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 2yu9_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXE ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKRTYEA IDXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGRRGT ALGIKKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN AKTITSGLKY ALATGNWGEQ DATA SEQUENCE KKAMSSRAGV SQVLNRYTYS STLSHLRRTN TPIXXXXXXA KPRQLHNTHW DATA SEQUENCE GLVCPAETPE GQACGLVKNL SLMSCISVGT DPMPIITFLS EWGMEPLEDY DATA SEQUENCE VPHQSPDATR VFVNGVWHGV HRNPARLMET LRTLRRKGDI NPEVSMIRDI DATA SEQUENCE REKELKIFTD AGRVYRPLFI VEDDESLGHK ELKVRKGHIA KLMATEYQDX DATA SEQUENCE XXXXXXXXEY TWSSLLNEGL VEYIDAEEEE SILIAMQPED LEPAXXXXXX 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 0.000 176.282 176.300 -0.031 0.000 2.045 20 D CA 0.000 53.986 54.000 -0.024 0.000 0.868 20 D CB 0.000 40.789 40.800 -0.019 0.000 0.688 21 E N -0.491 119.684 120.200 -0.042 0.000 2.676 21 E HA 0.227 4.581 4.350 0.005 0.000 0.225 21 E C -0.509 176.053 176.600 -0.064 0.000 0.944 21 E CA -0.327 56.037 56.400 -0.060 0.000 1.156 21 E CB 0.747 30.395 29.700 -0.086 0.000 1.117 21 E HN 0.044 nan 8.360 nan 0.000 0.523 22 S N 1.160 116.834 115.700 -0.044 0.000 2.835 22 S HA 0.596 5.069 4.470 0.005 0.000 0.194 22 S C -0.464 174.126 174.600 -0.016 0.000 1.364 22 S CA -0.121 58.061 58.200 -0.031 0.000 1.167 22 S CB 0.723 63.908 63.200 -0.026 0.000 1.223 22 S HN 0.466 nan 8.310 nan 0.000 0.512 23 A N 2.778 125.588 122.820 -0.017 0.000 2.539 23 A HA 0.881 5.205 4.320 0.005 0.000 0.296 23 A C -2.991 174.582 177.584 -0.017 0.000 1.073 23 A CA -1.900 50.130 52.037 -0.012 0.000 0.700 23 A CB 1.123 20.117 19.000 -0.010 0.000 1.296 23 A HN 0.275 nan 8.150 nan 0.000 0.405 24 P HA 0.255 nan 4.420 nan 0.000 0.272 24 P C -0.340 176.935 177.300 -0.042 0.000 1.223 24 P CA -0.084 62.992 63.100 -0.039 0.000 0.784 24 P CB 0.439 32.117 31.700 -0.037 0.000 0.923 25 I N 1.692 122.217 120.570 -0.074 0.000 2.634 25 I HA 0.060 4.233 4.170 0.005 0.000 0.284 25 I C 1.348 177.437 176.117 -0.047 0.000 1.124 25 I CA 0.433 61.688 61.300 -0.076 0.000 1.417 25 I CB -0.146 37.754 38.000 -0.166 0.000 1.396 25 I HN 0.396 nan 8.210 nan 0.000 0.571 26 T N 1.996 116.545 114.554 -0.008 0.000 2.922 26 T HA 0.457 4.811 4.350 0.005 0.000 0.285 26 T C 1.240 175.968 174.700 0.046 0.000 1.005 26 T CA -0.352 61.761 62.100 0.021 0.000 1.061 26 T CB 1.586 70.479 68.868 0.042 0.000 1.007 26 T HN 0.634 nan 8.240 nan 0.000 0.502 27 A N 0.630 123.497 122.820 0.079 0.000 2.032 27 A HA -0.139 4.184 4.320 0.005 0.000 0.221 27 A C 2.152 179.864 177.584 0.213 0.000 1.165 27 A CA 1.982 54.104 52.037 0.142 0.000 0.645 27 A CB -0.943 18.168 19.000 0.184 0.000 0.807 27 A HN 1.001 nan 8.150 nan 0.000 0.453 28 E N 0.121 120.443 120.200 0.203 0.000 2.285 28 E HA -0.121 4.232 4.350 0.005 0.000 0.194 28 E C 1.027 177.760 176.600 0.222 0.000 0.997 28 E CA 1.046 57.602 56.400 0.260 0.000 0.845 28 E CB -0.185 29.617 29.700 0.171 0.000 0.782 28 E HN 0.471 nan 8.360 nan 0.000 0.491 29 D N -0.204 120.277 120.400 0.135 0.000 2.350 29 D HA -0.097 4.547 4.640 0.005 0.000 0.216 29 D C 1.643 178.014 176.300 0.119 0.000 0.968 29 D CA 1.118 55.181 54.000 0.105 0.000 0.894 29 D CB 0.077 40.903 40.800 0.043 0.000 0.909 29 D HN 0.321 nan 8.370 nan 0.000 0.520 30 S N -1.235 114.539 115.700 0.124 0.000 2.446 30 S HA -0.104 4.369 4.470 0.005 0.000 0.225 30 S C 1.918 176.578 174.600 0.099 0.000 1.016 30 S CA -0.130 58.138 58.200 0.113 0.000 0.943 30 S CB -0.620 62.649 63.200 0.115 0.000 0.786 30 S HN 0.264 nan 8.310 nan 0.000 0.508 31 W N 2.263 123.620 121.300 0.095 0.000 2.350 31 W HA 0.066 4.730 4.660 0.005 0.000 0.289 31 W C 2.853 179.487 176.519 0.191 0.000 1.215 31 W CA 0.921 58.328 57.345 0.103 0.000 1.236 31 W CB -0.466 29.017 29.460 0.039 0.000 1.130 31 W HN 0.468 nan 8.180 nan 0.000 0.541 32 A N -0.209 122.833 122.820 0.370 0.000 1.917 32 A HA -0.220 4.103 4.320 0.005 0.000 0.219 32 A C 2.020 179.783 177.584 0.299 0.000 1.182 32 A CA 2.277 54.499 52.037 0.308 0.000 0.633 32 A CB -1.144 17.997 19.000 0.235 0.000 0.819 32 A HN 0.104 nan 8.150 nan 0.000 0.448 33 V N -0.089 119.990 119.914 0.276 0.000 2.261 33 V HA -0.283 3.840 4.120 0.005 0.000 0.246 33 V C 2.418 178.689 176.094 0.296 0.000 1.047 33 V CA 2.175 64.670 62.300 0.325 0.000 1.015 33 V CB -0.770 31.297 31.823 0.407 0.000 0.642 33 V HN 0.562 nan 8.190 nan 0.000 0.446 34 I N 0.058 120.710 120.570 0.136 0.000 2.113 34 I HA -0.277 3.896 4.170 0.005 0.000 0.242 34 I C 2.525 178.653 176.117 0.019 0.000 1.064 34 I CA 1.957 63.248 61.300 -0.016 0.000 1.320 34 I CB -0.717 37.218 38.000 -0.109 0.000 1.028 34 I HN 0.145 nan 8.210 nan 0.000 0.406 35 S N -0.465 115.352 115.700 0.195 0.000 2.571 35 S HA -0.096 4.377 4.470 0.005 0.000 0.245 35 S C 1.847 176.599 174.600 0.253 0.000 0.976 35 S CA 0.998 59.371 58.200 0.288 0.000 0.954 35 S CB -0.318 63.190 63.200 0.514 0.000 0.756 35 S HN 0.535 nan 8.310 nan 0.000 0.535 36 A N 0.093 123.068 122.820 0.258 0.000 1.938 36 A HA 0.372 4.695 4.320 0.005 0.000 0.207 36 A C 0.586 178.310 177.584 0.234 0.000 1.292 36 A CA -0.305 51.916 52.037 0.305 0.000 0.700 36 A CB -0.517 18.733 19.000 0.417 0.000 0.947 36 A HN 0.395 nan 8.150 nan 0.000 0.476 37 F N -0.154 119.734 119.950 -0.104 0.000 2.641 37 F HA 0.058 4.589 4.527 0.006 0.000 0.350 37 F C 1.021 176.527 175.800 -0.490 0.000 1.120 37 F CA 1.655 59.181 58.000 -0.792 0.000 1.348 37 F CB -0.263 37.980 39.000 -1.262 0.000 1.005 37 F HN 0.491 nan 8.300 nan 0.000 0.621 38 F N -0.384 119.132 119.950 -0.722 0.000 2.551 38 F HA -0.515 4.016 4.527 0.005 0.000 0.704 38 F C 2.139 177.812 175.800 -0.213 0.000 0.486 38 F CA 1.549 59.304 58.000 -0.407 0.000 0.741 38 F CB -1.424 37.426 39.000 -0.249 0.000 1.617 38 F HN 0.473 nan 8.300 nan 0.000 0.268 39 R N 0.608 121.173 120.500 0.107 0.000 2.208 39 R HA -0.270 4.074 4.340 0.005 0.000 0.262 39 R C 1.775 178.092 176.300 0.028 0.000 1.166 39 R CA 2.535 58.696 56.100 0.101 0.000 0.987 39 R CB -0.291 30.094 30.300 0.142 0.000 0.887 39 R HN 0.722 nan 8.270 nan 0.000 0.459 40 E N -0.862 119.299 120.200 -0.065 0.000 2.075 40 E HA -0.033 4.320 4.350 0.005 0.000 0.193 40 E C 1.706 178.204 176.600 -0.170 0.000 0.950 40 E CA 0.085 56.433 56.400 -0.087 0.000 0.859 40 E CB 0.175 29.848 29.700 -0.045 0.000 0.846 40 E HN 0.159 nan 8.360 nan 0.000 0.467 41 K N 0.189 120.358 120.400 -0.384 0.000 2.026 41 K HA -0.036 4.288 4.320 0.005 0.000 0.208 41 K C 1.049 177.519 176.600 -0.216 0.000 1.048 41 K CA 0.915 56.967 56.287 -0.393 0.000 0.929 41 K CB -0.225 31.809 32.500 -0.776 0.000 0.713 41 K HN 0.335 nan 8.250 nan 0.000 0.439 42 G N 0.358 109.074 108.800 -0.140 0.000 2.642 42 G HA2 -0.262 3.701 3.960 0.005 0.000 0.231 42 G HA3 -0.262 3.701 3.960 0.005 0.000 0.231 42 G C 0.190 175.127 174.900 0.061 0.000 1.338 42 G CA -0.363 44.744 45.100 0.010 0.000 0.883 42 G HN 0.073 nan 8.290 nan 0.000 0.570 43 L N 0.016 121.266 121.223 0.045 0.000 2.221 43 L HA 0.206 4.549 4.340 0.005 0.000 0.202 43 L C 2.249 179.124 176.870 0.008 0.000 1.074 43 L CA 2.312 57.182 54.840 0.050 0.000 0.795 43 L CB -0.326 41.738 42.059 0.008 0.000 0.960 43 L HN 1.088 nan 8.230 nan 0.000 0.458 44 V N -2.208 117.690 119.914 -0.027 0.000 2.412 44 V HA 0.246 4.369 4.120 0.005 0.000 0.270 44 V C 1.484 177.542 176.094 -0.061 0.000 1.169 44 V CA 0.263 62.534 62.300 -0.048 0.000 1.319 44 V CB -0.293 31.492 31.823 -0.062 0.000 1.467 44 V HN 0.284 nan 8.190 nan 0.000 0.535 45 S N 2.377 118.036 115.700 -0.070 0.000 2.371 45 S HA -0.227 4.246 4.470 0.005 0.000 0.224 45 S C 1.753 176.315 174.600 -0.063 0.000 1.029 45 S CA 1.343 59.490 58.200 -0.088 0.000 0.978 45 S CB -0.284 62.825 63.200 -0.153 0.000 0.833 45 S HN 0.748 nan 8.310 nan 0.000 0.466 46 Q N 1.197 120.960 119.800 -0.062 0.000 2.187 46 Q HA 0.140 4.483 4.340 0.005 0.000 0.199 46 Q C 2.154 178.148 176.000 -0.011 0.000 0.957 46 Q CA 0.981 56.761 55.803 -0.039 0.000 0.857 46 Q CB -0.645 28.061 28.738 -0.053 0.000 0.929 46 Q HN 0.451 nan 8.270 nan 0.000 0.453 47 Q N 0.482 120.266 119.800 -0.026 0.000 2.084 47 Q HA -0.024 4.319 4.340 0.005 0.000 0.202 47 Q C 2.176 178.181 176.000 0.008 0.000 0.978 47 Q CA 1.100 56.892 55.803 -0.018 0.000 0.844 47 Q CB -0.169 28.529 28.738 -0.067 0.000 0.898 47 Q HN 0.458 nan 8.270 nan 0.000 0.426 48 L N 0.681 121.894 121.223 -0.016 0.000 2.141 48 L HA -0.183 4.161 4.340 0.005 0.000 0.209 48 L C 1.963 178.874 176.870 0.068 0.000 1.094 48 L CA 0.872 55.720 54.840 0.012 0.000 0.763 48 L CB -0.186 41.857 42.059 -0.026 0.000 0.908 48 L HN 0.181 nan 8.230 nan 0.000 0.437 49 D N -1.076 119.351 120.400 0.044 0.000 2.085 49 D HA -0.173 4.470 4.640 0.005 0.000 0.199 49 D C 2.227 178.581 176.300 0.089 0.000 0.981 49 D CA 1.460 55.492 54.000 0.054 0.000 0.834 49 D CB 0.078 40.894 40.800 0.026 0.000 0.992 49 D HN 0.097 nan 8.370 nan 0.000 0.457 50 S N 0.028 115.784 115.700 0.093 0.000 2.368 50 S HA -0.231 4.243 4.470 0.005 0.000 0.226 50 S C 1.897 176.611 174.600 0.189 0.000 1.044 50 S CA 1.078 59.349 58.200 0.119 0.000 1.062 50 S CB -0.571 62.690 63.200 0.102 0.000 0.931 50 S HN 0.225 nan 8.310 nan 0.000 0.440 51 F N 2.514 122.517 119.950 0.090 0.000 2.269 51 F HA -0.016 4.514 4.527 0.005 0.000 0.301 51 F C 2.031 177.934 175.800 0.171 0.000 1.082 51 F CA 1.321 59.410 58.000 0.149 0.000 1.360 51 F CB -0.295 38.772 39.000 0.112 0.000 1.041 51 F HN 0.269 nan 8.300 nan 0.000 0.512 52 N N -0.073 118.710 118.700 0.139 0.000 2.333 52 N HA -0.127 4.616 4.740 0.005 0.000 0.178 52 N C 1.793 177.328 175.510 0.042 0.000 1.018 52 N CA 0.760 53.844 53.050 0.056 0.000 0.882 52 N CB -0.375 38.166 38.487 0.089 0.000 0.984 52 N HN 0.323 nan 8.380 nan 0.000 0.434 53 Q N 0.744 120.593 119.800 0.082 0.000 2.020 53 Q HA -0.050 4.293 4.340 0.005 0.000 0.202 53 Q C 1.830 177.875 176.000 0.075 0.000 0.982 53 Q CA 1.301 57.165 55.803 0.102 0.000 0.838 53 Q CB -0.812 27.962 28.738 0.060 0.000 0.899 53 Q HN 0.344 nan 8.270 nan 0.000 0.423 54 F N -0.478 119.407 119.950 -0.109 0.000 2.192 54 F HA -0.168 4.362 4.527 0.005 0.000 0.301 54 F C 1.614 177.239 175.800 -0.291 0.000 1.079 54 F CA 1.313 59.202 58.000 -0.185 0.000 1.303 54 F CB -0.043 38.833 39.000 -0.206 0.000 1.024 54 F HN 0.010 nan 8.300 nan 0.000 0.494 55 V N 0.248 119.942 119.914 -0.367 0.000 2.426 55 V HA -0.181 3.942 4.120 0.005 0.000 0.242 55 V C 2.043 177.912 176.094 -0.375 0.000 1.036 55 V CA 1.991 64.008 62.300 -0.472 0.000 1.044 55 V CB -0.499 31.086 31.823 -0.397 0.000 0.688 55 V HN 0.254 nan 8.190 nan 0.000 0.462 56 D N -1.100 119.153 120.400 -0.245 0.000 2.097 56 D HA -0.129 4.514 4.640 0.005 0.000 0.197 56 D C 1.881 177.909 176.300 -0.454 0.000 0.984 56 D CA 1.773 55.580 54.000 -0.322 0.000 0.826 56 D CB 0.040 40.669 40.800 -0.286 0.000 0.973 56 D HN 0.489 nan 8.370 nan 0.000 0.460 57 Y N 1.000 121.169 120.300 -0.217 0.000 2.296 57 Y HA 0.009 4.562 4.550 0.006 0.000 0.271 57 Y C 2.805 178.542 175.900 -0.271 0.000 1.102 57 Y CA 0.558 58.539 58.100 -0.199 0.000 1.147 57 Y CB -0.970 37.409 38.460 -0.135 0.000 1.070 57 Y HN -0.219 nan 8.280 nan 0.000 0.495 58 T N 1.597 116.095 114.554 -0.093 0.000 2.602 58 T HA -0.321 4.033 4.350 0.005 0.000 0.264 58 T C 1.928 176.380 174.700 -0.414 0.000 1.085 58 T CA 2.284 64.246 62.100 -0.230 0.000 1.164 58 T CB -0.919 67.823 68.868 -0.210 0.000 0.860 58 T HN 0.182 nan 8.240 nan 0.000 0.442 59 L N 0.909 121.689 121.223 -0.738 0.000 2.043 59 L HA -0.168 4.176 4.340 0.005 0.000 0.212 59 L C 2.647 179.219 176.870 -0.497 0.000 1.075 59 L CA 1.988 56.340 54.840 -0.812 0.000 0.752 59 L CB -0.633 40.827 42.059 -0.999 0.000 0.891 59 L HN 0.244 nan 8.230 nan 0.000 0.432 60 Q N -0.645 118.922 119.800 -0.387 0.000 2.197 60 Q HA -0.246 4.097 4.340 0.005 0.000 0.207 60 Q C 1.609 177.491 176.000 -0.197 0.000 0.984 60 Q CA 2.311 57.949 55.803 -0.275 0.000 0.869 60 Q CB -0.101 28.490 28.738 -0.245 0.000 0.906 60 Q HN 0.587 nan 8.270 nan 0.000 0.426 61 D N -1.057 119.239 120.400 -0.173 0.000 2.201 61 D HA -0.007 4.636 4.640 0.005 0.000 0.209 61 D C 1.528 177.779 176.300 -0.082 0.000 0.961 61 D CA 0.482 54.423 54.000 -0.099 0.000 0.861 61 D CB 0.020 40.781 40.800 -0.065 0.000 0.997 61 D HN 0.190 nan 8.370 nan 0.000 0.486 62 I N 0.861 121.361 120.570 -0.116 0.000 2.248 62 I HA -0.249 3.925 4.170 0.005 0.000 0.248 62 I C 2.067 178.118 176.117 -0.109 0.000 1.107 62 I CA 0.882 62.149 61.300 -0.054 0.000 1.373 62 I CB -0.679 37.336 38.000 0.025 0.000 1.055 62 I HN 0.047 nan 8.210 nan 0.000 0.418 63 I N 0.726 121.115 120.570 -0.302 0.000 2.039 63 I HA -0.286 3.888 4.170 0.005 0.000 0.233 63 I C 1.364 177.546 176.117 0.107 0.000 1.040 63 I CA 1.339 62.491 61.300 -0.247 0.000 1.308 63 I CB -0.476 37.363 38.000 -0.268 0.000 1.035 63 I HN 0.161 nan 8.210 nan 0.000 0.392 64 C N 2.545 121.869 119.300 0.040 0.000 2.669 64 C HA 0.113 4.576 4.460 0.005 0.000 0.380 64 C C 1.265 176.297 174.990 0.071 0.000 1.145 64 C CA 0.284 59.345 59.018 0.071 0.000 1.349 64 C CB -2.275 25.478 27.740 0.021 0.000 1.941 64 C HN 0.499 nan 8.230 nan 0.000 0.559 65 E N 0.729 120.996 120.200 0.112 0.000 3.581 65 E HA -0.031 4.322 4.350 0.005 0.000 0.213 65 E C 0.634 177.280 176.600 0.076 0.000 1.220 65 E CA -0.105 56.342 56.400 0.079 0.000 1.133 65 E CB -0.162 29.583 29.700 0.075 0.000 3.030 65 E HN 0.615 nan 8.360 nan 0.000 0.740 66 D N 1.112 121.563 120.400 0.085 0.000 2.349 66 D HA -0.069 4.574 4.640 0.005 0.000 0.215 66 D C 1.510 177.847 176.300 0.060 0.000 1.016 66 D CA 1.109 55.137 54.000 0.046 0.000 0.870 66 D CB -0.009 40.802 40.800 0.018 0.000 0.917 66 D HN 0.166 nan 8.370 nan 0.000 0.524 67 S N 1.021 116.826 115.700 0.174 0.000 2.434 67 S HA -0.274 4.199 4.470 0.005 0.000 0.250 67 S C 1.246 175.900 174.600 0.090 0.000 1.102 67 S CA 1.761 60.152 58.200 0.318 0.000 1.104 67 S CB -2.137 61.358 63.200 0.491 0.000 0.957 67 S HN 0.534 nan 8.310 nan 0.000 0.456 68 T N 1.515 116.064 114.554 -0.009 0.000 2.888 68 T HA 0.570 4.924 4.350 0.005 0.000 0.301 68 T C -0.110 174.515 174.700 -0.124 0.000 1.001 68 T CA -0.607 61.426 62.100 -0.112 0.000 1.147 68 T CB 0.541 69.371 68.868 -0.063 0.000 0.931 68 T HN 0.335 nan 8.240 nan 0.000 0.541 69 L N 2.969 124.098 121.223 -0.158 0.000 2.333 69 L HA 0.697 5.040 4.340 0.005 0.000 0.269 69 L C -0.359 176.507 176.870 -0.006 0.000 1.010 69 L CA -1.329 53.463 54.840 -0.080 0.000 0.818 69 L CB 1.800 43.838 42.059 -0.035 0.000 1.306 69 L HN 0.534 nan 8.230 nan 0.000 0.430 90 I N 3.537 124.001 120.570 -0.177 0.000 2.418 90 I HA 0.302 4.475 4.170 0.005 0.000 0.287 90 I C -0.004 175.884 176.117 -0.382 0.000 1.008 90 I CA -0.584 60.570 61.300 -0.244 0.000 1.104 90 I CB 1.273 39.138 38.000 -0.226 0.000 1.264 90 I HN 0.513 nan 8.210 nan 0.000 0.438 91 S N 6.169 121.654 115.700 -0.358 0.000 2.561 91 S HA 0.735 5.208 4.470 0.005 0.000 0.303 91 S C -0.737 173.693 174.600 -0.283 0.000 1.110 91 S CA -0.639 57.361 58.200 -0.333 0.000 1.034 91 S CB 1.176 64.288 63.200 -0.146 0.000 1.010 91 S HN 0.254 nan 8.310 nan 0.000 0.482 92 F N 1.679 121.662 119.950 0.054 0.000 2.380 92 F HA 0.797 5.328 4.527 0.006 0.000 0.321 92 F C 1.409 177.236 175.800 0.044 0.000 1.103 92 F CA -0.059 57.986 58.000 0.075 0.000 1.067 92 F CB 1.534 40.623 39.000 0.148 0.000 1.265 92 F HN 0.972 nan 8.300 nan 0.000 0.517 93 G N 0.052 109.002 108.800 0.249 0.000 3.159 93 G HA2 0.161 4.124 3.960 0.005 0.000 0.150 93 G HA3 0.161 4.124 3.960 0.005 0.000 0.150 93 G C -1.044 173.857 174.900 0.002 0.000 1.193 93 G CA -0.721 44.435 45.100 0.094 0.000 1.177 93 G HN 0.296 nan 8.290 nan 0.000 0.635 94 K N 0.688 121.051 120.400 -0.062 0.000 2.504 94 K HA 0.007 4.331 4.320 0.005 0.000 0.278 94 K C -0.939 175.483 176.600 -0.297 0.000 1.025 94 K CA 0.151 56.301 56.287 -0.227 0.000 1.093 94 K CB 0.383 32.706 32.500 -0.294 0.000 0.873 94 K HN 0.319 nan 8.250 nan 0.000 0.483 95 I N 6.106 126.461 120.570 -0.358 0.000 2.359 95 I HA 0.156 4.329 4.170 0.005 0.000 0.284 95 I C -1.004 174.914 176.117 -0.331 0.000 1.018 95 I CA -0.542 60.590 61.300 -0.280 0.000 1.173 95 I CB 0.285 38.137 38.000 -0.247 0.000 1.326 95 I HN 0.379 nan 8.210 nan 0.000 0.462 96 Y N 5.240 125.520 120.300 -0.034 0.000 2.316 96 Y HA 0.636 5.190 4.550 0.006 0.000 0.324 96 Y C 0.074 175.949 175.900 -0.040 0.000 1.267 96 Y CA -0.616 57.458 58.100 -0.045 0.000 1.311 96 Y CB 1.107 39.550 38.460 -0.029 0.000 1.267 96 Y HN 0.188 nan 8.280 nan 0.000 0.516 97 V N 0.872 120.842 119.914 0.094 0.000 2.709 97 V HA 0.396 4.519 4.120 0.005 0.000 0.308 97 V C -0.177 175.918 176.094 0.001 0.000 1.062 97 V CA -1.178 61.141 62.300 0.032 0.000 0.901 97 V CB 1.753 33.554 31.823 -0.037 0.000 1.003 97 V HN 0.905 nan 8.190 nan 0.000 0.425 98 T N 1.082 115.635 114.554 -0.002 0.000 2.849 98 T HA 0.458 4.811 4.350 0.005 0.000 0.284 98 T C -0.149 174.501 174.700 -0.083 0.000 1.004 98 T CA -0.823 61.243 62.100 -0.058 0.000 1.021 98 T CB 0.987 69.835 68.868 -0.035 0.000 1.013 98 T HN 0.473 nan 8.240 nan 0.000 0.527 99 K N 1.745 122.068 120.400 -0.129 0.000 2.218 99 K HA 0.299 4.622 4.320 0.005 0.000 0.276 99 K C -2.540 173.949 176.600 -0.185 0.000 1.022 99 K CA -2.010 54.121 56.287 -0.260 0.000 0.946 99 K CB 0.645 32.931 32.500 -0.356 0.000 1.000 99 K HN 0.430 nan 8.250 nan 0.000 0.468 100 P HA -0.093 nan 4.420 nan 0.000 0.261 100 P C -0.675 176.624 177.300 -0.001 0.000 1.165 100 P CA 1.050 64.028 63.100 -0.204 0.000 0.759 100 P CB 0.351 31.732 31.700 -0.531 0.000 0.772 101 M N 1.819 121.417 119.600 -0.002 0.000 2.631 101 M HA 0.610 5.093 4.480 0.005 0.000 0.288 101 M C -0.767 175.572 176.300 0.064 0.000 1.260 101 M CA -1.089 54.235 55.300 0.040 0.000 0.842 101 M CB 2.526 35.167 32.600 0.069 0.000 1.743 101 M HN -0.033 nan 8.290 nan 0.000 0.461 102 V N 0.801 120.769 119.914 0.089 0.000 2.914 102 V HA 0.566 4.689 4.120 0.005 0.000 0.314 102 V C -1.416 174.736 176.094 0.098 0.000 1.084 102 V CA -0.594 61.769 62.300 0.105 0.000 0.963 102 V CB 2.412 34.311 31.823 0.126 0.000 1.025 102 V HN 0.850 nan 8.190 nan 0.000 0.432 103 N N 3.532 122.278 118.700 0.078 0.000 2.469 103 N HA 0.342 5.085 4.740 0.005 0.000 0.253 103 N C -0.858 174.674 175.510 0.038 0.000 0.970 103 N CA -0.351 52.730 53.050 0.052 0.000 0.940 103 N CB 1.173 39.682 38.487 0.036 0.000 1.128 103 N HN 0.621 nan 8.380 nan 0.000 0.503 104 E N 1.066 121.284 120.200 0.029 0.000 2.130 104 E HA 0.089 4.442 4.350 0.005 0.000 0.284 104 E C -0.124 176.480 176.600 0.007 0.000 1.018 104 E CA -0.340 56.067 56.400 0.012 0.000 0.817 104 E CB 0.676 30.370 29.700 -0.010 0.000 1.078 104 E HN 0.488 nan 8.360 nan 0.000 0.396 105 S N 3.122 118.828 115.700 0.009 0.000 2.571 105 S HA -0.064 4.409 4.470 0.005 0.000 0.297 105 S C 0.228 174.831 174.600 0.006 0.000 1.234 105 S CA -0.486 57.720 58.200 0.009 0.000 1.120 105 S CB 0.056 63.265 63.200 0.015 0.000 0.923 105 S HN 0.533 nan 8.310 nan 0.000 0.504 106 D N 1.594 121.996 120.400 0.004 0.000 3.845 106 D HA 0.009 4.652 4.640 0.005 0.000 0.227 106 D C 0.250 176.550 176.300 0.001 0.000 1.092 106 D CA 2.169 56.170 54.000 0.002 0.000 1.148 106 D CB -1.109 39.693 40.800 0.003 0.000 0.803 106 D HN 1.220 nan 8.370 nan 0.000 0.395 107 G N -0.039 108.762 108.800 0.001 0.000 2.322 107 G HA2 0.470 4.433 3.960 0.005 0.000 0.295 107 G HA3 0.470 4.433 3.960 0.005 0.000 0.295 107 G C -0.589 174.316 174.900 0.008 0.000 1.369 107 G CA -0.241 44.859 45.100 -0.000 0.000 0.821 107 G HN 0.562 nan 8.290 nan 0.000 0.536 108 V N -0.022 119.901 119.914 0.015 0.000 3.083 108 V HA 0.478 4.601 4.120 0.005 0.000 0.306 108 V C 0.804 176.931 176.094 0.056 0.000 1.077 108 V CA -0.284 62.037 62.300 0.036 0.000 1.073 108 V CB 1.384 33.237 31.823 0.051 0.000 1.081 108 V HN 0.820 nan 8.190 nan 0.000 0.474 109 T N 2.177 116.769 114.554 0.064 0.000 2.776 109 T HA 0.188 4.541 4.350 0.005 0.000 0.292 109 T C -0.162 174.610 174.700 0.121 0.000 0.921 109 T CA -0.041 62.108 62.100 0.082 0.000 1.038 109 T CB -0.591 68.315 68.868 0.063 0.000 0.910 109 T HN 0.679 nan 8.240 nan 0.000 0.536 110 H N 2.573 121.646 119.070 0.006 0.000 2.732 110 H HA 0.465 5.026 4.556 0.008 0.000 0.351 110 H C 0.199 175.503 175.328 -0.039 0.000 1.090 110 H CA -0.547 55.495 56.048 -0.011 0.000 1.431 110 H CB 0.492 30.255 29.762 0.002 0.000 1.447 110 H HN 0.764 nan 8.280 nan 0.000 0.582 111 A N 5.412 128.042 122.820 -0.316 0.000 2.395 111 A HA 0.295 4.618 4.320 0.005 0.000 0.286 111 A C -0.563 176.660 177.584 -0.601 0.000 1.193 111 A CA -0.508 51.302 52.037 -0.378 0.000 0.852 111 A CB -0.608 18.142 19.000 -0.418 0.000 1.118 111 A HN 0.611 nan 8.150 nan 0.000 0.524 112 L N 4.710 125.737 121.223 -0.327 0.000 2.255 112 L HA 0.531 4.874 4.340 0.005 0.000 0.289 112 L C -0.755 176.049 176.870 -0.110 0.000 1.046 112 L CA -0.150 54.595 54.840 -0.157 0.000 0.816 112 L CB -0.191 41.912 42.059 0.073 0.000 1.197 112 L HN 0.633 nan 8.230 nan 0.000 0.427 113 Y N 5.559 125.890 120.300 0.051 0.000 2.295 113 Y HA 0.350 4.902 4.550 0.004 0.000 0.331 113 Y C -1.298 174.719 175.900 0.195 0.000 1.311 113 Y CA -1.640 56.529 58.100 0.114 0.000 1.430 113 Y CB 0.175 38.601 38.460 -0.058 0.000 1.339 113 Y HN 0.553 nan 8.280 nan 0.000 0.552 114 P HA -0.051 nan 4.420 nan 0.000 0.249 114 P C 0.612 177.954 177.300 0.069 0.000 1.241 114 P CA 0.631 63.722 63.100 -0.014 0.000 0.781 114 P CB 0.342 31.872 31.700 -0.283 0.000 1.088 115 Q N 0.218 120.090 119.800 0.119 0.000 2.013 115 Q HA -0.062 4.282 4.340 0.005 0.000 0.195 115 Q C 2.026 178.102 176.000 0.126 0.000 0.974 115 Q CA 1.360 57.222 55.803 0.097 0.000 0.826 115 Q CB -0.855 27.922 28.738 0.067 0.000 0.895 115 Q HN 0.244 nan 8.270 nan 0.000 0.448 116 E N 0.316 120.612 120.200 0.160 0.000 2.164 116 E HA -0.300 4.053 4.350 0.005 0.000 0.206 116 E C 1.729 178.434 176.600 0.174 0.000 1.032 116 E CA 1.478 57.981 56.400 0.172 0.000 0.832 116 E CB -0.100 29.722 29.700 0.203 0.000 0.742 116 E HN 0.365 nan 8.360 nan 0.000 0.460 117 A N 0.875 123.809 122.820 0.189 0.000 1.859 117 A HA -0.285 4.039 4.320 0.005 0.000 0.218 117 A C 2.087 179.762 177.584 0.150 0.000 1.209 117 A CA 2.093 54.243 52.037 0.188 0.000 0.639 117 A CB -0.661 18.472 19.000 0.223 0.000 0.835 117 A HN 0.167 nan 8.150 nan 0.000 0.450 118 R N -0.950 119.626 120.500 0.126 0.000 2.241 118 R HA 0.026 4.369 4.340 0.005 0.000 0.224 118 R C 1.712 178.085 176.300 0.122 0.000 1.101 118 R CA 1.124 57.286 56.100 0.103 0.000 0.995 118 R CB -0.275 30.070 30.300 0.074 0.000 0.870 118 R HN 0.590 nan 8.270 nan 0.000 0.463 119 L N -1.063 120.246 121.223 0.144 0.000 2.408 119 L HA 0.110 4.454 4.340 0.005 0.000 0.215 119 L C 1.045 178.097 176.870 0.302 0.000 1.081 119 L CA 0.490 55.429 54.840 0.164 0.000 0.840 119 L CB 0.226 42.353 42.059 0.113 0.000 1.002 119 L HN -0.024 nan 8.230 nan 0.000 0.468 120 R N 0.223 120.897 120.500 0.290 0.000 2.700 120 R HA 0.212 4.555 4.340 0.005 0.000 0.377 120 R C -0.260 176.082 176.300 0.071 0.000 1.130 120 R CA -0.203 56.104 56.100 0.345 0.000 1.055 120 R CB -0.053 30.396 30.300 0.248 0.000 1.387 120 R HN 0.169 nan 8.270 nan 0.000 0.580 121 N N 0.976 119.726 118.700 0.084 0.000 2.693 121 N HA -0.225 4.518 4.740 0.005 0.000 0.250 121 N C -0.432 175.074 175.510 -0.007 0.000 1.033 121 N CA 0.477 53.514 53.050 -0.023 0.000 0.747 121 N CB -0.665 37.700 38.487 -0.205 0.000 0.964 121 N HN 0.320 nan 8.380 nan 0.000 0.540 122 L N -0.857 120.405 121.223 0.064 0.000 2.569 122 L HA 0.507 4.851 4.340 0.005 0.000 0.247 122 L C 0.691 177.638 176.870 0.129 0.000 1.135 122 L CA -0.589 54.304 54.840 0.088 0.000 0.812 122 L CB 0.842 42.972 42.059 0.118 0.000 1.431 122 L HN 0.048 nan 8.230 nan 0.000 0.499 123 T N -1.377 113.266 114.554 0.148 0.000 2.930 123 T HA 0.193 4.546 4.350 0.005 0.000 0.313 123 T C -0.720 174.115 174.700 0.226 0.000 1.019 123 T CA -0.350 61.857 62.100 0.179 0.000 1.004 123 T CB 0.400 69.349 68.868 0.135 0.000 0.987 123 T HN 0.261 nan 8.240 nan 0.000 0.456 124 Y N 4.384 124.774 120.300 0.151 0.000 2.683 124 Y HA 0.348 4.900 4.550 0.005 0.000 0.355 124 Y C 0.363 176.363 175.900 0.167 0.000 1.199 124 Y CA -0.011 58.184 58.100 0.158 0.000 1.654 124 Y CB -0.466 38.090 38.460 0.160 0.000 1.361 124 Y HN 0.764 nan 8.280 nan 0.000 0.493 125 S N 2.306 117.970 115.700 -0.060 0.000 2.536 125 S HA 0.660 5.133 4.470 0.005 0.000 0.271 125 S C -0.814 173.762 174.600 -0.040 0.000 1.134 125 S CA -1.034 57.166 58.200 0.000 0.000 0.897 125 S CB 1.488 64.746 63.200 0.098 0.000 1.094 125 S HN 0.328 nan 8.310 nan 0.000 0.473 126 S N 1.141 116.837 115.700 -0.006 0.000 2.617 126 S HA 0.779 5.252 4.470 0.005 0.000 0.283 126 S C 0.645 175.300 174.600 0.091 0.000 1.189 126 S CA -0.404 57.808 58.200 0.020 0.000 1.036 126 S CB 1.143 64.342 63.200 -0.003 0.000 1.014 126 S HN 1.090 nan 8.310 nan 0.000 0.522 127 G N 1.078 109.979 108.800 0.168 0.000 2.444 127 G HA2 0.543 4.506 3.960 0.005 0.000 0.268 127 G HA3 0.543 4.506 3.960 0.005 0.000 0.268 127 G C -0.937 174.065 174.900 0.170 0.000 1.203 127 G CA -0.530 44.690 45.100 0.200 0.000 0.835 127 G HN 0.543 nan 8.290 nan 0.000 0.543 128 L N 0.631 121.785 121.223 -0.114 0.000 2.325 128 L HA 0.610 4.953 4.340 0.005 0.000 0.278 128 L C -0.859 175.941 176.870 -0.117 0.000 1.023 128 L CA -0.577 54.241 54.840 -0.036 0.000 0.811 128 L CB 1.678 43.669 42.059 -0.114 0.000 1.249 128 L HN 0.317 nan 8.230 nan 0.000 0.431 129 F N 1.808 121.711 119.950 -0.078 0.000 2.547 129 F HA 0.677 5.207 4.527 0.005 0.000 0.316 129 F C -0.093 175.754 175.800 0.078 0.000 1.121 129 F CA -0.899 57.110 58.000 0.016 0.000 0.911 129 F CB 2.234 41.288 39.000 0.090 0.000 1.179 129 F HN 0.176 nan 8.300 nan 0.000 0.443 130 V N -1.219 118.811 119.914 0.193 0.000 2.960 130 V HA 0.688 4.811 4.120 0.005 0.000 0.315 130 V C -1.176 175.061 176.094 0.238 0.000 1.087 130 V CA -0.878 61.517 62.300 0.159 0.000 0.982 130 V CB 2.140 33.992 31.823 0.048 0.000 1.039 130 V HN 0.595 nan 8.190 nan 0.000 0.437 131 D N 1.713 122.242 120.400 0.215 0.000 2.396 131 D HA 0.550 5.193 4.640 0.005 0.000 0.225 131 D C -0.464 175.969 176.300 0.222 0.000 1.121 131 D CA 0.104 54.234 54.000 0.216 0.000 0.853 131 D CB 1.551 42.459 40.800 0.180 0.000 1.043 131 D HN 0.586 nan 8.370 nan 0.000 0.500 132 V N 3.771 123.817 119.914 0.220 0.000 2.407 132 V HA 0.290 4.414 4.120 0.005 0.000 0.278 132 V C 0.204 176.352 176.094 0.091 0.000 1.037 132 V CA -0.499 61.918 62.300 0.195 0.000 0.900 132 V CB 1.318 33.273 31.823 0.219 0.000 0.983 132 V HN 0.371 nan 8.190 nan 0.000 0.459 133 K N 3.791 124.207 120.400 0.027 0.000 2.206 133 K HA 0.448 4.771 4.320 0.005 0.000 0.264 133 K C -0.217 176.352 176.600 -0.052 0.000 0.967 133 K CA -0.653 55.630 56.287 -0.006 0.000 0.844 133 K CB 1.368 33.861 32.500 -0.012 0.000 1.099 133 K HN 0.321 nan 8.250 nan 0.000 0.441 134 K N 3.630 124.004 120.400 -0.043 0.000 2.432 134 K HA 0.177 4.500 4.320 0.005 0.000 0.226 134 K C -0.803 175.745 176.600 -0.087 0.000 1.057 134 K CA -0.473 55.774 56.287 -0.068 0.000 1.034 134 K CB 0.456 32.934 32.500 -0.037 0.000 1.561 134 K HN 0.461 nan 8.250 nan 0.000 0.492 135 R N 1.646 122.070 120.500 -0.127 0.000 2.316 135 R HA 0.063 4.406 4.340 0.005 0.000 0.314 135 R C -0.426 175.722 176.300 -0.253 0.000 1.069 135 R CA 0.232 56.240 56.100 -0.154 0.000 0.959 135 R CB 0.670 30.878 30.300 -0.153 0.000 0.987 135 R HN 0.376 nan 8.270 nan 0.000 0.446 136 T N 5.328 119.765 114.554 -0.195 0.000 3.378 136 T HA 0.248 4.601 4.350 0.005 0.000 0.359 136 T C 0.481 175.131 174.700 -0.083 0.000 1.815 136 T CA -0.407 61.571 62.100 -0.204 0.000 1.509 136 T CB -0.412 68.417 68.868 -0.066 0.000 1.049 136 T HN 0.594 nan 8.240 nan 0.000 0.705 137 Y N 2.259 122.555 120.300 -0.006 0.000 1.760 137 Y HA -0.400 4.153 4.550 0.006 0.000 0.248 137 Y C 0.717 176.616 175.900 -0.003 0.000 0.734 137 Y CA 1.765 59.863 58.100 -0.004 0.000 1.558 137 Y CB -1.244 37.214 38.460 -0.004 0.000 0.683 137 Y HN 0.701 nan 8.280 nan 0.000 0.764 138 E N -0.338 119.990 120.200 0.213 0.000 7.319 138 E HA 0.195 4.548 4.350 0.005 0.000 0.251 138 E C -0.433 176.214 176.600 0.078 0.000 0.944 138 E CA 0.167 56.629 56.400 0.103 0.000 1.530 138 E CB -1.066 28.674 29.700 0.067 0.000 0.918 138 E HN 1.740 nan 8.360 nan 0.000 0.271 139 A N 2.785 125.636 122.820 0.051 0.000 2.277 139 A HA -0.203 4.120 4.320 0.005 0.000 0.627 139 A C 0.450 178.059 177.584 0.042 0.000 0.242 139 A CA 1.116 53.173 52.037 0.034 0.000 0.209 139 A CB -0.611 18.406 19.000 0.028 0.000 3.637 139 A HN 0.602 nan 8.150 nan 0.000 0.501 140 I N 0.300 120.885 120.570 0.024 0.000 3.623 140 I HA 0.143 4.317 4.170 0.005 0.000 0.253 140 I C 0.835 176.963 176.117 0.018 0.000 1.144 140 I CA 0.543 61.858 61.300 0.025 0.000 1.461 140 I CB -0.369 37.624 38.000 -0.011 0.000 1.575 140 I HN 0.929 nan 8.210 nan 0.000 0.445 165 V N 2.106 122.165 119.914 0.241 0.000 2.588 165 V HA 0.485 4.608 4.120 0.005 0.000 0.304 165 V C -0.840 175.176 176.094 -0.129 0.000 1.042 165 V CA -0.812 61.554 62.300 0.109 0.000 0.877 165 V CB 1.422 33.324 31.823 0.133 0.000 0.996 165 V HN 0.145 nan 8.190 nan 0.000 0.425 166 F N 5.794 125.535 119.950 -0.348 0.000 2.408 166 F HA 0.701 5.231 4.527 0.006 0.000 0.344 166 F C -0.158 175.456 175.800 -0.311 0.000 1.112 166 F CA -0.666 56.973 58.000 -0.603 0.000 1.096 166 F CB 0.927 39.644 39.000 -0.471 0.000 1.129 166 F HN 0.300 nan 8.300 nan 0.000 0.486 167 I N 6.553 126.641 120.570 -0.804 0.000 2.517 167 I HA 0.421 4.594 4.170 0.005 0.000 0.280 167 I C 0.383 176.131 176.117 -0.616 0.000 1.061 167 I CA -0.425 60.593 61.300 -0.470 0.000 1.091 167 I CB 0.548 38.415 38.000 -0.222 0.000 1.205 167 I HN 0.838 nan 8.210 nan 0.000 0.459 168 G N 5.977 114.504 108.800 -0.454 0.000 2.752 168 G HA2 -0.229 3.734 3.960 0.005 0.000 0.234 168 G HA3 -0.229 3.734 3.960 0.005 0.000 0.234 168 G C -0.367 174.416 174.900 -0.195 0.000 1.367 168 G CA -0.609 44.402 45.100 -0.148 0.000 0.879 168 G HN 0.705 nan 8.290 nan 0.000 0.563 169 R N -0.848 119.659 120.500 0.011 0.000 2.483 169 R HA 0.461 4.804 4.340 0.005 0.000 0.303 169 R C -0.765 175.590 176.300 0.091 0.000 0.987 169 R CA -0.898 55.239 56.100 0.063 0.000 0.881 169 R CB 1.511 31.894 30.300 0.137 0.000 1.177 169 R HN 0.663 nan 8.270 nan 0.000 0.451 170 L N 5.660 126.941 121.223 0.097 0.000 2.265 170 L HA 0.491 4.834 4.340 0.005 0.000 0.288 170 L C -2.468 174.503 176.870 0.167 0.000 1.058 170 L CA -1.790 53.135 54.840 0.143 0.000 0.809 170 L CB 0.963 43.106 42.059 0.141 0.000 1.179 170 L HN 0.406 nan 8.230 nan 0.000 0.429 171 P HA 0.126 nan 4.420 nan 0.000 0.269 171 P C -1.041 176.504 177.300 0.408 0.000 1.209 171 P CA 0.157 63.400 63.100 0.239 0.000 0.776 171 P CB 0.410 32.194 31.700 0.138 0.000 0.876 172 I N 3.264 124.070 120.570 0.394 0.000 2.389 172 I HA 0.320 4.493 4.170 0.005 0.000 0.288 172 I C 0.557 176.653 176.117 -0.036 0.000 0.999 172 I CA -1.062 60.409 61.300 0.285 0.000 1.129 172 I CB 1.020 39.127 38.000 0.177 0.000 1.288 172 I HN 0.466 nan 8.210 nan 0.000 0.444 173 M N 5.821 124.850 119.600 -0.952 0.000 2.250 173 M HA 0.090 4.573 4.480 0.005 0.000 0.337 173 M C -0.874 175.050 176.300 -0.628 0.000 1.161 173 M CA 0.078 54.546 55.300 -1.385 0.000 1.088 173 M CB 0.487 32.102 32.600 -1.643 0.000 1.639 173 M HN 0.351 nan 8.290 nan 0.000 0.447 174 L N 5.304 126.113 121.223 -0.690 0.000 2.426 174 L HA 0.241 4.585 4.340 0.005 0.000 0.271 174 L C 1.304 177.953 176.870 -0.368 0.000 1.169 174 L CA 0.716 55.248 54.840 -0.514 0.000 0.836 174 L CB 0.549 42.142 42.059 -0.777 0.000 1.112 174 L HN 0.934 nan 8.230 nan 0.000 0.465 175 R N 0.552 120.934 120.500 -0.197 0.000 4.010 175 R HA -0.202 4.142 4.340 0.005 0.000 0.409 175 R C 0.273 176.533 176.300 -0.067 0.000 1.120 175 R CA 0.864 56.897 56.100 -0.112 0.000 1.244 175 R CB -1.104 29.119 30.300 -0.129 0.000 1.799 175 R HN 0.832 nan 8.270 nan 0.000 0.559 176 S N 0.128 115.791 115.700 -0.063 0.000 2.566 176 S HA -0.003 4.470 4.470 0.005 0.000 0.280 176 S C 1.138 175.780 174.600 0.070 0.000 1.343 176 S CA 0.390 58.621 58.200 0.052 0.000 1.036 176 S CB 1.492 64.802 63.200 0.184 0.000 0.866 176 S HN 0.413 nan 8.310 nan 0.000 0.526 177 K N 1.574 122.023 120.400 0.082 0.000 2.304 177 K HA -0.270 4.053 4.320 0.005 0.000 0.204 177 K C 1.761 178.378 176.600 0.028 0.000 1.044 177 K CA 2.080 58.394 56.287 0.045 0.000 0.932 177 K CB -0.331 32.192 32.500 0.038 0.000 0.735 177 K HN 0.813 nan 8.250 nan 0.000 0.468 178 N N -0.654 118.079 118.700 0.055 0.000 2.436 178 N HA -0.047 4.696 4.740 0.005 0.000 0.178 178 N C 0.324 175.795 175.510 -0.064 0.000 1.026 178 N CA 0.198 53.249 53.050 0.003 0.000 0.880 178 N CB 0.180 38.698 38.487 0.051 0.000 1.061 178 N HN 0.230 nan 8.380 nan 0.000 0.434 179 C N 0.403 119.722 119.300 0.031 0.000 2.741 179 C HA -0.022 4.441 4.460 0.005 0.000 0.403 179 C C 1.627 176.653 174.990 0.060 0.000 1.282 179 C CA -0.321 58.766 59.018 0.114 0.000 2.053 179 C CB -0.695 27.183 27.740 0.230 0.000 2.731 179 C HN 0.568 nan 8.230 nan 0.000 0.680 180 Y N 1.697 122.167 120.300 0.284 0.000 2.242 180 Y HA -0.039 4.515 4.550 0.007 0.000 0.291 180 Y C 2.206 178.190 175.900 0.141 0.000 1.137 180 Y CA 1.687 59.928 58.100 0.235 0.000 1.181 180 Y CB -0.259 38.444 38.460 0.405 0.000 0.989 180 Y HN 0.587 nan 8.280 nan 0.000 0.527 181 L N -0.294 121.069 121.223 0.233 0.000 2.265 181 L HA -0.214 4.129 4.340 0.005 0.000 0.215 181 L C 2.577 179.478 176.870 0.051 0.000 1.117 181 L CA 1.233 56.128 54.840 0.091 0.000 0.782 181 L CB -1.042 41.022 42.059 0.009 0.000 0.914 181 L HN 0.332 nan 8.230 nan 0.000 0.441 182 S N 1.361 117.092 115.700 0.051 0.000 2.409 182 S HA -0.240 4.233 4.470 0.005 0.000 0.237 182 S C 0.581 175.195 174.600 0.023 0.000 1.060 182 S CA 1.689 59.903 58.200 0.023 0.000 1.052 182 S CB -0.481 62.734 63.200 0.024 0.000 0.871 182 S HN 0.662 nan 8.310 nan 0.000 0.465 183 E N 0.615 120.837 120.200 0.038 0.000 2.460 183 E HA 0.791 5.145 4.350 0.005 0.000 0.249 183 E C -0.819 175.804 176.600 0.037 0.000 0.962 183 E CA -0.095 56.324 56.400 0.031 0.000 0.787 183 E CB 1.382 31.100 29.700 0.030 0.000 1.341 183 E HN 0.477 nan 8.360 nan 0.000 0.407 184 A N 1.855 124.686 122.820 0.020 0.000 2.459 184 A HA 0.699 5.022 4.320 0.005 0.000 0.296 184 A C -0.068 177.512 177.584 -0.006 0.000 1.039 184 A CA -0.886 51.156 52.037 0.010 0.000 0.698 184 A CB 1.105 20.107 19.000 0.004 0.000 1.261 184 A HN 0.546 nan 8.150 nan 0.000 0.405 185 T N -0.266 114.287 114.554 -0.002 0.000 2.919 185 T HA 0.283 4.637 4.350 0.005 0.000 0.302 185 T C 0.981 175.679 174.700 -0.004 0.000 1.031 185 T CA 0.583 62.684 62.100 0.001 0.000 1.127 185 T CB 1.006 69.880 68.868 0.009 0.000 0.952 185 T HN 0.784 nan 8.240 nan 0.000 0.540 186 E N 2.113 122.315 120.200 0.002 0.000 2.110 186 E HA -0.319 4.034 4.350 0.005 0.000 0.225 186 E C 2.235 178.907 176.600 0.120 0.000 1.063 186 E CA 2.609 59.023 56.400 0.023 0.000 0.906 186 E CB -0.541 29.200 29.700 0.068 0.000 0.795 186 E HN 0.864 nan 8.360 nan 0.000 0.479 187 S N 1.034 116.812 115.700 0.130 0.000 2.407 187 S HA -0.316 4.157 4.470 0.005 0.000 0.244 187 S C 1.621 176.278 174.600 0.095 0.000 1.077 187 S CA 1.807 60.081 58.200 0.123 0.000 1.159 187 S CB -0.886 62.337 63.200 0.039 0.000 1.045 187 S HN 0.379 nan 8.310 nan 0.000 0.438 188 D N 1.443 121.857 120.400 0.024 0.000 2.116 188 D HA -0.102 4.541 4.640 0.005 0.000 0.193 188 D C 2.017 178.282 176.300 -0.057 0.000 0.998 188 D CA 1.193 55.178 54.000 -0.025 0.000 0.836 188 D CB -0.315 40.462 40.800 -0.038 0.000 0.951 188 D HN 0.324 nan 8.370 nan 0.000 0.449 189 L N -0.125 121.046 121.223 -0.087 0.000 2.012 189 L HA -0.233 4.111 4.340 0.005 0.000 0.210 189 L C 2.622 179.377 176.870 -0.191 0.000 1.073 189 L CA 1.355 56.085 54.840 -0.184 0.000 0.748 189 L CB -0.844 41.038 42.059 -0.295 0.000 0.891 189 L HN 0.127 nan 8.230 nan 0.000 0.431 190 Y N 0.466 120.708 120.300 -0.096 0.000 2.128 190 Y HA -0.275 4.277 4.550 0.005 0.000 0.284 190 Y C 2.743 178.593 175.900 -0.084 0.000 1.154 190 Y CA 1.431 59.478 58.100 -0.089 0.000 1.149 190 Y CB -0.322 38.087 38.460 -0.085 0.000 0.976 190 Y HN 0.065 nan 8.280 nan 0.000 0.505 191 K N 0.131 120.571 120.400 0.067 0.000 2.074 191 K HA -0.203 4.121 4.320 0.005 0.000 0.209 191 K C 1.568 178.131 176.600 -0.061 0.000 1.048 191 K CA 1.595 57.876 56.287 -0.010 0.000 0.926 191 K CB -0.434 32.041 32.500 -0.042 0.000 0.713 191 K HN 0.345 nan 8.250 nan 0.000 0.444 192 L N 0.477 121.635 121.223 -0.108 0.000 2.591 192 L HA 0.043 4.386 4.340 0.005 0.000 0.228 192 L C 0.226 177.039 176.870 -0.095 0.000 1.133 192 L CA 0.225 54.972 54.840 -0.155 0.000 0.880 192 L CB -0.168 41.748 42.059 -0.238 0.000 1.033 192 L HN 0.170 nan 8.230 nan 0.000 0.450 193 K N -0.512 119.848 120.400 -0.067 0.000 3.274 193 K HA -0.173 4.151 4.320 0.005 0.000 0.300 193 K C 0.005 176.561 176.600 -0.074 0.000 1.230 193 K CA 0.667 56.923 56.287 -0.051 0.000 0.884 193 K CB -1.008 31.477 32.500 -0.026 0.000 1.242 193 K HN 0.232 nan 8.250 nan 0.000 0.467 194 E N 1.081 121.210 120.200 -0.118 0.000 2.134 194 E HA 0.104 4.457 4.350 0.005 0.000 0.278 194 E C -0.355 176.114 176.600 -0.218 0.000 0.959 194 E CA -0.432 55.895 56.400 -0.121 0.000 0.783 194 E CB 1.348 30.988 29.700 -0.100 0.000 1.095 194 E HN 0.291 nan 8.360 nan 0.000 0.399 195 C N 7.022 126.214 119.300 -0.180 0.000 2.651 195 C HA 0.165 4.628 4.460 0.005 0.000 0.410 195 C C -1.212 173.604 174.990 -0.290 0.000 1.372 195 C CA -1.408 57.450 59.018 -0.267 0.000 1.707 195 C CB -0.270 27.387 27.740 -0.139 0.000 2.501 195 C HN 0.494 nan 8.230 nan 0.000 0.598 196 P HA 0.019 nan 4.420 nan 0.000 0.279 196 P C 0.222 177.267 177.300 -0.425 0.000 1.451 196 P CA 1.114 63.940 63.100 -0.458 0.000 0.783 196 P CB -0.565 30.782 31.700 -0.588 0.000 1.490 197 F N -1.497 118.399 119.950 -0.090 0.000 2.746 197 F HA 0.202 4.733 4.527 0.006 0.000 0.320 197 F C 0.963 176.839 175.800 0.126 0.000 1.097 197 F CA -0.778 57.211 58.000 -0.019 0.000 1.195 197 F CB 0.537 39.438 39.000 -0.165 0.000 1.056 197 F HN -0.136 nan 8.300 nan 0.000 0.562 198 D N 1.572 122.097 120.400 0.207 0.000 2.390 198 D HA 0.066 4.709 4.640 0.005 0.000 0.249 198 D C 1.106 177.469 176.300 0.106 0.000 1.144 198 D CA 0.168 54.274 54.000 0.176 0.000 0.880 198 D CB 0.904 41.778 40.800 0.124 0.000 1.182 198 D HN 0.024 nan 8.370 nan 0.000 0.451 199 M N 1.563 121.215 119.600 0.086 0.000 2.367 199 M HA 0.334 4.817 4.480 0.005 0.000 0.256 199 M C 1.003 177.251 176.300 -0.087 0.000 1.091 199 M CA 0.345 55.654 55.300 0.014 0.000 1.049 199 M CB -0.769 31.847 32.600 0.026 0.000 1.406 199 M HN 0.412 nan 8.290 nan 0.000 0.498 200 G N 1.088 109.802 108.800 -0.144 0.000 2.496 200 G HA2 0.055 4.018 3.960 0.005 0.000 0.243 200 G HA3 0.055 4.018 3.960 0.005 0.000 0.243 200 G C 0.647 175.289 174.900 -0.430 0.000 1.176 200 G CA 0.704 45.527 45.100 -0.462 0.000 0.940 200 G HN 1.496 nan 8.290 nan 0.000 0.573 201 G N -1.904 106.604 108.800 -0.487 0.000 2.160 201 G HA2 0.243 4.206 3.960 0.005 0.000 0.251 201 G HA3 0.243 4.206 3.960 0.005 0.000 0.251 201 G C 0.282 174.985 174.900 -0.327 0.000 1.008 201 G CA 2.002 46.889 45.100 -0.355 0.000 0.724 201 G HN 2.441 nan 8.290 nan 0.000 0.514 202 Y N -2.615 117.439 120.300 -0.409 0.000 2.715 202 Y HA 0.861 5.414 4.550 0.005 0.000 0.331 202 Y C -0.503 175.037 175.900 -0.600 0.000 1.197 202 Y CA -3.467 54.424 58.100 -0.348 0.000 1.079 202 Y CB 0.740 39.124 38.460 -0.127 0.000 1.298 202 Y HN 0.025 nan 8.280 nan 0.000 0.477 203 F N 0.655 120.763 119.950 0.264 0.000 2.598 203 F HA 0.720 5.250 4.527 0.005 0.000 0.327 203 F C -0.535 175.426 175.800 0.269 0.000 1.057 203 F CA -1.268 56.837 58.000 0.175 0.000 0.957 203 F CB 2.021 41.067 39.000 0.077 0.000 1.278 203 F HN 0.319 nan 8.300 nan 0.000 0.484 204 I N 3.816 124.643 120.570 0.429 0.000 2.382 204 I HA 0.368 4.541 4.170 0.005 0.000 0.286 204 I C -1.117 175.150 176.117 0.250 0.000 1.002 204 I CA -0.503 60.978 61.300 0.302 0.000 1.135 204 I CB 1.281 39.440 38.000 0.265 0.000 1.288 204 I HN 0.268 nan 8.210 nan 0.000 0.448 205 I N 6.659 127.337 120.570 0.180 0.000 2.555 205 I HA 0.256 4.429 4.170 0.005 0.000 0.275 205 I C -0.268 175.908 176.117 0.098 0.000 1.082 205 I CA -0.542 60.840 61.300 0.136 0.000 1.167 205 I CB 0.079 38.149 38.000 0.116 0.000 1.312 205 I HN 0.661 nan 8.210 nan 0.000 0.493 206 N N 4.453 123.209 118.700 0.094 0.000 2.663 206 N HA -0.163 4.580 4.740 0.005 0.000 0.263 206 N C 1.060 176.607 175.510 0.061 0.000 1.109 206 N CA 0.921 54.007 53.050 0.059 0.000 0.701 206 N CB -1.150 37.357 38.487 0.033 0.000 0.879 206 N HN 1.011 nan 8.380 nan 0.000 0.550 207 G N -1.161 107.690 108.800 0.085 0.000 2.212 207 G HA2 -0.326 3.638 3.960 0.005 0.000 0.267 207 G HA3 -0.326 3.638 3.960 0.005 0.000 0.267 207 G C 0.011 174.944 174.900 0.056 0.000 1.002 207 G CA 0.991 46.143 45.100 0.086 0.000 0.729 207 G HN 0.937 nan 8.290 nan 0.000 0.517 208 S N -0.358 115.374 115.700 0.053 0.000 2.521 208 S HA 0.547 5.020 4.470 0.005 0.000 0.295 208 S C -0.263 174.344 174.600 0.012 0.000 1.098 208 S CA -0.658 57.553 58.200 0.018 0.000 0.999 208 S CB 1.155 64.369 63.200 0.024 0.000 1.034 208 S HN 0.318 nan 8.310 nan 0.000 0.483 209 E N 3.300 123.452 120.200 -0.079 0.000 2.089 209 E HA 0.264 4.617 4.350 0.005 0.000 0.284 209 E C -0.691 175.864 176.600 -0.075 0.000 1.023 209 E CA -0.591 55.688 56.400 -0.202 0.000 0.819 209 E CB 0.687 30.075 29.700 -0.521 0.000 1.076 209 E HN 0.174 nan 8.360 nan 0.000 0.396 210 K N 2.413 122.865 120.400 0.087 0.000 2.274 210 K HA 0.417 4.740 4.320 0.005 0.000 0.262 210 K C -0.661 176.074 176.600 0.226 0.000 0.961 210 K CA -0.856 55.518 56.287 0.145 0.000 0.833 210 K CB 2.064 34.664 32.500 0.166 0.000 1.102 210 K HN 0.212 nan 8.250 nan 0.000 0.436 211 V N 4.196 124.191 119.914 0.136 0.000 2.513 211 V HA 0.409 4.532 4.120 0.005 0.000 0.299 211 V C 0.202 176.298 176.094 0.004 0.000 1.035 211 V CA -1.002 61.353 62.300 0.091 0.000 0.889 211 V CB 1.736 33.549 31.823 -0.016 0.000 0.988 211 V HN 0.547 nan 8.190 nan 0.000 0.440 212 L N 5.462 126.694 121.223 0.015 0.000 2.278 212 L HA 0.457 4.800 4.340 0.005 0.000 0.287 212 L C -0.270 176.495 176.870 -0.174 0.000 1.072 212 L CA -0.070 54.697 54.840 -0.121 0.000 0.819 212 L CB 0.721 42.747 42.059 -0.055 0.000 1.176 212 L HN 0.481 nan 8.230 nan 0.000 0.435 213 I N 3.977 124.406 120.570 -0.235 0.000 2.301 213 I HA 0.212 4.385 4.170 0.005 0.000 0.292 213 I C 0.922 176.928 176.117 -0.185 0.000 1.046 213 I CA -0.389 60.784 61.300 -0.212 0.000 1.282 213 I CB 1.309 39.186 38.000 -0.206 0.000 1.409 213 I HN 0.673 nan 8.210 nan 0.000 0.484 214 A N 7.555 130.293 122.820 -0.136 0.000 2.609 214 A HA 0.022 4.345 4.320 0.005 0.000 0.232 214 A C 0.086 177.611 177.584 -0.097 0.000 1.041 214 A CA 0.273 52.248 52.037 -0.104 0.000 0.753 214 A CB 0.084 19.048 19.000 -0.061 0.000 0.966 214 A HN 0.675 nan 8.150 nan 0.000 0.510 215 Q N 1.400 121.144 119.800 -0.094 0.000 2.312 215 Q HA 0.338 4.682 4.340 0.005 0.000 0.263 215 Q C -0.488 175.476 176.000 -0.059 0.000 0.995 215 Q CA -0.295 55.460 55.803 -0.081 0.000 0.853 215 Q CB 1.860 30.539 28.738 -0.099 0.000 1.300 215 Q HN 0.850 nan 8.270 nan 0.000 0.448 216 E N 2.021 122.191 120.200 -0.051 0.000 2.319 216 E HA 0.484 4.837 4.350 0.005 0.000 0.268 216 E C -0.180 176.378 176.600 -0.069 0.000 1.050 216 E CA -0.346 56.012 56.400 -0.071 0.000 0.878 216 E CB 1.200 30.864 29.700 -0.060 0.000 1.066 216 E HN 0.436 nan 8.360 nan 0.000 0.406 217 R N -0.545 119.899 120.500 -0.094 0.000 2.692 217 R HA 0.420 4.764 4.340 0.005 0.000 0.269 217 R C -1.219 175.023 176.300 -0.096 0.000 1.030 217 R CA -0.865 55.191 56.100 -0.074 0.000 0.882 217 R CB 0.866 31.134 30.300 -0.053 0.000 1.250 217 R HN 0.259 nan 8.270 nan 0.000 0.465 218 S N 0.770 116.429 115.700 -0.067 0.000 2.549 218 S HA 0.389 4.863 4.470 0.005 0.000 0.279 218 S C 0.260 174.821 174.600 -0.066 0.000 1.321 218 S CA -0.181 57.982 58.200 -0.062 0.000 1.054 218 S CB 1.127 64.312 63.200 -0.025 0.000 0.899 218 S HN 0.662 nan 8.310 nan 0.000 0.497 219 A N 2.718 125.488 122.820 -0.083 0.000 2.407 219 A HA 0.589 4.912 4.320 0.005 0.000 0.248 219 A C 0.818 178.361 177.584 -0.069 0.000 1.082 219 A CA -0.118 51.858 52.037 -0.101 0.000 0.785 219 A CB -0.102 18.809 19.000 -0.147 0.000 1.020 219 A HN 0.884 nan 8.150 nan 0.000 0.489 220 G N -0.259 108.491 108.800 -0.083 0.000 2.462 220 G HA2 0.446 4.410 3.960 0.005 0.000 0.319 220 G HA3 0.446 4.410 3.960 0.005 0.000 0.319 220 G C 0.028 174.876 174.900 -0.086 0.000 1.171 220 G CA -0.234 44.822 45.100 -0.072 0.000 0.920 220 G HN 0.995 nan 8.290 nan 0.000 0.499 221 N N -2.021 116.614 118.700 -0.109 0.000 2.753 221 N HA -0.169 4.575 4.740 0.005 0.000 0.251 221 N C -0.236 175.308 175.510 0.058 0.000 1.097 221 N CA 0.981 53.935 53.050 -0.160 0.000 0.786 221 N CB -1.486 36.806 38.487 -0.324 0.000 1.137 221 N HN 0.542 nan 8.380 nan 0.000 0.566 222 I N 0.259 120.880 120.570 0.086 0.000 2.354 222 I HA 0.287 4.461 4.170 0.005 0.000 0.292 222 I C 0.386 176.596 176.117 0.154 0.000 0.989 222 I CA -1.078 60.320 61.300 0.165 0.000 1.188 222 I CB 1.778 39.848 38.000 0.116 0.000 1.342 222 I HN -0.091 nan 8.210 nan 0.000 0.457 223 V N 7.539 127.581 119.914 0.213 0.000 2.406 223 V HA 0.353 4.476 4.120 0.005 0.000 0.272 223 V C -0.376 175.741 176.094 0.039 0.000 1.043 223 V CA 0.122 62.515 62.300 0.156 0.000 0.915 223 V CB 1.127 33.098 31.823 0.246 0.000 0.988 223 V HN 0.803 nan 8.190 nan 0.000 0.466 224 Q N 4.275 124.029 119.800 -0.077 0.000 2.387 224 Q HA 0.723 5.067 4.340 0.005 0.000 0.273 224 Q C -1.356 174.334 176.000 -0.517 0.000 1.089 224 Q CA -0.826 54.786 55.803 -0.319 0.000 0.824 224 Q CB 2.815 31.306 28.738 -0.412 0.000 1.367 224 Q HN 0.685 nan 8.270 nan 0.000 0.443 225 V N 1.740 121.283 119.914 -0.619 0.000 2.513 225 V HA 0.582 4.706 4.120 0.005 0.000 0.299 225 V C -0.966 174.738 176.094 -0.651 0.000 1.035 225 V CA -0.643 61.378 62.300 -0.466 0.000 0.889 225 V CB 0.903 32.614 31.823 -0.186 0.000 0.988 225 V HN 0.594 nan 8.190 nan 0.000 0.440 226 F N 1.934 121.913 119.950 0.048 0.000 2.557 226 F HA 0.492 5.022 4.527 0.005 0.000 0.316 226 F C 0.316 176.092 175.800 -0.040 0.000 1.141 226 F CA -0.965 57.041 58.000 0.011 0.000 0.922 226 F CB 1.963 40.964 39.000 0.001 0.000 1.194 226 F HN 0.291 nan 8.300 nan 0.000 0.443 227 K N 3.444 123.895 120.400 0.084 0.000 2.368 227 K HA 0.283 4.607 4.320 0.005 0.000 0.282 227 K C -0.499 176.052 176.600 -0.082 0.000 1.035 227 K CA -0.265 55.922 56.287 -0.165 0.000 0.973 227 K CB 0.953 33.350 32.500 -0.172 0.000 0.957 227 K HN 0.545 nan 8.250 nan 0.000 0.474 228 K N 1.605 121.923 120.400 -0.135 0.000 2.221 228 K HA 0.339 4.662 4.320 0.005 0.000 0.258 228 K C -0.224 176.324 176.600 -0.087 0.000 0.944 228 K CA -0.595 55.644 56.287 -0.080 0.000 0.823 228 K CB 1.863 34.327 32.500 -0.059 0.000 1.113 228 K HN 0.720 nan 8.250 nan 0.000 0.431 229 A N 1.874 124.657 122.820 -0.062 0.000 2.532 229 A HA 0.062 4.385 4.320 0.005 0.000 0.248 229 A C 1.273 178.829 177.584 -0.047 0.000 1.118 229 A CA 1.134 53.141 52.037 -0.050 0.000 0.805 229 A CB -0.208 18.768 19.000 -0.039 0.000 1.068 229 A HN 0.936 nan 8.150 nan 0.000 0.518 230 A N 0.213 123.013 122.820 -0.034 0.000 1.873 230 A HA 0.043 4.366 4.320 0.005 0.000 0.215 230 A C -0.049 177.521 177.584 -0.024 0.000 1.186 230 A CA 1.707 53.728 52.037 -0.026 0.000 0.616 230 A CB -1.511 17.479 19.000 -0.017 0.000 0.823 230 A HN 0.714 nan 8.150 nan 0.000 0.442 231 P HA 0.110 nan 4.420 nan 0.000 0.255 231 P C 0.019 177.305 177.300 -0.023 0.000 1.357 231 P CA 0.720 63.810 63.100 -0.018 0.000 0.839 231 P CB -0.277 31.415 31.700 -0.013 0.000 1.356 232 S N -0.017 115.662 115.700 -0.035 0.000 2.648 232 S HA 0.591 5.064 4.470 0.005 0.000 0.305 232 S C -1.721 172.837 174.600 -0.070 0.000 1.094 232 S CA -1.338 56.832 58.200 -0.050 0.000 0.983 232 S CB 1.873 65.038 63.200 -0.059 0.000 1.101 232 S HN -0.212 nan 8.310 nan 0.000 0.514 233 P HA 0.126 nan 4.420 nan 0.000 0.222 233 P C 0.531 177.704 177.300 -0.211 0.000 1.153 233 P CA 0.628 63.646 63.100 -0.136 0.000 0.798 233 P CB -0.279 31.319 31.700 -0.170 0.000 0.796 234 I N -2.118 118.301 120.570 -0.252 0.000 2.321 234 I HA 0.341 4.514 4.170 0.005 0.000 0.291 234 I C 1.179 177.227 176.117 -0.116 0.000 0.998 234 I CA -0.463 60.684 61.300 -0.255 0.000 1.227 234 I CB 1.508 39.303 38.000 -0.342 0.000 1.368 234 I HN -0.226 nan 8.210 nan 0.000 0.466 235 S N 5.036 120.710 115.700 -0.044 0.000 2.348 235 S HA 0.005 4.478 4.470 0.005 0.000 0.219 235 S C 0.416 174.913 174.600 -0.172 0.000 1.033 235 S CA 1.009 59.190 58.200 -0.030 0.000 0.974 235 S CB -0.178 63.114 63.200 0.153 0.000 0.868 235 S HN 0.835 nan 8.310 nan 0.000 0.459 236 H N -1.171 117.901 119.070 0.003 0.000 2.768 236 H HA 0.737 5.297 4.556 0.005 0.000 0.371 236 H C -1.358 173.989 175.328 0.033 0.000 1.151 236 H CA -0.529 55.532 56.048 0.021 0.000 1.165 236 H CB 2.036 31.802 29.762 0.008 0.000 1.722 236 H HN 0.084 nan 8.280 nan 0.000 0.543 237 V N 1.312 121.323 119.914 0.161 0.000 2.733 237 V HA 0.699 4.822 4.120 0.005 0.000 0.306 237 V C -0.739 175.434 176.094 0.132 0.000 1.084 237 V CA -0.824 61.560 62.300 0.140 0.000 0.905 237 V CB 1.899 33.802 31.823 0.133 0.000 1.010 237 V HN 0.955 nan 8.190 nan 0.000 0.424 238 A N 3.738 126.612 122.820 0.091 0.000 2.303 238 A HA 0.865 5.188 4.320 0.005 0.000 0.320 238 A C -0.510 177.121 177.584 0.079 0.000 1.192 238 A CA -0.496 51.560 52.037 0.031 0.000 0.821 238 A CB 0.964 19.958 19.000 -0.010 0.000 1.188 238 A HN 0.824 nan 8.150 nan 0.000 0.492 239 E N 0.972 121.225 120.200 0.088 0.000 2.238 239 E HA 0.622 4.975 4.350 0.005 0.000 0.267 239 E C -1.574 175.098 176.600 0.119 0.000 0.887 239 E CA -0.519 55.970 56.400 0.148 0.000 0.769 239 E CB 2.579 32.439 29.700 0.267 0.000 1.187 239 E HN 0.649 nan 8.360 nan 0.000 0.416 240 I N 1.730 122.370 120.570 0.117 0.000 2.548 240 I HA 0.325 4.498 4.170 0.005 0.000 0.287 240 I C -1.098 175.068 176.117 0.081 0.000 1.103 240 I CA -0.573 60.793 61.300 0.109 0.000 1.049 240 I CB 1.072 39.161 38.000 0.150 0.000 1.232 240 I HN 0.418 nan 8.210 nan 0.000 0.429 241 R N 5.414 125.943 120.500 0.048 0.000 3.235 241 R HA 0.235 4.578 4.340 0.005 0.000 0.232 241 R C -0.072 176.207 176.300 -0.036 0.000 1.475 241 R CA -0.284 55.828 56.100 0.021 0.000 1.405 241 R CB 0.151 30.461 30.300 0.017 0.000 1.266 241 R HN 0.695 nan 8.270 nan 0.000 0.650 242 S N 0.685 116.368 115.700 -0.029 0.000 2.465 242 S HA 0.536 5.009 4.470 0.005 0.000 0.280 242 S C 0.087 174.673 174.600 -0.023 0.000 1.232 242 S CA -0.736 57.408 58.200 -0.094 0.000 1.066 242 S CB 1.543 64.786 63.200 0.071 0.000 0.929 242 S HN 0.534 nan 8.310 nan 0.000 0.494 243 A N 3.425 126.208 122.820 -0.062 0.000 2.574 243 A HA 0.635 4.958 4.320 0.005 0.000 0.297 243 A C -0.954 176.609 177.584 -0.035 0.000 1.062 243 A CA -1.053 50.973 52.037 -0.018 0.000 0.686 243 A CB 0.958 19.947 19.000 -0.018 0.000 1.285 243 A HN 0.806 nan 8.150 nan 0.000 0.403 244 L N 2.577 123.778 121.223 -0.037 0.000 2.261 244 L HA 0.307 4.650 4.340 0.005 0.000 0.289 244 L C 1.906 178.742 176.870 -0.057 0.000 1.059 244 L CA -0.413 54.403 54.840 -0.040 0.000 0.816 244 L CB 1.049 43.077 42.059 -0.051 0.000 1.191 244 L HN 1.038 nan 8.230 nan 0.000 0.431 245 E N 4.160 124.335 120.200 -0.040 0.000 2.130 245 E HA -0.217 4.136 4.350 0.005 0.000 0.196 245 E C 0.261 176.838 176.600 -0.037 0.000 0.998 245 E CA 1.484 57.861 56.400 -0.039 0.000 0.806 245 E CB 0.323 30.003 29.700 -0.033 0.000 0.738 245 E HN 0.556 nan 8.360 nan 0.000 0.459 246 K N -0.351 120.025 120.400 -0.039 0.000 2.394 246 K HA 0.415 4.738 4.320 0.005 0.000 0.260 246 K C -1.095 175.472 176.600 -0.055 0.000 0.967 246 K CA 0.354 56.618 56.287 -0.038 0.000 0.855 246 K CB 1.286 33.768 32.500 -0.030 0.000 1.101 246 K HN 0.248 nan 8.250 nan 0.000 0.433 247 G N 2.946 111.706 108.800 -0.066 0.000 3.383 247 G HA2 -0.111 3.852 3.960 0.005 0.000 0.685 247 G HA3 -0.111 3.852 3.960 0.005 0.000 0.685 247 G C -0.559 174.225 174.900 -0.193 0.000 1.104 247 G CA -0.344 44.698 45.100 -0.096 0.000 0.957 247 G HN 0.890 nan 8.290 nan 0.000 0.461 248 S N -0.308 115.257 115.700 -0.225 0.000 3.633 248 S HA -0.210 4.264 4.470 0.005 0.000 0.637 248 S C 0.831 175.228 174.600 -0.340 0.000 2.289 248 S CA 1.371 59.326 58.200 -0.408 0.000 2.476 248 S CB -0.374 62.275 63.200 -0.918 0.000 0.330 248 S HN 2.116 nan 8.310 nan 0.000 1.787 249 R N -0.053 120.192 120.500 -0.426 0.000 2.485 249 R HA 0.318 4.662 4.340 0.005 0.000 0.235 249 R C -1.403 174.873 176.300 -0.040 0.000 1.306 249 R CA -0.101 55.891 56.100 -0.180 0.000 1.397 249 R CB -0.209 30.051 30.300 -0.066 0.000 1.416 249 R HN 0.443 nan 8.270 nan 0.000 0.781 250 F N 2.851 122.796 119.950 -0.008 0.000 2.512 250 F HA 0.189 4.719 4.527 0.005 0.000 0.350 250 F C 0.814 176.603 175.800 -0.019 0.000 1.212 250 F CA -0.628 57.360 58.000 -0.020 0.000 1.099 250 F CB 0.479 39.456 39.000 -0.038 0.000 1.238 250 F HN 0.072 nan 8.300 nan 0.000 0.600 251 I N 3.466 124.137 120.570 0.168 0.000 2.270 251 I HA -0.025 4.148 4.170 0.005 0.000 0.294 251 I C 0.548 176.709 176.117 0.074 0.000 1.164 251 I CA 0.084 61.440 61.300 0.093 0.000 1.680 251 I CB -0.952 37.089 38.000 0.068 0.000 1.494 251 I HN 0.377 nan 8.210 nan 0.000 0.767 252 S N 1.883 117.624 115.700 0.068 0.000 3.729 252 S HA 0.207 4.681 4.470 0.005 0.000 0.235 252 S C 0.650 175.284 174.600 0.057 0.000 1.367 252 S CA -0.770 57.449 58.200 0.032 0.000 0.907 252 S CB -0.574 62.617 63.200 -0.015 0.000 1.471 252 S HN 0.600 nan 8.310 nan 0.000 0.476 253 T N 2.053 116.645 114.554 0.064 0.000 2.750 253 T HA 0.373 4.726 4.350 0.005 0.000 0.286 253 T C 0.042 174.800 174.700 0.096 0.000 0.911 253 T CA -0.798 61.348 62.100 0.077 0.000 1.130 253 T CB 0.062 68.974 68.868 0.073 0.000 0.873 253 T HN 0.578 nan 8.240 nan 0.000 0.536 254 L N 3.427 124.716 121.223 0.110 0.000 2.436 254 L HA 0.463 4.806 4.340 0.005 0.000 0.265 254 L C -0.082 176.865 176.870 0.129 0.000 1.168 254 L CA 0.054 54.977 54.840 0.139 0.000 0.815 254 L CB 0.818 42.975 42.059 0.164 0.000 1.109 254 L HN 0.881 nan 8.230 nan 0.000 0.462 255 Q N 2.758 122.639 119.800 0.135 0.000 2.345 255 Q HA 0.647 4.990 4.340 0.005 0.000 0.275 255 Q C -1.771 174.307 176.000 0.131 0.000 1.063 255 Q CA -1.065 54.815 55.803 0.127 0.000 0.819 255 Q CB 1.921 30.733 28.738 0.125 0.000 1.356 255 Q HN 0.448 nan 8.270 nan 0.000 0.418 256 V N 2.731 122.716 119.914 0.118 0.000 2.472 256 V HA 0.539 4.662 4.120 0.005 0.000 0.290 256 V C -0.193 175.975 176.094 0.123 0.000 1.037 256 V CA -0.437 61.933 62.300 0.117 0.000 0.908 256 V CB 1.337 33.217 31.823 0.095 0.000 0.985 256 V HN 0.833 nan 8.190 nan 0.000 0.454 257 K N 4.105 124.595 120.400 0.151 0.000 2.433 257 K HA 0.817 5.141 4.320 0.005 0.000 0.252 257 K C -1.658 175.067 176.600 0.208 0.000 1.015 257 K CA -1.035 55.353 56.287 0.168 0.000 0.860 257 K CB 2.931 35.538 32.500 0.177 0.000 1.359 257 K HN 0.468 nan 8.250 nan 0.000 0.452 258 L N 1.306 122.646 121.223 0.196 0.000 2.446 258 L HA 0.405 4.748 4.340 0.005 0.000 0.268 258 L C -1.695 175.308 176.870 0.221 0.000 0.975 258 L CA -0.491 54.475 54.840 0.211 0.000 0.848 258 L CB 1.003 43.144 42.059 0.138 0.000 1.225 258 L HN 0.528 nan 8.230 nan 0.000 0.410 259 Y N 3.334 123.660 120.300 0.044 0.000 2.316 259 Y HA 0.708 5.261 4.550 0.005 0.000 0.324 259 Y C 1.074 176.997 175.900 0.038 0.000 1.267 259 Y CA -0.086 58.038 58.100 0.040 0.000 1.311 259 Y CB 1.445 39.924 38.460 0.032 0.000 1.267 259 Y HN 0.855 nan 8.280 nan 0.000 0.516 260 G N 2.415 111.311 108.800 0.161 0.000 3.153 260 G HA2 -0.152 3.811 3.960 0.005 0.000 0.686 260 G HA3 -0.152 3.811 3.960 0.005 0.000 0.686 260 G C -0.429 174.514 174.900 0.072 0.000 0.995 260 G CA -1.097 44.064 45.100 0.103 0.000 0.783 260 G HN 0.488 nan 8.290 nan 0.000 0.551 261 R N 0.880 121.410 120.500 0.051 0.000 2.822 261 R HA 0.194 4.538 4.340 0.005 0.000 0.277 261 R C 0.712 177.043 176.300 0.051 0.000 1.102 261 R CA -0.402 55.724 56.100 0.044 0.000 1.207 261 R CB 0.326 30.643 30.300 0.027 0.000 1.139 261 R HN 0.646 nan 8.270 nan 0.000 0.557 262 E N 1.031 121.262 120.200 0.052 0.000 1.814 262 E HA 0.140 4.493 4.350 0.005 0.000 0.264 262 E C 0.123 176.744 176.600 0.034 0.000 1.179 262 E CA 0.168 56.596 56.400 0.047 0.000 0.972 262 E CB -0.132 29.601 29.700 0.055 0.000 1.077 262 E HN 0.815 nan 8.360 nan 0.000 0.417 263 G N 2.411 111.230 108.800 0.032 0.000 2.155 263 G HA2 -0.183 3.780 3.960 0.005 0.000 0.130 263 G HA3 -0.183 3.780 3.960 0.005 0.000 0.130 263 G C 0.062 174.979 174.900 0.028 0.000 1.027 263 G CA 0.102 45.218 45.100 0.027 0.000 0.705 263 G HN 0.474 nan 8.290 nan 0.000 0.496 264 S N -0.187 115.532 115.700 0.033 0.000 2.542 264 S HA 0.827 5.301 4.470 0.005 0.000 0.293 264 S C 0.477 175.099 174.600 0.037 0.000 1.089 264 S CA 0.659 58.880 58.200 0.035 0.000 0.961 264 S CB 1.614 64.839 63.200 0.041 0.000 1.062 264 S HN 1.447 nan 8.310 nan 0.000 0.483 265 S N 2.450 118.171 115.700 0.034 0.000 2.669 265 S HA 0.761 5.234 4.470 0.005 0.000 0.270 265 S C 0.372 174.994 174.600 0.038 0.000 1.225 265 S CA -0.108 58.111 58.200 0.031 0.000 0.991 265 S CB 0.755 63.969 63.200 0.024 0.000 0.987 265 S HN 2.266 nan 8.310 nan 0.000 0.552 266 A N 0.839 123.677 122.820 0.030 0.000 2.381 266 A HA -0.098 4.226 4.320 0.005 0.000 0.283 266 A C 0.341 177.952 177.584 0.045 0.000 1.419 266 A CA -0.171 51.884 52.037 0.030 0.000 0.727 266 A CB -1.625 17.393 19.000 0.029 0.000 1.152 266 A HN 0.628 nan 8.150 nan 0.000 0.366 267 R N 1.169 121.690 120.500 0.035 0.000 4.576 267 R HA 0.097 4.440 4.340 0.005 0.000 0.185 267 R C 0.797 177.120 176.300 0.038 0.000 1.837 267 R CA 0.893 57.019 56.100 0.043 0.000 1.520 267 R CB -0.968 29.346 30.300 0.023 0.000 1.403 267 R HN 0.838 nan 8.270 nan 0.000 0.831 268 T N 0.066 114.651 114.554 0.050 0.000 2.889 268 T HA 0.479 4.832 4.350 0.005 0.000 0.291 268 T C 0.331 175.054 174.700 0.039 0.000 0.995 268 T CA -0.442 61.664 62.100 0.011 0.000 1.092 268 T CB 0.554 69.394 68.868 -0.047 0.000 0.954 268 T HN 0.283 nan 8.240 nan 0.000 0.506 269 I N 4.616 125.188 120.570 0.004 0.000 2.411 269 I HA 0.423 4.596 4.170 0.005 0.000 0.284 269 I C 0.192 176.310 176.117 0.002 0.000 1.012 269 I CA -0.801 60.523 61.300 0.041 0.000 1.119 269 I CB 1.576 39.593 38.000 0.029 0.000 1.261 269 I HN 0.541 nan 8.210 nan 0.000 0.448 270 K N 4.233 124.647 120.400 0.023 0.000 2.258 270 K HA 0.928 5.251 4.320 0.005 0.000 0.236 270 K C -0.692 175.953 176.600 0.075 0.000 1.008 270 K CA -0.784 55.495 56.287 -0.013 0.000 0.869 270 K CB 2.501 34.922 32.500 -0.131 0.000 1.171 270 K HN 0.619 nan 8.250 nan 0.000 0.447 271 A N 0.219 123.071 122.820 0.052 0.000 2.479 271 A HA 0.613 4.937 4.320 0.005 0.000 0.296 271 A C -1.054 176.584 177.584 0.091 0.000 1.121 271 A CA -0.687 51.404 52.037 0.089 0.000 0.743 271 A CB 1.614 20.667 19.000 0.089 0.000 1.323 271 A HN 0.558 nan 8.150 nan 0.000 0.415 272 T N 2.250 116.877 114.554 0.121 0.000 3.331 272 T HA 0.417 4.770 4.350 0.005 0.000 0.381 272 T C -0.352 174.434 174.700 0.142 0.000 1.656 272 T CA -0.067 62.107 62.100 0.122 0.000 1.453 272 T CB -0.704 68.239 68.868 0.125 0.000 1.066 272 T HN 0.427 nan 8.240 nan 0.000 0.655 273 L N 4.098 125.402 121.223 0.133 0.000 2.410 273 L HA 0.314 4.658 4.340 0.005 0.000 0.273 273 L C -1.701 175.265 176.870 0.159 0.000 1.152 273 L CA -2.012 52.927 54.840 0.165 0.000 0.855 273 L CB -0.036 42.093 42.059 0.117 0.000 1.129 273 L HN 0.189 nan 8.230 nan 0.000 0.463 274 P HA -0.093 nan 4.420 nan 0.000 0.268 274 P C -0.113 177.321 177.300 0.223 0.000 1.208 274 P CA 0.101 63.279 63.100 0.131 0.000 0.777 274 P CB 0.394 32.113 31.700 0.031 0.000 0.875 275 Y N -2.509 117.844 120.300 0.088 0.000 4.138 275 Y HA -0.245 4.308 4.550 0.005 0.000 0.347 275 Y C 1.166 177.142 175.900 0.126 0.000 1.116 275 Y CA 0.340 58.505 58.100 0.108 0.000 2.132 275 Y CB -1.753 36.782 38.460 0.125 0.000 0.967 275 Y HN 0.292 nan 8.280 nan 0.000 0.470 276 I N 1.444 122.172 120.570 0.264 0.000 2.720 276 I HA -0.040 4.133 4.170 0.005 0.000 0.287 276 I C 1.569 177.757 176.117 0.118 0.000 1.090 276 I CA 0.478 61.883 61.300 0.174 0.000 1.384 276 I CB 1.283 39.370 38.000 0.145 0.000 1.420 276 I HN 0.215 nan 8.210 nan 0.000 0.575 277 K N 3.090 123.540 120.400 0.083 0.000 1.984 277 K HA -0.123 4.200 4.320 0.005 0.000 0.209 277 K C 0.969 177.615 176.600 0.075 0.000 1.046 277 K CA 1.371 57.696 56.287 0.063 0.000 0.934 277 K CB 0.202 32.727 32.500 0.041 0.000 0.717 277 K HN 0.602 nan 8.250 nan 0.000 0.438 278 Q N -0.590 119.261 119.800 0.086 0.000 3.207 278 Q HA 0.130 4.473 4.340 0.005 0.000 0.224 278 Q C -1.350 174.694 176.000 0.073 0.000 1.062 278 Q CA -0.755 55.099 55.803 0.085 0.000 0.789 278 Q CB 1.540 30.340 28.738 0.103 0.000 2.631 278 Q HN -0.020 nan 8.270 nan 0.000 0.409 279 D N 1.341 121.775 120.400 0.056 0.000 2.549 279 D HA 0.365 5.008 4.640 0.005 0.000 0.251 279 D C -0.963 175.309 176.300 -0.047 0.000 1.153 279 D CA -0.270 53.749 54.000 0.031 0.000 0.861 279 D CB 1.267 42.115 40.800 0.080 0.000 1.207 279 D HN 0.312 nan 8.370 nan 0.000 0.543 280 I N 2.467 122.977 120.570 -0.100 0.000 2.354 280 I HA 0.341 4.514 4.170 0.005 0.000 0.292 280 I C -2.254 173.750 176.117 -0.189 0.000 0.989 280 I CA -2.688 58.465 61.300 -0.245 0.000 1.188 280 I CB 0.860 38.642 38.000 -0.364 0.000 1.342 280 I HN -0.103 nan 8.210 nan 0.000 0.457 281 P HA 0.081 nan 4.420 nan 0.000 0.267 281 P C 1.285 178.534 177.300 -0.086 0.000 1.201 281 P CA 0.065 63.091 63.100 -0.123 0.000 0.775 281 P CB 0.710 32.342 31.700 -0.114 0.000 0.854 282 I N 0.679 121.234 120.570 -0.026 0.000 2.500 282 I HA -0.131 4.042 4.170 0.005 0.000 0.252 282 I C 1.576 177.752 176.117 0.099 0.000 1.142 282 I CA 0.976 62.313 61.300 0.063 0.000 1.451 282 I CB -0.928 37.123 38.000 0.086 0.000 1.093 282 I HN 0.081 nan 8.210 nan 0.000 0.430 283 V N -0.621 119.280 119.914 -0.022 0.000 3.141 283 V HA -0.046 4.077 4.120 0.005 0.000 0.265 283 V C 2.266 178.368 176.094 0.014 0.000 1.126 283 V CA 0.915 63.191 62.300 -0.039 0.000 1.141 283 V CB -0.928 30.846 31.823 -0.082 0.000 0.743 283 V HN 0.409 nan 8.190 nan 0.000 0.492 284 I N 0.315 120.869 120.570 -0.026 0.000 2.400 284 I HA -0.022 4.151 4.170 0.005 0.000 0.248 284 I C 2.566 178.648 176.117 -0.058 0.000 1.109 284 I CA 1.171 62.430 61.300 -0.069 0.000 1.425 284 I CB -0.767 37.102 38.000 -0.219 0.000 1.094 284 I HN 0.261 nan 8.210 nan 0.000 0.425 285 I N 0.552 121.091 120.570 -0.052 0.000 2.315 285 I HA -0.229 3.945 4.170 0.005 0.000 0.248 285 I C 2.632 178.702 176.117 -0.078 0.000 1.117 285 I CA 1.479 62.714 61.300 -0.109 0.000 1.404 285 I CB -1.347 36.569 38.000 -0.140 0.000 1.071 285 I HN 0.055 nan 8.210 nan 0.000 0.419 286 F N 1.786 121.665 119.950 -0.119 0.000 2.134 286 F HA -0.140 4.390 4.527 0.006 0.000 0.299 286 F C 2.739 178.473 175.800 -0.110 0.000 1.097 286 F CA 1.401 59.334 58.000 -0.112 0.000 1.264 286 F CB -0.353 38.573 39.000 -0.123 0.000 1.001 286 F HN 0.009 nan 8.300 nan 0.000 0.479 287 R N 0.058 120.610 120.500 0.086 0.000 2.066 287 R HA -0.094 4.249 4.340 0.005 0.000 0.232 287 R C 2.402 178.692 176.300 -0.017 0.000 1.131 287 R CA 1.233 57.344 56.100 0.019 0.000 0.955 287 R CB -1.402 28.904 30.300 0.011 0.000 0.851 287 R HN 0.296 nan 8.270 nan 0.000 0.432 288 A N 1.482 124.278 122.820 -0.039 0.000 1.986 288 A HA -0.165 4.159 4.320 0.005 0.000 0.220 288 A C 2.251 179.787 177.584 -0.079 0.000 1.171 288 A CA 1.318 53.317 52.037 -0.064 0.000 0.640 288 A CB -0.486 18.449 19.000 -0.108 0.000 0.811 288 A HN 0.154 nan 8.150 nan 0.000 0.451 289 L N -2.474 118.684 121.223 -0.109 0.000 1.984 289 L HA 0.196 4.540 4.340 0.005 0.000 0.207 289 L C 2.456 179.296 176.870 -0.049 0.000 1.111 289 L CA 1.412 56.196 54.840 -0.094 0.000 0.770 289 L CB -0.464 41.501 42.059 -0.157 0.000 0.900 289 L HN 0.473 nan 8.230 nan 0.000 0.441 290 G N -1.558 107.209 108.800 -0.055 0.000 2.647 290 G HA2 0.151 4.115 3.960 0.005 0.000 0.212 290 G HA3 0.151 4.115 3.960 0.005 0.000 0.212 290 G C -0.049 174.832 174.900 -0.031 0.000 1.540 290 G CA -0.329 44.753 45.100 -0.030 0.000 0.608 290 G HN 0.038 nan 8.290 nan 0.000 1.094 291 I N 2.422 122.962 120.570 -0.050 0.000 2.752 291 I HA 0.147 4.321 4.170 0.005 0.000 0.286 291 I C 1.133 177.242 176.117 -0.013 0.000 1.180 291 I CA 0.542 61.811 61.300 -0.051 0.000 1.404 291 I CB 0.848 38.780 38.000 -0.115 0.000 1.389 291 I HN 0.161 nan 8.210 nan 0.000 0.549 292 I N 6.787 127.341 120.570 -0.026 0.000 3.194 292 I HA 0.123 4.296 4.170 0.005 0.000 0.271 292 I C -1.550 174.549 176.117 -0.030 0.000 1.150 292 I CA -0.026 61.261 61.300 -0.021 0.000 1.440 292 I CB -0.434 37.554 38.000 -0.020 0.000 1.276 292 I HN 0.434 nan 8.210 nan 0.000 0.457 293 P HA 0.049 nan 4.420 nan 0.000 0.276 293 P C -0.392 176.878 177.300 -0.050 0.000 1.235 293 P CA 0.267 63.347 63.100 -0.033 0.000 0.772 293 P CB 0.954 32.637 31.700 -0.028 0.000 0.871 294 D N 3.470 123.848 120.400 -0.037 0.000 2.133 294 D HA -0.156 4.487 4.640 0.005 0.000 0.192 294 D C 2.224 178.478 176.300 -0.076 0.000 1.001 294 D CA 2.120 56.088 54.000 -0.054 0.000 0.844 294 D CB -0.826 39.968 40.800 -0.011 0.000 0.944 294 D HN 0.604 nan 8.370 nan 0.000 0.447 295 G N 0.313 109.083 108.800 -0.051 0.000 2.470 295 G HA2 -0.247 3.716 3.960 0.005 0.000 0.220 295 G HA3 -0.247 3.716 3.960 0.005 0.000 0.220 295 G C 1.528 176.397 174.900 -0.050 0.000 1.121 295 G CA 0.454 45.526 45.100 -0.048 0.000 0.766 295 G HN 0.294 nan 8.290 nan 0.000 0.553 296 E N -0.155 120.008 120.200 -0.061 0.000 2.060 296 E HA 0.014 4.367 4.350 0.005 0.000 0.189 296 E C 2.571 179.096 176.600 -0.126 0.000 0.974 296 E CA 0.115 56.482 56.400 -0.055 0.000 0.808 296 E CB -0.063 29.595 29.700 -0.070 0.000 0.768 296 E HN 0.450 nan 8.360 nan 0.000 0.453 297 I N 1.610 122.045 120.570 -0.224 0.000 2.113 297 I HA -0.351 3.822 4.170 0.005 0.000 0.242 297 I C 2.485 178.410 176.117 -0.319 0.000 1.064 297 I CA 1.070 62.120 61.300 -0.416 0.000 1.320 297 I CB -0.403 37.274 38.000 -0.538 0.000 1.028 297 I HN 0.204 nan 8.210 nan 0.000 0.406 298 L N 0.366 121.464 121.223 -0.207 0.000 2.013 298 L HA -0.268 4.075 4.340 0.005 0.000 0.212 298 L C 2.559 179.400 176.870 -0.047 0.000 1.073 298 L CA 2.025 56.785 54.840 -0.133 0.000 0.753 298 L CB -1.146 40.860 42.059 -0.089 0.000 0.890 298 L HN 0.417 nan 8.230 nan 0.000 0.432 299 E N -0.981 119.239 120.200 0.033 0.000 2.204 299 E HA -0.233 4.120 4.350 0.005 0.000 0.195 299 E C 2.008 178.766 176.600 0.263 0.000 0.990 299 E CA 0.909 57.391 56.400 0.137 0.000 0.821 299 E CB 0.035 29.832 29.700 0.162 0.000 0.750 299 E HN 0.544 nan 8.360 nan 0.000 0.477 300 H N -0.089 119.024 119.070 0.072 0.000 2.423 300 H HA -0.028 4.531 4.556 0.005 0.000 0.297 300 H C 1.765 177.176 175.328 0.138 0.000 1.075 300 H CA 0.955 57.124 56.048 0.201 0.000 1.342 300 H CB 0.097 29.904 29.762 0.075 0.000 1.395 300 H HN 0.152 nan 8.280 nan 0.000 0.530 301 I N -1.218 119.367 120.570 0.024 0.000 3.233 301 I HA -0.114 4.060 4.170 0.005 0.000 0.228 301 I C 0.784 176.611 176.117 -0.485 0.000 1.039 301 I CA 0.085 61.287 61.300 -0.164 0.000 1.455 301 I CB -0.030 37.894 38.000 -0.127 0.000 1.311 301 I HN 0.138 nan 8.210 nan 0.000 0.437 302 C N 2.093 121.227 119.300 -0.277 0.000 2.657 302 C HA 0.040 4.503 4.460 0.005 0.000 0.404 302 C C 0.911 175.800 174.990 -0.168 0.000 1.369 302 C CA -0.292 58.595 59.018 -0.218 0.000 1.665 302 C CB -1.609 26.080 27.740 -0.086 0.000 2.453 302 C HN 0.374 nan 8.230 nan 0.000 0.599 303 Y N 3.219 123.621 120.300 0.171 0.000 2.547 303 Y HA 0.250 4.804 4.550 0.005 0.000 0.325 303 Y C 0.765 176.757 175.900 0.154 0.000 1.165 303 Y CA -0.236 57.986 58.100 0.204 0.000 1.300 303 Y CB -0.203 38.411 38.460 0.257 0.000 1.126 303 Y HN 0.702 nan 8.280 nan 0.000 0.513 304 D N -1.764 118.753 120.400 0.195 0.000 2.753 304 D HA 0.279 4.922 4.640 0.005 0.000 0.224 304 D C 0.230 176.601 176.300 0.119 0.000 1.213 304 D CA -0.436 53.657 54.000 0.154 0.000 0.833 304 D CB 2.147 43.019 40.800 0.121 0.000 1.607 304 D HN -0.128 nan 8.370 nan 0.000 0.463 305 V N 2.072 122.059 119.914 0.122 0.000 2.992 305 V HA 0.075 4.198 4.120 0.005 0.000 0.250 305 V C 1.356 177.517 176.094 0.112 0.000 1.090 305 V CA 0.584 62.948 62.300 0.108 0.000 1.101 305 V CB -0.327 31.563 31.823 0.111 0.000 0.743 305 V HN 0.539 nan 8.190 nan 0.000 0.468 306 N N 0.044 118.815 118.700 0.118 0.000 2.280 306 N HA 0.022 4.765 4.740 0.005 0.000 0.192 306 N C 0.380 175.994 175.510 0.174 0.000 1.109 306 N CA 0.272 53.410 53.050 0.146 0.000 0.855 306 N CB 0.169 38.730 38.487 0.123 0.000 0.974 306 N HN 0.372 nan 8.380 nan 0.000 0.482 307 D N 1.632 122.096 120.400 0.106 0.000 2.631 307 D HA 0.005 4.648 4.640 0.005 0.000 0.227 307 D C 1.383 177.674 176.300 -0.015 0.000 1.146 307 D CA -0.683 53.320 54.000 0.005 0.000 1.009 307 D CB -0.162 40.629 40.800 -0.015 0.000 1.057 307 D HN 0.271 nan 8.370 nan 0.000 0.509 308 W N 1.960 123.261 121.300 0.002 0.000 2.388 308 W HA -0.147 4.516 4.660 0.006 0.000 0.294 308 W C 1.026 177.537 176.519 -0.013 0.000 1.212 308 W CA 0.312 57.654 57.345 -0.006 0.000 1.271 308 W CB -0.720 28.738 29.460 -0.004 0.000 1.126 308 W HN 0.229 nan 8.180 nan 0.000 0.535 309 Q N 0.768 119.991 119.800 -0.961 0.000 2.096 309 Q HA -0.261 4.082 4.340 0.005 0.000 0.204 309 Q C 2.279 178.077 176.000 -0.337 0.000 0.982 309 Q CA 2.370 57.634 55.803 -0.898 0.000 0.850 309 Q CB -0.624 27.473 28.738 -1.069 0.000 0.901 309 Q HN 0.248 nan 8.270 nan 0.000 0.422 310 M N 1.285 120.725 119.600 -0.268 0.000 2.084 310 M HA -0.173 4.310 4.480 0.005 0.000 0.259 310 M C 1.907 178.156 176.300 -0.084 0.000 1.072 310 M CA 1.715 56.923 55.300 -0.152 0.000 1.107 310 M CB -0.383 32.140 32.600 -0.127 0.000 1.299 310 M HN 0.157 nan 8.290 nan 0.000 0.413 311 L N -0.372 120.828 121.223 -0.038 0.000 1.990 311 L HA -0.256 4.087 4.340 0.005 0.000 0.213 311 L C 2.507 179.392 176.870 0.025 0.000 1.072 311 L CA 1.895 56.739 54.840 0.007 0.000 0.755 311 L CB -1.275 40.821 42.059 0.061 0.000 0.889 311 L HN 0.371 nan 8.230 nan 0.000 0.432 312 E N 0.456 120.704 120.200 0.080 0.000 2.065 312 E HA -0.284 4.069 4.350 0.005 0.000 0.201 312 E C 2.238 178.857 176.600 0.031 0.000 1.016 312 E CA 1.853 58.313 56.400 0.100 0.000 0.818 312 E CB -0.249 29.576 29.700 0.209 0.000 0.749 312 E HN 0.289 nan 8.360 nan 0.000 0.453 313 M N -0.615 118.980 119.600 -0.009 0.000 2.267 313 M HA -0.162 4.321 4.480 0.005 0.000 0.263 313 M C 1.706 177.989 176.300 -0.029 0.000 1.063 313 M CA 1.063 56.347 55.300 -0.027 0.000 1.090 313 M CB -0.147 32.418 32.600 -0.059 0.000 1.392 313 M HN 0.182 nan 8.290 nan 0.000 0.422 314 L N -0.765 120.437 121.223 -0.035 0.000 2.591 314 L HA -0.059 4.284 4.340 0.005 0.000 0.228 314 L C 2.152 178.997 176.870 -0.042 0.000 1.133 314 L CA 0.197 55.008 54.840 -0.049 0.000 0.880 314 L CB -0.263 41.754 42.059 -0.070 0.000 1.033 314 L HN 0.192 nan 8.230 nan 0.000 0.450 315 K N 1.114 121.500 120.400 -0.024 0.000 2.063 315 K HA -0.135 4.188 4.320 0.005 0.000 0.208 315 K C -0.737 175.841 176.600 -0.037 0.000 1.048 315 K CA 1.410 57.681 56.287 -0.026 0.000 0.928 315 K CB -0.400 32.093 32.500 -0.012 0.000 0.713 315 K HN 0.210 nan 8.250 nan 0.000 0.442 316 P HA 0.089 nan 4.420 nan 0.000 0.255 316 P C 0.561 177.842 177.300 -0.032 0.000 1.248 316 P CA 0.436 63.518 63.100 -0.031 0.000 0.807 316 P CB 0.090 31.780 31.700 -0.017 0.000 1.150 317 C N -0.882 118.395 119.300 -0.038 0.000 2.475 317 C HA -0.011 4.452 4.460 0.005 0.000 0.279 317 C C 2.820 177.787 174.990 -0.038 0.000 1.322 317 C CA 0.076 59.067 59.018 -0.044 0.000 1.734 317 C CB -1.495 26.208 27.740 -0.062 0.000 2.005 317 C HN 0.087 nan 8.230 nan 0.000 0.495 318 V N 1.797 121.687 119.914 -0.040 0.000 2.287 318 V HA -0.265 3.858 4.120 0.005 0.000 0.248 318 V C 2.359 178.473 176.094 0.032 0.000 1.053 318 V CA 2.248 64.541 62.300 -0.012 0.000 1.027 318 V CB -0.846 30.963 31.823 -0.023 0.000 0.646 318 V HN 0.605 nan 8.190 nan 0.000 0.447 319 E N -0.371 119.822 120.200 -0.012 0.000 2.418 319 E HA -0.182 4.172 4.350 0.005 0.000 0.197 319 E C 1.694 178.321 176.600 0.044 0.000 1.026 319 E CA 0.892 57.281 56.400 -0.018 0.000 0.862 319 E CB -0.144 29.503 29.700 -0.087 0.000 0.799 319 E HN 0.587 nan 8.360 nan 0.000 0.518 320 D N -0.237 120.182 120.400 0.030 0.000 2.183 320 D HA -0.048 4.596 4.640 0.005 0.000 0.203 320 D C 1.600 177.942 176.300 0.070 0.000 0.969 320 D CA 0.969 54.989 54.000 0.033 0.000 0.842 320 D CB 0.002 40.797 40.800 -0.009 0.000 0.957 320 D HN 0.228 nan 8.370 nan 0.000 0.484 321 G N -1.271 107.577 108.800 0.080 0.000 3.502 321 G HA2 -0.039 3.924 3.960 0.005 0.000 0.267 321 G HA3 -0.039 3.924 3.960 0.005 0.000 0.267 321 G C 0.540 175.518 174.900 0.129 0.000 1.090 321 G CA -0.411 44.739 45.100 0.084 0.000 0.795 321 G HN 0.109 nan 8.290 nan 0.000 0.535 322 F N 1.157 121.106 119.950 -0.000 0.000 2.802 322 F HA 0.102 4.632 4.527 0.005 0.000 0.300 322 F C 1.868 177.673 175.800 0.008 0.000 1.168 322 F CA 0.485 58.484 58.000 -0.002 0.000 1.433 322 F CB 0.615 39.611 39.000 -0.007 0.000 1.115 322 F HN 0.048 nan 8.300 nan 0.000 0.582 323 V N -0.602 119.341 119.914 0.048 0.000 3.471 323 V HA 0.118 4.241 4.120 0.005 0.000 0.258 323 V C 0.288 176.366 176.094 -0.027 0.000 1.192 323 V CA 0.411 62.710 62.300 -0.002 0.000 1.116 323 V CB -0.223 31.633 31.823 0.054 0.000 0.792 323 V HN -0.051 nan 8.190 nan 0.000 0.459 324 I N 0.364 120.929 120.570 -0.008 0.000 2.418 324 I HA 0.489 4.663 4.170 0.005 0.000 0.287 324 I C 0.142 176.232 176.117 -0.046 0.000 1.008 324 I CA 0.249 61.548 61.300 -0.002 0.000 1.104 324 I CB 2.009 40.055 38.000 0.077 0.000 1.264 324 I HN -0.057 nan 8.210 nan 0.000 0.438 325 Q N 4.391 124.150 119.800 -0.069 0.000 2.055 325 Q HA 0.266 4.609 4.340 0.005 0.000 0.226 325 Q C -1.561 174.407 176.000 -0.054 0.000 0.805 325 Q CA -0.175 55.577 55.803 -0.085 0.000 1.072 325 Q CB 0.573 29.215 28.738 -0.161 0.000 1.219 325 Q HN 0.707 nan 8.270 nan 0.000 0.451 326 D N -2.524 117.858 120.400 -0.031 0.000 2.654 326 D HA 0.178 4.821 4.640 0.005 0.000 0.231 326 D C 0.158 176.454 176.300 -0.007 0.000 1.239 326 D CA -0.648 53.340 54.000 -0.021 0.000 0.790 326 D CB 0.810 41.596 40.800 -0.023 0.000 1.480 326 D HN -0.086 nan 8.370 nan 0.000 0.442 327 R N 0.394 120.890 120.500 -0.006 0.000 2.113 327 R HA -0.178 4.166 4.340 0.005 0.000 0.244 327 R C 1.459 177.762 176.300 0.005 0.000 1.142 327 R CA 1.923 58.022 56.100 -0.002 0.000 0.953 327 R CB -0.076 30.223 30.300 -0.003 0.000 0.860 327 R HN 0.601 nan 8.270 nan 0.000 0.438 328 E N -0.958 119.244 120.200 0.004 0.000 2.347 328 E HA -0.102 4.252 4.350 0.005 0.000 0.196 328 E C 1.467 178.077 176.600 0.016 0.000 1.008 328 E CA 1.456 57.861 56.400 0.009 0.000 0.852 328 E CB 0.191 29.893 29.700 0.003 0.000 0.783 328 E HN 0.503 nan 8.360 nan 0.000 0.505 329 T N -3.371 111.194 114.554 0.018 0.000 2.985 329 T HA 0.354 4.707 4.350 0.005 0.000 0.254 329 T C 1.797 176.540 174.700 0.072 0.000 1.021 329 T CA 0.255 62.374 62.100 0.032 0.000 0.957 329 T CB 0.607 69.485 68.868 0.016 0.000 1.047 329 T HN 0.076 nan 8.240 nan 0.000 0.511 330 A N 1.830 124.684 122.820 0.057 0.000 1.930 330 A HA 0.371 4.694 4.320 0.005 0.000 0.215 330 A C 2.094 179.719 177.584 0.068 0.000 1.176 330 A CA 0.661 52.736 52.037 0.064 0.000 0.632 330 A CB -0.733 18.277 19.000 0.016 0.000 0.819 330 A HN 0.479 nan 8.150 nan 0.000 0.445 331 L N -0.238 121.014 121.223 0.049 0.000 2.465 331 L HA -0.069 4.275 4.340 0.005 0.000 0.224 331 L C 1.642 178.567 176.870 0.092 0.000 1.145 331 L CA 1.170 56.043 54.840 0.056 0.000 0.834 331 L CB -0.256 41.826 42.059 0.038 0.000 0.944 331 L HN 0.373 nan 8.230 nan 0.000 0.451 332 D N -0.817 119.642 120.400 0.098 0.000 2.328 332 D HA -0.079 4.564 4.640 0.005 0.000 0.221 332 D C 1.577 177.932 176.300 0.092 0.000 1.072 332 D CA -0.083 53.962 54.000 0.075 0.000 0.850 332 D CB 0.191 41.014 40.800 0.038 0.000 0.922 332 D HN 0.153 nan 8.370 nan 0.000 0.516 333 F N 0.760 120.704 119.950 -0.011 0.000 1.982 333 F HA -0.034 4.496 4.527 0.005 0.000 0.299 333 F C 1.635 177.423 175.800 -0.020 0.000 1.290 333 F CA 1.327 59.318 58.000 -0.015 0.000 1.182 333 F CB 0.279 39.272 39.000 -0.013 0.000 0.951 333 F HN -0.038 nan 8.300 nan 0.000 0.513 334 I N -1.596 119.106 120.570 0.221 0.000 2.205 334 I HA -0.105 4.069 4.170 0.005 0.000 0.320 334 I C 0.055 176.233 176.117 0.102 0.000 0.552 334 I CA 0.786 62.253 61.300 0.279 0.000 0.547 334 I CB -1.972 36.166 38.000 0.229 0.000 4.099 334 I HN 0.437 nan 8.210 nan 0.000 1.026 335 G N 1.241 110.051 108.800 0.018 0.000 2.420 335 G HA2 0.605 4.569 3.960 0.005 0.000 0.331 335 G HA3 0.605 4.569 3.960 0.005 0.000 0.331 335 G C -0.329 174.490 174.900 -0.136 0.000 1.168 335 G CA -0.554 44.501 45.100 -0.076 0.000 0.936 335 G HN 0.117 nan 8.290 nan 0.000 0.479 336 R N 1.546 121.891 120.500 -0.258 0.000 2.216 336 R HA 0.426 4.769 4.340 0.005 0.000 0.332 336 R C 0.606 176.804 176.300 -0.170 0.000 1.056 336 R CA -0.435 55.500 56.100 -0.274 0.000 0.901 336 R CB -0.262 29.738 30.300 -0.501 0.000 1.039 336 R HN 0.677 nan 8.270 nan 0.000 0.456 337 R N 2.941 123.372 120.500 -0.115 0.000 1.470 337 R HA -0.161 4.182 4.340 0.005 0.000 0.398 337 R C 0.672 176.928 176.300 -0.073 0.000 1.311 337 R CA 0.612 56.663 56.100 -0.082 0.000 1.214 337 R CB -0.753 29.499 30.300 -0.081 0.000 3.485 337 R HN 1.087 nan 8.270 nan 0.000 0.483 338 G N 1.382 110.148 108.800 -0.058 0.000 2.470 338 G HA2 -0.269 3.694 3.960 0.005 0.000 0.220 338 G HA3 -0.269 3.694 3.960 0.005 0.000 0.220 338 G C 1.107 175.981 174.900 -0.042 0.000 1.121 338 G CA 1.284 46.354 45.100 -0.049 0.000 0.766 338 G HN 0.620 nan 8.290 nan 0.000 0.553 339 T N 0.263 114.793 114.554 -0.041 0.000 3.148 339 T HA 0.389 4.742 4.350 0.005 0.000 0.253 339 T C 1.727 176.403 174.700 -0.039 0.000 1.134 339 T CA 0.823 62.902 62.100 -0.035 0.000 1.051 339 T CB -0.326 68.524 68.868 -0.030 0.000 0.959 339 T HN 0.227 nan 8.240 nan 0.000 0.525 340 A N 0.867 123.656 122.820 -0.052 0.000 2.840 340 A HA 0.620 4.943 4.320 0.005 0.000 0.269 340 A C 1.152 178.710 177.584 -0.043 0.000 1.439 340 A CA -0.138 51.867 52.037 -0.054 0.000 1.083 340 A CB -0.933 18.016 19.000 -0.084 0.000 1.019 340 A HN 0.680 nan 8.150 nan 0.000 0.607 341 L N -2.968 118.235 121.223 -0.034 0.000 1.934 341 L HA -0.145 4.198 4.340 0.005 0.000 0.498 341 L C 1.215 178.069 176.870 -0.027 0.000 0.719 341 L CA 0.430 55.254 54.840 -0.026 0.000 3.201 341 L CB -1.309 40.736 42.059 -0.024 0.000 0.698 341 L HN 0.563 nan 8.230 nan 0.000 0.764 342 G N 0.903 109.683 108.800 -0.033 0.000 2.329 342 G HA2 0.553 4.516 3.960 0.005 0.000 0.309 342 G HA3 0.553 4.516 3.960 0.005 0.000 0.309 342 G C -0.684 174.196 174.900 -0.033 0.000 1.110 342 G CA -0.093 44.983 45.100 -0.039 0.000 0.923 342 G HN 0.104 nan 8.290 nan 0.000 0.430 343 I N 0.969 121.523 120.570 -0.027 0.000 3.468 343 I HA 0.410 4.583 4.170 0.005 0.000 0.299 343 I C 0.799 176.908 176.117 -0.014 0.000 1.141 343 I CA -1.039 60.251 61.300 -0.017 0.000 0.950 343 I CB 0.956 38.950 38.000 -0.010 0.000 1.522 343 I HN 0.326 nan 8.210 nan 0.000 0.699 344 K N 2.709 123.104 120.400 -0.008 0.000 2.404 344 K HA -0.031 4.293 4.320 0.005 0.000 0.271 344 K C -1.244 175.355 176.600 -0.001 0.000 1.130 344 K CA 1.178 57.462 56.287 -0.006 0.000 1.181 344 K CB -0.214 32.284 32.500 -0.002 0.000 0.840 344 K HN 0.354 nan 8.250 nan 0.000 0.483 345 K N 4.216 124.614 120.400 -0.004 0.000 2.640 345 K HA 0.138 4.461 4.320 0.005 0.000 0.245 345 K C -0.420 176.183 176.600 0.005 0.000 0.962 345 K CA -0.638 55.651 56.287 0.003 0.000 0.896 345 K CB 1.570 34.067 32.500 -0.006 0.000 1.147 345 K HN 0.601 nan 8.250 nan 0.000 0.445 346 E N 1.338 121.546 120.200 0.013 0.000 3.774 346 E HA -0.247 4.107 4.350 0.005 0.000 0.192 346 E C 0.255 176.875 176.600 0.033 0.000 1.099 346 E CA 1.967 58.378 56.400 0.018 0.000 2.333 346 E CB -0.780 28.927 29.700 0.012 0.000 1.735 346 E HN 0.471 nan 8.360 nan 0.000 0.433 347 K N 0.950 121.373 120.400 0.038 0.000 2.367 347 K HA 0.155 4.478 4.320 0.005 0.000 0.194 347 K C 2.072 178.732 176.600 0.100 0.000 1.027 347 K CA 0.644 56.968 56.287 0.062 0.000 1.075 347 K CB 0.181 32.714 32.500 0.055 0.000 0.845 347 K HN 0.260 nan 8.250 nan 0.000 0.529 348 R N 0.210 120.753 120.500 0.071 0.000 2.161 348 R HA -0.012 4.332 4.340 0.005 0.000 0.213 348 R C 1.570 177.944 176.300 0.122 0.000 1.055 348 R CA 0.720 56.873 56.100 0.088 0.000 0.996 348 R CB -0.320 29.987 30.300 0.012 0.000 0.901 348 R HN -0.011 nan 8.270 nan 0.000 0.456 349 I N 2.289 122.909 120.570 0.083 0.000 2.118 349 I HA -0.315 3.859 4.170 0.005 0.000 0.241 349 I C 2.788 178.956 176.117 0.086 0.000 1.070 349 I CA 1.890 63.234 61.300 0.073 0.000 1.327 349 I CB -0.511 37.517 38.000 0.047 0.000 1.034 349 I HN 0.256 nan 8.210 nan 0.000 0.405 350 Q N -0.066 119.785 119.800 0.086 0.000 2.077 350 Q HA -0.304 4.039 4.340 0.005 0.000 0.206 350 Q C 2.260 178.317 176.000 0.095 0.000 0.989 350 Q CA 2.054 57.903 55.803 0.076 0.000 0.853 350 Q CB -0.839 27.940 28.738 0.068 0.000 0.907 350 Q HN 0.561 nan 8.270 nan 0.000 0.418 351 Y N -0.116 120.200 120.300 0.027 0.000 2.114 351 Y HA -0.261 4.292 4.550 0.005 0.000 0.282 351 Y C 2.187 178.113 175.900 0.044 0.000 1.165 351 Y CA 2.197 60.319 58.100 0.036 0.000 1.148 351 Y CB -0.603 37.875 38.460 0.030 0.000 0.972 351 Y HN 0.285 nan 8.280 nan 0.000 0.504 352 A N -0.380 122.577 122.820 0.228 0.000 1.929 352 A HA -0.162 4.161 4.320 0.005 0.000 0.216 352 A C 2.210 179.831 177.584 0.061 0.000 1.176 352 A CA 1.529 53.651 52.037 0.140 0.000 0.628 352 A CB -0.638 18.430 19.000 0.113 0.000 0.816 352 A HN 0.460 nan 8.150 nan 0.000 0.444 353 K N -0.426 120.004 120.400 0.050 0.000 2.209 353 K HA -0.197 4.126 4.320 0.005 0.000 0.204 353 K C 0.836 177.445 176.600 0.016 0.000 1.048 353 K CA 1.709 58.013 56.287 0.028 0.000 0.940 353 K CB -0.107 32.410 32.500 0.029 0.000 0.729 353 K HN 0.427 nan 8.250 nan 0.000 0.451 354 D N 0.576 120.972 120.400 -0.006 0.000 2.146 354 D HA -0.054 4.590 4.640 0.005 0.000 0.209 354 D C 1.918 178.210 176.300 -0.013 0.000 0.973 354 D CA 0.836 54.817 54.000 -0.032 0.000 0.860 354 D CB -0.230 40.510 40.800 -0.100 0.000 1.015 354 D HN 0.153 nan 8.370 nan 0.000 0.465 355 I N 1.030 121.593 120.570 -0.012 0.000 2.194 355 I HA -0.228 3.946 4.170 0.005 0.000 0.246 355 I C 1.980 178.155 176.117 0.097 0.000 1.093 355 I CA 0.760 62.086 61.300 0.043 0.000 1.355 355 I CB -0.112 37.950 38.000 0.103 0.000 1.046 355 I HN 0.062 nan 8.210 nan 0.000 0.413 356 L N -0.062 121.198 121.223 0.062 0.000 2.633 356 L HA -0.162 4.181 4.340 0.005 0.000 0.235 356 L C 1.477 178.465 176.870 0.196 0.000 1.163 356 L CA 1.565 56.448 54.840 0.071 0.000 0.859 356 L CB -0.536 41.498 42.059 -0.042 0.000 0.973 356 L HN 0.480 nan 8.230 nan 0.000 0.451 357 Q N -2.485 117.391 119.800 0.126 0.000 2.046 357 Q HA 0.084 4.427 4.340 0.005 0.000 0.226 357 Q C 1.612 177.636 176.000 0.039 0.000 0.755 357 Q CA -0.130 55.726 55.803 0.087 0.000 0.924 357 Q CB 0.860 29.631 28.738 0.054 0.000 1.188 357 Q HN 0.030 nan 8.270 nan 0.000 0.450 358 K N -0.079 120.339 120.400 0.031 0.000 2.370 358 K HA 0.170 4.493 4.320 0.005 0.000 0.194 358 K C 0.725 177.309 176.600 -0.028 0.000 1.070 358 K CA 0.694 56.975 56.287 -0.009 0.000 0.998 358 K CB 1.035 33.511 32.500 -0.039 0.000 0.911 358 K HN 0.038 nan 8.250 nan 0.000 0.533 359 E N -0.889 119.315 120.200 0.006 0.000 2.550 359 E HA 0.055 4.408 4.350 0.005 0.000 0.206 359 E C -0.257 176.392 176.600 0.081 0.000 0.845 359 E CA -0.223 56.162 56.400 -0.026 0.000 1.461 359 E CB 0.201 29.818 29.700 -0.139 0.000 1.452 359 E HN 0.021 nan 8.360 nan 0.000 0.780 360 F N 3.790 123.742 119.950 0.002 0.000 2.487 360 F HA 0.218 4.749 4.527 0.005 0.000 0.364 360 F C -0.047 175.795 175.800 0.069 0.000 1.126 360 F CA -0.606 57.420 58.000 0.042 0.000 1.135 360 F CB -0.002 39.020 39.000 0.037 0.000 1.127 360 F HN -0.123 nan 8.300 nan 0.000 0.559 361 L N 7.386 128.409 121.223 -0.333 0.000 3.671 361 L HA -0.211 4.132 4.340 0.005 0.000 0.609 361 L C -1.869 174.929 176.870 -0.121 0.000 1.251 361 L CA 0.031 54.729 54.840 -0.238 0.000 0.934 361 L CB -1.824 39.924 42.059 -0.518 0.000 1.496 361 L HN 0.505 nan 8.230 nan 0.000 0.854 362 P HA -0.126 nan 4.420 nan 0.000 0.218 362 P C 0.787 178.086 177.300 -0.002 0.000 1.149 362 P CA 1.575 64.687 63.100 0.019 0.000 0.817 362 P CB -0.016 31.740 31.700 0.094 0.000 0.785 363 H N -0.776 118.236 119.070 -0.097 0.000 2.660 363 H HA 0.118 4.678 4.556 0.005 0.000 0.374 363 H C 1.397 176.599 175.328 -0.210 0.000 1.291 363 H CA -0.179 55.790 56.048 -0.131 0.000 1.437 363 H CB 0.241 29.938 29.762 -0.109 0.000 1.509 363 H HN -0.129 nan 8.280 nan 0.000 0.614 364 I N -1.153 119.074 120.570 -0.573 0.000 4.471 364 I HA -0.324 3.849 4.170 0.005 0.000 0.057 364 I C 0.257 176.127 176.117 -0.412 0.000 0.605 364 I CA 2.102 63.044 61.300 -0.597 0.000 1.033 364 I CB -1.458 36.086 38.000 -0.760 0.000 0.926 364 I HN 0.988 nan 8.210 nan 0.000 0.163 365 T N -0.034 114.282 114.554 -0.396 0.000 2.843 365 T HA 0.208 4.561 4.350 0.005 0.000 0.324 365 T C -1.091 173.417 174.700 -0.321 0.000 1.860 365 T CA 0.079 61.916 62.100 -0.438 0.000 1.021 365 T CB 0.901 69.218 68.868 -0.919 0.000 1.858 365 T HN 0.372 nan 8.240 nan 0.000 0.521 366 Q N 2.620 122.266 119.800 -0.257 0.000 2.506 366 Q HA 0.535 4.878 4.340 0.005 0.000 0.380 366 Q C -0.592 175.334 176.000 -0.122 0.000 0.867 366 Q CA -0.153 55.568 55.803 -0.137 0.000 1.093 366 Q CB 0.073 28.776 28.738 -0.059 0.000 1.388 366 Q HN 0.576 nan 8.270 nan 0.000 0.400 367 L N -1.795 119.324 121.223 -0.175 0.000 2.876 367 L HA 0.532 4.875 4.340 0.005 0.000 0.227 367 L C 1.004 177.866 176.870 -0.012 0.000 2.036 367 L CA -0.824 53.957 54.840 -0.099 0.000 2.532 367 L CB 0.275 42.251 42.059 -0.139 0.000 2.567 367 L HN 0.156 nan 8.230 nan 0.000 0.601 368 E N 0.120 120.358 120.200 0.063 0.000 3.536 368 E HA 0.146 4.500 4.350 0.005 0.000 0.381 368 E C 0.662 177.386 176.600 0.207 0.000 0.471 368 E CA 0.148 56.613 56.400 0.108 0.000 2.090 368 E CB 0.224 29.982 29.700 0.096 0.000 2.208 368 E HN 0.573 nan 8.360 nan 0.000 0.475 369 G N 0.502 109.430 108.800 0.214 0.000 3.471 369 G HA2 0.046 4.010 3.960 0.005 0.000 0.254 369 G HA3 0.046 4.010 3.960 0.005 0.000 0.254 369 G C 0.248 175.254 174.900 0.176 0.000 1.199 369 G CA -0.124 45.068 45.100 0.153 0.000 1.683 369 G HN 0.130 nan 8.290 nan 0.000 0.625 370 F N 0.310 120.265 119.950 0.008 0.000 2.094 370 F HA 0.132 4.662 4.527 0.006 0.000 0.291 370 F C 2.092 177.902 175.800 0.017 0.000 1.109 370 F CA 1.046 59.047 58.000 0.002 0.000 1.221 370 F CB -0.253 38.736 39.000 -0.018 0.000 1.014 370 F HN 0.325 nan 8.300 nan 0.000 0.473 371 E N -0.632 119.708 120.200 0.232 0.000 3.996 371 E HA -0.399 3.954 4.350 0.005 0.000 0.219 371 E C 1.823 178.494 176.600 0.118 0.000 1.257 371 E CA 2.176 58.657 56.400 0.134 0.000 2.137 371 E CB -1.782 27.963 29.700 0.075 0.000 1.853 371 E HN 0.119 nan 8.360 nan 0.000 0.288 372 S N -0.389 115.371 115.700 0.099 0.000 2.441 372 S HA -0.231 4.243 4.470 0.005 0.000 0.242 372 S C 1.598 176.331 174.600 0.221 0.000 1.018 372 S CA 1.731 60.014 58.200 0.139 0.000 0.988 372 S CB -0.144 63.144 63.200 0.146 0.000 0.778 372 S HN 0.235 nan 8.310 nan 0.000 0.498 373 R N 0.247 120.848 120.500 0.169 0.000 2.093 373 R HA 0.067 4.410 4.340 0.005 0.000 0.224 373 R C 2.215 178.624 176.300 0.182 0.000 1.101 373 R CA 0.987 57.169 56.100 0.137 0.000 0.979 373 R CB -0.133 30.245 30.300 0.129 0.000 0.877 373 R HN 0.407 nan 8.270 nan 0.000 0.441 374 K N 0.218 120.733 120.400 0.190 0.000 2.167 374 K HA 0.074 4.397 4.320 0.005 0.000 0.203 374 K C 2.043 178.798 176.600 0.260 0.000 1.052 374 K CA 0.916 57.353 56.287 0.249 0.000 0.956 374 K CB 0.059 32.731 32.500 0.286 0.000 0.735 374 K HN 0.055 nan 8.250 nan 0.000 0.451 375 A N 0.787 123.673 122.820 0.110 0.000 1.969 375 A HA -0.085 4.238 4.320 0.005 0.000 0.218 375 A C 1.842 179.499 177.584 0.121 0.000 1.169 375 A CA 1.092 53.039 52.037 -0.149 0.000 0.635 375 A CB -0.558 18.304 19.000 -0.230 0.000 0.810 375 A HN 0.203 nan 8.150 nan 0.000 0.445 376 F N -2.298 117.831 119.950 0.297 0.000 2.293 376 F HA 0.013 4.543 4.527 0.005 0.000 0.297 376 F C 1.937 178.131 175.800 0.658 0.000 1.089 376 F CA 0.909 59.105 58.000 0.327 0.000 1.377 376 F CB -0.108 38.793 39.000 -0.165 0.000 1.051 376 F HN 0.347 nan 8.300 nan 0.000 0.511 377 F N 0.209 120.504 119.950 0.575 0.000 2.163 377 F HA -0.132 4.398 4.527 0.005 0.000 0.297 377 F C 2.039 178.140 175.800 0.502 0.000 1.094 377 F CA 0.966 59.306 58.000 0.568 0.000 1.290 377 F CB -0.688 38.470 39.000 0.264 0.000 1.017 377 F HN -0.080 nan 8.300 nan 0.000 0.483 378 L N 0.801 122.200 121.223 0.295 0.000 2.017 378 L HA 0.034 4.377 4.340 0.005 0.000 0.208 378 L C 2.396 179.476 176.870 0.351 0.000 1.073 378 L CA 2.329 57.291 54.840 0.204 0.000 0.745 378 L CB -1.684 40.504 42.059 0.214 0.000 0.894 378 L HN 0.188 nan 8.230 nan 0.000 0.432 379 G N -2.177 106.953 108.800 0.550 0.000 2.535 379 G HA2 -0.338 3.625 3.960 0.005 0.000 0.218 379 G HA3 -0.338 3.625 3.960 0.005 0.000 0.218 379 G C 1.458 176.703 174.900 0.576 0.000 1.122 379 G CA 0.911 46.398 45.100 0.645 0.000 0.769 379 G HN 0.614 nan 8.290 nan 0.000 0.549 380 Y N -0.410 120.209 120.300 0.533 0.000 2.436 380 Y HA 0.350 4.903 4.550 0.005 0.000 0.288 380 Y C 2.503 178.506 175.900 0.172 0.000 1.112 380 Y CA 0.682 59.048 58.100 0.443 0.000 1.220 380 Y CB 0.083 38.805 38.460 0.436 0.000 1.073 380 Y HN 0.122 nan 8.280 nan 0.000 0.552 381 M N -0.294 119.357 119.600 0.084 0.000 2.254 381 M HA -0.135 4.348 4.480 0.005 0.000 0.265 381 M C 1.457 177.712 176.300 -0.076 0.000 1.066 381 M CA 1.165 56.407 55.300 -0.095 0.000 1.123 381 M CB -0.033 32.486 32.600 -0.134 0.000 1.388 381 M HN 0.350 nan 8.290 nan 0.000 0.425 382 I N 0.098 120.677 120.570 0.016 0.000 2.286 382 I HA -0.253 3.920 4.170 0.005 0.000 0.245 382 I C 1.950 178.028 176.117 -0.065 0.000 1.104 382 I CA 1.305 62.609 61.300 0.008 0.000 1.397 382 I CB -1.524 36.515 38.000 0.065 0.000 1.072 382 I HN 0.386 nan 8.210 nan 0.000 0.417 383 N N 1.199 119.846 118.700 -0.087 0.000 2.104 383 N HA -0.188 4.555 4.740 0.005 0.000 0.190 383 N C 2.011 177.414 175.510 -0.179 0.000 1.024 383 N CA 1.282 54.254 53.050 -0.131 0.000 0.853 383 N CB -0.001 38.430 38.487 -0.094 0.000 1.008 383 N HN 0.099 nan 8.380 nan 0.000 0.424 384 R N -0.007 120.321 120.500 -0.287 0.000 2.120 384 R HA -0.093 4.251 4.340 0.005 0.000 0.234 384 R C 2.145 178.341 176.300 -0.174 0.000 1.123 384 R CA 0.755 56.692 56.100 -0.271 0.000 0.975 384 R CB -0.582 29.497 30.300 -0.368 0.000 0.866 384 R HN 0.367 nan 8.270 nan 0.000 0.446 385 L N 0.933 122.071 121.223 -0.142 0.000 1.976 385 L HA -0.171 4.172 4.340 0.005 0.000 0.209 385 L C 2.211 178.987 176.870 -0.156 0.000 1.071 385 L CA 1.491 56.268 54.840 -0.105 0.000 0.746 385 L CB -0.292 41.735 42.059 -0.054 0.000 0.890 385 L HN 0.105 nan 8.230 nan 0.000 0.432 386 L N -0.902 120.233 121.223 -0.147 0.000 2.083 386 L HA -0.219 4.125 4.340 0.005 0.000 0.209 386 L C 2.425 179.188 176.870 -0.178 0.000 1.083 386 L CA 0.602 55.340 54.840 -0.169 0.000 0.752 386 L CB -0.661 41.320 42.059 -0.130 0.000 0.899 386 L HN 0.305 nan 8.230 nan 0.000 0.433 387 L N -0.727 120.407 121.223 -0.148 0.000 2.551 387 L HA -0.236 4.107 4.340 0.005 0.000 0.230 387 L C 2.148 178.941 176.870 -0.129 0.000 1.163 387 L CA 1.314 56.078 54.840 -0.127 0.000 0.826 387 L CB -0.485 41.509 42.059 -0.108 0.000 0.943 387 L HN 0.403 nan 8.230 nan 0.000 0.452 388 C N -2.861 116.337 119.300 -0.171 0.000 2.800 388 C HA 0.379 4.843 4.460 0.005 0.000 0.379 388 C C 2.759 177.567 174.990 -0.304 0.000 1.304 388 C CA 0.249 59.171 59.018 -0.161 0.000 1.960 388 C CB -0.527 27.161 27.740 -0.086 0.000 2.599 388 C HN 0.524 nan 8.230 nan 0.000 0.578 389 A N 0.676 123.165 122.820 -0.552 0.000 2.015 389 A HA 0.113 4.436 4.320 0.005 0.000 0.219 389 A C 1.830 179.273 177.584 -0.235 0.000 1.163 389 A CA 1.155 52.817 52.037 -0.625 0.000 0.646 389 A CB -0.583 18.080 19.000 -0.561 0.000 0.806 389 A HN 0.646 nan 8.150 nan 0.000 0.448 390 L N -0.750 120.359 121.223 -0.190 0.000 2.610 390 L HA 0.010 4.353 4.340 0.005 0.000 0.232 390 L C -0.212 176.603 176.870 -0.092 0.000 1.149 390 L CA 0.200 54.961 54.840 -0.133 0.000 0.872 390 L CB -0.649 41.319 42.059 -0.151 0.000 0.992 390 L HN 0.329 nan 8.230 nan 0.000 0.447 391 D N -0.024 120.330 120.400 -0.076 0.000 2.686 391 D HA -0.242 4.401 4.640 0.005 0.000 0.235 391 D C 1.312 177.589 176.300 -0.038 0.000 1.160 391 D CA 0.548 54.529 54.000 -0.031 0.000 0.645 391 D CB -0.427 40.370 40.800 -0.005 0.000 1.039 391 D HN 0.257 nan 8.370 nan 0.000 0.423 392 R N -0.451 120.015 120.500 -0.056 0.000 2.335 392 R HA 0.211 4.555 4.340 0.005 0.000 0.210 392 R C 0.114 176.389 176.300 -0.040 0.000 0.892 392 R CA 0.207 56.276 56.100 -0.053 0.000 1.048 392 R CB 0.442 30.699 30.300 -0.072 0.000 1.067 392 R HN -0.028 nan 8.270 nan 0.000 0.524 393 K N 0.072 120.449 120.400 -0.038 0.000 2.568 393 K HA 0.182 4.505 4.320 0.005 0.000 0.273 393 K C -1.699 174.893 176.600 -0.013 0.000 0.951 393 K CA -0.691 55.580 56.287 -0.026 0.000 0.854 393 K CB 1.582 34.061 32.500 -0.036 0.000 1.424 393 K HN -0.072 nan 8.250 nan 0.000 0.427 394 D N 1.494 121.894 120.400 -0.000 0.000 2.363 394 D HA -0.024 4.619 4.640 0.005 0.000 0.240 394 D C -0.091 176.219 176.300 0.017 0.000 1.236 394 D CA -0.012 53.999 54.000 0.019 0.000 0.927 394 D CB 0.682 41.499 40.800 0.027 0.000 1.150 394 D HN 0.431 nan 8.370 nan 0.000 0.458 395 Q N 0.495 120.320 119.800 0.041 0.000 2.432 395 Q HA -0.042 4.301 4.340 0.005 0.000 0.264 395 Q C -0.437 175.569 176.000 0.011 0.000 1.035 395 Q CA -0.072 55.753 55.803 0.036 0.000 0.908 395 Q CB 0.654 29.444 28.738 0.087 0.000 1.280 395 Q HN 0.283 nan 8.270 nan 0.000 0.455 396 D N 2.382 122.739 120.400 -0.073 0.000 2.425 396 D HA -0.028 4.615 4.640 0.005 0.000 0.247 396 D C -0.566 175.792 176.300 0.097 0.000 1.147 396 D CA 0.273 54.232 54.000 -0.068 0.000 0.879 396 D CB 0.727 41.353 40.800 -0.290 0.000 1.179 396 D HN 0.490 nan 8.370 nan 0.000 0.456 397 D N 1.156 121.619 120.400 0.105 0.000 2.362 397 D HA 0.061 4.704 4.640 0.005 0.000 0.242 397 D C 0.808 177.195 176.300 0.145 0.000 1.132 397 D CA 0.027 54.106 54.000 0.133 0.000 0.907 397 D CB 0.816 41.704 40.800 0.147 0.000 1.195 397 D HN 0.394 nan 8.370 nan 0.000 0.429 398 R N 0.876 121.436 120.500 0.099 0.000 2.487 398 R HA 0.181 4.525 4.340 0.005 0.000 0.272 398 R C -0.280 176.018 176.300 -0.004 0.000 0.928 398 R CA -0.162 55.996 56.100 0.097 0.000 1.077 398 R CB 1.121 31.473 30.300 0.086 0.000 1.265 398 R HN 0.230 nan 8.270 nan 0.000 0.537 399 D N 0.637 120.966 120.400 -0.118 0.000 2.696 399 D HA 0.030 4.674 4.640 0.005 0.000 0.269 399 D C -0.560 175.483 176.300 -0.428 0.000 1.319 399 D CA -0.124 53.753 54.000 -0.205 0.000 0.826 399 D CB 0.358 41.053 40.800 -0.175 0.000 1.086 399 D HN 0.129 nan 8.370 nan 0.000 0.481 400 H N 0.874 119.752 119.070 -0.320 0.000 3.004 400 H HA 0.029 4.589 4.556 0.005 0.000 0.267 400 H C 0.741 176.058 175.328 -0.018 0.000 1.165 400 H CA -0.272 55.666 56.048 -0.184 0.000 1.450 400 H CB -0.004 29.720 29.762 -0.064 0.000 1.488 400 H HN 0.034 nan 8.280 nan 0.000 0.478 401 F N 3.411 123.356 119.950 -0.008 0.000 2.184 401 F HA -0.165 4.366 4.527 0.005 0.000 0.301 401 F C 2.371 178.239 175.800 0.114 0.000 1.076 401 F CA 1.888 59.920 58.000 0.054 0.000 1.295 401 F CB -0.094 38.947 39.000 0.068 0.000 1.026 401 F HN 0.667 nan 8.300 nan 0.000 0.494 402 G N -0.973 108.038 108.800 0.352 0.000 2.625 402 G HA2 -0.199 3.764 3.960 0.005 0.000 0.214 402 G HA3 -0.199 3.764 3.960 0.005 0.000 0.214 402 G C 1.438 176.363 174.900 0.042 0.000 1.132 402 G CA 0.277 45.504 45.100 0.212 0.000 0.782 402 G HN 0.304 nan 8.290 nan 0.000 0.538 403 K N -0.163 120.252 120.400 0.025 0.000 2.440 403 K HA 0.207 4.531 4.320 0.005 0.000 0.206 403 K C 0.240 176.777 176.600 -0.105 0.000 1.025 403 K CA 0.037 56.291 56.287 -0.054 0.000 1.135 403 K CB 0.464 32.949 32.500 -0.024 0.000 0.856 403 K HN 0.161 nan 8.250 nan 0.000 0.502 404 K N 0.636 120.924 120.400 -0.187 0.000 2.350 404 K HA 0.467 4.790 4.320 0.005 0.000 0.241 404 K C -0.379 176.046 176.600 -0.292 0.000 0.994 404 K CA -1.084 55.037 56.287 -0.277 0.000 0.839 404 K CB 1.878 34.111 32.500 -0.444 0.000 1.244 404 K HN -0.182 nan 8.250 nan 0.000 0.443 405 R N 1.076 121.432 120.500 -0.239 0.000 2.795 405 R HA 0.513 4.856 4.340 0.005 0.000 0.275 405 R C -0.698 175.516 176.300 -0.143 0.000 0.981 405 R CA -0.874 55.122 56.100 -0.173 0.000 0.917 405 R CB 1.138 31.361 30.300 -0.128 0.000 1.202 405 R HN 0.507 nan 8.270 nan 0.000 0.469 406 L N 1.250 122.423 121.223 -0.083 0.000 2.322 406 L HA 0.420 4.763 4.340 0.005 0.000 0.279 406 L C -0.197 176.651 176.870 -0.038 0.000 1.036 406 L CA -0.742 54.069 54.840 -0.048 0.000 0.807 406 L CB 1.278 43.336 42.059 -0.002 0.000 1.226 406 L HN 0.297 nan 8.230 nan 0.000 0.433 407 D N 2.963 123.338 120.400 -0.041 0.000 2.303 407 D HA 0.590 5.234 4.640 0.005 0.000 0.236 407 D C -0.543 175.732 176.300 -0.042 0.000 1.068 407 D CA -0.174 53.807 54.000 -0.032 0.000 0.830 407 D CB 2.477 43.261 40.800 -0.028 0.000 1.109 407 D HN 0.182 nan 8.370 nan 0.000 0.496 408 L N 0.913 122.125 121.223 -0.019 0.000 2.271 408 L HA 0.463 4.806 4.340 0.005 0.000 0.265 408 L C 1.712 178.584 176.870 0.002 0.000 1.013 408 L CA -0.587 54.242 54.840 -0.019 0.000 0.820 408 L CB 1.218 43.277 42.059 0.001 0.000 1.352 408 L HN 0.428 nan 8.230 nan 0.000 0.443 409 A N 0.745 123.580 122.820 0.025 0.000 2.054 409 A HA -0.255 4.068 4.320 0.005 0.000 0.225 409 A C 1.732 179.341 177.584 0.042 0.000 1.209 409 A CA 2.477 54.572 52.037 0.096 0.000 0.678 409 A CB -1.594 17.557 19.000 0.252 0.000 0.823 409 A HN 0.930 nan 8.150 nan 0.000 0.484 410 G N -0.591 108.238 108.800 0.048 0.000 2.707 410 G HA2 0.012 3.975 3.960 0.005 0.000 0.204 410 G HA3 0.012 3.975 3.960 0.005 0.000 0.204 410 G C -0.494 174.408 174.900 0.003 0.000 1.435 410 G CA 0.859 45.977 45.100 0.030 0.000 0.890 410 G HN 0.403 nan 8.290 nan 0.000 0.552 411 P HA -0.058 nan 4.420 nan 0.000 0.223 411 P C 1.858 179.221 177.300 0.105 0.000 1.140 411 P CA 0.676 63.836 63.100 0.099 0.000 0.783 411 P CB -0.039 31.701 31.700 0.066 0.000 0.759 412 L N -1.806 119.473 121.223 0.094 0.000 2.007 412 L HA -0.141 4.202 4.340 0.005 0.000 0.205 412 L C 2.374 179.459 176.870 0.357 0.000 1.073 412 L CA 1.329 56.312 54.840 0.240 0.000 0.744 412 L CB -0.912 41.189 42.059 0.069 0.000 0.898 412 L HN -0.027 nan 8.230 nan 0.000 0.435 413 L N -0.410 120.868 121.223 0.092 0.000 2.042 413 L HA -0.232 4.111 4.340 0.005 0.000 0.210 413 L C 2.791 179.608 176.870 -0.088 0.000 1.076 413 L CA 1.290 56.031 54.840 -0.166 0.000 0.749 413 L CB -0.486 41.088 42.059 -0.808 0.000 0.893 413 L HN 0.266 nan 8.230 nan 0.000 0.432 414 A N -0.675 122.156 122.820 0.018 0.000 1.873 414 A HA -0.345 3.978 4.320 0.005 0.000 0.218 414 A C 2.229 179.964 177.584 0.252 0.000 1.193 414 A CA 2.156 54.437 52.037 0.408 0.000 0.629 414 A CB -0.776 18.449 19.000 0.374 0.000 0.826 414 A HN 0.560 nan 8.150 nan 0.000 0.447 415 Q N -0.811 119.082 119.800 0.155 0.000 2.096 415 Q HA -0.190 4.153 4.340 0.005 0.000 0.204 415 Q C 2.035 178.054 176.000 0.032 0.000 0.982 415 Q CA 1.830 57.690 55.803 0.095 0.000 0.850 415 Q CB -0.228 28.575 28.738 0.109 0.000 0.901 415 Q HN 0.636 nan 8.270 nan 0.000 0.422 416 L N -0.399 120.806 121.223 -0.030 0.000 2.044 416 L HA -0.098 4.245 4.340 0.005 0.000 0.205 416 L C 2.235 179.090 176.870 -0.024 0.000 1.075 416 L CA 1.119 55.854 54.840 -0.174 0.000 0.747 416 L CB -0.298 41.486 42.059 -0.457 0.000 0.903 416 L HN 0.298 nan 8.230 nan 0.000 0.435 417 F N 0.337 120.276 119.950 -0.019 0.000 2.234 417 F HA -0.217 4.313 4.527 0.005 0.000 0.299 417 F C 2.417 178.258 175.800 0.069 0.000 1.087 417 F CA 1.548 59.578 58.000 0.050 0.000 1.340 417 F CB -0.096 39.007 39.000 0.171 0.000 1.031 417 F HN -0.045 nan 8.300 nan 0.000 0.500 418 K N -0.267 120.241 120.400 0.180 0.000 1.965 418 K HA -0.181 4.142 4.320 0.005 0.000 0.218 418 K C 1.561 178.168 176.600 0.011 0.000 1.048 418 K CA 2.241 58.590 56.287 0.104 0.000 0.960 418 K CB -0.679 31.878 32.500 0.095 0.000 0.732 418 K HN 0.150 nan 8.250 nan 0.000 0.444 419 T N 1.261 115.806 114.554 -0.015 0.000 3.320 419 T HA -0.033 4.320 4.350 0.005 0.000 0.262 419 T C 1.337 175.984 174.700 -0.089 0.000 1.187 419 T CA 0.619 62.691 62.100 -0.045 0.000 1.038 419 T CB -0.044 68.797 68.868 -0.044 0.000 0.939 419 T HN 0.190 nan 8.240 nan 0.000 0.550 420 L N -1.463 119.680 121.223 -0.134 0.000 2.624 420 L HA 0.378 4.721 4.340 0.005 0.000 0.222 420 L C 1.663 178.401 176.870 -0.220 0.000 1.046 420 L CA 0.057 54.787 54.840 -0.183 0.000 0.872 420 L CB 0.050 41.983 42.059 -0.211 0.000 1.190 420 L HN 0.172 nan 8.230 nan 0.000 0.487 421 F N 0.784 120.446 119.950 -0.480 0.000 2.604 421 F HA -0.065 4.465 4.527 0.005 0.000 0.298 421 F C 2.105 177.764 175.800 -0.235 0.000 1.131 421 F CA 1.287 59.007 58.000 -0.466 0.000 1.457 421 F CB 0.013 38.653 39.000 -0.599 0.000 1.095 421 F HN -0.146 nan 8.300 nan 0.000 0.574 422 K N -0.158 120.119 120.400 -0.205 0.000 2.099 422 K HA -0.076 4.247 4.320 0.005 0.000 0.203 422 K C 1.970 178.462 176.600 -0.180 0.000 1.047 422 K CA 0.607 56.770 56.287 -0.207 0.000 0.963 422 K CB -0.063 32.386 32.500 -0.086 0.000 0.759 422 K HN -0.008 nan 8.250 nan 0.000 0.451 423 K N 1.282 121.601 120.400 -0.136 0.000 2.360 423 K HA -0.120 4.204 4.320 0.005 0.000 0.201 423 K C 1.813 178.340 176.600 -0.122 0.000 1.046 423 K CA 0.526 56.751 56.287 -0.105 0.000 0.945 423 K CB 0.020 32.469 32.500 -0.085 0.000 0.750 423 K HN 0.004 nan 8.250 nan 0.000 0.464 424 L N -0.725 120.384 121.223 -0.189 0.000 2.127 424 L HA 0.003 4.346 4.340 0.005 0.000 0.203 424 L C 2.054 178.806 176.870 -0.198 0.000 1.080 424 L CA 1.717 56.440 54.840 -0.195 0.000 0.768 424 L CB -0.796 41.112 42.059 -0.252 0.000 0.924 424 L HN 0.068 nan 8.230 nan 0.000 0.444 425 T N -0.592 113.775 114.554 -0.312 0.000 3.035 425 T HA -0.143 4.210 4.350 0.005 0.000 0.268 425 T C 1.751 176.394 174.700 -0.094 0.000 1.109 425 T CA 1.444 63.403 62.100 -0.235 0.000 1.119 425 T CB -0.138 68.504 68.868 -0.376 0.000 0.900 425 T HN 0.600 nan 8.240 nan 0.000 0.503 426 K N -0.175 120.178 120.400 -0.079 0.000 2.243 426 K HA 0.058 4.381 4.320 0.005 0.000 0.201 426 K C 1.744 178.399 176.600 0.091 0.000 1.051 426 K CA 1.122 57.409 56.287 -0.000 0.000 0.970 426 K CB -0.014 32.478 32.500 -0.014 0.000 0.755 426 K HN 0.058 nan 8.250 nan 0.000 0.465 427 D N 1.265 121.693 120.400 0.047 0.000 2.219 427 D HA -0.067 4.576 4.640 0.005 0.000 0.205 427 D C 1.742 178.127 176.300 0.142 0.000 0.970 427 D CA 0.710 54.754 54.000 0.074 0.000 0.851 427 D CB 0.110 40.920 40.800 0.017 0.000 0.943 427 D HN 0.237 nan 8.370 nan 0.000 0.488 428 I N 0.024 120.682 120.570 0.146 0.000 2.394 428 I HA -0.193 3.980 4.170 0.005 0.000 0.251 428 I C 2.138 178.410 176.117 0.259 0.000 1.136 428 I CA 0.610 62.035 61.300 0.207 0.000 1.425 428 I CB -1.037 37.072 38.000 0.183 0.000 1.079 428 I HN -0.065 nan 8.210 nan 0.000 0.425 429 F N 2.283 122.257 119.950 0.040 0.000 2.128 429 F HA -0.040 4.490 4.527 0.005 0.000 0.295 429 F C 2.574 178.393 175.800 0.031 0.000 1.100 429 F CA 1.454 59.466 58.000 0.020 0.000 1.260 429 F CB -0.317 38.688 39.000 0.008 0.000 1.009 429 F HN -0.044 nan 8.300 nan 0.000 0.476 430 R N -1.676 118.931 120.500 0.178 0.000 2.313 430 R HA -0.113 4.230 4.340 0.005 0.000 0.199 430 R C 1.002 177.377 176.300 0.125 0.000 0.958 430 R CA 0.357 56.507 56.100 0.083 0.000 1.047 430 R CB -0.276 30.078 30.300 0.090 0.000 0.955 430 R HN 0.360 nan 8.270 nan 0.000 0.481 431 Y N -0.741 119.565 120.300 0.010 0.000 2.430 431 Y HA 0.151 4.704 4.550 0.006 0.000 0.248 431 Y C 1.741 177.634 175.900 -0.011 0.000 1.108 431 Y CA -0.050 58.050 58.100 0.001 0.000 1.264 431 Y CB 0.366 38.835 38.460 0.015 0.000 1.172 431 Y HN -0.168 nan 8.280 nan 0.000 0.520 432 M N 0.223 119.768 119.600 -0.091 0.000 2.123 432 M HA -0.143 4.340 4.480 0.005 0.000 0.263 432 M C 2.059 178.226 176.300 -0.221 0.000 1.069 432 M CA 1.810 57.004 55.300 -0.177 0.000 1.133 432 M CB -0.182 32.368 32.600 -0.084 0.000 1.356 432 M HN 0.245 nan 8.290 nan 0.000 0.415 433 Q N -0.542 119.126 119.800 -0.220 0.000 2.030 433 Q HA -0.197 4.147 4.340 0.005 0.000 0.204 433 Q C 1.969 177.879 176.000 -0.150 0.000 0.986 433 Q CA 1.689 57.368 55.803 -0.207 0.000 0.843 433 Q CB -0.288 28.326 28.738 -0.207 0.000 0.904 433 Q HN 0.461 nan 8.270 nan 0.000 0.420 434 R N 0.177 120.603 120.500 -0.123 0.000 2.339 434 R HA -0.004 4.339 4.340 0.005 0.000 0.199 434 R C 0.398 176.617 176.300 -0.135 0.000 1.018 434 R CA 0.658 56.706 56.100 -0.087 0.000 1.036 434 R CB 0.232 30.526 30.300 -0.009 0.000 0.899 434 R HN 0.052 nan 8.270 nan 0.000 0.473 435 T N 0.733 115.148 114.554 -0.230 0.000 3.540 435 T HA 0.108 4.461 4.350 0.005 0.000 0.269 435 T C 1.269 175.880 174.700 -0.149 0.000 1.481 435 T CA -0.215 61.744 62.100 -0.235 0.000 1.224 435 T CB 0.606 69.242 68.868 -0.387 0.000 1.192 435 T HN -0.080 nan 8.240 nan 0.000 0.756 436 V N 0.223 120.074 119.914 -0.106 0.000 2.759 436 V HA -0.052 4.071 4.120 0.005 0.000 0.256 436 V C 1.569 177.626 176.094 -0.062 0.000 1.080 436 V CA 1.064 63.316 62.300 -0.079 0.000 1.101 436 V CB -0.654 31.131 31.823 -0.062 0.000 0.698 436 V HN 0.726 nan 8.190 nan 0.000 0.477 447 A N 4.290 127.112 122.820 0.004 0.000 2.416 447 A HA -0.100 4.223 4.320 0.005 0.000 0.293 447 A C -0.166 177.289 177.584 -0.214 0.000 1.452 447 A CA 1.410 53.347 52.037 -0.166 0.000 0.738 447 A CB -2.053 16.730 19.000 -0.362 0.000 1.123 447 A HN 0.733 nan 8.150 nan 0.000 0.389 448 I N 0.093 120.616 120.570 -0.079 0.000 2.378 448 I HA 0.265 4.438 4.170 0.005 0.000 0.291 448 I C 0.619 176.708 176.117 -0.047 0.000 0.992 448 I CA -1.041 60.232 61.300 -0.045 0.000 1.154 448 I CB 1.341 39.359 38.000 0.029 0.000 1.315 448 I HN 0.457 nan 8.210 nan 0.000 0.448 449 N N 4.826 123.486 118.700 -0.067 0.000 3.127 449 N HA 0.159 4.903 4.740 0.005 0.000 0.317 449 N C 1.266 176.768 175.510 -0.014 0.000 1.242 449 N CA 0.262 53.281 53.050 -0.051 0.000 1.203 449 N CB 0.300 38.746 38.487 -0.068 0.000 1.462 449 N HN 0.729 nan 8.380 nan 0.000 0.546 450 A N 2.251 125.094 122.820 0.038 0.000 1.954 450 A HA -0.289 4.034 4.320 0.005 0.000 0.222 450 A C 2.129 179.748 177.584 0.058 0.000 1.199 450 A CA 1.732 53.825 52.037 0.093 0.000 0.657 450 A CB -0.658 18.533 19.000 0.318 0.000 0.823 450 A HN 0.655 nan 8.150 nan 0.000 0.463 451 K N -0.870 119.557 120.400 0.046 0.000 2.163 451 K HA -0.260 4.063 4.320 0.005 0.000 0.210 451 K C 1.955 178.553 176.600 -0.003 0.000 1.048 451 K CA 2.231 58.531 56.287 0.022 0.000 0.928 451 K CB -0.519 31.979 32.500 -0.005 0.000 0.716 451 K HN 0.688 nan 8.250 nan 0.000 0.459 452 T N 1.642 116.181 114.554 -0.025 0.000 2.652 452 T HA -0.168 4.185 4.350 0.005 0.000 0.267 452 T C 1.996 176.667 174.700 -0.048 0.000 1.039 452 T CA 1.314 63.387 62.100 -0.045 0.000 1.153 452 T CB -0.214 68.615 68.868 -0.064 0.000 0.863 452 T HN 0.063 nan 8.240 nan 0.000 0.428 453 I N 2.028 122.566 120.570 -0.054 0.000 2.036 453 I HA -0.195 3.978 4.170 0.005 0.000 0.231 453 I C 2.787 178.906 176.117 0.002 0.000 1.044 453 I CA 1.671 62.942 61.300 -0.049 0.000 1.315 453 I CB -1.861 36.108 38.000 -0.052 0.000 1.051 453 I HN 0.269 nan 8.210 nan 0.000 0.391 454 T N 0.636 115.208 114.554 0.030 0.000 2.564 454 T HA -0.278 4.075 4.350 0.005 0.000 0.264 454 T C 2.045 176.772 174.700 0.045 0.000 1.100 454 T CA 2.632 64.767 62.100 0.057 0.000 1.171 454 T CB -0.557 68.365 68.868 0.090 0.000 0.863 454 T HN 0.317 nan 8.240 nan 0.000 0.430 455 S N 0.017 115.735 115.700 0.030 0.000 2.474 455 S HA 0.051 4.524 4.470 0.005 0.000 0.235 455 S C 2.002 176.627 174.600 0.042 0.000 0.997 455 S CA 1.212 59.429 58.200 0.029 0.000 0.949 455 S CB -0.467 62.734 63.200 0.002 0.000 0.766 455 S HN 0.621 nan 8.310 nan 0.000 0.517 456 G N 0.163 108.976 108.800 0.022 0.000 2.796 456 G HA2 0.179 4.143 3.960 0.005 0.000 0.210 456 G HA3 0.179 4.143 3.960 0.005 0.000 0.210 456 G C 1.231 176.123 174.900 -0.013 0.000 1.146 456 G CA -0.068 45.044 45.100 0.020 0.000 0.779 456 G HN 0.472 nan 8.290 nan 0.000 0.535 457 L N -0.152 121.062 121.223 -0.015 0.000 2.127 457 L HA 0.139 4.482 4.340 0.005 0.000 0.203 457 L C 2.729 179.585 176.870 -0.024 0.000 1.080 457 L CA 0.762 55.572 54.840 -0.050 0.000 0.768 457 L CB -0.101 41.961 42.059 0.004 0.000 0.924 457 L HN 0.069 nan 8.230 nan 0.000 0.444 458 K N -0.982 119.438 120.400 0.034 0.000 2.283 458 K HA -0.202 4.121 4.320 0.005 0.000 0.202 458 K C 1.919 178.580 176.600 0.101 0.000 1.048 458 K CA 1.111 57.436 56.287 0.063 0.000 0.948 458 K CB -0.051 32.493 32.500 0.075 0.000 0.742 458 K HN 0.201 nan 8.250 nan 0.000 0.458 459 Y N 1.004 121.290 120.300 -0.022 0.000 2.314 459 Y HA 0.004 4.557 4.550 0.005 0.000 0.294 459 Y C 2.052 177.948 175.900 -0.006 0.000 1.119 459 Y CA 0.608 58.699 58.100 -0.016 0.000 1.179 459 Y CB -0.332 38.109 38.460 -0.032 0.000 1.025 459 Y HN -0.020 nan 8.280 nan 0.000 0.541 460 A N 0.620 123.314 122.820 -0.209 0.000 1.835 460 A HA -0.150 4.173 4.320 0.005 0.000 0.215 460 A C 2.197 179.788 177.584 0.012 0.000 1.199 460 A CA 1.889 53.766 52.037 -0.268 0.000 0.615 460 A CB -1.264 17.413 19.000 -0.538 0.000 0.838 460 A HN 0.469 nan 8.150 nan 0.000 0.444 461 L N -0.523 120.746 121.223 0.077 0.000 2.456 461 L HA -0.110 4.233 4.340 0.005 0.000 0.224 461 L C 2.779 179.696 176.870 0.079 0.000 1.148 461 L CA 0.507 55.446 54.840 0.166 0.000 0.825 461 L CB -0.322 41.770 42.059 0.055 0.000 0.937 461 L HN 0.491 nan 8.230 nan 0.000 0.450 462 A N -0.624 122.210 122.820 0.023 0.000 1.970 462 A HA -0.006 4.317 4.320 0.005 0.000 0.216 462 A C 1.286 178.866 177.584 -0.006 0.000 1.170 462 A CA 1.394 53.445 52.037 0.022 0.000 0.645 462 A CB -0.326 18.702 19.000 0.046 0.000 0.816 462 A HN 0.416 nan 8.150 nan 0.000 0.447 463 T N -5.560 108.953 114.554 -0.068 0.000 2.910 463 T HA 0.544 4.897 4.350 0.005 0.000 0.287 463 T C 1.253 175.938 174.700 -0.025 0.000 1.050 463 T CA 0.003 62.059 62.100 -0.073 0.000 1.011 463 T CB 1.188 69.948 68.868 -0.180 0.000 1.195 463 T HN 0.288 nan 8.240 nan 0.000 0.540 464 G N 0.468 109.257 108.800 -0.019 0.000 2.462 464 G HA2 -0.119 3.844 3.960 0.005 0.000 0.220 464 G HA3 -0.119 3.844 3.960 0.005 0.000 0.220 464 G C 0.631 175.553 174.900 0.037 0.000 1.121 464 G CA 0.040 45.138 45.100 -0.002 0.000 0.758 464 G HN 0.781 nan 8.290 nan 0.000 0.559 465 N N 0.842 119.531 118.700 -0.018 0.000 2.410 465 N HA -0.018 4.726 4.740 0.005 0.000 0.281 465 N C -0.825 174.699 175.510 0.023 0.000 1.241 465 N CA 0.104 53.136 53.050 -0.030 0.000 0.998 465 N CB 0.250 38.647 38.487 -0.150 0.000 1.376 465 N HN 0.393 nan 8.380 nan 0.000 0.490 466 W N 3.142 124.375 121.300 -0.112 0.000 2.292 466 W HA 0.336 4.999 4.660 0.005 0.000 0.352 466 W C 0.241 176.732 176.519 -0.047 0.000 0.962 466 W CA -0.342 56.950 57.345 -0.090 0.000 1.496 466 W CB 0.409 29.828 29.460 -0.069 0.000 1.381 466 W HN 0.617 nan 8.180 nan 0.000 0.363 467 G N 2.967 111.640 108.800 -0.212 0.000 2.201 467 G HA2 0.041 4.004 3.960 0.005 0.000 0.102 467 G HA3 0.041 4.004 3.960 0.005 0.000 0.102 467 G C -0.588 174.260 174.900 -0.088 0.000 0.833 467 G CA 0.170 45.187 45.100 -0.139 0.000 1.207 467 G HN 0.303 nan 8.290 nan 0.000 0.435 468 E N 0.194 120.424 120.200 0.051 0.000 4.598 468 E HA 0.012 4.365 4.350 0.005 0.000 0.359 468 E C 0.490 177.178 176.600 0.147 0.000 1.097 468 E CA 1.150 57.675 56.400 0.209 0.000 0.844 468 E CB -0.953 28.823 29.700 0.127 0.000 1.107 468 E HN 1.824 nan 8.360 nan 0.000 0.602 469 Q N 1.475 121.380 119.800 0.175 0.000 2.087 469 Q HA -0.396 3.948 4.340 0.005 0.000 0.153 469 Q C -0.071 175.959 176.000 0.049 0.000 0.706 469 Q CA 2.609 58.429 55.803 0.028 0.000 1.467 469 Q CB -1.515 27.191 28.738 -0.053 0.000 1.557 469 Q HN 0.589 nan 8.270 nan 0.000 0.862 470 K N 1.292 121.731 120.400 0.064 0.000 2.020 470 K HA -0.047 4.276 4.320 0.005 0.000 0.206 470 K C 0.953 177.594 176.600 0.068 0.000 1.038 470 K CA 1.369 57.687 56.287 0.052 0.000 0.947 470 K CB 0.055 32.578 32.500 0.039 0.000 0.744 470 K HN 0.411 nan 8.250 nan 0.000 0.442 471 K N -0.814 119.635 120.400 0.082 0.000 3.377 471 K HA -0.331 3.992 4.320 0.005 0.000 0.314 471 K C 0.946 177.582 176.600 0.060 0.000 1.246 471 K CA 1.608 57.941 56.287 0.078 0.000 0.961 471 K CB -2.427 30.131 32.500 0.098 0.000 1.233 471 K HN 0.196 nan 8.250 nan 0.000 0.428 472 A N 0.947 123.798 122.820 0.051 0.000 1.892 472 A HA 0.046 4.370 4.320 0.005 0.000 0.218 472 A C 1.221 178.830 177.584 0.043 0.000 1.188 472 A CA 1.754 53.816 52.037 0.042 0.000 0.631 472 A CB -0.464 18.558 19.000 0.037 0.000 0.822 472 A HN 0.503 nan 8.150 nan 0.000 0.447 473 M N 1.262 120.890 119.600 0.047 0.000 2.474 473 M HA 0.038 4.521 4.480 0.005 0.000 0.352 473 M C 0.987 177.320 176.300 0.055 0.000 1.690 473 M CA -0.032 55.298 55.300 0.050 0.000 1.112 473 M CB 0.235 32.868 32.600 0.055 0.000 2.062 473 M HN 0.211 nan 8.290 nan 0.000 0.461 474 S N 1.033 116.760 115.700 0.045 0.000 2.559 474 S HA -0.165 4.308 4.470 0.005 0.000 0.250 474 S C 1.944 176.572 174.600 0.048 0.000 0.977 474 S CA 1.032 59.256 58.200 0.040 0.000 0.958 474 S CB -0.514 62.703 63.200 0.029 0.000 0.751 474 S HN 0.976 nan 8.310 nan 0.000 0.534 475 S N 3.453 119.193 115.700 0.067 0.000 2.408 475 S HA -0.390 4.083 4.470 0.005 0.000 0.241 475 S C 1.725 176.383 174.600 0.097 0.000 1.080 475 S CA 1.784 60.043 58.200 0.099 0.000 1.109 475 S CB -0.966 62.331 63.200 0.161 0.000 0.966 475 S HN 0.830 nan 8.310 nan 0.000 0.449 476 R N 2.515 123.072 120.500 0.095 0.000 2.429 476 R HA -0.112 4.231 4.340 0.005 0.000 0.249 476 R C 2.060 178.379 176.300 0.033 0.000 1.203 476 R CA 1.143 57.286 56.100 0.072 0.000 1.062 476 R CB -1.473 28.858 30.300 0.053 0.000 0.849 476 R HN 0.518 nan 8.270 nan 0.000 0.494 477 A N 0.890 123.721 122.820 0.019 0.000 2.001 477 A HA -0.185 4.138 4.320 0.005 0.000 0.224 477 A C 2.013 179.585 177.584 -0.020 0.000 1.203 477 A CA 2.135 54.169 52.037 -0.005 0.000 0.667 477 A CB -0.771 18.220 19.000 -0.016 0.000 0.823 477 A HN 0.817 nan 8.150 nan 0.000 0.473 478 G N -3.523 105.254 108.800 -0.039 0.000 2.789 478 G HA2 0.168 4.131 3.960 0.005 0.000 0.218 478 G HA3 0.168 4.131 3.960 0.005 0.000 0.218 478 G C 0.032 174.874 174.900 -0.097 0.000 0.980 478 G CA -0.115 44.956 45.100 -0.047 0.000 0.848 478 G HN 0.894 nan 8.290 nan 0.000 0.591 479 V N 1.566 121.368 119.914 -0.186 0.000 3.388 479 V HA 0.293 4.416 4.120 0.005 0.000 0.301 479 V C 1.723 177.672 176.094 -0.241 0.000 1.160 479 V CA 0.985 63.087 62.300 -0.331 0.000 1.277 479 V CB 0.446 31.840 31.823 -0.714 0.000 1.018 479 V HN 1.979 nan 8.190 nan 0.000 0.504 480 S N 0.389 115.941 115.700 -0.247 0.000 3.292 480 S HA -0.219 4.255 4.470 0.005 0.000 0.360 480 S C -0.005 174.587 174.600 -0.013 0.000 0.930 480 S CA 1.177 59.326 58.200 -0.085 0.000 1.317 480 S CB -1.804 61.381 63.200 -0.025 0.000 0.920 480 S HN 1.022 nan 8.310 nan 0.000 0.540 481 Q N -0.360 119.451 119.800 0.018 0.000 2.185 481 Q HA 0.661 5.004 4.340 0.005 0.000 0.225 481 Q C 0.656 176.730 176.000 0.123 0.000 0.983 481 Q CA -0.976 54.873 55.803 0.076 0.000 0.950 481 Q CB 0.769 29.576 28.738 0.115 0.000 1.176 481 Q HN 0.343 nan 8.270 nan 0.000 0.510 482 V N 1.259 121.208 119.914 0.057 0.000 3.413 482 V HA -0.005 4.118 4.120 0.005 0.000 0.344 482 V C 0.703 176.782 176.094 -0.025 0.000 1.225 482 V CA 0.003 62.303 62.300 -0.001 0.000 1.324 482 V CB -2.226 29.569 31.823 -0.045 0.000 1.161 482 V HN 0.711 nan 8.190 nan 0.000 0.432 483 L N 0.438 121.710 121.223 0.081 0.000 7.103 483 L HA -0.278 4.065 4.340 0.005 0.000 0.158 483 L C 0.265 177.066 176.870 -0.115 0.000 1.238 483 L CA 1.608 56.515 54.840 0.112 0.000 1.517 483 L CB -0.158 41.864 42.059 -0.063 0.000 2.647 483 L HN 0.685 nan 8.230 nan 0.000 1.080 484 N N 0.301 118.941 118.700 -0.100 0.000 2.751 484 N HA 0.247 4.991 4.740 0.005 0.000 0.234 484 N C -0.821 174.650 175.510 -0.067 0.000 1.403 484 N CA -0.349 52.594 53.050 -0.178 0.000 0.747 484 N CB 0.353 38.685 38.487 -0.259 0.000 1.326 484 N HN 0.522 nan 8.380 nan 0.000 0.532 485 R N 1.584 122.034 120.500 -0.084 0.000 4.031 485 R HA 0.075 4.419 4.340 0.005 0.000 0.269 485 R C 0.179 176.452 176.300 -0.047 0.000 1.668 485 R CA -0.237 55.832 56.100 -0.050 0.000 1.432 485 R CB 0.006 30.240 30.300 -0.109 0.000 1.374 485 R HN 0.430 nan 8.270 nan 0.000 0.681 486 Y N 0.114 120.337 120.300 -0.129 0.000 2.205 486 Y HA 0.120 4.673 4.550 0.005 0.000 0.292 486 Y C 0.590 176.493 175.900 0.005 0.000 1.119 486 Y CA 0.753 58.784 58.100 -0.115 0.000 1.117 486 Y CB 0.711 39.098 38.460 -0.121 0.000 1.037 486 Y HN -0.171 nan 8.280 nan 0.000 0.510 487 T N -0.102 114.466 114.554 0.023 0.000 2.886 487 T HA 0.130 4.483 4.350 0.005 0.000 0.292 487 T C -0.074 174.648 174.700 0.037 0.000 1.012 487 T CA -0.560 61.510 62.100 -0.050 0.000 0.982 487 T CB 1.202 69.967 68.868 -0.172 0.000 1.018 487 T HN 0.219 nan 8.240 nan 0.000 0.451 488 Y N 3.155 123.408 120.300 -0.078 0.000 2.181 488 Y HA -0.213 4.340 4.550 0.005 0.000 0.284 488 Y C 2.665 178.519 175.900 -0.077 0.000 1.179 488 Y CA 2.470 60.525 58.100 -0.077 0.000 1.179 488 Y CB -0.168 38.193 38.460 -0.164 0.000 0.973 488 Y HN 0.665 nan 8.280 nan 0.000 0.519 489 S N -0.908 114.764 115.700 -0.048 0.000 2.407 489 S HA -0.226 4.247 4.470 0.005 0.000 0.235 489 S C 1.969 176.516 174.600 -0.088 0.000 1.036 489 S CA 2.153 60.318 58.200 -0.059 0.000 1.013 489 S CB -0.641 62.576 63.200 0.028 0.000 0.820 489 S HN 0.715 nan 8.310 nan 0.000 0.476 490 S N -1.029 114.630 115.700 -0.067 0.000 2.502 490 S HA 0.092 4.565 4.470 0.005 0.000 0.228 490 S C 1.864 176.451 174.600 -0.022 0.000 1.061 490 S CA 0.634 58.823 58.200 -0.019 0.000 0.935 490 S CB -0.938 62.277 63.200 0.024 0.000 0.809 490 S HN 0.466 nan 8.310 nan 0.000 0.510 491 T N 3.398 117.921 114.554 -0.052 0.000 2.649 491 T HA -0.055 4.298 4.350 0.005 0.000 0.268 491 T C 1.477 176.122 174.700 -0.091 0.000 1.036 491 T CA 1.470 63.540 62.100 -0.051 0.000 1.157 491 T CB -0.570 68.253 68.868 -0.075 0.000 0.861 491 T HN 0.236 nan 8.240 nan 0.000 0.445 492 L N 0.410 121.501 121.223 -0.220 0.000 2.552 492 L HA 0.040 4.384 4.340 0.005 0.000 0.227 492 L C 2.376 179.182 176.870 -0.106 0.000 1.146 492 L CA 0.585 55.286 54.840 -0.231 0.000 0.858 492 L CB -0.190 41.636 42.059 -0.389 0.000 0.969 492 L HN 0.274 nan 8.230 nan 0.000 0.451 493 S N -1.662 114.006 115.700 -0.052 0.000 2.438 493 S HA -0.104 4.369 4.470 0.005 0.000 0.220 493 S C 1.808 176.416 174.600 0.012 0.000 1.045 493 S CA -0.024 58.169 58.200 -0.013 0.000 0.940 493 S CB -0.137 63.069 63.200 0.009 0.000 0.863 493 S HN 0.495 nan 8.310 nan 0.000 0.539 494 H N 0.618 119.655 119.070 -0.055 0.000 2.566 494 H HA 0.046 4.605 4.556 0.005 0.000 0.285 494 H C 1.515 176.817 175.328 -0.043 0.000 1.041 494 H CA 0.711 56.731 56.048 -0.048 0.000 1.207 494 H CB 0.022 29.755 29.762 -0.048 0.000 1.353 494 H HN 0.294 nan 8.280 nan 0.000 0.604 495 L N -0.210 120.963 121.223 -0.082 0.000 2.354 495 L HA 0.070 4.413 4.340 0.005 0.000 0.212 495 L C 0.847 177.652 176.870 -0.109 0.000 1.091 495 L CA 0.519 55.297 54.840 -0.103 0.000 0.828 495 L CB 0.336 42.363 42.059 -0.053 0.000 0.973 495 L HN 0.009 nan 8.230 nan 0.000 0.461 496 R N 0.001 120.448 120.500 -0.089 0.000 3.057 496 R HA 0.335 4.678 4.340 0.005 0.000 0.291 496 R C -0.385 175.870 176.300 -0.074 0.000 1.394 496 R CA -0.171 55.885 56.100 -0.073 0.000 1.630 496 R CB 0.770 31.039 30.300 -0.051 0.000 1.268 496 R HN 0.039 nan 8.270 nan 0.000 0.621 497 R N -0.087 120.353 120.500 -0.100 0.000 2.919 497 R HA 0.542 4.885 4.340 0.005 0.000 0.260 497 R C -0.883 175.376 176.300 -0.069 0.000 1.067 497 R CA -0.553 55.495 56.100 -0.085 0.000 1.003 497 R CB 2.216 32.447 30.300 -0.116 0.000 1.192 497 R HN 0.064 nan 8.270 nan 0.000 0.488 498 T N 1.558 116.087 114.554 -0.042 0.000 3.335 498 T HA 0.193 4.546 4.350 0.005 0.000 0.321 498 T C -1.554 173.144 174.700 -0.004 0.000 0.960 498 T CA -0.659 61.434 62.100 -0.012 0.000 1.034 498 T CB 0.899 69.790 68.868 0.038 0.000 1.040 498 T HN 0.534 nan 8.240 nan 0.000 0.454 499 N N 1.780 120.466 118.700 -0.022 0.000 2.399 499 N HA 0.632 5.376 4.740 0.005 0.000 0.295 499 N C -0.920 174.583 175.510 -0.011 0.000 1.048 499 N CA -0.261 52.776 53.050 -0.021 0.000 0.886 499 N CB 1.144 39.602 38.487 -0.048 0.000 1.185 499 N HN 0.422 nan 8.380 nan 0.000 0.487 500 T N 3.475 118.029 114.554 0.001 0.000 2.812 500 T HA 0.476 4.830 4.350 0.005 0.000 0.282 500 T C -2.472 172.226 174.700 -0.002 0.000 0.990 500 T CA -1.172 60.930 62.100 0.003 0.000 0.960 500 T CB 1.535 70.419 68.868 0.027 0.000 0.948 500 T HN 0.446 nan 8.240 nan 0.000 0.438 501 P HA 0.340 nan 4.420 nan 0.000 0.270 501 P C 0.624 177.923 177.300 -0.001 0.000 1.227 501 P CA -0.286 62.811 63.100 -0.005 0.000 0.788 501 P CB 0.401 32.098 31.700 -0.006 0.000 0.926 510 K N 1.213 121.629 120.400 0.028 0.000 2.800 510 K HA 0.396 4.719 4.320 0.005 0.000 0.185 510 K C -2.222 174.419 176.600 0.067 0.000 1.082 510 K CA -1.587 54.730 56.287 0.049 0.000 0.978 510 K CB 1.711 34.251 32.500 0.066 0.000 1.364 510 K HN 0.277 nan 8.250 nan 0.000 0.592 511 P HA -0.013 nan 4.420 nan 0.000 0.230 511 P C 0.483 177.846 177.300 0.106 0.000 1.168 511 P CA 0.609 63.753 63.100 0.074 0.000 0.793 511 P CB 0.528 32.256 31.700 0.046 0.000 0.851 512 R N -0.998 119.555 120.500 0.088 0.000 2.173 512 R HA 0.113 4.457 4.340 0.005 0.000 0.208 512 R C 1.089 177.453 176.300 0.106 0.000 1.035 512 R CA -0.019 56.132 56.100 0.084 0.000 1.004 512 R CB -0.530 29.804 30.300 0.056 0.000 0.917 512 R HN 0.180 nan 8.270 nan 0.000 0.462 513 Q N 0.923 120.793 119.800 0.116 0.000 2.427 513 Q HA -0.075 4.268 4.340 0.005 0.000 0.310 513 Q C -0.509 175.616 176.000 0.207 0.000 1.167 513 Q CA 0.433 56.318 55.803 0.135 0.000 0.991 513 Q CB 0.356 29.173 28.738 0.132 0.000 1.287 513 Q HN 0.067 nan 8.270 nan 0.000 0.443 514 L N 2.932 124.273 121.223 0.197 0.000 2.449 514 L HA 0.216 4.560 4.340 0.005 0.000 0.255 514 L C -0.820 176.234 176.870 0.308 0.000 1.167 514 L CA -0.116 54.915 54.840 0.319 0.000 1.090 514 L CB -0.477 41.687 42.059 0.176 0.000 1.385 514 L HN 0.602 nan 8.230 nan 0.000 0.411 515 H N 2.014 121.143 119.070 0.098 0.000 2.972 515 H HA 0.043 4.602 4.556 0.005 0.000 0.343 515 H C 1.228 176.444 175.328 -0.188 0.000 1.054 515 H CA 1.024 56.989 56.048 -0.139 0.000 1.412 515 H CB 0.719 30.338 29.762 -0.239 0.000 1.385 515 H HN 0.692 nan 8.280 nan 0.000 0.600 516 N N 1.980 120.222 118.700 -0.763 0.000 2.058 516 N HA -0.288 4.456 4.740 0.005 0.000 0.200 516 N C 1.491 176.895 175.510 -0.177 0.000 1.033 516 N CA 2.442 55.236 53.050 -0.428 0.000 0.880 516 N CB -0.527 37.657 38.487 -0.505 0.000 1.069 516 N HN 0.816 nan 8.380 nan 0.000 0.461 517 T N -0.958 113.524 114.554 -0.121 0.000 3.026 517 T HA -0.137 4.216 4.350 0.005 0.000 0.271 517 T C 1.324 176.052 174.700 0.047 0.000 1.149 517 T CA 0.944 63.035 62.100 -0.015 0.000 1.088 517 T CB -0.482 68.313 68.868 -0.122 0.000 0.857 517 T HN 0.273 nan 8.240 nan 0.000 0.551 518 H N -0.215 118.885 119.070 0.050 0.000 2.489 518 H HA -0.011 4.548 4.556 0.006 0.000 0.295 518 H C 0.951 176.257 175.328 -0.036 0.000 1.082 518 H CA 0.332 56.322 56.048 -0.097 0.000 1.295 518 H CB -0.634 29.064 29.762 -0.108 0.000 1.380 518 H HN 0.603 nan 8.280 nan 0.000 0.548 519 W N 2.363 123.666 121.300 0.005 0.000 2.571 519 W HA -0.066 4.598 4.660 0.006 0.000 0.351 519 W C 0.794 177.291 176.519 -0.037 0.000 1.106 519 W CA 1.654 58.985 57.345 -0.022 0.000 1.158 519 W CB -0.247 29.193 29.460 -0.033 0.000 1.161 519 W HN 0.527 nan 8.180 nan 0.000 0.578 520 G N 4.108 112.551 108.800 -0.594 0.000 2.148 520 G HA2 -0.325 3.639 3.960 0.005 0.000 0.254 520 G HA3 -0.325 3.639 3.960 0.005 0.000 0.254 520 G C 0.458 175.191 174.900 -0.279 0.000 0.981 520 G CA 0.466 45.249 45.100 -0.528 0.000 0.670 520 G HN 0.592 nan 8.290 nan 0.000 0.528 521 L N -1.678 119.409 121.223 -0.227 0.000 2.641 521 L HA 0.369 4.713 4.340 0.005 0.000 0.207 521 L C 0.756 177.477 176.870 -0.248 0.000 1.049 521 L CA 0.211 54.930 54.840 -0.201 0.000 0.866 521 L CB 0.249 42.207 42.059 -0.167 0.000 1.264 521 L HN 0.060 nan 8.230 nan 0.000 0.483 522 V N -0.035 119.690 119.914 -0.314 0.000 2.555 522 V HA 0.242 4.366 4.120 0.005 0.000 0.302 522 V C -0.147 175.784 176.094 -0.271 0.000 1.038 522 V CA -1.144 60.950 62.300 -0.342 0.000 0.887 522 V CB 2.278 33.749 31.823 -0.586 0.000 0.991 522 V HN 0.298 nan 8.190 nan 0.000 0.434 523 C N 7.535 126.714 119.300 -0.201 0.000 2.657 523 C HA 0.253 4.716 4.460 0.005 0.000 0.420 523 C C -0.238 174.669 174.990 -0.137 0.000 1.323 523 C CA -0.613 58.318 59.018 -0.146 0.000 1.894 523 C CB 0.433 28.117 27.740 -0.093 0.000 2.681 523 C HN 0.871 nan 8.230 nan 0.000 0.613 524 P HA 0.117 nan 4.420 nan 0.000 0.240 524 P C 0.355 177.647 177.300 -0.014 0.000 1.190 524 P CA 1.332 64.405 63.100 -0.045 0.000 0.781 524 P CB 0.228 31.930 31.700 0.004 0.000 0.931 525 A N -0.705 122.109 122.820 -0.010 0.000 2.427 525 A HA 0.151 4.474 4.320 0.005 0.000 0.225 525 A C 0.866 178.461 177.584 0.018 0.000 1.257 525 A CA -0.084 51.965 52.037 0.021 0.000 0.985 525 A CB -0.188 18.838 19.000 0.044 0.000 1.136 525 A HN 0.086 nan 8.150 nan 0.000 0.538 526 E N 1.421 121.616 120.200 -0.009 0.000 2.070 526 E HA 0.420 4.773 4.350 0.005 0.000 0.282 526 E C -0.526 176.063 176.600 -0.019 0.000 1.104 526 E CA 0.197 56.593 56.400 -0.007 0.000 0.876 526 E CB 0.269 29.959 29.700 -0.016 0.000 1.055 526 E HN 0.252 nan 8.360 nan 0.000 0.401 527 T N 3.747 118.298 114.554 -0.005 0.000 2.886 527 T HA 0.421 4.774 4.350 0.005 0.000 0.330 527 T C -2.927 171.764 174.700 -0.014 0.000 1.488 527 T CA -1.576 60.517 62.100 -0.012 0.000 1.054 527 T CB 1.468 70.329 68.868 -0.012 0.000 1.348 527 T HN 0.194 nan 8.240 nan 0.000 0.489 528 P HA 0.457 nan 4.420 nan 0.000 0.292 528 P C -1.110 176.162 177.300 -0.046 0.000 1.287 528 P CA -0.443 62.636 63.100 -0.036 0.000 0.800 528 P CB 0.521 32.205 31.700 -0.027 0.000 0.945 529 E N 1.481 121.631 120.200 -0.082 0.000 2.216 529 E HA 0.576 4.930 4.350 0.005 0.000 0.279 529 E C 0.648 177.201 176.600 -0.079 0.000 0.997 529 E CA -0.918 55.425 56.400 -0.096 0.000 0.817 529 E CB 0.563 30.146 29.700 -0.194 0.000 1.096 529 E HN 0.696 nan 8.360 nan 0.000 0.393 530 G N 1.574 110.344 108.800 -0.051 0.000 2.750 530 G HA2 -0.339 3.624 3.960 0.005 0.000 0.228 530 G HA3 -0.339 3.624 3.960 0.005 0.000 0.228 530 G C 0.204 175.088 174.900 -0.026 0.000 1.367 530 G CA -0.004 45.074 45.100 -0.036 0.000 0.871 530 G HN 0.808 nan 8.290 nan 0.000 0.560 531 Q N -2.701 117.087 119.800 -0.021 0.000 2.015 531 Q HA -0.297 4.046 4.340 0.005 0.000 0.393 531 Q C 1.321 177.315 176.000 -0.011 0.000 0.701 531 Q CA 2.122 57.914 55.803 -0.017 0.000 0.921 531 Q CB -1.755 26.969 28.738 -0.022 0.000 2.909 531 Q HN 2.527 nan 8.270 nan 0.000 0.814 532 A N 0.895 123.709 122.820 -0.011 0.000 3.016 532 A HA 0.468 4.791 4.320 0.005 0.000 0.303 532 A C -0.314 177.268 177.584 -0.003 0.000 1.507 532 A CA -0.132 51.903 52.037 -0.004 0.000 1.196 532 A CB 0.129 19.127 19.000 -0.004 0.000 1.169 532 A HN 0.453 nan 8.150 nan 0.000 0.544 533 C N 1.622 120.922 119.300 -0.000 0.000 2.319 533 C HA 0.651 5.114 4.460 0.005 0.000 0.335 533 C C 1.641 176.640 174.990 0.015 0.000 1.274 533 C CA 1.109 60.128 59.018 0.001 0.000 1.806 533 C CB -0.463 27.276 27.740 -0.002 0.000 2.329 533 C HN 1.901 nan 8.230 nan 0.000 0.524 534 G N 4.761 113.569 108.800 0.013 0.000 2.304 534 G HA2 -0.293 3.670 3.960 0.005 0.000 0.252 534 G HA3 -0.293 3.670 3.960 0.005 0.000 0.252 534 G C 0.688 175.609 174.900 0.035 0.000 1.014 534 G CA 0.796 45.911 45.100 0.025 0.000 0.619 534 G HN 0.743 nan 8.290 nan 0.000 0.525 535 L N 0.264 121.505 121.223 0.030 0.000 2.044 535 L HA 0.201 4.544 4.340 0.005 0.000 0.205 535 L C 1.705 178.592 176.870 0.027 0.000 1.075 535 L CA 0.889 55.750 54.840 0.035 0.000 0.747 535 L CB -0.223 41.849 42.059 0.022 0.000 0.903 535 L HN 0.199 nan 8.230 nan 0.000 0.435 536 V N 0.762 120.683 119.914 0.011 0.000 2.530 536 V HA 0.127 4.251 4.120 0.005 0.000 0.282 536 V C -0.007 176.083 176.094 -0.007 0.000 1.048 536 V CA -0.076 62.225 62.300 0.003 0.000 0.997 536 V CB 1.219 33.041 31.823 -0.002 0.000 0.987 536 V HN 0.203 nan 8.190 nan 0.000 0.477 537 K N 3.813 124.206 120.400 -0.011 0.000 2.443 537 K HA 0.551 4.874 4.320 0.005 0.000 0.251 537 K C -0.873 175.700 176.600 -0.045 0.000 0.972 537 K CA -0.890 55.373 56.287 -0.039 0.000 0.833 537 K CB 1.961 34.441 32.500 -0.033 0.000 1.317 537 K HN 0.573 nan 8.250 nan 0.000 0.441 538 N N 1.088 119.745 118.700 -0.071 0.000 2.265 538 N HA 0.352 5.096 4.740 0.005 0.000 0.300 538 N C -1.264 174.193 175.510 -0.088 0.000 1.148 538 N CA -0.677 52.334 53.050 -0.064 0.000 0.772 538 N CB 1.384 39.842 38.487 -0.049 0.000 1.434 538 N HN 0.160 nan 8.380 nan 0.000 0.481 539 L N 1.577 122.756 121.223 -0.073 0.000 2.349 539 L HA 0.261 4.604 4.340 0.005 0.000 0.275 539 L C 1.052 177.872 176.870 -0.084 0.000 1.115 539 L CA 0.147 54.936 54.840 -0.085 0.000 0.820 539 L CB 0.548 42.566 42.059 -0.067 0.000 1.135 539 L HN 0.475 nan 8.230 nan 0.000 0.445 540 S N 3.031 118.661 115.700 -0.116 0.000 2.596 540 S HA 0.181 4.655 4.470 0.005 0.000 0.260 540 S C 1.650 176.212 174.600 -0.063 0.000 1.336 540 S CA -0.597 57.534 58.200 -0.115 0.000 0.993 540 S CB 0.687 63.778 63.200 -0.182 0.000 0.923 540 S HN 0.504 nan 8.310 nan 0.000 0.567 541 L N 0.337 121.543 121.223 -0.028 0.000 2.191 541 L HA 0.022 4.365 4.340 0.005 0.000 0.212 541 L C 1.402 178.334 176.870 0.105 0.000 1.103 541 L CA 1.255 56.151 54.840 0.093 0.000 0.769 541 L CB -0.176 41.972 42.059 0.150 0.000 0.908 541 L HN 0.589 nan 8.230 nan 0.000 0.438 542 M N -0.984 118.544 119.600 -0.119 0.000 2.876 542 M HA 0.170 4.653 4.480 0.005 0.000 0.367 542 M C -0.233 175.866 176.300 -0.334 0.000 1.242 542 M CA -0.163 54.920 55.300 -0.361 0.000 0.889 542 M CB 0.733 32.905 32.600 -0.713 0.000 1.353 542 M HN 0.030 nan 8.290 nan 0.000 0.511 543 S N -0.780 114.799 115.700 -0.203 0.000 2.718 543 S HA 0.731 5.204 4.470 0.005 0.000 0.300 543 S C -0.411 173.978 174.600 -0.351 0.000 1.117 543 S CA -0.809 57.221 58.200 -0.282 0.000 1.002 543 S CB 2.543 65.609 63.200 -0.223 0.000 1.092 543 S HN 0.439 nan 8.310 nan 0.000 0.542 544 C N 0.277 119.177 119.300 -0.667 0.000 3.241 544 C HA 0.664 5.127 4.460 0.005 0.000 0.312 544 C C -1.398 173.195 174.990 -0.661 0.000 1.350 544 C CA -0.623 57.940 59.018 -0.758 0.000 1.415 544 C CB 1.200 28.333 27.740 -1.011 0.000 1.770 544 C HN 0.870 nan 8.230 nan 0.000 0.466 545 I N 2.288 122.731 120.570 -0.212 0.000 2.382 545 I HA 0.261 4.434 4.170 0.005 0.000 0.286 545 I C 0.468 176.704 176.117 0.197 0.000 1.002 545 I CA 0.354 61.680 61.300 0.042 0.000 1.135 545 I CB 1.760 39.761 38.000 0.001 0.000 1.288 545 I HN 0.696 nan 8.210 nan 0.000 0.448 546 S N 5.239 121.108 115.700 0.281 0.000 2.714 546 S HA -0.004 4.470 4.470 0.005 0.000 0.318 546 S C 1.198 175.824 174.600 0.044 0.000 1.219 546 S CA -0.432 57.838 58.200 0.117 0.000 1.175 546 S CB 0.544 63.749 63.200 0.008 0.000 0.961 546 S HN 0.526 nan 8.310 nan 0.000 0.518 547 V N 4.034 123.963 119.914 0.026 0.000 2.626 547 V HA 0.189 4.313 4.120 0.005 0.000 0.252 547 V C 1.433 177.510 176.094 -0.029 0.000 1.067 547 V CA 1.750 64.053 62.300 0.004 0.000 1.081 547 V CB -1.207 30.617 31.823 0.002 0.000 0.686 547 V HN 1.602 nan 8.190 nan 0.000 0.468 548 G N -0.170 108.598 108.800 -0.052 0.000 3.439 548 G HA2 -0.108 3.855 3.960 0.005 0.000 0.686 548 G HA3 -0.108 3.855 3.960 0.005 0.000 0.686 548 G C -0.304 174.528 174.900 -0.114 0.000 1.075 548 G CA -0.154 44.904 45.100 -0.070 0.000 0.926 548 G HN 0.413 nan 8.290 nan 0.000 0.485 549 T N 0.670 115.159 114.554 -0.108 0.000 2.909 549 T HA 0.725 5.078 4.350 0.005 0.000 0.251 549 T C -0.415 174.217 174.700 -0.112 0.000 1.119 549 T CA 0.343 62.359 62.100 -0.140 0.000 1.009 549 T CB 0.952 69.749 68.868 -0.118 0.000 2.376 549 T HN 0.704 nan 8.240 nan 0.000 0.526 550 D N 0.965 121.311 120.400 -0.091 0.000 2.736 550 D HA 0.403 5.046 4.640 0.005 0.000 0.243 550 D C -1.698 174.577 176.300 -0.042 0.000 1.304 550 D CA -1.912 52.050 54.000 -0.063 0.000 0.934 550 D CB 1.622 42.383 40.800 -0.065 0.000 1.382 550 D HN 0.024 nan 8.370 nan 0.000 0.571 551 P HA -0.171 nan 4.420 nan 0.000 0.216 551 P C 1.716 178.999 177.300 -0.028 0.000 1.153 551 P CA 0.612 63.698 63.100 -0.022 0.000 0.848 551 P CB 0.208 31.910 31.700 0.003 0.000 0.787 552 M N 0.853 120.445 119.600 -0.013 0.000 2.270 552 M HA -0.173 4.310 4.480 0.005 0.000 0.254 552 M C -1.030 175.271 176.300 0.001 0.000 1.072 552 M CA 2.855 58.154 55.300 -0.002 0.000 1.077 552 M CB -2.008 30.598 32.600 0.009 0.000 1.288 552 M HN -0.047 nan 8.290 nan 0.000 0.424 553 P HA -0.040 nan 4.420 nan 0.000 0.237 553 P C 1.188 178.507 177.300 0.032 0.000 1.178 553 P CA 0.881 63.994 63.100 0.022 0.000 0.766 553 P CB -0.236 31.470 31.700 0.009 0.000 0.876 554 I N -0.878 119.685 120.570 -0.011 0.000 2.339 554 I HA -0.111 4.062 4.170 0.005 0.000 0.245 554 I C 2.110 178.232 176.117 0.008 0.000 1.096 554 I CA 0.943 62.229 61.300 -0.023 0.000 1.408 554 I CB -1.078 36.871 38.000 -0.084 0.000 1.092 554 I HN -0.087 nan 8.210 nan 0.000 0.423 555 I N 1.279 121.805 120.570 -0.073 0.000 2.118 555 I HA -0.300 3.873 4.170 0.005 0.000 0.241 555 I C 2.625 178.732 176.117 -0.016 0.000 1.070 555 I CA 1.736 62.955 61.300 -0.134 0.000 1.327 555 I CB -2.061 35.835 38.000 -0.173 0.000 1.034 555 I HN 0.204 nan 8.210 nan 0.000 0.405 556 T N 1.249 115.819 114.554 0.027 0.000 2.665 556 T HA -0.258 4.095 4.350 0.005 0.000 0.268 556 T C 1.805 176.558 174.700 0.088 0.000 1.035 556 T CA 1.849 63.981 62.100 0.053 0.000 1.151 556 T CB -0.668 68.235 68.868 0.059 0.000 0.862 556 T HN 0.330 nan 8.240 nan 0.000 0.438 557 F N 1.306 121.254 119.950 -0.003 0.000 2.134 557 F HA -0.019 4.511 4.527 0.005 0.000 0.299 557 F C 1.916 177.755 175.800 0.065 0.000 1.097 557 F CA 1.032 59.052 58.000 0.033 0.000 1.264 557 F CB -0.353 38.621 39.000 -0.044 0.000 1.001 557 F HN 0.040 nan 8.300 nan 0.000 0.479 558 L N 0.180 121.532 121.223 0.214 0.000 1.955 558 L HA -0.255 4.088 4.340 0.005 0.000 0.213 558 L C 2.259 179.127 176.870 -0.004 0.000 1.072 558 L CA 1.714 56.612 54.840 0.098 0.000 0.755 558 L CB -1.071 41.016 42.059 0.046 0.000 0.888 558 L HN 0.221 nan 8.230 nan 0.000 0.432 559 S N -1.064 114.633 115.700 -0.006 0.000 3.048 559 S HA 0.014 4.487 4.470 0.005 0.000 0.254 559 S C 0.819 175.390 174.600 -0.048 0.000 1.084 559 S CA 0.256 58.446 58.200 -0.017 0.000 1.195 559 S CB -0.330 62.869 63.200 -0.001 0.000 0.870 559 S HN 0.465 nan 8.310 nan 0.000 0.483 560 E N -1.013 119.133 120.200 -0.090 0.000 2.603 560 E HA 0.136 4.490 4.350 0.005 0.000 0.218 560 E C -0.863 175.582 176.600 -0.259 0.000 0.878 560 E CA -0.143 56.164 56.400 -0.155 0.000 1.348 560 E CB 0.415 30.026 29.700 -0.147 0.000 1.318 560 E HN 0.667 nan 8.360 nan 0.000 0.673 561 W N 2.083 123.141 121.300 -0.402 0.000 1.967 561 W HA 0.404 5.067 4.660 0.006 0.000 0.296 561 W C 0.953 177.360 176.519 -0.186 0.000 0.817 561 W CA 0.489 57.631 57.345 -0.338 0.000 1.981 561 W CB 0.623 29.795 29.460 -0.480 0.000 2.207 561 W HN 0.254 nan 8.180 nan 0.000 0.374 562 G N 1.603 110.390 108.800 -0.020 0.000 2.543 562 G HA2 -0.364 3.600 3.960 0.005 0.000 0.286 562 G HA3 -0.364 3.600 3.960 0.005 0.000 0.286 562 G C 0.507 175.466 174.900 0.098 0.000 1.153 562 G CA 0.202 45.356 45.100 0.091 0.000 0.968 562 G HN 0.559 nan 8.290 nan 0.000 0.544 563 M N 1.055 120.808 119.600 0.255 0.000 3.988 563 M HA -0.127 4.356 4.480 0.005 0.000 0.157 563 M C 0.044 176.390 176.300 0.076 0.000 1.524 563 M CA 1.402 56.797 55.300 0.157 0.000 1.079 563 M CB -1.196 31.396 32.600 -0.012 0.000 1.342 563 M HN 0.742 nan 8.290 nan 0.000 0.256 564 E N 6.171 126.409 120.200 0.063 0.000 2.354 564 E HA 0.391 4.744 4.350 0.005 0.000 0.269 564 E C -1.929 174.653 176.600 -0.030 0.000 1.036 564 E CA -1.302 55.102 56.400 0.007 0.000 0.876 564 E CB 0.665 30.367 29.700 0.003 0.000 1.009 564 E HN 0.435 nan 8.360 nan 0.000 0.416 565 P HA -0.068 nan 4.420 nan 0.000 0.274 565 P C 0.444 177.660 177.300 -0.140 0.000 1.260 565 P CA -0.321 62.743 63.100 -0.061 0.000 0.793 565 P CB 0.757 32.428 31.700 -0.048 0.000 1.048 566 L N 0.787 121.890 121.223 -0.200 0.000 2.072 566 L HA -0.136 4.207 4.340 0.005 0.000 0.205 566 L C 2.290 179.013 176.870 -0.244 0.000 1.079 566 L CA 1.935 56.557 54.840 -0.364 0.000 0.752 566 L CB -1.471 40.339 42.059 -0.416 0.000 0.906 566 L HN 0.406 nan 8.230 nan 0.000 0.436 567 E N -1.388 118.749 120.200 -0.105 0.000 2.158 567 E HA -0.207 4.146 4.350 0.005 0.000 0.191 567 E C 1.276 177.896 176.600 0.033 0.000 0.982 567 E CA 1.285 57.690 56.400 0.008 0.000 0.823 567 E CB -0.672 29.015 29.700 -0.021 0.000 0.766 567 E HN 0.444 nan 8.360 nan 0.000 0.468 568 D N 0.058 120.457 120.400 -0.002 0.000 2.371 568 D HA -0.068 4.575 4.640 0.005 0.000 0.221 568 D C -0.232 176.101 176.300 0.055 0.000 0.986 568 D CA 0.339 54.351 54.000 0.021 0.000 0.899 568 D CB -0.300 40.502 40.800 0.004 0.000 0.902 568 D HN 0.182 nan 8.370 nan 0.000 0.530 569 Y N 0.886 121.102 120.300 -0.140 0.000 2.359 569 Y HA 0.359 4.913 4.550 0.005 0.000 0.334 569 Y C -0.742 175.112 175.900 -0.077 0.000 1.058 569 Y CA -1.115 56.870 58.100 -0.191 0.000 1.244 569 Y CB 0.561 38.762 38.460 -0.432 0.000 1.187 569 Y HN -0.337 nan 8.280 nan 0.000 0.510 570 V N 9.838 129.571 119.914 -0.300 0.000 2.384 570 V HA 0.265 4.388 4.120 0.005 0.000 0.287 570 V C -1.888 173.921 176.094 -0.476 0.000 1.020 570 V CA -1.638 60.480 62.300 -0.304 0.000 0.850 570 V CB 1.529 33.337 31.823 -0.024 0.000 0.987 570 V HN 0.706 nan 8.190 nan 0.000 0.436 571 P HA -0.136 nan 4.420 nan 0.000 0.217 571 P C 1.357 178.751 177.300 0.155 0.000 1.151 571 P CA 1.249 64.291 63.100 -0.096 0.000 0.828 571 P CB 0.049 31.875 31.700 0.210 0.000 0.788 572 H N 0.224 119.325 119.070 0.052 0.000 2.525 572 H HA 0.052 4.611 4.556 0.005 0.000 0.275 572 H C 1.348 176.719 175.328 0.071 0.000 0.984 572 H CA 0.870 56.967 56.048 0.081 0.000 1.264 572 H CB -0.422 29.381 29.762 0.069 0.000 1.432 572 H HN 0.264 nan 8.280 nan 0.000 0.549 573 Q N 1.389 120.876 119.800 -0.522 0.000 2.319 573 Q HA 0.123 4.467 4.340 0.005 0.000 0.202 573 Q C -0.170 175.758 176.000 -0.120 0.000 0.896 573 Q CA 0.314 55.882 55.803 -0.393 0.000 0.942 573 Q CB 0.494 28.963 28.738 -0.448 0.000 1.083 573 Q HN 0.347 nan 8.270 nan 0.000 0.510 574 S N -0.315 115.370 115.700 -0.024 0.000 2.689 574 S HA 0.261 4.734 4.470 0.005 0.000 0.151 574 S C -2.625 172.035 174.600 0.101 0.000 1.155 574 S CA -0.879 57.342 58.200 0.035 0.000 1.144 574 S CB 1.151 64.370 63.200 0.032 0.000 1.526 574 S HN 0.069 nan 8.310 nan 0.000 0.419 575 P HA 0.210 nan 4.420 nan 0.000 0.249 575 P C 0.017 177.368 177.300 0.084 0.000 1.241 575 P CA 0.293 63.473 63.100 0.135 0.000 0.781 575 P CB 0.071 31.860 31.700 0.148 0.000 1.088 576 D N 0.160 120.590 120.400 0.049 0.000 2.348 576 D HA 0.058 4.701 4.640 0.005 0.000 0.211 576 D C 0.880 177.175 176.300 -0.007 0.000 0.998 576 D CA 0.163 54.173 54.000 0.017 0.000 0.873 576 D CB 0.186 40.987 40.800 0.001 0.000 0.925 576 D HN 0.123 nan 8.370 nan 0.000 0.524 577 A N 1.394 124.212 122.820 -0.003 0.000 2.522 577 A HA 0.161 4.484 4.320 0.005 0.000 0.256 577 A C 0.612 178.163 177.584 -0.054 0.000 1.086 577 A CA 0.284 52.294 52.037 -0.046 0.000 0.763 577 A CB -0.009 18.956 19.000 -0.059 0.000 1.024 577 A HN -0.085 nan 8.150 nan 0.000 0.502 578 T N 3.763 118.288 114.554 -0.048 0.000 2.907 578 T HA 0.312 4.666 4.350 0.005 0.000 0.298 578 T C 0.667 175.349 174.700 -0.031 0.000 1.017 578 T CA 0.014 62.089 62.100 -0.040 0.000 1.118 578 T CB 0.306 69.165 68.868 -0.014 0.000 0.948 578 T HN 0.687 nan 8.240 nan 0.000 0.531 579 R N 1.307 121.768 120.500 -0.065 0.000 2.500 579 R HA 0.659 5.002 4.340 0.005 0.000 0.277 579 R C -0.901 175.427 176.300 0.046 0.000 1.026 579 R CA -0.815 55.286 56.100 0.001 0.000 1.058 579 R CB 0.975 31.177 30.300 -0.164 0.000 1.078 579 R HN 0.315 nan 8.270 nan 0.000 0.509 580 V N 2.748 122.802 119.914 0.234 0.000 2.540 580 V HA 0.472 4.595 4.120 0.005 0.000 0.302 580 V C -0.979 175.391 176.094 0.459 0.000 1.035 580 V CA -0.653 61.792 62.300 0.242 0.000 0.873 580 V CB 1.382 33.306 31.823 0.169 0.000 0.992 580 V HN 0.477 nan 8.190 nan 0.000 0.428 581 F N 2.854 122.747 119.950 -0.095 0.000 2.540 581 F HA 0.719 5.249 4.527 0.005 0.000 0.317 581 F C -0.137 175.624 175.800 -0.065 0.000 1.104 581 F CA -1.184 56.763 58.000 -0.088 0.000 0.913 581 F CB 2.180 41.046 39.000 -0.223 0.000 1.170 581 F HN 0.206 nan 8.300 nan 0.000 0.450 582 V N 3.915 123.941 119.914 0.188 0.000 2.525 582 V HA 0.317 4.440 4.120 0.005 0.000 0.299 582 V C -0.890 175.316 176.094 0.187 0.000 1.034 582 V CA -1.127 61.248 62.300 0.125 0.000 0.863 582 V CB 1.394 33.249 31.823 0.053 0.000 0.999 582 V HN 0.799 nan 8.190 nan 0.000 0.423 583 N N 4.625 123.495 118.700 0.284 0.000 2.698 583 N HA -0.200 4.544 4.740 0.005 0.000 0.258 583 N C 0.996 176.679 175.510 0.289 0.000 0.978 583 N CA 1.346 54.635 53.050 0.399 0.000 0.777 583 N CB -0.956 37.664 38.487 0.222 0.000 0.907 583 N HN 1.537 nan 8.380 nan 0.000 0.543 584 G N -2.265 106.729 108.800 0.323 0.000 2.283 584 G HA2 -0.263 3.700 3.960 0.005 0.000 0.280 584 G HA3 -0.263 3.700 3.960 0.005 0.000 0.280 584 G C -0.100 174.762 174.900 -0.063 0.000 1.029 584 G CA 0.375 45.589 45.100 0.190 0.000 0.840 584 G HN 0.560 nan 8.290 nan 0.000 0.505 585 V N 0.722 120.537 119.914 -0.165 0.000 2.378 585 V HA 0.459 4.582 4.120 0.005 0.000 0.288 585 V C 0.278 176.095 176.094 -0.462 0.000 1.016 585 V CA -1.291 60.775 62.300 -0.389 0.000 0.840 585 V CB 1.350 33.037 31.823 -0.226 0.000 0.994 585 V HN 0.359 nan 8.190 nan 0.000 0.431 586 W N 5.108 125.872 121.300 -0.894 0.000 2.308 586 W HA 0.249 4.912 4.660 0.005 0.000 0.324 586 W C 0.792 177.016 176.519 -0.492 0.000 1.387 586 W CA -0.010 56.904 57.345 -0.717 0.000 1.250 586 W CB 0.178 29.302 29.460 -0.560 0.000 1.257 586 W HN 0.644 nan 8.180 nan 0.000 0.554 587 H N 3.814 122.984 119.070 0.165 0.000 2.674 587 H HA 0.274 4.833 4.556 0.005 0.000 0.274 587 H C 1.050 176.348 175.328 -0.051 0.000 1.121 587 H CA 0.773 56.828 56.048 0.011 0.000 1.132 587 H CB 0.414 30.192 29.762 0.026 0.000 1.606 587 H HN 0.620 nan 8.280 nan 0.000 0.558 588 G N 0.736 109.493 108.800 -0.072 0.000 2.483 588 G HA2 -0.146 3.817 3.960 0.005 0.000 0.521 588 G HA3 -0.146 3.817 3.960 0.005 0.000 0.521 588 G C -0.605 174.298 174.900 0.005 0.000 1.278 588 G CA -0.401 44.565 45.100 -0.225 0.000 0.965 588 G HN 0.339 nan 8.290 nan 0.000 0.504 589 V N -2.972 116.839 119.914 -0.172 0.000 3.103 589 V HA 0.976 5.099 4.120 0.005 0.000 0.318 589 V C -0.194 175.916 176.094 0.026 0.000 1.114 589 V CA -0.253 61.976 62.300 -0.119 0.000 1.020 589 V CB 1.981 33.535 31.823 -0.448 0.000 1.085 589 V HN 1.997 nan 8.190 nan 0.000 0.446 590 H N 1.108 120.141 119.070 -0.063 0.000 2.947 590 H HA 0.642 5.202 4.556 0.006 0.000 0.354 590 H C -0.585 174.731 175.328 -0.021 0.000 1.085 590 H CA -0.589 55.444 56.048 -0.025 0.000 1.253 590 H CB 1.665 31.432 29.762 0.008 0.000 1.757 590 H HN 1.021 nan 8.280 nan 0.000 0.523 591 R N 3.589 123.734 120.500 -0.592 0.000 2.407 591 R HA 0.417 4.761 4.340 0.005 0.000 0.303 591 R C -0.644 175.299 176.300 -0.595 0.000 0.981 591 R CA -0.751 55.093 56.100 -0.427 0.000 0.905 591 R CB 0.700 30.864 30.300 -0.227 0.000 1.099 591 R HN 0.796 nan 8.270 nan 0.000 0.459 592 N N 1.828 120.371 118.700 -0.262 0.000 2.791 592 N HA -0.072 4.671 4.740 0.005 0.000 0.250 592 N C -1.960 173.577 175.510 0.045 0.000 1.082 592 N CA 0.437 53.424 53.050 -0.105 0.000 0.680 592 N CB -0.340 38.108 38.487 -0.064 0.000 0.918 592 N HN 0.700 nan 8.380 nan 0.000 0.555 593 P HA 0.044 nan 4.420 nan 0.000 0.242 593 P C 1.133 178.512 177.300 0.133 0.000 1.197 593 P CA 0.979 64.228 63.100 0.248 0.000 0.765 593 P CB -0.021 31.770 31.700 0.153 0.000 0.936 594 A N 1.422 124.299 122.820 0.095 0.000 1.841 594 A HA -0.152 4.171 4.320 0.005 0.000 0.214 594 A C 2.430 180.063 177.584 0.082 0.000 1.195 594 A CA 1.230 53.306 52.037 0.066 0.000 0.611 594 A CB -1.043 17.986 19.000 0.048 0.000 0.835 594 A HN 0.063 nan 8.150 nan 0.000 0.443 595 R N -1.168 119.404 120.500 0.121 0.000 2.115 595 R HA -0.058 4.286 4.340 0.005 0.000 0.230 595 R C 2.107 178.497 176.300 0.150 0.000 1.111 595 R CA 1.227 57.413 56.100 0.144 0.000 0.976 595 R CB -0.445 29.965 30.300 0.183 0.000 0.870 595 R HN 0.517 nan 8.270 nan 0.000 0.445 596 L N 0.260 121.586 121.223 0.172 0.000 2.005 596 L HA -0.141 4.202 4.340 0.005 0.000 0.207 596 L C 2.235 179.099 176.870 -0.011 0.000 1.072 596 L CA 1.702 56.583 54.840 0.070 0.000 0.744 596 L CB -0.315 41.721 42.059 -0.038 0.000 0.895 596 L HN 0.082 nan 8.230 nan 0.000 0.433 597 M N -0.314 119.290 119.600 0.007 0.000 2.159 597 M HA -0.193 4.290 4.480 0.005 0.000 0.263 597 M C 2.184 178.456 176.300 -0.046 0.000 1.063 597 M CA 1.741 57.024 55.300 -0.028 0.000 1.110 597 M CB -0.589 32.007 32.600 -0.008 0.000 1.374 597 M HN 0.487 nan 8.290 nan 0.000 0.411 598 E N -1.342 118.845 120.200 -0.022 0.000 2.051 598 E HA -0.179 4.174 4.350 0.005 0.000 0.192 598 E C 1.444 178.001 176.600 -0.071 0.000 0.991 598 E CA 1.879 58.262 56.400 -0.028 0.000 0.799 598 E CB -0.031 29.673 29.700 0.007 0.000 0.748 598 E HN 0.546 nan 8.360 nan 0.000 0.449 599 T N 1.750 116.239 114.554 -0.108 0.000 2.857 599 T HA -0.049 4.304 4.350 0.005 0.000 0.266 599 T C 2.001 176.537 174.700 -0.272 0.000 1.048 599 T CA 0.607 62.582 62.100 -0.208 0.000 1.139 599 T CB -0.141 68.493 68.868 -0.389 0.000 0.874 599 T HN 0.122 nan 8.240 nan 0.000 0.455 600 L N 0.613 121.678 121.223 -0.264 0.000 1.971 600 L HA -0.187 4.157 4.340 0.005 0.000 0.215 600 L C 3.028 179.766 176.870 -0.219 0.000 1.072 600 L CA 1.692 56.356 54.840 -0.294 0.000 0.758 600 L CB -0.541 41.385 42.059 -0.221 0.000 0.889 600 L HN 0.190 nan 8.230 nan 0.000 0.433 601 R N -0.592 119.822 120.500 -0.144 0.000 2.112 601 R HA -0.191 4.153 4.340 0.005 0.000 0.242 601 R C 2.230 178.462 176.300 -0.113 0.000 1.137 601 R CA 2.319 58.356 56.100 -0.104 0.000 0.944 601 R CB -0.778 29.483 30.300 -0.065 0.000 0.857 601 R HN 0.431 nan 8.270 nan 0.000 0.435 602 T N 1.753 116.238 114.554 -0.116 0.000 2.699 602 T HA -0.168 4.185 4.350 0.005 0.000 0.268 602 T C 1.875 176.500 174.700 -0.124 0.000 1.036 602 T CA 1.172 63.209 62.100 -0.105 0.000 1.147 602 T CB -0.210 68.605 68.868 -0.090 0.000 0.862 602 T HN 0.162 nan 8.240 nan 0.000 0.446 603 L N 0.348 121.465 121.223 -0.177 0.000 2.046 603 L HA -0.100 4.243 4.340 0.005 0.000 0.208 603 L C 3.048 179.820 176.870 -0.163 0.000 1.077 603 L CA 1.372 56.094 54.840 -0.197 0.000 0.747 603 L CB -0.510 41.355 42.059 -0.323 0.000 0.896 603 L HN 0.195 nan 8.230 nan 0.000 0.432 604 R N 0.560 120.964 120.500 -0.160 0.000 2.105 604 R HA -0.175 4.168 4.340 0.005 0.000 0.239 604 R C 2.155 178.394 176.300 -0.103 0.000 1.135 604 R CA 1.446 57.473 56.100 -0.123 0.000 0.967 604 R CB -0.027 30.209 30.300 -0.106 0.000 0.861 604 R HN 0.281 nan 8.270 nan 0.000 0.442 605 R N -0.401 120.038 120.500 -0.102 0.000 2.299 605 R HA 0.054 4.397 4.340 0.005 0.000 0.197 605 R C 1.789 178.032 176.300 -0.094 0.000 0.971 605 R CA 0.573 56.613 56.100 -0.100 0.000 1.030 605 R CB 0.233 30.478 30.300 -0.092 0.000 0.932 605 R HN 0.077 nan 8.270 nan 0.000 0.477 606 K N -1.269 119.079 120.400 -0.086 0.000 2.334 606 K HA 0.137 4.460 4.320 0.005 0.000 0.195 606 K C 0.832 177.392 176.600 -0.066 0.000 1.045 606 K CA 0.763 57.009 56.287 -0.069 0.000 1.004 606 K CB 0.914 33.379 32.500 -0.059 0.000 0.837 606 K HN 0.313 nan 8.250 nan 0.000 0.510 607 G N 1.342 110.098 108.800 -0.074 0.000 2.238 607 G HA2 -0.196 3.768 3.960 0.005 0.000 0.217 607 G HA3 -0.196 3.768 3.960 0.005 0.000 0.217 607 G C 0.422 175.286 174.900 -0.060 0.000 0.996 607 G CA 0.206 45.270 45.100 -0.059 0.000 0.632 607 G HN 0.230 nan 8.290 nan 0.000 0.503 608 D N 0.634 120.990 120.400 -0.073 0.000 2.390 608 D HA 0.182 4.826 4.640 0.005 0.000 0.235 608 D C 0.846 177.075 176.300 -0.119 0.000 1.040 608 D CA 0.810 54.762 54.000 -0.081 0.000 0.923 608 D CB 0.098 40.853 40.800 -0.076 0.000 0.886 608 D HN 0.544 nan 8.370 nan 0.000 0.532 609 I N 0.754 121.249 120.570 -0.125 0.000 2.548 609 I HA 0.038 4.211 4.170 0.005 0.000 0.287 609 I C 0.019 176.081 176.117 -0.092 0.000 1.103 609 I CA -0.953 60.266 61.300 -0.135 0.000 1.049 609 I CB 1.923 39.808 38.000 -0.192 0.000 1.232 609 I HN -0.284 nan 8.210 nan 0.000 0.429 610 N N 8.119 126.777 118.700 -0.071 0.000 2.223 610 N HA -0.043 4.700 4.740 0.005 0.000 0.271 610 N C -1.773 173.722 175.510 -0.025 0.000 1.315 610 N CA -0.491 52.535 53.050 -0.039 0.000 0.835 610 N CB 1.142 39.602 38.487 -0.045 0.000 1.066 610 N HN 0.307 nan 8.380 nan 0.000 0.486 611 P HA -0.107 nan 4.420 nan 0.000 0.223 611 P C 0.865 178.227 177.300 0.104 0.000 1.144 611 P CA 0.882 64.027 63.100 0.074 0.000 0.783 611 P CB 0.218 31.999 31.700 0.135 0.000 0.771 612 E N -0.116 120.086 120.200 0.003 0.000 2.285 612 E HA -0.038 4.315 4.350 0.005 0.000 0.194 612 E C 0.329 176.780 176.600 -0.249 0.000 0.997 612 E CA 0.161 56.421 56.400 -0.233 0.000 0.845 612 E CB 0.053 29.646 29.700 -0.178 0.000 0.782 612 E HN -0.015 nan 8.360 nan 0.000 0.491 613 V N 1.614 121.455 119.914 -0.122 0.000 2.963 613 V HA -0.010 4.113 4.120 0.005 0.000 0.306 613 V C 0.301 176.356 176.094 -0.065 0.000 1.077 613 V CA 0.425 62.676 62.300 -0.082 0.000 1.124 613 V CB 1.404 33.186 31.823 -0.070 0.000 0.987 613 V HN 0.330 nan 8.190 nan 0.000 0.487 614 S N 5.378 121.070 115.700 -0.014 0.000 2.542 614 S HA 0.809 5.283 4.470 0.005 0.000 0.293 614 S C -0.969 173.625 174.600 -0.010 0.000 1.089 614 S CA -0.918 57.286 58.200 0.007 0.000 0.961 614 S CB 1.746 64.981 63.200 0.058 0.000 1.062 614 S HN 0.538 nan 8.310 nan 0.000 0.483 615 M N 2.898 122.479 119.600 -0.033 0.000 2.093 615 M HA 0.431 4.915 4.480 0.005 0.000 0.297 615 M C -1.711 174.548 176.300 -0.068 0.000 0.938 615 M CA -0.408 54.847 55.300 -0.074 0.000 0.920 615 M CB 1.518 34.069 32.600 -0.081 0.000 1.517 615 M HN 0.559 nan 8.290 nan 0.000 0.427 616 I N 3.616 124.120 120.570 -0.110 0.000 2.328 616 I HA 0.395 4.568 4.170 0.005 0.000 0.287 616 I C 0.087 176.137 176.117 -0.111 0.000 1.012 616 I CA -0.155 61.086 61.300 -0.099 0.000 1.195 616 I CB 0.950 38.873 38.000 -0.129 0.000 1.350 616 I HN 0.560 nan 8.210 nan 0.000 0.464 617 R N 4.759 125.216 120.500 -0.071 0.000 2.407 617 R HA 0.357 4.700 4.340 0.005 0.000 0.303 617 R C -1.112 175.149 176.300 -0.065 0.000 0.981 617 R CA -0.411 55.648 56.100 -0.068 0.000 0.905 617 R CB 1.177 31.454 30.300 -0.039 0.000 1.099 617 R HN 0.557 nan 8.270 nan 0.000 0.459 618 D N 6.033 126.386 120.400 -0.079 0.000 2.389 618 D HA 0.118 4.761 4.640 0.005 0.000 0.256 618 D C 1.445 177.711 176.300 -0.057 0.000 1.239 618 D CA -0.396 53.560 54.000 -0.072 0.000 0.925 618 D CB 0.978 41.716 40.800 -0.104 0.000 1.145 618 D HN 0.435 nan 8.370 nan 0.000 0.542 619 I N 2.665 123.213 120.570 -0.036 0.000 2.163 619 I HA -0.268 3.905 4.170 0.005 0.000 0.243 619 I C 2.239 178.341 176.117 -0.025 0.000 1.085 619 I CA 1.266 62.551 61.300 -0.025 0.000 1.347 619 I CB -0.360 37.630 38.000 -0.015 0.000 1.044 619 I HN 0.350 nan 8.210 nan 0.000 0.408 620 R N 0.484 120.969 120.500 -0.026 0.000 2.073 620 R HA -0.131 4.212 4.340 0.005 0.000 0.229 620 R C 1.311 177.597 176.300 -0.024 0.000 1.120 620 R CA 0.893 56.981 56.100 -0.021 0.000 0.967 620 R CB -0.199 30.090 30.300 -0.019 0.000 0.862 620 R HN 0.138 nan 8.270 nan 0.000 0.436 621 E N 0.960 121.136 120.200 -0.040 0.000 2.499 621 E HA 0.091 4.444 4.350 0.005 0.000 0.207 621 E C -0.967 175.595 176.600 -0.064 0.000 1.034 621 E CA -0.157 56.217 56.400 -0.045 0.000 1.098 621 E CB -0.143 29.523 29.700 -0.056 0.000 1.148 621 E HN 0.040 nan 8.360 nan 0.000 0.447 622 K N 0.911 121.278 120.400 -0.054 0.000 4.166 622 K HA -0.277 4.046 4.320 0.005 0.000 0.276 622 K C -0.239 176.292 176.600 -0.116 0.000 0.808 622 K CA 0.785 57.035 56.287 -0.063 0.000 0.717 622 K CB -0.925 31.553 32.500 -0.037 0.000 1.774 622 K HN 0.274 nan 8.250 nan 0.000 0.427 623 E N 0.992 121.101 120.200 -0.151 0.000 2.372 623 E HA 0.481 4.834 4.350 0.005 0.000 0.279 623 E C -1.822 174.635 176.600 -0.239 0.000 0.946 623 E CA -0.951 55.289 56.400 -0.267 0.000 0.769 623 E CB 1.334 30.826 29.700 -0.346 0.000 1.230 623 E HN 0.127 nan 8.360 nan 0.000 0.442 624 L N 3.845 124.898 121.223 -0.283 0.000 2.595 624 L HA 0.441 4.784 4.340 0.005 0.000 0.259 624 L C -1.790 174.946 176.870 -0.223 0.000 1.033 624 L CA -0.350 54.372 54.840 -0.198 0.000 0.901 624 L CB 0.905 42.908 42.059 -0.093 0.000 1.151 624 L HN 0.523 nan 8.230 nan 0.000 0.453 625 K N 5.652 125.863 120.400 -0.316 0.000 2.293 625 K HA 0.628 4.951 4.320 0.005 0.000 0.267 625 K C -0.432 175.897 176.600 -0.452 0.000 1.010 625 K CA -0.546 55.510 56.287 -0.385 0.000 0.875 625 K CB 2.205 34.360 32.500 -0.575 0.000 1.106 625 K HN 0.353 nan 8.250 nan 0.000 0.450 626 I N 3.845 124.215 120.570 -0.332 0.000 2.385 626 I HA 0.349 4.522 4.170 0.005 0.000 0.294 626 I C -0.186 175.791 176.117 -0.233 0.000 0.988 626 I CA -0.352 60.801 61.300 -0.246 0.000 1.265 626 I CB 0.445 38.372 38.000 -0.122 0.000 1.388 626 I HN 0.528 nan 8.210 nan 0.000 0.480 627 F N 3.325 123.261 119.950 -0.023 0.000 2.520 627 F HA 0.378 4.908 4.527 0.006 0.000 0.322 627 F C 0.364 176.137 175.800 -0.046 0.000 1.103 627 F CA -0.503 57.484 58.000 -0.023 0.000 0.926 627 F CB 2.362 41.351 39.000 -0.019 0.000 1.154 627 F HN 0.374 nan 8.300 nan 0.000 0.453 628 T N -0.188 114.483 114.554 0.195 0.000 3.541 628 T HA 0.058 4.411 4.350 0.005 0.000 0.309 628 T C -0.607 174.093 174.700 -0.001 0.000 0.973 628 T CA -0.498 61.632 62.100 0.049 0.000 0.993 628 T CB -0.317 68.561 68.868 0.018 0.000 1.206 628 T HN 0.389 nan 8.240 nan 0.000 0.489 629 D N 1.987 122.366 120.400 -0.034 0.000 2.363 629 D HA 0.525 5.169 4.640 0.005 0.000 0.240 629 D C 0.226 176.484 176.300 -0.070 0.000 1.236 629 D CA -0.013 53.936 54.000 -0.085 0.000 0.927 629 D CB 0.714 41.399 40.800 -0.191 0.000 1.150 629 D HN 0.401 nan 8.370 nan 0.000 0.458 630 A N 0.422 123.206 122.820 -0.061 0.000 2.274 630 A HA 0.588 4.912 4.320 0.005 0.000 0.309 630 A C 0.700 178.262 177.584 -0.036 0.000 1.226 630 A CA 0.103 52.117 52.037 -0.039 0.000 0.853 630 A CB 0.317 19.302 19.000 -0.025 0.000 1.146 630 A HN 0.945 nan 8.150 nan 0.000 0.518 631 G N 2.203 110.996 108.800 -0.012 0.000 2.255 631 G HA2 -0.176 3.787 3.960 0.005 0.000 0.239 631 G HA3 -0.176 3.787 3.960 0.005 0.000 0.239 631 G C -0.021 174.879 174.900 0.000 0.000 1.083 631 G CA -0.027 45.072 45.100 -0.002 0.000 0.826 631 G HN 0.890 nan 8.290 nan 0.000 0.493 632 R N -0.540 119.978 120.500 0.030 0.000 2.349 632 R HA 0.533 4.876 4.340 0.005 0.000 0.299 632 R C 0.449 176.866 176.300 0.194 0.000 1.027 632 R CA -0.655 55.484 56.100 0.065 0.000 0.958 632 R CB 1.701 32.020 30.300 0.032 0.000 1.047 632 R HN 0.110 nan 8.270 nan 0.000 0.468 633 V N 4.790 124.830 119.914 0.211 0.000 2.546 633 V HA 0.311 4.435 4.120 0.005 0.000 0.284 633 V C -0.550 175.703 176.094 0.265 0.000 1.050 633 V CA -0.320 62.102 62.300 0.203 0.000 0.981 633 V CB 0.438 32.404 31.823 0.238 0.000 0.990 633 V HN 0.736 nan 8.190 nan 0.000 0.474 634 Y N 3.623 123.925 120.300 0.003 0.000 2.571 634 Y HA 0.874 5.427 4.550 0.005 0.000 0.341 634 Y C -0.634 175.241 175.900 -0.042 0.000 1.076 634 Y CA -1.510 56.587 58.100 -0.004 0.000 1.029 634 Y CB 1.500 39.948 38.460 -0.019 0.000 1.308 634 Y HN 0.649 nan 8.280 nan 0.000 0.461 635 R N 1.872 122.405 120.500 0.054 0.000 2.892 635 R HA 0.700 5.044 4.340 0.005 0.000 0.265 635 R C -3.378 173.034 176.300 0.187 0.000 1.025 635 R CA -1.988 54.089 56.100 -0.039 0.000 0.982 635 R CB 2.192 32.413 30.300 -0.132 0.000 1.185 635 R HN 0.563 nan 8.270 nan 0.000 0.484 636 P HA 0.466 nan 4.420 nan 0.000 0.278 636 P C -0.907 176.378 177.300 -0.025 0.000 1.266 636 P CA -0.542 62.691 63.100 0.221 0.000 0.807 636 P CB 1.100 32.940 31.700 0.234 0.000 1.094 637 L N -3.610 117.565 121.223 -0.079 0.000 2.866 637 L HA 0.531 4.875 4.340 0.005 0.000 0.262 637 L C -0.722 176.030 176.870 -0.196 0.000 0.986 637 L CA -1.040 53.653 54.840 -0.245 0.000 0.925 637 L CB 0.288 42.285 42.059 -0.103 0.000 1.484 637 L HN 0.083 nan 8.230 nan 0.000 0.414 638 F N 1.226 121.183 119.950 0.012 0.000 2.506 638 F HA 0.499 5.029 4.527 0.005 0.000 0.351 638 F C 0.647 176.426 175.800 -0.035 0.000 1.136 638 F CA -0.157 57.814 58.000 -0.048 0.000 1.298 638 F CB 0.375 39.335 39.000 -0.067 0.000 1.145 638 F HN 0.270 nan 8.300 nan 0.000 0.593 639 I N 2.536 123.161 120.570 0.092 0.000 2.440 639 I HA 0.341 4.514 4.170 0.005 0.000 0.294 639 I C -0.613 175.458 176.117 -0.075 0.000 0.995 639 I CA -0.742 60.513 61.300 -0.075 0.000 1.306 639 I CB 1.372 39.299 38.000 -0.121 0.000 1.407 639 I HN 0.214 nan 8.210 nan 0.000 0.501 640 V N 4.807 124.640 119.914 -0.136 0.000 2.540 640 V HA 0.531 4.654 4.120 0.005 0.000 0.302 640 V C -0.466 175.573 176.094 -0.093 0.000 1.035 640 V CA -0.496 61.750 62.300 -0.090 0.000 0.873 640 V CB 1.796 33.591 31.823 -0.048 0.000 0.992 640 V HN 0.717 nan 8.190 nan 0.000 0.428 641 E N 1.943 122.098 120.200 -0.075 0.000 2.413 641 E HA 0.376 4.729 4.350 0.005 0.000 0.277 641 E C -1.220 175.349 176.600 -0.052 0.000 0.958 641 E CA -0.741 55.623 56.400 -0.060 0.000 0.779 641 E CB 1.922 31.584 29.700 -0.063 0.000 1.278 641 E HN 0.696 nan 8.360 nan 0.000 0.456 642 D N 1.482 121.864 120.400 -0.029 0.000 2.433 642 D HA 0.103 4.746 4.640 0.005 0.000 0.274 642 D C -1.119 175.175 176.300 -0.010 0.000 1.344 642 D CA 1.046 55.039 54.000 -0.011 0.000 0.989 642 D CB 0.235 41.041 40.800 0.011 0.000 1.116 642 D HN 0.261 nan 8.370 nan 0.000 0.533 643 D N 2.627 123.011 120.400 -0.026 0.000 2.457 643 D HA 0.447 5.090 4.640 0.005 0.000 0.240 643 D C 0.410 176.773 176.300 0.105 0.000 1.041 643 D CA -0.386 53.616 54.000 0.003 0.000 0.861 643 D CB 1.062 41.837 40.800 -0.042 0.000 1.394 643 D HN 0.361 nan 8.370 nan 0.000 0.473 644 E N 0.479 120.742 120.200 0.106 0.000 3.681 644 E HA -0.185 4.168 4.350 0.005 0.000 0.213 644 E C -0.586 176.071 176.600 0.094 0.000 1.115 644 E CA 1.273 57.752 56.400 0.133 0.000 2.194 644 E CB -1.546 28.309 29.700 0.259 0.000 1.744 644 E HN 0.326 nan 8.360 nan 0.000 0.420 645 S N -1.566 114.201 115.700 0.112 0.000 2.788 645 S HA 0.651 5.124 4.470 0.005 0.000 0.291 645 S C -0.548 174.099 174.600 0.078 0.000 1.061 645 S CA -0.092 58.145 58.200 0.060 0.000 0.923 645 S CB 0.682 63.890 63.200 0.014 0.000 1.339 645 S HN 0.347 nan 8.310 nan 0.000 0.591 646 L N 1.970 123.224 121.223 0.052 0.000 2.648 646 L HA 0.402 4.745 4.340 0.005 0.000 0.238 646 L C 0.901 177.812 176.870 0.068 0.000 1.316 646 L CA -0.197 54.675 54.840 0.054 0.000 1.241 646 L CB -0.725 41.354 42.059 0.032 0.000 1.499 646 L HN 0.784 nan 8.230 nan 0.000 0.411 647 G N -0.489 108.389 108.800 0.129 0.000 2.964 647 G HA2 0.049 4.013 3.960 0.005 0.000 0.191 647 G HA3 0.049 4.013 3.960 0.005 0.000 0.191 647 G C -0.334 174.664 174.900 0.163 0.000 1.978 647 G CA 0.038 45.245 45.100 0.178 0.000 0.861 647 G HN 0.607 nan 8.290 nan 0.000 0.584 648 H N -0.486 118.604 119.070 0.034 0.000 6.326 648 H HA -0.054 4.505 4.556 0.006 0.000 0.892 648 H C -1.121 174.230 175.328 0.038 0.000 1.978 648 H CA -0.312 55.758 56.048 0.037 0.000 1.396 648 H CB -0.881 28.895 29.762 0.024 0.000 4.708 648 H HN 0.281 nan 8.280 nan 0.000 0.697 649 K N 2.415 122.742 120.400 -0.122 0.000 2.156 649 K HA 0.595 4.918 4.320 0.005 0.000 0.250 649 K C -0.506 175.971 176.600 -0.206 0.000 0.955 649 K CA -0.483 55.738 56.287 -0.109 0.000 0.855 649 K CB 1.835 34.351 32.500 0.027 0.000 1.101 649 K HN 0.408 nan 8.250 nan 0.000 0.434 650 E N 0.780 120.881 120.200 -0.165 0.000 2.343 650 E HA 0.283 4.636 4.350 0.005 0.000 0.278 650 E C -1.327 175.201 176.600 -0.119 0.000 0.910 650 E CA -0.587 55.715 56.400 -0.162 0.000 0.757 650 E CB 1.100 30.686 29.700 -0.191 0.000 1.218 650 E HN 0.283 nan 8.360 nan 0.000 0.435 651 L N 4.476 125.624 121.223 -0.126 0.000 2.654 651 L HA -0.010 4.334 4.340 0.005 0.000 0.271 651 L C 1.322 178.119 176.870 -0.122 0.000 1.169 651 L CA 0.851 55.608 54.840 -0.138 0.000 0.947 651 L CB 0.179 42.124 42.059 -0.190 0.000 1.232 651 L HN 0.720 nan 8.230 nan 0.000 0.486 652 K N 2.249 122.584 120.400 -0.108 0.000 2.211 652 K HA -0.090 4.233 4.320 0.005 0.000 0.204 652 K C 0.642 177.174 176.600 -0.114 0.000 1.047 652 K CA 0.605 56.836 56.287 -0.094 0.000 0.935 652 K CB 0.033 32.477 32.500 -0.094 0.000 0.728 652 K HN 0.592 nan 8.250 nan 0.000 0.452 653 V N 1.668 121.477 119.914 -0.175 0.000 2.529 653 V HA 0.123 4.246 4.120 0.005 0.000 0.292 653 V C 0.297 176.375 176.094 -0.026 0.000 1.028 653 V CA -0.431 61.763 62.300 -0.177 0.000 1.074 653 V CB 0.551 32.209 31.823 -0.274 0.000 0.958 653 V HN 0.086 nan 8.190 nan 0.000 0.481 654 R N 3.164 123.796 120.500 0.219 0.000 2.856 654 R HA 0.463 4.806 4.340 0.005 0.000 0.258 654 R C 1.028 177.369 176.300 0.067 0.000 1.066 654 R CA -1.123 55.039 56.100 0.104 0.000 1.045 654 R CB 0.830 31.177 30.300 0.079 0.000 1.178 654 R HN 0.545 nan 8.270 nan 0.000 0.499 655 K N 1.089 121.491 120.400 0.004 0.000 2.218 655 K HA -0.106 4.217 4.320 0.005 0.000 0.205 655 K C 1.724 178.311 176.600 -0.022 0.000 1.046 655 K CA 1.865 58.149 56.287 -0.006 0.000 0.933 655 K CB -0.591 31.899 32.500 -0.015 0.000 0.728 655 K HN 0.824 nan 8.250 nan 0.000 0.454 656 G N 0.086 108.840 108.800 -0.077 0.000 2.408 656 G HA2 -0.214 3.750 3.960 0.005 0.000 0.217 656 G HA3 -0.214 3.750 3.960 0.005 0.000 0.217 656 G C 1.377 176.147 174.900 -0.217 0.000 1.150 656 G CA 0.464 45.464 45.100 -0.168 0.000 0.776 656 G HN 0.393 nan 8.290 nan 0.000 0.542 657 H N 0.099 119.123 119.070 -0.077 0.000 2.321 657 H HA -0.020 4.539 4.556 0.005 0.000 0.300 657 H C 2.681 177.996 175.328 -0.022 0.000 1.087 657 H CA 1.093 57.092 56.048 -0.081 0.000 1.319 657 H CB -0.142 29.623 29.762 0.005 0.000 1.379 657 H HN 0.234 nan 8.280 nan 0.000 0.501 658 I N 1.363 122.011 120.570 0.131 0.000 2.315 658 I HA -0.239 3.934 4.170 0.005 0.000 0.251 658 I C 2.673 178.839 176.117 0.082 0.000 1.125 658 I CA 1.108 62.474 61.300 0.111 0.000 1.392 658 I CB -0.607 37.440 38.000 0.079 0.000 1.065 658 I HN 0.189 nan 8.210 nan 0.000 0.424 659 A N -0.195 122.640 122.820 0.025 0.000 1.877 659 A HA -0.249 4.075 4.320 0.005 0.000 0.216 659 A C 2.358 179.959 177.584 0.027 0.000 1.186 659 A CA 1.792 53.836 52.037 0.013 0.000 0.620 659 A CB -0.537 18.446 19.000 -0.029 0.000 0.822 659 A HN 0.355 nan 8.150 nan 0.000 0.443 660 K N -0.518 119.860 120.400 -0.036 0.000 2.283 660 K HA 0.073 4.396 4.320 0.005 0.000 0.202 660 K C 1.743 178.413 176.600 0.117 0.000 1.048 660 K CA 0.770 57.026 56.287 -0.051 0.000 0.948 660 K CB -0.268 32.024 32.500 -0.347 0.000 0.742 660 K HN 0.475 nan 8.250 nan 0.000 0.458 661 L N -0.057 121.281 121.223 0.192 0.000 2.027 661 L HA -0.127 4.216 4.340 0.005 0.000 0.206 661 L C 2.393 179.395 176.870 0.220 0.000 1.074 661 L CA 1.213 56.216 54.840 0.272 0.000 0.745 661 L CB -0.205 42.018 42.059 0.275 0.000 0.898 661 L HN 0.190 nan 8.230 nan 0.000 0.433 662 M N -0.911 118.801 119.600 0.186 0.000 2.394 662 M HA -0.096 4.387 4.480 0.005 0.000 0.264 662 M C 2.279 178.721 176.300 0.237 0.000 1.073 662 M CA 1.232 56.645 55.300 0.188 0.000 1.111 662 M CB -0.152 32.531 32.600 0.138 0.000 1.401 662 M HN 0.299 nan 8.290 nan 0.000 0.448 663 A N -0.923 122.024 122.820 0.212 0.000 1.972 663 A HA -0.156 4.167 4.320 0.005 0.000 0.219 663 A C 2.164 179.871 177.584 0.205 0.000 1.169 663 A CA 2.164 54.357 52.037 0.260 0.000 0.635 663 A CB -0.948 18.146 19.000 0.156 0.000 0.810 663 A HN 0.400 nan 8.150 nan 0.000 0.446 664 T N -1.186 113.473 114.554 0.175 0.000 2.942 664 T HA -0.054 4.299 4.350 0.005 0.000 0.265 664 T C 1.856 176.631 174.700 0.125 0.000 1.062 664 T CA 1.360 63.540 62.100 0.134 0.000 1.139 664 T CB -0.098 68.872 68.868 0.169 0.000 0.883 664 T HN 0.706 nan 8.240 nan 0.000 0.468 665 E N 0.030 120.339 120.200 0.182 0.000 2.072 665 E HA -0.144 4.209 4.350 0.005 0.000 0.191 665 E C 1.838 178.552 176.600 0.189 0.000 0.985 665 E CA 1.112 57.624 56.400 0.187 0.000 0.801 665 E CB -0.182 29.645 29.700 0.212 0.000 0.750 665 E HN 0.804 nan 8.360 nan 0.000 0.452 666 Y N -0.059 120.286 120.300 0.076 0.000 2.544 666 Y HA 0.149 4.702 4.550 0.006 0.000 0.286 666 Y C 1.204 177.135 175.900 0.052 0.000 1.141 666 Y CA 0.087 58.222 58.100 0.059 0.000 1.299 666 Y CB 0.129 38.618 38.460 0.049 0.000 1.030 666 Y HN -0.103 nan 8.280 nan 0.000 0.543 667 Q N 2.080 121.682 119.800 -0.329 0.000 3.008 667 Q HA 0.259 4.602 4.340 0.005 0.000 0.307 667 Q C -1.554 174.387 176.000 -0.098 0.000 1.273 667 Q CA -0.035 55.581 55.803 -0.312 0.000 1.091 667 Q CB -0.038 28.513 28.738 -0.311 0.000 1.393 667 Q HN 0.618 nan 8.270 nan 0.000 0.521 679 Y N 1.612 121.945 120.300 0.055 0.000 2.400 679 Y HA 0.638 5.191 4.550 0.005 0.000 0.335 679 Y C -0.983 174.966 175.900 0.081 0.000 1.066 679 Y CA -0.059 58.078 58.100 0.061 0.000 1.285 679 Y CB 1.642 40.139 38.460 0.062 0.000 1.103 679 Y HN 0.087 nan 8.280 nan 0.000 0.490 680 T N 4.351 118.831 114.554 -0.123 0.000 2.888 680 T HA 0.099 4.453 4.350 0.005 0.000 0.288 680 T C 0.628 175.292 174.700 -0.060 0.000 1.063 680 T CA -0.324 61.774 62.100 -0.003 0.000 1.010 680 T CB 0.661 69.576 68.868 0.078 0.000 1.214 680 T HN 0.817 nan 8.240 nan 0.000 0.533 681 W N 1.631 122.885 121.300 -0.077 0.000 2.288 681 W HA -0.303 4.360 4.660 0.006 0.000 0.346 681 W C 1.958 178.409 176.519 -0.114 0.000 1.402 681 W CA 2.778 60.084 57.345 -0.064 0.000 1.311 681 W CB -1.096 28.357 29.460 -0.011 0.000 1.100 681 W HN 0.715 nan 8.180 nan 0.000 0.468 682 S N 0.701 116.457 115.700 0.093 0.000 2.409 682 S HA -0.273 4.201 4.470 0.005 0.000 0.237 682 S C 1.817 176.288 174.600 -0.215 0.000 1.060 682 S CA 2.227 60.414 58.200 -0.022 0.000 1.052 682 S CB -0.701 62.530 63.200 0.051 0.000 0.871 682 S HN 0.398 nan 8.310 nan 0.000 0.465 683 S N 1.631 117.148 115.700 -0.306 0.000 2.370 683 S HA -0.056 4.417 4.470 0.005 0.000 0.226 683 S C 1.782 176.124 174.600 -0.430 0.000 1.033 683 S CA 1.149 59.092 58.200 -0.428 0.000 1.011 683 S CB -0.488 62.212 63.200 -0.834 0.000 0.852 683 S HN 0.422 nan 8.310 nan 0.000 0.457 684 L N 0.430 121.340 121.223 -0.522 0.000 2.027 684 L HA -0.062 4.281 4.340 0.005 0.000 0.206 684 L C 2.368 178.978 176.870 -0.434 0.000 1.074 684 L CA 0.762 55.323 54.840 -0.466 0.000 0.745 684 L CB -0.639 41.058 42.059 -0.603 0.000 0.898 684 L HN 0.235 nan 8.230 nan 0.000 0.433 685 L N 0.198 121.104 121.223 -0.528 0.000 2.127 685 L HA -0.198 4.146 4.340 0.005 0.000 0.211 685 L C 1.922 178.652 176.870 -0.233 0.000 1.089 685 L CA 1.703 56.306 54.840 -0.396 0.000 0.757 685 L CB -0.643 41.222 42.059 -0.323 0.000 0.899 685 L HN 0.325 nan 8.230 nan 0.000 0.434 686 N N -1.379 117.202 118.700 -0.198 0.000 2.270 686 N HA -0.015 4.729 4.740 0.005 0.000 0.198 686 N C 1.076 176.523 175.510 -0.105 0.000 1.117 686 N CA 0.230 53.205 53.050 -0.125 0.000 0.845 686 N CB 0.657 39.088 38.487 -0.093 0.000 0.980 686 N HN 0.492 nan 8.380 nan 0.000 0.486 687 E N -0.427 119.695 120.200 -0.130 0.000 2.421 687 E HA 0.167 4.520 4.350 0.005 0.000 0.209 687 E C 0.304 176.845 176.600 -0.098 0.000 0.871 687 E CA 0.173 56.523 56.400 -0.082 0.000 1.064 687 E CB 0.664 30.335 29.700 -0.048 0.000 1.075 687 E HN 0.212 nan 8.360 nan 0.000 0.513 688 G N 1.313 110.026 108.800 -0.145 0.000 2.288 688 G HA2 -0.188 3.776 3.960 0.005 0.000 0.205 688 G HA3 -0.188 3.776 3.960 0.005 0.000 0.205 688 G C 0.436 175.247 174.900 -0.148 0.000 1.071 688 G CA 0.279 45.297 45.100 -0.136 0.000 0.788 688 G HN 0.208 nan 8.290 nan 0.000 0.491 689 L N -1.408 119.699 121.223 -0.194 0.000 2.515 689 L HA 0.483 4.827 4.340 0.005 0.000 0.223 689 L C 1.041 177.844 176.870 -0.112 0.000 1.079 689 L CA 0.329 55.061 54.840 -0.179 0.000 0.857 689 L CB 0.679 42.578 42.059 -0.266 0.000 1.050 689 L HN 0.278 nan 8.230 nan 0.000 0.476 690 V N 0.051 119.845 119.914 -0.200 0.000 2.925 690 V HA 0.478 4.601 4.120 0.005 0.000 0.311 690 V C -1.461 174.480 176.094 -0.254 0.000 1.104 690 V CA -0.378 61.786 62.300 -0.227 0.000 0.954 690 V CB 2.883 34.444 31.823 -0.436 0.000 1.022 690 V HN 0.180 nan 8.190 nan 0.000 0.427 691 E N 3.616 123.715 120.200 -0.169 0.000 2.393 691 E HA 0.439 4.793 4.350 0.005 0.000 0.273 691 E C -1.937 174.629 176.600 -0.058 0.000 0.918 691 E CA -0.678 55.641 56.400 -0.134 0.000 0.773 691 E CB 2.347 32.059 29.700 0.020 0.000 1.275 691 E HN 0.724 nan 8.360 nan 0.000 0.451 692 Y N 2.398 122.751 120.300 0.087 0.000 2.326 692 Y HA 0.377 4.930 4.550 0.005 0.000 0.337 692 Y C 0.127 176.069 175.900 0.069 0.000 1.023 692 Y CA -0.884 57.299 58.100 0.139 0.000 1.143 692 Y CB 1.040 39.560 38.460 0.101 0.000 1.183 692 Y HN 0.242 nan 8.280 nan 0.000 0.485 693 I N 4.242 124.990 120.570 0.297 0.000 2.498 693 I HA 0.175 4.348 4.170 0.005 0.000 0.290 693 I C -0.618 175.630 176.117 0.218 0.000 1.032 693 I CA -0.865 60.531 61.300 0.161 0.000 1.073 693 I CB 1.702 39.725 38.000 0.039 0.000 1.251 693 I HN 0.647 nan 8.210 nan 0.000 0.426 694 D N 4.860 125.369 120.400 0.181 0.000 2.432 694 D HA 0.369 5.012 4.640 0.005 0.000 0.258 694 D C 0.903 177.318 176.300 0.192 0.000 1.146 694 D CA -0.497 53.630 54.000 0.212 0.000 1.015 694 D CB 1.660 42.569 40.800 0.181 0.000 1.107 694 D HN 0.491 nan 8.370 nan 0.000 0.529 695 A N 0.422 123.380 122.820 0.228 0.000 1.873 695 A HA -0.276 4.047 4.320 0.005 0.000 0.218 695 A C 1.989 179.736 177.584 0.272 0.000 1.193 695 A CA 2.338 54.533 52.037 0.263 0.000 0.629 695 A CB -1.000 18.203 19.000 0.338 0.000 0.826 695 A HN 0.732 nan 8.150 nan 0.000 0.447 696 E N -0.203 120.135 120.200 0.230 0.000 2.037 696 E HA -0.272 4.081 4.350 0.005 0.000 0.214 696 E C 1.980 178.657 176.600 0.128 0.000 1.041 696 E CA 2.049 58.547 56.400 0.164 0.000 0.872 696 E CB -0.427 29.401 29.700 0.212 0.000 0.785 696 E HN 0.678 nan 8.360 nan 0.000 0.476 697 E N 0.021 120.287 120.200 0.110 0.000 2.187 697 E HA -0.295 4.059 4.350 0.005 0.000 0.199 697 E C 1.923 178.551 176.600 0.046 0.000 1.004 697 E CA 1.375 57.810 56.400 0.058 0.000 0.813 697 E CB -0.195 29.533 29.700 0.046 0.000 0.736 697 E HN 0.364 nan 8.360 nan 0.000 0.468 698 E N 0.120 120.364 120.200 0.074 0.000 2.393 698 E HA -0.190 4.163 4.350 0.005 0.000 0.201 698 E C 0.944 177.580 176.600 0.060 0.000 1.025 698 E CA 0.596 57.030 56.400 0.057 0.000 0.856 698 E CB 0.123 29.886 29.700 0.106 0.000 0.771 698 E HN 0.203 nan 8.360 nan 0.000 0.526 699 E N -0.384 119.866 120.200 0.083 0.000 2.359 699 E HA -0.014 4.340 4.350 0.005 0.000 0.187 699 E C 0.667 177.288 176.600 0.035 0.000 1.081 699 E CA 0.306 56.752 56.400 0.076 0.000 0.929 699 E CB 0.610 30.374 29.700 0.108 0.000 1.086 699 E HN 0.192 nan 8.360 nan 0.000 0.462 700 S N -0.683 115.031 115.700 0.024 0.000 2.911 700 S HA 0.160 4.633 4.470 0.005 0.000 0.261 700 S C 0.407 175.027 174.600 0.032 0.000 1.021 700 S CA -0.623 57.588 58.200 0.018 0.000 1.222 700 S CB -0.288 62.918 63.200 0.011 0.000 1.171 700 S HN 0.218 nan 8.310 nan 0.000 0.669 701 I N -1.319 119.270 120.570 0.031 0.000 2.892 701 I HA 0.793 4.966 4.170 0.005 0.000 0.306 701 I C -1.373 174.788 176.117 0.074 0.000 1.078 701 I CA -1.575 59.772 61.300 0.077 0.000 1.032 701 I CB 1.844 39.877 38.000 0.054 0.000 1.229 701 I HN 0.063 nan 8.210 nan 0.000 0.435 702 L N 5.050 126.350 121.223 0.129 0.000 2.287 702 L HA 0.610 4.954 4.340 0.005 0.000 0.287 702 L C -0.757 176.308 176.870 0.324 0.000 1.022 702 L CA -0.188 54.720 54.840 0.113 0.000 0.814 702 L CB 1.149 43.179 42.059 -0.048 0.000 1.217 702 L HN 0.509 nan 8.230 nan 0.000 0.420 703 I N 4.209 124.954 120.570 0.292 0.000 2.493 703 I HA 0.624 4.797 4.170 0.005 0.000 0.298 703 I C 0.070 176.376 176.117 0.316 0.000 0.998 703 I CA -0.820 60.657 61.300 0.296 0.000 1.137 703 I CB 1.918 40.004 38.000 0.144 0.000 1.310 703 I HN 0.663 nan 8.210 nan 0.000 0.445 704 A N 5.016 127.858 122.820 0.036 0.000 2.301 704 A HA 0.438 4.762 4.320 0.005 0.000 0.298 704 A C 0.569 178.113 177.584 -0.067 0.000 1.185 704 A CA -0.483 51.408 52.037 -0.243 0.000 0.830 704 A CB 0.960 19.448 19.000 -0.853 0.000 1.112 704 A HN 0.849 nan 8.150 nan 0.000 0.508 705 M N 0.721 120.300 119.600 -0.036 0.000 2.319 705 M HA -0.009 4.474 4.480 0.005 0.000 0.265 705 M C 0.697 176.996 176.300 -0.001 0.000 1.068 705 M CA 1.548 56.850 55.300 0.003 0.000 1.118 705 M CB -0.118 32.468 32.600 -0.024 0.000 1.395 705 M HN 0.779 nan 8.290 nan 0.000 0.435 706 Q N -2.493 117.279 119.800 -0.046 0.000 2.340 706 Q HA 0.355 4.698 4.340 0.005 0.000 0.276 706 Q C -2.719 173.228 176.000 -0.088 0.000 1.048 706 Q CA -1.893 53.897 55.803 -0.023 0.000 0.832 706 Q CB 1.064 29.804 28.738 0.004 0.000 1.373 706 Q HN -0.133 nan 8.270 nan 0.000 0.409 707 P HA -0.247 nan 4.420 nan 0.000 0.214 707 P C 0.815 178.041 177.300 -0.123 0.000 1.162 707 P CA 1.891 64.922 63.100 -0.115 0.000 0.879 707 P CB 0.324 31.966 31.700 -0.096 0.000 0.786 708 E N -0.372 119.787 120.200 -0.068 0.000 2.022 708 E HA -0.111 4.243 4.350 0.005 0.000 0.193 708 E C 1.246 177.804 176.600 -0.070 0.000 0.969 708 E CA 0.874 57.245 56.400 -0.049 0.000 0.834 708 E CB -1.378 28.319 29.700 -0.005 0.000 0.798 708 E HN 0.050 nan 8.360 nan 0.000 0.467 709 D N 0.487 120.857 120.400 -0.049 0.000 2.417 709 D HA -0.056 4.587 4.640 0.005 0.000 0.225 709 D C 0.330 176.511 176.300 -0.199 0.000 0.983 709 D CA 0.685 54.654 54.000 -0.051 0.000 0.949 709 D CB 0.139 40.936 40.800 -0.005 0.000 0.879 709 D HN 0.123 nan 8.370 nan 0.000 0.520 710 L N 0.702 121.756 121.223 -0.281 0.000 2.839 710 L HA 0.178 4.521 4.340 0.005 0.000 0.259 710 L C -0.032 176.592 176.870 -0.409 0.000 1.369 710 L CA 0.151 54.707 54.840 -0.473 0.000 0.845 710 L CB -0.260 41.639 42.059 -0.267 0.000 1.181 710 L HN 0.139 nan 8.230 nan 0.000 0.529 711 E N -0.860 119.127 120.200 -0.354 0.000 2.583 711 E HA -0.055 4.299 4.350 0.005 0.000 0.380 711 E C -2.559 174.092 176.600 0.084 0.000 0.942 711 E CA -0.069 56.349 56.400 0.030 0.000 1.202 711 E CB -1.401 28.304 29.700 0.007 0.000 1.273 711 E HN 0.237 nan 8.360 nan 0.000 0.427 712 P HA 0.354 nan 4.420 nan 0.000 0.219 712 P C 0.153 177.549 177.300 0.160 0.000 1.129 712 P CA 1.325 64.503 63.100 0.129 0.000 0.910 712 P CB 0.570 32.328 31.700 0.097 0.000 0.853 723 V N 0.056 119.988 119.914 0.030 0.000 2.834 723 V HA 0.787 4.910 4.120 0.005 0.000 0.313 723 V C -0.968 175.146 176.094 0.034 0.000 1.060 723 V CA -0.551 61.770 62.300 0.035 0.000 0.989 723 V CB 1.940 33.785 31.823 0.036 0.000 1.041 723 V HN 0.120 nan 8.190 nan 0.000 0.459 724 D N 2.517 122.940 120.400 0.040 0.000 2.381 724 D HA 0.587 5.231 4.640 0.005 0.000 0.235 724 D C -1.908 174.417 176.300 0.042 0.000 1.068 724 D CA -1.874 52.150 54.000 0.040 0.000 0.832 724 D CB 2.189 43.016 40.800 0.044 0.000 1.101 724 D HN 0.436 nan 8.370 nan 0.000 0.515 725 P HA 0.055 nan 4.420 nan 0.000 0.230 725 P C 0.713 178.039 177.300 0.043 0.000 1.158 725 P CA 0.345 63.467 63.100 0.036 0.000 0.769 725 P CB 0.365 32.081 31.700 0.028 0.000 0.807 726 A N -0.683 122.166 122.820 0.047 0.000 2.016 726 A HA -0.033 4.290 4.320 0.005 0.000 0.217 726 A C 1.286 178.916 177.584 0.076 0.000 1.162 726 A CA 0.959 53.029 52.037 0.056 0.000 0.662 726 A CB -0.420 18.611 19.000 0.051 0.000 0.812 726 A HN 0.155 nan 8.150 nan 0.000 0.450 727 K N 0.012 120.458 120.400 0.077 0.000 2.148 727 K HA 0.383 4.706 4.320 0.005 0.000 0.239 727 K C 0.156 176.808 176.600 0.086 0.000 1.018 727 K CA -0.770 55.573 56.287 0.094 0.000 0.923 727 K CB 0.617 33.171 32.500 0.090 0.000 1.117 727 K HN 0.468 nan 8.250 nan 0.000 0.477 728 R N 0.217 120.773 120.500 0.093 0.000 2.580 728 R HA 0.316 4.659 4.340 0.005 0.000 0.267 728 R C -0.143 176.192 176.300 0.058 0.000 1.125 728 R CA -0.660 55.485 56.100 0.075 0.000 1.188 728 R CB 0.120 30.466 30.300 0.076 0.000 1.155 728 R HN 0.303 nan 8.270 nan 0.000 0.586 729 I N 2.419 123.015 120.570 0.043 0.000 2.310 729 I HA 0.227 4.400 4.170 0.005 0.000 0.287 729 I C 0.415 176.550 176.117 0.031 0.000 1.073 729 I CA -0.718 60.604 61.300 0.037 0.000 1.216 729 I CB 0.408 38.426 38.000 0.030 0.000 1.415 729 I HN 0.485 nan 8.210 nan 0.000 0.480 730 R N 3.942 124.467 120.500 0.042 0.000 2.585 730 R HA 0.051 4.394 4.340 0.005 0.000 0.275 730 R C 1.457 177.785 176.300 0.047 0.000 1.018 730 R CA -0.014 56.111 56.100 0.041 0.000 1.072 730 R CB 1.187 31.522 30.300 0.058 0.000 0.953 730 R HN 0.567 nan 8.270 nan 0.000 0.419 731 V N -0.245 119.690 119.914 0.036 0.000 2.261 731 V HA -0.075 4.049 4.120 0.005 0.000 0.246 731 V C 0.751 176.902 176.094 0.096 0.000 1.047 731 V CA 1.105 63.427 62.300 0.037 0.000 1.015 731 V CB -0.354 31.473 31.823 0.007 0.000 0.642 731 V HN 0.761 nan 8.190 nan 0.000 0.446 732 S N -3.008 112.777 115.700 0.142 0.000 2.608 732 S HA 0.126 4.599 4.470 0.005 0.000 0.278 732 S C 0.187 174.952 174.600 0.274 0.000 0.858 732 S CA -0.026 58.332 58.200 0.265 0.000 1.162 732 S CB -0.295 63.157 63.200 0.420 0.000 1.452 732 S HN 0.721 nan 8.310 nan 0.000 0.446 733 H N 0.977 120.132 119.070 0.142 0.000 2.480 733 H HA 0.038 4.597 4.556 0.006 0.000 0.305 733 H C 1.022 176.453 175.328 0.171 0.000 1.035 733 H CA 1.489 57.631 56.048 0.157 0.000 1.221 733 H CB -0.272 29.544 29.762 0.091 0.000 1.449 733 H HN 0.779 nan 8.280 nan 0.000 0.597 734 H N -0.494 118.695 119.070 0.197 0.000 4.210 734 H HA -0.151 4.409 4.556 0.005 0.000 0.165 734 H C -0.109 175.216 175.328 -0.004 0.000 0.866 734 H CA 0.787 56.872 56.048 0.062 0.000 1.239 734 H CB -1.058 28.728 29.762 0.039 0.000 0.978 734 H HN 0.488 nan 8.280 nan 0.000 0.391 735 A N 1.223 124.069 122.820 0.044 0.000 2.332 735 A HA 0.545 4.868 4.320 0.005 0.000 0.300 735 A C 0.676 178.095 177.584 -0.276 0.000 1.153 735 A CA 0.222 52.163 52.037 -0.160 0.000 0.764 735 A CB 0.693 19.517 19.000 -0.293 0.000 1.174 735 A HN 0.339 nan 8.150 nan 0.000 0.467 736 T N -0.774 113.674 114.554 -0.177 0.000 3.444 736 T HA 0.473 4.826 4.350 0.005 0.000 0.265 736 T C -0.011 174.627 174.700 -0.103 0.000 1.537 736 T CA 0.076 62.122 62.100 -0.089 0.000 1.530 736 T CB 0.178 69.059 68.868 0.023 0.000 0.958 736 T HN 0.864 nan 8.240 nan 0.000 0.684 737 T N 0.949 115.359 114.554 -0.239 0.000 4.143 737 T HA 0.322 4.676 4.350 0.005 0.000 0.306 737 T C -0.317 174.311 174.700 -0.120 0.000 0.925 737 T CA -0.502 61.520 62.100 -0.130 0.000 1.014 737 T CB -0.702 68.101 68.868 -0.108 0.000 1.115 737 T HN 0.420 nan 8.240 nan 0.000 0.464 738 F N 1.690 121.651 119.950 0.019 0.000 2.586 738 F HA 0.314 4.844 4.527 0.005 0.000 0.335 738 F C 2.141 177.946 175.800 0.008 0.000 1.210 738 F CA 1.140 59.154 58.000 0.023 0.000 1.359 738 F CB 1.002 40.011 39.000 0.015 0.000 1.142 738 F HN 0.323 nan 8.300 nan 0.000 0.606 739 T N -3.810 110.903 114.554 0.265 0.000 3.100 739 T HA 0.252 4.605 4.350 0.005 0.000 0.255 739 T C -0.346 174.231 174.700 -0.204 0.000 0.893 739 T CA -0.165 61.954 62.100 0.033 0.000 0.882 739 T CB -0.049 68.878 68.868 0.098 0.000 1.266 739 T HN 0.518 nan 8.240 nan 0.000 0.528 740 H N -0.454 118.697 119.070 0.135 0.000 2.949 740 H HA 0.805 5.364 4.556 0.005 0.000 0.356 740 H C -1.231 174.137 175.328 0.066 0.000 1.212 740 H CA -0.857 55.246 56.048 0.092 0.000 1.136 740 H CB 2.026 31.839 29.762 0.084 0.000 1.869 740 H HN 0.360 nan 8.280 nan 0.000 0.556 741 C N 1.244 120.670 119.300 0.210 0.000 2.880 741 C HA 0.440 4.903 4.460 0.005 0.000 0.320 741 C C -0.591 174.510 174.990 0.185 0.000 1.176 741 C CA -0.526 58.578 59.018 0.144 0.000 1.390 741 C CB 0.920 28.707 27.740 0.079 0.000 1.846 741 C HN 0.953 nan 8.230 nan 0.000 0.478 742 E N 3.175 123.451 120.200 0.126 0.000 2.384 742 E HA 0.200 4.553 4.350 0.005 0.000 0.266 742 E C 1.211 177.846 176.600 0.058 0.000 1.012 742 E CA -0.026 56.418 56.400 0.073 0.000 0.901 742 E CB 0.466 30.243 29.700 0.130 0.000 0.967 742 E HN 0.530 nan 8.360 nan 0.000 0.435 743 I N 2.769 123.224 120.570 -0.192 0.000 2.286 743 I HA -0.118 4.056 4.170 0.005 0.000 0.248 743 I C 0.630 176.788 176.117 0.069 0.000 1.115 743 I CA 1.459 62.599 61.300 -0.266 0.000 1.392 743 I CB -1.102 36.634 38.000 -0.440 0.000 1.065 743 I HN 0.692 nan 8.210 nan 0.000 0.418 744 H N -1.361 117.639 119.070 -0.116 0.000 2.907 744 H HA 0.103 4.662 4.556 0.005 0.000 0.283 744 H C -2.693 172.621 175.328 -0.023 0.000 1.210 744 H CA -0.676 55.323 56.048 -0.082 0.000 1.747 744 H CB 0.401 29.977 29.762 -0.309 0.000 2.151 744 H HN -0.301 nan 8.280 nan 0.000 0.477 745 P HA -0.032 nan 4.420 nan 0.000 0.242 745 P C 0.947 178.348 177.300 0.169 0.000 1.197 745 P CA 1.348 64.448 63.100 -0.001 0.000 0.765 745 P CB 0.261 32.008 31.700 0.080 0.000 0.936 746 S N -1.498 114.229 115.700 0.044 0.000 2.650 746 S HA 0.042 4.515 4.470 0.005 0.000 0.219 746 S C 1.320 175.965 174.600 0.075 0.000 0.960 746 S CA 0.274 58.535 58.200 0.101 0.000 0.925 746 S CB -0.812 62.520 63.200 0.219 0.000 0.775 746 S HN -0.079 nan 8.310 nan 0.000 0.525 747 M N 1.610 121.205 119.600 -0.008 0.000 2.453 747 M HA 0.333 4.816 4.480 0.005 0.000 0.239 747 M C 1.349 177.520 176.300 -0.215 0.000 1.151 747 M CA 0.153 55.397 55.300 -0.093 0.000 0.989 747 M CB -0.546 31.965 32.600 -0.149 0.000 1.548 747 M HN 0.585 nan 8.290 nan 0.000 0.479 748 I N -2.207 118.194 120.570 -0.281 0.000 3.059 748 I HA 0.071 4.245 4.170 0.005 0.000 0.270 748 I C 0.704 176.686 176.117 -0.225 0.000 1.238 748 I CA 0.116 61.167 61.300 -0.415 0.000 1.478 748 I CB -0.119 37.438 38.000 -0.738 0.000 1.097 748 I HN -0.018 nan 8.210 nan 0.000 0.455 749 L N 2.442 123.595 121.223 -0.116 0.000 2.452 749 L HA 0.390 4.734 4.340 0.005 0.000 0.267 749 L C 0.896 177.735 176.870 -0.051 0.000 1.188 749 L CA 0.021 54.825 54.840 -0.060 0.000 0.821 749 L CB 0.384 42.433 42.059 -0.017 0.000 1.102 749 L HN 0.190 nan 8.230 nan 0.000 0.470 750 G N 0.408 109.183 108.800 -0.042 0.000 2.511 750 G HA2 0.333 4.296 3.960 0.005 0.000 0.316 750 G HA3 0.333 4.296 3.960 0.005 0.000 0.316 750 G C 0.726 175.625 174.900 -0.002 0.000 1.210 750 G CA -0.615 44.466 45.100 -0.030 0.000 0.969 750 G HN 0.437 nan 8.290 nan 0.000 0.492 751 V N 0.200 120.116 119.914 0.003 0.000 2.794 751 V HA -0.095 4.028 4.120 0.005 0.000 0.260 751 V C 2.393 178.506 176.094 0.032 0.000 1.103 751 V CA 2.935 65.245 62.300 0.017 0.000 1.125 751 V CB -0.329 31.494 31.823 -0.000 0.000 0.702 751 V HN 0.838 nan 8.190 nan 0.000 0.494 752 A N -1.924 120.912 122.820 0.026 0.000 2.211 752 A HA 0.529 4.852 4.320 0.005 0.000 0.208 752 A C 2.150 179.752 177.584 0.029 0.000 1.250 752 A CA 0.919 52.983 52.037 0.044 0.000 0.935 752 A CB -0.196 18.829 19.000 0.042 0.000 0.982 752 A HN 0.546 nan 8.150 nan 0.000 0.490 753 A N 0.216 123.045 122.820 0.015 0.000 1.898 753 A HA -0.014 4.309 4.320 0.005 0.000 0.216 753 A C 1.725 179.303 177.584 -0.010 0.000 1.181 753 A CA 1.597 53.638 52.037 0.006 0.000 0.620 753 A CB -0.817 18.187 19.000 0.006 0.000 0.819 753 A HN 0.379 nan 8.150 nan 0.000 0.442 754 S N 0.269 115.968 115.700 -0.002 0.000 3.237 754 S HA 0.130 4.604 4.470 0.005 0.000 0.255 754 S C 0.761 175.334 174.600 -0.044 0.000 1.127 754 S CA 0.452 58.646 58.200 -0.009 0.000 1.254 754 S CB -0.604 62.616 63.200 0.033 0.000 1.022 754 S HN 0.497 nan 8.310 nan 0.000 0.477 755 I N -1.192 119.335 120.570 -0.071 0.000 4.420 755 I HA 0.186 4.359 4.170 0.005 0.000 0.292 755 I C 0.257 176.277 176.117 -0.162 0.000 1.153 755 I CA -0.133 61.074 61.300 -0.155 0.000 1.315 755 I CB -0.607 37.335 38.000 -0.097 0.000 1.616 755 I HN 0.194 nan 8.210 nan 0.000 0.450 756 I N 5.420 125.922 120.570 -0.114 0.000 3.352 756 I HA -0.146 4.027 4.170 0.005 0.000 0.344 756 I C -2.177 173.911 176.117 -0.049 0.000 1.229 756 I CA 0.266 61.497 61.300 -0.115 0.000 1.458 756 I CB -0.456 37.520 38.000 -0.039 0.000 1.321 756 I HN 0.036 nan 8.210 nan 0.000 0.494 757 P HA 0.304 nan 4.420 nan 0.000 0.291 757 P C -0.607 176.980 177.300 0.479 0.000 1.340 757 P CA -0.301 62.898 63.100 0.165 0.000 0.799 757 P CB 0.231 32.090 31.700 0.264 0.000 0.917 758 F N 3.128 123.135 119.950 0.095 0.000 2.789 758 F HA -0.117 4.414 4.527 0.005 0.000 0.373 758 F C -1.240 174.684 175.800 0.207 0.000 1.009 758 F CA -0.258 57.858 58.000 0.192 0.000 1.386 758 F CB -1.917 37.207 39.000 0.206 0.000 1.670 758 F HN 0.285 nan 8.300 nan 0.000 0.660 759 P HA -0.156 nan 4.420 nan 0.000 0.219 759 P C 0.980 178.388 177.300 0.180 0.000 1.146 759 P CA 2.050 65.250 63.100 0.167 0.000 0.808 759 P CB 0.029 31.770 31.700 0.070 0.000 0.779 760 D N -2.132 118.370 120.400 0.171 0.000 2.352 760 D HA -0.114 4.529 4.640 0.005 0.000 0.232 760 D C 1.109 177.306 176.300 -0.171 0.000 1.055 760 D CA 0.568 54.616 54.000 0.080 0.000 0.891 760 D CB -1.084 39.818 40.800 0.170 0.000 0.897 760 D HN 0.363 nan 8.370 nan 0.000 0.529 761 H N -0.836 118.355 119.070 0.202 0.000 3.058 761 H HA 0.274 4.833 4.556 0.005 0.000 0.266 761 H C -0.239 175.137 175.328 0.080 0.000 1.135 761 H CA -0.458 55.672 56.048 0.136 0.000 1.174 761 H CB 0.389 30.227 29.762 0.126 0.000 1.581 761 H HN 0.140 nan 8.280 nan 0.000 0.553 762 N N 1.813 120.618 118.700 0.175 0.000 2.487 762 N HA 0.071 4.814 4.740 0.005 0.000 0.292 762 N C -0.044 175.508 175.510 0.069 0.000 1.108 762 N CA -0.342 52.774 53.050 0.110 0.000 0.956 762 N CB 1.945 40.516 38.487 0.141 0.000 1.176 762 N HN 0.179 nan 8.380 nan 0.000 0.484 763 Q N 0.978 120.799 119.800 0.035 0.000 2.330 763 Q HA 0.016 4.359 4.340 0.005 0.000 0.279 763 Q C 0.497 176.502 176.000 0.008 0.000 1.024 763 Q CA -0.095 55.718 55.803 0.016 0.000 0.900 763 Q CB 0.697 29.430 28.738 -0.008 0.000 1.221 763 Q HN 0.802 nan 8.270 nan 0.000 0.396 764 S N 3.112 118.825 115.700 0.021 0.000 2.425 764 S HA 0.054 4.527 4.470 0.005 0.000 0.225 764 S C -1.300 173.324 174.600 0.041 0.000 1.024 764 S CA 0.198 58.423 58.200 0.042 0.000 0.951 764 S CB -0.743 62.489 63.200 0.052 0.000 0.796 764 S HN 0.628 nan 8.310 nan 0.000 0.498 765 P HA -0.117 nan 4.420 nan 0.000 0.214 765 P C 1.437 178.697 177.300 -0.068 0.000 1.169 765 P CA 1.301 64.422 63.100 0.035 0.000 0.908 765 P CB -0.077 31.612 31.700 -0.018 0.000 0.791 766 R N -1.013 119.348 120.500 -0.233 0.000 2.241 766 R HA -0.022 4.321 4.340 0.005 0.000 0.224 766 R C 1.713 177.995 176.300 -0.031 0.000 1.101 766 R CA 0.652 56.568 56.100 -0.307 0.000 0.995 766 R CB -1.221 28.935 30.300 -0.240 0.000 0.870 766 R HN 0.370 nan 8.270 nan 0.000 0.463 767 N N 0.105 118.827 118.700 0.037 0.000 2.331 767 N HA -0.068 4.675 4.740 0.005 0.000 0.180 767 N C 1.278 176.849 175.510 0.102 0.000 1.019 767 N CA 1.205 54.301 53.050 0.077 0.000 0.881 767 N CB 0.098 38.632 38.487 0.078 0.000 0.972 767 N HN 0.155 nan 8.380 nan 0.000 0.435 768 T N 0.452 115.101 114.554 0.158 0.000 2.732 768 T HA -0.056 4.297 4.350 0.005 0.000 0.261 768 T C 1.704 176.559 174.700 0.258 0.000 1.040 768 T CA 0.895 63.111 62.100 0.194 0.000 1.145 768 T CB -0.546 68.454 68.868 0.219 0.000 0.866 768 T HN 0.326 nan 8.240 nan 0.000 0.427 769 Y N 1.348 121.654 120.300 0.011 0.000 2.181 769 Y HA -0.246 4.307 4.550 0.005 0.000 0.284 769 Y C 2.878 178.777 175.900 -0.002 0.000 1.179 769 Y CA 0.825 58.927 58.100 0.004 0.000 1.179 769 Y CB -0.266 38.196 38.460 0.003 0.000 0.973 769 Y HN 0.186 nan 8.280 nan 0.000 0.519 770 Q N 1.113 121.007 119.800 0.158 0.000 2.364 770 Q HA -0.120 4.223 4.340 0.005 0.000 0.207 770 Q C 1.821 177.854 176.000 0.055 0.000 0.970 770 Q CA 1.643 57.485 55.803 0.064 0.000 0.888 770 Q CB -0.299 28.433 28.738 -0.010 0.000 0.951 770 Q HN 0.456 nan 8.270 nan 0.000 0.469 771 S N -1.636 114.103 115.700 0.066 0.000 2.483 771 S HA 0.299 4.772 4.470 0.005 0.000 0.221 771 S C 1.909 176.530 174.600 0.035 0.000 1.030 771 S CA 0.178 58.406 58.200 0.047 0.000 0.925 771 S CB -0.312 62.912 63.200 0.040 0.000 0.795 771 S HN 0.391 nan 8.310 nan 0.000 0.511 772 A N 3.171 126.008 122.820 0.028 0.000 1.836 772 A HA 0.036 4.359 4.320 0.005 0.000 0.215 772 A C 1.465 179.061 177.584 0.021 0.000 1.214 772 A CA 1.446 53.480 52.037 -0.004 0.000 0.636 772 A CB -1.068 17.895 19.000 -0.062 0.000 0.847 772 A HN 0.529 nan 8.150 nan 0.000 0.451 773 M N -2.581 117.040 119.600 0.035 0.000 1.722 773 M HA 0.314 4.797 4.480 0.005 0.000 0.130 773 M C 1.793 178.130 176.300 0.061 0.000 1.163 773 M CA 1.402 56.735 55.300 0.055 0.000 0.587 773 M CB -0.532 32.099 32.600 0.052 0.000 0.913 773 M HN 0.938 nan 8.290 nan 0.000 0.257 774 G N -0.836 108.002 108.800 0.064 0.000 2.530 774 G HA2 -0.366 3.598 3.960 0.005 0.000 0.247 774 G HA3 -0.366 3.598 3.960 0.005 0.000 0.247 774 G C 1.206 176.145 174.900 0.066 0.000 1.067 774 G CA 1.218 46.356 45.100 0.064 0.000 0.650 774 G HN 0.619 nan 8.290 nan 0.000 0.531 775 K N 0.134 120.577 120.400 0.072 0.000 2.076 775 K HA 0.076 4.399 4.320 0.005 0.000 0.204 775 K C 2.532 179.235 176.600 0.171 0.000 1.051 775 K CA 1.382 57.718 56.287 0.082 0.000 0.949 775 K CB -0.167 32.365 32.500 0.053 0.000 0.726 775 K HN 0.572 nan 8.250 nan 0.000 0.443 776 Q N 0.028 119.929 119.800 0.168 0.000 2.515 776 Q HA 0.071 4.415 4.340 0.005 0.000 0.212 776 Q C -0.126 176.090 176.000 0.361 0.000 0.970 776 Q CA 0.027 55.992 55.803 0.271 0.000 0.941 776 Q CB 0.407 29.249 28.738 0.173 0.000 0.998 776 Q HN 0.136 nan 8.270 nan 0.000 0.518 777 A N 1.671 124.568 122.820 0.129 0.000 2.260 777 A HA 0.492 4.815 4.320 0.005 0.000 0.308 777 A C -0.026 177.423 177.584 -0.226 0.000 1.254 777 A CA -0.711 51.322 52.037 -0.007 0.000 0.874 777 A CB 0.014 19.018 19.000 0.007 0.000 1.153 777 A HN 0.273 nan 8.150 nan 0.000 0.527 778 M N 2.599 122.003 119.600 -0.326 0.000 2.274 778 M HA 0.744 5.227 4.480 0.005 0.000 0.344 778 M C 0.544 176.683 176.300 -0.267 0.000 1.161 778 M CA 0.485 55.471 55.300 -0.523 0.000 1.126 778 M CB 1.149 33.421 32.600 -0.546 0.000 1.522 778 M HN 0.553 nan 8.290 nan 0.000 0.461 779 G N 1.176 109.817 108.800 -0.264 0.000 3.064 779 G HA2 0.466 4.429 3.960 0.005 0.000 0.151 779 G HA3 0.466 4.429 3.960 0.005 0.000 0.151 779 G C -0.619 174.179 174.900 -0.170 0.000 1.489 779 G CA 0.014 45.007 45.100 -0.179 0.000 1.066 779 G HN 1.103 nan 8.290 nan 0.000 0.740 780 V N 0.019 119.826 119.914 -0.180 0.000 2.666 780 V HA 0.356 4.479 4.120 0.005 0.000 0.269 780 V C 0.942 176.900 176.094 -0.226 0.000 0.926 780 V CA -0.193 61.959 62.300 -0.247 0.000 1.035 780 V CB -0.454 31.185 31.823 -0.305 0.000 1.099 780 V HN 0.831 nan 8.190 nan 0.000 0.519 781 F N 1.171 121.056 119.950 -0.108 0.000 2.225 781 F HA 0.146 4.675 4.527 0.005 0.000 0.302 781 F C 0.407 176.259 175.800 0.087 0.000 1.068 781 F CA 1.479 59.478 58.000 -0.001 0.000 1.327 781 F CB -0.135 38.873 39.000 0.014 0.000 1.043 781 F HN 0.334 nan 8.300 nan 0.000 0.506 782 L N -1.841 118.949 121.223 -0.721 0.000 3.041 782 L HA 0.124 4.467 4.340 0.005 0.000 0.278 782 L C 0.701 177.315 176.870 -0.427 0.000 1.051 782 L CA -0.146 54.438 54.840 -0.426 0.000 0.957 782 L CB 1.638 43.495 42.059 -0.337 0.000 1.538 782 L HN -0.180 nan 8.230 nan 0.000 0.393 783 T N -1.515 112.933 114.554 -0.177 0.000 3.031 783 T HA -0.029 4.324 4.350 0.005 0.000 0.254 783 T C 1.197 175.924 174.700 0.045 0.000 1.060 783 T CA 0.944 63.002 62.100 -0.069 0.000 1.135 783 T CB -0.216 68.644 68.868 -0.012 0.000 0.896 783 T HN 0.648 nan 8.240 nan 0.000 0.472 784 N N 2.315 121.001 118.700 -0.025 0.000 2.521 784 N HA -0.089 4.655 4.740 0.005 0.000 0.188 784 N C 1.474 176.982 175.510 -0.003 0.000 1.146 784 N CA 0.259 53.309 53.050 -0.001 0.000 0.893 784 N CB -1.192 37.273 38.487 -0.036 0.000 0.975 784 N HN 0.738 nan 8.380 nan 0.000 0.451 785 Y N 2.182 122.326 120.300 -0.260 0.000 2.264 785 Y HA -0.323 4.231 4.550 0.007 0.000 0.282 785 Y C 0.899 176.729 175.900 -0.117 0.000 1.204 785 Y CA 1.685 59.676 58.100 -0.181 0.000 1.228 785 Y CB -1.198 37.068 38.460 -0.323 0.000 0.971 785 Y HN 0.214 nan 8.280 nan 0.000 0.538 786 N N -0.205 118.008 118.700 -0.811 0.000 2.322 786 N HA 0.073 4.816 4.740 0.005 0.000 0.194 786 N C 0.212 175.494 175.510 -0.380 0.000 1.126 786 N CA 0.714 53.296 53.050 -0.781 0.000 0.845 786 N CB 0.492 38.555 38.487 -0.707 0.000 0.976 786 N HN 0.347 nan 8.380 nan 0.000 0.475 787 V N -1.438 118.333 119.914 -0.239 0.000 3.502 787 V HA 0.278 4.401 4.120 0.005 0.000 0.288 787 V C 0.480 176.525 176.094 -0.082 0.000 1.461 787 V CA -0.232 61.991 62.300 -0.128 0.000 1.029 787 V CB -0.271 31.508 31.823 -0.072 0.000 0.843 787 V HN 0.149 nan 8.190 nan 0.000 0.438 788 R N 0.603 121.059 120.500 -0.072 0.000 2.720 788 R HA 0.714 5.057 4.340 0.005 0.000 0.272 788 R C -0.610 175.662 176.300 -0.047 0.000 0.991 788 R CA -0.566 55.529 56.100 -0.009 0.000 1.010 788 R CB 1.265 31.618 30.300 0.089 0.000 1.141 788 R HN 0.029 nan 8.270 nan 0.000 0.494 789 M N 2.813 122.401 119.600 -0.021 0.000 2.065 789 M HA 0.279 4.762 4.480 0.005 0.000 0.332 789 M C -1.547 174.740 176.300 -0.023 0.000 0.988 789 M CA -0.842 54.437 55.300 -0.034 0.000 0.944 789 M CB 0.750 33.336 32.600 -0.024 0.000 1.357 789 M HN 0.568 nan 8.290 nan 0.000 0.388 790 D N 0.872 121.245 120.400 -0.045 0.000 2.498 790 D HA 0.403 5.047 4.640 0.005 0.000 0.247 790 D C -0.322 175.931 176.300 -0.077 0.000 1.070 790 D CA -0.445 53.515 54.000 -0.067 0.000 0.842 790 D CB 1.127 41.855 40.800 -0.121 0.000 1.361 790 D HN 0.272 nan 8.370 nan 0.000 0.484 791 T N 2.067 116.567 114.554 -0.091 0.000 2.784 791 T HA 0.313 4.666 4.350 0.005 0.000 0.291 791 T C 0.332 174.980 174.700 -0.086 0.000 0.942 791 T CA -0.138 61.890 62.100 -0.120 0.000 1.161 791 T CB -0.255 68.536 68.868 -0.128 0.000 0.885 791 T HN 0.565 nan 8.240 nan 0.000 0.534 792 M N 2.170 121.760 119.600 -0.016 0.000 4.047 792 M HA 0.067 4.550 4.480 0.005 0.000 0.157 792 M C -0.946 175.384 176.300 0.050 0.000 1.532 792 M CA 0.586 55.945 55.300 0.098 0.000 1.097 792 M CB -0.808 31.785 32.600 -0.011 0.000 1.346 792 M HN 1.077 nan 8.290 nan 0.000 0.190 793 A N 5.118 128.046 122.820 0.180 0.000 2.500 793 A HA 0.717 5.040 4.320 0.005 0.000 0.291 793 A C -1.211 176.494 177.584 0.203 0.000 1.048 793 A CA -0.610 51.504 52.037 0.129 0.000 0.791 793 A CB 1.401 20.534 19.000 0.221 0.000 1.309 793 A HN 0.825 nan 8.150 nan 0.000 0.397 794 N N 1.098 119.873 118.700 0.123 0.000 2.407 794 N HA 0.656 5.400 4.740 0.005 0.000 0.277 794 N C -1.414 174.127 175.510 0.052 0.000 0.995 794 N CA -0.394 52.665 53.050 0.015 0.000 0.903 794 N CB 1.541 40.002 38.487 -0.043 0.000 1.218 794 N HN 0.474 nan 8.380 nan 0.000 0.487 795 I N 2.592 123.198 120.570 0.060 0.000 2.498 795 I HA 0.319 4.493 4.170 0.005 0.000 0.290 795 I C -0.574 175.497 176.117 -0.076 0.000 1.032 795 I CA -0.546 60.757 61.300 0.006 0.000 1.073 795 I CB 1.791 39.852 38.000 0.101 0.000 1.251 795 I HN 0.396 nan 8.210 nan 0.000 0.426 796 L N 6.199 127.373 121.223 -0.081 0.000 2.360 796 L HA 0.147 4.490 4.340 0.005 0.000 0.276 796 L C 0.801 177.676 176.870 0.008 0.000 1.121 796 L CA -0.068 54.755 54.840 -0.028 0.000 0.845 796 L CB 0.456 42.525 42.059 0.018 0.000 1.143 796 L HN 0.551 nan 8.230 nan 0.000 0.452 797 Y N 3.414 123.686 120.300 -0.046 0.000 2.040 797 Y HA -0.249 4.304 4.550 0.005 0.000 0.275 797 Y C 0.416 176.062 175.900 -0.424 0.000 1.171 797 Y CA 1.231 59.209 58.100 -0.203 0.000 1.123 797 Y CB -0.314 38.104 38.460 -0.070 0.000 0.963 797 Y HN 0.398 nan 8.280 nan 0.000 0.493 798 Y N 0.576 120.984 120.300 0.180 0.000 2.646 798 Y HA 0.343 4.897 4.550 0.006 0.000 0.334 798 Y C -2.273 173.649 175.900 0.037 0.000 1.004 798 Y CA -2.854 55.288 58.100 0.069 0.000 1.301 798 Y CB 0.931 39.406 38.460 0.025 0.000 1.093 798 Y HN -0.074 nan 8.280 nan 0.000 0.530 799 P HA 0.339 nan 4.420 nan 0.000 0.278 799 P C -1.167 176.205 177.300 0.120 0.000 1.258 799 P CA -0.575 62.584 63.100 0.098 0.000 0.811 799 P CB 1.620 33.333 31.700 0.020 0.000 1.063 800 Q N -0.403 119.498 119.800 0.169 0.000 2.364 800 Q HA 0.187 4.530 4.340 0.005 0.000 0.251 800 Q C -0.813 175.313 176.000 0.211 0.000 0.927 800 Q CA -0.905 54.996 55.803 0.164 0.000 0.924 800 Q CB 2.133 30.968 28.738 0.161 0.000 1.419 800 Q HN 0.392 nan 8.270 nan 0.000 0.427 801 K N 2.285 122.746 120.400 0.101 0.000 2.484 801 K HA 0.209 4.532 4.320 0.005 0.000 0.280 801 K C -2.234 174.284 176.600 -0.138 0.000 1.013 801 K CA -0.723 55.588 56.287 0.040 0.000 1.029 801 K CB 0.106 32.606 32.500 0.000 0.000 0.902 801 K HN 0.092 nan 8.250 nan 0.000 0.481 802 P HA -0.060 nan 4.420 nan 0.000 0.271 802 P C -0.289 176.790 177.300 -0.368 0.000 1.233 802 P CA -0.257 62.396 63.100 -0.745 0.000 0.789 802 P CB 0.504 31.637 31.700 -0.944 0.000 0.951 803 L N 0.863 121.910 121.223 -0.295 0.000 2.648 803 L HA 0.409 4.752 4.340 0.005 0.000 0.238 803 L C 0.590 177.377 176.870 -0.138 0.000 1.316 803 L CA 0.170 54.913 54.840 -0.163 0.000 1.241 803 L CB -0.855 41.144 42.059 -0.100 0.000 1.499 803 L HN 0.728 nan 8.230 nan 0.000 0.411 804 G N -0.301 108.400 108.800 -0.166 0.000 2.362 804 G HA2 0.009 3.973 3.960 0.005 0.000 0.189 804 G HA3 0.009 3.973 3.960 0.005 0.000 0.189 804 G C -0.501 174.284 174.900 -0.191 0.000 1.374 804 G CA -0.273 44.752 45.100 -0.124 0.000 1.140 804 G HN 0.256 nan 8.290 nan 0.000 0.611 805 T N -0.821 113.610 114.554 -0.205 0.000 2.938 805 T HA 0.845 5.198 4.350 0.005 0.000 0.285 805 T C 0.237 174.781 174.700 -0.260 0.000 1.028 805 T CA -0.279 61.664 62.100 -0.262 0.000 1.005 805 T CB 2.274 70.988 68.868 -0.257 0.000 1.157 805 T HN 0.500 nan 8.240 nan 0.000 0.550 806 T N 2.298 116.690 114.554 -0.269 0.000 2.837 806 T HA 0.348 4.701 4.350 0.005 0.000 0.285 806 T C 1.366 175.888 174.700 -0.297 0.000 0.984 806 T CA -0.799 61.149 62.100 -0.253 0.000 1.049 806 T CB 1.346 70.106 68.868 -0.180 0.000 0.947 806 T HN 0.523 nan 8.240 nan 0.000 0.472 807 R N 2.315 122.566 120.500 -0.414 0.000 2.178 807 R HA -0.187 4.156 4.340 0.005 0.000 0.257 807 R C 2.266 178.275 176.300 -0.485 0.000 1.163 807 R CA 1.911 57.586 56.100 -0.708 0.000 0.981 807 R CB -1.123 28.269 30.300 -1.513 0.000 0.878 807 R HN 0.771 nan 8.270 nan 0.000 0.454 808 A N -0.092 122.670 122.820 -0.098 0.000 1.968 808 A HA -0.060 4.263 4.320 0.005 0.000 0.217 808 A C 2.267 179.853 177.584 0.004 0.000 1.169 808 A CA 1.026 53.187 52.037 0.206 0.000 0.638 808 A CB -0.324 18.875 19.000 0.333 0.000 0.812 808 A HN 0.223 nan 8.150 nan 0.000 0.446 809 M N -0.578 118.962 119.600 -0.101 0.000 2.113 809 M HA -0.288 4.195 4.480 0.005 0.000 0.255 809 M C 2.210 178.438 176.300 -0.121 0.000 1.073 809 M CA 2.347 57.585 55.300 -0.104 0.000 1.091 809 M CB -0.592 31.894 32.600 -0.191 0.000 1.309 809 M HN 0.665 nan 8.290 nan 0.000 0.407 810 E N 0.166 120.205 120.200 -0.268 0.000 2.187 810 E HA -0.240 4.113 4.350 0.005 0.000 0.199 810 E C 1.387 177.775 176.600 -0.354 0.000 1.004 810 E CA 1.701 57.890 56.400 -0.351 0.000 0.813 810 E CB -0.179 29.224 29.700 -0.494 0.000 0.736 810 E HN 0.706 nan 8.360 nan 0.000 0.468 811 Y N -0.416 119.834 120.300 -0.083 0.000 2.511 811 Y HA 0.094 4.648 4.550 0.005 0.000 0.279 811 Y C 1.868 177.630 175.900 -0.231 0.000 1.157 811 Y CA 0.045 58.017 58.100 -0.213 0.000 1.300 811 Y CB 0.283 38.450 38.460 -0.488 0.000 1.052 811 Y HN -0.002 nan 8.280 nan 0.000 0.529 812 L N -0.565 120.651 121.223 -0.013 0.000 2.640 812 L HA 0.160 4.503 4.340 0.005 0.000 0.230 812 L C 0.687 177.608 176.870 0.086 0.000 1.123 812 L CA 0.056 54.923 54.840 0.046 0.000 0.900 812 L CB 0.015 42.123 42.059 0.082 0.000 1.146 812 L HN 0.005 nan 8.230 nan 0.000 0.484 813 K N -0.798 119.582 120.400 -0.032 0.000 3.274 813 K HA -0.272 4.051 4.320 0.005 0.000 0.300 813 K C 0.909 177.392 176.600 -0.195 0.000 1.230 813 K CA 0.816 56.987 56.287 -0.194 0.000 0.884 813 K CB -2.261 29.974 32.500 -0.441 0.000 1.242 813 K HN 0.307 nan 8.250 nan 0.000 0.467 814 F N 2.444 122.306 119.950 -0.147 0.000 2.065 814 F HA -0.269 4.261 4.527 0.006 0.000 0.298 814 F C 2.431 178.150 175.800 -0.136 0.000 1.112 814 F CA 2.176 60.114 58.000 -0.105 0.000 1.212 814 F CB 0.038 39.009 39.000 -0.047 0.000 0.975 814 F HN 0.159 nan 8.300 nan 0.000 0.476 815 R N 0.225 120.822 120.500 0.162 0.000 2.261 815 R HA -0.193 4.151 4.340 0.005 0.000 0.236 815 R C 1.080 177.370 176.300 -0.017 0.000 1.141 815 R CA 1.822 57.961 56.100 0.066 0.000 1.001 815 R CB -0.915 29.373 30.300 -0.020 0.000 0.866 815 R HN 0.394 nan 8.270 nan 0.000 0.468 816 E N 0.265 120.393 120.200 -0.121 0.000 2.413 816 E HA 0.255 4.609 4.350 0.005 0.000 0.203 816 E C 0.225 176.671 176.600 -0.257 0.000 0.957 816 E CA 0.189 56.495 56.400 -0.156 0.000 0.950 816 E CB 0.629 30.236 29.700 -0.154 0.000 0.957 816 E HN 0.115 nan 8.360 nan 0.000 0.497 817 L N 2.662 123.640 121.223 -0.408 0.000 2.495 817 L HA 0.413 4.757 4.340 0.005 0.000 0.248 817 L C -2.532 174.043 176.870 -0.492 0.000 1.229 817 L CA -1.781 52.780 54.840 -0.465 0.000 0.942 817 L CB 1.217 42.826 42.059 -0.751 0.000 1.242 817 L HN -0.075 nan 8.230 nan 0.000 0.484 818 P HA 0.371 nan 4.420 nan 0.000 0.281 818 P C -0.772 176.345 177.300 -0.306 0.000 1.264 818 P CA -0.623 62.258 63.100 -0.366 0.000 0.824 818 P CB 2.147 33.950 31.700 0.171 0.000 1.092 819 A N 0.486 123.167 122.820 -0.232 0.000 3.216 819 A HA 0.706 5.029 4.320 0.005 0.000 0.321 819 A C 0.099 177.608 177.584 -0.125 0.000 1.042 819 A CA -0.011 51.934 52.037 -0.154 0.000 0.838 819 A CB -0.409 18.465 19.000 -0.210 0.000 1.136 819 A HN 0.792 nan 8.150 nan 0.000 0.483 820 G N -0.200 108.522 108.800 -0.130 0.000 2.336 820 G HA2 0.501 4.464 3.960 0.005 0.000 0.286 820 G HA3 0.501 4.464 3.960 0.005 0.000 0.286 820 G C -1.693 173.188 174.900 -0.032 0.000 1.269 820 G CA -0.512 44.364 45.100 -0.375 0.000 0.873 820 G HN 0.504 nan 8.290 nan 0.000 0.494 821 Q N -0.750 119.054 119.800 0.007 0.000 2.482 821 Q HA 0.359 4.702 4.340 0.005 0.000 0.286 821 Q C -1.353 174.778 176.000 0.220 0.000 1.007 821 Q CA -0.994 54.846 55.803 0.062 0.000 0.801 821 Q CB 2.353 30.792 28.738 -0.498 0.000 1.455 821 Q HN 0.398 nan 8.270 nan 0.000 0.398 822 N N 1.081 119.844 118.700 0.106 0.000 2.719 822 N HA 0.332 5.076 4.740 0.005 0.000 0.243 822 N C -1.224 174.292 175.510 0.010 0.000 1.104 822 N CA 0.141 53.255 53.050 0.105 0.000 0.981 822 N CB 0.973 39.487 38.487 0.044 0.000 1.290 822 N HN 0.539 nan 8.380 nan 0.000 0.513 823 A N 2.594 125.448 122.820 0.056 0.000 2.316 823 A HA 0.492 4.815 4.320 0.005 0.000 0.284 823 A C 0.429 178.029 177.584 0.027 0.000 1.115 823 A CA -0.573 51.469 52.037 0.009 0.000 0.812 823 A CB 0.509 19.555 19.000 0.077 0.000 1.064 823 A HN 0.488 nan 8.150 nan 0.000 0.489 824 I N 2.626 123.168 120.570 -0.046 0.000 2.287 824 I HA 0.370 4.543 4.170 0.005 0.000 0.290 824 I C 0.061 176.004 176.117 -0.291 0.000 1.069 824 I CA -0.437 60.801 61.300 -0.103 0.000 1.237 824 I CB 0.006 37.977 38.000 -0.049 0.000 1.418 824 I HN 0.315 nan 8.210 nan 0.000 0.481 825 V N 5.565 125.334 119.914 -0.242 0.000 2.472 825 V HA 0.837 4.960 4.120 0.005 0.000 0.290 825 V C 0.281 176.139 176.094 -0.393 0.000 1.037 825 V CA -0.279 61.884 62.300 -0.229 0.000 0.908 825 V CB 1.588 33.409 31.823 -0.002 0.000 0.985 825 V HN 0.880 nan 8.190 nan 0.000 0.454 826 A N 6.972 129.575 122.820 -0.362 0.000 2.644 826 A HA 0.532 4.856 4.320 0.005 0.000 0.343 826 A C 0.378 177.854 177.584 -0.181 0.000 1.324 826 A CA -0.580 51.251 52.037 -0.343 0.000 0.846 826 A CB -0.213 18.548 19.000 -0.397 0.000 1.128 826 A HN 0.944 nan 8.150 nan 0.000 0.484 827 I N 1.671 122.135 120.570 -0.176 0.000 3.230 827 I HA -0.036 4.137 4.170 0.005 0.000 0.323 827 I C 0.990 177.058 176.117 -0.082 0.000 1.012 827 I CA 0.495 61.708 61.300 -0.145 0.000 1.426 827 I CB -0.923 36.921 38.000 -0.260 0.000 1.058 827 I HN 0.546 nan 8.210 nan 0.000 0.674 828 A N 1.228 124.015 122.820 -0.055 0.000 2.343 828 A HA 0.503 4.826 4.320 0.005 0.000 0.316 828 A C 0.117 177.731 177.584 0.050 0.000 1.104 828 A CA -0.562 51.465 52.037 -0.016 0.000 0.768 828 A CB 0.706 19.682 19.000 -0.040 0.000 1.213 828 A HN 0.483 nan 8.150 nan 0.000 0.456 829 C N 2.499 121.847 119.300 0.081 0.000 2.523 829 C HA 0.287 4.750 4.460 0.005 0.000 0.406 829 C C 0.686 175.826 174.990 0.250 0.000 1.449 829 C CA 0.173 59.282 59.018 0.152 0.000 1.588 829 C CB -1.787 26.034 27.740 0.136 0.000 2.514 829 C HN 0.841 nan 8.230 nan 0.000 0.606 830 Y N 1.992 122.342 120.300 0.083 0.000 2.851 830 Y HA 0.262 4.815 4.550 0.005 0.000 0.227 830 Y C 2.209 178.177 175.900 0.115 0.000 1.808 830 Y CA 0.348 58.503 58.100 0.092 0.000 1.167 830 Y CB -0.452 38.072 38.460 0.107 0.000 1.215 830 Y HN 0.563 nan 8.280 nan 0.000 0.533 831 S N -0.296 115.374 115.700 -0.051 0.000 2.474 831 S HA 0.204 4.677 4.470 0.005 0.000 0.235 831 S C 1.412 175.977 174.600 -0.057 0.000 0.997 831 S CA 1.245 59.425 58.200 -0.033 0.000 0.949 831 S CB -0.073 63.288 63.200 0.269 0.000 0.766 831 S HN 1.288 nan 8.310 nan 0.000 0.517 832 G N -0.111 108.683 108.800 -0.010 0.000 2.617 832 G HA2 -0.200 3.763 3.960 0.005 0.000 0.197 832 G HA3 -0.200 3.763 3.960 0.005 0.000 0.197 832 G C 0.548 175.384 174.900 -0.106 0.000 1.017 832 G CA -0.041 44.978 45.100 -0.135 0.000 0.713 832 G HN 0.482 nan 8.290 nan 0.000 0.481 833 Y N 2.555 122.901 120.300 0.078 0.000 2.616 833 Y HA 0.058 4.611 4.550 0.006 0.000 0.296 833 Y C 2.286 178.217 175.900 0.052 0.000 1.154 833 Y CA 1.168 59.292 58.100 0.041 0.000 1.325 833 Y CB 0.125 38.583 38.460 -0.003 0.000 1.007 833 Y HN 0.499 nan 8.280 nan 0.000 0.542 834 N N 0.190 119.010 118.700 0.199 0.000 2.313 834 N HA -0.027 4.716 4.740 0.005 0.000 0.207 834 N C -0.256 175.321 175.510 0.110 0.000 1.141 834 N CA 0.067 53.209 53.050 0.154 0.000 0.830 834 N CB 0.014 38.604 38.487 0.171 0.000 1.008 834 N HN 0.388 nan 8.380 nan 0.000 0.481 835 Q N 0.836 120.684 119.800 0.080 0.000 2.230 835 Q HA 0.169 4.513 4.340 0.005 0.000 0.248 835 Q C -0.624 175.395 176.000 0.031 0.000 0.915 835 Q CA -0.478 55.351 55.803 0.042 0.000 0.900 835 Q CB 0.941 29.677 28.738 -0.002 0.000 1.229 835 Q HN 0.161 nan 8.270 nan 0.000 0.439 836 E N 2.163 122.372 120.200 0.015 0.000 5.940 836 E HA -0.211 4.142 4.350 0.005 0.000 0.304 836 E C -1.147 175.470 176.600 0.029 0.000 1.429 836 E CA 0.387 56.794 56.400 0.011 0.000 1.225 836 E CB -0.606 29.092 29.700 -0.004 0.000 0.904 836 E HN 0.741 nan 8.360 nan 0.000 0.317 837 D N 1.426 121.848 120.400 0.037 0.000 6.217 837 D HA -0.129 4.514 4.640 0.005 0.000 0.207 837 D C 0.134 176.461 176.300 0.045 0.000 1.173 837 D CA 1.166 55.194 54.000 0.048 0.000 1.204 837 D CB -0.133 40.693 40.800 0.043 0.000 1.438 837 D HN 0.207 nan 8.370 nan 0.000 0.779 838 S N 0.147 115.879 115.700 0.053 0.000 2.664 838 S HA 0.834 5.307 4.470 0.005 0.000 0.304 838 S C -0.340 174.304 174.600 0.073 0.000 1.099 838 S CA -0.989 57.248 58.200 0.060 0.000 1.003 838 S CB 1.033 64.275 63.200 0.069 0.000 1.092 838 S HN 0.382 nan 8.310 nan 0.000 0.525 839 M N 2.112 121.753 119.600 0.068 0.000 2.520 839 M HA 0.569 5.053 4.480 0.005 0.000 0.280 839 M C -2.008 174.324 176.300 0.053 0.000 1.232 839 M CA -0.667 54.667 55.300 0.056 0.000 0.892 839 M CB 1.210 33.815 32.600 0.007 0.000 1.728 839 M HN 0.496 nan 8.290 nan 0.000 0.475 840 I N 2.004 122.617 120.570 0.071 0.000 3.210 840 I HA 0.784 4.957 4.170 0.005 0.000 0.316 840 I C -0.175 175.959 176.117 0.027 0.000 1.067 840 I CA -0.700 60.650 61.300 0.083 0.000 1.047 840 I CB 1.873 40.012 38.000 0.232 0.000 1.352 840 I HN 0.914 nan 8.210 nan 0.000 0.565 841 M N 1.400 121.031 119.600 0.051 0.000 2.895 841 M HA 0.356 4.839 4.480 0.005 0.000 0.271 841 M C -1.988 174.349 176.300 0.061 0.000 1.174 841 M CA -0.634 54.673 55.300 0.012 0.000 0.816 841 M CB 1.893 34.480 32.600 -0.020 0.000 1.647 841 M HN 0.440 nan 8.290 nan 0.000 0.506 842 N N 1.989 120.711 118.700 0.036 0.000 2.521 842 N HA 0.178 4.922 4.740 0.005 0.000 0.236 842 N C 0.265 175.808 175.510 0.055 0.000 1.067 842 N CA 0.084 53.168 53.050 0.055 0.000 0.939 842 N CB 1.139 39.639 38.487 0.021 0.000 1.201 842 N HN 0.651 nan 8.380 nan 0.000 0.511 843 Q N 1.960 121.803 119.800 0.073 0.000 2.133 843 Q HA -0.157 4.186 4.340 0.005 0.000 0.208 843 Q C 1.326 177.356 176.000 0.050 0.000 0.991 843 Q CA 1.721 57.559 55.803 0.058 0.000 0.867 843 Q CB -0.484 28.291 28.738 0.061 0.000 0.911 843 Q HN 0.593 nan 8.270 nan 0.000 0.417 844 S N -0.500 115.229 115.700 0.049 0.000 2.392 844 S HA -0.228 4.245 4.470 0.005 0.000 0.225 844 S C 1.944 176.556 174.600 0.021 0.000 1.041 844 S CA 1.690 59.909 58.200 0.032 0.000 1.100 844 S CB -0.658 62.558 63.200 0.026 0.000 1.029 844 S HN 0.609 nan 8.310 nan 0.000 0.424 845 S N 1.326 117.034 115.700 0.013 0.000 2.377 845 S HA -0.163 4.310 4.470 0.005 0.000 0.224 845 S C 1.783 176.393 174.600 0.017 0.000 1.042 845 S CA 1.643 59.841 58.200 -0.004 0.000 1.086 845 S CB -0.707 62.480 63.200 -0.022 0.000 0.995 845 S HN 0.463 nan 8.310 nan 0.000 0.428 846 I N 1.460 122.055 120.570 0.042 0.000 2.442 846 I HA -0.326 3.847 4.170 0.005 0.000 0.261 846 I C 1.461 177.624 176.117 0.076 0.000 1.132 846 I CA 1.379 62.726 61.300 0.078 0.000 1.412 846 I CB -0.237 37.813 38.000 0.083 0.000 1.091 846 I HN 0.247 nan 8.210 nan 0.000 0.448 847 D N -0.488 119.941 120.400 0.048 0.000 2.262 847 D HA -0.055 4.588 4.640 0.005 0.000 0.212 847 D C 2.047 178.364 176.300 0.030 0.000 0.964 847 D CA 0.743 54.769 54.000 0.043 0.000 0.875 847 D CB -0.048 40.770 40.800 0.030 0.000 0.996 847 D HN 0.430 nan 8.370 nan 0.000 0.497 848 R N -0.452 120.051 120.500 0.006 0.000 2.299 848 R HA 0.271 4.614 4.340 0.005 0.000 0.197 848 R C 0.827 177.107 176.300 -0.033 0.000 0.971 848 R CA 0.917 57.001 56.100 -0.026 0.000 1.030 848 R CB 0.339 30.607 30.300 -0.054 0.000 0.932 848 R HN 0.100 nan 8.270 nan 0.000 0.477 849 G N 0.975 109.790 108.800 0.026 0.000 2.276 849 G HA2 -0.130 3.833 3.960 0.005 0.000 0.177 849 G HA3 -0.130 3.833 3.960 0.005 0.000 0.177 849 G C -0.525 174.456 174.900 0.134 0.000 1.017 849 G CA -0.513 44.655 45.100 0.113 0.000 0.750 849 G HN 0.160 nan 8.290 nan 0.000 0.506 850 L N 0.844 122.100 121.223 0.055 0.000 2.410 850 L HA 0.692 5.036 4.340 0.005 0.000 0.273 850 L C 1.139 178.097 176.870 0.147 0.000 1.144 850 L CA 0.584 55.420 54.840 -0.007 0.000 0.863 850 L CB -0.437 41.573 42.059 -0.081 0.000 1.140 850 L HN 0.484 nan 8.230 nan 0.000 0.463 851 F N 2.447 122.448 119.950 0.086 0.000 2.988 851 F HA -0.290 4.240 4.527 0.005 0.000 0.287 851 F C 0.945 176.829 175.800 0.141 0.000 0.781 851 F CA 0.291 58.336 58.000 0.074 0.000 1.221 851 F CB -0.686 38.275 39.000 -0.066 0.000 1.392 851 F HN 0.585 nan 8.300 nan 0.000 0.425 852 R N 0.464 121.177 120.500 0.355 0.000 2.528 852 R HA 0.647 4.991 4.340 0.005 0.000 0.271 852 R C 0.196 176.543 176.300 0.078 0.000 1.056 852 R CA 0.429 56.688 56.100 0.265 0.000 1.117 852 R CB 1.603 32.201 30.300 0.498 0.000 1.085 852 R HN 0.182 nan 8.270 nan 0.000 0.530 853 S N 0.971 116.552 115.700 -0.198 0.000 2.618 853 S HA 0.467 4.941 4.470 0.005 0.000 0.277 853 S C -0.603 173.700 174.600 -0.494 0.000 1.138 853 S CA -1.050 56.967 58.200 -0.305 0.000 0.844 853 S CB 1.192 64.308 63.200 -0.140 0.000 1.127 853 S HN 0.319 nan 8.310 nan 0.000 0.474 854 L N 1.358 122.353 121.223 -0.380 0.000 2.399 854 L HA 0.531 4.874 4.340 0.005 0.000 0.266 854 L C -1.028 175.721 176.870 -0.201 0.000 1.114 854 L CA -0.576 54.074 54.840 -0.317 0.000 0.804 854 L CB 0.808 42.703 42.059 -0.273 0.000 1.146 854 L HN 0.659 nan 8.230 nan 0.000 0.451 855 F N 2.340 122.088 119.950 -0.337 0.000 2.444 855 F HA 0.428 4.958 4.527 0.006 0.000 0.342 855 F C -0.671 174.890 175.800 -0.399 0.000 1.121 855 F CA -1.146 56.709 58.000 -0.242 0.000 0.997 855 F CB 0.944 39.856 39.000 -0.147 0.000 1.130 855 F HN 0.092 nan 8.300 nan 0.000 0.454 856 F N 5.936 126.259 119.950 0.621 0.000 2.513 856 F HA 0.442 4.972 4.527 0.005 0.000 0.358 856 F C 0.216 176.132 175.800 0.193 0.000 1.118 856 F CA -0.682 57.480 58.000 0.271 0.000 1.037 856 F CB 0.931 40.044 39.000 0.188 0.000 1.276 856 F HN 0.257 nan 8.300 nan 0.000 0.446 857 R N 1.822 122.374 120.500 0.086 0.000 2.664 857 R HA 0.684 5.027 4.340 0.005 0.000 0.286 857 R C -0.777 175.421 176.300 -0.170 0.000 0.967 857 R CA -0.362 55.640 56.100 -0.163 0.000 0.933 857 R CB 2.252 32.250 30.300 -0.502 0.000 1.146 857 R HN 0.662 nan 8.270 nan 0.000 0.468 858 S N 1.741 117.262 115.700 -0.299 0.000 2.549 858 S HA 0.554 5.028 4.470 0.005 0.000 0.280 858 S C -1.358 172.992 174.600 -0.417 0.000 1.109 858 S CA -0.794 57.261 58.200 -0.243 0.000 0.905 858 S CB 1.312 64.469 63.200 -0.073 0.000 1.081 858 S HN 0.448 nan 8.310 nan 0.000 0.477 859 Y N 1.688 121.969 120.300 -0.031 0.000 2.446 859 Y HA 0.755 5.308 4.550 0.005 0.000 0.338 859 Y C 0.281 176.173 175.900 -0.013 0.000 1.055 859 Y CA -1.093 56.992 58.100 -0.025 0.000 1.101 859 Y CB 1.829 40.264 38.460 -0.043 0.000 1.221 859 Y HN 0.648 nan 8.280 nan 0.000 0.460 860 M N 2.824 122.524 119.600 0.167 0.000 2.446 860 M HA 0.450 4.933 4.480 0.005 0.000 0.294 860 M C -2.326 174.091 176.300 0.196 0.000 1.158 860 M CA -0.309 55.084 55.300 0.154 0.000 0.899 860 M CB 2.282 34.987 32.600 0.175 0.000 1.687 860 M HN 0.869 nan 8.290 nan 0.000 0.455 861 D N 2.390 122.939 120.400 0.250 0.000 2.706 861 D HA 0.386 5.030 4.640 0.005 0.000 0.225 861 D C -1.715 174.883 176.300 0.497 0.000 1.241 861 D CA 0.092 54.284 54.000 0.321 0.000 0.784 861 D CB 1.889 42.871 40.800 0.304 0.000 1.521 861 D HN 0.657 nan 8.370 nan 0.000 0.461 862 Q N 0.932 120.962 119.800 0.384 0.000 2.394 862 Q HA 0.548 4.891 4.340 0.005 0.000 0.273 862 Q C -0.717 175.326 176.000 0.071 0.000 1.089 862 Q CA -0.999 55.012 55.803 0.347 0.000 0.812 862 Q CB 2.226 31.121 28.738 0.260 0.000 1.353 862 Q HN 0.229 nan 8.270 nan 0.000 0.438 863 E N 2.528 122.685 120.200 -0.072 0.000 2.366 863 E HA 0.027 4.381 4.350 0.005 0.000 0.266 863 E C -0.420 176.119 176.600 -0.101 0.000 1.015 863 E CA 0.134 56.379 56.400 -0.258 0.000 0.906 863 E CB 0.490 30.021 29.700 -0.282 0.000 0.979 863 E HN 0.683 nan 8.360 nan 0.000 0.443 864 K N 2.892 123.230 120.400 -0.103 0.000 2.235 864 K HA -0.374 3.949 4.320 0.005 0.000 0.171 864 K C 0.317 176.917 176.600 -0.000 0.000 1.512 864 K CA 1.875 58.135 56.287 -0.045 0.000 0.674 864 K CB -0.480 31.990 32.500 -0.050 0.000 0.602 864 K HN 0.521 nan 8.250 nan 0.000 0.948 865 K N -3.526 116.891 120.400 0.028 0.000 3.105 865 K HA 0.165 4.488 4.320 0.005 0.000 0.209 865 K C -0.866 175.827 176.600 0.155 0.000 1.828 865 K CA 0.131 56.459 56.287 0.068 0.000 1.382 865 K CB 0.727 33.263 32.500 0.061 0.000 2.153 865 K HN 0.460 nan 8.250 nan 0.000 0.588 866 Y N -0.952 119.336 120.300 -0.021 0.000 2.624 866 Y HA 0.495 5.049 4.550 0.006 0.000 0.334 866 Y C -0.309 175.580 175.900 -0.019 0.000 1.155 866 Y CA 0.198 58.287 58.100 -0.019 0.000 1.046 866 Y CB 1.989 40.439 38.460 -0.017 0.000 1.316 866 Y HN 0.341 nan 8.280 nan 0.000 0.457 867 G N 1.802 110.117 108.800 -0.808 0.000 2.591 867 G HA2 0.156 4.119 3.960 0.005 0.000 0.104 867 G HA3 0.156 4.119 3.960 0.005 0.000 0.104 867 G C -0.657 173.881 174.900 -0.602 0.000 1.097 867 G CA 0.182 44.933 45.100 -0.581 0.000 1.076 867 G HN 0.710 nan 8.290 nan 0.000 0.485 868 M N -1.945 117.470 119.600 -0.308 0.000 1.498 868 M HA 0.129 4.612 4.480 0.005 0.000 0.195 868 M C 1.554 177.776 176.300 -0.131 0.000 0.960 868 M CA 0.919 56.092 55.300 -0.211 0.000 0.809 868 M CB 0.235 32.733 32.600 -0.170 0.000 1.719 868 M HN 0.395 nan 8.290 nan 0.000 0.655 869 S N 0.185 115.818 115.700 -0.112 0.000 2.514 869 S HA 0.412 4.885 4.470 0.005 0.000 0.223 869 S C 0.543 175.101 174.600 -0.071 0.000 1.046 869 S CA -0.189 57.965 58.200 -0.076 0.000 0.914 869 S CB 0.897 64.062 63.200 -0.059 0.000 0.807 869 S HN 0.266 nan 8.310 nan 0.000 0.497 870 I N 3.265 123.785 120.570 -0.083 0.000 2.471 870 I HA 0.181 4.354 4.170 0.005 0.000 0.286 870 I C -0.556 175.513 176.117 -0.081 0.000 1.079 870 I CA 0.640 61.897 61.300 -0.072 0.000 1.398 870 I CB 1.034 38.997 38.000 -0.062 0.000 1.403 870 I HN 0.107 nan 8.210 nan 0.000 0.530 871 T N 5.342 119.855 114.554 -0.068 0.000 3.032 871 T HA 0.245 4.598 4.350 0.005 0.000 0.312 871 T C -0.533 174.121 174.700 -0.077 0.000 1.078 871 T CA -0.790 61.267 62.100 -0.072 0.000 1.028 871 T CB 1.700 70.529 68.868 -0.066 0.000 1.091 871 T HN 0.468 nan 8.240 nan 0.000 0.457 872 E N 1.295 121.437 120.200 -0.097 0.000 2.369 872 E HA 0.570 4.923 4.350 0.005 0.000 0.255 872 E C -0.346 176.149 176.600 -0.175 0.000 1.172 872 E CA -0.421 55.903 56.400 -0.127 0.000 0.932 872 E CB 0.759 30.373 29.700 -0.144 0.000 1.040 872 E HN 0.507 nan 8.360 nan 0.000 0.454 873 T N 1.098 115.542 114.554 -0.184 0.000 2.933 873 T HA 0.328 4.681 4.350 0.005 0.000 0.305 873 T C -0.781 173.820 174.700 -0.165 0.000 1.092 873 T CA -0.675 61.322 62.100 -0.172 0.000 1.008 873 T CB 0.470 69.305 68.868 -0.054 0.000 1.102 873 T HN 0.231 nan 8.240 nan 0.000 0.469 874 F N 2.978 122.940 119.950 0.020 0.000 2.438 874 F HA 0.481 5.009 4.527 0.002 0.000 0.356 874 F C 1.095 176.904 175.800 0.015 0.000 1.099 874 F CA -0.177 57.834 58.000 0.017 0.000 1.185 874 F CB 0.604 39.611 39.000 0.013 0.000 1.115 874 F HN 0.652 nan 8.300 nan 0.000 0.526 875 E N 1.286 121.617 120.200 0.219 0.000 2.393 875 E HA 0.139 4.493 4.350 0.005 0.000 0.282 875 E C -1.707 174.961 176.600 0.114 0.000 1.096 875 E CA -1.281 55.193 56.400 0.124 0.000 0.866 875 E CB 0.911 30.659 29.700 0.081 0.000 1.232 875 E HN 0.400 nan 8.360 nan 0.000 0.431 876 K N 2.688 123.142 120.400 0.089 0.000 2.315 876 K HA 0.243 4.566 4.320 0.005 0.000 0.291 876 K C -2.002 174.636 176.600 0.064 0.000 1.074 876 K CA -1.531 54.819 56.287 0.104 0.000 0.936 876 K CB 0.401 32.952 32.500 0.085 0.000 1.049 876 K HN 0.372 nan 8.250 nan 0.000 0.471 877 P HA 0.074 nan 4.420 nan 0.000 0.276 877 P C -0.934 176.288 177.300 -0.130 0.000 1.244 877 P CA -0.188 62.882 63.100 -0.049 0.000 0.801 877 P CB 1.289 32.944 31.700 -0.075 0.000 1.006 878 Q N 0.004 119.739 119.800 -0.108 0.000 3.096 878 Q HA 0.471 4.814 4.340 0.005 0.000 0.247 878 Q C 0.706 176.647 176.000 -0.098 0.000 1.098 878 Q CA -0.781 54.960 55.803 -0.104 0.000 0.536 878 Q CB 0.333 29.041 28.738 -0.050 0.000 4.614 878 Q HN -0.001 nan 8.270 nan 0.000 0.294 879 R N 0.499 120.964 120.500 -0.059 0.000 0.642 879 R HA 0.216 4.560 4.340 0.005 0.000 0.048 879 R C -0.325 175.952 176.300 -0.040 0.000 0.504 879 R CA 1.567 57.639 56.100 -0.046 0.000 2.167 879 R CB -0.688 29.595 30.300 -0.029 0.000 0.523 879 R HN 0.852 nan 8.270 nan 0.000 0.801 880 T N 1.244 115.782 114.554 -0.027 0.000 4.223 880 T HA -0.122 4.232 4.350 0.005 0.000 0.347 880 T C -0.898 173.788 174.700 -0.022 0.000 0.755 880 T CA 0.579 62.666 62.100 -0.022 0.000 1.967 880 T CB -1.990 66.865 68.868 -0.021 0.000 1.861 880 T HN 0.731 nan 8.240 nan 0.000 0.898 881 N N -1.231 117.457 118.700 -0.020 0.000 2.667 881 N HA -0.180 4.563 4.740 0.005 0.000 0.263 881 N C 0.707 176.205 175.510 -0.021 0.000 1.038 881 N CA 1.499 54.538 53.050 -0.018 0.000 0.749 881 N CB -1.231 37.248 38.487 -0.013 0.000 0.892 881 N HN 0.834 nan 8.380 nan 0.000 0.546 882 T N -0.950 113.587 114.554 -0.028 0.000 3.176 882 T HA 0.131 4.484 4.350 0.005 0.000 0.259 882 T C 0.798 175.479 174.700 -0.032 0.000 0.978 882 T CA 0.606 62.687 62.100 -0.033 0.000 1.050 882 T CB -0.062 68.777 68.868 -0.048 0.000 1.136 882 T HN 0.484 nan 8.240 nan 0.000 0.465 883 L N 2.168 123.367 121.223 -0.039 0.000 4.341 883 L HA -0.133 4.210 4.340 0.005 0.000 0.487 883 L C -0.022 176.839 176.870 -0.016 0.000 1.044 883 L CA 0.630 55.454 54.840 -0.026 0.000 0.641 883 L CB -1.552 40.500 42.059 -0.012 0.000 1.535 883 L HN 0.201 nan 8.230 nan 0.000 0.745 884 R N -0.235 120.252 120.500 -0.022 0.000 2.903 884 R HA 0.383 4.727 4.340 0.005 0.000 0.363 884 R C 0.525 176.820 176.300 -0.008 0.000 1.161 884 R CA -0.797 55.300 56.100 -0.005 0.000 1.109 884 R CB 0.427 30.728 30.300 0.003 0.000 1.399 884 R HN 0.415 nan 8.270 nan 0.000 0.587 885 M N 0.707 120.281 119.600 -0.043 0.000 1.658 885 M HA 0.005 4.489 4.480 0.005 0.000 0.094 885 M C 1.609 177.935 176.300 0.043 0.000 1.024 885 M CA 0.907 56.141 55.300 -0.110 0.000 0.474 885 M CB 0.140 32.583 32.600 -0.261 0.000 0.695 885 M HN -0.108 nan 8.290 nan 0.000 0.264 886 K N -1.274 119.187 120.400 0.101 0.000 2.323 886 K HA 0.186 4.510 4.320 0.005 0.000 0.232 886 K C 0.965 177.708 176.600 0.237 0.000 1.068 886 K CA 0.528 56.934 56.287 0.198 0.000 0.892 886 K CB -0.295 32.365 32.500 0.266 0.000 1.207 886 K HN 0.534 nan 8.250 nan 0.000 0.456 887 H N -0.503 118.650 119.070 0.138 0.000 2.023 887 H HA 0.261 4.820 4.556 0.006 0.000 0.345 887 H C 0.040 175.416 175.328 0.080 0.000 2.037 887 H CA 0.713 56.874 56.048 0.189 0.000 1.367 887 H CB -0.248 29.611 29.762 0.162 0.000 1.630 887 H HN 0.487 nan 8.280 nan 0.000 0.505 888 G N 0.249 109.161 108.800 0.187 0.000 3.322 888 G HA2 -0.183 3.780 3.960 0.005 0.000 0.686 888 G HA3 -0.183 3.780 3.960 0.005 0.000 0.686 888 G C -0.526 174.478 174.900 0.173 0.000 1.015 888 G CA -0.396 44.745 45.100 0.068 0.000 0.826 888 G HN 0.576 nan 8.290 nan 0.000 0.538 889 T N 3.096 117.698 114.554 0.080 0.000 2.727 889 T HA 0.350 4.704 4.350 0.005 0.000 0.295 889 T C 0.810 175.543 174.700 0.056 0.000 0.915 889 T CA 0.191 62.382 62.100 0.151 0.000 1.066 889 T CB 0.597 69.513 68.868 0.080 0.000 0.891 889 T HN 0.443 nan 8.240 nan 0.000 0.516 890 Y N 0.825 121.143 120.300 0.030 0.000 2.471 890 Y HA 0.094 4.647 4.550 0.004 0.000 0.286 890 Y C 1.878 177.777 175.900 -0.001 0.000 1.188 890 Y CA -0.268 57.814 58.100 -0.031 0.000 1.286 890 Y CB 0.095 38.499 38.460 -0.093 0.000 1.072 890 Y HN 0.592 nan 8.280 nan 0.000 0.517 891 D N -0.382 120.102 120.400 0.140 0.000 2.355 891 D HA -0.057 4.586 4.640 0.005 0.000 0.218 891 D C 1.618 177.942 176.300 0.040 0.000 1.004 891 D CA 0.568 54.620 54.000 0.087 0.000 0.880 891 D CB 0.386 41.233 40.800 0.078 0.000 0.911 891 D HN 0.274 nan 8.370 nan 0.000 0.528 892 K N 0.140 120.548 120.400 0.014 0.000 2.314 892 K HA 0.107 4.430 4.320 0.005 0.000 0.198 892 K C 1.103 177.690 176.600 -0.023 0.000 1.045 892 K CA 0.075 56.353 56.287 -0.015 0.000 0.988 892 K CB 0.555 33.030 32.500 -0.042 0.000 0.783 892 K HN 0.199 nan 8.250 nan 0.000 0.484 893 L N 1.476 122.688 121.223 -0.018 0.000 2.436 893 L HA 0.070 4.413 4.340 0.005 0.000 0.265 893 L C 0.579 177.451 176.870 0.002 0.000 1.168 893 L CA -0.322 54.507 54.840 -0.018 0.000 0.815 893 L CB 0.240 42.294 42.059 -0.008 0.000 1.109 893 L HN -0.040 nan 8.230 nan 0.000 0.462 894 D N 0.195 120.591 120.400 -0.006 0.000 2.149 894 D HA -0.051 4.592 4.640 0.005 0.000 0.291 894 D C 0.763 177.071 176.300 0.014 0.000 1.134 894 D CA -0.015 53.986 54.000 0.002 0.000 1.056 894 D CB 0.263 41.058 40.800 -0.008 0.000 1.151 894 D HN 0.673 nan 8.370 nan 0.000 0.479 895 D N -1.279 119.128 120.400 0.012 0.000 2.301 895 D HA -0.044 4.600 4.640 0.005 0.000 0.206 895 D C 0.220 176.539 176.300 0.030 0.000 0.979 895 D CA 0.486 54.499 54.000 0.021 0.000 0.874 895 D CB 0.049 40.860 40.800 0.017 0.000 0.968 895 D HN 0.302 nan 8.370 nan 0.000 0.510 896 D N -1.500 118.915 120.400 0.025 0.000 2.395 896 D HA 0.236 4.880 4.640 0.005 0.000 0.226 896 D C 1.428 177.755 176.300 0.044 0.000 1.146 896 D CA 0.362 54.388 54.000 0.042 0.000 0.830 896 D CB 0.028 40.846 40.800 0.031 0.000 0.958 896 D HN 0.142 nan 8.370 nan 0.000 0.501 897 G N -0.089 108.732 108.800 0.035 0.000 2.184 897 G HA2 -0.283 3.680 3.960 0.005 0.000 0.264 897 G HA3 -0.283 3.680 3.960 0.005 0.000 0.264 897 G C -0.017 174.858 174.900 -0.041 0.000 0.975 897 G CA 0.427 45.548 45.100 0.036 0.000 0.642 897 G HN 0.426 nan 8.290 nan 0.000 0.536 898 L N 1.311 122.487 121.223 -0.079 0.000 2.295 898 L HA 0.603 4.946 4.340 0.005 0.000 0.285 898 L C 1.179 177.999 176.870 -0.084 0.000 1.035 898 L CA -1.243 53.523 54.840 -0.125 0.000 0.806 898 L CB 1.309 43.267 42.059 -0.168 0.000 1.214 898 L HN 0.060 nan 8.230 nan 0.000 0.426 899 I N 1.702 122.219 120.570 -0.088 0.000 3.004 899 I HA 0.319 4.492 4.170 0.005 0.000 0.287 899 I C 0.726 176.807 176.117 -0.059 0.000 1.144 899 I CA -0.177 61.084 61.300 -0.066 0.000 1.353 899 I CB 0.676 38.634 38.000 -0.069 0.000 1.417 899 I HN 0.673 nan 8.210 nan 0.000 0.602 900 A N 4.479 127.274 122.820 -0.042 0.000 2.306 900 A HA 0.689 5.012 4.320 0.005 0.000 0.330 900 A C -2.505 175.064 177.584 -0.026 0.000 1.146 900 A CA -1.778 50.238 52.037 -0.035 0.000 0.827 900 A CB 0.399 19.384 19.000 -0.026 0.000 1.178 900 A HN 0.419 nan 8.150 nan 0.000 0.490 901 P HA 0.348 nan 4.420 nan 0.000 0.268 901 P C 1.001 178.300 177.300 -0.001 0.000 1.204 901 P CA 1.716 64.812 63.100 -0.006 0.000 0.768 901 P CB 0.914 32.611 31.700 -0.004 0.000 0.842 902 G N 1.013 109.816 108.800 0.005 0.000 2.659 902 G HA2 -0.202 3.761 3.960 0.005 0.000 0.202 902 G HA3 -0.202 3.761 3.960 0.005 0.000 0.202 902 G C -0.014 174.887 174.900 0.001 0.000 1.186 902 G CA -0.205 44.899 45.100 0.006 0.000 0.783 902 G HN 0.524 nan 8.290 nan 0.000 0.521 903 V N 2.410 122.320 119.914 -0.006 0.000 2.788 903 V HA 0.342 4.465 4.120 0.005 0.000 0.307 903 V C 1.170 177.255 176.094 -0.014 0.000 1.069 903 V CA 0.379 62.672 62.300 -0.011 0.000 1.173 903 V CB 1.147 32.958 31.823 -0.019 0.000 0.925 903 V HN 0.500 nan 8.190 nan 0.000 0.492 904 R N 2.432 122.923 120.500 -0.014 0.000 2.254 904 R HA 0.588 4.931 4.340 0.005 0.000 0.318 904 R C -0.601 175.682 176.300 -0.028 0.000 1.031 904 R CA -0.343 55.747 56.100 -0.016 0.000 0.905 904 R CB 1.430 31.725 30.300 -0.010 0.000 1.050 904 R HN 0.739 nan 8.270 nan 0.000 0.456 905 V N -0.504 119.388 119.914 -0.037 0.000 2.960 905 V HA 0.837 4.960 4.120 0.005 0.000 0.315 905 V C -0.449 175.615 176.094 -0.051 0.000 1.087 905 V CA -0.553 61.714 62.300 -0.054 0.000 0.982 905 V CB 2.286 34.059 31.823 -0.083 0.000 1.039 905 V HN 0.679 nan 8.190 nan 0.000 0.437 906 S N 0.624 116.291 115.700 -0.055 0.000 2.543 906 S HA 0.791 5.264 4.470 0.005 0.000 0.274 906 S C 0.289 174.862 174.600 -0.046 0.000 1.149 906 S CA 0.433 58.606 58.200 -0.044 0.000 0.866 906 S CB 1.218 64.402 63.200 -0.027 0.000 1.111 906 S HN 2.439 nan 8.310 nan 0.000 0.457 907 G N 2.514 111.290 108.800 -0.039 0.000 2.574 907 G HA2 -0.264 3.700 3.960 0.005 0.000 0.301 907 G HA3 -0.264 3.700 3.960 0.005 0.000 0.301 907 G C -0.064 174.804 174.900 -0.052 0.000 1.166 907 G CA 0.795 45.875 45.100 -0.034 0.000 0.971 907 G HN 0.715 nan 8.290 nan 0.000 0.542 908 E N 1.696 121.865 120.200 -0.051 0.000 2.939 908 E HA 0.368 4.721 4.350 0.005 0.000 0.215 908 E C -0.716 175.825 176.600 -0.097 0.000 1.025 908 E CA -0.216 56.142 56.400 -0.070 0.000 1.259 908 E CB 0.070 29.746 29.700 -0.040 0.000 1.228 908 E HN 0.495 nan 8.360 nan 0.000 0.443 909 D N -0.086 120.245 120.400 -0.115 0.000 2.368 909 D HA 0.018 4.661 4.640 0.005 0.000 0.240 909 D C -0.135 176.026 176.300 -0.232 0.000 1.169 909 D CA 0.010 53.921 54.000 -0.149 0.000 0.906 909 D CB 1.098 41.823 40.800 -0.125 0.000 1.187 909 D HN -0.092 nan 8.370 nan 0.000 0.435 910 V N 2.195 121.921 119.914 -0.314 0.000 2.686 910 V HA 0.103 4.227 4.120 0.005 0.000 0.295 910 V C 1.121 177.046 176.094 -0.282 0.000 1.055 910 V CA 0.130 62.195 62.300 -0.392 0.000 1.050 910 V CB 1.039 32.455 31.823 -0.678 0.000 0.984 910 V HN 0.494 nan 8.190 nan 0.000 0.482 911 I N 3.335 123.743 120.570 -0.270 0.000 3.718 911 I HA 0.312 4.485 4.170 0.005 0.000 0.297 911 I C 0.167 176.176 176.117 -0.180 0.000 1.220 911 I CA 0.620 61.782 61.300 -0.230 0.000 1.381 911 I CB 0.391 38.212 38.000 -0.299 0.000 1.238 911 I HN 0.404 nan 8.210 nan 0.000 0.448 912 I N 1.038 121.513 120.570 -0.158 0.000 2.499 912 I HA 0.463 4.636 4.170 0.005 0.000 0.288 912 I C -0.104 176.015 176.117 0.004 0.000 1.048 912 I CA -0.639 60.606 61.300 -0.092 0.000 1.062 912 I CB 1.880 39.826 38.000 -0.089 0.000 1.238 912 I HN -0.074 nan 8.210 nan 0.000 0.426 913 G N 5.233 114.074 108.800 0.069 0.000 2.377 913 G HA2 0.552 4.516 3.960 0.005 0.000 0.316 913 G HA3 0.552 4.516 3.960 0.005 0.000 0.316 913 G C -0.824 174.219 174.900 0.239 0.000 1.115 913 G CA -0.348 44.843 45.100 0.151 0.000 0.952 913 G HN 0.578 nan 8.290 nan 0.000 0.441 914 K N 1.173 121.691 120.400 0.196 0.000 2.477 914 K HA 0.739 5.062 4.320 0.005 0.000 0.255 914 K C -0.810 175.826 176.600 0.060 0.000 0.952 914 K CA -0.673 55.692 56.287 0.130 0.000 0.826 914 K CB 2.187 34.749 32.500 0.103 0.000 1.331 914 K HN 0.559 nan 8.250 nan 0.000 0.437 915 T N -1.318 113.238 114.554 0.004 0.000 2.912 915 T HA 0.291 4.644 4.350 0.005 0.000 0.299 915 T C -0.717 173.965 174.700 -0.031 0.000 1.052 915 T CA -0.750 61.347 62.100 -0.004 0.000 0.996 915 T CB 1.705 70.571 68.868 -0.003 0.000 1.070 915 T HN 0.388 nan 8.240 nan 0.000 0.465 916 T N 2.843 117.383 114.554 -0.023 0.000 2.771 916 T HA 0.531 4.885 4.350 0.005 0.000 0.281 916 T C -2.540 172.145 174.700 -0.025 0.000 0.982 916 T CA -2.162 59.921 62.100 -0.029 0.000 0.978 916 T CB 0.673 69.528 68.868 -0.023 0.000 0.930 916 T HN 0.373 nan 8.240 nan 0.000 0.447 917 P HA 0.228 nan 4.420 nan 0.000 0.228 917 P C -0.215 177.072 177.300 -0.022 0.000 1.748 917 P CA -0.527 62.558 63.100 -0.025 0.000 0.909 917 P CB -0.536 31.146 31.700 -0.029 0.000 1.882 918 I N 1.529 122.089 120.570 -0.018 0.000 2.664 918 I HA 0.015 4.188 4.170 0.005 0.000 0.284 918 I C 1.042 177.151 176.117 -0.013 0.000 1.154 918 I CA 0.501 61.793 61.300 -0.014 0.000 1.402 918 I CB -0.858 37.136 38.000 -0.010 0.000 1.395 918 I HN 0.182 nan 8.210 nan 0.000 0.545 934 K N 1.485 121.873 120.400 -0.019 0.000 2.249 934 K HA 0.544 4.867 4.320 0.005 0.000 0.280 934 K C 0.355 176.944 176.600 -0.019 0.000 1.033 934 K CA -0.549 55.727 56.287 -0.019 0.000 0.946 934 K CB 0.674 33.162 32.500 -0.019 0.000 1.005 934 K HN 0.747 nan 8.250 nan 0.000 0.469 935 R N 0.337 120.828 120.500 -0.015 0.000 2.668 935 R HA 0.284 4.627 4.340 0.005 0.000 0.279 935 R C -0.753 175.545 176.300 -0.004 0.000 0.976 935 R CA -0.943 55.150 56.100 -0.012 0.000 0.978 935 R CB 0.805 31.101 30.300 -0.008 0.000 1.133 935 R HN 0.510 nan 8.270 nan 0.000 0.484 936 D N 0.728 121.129 120.400 0.002 0.000 2.400 936 D HA 0.232 4.876 4.640 0.005 0.000 0.238 936 D C -0.191 176.133 176.300 0.041 0.000 1.157 936 D CA 0.522 54.539 54.000 0.028 0.000 0.889 936 D CB 1.274 42.097 40.800 0.040 0.000 1.199 936 D HN 0.685 nan 8.370 nan 0.000 0.436 937 A N 1.765 124.622 122.820 0.062 0.000 2.716 937 A HA 0.208 4.531 4.320 0.005 0.000 0.252 937 A C 0.415 178.042 177.584 0.071 0.000 1.144 937 A CA -0.356 51.714 52.037 0.054 0.000 0.995 937 A CB -0.093 18.926 19.000 0.032 0.000 1.252 937 A HN 0.394 nan 8.150 nan 0.000 0.593 938 S N 2.353 118.106 115.700 0.089 0.000 2.558 938 S HA 0.305 4.779 4.470 0.005 0.000 0.291 938 S C 0.598 175.193 174.600 -0.009 0.000 1.306 938 S CA 0.763 58.991 58.200 0.047 0.000 1.056 938 S CB 0.318 63.519 63.200 0.003 0.000 0.836 938 S HN 0.605 nan 8.310 nan 0.000 0.504 939 T N 3.288 117.824 114.554 -0.031 0.000 2.771 939 T HA 0.513 4.866 4.350 0.005 0.000 0.291 939 T C -2.523 172.074 174.700 -0.172 0.000 0.954 939 T CA -1.675 60.384 62.100 -0.068 0.000 1.045 939 T CB 1.050 69.899 68.868 -0.031 0.000 0.917 939 T HN 0.307 nan 8.240 nan 0.000 0.484 940 P HA 0.420 nan 4.420 nan 0.000 0.287 940 P C 0.054 177.151 177.300 -0.339 0.000 1.296 940 P CA -1.030 61.926 63.100 -0.240 0.000 0.811 940 P CB 0.692 32.291 31.700 -0.170 0.000 1.211 941 L N 0.433 121.450 121.223 -0.343 0.000 2.416 941 L HA 0.187 4.530 4.340 0.005 0.000 0.212 941 L C 0.751 177.482 176.870 -0.233 0.000 1.200 941 L CA 0.219 54.810 54.840 -0.416 0.000 0.841 941 L CB -0.381 41.523 42.059 -0.258 0.000 1.299 941 L HN 0.232 nan 8.230 nan 0.000 0.538 942 R N 0.007 120.448 120.500 -0.098 0.000 2.679 942 R HA 0.141 4.485 4.340 0.005 0.000 0.269 942 R C 1.345 177.625 176.300 -0.033 0.000 1.076 942 R CA 0.360 56.457 56.100 -0.004 0.000 1.160 942 R CB 0.471 30.802 30.300 0.052 0.000 1.054 942 R HN 0.794 nan 8.270 nan 0.000 0.507 943 S N 0.341 116.030 115.700 -0.019 0.000 2.399 943 S HA -0.149 4.324 4.470 0.005 0.000 0.231 943 S C 1.704 176.298 174.600 -0.011 0.000 1.022 943 S CA 1.969 60.159 58.200 -0.016 0.000 0.983 943 S CB -0.019 63.177 63.200 -0.007 0.000 0.803 943 S HN 0.767 nan 8.310 nan 0.000 0.480 944 T N 0.150 114.698 114.554 -0.009 0.000 3.044 944 T HA 0.176 4.529 4.350 0.005 0.000 0.255 944 T C 0.943 175.637 174.700 -0.011 0.000 1.073 944 T CA 0.380 62.478 62.100 -0.003 0.000 1.125 944 T CB 0.094 68.963 68.868 0.001 0.000 0.908 944 T HN 0.384 nan 8.240 nan 0.000 0.480 945 E N 1.238 121.424 120.200 -0.025 0.000 4.145 945 E HA 0.381 4.734 4.350 0.005 0.000 0.483 945 E C -0.374 176.202 176.600 -0.040 0.000 0.739 945 E CA -0.308 56.069 56.400 -0.038 0.000 2.968 945 E CB 0.414 30.080 29.700 -0.056 0.000 2.129 945 E HN 0.577 nan 8.360 nan 0.000 0.614 946 N N -1.189 117.480 118.700 -0.052 0.000 6.554 946 N HA 0.124 4.868 4.740 0.005 0.000 0.159 946 N C -0.725 174.757 175.510 -0.048 0.000 1.021 946 N CA 0.339 53.363 53.050 -0.044 0.000 0.943 946 N CB -0.546 37.925 38.487 -0.027 0.000 1.666 946 N HN 0.804 nan 8.380 nan 0.000 0.686 947 G N 0.070 108.848 108.800 -0.038 0.000 2.325 947 G HA2 0.334 4.297 3.960 0.005 0.000 0.285 947 G HA3 0.334 4.297 3.960 0.005 0.000 0.285 947 G C -1.993 172.891 174.900 -0.026 0.000 1.303 947 G CA -0.356 44.723 45.100 -0.035 0.000 0.970 947 G HN 0.701 nan 8.290 nan 0.000 0.490 948 I N 0.630 121.189 120.570 -0.019 0.000 2.389 948 I HA 0.432 4.605 4.170 0.005 0.000 0.288 948 I C 0.713 176.839 176.117 0.015 0.000 0.999 948 I CA -0.779 60.519 61.300 -0.003 0.000 1.129 948 I CB 1.821 39.824 38.000 0.005 0.000 1.288 948 I HN 0.396 nan 8.210 nan 0.000 0.444 949 V N 6.320 126.239 119.914 0.009 0.000 2.486 949 V HA -0.095 4.029 4.120 0.005 0.000 0.290 949 V C 1.162 177.279 176.094 0.039 0.000 0.991 949 V CA 0.684 62.995 62.300 0.018 0.000 1.142 949 V CB 0.046 31.863 31.823 -0.009 0.000 0.926 949 V HN 0.846 nan 8.190 nan 0.000 0.472 950 D N 3.528 123.972 120.400 0.074 0.000 2.269 950 D HA 0.055 4.698 4.640 0.005 0.000 0.220 950 D C 0.595 176.925 176.300 0.049 0.000 0.962 950 D CA 0.855 54.916 54.000 0.103 0.000 0.884 950 D CB 0.721 41.660 40.800 0.231 0.000 1.023 950 D HN 0.674 nan 8.370 nan 0.000 0.484 951 Q N 0.009 119.824 119.800 0.026 0.000 2.403 951 Q HA 0.323 4.666 4.340 0.005 0.000 0.267 951 Q C -1.760 174.220 176.000 -0.033 0.000 0.991 951 Q CA -0.494 55.300 55.803 -0.014 0.000 0.906 951 Q CB 3.227 31.945 28.738 -0.034 0.000 1.422 951 Q HN -0.135 nan 8.270 nan 0.000 0.400 952 V N 3.190 123.071 119.914 -0.056 0.000 2.384 952 V HA 0.379 4.503 4.120 0.005 0.000 0.287 952 V C -0.763 175.267 176.094 -0.108 0.000 1.020 952 V CA -0.613 61.634 62.300 -0.088 0.000 0.850 952 V CB 1.553 33.316 31.823 -0.100 0.000 0.987 952 V HN 0.566 nan 8.190 nan 0.000 0.436 953 L N 7.264 128.403 121.223 -0.140 0.000 2.275 953 L HA 0.647 4.990 4.340 0.005 0.000 0.288 953 L C -0.445 176.285 176.870 -0.232 0.000 1.046 953 L CA 0.224 54.966 54.840 -0.163 0.000 0.805 953 L CB 1.618 43.577 42.059 -0.166 0.000 1.193 953 L HN 0.422 nan 8.230 nan 0.000 0.426 954 V N 5.332 125.137 119.914 -0.182 0.000 2.376 954 V HA 0.673 4.796 4.120 0.005 0.000 0.287 954 V C 0.000 176.025 176.094 -0.115 0.000 1.015 954 V CA -0.232 61.960 62.300 -0.179 0.000 0.834 954 V CB 1.185 32.937 31.823 -0.118 0.000 1.001 954 V HN 0.990 nan 8.190 nan 0.000 0.428 955 T N 2.029 116.504 114.554 -0.131 0.000 2.626 955 T HA 0.535 4.889 4.350 0.005 0.000 0.279 955 T C -0.553 174.275 174.700 0.214 0.000 0.983 955 T CA -0.593 61.529 62.100 0.038 0.000 1.059 955 T CB 2.167 71.088 68.868 0.088 0.000 1.396 955 T HN 0.460 nan 8.240 nan 0.000 0.519 956 T N 1.449 116.169 114.554 0.276 0.000 2.886 956 T HA 0.496 4.849 4.350 0.005 0.000 0.292 956 T C -0.363 174.472 174.700 0.224 0.000 1.012 956 T CA -0.571 61.689 62.100 0.268 0.000 0.982 956 T CB 1.369 70.320 68.868 0.138 0.000 1.018 956 T HN 0.569 nan 8.240 nan 0.000 0.451 957 N N 1.331 120.102 118.700 0.117 0.000 2.381 957 N HA 0.136 4.879 4.740 0.005 0.000 0.254 957 N C 1.520 177.026 175.510 -0.005 0.000 1.264 957 N CA -0.287 52.725 53.050 -0.063 0.000 0.942 957 N CB 0.672 39.038 38.487 -0.202 0.000 1.190 957 N HN 0.645 nan 8.380 nan 0.000 0.495 958 Q N -0.073 119.715 119.800 -0.019 0.000 2.112 958 Q HA -0.257 4.086 4.340 0.005 0.000 0.206 958 Q C 0.553 176.558 176.000 0.008 0.000 0.987 958 Q CA 1.802 57.610 55.803 0.008 0.000 0.858 958 Q CB 0.019 28.765 28.738 0.013 0.000 0.905 958 Q HN 0.661 nan 8.270 nan 0.000 0.420 959 D N -1.747 118.650 120.400 -0.004 0.000 2.117 959 D HA -0.089 4.554 4.640 0.005 0.000 0.197 959 D C 1.111 177.424 176.300 0.022 0.000 0.987 959 D CA 1.760 55.766 54.000 0.009 0.000 0.829 959 D CB 0.217 41.020 40.800 0.005 0.000 0.961 959 D HN 0.542 nan 8.370 nan 0.000 0.460 960 G N -0.576 108.239 108.800 0.025 0.000 2.276 960 G HA2 -0.138 3.825 3.960 0.005 0.000 0.177 960 G HA3 -0.138 3.825 3.960 0.005 0.000 0.177 960 G C -0.016 174.919 174.900 0.059 0.000 1.017 960 G CA -0.302 44.822 45.100 0.040 0.000 0.750 960 G HN 0.202 nan 8.290 nan 0.000 0.506 961 L N 1.486 122.747 121.223 0.064 0.000 2.369 961 L HA 0.382 4.725 4.340 0.005 0.000 0.279 961 L C 0.998 177.992 176.870 0.206 0.000 1.108 961 L CA -0.500 54.400 54.840 0.100 0.000 0.852 961 L CB 0.956 43.058 42.059 0.072 0.000 1.169 961 L HN 0.179 nan 8.230 nan 0.000 0.452 962 K N 5.514 126.032 120.400 0.197 0.000 2.245 962 K HA 0.114 4.438 4.320 0.005 0.000 0.281 962 K C -0.712 176.138 176.600 0.417 0.000 1.079 962 K CA -0.035 56.408 56.287 0.260 0.000 1.000 962 K CB -0.166 32.453 32.500 0.199 0.000 1.038 962 K HN 0.465 nan 8.250 nan 0.000 0.430 963 F N 3.775 123.840 119.950 0.191 0.000 2.520 963 F HA 0.545 5.074 4.527 0.005 0.000 0.322 963 F C -0.745 175.129 175.800 0.124 0.000 1.103 963 F CA -1.294 56.845 58.000 0.232 0.000 0.926 963 F CB 1.099 40.194 39.000 0.158 0.000 1.154 963 F HN 0.116 nan 8.300 nan 0.000 0.453 964 V N 1.719 121.417 119.914 -0.359 0.000 2.966 964 V HA 0.669 4.792 4.120 0.005 0.000 0.317 964 V C -0.987 174.803 176.094 -0.507 0.000 1.070 964 V CA -0.925 61.063 62.300 -0.521 0.000 1.008 964 V CB 1.839 33.371 31.823 -0.485 0.000 1.070 964 V HN 0.939 nan 8.190 nan 0.000 0.457 965 K N 2.312 122.482 120.400 -0.383 0.000 2.541 965 K HA 0.654 4.977 4.320 0.005 0.000 0.250 965 K C -1.851 174.678 176.600 -0.119 0.000 0.950 965 K CA -0.581 55.595 56.287 -0.184 0.000 0.805 965 K CB 2.454 34.866 32.500 -0.148 0.000 1.166 965 K HN 0.636 nan 8.250 nan 0.000 0.430 966 V N 3.408 123.300 119.914 -0.036 0.000 2.384 966 V HA 0.385 4.508 4.120 0.005 0.000 0.287 966 V C -0.155 175.983 176.094 0.074 0.000 1.020 966 V CA -0.809 61.490 62.300 -0.000 0.000 0.850 966 V CB 1.478 33.300 31.823 -0.003 0.000 0.987 966 V HN 0.616 nan 8.190 nan 0.000 0.436 967 R N 3.938 124.468 120.500 0.049 0.000 2.294 967 R HA 0.735 5.079 4.340 0.005 0.000 0.319 967 R C -1.537 174.847 176.300 0.139 0.000 0.984 967 R CA -0.292 55.861 56.100 0.089 0.000 0.861 967 R CB 1.642 31.972 30.300 0.050 0.000 1.104 967 R HN 0.521 nan 8.270 nan 0.000 0.451 968 V N 5.199 125.211 119.914 0.164 0.000 2.540 968 V HA 0.505 4.628 4.120 0.005 0.000 0.302 968 V C -0.441 175.697 176.094 0.074 0.000 1.035 968 V CA -0.798 61.575 62.300 0.121 0.000 0.873 968 V CB 1.664 33.566 31.823 0.133 0.000 0.992 968 V HN 0.706 nan 8.190 nan 0.000 0.428 969 R N 3.071 123.582 120.500 0.019 0.000 2.494 969 R HA 0.719 5.063 4.340 0.005 0.000 0.305 969 R C -1.067 175.149 176.300 -0.139 0.000 0.959 969 R CA -0.174 55.834 56.100 -0.153 0.000 0.864 969 R CB 2.037 32.229 30.300 -0.179 0.000 1.159 969 R HN 0.819 nan 8.270 nan 0.000 0.446 970 T N 1.085 115.554 114.554 -0.142 0.000 2.916 970 T HA 0.316 4.669 4.350 0.005 0.000 0.292 970 T C -0.131 174.521 174.700 -0.080 0.000 1.055 970 T CA -0.609 61.452 62.100 -0.066 0.000 1.009 970 T CB 1.844 70.706 68.868 -0.009 0.000 1.118 970 T HN 0.396 nan 8.240 nan 0.000 0.497 971 T N 2.552 117.075 114.554 -0.051 0.000 2.910 971 T HA 0.357 4.710 4.350 0.005 0.000 0.293 971 T C -0.127 174.558 174.700 -0.025 0.000 1.015 971 T CA -0.409 61.647 62.100 -0.074 0.000 1.094 971 T CB 0.234 69.118 68.868 0.027 0.000 0.968 971 T HN 0.307 nan 8.240 nan 0.000 0.521 972 K N 3.866 124.227 120.400 -0.066 0.000 2.621 972 K HA 0.353 4.676 4.320 0.005 0.000 0.233 972 K C -0.581 176.025 176.600 0.010 0.000 0.972 972 K CA -0.362 55.919 56.287 -0.011 0.000 0.988 972 K CB 1.203 33.692 32.500 -0.019 0.000 1.187 972 K HN 0.555 nan 8.250 nan 0.000 0.471 973 I N 5.091 125.694 120.570 0.056 0.000 2.588 973 I HA 0.066 4.239 4.170 0.005 0.000 0.283 973 I C -1.684 174.492 176.117 0.098 0.000 1.119 973 I CA -1.576 59.783 61.300 0.098 0.000 1.419 973 I CB 0.597 38.656 38.000 0.099 0.000 1.394 973 I HN 0.224 nan 8.210 nan 0.000 0.562 974 P HA 0.106 nan 4.420 nan 0.000 0.276 974 P C -0.954 176.422 177.300 0.128 0.000 1.235 974 P CA -0.157 63.051 63.100 0.181 0.000 0.772 974 P CB 1.565 33.456 31.700 0.318 0.000 0.871 975 Q N 1.911 121.763 119.800 0.086 0.000 3.348 975 Q HA 0.274 4.617 4.340 0.005 0.000 0.330 975 Q C 0.833 176.850 176.000 0.028 0.000 0.928 975 Q CA -0.814 55.015 55.803 0.044 0.000 0.823 975 Q CB 1.180 29.932 28.738 0.023 0.000 1.774 975 Q HN 0.163 nan 8.270 nan 0.000 0.433 976 I N 0.710 121.279 120.570 -0.002 0.000 2.591 976 I HA -0.090 4.083 4.170 0.005 0.000 0.120 976 I C 1.205 177.311 176.117 -0.019 0.000 0.970 976 I CA 2.180 63.469 61.300 -0.018 0.000 1.298 976 I CB -0.805 37.177 38.000 -0.029 0.000 1.103 976 I HN 0.712 nan 8.210 nan 0.000 0.441 977 G N 1.511 110.291 108.800 -0.034 0.000 3.401 977 G HA2 0.133 4.096 3.960 0.005 0.000 0.251 977 G HA3 0.133 4.096 3.960 0.005 0.000 0.251 977 G C -0.828 174.007 174.900 -0.108 0.000 0.960 977 G CA -0.276 44.795 45.100 -0.049 0.000 1.900 977 G HN 0.504 nan 8.290 nan 0.000 0.645 978 D N 0.665 120.960 120.400 -0.174 0.000 2.339 978 D HA 0.105 4.749 4.640 0.005 0.000 0.256 978 D C 0.501 176.431 176.300 -0.617 0.000 1.214 978 D CA 0.051 53.814 54.000 -0.395 0.000 0.877 978 D CB 1.415 41.908 40.800 -0.511 0.000 1.111 978 D HN 0.162 nan 8.370 nan 0.000 0.478 979 K N 2.861 122.997 120.400 -0.441 0.000 2.419 979 K HA 0.094 4.417 4.320 0.005 0.000 0.282 979 K C -0.786 175.507 176.600 -0.511 0.000 1.056 979 K CA 0.127 56.205 56.287 -0.348 0.000 1.035 979 K CB 0.086 32.427 32.500 -0.265 0.000 0.921 979 K HN 0.293 nan 8.250 nan 0.000 0.472 980 F N 1.537 121.428 119.950 -0.098 0.000 2.572 980 F HA 0.648 5.179 4.527 0.005 0.000 0.342 980 F C 0.181 176.008 175.800 0.045 0.000 1.064 980 F CA -0.989 56.952 58.000 -0.099 0.000 1.008 980 F CB 1.936 40.790 39.000 -0.244 0.000 1.303 980 F HN 0.450 nan 8.300 nan 0.000 0.492 981 A N 0.867 123.926 122.820 0.399 0.000 2.480 981 A HA 0.528 4.852 4.320 0.005 0.000 0.289 981 A C -0.252 177.341 177.584 0.015 0.000 1.044 981 A CA -0.555 51.620 52.037 0.230 0.000 0.761 981 A CB 0.613 19.664 19.000 0.085 0.000 1.289 981 A HN 0.844 nan 8.150 nan 0.000 0.401 982 S N 2.241 117.675 115.700 -0.443 0.000 2.906 982 S HA 0.042 4.515 4.470 0.005 0.000 0.254 982 S C 0.660 175.052 174.600 -0.348 0.000 1.432 982 S CA 0.794 58.517 58.200 -0.795 0.000 0.997 982 S CB 0.129 62.844 63.200 -0.808 0.000 0.928 982 S HN 0.725 nan 8.310 nan 0.000 0.553 983 R N -0.677 119.624 120.500 -0.333 0.000 2.633 983 R HA 0.332 4.675 4.340 0.005 0.000 0.348 983 R C 0.018 175.938 176.300 -0.633 0.000 1.100 983 R CA 0.040 55.905 56.100 -0.390 0.000 1.068 983 R CB -0.087 29.992 30.300 -0.369 0.000 1.351 983 R HN 0.800 nan 8.270 nan 0.000 0.575 984 H N -2.914 116.075 119.070 -0.135 0.000 3.935 984 H HA 0.227 4.786 4.556 0.006 0.000 0.264 984 H C 0.850 176.112 175.328 -0.110 0.000 1.148 984 H CA 0.344 56.326 56.048 -0.110 0.000 1.177 984 H CB 1.899 31.575 29.762 -0.143 0.000 1.511 984 H HN 0.241 nan 8.280 nan 0.000 0.745 985 G N 1.184 109.975 108.800 -0.015 0.000 2.138 985 G HA2 -0.232 3.731 3.960 0.005 0.000 0.193 985 G HA3 -0.232 3.731 3.960 0.005 0.000 0.193 985 G C -0.340 174.555 174.900 -0.009 0.000 0.998 985 G CA -0.522 44.590 45.100 0.020 0.000 0.668 985 G HN 0.128 nan 8.290 nan 0.000 0.516 986 Q N 0.555 120.316 119.800 -0.065 0.000 2.271 986 Q HA 0.308 4.652 4.340 0.005 0.000 0.273 986 Q C 1.002 177.033 176.000 0.053 0.000 1.051 986 Q CA 0.479 56.267 55.803 -0.025 0.000 0.901 986 Q CB 1.356 30.038 28.738 -0.094 0.000 1.174 986 Q HN 0.570 nan 8.270 nan 0.000 0.385 987 K N 1.033 121.480 120.400 0.077 0.000 2.786 987 K HA 0.350 4.673 4.320 0.005 0.000 0.224 987 K C 0.319 176.981 176.600 0.104 0.000 1.089 987 K CA 0.481 56.817 56.287 0.080 0.000 1.162 987 K CB -0.073 32.451 32.500 0.040 0.000 1.585 987 K HN 0.858 nan 8.250 nan 0.000 0.466 988 G N 1.614 110.450 108.800 0.060 0.000 2.722 988 G HA2 -0.180 3.783 3.960 0.005 0.000 0.686 988 G HA3 -0.180 3.783 3.960 0.005 0.000 0.686 988 G C -0.333 174.585 174.900 0.031 0.000 1.282 988 G CA -0.164 44.969 45.100 0.056 0.000 0.817 988 G HN 0.455 nan 8.290 nan 0.000 0.605 989 T N -0.692 113.874 114.554 0.020 0.000 2.887 989 T HA 0.704 5.057 4.350 0.005 0.000 0.288 989 T C 0.610 175.333 174.700 0.039 0.000 1.021 989 T CA -0.887 61.215 62.100 0.003 0.000 1.000 989 T CB 1.708 70.554 68.868 -0.037 0.000 1.034 989 T HN 0.953 nan 8.240 nan 0.000 0.467 990 I N 2.668 123.275 120.570 0.062 0.000 2.671 990 I HA 0.171 4.344 4.170 0.005 0.000 0.285 990 I C 1.643 177.766 176.117 0.010 0.000 1.148 990 I CA 0.102 61.432 61.300 0.051 0.000 1.386 990 I CB 0.341 38.390 38.000 0.081 0.000 1.406 990 I HN 1.061 nan 8.210 nan 0.000 0.540 991 G N 7.427 116.237 108.800 0.016 0.000 2.712 991 G HA2 0.195 4.158 3.960 0.005 0.000 0.212 991 G HA3 0.195 4.158 3.960 0.005 0.000 0.212 991 G C 0.442 175.265 174.900 -0.129 0.000 1.142 991 G CA 0.242 45.353 45.100 0.018 0.000 0.789 991 G HN 0.589 nan 8.290 nan 0.000 0.535 992 I N 0.157 120.612 120.570 -0.191 0.000 2.714 992 I HA 0.200 4.373 4.170 0.005 0.000 0.290 992 I C -0.902 175.040 176.117 -0.291 0.000 1.663 992 I CA -0.796 60.268 61.300 -0.393 0.000 1.011 992 I CB 1.640 39.141 38.000 -0.831 0.000 1.462 992 I HN 0.059 nan 8.210 nan 0.000 0.476 993 T N 3.119 117.518 114.554 -0.259 0.000 2.909 993 T HA 0.550 4.903 4.350 0.005 0.000 0.286 993 T C -0.849 173.726 174.700 -0.207 0.000 1.002 993 T CA -0.259 61.755 62.100 -0.144 0.000 1.074 993 T CB 1.128 69.965 68.868 -0.051 0.000 0.984 993 T HN 0.447 nan 8.240 nan 0.000 0.495 994 Y N -0.020 120.296 120.300 0.026 0.000 2.499 994 Y HA 0.543 5.096 4.550 0.005 0.000 0.347 994 Y C 0.805 176.734 175.900 0.048 0.000 0.987 994 Y CA -1.557 56.578 58.100 0.058 0.000 1.044 994 Y CB 2.373 40.903 38.460 0.116 0.000 1.245 994 Y HN 0.557 nan 8.280 nan 0.000 0.461 995 R N 1.081 121.744 120.500 0.271 0.000 2.577 995 R HA 0.247 4.590 4.340 0.005 0.000 0.269 995 R C 1.372 177.736 176.300 0.106 0.000 1.084 995 R CA -0.226 55.959 56.100 0.141 0.000 1.163 995 R CB 0.757 31.118 30.300 0.101 0.000 1.100 995 R HN 0.743 nan 8.270 nan 0.000 0.547 996 R N 1.352 121.885 120.500 0.055 0.000 2.115 996 R HA -0.262 4.081 4.340 0.005 0.000 0.239 996 R C 1.297 177.586 176.300 -0.019 0.000 1.133 996 R CA 2.608 58.718 56.100 0.018 0.000 0.935 996 R CB -0.169 30.131 30.300 -0.000 0.000 0.853 996 R HN 0.753 nan 8.270 nan 0.000 0.433 997 E N -0.139 120.047 120.200 -0.023 0.000 2.301 997 E HA -0.230 4.123 4.350 0.005 0.000 0.202 997 E C 0.893 177.489 176.600 -0.007 0.000 1.017 997 E CA 1.596 57.971 56.400 -0.042 0.000 0.831 997 E CB -0.133 29.561 29.700 -0.009 0.000 0.742 997 E HN 0.525 nan 8.360 nan 0.000 0.491 998 D N -0.606 119.811 120.400 0.027 0.000 2.398 998 D HA 0.157 4.800 4.640 0.005 0.000 0.210 998 D C 0.076 176.307 176.300 -0.114 0.000 1.094 998 D CA -0.046 53.986 54.000 0.054 0.000 0.839 998 D CB 0.416 41.295 40.800 0.132 0.000 0.963 998 D HN 0.156 nan 8.370 nan 0.000 0.506 999 M N 1.710 121.275 119.600 -0.060 0.000 2.478 999 M HA 0.315 4.799 4.480 0.005 0.000 0.327 999 M C -2.493 173.804 176.300 -0.004 0.000 1.187 999 M CA -1.921 53.345 55.300 -0.058 0.000 1.022 999 M CB 2.320 34.912 32.600 -0.014 0.000 1.629 999 M HN -0.320 nan 8.290 nan 0.000 0.461 1000 P HA 0.238 nan 4.420 nan 0.000 0.274 1000 P C -1.634 175.836 177.300 0.284 0.000 1.231 1000 P CA 0.052 63.176 63.100 0.039 0.000 0.790 1000 P CB 0.151 31.679 31.700 -0.286 0.000 0.951 1001 F N -2.243 117.753 119.950 0.077 0.000 2.619 1001 F HA 0.579 5.110 4.527 0.005 0.000 0.308 1001 F C -0.821 175.076 175.800 0.161 0.000 1.097 1001 F CA -1.021 57.063 58.000 0.140 0.000 0.953 1001 F CB 1.473 40.550 39.000 0.129 0.000 1.287 1001 F HN 0.100 nan 8.300 nan 0.000 0.446 1002 T N 2.009 116.583 114.554 0.033 0.000 2.845 1002 T HA 0.469 4.822 4.350 0.005 0.000 0.288 1002 T C 1.186 175.874 174.700 -0.020 0.000 0.980 1002 T CA 0.327 62.346 62.100 -0.134 0.000 1.071 1002 T CB 1.512 70.213 68.868 -0.278 0.000 0.941 1002 T HN 0.935 nan 8.240 nan 0.000 0.487 1003 A N 3.575 126.395 122.820 0.001 0.000 2.054 1003 A HA -0.190 4.133 4.320 0.005 0.000 0.223 1003 A C 1.894 179.535 177.584 0.095 0.000 1.169 1003 A CA 2.121 54.219 52.037 0.103 0.000 0.655 1003 A CB -0.572 18.493 19.000 0.108 0.000 0.812 1003 A HN 0.963 nan 8.150 nan 0.000 0.462 1004 E N -2.259 117.983 120.200 0.070 0.000 2.274 1004 E HA 0.221 4.575 4.350 0.005 0.000 0.194 1004 E C 1.342 178.006 176.600 0.107 0.000 0.996 1004 E CA 0.452 56.896 56.400 0.075 0.000 0.840 1004 E CB -0.137 29.597 29.700 0.056 0.000 0.772 1004 E HN 0.837 nan 8.360 nan 0.000 0.491 1005 G N 0.551 109.454 108.800 0.170 0.000 2.184 1005 G HA2 -0.186 3.778 3.960 0.005 0.000 0.206 1005 G HA3 -0.186 3.778 3.960 0.005 0.000 0.206 1005 G C 0.311 175.331 174.900 0.200 0.000 0.995 1005 G CA -0.216 45.020 45.100 0.227 0.000 0.651 1005 G HN 0.061 nan 8.290 nan 0.000 0.511 1006 I N 0.448 121.119 120.570 0.168 0.000 3.112 1006 I HA 0.558 4.731 4.170 0.005 0.000 0.284 1006 I C 0.793 177.082 176.117 0.287 0.000 1.227 1006 I CA -0.366 61.050 61.300 0.192 0.000 1.369 1006 I CB 1.014 39.112 38.000 0.163 0.000 1.376 1006 I HN 0.229 nan 8.210 nan 0.000 0.608 1007 V N 5.250 125.327 119.914 0.271 0.000 2.852 1007 V HA 0.412 4.535 4.120 0.005 0.000 0.300 1007 V C -2.410 173.718 176.094 0.058 0.000 1.205 1007 V CA -1.241 61.176 62.300 0.195 0.000 0.940 1007 V CB 2.568 34.460 31.823 0.116 0.000 1.047 1007 V HN 0.712 nan 8.190 nan 0.000 0.429 1008 P HA 0.324 nan 4.420 nan 0.000 0.272 1008 P C -0.579 176.638 177.300 -0.139 0.000 1.230 1008 P CA 0.099 63.027 63.100 -0.286 0.000 0.788 1008 P CB 0.907 32.361 31.700 -0.411 0.000 0.949 1009 D N -0.087 120.227 120.400 -0.145 0.000 2.349 1009 D HA 0.235 4.878 4.640 0.005 0.000 0.214 1009 D C -0.163 176.081 176.300 -0.094 0.000 1.063 1009 D CA 0.581 54.528 54.000 -0.088 0.000 0.847 1009 D CB -0.022 40.727 40.800 -0.086 0.000 0.933 1009 D HN 0.050 nan 8.370 nan 0.000 0.513 1010 L N 0.934 122.082 121.223 -0.126 0.000 3.679 1010 L HA 0.235 4.578 4.340 0.005 0.000 0.250 1010 L C -1.721 175.057 176.870 -0.153 0.000 0.994 1010 L CA -0.016 54.724 54.840 -0.166 0.000 1.310 1010 L CB 0.860 42.809 42.059 -0.185 0.000 1.929 1010 L HN -0.143 nan 8.230 nan 0.000 0.672 1011 I N 6.060 126.576 120.570 -0.090 0.000 2.796 1011 I HA 0.314 4.487 4.170 0.005 0.000 0.279 1011 I C 0.856 176.978 176.117 0.009 0.000 1.289 1011 I CA -0.446 60.822 61.300 -0.054 0.000 1.021 1011 I CB 0.792 38.788 38.000 -0.007 0.000 1.414 1011 I HN 0.567 nan 8.210 nan 0.000 0.562 1012 I N 0.836 121.407 120.570 0.003 0.000 3.080 1012 I HA 0.366 4.539 4.170 0.005 0.000 0.183 1012 I C 0.061 176.214 176.117 0.060 0.000 1.432 1012 I CA -0.111 61.220 61.300 0.052 0.000 0.614 1012 I CB 0.463 38.519 38.000 0.093 0.000 1.876 1012 I HN 0.402 nan 8.210 nan 0.000 0.995 1013 N N 0.241 118.983 118.700 0.069 0.000 2.549 1013 N HA 0.283 5.026 4.740 0.005 0.000 0.290 1013 N C -2.351 173.183 175.510 0.039 0.000 1.122 1013 N CA -1.349 51.755 53.050 0.089 0.000 0.885 1013 N CB 2.036 40.623 38.487 0.168 0.000 1.455 1013 N HN 0.282 nan 8.380 nan 0.000 0.521 1014 P HA -0.316 nan 4.420 nan 0.000 0.225 1014 P C 0.962 178.193 177.300 -0.116 0.000 0.859 1014 P CA 1.923 64.936 63.100 -0.145 0.000 1.075 1014 P CB -0.258 31.259 31.700 -0.305 0.000 0.699 1015 H N -1.582 117.502 119.070 0.023 0.000 2.489 1015 H HA -0.008 4.551 4.556 0.005 0.000 0.295 1015 H C 1.877 177.219 175.328 0.022 0.000 1.082 1015 H CA 1.271 57.332 56.048 0.023 0.000 1.295 1015 H CB -0.769 29.008 29.762 0.025 0.000 1.380 1015 H HN 0.202 nan 8.280 nan 0.000 0.548 1016 A N 1.069 123.966 122.820 0.130 0.000 2.204 1016 A HA -0.152 4.171 4.320 0.005 0.000 0.220 1016 A C 2.139 179.759 177.584 0.060 0.000 1.165 1016 A CA 1.233 53.325 52.037 0.091 0.000 0.671 1016 A CB -0.390 18.665 19.000 0.092 0.000 0.792 1016 A HN 0.222 nan 8.150 nan 0.000 0.473 1017 I N -1.442 119.154 120.570 0.043 0.000 3.345 1017 I HA 0.049 4.222 4.170 0.005 0.000 0.258 1017 I C -0.889 175.237 176.117 0.014 0.000 1.134 1017 I CA 0.179 61.489 61.300 0.017 0.000 1.457 1017 I CB -2.008 35.984 38.000 -0.014 0.000 1.425 1017 I HN 0.036 nan 8.210 nan 0.000 0.461 1018 P HA -0.071 nan 4.420 nan 0.000 0.220 1018 P C 1.969 179.284 177.300 0.024 0.000 1.148 1018 P CA 1.329 64.442 63.100 0.022 0.000 0.803 1018 P CB 0.171 31.890 31.700 0.030 0.000 0.782 1019 S N -0.340 115.379 115.700 0.032 0.000 2.357 1019 S HA -0.085 4.388 4.470 0.005 0.000 0.221 1019 S C 1.819 176.422 174.600 0.006 0.000 1.031 1019 S CA 0.918 59.134 58.200 0.026 0.000 0.982 1019 S CB -0.356 62.866 63.200 0.037 0.000 0.853 1019 S HN 0.048 nan 8.310 nan 0.000 0.458 1020 R N 0.053 120.550 120.500 -0.004 0.000 2.290 1020 R HA 0.316 4.659 4.340 0.005 0.000 0.197 1020 R C 0.298 176.575 176.300 -0.039 0.000 0.913 1020 R CA 0.237 56.316 56.100 -0.035 0.000 1.040 1020 R CB -0.273 30.003 30.300 -0.041 0.000 0.992 1020 R HN 0.418 nan 8.270 nan 0.000 0.500 1021 M N 2.255 121.845 119.600 -0.016 0.000 2.217 1021 M HA -0.164 4.319 4.480 0.005 0.000 0.187 1021 M C -0.302 175.988 176.300 -0.017 0.000 0.642 1021 M CA 0.971 56.266 55.300 -0.009 0.000 0.450 1021 M CB -1.653 30.947 32.600 -0.001 0.000 1.039 1021 M HN 0.171 nan 8.290 nan 0.000 0.916 1022 T N -3.119 111.417 114.554 -0.030 0.000 2.733 1022 T HA 0.561 4.914 4.350 0.005 0.000 0.294 1022 T C 0.582 175.238 174.700 -0.073 0.000 0.956 1022 T CA -0.941 61.126 62.100 -0.054 0.000 0.987 1022 T CB 1.881 70.702 68.868 -0.078 0.000 0.920 1022 T HN 0.169 nan 8.240 nan 0.000 0.470 1023 V N 3.461 123.333 119.914 -0.069 0.000 3.048 1023 V HA 0.188 4.312 4.120 0.005 0.000 0.241 1023 V C 2.850 178.830 176.094 -0.191 0.000 1.129 1023 V CA 1.121 63.368 62.300 -0.088 0.000 1.128 1023 V CB -0.756 31.059 31.823 -0.013 0.000 0.849 1023 V HN 1.027 nan 8.190 nan 0.000 0.475 1024 A N -0.257 122.458 122.820 -0.175 0.000 1.940 1024 A HA -0.380 3.943 4.320 0.005 0.000 0.221 1024 A C 2.090 179.409 177.584 -0.441 0.000 1.190 1024 A CA 2.604 54.490 52.037 -0.252 0.000 0.647 1024 A CB -1.146 17.879 19.000 0.041 0.000 0.821 1024 A HN 0.759 nan 8.150 nan 0.000 0.457 1025 H N -0.460 118.103 119.070 -0.845 0.000 2.353 1025 H HA -0.156 4.404 4.556 0.005 0.000 0.298 1025 H C 1.941 177.054 175.328 -0.359 0.000 1.103 1025 H CA 1.810 57.461 56.048 -0.663 0.000 1.293 1025 H CB -0.087 29.381 29.762 -0.491 0.000 1.372 1025 H HN 0.466 nan 8.280 nan 0.000 0.501 1026 L N 0.354 121.331 121.223 -0.409 0.000 2.027 1026 L HA -0.192 4.151 4.340 0.005 0.000 0.206 1026 L C 2.761 179.497 176.870 -0.224 0.000 1.074 1026 L CA 1.053 55.665 54.840 -0.380 0.000 0.745 1026 L CB -0.349 41.594 42.059 -0.193 0.000 0.898 1026 L HN 0.296 nan 8.230 nan 0.000 0.433 1027 I N 0.203 120.584 120.570 -0.314 0.000 2.058 1027 I HA -0.346 3.828 4.170 0.005 0.000 0.235 1027 I C 2.670 178.580 176.117 -0.344 0.000 1.053 1027 I CA 1.960 62.995 61.300 -0.443 0.000 1.313 1027 I CB -0.619 36.800 38.000 -0.969 0.000 1.039 1027 I HN 0.394 nan 8.210 nan 0.000 0.396 1028 E N 0.575 120.584 120.200 -0.319 0.000 2.253 1028 E HA -0.329 4.024 4.350 0.005 0.000 0.202 1028 E C 2.185 178.764 176.600 -0.036 0.000 1.014 1028 E CA 2.058 58.426 56.400 -0.052 0.000 0.823 1028 E CB -0.461 29.333 29.700 0.157 0.000 0.736 1028 E HN 0.614 nan 8.360 nan 0.000 0.478 1029 C N -0.799 118.444 119.300 -0.094 0.000 2.564 1029 C HA 0.095 4.558 4.460 0.005 0.000 0.281 1029 C C 2.362 177.385 174.990 0.054 0.000 1.314 1029 C CA 0.302 59.280 59.018 -0.066 0.000 1.706 1029 C CB -1.208 26.374 27.740 -0.264 0.000 2.109 1029 C HN 0.646 nan 8.230 nan 0.000 0.502 1030 L N 1.857 123.174 121.223 0.157 0.000 1.978 1030 L HA -0.192 4.151 4.340 0.005 0.000 0.235 1030 L C 2.303 179.193 176.870 0.032 0.000 1.094 1030 L CA 2.944 57.858 54.840 0.123 0.000 0.814 1030 L CB -1.138 40.962 42.059 0.069 0.000 0.911 1030 L HN 0.574 nan 8.230 nan 0.000 0.442 1031 L N -1.985 119.237 121.223 -0.003 0.000 2.642 1031 L HA -0.020 4.324 4.340 0.005 0.000 0.236 1031 L C 1.920 178.798 176.870 0.013 0.000 1.169 1031 L CA 1.671 56.519 54.840 0.012 0.000 0.851 1031 L CB -0.665 41.417 42.059 0.038 0.000 0.968 1031 L HN 0.255 nan 8.230 nan 0.000 0.453 1032 S N -0.435 115.269 115.700 0.007 0.000 2.412 1032 S HA -0.026 4.447 4.470 0.005 0.000 0.223 1032 S C 1.767 176.356 174.600 -0.018 0.000 1.048 1032 S CA 0.807 59.002 58.200 -0.008 0.000 0.954 1032 S CB -0.023 63.172 63.200 -0.008 0.000 0.840 1032 S HN 0.588 nan 8.310 nan 0.000 0.503 1033 K N 1.502 121.897 120.400 -0.007 0.000 2.015 1033 K HA -0.139 4.185 4.320 0.005 0.000 0.216 1033 K C 1.770 178.337 176.600 -0.055 0.000 1.052 1033 K CA 1.813 58.081 56.287 -0.033 0.000 0.937 1033 K CB -0.632 31.843 32.500 -0.042 0.000 0.719 1033 K HN 0.104 nan 8.250 nan 0.000 0.446 1034 V N 0.784 120.676 119.914 -0.036 0.000 2.527 1034 V HA -0.316 3.807 4.120 0.005 0.000 0.255 1034 V C 2.240 178.284 176.094 -0.084 0.000 1.081 1034 V CA 2.153 64.423 62.300 -0.051 0.000 1.092 1034 V CB -0.691 31.134 31.823 0.003 0.000 0.673 1034 V HN 0.600 nan 8.190 nan 0.000 0.470 1035 A N -1.244 121.541 122.820 -0.057 0.000 2.095 1035 A HA 0.345 4.668 4.320 0.005 0.000 0.212 1035 A C 2.264 179.808 177.584 -0.067 0.000 1.162 1035 A CA 1.126 53.129 52.037 -0.057 0.000 0.753 1035 A CB -0.263 18.711 19.000 -0.045 0.000 0.840 1035 A HN 0.523 nan 8.150 nan 0.000 0.468 1036 A N -0.023 122.756 122.820 -0.069 0.000 1.930 1036 A HA 0.137 4.460 4.320 0.005 0.000 0.215 1036 A C 2.046 179.580 177.584 -0.084 0.000 1.176 1036 A CA 1.086 53.085 52.037 -0.063 0.000 0.632 1036 A CB -0.428 18.544 19.000 -0.046 0.000 0.819 1036 A HN 0.429 nan 8.150 nan 0.000 0.445 1037 L N 0.285 121.422 121.223 -0.143 0.000 2.023 1037 L HA -0.156 4.188 4.340 0.005 0.000 0.205 1037 L C 3.078 179.788 176.870 -0.266 0.000 1.073 1037 L CA 1.671 56.362 54.840 -0.248 0.000 0.745 1037 L CB -0.579 41.197 42.059 -0.473 0.000 0.900 1037 L HN 0.556 nan 8.230 nan 0.000 0.435 1038 S N -0.502 115.042 115.700 -0.260 0.000 2.368 1038 S HA -0.044 4.430 4.470 0.005 0.000 0.224 1038 S C 1.778 176.366 174.600 -0.020 0.000 1.029 1038 S CA 0.901 59.047 58.200 -0.090 0.000 0.988 1038 S CB -0.397 62.794 63.200 -0.015 0.000 0.838 1038 S HN 0.585 nan 8.310 nan 0.000 0.462 1039 G N 1.369 110.145 108.800 -0.040 0.000 2.199 1039 G HA2 -0.239 3.724 3.960 0.005 0.000 0.254 1039 G HA3 -0.239 3.724 3.960 0.005 0.000 0.254 1039 G C 0.062 174.949 174.900 -0.022 0.000 0.982 1039 G CA 0.094 45.180 45.100 -0.024 0.000 0.632 1039 G HN 0.533 nan 8.290 nan 0.000 0.529 1040 N N 0.879 119.567 118.700 -0.020 0.000 2.399 1040 N HA 0.298 5.042 4.740 0.005 0.000 0.250 1040 N C 0.294 175.781 175.510 -0.039 0.000 1.272 1040 N CA 0.051 53.088 53.050 -0.022 0.000 0.928 1040 N CB 0.620 39.102 38.487 -0.008 0.000 1.158 1040 N HN 0.613 nan 8.380 nan 0.000 0.463 1041 E N -0.274 119.897 120.200 -0.048 0.000 2.316 1041 E HA 0.243 4.596 4.350 0.005 0.000 0.275 1041 E C 0.107 176.670 176.600 -0.062 0.000 1.029 1041 E CA -0.718 55.642 56.400 -0.067 0.000 0.871 1041 E CB 0.475 30.123 29.700 -0.087 0.000 1.022 1041 E HN 0.552 nan 8.360 nan 0.000 0.418 1042 G N 3.222 111.982 108.800 -0.066 0.000 2.491 1042 G HA2 0.089 4.052 3.960 0.005 0.000 0.242 1042 G HA3 0.089 4.052 3.960 0.005 0.000 0.242 1042 G C -0.765 174.089 174.900 -0.077 0.000 1.266 1042 G CA -0.275 44.796 45.100 -0.048 0.000 0.844 1042 G HN 0.645 nan 8.290 nan 0.000 0.571 1043 D N 0.180 120.547 120.400 -0.055 0.000 2.542 1043 D HA 0.530 5.173 4.640 0.005 0.000 0.252 1043 D C 0.706 176.920 176.300 -0.144 0.000 1.222 1043 D CA -0.114 53.813 54.000 -0.122 0.000 0.895 1043 D CB 1.416 42.140 40.800 -0.128 0.000 1.207 1043 D HN 0.317 nan 8.370 nan 0.000 0.558 1044 A N 2.471 125.141 122.820 -0.250 0.000 2.095 1044 A HA 0.202 4.526 4.320 0.005 0.000 0.212 1044 A C 1.177 178.255 177.584 -0.844 0.000 1.162 1044 A CA -0.046 51.669 52.037 -0.537 0.000 0.753 1044 A CB -0.152 18.720 19.000 -0.213 0.000 0.840 1044 A HN 0.496 nan 8.150 nan 0.000 0.468 1045 S N 1.161 116.577 115.700 -0.474 0.000 2.572 1045 S HA -0.032 4.441 4.470 0.005 0.000 0.305 1045 S C -1.343 172.997 174.600 -0.433 0.000 1.264 1045 S CA 0.313 58.294 58.200 -0.365 0.000 1.029 1045 S CB 0.509 63.565 63.200 -0.241 0.000 0.734 1045 S HN 0.335 nan 8.310 nan 0.000 0.478 1046 P HA 0.032 nan 4.420 nan 0.000 0.199 1046 P C -0.061 176.994 177.300 -0.409 0.000 1.169 1046 P CA 0.930 63.646 63.100 -0.640 0.000 0.900 1046 P CB 0.057 30.949 31.700 -1.348 0.000 0.733 1047 F N 0.433 120.424 119.950 0.067 0.000 2.515 1047 F HA 0.305 4.836 4.527 0.006 0.000 0.353 1047 F C 1.126 176.995 175.800 0.114 0.000 1.213 1047 F CA -0.573 57.468 58.000 0.068 0.000 1.194 1047 F CB -0.813 38.199 39.000 0.019 0.000 1.488 1047 F HN 0.008 nan 8.300 nan 0.000 0.619 1048 T N -3.269 111.412 114.554 0.212 0.000 2.604 1048 T HA 0.306 4.659 4.350 0.005 0.000 0.267 1048 T C 0.168 174.971 174.700 0.171 0.000 0.923 1048 T CA -0.794 61.411 62.100 0.175 0.000 1.077 1048 T CB 1.634 70.558 68.868 0.094 0.000 1.392 1048 T HN 0.256 nan 8.240 nan 0.000 0.531 1049 D N 0.015 120.497 120.400 0.138 0.000 2.463 1049 D HA 0.319 4.962 4.640 0.005 0.000 0.224 1049 D C -0.114 176.261 176.300 0.126 0.000 1.174 1049 D CA -0.032 54.044 54.000 0.126 0.000 0.829 1049 D CB 0.279 41.140 40.800 0.101 0.000 0.993 1049 D HN 0.392 nan 8.370 nan 0.000 0.497 1050 I N 1.481 122.144 120.570 0.154 0.000 2.529 1050 I HA 0.038 4.211 4.170 0.005 0.000 0.284 1050 I C 0.940 177.177 176.117 0.201 0.000 1.082 1050 I CA 0.477 61.885 61.300 0.180 0.000 1.406 1050 I CB 1.166 39.319 38.000 0.254 0.000 1.405 1050 I HN -0.099 nan 8.210 nan 0.000 0.548 1051 T N 1.493 116.127 114.554 0.133 0.000 2.838 1051 T HA 0.361 4.714 4.350 0.005 0.000 0.292 1051 T C 0.805 175.522 174.700 0.028 0.000 1.113 1051 T CA -0.850 61.306 62.100 0.094 0.000 1.008 1051 T CB 1.378 70.299 68.868 0.089 0.000 1.259 1051 T HN 0.128 nan 8.240 nan 0.000 0.520 1052 V N 0.979 120.888 119.914 -0.009 0.000 2.343 1052 V HA -0.124 3.999 4.120 0.005 0.000 0.247 1052 V C 2.699 178.790 176.094 -0.005 0.000 1.051 1052 V CA 1.715 63.995 62.300 -0.034 0.000 1.036 1052 V CB -0.935 30.868 31.823 -0.034 0.000 0.654 1052 V HN 0.819 nan 8.190 nan 0.000 0.451 1053 E N 1.266 121.474 120.200 0.013 0.000 2.000 1053 E HA -0.192 4.162 4.350 0.005 0.000 0.199 1053 E C 2.463 179.075 176.600 0.020 0.000 1.011 1053 E CA 1.652 58.061 56.400 0.016 0.000 0.836 1053 E CB -1.208 28.507 29.700 0.024 0.000 0.778 1053 E HN 0.540 nan 8.360 nan 0.000 0.462 1054 G N 1.000 109.820 108.800 0.033 0.000 2.606 1054 G HA2 -0.281 3.682 3.960 0.005 0.000 0.223 1054 G HA3 -0.281 3.682 3.960 0.005 0.000 0.223 1054 G C 1.593 176.514 174.900 0.036 0.000 1.106 1054 G CA 1.307 46.430 45.100 0.038 0.000 0.745 1054 G HN 0.131 nan 8.290 nan 0.000 0.597 1055 I N 0.436 121.025 120.570 0.030 0.000 2.368 1055 I HA 0.029 4.202 4.170 0.005 0.000 0.238 1055 I C 2.923 179.055 176.117 0.025 0.000 1.076 1055 I CA 1.178 62.495 61.300 0.029 0.000 1.397 1055 I CB -0.749 37.261 38.000 0.017 0.000 1.141 1055 I HN 0.079 nan 8.210 nan 0.000 0.430 1056 S N 0.585 116.290 115.700 0.008 0.000 2.414 1056 S HA -0.397 4.076 4.470 0.005 0.000 0.238 1056 S C 2.046 176.655 174.600 0.015 0.000 1.055 1056 S CA 2.210 60.412 58.200 0.003 0.000 1.174 1056 S CB -0.559 62.634 63.200 -0.012 0.000 1.087 1056 S HN 0.271 nan 8.310 nan 0.000 0.428 1057 K N 0.402 120.808 120.400 0.009 0.000 2.184 1057 K HA -0.172 4.151 4.320 0.005 0.000 0.210 1057 K C 1.582 178.193 176.600 0.018 0.000 1.048 1057 K CA 1.437 57.728 56.287 0.007 0.000 0.931 1057 K CB -0.333 32.172 32.500 0.008 0.000 0.718 1057 K HN 0.359 nan 8.250 nan 0.000 0.465 1058 L N 0.002 121.250 121.223 0.041 0.000 2.591 1058 L HA 0.007 4.351 4.340 0.005 0.000 0.228 1058 L C 1.604 178.561 176.870 0.145 0.000 1.133 1058 L CA -0.185 54.701 54.840 0.077 0.000 0.880 1058 L CB 0.110 42.215 42.059 0.076 0.000 1.033 1058 L HN 0.177 nan 8.230 nan 0.000 0.450 1059 L N -0.845 120.443 121.223 0.110 0.000 2.445 1059 L HA 0.171 4.514 4.340 0.005 0.000 0.207 1059 L C 2.003 178.944 176.870 0.117 0.000 1.053 1059 L CA 1.048 55.981 54.840 0.155 0.000 0.841 1059 L CB -0.078 42.049 42.059 0.113 0.000 1.074 1059 L HN -0.018 nan 8.230 nan 0.000 0.479 1060 R N 0.521 121.048 120.500 0.045 0.000 2.404 1060 R HA 0.015 4.358 4.340 0.005 0.000 0.236 1060 R C 0.939 177.216 176.300 -0.039 0.000 1.044 1060 R CA 0.528 56.626 56.100 -0.004 0.000 1.133 1060 R CB 0.043 30.331 30.300 -0.020 0.000 1.142 1060 R HN 0.616 nan 8.270 nan 0.000 0.512 1061 E N -2.317 117.857 120.200 -0.043 0.000 2.511 1061 E HA -0.042 4.311 4.350 0.005 0.000 0.209 1061 E C 0.412 176.873 176.600 -0.232 0.000 0.986 1061 E CA 0.196 56.519 56.400 -0.129 0.000 0.974 1061 E CB 0.255 29.870 29.700 -0.141 0.000 1.030 1061 E HN 0.418 nan 8.360 nan 0.000 0.490 1062 H N 0.131 119.165 119.070 -0.060 0.000 2.639 1062 H HA 0.297 4.856 4.556 0.006 0.000 0.267 1062 H C 0.652 175.823 175.328 -0.263 0.000 0.958 1062 H CA 0.771 56.767 56.048 -0.086 0.000 1.221 1062 H CB 1.565 31.334 29.762 0.011 0.000 1.446 1062 H HN 0.322 nan 8.280 nan 0.000 0.512 1063 G N -0.080 108.617 108.800 -0.172 0.000 2.245 1063 G HA2 -0.180 3.783 3.960 0.005 0.000 0.130 1063 G HA3 -0.180 3.783 3.960 0.005 0.000 0.130 1063 G C -1.047 173.549 174.900 -0.506 0.000 1.040 1063 G CA -0.683 44.208 45.100 -0.347 0.000 0.713 1063 G HN 0.272 nan 8.290 nan 0.000 0.488 1064 Y N -0.621 119.664 120.300 -0.025 0.000 2.386 1064 Y HA 0.530 5.084 4.550 0.005 0.000 0.334 1064 Y C 0.436 176.297 175.900 -0.064 0.000 1.002 1064 Y CA -1.361 56.707 58.100 -0.054 0.000 1.068 1064 Y CB 1.745 40.168 38.460 -0.063 0.000 1.203 1064 Y HN 0.341 nan 8.280 nan 0.000 0.443 1065 Q N 1.772 121.615 119.800 0.072 0.000 3.359 1065 Q HA -0.148 4.195 4.340 0.005 0.000 0.378 1065 Q C 0.875 176.864 176.000 -0.019 0.000 1.043 1065 Q CA 0.993 56.787 55.803 -0.016 0.000 1.248 1065 Q CB 0.504 29.204 28.738 -0.063 0.000 0.987 1065 Q HN 0.744 nan 8.270 nan 0.000 0.436 1066 S N 3.823 119.502 115.700 -0.035 0.000 2.626 1066 S HA -0.085 4.389 4.470 0.005 0.000 0.245 1066 S C 0.273 174.844 174.600 -0.049 0.000 0.973 1066 S CA 0.506 58.691 58.200 -0.026 0.000 0.959 1066 S CB -0.012 63.172 63.200 -0.026 0.000 0.762 1066 S HN 0.661 nan 8.310 nan 0.000 0.539 1067 R N 0.321 120.780 120.500 -0.068 0.000 2.700 1067 R HA 0.399 4.742 4.340 0.005 0.000 0.377 1067 R C 1.517 177.667 176.300 -0.250 0.000 1.130 1067 R CA 0.212 56.265 56.100 -0.079 0.000 1.055 1067 R CB -0.513 29.782 30.300 -0.009 0.000 1.387 1067 R HN 0.480 nan 8.270 nan 0.000 0.580 1068 G N 1.010 109.607 108.800 -0.337 0.000 4.365 1068 G HA2 -0.333 3.631 3.960 0.005 0.000 0.214 1068 G HA3 -0.333 3.631 3.960 0.005 0.000 0.214 1068 G C 0.247 175.016 174.900 -0.220 0.000 1.450 1068 G CA -0.181 44.530 45.100 -0.648 0.000 0.937 1068 G HN 0.190 nan 8.290 nan 0.000 0.625 1069 F N 2.321 122.021 119.950 -0.417 0.000 2.696 1069 F HA 0.489 5.019 4.527 0.006 0.000 0.319 1069 F C 1.217 176.930 175.800 -0.145 0.000 1.218 1069 F CA 0.766 58.645 58.000 -0.202 0.000 1.369 1069 F CB 0.074 38.990 39.000 -0.140 0.000 1.111 1069 F HN 0.427 nan 8.300 nan 0.000 0.615 1070 E N -0.815 119.434 120.200 0.081 0.000 2.343 1070 E HA 0.417 4.770 4.350 0.005 0.000 0.278 1070 E C -1.625 174.929 176.600 -0.077 0.000 0.910 1070 E CA -0.890 55.473 56.400 -0.061 0.000 0.757 1070 E CB 2.700 32.237 29.700 -0.272 0.000 1.218 1070 E HN 0.186 nan 8.360 nan 0.000 0.435 1071 V N 3.706 123.536 119.914 -0.139 0.000 2.508 1071 V HA 0.253 4.377 4.120 0.005 0.000 0.281 1071 V C 0.164 176.011 176.094 -0.411 0.000 1.041 1071 V CA 0.501 62.657 62.300 -0.239 0.000 1.016 1071 V CB 0.399 32.074 31.823 -0.246 0.000 0.984 1071 V HN 0.642 nan 8.190 nan 0.000 0.478 1072 M N 4.283 123.603 119.600 -0.468 0.000 2.755 1072 M HA 0.611 5.094 4.480 0.005 0.000 0.298 1072 M C -1.701 174.139 176.300 -0.767 0.000 1.251 1072 M CA -0.677 54.301 55.300 -0.536 0.000 0.817 1072 M CB 2.911 35.397 32.600 -0.191 0.000 1.760 1072 M HN 0.528 nan 8.290 nan 0.000 0.473 1073 Y N 0.114 120.226 120.300 -0.314 0.000 2.391 1073 Y HA 0.325 4.878 4.550 0.005 0.000 0.341 1073 Y C 0.133 176.105 175.900 0.120 0.000 0.965 1073 Y CA -1.221 56.788 58.100 -0.153 0.000 1.067 1073 Y CB 0.893 39.161 38.460 -0.320 0.000 1.199 1073 Y HN 0.566 nan 8.280 nan 0.000 0.450 1074 N N 1.383 120.238 118.700 0.258 0.000 2.293 1074 N HA -0.082 4.662 4.740 0.005 0.000 0.253 1074 N C 1.017 176.687 175.510 0.267 0.000 1.248 1074 N CA 1.100 54.294 53.050 0.240 0.000 0.845 1074 N CB 1.433 40.026 38.487 0.177 0.000 1.073 1074 N HN 1.053 nan 8.380 nan 0.000 0.464 1075 G N 2.585 111.458 108.800 0.121 0.000 2.464 1075 G HA2 -0.179 3.785 3.960 0.005 0.000 0.217 1075 G HA3 -0.179 3.785 3.960 0.005 0.000 0.217 1075 G C 1.122 176.066 174.900 0.073 0.000 1.138 1075 G CA 0.434 45.565 45.100 0.052 0.000 0.793 1075 G HN 0.718 nan 8.290 nan 0.000 0.539 1076 H N 0.944 120.069 119.070 0.091 0.000 2.333 1076 H HA -0.011 4.548 4.556 0.005 0.000 0.302 1076 H C 2.795 178.155 175.328 0.054 0.000 1.075 1076 H CA 1.809 57.882 56.048 0.042 0.000 1.348 1076 H CB -0.734 29.038 29.762 0.017 0.000 1.393 1076 H HN 0.361 nan 8.280 nan 0.000 0.509 1077 T N -2.212 112.457 114.554 0.193 0.000 2.904 1077 T HA 0.292 4.645 4.350 0.005 0.000 0.243 1077 T C 1.846 176.625 174.700 0.132 0.000 1.024 1077 T CA 1.127 63.311 62.100 0.140 0.000 1.158 1077 T CB -0.190 68.755 68.868 0.128 0.000 0.867 1077 T HN 0.532 nan 8.240 nan 0.000 0.429 1078 G N 1.098 110.009 108.800 0.185 0.000 2.284 1078 G HA2 -0.177 3.786 3.960 0.005 0.000 0.201 1078 G HA3 -0.177 3.786 3.960 0.005 0.000 0.201 1078 G C 0.150 175.177 174.900 0.211 0.000 0.998 1078 G CA 0.001 45.228 45.100 0.212 0.000 0.651 1078 G HN 0.639 nan 8.290 nan 0.000 0.489 1079 K N 1.372 121.888 120.400 0.192 0.000 2.508 1079 K HA 0.279 4.602 4.320 0.005 0.000 0.273 1079 K C 0.808 177.593 176.600 0.308 0.000 0.964 1079 K CA 0.367 56.773 56.287 0.198 0.000 0.948 1079 K CB 0.259 32.841 32.500 0.137 0.000 0.917 1079 K HN 0.253 nan 8.250 nan 0.000 0.512 1080 K N 2.048 122.610 120.400 0.270 0.000 2.219 1080 K HA 0.116 4.440 4.320 0.005 0.000 0.258 1080 K C -0.307 176.299 176.600 0.010 0.000 1.008 1080 K CA -0.195 56.165 56.287 0.122 0.000 0.928 1080 K CB 0.466 33.000 32.500 0.056 0.000 0.983 1080 K HN 0.422 nan 8.250 nan 0.000 0.484 1081 L N 4.106 125.259 121.223 -0.116 0.000 2.315 1081 L HA 0.104 4.448 4.340 0.005 0.000 0.278 1081 L C 1.415 178.261 176.870 -0.039 0.000 1.088 1081 L CA -0.260 54.549 54.840 -0.053 0.000 0.899 1081 L CB 0.620 42.642 42.059 -0.062 0.000 1.277 1081 L HN 0.702 nan 8.230 nan 0.000 0.431 1082 M N 1.745 121.344 119.600 -0.002 0.000 2.579 1082 M HA -0.219 4.264 4.480 0.005 0.000 0.249 1082 M C 0.522 176.826 176.300 0.006 0.000 1.113 1082 M CA 1.116 56.419 55.300 0.006 0.000 1.012 1082 M CB -0.736 31.878 32.600 0.023 0.000 1.353 1082 M HN 0.640 nan 8.290 nan 0.000 0.456 1083 A N -0.321 122.505 122.820 0.009 0.000 2.547 1083 A HA 0.612 4.935 4.320 0.005 0.000 0.297 1083 A C -0.818 176.786 177.584 0.035 0.000 1.056 1083 A CA -0.877 51.176 52.037 0.026 0.000 0.688 1083 A CB 1.181 20.208 19.000 0.046 0.000 1.282 1083 A HN 0.289 nan 8.150 nan 0.000 0.400 1084 Q N 0.092 119.935 119.800 0.071 0.000 2.193 1084 Q HA 0.807 5.150 4.340 0.005 0.000 0.246 1084 Q C -0.967 175.166 176.000 0.222 0.000 0.959 1084 Q CA -0.146 55.716 55.803 0.098 0.000 0.904 1084 Q CB 1.575 30.364 28.738 0.084 0.000 1.238 1084 Q HN 0.576 nan 8.270 nan 0.000 0.469 1085 I N 1.124 121.791 120.570 0.162 0.000 2.503 1085 I HA 0.248 4.421 4.170 0.005 0.000 0.282 1085 I C -0.911 175.231 176.117 0.042 0.000 1.059 1085 I CA -0.618 60.724 61.300 0.070 0.000 1.081 1085 I CB 1.017 39.048 38.000 0.052 0.000 1.210 1085 I HN 0.571 nan 8.210 nan 0.000 0.450 1086 F N 7.409 127.086 119.950 -0.455 0.000 2.604 1086 F HA 0.054 4.584 4.527 0.006 0.000 0.393 1086 F C -0.651 175.068 175.800 -0.134 0.000 1.043 1086 F CA 0.427 58.117 58.000 -0.516 0.000 1.227 1086 F CB 0.262 38.832 39.000 -0.717 0.000 1.016 1086 F HN 0.448 nan 8.300 nan 0.000 0.556 1087 F N 6.146 126.290 119.950 0.324 0.000 2.588 1087 F HA 0.646 5.177 4.527 0.005 0.000 0.314 1087 F C -0.787 175.054 175.800 0.069 0.000 1.134 1087 F CA -0.314 57.735 58.000 0.081 0.000 0.961 1087 F CB 1.770 40.756 39.000 -0.023 0.000 1.239 1087 F HN 0.670 nan 8.300 nan 0.000 0.448 1088 G N 5.015 114.140 108.800 0.542 0.000 2.377 1088 G HA2 0.377 4.341 3.960 0.005 0.000 0.297 1088 G HA3 0.377 4.341 3.960 0.005 0.000 0.297 1088 G C -3.651 171.314 174.900 0.108 0.000 1.547 1088 G CA -0.955 44.322 45.100 0.295 0.000 0.833 1088 G HN 0.336 nan 8.290 nan 0.000 0.583 1089 P HA 0.639 nan 4.420 nan 0.000 0.276 1089 P C -0.424 176.896 177.300 0.034 0.000 1.252 1089 P CA 0.035 63.162 63.100 0.044 0.000 0.802 1089 P CB 1.688 33.407 31.700 0.031 0.000 1.035 1090 T N -1.235 113.361 114.554 0.070 0.000 2.722 1090 T HA 0.178 4.531 4.350 0.005 0.000 0.314 1090 T C -1.272 173.559 174.700 0.218 0.000 1.675 1090 T CA -0.381 61.780 62.100 0.102 0.000 1.003 1090 T CB 0.097 69.022 68.868 0.095 0.000 1.602 1090 T HN 0.178 nan 8.240 nan 0.000 0.496 1091 Y N 0.579 120.898 120.300 0.032 0.000 2.301 1091 Y HA 0.648 5.202 4.550 0.005 0.000 0.328 1091 Y C -0.673 175.258 175.900 0.052 0.000 1.242 1091 Y CA -1.211 56.922 58.100 0.055 0.000 1.323 1091 Y CB 0.545 39.006 38.460 0.002 0.000 1.266 1091 Y HN 0.612 nan 8.280 nan 0.000 0.527 1092 Y N 1.673 122.133 120.300 0.266 0.000 2.492 1092 Y HA 0.334 4.887 4.550 0.005 0.000 0.346 1092 Y C -0.662 175.270 175.900 0.054 0.000 0.997 1092 Y CA -0.960 57.253 58.100 0.188 0.000 1.025 1092 Y CB 1.909 40.523 38.460 0.256 0.000 1.263 1092 Y HN 0.436 nan 8.280 nan 0.000 0.454 1093 Q N 3.063 122.947 119.800 0.140 0.000 2.271 1093 Q HA 0.418 4.762 4.340 0.005 0.000 0.258 1093 Q C -0.583 175.502 176.000 0.141 0.000 0.936 1093 Q CA -1.113 54.721 55.803 0.050 0.000 0.909 1093 Q CB 1.580 30.313 28.738 -0.007 0.000 1.253 1093 Q HN 0.224 nan 8.270 nan 0.000 0.440 1094 R N 3.615 124.177 120.500 0.104 0.000 2.296 1094 R HA 0.272 4.615 4.340 0.005 0.000 0.327 1094 R C -0.868 175.441 176.300 0.015 0.000 1.137 1094 R CA -0.119 56.066 56.100 0.142 0.000 1.020 1094 R CB -0.494 29.914 30.300 0.181 0.000 1.110 1094 R HN 0.639 nan 8.270 nan 0.000 0.499 1095 L N 3.753 124.962 121.223 -0.022 0.000 2.468 1095 L HA 0.380 4.723 4.340 0.005 0.000 0.254 1095 L C 1.844 178.757 176.870 0.073 0.000 1.171 1095 L CA -0.743 54.139 54.840 0.070 0.000 0.809 1095 L CB 0.212 42.331 42.059 0.100 0.000 1.155 1095 L HN 0.525 nan 8.230 nan 0.000 0.473 1096 R N -0.426 120.165 120.500 0.152 0.000 0.855 1096 R HA 0.087 4.430 4.340 0.005 0.000 0.046 1096 R C 0.108 176.360 176.300 -0.080 0.000 0.423 1096 R CA -0.306 55.754 56.100 -0.067 0.000 2.157 1096 R CB -0.582 29.476 30.300 -0.404 0.000 0.469 1096 R HN 0.677 nan 8.270 nan 0.000 0.801 1097 H N -0.720 118.267 119.070 -0.139 0.000 1.452 1097 H HA -0.285 4.274 4.556 0.006 0.000 0.090 1097 H C 0.472 175.711 175.328 -0.147 0.000 2.377 1097 H CA 1.080 57.049 56.048 -0.133 0.000 1.901 1097 H CB -1.069 28.614 29.762 -0.130 0.000 2.257 1097 H HN 0.867 nan 8.280 nan 0.000 0.961 1098 M N -2.594 117.015 119.600 0.016 0.000 7.307 1098 M HA -0.204 4.279 4.480 0.005 0.000 0.157 1098 M C 0.173 176.452 176.300 -0.035 0.000 0.490 1098 M CA 1.790 57.056 55.300 -0.057 0.000 1.310 1098 M CB -1.285 31.229 32.600 -0.143 0.000 0.430 1098 M HN 0.584 nan 8.290 nan 0.000 0.190 1099 V N -3.105 116.795 119.914 -0.024 0.000 2.950 1099 V HA 0.232 4.355 4.120 0.005 0.000 0.231 1099 V C 0.851 176.949 176.094 0.007 0.000 1.205 1099 V CA 0.896 63.190 62.300 -0.011 0.000 1.239 1099 V CB -0.579 31.233 31.823 -0.018 0.000 1.050 1099 V HN 0.940 nan 8.190 nan 0.000 0.498 1100 D N 2.949 123.355 120.400 0.011 0.000 2.778 1100 D HA 0.059 4.702 4.640 0.005 0.000 0.248 1100 D C 0.026 176.344 176.300 0.029 0.000 1.302 1100 D CA 1.242 55.255 54.000 0.022 0.000 1.030 1100 D CB -0.771 40.044 40.800 0.024 0.000 1.151 1100 D HN 0.976 nan 8.370 nan 0.000 0.450 1101 D N -1.906 118.507 120.400 0.021 0.000 2.969 1101 D HA 0.002 4.645 4.640 0.005 0.000 0.317 1101 D C 0.888 177.188 176.300 0.000 0.000 1.650 1101 D CA -0.487 53.524 54.000 0.018 0.000 0.789 1101 D CB 0.239 41.065 40.800 0.044 0.000 1.277 1101 D HN 0.100 nan 8.370 nan 0.000 0.463 1102 K N -0.005 120.401 120.400 0.010 0.000 2.598 1102 K HA 0.208 4.531 4.320 0.005 0.000 0.214 1102 K C 0.318 176.946 176.600 0.047 0.000 1.575 1102 K CA -0.312 55.983 56.287 0.012 0.000 1.042 1102 K CB 0.680 33.188 32.500 0.013 0.000 1.338 1102 K HN 0.104 nan 8.250 nan 0.000 0.590 1103 I N 3.666 124.267 120.570 0.052 0.000 2.821 1103 I HA -0.107 4.066 4.170 0.005 0.000 0.294 1103 I C -0.135 176.067 176.117 0.142 0.000 1.210 1103 I CA 0.770 62.115 61.300 0.075 0.000 1.430 1103 I CB -0.066 37.962 38.000 0.047 0.000 1.356 1103 I HN 0.268 nan 8.210 nan 0.000 0.563 1104 H N 5.320 124.393 119.070 0.004 0.000 3.079 1104 H HA 0.814 5.373 4.556 0.006 0.000 0.356 1104 H C -1.514 173.818 175.328 0.007 0.000 1.221 1104 H CA -0.543 55.508 56.048 0.005 0.000 1.185 1104 H CB 1.498 31.262 29.762 0.005 0.000 1.882 1104 H HN 0.627 nan 8.280 nan 0.000 0.543 1105 A N 3.909 126.437 122.820 -0.488 0.000 2.569 1105 A HA 0.863 5.186 4.320 0.005 0.000 0.290 1105 A C -1.410 175.855 177.584 -0.533 0.000 1.136 1105 A CA -0.801 50.978 52.037 -0.429 0.000 0.710 1105 A CB 2.007 20.909 19.000 -0.164 0.000 1.303 1105 A HN 0.720 nan 8.150 nan 0.000 0.413 1106 R N -0.012 120.310 120.500 -0.297 0.000 2.579 1106 R HA 0.587 4.930 4.340 0.005 0.000 0.260 1106 R C -1.964 174.285 176.300 -0.084 0.000 1.103 1106 R CA 0.021 56.029 56.100 -0.152 0.000 0.942 1106 R CB 1.766 31.998 30.300 -0.113 0.000 1.251 1106 R HN 1.506 nan 8.270 nan 0.000 0.450 1107 A N 4.874 127.663 122.820 -0.051 0.000 2.842 1107 A HA 0.405 4.728 4.320 0.005 0.000 0.339 1107 A C -0.282 177.287 177.584 -0.025 0.000 1.177 1107 A CA -0.405 51.610 52.037 -0.037 0.000 0.797 1107 A CB 0.363 19.344 19.000 -0.031 0.000 1.094 1107 A HN 0.954 nan 8.150 nan 0.000 0.474 1108 R N 0.430 120.915 120.500 -0.025 0.000 1.602 1108 R HA -0.134 4.209 4.340 0.005 0.000 0.389 1108 R C 0.177 176.471 176.300 -0.010 0.000 1.286 1108 R CA 1.035 57.124 56.100 -0.018 0.000 1.170 1108 R CB -1.049 29.240 30.300 -0.018 0.000 3.387 1108 R HN 1.430 nan 8.270 nan 0.000 0.484 1109 G N 4.287 113.085 108.800 -0.004 0.000 3.392 1109 G HA2 0.705 4.668 3.960 0.005 0.000 0.185 1109 G HA3 0.705 4.668 3.960 0.005 0.000 0.185 1109 G C -2.654 172.246 174.900 -0.000 0.000 1.206 1109 G CA -0.241 44.863 45.100 0.006 0.000 0.776 1109 G HN 0.563 nan 8.290 nan 0.000 0.697 1110 P HA 0.639 nan 4.420 nan 0.000 0.285 1110 P C -1.038 176.251 177.300 -0.018 0.000 1.269 1110 P CA -0.425 62.671 63.100 -0.008 0.000 0.844 1110 P CB 1.956 33.655 31.700 -0.003 0.000 1.094 1111 M N 0.199 119.778 119.600 -0.035 0.000 2.716 1111 M HA 0.342 4.825 4.480 0.005 0.000 0.307 1111 M C 0.490 176.753 176.300 -0.061 0.000 1.223 1111 M CA -0.713 54.556 55.300 -0.053 0.000 0.871 1111 M CB 1.995 34.549 32.600 -0.077 0.000 1.739 1111 M HN 0.286 nan 8.290 nan 0.000 0.475 1112 Q N -0.211 119.547 119.800 -0.070 0.000 2.471 1112 Q HA 0.172 4.516 4.340 0.005 0.000 0.223 1112 Q C 0.555 176.495 176.000 -0.100 0.000 1.045 1112 Q CA -0.259 55.502 55.803 -0.069 0.000 0.956 1112 Q CB 0.931 29.634 28.738 -0.059 0.000 1.249 1112 Q HN 0.620 nan 8.270 nan 0.000 0.549 1113 V N 0.422 120.288 119.914 -0.079 0.000 3.125 1113 V HA -0.077 4.046 4.120 0.005 0.000 0.249 1113 V C 1.393 177.430 176.094 -0.096 0.000 1.113 1113 V CA 0.437 62.682 62.300 -0.091 0.000 1.106 1113 V CB -0.149 31.645 31.823 -0.049 0.000 0.768 1113 V HN 0.586 nan 8.190 nan 0.000 0.468 1114 L N 1.730 122.917 121.223 -0.060 0.000 2.492 1114 L HA 0.113 4.456 4.340 0.005 0.000 0.223 1114 L C 1.707 178.580 176.870 0.004 0.000 1.132 1114 L CA 2.194 57.026 54.840 -0.013 0.000 0.850 1114 L CB -0.416 41.644 42.059 0.001 0.000 0.966 1114 L HN 0.631 nan 8.230 nan 0.000 0.454 1115 T N -6.392 108.103 114.554 -0.098 0.000 3.191 1115 T HA 0.165 4.519 4.350 0.005 0.000 0.285 1115 T C 0.573 175.078 174.700 -0.325 0.000 0.887 1115 T CA -0.223 61.826 62.100 -0.086 0.000 0.881 1115 T CB 0.103 68.961 68.868 -0.016 0.000 1.217 1115 T HN 0.096 nan 8.240 nan 0.000 0.591 1116 R N 0.778 121.020 120.500 -0.429 0.000 3.758 1116 R HA -0.150 4.193 4.340 0.005 0.000 0.299 1116 R C -0.347 175.831 176.300 -0.204 0.000 1.182 1116 R CA 0.638 56.498 56.100 -0.399 0.000 0.809 1116 R CB -2.848 27.065 30.300 -0.646 0.000 1.249 1116 R HN 0.694 nan 8.270 nan 0.000 0.497 1117 Q N 0.901 120.622 119.800 -0.132 0.000 2.215 1117 Q HA 0.431 4.774 4.340 0.005 0.000 0.256 1117 Q C -2.054 173.912 176.000 -0.058 0.000 0.972 1117 Q CA -2.046 53.714 55.803 -0.071 0.000 0.889 1117 Q CB 1.588 30.302 28.738 -0.040 0.000 1.281 1117 Q HN -0.054 nan 8.270 nan 0.000 0.456 1118 P HA -0.040 nan 4.420 nan 0.000 0.269 1118 P C -0.570 176.726 177.300 -0.008 0.000 1.209 1118 P CA -0.015 63.074 63.100 -0.019 0.000 0.776 1118 P CB 0.472 32.169 31.700 -0.006 0.000 0.876 1119 V N 0.256 120.169 119.914 -0.003 0.000 2.924 1119 V HA 0.209 4.332 4.120 0.005 0.000 0.305 1119 V C 0.692 176.792 176.094 0.010 0.000 1.073 1119 V CA -0.552 61.748 62.300 -0.001 0.000 1.098 1119 V CB -0.082 31.738 31.823 -0.005 0.000 1.000 1119 V HN 0.577 nan 8.190 nan 0.000 0.484 1120 E N 1.940 122.141 120.200 0.002 0.000 2.343 1120 E HA 0.520 4.874 4.350 0.005 0.000 0.269 1120 E C 0.302 176.891 176.600 -0.019 0.000 1.047 1120 E CA 0.237 56.637 56.400 -0.001 0.000 0.874 1120 E CB 1.149 30.847 29.700 -0.003 0.000 1.033 1120 E HN 1.468 nan 8.360 nan 0.000 0.409 1121 G N 4.801 113.577 108.800 -0.040 0.000 2.599 1121 G HA2 -0.177 3.786 3.960 0.005 0.000 0.440 1121 G HA3 -0.177 3.786 3.960 0.005 0.000 0.440 1121 G C 0.502 175.305 174.900 -0.162 0.000 1.018 1121 G CA 0.076 45.127 45.100 -0.080 0.000 1.311 1121 G HN 0.742 nan 8.290 nan 0.000 0.604 1122 R N 0.955 121.275 120.500 -0.300 0.000 2.362 1122 R HA -0.419 3.925 4.340 0.005 0.000 0.211 1122 R C 2.784 178.828 176.300 -0.426 0.000 1.022 1122 R CA 3.878 59.574 56.100 -0.673 0.000 0.630 1122 R CB -1.251 28.791 30.300 -0.431 0.000 0.874 1122 R HN 1.366 nan 8.270 nan 0.000 0.324 1123 S N 0.158 115.731 115.700 -0.211 0.000 2.368 1123 S HA -0.199 4.274 4.470 0.005 0.000 0.226 1123 S C 2.018 176.577 174.600 -0.069 0.000 1.044 1123 S CA 1.560 59.695 58.200 -0.108 0.000 1.062 1123 S CB -0.610 62.548 63.200 -0.070 0.000 0.931 1123 S HN 0.513 nan 8.310 nan 0.000 0.440 1124 R N 1.219 121.681 120.500 -0.063 0.000 2.346 1124 R HA -0.000 4.343 4.340 0.005 0.000 0.199 1124 R C -0.313 175.985 176.300 -0.003 0.000 1.015 1124 R CA 0.725 56.809 56.100 -0.027 0.000 1.058 1124 R CB -0.621 29.665 30.300 -0.025 0.000 0.921 1124 R HN 0.442 nan 8.270 nan 0.000 0.475 1125 D N -1.345 119.059 120.400 0.007 0.000 2.775 1125 D HA -0.121 4.522 4.640 0.005 0.000 0.235 1125 D C 0.401 176.785 176.300 0.140 0.000 1.120 1125 D CA 0.851 54.917 54.000 0.110 0.000 0.708 1125 D CB -0.942 39.909 40.800 0.085 0.000 1.084 1125 D HN 0.499 nan 8.370 nan 0.000 0.434 1126 G N -0.573 108.292 108.800 0.110 0.000 2.379 1126 G HA2 0.513 4.477 3.960 0.005 0.000 0.287 1126 G HA3 0.513 4.477 3.960 0.005 0.000 0.287 1126 G C 0.597 175.631 174.900 0.223 0.000 1.422 1126 G CA 0.133 45.310 45.100 0.129 0.000 1.081 1126 G HN 0.835 nan 8.290 nan 0.000 0.569 1127 G N -1.843 107.056 108.800 0.164 0.000 2.755 1127 G HA2 0.501 4.465 3.960 0.005 0.000 0.297 1127 G HA3 0.501 4.465 3.960 0.005 0.000 0.297 1127 G C -1.081 173.876 174.900 0.095 0.000 1.441 1127 G CA -0.873 44.291 45.100 0.106 0.000 0.964 1127 G HN 0.581 nan 8.290 nan 0.000 0.540 1128 L N 1.866 123.141 121.223 0.086 0.000 2.292 1128 L HA 0.517 4.860 4.340 0.005 0.000 0.284 1128 L C 1.222 178.149 176.870 0.095 0.000 1.065 1128 L CA -0.936 53.961 54.840 0.095 0.000 0.806 1128 L CB 1.317 43.436 42.059 0.099 0.000 1.175 1128 L HN 0.500 nan 8.230 nan 0.000 0.431 1129 R N 1.651 122.203 120.500 0.087 0.000 2.638 1129 R HA -0.038 4.306 4.340 0.005 0.000 0.268 1129 R C -0.529 175.867 176.300 0.161 0.000 1.006 1129 R CA 0.122 56.282 56.100 0.100 0.000 1.088 1129 R CB 0.332 30.669 30.300 0.061 0.000 0.950 1129 R HN 0.489 nan 8.270 nan 0.000 0.419 1130 F N 4.227 124.173 119.950 -0.007 0.000 2.732 1130 F HA 0.327 4.857 4.527 0.005 0.000 0.312 1130 F C 0.544 176.339 175.800 -0.007 0.000 1.240 1130 F CA -0.503 57.491 58.000 -0.010 0.000 1.211 1130 F CB 0.196 39.173 39.000 -0.038 0.000 1.331 1130 F HN 0.676 nan 8.300 nan 0.000 0.537 1131 G N 1.647 110.410 108.800 -0.061 0.000 2.568 1131 G HA2 -0.107 3.857 3.960 0.005 0.000 0.231 1131 G HA3 -0.107 3.857 3.960 0.005 0.000 0.231 1131 G C 0.945 175.767 174.900 -0.131 0.000 1.261 1131 G CA 0.082 45.140 45.100 -0.070 0.000 0.855 1131 G HN 0.751 nan 8.290 nan 0.000 0.576 1132 E N 1.202 121.362 120.200 -0.066 0.000 2.187 1132 E HA -0.278 4.075 4.350 0.005 0.000 0.199 1132 E C 2.170 178.712 176.600 -0.097 0.000 1.004 1132 E CA 1.224 57.587 56.400 -0.061 0.000 0.813 1132 E CB -0.225 29.459 29.700 -0.027 0.000 0.736 1132 E HN 0.425 nan 8.360 nan 0.000 0.468 1133 M N 1.087 120.625 119.600 -0.103 0.000 2.255 1133 M HA -0.214 4.269 4.480 0.005 0.000 0.260 1133 M C 2.137 178.332 176.300 -0.175 0.000 1.069 1133 M CA 1.899 57.134 55.300 -0.109 0.000 1.089 1133 M CB -1.032 31.513 32.600 -0.092 0.000 1.269 1133 M HN 0.030 nan 8.290 nan 0.000 0.434 1134 E N -0.144 119.876 120.200 -0.300 0.000 2.086 1134 E HA -0.252 4.101 4.350 0.005 0.000 0.205 1134 E C 1.918 178.233 176.600 -0.476 0.000 1.027 1134 E CA 2.079 58.169 56.400 -0.517 0.000 0.830 1134 E CB -0.577 28.478 29.700 -1.075 0.000 0.751 1134 E HN 0.413 nan 8.360 nan 0.000 0.456 1135 R N 0.752 120.988 120.500 -0.439 0.000 2.113 1135 R HA -0.242 4.101 4.340 0.005 0.000 0.244 1135 R C 1.525 177.807 176.300 -0.030 0.000 1.142 1135 R CA 2.153 58.178 56.100 -0.124 0.000 0.953 1135 R CB -0.402 29.889 30.300 -0.016 0.000 0.860 1135 R HN 0.193 nan 8.270 nan 0.000 0.438 1136 D N 0.410 120.777 120.400 -0.055 0.000 2.126 1136 D HA -0.203 4.440 4.640 0.005 0.000 0.190 1136 D C 2.043 178.343 176.300 -0.001 0.000 1.001 1136 D CA 1.842 55.829 54.000 -0.022 0.000 0.841 1136 D CB -0.567 40.211 40.800 -0.037 0.000 0.949 1136 D HN 0.416 nan 8.370 nan 0.000 0.446 1137 C N 0.393 119.689 119.300 -0.006 0.000 2.425 1137 C HA -0.079 4.384 4.460 0.005 0.000 0.277 1137 C C 2.684 177.792 174.990 0.197 0.000 1.280 1137 C CA 0.147 59.196 59.018 0.051 0.000 1.744 1137 C CB -0.751 27.025 27.740 0.060 0.000 1.989 1137 C HN 0.284 nan 8.230 nan 0.000 0.491 1138 M N 0.892 120.618 119.600 0.210 0.000 2.149 1138 M HA -0.047 4.436 4.480 0.005 0.000 0.261 1138 M C 1.840 178.291 176.300 0.252 0.000 1.064 1138 M CA 1.520 57.014 55.300 0.323 0.000 1.102 1138 M CB -0.874 31.947 32.600 0.369 0.000 1.369 1138 M HN 0.355 nan 8.290 nan 0.000 0.408 1139 I N -1.030 119.629 120.570 0.149 0.000 2.193 1139 I HA -0.220 3.954 4.170 0.005 0.000 0.240 1139 I C 2.411 178.570 176.117 0.071 0.000 1.084 1139 I CA 1.000 62.362 61.300 0.104 0.000 1.365 1139 I CB -0.957 37.083 38.000 0.065 0.000 1.064 1139 I HN 0.233 nan 8.210 nan 0.000 0.410 1140 A N 0.788 123.615 122.820 0.013 0.000 1.909 1140 A HA -0.356 3.967 4.320 0.005 0.000 0.221 1140 A C 2.121 179.660 177.584 -0.075 0.000 1.223 1140 A CA 2.628 54.621 52.037 -0.073 0.000 0.658 1140 A CB -1.540 17.355 19.000 -0.175 0.000 0.831 1140 A HN 0.549 nan 8.150 nan 0.000 0.462 1141 H N -2.037 117.061 119.070 0.045 0.000 2.423 1141 H HA 0.209 4.769 4.556 0.005 0.000 0.297 1141 H C 1.860 177.217 175.328 0.048 0.000 1.075 1141 H CA 1.276 57.350 56.048 0.045 0.000 1.342 1141 H CB -0.028 29.769 29.762 0.058 0.000 1.395 1141 H HN 0.793 nan 8.280 nan 0.000 0.530 1142 G N -0.224 108.683 108.800 0.178 0.000 2.205 1142 G HA2 -0.331 3.632 3.960 0.005 0.000 0.261 1142 G HA3 -0.331 3.632 3.960 0.005 0.000 0.261 1142 G C 0.607 175.587 174.900 0.133 0.000 0.980 1142 G CA 0.186 45.360 45.100 0.123 0.000 0.632 1142 G HN 0.682 nan 8.290 nan 0.000 0.533 1143 A N 0.323 123.246 122.820 0.172 0.000 2.639 1143 A HA 0.735 5.058 4.320 0.005 0.000 0.295 1143 A C 1.485 179.194 177.584 0.210 0.000 1.443 1143 A CA 1.233 53.365 52.037 0.159 0.000 1.117 1143 A CB -0.028 19.044 19.000 0.120 0.000 1.098 1143 A HN 1.731 nan 8.150 nan 0.000 0.552 1144 A N 1.842 124.751 122.820 0.149 0.000 2.035 1144 A HA 0.141 4.465 4.320 0.005 0.000 0.208 1144 A C 2.235 179.878 177.584 0.098 0.000 1.206 1144 A CA 1.102 53.211 52.037 0.120 0.000 0.773 1144 A CB -0.474 18.577 19.000 0.085 0.000 0.878 1144 A HN 1.072 nan 8.150 nan 0.000 0.469 1145 S N -0.386 115.375 115.700 0.101 0.000 2.402 1145 S HA -0.136 4.337 4.470 0.005 0.000 0.229 1145 S C 1.700 176.353 174.600 0.090 0.000 1.021 1145 S CA 1.290 59.536 58.200 0.076 0.000 0.974 1145 S CB -0.651 62.589 63.200 0.067 0.000 0.800 1145 S HN 0.572 nan 8.310 nan 0.000 0.484 1146 F N 2.561 122.505 119.950 -0.011 0.000 2.206 1146 F HA 0.183 4.714 4.527 0.005 0.000 0.298 1146 F C 1.945 177.714 175.800 -0.051 0.000 1.090 1146 F CA 0.543 58.522 58.000 -0.035 0.000 1.323 1146 F CB -0.275 38.712 39.000 -0.021 0.000 1.028 1146 F HN 0.175 nan 8.300 nan 0.000 0.492 1147 L N 1.151 122.295 121.223 -0.131 0.000 2.046 1147 L HA -0.204 4.139 4.340 0.005 0.000 0.208 1147 L C 2.280 179.036 176.870 -0.189 0.000 1.077 1147 L CA 2.086 56.821 54.840 -0.175 0.000 0.747 1147 L CB -1.039 41.062 42.059 0.070 0.000 0.896 1147 L HN 0.313 nan 8.230 nan 0.000 0.432 1148 K N 0.051 120.392 120.400 -0.099 0.000 2.057 1148 K HA -0.258 4.065 4.320 0.005 0.000 0.206 1148 K C 2.011 178.525 176.600 -0.142 0.000 1.050 1148 K CA 1.718 57.955 56.287 -0.083 0.000 0.935 1148 K CB -0.050 32.434 32.500 -0.027 0.000 0.715 1148 K HN 0.459 nan 8.250 nan 0.000 0.439 1149 E N 0.209 120.304 120.200 -0.175 0.000 2.031 1149 E HA -0.204 4.149 4.350 0.005 0.000 0.193 1149 E C 2.061 178.478 176.600 -0.304 0.000 0.994 1149 E CA 0.821 57.109 56.400 -0.186 0.000 0.800 1149 E CB 0.080 29.712 29.700 -0.114 0.000 0.752 1149 E HN 0.085 nan 8.360 nan 0.000 0.447 1150 R N 0.049 120.212 120.500 -0.562 0.000 2.154 1150 R HA -0.141 4.202 4.340 0.005 0.000 0.248 1150 R C 1.875 177.907 176.300 -0.446 0.000 1.155 1150 R CA 0.825 56.502 56.100 -0.705 0.000 0.979 1150 R CB -0.515 28.953 30.300 -1.388 0.000 0.869 1150 R HN 0.265 nan 8.270 nan 0.000 0.452 1151 L N -1.024 120.014 121.223 -0.308 0.000 2.616 1151 L HA 0.178 4.522 4.340 0.005 0.000 0.229 1151 L C 1.544 178.360 176.870 -0.090 0.000 1.110 1151 L CA 0.743 55.486 54.840 -0.161 0.000 0.884 1151 L CB 0.072 42.075 42.059 -0.093 0.000 1.115 1151 L HN 0.037 nan 8.230 nan 0.000 0.481 1152 M N -1.829 117.713 119.600 -0.097 0.000 2.979 1152 M HA 0.149 4.633 4.480 0.005 0.000 0.221 1152 M C 1.657 177.923 176.300 -0.057 0.000 1.769 1152 M CA 0.544 55.814 55.300 -0.050 0.000 1.260 1152 M CB -0.289 32.287 32.600 -0.041 0.000 1.227 1152 M HN -0.093 nan 8.290 nan 0.000 0.587 1153 E N 1.498 121.649 120.200 -0.080 0.000 2.274 1153 E HA 0.153 4.506 4.350 0.005 0.000 0.194 1153 E C 0.420 176.979 176.600 -0.069 0.000 0.996 1153 E CA 0.512 56.869 56.400 -0.071 0.000 0.840 1153 E CB 0.021 29.677 29.700 -0.074 0.000 0.772 1153 E HN 0.397 nan 8.360 nan 0.000 0.491 1154 A N -0.718 122.045 122.820 -0.094 0.000 2.337 1154 A HA 0.716 5.040 4.320 0.005 0.000 0.331 1154 A C 0.682 178.217 177.584 -0.082 0.000 1.137 1154 A CA 0.182 52.167 52.037 -0.087 0.000 0.807 1154 A CB 1.399 20.331 19.000 -0.113 0.000 1.250 1154 A HN 0.057 nan 8.150 nan 0.000 0.468 1155 S N 0.549 116.213 115.700 -0.061 0.000 4.159 1155 S HA -0.199 4.274 4.470 0.005 0.000 0.487 1155 S C 0.795 175.374 174.600 -0.036 0.000 1.865 1155 S CA 1.543 59.714 58.200 -0.048 0.000 4.250 1155 S CB -1.989 61.179 63.200 -0.052 0.000 0.202 1155 S HN 0.825 nan 8.310 nan 0.000 0.454 1156 D N 1.461 121.853 120.400 -0.014 0.000 2.525 1156 D HA 0.563 5.207 4.640 0.005 0.000 0.261 1156 D C 0.921 177.260 176.300 0.066 0.000 1.379 1156 D CA 1.456 55.472 54.000 0.027 0.000 1.074 1156 D CB -0.292 40.546 40.800 0.064 0.000 0.939 1156 D HN 1.809 nan 8.370 nan 0.000 0.272 1157 A N -0.097 122.786 122.820 0.104 0.000 2.423 1157 A HA -0.034 4.289 4.320 0.005 0.000 0.682 1157 A C -0.594 177.174 177.584 0.306 0.000 0.145 1157 A CA 0.494 52.616 52.037 0.143 0.000 0.058 1157 A CB -1.419 17.617 19.000 0.061 0.000 3.950 1157 A HN 0.357 nan 8.150 nan 0.000 0.545 1158 F N 2.186 122.209 119.950 0.122 0.000 2.708 1158 F HA 0.672 5.203 4.527 0.006 0.000 0.309 1158 F C -0.588 175.295 175.800 0.138 0.000 1.120 1158 F CA -0.295 57.792 58.000 0.147 0.000 0.978 1158 F CB 1.160 40.276 39.000 0.194 0.000 1.283 1158 F HN 0.965 nan 8.300 nan 0.000 0.439 1159 R N 5.233 125.374 120.500 -0.598 0.000 2.360 1159 R HA 0.729 5.072 4.340 0.005 0.000 0.318 1159 R C -1.934 173.781 176.300 -0.974 0.000 0.950 1159 R CA -0.302 55.447 56.100 -0.585 0.000 0.837 1159 R CB 1.113 31.226 30.300 -0.311 0.000 1.165 1159 R HN 0.534 nan 8.270 nan 0.000 0.458 1160 V N 2.519 122.016 119.914 -0.696 0.000 3.193 1160 V HA 0.548 4.671 4.120 0.005 0.000 0.320 1160 V C -0.037 175.728 176.094 -0.549 0.000 1.112 1160 V CA -0.966 61.025 62.300 -0.514 0.000 1.026 1160 V CB 1.886 33.602 31.823 -0.178 0.000 1.128 1160 V HN 0.694 nan 8.190 nan 0.000 0.452 1161 H N 0.819 119.830 119.070 -0.099 0.000 2.538 1161 H HA 0.678 5.238 4.556 0.005 0.000 0.353 1161 H C -1.028 174.258 175.328 -0.071 0.000 1.109 1161 H CA -0.336 55.657 56.048 -0.092 0.000 1.192 1161 H CB 2.120 31.839 29.762 -0.071 0.000 1.555 1161 H HN 0.474 nan 8.280 nan 0.000 0.518 1162 I N 1.602 122.189 120.570 0.028 0.000 2.646 1162 I HA 0.177 4.350 4.170 0.005 0.000 0.299 1162 I C 0.425 176.484 176.117 -0.096 0.000 1.036 1162 I CA -1.006 60.276 61.300 -0.030 0.000 1.074 1162 I CB 2.075 40.051 38.000 -0.040 0.000 1.258 1162 I HN 0.518 nan 8.210 nan 0.000 0.430 1163 C N 3.600 122.830 119.300 -0.117 0.000 2.325 1163 C HA 0.510 4.974 4.460 0.005 0.000 0.347 1163 C C 1.691 176.538 174.990 -0.238 0.000 1.263 1163 C CA -0.288 58.625 59.018 -0.174 0.000 1.806 1163 C CB -0.253 27.415 27.740 -0.121 0.000 2.405 1163 C HN 1.055 nan 8.230 nan 0.000 0.537 1164 G N 4.665 113.271 108.800 -0.324 0.000 2.586 1164 G HA2 -0.013 3.950 3.960 0.005 0.000 0.215 1164 G HA3 -0.013 3.950 3.960 0.005 0.000 0.215 1164 G C 1.024 175.716 174.900 -0.347 0.000 1.128 1164 G CA 0.801 45.690 45.100 -0.352 0.000 0.774 1164 G HN 0.797 nan 8.290 nan 0.000 0.543 1165 I N 0.770 121.183 120.570 -0.262 0.000 3.313 1165 I HA -0.002 4.171 4.170 0.005 0.000 0.233 1165 I C 3.160 179.176 176.117 -0.168 0.000 1.050 1165 I CA 0.913 62.101 61.300 -0.187 0.000 1.499 1165 I CB -1.404 36.533 38.000 -0.106 0.000 1.373 1165 I HN 0.320 nan 8.210 nan 0.000 0.458 1166 C N 1.315 120.553 119.300 -0.104 0.000 2.429 1166 C HA 0.156 4.619 4.460 0.005 0.000 0.277 1166 C C 1.934 176.910 174.990 -0.024 0.000 1.262 1166 C CA 0.468 59.464 59.018 -0.037 0.000 1.733 1166 C CB -1.171 26.553 27.740 -0.028 0.000 2.010 1166 C HN 0.855 nan 8.230 nan 0.000 0.483 1167 G N 0.459 109.195 108.800 -0.106 0.000 2.144 1167 G HA2 -0.133 3.830 3.960 0.005 0.000 0.218 1167 G HA3 -0.133 3.830 3.960 0.005 0.000 0.218 1167 G C -0.025 174.851 174.900 -0.041 0.000 0.988 1167 G CA 0.418 45.460 45.100 -0.097 0.000 0.659 1167 G HN 0.671 nan 8.290 nan 0.000 0.522 1168 L N -1.736 119.465 121.223 -0.038 0.000 2.798 1168 L HA 0.756 5.100 4.340 0.005 0.000 0.230 1168 L C 1.693 178.558 176.870 -0.008 0.000 1.868 1168 L CA -1.024 53.800 54.840 -0.026 0.000 2.126 1168 L CB 0.410 42.464 42.059 -0.008 0.000 2.569 1168 L HN 0.016 nan 8.230 nan 0.000 0.592 1169 M N -0.726 118.885 119.600 0.018 0.000 2.692 1169 M HA 0.135 4.618 4.480 0.005 0.000 0.372 1169 M C 0.906 177.234 176.300 0.047 0.000 1.192 1169 M CA -0.050 55.276 55.300 0.044 0.000 0.928 1169 M CB 0.606 33.249 32.600 0.071 0.000 1.366 1169 M HN 0.525 nan 8.290 nan 0.000 0.517 1170 T N 0.003 114.574 114.554 0.027 0.000 2.803 1170 T HA -0.057 4.297 4.350 0.005 0.000 0.269 1170 T C 0.995 175.714 174.700 0.032 0.000 1.052 1170 T CA 0.676 62.791 62.100 0.025 0.000 1.136 1170 T CB -0.339 68.535 68.868 0.010 0.000 0.864 1170 T HN 0.219 nan 8.240 nan 0.000 0.467 1171 V N 2.434 122.366 119.914 0.031 0.000 2.726 1171 V HA -0.077 4.046 4.120 0.005 0.000 0.304 1171 V C 0.433 176.563 176.094 0.061 0.000 1.115 1171 V CA 0.660 62.982 62.300 0.037 0.000 1.264 1171 V CB -0.420 31.424 31.823 0.034 0.000 0.867 1171 V HN 0.405 nan 8.190 nan 0.000 0.498 1172 I N 4.594 125.194 120.570 0.049 0.000 2.442 1172 I HA 0.370 4.543 4.170 0.005 0.000 0.279 1172 I C 0.819 176.961 176.117 0.042 0.000 1.081 1172 I CA -0.361 60.968 61.300 0.049 0.000 1.197 1172 I CB 0.974 38.991 38.000 0.028 0.000 1.394 1172 I HN 0.685 nan 8.210 nan 0.000 0.488 1173 A N 6.424 129.281 122.820 0.062 0.000 2.993 1173 A HA 0.084 4.407 4.320 0.005 0.000 0.281 1173 A C 0.563 178.120 177.584 -0.046 0.000 1.847 1173 A CA -0.149 51.907 52.037 0.032 0.000 1.470 1173 A CB -0.762 18.273 19.000 0.057 0.000 1.028 1173 A HN 0.637 nan 8.150 nan 0.000 0.604 1174 K N 2.131 122.460 120.400 -0.117 0.000 2.021 1174 K HA 0.153 4.476 4.320 0.005 0.000 0.238 1174 K C -0.333 176.150 176.600 -0.194 0.000 1.149 1174 K CA 0.162 56.381 56.287 -0.114 0.000 1.105 1174 K CB -0.167 32.270 32.500 -0.105 0.000 1.246 1174 K HN 0.650 nan 8.250 nan 0.000 0.307 1175 L N 2.211 123.361 121.223 -0.121 0.000 2.399 1175 L HA 0.051 4.394 4.340 0.005 0.000 0.266 1175 L C 1.216 178.017 176.870 -0.115 0.000 1.114 1175 L CA 0.518 55.271 54.840 -0.146 0.000 0.804 1175 L CB 0.699 42.745 42.059 -0.021 0.000 1.146 1175 L HN 0.847 nan 8.230 nan 0.000 0.451 1176 N N 0.172 118.785 118.700 -0.145 0.000 2.887 1176 N HA -0.314 4.429 4.740 0.005 0.000 0.219 1176 N C -0.236 175.100 175.510 -0.289 0.000 0.855 1176 N CA 1.747 54.688 53.050 -0.181 0.000 1.164 1176 N CB -1.103 37.283 38.487 -0.168 0.000 0.969 1176 N HN 0.686 nan 8.380 nan 0.000 0.610 1177 H N 1.224 120.215 119.070 -0.133 0.000 2.914 1177 H HA 0.248 4.808 4.556 0.005 0.000 0.264 1177 H C 0.650 175.838 175.328 -0.234 0.000 1.433 1177 H CA 0.012 55.973 56.048 -0.143 0.000 1.342 1177 H CB -0.054 29.640 29.762 -0.113 0.000 1.582 1177 H HN 0.409 nan 8.280 nan 0.000 0.525 1178 N N 1.968 120.580 118.700 -0.147 0.000 2.111 1178 N HA -0.234 4.509 4.740 0.005 0.000 0.197 1178 N C 0.152 175.308 175.510 -0.590 0.000 1.011 1178 N CA 1.164 54.018 53.050 -0.327 0.000 0.880 1178 N CB 0.042 38.438 38.487 -0.152 0.000 1.031 1178 N HN 0.600 nan 8.380 nan 0.000 0.444 1179 Q N -0.442 119.174 119.800 -0.306 0.000 2.549 1179 Q HA -0.136 4.208 4.340 0.005 0.000 0.347 1179 Q C -0.074 175.677 176.000 -0.415 0.000 1.081 1179 Q CA 0.516 56.172 55.803 -0.245 0.000 1.093 1179 Q CB 0.222 28.887 28.738 -0.121 0.000 1.067 1179 Q HN 0.349 nan 8.270 nan 0.000 0.398 1180 F N 0.744 120.646 119.950 -0.081 0.000 2.453 1180 F HA 0.068 4.599 4.527 0.005 0.000 0.239 1180 F C 0.217 175.958 175.800 -0.099 0.000 1.013 1180 F CA 0.273 58.196 58.000 -0.127 0.000 1.025 1180 F CB 0.055 38.944 39.000 -0.184 0.000 1.214 1180 F HN 0.668 nan 8.300 nan 0.000 0.681 1181 E N 0.913 121.198 120.200 0.143 0.000 6.993 1181 E HA -0.272 4.081 4.350 0.005 0.000 0.276 1181 E C -0.752 175.859 176.600 0.018 0.000 1.113 1181 E CA -0.096 56.329 56.400 0.042 0.000 1.400 1181 E CB -1.690 28.021 29.700 0.018 0.000 0.936 1181 E HN 0.419 nan 8.360 nan 0.000 0.285 1182 C N 4.563 123.860 119.300 -0.005 0.000 2.652 1182 C HA 0.508 4.971 4.460 0.005 0.000 0.412 1182 C C 0.482 175.467 174.990 -0.010 0.000 1.294 1182 C CA 0.477 59.489 59.018 -0.010 0.000 2.127 1182 C CB 0.244 27.966 27.740 -0.030 0.000 2.691 1182 C HN 0.838 nan 8.230 nan 0.000 0.615 1183 K N 4.618 125.015 120.400 -0.005 0.000 2.292 1183 K HA 0.725 5.048 4.320 0.005 0.000 0.257 1183 K C 0.428 177.025 176.600 -0.006 0.000 0.940 1183 K CA 0.211 56.495 56.287 -0.006 0.000 0.811 1183 K CB 1.352 33.850 32.500 -0.003 0.000 1.120 1183 K HN 1.454 nan 8.250 nan 0.000 0.428 1184 G N 1.823 110.618 108.800 -0.008 0.000 1.676 1184 G HA2 -0.278 3.685 3.960 0.005 0.000 0.199 1184 G HA3 -0.278 3.685 3.960 0.005 0.000 0.199 1184 G C 0.747 175.641 174.900 -0.011 0.000 1.990 1184 G CA -0.197 44.898 45.100 -0.007 0.000 1.393 1184 G HN 0.777 nan 8.290 nan 0.000 0.449 1185 C N 1.860 121.151 119.300 -0.015 0.000 2.503 1185 C HA 0.425 4.888 4.460 0.005 0.000 0.285 1185 C C 1.281 176.255 174.990 -0.026 0.000 1.473 1185 C CA 0.395 59.401 59.018 -0.020 0.000 1.708 1185 C CB -1.830 25.893 27.740 -0.028 0.000 1.638 1185 C HN 0.798 nan 8.230 nan 0.000 0.585 1186 D N 0.337 120.723 120.400 -0.022 0.000 2.811 1186 D HA -0.182 4.461 4.640 0.005 0.000 0.231 1186 D C -0.006 176.276 176.300 -0.030 0.000 1.157 1186 D CA 0.609 54.596 54.000 -0.022 0.000 0.716 1186 D CB -0.958 39.831 40.800 -0.018 0.000 1.077 1186 D HN 0.619 nan 8.370 nan 0.000 0.428 1187 N N -0.079 118.597 118.700 -0.040 0.000 2.503 1187 N HA 0.276 5.019 4.740 0.005 0.000 0.267 1187 N C 0.796 176.279 175.510 -0.045 0.000 1.214 1187 N CA 0.302 53.319 53.050 -0.056 0.000 0.959 1187 N CB 1.047 39.486 38.487 -0.081 0.000 1.142 1187 N HN 0.116 nan 8.380 nan 0.000 0.455 1188 K N 1.397 121.767 120.400 -0.050 0.000 2.620 1188 K HA 0.341 4.664 4.320 0.005 0.000 0.208 1188 K C 0.459 177.043 176.600 -0.027 0.000 1.582 1188 K CA 0.276 56.548 56.287 -0.026 0.000 1.083 1188 K CB 0.489 32.978 32.500 -0.017 0.000 1.420 1188 K HN 0.455 nan 8.250 nan 0.000 0.582 1189 I N -0.524 120.006 120.570 -0.067 0.000 4.624 1189 I HA 0.136 4.309 4.170 0.005 0.000 0.327 1189 I C 0.046 176.056 176.117 -0.178 0.000 1.295 1189 I CA -0.125 61.126 61.300 -0.081 0.000 1.267 1189 I CB 0.619 38.589 38.000 -0.050 0.000 1.249 1189 I HN -0.119 nan 8.210 nan 0.000 0.440 1190 D N 3.219 123.489 120.400 -0.218 0.000 2.558 1190 D HA 0.354 4.998 4.640 0.005 0.000 0.221 1190 D C -0.481 175.526 176.300 -0.488 0.000 1.143 1190 D CA 0.291 54.071 54.000 -0.367 0.000 1.010 1190 D CB -0.048 40.586 40.800 -0.277 0.000 1.068 1190 D HN 0.181 nan 8.370 nan 0.000 0.511 1191 I N 2.969 123.183 120.570 -0.594 0.000 2.534 1191 I HA 0.259 4.432 4.170 0.005 0.000 0.288 1191 I C -0.912 174.895 176.117 -0.516 0.000 1.077 1191 I CA -0.840 60.149 61.300 -0.518 0.000 1.051 1191 I CB 1.743 39.511 38.000 -0.386 0.000 1.234 1191 I HN 0.077 nan 8.210 nan 0.000 0.425 1192 Y N 4.308 124.512 120.300 -0.160 0.000 2.446 1192 Y HA 0.440 4.993 4.550 0.005 0.000 0.345 1192 Y C -0.117 175.712 175.900 -0.119 0.000 0.984 1192 Y CA -1.058 56.957 58.100 -0.143 0.000 1.058 1192 Y CB 2.139 40.523 38.460 -0.127 0.000 1.220 1192 Y HN 0.477 nan 8.280 nan 0.000 0.455 1193 Q N 3.848 123.665 119.800 0.028 0.000 2.245 1193 Q HA 0.629 4.972 4.340 0.005 0.000 0.256 1193 Q C -1.005 174.855 176.000 -0.233 0.000 0.942 1193 Q CA -0.904 54.789 55.803 -0.184 0.000 0.896 1193 Q CB 2.058 30.623 28.738 -0.288 0.000 1.272 1193 Q HN 0.625 nan 8.270 nan 0.000 0.442 1194 I N -1.201 119.195 120.570 -0.291 0.000 3.067 1194 I HA 0.516 4.689 4.170 0.005 0.000 0.312 1194 I C -1.009 174.876 176.117 -0.386 0.000 1.073 1194 I CA -1.093 60.047 61.300 -0.267 0.000 1.016 1194 I CB 1.774 39.717 38.000 -0.096 0.000 1.227 1194 I HN 0.755 nan 8.210 nan 0.000 0.456 1195 H N 4.290 123.329 119.070 -0.052 0.000 2.504 1195 H HA 0.713 5.272 4.556 0.005 0.000 0.322 1195 H C -0.308 175.029 175.328 0.016 0.000 1.055 1195 H CA -0.287 55.742 56.048 -0.031 0.000 1.231 1195 H CB 1.807 31.558 29.762 -0.018 0.000 1.417 1195 H HN 0.702 nan 8.280 nan 0.000 0.472 1196 I N -0.182 120.485 120.570 0.163 0.000 3.095 1196 I HA 0.515 4.688 4.170 0.005 0.000 0.310 1196 I C -3.012 173.214 176.117 0.182 0.000 1.196 1196 I CA -3.085 58.307 61.300 0.152 0.000 0.985 1196 I CB 2.739 40.828 38.000 0.149 0.000 1.250 1196 I HN 0.101 nan 8.210 nan 0.000 0.446 1197 P HA 0.008 nan 4.420 nan 0.000 0.262 1197 P C 0.026 177.421 177.300 0.158 0.000 1.199 1197 P CA 0.318 63.491 63.100 0.121 0.000 0.763 1197 P CB 0.060 31.788 31.700 0.047 0.000 0.790 1198 Y N 4.751 125.089 120.300 0.063 0.000 2.348 1198 Y HA -0.329 4.224 4.550 0.006 0.000 0.285 1198 Y C 2.041 177.883 175.900 -0.096 0.000 1.173 1198 Y CA 1.733 59.797 58.100 -0.059 0.000 1.263 1198 Y CB -0.169 38.124 38.460 -0.277 0.000 0.974 1198 Y HN 0.431 nan 8.280 nan 0.000 0.547 1199 A N 0.195 123.101 122.820 0.144 0.000 2.015 1199 A HA -0.074 4.249 4.320 0.005 0.000 0.219 1199 A C 2.352 179.852 177.584 -0.140 0.000 1.163 1199 A CA 1.407 53.461 52.037 0.029 0.000 0.646 1199 A CB -1.215 17.795 19.000 0.018 0.000 0.806 1199 A HN 0.614 nan 8.150 nan 0.000 0.448 1200 A N 0.497 123.205 122.820 -0.187 0.000 1.841 1200 A HA -0.160 4.163 4.320 0.005 0.000 0.214 1200 A C 2.129 179.388 177.584 -0.542 0.000 1.195 1200 A CA 1.940 53.697 52.037 -0.466 0.000 0.611 1200 A CB -0.619 18.174 19.000 -0.344 0.000 0.835 1200 A HN 0.529 nan 8.150 nan 0.000 0.443 1201 K N -0.481 119.792 120.400 -0.211 0.000 2.163 1201 K HA -0.213 4.110 4.320 0.005 0.000 0.210 1201 K C 1.833 178.331 176.600 -0.169 0.000 1.048 1201 K CA 1.897 58.131 56.287 -0.088 0.000 0.928 1201 K CB -0.331 32.090 32.500 -0.132 0.000 0.716 1201 K HN 0.402 nan 8.250 nan 0.000 0.459 1202 L N 1.284 122.347 121.223 -0.267 0.000 2.109 1202 L HA -0.110 4.234 4.340 0.005 0.000 0.207 1202 L C 2.347 179.150 176.870 -0.113 0.000 1.086 1202 L CA 1.076 55.815 54.840 -0.169 0.000 0.760 1202 L CB -0.684 41.314 42.059 -0.101 0.000 0.910 1202 L HN 0.340 nan 8.230 nan 0.000 0.437 1203 L N -0.440 120.662 121.223 -0.202 0.000 2.056 1203 L HA -0.143 4.201 4.340 0.005 0.000 0.207 1203 L C 2.315 179.169 176.870 -0.027 0.000 1.078 1203 L CA 1.756 56.495 54.840 -0.169 0.000 0.749 1203 L CB -0.849 41.033 42.059 -0.295 0.000 0.901 1203 L HN 0.118 nan 8.230 nan 0.000 0.433 1204 F N -0.408 119.540 119.950 -0.002 0.000 2.051 1204 F HA -0.262 4.268 4.527 0.006 0.000 0.296 1204 F C 2.677 178.476 175.800 -0.000 0.000 1.122 1204 F CA 1.209 59.211 58.000 0.004 0.000 1.201 1204 F CB -0.525 38.481 39.000 0.009 0.000 0.978 1204 F HN 0.125 nan 8.300 nan 0.000 0.472 1205 Q N 0.413 120.320 119.800 0.179 0.000 2.096 1205 Q HA -0.293 4.051 4.340 0.005 0.000 0.208 1205 Q C 2.041 178.083 176.000 0.070 0.000 0.993 1205 Q CA 2.086 57.944 55.803 0.092 0.000 0.862 1205 Q CB -0.311 28.448 28.738 0.034 0.000 0.915 1205 Q HN 0.484 nan 8.270 nan 0.000 0.416 1206 E N 0.201 120.432 120.200 0.053 0.000 2.097 1206 E HA -0.191 4.163 4.350 0.005 0.000 0.196 1206 E C 1.941 178.577 176.600 0.060 0.000 1.000 1206 E CA 0.876 57.303 56.400 0.044 0.000 0.804 1206 E CB -0.063 29.653 29.700 0.027 0.000 0.740 1206 E HN 0.312 nan 8.360 nan 0.000 0.454 1207 L N -0.011 121.268 121.223 0.094 0.000 2.191 1207 L HA -0.201 4.143 4.340 0.005 0.000 0.212 1207 L C 2.272 179.186 176.870 0.073 0.000 1.103 1207 L CA 0.851 55.749 54.840 0.097 0.000 0.769 1207 L CB -0.205 41.946 42.059 0.153 0.000 0.908 1207 L HN 0.326 nan 8.230 nan 0.000 0.438 1208 M N -0.953 118.691 119.600 0.073 0.000 2.115 1208 M HA -0.104 4.379 4.480 0.005 0.000 0.261 1208 M C 2.473 178.796 176.300 0.039 0.000 1.079 1208 M CA 1.802 57.133 55.300 0.051 0.000 1.143 1208 M CB -0.432 32.199 32.600 0.051 0.000 1.332 1208 M HN 0.207 nan 8.290 nan 0.000 0.421 1209 A N -0.153 122.690 122.820 0.039 0.000 2.084 1209 A HA -0.217 4.106 4.320 0.005 0.000 0.221 1209 A C 2.088 179.689 177.584 0.028 0.000 1.161 1209 A CA 1.650 53.706 52.037 0.031 0.000 0.653 1209 A CB -0.695 18.323 19.000 0.029 0.000 0.802 1209 A HN 0.504 nan 8.150 nan 0.000 0.457 1210 M N -0.686 118.934 119.600 0.033 0.000 2.296 1210 M HA -0.014 4.470 4.480 0.005 0.000 0.265 1210 M C 0.552 176.868 176.300 0.027 0.000 1.064 1210 M CA 0.949 56.267 55.300 0.030 0.000 1.109 1210 M CB -0.592 32.030 32.600 0.037 0.000 1.396 1210 M HN 0.570 nan 8.290 nan 0.000 0.430 1211 N N 0.978 119.695 118.700 0.028 0.000 2.792 1211 N HA -0.146 4.597 4.740 0.005 0.000 0.258 1211 N C -1.603 173.921 175.510 0.023 0.000 1.118 1211 N CA 0.569 53.633 53.050 0.023 0.000 0.672 1211 N CB -1.174 37.324 38.487 0.019 0.000 0.913 1211 N HN 0.433 nan 8.380 nan 0.000 0.562 1212 I N 1.088 121.674 120.570 0.027 0.000 2.680 1212 I HA 0.135 4.308 4.170 0.005 0.000 0.291 1212 I C 0.192 176.321 176.117 0.020 0.000 1.244 1212 I CA -0.685 60.629 61.300 0.023 0.000 1.042 1212 I CB 2.105 40.123 38.000 0.030 0.000 1.277 1212 I HN 0.161 nan 8.210 nan 0.000 0.423 1213 T N 2.860 117.418 114.554 0.007 0.000 2.737 1213 T HA 0.404 4.757 4.350 0.005 0.000 0.296 1213 T C -2.399 172.280 174.700 -0.033 0.000 0.922 1213 T CA -1.441 60.655 62.100 -0.007 0.000 1.079 1213 T CB 0.321 69.187 68.868 -0.002 0.000 0.892 1213 T HN 0.280 nan 8.240 nan 0.000 0.514 1214 P HA 0.435 nan 4.420 nan 0.000 0.285 1214 P C -0.576 176.568 177.300 -0.259 0.000 1.448 1214 P CA -0.725 62.256 63.100 -0.198 0.000 0.953 1214 P CB 0.639 32.167 31.700 -0.287 0.000 1.175 1215 R N 2.578 122.990 120.500 -0.146 0.000 2.312 1215 R HA 0.555 4.899 4.340 0.005 0.000 0.311 1215 R C -0.127 176.184 176.300 0.019 0.000 1.004 1215 R CA -0.738 55.355 56.100 -0.011 0.000 0.902 1215 R CB 1.091 31.488 30.300 0.161 0.000 1.073 1215 R HN 0.424 nan 8.270 nan 0.000 0.457 1216 L N 3.967 125.226 121.223 0.060 0.000 2.296 1216 L HA 0.460 4.803 4.340 0.005 0.000 0.286 1216 L C -0.955 176.075 176.870 0.267 0.000 1.023 1216 L CA -0.732 54.162 54.840 0.090 0.000 0.812 1216 L CB 0.559 42.598 42.059 -0.034 0.000 1.223 1216 L HN 0.424 nan 8.230 nan 0.000 0.421 1217 Y N 0.090 120.374 120.300 -0.027 0.000 2.446 1217 Y HA 0.314 4.868 4.550 0.005 0.000 0.345 1217 Y C 1.072 176.979 175.900 0.011 0.000 0.984 1217 Y CA -1.295 56.808 58.100 0.006 0.000 1.058 1217 Y CB 2.301 40.762 38.460 0.001 0.000 1.220 1217 Y HN 0.613 nan 8.280 nan 0.000 0.455 1218 T N -2.748 111.876 114.554 0.116 0.000 3.105 1218 T HA 0.193 4.547 4.350 0.005 0.000 0.253 1218 T C -0.521 174.177 174.700 -0.002 0.000 1.047 1218 T CA -0.156 61.957 62.100 0.021 0.000 0.944 1218 T CB -0.472 68.344 68.868 -0.086 0.000 1.016 1218 T HN 0.546 nan 8.240 nan 0.000 0.544 1219 D N -0.443 119.995 120.400 0.064 0.000 2.732 1219 D HA 0.399 5.042 4.640 0.005 0.000 0.229 1219 D C 0.832 177.169 176.300 0.062 0.000 1.152 1219 D CA -1.039 52.987 54.000 0.043 0.000 0.854 1219 D CB 1.564 42.385 40.800 0.034 0.000 1.590 1219 D HN -0.317 nan 8.370 nan 0.000 0.468 1220 R N 0.837 121.358 120.500 0.036 0.000 2.082 1220 R HA -0.019 4.324 4.340 0.005 0.000 0.234 1220 R C 0.570 176.892 176.300 0.036 0.000 1.136 1220 R CA 0.738 56.857 56.100 0.031 0.000 0.935 1220 R CB -0.864 29.448 30.300 0.021 0.000 0.842 1220 R HN 0.558 nan 8.270 nan 0.000 0.430 1221 S N 0.469 116.193 115.700 0.041 0.000 2.542 1221 S HA -0.084 4.389 4.470 0.005 0.000 0.287 1221 S C 1.113 175.741 174.600 0.047 0.000 1.315 1221 S CA 0.344 58.571 58.200 0.045 0.000 1.037 1221 S CB 0.407 63.636 63.200 0.049 0.000 0.822 1221 S HN 0.272 nan 8.310 nan 0.000 0.513 1222 R N 1.407 121.935 120.500 0.047 0.000 2.393 1222 R HA 0.222 4.565 4.340 0.005 0.000 0.244 1222 R C 0.431 176.783 176.300 0.087 0.000 0.920 1222 R CA -0.075 56.054 56.100 0.048 0.000 1.076 1222 R CB 0.046 30.362 30.300 0.028 0.000 1.119 1222 R HN 0.711 nan 8.270 nan 0.000 0.524 1223 D N -0.888 119.568 120.400 0.094 0.000 2.724 1223 D HA -0.235 4.409 4.640 0.005 0.000 0.239 1223 D C 0.227 176.592 176.300 0.108 0.000 0.968 1223 D CA 0.961 55.014 54.000 0.088 0.000 1.859 1223 D CB -1.068 39.782 40.800 0.084 0.000 1.327 1223 D HN 0.056 nan 8.370 nan 0.000 0.636 1224 F N 0.000 119.956 119.950 0.009 0.000 2.286 1224 F HA 0.000 4.530 4.527 0.005 0.000 0.279 1224 F CA 0.000 58.004 58.000 0.007 0.000 1.383 1224 F CB 0.000 39.002 39.000 0.003 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574