640 -0.001 0.000 0.233 909 D C 0.082 176.250 176.300 -0.219 0.000 1.202 909 D CA 0.264 54.181 54.000 -0.138 0.000 0.879 909 D CB 0.703 41.432 40.800 -0.117 0.000 1.212 909 D HN -0.179 nan 8.370 nan 0.000 0.465 910 V N 1.425 121.161 119.914 -0.296 0.000 2.732 910 V HA 0.164 4.283 4.120 -0.001 0.000 0.297 910 V C 1.169 177.078 176.094 -0.308 0.000 1.060 910 V CA -0.105 61.960 62.300 -0.392 0.000 1.038 910 V CB 1.308 32.721 31.823 -0.683 0.000 1.003 910 V HN 0.531 nan 8.190 nan 0.000 0.481 911 I N 2.852 123.236 120.570 -0.310 0.000 4.471 911 I HA 0.357 4.527 4.170 -0.001 0.000 0.326 911 I C -0.033 175.944 176.117 -0.233 0.000 1.300 911 I CA 0.595 61.736 61.300 -0.265 0.000 1.237 911 I CB 0.722 38.522 38.000 -0.334 0.000 1.195 911 I HN 0.378 nan 8.210 nan 0.000 0.427 912 I N 0.951 121.384 120.570 -0.229 0.000 2.571 912 I HA 0.303 4.472 4.170 -0.001 0.000 0.286 912 I C -0.228 175.834 176.117 -0.091 0.000 1.134 912 I CA -0.507 60.675 61.300 -0.196 0.000 1.052 912 I CB 1.982 39.866 38.000 -0.192 0.000 1.237 912 I HN -0.071 nan 8.210 nan 0.000 0.435 913 G N 5.398 114.180 108.800 -0.030 0.000 2.325 913 G HA2 0.539 4.498 3.960 -0.001 0.000 0.298 913 G HA3 0.539 4.498 3.960 -0.001 0.000 0.298 913 G C -0.860 174.209 174.900 0.281 0.000 1.134 913 G CA -0.245 44.932 45.100 0.130 0.000 0.876 913 G HN 0.575 nan 8.290 nan 0.000 0.452 914 K N 0.904 121.468 120.400 0.273 0.000 2.502 914 K HA 0.674 4.993 4.320 -0.001 0.000 0.257 914 K C -0.895 175.793 176.600 0.146 0.000 0.938 914 K CA -0.668 55.789 56.287 0.283 0.000 0.819 914 K CB 2.112 34.793 32.500 0.302 0.000 1.333 914 K HN 0.597 nan 8.250 nan 0.000 0.434 915 T N -0.711 113.890 114.554 0.079 0.000 2.900 915 T HA 0.481 4.831 4.350 -0.001 0.000 0.295 915 T C -0.787 173.927 174.700 0.023 0.000 1.044 915 T CA -0.727 61.403 62.100 0.049 0.000 0.995 915 T CB 1.764 70.656 68.868 0.040 0.000 1.072 915 T HN 0.352 nan 8.240 nan 0.000 0.473 916 T N 4.316 118.884 114.554 0.023 0.000 2.809 916 T HA 0.574 4.923 4.350 -0.001 0.000 0.284 916 T C -2.782 171.912 174.700 -0.010 0.000 0.992 916 T CA -1.206 60.904 62.100 0.018 0.000 0.957 916 T CB 1.616 70.508 68.868 0.041 0.000 0.942 916 T HN 0.544 nan 8.240 nan 0.000 0.439 917 P HA 0.526 nan 4.420 nan 0.000 0.287 917 P C -0.979 176.272 177.300 -0.083 0.000 1.294 917 P CA -0.384 62.685 63.100 -0.052 0.000 0.776 917 P CB 0.898 32.565 31.700 -0.055 0.000 0.889 918 I N 2.484 123.017 120.570 -0.063 0.000 2.569 918 I HA 0.266 4.436 4.170 -0.001 0.000 0.290 918 I C 0.333 176.419 176.117 -0.052 0.000 1.088 918 I CA -0.358 60.901 61.300 -0.068 0.000 1.047 918 I CB 2.445 40.416 38.000 -0.049 0.000 1.237 918 I HN 0.410 nan 8.210 nan 0.000 0.421 934 K N 2.949 123.336 120.400 -0.022 0.000 2.291 934 K HA 0.382 4.701 4.320 -0.001 0.000 0.242 934 K C -0.693 175.896 176.600 -0.018 0.000 1.098 934 K CA -0.248 56.027 56.287 -0.021 0.000 1.036 934 K CB 0.644 33.125 32.500 -0.032 0.000 1.655 934 K HN 0.335 nan 8.250 nan 0.000 0.432 935 R N 1.423 121.919 120.500 -0.006 0.000 2.312 935 R HA 0.199 4.538 4.340 -0.001 0.000 0.311 935 R C -0.207 176.106 176.300 0.021 0.000 1.004 935 R CA -0.784 55.317 56.100 0.002 0.000 0.902 935 R CB 1.220 31.523 30.300 0.005 0.000 1.073 935 R HN 0.393 nan 8.270 nan 0.000 0.457 936 D N 1.561 121.979 120.400 0.030 0.000 2.329 936 D HA 0.268 4.907 4.640 -0.001 0.000 0.246 936 D C -0.295 176.047 176.300 0.069 0.000 1.111 936 D CA -0.142 53.897 54.000 0.065 0.000 0.941 936 D CB 1.556 42.413 40.800 0.094 0.000 1.169 936 D HN 0.633 nan 8.370 nan 0.000 0.441 937 A N 1.821 124.694 122.820 0.089 0.000 2.538 937 A HA 0.212 4.531 4.320 -0.001 0.000 0.276 937 A C 0.271 177.911 177.584 0.093 0.000 0.908 937 A CA -0.375 51.711 52.037 0.082 0.000 1.042 937 A CB 0.053 19.101 19.000 0.079 0.000 1.218 937 A HN 0.351 nan 8.150 nan 0.000 0.517 938 S N 0.943 116.701 115.700 0.095 0.000 2.589 938 S HA 0.417 4.886 4.470 -0.001 0.000 0.265 938 S C 0.343 174.933 174.600 -0.017 0.000 1.342 938 S CA 0.418 58.649 58.200 0.051 0.000 1.005 938 S CB 0.561 63.782 63.200 0.035 0.000 0.909 938 S HN 0.479 nan 8.310 nan 0.000 0.555 939 T N 4.015 118.515 114.554 -0.090 0.000 2.809 939 T HA 0.491 4.841 4.350 -0.001 0.000 0.296 939 T C -2.689 171.846 174.700 -0.274 0.000 1.015 939 T CA -1.247 60.763 62.100 -0.150 0.000 0.954 939 T CB 1.400 70.179 68.868 -0.149 0.000 0.950 939 T HN 0.368 nan 8.240 nan 0.000 0.450 940 P HA 0.408 nan 4.420 nan 0.000 0.293 940 P C -0.421 176.648 177.300 -0.385 0.000 1.291 940 P CA -0.943 61.986 63.100 -0.285 0.000 0.867 940 P CB 1.303 32.903 31.700 -0.167 0.000 1.074 941 L N 3.523 124.505 121.223 -0.402 0.000 2.540 941 L HA 0.055 4.394 4.340 -0.001 0.000 0.276 941 L C 0.956 177.749 176.870 -0.128 0.000 1.212 941 L CA 0.347 54.964 54.840 -0.372 0.000 0.893 941 L CB -0.298 41.642 42.059 -0.199 0.000 1.138 941 L HN 0.322 nan 8.230 nan 0.000 0.491 942 R N 3.407 123.932 120.500 0.041 0.000 2.485 942 R HA -0.102 4.237 4.340 -0.001 0.000 0.304 942 R C 1.670 177.981 176.300 0.018 0.000 0.934 942 R CA 0.681 56.821 56.100 0.067 0.000 1.102 942 R CB 0.182 30.562 30.300 0.133 0.000 0.906 942 R HN 1.045 nan 8.270 nan 0.000 0.407 943 S N 1.875 117.573 115.700 -0.003 0.000 2.457 943 S HA -0.349 4.120 4.470 -0.001 0.000 0.269 943 S C 1.886 176.481 174.600 -0.009 0.000 1.139 943 S CA 2.429 60.620 58.200 -0.014 0.000 1.176 943 S CB -0.880 62.311 63.200 -0.016 0.000 1.088 943 S HN 0.837 nan 8.310 nan 0.000 0.443 944 T N -0.497 114.057 114.554 0.000 0.000 2.809 944 T HA 0.166 4.515 4.350 -0.001 0.000 0.260 944 T C 0.913 175.619 174.700 0.011 0.000 1.039 944 T CA 0.557 62.660 62.100 0.004 0.000 1.141 944 T CB -0.635 68.236 68.868 0.005 0.000 0.869 944 T HN 0.601 nan 8.240 nan 0.000 0.437 945 E N 2.600 122.814 120.200 0.024 0.000 2.455 945 E HA 0.269 4.618 4.350 -0.001 0.000 0.259 945 E C -0.040 176.557 176.600 -0.006 0.000 1.245 945 E CA 0.287 56.699 56.400 0.020 0.000 1.013 945 E CB 0.163 29.875 29.700 0.021 0.000 0.978 945 E HN 0.720 nan 8.360 nan 0.000 0.479 946 N N -0.813 117.873 118.700 -0.023 0.000 3.217 946 N HA 0.391 5.131 4.740 -0.001 0.000 0.236 946 N C -0.665 174.813 175.510 -0.054 0.000 1.136 946 N CA -0.018 53.011 53.050 -0.036 0.000 0.997 946 N CB 1.010 39.482 38.487 -0.025 0.000 1.658 946 N HN 0.593 nan 8.380 nan 0.000 0.527 947 G N 0.361 109.123 108.800 -0.064 0.000 2.552 947 G HA2 0.374 4.334 3.960 -0.001 0.000 0.137 947 G HA3 0.374 4.334 3.960 -0.001 0.000 0.137 947 G C -1.836 173.018 174.900 -0.078 0.000 1.135 947 G CA -0.518 44.535 45.100 -0.079 0.000 1.047 947 G HN 0.612 nan 8.290 nan 0.000 0.501 948 I N 0.858 121.368 120.570 -0.100 0.000 2.582 948 I HA 0.464 4.634 4.170 -0.001 0.000 0.292 948 I C 0.566 176.624 176.117 -0.098 0.000 1.066 948 I CA -1.073 60.176 61.300 -0.085 0.000 1.053 948 I CB 2.151 40.108 38.000 -0.072 0.000 1.241 948 I HN 0.313 nan 8.210 nan 0.000 0.421 949 V N 3.672 123.543 119.914 -0.072 0.000 3.625 949 V HA -0.070 4.050 4.120 -0.001 0.000 0.302 949 V C 0.536 176.594 176.094 -0.060 0.000 1.112 949 V CA 0.947 63.210 62.300 -0.061 0.000 1.173 949 V CB 0.884 32.679 31.823 -0.048 0.000 1.096 949 V HN 1.046 nan 8.190 nan 0.000 0.486 950 D N -1.289 119.090 120.400 -0.034 0.000 2.204 950 D HA 0.127 4.767 4.640 -0.001 0.000 0.337 950 D C 0.028 176.353 176.300 0.042 0.000 1.054 950 D CA 0.046 54.045 54.000 -0.001 0.000 0.869 950 D CB 0.578 41.368 40.800 -0.018 0.000 1.548 950 D HN 0.540 nan 8.370 nan 0.000 0.530 951 Q N 0.881 120.700 119.800 0.032 0.000 2.825 951 Q HA 0.263 4.602 4.340 -0.001 0.000 0.219 951 Q C -1.925 174.084 176.000 0.014 0.000 0.942 951 Q CA -0.406 55.417 55.803 0.034 0.000 1.147 951 Q CB 1.158 29.937 28.738 0.068 0.000 1.723 951 Q HN -0.001 nan 8.270 nan 0.000 0.541 952 V N 3.536 123.446 119.914 -0.007 0.000 3.345 952 V HA 0.779 4.898 4.120 -0.001 0.000 0.308 952 V C -0.129 175.951 176.094 -0.023 0.000 1.168 952 V CA -0.703 61.578 62.300 -0.032 0.000 1.024 952 V CB 1.955 33.744 31.823 -0.056 0.000 1.211 952 V HN 0.768 nan 8.190 nan 0.000 0.461 953 L N -0.518 120.682 121.223 -0.039 0.000 2.982 953 L HA 0.581 4.920 4.340 -0.001 0.000 0.262 953 L C -1.816 175.045 176.870 -0.015 0.000 0.932 953 L CA -0.615 54.217 54.840 -0.013 0.000 1.058 953 L CB 1.409 43.475 42.059 0.012 0.000 1.665 953 L HN 0.334 nan 8.230 nan 0.000 0.499 954 V N 2.801 122.721 119.914 0.010 0.000 2.370 954 V HA 0.755 4.874 4.120 -0.001 0.000 0.279 954 V C 0.410 176.561 176.094 0.096 0.000 1.029 954 V CA 0.157 62.484 62.300 0.045 0.000 0.870 954 V CB 1.290 33.138 31.823 0.042 0.000 0.984 954 V HN 0.955 nan 8.190 nan 0.000 0.451 955 T N 2.580 117.235 114.554 0.169 0.000 2.804 955 T HA 0.575 4.924 4.350 -0.001 0.000 0.290 955 T C -0.279 174.557 174.700 0.226 0.000 1.099 955 T CA -0.601 61.616 62.100 0.196 0.000 1.011 955 T CB 2.127 71.153 68.868 0.262 0.000 1.291 955 T HN 0.620 nan 8.240 nan 0.000 0.523 956 T N 2.017 116.659 114.554 0.146 0.000 2.888 956 T HA 0.630 4.979 4.350 -0.001 0.000 0.284 956 T C -0.557 174.156 174.700 0.021 0.000 1.017 956 T CA -0.821 61.337 62.100 0.098 0.000 1.022 956 T CB 1.164 70.062 68.868 0.049 0.000 1.013 956 T HN 0.551 nan 8.240 nan 0.000 0.465 957 N N 0.955 119.643 118.700 -0.020 0.000 2.399 957 N HA 0.225 4.965 4.740 -0.001 0.000 0.280 957 N C 1.086 176.554 175.510 -0.070 0.000 1.008 957 N CA -0.450 52.519 53.050 -0.135 0.000 0.894 957 N CB 0.970 39.299 38.487 -0.263 0.000 1.273 957 N HN 0.698 nan 8.380 nan 0.000 0.486 958 Q N 1.191 120.954 119.800 -0.062 0.000 2.629 958 Q HA -0.379 3.961 4.340 -0.001 0.000 0.236 958 Q C 0.076 176.067 176.000 -0.015 0.000 1.166 958 Q CA 2.738 58.523 55.803 -0.029 0.000 1.024 958 Q CB -0.631 28.090 28.738 -0.027 0.000 0.949 958 Q HN 0.759 nan 8.270 nan 0.000 0.570 959 D N -0.898 119.491 120.400 -0.019 0.000 2.403 959 D HA -0.012 4.627 4.640 -0.001 0.000 0.227 959 D C 1.152 177.452 176.300 -0.000 0.000 0.995 959 D CA 1.328 55.323 54.000 -0.008 0.000 0.928 959 D CB -0.068 40.723 40.800 -0.014 0.000 0.887 959 D HN 0.667 nan 8.370 nan 0.000 0.529 960 G N 0.599 109.401 108.800 0.003 0.000 2.132 960 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.234 960 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.234 960 G C 0.181 175.096 174.900 0.024 0.000 0.989 960 G CA -0.192 44.917 45.100 0.014 0.000 0.676 960 G HN 0.303 nan 8.290 nan 0.000 0.522 961 L N 0.106 121.345 121.223 0.027 0.000 2.350 961 L HA 0.429 4.768 4.340 -0.001 0.000 0.275 961 L C 0.967 177.901 176.870 0.106 0.000 1.099 961 L CA -0.695 54.172 54.840 0.044 0.000 0.808 961 L CB 0.853 42.936 42.059 0.040 0.000 1.149 961 L HN -0.021 nan 8.230 nan 0.000 0.442 962 K N 2.632 123.094 120.400 0.104 0.000 2.378 962 K HA 0.190 4.509 4.320 -0.001 0.000 0.288 962 K C -0.887 175.928 176.600 0.358 0.000 1.057 962 K CA 0.007 56.421 56.287 0.211 0.000 0.971 962 K CB 0.385 33.007 32.500 0.203 0.000 0.975 962 K HN 0.244 nan 8.250 nan 0.000 0.475 963 F N 3.711 123.764 119.950 0.171 0.000 2.436 963 F HA 0.388 4.915 4.527 -0.000 0.000 0.340 963 F C -0.689 175.210 175.800 0.164 0.000 1.113 963 F CA -0.848 57.249 58.000 0.162 0.000 1.022 963 F CB 1.136 40.193 39.000 0.095 0.000 1.128 963 F HN 0.095 nan 8.300 nan 0.000 0.466 964 V N 6.057 125.783 119.914 -0.313 0.000 2.733 964 V HA 0.387 4.506 4.120 -0.001 0.000 0.306 964 V C -1.030 174.820 176.094 -0.406 0.000 1.084 964 V CA -1.032 61.093 62.300 -0.291 0.000 0.905 964 V CB 2.309 33.977 31.823 -0.258 0.000 1.010 964 V HN 0.650 nan 8.190 nan 0.000 0.424 965 K N 3.540 123.768 120.400 -0.288 0.000 2.376 965 K HA 0.785 5.105 4.320 -0.001 0.000 0.257 965 K C -1.235 175.309 176.600 -0.093 0.000 0.939 965 K CA -0.581 55.589 56.287 -0.195 0.000 0.809 965 K CB 2.457 34.868 32.500 -0.148 0.000 1.121 965 K HN 0.453 nan 8.250 nan 0.000 0.425 966 V N 2.543 122.430 119.914 -0.045 0.000 2.769 966 V HA 0.534 4.654 4.120 -0.001 0.000 0.312 966 V C -0.285 175.831 176.094 0.036 0.000 1.058 966 V CA -0.997 61.300 62.300 -0.006 0.000 0.952 966 V CB 1.789 33.613 31.823 0.002 0.000 1.019 966 V HN 0.709 nan 8.190 nan 0.000 0.445 967 R N 1.721 122.240 120.500 0.032 0.000 2.538 967 R HA 0.745 5.084 4.340 -0.001 0.000 0.292 967 R C -2.038 174.256 176.300 -0.011 0.000 1.008 967 R CA -0.378 55.740 56.100 0.029 0.000 0.896 967 R CB 2.160 32.516 30.300 0.094 0.000 1.187 967 R HN 0.572 nan 8.270 nan 0.000 0.440 968 V N 4.621 124.487 119.914 -0.081 0.000 2.513 968 V HA 0.541 4.660 4.120 -0.001 0.000 0.299 968 V C -0.177 175.697 176.094 -0.366 0.000 1.035 968 V CA -0.764 61.439 62.300 -0.161 0.000 0.889 968 V CB 1.662 33.421 31.823 -0.106 0.000 0.988 968 V HN 0.651 nan 8.190 nan 0.000 0.440 969 R N 2.704 122.949 120.500 -0.425 0.000 2.562 969 R HA 0.700 5.040 4.340 -0.001 0.000 0.298 969 R C -1.173 174.886 176.300 -0.402 0.000 0.961 969 R CA -0.166 55.518 56.100 -0.694 0.000 0.881 969 R CB 1.991 31.754 30.300 -0.896 0.000 1.159 969 R HN 0.798 nan 8.270 nan 0.000 0.450 970 T N 1.763 116.112 114.554 -0.341 0.000 2.906 970 T HA 0.348 4.697 4.350 -0.001 0.000 0.295 970 T C -0.821 173.874 174.700 -0.010 0.000 1.061 970 T CA -0.500 61.522 62.100 -0.131 0.000 1.000 970 T CB 1.915 70.734 68.868 -0.081 0.000 1.103 970 T HN 0.445 nan 8.240 nan 0.000 0.486 971 T N 3.087 117.656 114.554 0.025 0.000 2.756 971 T HA 0.387 4.736 4.350 -0.001 0.000 0.290 971 T C -0.282 174.414 174.700 -0.005 0.000 0.985 971 T CA -0.668 61.462 62.100 0.049 0.000 0.955 971 T CB 0.438 69.359 68.868 0.088 0.000 0.930 971 T HN 0.322 nan 8.240 nan 0.000 0.451 972 K N 3.674 124.059 120.400 -0.025 0.000 2.240 972 K HA 0.507 4.826 4.320 -0.001 0.000 0.271 972 K C -0.294 176.245 176.600 -0.102 0.000 1.018 972 K CA -0.522 55.739 56.287 -0.043 0.000 0.874 972 K CB 1.533 34.020 32.500 -0.022 0.000 1.098 972 K HN 0.517 nan 8.250 nan 0.000 0.458 973 I N 5.072 125.594 120.570 -0.079 0.000 2.428 973 I HA 0.222 4.391 4.170 -0.001 0.000 0.296 973 I C -1.807 174.293 176.117 -0.029 0.000 0.985 973 I CA -2.494 58.762 61.300 -0.073 0.000 1.260 973 I CB 1.297 39.264 38.000 -0.054 0.000 1.389 973 I HN 0.372 nan 8.210 nan 0.000 0.484 974 P HA 0.032 nan 4.420 nan 0.000 0.267 974 P C -1.007 176.311 177.300 0.030 0.000 1.205 974 P CA 0.145 63.289 63.100 0.073 0.000 0.765 974 P CB 1.260 33.090 31.700 0.217 0.000 0.828 975 Q N 2.123 121.917 119.800 -0.010 0.000 2.990 975 Q HA 0.378 4.717 4.340 -0.001 0.000 0.255 975 Q C 1.235 177.221 176.000 -0.023 0.000 1.040 975 Q CA -0.890 54.900 55.803 -0.021 0.000 0.897 975 Q CB 1.354 30.066 28.738 -0.043 0.000 1.429 975 Q HN 0.244 nan 8.270 nan 0.000 0.497 976 I N -0.034 120.518 120.570 -0.030 0.000 2.500 976 I HA -0.048 4.121 4.170 -0.001 0.000 0.252 976 I C 1.649 177.737 176.117 -0.048 0.000 1.142 976 I CA 1.250 62.534 61.300 -0.027 0.000 1.451 976 I CB -0.161 37.826 38.000 -0.021 0.000 1.093 976 I HN 0.813 nan 8.210 nan 0.000 0.430 977 G N -0.008 108.749 108.800 -0.071 0.000 2.623 977 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.214 977 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.214 977 G C 0.179 174.988 174.900 -0.151 0.000 1.138 977 G CA -0.145 44.899 45.100 -0.094 0.000 0.794 977 G HN 0.272 nan 8.290 nan 0.000 0.535 978 D N 0.547 120.827 120.400 -0.201 0.000 2.506 978 D HA 0.196 4.835 4.640 -0.001 0.000 0.234 978 D C 0.447 176.439 176.300 -0.513 0.000 1.143 978 D CA 0.657 54.434 54.000 -0.371 0.000 0.871 978 D CB 0.937 41.472 40.800 -0.442 0.000 1.190 978 D HN 0.079 nan 8.370 nan 0.000 0.459 979 K N 1.547 121.599 120.400 -0.580 0.000 2.143 979 K HA 0.534 4.853 4.320 -0.001 0.000 0.272 979 K C -0.999 175.111 176.600 -0.817 0.000 1.001 979 K CA -0.406 55.589 56.287 -0.486 0.000 0.915 979 K CB 0.647 32.984 32.500 -0.271 0.000 1.047 979 K HN 0.350 nan 8.250 nan 0.000 0.458 980 F N 0.430 120.307 119.950 -0.121 0.000 2.664 980 F HA 0.685 5.211 4.527 -0.001 0.000 0.317 980 F C -0.654 175.166 175.800 0.034 0.000 1.108 980 F CA -0.943 56.982 58.000 -0.126 0.000 0.957 980 F CB 2.476 41.323 39.000 -0.254 0.000 1.365 980 F HN 0.577 nan 8.300 nan 0.000 0.475 981 A N 0.714 123.792 122.820 0.431 0.000 2.590 981 A HA 0.588 4.908 4.320 -0.001 0.000 0.296 981 A C -0.724 177.009 177.584 0.249 0.000 1.050 981 A CA -0.313 51.952 52.037 0.380 0.000 0.697 981 A CB 0.975 20.083 19.000 0.180 0.000 1.277 981 A HN 0.866 nan 8.150 nan 0.000 0.411 982 S N 1.057 116.728 115.700 -0.048 0.000 2.393 982 S HA 0.551 5.021 4.470 -0.001 0.000 0.255 982 S C 0.370 174.910 174.600 -0.100 0.000 1.210 982 S CA -0.196 57.722 58.200 -0.471 0.000 1.013 982 S CB 0.198 63.169 63.200 -0.382 0.000 1.055 982 S HN 0.680 nan 8.310 nan 0.000 0.483 983 R N 0.387 120.854 120.500 -0.055 0.000 2.997 983 R HA 0.388 4.727 4.340 -0.001 0.000 0.358 983 R C -0.491 175.518 176.300 -0.485 0.000 1.191 983 R CA -0.201 55.774 56.100 -0.209 0.000 1.113 983 R CB -0.045 30.103 30.300 -0.253 0.000 1.433 983 R HN 0.616 nan 8.270 nan 0.000 0.584 984 H N -0.716 118.384 119.070 0.049 0.000 3.204 984 H HA 0.140 4.696 4.556 -0.001 0.000 0.240 984 H C 0.577 175.932 175.328 0.046 0.000 1.259 984 H CA 0.038 56.120 56.048 0.057 0.000 0.991 984 H CB 1.446 31.273 29.762 0.108 0.000 2.583 984 H HN 0.521 nan 8.280 nan 0.000 0.638 985 G N 2.156 111.040 108.800 0.140 0.000 2.283 985 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.280 985 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.280 985 G C 0.711 175.709 174.900 0.163 0.000 1.029 985 G CA 0.629 45.835 45.100 0.177 0.000 0.840 985 G HN 0.358 nan 8.290 nan 0.000 0.505 986 Q N 0.302 120.195 119.800 0.156 0.000 2.253 986 Q HA 0.182 4.521 4.340 -0.001 0.000 0.210 986 Q C 1.481 177.580 176.000 0.165 0.000 0.907 986 Q CA 0.244 56.131 55.803 0.139 0.000 0.948 986 Q CB -0.096 28.734 28.738 0.153 0.000 1.033 986 Q HN 0.805 nan 8.270 nan 0.000 0.471 987 K N -0.841 119.645 120.400 0.142 0.000 2.548 987 K HA 0.185 4.505 4.320 -0.001 0.000 0.277 987 K C 0.101 176.758 176.600 0.094 0.000 1.001 987 K CA 0.941 57.296 56.287 0.112 0.000 1.102 987 K CB 0.071 32.608 32.500 0.061 0.000 0.848 987 K HN 0.154 nan 8.250 nan 0.000 0.487 988 G N 1.435 110.289 108.800 0.089 0.000 2.667 988 G HA2 0.417 4.377 3.960 -0.001 0.000 0.294 988 G HA3 0.417 4.377 3.960 -0.001 0.000 0.294 988 G C -1.147 173.775 174.900 0.036 0.000 1.467 988 G CA -0.538 44.598 45.100 0.060 0.000 0.852 988 G HN 0.811 nan 8.290 nan 0.000 0.521 989 T N -1.324 113.231 114.554 0.000 0.000 2.940 989 T HA 0.750 5.099 4.350 -0.001 0.000 0.288 989 T C 0.510 175.217 174.700 0.010 0.000 1.045 989 T CA -0.785 61.295 62.100 -0.033 0.000 1.018 989 T CB 1.231 70.047 68.868 -0.086 0.000 1.151 989 T HN 0.529 nan 8.240 nan 0.000 0.529 990 I N 1.014 121.592 120.570 0.014 0.000 2.938 990 I HA 0.378 4.547 4.170 -0.001 0.000 0.285 990 I C 1.526 177.659 176.117 0.027 0.000 1.182 990 I CA 0.152 61.478 61.300 0.045 0.000 1.388 990 I CB 0.636 38.669 38.000 0.056 0.000 1.390 990 I HN 1.017 nan 8.210 nan 0.000 0.600 991 G N 5.213 114.049 108.800 0.060 0.000 2.649 991 G HA2 0.366 4.325 3.960 -0.001 0.000 0.199 991 G HA3 0.366 4.325 3.960 -0.001 0.000 0.199 991 G C 0.028 175.005 174.900 0.129 0.000 1.085 991 G CA 0.204 45.352 45.100 0.081 0.000 0.804 991 G HN 0.512 nan 8.290 nan 0.000 0.671 992 I N 1.114 121.730 120.570 0.076 0.000 2.793 992 I HA 0.371 4.540 4.170 -0.001 0.000 0.295 992 I C -1.381 174.652 176.117 -0.139 0.000 1.610 992 I CA -0.738 60.525 61.300 -0.061 0.000 0.986 992 I CB 2.170 40.062 38.000 -0.180 0.000 1.402 992 I HN 0.116 nan 8.210 nan 0.000 0.500 993 T N 2.022 116.451 114.554 -0.209 0.000 2.888 993 T HA 0.693 5.042 4.350 -0.001 0.000 0.284 993 T C -0.982 173.580 174.700 -0.230 0.000 1.017 993 T CA -0.470 61.557 62.100 -0.122 0.000 1.022 993 T CB 1.576 70.417 68.868 -0.045 0.000 1.013 993 T HN 0.470 nan 8.240 nan 0.000 0.465 994 Y N -0.257 120.056 120.300 0.020 0.000 2.665 994 Y HA 0.694 5.244 4.550 -0.000 0.000 0.336 994 Y C 0.618 176.545 175.900 0.045 0.000 1.085 994 Y CA -1.537 56.583 58.100 0.033 0.000 1.096 994 Y CB 2.308 40.803 38.460 0.058 0.000 1.301 994 Y HN 0.521 nan 8.280 nan 0.000 0.493 995 R N -0.297 120.368 120.500 0.277 0.000 2.902 995 R HA 0.444 4.783 4.340 -0.001 0.000 0.258 995 R C 0.728 177.121 176.300 0.155 0.000 1.071 995 R CA -0.916 55.284 56.100 0.168 0.000 1.024 995 R CB 1.352 31.729 30.300 0.128 0.000 1.184 995 R HN 0.659 nan 8.270 nan 0.000 0.492 996 R N 0.824 121.398 120.500 0.124 0.000 2.185 996 R HA -0.232 4.107 4.340 -0.001 0.000 0.247 996 R C 1.237 177.632 176.300 0.158 0.000 1.159 996 R CA 1.750 57.928 56.100 0.129 0.000 0.988 996 R CB -0.143 30.218 30.300 0.100 0.000 0.871 996 R HN 0.542 nan 8.270 nan 0.000 0.458 997 E N 0.563 120.850 120.200 0.145 0.000 2.031 997 E HA -0.159 4.191 4.350 -0.001 0.000 0.193 997 E C 1.434 178.150 176.600 0.194 0.000 0.994 997 E CA 1.428 57.924 56.400 0.160 0.000 0.800 997 E CB -0.143 29.636 29.700 0.131 0.000 0.752 997 E HN 0.321 nan 8.360 nan 0.000 0.447 998 D N -0.342 120.172 120.400 0.189 0.000 2.323 998 D HA -0.002 4.638 4.640 -0.001 0.000 0.209 998 D C 0.462 176.761 176.300 -0.001 0.000 0.973 998 D CA 0.184 54.291 54.000 0.179 0.000 0.874 998 D CB -0.032 40.908 40.800 0.233 0.000 0.930 998 D HN 0.148 nan 8.370 nan 0.000 0.521 999 M N 2.275 121.909 119.600 0.057 0.000 2.238 999 M HA 0.145 4.624 4.480 -0.001 0.000 0.347 999 M C -2.387 173.884 176.300 -0.049 0.000 1.173 999 M CA -1.682 53.622 55.300 0.006 0.000 1.147 999 M CB 0.881 33.515 32.600 0.058 0.000 1.547 999 M HN -0.259 nan 8.290 nan 0.000 0.455 1000 P HA 0.190 nan 4.420 nan 0.000 0.282 1000 P C -1.497 175.703 177.300 -0.167 0.000 1.262 1000 P CA -0.148 62.699 63.100 -0.421 0.000 0.773 1000 P CB -0.056 31.130 31.700 -0.857 0.000 0.879 1001 F N 0.265 120.250 119.950 0.058 0.000 2.575 1001 F HA 0.759 5.285 4.527 -0.001 0.000 0.330 1001 F C -0.197 175.733 175.800 0.216 0.000 1.056 1001 F CA -1.662 56.419 58.000 0.136 0.000 0.964 1001 F CB 0.879 39.937 39.000 0.097 0.000 1.258 1001 F HN 0.214 nan 8.300 nan 0.000 0.484 1002 T N 1.356 116.236 114.554 0.544 0.000 2.770 1002 T HA 0.537 4.886 4.350 -0.001 0.000 0.283 1002 T C 1.084 176.007 174.700 0.372 0.000 0.988 1002 T CA -0.054 62.282 62.100 0.393 0.000 0.957 1002 T CB 0.884 69.809 68.868 0.094 0.000 0.930 1002 T HN 1.226 nan 8.240 nan 0.000 0.443 1003 A N 4.571 127.670 122.820 0.465 0.000 1.941 1003 A HA -0.279 4.041 4.320 -0.001 0.000 0.233 1003 A C 2.141 179.770 177.584 0.074 0.000 1.649 1003 A CA 2.633 54.812 52.037 0.236 0.000 0.726 1003 A CB -1.172 17.992 19.000 0.273 0.000 0.843 1003 A HN 0.933 nan 8.150 nan 0.000 0.511 1004 E N -1.993 118.263 120.200 0.092 0.000 2.169 1004 E HA -0.189 4.160 4.350 -0.001 0.000 0.202 1004 E C 1.704 178.302 176.600 -0.004 0.000 1.016 1004 E CA 1.863 58.293 56.400 0.049 0.000 0.817 1004 E CB -0.417 29.332 29.700 0.081 0.000 0.736 1004 E HN 1.062 nan 8.360 nan 0.000 0.462 1005 G N 0.320 109.113 108.800 -0.012 0.000 2.909 1005 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.198 1005 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.198 1005 G C 0.571 175.471 174.900 0.000 0.000 1.124 1005 G CA -0.079 44.982 45.100 -0.065 0.000 0.796 1005 G HN 0.259 nan 8.290 nan 0.000 0.489 1006 I N 0.729 121.299 120.570 -0.001 0.000 3.259 1006 I HA 0.341 4.510 4.170 -0.001 0.000 0.312 1006 I C 0.629 176.838 176.117 0.153 0.000 1.211 1006 I CA 0.058 61.367 61.300 0.014 0.000 1.431 1006 I CB 0.112 38.027 38.000 -0.143 0.000 1.304 1006 I HN 0.412 nan 8.210 nan 0.000 0.572 1007 V N 4.725 124.784 119.914 0.242 0.000 3.178 1007 V HA 0.570 4.689 4.120 -0.001 0.000 0.302 1007 V C -2.349 173.940 176.094 0.325 0.000 1.262 1007 V CA -1.431 61.069 62.300 0.333 0.000 1.030 1007 V CB 2.624 34.575 31.823 0.213 0.000 1.074 1007 V HN 0.886 nan 8.190 nan 0.000 0.438 1008 P HA 0.384 nan 4.420 nan 0.000 0.276 1008 P C -0.745 176.541 177.300 -0.025 0.000 1.261 1008 P CA 0.042 63.095 63.100 -0.078 0.000 0.800 1008 P CB 1.243 32.682 31.700 -0.433 0.000 1.066 1009 D N -0.711 119.665 120.400 -0.039 0.000 2.422 1009 D HA 0.145 4.784 4.640 -0.001 0.000 0.218 1009 D C 0.289 176.555 176.300 -0.056 0.000 1.047 1009 D CA 0.691 54.679 54.000 -0.021 0.000 0.885 1009 D CB 0.446 41.237 40.800 -0.015 0.000 1.035 1009 D HN 0.108 nan 8.370 nan 0.000 0.502 1010 L N 0.410 121.570 121.223 -0.106 0.000 2.303 1010 L HA 0.520 4.860 4.340 -0.001 0.000 0.256 1010 L C -1.178 175.604 176.870 -0.145 0.000 1.034 1010 L CA -0.885 53.869 54.840 -0.143 0.000 0.832 1010 L CB 2.365 44.288 42.059 -0.226 0.000 1.403 1010 L HN -0.159 nan 8.230 nan 0.000 0.419 1011 I N 4.003 124.510 120.570 -0.105 0.000 2.743 1011 I HA 0.253 4.423 4.170 -0.001 0.000 0.268 1011 I C -0.296 175.803 176.117 -0.029 0.000 1.441 1011 I CA -0.263 60.980 61.300 -0.094 0.000 0.912 1011 I CB 0.995 38.956 38.000 -0.065 0.000 1.410 1011 I HN 0.470 nan 8.210 nan 0.000 0.540 1012 I N 0.198 120.759 120.570 -0.015 0.000 2.519 1012 I HA 0.366 4.536 4.170 -0.001 0.000 0.287 1012 I C 0.439 176.570 176.117 0.022 0.000 1.047 1012 I CA -0.021 61.296 61.300 0.028 0.000 1.381 1012 I CB 0.975 39.023 38.000 0.079 0.000 1.417 1012 I HN 0.402 nan 8.210 nan 0.000 0.540 1013 N N 8.093 126.817 118.700 0.040 0.000 2.468 1013 N HA 0.107 4.847 4.740 -0.001 0.000 0.265 1013 N C -1.444 174.058 175.510 -0.014 0.000 1.199 1013 N CA -1.376 51.697 53.050 0.039 0.000 0.928 1013 N CB 1.143 39.693 38.487 0.105 0.000 1.059 1013 N HN 0.532 nan 8.380 nan 0.000 0.467 1014 P HA -0.205 nan 4.420 nan 0.000 0.217 1014 P C 0.833 178.012 177.300 -0.202 0.000 1.148 1014 P CA 1.512 64.499 63.100 -0.188 0.000 0.834 1014 P CB -0.014 31.521 31.700 -0.274 0.000 0.783 1015 H N 0.344 119.401 119.070 -0.021 0.000 2.457 1015 H HA 0.024 4.579 4.556 -0.001 0.000 0.297 1015 H C 1.639 176.946 175.328 -0.034 0.000 1.092 1015 H CA 1.329 57.363 56.048 -0.023 0.000 1.309 1015 H CB -0.675 29.079 29.762 -0.012 0.000 1.382 1015 H HN 0.162 nan 8.280 nan 0.000 0.535 1016 A N 0.897 123.752 122.820 0.059 0.000 2.223 1016 A HA 0.049 4.368 4.320 -0.001 0.000 0.222 1016 A C 1.521 179.073 177.584 -0.054 0.000 1.317 1016 A CA 0.340 52.382 52.037 0.008 0.000 0.985 1016 A CB -0.597 18.403 19.000 0.000 0.000 0.858 1016 A HN 0.162 nan 8.150 nan 0.000 0.496 1017 I N -1.185 119.351 120.570 -0.057 0.000 3.818 1017 I HA 0.108 4.278 4.170 -0.001 0.000 0.242 1017 I C -0.854 175.226 176.117 -0.062 0.000 1.111 1017 I CA -0.228 61.016 61.300 -0.093 0.000 1.576 1017 I CB -1.767 36.154 38.000 -0.131 0.000 1.572 1017 I HN 0.008 nan 8.210 nan 0.000 0.450 1018 P HA -0.233 nan 4.420 nan 0.000 0.226 1018 P C 1.655 178.943 177.300 -0.019 0.000 1.154 1018 P CA 2.912 65.997 63.100 -0.026 0.000 0.918 1018 P CB -0.008 31.691 31.700 -0.002 0.000 0.790 1019 S N -3.201 112.491 115.700 -0.013 0.000 2.492 1019 S HA 0.117 4.587 4.470 -0.001 0.000 0.218 1019 S C 1.808 176.393 174.600 -0.026 0.000 1.016 1019 S CA -0.191 58.000 58.200 -0.015 0.000 0.916 1019 S CB -0.339 62.858 63.200 -0.005 0.000 0.791 1019 S HN -0.033 nan 8.310 nan 0.000 0.513 1020 R N 1.247 121.727 120.500 -0.034 0.000 2.092 1020 R HA 0.219 4.558 4.340 -0.001 0.000 0.231 1020 R C 0.760 177.031 176.300 -0.049 0.000 1.119 1020 R CA 0.671 56.743 56.100 -0.047 0.000 0.970 1020 R CB -0.978 29.290 30.300 -0.054 0.000 0.864 1020 R HN 0.508 nan 8.270 nan 0.000 0.440 1021 M N 1.157 120.729 119.600 -0.046 0.000 2.253 1021 M HA -0.169 4.310 4.480 -0.001 0.000 0.195 1021 M C -0.226 176.058 176.300 -0.026 0.000 0.512 1021 M CA 0.905 56.183 55.300 -0.036 0.000 0.442 1021 M CB -1.647 30.939 32.600 -0.024 0.000 1.189 1021 M HN 0.083 nan 8.290 nan 0.000 0.923 1022 T N -0.737 113.791 114.554 -0.043 0.000 2.853 1022 T HA 0.534 4.883 4.350 -0.001 0.000 0.317 1022 T C 0.711 175.377 174.700 -0.058 0.000 1.059 1022 T CA -0.645 61.443 62.100 -0.021 0.000 0.954 1022 T CB 0.705 69.555 68.868 -0.031 0.000 0.994 1022 T HN 0.211 nan 8.240 nan 0.000 0.479 1023 V N 4.686 124.593 119.914 -0.012 0.000 2.878 1023 V HA 0.131 4.251 4.120 -0.001 0.000 0.250 1023 V C 2.882 178.947 176.094 -0.049 0.000 1.075 1023 V CA 1.272 63.543 62.300 -0.047 0.000 1.096 1023 V CB -0.978 30.828 31.823 -0.028 0.000 0.724 1023 V HN 0.920 nan 8.190 nan 0.000 0.467 1024 A N 0.537 123.383 122.820 0.044 0.000 1.884 1024 A HA -0.370 3.949 4.320 -0.001 0.000 0.219 1024 A C 2.249 179.811 177.584 -0.037 0.000 1.197 1024 A CA 2.525 54.664 52.037 0.170 0.000 0.637 1024 A CB -1.088 18.186 19.000 0.456 0.000 0.827 1024 A HN 0.686 nan 8.150 nan 0.000 0.450 1025 H N -0.051 118.517 119.070 -0.837 0.000 2.319 1025 H HA -0.134 4.422 4.556 -0.001 0.000 0.297 1025 H C 2.000 177.194 175.328 -0.223 0.000 1.097 1025 H CA 2.092 57.577 56.048 -0.938 0.000 1.285 1025 H CB -0.498 28.718 29.762 -0.910 0.000 1.368 1025 H HN 0.425 nan 8.280 nan 0.000 0.495 1026 L N 0.131 121.396 121.223 0.070 0.000 2.042 1026 L HA -0.201 4.139 4.340 -0.001 0.000 0.210 1026 L C 2.890 179.823 176.870 0.106 0.000 1.076 1026 L CA 1.294 56.157 54.840 0.038 0.000 0.749 1026 L CB -0.277 41.681 42.059 -0.168 0.000 0.893 1026 L HN 0.284 nan 8.230 nan 0.000 0.432 1027 I N -0.610 119.992 120.570 0.054 0.000 2.202 1027 I HA -0.311 3.858 4.170 -0.001 0.000 0.242 1027 I C 2.497 178.761 176.117 0.245 0.000 1.091 1027 I CA 1.287 62.645 61.300 0.098 0.000 1.368 1027 I CB -0.447 37.478 38.000 -0.125 0.000 1.058 1027 I HN 0.368 nan 8.210 nan 0.000 0.410 1028 E N 0.642 121.005 120.200 0.271 0.000 2.169 1028 E HA -0.367 3.982 4.350 -0.001 0.000 0.202 1028 E C 2.349 179.013 176.600 0.105 0.000 1.016 1028 E CA 2.136 58.642 56.400 0.176 0.000 0.817 1028 E CB -0.217 29.527 29.700 0.073 0.000 0.736 1028 E HN 0.595 nan 8.360 nan 0.000 0.462 1029 C N -0.087 119.280 119.300 0.111 0.000 2.413 1029 C HA -0.162 4.297 4.460 -0.001 0.000 0.277 1029 C C 2.644 177.660 174.990 0.043 0.000 1.228 1029 C CA 1.080 60.136 59.018 0.064 0.000 1.731 1029 C CB -1.204 26.622 27.740 0.144 0.000 2.042 1029 C HN 0.592 nan 8.230 nan 0.000 0.468 1030 L N 0.558 121.878 121.223 0.161 0.000 1.989 1030 L HA -0.060 4.279 4.340 -0.001 0.000 0.211 1030 L C 2.351 179.273 176.870 0.087 0.000 1.071 1030 L CA 1.969 56.881 54.840 0.120 0.000 0.749 1030 L CB -1.141 41.032 42.059 0.189 0.000 0.890 1030 L HN 0.431 nan 8.230 nan 0.000 0.431 1031 L N -1.362 119.943 121.223 0.137 0.000 2.043 1031 L HA -0.222 4.117 4.340 -0.001 0.000 0.212 1031 L C 2.437 179.338 176.870 0.053 0.000 1.075 1031 L CA 2.077 56.997 54.840 0.132 0.000 0.752 1031 L CB -0.926 41.276 42.059 0.240 0.000 0.891 1031 L HN 0.267 nan 8.230 nan 0.000 0.432 1032 S N -0.762 114.954 115.700 0.026 0.000 2.371 1032 S HA -0.157 4.312 4.470 -0.001 0.000 0.224 1032 S C 1.914 176.483 174.600 -0.053 0.000 1.029 1032 S CA 1.161 59.349 58.200 -0.021 0.000 0.978 1032 S CB -0.276 62.910 63.200 -0.023 0.000 0.833 1032 S HN 0.470 nan 8.310 nan 0.000 0.466 1033 K N 1.057 121.415 120.400 -0.069 0.000 2.281 1033 K HA -0.064 4.255 4.320 -0.001 0.000 0.203 1033 K C 1.717 178.236 176.600 -0.135 0.000 1.046 1033 K CA 0.799 57.007 56.287 -0.132 0.000 0.938 1033 K CB -0.077 32.320 32.500 -0.171 0.000 0.737 1033 K HN 0.154 nan 8.250 nan 0.000 0.458 1034 V N 0.632 120.499 119.914 -0.077 0.000 2.284 1034 V HA -0.076 4.043 4.120 -0.001 0.000 0.236 1034 V C 1.879 177.912 176.094 -0.101 0.000 1.044 1034 V CA 1.665 63.917 62.300 -0.079 0.000 1.019 1034 V CB -0.287 31.544 31.823 0.013 0.000 0.657 1034 V HN 0.429 nan 8.190 nan 0.000 0.465 1035 A N -0.425 122.369 122.820 -0.043 0.000 2.292 1035 A HA 0.084 4.404 4.320 -0.001 0.000 0.209 1035 A C 1.966 179.512 177.584 -0.062 0.000 1.209 1035 A CA 1.538 53.552 52.037 -0.038 0.000 0.746 1035 A CB -0.629 18.359 19.000 -0.020 0.000 0.764 1035 A HN 0.623 nan 8.150 nan 0.000 0.492 1036 A N -0.995 121.769 122.820 -0.092 0.000 1.997 1036 A HA 0.341 4.661 4.320 -0.001 0.000 0.212 1036 A C 1.904 179.426 177.584 -0.104 0.000 1.178 1036 A CA 0.712 52.693 52.037 -0.093 0.000 0.698 1036 A CB -0.136 18.801 19.000 -0.106 0.000 0.842 1036 A HN 0.439 nan 8.150 nan 0.000 0.458 1037 L N -0.083 121.040 121.223 -0.167 0.000 2.145 1037 L HA -0.042 4.298 4.340 -0.001 0.000 0.201 1037 L C 2.860 179.664 176.870 -0.110 0.000 1.075 1037 L CA 1.388 56.106 54.840 -0.204 0.000 0.773 1037 L CB -0.272 41.482 42.059 -0.508 0.000 0.936 1037 L HN 0.504 nan 8.230 nan 0.000 0.451 1038 S N -0.276 115.365 115.700 -0.098 0.000 2.436 1038 S HA 0.025 4.495 4.470 -0.001 0.000 0.228 1038 S C 1.656 176.272 174.600 0.026 0.000 1.014 1038 S CA 0.556 58.788 58.200 0.054 0.000 0.950 1038 S CB -0.120 63.145 63.200 0.108 0.000 0.784 1038 S HN 0.516 nan 8.310 nan 0.000 0.504 1039 G N 1.584 110.378 108.800 -0.010 0.000 2.160 1039 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.251 1039 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.251 1039 G C -0.154 174.742 174.900 -0.006 0.000 1.008 1039 G CA 0.171 45.264 45.100 -0.013 0.000 0.724 1039 G HN 0.546 nan 8.290 nan 0.000 0.514 1040 N N 1.022 119.723 118.700 0.001 0.000 2.817 1040 N HA 0.210 4.949 4.740 -0.001 0.000 0.234 1040 N C 0.356 175.862 175.510 -0.007 0.000 1.066 1040 N CA -0.235 52.818 53.050 0.006 0.000 0.926 1040 N CB 0.710 39.213 38.487 0.028 0.000 1.176 1040 N HN 0.639 nan 8.380 nan 0.000 0.506 1041 E N 1.409 121.594 120.200 -0.025 0.000 3.506 1041 E HA -0.147 4.203 4.350 -0.001 0.000 0.233 1041 E C 0.476 177.055 176.600 -0.035 0.000 0.936 1041 E CA -0.089 56.285 56.400 -0.043 0.000 0.931 1041 E CB -0.088 29.579 29.700 -0.055 0.000 0.864 1041 E HN 0.494 nan 8.360 nan 0.000 0.551 1042 G N 4.243 113.025 108.800 -0.029 0.000 2.562 1042 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.233 1042 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.233 1042 G C -0.388 174.492 174.900 -0.033 0.000 1.266 1042 G CA -0.170 44.925 45.100 -0.007 0.000 0.852 1042 G HN 0.671 nan 8.290 nan 0.000 0.581 1043 D N 0.014 120.417 120.400 0.006 0.000 2.344 1043 D HA 0.548 5.187 4.640 -0.001 0.000 0.239 1043 D C 0.480 176.769 176.300 -0.018 0.000 1.064 1043 D CA -0.164 53.825 54.000 -0.018 0.000 0.829 1043 D CB 1.348 42.169 40.800 0.035 0.000 1.129 1043 D HN 0.370 nan 8.370 nan 0.000 0.506 1044 A N 2.728 125.399 122.820 -0.249 0.000 2.589 1044 A HA 0.288 4.607 4.320 -0.001 0.000 0.283 1044 A C 0.615 177.937 177.584 -0.438 0.000 1.187 1044 A CA -0.394 51.177 52.037 -0.777 0.000 0.957 1044 A CB 0.049 18.142 19.000 -1.511 0.000 1.175 1044 A HN 0.440 nan 8.150 nan 0.000 0.532 1045 S N 2.317 117.957 115.700 -0.100 0.000 2.550 1045 S HA 0.168 4.638 4.470 -0.001 0.000 0.285 1045 S C -1.474 173.203 174.600 0.129 0.000 1.326 1045 S CA -0.421 57.787 58.200 0.014 0.000 1.037 1045 S CB 0.332 63.595 63.200 0.104 0.000 0.838 1045 S HN 0.347 nan 8.310 nan 0.000 0.519 1046 P HA -0.175 nan 4.420 nan 0.000 0.227 1046 P C -0.222 177.061 177.300 -0.030 0.000 1.188 1046 P CA 0.963 63.963 63.100 -0.167 0.000 0.970 1046 P CB -0.056 31.442 31.700 -0.335 0.000 0.581 1047 F N -0.986 119.090 119.950 0.210 0.000 2.502 1047 F HA 0.411 4.937 4.527 -0.001 0.000 0.371 1047 F C 1.221 177.148 175.800 0.212 0.000 1.083 1047 F CA -0.192 57.903 58.000 0.159 0.000 1.174 1047 F CB -1.293 37.748 39.000 0.067 0.000 1.096 1047 F HN 0.128 nan 8.300 nan 0.000 0.545 1048 T N -1.891 112.889 114.554 0.375 0.000 2.618 1048 T HA 0.336 4.685 4.350 -0.001 0.000 0.286 1048 T C -0.189 174.654 174.700 0.239 0.000 1.027 1048 T CA -0.868 61.429 62.100 0.328 0.000 1.063 1048 T CB 1.547 70.623 68.868 0.347 0.000 1.440 1048 T HN 0.406 nan 8.240 nan 0.000 0.505 1049 D N 0.422 120.947 120.400 0.208 0.000 2.491 1049 D HA 0.353 4.992 4.640 -0.001 0.000 0.228 1049 D C 0.080 176.464 176.300 0.140 0.000 1.183 1049 D CA 0.029 54.121 54.000 0.153 0.000 0.827 1049 D CB 0.136 41.015 40.800 0.131 0.000 0.989 1049 D HN 0.431 nan 8.370 nan 0.000 0.494 1050 I N 0.480 121.146 120.570 0.160 0.000 2.664 1050 I HA 0.206 4.376 4.170 -0.001 0.000 0.308 1050 I C 0.618 176.775 176.117 0.066 0.000 0.984 1050 I CA -0.145 61.230 61.300 0.126 0.000 1.213 1050 I CB 1.751 39.857 38.000 0.177 0.000 1.379 1050 I HN -0.198 nan 8.210 nan 0.000 0.501 1051 T N 1.944 116.516 114.554 0.031 0.000 2.865 1051 T HA 0.316 4.666 4.350 -0.001 0.000 0.294 1051 T C 0.651 175.325 174.700 -0.043 0.000 1.119 1051 T CA -0.653 61.443 62.100 -0.006 0.000 1.007 1051 T CB 2.047 70.928 68.868 0.023 0.000 1.225 1051 T HN 0.217 nan 8.240 nan 0.000 0.515 1052 V N 0.649 120.529 119.914 -0.057 0.000 2.379 1052 V HA -0.052 4.068 4.120 -0.001 0.000 0.243 1052 V C 2.586 178.683 176.094 0.006 0.000 1.035 1052 V CA 1.300 63.571 62.300 -0.049 0.000 1.035 1052 V CB -0.542 31.246 31.823 -0.059 0.000 0.673 1052 V HN 0.807 nan 8.190 nan 0.000 0.457 1053 E N 0.990 121.197 120.200 0.012 0.000 2.085 1053 E HA -0.188 4.162 4.350 -0.001 0.000 0.194 1053 E C 2.317 178.938 176.600 0.035 0.000 0.994 1053 E CA 1.572 57.987 56.400 0.026 0.000 0.801 1053 E CB -0.601 29.113 29.700 0.024 0.000 0.743 1053 E HN 0.610 nan 8.360 nan 0.000 0.453 1054 G N 0.632 109.453 108.800 0.035 0.000 2.498 1054 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.219 1054 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.219 1054 G C 1.608 176.543 174.900 0.058 0.000 1.119 1054 G CA 0.350 45.479 45.100 0.047 0.000 0.766 1054 G HN 0.183 nan 8.290 nan 0.000 0.552 1055 I N -0.220 120.384 120.570 0.057 0.000 3.039 1055 I HA -0.020 4.149 4.170 -0.001 0.000 0.270 1055 I C 2.665 178.832 176.117 0.083 0.000 1.150 1055 I CA 0.269 61.614 61.300 0.075 0.000 1.448 1055 I CB 0.038 38.083 38.000 0.075 0.000 1.197 1055 I HN 0.031 nan 8.210 nan 0.000 0.450 1056 S N 1.102 116.848 115.700 0.076 0.000 2.423 1056 S HA -0.225 4.244 4.470 -0.001 0.000 0.238 1056 S C 1.877 176.525 174.600 0.081 0.000 1.028 1056 S CA 1.464 59.715 58.200 0.085 0.000 1.000 1056 S CB -0.220 63.023 63.200 0.072 0.000 0.797 1056 S HN 0.350 nan 8.310 nan 0.000 0.487 1057 K N 0.698 121.139 120.400 0.068 0.000 2.057 1057 K HA 0.058 4.377 4.320 -0.001 0.000 0.206 1057 K C 1.986 178.632 176.600 0.076 0.000 1.050 1057 K CA 0.952 57.275 56.287 0.060 0.000 0.935 1057 K CB -0.271 32.258 32.500 0.048 0.000 0.715 1057 K HN 0.310 nan 8.250 nan 0.000 0.439 1058 L N 0.574 121.855 121.223 0.096 0.000 2.093 1058 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 1058 L C 2.369 179.371 176.870 0.220 0.000 1.085 1058 L CA 0.544 55.466 54.840 0.137 0.000 0.755 1058 L CB -0.309 41.832 42.059 0.137 0.000 0.904 1058 L HN 0.162 nan 8.230 nan 0.000 0.435 1059 L N -0.106 121.227 121.223 0.182 0.000 2.156 1059 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 1059 L C 2.641 179.640 176.870 0.215 0.000 1.095 1059 L CA 1.314 56.282 54.840 0.214 0.000 0.770 1059 L CB -0.413 41.738 42.059 0.153 0.000 0.914 1059 L HN 0.064 nan 8.230 nan 0.000 0.439 1060 R N 0.391 120.974 120.500 0.139 0.000 2.092 1060 R HA -0.111 4.229 4.340 -0.001 0.000 0.231 1060 R C 2.009 178.344 176.300 0.058 0.000 1.119 1060 R CA 1.497 57.653 56.100 0.092 0.000 0.970 1060 R CB -0.510 29.826 30.300 0.059 0.000 0.864 1060 R HN 0.466 nan 8.270 nan 0.000 0.440 1061 E N -0.858 119.367 120.200 0.041 0.000 2.396 1061 E HA -0.181 4.168 4.350 -0.001 0.000 0.200 1061 E C 0.906 177.410 176.600 -0.161 0.000 1.023 1061 E CA 0.733 57.096 56.400 -0.062 0.000 0.857 1061 E CB -0.042 29.601 29.700 -0.094 0.000 0.775 1061 E HN 0.526 nan 8.360 nan 0.000 0.525 1062 H N -1.916 117.167 119.070 0.022 0.000 2.622 1062 H HA 0.142 4.698 4.556 -0.001 0.000 0.269 1062 H C 1.468 176.729 175.328 -0.112 0.000 0.977 1062 H CA 0.869 56.922 56.048 0.009 0.000 1.179 1062 H CB 1.550 31.376 29.762 0.106 0.000 1.458 1062 H HN 0.345 nan 8.280 nan 0.000 0.531 1063 G N 0.457 109.241 108.800 -0.026 0.000 2.284 1063 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.216 1063 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.216 1063 G C -0.251 174.525 174.900 -0.206 0.000 1.009 1063 G CA -0.281 44.711 45.100 -0.180 0.000 0.625 1063 G HN 0.317 nan 8.290 nan 0.000 0.501 1064 Y N 1.608 121.939 120.300 0.050 0.000 2.310 1064 Y HA 0.554 5.103 4.550 -0.001 0.000 0.326 1064 Y C 0.903 176.830 175.900 0.045 0.000 1.151 1064 Y CA -0.318 57.800 58.100 0.031 0.000 1.195 1064 Y CB 0.920 39.382 38.460 0.003 0.000 1.210 1064 Y HN 0.379 nan 8.280 nan 0.000 0.483 1065 Q N 1.456 121.377 119.800 0.201 0.000 2.431 1065 Q HA -0.133 4.206 4.340 -0.001 0.000 0.349 1065 Q C 1.026 177.119 176.000 0.154 0.000 1.119 1065 Q CA 0.828 56.714 55.803 0.139 0.000 1.065 1065 Q CB 0.735 29.556 28.738 0.139 0.000 1.149 1065 Q HN 0.801 nan 8.270 nan 0.000 0.403 1066 S N 3.342 119.108 115.700 0.109 0.000 2.507 1066 S HA -0.070 4.399 4.470 -0.001 0.000 0.235 1066 S C 0.941 175.629 174.600 0.147 0.000 0.988 1066 S CA 0.705 58.973 58.200 0.113 0.000 0.944 1066 S CB 0.043 63.287 63.200 0.073 0.000 0.762 1066 S HN 0.690 nan 8.310 nan 0.000 0.526 1067 R N 0.276 120.893 120.500 0.195 0.000 2.308 1067 R HA 0.398 4.737 4.340 -0.001 0.000 0.202 1067 R C 1.851 178.477 176.300 0.543 0.000 0.898 1067 R CA 0.658 56.956 56.100 0.330 0.000 1.046 1067 R CB -0.485 29.975 30.300 0.266 0.000 1.026 1067 R HN 0.581 nan 8.270 nan 0.000 0.512 1068 G N 0.418 109.465 108.800 0.410 0.000 2.561 1068 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.203 1068 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.203 1068 G C 0.164 175.209 174.900 0.241 0.000 1.101 1068 G CA -0.338 44.893 45.100 0.219 0.000 0.711 1068 G HN 0.098 nan 8.290 nan 0.000 0.511 1069 F N 2.287 122.329 119.950 0.152 0.000 2.670 1069 F HA 0.416 4.942 4.527 -0.001 0.000 0.325 1069 F C 1.235 177.080 175.800 0.075 0.000 1.125 1069 F CA 1.016 59.093 58.000 0.129 0.000 1.345 1069 F CB 0.133 39.207 39.000 0.125 0.000 1.019 1069 F HN 0.420 nan 8.300 nan 0.000 0.640 1070 E N -1.142 119.220 120.200 0.270 0.000 2.423 1070 E HA 0.466 4.815 4.350 -0.001 0.000 0.280 1070 E C -1.675 175.003 176.600 0.131 0.000 1.030 1070 E CA -0.981 55.520 56.400 0.167 0.000 0.812 1070 E CB 2.225 31.973 29.700 0.080 0.000 1.313 1070 E HN 0.197 nan 8.360 nan 0.000 0.456 1071 V N 1.312 121.276 119.914 0.085 0.000 2.686 1071 V HA 0.484 4.603 4.120 -0.001 0.000 0.295 1071 V C 0.149 176.228 176.094 -0.025 0.000 1.057 1071 V CA -0.046 62.247 62.300 -0.011 0.000 1.012 1071 V CB 0.738 32.534 31.823 -0.045 0.000 1.006 1071 V HN 0.591 nan 8.190 nan 0.000 0.477 1072 M N 2.715 122.209 119.600 -0.178 0.000 2.520 1072 M HA 0.524 5.004 4.480 -0.001 0.000 0.283 1072 M C -2.022 174.036 176.300 -0.403 0.000 1.237 1072 M CA -0.501 54.722 55.300 -0.130 0.000 0.885 1072 M CB 3.033 35.605 32.600 -0.048 0.000 1.727 1072 M HN 0.585 nan 8.290 nan 0.000 0.468 1073 Y N 0.688 120.762 120.300 -0.377 0.000 2.352 1073 Y HA 0.310 4.859 4.550 -0.001 0.000 0.339 1073 Y C 0.380 175.873 175.900 -0.678 0.000 0.992 1073 Y CA -1.235 56.568 58.100 -0.494 0.000 1.100 1073 Y CB 0.778 38.982 38.460 -0.426 0.000 1.192 1073 Y HN 0.540 nan 8.280 nan 0.000 0.458 1074 N N 2.232 120.807 118.700 -0.209 0.000 2.418 1074 N HA -0.075 4.664 4.740 -0.001 0.000 0.277 1074 N C 1.244 176.647 175.510 -0.179 0.000 1.317 1074 N CA 0.886 53.852 53.050 -0.141 0.000 0.922 1074 N CB 1.005 39.464 38.487 -0.047 0.000 1.194 1074 N HN 1.067 nan 8.380 nan 0.000 0.485 1075 G N 3.616 112.287 108.800 -0.216 0.000 2.550 1075 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.222 1075 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.222 1075 G C 1.123 176.076 174.900 0.089 0.000 1.113 1075 G CA 0.947 46.011 45.100 -0.061 0.000 0.748 1075 G HN 0.737 nan 8.290 nan 0.000 0.585 1076 H N 0.571 119.653 119.070 0.019 0.000 2.326 1076 H HA -0.039 4.517 4.556 -0.001 0.000 0.301 1076 H C 2.936 178.285 175.328 0.035 0.000 1.081 1076 H CA 1.954 58.008 56.048 0.009 0.000 1.334 1076 H CB -0.893 28.843 29.762 -0.042 0.000 1.385 1076 H HN 0.518 nan 8.280 nan 0.000 0.504 1077 T N -3.408 111.237 114.554 0.153 0.000 2.925 1077 T HA 0.303 4.653 4.350 -0.001 0.000 0.245 1077 T C 1.796 176.571 174.700 0.126 0.000 1.025 1077 T CA 0.891 63.060 62.100 0.115 0.000 1.149 1077 T CB -0.119 68.801 68.868 0.087 0.000 0.866 1077 T HN 0.514 nan 8.240 nan 0.000 0.437 1078 G N 1.492 110.365 108.800 0.121 0.000 2.154 1078 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.186 1078 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.186 1078 G C -0.054 174.983 174.900 0.229 0.000 1.000 1078 G CA 0.072 45.286 45.100 0.190 0.000 0.664 1078 G HN 0.800 nan 8.290 nan 0.000 0.513 1079 K N 0.916 121.412 120.400 0.160 0.000 2.138 1079 K HA 0.536 4.855 4.320 -0.001 0.000 0.251 1079 K C 0.737 177.429 176.600 0.153 0.000 1.015 1079 K CA -0.530 55.859 56.287 0.170 0.000 0.917 1079 K CB 0.441 32.992 32.500 0.085 0.000 1.021 1079 K HN 0.160 nan 8.250 nan 0.000 0.485 1080 K N 1.678 122.116 120.400 0.063 0.000 2.180 1080 K HA 0.168 4.487 4.320 -0.001 0.000 0.251 1080 K C -0.383 176.113 176.600 -0.175 0.000 1.014 1080 K CA -0.289 55.838 56.287 -0.267 0.000 0.913 1080 K CB 0.465 32.787 32.500 -0.295 0.000 1.008 1080 K HN 0.427 nan 8.250 nan 0.000 0.490 1081 L N 3.621 124.704 121.223 -0.235 0.000 2.259 1081 L HA 0.105 4.444 4.340 -0.001 0.000 0.288 1081 L C 1.365 178.180 176.870 -0.092 0.000 1.051 1081 L CA -0.506 54.258 54.840 -0.126 0.000 0.824 1081 L CB 0.914 42.897 42.059 -0.127 0.000 1.206 1081 L HN 0.760 nan 8.230 nan 0.000 0.429 1082 M N 3.310 122.879 119.600 -0.052 0.000 2.186 1082 M HA -0.267 4.213 4.480 -0.001 0.000 0.249 1082 M C 0.890 177.179 176.300 -0.019 0.000 1.081 1082 M CA 2.169 57.451 55.300 -0.029 0.000 1.072 1082 M CB -0.149 32.446 32.600 -0.009 0.000 1.318 1082 M HN 0.649 nan 8.290 nan 0.000 0.405 1083 A N -1.153 121.662 122.820 -0.007 0.000 2.261 1083 A HA 0.648 4.968 4.320 -0.001 0.000 0.323 1083 A C -0.415 177.189 177.584 0.035 0.000 1.107 1083 A CA -0.752 51.300 52.037 0.026 0.000 0.883 1083 A CB 0.577 19.602 19.000 0.042 0.000 1.251 1083 A HN 0.461 nan 8.150 nan 0.000 0.502 1084 Q N -0.908 118.961 119.800 0.116 0.000 2.241 1084 Q HA 0.709 5.049 4.340 -0.001 0.000 0.262 1084 Q C -1.389 174.702 176.000 0.152 0.000 1.014 1084 Q CA -0.179 55.723 55.803 0.165 0.000 0.885 1084 Q CB 1.553 30.466 28.738 0.292 0.000 1.311 1084 Q HN 0.529 nan 8.270 nan 0.000 0.461 1085 I N 0.691 121.314 120.570 0.089 0.000 2.509 1085 I HA 0.275 4.444 4.170 -0.001 0.000 0.293 1085 I C -0.882 175.187 176.117 -0.080 0.000 1.020 1085 I CA -0.669 60.613 61.300 -0.030 0.000 1.088 1085 I CB 1.137 39.103 38.000 -0.057 0.000 1.267 1085 I HN 0.501 nan 8.210 nan 0.000 0.430 1086 F N 6.846 126.542 119.950 -0.423 0.000 2.512 1086 F HA 0.288 4.814 4.527 -0.001 0.000 0.350 1086 F C -0.646 175.089 175.800 -0.108 0.000 1.212 1086 F CA -0.052 57.695 58.000 -0.420 0.000 1.099 1086 F CB -0.289 38.411 39.000 -0.500 0.000 1.238 1086 F HN 0.265 nan 8.300 nan 0.000 0.600 1087 F N 4.309 123.964 119.950 -0.490 0.000 2.458 1087 F HA 0.745 5.271 4.527 -0.001 0.000 0.330 1087 F C 0.326 175.824 175.800 -0.504 0.000 1.082 1087 F CA -0.095 57.670 58.000 -0.392 0.000 0.995 1087 F CB 1.509 40.371 39.000 -0.230 0.000 1.170 1087 F HN 0.619 nan 8.300 nan 0.000 0.478 1088 G N 4.313 113.285 108.800 0.286 0.000 2.337 1088 G HA2 0.121 4.080 3.960 -0.001 0.000 0.310 1088 G HA3 0.121 4.080 3.960 -0.001 0.000 0.310 1088 G C -3.392 171.505 174.900 -0.005 0.000 1.534 1088 G CA -1.203 43.890 45.100 -0.012 0.000 0.982 1088 G HN 0.409 nan 8.290 nan 0.000 0.672 1089 P HA 0.443 nan 4.420 nan 0.000 0.269 1089 P C -0.321 176.994 177.300 0.024 0.000 1.217 1089 P CA 0.454 63.567 63.100 0.021 0.000 0.783 1089 P CB 1.102 32.802 31.700 -0.001 0.000 0.898 1090 T N 0.574 115.177 114.554 0.081 0.000 3.047 1090 T HA 0.163 4.512 4.350 -0.001 0.000 0.340 1090 T C -1.334 173.479 174.700 0.188 0.000 1.421 1090 T CA -0.266 61.873 62.100 0.065 0.000 1.090 1090 T CB 0.471 69.339 68.868 -0.000 0.000 1.292 1090 T HN 0.221 nan 8.240 nan 0.000 0.480 1091 Y N 2.273 122.550 120.300 -0.039 0.000 2.346 1091 Y HA 0.562 5.111 4.550 -0.001 0.000 0.330 1091 Y C -1.079 174.800 175.900 -0.035 0.000 1.178 1091 Y CA -0.823 57.286 58.100 0.015 0.000 1.331 1091 Y CB 0.392 38.855 38.460 0.006 0.000 1.253 1091 Y HN 0.643 nan 8.280 nan 0.000 0.529 1092 Y N 3.669 123.904 120.300 -0.109 0.000 2.386 1092 Y HA 0.316 4.865 4.550 -0.001 0.000 0.334 1092 Y C -0.551 175.277 175.900 -0.120 0.000 1.002 1092 Y CA -0.930 57.144 58.100 -0.043 0.000 1.068 1092 Y CB 1.664 40.190 38.460 0.110 0.000 1.203 1092 Y HN 0.507 nan 8.280 nan 0.000 0.443 1093 Q N 3.177 122.999 119.800 0.036 0.000 2.235 1093 Q HA 0.404 4.744 4.340 -0.001 0.000 0.250 1093 Q C -0.505 175.596 176.000 0.168 0.000 0.909 1093 Q CA -0.908 54.919 55.803 0.040 0.000 0.910 1093 Q CB 1.727 30.462 28.738 -0.004 0.000 1.223 1093 Q HN 0.477 nan 8.270 nan 0.000 0.432 1094 R N 3.129 123.734 120.500 0.174 0.000 2.233 1094 R HA 0.242 4.582 4.340 -0.001 0.000 0.334 1094 R C -1.245 175.071 176.300 0.027 0.000 1.037 1094 R CA -0.549 55.678 56.100 0.211 0.000 0.920 1094 R CB -0.033 30.409 30.300 0.237 0.000 1.137 1094 R HN 0.414 nan 8.270 nan 0.000 0.492 1095 L N 3.213 124.401 121.223 -0.060 0.000 2.395 1095 L HA 0.476 4.815 4.340 -0.001 0.000 0.269 1095 L C 0.896 177.630 176.870 -0.226 0.000 1.133 1095 L CA -0.674 54.089 54.840 -0.129 0.000 0.812 1095 L CB 0.341 42.342 42.059 -0.097 0.000 1.125 1095 L HN 0.573 nan 8.230 nan 0.000 0.452 1096 R N 0.134 120.467 120.500 -0.279 0.000 3.064 1096 R HA 0.183 4.522 4.340 -0.001 0.000 0.280 1096 R C -0.614 175.520 176.300 -0.276 0.000 1.182 1096 R CA -0.460 55.428 56.100 -0.353 0.000 1.155 1096 R CB -0.153 29.854 30.300 -0.488 0.000 1.112 1096 R HN 0.740 nan 8.270 nan 0.000 0.564 1097 H N -1.159 117.742 119.070 -0.283 0.000 3.286 1097 H HA -0.075 4.480 4.556 -0.001 0.000 0.372 1097 H C -0.914 174.266 175.328 -0.247 0.000 1.304 1097 H CA 0.443 56.346 56.048 -0.242 0.000 1.285 1097 H CB -1.506 28.125 29.762 -0.218 0.000 1.529 1097 H HN 0.544 nan 8.280 nan 0.000 0.449 1098 M N -0.375 119.147 119.600 -0.130 0.000 2.513 1098 M HA 0.300 4.779 4.480 -0.001 0.000 0.291 1098 M C 1.880 178.108 176.300 -0.121 0.000 1.190 1098 M CA -0.495 54.703 55.300 -0.170 0.000 0.960 1098 M CB 0.927 33.416 32.600 -0.185 0.000 1.517 1098 M HN 0.091 nan 8.290 nan 0.000 0.499 1099 V N 0.646 120.488 119.914 -0.120 0.000 2.216 1099 V HA -0.233 3.887 4.120 -0.001 0.000 0.243 1099 V C 1.024 177.082 176.094 -0.060 0.000 1.044 1099 V CA 2.067 64.314 62.300 -0.088 0.000 0.995 1099 V CB -0.297 31.477 31.823 -0.082 0.000 0.633 1099 V HN 0.845 nan 8.190 nan 0.000 0.446 1100 D N 0.433 120.803 120.400 -0.050 0.000 2.429 1100 D HA -0.106 4.533 4.640 -0.001 0.000 0.237 1100 D C 0.866 177.155 176.300 -0.018 0.000 1.045 1100 D CA 0.739 54.723 54.000 -0.027 0.000 0.974 1100 D CB -0.268 40.520 40.800 -0.021 0.000 0.871 1100 D HN 0.530 nan 8.370 nan 0.000 0.525 1101 D N -1.131 119.250 120.400 -0.030 0.000 2.433 1101 D HA 0.103 4.742 4.640 -0.001 0.000 0.211 1101 D C 1.401 177.686 176.300 -0.026 0.000 1.114 1101 D CA 0.110 54.097 54.000 -0.021 0.000 0.837 1101 D CB 0.662 41.440 40.800 -0.038 0.000 0.984 1101 D HN 0.195 nan 8.370 nan 0.000 0.505 1102 K N -0.383 120.000 120.400 -0.028 0.000 2.493 1102 K HA 0.164 4.484 4.320 -0.001 0.000 0.201 1102 K C 0.316 176.927 176.600 0.019 0.000 1.355 1102 K CA -0.499 55.773 56.287 -0.024 0.000 0.953 1102 K CB 1.241 33.708 32.500 -0.055 0.000 1.316 1102 K HN -0.142 nan 8.250 nan 0.000 0.522 1103 I N 3.122 123.699 120.570 0.011 0.000 3.076 1103 I HA -0.193 3.976 4.170 -0.001 0.000 0.321 1103 I C -0.244 175.938 176.117 0.108 0.000 1.216 1103 I CA 1.280 62.599 61.300 0.031 0.000 1.460 1103 I CB -0.378 37.627 38.000 0.009 0.000 1.313 1103 I HN 0.221 nan 8.210 nan 0.000 0.546 1104 H N 5.660 124.713 119.070 -0.030 0.000 3.099 1104 H HA 0.778 5.333 4.556 -0.002 0.000 0.342 1104 H C -1.539 173.777 175.328 -0.020 0.000 1.054 1104 H CA -0.492 55.542 56.048 -0.024 0.000 1.328 1104 H CB 1.107 30.854 29.762 -0.025 0.000 1.876 1104 H HN 0.658 nan 8.280 nan 0.000 0.495 1105 A N 4.640 127.346 122.820 -0.191 0.000 2.498 1105 A HA 0.878 5.197 4.320 -0.001 0.000 0.298 1105 A C -1.121 176.336 177.584 -0.211 0.000 1.075 1105 A CA -0.718 51.147 52.037 -0.287 0.000 0.714 1105 A CB 1.769 20.704 19.000 -0.109 0.000 1.299 1105 A HN 0.887 nan 8.150 nan 0.000 0.407 1106 R N 0.328 120.715 120.500 -0.188 0.000 2.561 1106 R HA 0.642 4.981 4.340 -0.001 0.000 0.266 1106 R C -1.817 174.449 176.300 -0.056 0.000 1.091 1106 R CA 0.041 56.097 56.100 -0.074 0.000 0.927 1106 R CB 1.624 31.907 30.300 -0.028 0.000 1.240 1106 R HN 1.566 nan 8.270 nan 0.000 0.449 1107 A N 5.396 128.198 122.820 -0.030 0.000 2.605 1107 A HA 0.521 4.841 4.320 -0.001 0.000 0.293 1107 A C -0.642 176.932 177.584 -0.017 0.000 1.216 1107 A CA -0.346 51.676 52.037 -0.025 0.000 0.742 1107 A CB 0.553 19.538 19.000 -0.024 0.000 1.170 1107 A HN 1.072 nan 8.150 nan 0.000 0.443 1108 R N 0.526 121.016 120.500 -0.016 0.000 1.138 1108 R HA 0.030 4.369 4.340 -0.001 0.000 0.413 1108 R C 0.011 176.306 176.300 -0.009 0.000 1.362 1108 R CA 1.190 57.281 56.100 -0.014 0.000 1.394 1108 R CB -1.202 29.088 30.300 -0.016 0.000 3.813 1108 R HN 2.296 nan 8.270 nan 0.000 0.482 1109 G N 1.721 110.515 108.800 -0.009 0.000 2.539 1109 G HA2 0.397 4.356 3.960 -0.001 0.000 0.138 1109 G HA3 0.397 4.356 3.960 -0.001 0.000 0.138 1109 G C -2.879 172.015 174.900 -0.011 0.000 1.148 1109 G CA -0.379 44.717 45.100 -0.007 0.000 1.057 1109 G HN 0.718 nan 8.290 nan 0.000 0.511 1110 P HA 0.280 nan 4.420 nan 0.000 0.262 1110 P C -0.813 176.472 177.300 -0.024 0.000 1.182 1110 P CA 0.506 63.598 63.100 -0.013 0.000 0.761 1110 P CB 0.607 32.303 31.700 -0.007 0.000 0.795 1111 M N 1.960 121.536 119.600 -0.040 0.000 2.383 1111 M HA 0.296 4.775 4.480 -0.001 0.000 0.325 1111 M C 0.560 176.814 176.300 -0.077 0.000 1.092 1111 M CA -0.978 54.284 55.300 -0.064 0.000 0.961 1111 M CB 1.642 34.192 32.600 -0.083 0.000 1.672 1111 M HN 0.453 nan 8.290 nan 0.000 0.438 1112 Q N 0.793 120.542 119.800 -0.085 0.000 2.726 1112 Q HA 0.085 4.424 4.340 -0.001 0.000 0.242 1112 Q C 0.410 176.337 176.000 -0.120 0.000 1.130 1112 Q CA 0.333 56.084 55.803 -0.087 0.000 1.031 1112 Q CB 0.861 29.546 28.738 -0.087 0.000 1.326 1112 Q HN 0.601 nan 8.270 nan 0.000 0.572 1113 V N 1.339 121.190 119.914 -0.105 0.000 3.048 1113 V HA -0.067 4.052 4.120 -0.001 0.000 0.241 1113 V C 1.478 177.487 176.094 -0.143 0.000 1.129 1113 V CA 0.610 62.840 62.300 -0.118 0.000 1.128 1113 V CB -0.288 31.494 31.823 -0.068 0.000 0.849 1113 V HN 0.742 nan 8.190 nan 0.000 0.475 1114 L N 0.554 121.715 121.223 -0.103 0.000 2.023 1114 L HA -0.059 4.280 4.340 -0.001 0.000 0.205 1114 L C 2.269 179.060 176.870 -0.132 0.000 1.073 1114 L CA 2.571 57.366 54.840 -0.075 0.000 0.745 1114 L CB -0.957 41.083 42.059 -0.032 0.000 0.900 1114 L HN 0.304 nan 8.230 nan 0.000 0.435 1115 T N -0.745 113.715 114.554 -0.157 0.000 2.937 1115 T HA 0.051 4.400 4.350 -0.001 0.000 0.260 1115 T C 0.655 175.101 174.700 -0.422 0.000 1.051 1115 T CA 0.511 62.499 62.100 -0.186 0.000 1.141 1115 T CB -0.005 68.806 68.868 -0.095 0.000 0.879 1115 T HN 0.345 nan 8.240 nan 0.000 0.459 1116 R N 0.744 121.004 120.500 -0.400 0.000 3.644 1116 R HA -0.108 4.232 4.340 -0.001 0.000 0.308 1116 R C -0.432 175.722 176.300 -0.243 0.000 1.161 1116 R CA 0.310 56.152 56.100 -0.429 0.000 0.819 1116 R CB -1.963 27.843 30.300 -0.824 0.000 1.363 1116 R HN 0.503 nan 8.270 nan 0.000 0.479 1117 Q N -0.092 119.613 119.800 -0.157 0.000 2.297 1117 Q HA 0.462 4.801 4.340 -0.001 0.000 0.269 1117 Q C -2.429 173.530 176.000 -0.069 0.000 1.051 1117 Q CA -2.208 53.542 55.803 -0.089 0.000 0.869 1117 Q CB 1.638 30.340 28.738 -0.059 0.000 1.346 1117 Q HN -0.147 nan 8.270 nan 0.000 0.457 1118 P HA -0.096 nan 4.420 nan 0.000 0.267 1118 P C -0.656 176.632 177.300 -0.020 0.000 1.200 1118 P CA 0.017 63.102 63.100 -0.025 0.000 0.772 1118 P CB 0.382 32.077 31.700 -0.008 0.000 0.855 1119 V N 0.301 120.206 119.914 -0.014 0.000 3.385 1119 V HA 0.299 4.418 4.120 -0.001 0.000 0.301 1119 V C 0.177 176.272 176.094 0.001 0.000 1.082 1119 V CA -0.343 61.950 62.300 -0.013 0.000 1.085 1119 V CB 0.684 32.499 31.823 -0.014 0.000 1.152 1119 V HN 0.577 nan 8.190 nan 0.000 0.465 1120 E N 0.987 121.184 120.200 -0.005 0.000 2.222 1120 E HA 0.589 4.938 4.350 -0.001 0.000 0.272 1120 E C 0.024 176.614 176.600 -0.017 0.000 0.982 1120 E CA -0.017 56.381 56.400 -0.002 0.000 0.842 1120 E CB 1.379 31.074 29.700 -0.009 0.000 1.144 1120 E HN 2.037 nan 8.360 nan 0.000 0.397 1121 G N 2.437 111.223 108.800 -0.024 0.000 2.777 1121 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.686 1121 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.686 1121 G C 0.232 175.027 174.900 -0.174 0.000 1.177 1121 G CA 0.085 45.141 45.100 -0.074 0.000 0.775 1121 G HN 0.812 nan 8.290 nan 0.000 0.613 1122 R N 0.294 120.600 120.500 -0.324 0.000 2.189 1122 R HA 0.029 4.369 4.340 -0.001 0.000 0.218 1122 R C 2.603 178.696 176.300 -0.346 0.000 1.074 1122 R CA 2.234 57.912 56.100 -0.703 0.000 0.991 1122 R CB -0.298 29.559 30.300 -0.739 0.000 0.883 1122 R HN 1.000 nan 8.270 nan 0.000 0.457 1123 S N 0.697 116.286 115.700 -0.184 0.000 2.382 1123 S HA -0.100 4.370 4.470 -0.001 0.000 0.228 1123 S C 1.821 176.380 174.600 -0.069 0.000 1.027 1123 S CA 0.858 59.000 58.200 -0.097 0.000 0.991 1123 S CB -0.172 62.994 63.200 -0.056 0.000 0.823 1123 S HN 0.434 nan 8.310 nan 0.000 0.469 1124 R N 0.634 121.094 120.500 -0.066 0.000 2.359 1124 R HA 0.184 4.524 4.340 -0.001 0.000 0.231 1124 R C 0.080 176.365 176.300 -0.025 0.000 0.913 1124 R CA 0.510 56.589 56.100 -0.035 0.000 1.075 1124 R CB 0.025 30.311 30.300 -0.024 0.000 1.087 1124 R HN 0.368 nan 8.270 nan 0.000 0.515 1125 D N -1.325 119.053 120.400 -0.037 0.000 2.981 1125 D HA -0.116 4.523 4.640 -0.001 0.000 0.203 1125 D C 0.415 176.765 176.300 0.084 0.000 1.049 1125 D CA 1.069 55.083 54.000 0.023 0.000 1.003 1125 D CB -1.031 39.779 40.800 0.017 0.000 1.085 1125 D HN 0.397 nan 8.370 nan 0.000 0.432 1126 G N -0.063 108.764 108.800 0.045 0.000 2.846 1126 G HA2 0.394 4.353 3.960 -0.001 0.000 0.257 1126 G HA3 0.394 4.353 3.960 -0.001 0.000 0.257 1126 G C 0.682 175.689 174.900 0.178 0.000 1.253 1126 G CA 0.428 45.576 45.100 0.079 0.000 0.918 1126 G HN 0.384 nan 8.290 nan 0.000 0.597 1127 G N -1.744 107.122 108.800 0.109 0.000 2.552 1127 G HA2 0.567 4.526 3.960 -0.001 0.000 0.324 1127 G HA3 0.567 4.526 3.960 -0.001 0.000 0.324 1127 G C -0.290 174.665 174.900 0.093 0.000 1.217 1127 G CA -0.966 44.183 45.100 0.082 0.000 0.989 1127 G HN 0.574 nan 8.290 nan 0.000 0.490 1128 L N -0.767 120.483 121.223 0.045 0.000 2.448 1128 L HA 0.568 4.907 4.340 -0.001 0.000 0.258 1128 L C 0.653 177.557 176.870 0.055 0.000 1.104 1128 L CA -0.942 53.927 54.840 0.048 0.000 0.800 1128 L CB 1.202 43.268 42.059 0.012 0.000 1.241 1128 L HN 0.430 nan 8.230 nan 0.000 0.472 1129 R N 0.299 120.826 120.500 0.045 0.000 2.349 1129 R HA 0.300 4.639 4.340 -0.001 0.000 0.299 1129 R C -1.296 175.043 176.300 0.065 0.000 1.027 1129 R CA -0.017 56.111 56.100 0.046 0.000 0.958 1129 R CB 0.591 30.893 30.300 0.005 0.000 1.047 1129 R HN 0.409 nan 8.270 nan 0.000 0.468 1130 F N 4.352 124.282 119.950 -0.032 0.000 2.550 1130 F HA 0.491 5.017 4.527 -0.001 0.000 0.348 1130 F C 0.034 175.809 175.800 -0.042 0.000 1.219 1130 F CA -0.380 57.595 58.000 -0.041 0.000 1.203 1130 F CB 0.887 39.846 39.000 -0.068 0.000 1.436 1130 F HN 0.676 nan 8.300 nan 0.000 0.541 1131 G N 2.004 110.729 108.800 -0.125 0.000 2.537 1131 G HA2 0.184 4.144 3.960 -0.001 0.000 0.297 1131 G HA3 0.184 4.144 3.960 -0.001 0.000 0.297 1131 G C 0.603 175.448 174.900 -0.091 0.000 1.310 1131 G CA -0.355 44.710 45.100 -0.058 0.000 1.027 1131 G HN 0.519 nan 8.290 nan 0.000 0.505 1132 E N -0.725 119.449 120.200 -0.043 0.000 2.110 1132 E HA -0.331 4.018 4.350 -0.001 0.000 0.225 1132 E C 2.609 179.166 176.600 -0.072 0.000 1.063 1132 E CA 2.277 58.655 56.400 -0.037 0.000 0.906 1132 E CB -0.282 29.399 29.700 -0.031 0.000 0.795 1132 E HN 0.495 nan 8.360 nan 0.000 0.479 1133 M N 0.142 119.684 119.600 -0.095 0.000 2.089 1133 M HA -0.246 4.234 4.480 -0.001 0.000 0.257 1133 M C 2.145 178.351 176.300 -0.157 0.000 1.071 1133 M CA 1.779 57.014 55.300 -0.107 0.000 1.096 1133 M CB -0.654 31.885 32.600 -0.102 0.000 1.330 1133 M HN 0.035 nan 8.290 nan 0.000 0.403 1134 E N -0.286 119.738 120.200 -0.294 0.000 2.268 1134 E HA -0.104 4.246 4.350 -0.001 0.000 0.195 1134 E C 1.989 178.350 176.600 -0.398 0.000 0.995 1134 E CA 0.727 56.831 56.400 -0.494 0.000 0.836 1134 E CB -0.244 28.867 29.700 -0.983 0.000 0.763 1134 E HN 0.379 nan 8.360 nan 0.000 0.491 1135 R N 0.863 121.254 120.500 -0.182 0.000 2.052 1135 R HA -0.127 4.213 4.340 -0.001 0.000 0.226 1135 R C 1.026 177.368 176.300 0.070 0.000 1.145 1135 R CA 1.596 57.771 56.100 0.125 0.000 0.952 1135 R CB -0.146 30.233 30.300 0.131 0.000 0.847 1135 R HN 0.052 nan 8.270 nan 0.000 0.431 1136 D N 0.132 120.537 120.400 0.008 0.000 2.292 1136 D HA -0.201 4.438 4.640 -0.001 0.000 0.205 1136 D C 1.726 178.028 176.300 0.004 0.000 0.994 1136 D CA 1.199 55.199 54.000 0.001 0.000 0.897 1136 D CB -0.266 40.519 40.800 -0.025 0.000 0.907 1136 D HN 0.321 nan 8.370 nan 0.000 0.467 1137 C N -0.312 118.996 119.300 0.013 0.000 2.507 1137 C HA 0.088 4.547 4.460 -0.001 0.000 0.280 1137 C C 2.467 177.539 174.990 0.138 0.000 1.345 1137 C CA -0.129 58.904 59.018 0.025 0.000 1.736 1137 C CB -0.405 27.359 27.740 0.040 0.000 2.060 1137 C HN 0.312 nan 8.230 nan 0.000 0.498 1138 M N 1.043 120.776 119.600 0.223 0.000 2.229 1138 M HA -0.016 4.464 4.480 -0.001 0.000 0.264 1138 M C 1.898 178.319 176.300 0.202 0.000 1.063 1138 M CA 1.426 56.909 55.300 0.305 0.000 1.114 1138 M CB -1.261 31.532 32.600 0.323 0.000 1.387 1138 M HN 0.362 nan 8.290 nan 0.000 0.420 1139 I N -0.067 120.576 120.570 0.122 0.000 2.252 1139 I HA -0.245 3.924 4.170 -0.001 0.000 0.245 1139 I C 2.586 178.738 176.117 0.059 0.000 1.102 1139 I CA 1.033 62.379 61.300 0.077 0.000 1.385 1139 I CB -0.733 37.295 38.000 0.046 0.000 1.064 1139 I HN 0.209 nan 8.210 nan 0.000 0.414 1140 A N 0.675 123.508 122.820 0.023 0.000 1.849 1140 A HA -0.290 4.030 4.320 -0.001 0.000 0.217 1140 A C 2.224 179.795 177.584 -0.022 0.000 1.202 1140 A CA 1.855 53.867 52.037 -0.042 0.000 0.629 1140 A CB -1.223 17.699 19.000 -0.130 0.000 0.834 1140 A HN 0.420 nan 8.150 nan 0.000 0.447 1141 H N -0.847 118.251 119.070 0.047 0.000 2.460 1141 H HA -0.070 4.486 4.556 -0.001 0.000 0.297 1141 H C 1.734 177.090 175.328 0.047 0.000 1.103 1141 H CA 1.362 57.439 56.048 0.049 0.000 1.292 1141 H CB -0.522 29.284 29.762 0.075 0.000 1.376 1141 H HN 0.807 nan 8.280 nan 0.000 0.531 1142 G N -0.279 108.621 108.800 0.166 0.000 2.182 1142 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.248 1142 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.248 1142 G C 0.511 175.483 174.900 0.119 0.000 1.042 1142 G CA 0.423 45.589 45.100 0.110 0.000 0.775 1142 G HN 0.699 nan 8.290 nan 0.000 0.501 1143 A N -0.188 122.730 122.820 0.164 0.000 3.168 1143 A HA 0.839 5.158 4.320 -0.001 0.000 0.260 1143 A C 1.895 179.564 177.584 0.142 0.000 1.598 1143 A CA 0.987 53.119 52.037 0.159 0.000 1.285 1143 A CB -0.488 18.644 19.000 0.220 0.000 1.149 1143 A HN 1.976 nan 8.150 nan 0.000 0.630 1144 A N 0.965 123.841 122.820 0.092 0.000 1.879 1144 A HA -0.266 4.053 4.320 -0.001 0.000 0.222 1144 A C 2.528 180.143 177.584 0.052 0.000 1.368 1144 A CA 2.749 54.822 52.037 0.061 0.000 0.707 1144 A CB -1.289 17.738 19.000 0.045 0.000 0.846 1144 A HN 0.667 nan 8.150 nan 0.000 0.468 1145 S N -1.202 114.534 115.700 0.061 0.000 2.365 1145 S HA -0.192 4.278 4.470 -0.001 0.000 0.225 1145 S C 1.682 176.326 174.600 0.074 0.000 1.039 1145 S CA 1.678 59.910 58.200 0.053 0.000 1.033 1145 S CB -0.628 62.605 63.200 0.055 0.000 0.887 1145 S HN 0.625 nan 8.310 nan 0.000 0.447 1146 F N 2.234 122.159 119.950 -0.042 0.000 2.154 1146 F HA -0.105 4.421 4.527 -0.002 0.000 0.301 1146 F C 1.882 177.616 175.800 -0.110 0.000 1.087 1146 F CA 0.879 58.838 58.000 -0.068 0.000 1.274 1146 F CB -0.673 38.297 39.000 -0.049 0.000 1.009 1146 F HN 0.148 nan 8.300 nan 0.000 0.485 1147 L N 0.573 121.656 121.223 -0.233 0.000 1.955 1147 L HA -0.290 4.049 4.340 -0.001 0.000 0.213 1147 L C 2.723 179.396 176.870 -0.327 0.000 1.072 1147 L CA 2.316 56.949 54.840 -0.346 0.000 0.755 1147 L CB -0.763 41.238 42.059 -0.096 0.000 0.888 1147 L HN 0.201 nan 8.230 nan 0.000 0.432 1148 K N -0.163 120.140 120.400 -0.163 0.000 2.089 1148 K HA -0.322 3.997 4.320 -0.001 0.000 0.210 1148 K C 1.960 178.457 176.600 -0.172 0.000 1.048 1148 K CA 2.279 58.488 56.287 -0.129 0.000 0.926 1148 K CB -0.248 32.216 32.500 -0.060 0.000 0.714 1148 K HN 0.460 nan 8.250 nan 0.000 0.448 1149 E N -0.031 120.056 120.200 -0.188 0.000 2.051 1149 E HA -0.196 4.153 4.350 -0.001 0.000 0.192 1149 E C 2.162 178.594 176.600 -0.280 0.000 0.991 1149 E CA 0.882 57.179 56.400 -0.171 0.000 0.799 1149 E CB 0.135 29.798 29.700 -0.062 0.000 0.748 1149 E HN 0.260 nan 8.360 nan 0.000 0.449 1150 R N 0.155 120.331 120.500 -0.539 0.000 2.083 1150 R HA -0.148 4.191 4.340 -0.001 0.000 0.237 1150 R C 2.426 178.471 176.300 -0.426 0.000 1.137 1150 R CA 0.789 56.503 56.100 -0.644 0.000 0.951 1150 R CB -0.830 28.659 30.300 -1.352 0.000 0.851 1150 R HN 0.222 nan 8.270 nan 0.000 0.434 1151 L N -0.113 120.879 121.223 -0.385 0.000 2.191 1151 L HA -0.112 4.227 4.340 -0.001 0.000 0.212 1151 L C 2.112 178.907 176.870 -0.125 0.000 1.103 1151 L CA 1.595 56.309 54.840 -0.211 0.000 0.769 1151 L CB -0.247 41.717 42.059 -0.158 0.000 0.908 1151 L HN 0.148 nan 8.230 nan 0.000 0.438 1152 M N -1.950 117.577 119.600 -0.123 0.000 3.119 1152 M HA 0.092 4.572 4.480 -0.001 0.000 0.160 1152 M C 1.867 178.124 176.300 -0.072 0.000 1.675 1152 M CA 0.325 55.582 55.300 -0.072 0.000 1.577 1152 M CB -0.876 31.689 32.600 -0.058 0.000 0.826 1152 M HN -0.180 nan 8.290 nan 0.000 0.549 1153 E N 1.393 121.546 120.200 -0.079 0.000 2.401 1153 E HA -0.120 4.229 4.350 -0.001 0.000 0.204 1153 E C 0.734 177.297 176.600 -0.062 0.000 1.036 1153 E CA 1.313 57.671 56.400 -0.069 0.000 0.856 1153 E CB -0.266 29.395 29.700 -0.065 0.000 0.770 1153 E HN 0.490 nan 8.360 nan 0.000 0.527 1154 A N -1.030 121.741 122.820 -0.081 0.000 2.676 1154 A HA 0.529 4.848 4.320 -0.001 0.000 0.297 1154 A C 0.702 178.243 177.584 -0.071 0.000 1.132 1154 A CA 0.253 52.246 52.037 -0.074 0.000 0.972 1154 A CB 0.532 19.476 19.000 -0.092 0.000 1.197 1154 A HN 0.080 nan 8.150 nan 0.000 0.524 1155 S N -1.452 114.214 115.700 -0.058 0.000 5.518 1155 S HA 0.069 4.538 4.470 -0.001 0.000 0.155 1155 S C -0.021 174.562 174.600 -0.030 0.000 1.390 1155 S CA 0.582 58.753 58.200 -0.047 0.000 0.966 1155 S CB -0.500 62.665 63.200 -0.057 0.000 1.978 1155 S HN 0.213 nan 8.310 nan 0.000 0.624 1156 D N 1.529 121.921 120.400 -0.013 0.000 1.971 1156 D HA 0.329 4.969 4.640 -0.001 0.000 0.253 1156 D C 0.820 177.164 176.300 0.073 0.000 1.019 1156 D CA 1.877 55.897 54.000 0.033 0.000 0.947 1156 D CB -0.961 39.879 40.800 0.066 0.000 1.256 1156 D HN 1.255 nan 8.370 nan 0.000 0.493 1157 A N -0.267 122.613 122.820 0.100 0.000 2.379 1157 A HA -0.084 4.235 4.320 -0.001 0.000 0.665 1157 A C -0.585 177.170 177.584 0.285 0.000 0.178 1157 A CA 0.382 52.489 52.037 0.115 0.000 0.125 1157 A CB -1.469 17.545 19.000 0.024 0.000 3.856 1157 A HN 0.333 nan 8.150 nan 0.000 0.531 1158 F N 2.916 122.913 119.950 0.079 0.000 2.665 1158 F HA 0.698 5.224 4.527 -0.001 0.000 0.308 1158 F C -0.436 175.450 175.800 0.142 0.000 1.112 1158 F CA -0.902 57.167 58.000 0.114 0.000 0.972 1158 F CB 1.386 40.467 39.000 0.135 0.000 1.295 1158 F HN 0.780 nan 8.300 nan 0.000 0.440 1159 R N 5.223 125.445 120.500 -0.463 0.000 2.275 1159 R HA 0.656 4.996 4.340 -0.001 0.000 0.326 1159 R C -1.779 174.028 176.300 -0.821 0.000 0.973 1159 R CA -0.194 55.655 56.100 -0.419 0.000 0.854 1159 R CB 0.749 30.985 30.300 -0.105 0.000 1.156 1159 R HN 0.530 nan 8.270 nan 0.000 0.487 1160 V N 3.258 122.765 119.914 -0.677 0.000 3.096 1160 V HA 0.516 4.635 4.120 -0.001 0.000 0.319 1160 V C 0.194 175.995 176.094 -0.488 0.000 1.103 1160 V CA -0.944 61.039 62.300 -0.529 0.000 1.016 1160 V CB 2.048 33.685 31.823 -0.309 0.000 1.090 1160 V HN 0.654 nan 8.190 nan 0.000 0.449 1161 H N 0.821 119.834 119.070 -0.096 0.000 2.621 1161 H HA 0.731 5.286 4.556 -0.001 0.000 0.360 1161 H C -0.782 174.527 175.328 -0.031 0.000 1.163 1161 H CA -0.296 55.712 56.048 -0.066 0.000 1.194 1161 H CB 2.348 32.092 29.762 -0.029 0.000 1.649 1161 H HN 0.467 nan 8.280 nan 0.000 0.532 1162 I N 0.233 120.868 120.570 0.108 0.000 3.322 1162 I HA 0.250 4.419 4.170 -0.001 0.000 0.313 1162 I C -0.186 175.976 176.117 0.075 0.000 1.129 1162 I CA -1.001 60.354 61.300 0.092 0.000 0.963 1162 I CB 2.387 40.450 38.000 0.104 0.000 1.273 1162 I HN 0.431 nan 8.210 nan 0.000 0.473 1163 C N 0.868 120.216 119.300 0.081 0.000 2.355 1163 C HA 0.641 5.100 4.460 -0.001 0.000 0.332 1163 C C 1.490 176.533 174.990 0.088 0.000 1.255 1163 C CA -0.130 58.920 59.018 0.053 0.000 1.792 1163 C CB 0.338 28.105 27.740 0.045 0.000 2.300 1163 C HN 1.001 nan 8.230 nan 0.000 0.515 1164 G N 3.845 112.699 108.800 0.089 0.000 2.744 1164 G HA2 0.055 4.014 3.960 -0.001 0.000 0.211 1164 G HA3 0.055 4.014 3.960 -0.001 0.000 0.211 1164 G C 1.021 175.834 174.900 -0.145 0.000 1.143 1164 G CA 0.551 45.703 45.100 0.087 0.000 0.788 1164 G HN 0.811 nan 8.290 nan 0.000 0.534 1165 I N 0.366 120.895 120.570 -0.070 0.000 2.731 1165 I HA 0.051 4.221 4.170 -0.001 0.000 0.235 1165 I C 0.983 177.112 176.117 0.020 0.000 1.064 1165 I CA 0.364 61.620 61.300 -0.072 0.000 1.439 1165 I CB 0.058 38.045 38.000 -0.021 0.000 1.255 1165 I HN 0.210 nan 8.210 nan 0.000 0.446 1166 c N 1.634 120.287 118.600 0.087 0.000 2.223 1166 c HA 0.619 5.188 4.570 -0.001 0.000 0.324 1166 c C 1.133 175.336 174.090 0.190 0.000 1.196 1166 c CA -1.254 55.166 56.329 0.152 0.000 1.628 1166 c CB -0.633 41.925 42.510 0.079 0.000 2.229 1166 c HN 0.600 nan 8.230 nan 0.000 0.486 1167 G N 4.331 113.348 108.800 0.362 0.000 2.894 1167 G HA2 0.368 4.327 3.960 -0.001 0.000 0.265 1167 G HA3 0.368 4.327 3.960 -0.001 0.000 0.265 1167 G C -0.118 174.806 174.900 0.041 0.000 0.735 1167 G CA 0.142 45.392 45.100 0.250 0.000 2.064 1167 G HN 0.838 nan 8.290 nan 0.000 0.590 1168 L N -0.691 120.562 121.223 0.050 0.000 2.257 1168 L HA 0.465 4.804 4.340 -0.001 0.000 0.257 1168 L C 1.406 178.302 176.870 0.043 0.000 1.033 1168 L CA -1.212 53.639 54.840 0.018 0.000 0.835 1168 L CB 1.502 43.574 42.059 0.021 0.000 1.398 1168 L HN 0.052 nan 8.230 nan 0.000 0.429 1169 M N -0.774 118.856 119.600 0.050 0.000 2.561 1169 M HA 0.016 4.495 4.480 -0.001 0.000 0.238 1169 M C 1.513 177.859 176.300 0.078 0.000 1.131 1169 M CA 0.291 55.633 55.300 0.071 0.000 1.046 1169 M CB -0.778 31.872 32.600 0.083 0.000 1.532 1169 M HN 0.836 nan 8.290 nan 0.000 0.497 1170 T N 1.400 115.993 114.554 0.064 0.000 2.567 1170 T HA -0.176 4.174 4.350 -0.001 0.000 0.261 1170 T C 1.096 175.837 174.700 0.069 0.000 1.123 1170 T CA 1.014 63.150 62.100 0.061 0.000 1.166 1170 T CB -1.188 67.710 68.868 0.050 0.000 0.860 1170 T HN 0.307 nan 8.240 nan 0.000 0.436 1171 V N 2.139 122.096 119.914 0.072 0.000 3.023 1171 V HA -0.165 3.955 4.120 -0.001 0.000 0.274 1171 V C 0.677 176.824 176.094 0.088 0.000 1.534 1171 V CA 0.755 63.102 62.300 0.079 0.000 1.504 1171 V CB -0.558 31.317 31.823 0.086 0.000 0.849 1171 V HN 0.442 nan 8.190 nan 0.000 0.493 1172 I N 4.667 125.285 120.570 0.080 0.000 2.417 1172 I HA 0.346 4.516 4.170 -0.001 0.000 0.283 1172 I C 0.832 176.968 176.117 0.033 0.000 1.121 1172 I CA -0.228 61.106 61.300 0.058 0.000 1.211 1172 I CB 0.598 38.621 38.000 0.039 0.000 1.492 1172 I HN 0.778 nan 8.210 nan 0.000 0.522 1173 A N 5.473 128.310 122.820 0.028 0.000 2.444 1173 A HA 0.197 4.517 4.320 -0.001 0.000 0.287 1173 A C 0.758 178.233 177.584 -0.181 0.000 1.195 1173 A CA -0.050 51.927 52.037 -0.100 0.000 0.858 1173 A CB -0.138 18.739 19.000 -0.205 0.000 1.117 1173 A HN 0.616 nan 8.150 nan 0.000 0.521 1174 K N 3.373 123.575 120.400 -0.330 0.000 2.684 1174 K HA 0.201 4.521 4.320 -0.001 0.000 0.215 1174 K C -0.443 175.984 176.600 -0.288 0.000 1.073 1174 K CA -0.250 55.900 56.287 -0.228 0.000 1.197 1174 K CB -0.169 32.239 32.500 -0.154 0.000 0.955 1174 K HN 0.780 nan 8.250 nan 0.000 0.473 1175 L N 2.007 123.053 121.223 -0.295 0.000 6.221 1175 L HA -0.306 4.033 4.340 -0.001 0.000 0.342 1175 L C 0.761 177.505 176.870 -0.210 0.000 1.548 1175 L CA 0.473 55.187 54.840 -0.209 0.000 0.914 1175 L CB -1.215 40.824 42.059 -0.034 0.000 1.572 1175 L HN 0.558 nan 8.230 nan 0.000 0.303 1176 N N -0.825 117.698 118.700 -0.295 0.000 2.595 1176 N HA -0.053 4.687 4.740 -0.001 0.000 0.345 1176 N C 0.829 176.108 175.510 -0.385 0.000 0.571 1176 N CA -0.204 52.614 53.050 -0.387 0.000 1.467 1176 N CB 0.154 38.270 38.487 -0.618 0.000 1.701 1176 N HN 0.501 nan 8.380 nan 0.000 1.779 1177 H N 2.622 121.610 119.070 -0.136 0.000 2.555 1177 H HA 0.317 4.872 4.556 -0.001 0.000 0.283 1177 H C 0.194 175.412 175.328 -0.183 0.000 1.037 1177 H CA 0.068 56.041 56.048 -0.125 0.000 1.169 1177 H CB -0.169 29.529 29.762 -0.106 0.000 1.375 1177 H HN 0.355 nan 8.280 nan 0.000 0.582 1178 N N 0.645 119.209 118.700 -0.227 0.000 2.805 1178 N HA -0.247 4.492 4.740 -0.001 0.000 0.241 1178 N C 0.174 175.328 175.510 -0.594 0.000 1.007 1178 N CA 0.969 53.787 53.050 -0.386 0.000 0.961 1178 N CB -0.848 37.565 38.487 -0.124 0.000 1.121 1178 N HN 0.579 nan 8.380 nan 0.000 0.600 1179 Q N -1.061 118.531 119.800 -0.346 0.000 2.352 1179 Q HA 0.009 4.348 4.340 -0.001 0.000 0.326 1179 Q C 0.744 176.458 176.000 -0.476 0.000 1.135 1179 Q CA 0.880 56.532 55.803 -0.251 0.000 1.000 1179 Q CB 0.138 28.804 28.738 -0.120 0.000 1.237 1179 Q HN 0.400 nan 8.270 nan 0.000 0.409 1180 F N -0.740 119.170 119.950 -0.067 0.000 2.675 1180 F HA 0.081 4.607 4.527 -0.001 0.000 0.315 1180 F C 0.513 176.267 175.800 -0.077 0.000 0.888 1180 F CA -0.340 57.598 58.000 -0.103 0.000 1.100 1180 F CB 0.699 39.621 39.000 -0.130 0.000 0.908 1180 F HN 0.599 nan 8.300 nan 0.000 0.657 1181 E N -0.490 119.790 120.200 0.133 0.000 6.294 1181 E HA -0.405 3.944 4.350 -0.001 0.000 0.173 1181 E C -0.005 176.631 176.600 0.060 0.000 1.511 1181 E CA 1.342 57.783 56.400 0.068 0.000 2.628 1181 E CB -0.483 29.240 29.700 0.039 0.000 1.927 1181 E HN 0.489 nan 8.360 nan 0.000 0.413 1182 C N 0.856 120.180 119.300 0.039 0.000 3.636 1182 C HA 0.044 4.503 4.460 -0.001 0.000 0.394 1182 C C -1.038 173.968 174.990 0.026 0.000 2.513 1182 C CA 0.005 59.044 59.018 0.034 0.000 1.370 1182 C CB -1.143 26.614 27.740 0.029 0.000 2.064 1182 C HN 0.669 nan 8.230 nan 0.000 0.533 1183 K N 1.110 121.524 120.400 0.023 0.000 2.616 1183 K HA 0.376 4.696 4.320 -0.001 0.000 0.276 1183 K C 1.379 177.990 176.600 0.019 0.000 0.979 1183 K CA 1.683 57.981 56.287 0.018 0.000 1.055 1183 K CB -0.330 32.180 32.500 0.017 0.000 0.826 1183 K HN 1.700 nan 8.250 nan 0.000 0.490 1184 G N 0.417 109.227 108.800 0.016 0.000 3.349 1184 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.202 1184 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.202 1184 G C 1.080 175.990 174.900 0.016 0.000 1.588 1184 G CA -0.177 44.933 45.100 0.017 0.000 1.198 1184 G HN 0.742 nan 8.290 nan 0.000 0.588 1185 c N 2.016 120.627 118.600 0.018 0.000 2.799 1185 c HA 0.506 5.075 4.570 -0.001 0.000 0.267 1185 c C 0.735 174.831 174.090 0.010 0.000 1.257 1185 c CA -0.268 56.071 56.329 0.017 0.000 1.702 1185 c CB -0.549 41.975 42.510 0.022 0.000 1.934 1185 c HN 0.830 nan 8.230 nan 0.000 0.594 1186 D N 2.380 122.787 120.400 0.012 0.000 3.898 1186 D HA -0.181 4.458 4.640 -0.001 0.000 0.217 1186 D C -0.333 175.970 176.300 0.004 0.000 1.023 1186 D CA 0.955 54.961 54.000 0.009 0.000 1.163 1186 D CB -0.292 40.511 40.800 0.007 0.000 0.753 1186 D HN 0.572 nan 8.370 nan 0.000 0.386 1187 N N 2.771 121.474 118.700 0.005 0.000 3.512 1187 N HA 0.511 5.251 4.740 -0.001 0.000 0.360 1187 N C 0.530 176.043 175.510 0.005 0.000 1.593 1187 N CA -0.174 52.873 53.050 -0.005 0.000 0.672 1187 N CB 1.160 39.637 38.487 -0.018 0.000 2.105 1187 N HN 0.520 nan 8.380 nan 0.000 0.645 1188 K N -1.017 119.382 120.400 -0.001 0.000 1.017 1188 K HA 0.139 4.459 4.320 -0.001 0.000 0.067 1188 K C 0.959 177.560 176.600 0.002 0.000 2.385 1188 K CA 0.123 56.428 56.287 0.030 0.000 0.960 1188 K CB -0.298 32.218 32.500 0.026 0.000 2.650 1188 K HN 0.319 nan 8.250 nan 0.000 0.312 1189 I N 0.764 121.309 120.570 -0.042 0.000 3.098 1189 I HA 0.016 4.185 4.170 -0.001 0.000 0.241 1189 I C 0.332 176.355 176.117 -0.156 0.000 1.081 1189 I CA 0.266 61.521 61.300 -0.075 0.000 1.487 1189 I CB 0.271 38.238 38.000 -0.055 0.000 1.366 1189 I HN 0.030 nan 8.210 nan 0.000 0.463 1190 D N 2.142 122.455 120.400 -0.146 0.000 2.383 1190 D HA 0.389 5.029 4.640 -0.001 0.000 0.245 1190 D C -0.741 175.386 176.300 -0.288 0.000 1.263 1190 D CA 0.516 54.389 54.000 -0.211 0.000 0.936 1190 D CB 0.108 40.855 40.800 -0.089 0.000 1.053 1190 D HN 0.042 nan 8.370 nan 0.000 0.507 1191 I N 3.277 123.517 120.570 -0.549 0.000 2.692 1191 I HA 0.270 4.440 4.170 -0.001 0.000 0.293 1191 I C -1.014 174.611 176.117 -0.820 0.000 1.200 1191 I CA -0.864 60.111 61.300 -0.542 0.000 1.036 1191 I CB 1.466 39.136 38.000 -0.551 0.000 1.258 1191 I HN 0.242 nan 8.210 nan 0.000 0.421 1192 Y N 3.189 123.393 120.300 -0.161 0.000 2.650 1192 Y HA 0.562 5.112 4.550 -0.001 0.000 0.331 1192 Y C -0.143 175.692 175.900 -0.107 0.000 1.082 1192 Y CA -0.629 57.391 58.100 -0.133 0.000 1.171 1192 Y CB 1.381 39.778 38.460 -0.106 0.000 1.326 1192 Y HN 0.375 nan 8.280 nan 0.000 0.513 1193 Q N 2.539 122.348 119.800 0.015 0.000 2.323 1193 Q HA 0.670 5.010 4.340 -0.001 0.000 0.271 1193 Q C -1.717 174.148 176.000 -0.224 0.000 1.048 1193 Q CA -0.682 55.004 55.803 -0.194 0.000 0.792 1193 Q CB 2.141 30.749 28.738 -0.217 0.000 1.280 1193 Q HN 0.777 nan 8.270 nan 0.000 0.441 1194 I N -0.692 119.703 120.570 -0.292 0.000 2.969 1194 I HA 0.564 4.734 4.170 -0.001 0.000 0.307 1194 I C -1.179 174.766 176.117 -0.286 0.000 1.149 1194 I CA -1.087 60.065 61.300 -0.246 0.000 1.008 1194 I CB 2.420 40.360 38.000 -0.101 0.000 1.232 1194 I HN 0.533 nan 8.210 nan 0.000 0.435 1195 H N 4.891 123.920 119.070 -0.068 0.000 2.476 1195 H HA 0.742 5.298 4.556 -0.001 0.000 0.328 1195 H C -0.673 174.644 175.328 -0.017 0.000 1.073 1195 H CA -0.421 55.592 56.048 -0.059 0.000 1.229 1195 H CB 1.877 31.620 29.762 -0.032 0.000 1.432 1195 H HN 0.739 nan 8.280 nan 0.000 0.477 1196 I N 0.299 120.946 120.570 0.128 0.000 2.913 1196 I HA 0.466 4.635 4.170 -0.001 0.000 0.302 1196 I C -2.905 173.287 176.117 0.125 0.000 1.246 1196 I CA -2.676 58.687 61.300 0.104 0.000 1.010 1196 I CB 3.160 41.218 38.000 0.097 0.000 1.259 1196 I HN 0.178 nan 8.210 nan 0.000 0.434 1197 P HA -0.086 nan 4.420 nan 0.000 0.261 1197 P C 0.286 177.660 177.300 0.123 0.000 1.203 1197 P CA 0.458 63.611 63.100 0.088 0.000 0.767 1197 P CB 0.381 32.095 31.700 0.023 0.000 0.785 1198 Y N 5.187 125.535 120.300 0.080 0.000 2.132 1198 Y HA -0.369 4.181 4.550 -0.001 0.000 0.280 1198 Y C 2.455 178.333 175.900 -0.037 0.000 1.193 1198 Y CA 2.527 60.654 58.100 0.045 0.000 1.157 1198 Y CB -0.637 37.754 38.460 -0.115 0.000 0.966 1198 Y HN 0.489 nan 8.280 nan 0.000 0.511 1199 A N 0.294 123.247 122.820 0.222 0.000 1.927 1199 A HA -0.285 4.035 4.320 -0.001 0.000 0.220 1199 A C 2.392 179.931 177.584 -0.075 0.000 1.185 1199 A CA 2.279 54.372 52.037 0.092 0.000 0.639 1199 A CB -1.580 17.435 19.000 0.024 0.000 0.820 1199 A HN 0.671 nan 8.150 nan 0.000 0.451 1200 A N -0.056 122.663 122.820 -0.168 0.000 1.877 1200 A HA -0.171 4.149 4.320 -0.001 0.000 0.216 1200 A C 2.132 179.298 177.584 -0.696 0.000 1.186 1200 A CA 2.096 53.849 52.037 -0.474 0.000 0.620 1200 A CB -0.552 18.218 19.000 -0.384 0.000 0.822 1200 A HN 0.632 nan 8.150 nan 0.000 0.443 1201 K N -0.204 119.998 120.400 -0.329 0.000 2.015 1201 K HA -0.207 4.112 4.320 -0.001 0.000 0.216 1201 K C 1.978 178.478 176.600 -0.167 0.000 1.052 1201 K CA 2.011 58.198 56.287 -0.167 0.000 0.937 1201 K CB -0.527 31.846 32.500 -0.213 0.000 0.719 1201 K HN 0.427 nan 8.250 nan 0.000 0.446 1202 L N 0.994 122.107 121.223 -0.182 0.000 2.081 1202 L HA -0.215 4.124 4.340 -0.001 0.000 0.212 1202 L C 2.683 179.513 176.870 -0.066 0.000 1.080 1202 L CA 0.939 55.746 54.840 -0.056 0.000 0.754 1202 L CB -0.368 41.728 42.059 0.061 0.000 0.893 1202 L HN 0.379 nan 8.230 nan 0.000 0.433 1203 L N -0.513 120.590 121.223 -0.200 0.000 2.013 1203 L HA -0.265 4.074 4.340 -0.001 0.000 0.212 1203 L C 2.162 179.028 176.870 -0.008 0.000 1.073 1203 L CA 1.966 56.699 54.840 -0.177 0.000 0.753 1203 L CB -0.742 41.096 42.059 -0.370 0.000 0.890 1203 L HN 0.115 nan 8.230 nan 0.000 0.432 1204 F N -0.562 119.391 119.950 0.004 0.000 2.051 1204 F HA -0.258 4.269 4.527 -0.001 0.000 0.296 1204 F C 2.658 178.460 175.800 0.003 0.000 1.122 1204 F CA 1.171 59.171 58.000 -0.001 0.000 1.201 1204 F CB -0.623 38.373 39.000 -0.007 0.000 0.978 1204 F HN 0.132 nan 8.300 nan 0.000 0.472 1205 Q N 0.605 120.528 119.800 0.206 0.000 2.096 1205 Q HA -0.274 4.066 4.340 -0.001 0.000 0.208 1205 Q C 1.980 178.035 176.000 0.093 0.000 0.993 1205 Q CA 2.164 58.039 55.803 0.119 0.000 0.862 1205 Q CB -0.458 28.328 28.738 0.080 0.000 0.915 1205 Q HN 0.550 nan 8.270 nan 0.000 0.416 1206 E N 0.504 120.752 120.200 0.079 0.000 2.085 1206 E HA -0.204 4.145 4.350 -0.001 0.000 0.194 1206 E C 2.114 178.755 176.600 0.068 0.000 0.994 1206 E CA 0.965 57.402 56.400 0.062 0.000 0.801 1206 E CB -0.182 29.545 29.700 0.046 0.000 0.743 1206 E HN 0.329 nan 8.360 nan 0.000 0.453 1207 L N 0.209 121.489 121.223 0.096 0.000 1.994 1207 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 1207 L C 2.633 179.541 176.870 0.063 0.000 1.071 1207 L CA 1.211 56.103 54.840 0.087 0.000 0.745 1207 L CB -0.318 41.818 42.059 0.129 0.000 0.892 1207 L HN 0.208 nan 8.230 nan 0.000 0.431 1208 M N -0.613 119.028 119.600 0.069 0.000 2.082 1208 M HA -0.261 4.218 4.480 -0.001 0.000 0.258 1208 M C 2.414 178.738 176.300 0.040 0.000 1.069 1208 M CA 2.101 57.428 55.300 0.045 0.000 1.102 1208 M CB -0.645 31.985 32.600 0.050 0.000 1.336 1208 M HN 0.329 nan 8.290 nan 0.000 0.404 1209 A N -0.415 122.432 122.820 0.045 0.000 2.076 1209 A HA -0.129 4.190 4.320 -0.001 0.000 0.220 1209 A C 1.972 179.575 177.584 0.032 0.000 1.160 1209 A CA 1.420 53.480 52.037 0.038 0.000 0.653 1209 A CB -0.689 18.335 19.000 0.040 0.000 0.801 1209 A HN 0.544 nan 8.150 nan 0.000 0.455 1210 M N -1.066 118.553 119.600 0.032 0.000 2.453 1210 M HA 0.109 4.588 4.480 -0.001 0.000 0.239 1210 M C 0.643 176.956 176.300 0.022 0.000 1.151 1210 M CA 0.004 55.320 55.300 0.026 0.000 0.989 1210 M CB -0.032 32.585 32.600 0.028 0.000 1.548 1210 M HN 0.594 nan 8.290 nan 0.000 0.479 1211 N N 0.996 119.709 118.700 0.021 0.000 2.878 1211 N HA -0.172 4.567 4.740 -0.001 0.000 0.247 1211 N C -0.563 174.953 175.510 0.010 0.000 1.021 1211 N CA 0.536 53.595 53.050 0.015 0.000 0.873 1211 N CB -0.627 37.868 38.487 0.013 0.000 1.128 1211 N HN 0.391 nan 8.380 nan 0.000 0.571 1212 I N 1.716 122.294 120.570 0.013 0.000 2.392 1212 I HA 0.168 4.337 4.170 -0.001 0.000 0.295 1212 I C 0.644 176.756 176.117 -0.008 0.000 0.985 1212 I CA -0.295 61.006 61.300 0.003 0.000 1.221 1212 I CB 1.522 39.528 38.000 0.009 0.000 1.366 1212 I HN 0.096 nan 8.210 nan 0.000 0.467 1213 T N 4.480 119.015 114.554 -0.032 0.000 2.749 1213 T HA 0.549 4.898 4.350 -0.001 0.000 0.287 1213 T C -2.370 172.258 174.700 -0.120 0.000 0.970 1213 T CA -1.565 60.498 62.100 -0.062 0.000 0.980 1213 T CB 1.160 69.994 68.868 -0.056 0.000 0.924 1213 T HN 0.351 nan 8.240 nan 0.000 0.456 1214 P HA 0.394 nan 4.420 nan 0.000 0.295 1214 P C -0.663 176.406 177.300 -0.385 0.000 1.397 1214 P CA -0.747 62.148 63.100 -0.341 0.000 0.903 1214 P CB 0.787 32.160 31.700 -0.545 0.000 1.028 1215 R N 3.330 123.616 120.500 -0.357 0.000 2.265 1215 R HA 0.427 4.767 4.340 -0.001 0.000 0.314 1215 R C 0.011 176.064 176.300 -0.411 0.000 1.053 1215 R CA -0.679 55.183 56.100 -0.396 0.000 0.931 1215 R CB 1.111 31.054 30.300 -0.594 0.000 1.024 1215 R HN 0.547 nan 8.270 nan 0.000 0.457 1216 L N 5.259 126.343 121.223 -0.231 0.000 2.264 1216 L HA 0.356 4.695 4.340 -0.001 0.000 0.287 1216 L C -0.789 176.183 176.870 0.170 0.000 1.039 1216 L CA -0.578 54.199 54.840 -0.106 0.000 0.829 1216 L CB 0.314 42.326 42.059 -0.078 0.000 1.211 1216 L HN 0.337 nan 8.230 nan 0.000 0.427 1217 Y N 0.971 121.199 120.300 -0.119 0.000 2.377 1217 Y HA 0.198 4.747 4.550 -0.001 0.000 0.339 1217 Y C 1.431 177.224 175.900 -0.180 0.000 1.011 1217 Y CA -1.638 56.378 58.100 -0.139 0.000 1.093 1217 Y CB 2.101 40.497 38.460 -0.107 0.000 1.201 1217 Y HN 0.535 nan 8.280 nan 0.000 0.455 1218 T N -2.375 112.082 114.554 -0.163 0.000 3.169 1218 T HA 0.154 4.503 4.350 -0.001 0.000 0.250 1218 T C -0.440 174.135 174.700 -0.209 0.000 1.111 1218 T CA -0.007 61.931 62.100 -0.269 0.000 1.010 1218 T CB -0.609 67.903 68.868 -0.594 0.000 0.984 1218 T HN 0.530 nan 8.240 nan 0.000 0.537 1219 D N 0.203 120.525 120.400 -0.131 0.000 2.857 1219 D HA 0.327 4.967 4.640 -0.001 0.000 0.227 1219 D C -0.564 175.726 176.300 -0.017 0.000 1.192 1219 D CA -1.044 52.905 54.000 -0.086 0.000 0.857 1219 D CB 1.145 41.877 40.800 -0.113 0.000 1.645 1219 D HN 0.358 nan 8.370 nan 0.000 0.482 1220 R N 0.441 120.937 120.500 -0.007 0.000 2.297 1220 R HA 0.575 4.915 4.340 -0.001 0.000 0.308 1220 R C -0.066 176.243 176.300 0.015 0.000 1.029 1220 R CA -0.674 55.437 56.100 0.019 0.000 0.929 1220 R CB 0.946 31.259 30.300 0.022 0.000 1.046 1220 R HN 0.531 nan 8.270 nan 0.000 0.461 1221 S N 1.925 117.643 115.700 0.031 0.000 2.559 1221 S HA 0.048 4.517 4.470 -0.001 0.000 0.226 1221 S C 1.475 176.086 174.600 0.018 0.000 1.030 1221 S CA -0.586 57.626 58.200 0.019 0.000 0.956 1221 S CB 0.187 63.405 63.200 0.030 0.000 0.900 1221 S HN 0.728 nan 8.310 nan 0.000 0.510 1222 R N 1.377 121.899 120.500 0.037 0.000 2.310 1222 R HA 0.086 4.426 4.340 -0.001 0.000 0.202 1222 R C -0.518 175.804 176.300 0.036 0.000 0.933 1222 R CA 0.502 56.630 56.100 0.047 0.000 1.054 1222 R CB -0.247 30.103 30.300 0.084 0.000 0.985 1222 R HN 0.322 nan 8.270 nan 0.000 0.489 1223 D N -1.357 119.055 120.400 0.020 0.000 3.841 1223 D HA -0.273 4.366 4.640 -0.001 0.000 0.276 1223 D C 0.059 176.431 176.300 0.119 0.000 2.088 1223 D CA 1.767 55.761 54.000 -0.010 0.000 1.152 1223 D CB -0.482 40.232 40.800 -0.144 0.000 0.944 1223 D HN 0.130 nan 8.370 nan 0.000 1.144 1224 F N 0.000 119.948 119.950 -0.004 0.000 2.286 1224 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 1224 F CA 0.000 57.998 58.000 -0.004 0.000 1.383 1224 F CB 0.000 38.998 39.000 -0.004 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574