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 1kqm_1_A DATA FIRST_RESID 5 DATA SEQUENCE FSDPDFQYLA XXXXXXMKEQ TAAFDGKKNC WVPDEKEGFA SAEIQSSKGD DATA SEQUENCE EITVKIVADS STRTVKKDDI QSMNPPKFEK LEDMANMTYL NEASVLYNLR DATA SEQUENCE SRYTSGLIYT YSGLFCIAVN PYRRLPIYTD SVIAKYRGKR KTEIPPHLFS DATA SEQUENCE VADNAYQNMV TDRENQSCLI TGESGAGKTE NTKKVIMYLA KVACAVXXXX DATA SEQUENCE XXXXXXXXGS LEDQIIQANP VLEAYGNAKT TRNNNSSRFG KFIRIHFGPT DATA SEQUENCE GKIAGADIET YLLEKSRVTY QQSAERNYHI FYQICSNAIP ELNDVMLVTP DATA SEQUENCE DSGLYSFINQ GCLTVDNIDD VEEFKLCDEA FDILGFTKEE KQSMFKCTAS DATA SEQUENCE ILHMGEMKFK XXXXXEQAES DGTAEAEKVA FLCGINAGDL LKALLKPKVK DATA SEQUENCE VXXXMVTKGQ NMNQVVNSVG ALAKSLYDRM FNWLVRRVNK TLDTKAKRNY DATA SEQUENCE YIGVLDIAGF EIFDFNSFEQ LCINYTNERL QQFFNHHMFI LEQEEYKKEG DATA SEQUENCE IAWEXXDFGM DLQMCIDLIE KPMGILSILE EECXXXKADD KSFQDKLYQN DATA SEQUENCE HMGKNRMFTK PGKPTRPNQG PAHFELHHYA GNVPYSITGW LEKNKDPINE DATA SEQUENCE NVVALLGASK EPLVAELFKA PEEPAXXXXX XXXXXXXFQT ISAVHRESLN DATA SEQUENCE KLMKNLYSTH PHFVRCIIPN ELKQPGLVDA ELVLHQLQCN GVLEXXXXXX DATA SEQUENCE KGFPSRLIYS EFKQRYSILA PNAIXXXXXD GKTVSEKILA GLQMDPAEYR DATA SEQUENCE LGTTKVFFKA GVLGNLEEMR DERLSKIISM FQAHIRGYLI RKAYKKLQDQ DATA SEQUENCE RIGLSVIQRN IRKWLVLRNW QWWKLYSKVK P 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 5 F HA 0.000 nan 4.527 nan 0.000 0.279 5 F C 0.000 175.901 175.800 0.168 0.000 0.967 5 F CA 0.000 58.065 58.000 0.107 0.000 1.383 5 F CB 0.000 39.058 39.000 0.097 0.000 1.145 6 S N 1.692 117.524 115.700 0.221 0.000 2.618 6 S HA 0.508 4.997 4.470 0.031 0.000 0.277 6 S C -0.532 174.218 174.600 0.250 0.000 1.138 6 S CA 0.188 58.540 58.200 0.253 0.000 0.844 6 S CB 1.509 64.768 63.200 0.100 0.000 1.127 6 S HN 0.826 nan 8.310 nan 0.000 0.474 7 D N 1.113 121.735 120.400 0.371 0.000 2.689 7 D HA -0.105 4.553 4.640 0.031 0.000 0.237 7 D C -1.613 174.766 176.300 0.131 0.000 1.148 7 D CA 1.128 55.300 54.000 0.286 0.000 0.656 7 D CB -1.174 39.732 40.800 0.176 0.000 1.050 7 D HN 0.490 nan 8.370 nan 0.000 0.426 8 P HA 0.164 nan 4.420 nan 0.000 0.210 8 P C 0.368 177.592 177.300 -0.127 0.000 1.112 8 P CA 0.562 63.620 63.100 -0.069 0.000 0.927 8 P CB 0.323 31.966 31.700 -0.095 0.000 0.796 9 D N -0.989 119.201 120.400 -0.350 0.000 2.440 9 D HA 0.161 4.819 4.640 0.031 0.000 0.216 9 D C -0.485 175.701 176.300 -0.190 0.000 1.150 9 D CA -0.041 53.801 54.000 -0.263 0.000 0.832 9 D CB -0.444 40.186 40.800 -0.284 0.000 0.992 9 D HN 0.054 nan 8.370 nan 0.000 0.502 10 F N 1.388 121.413 119.950 0.124 0.000 2.541 10 F HA 0.323 4.869 4.527 0.031 0.000 0.351 10 F C 1.594 177.476 175.800 0.136 0.000 1.209 10 F CA -0.464 57.617 58.000 0.134 0.000 1.277 10 F CB 0.718 39.787 39.000 0.114 0.000 1.632 10 F HN -0.164 nan 8.300 nan 0.000 0.619 11 Q N 0.157 120.184 119.800 0.380 0.000 2.378 11 Q HA 0.146 4.505 4.340 0.031 0.000 0.229 11 Q C -0.121 176.087 176.000 0.346 0.000 0.882 11 Q CA 0.829 56.866 55.803 0.390 0.000 0.936 11 Q CB 0.457 29.542 28.738 0.578 0.000 1.092 11 Q HN 0.518 nan 8.270 nan 0.000 0.535 12 Y N -2.623 117.720 120.300 0.073 0.000 2.830 12 Y HA 0.345 4.914 4.550 0.031 0.000 0.248 12 Y C 0.698 176.618 175.900 0.033 0.000 1.119 12 Y CA -0.029 58.081 58.100 0.016 0.000 1.164 12 Y CB -0.003 38.434 38.460 -0.038 0.000 1.237 12 Y HN 0.087 nan 8.280 nan 0.000 0.598 13 L N -1.668 119.710 121.223 0.258 0.000 2.547 13 L HA 0.893 5.252 4.340 0.031 0.000 0.218 13 L C 1.032 177.970 176.870 0.114 0.000 1.048 13 L CA 1.142 56.117 54.840 0.224 0.000 0.859 13 L CB -0.194 42.128 42.059 0.439 0.000 1.128 13 L HN 0.168 nan 8.230 nan 0.000 0.483 22 K N 0.085 120.497 120.400 0.020 0.000 2.531 22 K HA 1.000 5.338 4.320 0.031 0.000 0.265 22 K C 0.735 177.350 176.600 0.026 0.000 1.045 22 K CA 1.173 57.472 56.287 0.021 0.000 1.040 22 K CB -0.892 31.622 32.500 0.022 0.000 1.436 22 K HN 2.666 nan 8.250 nan 0.000 0.571 23 E N -1.326 118.890 120.200 0.028 0.000 2.492 23 E HA 0.356 4.724 4.350 0.031 0.000 0.266 23 E C 1.080 177.702 176.600 0.038 0.000 1.047 23 E CA 1.286 57.705 56.400 0.031 0.000 0.968 23 E CB -0.685 29.034 29.700 0.032 0.000 0.960 23 E HN 1.128 nan 8.360 nan 0.000 0.452 24 Q N -0.847 118.975 119.800 0.038 0.000 2.620 24 Q HA 0.543 4.902 4.340 0.031 0.000 0.232 24 Q C 1.532 177.561 176.000 0.047 0.000 0.836 24 Q CA 1.692 57.520 55.803 0.042 0.000 0.938 24 Q CB -0.048 28.709 28.738 0.032 0.000 1.242 24 Q HN 1.836 nan 8.270 nan 0.000 0.624 25 T N -0.714 113.864 114.554 0.040 0.000 2.952 25 T HA 0.826 5.194 4.350 0.031 0.000 0.305 25 T C -0.888 173.834 174.700 0.037 0.000 1.064 25 T CA -0.309 61.817 62.100 0.043 0.000 1.008 25 T CB 1.448 70.340 68.868 0.041 0.000 1.078 25 T HN 1.413 nan 8.240 nan 0.000 0.459 26 A N 1.479 124.325 122.820 0.044 0.000 2.488 26 A HA 0.893 5.232 4.320 0.031 0.000 0.295 26 A C 0.013 177.635 177.584 0.062 0.000 1.045 26 A CA -0.123 51.938 52.037 0.040 0.000 0.703 26 A CB 0.779 19.799 19.000 0.032 0.000 1.271 26 A HN 2.099 nan 8.150 nan 0.000 0.400 27 A N 1.822 124.677 122.820 0.059 0.000 2.484 27 A HA 0.502 4.840 4.320 0.031 0.000 0.268 27 A C -0.432 177.240 177.584 0.148 0.000 1.114 27 A CA 0.270 52.353 52.037 0.077 0.000 0.780 27 A CB -0.515 18.507 19.000 0.037 0.000 1.061 27 A HN 1.568 nan 8.150 nan 0.000 0.505 28 F N 3.015 122.949 119.950 -0.026 0.000 2.480 28 F HA 0.548 5.093 4.527 0.029 0.000 0.329 28 F C -0.247 175.534 175.800 -0.031 0.000 1.091 28 F CA -1.631 56.346 58.000 -0.037 0.000 0.972 28 F CB 1.434 40.416 39.000 -0.032 0.000 1.150 28 F HN 0.664 nan 8.300 nan 0.000 0.467 29 D N 2.207 122.341 120.400 -0.445 0.000 2.494 29 D HA 0.426 5.085 4.640 0.031 0.000 0.259 29 D C 0.386 175.936 176.300 -1.249 0.000 1.109 29 D CA -0.062 53.585 54.000 -0.588 0.000 1.040 29 D CB 2.334 42.999 40.800 -0.225 0.000 1.175 29 D HN 0.707 nan 8.370 nan 0.000 0.584 30 G N 0.314 108.729 108.800 -0.640 0.000 2.682 30 G HA2 -0.057 3.921 3.960 0.031 0.000 0.221 30 G HA3 -0.057 3.921 3.960 0.031 0.000 0.221 30 G C 0.627 175.410 174.900 -0.195 0.000 1.386 30 G CA 0.271 45.090 45.100 -0.468 0.000 0.909 30 G HN 0.426 nan 8.290 nan 0.000 0.558 31 K N 0.032 120.364 120.400 -0.113 0.000 2.397 31 K HA 0.360 4.698 4.320 0.031 0.000 0.202 31 K C 1.404 177.978 176.600 -0.044 0.000 1.022 31 K CA 0.059 56.317 56.287 -0.048 0.000 1.141 31 K CB 1.113 33.593 32.500 -0.033 0.000 0.857 31 K HN 0.196 nan 8.250 nan 0.000 0.514 32 K N 0.257 120.621 120.400 -0.060 0.000 2.284 32 K HA 0.166 4.504 4.320 0.031 0.000 0.198 32 K C -0.009 176.582 176.600 -0.014 0.000 1.048 32 K CA 0.386 56.649 56.287 -0.040 0.000 0.987 32 K CB 0.407 32.875 32.500 -0.053 0.000 0.800 32 K HN 0.021 nan 8.250 nan 0.000 0.486 33 N N -0.169 118.550 118.700 0.031 0.000 2.417 33 N HA 0.384 5.142 4.740 0.031 0.000 0.300 33 N C -0.959 174.542 175.510 -0.016 0.000 1.102 33 N CA -0.180 52.901 53.050 0.052 0.000 0.886 33 N CB 1.719 40.360 38.487 0.257 0.000 1.203 33 N HN 0.320 nan 8.380 nan 0.000 0.496 34 C N -0.637 118.566 119.300 -0.161 0.000 3.167 34 C HA 0.484 4.963 4.460 0.031 0.000 0.348 34 C C -1.776 173.030 174.990 -0.307 0.000 1.394 34 C CA -1.362 57.520 59.018 -0.227 0.000 1.204 34 C CB -0.132 27.546 27.740 -0.104 0.000 1.467 34 C HN 0.747 nan 8.230 nan 0.000 0.446 35 W N 1.022 122.233 121.300 -0.148 0.000 2.376 35 W HA 0.663 5.342 4.660 0.031 0.000 0.322 35 W C -0.195 176.278 176.519 -0.075 0.000 1.160 35 W CA -0.338 56.926 57.345 -0.135 0.000 1.218 35 W CB 1.682 30.982 29.460 -0.267 0.000 1.205 35 W HN 0.655 nan 8.180 nan 0.000 0.559 36 V N 4.330 124.454 119.914 0.351 0.000 2.789 36 V HA 0.410 4.548 4.120 0.031 0.000 0.311 36 V C -2.109 174.242 176.094 0.428 0.000 1.073 36 V CA -2.510 59.956 62.300 0.278 0.000 0.921 36 V CB 2.193 34.115 31.823 0.166 0.000 1.009 36 V HN 0.313 nan 8.190 nan 0.000 0.426 37 P HA 0.184 nan 4.420 nan 0.000 0.276 37 P C -1.041 176.339 177.300 0.133 0.000 1.264 37 P CA 0.274 63.564 63.100 0.317 0.000 0.769 37 P CB 1.185 33.021 31.700 0.227 0.000 0.840 38 D N 3.069 123.515 120.400 0.076 0.000 2.437 38 D HA 0.357 5.015 4.640 0.031 0.000 0.259 38 D C 1.202 177.475 176.300 -0.045 0.000 1.118 38 D CA -0.213 53.810 54.000 0.038 0.000 1.017 38 D CB 1.094 41.936 40.800 0.070 0.000 1.120 38 D HN 0.302 nan 8.370 nan 0.000 0.541 39 E N -0.475 119.705 120.200 -0.032 0.000 2.465 39 E HA 0.203 4.572 4.350 0.031 0.000 0.209 39 E C 1.479 178.047 176.600 -0.054 0.000 0.951 39 E CA 0.915 57.283 56.400 -0.054 0.000 0.997 39 E CB -0.530 29.151 29.700 -0.032 0.000 1.025 39 E HN 0.479 nan 8.360 nan 0.000 0.500 40 K N 0.539 120.920 120.400 -0.032 0.000 2.287 40 K HA 0.174 4.512 4.320 0.031 0.000 0.199 40 K C 1.734 178.319 176.600 -0.024 0.000 1.061 40 K CA 0.912 57.186 56.287 -0.022 0.000 0.976 40 K CB 0.170 32.669 32.500 -0.002 0.000 0.898 40 K HN 0.183 nan 8.250 nan 0.000 0.492 41 E N -0.592 119.602 120.200 -0.011 0.000 2.476 41 E HA 0.210 4.579 4.350 0.031 0.000 0.196 41 E C 1.217 177.787 176.600 -0.051 0.000 1.029 41 E CA 0.340 56.741 56.400 0.002 0.000 0.896 41 E CB 0.760 30.501 29.700 0.068 0.000 1.012 41 E HN 0.611 nan 8.360 nan 0.000 0.475 42 G N 1.613 110.329 108.800 -0.141 0.000 4.655 42 G HA2 -0.308 3.671 3.960 0.031 0.000 0.220 42 G HA3 -0.308 3.671 3.960 0.031 0.000 0.220 42 G C -0.009 174.572 174.900 -0.532 0.000 1.403 42 G CA 0.242 45.124 45.100 -0.362 0.000 0.931 42 G HN 0.209 nan 8.290 nan 0.000 0.654 43 F N 2.049 121.990 119.950 -0.016 0.000 2.539 43 F HA 0.809 5.338 4.527 0.004 0.000 0.328 43 F C 0.469 176.417 175.800 0.246 0.000 1.148 43 F CA -0.594 57.434 58.000 0.046 0.000 0.940 43 F CB 2.040 40.936 39.000 -0.174 0.000 1.194 43 F HN 0.650 nan 8.300 nan 0.000 0.438 44 A N 1.783 124.892 122.820 0.482 0.000 2.320 44 A HA 0.697 5.036 4.320 0.031 0.000 0.334 44 A C -0.025 177.788 177.584 0.383 0.000 1.147 44 A CA -0.646 51.644 52.037 0.421 0.000 0.820 44 A CB 1.242 20.371 19.000 0.216 0.000 1.218 44 A HN 0.640 nan 8.150 nan 0.000 0.482 45 S N 0.105 115.880 115.700 0.126 0.000 2.580 45 S HA 0.642 5.131 4.470 0.031 0.000 0.274 45 S C -0.020 174.502 174.600 -0.131 0.000 1.329 45 S CA 0.342 58.377 58.200 -0.276 0.000 1.036 45 S CB 0.531 63.455 63.200 -0.460 0.000 0.919 45 S HN 2.105 nan 8.310 nan 0.000 0.515 46 A N 3.370 126.083 122.820 -0.179 0.000 2.612 46 A HA 0.664 5.003 4.320 0.031 0.000 0.293 46 A C -1.468 176.061 177.584 -0.093 0.000 1.075 46 A CA -0.833 51.151 52.037 -0.088 0.000 0.680 46 A CB 1.265 20.248 19.000 -0.027 0.000 1.279 46 A HN 0.795 nan 8.150 nan 0.000 0.411 47 E N 1.455 121.624 120.200 -0.052 0.000 2.155 47 E HA 0.459 4.827 4.350 0.031 0.000 0.264 47 E C -0.769 175.817 176.600 -0.023 0.000 0.886 47 E CA -0.506 55.873 56.400 -0.035 0.000 0.752 47 E CB 1.702 31.387 29.700 -0.025 0.000 1.133 47 E HN 0.579 nan 8.360 nan 0.000 0.414 48 I N 2.090 122.648 120.570 -0.021 0.000 2.836 48 I HA -0.112 4.077 4.170 0.031 0.000 0.285 48 I C 1.360 177.470 176.117 -0.013 0.000 1.174 48 I CA 0.162 61.453 61.300 -0.015 0.000 1.405 48 I CB 0.338 38.328 38.000 -0.016 0.000 1.385 48 I HN 0.488 nan 8.210 nan 0.000 0.594 49 Q N 2.526 122.322 119.800 -0.008 0.000 2.534 49 Q HA 0.216 4.575 4.340 0.031 0.000 0.252 49 Q C 0.057 176.054 176.000 -0.006 0.000 0.850 49 Q CA 0.513 56.312 55.803 -0.007 0.000 0.974 49 Q CB 1.027 29.763 28.738 -0.004 0.000 1.205 49 Q HN 0.902 nan 8.270 nan 0.000 0.593 50 S N -0.844 114.854 115.700 -0.004 0.000 2.615 50 S HA 0.646 5.134 4.470 0.031 0.000 0.268 50 S C -0.936 173.663 174.600 -0.001 0.000 1.146 50 S CA -0.773 57.425 58.200 -0.003 0.000 0.818 50 S CB 1.610 64.809 63.200 -0.002 0.000 1.111 50 S HN -0.002 nan 8.310 nan 0.000 0.465 51 S N 0.409 116.108 115.700 -0.001 0.000 2.638 51 S HA 0.799 5.288 4.470 0.031 0.000 0.302 51 S C -0.390 174.212 174.600 0.004 0.000 1.096 51 S CA -0.976 57.225 58.200 0.001 0.000 0.953 51 S CB 1.732 64.931 63.200 -0.001 0.000 1.107 51 S HN 0.916 nan 8.310 nan 0.000 0.503 52 K N -0.048 120.355 120.400 0.006 0.000 3.066 52 K HA 0.356 4.695 4.320 0.031 0.000 0.168 52 K C 0.475 177.081 176.600 0.010 0.000 1.076 52 K CA 0.481 56.772 56.287 0.008 0.000 1.082 52 K CB -0.474 32.031 32.500 0.008 0.000 0.700 52 K HN 1.097 nan 8.250 nan 0.000 0.403 53 G N 1.377 110.183 108.800 0.010 0.000 2.955 53 G HA2 -0.284 3.695 3.960 0.031 0.000 0.230 53 G HA3 -0.284 3.695 3.960 0.031 0.000 0.230 53 G C 0.113 175.020 174.900 0.012 0.000 1.587 53 G CA 0.298 45.406 45.100 0.012 0.000 1.216 53 G HN 0.267 nan 8.290 nan 0.000 0.527 54 D N 1.078 121.486 120.400 0.014 0.000 2.269 54 D HA 0.174 4.832 4.640 0.031 0.000 0.220 54 D C 1.222 177.531 176.300 0.016 0.000 0.962 54 D CA 0.841 54.851 54.000 0.016 0.000 0.884 54 D CB 0.026 40.836 40.800 0.017 0.000 1.023 54 D HN 0.447 nan 8.370 nan 0.000 0.484 55 E N 1.342 121.551 120.200 0.015 0.000 2.415 55 E HA -0.011 4.358 4.350 0.031 0.000 0.263 55 E C -0.746 175.861 176.600 0.013 0.000 0.995 55 E CA 0.388 56.796 56.400 0.014 0.000 0.915 55 E CB 0.351 30.058 29.700 0.013 0.000 0.951 55 E HN 0.060 nan 8.360 nan 0.000 0.449 56 I N 4.028 124.606 120.570 0.014 0.000 2.447 56 I HA 0.128 4.317 4.170 0.031 0.000 0.287 56 I C 0.059 176.182 176.117 0.011 0.000 1.023 56 I CA -0.660 60.647 61.300 0.011 0.000 1.083 56 I CB 1.369 39.375 38.000 0.011 0.000 1.245 56 I HN 0.302 nan 8.210 nan 0.000 0.434 57 T N 6.388 120.946 114.554 0.008 0.000 2.737 57 T HA 0.504 4.872 4.350 0.031 0.000 0.296 57 T C 0.158 174.861 174.700 0.005 0.000 0.922 57 T CA -0.265 61.839 62.100 0.007 0.000 1.079 57 T CB 0.614 69.484 68.868 0.005 0.000 0.892 57 T HN 0.510 nan 8.240 nan 0.000 0.514 58 V N 1.579 121.497 119.914 0.007 0.000 2.925 58 V HA 0.742 4.880 4.120 0.031 0.000 0.311 58 V C -0.730 175.367 176.094 0.004 0.000 1.104 58 V CA -1.242 61.060 62.300 0.003 0.000 0.954 58 V CB 2.300 34.127 31.823 0.006 0.000 1.022 58 V HN 0.607 nan 8.190 nan 0.000 0.427 59 K N 4.069 124.468 120.400 -0.002 0.000 2.213 59 K HA 0.456 4.795 4.320 0.031 0.000 0.270 59 K C -0.646 175.952 176.600 -0.003 0.000 1.002 59 K CA -0.711 55.576 56.287 -0.001 0.000 0.868 59 K CB 1.445 33.943 32.500 -0.004 0.000 1.093 59 K HN 0.784 nan 8.250 nan 0.000 0.454 60 I N 5.377 125.949 120.570 0.005 0.000 2.618 60 I HA -0.107 4.082 4.170 0.031 0.000 0.284 60 I C 1.952 178.067 176.117 -0.003 0.000 1.146 60 I CA 0.194 61.498 61.300 0.007 0.000 1.425 60 I CB 0.877 38.889 38.000 0.021 0.000 1.383 60 I HN 0.475 nan 8.210 nan 0.000 0.562 61 V N 7.025 126.928 119.914 -0.018 0.000 2.214 61 V HA -0.240 3.899 4.120 0.031 0.000 0.244 61 V C 1.768 177.857 176.094 -0.007 0.000 1.045 61 V CA 2.481 64.766 62.300 -0.025 0.000 0.993 61 V CB -0.453 31.336 31.823 -0.055 0.000 0.633 61 V HN 0.936 nan 8.190 nan 0.000 0.449 62 A N -0.985 121.836 122.820 0.002 0.000 2.684 62 A HA 0.177 4.515 4.320 0.031 0.000 0.288 62 A C 1.369 178.964 177.584 0.018 0.000 1.337 62 A CA 0.576 52.620 52.037 0.011 0.000 0.946 62 A CB -0.261 18.749 19.000 0.017 0.000 1.093 62 A HN 0.655 nan 8.150 nan 0.000 0.543 63 D N -1.494 118.916 120.400 0.018 0.000 2.504 63 D HA 0.000 4.659 4.640 0.031 0.000 0.276 63 D C 0.607 176.916 176.300 0.015 0.000 1.073 63 D CA 1.240 55.252 54.000 0.020 0.000 0.905 63 D CB 0.341 41.157 40.800 0.027 0.000 1.350 63 D HN 0.094 nan 8.370 nan 0.000 0.496 64 S N -0.958 114.748 115.700 0.012 0.000 3.171 64 S HA -0.142 4.346 4.470 0.031 0.000 0.279 64 S C -0.051 174.554 174.600 0.009 0.000 1.294 64 S CA 0.886 59.091 58.200 0.008 0.000 1.077 64 S CB -1.850 61.354 63.200 0.007 0.000 1.298 64 S HN 0.403 nan 8.310 nan 0.000 0.666 65 S N 1.954 117.662 115.700 0.012 0.000 2.659 65 S HA 0.556 5.045 4.470 0.031 0.000 0.312 65 S C 0.249 174.857 174.600 0.014 0.000 1.114 65 S CA 0.113 58.320 58.200 0.012 0.000 1.063 65 S CB 1.131 64.338 63.200 0.012 0.000 0.996 65 S HN 0.595 nan 8.310 nan 0.000 0.478 66 T N 2.608 117.169 114.554 0.012 0.000 2.908 66 T HA 0.335 4.703 4.350 0.031 0.000 0.325 66 T C 0.018 174.727 174.700 0.015 0.000 1.092 66 T CA -0.166 61.941 62.100 0.013 0.000 1.125 66 T CB 0.031 68.905 68.868 0.009 0.000 1.016 66 T HN 0.916 nan 8.240 nan 0.000 0.550 67 R N -0.305 120.206 120.500 0.018 0.000 2.712 67 R HA 0.539 4.897 4.340 0.031 0.000 0.272 67 R C -0.639 175.673 176.300 0.021 0.000 1.032 67 R CA -0.905 55.206 56.100 0.019 0.000 0.874 67 R CB 0.604 30.918 30.300 0.023 0.000 1.256 67 R HN 0.759 nan 8.270 nan 0.000 0.468 68 T N -0.143 114.423 114.554 0.020 0.000 2.918 68 T HA 0.473 4.841 4.350 0.031 0.000 0.302 68 T C 0.156 174.871 174.700 0.026 0.000 1.045 68 T CA 0.144 62.256 62.100 0.020 0.000 1.114 68 T CB 0.739 69.617 68.868 0.017 0.000 0.965 68 T HN 1.012 nan 8.240 nan 0.000 0.540 69 V N 0.815 120.745 119.914 0.026 0.000 2.789 69 V HA 0.541 4.680 4.120 0.031 0.000 0.300 69 V C -0.640 175.472 176.094 0.030 0.000 1.184 69 V CA -1.514 60.806 62.300 0.034 0.000 0.930 69 V CB 1.577 33.425 31.823 0.042 0.000 1.041 69 V HN 0.834 nan 8.190 nan 0.000 0.430 70 K N 2.769 123.189 120.400 0.032 0.000 2.436 70 K HA 0.136 4.474 4.320 0.031 0.000 0.275 70 K C 1.006 177.623 176.600 0.029 0.000 0.999 70 K CA 0.116 56.420 56.287 0.029 0.000 0.980 70 K CB 1.139 33.657 32.500 0.031 0.000 0.919 70 K HN 0.948 nan 8.250 nan 0.000 0.484 71 K N 2.423 122.836 120.400 0.022 0.000 2.515 71 K HA -0.108 4.231 4.320 0.031 0.000 0.196 71 K C -0.154 176.457 176.600 0.019 0.000 1.038 71 K CA 1.110 57.407 56.287 0.018 0.000 0.967 71 K CB 0.309 32.815 32.500 0.011 0.000 0.780 71 K HN 0.428 nan 8.250 nan 0.000 0.483 72 D N 0.403 120.819 120.400 0.026 0.000 2.349 72 D HA -0.031 4.627 4.640 0.031 0.000 0.214 72 D C 0.313 176.636 176.300 0.037 0.000 1.063 72 D CA 0.225 54.243 54.000 0.029 0.000 0.847 72 D CB 0.488 41.307 40.800 0.032 0.000 0.933 72 D HN 0.244 nan 8.370 nan 0.000 0.513 73 D N 0.694 121.122 120.400 0.047 0.000 2.380 73 D HA 0.118 4.777 4.640 0.031 0.000 0.212 73 D C 1.249 177.588 176.300 0.063 0.000 1.021 73 D CA -0.059 53.985 54.000 0.074 0.000 0.884 73 D CB 1.244 42.100 40.800 0.093 0.000 1.001 73 D HN 0.206 nan 8.370 nan 0.000 0.506 74 I N 1.379 121.973 120.570 0.041 0.000 2.872 74 I HA -0.069 4.120 4.170 0.031 0.000 0.291 74 I C 0.610 176.714 176.117 -0.022 0.000 1.216 74 I CA 0.706 62.020 61.300 0.024 0.000 1.424 74 I CB 0.327 38.335 38.000 0.013 0.000 1.351 74 I HN -0.221 nan 8.210 nan 0.000 0.592 75 Q N 3.264 123.035 119.800 -0.048 0.000 2.372 75 Q HA 0.375 4.733 4.340 0.031 0.000 0.273 75 Q C -0.944 174.988 176.000 -0.113 0.000 1.078 75 Q CA -0.702 55.032 55.803 -0.116 0.000 0.806 75 Q CB 2.484 31.057 28.738 -0.275 0.000 1.332 75 Q HN 0.718 nan 8.270 nan 0.000 0.435 76 S N 2.021 117.575 115.700 -0.243 0.000 2.576 76 S HA 0.286 4.774 4.470 0.031 0.000 0.272 76 S C -0.217 174.137 174.600 -0.409 0.000 1.352 76 S CA 0.113 57.980 58.200 -0.555 0.000 1.021 76 S CB 0.436 62.926 63.200 -1.184 0.000 0.887 76 S HN 0.593 nan 8.310 nan 0.000 0.542 77 M N 1.982 121.306 119.600 -0.461 0.000 2.446 77 M HA 0.373 4.871 4.480 0.031 0.000 0.294 77 M C -1.485 174.856 176.300 0.067 0.000 1.158 77 M CA -0.728 54.508 55.300 -0.106 0.000 0.899 77 M CB 1.446 33.830 32.600 -0.359 0.000 1.687 77 M HN 0.497 nan 8.290 nan 0.000 0.455 78 N N 4.098 122.932 118.700 0.223 0.000 2.445 78 N HA 0.559 5.317 4.740 0.031 0.000 0.264 78 N C -2.538 172.994 175.510 0.037 0.000 1.227 78 N CA -0.726 52.543 53.050 0.366 0.000 0.963 78 N CB 0.746 39.477 38.487 0.407 0.000 1.188 78 N HN 0.506 nan 8.380 nan 0.000 0.491 79 P HA 0.273 nan 4.420 nan 0.000 0.277 79 P C -2.053 175.285 177.300 0.064 0.000 1.271 79 P CA -0.975 62.174 63.100 0.081 0.000 0.795 79 P CB 0.336 32.275 31.700 0.398 0.000 1.101 80 P HA -0.129 nan 4.420 nan 0.000 0.208 80 P C 1.157 178.541 177.300 0.140 0.000 1.195 80 P CA 1.713 64.852 63.100 0.065 0.000 0.927 80 P CB -0.253 31.488 31.700 0.068 0.000 0.778 81 K N -1.069 119.413 120.400 0.136 0.000 2.642 81 K HA -0.081 4.258 4.320 0.031 0.000 0.194 81 K C 1.266 178.005 176.600 0.233 0.000 1.039 81 K CA 0.835 57.205 56.287 0.138 0.000 0.947 81 K CB -1.350 31.201 32.500 0.084 0.000 0.784 81 K HN 0.381 nan 8.250 nan 0.000 0.491 82 F N 0.328 120.312 119.950 0.056 0.000 2.661 82 F HA 0.093 4.639 4.527 0.031 0.000 0.306 82 F C 0.724 176.577 175.800 0.088 0.000 1.094 82 F CA -0.630 57.409 58.000 0.065 0.000 1.254 82 F CB 0.748 39.787 39.000 0.065 0.000 1.040 82 F HN -0.035 nan 8.300 nan 0.000 0.562 83 E N 1.727 122.047 120.200 0.200 0.000 2.283 83 E HA 0.104 4.473 4.350 0.031 0.000 0.267 83 E C 0.205 176.884 176.600 0.132 0.000 1.045 83 E CA -0.465 56.038 56.400 0.171 0.000 0.884 83 E CB 1.328 31.153 29.700 0.209 0.000 1.106 83 E HN 0.150 nan 8.360 nan 0.000 0.408 84 K N 1.955 122.429 120.400 0.123 0.000 3.035 84 K HA -0.202 4.137 4.320 0.031 0.000 0.262 84 K C -0.488 176.143 176.600 0.053 0.000 1.024 84 K CA 0.169 56.490 56.287 0.057 0.000 0.748 84 K CB -1.222 31.305 32.500 0.046 0.000 1.247 84 K HN 0.461 nan 8.250 nan 0.000 0.482 85 L N 1.337 122.587 121.223 0.044 0.000 2.453 85 L HA 0.023 4.381 4.340 0.031 0.000 0.272 85 L C 1.375 178.291 176.870 0.077 0.000 1.182 85 L CA 0.631 55.500 54.840 0.048 0.000 0.858 85 L CB 0.867 42.904 42.059 -0.037 0.000 1.120 85 L HN 0.222 nan 8.230 nan 0.000 0.474 86 E N 1.433 121.705 120.200 0.120 0.000 2.047 86 E HA -0.118 4.251 4.350 0.031 0.000 0.191 86 E C -0.234 176.548 176.600 0.303 0.000 0.987 86 E CA 1.202 57.723 56.400 0.201 0.000 0.799 86 E CB 0.207 30.039 29.700 0.220 0.000 0.752 86 E HN 0.629 nan 8.360 nan 0.000 0.449 87 D N -0.863 119.666 120.400 0.216 0.000 2.505 87 D HA 0.148 4.807 4.640 0.031 0.000 0.250 87 D C 0.396 176.762 176.300 0.110 0.000 1.164 87 D CA -0.194 53.932 54.000 0.210 0.000 0.870 87 D CB 1.137 42.012 40.800 0.124 0.000 1.160 87 D HN -0.072 nan 8.370 nan 0.000 0.549 88 M N 2.060 121.714 119.600 0.090 0.000 2.557 88 M HA 0.000 4.499 4.480 0.031 0.000 0.259 88 M C 1.811 178.123 176.300 0.020 0.000 1.086 88 M CA 0.425 55.731 55.300 0.010 0.000 1.096 88 M CB 0.110 32.713 32.600 0.006 0.000 1.424 88 M HN 0.426 nan 8.290 nan 0.000 0.488 89 A N 0.847 123.706 122.820 0.064 0.000 1.969 89 A HA -0.074 4.264 4.320 0.031 0.000 0.218 89 A C 1.278 178.906 177.584 0.073 0.000 1.169 89 A CA 1.139 53.213 52.037 0.061 0.000 0.635 89 A CB -0.450 18.596 19.000 0.077 0.000 0.810 89 A HN 0.438 nan 8.150 nan 0.000 0.445 90 N N 0.479 119.238 118.700 0.099 0.000 3.243 90 N HA 0.255 5.013 4.740 0.031 0.000 0.310 90 N C -0.595 175.092 175.510 0.295 0.000 1.313 90 N CA 0.486 53.639 53.050 0.171 0.000 1.204 90 N CB -0.064 38.536 38.487 0.187 0.000 1.483 90 N HN 0.523 nan 8.380 nan 0.000 0.553 91 M N -1.196 118.530 119.600 0.209 0.000 2.644 91 M HA 0.219 4.717 4.480 0.031 0.000 0.304 91 M C 0.990 177.451 176.300 0.268 0.000 1.215 91 M CA -0.554 54.891 55.300 0.243 0.000 0.871 91 M CB 2.131 34.645 32.600 -0.142 0.000 1.740 91 M HN -0.041 nan 8.290 nan 0.000 0.464 92 T N -0.122 114.657 114.554 0.375 0.000 2.901 92 T HA 0.044 4.412 4.350 0.031 0.000 0.252 92 T C 0.137 174.688 174.700 -0.248 0.000 1.035 92 T CA 1.356 63.422 62.100 -0.056 0.000 1.142 92 T CB -0.024 68.712 68.868 -0.219 0.000 0.869 92 T HN 0.484 nan 8.240 nan 0.000 0.442 93 Y N 2.515 122.905 120.300 0.149 0.000 2.696 93 Y HA 0.437 5.005 4.550 0.031 0.000 0.378 93 Y C 0.096 175.997 175.900 0.002 0.000 1.012 93 Y CA -1.783 56.357 58.100 0.067 0.000 1.396 93 Y CB -0.533 37.975 38.460 0.080 0.000 1.415 93 Y HN 0.093 nan 8.280 nan 0.000 0.569 94 L N 1.643 122.923 121.223 0.094 0.000 2.449 94 L HA 0.250 4.609 4.340 0.031 0.000 0.266 94 L C -0.264 176.619 176.870 0.021 0.000 1.321 94 L CA -0.079 54.779 54.840 0.029 0.000 1.194 94 L CB -0.995 41.063 42.059 -0.001 0.000 1.384 94 L HN 0.370 nan 8.230 nan 0.000 0.438 95 N N 0.164 118.870 118.700 0.010 0.000 2.653 95 N HA 0.291 5.050 4.740 0.031 0.000 0.294 95 N C 0.471 175.922 175.510 -0.098 0.000 1.305 95 N CA -0.479 52.550 53.050 -0.034 0.000 0.827 95 N CB 0.481 38.939 38.487 -0.048 0.000 1.415 95 N HN 0.324 nan 8.380 nan 0.000 0.546 96 E N -0.091 120.038 120.200 -0.117 0.000 2.026 96 E HA -0.208 4.161 4.350 0.031 0.000 0.206 96 E C 1.459 177.918 176.600 -0.235 0.000 1.028 96 E CA 2.774 59.114 56.400 -0.100 0.000 0.845 96 E CB -0.578 29.128 29.700 0.011 0.000 0.772 96 E HN 0.697 nan 8.360 nan 0.000 0.462 97 A N -0.256 122.156 122.820 -0.680 0.000 2.248 97 A HA -0.084 4.255 4.320 0.031 0.000 0.210 97 A C 1.935 178.903 177.584 -1.027 0.000 1.174 97 A CA 1.492 52.897 52.037 -1.054 0.000 0.750 97 A CB -0.447 17.473 19.000 -1.801 0.000 0.780 97 A HN 0.359 nan 8.150 nan 0.000 0.478 98 S N -1.630 113.784 115.700 -0.477 0.000 2.591 98 S HA -0.000 4.488 4.470 0.031 0.000 0.235 98 S C 1.633 176.185 174.600 -0.080 0.000 1.074 98 S CA 0.838 58.918 58.200 -0.199 0.000 0.925 98 S CB -0.777 62.404 63.200 -0.031 0.000 0.818 98 S HN 0.177 nan 8.310 nan 0.000 0.535 99 V N 2.781 122.637 119.914 -0.097 0.000 2.233 99 V HA -0.124 4.015 4.120 0.031 0.000 0.247 99 V C 2.478 178.534 176.094 -0.063 0.000 1.050 99 V CA 1.888 64.151 62.300 -0.061 0.000 1.010 99 V CB -1.126 30.659 31.823 -0.065 0.000 0.637 99 V HN 0.483 nan 8.190 nan 0.000 0.444 100 L N -1.058 120.111 121.223 -0.089 0.000 2.456 100 L HA -0.203 4.155 4.340 0.031 0.000 0.225 100 L C 1.907 178.724 176.870 -0.089 0.000 1.142 100 L CA 1.838 56.623 54.840 -0.091 0.000 0.796 100 L CB -0.741 41.280 42.059 -0.063 0.000 0.920 100 L HN 0.525 nan 8.230 nan 0.000 0.446 101 Y N -0.557 119.631 120.300 -0.186 0.000 2.304 101 Y HA -0.044 4.524 4.550 0.029 0.000 0.265 101 Y C 2.483 178.370 175.900 -0.021 0.000 1.074 101 Y CA 1.365 59.411 58.100 -0.089 0.000 1.102 101 Y CB -0.686 37.773 38.460 -0.002 0.000 1.037 101 Y HN 0.172 nan 8.280 nan 0.000 0.484 102 N N 0.653 119.433 118.700 0.133 0.000 2.204 102 N HA -0.320 4.439 4.740 0.031 0.000 0.192 102 N C 1.779 177.217 175.510 -0.120 0.000 0.938 102 N CA 2.778 55.838 53.050 0.016 0.000 0.904 102 N CB -0.895 37.626 38.487 0.058 0.000 1.069 102 N HN 0.521 nan 8.380 nan 0.000 0.711 103 L N -0.156 121.012 121.223 -0.092 0.000 1.978 103 L HA -0.264 4.094 4.340 0.031 0.000 0.218 103 L C 2.581 179.391 176.870 -0.100 0.000 1.075 103 L CA 2.011 56.796 54.840 -0.091 0.000 0.767 103 L CB -0.625 41.369 42.059 -0.107 0.000 0.890 103 L HN 0.308 nan 8.230 nan 0.000 0.434 104 R N 0.189 120.596 120.500 -0.155 0.000 2.113 104 R HA -0.205 4.153 4.340 0.031 0.000 0.244 104 R C 2.374 178.587 176.300 -0.145 0.000 1.142 104 R CA 2.228 58.250 56.100 -0.130 0.000 0.953 104 R CB -0.431 29.765 30.300 -0.173 0.000 0.860 104 R HN 0.218 nan 8.270 nan 0.000 0.438 105 S N -0.008 115.494 115.700 -0.329 0.000 2.365 105 S HA -0.154 4.335 4.470 0.031 0.000 0.225 105 S C 1.908 176.436 174.600 -0.121 0.000 1.039 105 S CA 1.760 59.786 58.200 -0.289 0.000 1.033 105 S CB -0.264 62.686 63.200 -0.415 0.000 0.887 105 S HN 0.443 nan 8.310 nan 0.000 0.447 106 R N -0.715 119.736 120.500 -0.082 0.000 2.075 106 R HA -0.043 4.315 4.340 0.031 0.000 0.232 106 R C 2.242 178.541 176.300 -0.000 0.000 1.126 106 R CA 1.358 57.439 56.100 -0.031 0.000 0.963 106 R CB -0.517 29.775 30.300 -0.015 0.000 0.858 106 R HN 0.417 nan 8.270 nan 0.000 0.435 107 Y N 1.871 122.102 120.300 -0.115 0.000 2.049 107 Y HA -0.262 4.308 4.550 0.033 0.000 0.277 107 Y C 2.252 178.097 175.900 -0.092 0.000 1.143 107 Y CA 1.995 60.030 58.100 -0.109 0.000 1.115 107 Y CB -0.688 37.700 38.460 -0.121 0.000 0.975 107 Y HN -0.065 nan 8.280 nan 0.000 0.487 108 T N -0.576 113.979 114.554 0.003 0.000 2.969 108 T HA -0.152 4.217 4.350 0.031 0.000 0.271 108 T C 1.498 176.123 174.700 -0.124 0.000 1.127 108 T CA 1.549 63.600 62.100 -0.081 0.000 1.102 108 T CB -0.348 68.507 68.868 -0.023 0.000 0.855 108 T HN 0.253 nan 8.240 nan 0.000 0.536 109 S N -0.421 115.207 115.700 -0.121 0.000 2.593 109 S HA 0.439 4.927 4.470 0.031 0.000 0.236 109 S C 1.368 175.869 174.600 -0.165 0.000 0.991 109 S CA 0.157 58.281 58.200 -0.127 0.000 0.963 109 S CB 0.636 63.784 63.200 -0.087 0.000 0.865 109 S HN 0.663 nan 8.310 nan 0.000 0.488 110 G N 1.860 110.546 108.800 -0.190 0.000 2.149 110 G HA2 -0.202 3.777 3.960 0.031 0.000 0.235 110 G HA3 -0.202 3.777 3.960 0.031 0.000 0.235 110 G C -0.252 174.607 174.900 -0.069 0.000 1.018 110 G CA 0.005 45.009 45.100 -0.160 0.000 0.728 110 G HN 0.471 nan 8.290 nan 0.000 0.508 111 L N -1.560 119.626 121.223 -0.061 0.000 2.370 111 L HA 0.803 5.161 4.340 0.031 0.000 0.266 111 L C 0.837 177.702 176.870 -0.008 0.000 1.002 111 L CA -1.394 53.443 54.840 -0.005 0.000 0.818 111 L CB 1.545 43.606 42.059 0.004 0.000 1.325 111 L HN -0.072 nan 8.230 nan 0.000 0.418 112 I N -0.537 120.022 120.570 -0.019 0.000 4.607 112 I HA 0.169 4.358 4.170 0.031 0.000 0.324 112 I C -0.140 175.838 176.117 -0.232 0.000 1.279 112 I CA -0.011 61.224 61.300 -0.107 0.000 1.286 112 I CB 0.256 38.117 38.000 -0.232 0.000 1.265 112 I HN 0.316 nan 8.210 nan 0.000 0.446 113 Y N 1.436 121.669 120.300 -0.111 0.000 2.308 113 Y HA 0.612 5.181 4.550 0.031 0.000 0.329 113 Y C 0.408 176.170 175.900 -0.230 0.000 1.111 113 Y CA -0.109 57.883 58.100 -0.180 0.000 1.179 113 Y CB 1.142 39.469 38.460 -0.223 0.000 1.201 113 Y HN -0.120 nan 8.280 nan 0.000 0.483 114 T N 2.199 116.674 114.554 -0.131 0.000 2.853 114 T HA 0.489 4.858 4.350 0.031 0.000 0.311 114 T C -1.745 172.844 174.700 -0.184 0.000 1.307 114 T CA -1.067 60.921 62.100 -0.186 0.000 1.019 114 T CB 1.007 69.853 68.868 -0.036 0.000 1.264 114 T HN 0.271 nan 8.240 nan 0.000 0.497 115 Y N -0.175 120.199 120.300 0.123 0.000 2.485 115 Y HA 0.779 5.347 4.550 0.030 0.000 0.345 115 Y C 0.395 176.363 175.900 0.113 0.000 0.998 115 Y CA -1.321 56.862 58.100 0.139 0.000 1.059 115 Y CB 2.059 40.604 38.460 0.142 0.000 1.234 115 Y HN 0.571 nan 8.280 nan 0.000 0.461 116 S N 1.757 117.643 115.700 0.309 0.000 2.496 116 S HA 0.591 5.080 4.470 0.031 0.000 0.221 116 S C 0.156 174.888 174.600 0.220 0.000 1.260 116 S CA 0.138 58.450 58.200 0.187 0.000 1.181 116 S CB -0.459 62.798 63.200 0.096 0.000 1.136 116 S HN 1.486 nan 8.310 nan 0.000 0.467 117 G N 3.350 112.266 108.800 0.193 0.000 2.528 117 G HA2 -0.241 3.738 3.960 0.031 0.000 0.262 117 G HA3 -0.241 3.738 3.960 0.031 0.000 0.262 117 G C 0.102 175.192 174.900 0.317 0.000 1.200 117 G CA 0.071 45.297 45.100 0.209 0.000 0.951 117 G HN 1.047 nan 8.290 nan 0.000 0.566 118 L N 0.686 122.166 121.223 0.428 0.000 2.939 118 L HA 0.565 4.924 4.340 0.031 0.000 0.239 118 L C -0.730 176.234 176.870 0.157 0.000 1.325 118 L CA -0.320 54.684 54.840 0.273 0.000 1.170 118 L CB -0.619 41.512 42.059 0.121 0.000 1.538 118 L HN 0.297 nan 8.230 nan 0.000 0.452 119 F N -1.389 118.665 119.950 0.173 0.000 2.539 119 F HA 0.291 4.840 4.527 0.036 0.000 0.318 119 F C 0.144 176.078 175.800 0.223 0.000 1.135 119 F CA -0.955 57.162 58.000 0.195 0.000 0.915 119 F CB 0.867 39.943 39.000 0.126 0.000 1.176 119 F HN -0.222 nan 8.300 nan 0.000 0.440 120 C N 4.992 124.490 119.300 0.330 0.000 2.452 120 C HA 0.648 5.127 4.460 0.031 0.000 0.379 120 C C -0.273 174.819 174.990 0.170 0.000 1.275 120 C CA -0.354 58.814 59.018 0.250 0.000 2.056 120 C CB -0.430 27.448 27.740 0.229 0.000 2.506 120 C HN 0.541 nan 8.230 nan 0.000 0.560 121 I N 4.954 125.576 120.570 0.087 0.000 2.476 121 I HA 0.425 4.614 4.170 0.031 0.000 0.281 121 I C 0.031 176.081 176.117 -0.111 0.000 1.040 121 I CA 0.001 61.303 61.300 0.003 0.000 1.094 121 I CB 1.098 39.099 38.000 0.002 0.000 1.219 121 I HN 0.787 nan 8.210 nan 0.000 0.450 122 A N 7.322 130.019 122.820 -0.204 0.000 2.340 122 A HA 0.673 5.012 4.320 0.031 0.000 0.297 122 A C -0.807 176.603 177.584 -0.291 0.000 1.195 122 A CA -0.476 51.295 52.037 -0.444 0.000 0.769 122 A CB 1.058 19.601 19.000 -0.763 0.000 1.163 122 A HN 0.311 nan 8.150 nan 0.000 0.472 123 V N 3.692 123.454 119.914 -0.254 0.000 2.368 123 V HA 0.123 4.262 4.120 0.031 0.000 0.266 123 V C 0.735 176.705 176.094 -0.207 0.000 1.045 123 V CA -0.921 61.206 62.300 -0.289 0.000 0.899 123 V CB 0.798 32.346 31.823 -0.458 0.000 1.006 123 V HN 0.916 nan 8.190 nan 0.000 0.470 124 N N 8.188 126.741 118.700 -0.245 0.000 2.256 124 N HA -0.027 4.732 4.740 0.031 0.000 0.277 124 N C -2.242 173.147 175.510 -0.203 0.000 1.362 124 N CA -0.754 52.150 53.050 -0.244 0.000 0.861 124 N CB 0.688 38.967 38.487 -0.346 0.000 1.136 124 N HN 0.393 nan 8.380 nan 0.000 0.492 125 P HA 0.112 nan 4.420 nan 0.000 0.295 125 P C -0.100 177.232 177.300 0.054 0.000 1.354 125 P CA -0.286 62.814 63.100 -0.000 0.000 0.814 125 P CB 0.058 31.738 31.700 -0.034 0.000 0.935 126 Y N 2.684 123.023 120.300 0.066 0.000 2.680 126 Y HA -0.091 4.478 4.550 0.031 0.000 0.303 126 Y C 1.715 177.631 175.900 0.027 0.000 1.166 126 Y CA -0.374 57.752 58.100 0.043 0.000 1.344 126 Y CB 0.251 38.738 38.460 0.045 0.000 1.002 126 Y HN 0.349 nan 8.280 nan 0.000 0.537 127 R N -0.638 119.962 120.500 0.167 0.000 2.875 127 R HA 0.520 4.879 4.340 0.031 0.000 0.251 127 R C -0.324 176.018 176.300 0.070 0.000 1.123 127 R CA -1.127 55.028 56.100 0.092 0.000 1.064 127 R CB 0.933 31.264 30.300 0.052 0.000 1.205 127 R HN -0.181 nan 8.270 nan 0.000 0.503 128 R N 0.442 120.968 120.500 0.043 0.000 2.637 128 R HA 0.450 4.809 4.340 0.031 0.000 0.269 128 R C -0.445 175.832 176.300 -0.037 0.000 1.089 128 R CA -0.403 55.718 56.100 0.035 0.000 1.177 128 R CB 0.312 30.631 30.300 0.032 0.000 1.091 128 R HN 0.575 nan 8.270 nan 0.000 0.540 129 L N 2.350 123.519 121.223 -0.089 0.000 2.482 129 L HA 0.296 4.654 4.340 0.031 0.000 0.263 129 L C -1.471 175.152 176.870 -0.412 0.000 0.957 129 L CA -1.594 53.093 54.840 -0.256 0.000 0.836 129 L CB 3.074 44.982 42.059 -0.252 0.000 1.324 129 L HN 0.425 nan 8.230 nan 0.000 0.406 130 P HA -0.121 nan 4.420 nan 0.000 0.231 130 P C 1.263 178.361 177.300 -0.338 0.000 1.158 130 P CA 0.832 63.739 63.100 -0.321 0.000 0.763 130 P CB 0.051 31.562 31.700 -0.315 0.000 0.805 131 I N -4.865 115.387 120.570 -0.531 0.000 3.055 131 I HA -0.190 3.998 4.170 0.031 0.000 0.277 131 I C 0.795 176.706 176.117 -0.344 0.000 1.306 131 I CA 1.320 62.344 61.300 -0.460 0.000 1.426 131 I CB -1.364 36.258 38.000 -0.631 0.000 1.081 131 I HN -0.116 nan 8.210 nan 0.000 0.502 132 Y N 1.573 121.899 120.300 0.044 0.000 2.467 132 Y HA 0.167 4.735 4.550 0.030 0.000 0.250 132 Y C 1.822 177.865 175.900 0.239 0.000 1.155 132 Y CA -0.931 57.253 58.100 0.140 0.000 1.249 132 Y CB -1.078 37.467 38.460 0.140 0.000 1.146 132 Y HN 0.178 nan 8.280 nan 0.000 0.524 133 T N -1.149 113.548 114.554 0.239 0.000 2.923 133 T HA -0.114 4.254 4.350 0.031 0.000 0.304 133 T C 0.804 175.620 174.700 0.193 0.000 1.044 133 T CA 0.193 62.396 62.100 0.171 0.000 1.141 133 T CB 0.529 69.450 68.868 0.088 0.000 1.023 133 T HN 0.253 nan 8.240 nan 0.000 0.533 134 D N 2.122 122.591 120.400 0.116 0.000 2.228 134 D HA -0.162 4.496 4.640 0.031 0.000 0.203 134 D C 2.315 178.659 176.300 0.074 0.000 0.988 134 D CA 1.914 55.950 54.000 0.060 0.000 0.864 134 D CB -0.213 40.593 40.800 0.010 0.000 0.928 134 D HN 0.804 nan 8.370 nan 0.000 0.469 135 S N -0.113 115.637 115.700 0.082 0.000 2.359 135 S HA -0.211 4.277 4.470 0.031 0.000 0.223 135 S C 2.187 176.872 174.600 0.141 0.000 1.039 135 S CA 1.339 59.583 58.200 0.073 0.000 1.042 135 S CB -0.924 62.299 63.200 0.039 0.000 0.915 135 S HN 0.153 nan 8.310 nan 0.000 0.439 136 V N 2.771 122.812 119.914 0.210 0.000 2.255 136 V HA -0.170 3.969 4.120 0.031 0.000 0.247 136 V C 2.548 178.932 176.094 0.483 0.000 1.051 136 V CA 2.000 64.525 62.300 0.376 0.000 1.018 136 V CB -0.963 31.088 31.823 0.381 0.000 0.641 136 V HN 0.494 nan 8.190 nan 0.000 0.445 137 I N 0.511 121.302 120.570 0.368 0.000 2.113 137 I HA -0.382 3.807 4.170 0.031 0.000 0.242 137 I C 2.722 178.903 176.117 0.107 0.000 1.057 137 I CA 1.989 63.301 61.300 0.019 0.000 1.314 137 I CB -0.749 37.072 38.000 -0.298 0.000 1.022 137 I HN 0.363 nan 8.210 nan 0.000 0.408 138 A N 0.911 123.781 122.820 0.084 0.000 1.883 138 A HA -0.253 4.085 4.320 0.031 0.000 0.217 138 A C 2.177 179.855 177.584 0.156 0.000 1.186 138 A CA 1.909 53.987 52.037 0.068 0.000 0.624 138 A CB -0.624 18.400 19.000 0.041 0.000 0.822 138 A HN 0.403 nan 8.150 nan 0.000 0.444 139 K N -1.961 118.585 120.400 0.244 0.000 2.589 139 K HA -0.136 4.202 4.320 0.031 0.000 0.195 139 K C 1.150 177.894 176.600 0.240 0.000 1.040 139 K CA 1.278 57.721 56.287 0.259 0.000 0.950 139 K CB -0.232 32.482 32.500 0.356 0.000 0.781 139 K HN 0.691 nan 8.250 nan 0.000 0.486 140 Y N 0.178 120.580 120.300 0.168 0.000 2.439 140 Y HA 0.105 4.674 4.550 0.030 0.000 0.281 140 Y C 0.755 176.731 175.900 0.128 0.000 1.145 140 Y CA -0.351 57.855 58.100 0.176 0.000 1.252 140 Y CB -0.092 38.517 38.460 0.248 0.000 1.271 140 Y HN -0.151 nan 8.280 nan 0.000 0.516 141 R N 0.673 121.352 120.500 0.298 0.000 2.505 141 R HA 0.033 4.391 4.340 0.031 0.000 0.274 141 R C 1.131 177.484 176.300 0.089 0.000 0.955 141 R CA 1.580 57.788 56.100 0.179 0.000 1.109 141 R CB -0.336 30.005 30.300 0.068 0.000 0.890 141 R HN 0.755 nan 8.270 nan 0.000 0.415 142 G N 2.574 111.413 108.800 0.066 0.000 2.205 142 G HA2 -0.268 3.710 3.960 0.031 0.000 0.261 142 G HA3 -0.268 3.710 3.960 0.031 0.000 0.261 142 G C -0.272 174.640 174.900 0.020 0.000 0.980 142 G CA 0.417 45.534 45.100 0.028 0.000 0.632 142 G HN 0.516 nan 8.290 nan 0.000 0.533 143 K N 0.707 121.123 120.400 0.027 0.000 2.322 143 K HA 0.481 4.819 4.320 0.031 0.000 0.283 143 K C 0.733 177.339 176.600 0.011 0.000 1.042 143 K CA -0.758 55.529 56.287 0.001 0.000 0.958 143 K CB 1.093 33.562 32.500 -0.050 0.000 0.984 143 K HN 0.337 nan 8.250 nan 0.000 0.473 144 R N 1.865 122.369 120.500 0.007 0.000 2.641 144 R HA -0.007 4.351 4.340 0.031 0.000 0.269 144 R C 1.041 177.342 176.300 0.001 0.000 1.074 144 R CA 0.144 56.250 56.100 0.009 0.000 1.133 144 R CB 0.417 30.723 30.300 0.010 0.000 1.029 144 R HN 0.405 nan 8.270 nan 0.000 0.488 145 K N 0.748 121.145 120.400 -0.006 0.000 2.160 145 K HA -0.103 4.235 4.320 0.031 0.000 0.206 145 K C 0.639 177.200 176.600 -0.065 0.000 1.047 145 K CA 2.311 58.576 56.287 -0.037 0.000 0.930 145 K CB -0.087 32.370 32.500 -0.072 0.000 0.720 145 K HN 0.724 nan 8.250 nan 0.000 0.450 146 T N 0.601 115.129 114.554 -0.044 0.000 3.144 146 T HA 0.067 4.436 4.350 0.031 0.000 0.249 146 T C 0.715 175.409 174.700 -0.010 0.000 1.089 146 T CA 0.375 62.453 62.100 -0.037 0.000 0.989 146 T CB 0.024 68.878 68.868 -0.024 0.000 0.992 146 T HN 0.467 nan 8.240 nan 0.000 0.540 147 E N 0.861 121.059 120.200 -0.003 0.000 2.121 147 E HA 0.217 4.586 4.350 0.031 0.000 0.194 147 E C 0.588 177.175 176.600 -0.021 0.000 0.940 147 E CA -0.419 55.988 56.400 0.011 0.000 0.884 147 E CB -0.072 29.662 29.700 0.056 0.000 0.874 147 E HN 0.304 nan 8.360 nan 0.000 0.471 148 I N 3.586 124.120 120.570 -0.059 0.000 2.588 148 I HA 0.094 4.282 4.170 0.031 0.000 0.283 148 I C -2.406 173.678 176.117 -0.055 0.000 1.119 148 I CA -2.815 58.397 61.300 -0.148 0.000 1.419 148 I CB 0.450 38.225 38.000 -0.375 0.000 1.394 148 I HN -0.096 nan 8.210 nan 0.000 0.562 149 P HA 0.097 nan 4.420 nan 0.000 0.269 149 P C -2.641 174.790 177.300 0.219 0.000 1.217 149 P CA -1.010 62.115 63.100 0.042 0.000 0.783 149 P CB -0.735 30.924 31.700 -0.068 0.000 0.898 150 P HA -0.033 nan 4.420 nan 0.000 0.260 150 P C -0.305 177.041 177.300 0.077 0.000 1.185 150 P CA 1.257 64.444 63.100 0.145 0.000 0.763 150 P CB 0.091 31.639 31.700 -0.254 0.000 0.776 151 H N 3.541 122.553 119.070 -0.097 0.000 3.085 151 H HA 0.070 4.645 4.556 0.031 0.000 0.356 151 H C 0.501 175.460 175.328 -0.615 0.000 1.178 151 H CA -0.738 54.990 56.048 -0.533 0.000 1.214 151 H CB 1.493 31.088 29.762 -0.277 0.000 1.881 151 H HN 0.108 nan 8.280 nan 0.000 0.538 152 L N 4.200 124.945 121.223 -0.796 0.000 2.137 152 L HA -0.161 4.198 4.340 0.031 0.000 0.213 152 L C 1.295 178.109 176.870 -0.093 0.000 1.085 152 L CA 1.726 56.390 54.840 -0.294 0.000 0.760 152 L CB -1.208 40.748 42.059 -0.173 0.000 0.893 152 L HN 0.504 nan 8.230 nan 0.000 0.434 153 F N 0.318 119.986 119.950 -0.471 0.000 2.011 153 F HA -0.236 4.310 4.527 0.031 0.000 0.296 153 F C 2.804 178.319 175.800 -0.474 0.000 1.144 153 F CA 1.417 58.851 58.000 -0.944 0.000 1.185 153 F CB -1.509 36.505 39.000 -1.643 0.000 0.961 153 F HN 0.105 nan 8.300 nan 0.000 0.485 154 S N 0.071 115.935 115.700 0.274 0.000 2.393 154 S HA -0.237 4.252 4.470 0.031 0.000 0.234 154 S C 2.305 176.985 174.600 0.132 0.000 1.064 154 S CA 1.724 60.149 58.200 0.376 0.000 1.088 154 S CB -0.828 62.641 63.200 0.448 0.000 0.939 154 S HN 0.155 nan 8.310 nan 0.000 0.448 155 V N 1.815 121.787 119.914 0.096 0.000 2.229 155 V HA -0.195 3.943 4.120 0.031 0.000 0.243 155 V C 2.653 178.682 176.094 -0.108 0.000 1.042 155 V CA 1.702 64.022 62.300 0.033 0.000 1.000 155 V CB -1.457 30.412 31.823 0.076 0.000 0.637 155 V HN 0.572 nan 8.190 nan 0.000 0.446 156 A N 0.279 122.992 122.820 -0.178 0.000 1.954 156 A HA -0.420 3.919 4.320 0.031 0.000 0.222 156 A C 1.982 179.437 177.584 -0.214 0.000 1.199 156 A CA 2.821 54.710 52.037 -0.246 0.000 0.657 156 A CB -0.959 17.799 19.000 -0.404 0.000 0.823 156 A HN 0.700 nan 8.150 nan 0.000 0.463 157 D N -0.629 119.630 120.400 -0.235 0.000 2.077 157 D HA -0.161 4.498 4.640 0.031 0.000 0.193 157 D C 1.619 177.902 176.300 -0.030 0.000 0.989 157 D CA 1.851 55.831 54.000 -0.033 0.000 0.831 157 D CB -0.571 40.259 40.800 0.049 0.000 0.979 157 D HN 0.515 nan 8.370 nan 0.000 0.449 158 N N -0.605 118.076 118.700 -0.032 0.000 2.417 158 N HA -0.112 4.647 4.740 0.031 0.000 0.187 158 N C 1.458 176.929 175.510 -0.065 0.000 1.027 158 N CA 0.990 54.029 53.050 -0.019 0.000 0.891 158 N CB -0.151 38.346 38.487 0.017 0.000 0.956 158 N HN 0.292 nan 8.380 nan 0.000 0.442 159 A N -0.281 122.418 122.820 -0.203 0.000 2.015 159 A HA -0.104 4.234 4.320 0.031 0.000 0.219 159 A C 2.333 179.852 177.584 -0.109 0.000 1.163 159 A CA 1.750 53.602 52.037 -0.309 0.000 0.646 159 A CB -1.175 17.552 19.000 -0.455 0.000 0.806 159 A HN 0.540 nan 8.150 nan 0.000 0.448 160 Y N -1.953 118.292 120.300 -0.091 0.000 2.343 160 Y HA 0.055 4.624 4.550 0.031 0.000 0.294 160 Y C 2.347 178.199 175.900 -0.079 0.000 1.122 160 Y CA 1.453 59.483 58.100 -0.117 0.000 1.173 160 Y CB -0.828 37.549 38.460 -0.138 0.000 1.077 160 Y HN 0.412 nan 8.280 nan 0.000 0.542 161 Q N 1.439 121.215 119.800 -0.040 0.000 2.133 161 Q HA -0.217 4.142 4.340 0.031 0.000 0.208 161 Q C 2.006 178.004 176.000 -0.002 0.000 0.991 161 Q CA 3.156 58.950 55.803 -0.016 0.000 0.867 161 Q CB -0.908 27.834 28.738 0.008 0.000 0.911 161 Q HN 0.842 nan 8.270 nan 0.000 0.417 162 N N -0.524 118.191 118.700 0.026 0.000 2.333 162 N HA -0.033 4.726 4.740 0.031 0.000 0.178 162 N C 1.647 177.192 175.510 0.059 0.000 1.018 162 N CA 1.100 54.198 53.050 0.081 0.000 0.882 162 N CB -0.496 38.118 38.487 0.211 0.000 0.984 162 N HN 0.442 nan 8.380 nan 0.000 0.434 163 M N 0.312 119.918 119.600 0.009 0.000 2.065 163 M HA -0.128 4.371 4.480 0.031 0.000 0.259 163 M C 1.943 178.219 176.300 -0.040 0.000 1.069 163 M CA 1.721 57.010 55.300 -0.018 0.000 1.110 163 M CB -0.224 32.317 32.600 -0.099 0.000 1.328 163 M HN 0.306 nan 8.290 nan 0.000 0.405 164 V N 0.922 120.792 119.914 -0.074 0.000 2.220 164 V HA -0.340 3.798 4.120 0.031 0.000 0.242 164 V C 2.552 178.630 176.094 -0.028 0.000 1.041 164 V CA 2.714 64.977 62.300 -0.062 0.000 0.990 164 V CB -1.556 30.227 31.823 -0.067 0.000 0.634 164 V HN 0.709 nan 8.190 nan 0.000 0.452 165 T N 0.209 114.751 114.554 -0.020 0.000 2.607 165 T HA -0.300 4.069 4.350 0.031 0.000 0.267 165 T C 1.643 176.340 174.700 -0.004 0.000 1.049 165 T CA 1.851 63.945 62.100 -0.010 0.000 1.162 165 T CB -0.699 68.166 68.868 -0.005 0.000 0.863 165 T HN 0.634 nan 8.240 nan 0.000 0.424 166 D N 1.307 121.709 120.400 0.004 0.000 2.312 166 D HA -0.117 4.542 4.640 0.031 0.000 0.211 166 D C 1.198 177.499 176.300 0.002 0.000 0.964 166 D CA 0.380 54.380 54.000 0.001 0.000 0.877 166 D CB -0.534 40.266 40.800 0.000 0.000 0.924 166 D HN 0.368 nan 8.370 nan 0.000 0.515 167 R N -0.314 120.188 120.500 0.003 0.000 3.532 167 R HA -0.200 4.159 4.340 0.031 0.000 0.284 167 R C -0.901 175.405 176.300 0.010 0.000 1.140 167 R CA 1.215 57.317 56.100 0.003 0.000 0.768 167 R CB -1.841 28.461 30.300 0.003 0.000 1.252 167 R HN 0.721 nan 8.270 nan 0.000 0.454 168 E N -1.548 118.662 120.200 0.016 0.000 2.449 168 E HA 0.441 4.809 4.350 0.031 0.000 0.278 168 E C -1.093 175.507 176.600 0.001 0.000 0.992 168 E CA -1.305 55.100 56.400 0.010 0.000 0.807 168 E CB 0.708 30.422 29.700 0.023 0.000 1.350 168 E HN 0.028 nan 8.360 nan 0.000 0.462 169 N N 1.522 120.180 118.700 -0.069 0.000 2.479 169 N HA 0.096 4.854 4.740 0.031 0.000 0.257 169 N C -0.597 174.897 175.510 -0.027 0.000 1.232 169 N CA 0.040 52.981 53.050 -0.181 0.000 0.920 169 N CB 0.540 38.693 38.487 -0.556 0.000 1.105 169 N HN 0.418 nan 8.380 nan 0.000 0.444 170 Q N -0.063 119.759 119.800 0.036 0.000 2.399 170 Q HA 0.540 4.898 4.340 0.031 0.000 0.276 170 Q C -0.422 175.671 176.000 0.155 0.000 1.098 170 Q CA -0.818 55.075 55.803 0.151 0.000 0.827 170 Q CB 1.856 30.730 28.738 0.227 0.000 1.386 170 Q HN 0.684 nan 8.270 nan 0.000 0.443 171 S N -1.229 114.560 115.700 0.148 0.000 2.542 171 S HA 0.602 5.090 4.470 0.031 0.000 0.293 171 S C -0.765 173.875 174.600 0.067 0.000 1.089 171 S CA -0.790 57.486 58.200 0.127 0.000 0.961 171 S CB 1.672 64.886 63.200 0.024 0.000 1.062 171 S HN 0.682 nan 8.310 nan 0.000 0.483 172 C N 4.833 124.158 119.300 0.042 0.000 2.437 172 C HA 0.551 5.030 4.460 0.031 0.000 0.307 172 C C -0.688 174.268 174.990 -0.057 0.000 1.093 172 C CA -0.764 58.242 59.018 -0.021 0.000 1.463 172 C CB -1.655 26.081 27.740 -0.005 0.000 1.926 172 C HN 0.887 nan 8.230 nan 0.000 0.420 173 L N 7.175 128.288 121.223 -0.183 0.000 2.283 173 L HA 0.462 4.820 4.340 0.031 0.000 0.287 173 L C -0.004 176.840 176.870 -0.043 0.000 1.073 173 L CA 0.110 54.866 54.840 -0.140 0.000 0.822 173 L CB 0.372 42.284 42.059 -0.244 0.000 1.186 173 L HN 0.536 nan 8.230 nan 0.000 0.436 174 I N 2.553 123.125 120.570 0.003 0.000 2.330 174 I HA 0.497 4.686 4.170 0.031 0.000 0.289 174 I C 0.004 176.139 176.117 0.030 0.000 1.001 174 I CA -0.117 61.203 61.300 0.033 0.000 1.193 174 I CB 1.274 39.293 38.000 0.031 0.000 1.345 174 I HN 0.508 nan 8.210 nan 0.000 0.461 175 T N 3.343 117.927 114.554 0.051 0.000 2.838 175 T HA 0.916 5.285 4.350 0.031 0.000 0.292 175 T C 0.006 174.718 174.700 0.019 0.000 1.113 175 T CA -0.711 61.409 62.100 0.034 0.000 1.008 175 T CB 2.432 71.333 68.868 0.055 0.000 1.259 175 T HN 0.988 nan 8.240 nan 0.000 0.520 176 G N 0.007 108.802 108.800 -0.008 0.000 2.333 176 G HA2 0.376 4.355 3.960 0.031 0.000 0.288 176 G HA3 0.376 4.355 3.960 0.031 0.000 0.288 176 G C -1.315 173.553 174.900 -0.052 0.000 1.286 176 G CA -0.741 44.337 45.100 -0.037 0.000 0.865 176 G HN 0.629 nan 8.290 nan 0.000 0.506 177 E N -0.489 119.669 120.200 -0.069 0.000 3.655 177 E HA 0.465 4.833 4.350 0.031 0.000 0.280 177 E C 0.102 176.684 176.600 -0.030 0.000 1.425 177 E CA -0.226 56.137 56.400 -0.062 0.000 1.341 177 E CB 0.552 30.206 29.700 -0.077 0.000 1.349 177 E HN 0.336 nan 8.360 nan 0.000 0.775 178 S N -0.929 114.764 115.700 -0.011 0.000 2.489 178 S HA 0.395 4.883 4.470 0.031 0.000 0.277 178 S C 0.559 175.176 174.600 0.028 0.000 1.230 178 S CA 0.457 58.663 58.200 0.010 0.000 1.053 178 S CB 0.246 63.461 63.200 0.025 0.000 0.955 178 S HN 0.729 nan 8.310 nan 0.000 0.488 179 G N 3.190 112.014 108.800 0.040 0.000 2.143 179 G HA2 -0.236 3.742 3.960 0.031 0.000 0.248 179 G HA3 -0.236 3.742 3.960 0.031 0.000 0.248 179 G C 0.803 175.754 174.900 0.085 0.000 0.991 179 G CA 0.336 45.490 45.100 0.091 0.000 0.689 179 G HN 1.186 nan 8.290 nan 0.000 0.522 180 A N -0.835 121.995 122.820 0.016 0.000 1.855 180 A HA 0.575 4.914 4.320 0.031 0.000 0.213 180 A C 2.420 179.980 177.584 -0.040 0.000 1.195 180 A CA 2.420 54.435 52.037 -0.037 0.000 0.610 180 A CB -0.175 18.796 19.000 -0.048 0.000 0.837 180 A HN 2.288 nan 8.150 nan 0.000 0.444 181 G N -1.728 107.065 108.800 -0.011 0.000 3.290 181 G HA2 -0.075 3.904 3.960 0.031 0.000 0.220 181 G HA3 -0.075 3.904 3.960 0.031 0.000 0.220 181 G C 0.796 175.694 174.900 -0.003 0.000 0.940 181 G CA 0.487 45.584 45.100 -0.006 0.000 0.884 181 G HN 0.353 nan 8.290 nan 0.000 0.649 182 K N 0.345 120.741 120.400 -0.007 0.000 2.001 182 K HA -0.105 4.233 4.320 0.031 0.000 0.214 182 K C 2.455 179.053 176.600 -0.004 0.000 1.050 182 K CA 2.129 58.413 56.287 -0.006 0.000 0.934 182 K CB -0.430 32.060 32.500 -0.016 0.000 0.718 182 K HN 0.232 nan 8.250 nan 0.000 0.443 183 T N 1.375 115.922 114.554 -0.011 0.000 2.788 183 T HA -0.097 4.271 4.350 0.031 0.000 0.268 183 T C 1.601 176.305 174.700 0.007 0.000 1.044 183 T CA 1.061 63.155 62.100 -0.011 0.000 1.139 183 T CB -0.098 68.757 68.868 -0.022 0.000 0.867 183 T HN 0.167 nan 8.240 nan 0.000 0.454 184 E N 1.008 121.218 120.200 0.017 0.000 2.418 184 E HA 0.025 4.394 4.350 0.031 0.000 0.197 184 E C 1.814 178.418 176.600 0.007 0.000 1.026 184 E CA 0.392 56.806 56.400 0.022 0.000 0.862 184 E CB -0.098 29.628 29.700 0.044 0.000 0.799 184 E HN 0.533 nan 8.360 nan 0.000 0.518 185 N N -0.665 118.042 118.700 0.012 0.000 2.499 185 N HA -0.024 4.735 4.740 0.031 0.000 0.182 185 N C 1.571 177.089 175.510 0.014 0.000 1.034 185 N CA 0.736 53.798 53.050 0.020 0.000 0.882 185 N CB 0.029 38.552 38.487 0.060 0.000 1.125 185 N HN 0.027 nan 8.380 nan 0.000 0.436 186 T N 2.112 116.672 114.554 0.011 0.000 2.684 186 T HA -0.213 4.156 4.350 0.031 0.000 0.267 186 T C 1.848 176.546 174.700 -0.004 0.000 1.032 186 T CA 1.539 63.641 62.100 0.003 0.000 1.155 186 T CB -0.081 68.786 68.868 -0.002 0.000 0.857 186 T HN 0.263 nan 8.240 nan 0.000 0.457 187 K N 0.566 120.963 120.400 -0.005 0.000 1.975 187 K HA 0.024 4.362 4.320 0.031 0.000 0.210 187 K C 2.475 179.068 176.600 -0.011 0.000 1.041 187 K CA 0.738 57.020 56.287 -0.009 0.000 0.942 187 K CB -0.068 32.428 32.500 -0.006 0.000 0.729 187 K HN -0.039 nan 8.250 nan 0.000 0.439 188 K N 0.879 121.256 120.400 -0.039 0.000 2.259 188 K HA -0.190 4.148 4.320 0.031 0.000 0.206 188 K C 1.982 178.606 176.600 0.040 0.000 1.044 188 K CA 1.087 57.332 56.287 -0.070 0.000 0.931 188 K CB -0.605 31.762 32.500 -0.221 0.000 0.726 188 K HN 0.051 nan 8.250 nan 0.000 0.467 189 V N 1.537 121.473 119.914 0.036 0.000 2.255 189 V HA -0.193 3.945 4.120 0.031 0.000 0.243 189 V C 2.312 178.446 176.094 0.067 0.000 1.038 189 V CA 1.498 63.831 62.300 0.055 0.000 1.008 189 V CB -0.331 31.504 31.823 0.020 0.000 0.645 189 V HN 0.195 nan 8.190 nan 0.000 0.449 190 I N -0.374 120.210 120.570 0.024 0.000 2.361 190 I HA -0.273 3.915 4.170 0.031 0.000 0.251 190 I C 2.537 178.667 176.117 0.022 0.000 1.133 190 I CA 1.406 62.711 61.300 0.008 0.000 1.413 190 I CB -0.553 37.428 38.000 -0.031 0.000 1.073 190 I HN 0.341 nan 8.210 nan 0.000 0.424 191 M N 0.367 119.986 119.600 0.032 0.000 2.213 191 M HA -0.249 4.249 4.480 0.031 0.000 0.263 191 M C 2.272 178.595 176.300 0.038 0.000 1.062 191 M CA 1.986 57.305 55.300 0.031 0.000 1.105 191 M CB -0.574 32.048 32.600 0.036 0.000 1.385 191 M HN 0.248 nan 8.290 nan 0.000 0.417 192 Y N 1.172 121.425 120.300 -0.078 0.000 2.134 192 Y HA -0.160 4.409 4.550 0.032 0.000 0.283 192 Y C 2.102 177.898 175.900 -0.173 0.000 1.108 192 Y CA 1.923 59.891 58.100 -0.219 0.000 1.096 192 Y CB -0.695 37.574 38.460 -0.318 0.000 1.005 192 Y HN 0.180 nan 8.280 nan 0.000 0.487 193 L N 0.701 122.023 121.223 0.165 0.000 2.198 193 L HA -0.371 3.988 4.340 0.031 0.000 0.218 193 L C 2.620 179.462 176.870 -0.047 0.000 1.084 193 L CA 1.372 56.265 54.840 0.087 0.000 0.779 193 L CB -1.487 40.657 42.059 0.142 0.000 0.890 193 L HN 0.417 nan 8.230 nan 0.000 0.439 194 A N 0.036 122.814 122.820 -0.069 0.000 1.933 194 A HA -0.164 4.174 4.320 0.031 0.000 0.218 194 A C 2.072 179.580 177.584 -0.127 0.000 1.175 194 A CA 1.470 53.461 52.037 -0.077 0.000 0.628 194 A CB -0.301 18.664 19.000 -0.059 0.000 0.814 194 A HN 0.221 nan 8.150 nan 0.000 0.444 195 K N -0.153 120.110 120.400 -0.229 0.000 2.589 195 K HA 0.120 4.459 4.320 0.031 0.000 0.204 195 K C 1.007 177.463 176.600 -0.240 0.000 1.029 195 K CA 0.713 56.858 56.287 -0.237 0.000 1.177 195 K CB 0.014 32.343 32.500 -0.284 0.000 0.902 195 K HN 0.475 nan 8.250 nan 0.000 0.501 196 V N -3.958 115.838 119.914 -0.196 0.000 3.528 196 V HA 0.507 4.645 4.120 0.031 0.000 0.294 196 V C 0.289 176.340 176.094 -0.072 0.000 1.404 196 V CA -0.185 62.028 62.300 -0.146 0.000 1.065 196 V CB 0.394 32.127 31.823 -0.150 0.000 0.904 196 V HN -0.014 nan 8.190 nan 0.000 0.435 197 A N 0.722 123.509 122.820 -0.053 0.000 2.343 197 A HA 0.918 5.256 4.320 0.031 0.000 0.316 197 A C -0.353 177.214 177.584 -0.028 0.000 1.104 197 A CA 0.123 52.146 52.037 -0.024 0.000 0.768 197 A CB 1.135 20.137 19.000 0.004 0.000 1.213 197 A HN 1.705 nan 8.150 nan 0.000 0.456 198 C N -0.271 119.017 119.300 -0.021 0.000 3.197 198 C HA 0.859 5.337 4.460 0.031 0.000 0.343 198 C C -0.183 174.798 174.990 -0.015 0.000 1.291 198 C CA -0.199 58.807 59.018 -0.020 0.000 1.191 198 C CB 0.727 28.451 27.740 -0.027 0.000 1.444 198 C HN 2.120 nan 8.230 nan 0.000 0.468 199 A N 0.461 123.273 122.820 -0.013 0.000 2.299 199 A HA 1.019 5.357 4.320 0.031 0.000 0.332 199 A C -0.334 177.244 177.584 -0.011 0.000 1.131 199 A CA -0.079 51.952 52.037 -0.010 0.000 0.844 199 A CB 1.418 20.413 19.000 -0.008 0.000 1.251 199 A HN 2.651 nan 8.150 nan 0.000 0.486 214 S N -0.329 115.364 115.700 -0.011 0.000 2.639 214 S HA 0.140 4.628 4.470 0.031 0.000 0.319 214 S C 0.227 174.815 174.600 -0.020 0.000 0.991 214 S CA -0.306 57.885 58.200 -0.015 0.000 0.858 214 S CB 0.863 64.052 63.200 -0.017 0.000 1.068 214 S HN 0.945 nan 8.310 nan 0.000 0.458 215 L N 1.868 123.077 121.223 -0.023 0.000 2.270 215 L HA -0.134 4.224 4.340 0.031 0.000 0.217 215 L C 1.792 178.639 176.870 -0.038 0.000 1.107 215 L CA 2.196 57.018 54.840 -0.031 0.000 0.772 215 L CB -0.572 41.467 42.059 -0.034 0.000 0.902 215 L HN 0.705 nan 8.230 nan 0.000 0.439 216 E N -0.013 120.166 120.200 -0.034 0.000 2.015 216 E HA -0.203 4.166 4.350 0.031 0.000 0.191 216 E C 1.966 178.544 176.600 -0.036 0.000 0.991 216 E CA 1.522 57.899 56.400 -0.038 0.000 0.802 216 E CB -0.770 28.910 29.700 -0.034 0.000 0.759 216 E HN 0.649 nan 8.360 nan 0.000 0.447 217 D N -0.179 120.205 120.400 -0.028 0.000 2.350 217 D HA -0.140 4.519 4.640 0.031 0.000 0.216 217 D C 1.817 178.102 176.300 -0.024 0.000 0.968 217 D CA 0.673 54.660 54.000 -0.023 0.000 0.894 217 D CB 0.096 40.887 40.800 -0.015 0.000 0.909 217 D HN 0.185 nan 8.370 nan 0.000 0.520 218 Q N -0.433 119.350 119.800 -0.028 0.000 2.089 218 Q HA 0.003 4.361 4.340 0.031 0.000 0.195 218 Q C 2.234 178.207 176.000 -0.045 0.000 0.963 218 Q CA 0.577 56.364 55.803 -0.027 0.000 0.834 218 Q CB -0.065 28.660 28.738 -0.022 0.000 0.906 218 Q HN 0.368 nan 8.270 nan 0.000 0.452 219 I N 0.615 121.152 120.570 -0.055 0.000 2.226 219 I HA -0.278 3.910 4.170 0.031 0.000 0.245 219 I C 1.593 177.670 176.117 -0.067 0.000 1.100 219 I CA 0.714 61.971 61.300 -0.071 0.000 1.374 219 I CB -0.019 37.933 38.000 -0.081 0.000 1.057 219 I HN 0.348 nan 8.210 nan 0.000 0.413 220 I N 0.652 121.191 120.570 -0.052 0.000 2.315 220 I HA -0.302 3.886 4.170 0.031 0.000 0.251 220 I C 2.377 178.465 176.117 -0.048 0.000 1.125 220 I CA 1.470 62.744 61.300 -0.042 0.000 1.392 220 I CB -1.487 36.496 38.000 -0.028 0.000 1.065 220 I HN 0.425 nan 8.210 nan 0.000 0.424 221 Q N 0.336 120.102 119.800 -0.057 0.000 2.245 221 Q HA 0.101 4.459 4.340 0.031 0.000 0.201 221 Q C 2.361 178.289 176.000 -0.119 0.000 0.955 221 Q CA 1.138 56.897 55.803 -0.074 0.000 0.870 221 Q CB -0.501 28.199 28.738 -0.065 0.000 0.945 221 Q HN 0.510 nan 8.270 nan 0.000 0.461 222 A N 1.949 124.696 122.820 -0.123 0.000 2.194 222 A HA -0.230 4.109 4.320 0.031 0.000 0.220 222 A C 1.698 179.190 177.584 -0.154 0.000 1.162 222 A CA 1.381 53.321 52.037 -0.162 0.000 0.674 222 A CB -0.349 18.566 19.000 -0.141 0.000 0.789 222 A HN 0.323 nan 8.150 nan 0.000 0.470 223 N N -0.005 118.634 118.700 -0.101 0.000 2.124 223 N HA -0.049 4.709 4.740 0.031 0.000 0.189 223 N C -0.786 174.679 175.510 -0.075 0.000 1.050 223 N CA 1.183 54.198 53.050 -0.059 0.000 0.848 223 N CB -1.930 36.544 38.487 -0.022 0.000 1.027 223 N HN 0.168 nan 8.380 nan 0.000 0.435 224 P HA -0.150 nan 4.420 nan 0.000 0.219 224 P C 1.694 178.923 177.300 -0.119 0.000 1.151 224 P CA 0.919 63.983 63.100 -0.060 0.000 0.850 224 P CB 0.099 31.770 31.700 -0.048 0.000 0.784 225 V N -0.983 118.784 119.914 -0.245 0.000 2.229 225 V HA -0.230 3.908 4.120 0.031 0.000 0.243 225 V C 2.396 178.364 176.094 -0.209 0.000 1.042 225 V CA 1.853 63.914 62.300 -0.398 0.000 1.000 225 V CB -1.298 30.133 31.823 -0.654 0.000 0.637 225 V HN 0.047 nan 8.190 nan 0.000 0.446 226 L N -0.499 120.584 121.223 -0.234 0.000 2.141 226 L HA -0.138 4.220 4.340 0.031 0.000 0.209 226 L C 2.495 179.348 176.870 -0.027 0.000 1.094 226 L CA 1.439 56.149 54.840 -0.218 0.000 0.763 226 L CB -0.588 41.288 42.059 -0.304 0.000 0.908 226 L HN 0.380 nan 8.230 nan 0.000 0.437 227 E N 0.118 120.323 120.200 0.008 0.000 2.152 227 E HA -0.153 4.216 4.350 0.031 0.000 0.192 227 E C 2.236 178.832 176.600 -0.006 0.000 0.983 227 E CA 0.846 57.276 56.400 0.049 0.000 0.818 227 E CB 0.016 29.734 29.700 0.030 0.000 0.758 227 E HN 0.503 nan 8.360 nan 0.000 0.467 228 A N 0.782 123.615 122.820 0.022 0.000 1.824 228 A HA -0.200 4.139 4.320 0.031 0.000 0.215 228 A C 1.871 179.517 177.584 0.103 0.000 1.209 228 A CA 1.320 53.384 52.037 0.046 0.000 0.614 228 A CB -1.161 17.850 19.000 0.020 0.000 0.852 228 A HN 0.261 nan 8.150 nan 0.000 0.447 229 Y N 0.270 120.599 120.300 0.048 0.000 2.151 229 Y HA -0.155 4.414 4.550 0.031 0.000 0.284 229 Y C 2.755 178.674 175.900 0.031 0.000 1.166 229 Y CA 1.504 59.673 58.100 0.116 0.000 1.163 229 Y CB -0.627 37.865 38.460 0.054 0.000 0.974 229 Y HN 0.380 nan 8.280 nan 0.000 0.511 230 G N -0.730 108.182 108.800 0.187 0.000 2.439 230 G HA2 -0.131 3.848 3.960 0.031 0.000 0.212 230 G HA3 -0.131 3.848 3.960 0.031 0.000 0.212 230 G C 0.689 175.696 174.900 0.178 0.000 1.199 230 G CA 0.248 45.276 45.100 -0.121 0.000 0.807 230 G HN 0.219 nan 8.290 nan 0.000 0.537 231 N N 0.886 119.726 118.700 0.233 0.000 2.229 231 N HA 0.505 5.263 4.740 0.031 0.000 0.242 231 N C -0.017 175.593 175.510 0.166 0.000 1.327 231 N CA 0.907 54.040 53.050 0.138 0.000 0.896 231 N CB 0.453 38.855 38.487 -0.142 0.000 1.129 231 N HN 0.573 nan 8.380 nan 0.000 0.490 232 A N -0.905 121.974 122.820 0.098 0.000 2.569 232 A HA 0.445 4.783 4.320 0.031 0.000 0.292 232 A C -1.324 176.376 177.584 0.193 0.000 1.032 232 A CA -0.870 51.304 52.037 0.229 0.000 0.669 232 A CB 0.604 19.577 19.000 -0.046 0.000 1.290 232 A HN 0.590 nan 8.150 nan 0.000 0.422 233 K N 0.861 121.302 120.400 0.069 0.000 2.339 233 K HA 0.597 4.936 4.320 0.031 0.000 0.286 233 K C -0.439 176.110 176.600 -0.084 0.000 1.050 233 K CA 0.714 56.977 56.287 -0.039 0.000 0.956 233 K CB 0.721 33.120 32.500 -0.169 0.000 0.990 233 K HN 0.575 nan 8.250 nan 0.000 0.475 234 T N 3.111 117.633 114.554 -0.054 0.000 2.885 234 T HA 0.142 4.511 4.350 0.031 0.000 0.285 234 T C 1.002 175.670 174.700 -0.053 0.000 1.019 234 T CA -0.222 61.840 62.100 -0.063 0.000 1.010 234 T CB 1.516 70.361 68.868 -0.037 0.000 1.022 234 T HN 0.818 nan 8.240 nan 0.000 0.466 235 T N 1.448 115.970 114.554 -0.055 0.000 2.684 235 T HA -0.289 4.080 4.350 0.031 0.000 0.267 235 T C 1.922 176.609 174.700 -0.022 0.000 1.032 235 T CA 1.471 63.548 62.100 -0.038 0.000 1.155 235 T CB -0.167 68.686 68.868 -0.025 0.000 0.857 235 T HN 0.436 nan 8.240 nan 0.000 0.457 236 R N 2.545 123.040 120.500 -0.008 0.000 2.078 236 R HA 0.156 4.514 4.340 0.031 0.000 0.224 236 R C 0.611 176.911 176.300 0.001 0.000 1.149 236 R CA 1.383 57.488 56.100 0.009 0.000 0.916 236 R CB -0.523 29.793 30.300 0.027 0.000 0.821 236 R HN 0.493 nan 8.270 nan 0.000 0.434 237 N N -0.077 118.625 118.700 0.003 0.000 2.354 237 N HA 0.156 4.915 4.740 0.031 0.000 0.287 237 N C -0.795 174.712 175.510 -0.004 0.000 1.016 237 N CA -0.490 52.560 53.050 0.000 0.000 0.871 237 N CB 1.101 39.609 38.487 0.035 0.000 1.299 237 N HN 0.157 nan 8.380 nan 0.000 0.482 238 N N 1.846 120.535 118.700 -0.018 0.000 2.635 238 N HA -0.121 4.638 4.740 0.031 0.000 0.191 238 N C -0.058 175.504 175.510 0.087 0.000 1.155 238 N CA 0.617 53.663 53.050 -0.007 0.000 0.927 238 N CB -0.042 38.422 38.487 -0.038 0.000 0.976 238 N HN 0.517 nan 8.380 nan 0.000 0.448 239 N N -0.186 118.566 118.700 0.088 0.000 2.305 239 N HA -0.002 4.756 4.740 0.031 0.000 0.248 239 N C -0.972 174.570 175.510 0.053 0.000 1.290 239 N CA -0.099 53.019 53.050 0.114 0.000 0.873 239 N CB 0.241 38.790 38.487 0.104 0.000 1.261 239 N HN -0.124 nan 8.380 nan 0.000 0.504 240 S N 0.166 115.891 115.700 0.043 0.000 2.575 240 S HA 0.093 4.581 4.470 0.031 0.000 0.295 240 S C 0.612 175.225 174.600 0.022 0.000 1.267 240 S CA -0.031 58.181 58.200 0.019 0.000 1.074 240 S CB 0.115 63.321 63.200 0.009 0.000 0.829 240 S HN 0.330 nan 8.310 nan 0.000 0.497 241 S N 4.740 120.425 115.700 -0.025 0.000 2.650 241 S HA 0.329 4.817 4.470 0.031 0.000 0.251 241 S C 0.959 175.562 174.600 0.005 0.000 1.325 241 S CA -0.578 57.582 58.200 -0.067 0.000 0.967 241 S CB 0.126 63.123 63.200 -0.338 0.000 1.000 241 S HN 0.819 nan 8.310 nan 0.000 0.584 242 R N -0.668 119.852 120.500 0.034 0.000 2.395 242 R HA 0.181 4.539 4.340 0.031 0.000 0.280 242 R C -1.267 175.106 176.300 0.122 0.000 0.742 242 R CA 0.047 56.212 56.100 0.108 0.000 0.969 242 R CB -0.160 30.286 30.300 0.244 0.000 1.679 242 R HN 0.614 nan 8.270 nan 0.000 0.480 243 F N -1.685 118.235 119.950 -0.049 0.000 2.613 243 F HA 0.823 5.369 4.527 0.032 0.000 0.310 243 F C 0.066 175.909 175.800 0.072 0.000 1.085 243 F CA -1.797 56.183 58.000 -0.033 0.000 0.945 243 F CB 0.888 39.830 39.000 -0.098 0.000 1.298 243 F HN -0.110 nan 8.300 nan 0.000 0.455 244 G N 2.193 111.080 108.800 0.145 0.000 2.325 244 G HA2 0.471 4.449 3.960 0.031 0.000 0.298 244 G HA3 0.471 4.449 3.960 0.031 0.000 0.298 244 G C -1.392 173.700 174.900 0.321 0.000 1.134 244 G CA -0.755 44.489 45.100 0.240 0.000 0.876 244 G HN 0.819 nan 8.290 nan 0.000 0.452 245 K N 1.421 121.925 120.400 0.173 0.000 2.203 245 K HA 0.600 4.939 4.320 0.031 0.000 0.251 245 K C -1.856 174.973 176.600 0.380 0.000 0.944 245 K CA -0.899 55.524 56.287 0.227 0.000 0.829 245 K CB 1.595 34.179 32.500 0.140 0.000 1.125 245 K HN 0.310 nan 8.250 nan 0.000 0.430 246 F N 5.714 125.752 119.950 0.147 0.000 3.090 246 F HA 0.339 4.885 4.527 0.031 0.000 0.381 246 F C -1.298 174.484 175.800 -0.031 0.000 1.231 246 F CA -0.763 57.299 58.000 0.103 0.000 1.177 246 F CB 0.488 39.639 39.000 0.251 0.000 1.598 246 F HN 0.417 nan 8.300 nan 0.000 0.589 247 I N 6.214 126.485 120.570 -0.498 0.000 2.395 247 I HA 0.444 4.633 4.170 0.031 0.000 0.289 247 I C -0.506 175.120 176.117 -0.819 0.000 1.023 247 I CA -0.377 60.618 61.300 -0.508 0.000 1.350 247 I CB 0.404 38.228 38.000 -0.294 0.000 1.409 247 I HN 0.550 nan 8.210 nan 0.000 0.507 248 R N 7.714 127.766 120.500 -0.747 0.000 2.532 248 R HA 0.600 4.959 4.340 0.031 0.000 0.295 248 R C -1.075 174.830 176.300 -0.657 0.000 0.968 248 R CA -0.759 54.815 56.100 -0.877 0.000 0.916 248 R CB 1.918 31.610 30.300 -1.013 0.000 1.124 248 R HN 0.610 nan 8.270 nan 0.000 0.463 249 I N 4.045 124.250 120.570 -0.610 0.000 2.495 249 I HA 0.214 4.403 4.170 0.031 0.000 0.277 249 I C 0.143 175.823 176.117 -0.728 0.000 1.045 249 I CA -0.533 60.441 61.300 -0.544 0.000 1.135 249 I CB 0.720 38.492 38.000 -0.379 0.000 1.241 249 I HN 0.480 nan 8.210 nan 0.000 0.469 250 H N 5.278 124.068 119.070 -0.468 0.000 2.534 250 H HA 0.541 5.116 4.556 0.031 0.000 0.364 250 H C -0.844 173.961 175.328 -0.872 0.000 1.328 250 H CA 0.208 56.020 56.048 -0.393 0.000 1.415 250 H CB 1.187 30.884 29.762 -0.108 0.000 1.573 250 H HN 0.244 nan 8.280 nan 0.000 0.601 251 F N -2.111 117.957 119.950 0.197 0.000 2.715 251 F HA 0.430 4.975 4.527 0.031 0.000 0.318 251 F C 0.736 176.580 175.800 0.074 0.000 1.141 251 F CA -1.045 57.013 58.000 0.097 0.000 0.950 251 F CB 0.782 39.821 39.000 0.065 0.000 1.374 251 F HN 0.564 nan 8.300 nan 0.000 0.477 252 G N 0.136 109.104 108.800 0.279 0.000 2.504 252 G HA2 0.489 4.467 3.960 0.031 0.000 0.288 252 G HA3 0.489 4.467 3.960 0.031 0.000 0.288 252 G C -2.060 172.914 174.900 0.124 0.000 1.182 252 G CA -1.362 43.827 45.100 0.148 0.000 0.894 252 G HN 0.400 nan 8.290 nan 0.000 0.521 253 P HA -0.028 nan 4.420 nan 0.000 0.217 253 P C 0.797 178.120 177.300 0.039 0.000 1.148 253 P CA 1.319 64.451 63.100 0.055 0.000 0.828 253 P CB 0.370 32.091 31.700 0.035 0.000 0.783 254 T N -1.852 112.726 114.554 0.041 0.000 3.077 254 T HA 0.603 4.972 4.350 0.031 0.000 0.359 254 T C 0.021 174.737 174.700 0.027 0.000 1.108 254 T CA 0.091 62.203 62.100 0.021 0.000 1.170 254 T CB -0.027 68.848 68.868 0.011 0.000 1.045 254 T HN 0.252 nan 8.240 nan 0.000 0.505 255 G N 2.467 111.281 108.800 0.025 0.000 2.060 255 G HA2 0.441 4.420 3.960 0.031 0.000 0.060 255 G HA3 0.441 4.420 3.960 0.031 0.000 0.060 255 G C -0.195 174.738 174.900 0.055 0.000 0.724 255 G CA 0.375 45.492 45.100 0.029 0.000 1.129 255 G HN 0.904 nan 8.290 nan 0.000 0.374 256 K N -0.245 120.219 120.400 0.107 0.000 2.400 256 K HA 0.859 5.197 4.320 0.031 0.000 0.249 256 K C 0.554 177.335 176.600 0.302 0.000 1.069 256 K CA -0.016 56.372 56.287 0.167 0.000 0.965 256 K CB -0.219 32.327 32.500 0.076 0.000 1.365 256 K HN 1.308 nan 8.250 nan 0.000 0.539 257 I N -1.428 119.273 120.570 0.219 0.000 2.993 257 I HA 0.420 4.609 4.170 0.031 0.000 0.286 257 I C 1.301 177.424 176.117 0.010 0.000 1.215 257 I CA -0.200 61.101 61.300 0.001 0.000 1.393 257 I CB -0.254 37.643 38.000 -0.171 0.000 1.371 257 I HN 0.706 nan 8.210 nan 0.000 0.602 258 A N 1.856 124.649 122.820 -0.045 0.000 2.055 258 A HA 0.739 5.078 4.320 0.031 0.000 0.205 258 A C 1.067 178.623 177.584 -0.047 0.000 1.235 258 A CA 0.790 52.823 52.037 -0.007 0.000 0.822 258 A CB -0.300 18.720 19.000 0.032 0.000 0.903 258 A HN 1.179 nan 8.150 nan 0.000 0.473 259 G N -2.337 106.415 108.800 -0.080 0.000 2.435 259 G HA2 0.672 4.650 3.960 0.031 0.000 0.296 259 G HA3 0.672 4.650 3.960 0.031 0.000 0.296 259 G C -1.051 173.794 174.900 -0.091 0.000 1.240 259 G CA 0.213 45.272 45.100 -0.069 0.000 0.872 259 G HN 1.511 nan 8.290 nan 0.000 0.480 260 A N -1.029 121.763 122.820 -0.047 0.000 2.483 260 A HA 0.825 5.163 4.320 0.031 0.000 0.294 260 A C -1.780 175.747 177.584 -0.096 0.000 1.077 260 A CA 0.551 52.515 52.037 -0.122 0.000 0.633 260 A CB 1.518 20.398 19.000 -0.200 0.000 1.318 260 A HN 2.144 nan 8.150 nan 0.000 0.455 261 D N -1.527 118.764 120.400 -0.181 0.000 2.671 261 D HA 0.628 5.286 4.640 0.031 0.000 0.273 261 D C -1.320 174.852 176.300 -0.212 0.000 1.264 261 D CA -0.408 53.497 54.000 -0.159 0.000 0.788 261 D CB 0.784 41.525 40.800 -0.098 0.000 1.324 261 D HN 0.644 nan 8.370 nan 0.000 0.424 262 I N 0.019 120.481 120.570 -0.181 0.000 2.569 262 I HA 0.380 4.568 4.170 0.031 0.000 0.290 262 I C -1.116 174.906 176.117 -0.157 0.000 1.088 262 I CA -0.713 60.479 61.300 -0.180 0.000 1.047 262 I CB 2.193 40.091 38.000 -0.170 0.000 1.237 262 I HN 0.486 nan 8.210 nan 0.000 0.421 263 E N 4.998 125.113 120.200 -0.142 0.000 2.185 263 E HA 0.429 4.797 4.350 0.031 0.000 0.261 263 E C -0.789 175.506 176.600 -0.507 0.000 0.879 263 E CA -0.504 55.761 56.400 -0.224 0.000 0.756 263 E CB 1.613 31.256 29.700 -0.095 0.000 1.152 263 E HN 0.684 nan 8.360 nan 0.000 0.416 264 T N 0.901 115.185 114.554 -0.450 0.000 2.927 264 T HA 0.503 4.872 4.350 0.031 0.000 0.281 264 T C -0.685 173.636 174.700 -0.632 0.000 0.998 264 T CA -0.478 61.405 62.100 -0.362 0.000 1.019 264 T CB 0.658 69.623 68.868 0.160 0.000 1.061 264 T HN 0.345 nan 8.240 nan 0.000 0.518 265 Y N 0.749 121.177 120.300 0.214 0.000 2.354 265 Y HA 0.491 5.060 4.550 0.032 0.000 0.330 265 Y C 0.242 176.165 175.900 0.039 0.000 1.011 265 Y CA -1.865 56.303 58.100 0.112 0.000 1.099 265 Y CB 1.274 39.803 38.460 0.116 0.000 1.179 265 Y HN 0.735 nan 8.280 nan 0.000 0.442 266 L N 2.535 123.807 121.223 0.080 0.000 3.677 266 L HA -0.265 4.094 4.340 0.031 0.000 0.464 266 L C -0.110 176.748 176.870 -0.021 0.000 1.278 266 L CA -0.031 54.785 54.840 -0.039 0.000 0.806 266 L CB -1.220 40.741 42.059 -0.162 0.000 1.610 266 L HN 0.616 nan 8.230 nan 0.000 0.867 267 L N 1.208 122.420 121.223 -0.018 0.000 2.558 267 L HA -0.021 4.337 4.340 0.031 0.000 0.301 267 L C 1.162 177.995 176.870 -0.062 0.000 1.267 267 L CA 0.898 55.691 54.840 -0.079 0.000 0.854 267 L CB 0.339 42.211 42.059 -0.313 0.000 1.103 267 L HN 0.325 nan 8.230 nan 0.000 0.522 268 E N 2.762 122.957 120.200 -0.009 0.000 2.180 268 E HA 0.071 4.439 4.350 0.031 0.000 0.283 268 E C 0.369 176.973 176.600 0.007 0.000 1.061 268 E CA -0.016 56.372 56.400 -0.019 0.000 0.861 268 E CB 0.696 30.392 29.700 -0.007 0.000 1.056 268 E HN 0.594 nan 8.360 nan 0.000 0.407 269 K N 1.930 122.299 120.400 -0.053 0.000 2.137 269 K HA -0.077 4.262 4.320 0.031 0.000 0.202 269 K C 2.040 178.600 176.600 -0.066 0.000 1.052 269 K CA 0.771 57.036 56.287 -0.035 0.000 0.961 269 K CB -0.008 32.463 32.500 -0.049 0.000 0.741 269 K HN 0.422 nan 8.250 nan 0.000 0.452 270 S N 1.445 117.084 115.700 -0.101 0.000 2.393 270 S HA -0.274 4.215 4.470 0.031 0.000 0.234 270 S C 1.974 176.476 174.600 -0.163 0.000 1.064 270 S CA 1.456 59.587 58.200 -0.116 0.000 1.088 270 S CB -0.166 62.965 63.200 -0.116 0.000 0.939 270 S HN 0.220 nan 8.310 nan 0.000 0.448 271 R N 0.151 120.517 120.500 -0.223 0.000 2.143 271 R HA -0.136 4.222 4.340 0.031 0.000 0.239 271 R C 2.264 178.328 176.300 -0.393 0.000 1.126 271 R CA 1.829 57.697 56.100 -0.386 0.000 0.927 271 R CB -1.498 28.417 30.300 -0.642 0.000 0.860 271 R HN 0.445 nan 8.270 nan 0.000 0.433 272 V N 0.569 120.280 119.914 -0.338 0.000 2.295 272 V HA -0.379 3.760 4.120 0.031 0.000 0.262 272 V C 2.521 178.374 176.094 -0.403 0.000 1.098 272 V CA 2.685 64.777 62.300 -0.346 0.000 1.095 272 V CB -0.862 30.836 31.823 -0.208 0.000 0.704 272 V HN 0.717 nan 8.190 nan 0.000 0.454 273 T N -4.908 109.389 114.554 -0.429 0.000 3.034 273 T HA 0.075 4.443 4.350 0.031 0.000 0.248 273 T C 0.318 174.808 174.700 -0.350 0.000 1.040 273 T CA 0.253 61.940 62.100 -0.688 0.000 1.107 273 T CB 0.123 68.507 68.868 -0.806 0.000 0.932 273 T HN 0.351 nan 8.240 nan 0.000 0.474 274 Y N 2.049 122.143 120.300 -0.344 0.000 2.393 274 Y HA 0.699 5.268 4.550 0.031 0.000 0.341 274 Y C -1.523 174.249 175.900 -0.214 0.000 0.988 274 Y CA -2.221 55.733 58.100 -0.243 0.000 1.078 274 Y CB 1.839 40.181 38.460 -0.196 0.000 1.203 274 Y HN 0.008 nan 8.280 nan 0.000 0.453 275 Q N 4.586 124.163 119.800 -0.372 0.000 2.357 275 Q HA 0.327 4.685 4.340 0.031 0.000 0.266 275 Q C -0.828 174.717 176.000 -0.758 0.000 1.021 275 Q CA -0.707 54.758 55.803 -0.562 0.000 0.784 275 Q CB 1.608 30.216 28.738 -0.217 0.000 1.243 275 Q HN 0.547 nan 8.270 nan 0.000 0.465 276 Q N 1.049 120.254 119.800 -0.991 0.000 2.304 276 Q HA -0.029 4.329 4.340 0.031 0.000 0.315 276 Q C 0.184 176.076 176.000 -0.181 0.000 1.075 276 Q CA 0.297 55.779 55.803 -0.536 0.000 0.988 276 Q CB 0.708 29.234 28.738 -0.353 0.000 1.146 276 Q HN 0.721 nan 8.270 nan 0.000 0.383 277 S N 1.929 117.625 115.700 -0.006 0.000 2.558 277 S HA 0.004 4.493 4.470 0.031 0.000 0.297 277 S C 0.839 175.416 174.600 -0.039 0.000 1.283 277 S CA 0.788 58.989 58.200 0.002 0.000 1.044 277 S CB 0.099 63.316 63.200 0.028 0.000 0.789 277 S HN 0.917 nan 8.310 nan 0.000 0.500 278 A N 1.823 124.625 122.820 -0.031 0.000 2.829 278 A HA -0.214 4.124 4.320 0.031 0.000 0.267 278 A C 0.308 177.848 177.584 -0.074 0.000 1.370 278 A CA 1.865 53.877 52.037 -0.042 0.000 0.900 278 A CB -2.220 16.761 19.000 -0.032 0.000 1.044 278 A HN 0.938 nan 8.150 nan 0.000 0.691 279 E N -1.272 118.866 120.200 -0.104 0.000 2.416 279 E HA 0.751 5.120 4.350 0.031 0.000 0.273 279 E C 0.012 176.503 176.600 -0.182 0.000 0.935 279 E CA -0.644 55.663 56.400 -0.155 0.000 0.784 279 E CB 1.167 30.754 29.700 -0.188 0.000 1.301 279 E HN 0.642 nan 8.360 nan 0.000 0.454 280 R N 1.091 121.441 120.500 -0.250 0.000 2.922 280 R HA 0.514 4.872 4.340 0.031 0.000 0.256 280 R C -0.119 175.973 176.300 -0.346 0.000 1.138 280 R CA -1.000 54.925 56.100 -0.291 0.000 0.995 280 R CB 0.390 30.351 30.300 -0.565 0.000 1.226 280 R HN 0.340 nan 8.270 nan 0.000 0.481 281 N N -0.164 118.381 118.700 -0.259 0.000 2.322 281 N HA 0.091 4.849 4.740 0.031 0.000 0.270 281 N C -0.715 174.622 175.510 -0.287 0.000 1.286 281 N CA -0.193 52.660 53.050 -0.329 0.000 0.948 281 N CB 0.219 38.615 38.487 -0.152 0.000 1.164 281 N HN 0.390 nan 8.380 nan 0.000 0.551 282 Y N 1.382 121.725 120.300 0.072 0.000 2.721 282 Y HA -0.096 4.473 4.550 0.031 0.000 0.329 282 Y C 1.758 177.825 175.900 0.278 0.000 1.211 282 Y CA -0.036 58.184 58.100 0.200 0.000 1.512 282 Y CB 0.161 38.790 38.460 0.282 0.000 1.249 282 Y HN 0.595 nan 8.280 nan 0.000 0.549 283 H N 2.130 121.279 119.070 0.131 0.000 2.312 283 H HA -0.322 4.252 4.556 0.031 0.000 0.285 283 H C 1.807 177.185 175.328 0.083 0.000 1.120 283 H CA 2.537 58.622 56.048 0.062 0.000 1.179 283 H CB -0.656 29.141 29.762 0.059 0.000 1.349 283 H HN 0.762 nan 8.280 nan 0.000 0.473 284 I N -1.252 119.408 120.570 0.149 0.000 2.065 284 I HA -0.287 3.902 4.170 0.031 0.000 0.236 284 I C 2.105 178.143 176.117 -0.131 0.000 1.028 284 I CA 1.648 62.852 61.300 -0.160 0.000 1.299 284 I CB -1.474 36.175 38.000 -0.586 0.000 1.015 284 I HN 0.023 nan 8.210 nan 0.000 0.396 285 F N 0.258 120.193 119.950 -0.026 0.000 2.053 285 F HA -0.340 4.206 4.527 0.031 0.000 0.295 285 F C 2.578 178.352 175.800 -0.043 0.000 1.102 285 F CA 2.492 60.479 58.000 -0.022 0.000 1.225 285 F CB -1.171 37.900 39.000 0.119 0.000 0.961 285 F HN 0.049 nan 8.300 nan 0.000 0.495 286 Y N 0.017 120.360 120.300 0.072 0.000 2.333 286 Y HA -0.224 4.345 4.550 0.031 0.000 0.290 286 Y C 2.495 178.334 175.900 -0.101 0.000 1.144 286 Y CA 1.424 59.509 58.100 -0.024 0.000 1.228 286 Y CB -1.258 37.184 38.460 -0.031 0.000 0.985 286 Y HN 0.352 nan 8.280 nan 0.000 0.542 287 Q N -0.507 119.285 119.800 -0.013 0.000 2.444 287 Q HA 0.008 4.367 4.340 0.031 0.000 0.206 287 Q C 1.635 177.333 176.000 -0.503 0.000 0.948 287 Q CA 0.680 56.392 55.803 -0.151 0.000 0.946 287 Q CB -0.269 28.414 28.738 -0.091 0.000 1.027 287 Q HN 0.519 nan 8.270 nan 0.000 0.513 288 I N 0.334 120.622 120.570 -0.470 0.000 2.876 288 I HA -0.075 4.113 4.170 0.031 0.000 0.264 288 I C 0.516 176.473 176.117 -0.267 0.000 1.204 288 I CA 0.246 61.220 61.300 -0.544 0.000 1.485 288 I CB 0.416 38.146 38.000 -0.450 0.000 1.103 288 I HN 0.340 nan 8.210 nan 0.000 0.446 289 C N 0.316 119.517 119.300 -0.166 0.000 2.469 289 C HA 0.220 4.699 4.460 0.031 0.000 0.298 289 C C 1.971 176.967 174.990 0.010 0.000 1.436 289 C CA -0.291 58.696 59.018 -0.052 0.000 1.783 289 C CB -1.583 26.126 27.740 -0.052 0.000 2.726 289 C HN 0.502 nan 8.230 nan 0.000 0.541 290 S N -0.441 115.278 115.700 0.031 0.000 2.512 290 S HA 0.095 4.583 4.470 0.031 0.000 0.216 290 S C 0.621 175.290 174.600 0.115 0.000 1.006 290 S CA 0.164 58.415 58.200 0.084 0.000 0.915 290 S CB -0.372 62.895 63.200 0.113 0.000 0.824 290 S HN 0.658 nan 8.310 nan 0.000 0.497 291 N N 0.549 119.331 118.700 0.135 0.000 2.771 291 N HA -0.170 4.588 4.740 0.031 0.000 0.249 291 N C 0.633 176.232 175.510 0.148 0.000 1.069 291 N CA 0.577 53.708 53.050 0.135 0.000 0.688 291 N CB -1.254 37.287 38.487 0.091 0.000 0.928 291 N HN 0.636 nan 8.380 nan 0.000 0.551 292 A N 0.631 123.585 122.820 0.224 0.000 1.903 292 A HA 0.165 4.504 4.320 0.031 0.000 0.213 292 A C 1.251 178.872 177.584 0.062 0.000 1.185 292 A CA 1.144 53.265 52.037 0.141 0.000 0.628 292 A CB 0.156 19.245 19.000 0.148 0.000 0.830 292 A HN 0.561 nan 8.150 nan 0.000 0.446 293 I N -3.906 116.720 120.570 0.094 0.000 2.563 293 I HA 0.428 4.617 4.170 0.031 0.000 0.276 293 I C -2.707 173.465 176.117 0.092 0.000 1.074 293 I CA -2.345 58.980 61.300 0.042 0.000 1.124 293 I CB 2.013 39.998 38.000 -0.025 0.000 1.225 293 I HN -0.144 nan 8.210 nan 0.000 0.482 294 P HA -0.006 nan 4.420 nan 0.000 0.230 294 P C 1.578 178.910 177.300 0.054 0.000 1.158 294 P CA 1.434 64.576 63.100 0.071 0.000 0.769 294 P CB 0.253 31.985 31.700 0.054 0.000 0.807 295 E N 0.712 120.932 120.200 0.034 0.000 2.160 295 E HA -0.163 4.205 4.350 0.031 0.000 0.195 295 E C 1.901 178.517 176.600 0.028 0.000 0.991 295 E CA 1.192 57.604 56.400 0.019 0.000 0.810 295 E CB -1.563 28.135 29.700 -0.003 0.000 0.742 295 E HN 0.262 nan 8.360 nan 0.000 0.466 296 L N 0.410 121.658 121.223 0.042 0.000 2.418 296 L HA -0.057 4.302 4.340 0.031 0.000 0.218 296 L C 2.189 179.109 176.870 0.083 0.000 1.125 296 L CA 0.432 55.302 54.840 0.051 0.000 0.835 296 L CB -0.380 41.717 42.059 0.063 0.000 0.953 296 L HN 0.322 nan 8.230 nan 0.000 0.454 297 N N 0.727 119.481 118.700 0.090 0.000 2.069 297 N HA -0.264 4.495 4.740 0.031 0.000 0.196 297 N C 1.285 176.852 175.510 0.095 0.000 1.024 297 N CA 1.850 54.957 53.050 0.095 0.000 0.869 297 N CB -0.258 38.278 38.487 0.083 0.000 1.035 297 N HN 0.434 nan 8.380 nan 0.000 0.434 298 D N 0.357 120.802 120.400 0.076 0.000 2.269 298 D HA -0.062 4.597 4.640 0.031 0.000 0.208 298 D C 1.811 178.169 176.300 0.097 0.000 0.963 298 D CA 0.328 54.373 54.000 0.074 0.000 0.864 298 D CB 0.187 41.017 40.800 0.050 0.000 0.936 298 D HN 0.033 nan 8.370 nan 0.000 0.505 299 V N 1.004 120.968 119.914 0.084 0.000 2.667 299 V HA -0.133 4.006 4.120 0.031 0.000 0.252 299 V C 1.972 178.141 176.094 0.124 0.000 1.065 299 V CA 1.002 63.355 62.300 0.087 0.000 1.083 299 V CB -0.142 31.693 31.823 0.020 0.000 0.692 299 V HN 0.128 nan 8.190 nan 0.000 0.468 300 M N -0.928 118.749 119.600 0.128 0.000 2.510 300 M HA 0.246 4.744 4.480 0.031 0.000 0.256 300 M C 1.045 177.485 176.300 0.233 0.000 1.132 300 M CA 0.425 55.817 55.300 0.153 0.000 1.105 300 M CB -0.081 32.585 32.600 0.110 0.000 1.375 300 M HN 0.243 nan 8.290 nan 0.000 0.477 301 L N 1.332 122.677 121.223 0.203 0.000 3.717 301 L HA -0.160 4.199 4.340 0.031 0.000 0.414 301 L C -0.221 176.839 176.870 0.316 0.000 1.228 301 L CA -0.054 54.911 54.840 0.208 0.000 0.918 301 L CB -2.276 39.906 42.059 0.206 0.000 1.865 301 L HN 0.312 nan 8.230 nan 0.000 0.922 302 V N -3.325 116.740 119.914 0.252 0.000 2.588 302 V HA 0.690 4.828 4.120 0.031 0.000 0.304 302 V C 0.598 176.825 176.094 0.221 0.000 1.042 302 V CA -0.167 62.312 62.300 0.297 0.000 0.877 302 V CB 1.838 33.768 31.823 0.178 0.000 0.996 302 V HN 0.203 nan 8.190 nan 0.000 0.425 303 T N 4.563 119.264 114.554 0.244 0.000 2.779 303 T HA 0.369 4.738 4.350 0.031 0.000 0.296 303 T C -1.806 173.020 174.700 0.210 0.000 0.938 303 T CA -1.153 61.036 62.100 0.149 0.000 1.119 303 T CB 0.933 69.840 68.868 0.064 0.000 0.891 303 T HN 0.785 nan 8.240 nan 0.000 0.526 304 P HA 0.082 nan 4.420 nan 0.000 0.286 304 P C -0.552 176.814 177.300 0.110 0.000 1.577 304 P CA 0.082 63.250 63.100 0.114 0.000 0.805 304 P CB -0.475 31.277 31.700 0.086 0.000 1.706 305 D N -0.605 119.887 120.400 0.153 0.000 2.414 305 D HA 0.169 4.828 4.640 0.031 0.000 0.232 305 D C 1.351 177.754 176.300 0.171 0.000 1.070 305 D CA -0.623 53.442 54.000 0.108 0.000 0.839 305 D CB 1.368 42.201 40.800 0.056 0.000 1.079 305 D HN -0.183 nan 8.370 nan 0.000 0.521 306 S N 2.574 118.319 115.700 0.074 0.000 2.374 306 S HA -0.175 4.314 4.470 0.031 0.000 0.227 306 S C 2.073 176.677 174.600 0.006 0.000 1.037 306 S CA 0.831 59.012 58.200 -0.031 0.000 1.024 306 S CB -1.139 62.020 63.200 -0.068 0.000 0.861 306 S HN 0.635 nan 8.310 nan 0.000 0.456 307 G N 2.273 111.089 108.800 0.027 0.000 2.955 307 G HA2 -0.196 3.782 3.960 0.031 0.000 0.210 307 G HA3 -0.196 3.782 3.960 0.031 0.000 0.210 307 G C 0.778 175.688 174.900 0.016 0.000 1.364 307 G CA 1.026 46.136 45.100 0.016 0.000 0.788 307 G HN 0.515 nan 8.290 nan 0.000 0.715 308 L N 0.693 121.904 121.223 -0.019 0.000 2.998 308 L HA 0.357 4.716 4.340 0.031 0.000 0.234 308 L C -0.382 176.421 176.870 -0.113 0.000 1.350 308 L CA -0.481 54.328 54.840 -0.052 0.000 1.202 308 L CB -0.427 41.593 42.059 -0.065 0.000 1.583 308 L HN 0.236 nan 8.230 nan 0.000 0.456 309 Y N -1.493 118.779 120.300 -0.046 0.000 2.432 309 Y HA 0.140 4.708 4.550 0.031 0.000 0.322 309 Y C 1.486 177.370 175.900 -0.028 0.000 1.246 309 Y CA 0.081 58.155 58.100 -0.044 0.000 1.268 309 Y CB 1.796 40.213 38.460 -0.072 0.000 1.276 309 Y HN 0.009 nan 8.280 nan 0.000 0.499 310 S N 0.206 116.017 115.700 0.185 0.000 2.599 310 S HA 0.026 4.514 4.470 0.031 0.000 0.236 310 S C 1.206 175.965 174.600 0.266 0.000 1.077 310 S CA -0.122 58.184 58.200 0.177 0.000 0.906 310 S CB -0.011 63.297 63.200 0.180 0.000 0.804 310 S HN 0.544 nan 8.310 nan 0.000 0.497 311 F N 2.486 122.421 119.950 -0.025 0.000 2.722 311 F HA 0.214 4.760 4.527 0.032 0.000 0.298 311 F C 1.273 176.956 175.800 -0.196 0.000 1.175 311 F CA -0.117 57.820 58.000 -0.104 0.000 1.462 311 F CB -0.469 38.451 39.000 -0.134 0.000 1.111 311 F HN 0.241 nan 8.300 nan 0.000 0.592 312 I N -2.631 117.936 120.570 -0.005 0.000 3.597 312 I HA 0.313 4.502 4.170 0.031 0.000 0.323 312 I C -0.007 176.105 176.117 -0.008 0.000 1.535 312 I CA -0.232 61.017 61.300 -0.084 0.000 1.028 312 I CB -0.180 37.661 38.000 -0.264 0.000 1.354 312 I HN 0.025 nan 8.210 nan 0.000 0.544 313 N N -0.831 117.893 118.700 0.039 0.000 2.475 313 N HA 0.126 4.884 4.740 0.031 0.000 0.272 313 N C 0.737 176.293 175.510 0.077 0.000 1.482 313 N CA -0.357 52.734 53.050 0.069 0.000 0.863 313 N CB 0.439 38.934 38.487 0.014 0.000 1.400 313 N HN 0.125 nan 8.380 nan 0.000 0.489 314 Q N 0.067 119.911 119.800 0.073 0.000 2.297 314 Q HA 0.250 4.608 4.340 0.031 0.000 0.204 314 Q C 0.807 176.840 176.000 0.056 0.000 0.962 314 Q CA 1.431 57.281 55.803 0.078 0.000 0.879 314 Q CB 0.217 29.035 28.738 0.133 0.000 0.947 314 Q HN 0.610 nan 8.270 nan 0.000 0.462 315 G N -1.961 106.864 108.800 0.041 0.000 3.251 315 G HA2 0.330 4.308 3.960 0.031 0.000 0.248 315 G HA3 0.330 4.308 3.960 0.031 0.000 0.248 315 G C -0.818 174.106 174.900 0.040 0.000 1.320 315 G CA -0.805 44.304 45.100 0.015 0.000 0.982 315 G HN 0.130 nan 8.290 nan 0.000 0.575 316 C N -0.672 118.632 119.300 0.008 0.000 2.624 316 C HA 0.042 4.520 4.460 0.031 0.000 0.396 316 C C 1.887 176.941 174.990 0.106 0.000 1.305 316 C CA 0.644 59.674 59.018 0.021 0.000 1.728 316 C CB -0.796 26.925 27.740 -0.033 0.000 2.628 316 C HN 0.489 nan 8.230 nan 0.000 0.622 317 L N 1.416 122.732 121.223 0.154 0.000 2.840 317 L HA 0.152 4.510 4.340 0.031 0.000 0.249 317 L C 1.039 178.042 176.870 0.221 0.000 1.119 317 L CA 0.318 55.380 54.840 0.370 0.000 0.930 317 L CB -0.298 41.889 42.059 0.213 0.000 1.295 317 L HN 0.810 nan 8.230 nan 0.000 0.534 318 T N -0.038 114.562 114.554 0.076 0.000 2.824 318 T HA 0.580 4.949 4.350 0.031 0.000 0.280 318 T C -0.316 174.357 174.700 -0.045 0.000 0.995 318 T CA -0.654 61.459 62.100 0.022 0.000 1.009 318 T CB 2.089 70.970 68.868 0.021 0.000 0.955 318 T HN -0.051 nan 8.240 nan 0.000 0.452 319 V N -0.131 119.737 119.914 -0.077 0.000 2.384 319 V HA 0.553 4.692 4.120 0.031 0.000 0.287 319 V C -0.646 175.411 176.094 -0.062 0.000 1.020 319 V CA -1.137 61.100 62.300 -0.105 0.000 0.850 319 V CB 0.705 32.418 31.823 -0.183 0.000 0.987 319 V HN 0.828 nan 8.190 nan 0.000 0.436 320 D N 3.133 123.503 120.400 -0.050 0.000 2.362 320 D HA 0.261 4.919 4.640 0.031 0.000 0.242 320 D C 0.754 177.036 176.300 -0.030 0.000 1.132 320 D CA 0.594 54.575 54.000 -0.032 0.000 0.907 320 D CB 0.079 40.861 40.800 -0.030 0.000 1.195 320 D HN 0.866 nan 8.370 nan 0.000 0.429 321 N N 0.154 118.844 118.700 -0.016 0.000 2.708 321 N HA -0.177 4.581 4.740 0.031 0.000 0.249 321 N C -1.026 174.481 175.510 -0.005 0.000 1.097 321 N CA 0.061 53.105 53.050 -0.009 0.000 0.710 321 N CB -0.479 38.000 38.487 -0.014 0.000 1.032 321 N HN 0.266 nan 8.380 nan 0.000 0.551 322 I N 0.809 121.374 120.570 -0.007 0.000 2.560 322 I HA 0.085 4.273 4.170 0.031 0.000 0.283 322 I C -0.501 175.619 176.117 0.004 0.000 1.115 322 I CA -0.549 60.749 61.300 -0.003 0.000 1.066 322 I CB 1.444 39.424 38.000 -0.032 0.000 1.221 322 I HN -0.014 nan 8.210 nan 0.000 0.450 323 D N 4.568 124.986 120.400 0.029 0.000 2.325 323 D HA 0.113 4.772 4.640 0.031 0.000 0.251 323 D C 0.688 177.028 176.300 0.068 0.000 1.196 323 D CA 0.225 54.253 54.000 0.046 0.000 0.866 323 D CB 1.499 42.330 40.800 0.051 0.000 1.101 323 D HN 0.373 nan 8.370 nan 0.000 0.476 324 D N 2.213 122.657 120.400 0.072 0.000 2.224 324 D HA -0.115 4.544 4.640 0.031 0.000 0.205 324 D C 2.007 178.409 176.300 0.170 0.000 0.965 324 D CA 0.973 55.034 54.000 0.101 0.000 0.852 324 D CB 0.471 41.323 40.800 0.086 0.000 0.947 324 D HN 0.423 nan 8.370 nan 0.000 0.494 325 V N -1.162 118.846 119.914 0.157 0.000 2.302 325 V HA -0.077 4.062 4.120 0.031 0.000 0.243 325 V C 1.990 178.181 176.094 0.162 0.000 1.036 325 V CA 0.964 63.383 62.300 0.198 0.000 1.020 325 V CB -0.613 31.291 31.823 0.135 0.000 0.657 325 V HN -0.073 nan 8.190 nan 0.000 0.453 326 E N 0.765 121.029 120.200 0.107 0.000 2.049 326 E HA -0.288 4.080 4.350 0.031 0.000 0.198 326 E C 2.194 178.848 176.600 0.091 0.000 1.007 326 E CA 2.247 58.692 56.400 0.076 0.000 0.809 326 E CB -0.353 29.383 29.700 0.060 0.000 0.749 326 E HN 0.841 nan 8.360 nan 0.000 0.450 327 E N -0.235 120.037 120.200 0.121 0.000 2.051 327 E HA -0.164 4.204 4.350 0.031 0.000 0.192 327 E C 1.920 178.639 176.600 0.199 0.000 0.991 327 E CA 0.724 57.205 56.400 0.135 0.000 0.799 327 E CB -0.229 29.554 29.700 0.138 0.000 0.748 327 E HN 0.124 nan 8.360 nan 0.000 0.449 328 F N 2.264 122.250 119.950 0.061 0.000 2.091 328 F HA -0.258 4.287 4.527 0.031 0.000 0.299 328 F C 2.064 177.919 175.800 0.091 0.000 1.103 328 F CA 2.015 60.055 58.000 0.068 0.000 1.228 328 F CB -0.565 38.474 39.000 0.065 0.000 0.984 328 F HN -0.110 nan 8.300 nan 0.000 0.477 329 K N 0.527 120.852 120.400 -0.124 0.000 2.044 329 K HA -0.206 4.133 4.320 0.031 0.000 0.210 329 K C 2.290 178.830 176.600 -0.099 0.000 1.049 329 K CA 2.120 58.257 56.287 -0.251 0.000 0.927 329 K CB -0.538 31.895 32.500 -0.111 0.000 0.713 329 K HN 0.448 nan 8.250 nan 0.000 0.443 330 L N 0.877 122.101 121.223 0.001 0.000 2.079 330 L HA -0.261 4.097 4.340 0.031 0.000 0.210 330 L C 2.940 179.840 176.870 0.050 0.000 1.081 330 L CA 1.223 56.080 54.840 0.027 0.000 0.752 330 L CB -0.583 41.503 42.059 0.046 0.000 0.896 330 L HN 0.529 nan 8.230 nan 0.000 0.433 331 C N 0.244 119.605 119.300 0.101 0.000 2.462 331 C HA -0.208 4.270 4.460 0.031 0.000 0.278 331 C C 2.538 177.684 174.990 0.260 0.000 1.253 331 C CA 1.380 60.500 59.018 0.171 0.000 1.713 331 C CB -0.541 27.379 27.740 0.300 0.000 2.049 331 C HN 0.668 nan 8.230 nan 0.000 0.477 332 D N 0.047 120.563 120.400 0.193 0.000 2.103 332 D HA -0.204 4.454 4.640 0.031 0.000 0.190 332 D C 2.260 178.646 176.300 0.144 0.000 0.997 332 D CA 1.963 56.076 54.000 0.188 0.000 0.833 332 D CB -0.378 40.345 40.800 -0.128 0.000 0.961 332 D HN 0.521 nan 8.370 nan 0.000 0.447 333 E N 0.165 120.390 120.200 0.042 0.000 2.048 333 E HA -0.296 4.073 4.350 0.031 0.000 0.202 333 E C 2.015 178.656 176.600 0.068 0.000 1.021 333 E CA 1.488 57.910 56.400 0.036 0.000 0.825 333 E CB -0.688 29.016 29.700 0.007 0.000 0.756 333 E HN 0.361 nan 8.360 nan 0.000 0.454 334 A N 0.682 123.538 122.820 0.060 0.000 1.841 334 A HA -0.222 4.117 4.320 0.031 0.000 0.216 334 A C 2.191 179.811 177.584 0.061 0.000 1.199 334 A CA 1.812 53.864 52.037 0.024 0.000 0.621 334 A CB -1.338 17.639 19.000 -0.038 0.000 0.835 334 A HN 0.366 nan 8.150 nan 0.000 0.445 335 F N 0.911 120.833 119.950 -0.046 0.000 2.127 335 F HA -0.320 4.226 4.527 0.031 0.000 0.299 335 F C 2.086 177.882 175.800 -0.006 0.000 1.068 335 F CA 2.140 60.068 58.000 -0.120 0.000 1.263 335 F CB -0.289 38.671 39.000 -0.067 0.000 1.016 335 F HN 0.328 nan 8.300 nan 0.000 0.491 336 D N -0.084 120.474 120.400 0.262 0.000 2.084 336 D HA -0.105 4.553 4.640 0.031 0.000 0.199 336 D C 2.354 178.756 176.300 0.171 0.000 0.981 336 D CA 1.573 55.696 54.000 0.204 0.000 0.841 336 D CB -0.550 40.320 40.800 0.117 0.000 0.997 336 D HN 0.254 nan 8.370 nan 0.000 0.454 337 I N 1.291 121.926 120.570 0.108 0.000 2.730 337 I HA -0.213 3.976 4.170 0.031 0.000 0.266 337 I C 1.552 177.724 176.117 0.092 0.000 1.228 337 I CA 0.294 61.638 61.300 0.074 0.000 1.445 337 I CB -0.167 37.856 38.000 0.039 0.000 1.102 337 I HN 0.041 nan 8.210 nan 0.000 0.464 338 L N 0.807 122.127 121.223 0.162 0.000 2.591 338 L HA 0.175 4.533 4.340 0.031 0.000 0.228 338 L C 1.516 178.542 176.870 0.259 0.000 1.133 338 L CA 0.845 55.814 54.840 0.215 0.000 0.880 338 L CB -1.378 40.870 42.059 0.314 0.000 1.033 338 L HN 0.508 nan 8.230 nan 0.000 0.450 339 G N 0.430 109.354 108.800 0.207 0.000 2.272 339 G HA2 -0.323 3.656 3.960 0.031 0.000 0.280 339 G HA3 -0.323 3.656 3.960 0.031 0.000 0.280 339 G C -0.100 174.896 174.900 0.159 0.000 1.067 339 G CA -0.137 45.044 45.100 0.134 0.000 0.902 339 G HN 0.193 nan 8.290 nan 0.000 0.500 340 F N 1.755 121.771 119.950 0.109 0.000 2.404 340 F HA 0.514 5.060 4.527 0.031 0.000 0.345 340 F C 1.691 177.541 175.800 0.083 0.000 1.110 340 F CA 0.133 58.218 58.000 0.142 0.000 1.130 340 F CB 1.124 40.289 39.000 0.275 0.000 1.129 340 F HN 0.292 nan 8.300 nan 0.000 0.500 341 T N 0.197 114.829 114.554 0.130 0.000 2.663 341 T HA 0.006 4.374 4.350 0.031 0.000 0.325 341 T C 1.381 176.132 174.700 0.087 0.000 1.059 341 T CA -0.511 61.635 62.100 0.077 0.000 1.039 341 T CB 0.585 69.468 68.868 0.026 0.000 0.996 341 T HN 0.764 nan 8.240 nan 0.000 0.539 342 K N 0.576 120.992 120.400 0.027 0.000 2.097 342 K HA -0.151 4.187 4.320 0.031 0.000 0.205 342 K C 2.164 178.740 176.600 -0.039 0.000 1.050 342 K CA 1.349 57.626 56.287 -0.018 0.000 0.938 342 K CB -0.100 32.379 32.500 -0.035 0.000 0.718 342 K HN 0.757 nan 8.250 nan 0.000 0.442 343 E N 1.123 121.311 120.200 -0.020 0.000 2.017 343 E HA -0.234 4.135 4.350 0.031 0.000 0.193 343 E C 1.873 178.470 176.600 -0.005 0.000 0.997 343 E CA 1.334 57.715 56.400 -0.032 0.000 0.804 343 E CB -0.596 29.087 29.700 -0.029 0.000 0.757 343 E HN 0.434 nan 8.360 nan 0.000 0.448 344 E N 1.215 121.450 120.200 0.058 0.000 2.097 344 E HA -0.234 4.135 4.350 0.031 0.000 0.196 344 E C 2.145 178.883 176.600 0.230 0.000 1.000 344 E CA 1.713 58.210 56.400 0.162 0.000 0.804 344 E CB -0.115 29.721 29.700 0.226 0.000 0.740 344 E HN 0.235 nan 8.360 nan 0.000 0.454 345 K N 0.878 121.376 120.400 0.164 0.000 2.020 345 K HA -0.279 4.060 4.320 0.031 0.000 0.212 345 K C 2.087 178.602 176.600 -0.142 0.000 1.050 345 K CA 2.013 58.273 56.287 -0.045 0.000 0.929 345 K CB -0.018 32.419 32.500 -0.105 0.000 0.714 345 K HN 0.087 nan 8.250 nan 0.000 0.443 346 Q N 0.035 119.708 119.800 -0.213 0.000 2.123 346 Q HA -0.072 4.286 4.340 0.031 0.000 0.199 346 Q C 2.023 178.008 176.000 -0.026 0.000 0.966 346 Q CA 1.616 57.251 55.803 -0.280 0.000 0.845 346 Q CB 0.107 28.709 28.738 -0.227 0.000 0.907 346 Q HN 0.453 nan 8.270 nan 0.000 0.439 347 S N -0.065 115.629 115.700 -0.010 0.000 2.500 347 S HA -0.077 4.411 4.470 0.031 0.000 0.239 347 S C 1.658 176.264 174.600 0.010 0.000 0.989 347 S CA 0.718 58.903 58.200 -0.024 0.000 0.951 347 S CB 0.013 63.171 63.200 -0.070 0.000 0.759 347 S HN 0.206 nan 8.310 nan 0.000 0.523 348 M N 0.745 120.423 119.600 0.129 0.000 2.384 348 M HA 0.329 4.828 4.480 0.031 0.000 0.258 348 M C 1.771 178.181 176.300 0.184 0.000 1.130 348 M CA 0.738 56.123 55.300 0.142 0.000 1.187 348 M CB -1.485 31.197 32.600 0.137 0.000 1.307 348 M HN 0.322 nan 8.290 nan 0.000 0.468 349 F N 0.975 120.885 119.950 -0.066 0.000 2.120 349 F HA -0.306 4.240 4.527 0.031 0.000 0.300 349 F C 2.559 178.312 175.800 -0.078 0.000 1.095 349 F CA 1.368 59.318 58.000 -0.083 0.000 1.249 349 F CB -0.660 38.299 39.000 -0.068 0.000 0.995 349 F HN 0.205 nan 8.300 nan 0.000 0.480 350 K N 0.338 120.850 120.400 0.187 0.000 2.001 350 K HA -0.244 4.095 4.320 0.031 0.000 0.214 350 K C 2.165 178.799 176.600 0.057 0.000 1.050 350 K CA 2.225 58.562 56.287 0.084 0.000 0.934 350 K CB -0.618 31.899 32.500 0.029 0.000 0.718 350 K HN 0.295 nan 8.250 nan 0.000 0.443 351 C N 0.155 119.482 119.300 0.045 0.000 2.413 351 C HA -0.103 4.376 4.460 0.031 0.000 0.276 351 C C 2.802 177.827 174.990 0.059 0.000 1.236 351 C CA 1.358 60.406 59.018 0.049 0.000 1.735 351 C CB -1.019 26.737 27.740 0.026 0.000 2.031 351 C HN 0.636 nan 8.230 nan 0.000 0.474 352 T N 0.679 115.236 114.554 0.005 0.000 2.737 352 T HA -0.166 4.203 4.350 0.031 0.000 0.269 352 T C 1.925 176.510 174.700 -0.193 0.000 1.040 352 T CA 1.758 63.776 62.100 -0.137 0.000 1.142 352 T CB -0.291 68.370 68.868 -0.346 0.000 0.861 352 T HN 0.661 nan 8.240 nan 0.000 0.456 353 A N 1.181 123.931 122.820 -0.116 0.000 1.929 353 A HA -0.023 4.316 4.320 0.031 0.000 0.216 353 A C 2.536 180.057 177.584 -0.104 0.000 1.176 353 A CA 1.871 53.817 52.037 -0.151 0.000 0.628 353 A CB -0.853 18.097 19.000 -0.084 0.000 0.816 353 A HN 0.608 nan 8.150 nan 0.000 0.444 354 S N 0.426 116.159 115.700 0.056 0.000 2.402 354 S HA -0.204 4.285 4.470 0.031 0.000 0.233 354 S C 1.849 176.546 174.600 0.162 0.000 1.030 354 S CA 1.627 59.922 58.200 0.158 0.000 1.003 354 S CB -0.811 62.483 63.200 0.156 0.000 0.813 354 S HN 0.503 nan 8.310 nan 0.000 0.477 355 I N 1.070 121.769 120.570 0.216 0.000 2.252 355 I HA -0.136 4.052 4.170 0.031 0.000 0.245 355 I C 2.405 178.617 176.117 0.159 0.000 1.102 355 I CA 1.083 62.560 61.300 0.295 0.000 1.385 355 I CB -0.515 37.839 38.000 0.590 0.000 1.064 355 I HN 0.281 nan 8.210 nan 0.000 0.414 356 L N 0.110 121.420 121.223 0.145 0.000 2.089 356 L HA -0.297 4.061 4.340 0.031 0.000 0.213 356 L C 2.627 179.502 176.870 0.008 0.000 1.079 356 L CA 1.509 56.331 54.840 -0.030 0.000 0.758 356 L CB -0.891 40.935 42.059 -0.389 0.000 0.891 356 L HN 0.358 nan 8.230 nan 0.000 0.433 357 H N -0.663 118.467 119.070 0.100 0.000 2.384 357 H HA 0.014 4.589 4.556 0.031 0.000 0.300 357 H C 2.245 177.543 175.328 -0.050 0.000 1.057 357 H CA 1.616 57.703 56.048 0.064 0.000 1.370 357 H CB -0.353 29.460 29.762 0.084 0.000 1.417 357 H HN 0.443 nan 8.280 nan 0.000 0.527 358 M N -0.513 119.116 119.600 0.049 0.000 2.460 358 M HA 0.130 4.629 4.480 0.031 0.000 0.263 358 M C 1.974 178.066 176.300 -0.346 0.000 1.071 358 M CA 1.490 56.762 55.300 -0.047 0.000 1.096 358 M CB -0.478 32.144 32.600 0.036 0.000 1.408 358 M HN 0.009 nan 8.290 nan 0.000 0.463 359 G N 0.767 109.110 108.800 -0.762 0.000 3.094 359 G HA2 -0.007 3.971 3.960 0.031 0.000 0.208 359 G HA3 -0.007 3.971 3.960 0.031 0.000 0.208 359 G C 1.111 175.671 174.900 -0.565 0.000 1.189 359 G CA 0.159 44.220 45.100 -1.731 0.000 0.856 359 G HN 0.413 nan 8.290 nan 0.000 0.510 360 E N -0.263 119.796 120.200 -0.236 0.000 2.474 360 E HA 0.095 4.464 4.350 0.031 0.000 0.215 360 E C 1.446 178.062 176.600 0.026 0.000 0.867 360 E CA -0.073 56.293 56.400 -0.057 0.000 1.135 360 E CB -0.080 29.616 29.700 -0.007 0.000 1.147 360 E HN 0.499 nan 8.360 nan 0.000 0.534 361 M N 2.300 121.942 119.600 0.071 0.000 3.183 361 M HA 0.035 4.533 4.480 0.031 0.000 0.266 361 M C 0.054 176.577 176.300 0.371 0.000 1.649 361 M CA 0.357 55.758 55.300 0.169 0.000 1.654 361 M CB -0.970 31.775 32.600 0.241 0.000 1.479 361 M HN -0.417 nan 8.290 nan 0.000 0.499 362 K N 1.874 122.363 120.400 0.147 0.000 2.397 362 K HA 0.426 4.764 4.320 0.031 0.000 0.265 362 K C -0.683 175.948 176.600 0.050 0.000 0.982 362 K CA 0.782 57.182 56.287 0.189 0.000 0.931 362 K CB 0.439 32.958 32.500 0.031 0.000 0.943 362 K HN 0.282 nan 8.250 nan 0.000 0.501 363 F N -0.985 118.966 119.950 0.003 0.000 2.715 363 F HA 0.671 5.217 4.527 0.031 0.000 0.318 363 F C 0.447 176.248 175.800 0.001 0.000 1.141 363 F CA -0.796 57.206 58.000 0.003 0.000 0.950 363 F CB 0.993 39.999 39.000 0.009 0.000 1.374 363 F HN 0.370 nan 8.300 nan 0.000 0.477 371 Q N -1.025 118.823 119.800 0.079 0.000 2.028 371 Q HA 0.534 4.892 4.340 0.031 0.000 0.207 371 Q C 0.418 176.492 176.000 0.123 0.000 0.776 371 Q CA 0.559 56.413 55.803 0.085 0.000 1.015 371 Q CB 1.996 30.767 28.738 0.054 0.000 1.215 371 Q HN 0.474 nan 8.270 nan 0.000 0.445 372 A N 0.544 123.444 122.820 0.133 0.000 1.780 372 A HA 0.099 4.437 4.320 0.031 0.000 0.208 372 A C 0.539 178.166 177.584 0.073 0.000 1.761 372 A CA -0.018 52.084 52.037 0.108 0.000 1.183 372 A CB 0.115 19.144 19.000 0.048 0.000 1.162 372 A HN 0.132 nan 8.150 nan 0.000 0.472 373 E N 2.360 122.594 120.200 0.056 0.000 2.877 373 E HA 0.036 4.404 4.350 0.031 0.000 0.230 373 E C -0.050 176.420 176.600 -0.217 0.000 1.126 373 E CA 0.588 56.970 56.400 -0.030 0.000 0.946 373 E CB -0.227 29.479 29.700 0.009 0.000 0.965 373 E HN 0.425 nan 8.360 nan 0.000 0.529 374 S N 2.760 118.246 115.700 -0.357 0.000 3.489 374 S HA 0.107 4.595 4.470 0.031 0.000 0.227 374 S C 0.709 175.101 174.600 -0.346 0.000 1.360 374 S CA -0.394 57.416 58.200 -0.649 0.000 0.934 374 S CB 0.925 63.782 63.200 -0.571 0.000 1.410 374 S HN 0.658 nan 8.310 nan 0.000 0.483 375 D N 4.522 124.767 120.400 -0.257 0.000 2.564 375 D HA -0.184 4.475 4.640 0.031 0.000 0.209 375 D C 1.290 177.510 176.300 -0.135 0.000 1.075 375 D CA 2.171 56.085 54.000 -0.143 0.000 0.922 375 D CB -0.610 40.137 40.800 -0.090 0.000 1.186 375 D HN 0.669 nan 8.370 nan 0.000 0.487 376 G N -1.221 107.501 108.800 -0.130 0.000 3.161 376 G HA2 0.282 4.261 3.960 0.031 0.000 0.293 376 G HA3 0.282 4.261 3.960 0.031 0.000 0.293 376 G C 0.655 175.481 174.900 -0.123 0.000 0.893 376 G CA 0.263 45.300 45.100 -0.106 0.000 1.756 376 G HN 0.430 nan 8.290 nan 0.000 0.549 377 T N -1.346 113.129 114.554 -0.132 0.000 3.400 377 T HA 0.210 4.579 4.350 0.031 0.000 0.254 377 T C 1.893 176.537 174.700 -0.093 0.000 1.153 377 T CA 0.760 62.786 62.100 -0.123 0.000 1.012 377 T CB 0.312 69.110 68.868 -0.117 0.000 0.994 377 T HN 0.329 nan 8.240 nan 0.000 0.555 378 A N 0.568 123.334 122.820 -0.090 0.000 2.081 378 A HA 0.269 4.608 4.320 0.031 0.000 0.214 378 A C 2.095 179.620 177.584 -0.097 0.000 1.158 378 A CA 0.505 52.491 52.037 -0.086 0.000 0.724 378 A CB -0.068 18.884 19.000 -0.080 0.000 0.826 378 A HN 0.545 nan 8.150 nan 0.000 0.463 379 E N -0.533 119.611 120.200 -0.094 0.000 2.175 379 E HA 0.279 4.647 4.350 0.031 0.000 0.195 379 E C 2.136 178.681 176.600 -0.091 0.000 0.934 379 E CA 0.802 57.135 56.400 -0.112 0.000 0.870 379 E CB -0.334 29.322 29.700 -0.074 0.000 0.838 379 E HN 0.399 nan 8.360 nan 0.000 0.474 380 A N 1.055 123.840 122.820 -0.058 0.000 2.084 380 A HA -0.289 4.050 4.320 0.031 0.000 0.221 380 A C 2.016 179.580 177.584 -0.034 0.000 1.161 380 A CA 1.918 53.938 52.037 -0.029 0.000 0.653 380 A CB -0.509 18.458 19.000 -0.054 0.000 0.802 380 A HN 0.218 nan 8.150 nan 0.000 0.457 381 E N 0.020 120.185 120.200 -0.058 0.000 2.038 381 E HA -0.202 4.167 4.350 0.031 0.000 0.195 381 E C 1.945 178.524 176.600 -0.034 0.000 1.000 381 E CA 1.709 58.078 56.400 -0.051 0.000 0.803 381 E CB -0.192 29.464 29.700 -0.073 0.000 0.750 381 E HN 0.565 nan 8.360 nan 0.000 0.448 382 K N -0.532 119.826 120.400 -0.068 0.000 2.293 382 K HA -0.148 4.191 4.320 0.031 0.000 0.204 382 K C 1.711 178.328 176.600 0.029 0.000 1.045 382 K CA 1.066 57.311 56.287 -0.069 0.000 0.933 382 K CB -0.028 32.323 32.500 -0.250 0.000 0.736 382 K HN 0.069 nan 8.250 nan 0.000 0.463 383 V N 0.236 120.178 119.914 0.046 0.000 2.970 383 V HA -0.145 3.993 4.120 0.031 0.000 0.260 383 V C 1.992 178.139 176.094 0.089 0.000 1.100 383 V CA 1.446 63.803 62.300 0.095 0.000 1.122 383 V CB -0.116 31.760 31.823 0.087 0.000 0.721 383 V HN 0.374 nan 8.190 nan 0.000 0.483 384 A N -0.179 122.691 122.820 0.084 0.000 1.873 384 A HA -0.216 4.123 4.320 0.031 0.000 0.215 384 A C 2.048 179.706 177.584 0.122 0.000 1.186 384 A CA 1.777 53.862 52.037 0.081 0.000 0.616 384 A CB -0.633 18.409 19.000 0.069 0.000 0.823 384 A HN 0.498 nan 8.150 nan 0.000 0.442 385 F N 0.433 120.378 119.950 -0.009 0.000 2.186 385 F HA -0.044 4.502 4.527 0.031 0.000 0.299 385 F C 1.822 177.625 175.800 0.004 0.000 1.090 385 F CA 1.291 59.288 58.000 -0.006 0.000 1.307 385 F CB -0.228 38.766 39.000 -0.009 0.000 1.019 385 F HN 0.122 nan 8.300 nan 0.000 0.489 386 L N -1.451 119.812 121.223 0.068 0.000 2.072 386 L HA -0.215 4.143 4.340 0.031 0.000 0.205 386 L C 2.430 179.273 176.870 -0.045 0.000 1.079 386 L CA 1.102 55.938 54.840 -0.007 0.000 0.752 386 L CB -0.815 41.309 42.059 0.109 0.000 0.906 386 L HN 0.166 nan 8.230 nan 0.000 0.436 387 C N -0.606 118.683 119.300 -0.018 0.000 2.504 387 C HA 0.321 4.799 4.460 0.031 0.000 0.279 387 C C 1.570 176.522 174.990 -0.064 0.000 1.358 387 C CA 0.415 59.409 59.018 -0.040 0.000 1.747 387 C CB -0.538 27.178 27.740 -0.039 0.000 2.037 387 C HN 0.799 nan 8.230 nan 0.000 0.503 388 G N 1.269 110.035 108.800 -0.058 0.000 2.207 388 G HA2 -0.124 3.854 3.960 0.031 0.000 0.216 388 G HA3 -0.124 3.854 3.960 0.031 0.000 0.216 388 G C -0.531 174.349 174.900 -0.033 0.000 1.053 388 G CA 0.221 45.284 45.100 -0.062 0.000 0.764 388 G HN 0.571 nan 8.290 nan 0.000 0.495 389 I N -2.080 118.480 120.570 -0.016 0.000 2.533 389 I HA 0.566 4.754 4.170 0.031 0.000 0.290 389 I C -0.282 175.838 176.117 0.006 0.000 1.056 389 I CA -2.728 58.562 61.300 -0.016 0.000 1.057 389 I CB 1.487 39.466 38.000 -0.036 0.000 1.240 389 I HN 0.081 nan 8.210 nan 0.000 0.423 390 N N 4.010 122.714 118.700 0.007 0.000 2.411 390 N HA 0.256 5.015 4.740 0.031 0.000 0.265 390 N C 1.286 176.801 175.510 0.010 0.000 1.266 390 N CA 0.767 53.826 53.050 0.015 0.000 0.889 390 N CB 1.244 39.736 38.487 0.008 0.000 1.069 390 N HN 0.881 nan 8.380 nan 0.000 0.476 391 A N 3.735 126.565 122.820 0.016 0.000 1.917 391 A HA -0.131 4.207 4.320 0.031 0.000 0.219 391 A C 2.076 179.662 177.584 0.002 0.000 1.182 391 A CA 1.943 53.987 52.037 0.011 0.000 0.633 391 A CB -1.397 17.608 19.000 0.009 0.000 0.819 391 A HN 0.797 nan 8.150 nan 0.000 0.448 392 G N -0.429 108.369 108.800 -0.004 0.000 2.442 392 G HA2 -0.248 3.731 3.960 0.031 0.000 0.219 392 G HA3 -0.248 3.731 3.960 0.031 0.000 0.219 392 G C 1.085 175.983 174.900 -0.003 0.000 1.141 392 G CA 1.362 46.456 45.100 -0.009 0.000 0.763 392 G HN 0.516 nan 8.290 nan 0.000 0.554 393 D N -0.110 120.290 120.400 -0.001 0.000 2.097 393 D HA -0.096 4.562 4.640 0.031 0.000 0.195 393 D C 2.275 178.577 176.300 0.003 0.000 0.989 393 D CA 0.614 54.614 54.000 -0.000 0.000 0.827 393 D CB -0.245 40.554 40.800 -0.003 0.000 0.966 393 D HN 0.256 nan 8.370 nan 0.000 0.456 394 L N 0.025 121.250 121.223 0.004 0.000 2.093 394 L HA -0.018 4.340 4.340 0.031 0.000 0.208 394 L C 1.798 178.685 176.870 0.028 0.000 1.085 394 L CA 1.386 56.232 54.840 0.009 0.000 0.755 394 L CB -0.204 41.858 42.059 0.006 0.000 0.904 394 L HN 0.069 nan 8.230 nan 0.000 0.435 395 L N -0.544 120.695 121.223 0.028 0.000 2.395 395 L HA -0.104 4.254 4.340 0.031 0.000 0.218 395 L C 2.770 179.667 176.870 0.044 0.000 1.130 395 L CA 1.083 55.950 54.840 0.046 0.000 0.826 395 L CB -0.604 41.461 42.059 0.010 0.000 0.941 395 L HN 0.363 nan 8.230 nan 0.000 0.451 396 K N -0.125 120.290 120.400 0.026 0.000 2.078 396 K HA 0.158 4.497 4.320 0.031 0.000 0.203 396 K C 2.051 178.668 176.600 0.028 0.000 1.043 396 K CA 0.906 57.206 56.287 0.023 0.000 0.960 396 K CB -1.026 31.480 32.500 0.010 0.000 0.761 396 K HN 0.305 nan 8.250 nan 0.000 0.448 397 A N -0.423 122.410 122.820 0.022 0.000 2.172 397 A HA 0.357 4.695 4.320 0.031 0.000 0.216 397 A C 1.316 178.915 177.584 0.026 0.000 1.154 397 A CA 1.266 53.315 52.037 0.019 0.000 0.701 397 A CB -0.058 18.948 19.000 0.010 0.000 0.789 397 A HN 0.389 nan 8.150 nan 0.000 0.465 398 L N -1.625 119.622 121.223 0.040 0.000 3.449 398 L HA 0.267 4.625 4.340 0.031 0.000 0.347 398 L C 0.978 177.891 176.870 0.072 0.000 1.333 398 L CA -0.044 54.824 54.840 0.045 0.000 0.905 398 L CB 0.281 42.361 42.059 0.034 0.000 1.348 398 L HN 0.197 nan 8.230 nan 0.000 0.611 399 L N 0.477 121.757 121.223 0.094 0.000 2.034 399 L HA -0.002 4.357 4.340 0.031 0.000 0.203 399 L C 2.217 179.146 176.870 0.098 0.000 1.074 399 L CA 1.929 56.864 54.840 0.158 0.000 0.748 399 L CB -0.113 42.059 42.059 0.188 0.000 0.905 399 L HN 0.389 nan 8.230 nan 0.000 0.439 400 K N -0.869 119.574 120.400 0.072 0.000 2.501 400 K HA 0.297 4.636 4.320 0.031 0.000 0.204 400 K C -2.468 174.153 176.600 0.035 0.000 1.067 400 K CA -0.805 55.510 56.287 0.046 0.000 1.060 400 K CB -0.588 31.939 32.500 0.045 0.000 0.873 400 K HN 0.140 nan 8.250 nan 0.000 0.540 401 P HA 0.229 nan 4.420 nan 0.000 0.271 401 P C 0.306 177.619 177.300 0.022 0.000 1.244 401 P CA 0.122 63.238 63.100 0.026 0.000 0.793 401 P CB 0.666 32.382 31.700 0.026 0.000 0.984 402 K N 0.221 120.631 120.400 0.017 0.000 2.362 402 K HA 0.612 4.951 4.320 0.031 0.000 0.245 402 K C -0.181 176.427 176.600 0.013 0.000 1.040 402 K CA -0.381 55.914 56.287 0.014 0.000 0.961 402 K CB 0.242 32.749 32.500 0.012 0.000 1.252 402 K HN 0.406 nan 8.250 nan 0.000 0.503 403 V N -1.462 118.459 119.914 0.012 0.000 3.156 403 V HA 0.774 4.913 4.120 0.031 0.000 0.310 403 V C 0.086 176.184 176.094 0.008 0.000 1.234 403 V CA -0.097 62.209 62.300 0.010 0.000 1.065 403 V CB 2.043 33.872 31.823 0.011 0.000 1.088 403 V HN 1.345 nan 8.190 nan 0.000 0.451 404 K N 0.335 120.738 120.400 0.005 0.000 2.399 404 K HA 0.955 5.294 4.320 0.031 0.000 0.247 404 K C -0.283 176.318 176.600 0.003 0.000 1.036 404 K CA 0.350 56.639 56.287 0.004 0.000 0.977 404 K CB 0.791 33.292 32.500 0.002 0.000 1.272 404 K HN 1.834 nan 8.250 nan 0.000 0.501 410 V N 0.742 120.660 119.914 0.007 0.000 3.158 410 V HA 0.901 5.039 4.120 0.031 0.000 0.311 410 V C -0.918 175.181 176.094 0.009 0.000 1.181 410 V CA -0.350 61.955 62.300 0.008 0.000 1.054 410 V CB 2.903 34.731 31.823 0.008 0.000 1.085 410 V HN 0.938 nan 8.190 nan 0.000 0.446 411 T N 1.605 116.166 114.554 0.010 0.000 2.952 411 T HA 0.810 5.179 4.350 0.031 0.000 0.305 411 T C -0.713 173.995 174.700 0.013 0.000 1.064 411 T CA -0.629 61.478 62.100 0.012 0.000 1.008 411 T CB 1.601 70.476 68.868 0.012 0.000 1.078 411 T HN 0.981 nan 8.240 nan 0.000 0.459 412 K N 0.365 120.774 120.400 0.014 0.000 2.615 412 K HA 0.716 5.054 4.320 0.031 0.000 0.249 412 K C 0.628 177.238 176.600 0.017 0.000 0.977 412 K CA -0.487 55.809 56.287 0.014 0.000 0.833 412 K CB 0.899 33.407 32.500 0.013 0.000 1.208 412 K HN 1.315 nan 8.250 nan 0.000 0.443 413 G N 3.287 112.098 108.800 0.018 0.000 2.029 413 G HA2 -0.209 3.770 3.960 0.031 0.000 0.254 413 G HA3 -0.209 3.770 3.960 0.031 0.000 0.254 413 G C 0.331 175.244 174.900 0.022 0.000 0.705 413 G CA 0.281 45.394 45.100 0.021 0.000 0.866 413 G HN 0.743 nan 8.290 nan 0.000 0.420 414 Q N -0.116 119.697 119.800 0.022 0.000 2.687 414 Q HA -0.113 4.245 4.340 0.031 0.000 0.341 414 Q C 0.903 176.912 176.000 0.015 0.000 1.074 414 Q CA 0.611 56.424 55.803 0.016 0.000 1.115 414 Q CB 0.227 28.975 28.738 0.017 0.000 0.996 414 Q HN 0.768 nan 8.270 nan 0.000 0.397 415 N N 1.838 120.538 118.700 0.000 0.000 2.483 415 N HA -0.003 4.755 4.740 0.031 0.000 0.269 415 N C 0.812 176.298 175.510 -0.041 0.000 1.209 415 N CA -0.185 52.862 53.050 -0.005 0.000 0.969 415 N CB 0.531 39.017 38.487 -0.002 0.000 1.173 415 N HN 0.633 nan 8.380 nan 0.000 0.475 416 M N 1.678 121.261 119.600 -0.028 0.000 2.699 416 M HA -0.215 4.283 4.480 0.031 0.000 0.253 416 M C -0.113 176.108 176.300 -0.133 0.000 1.062 416 M CA 2.056 57.311 55.300 -0.074 0.000 1.050 416 M CB -0.679 31.921 32.600 -0.002 0.000 1.380 416 M HN 0.774 nan 8.290 nan 0.000 0.520 417 N N -1.409 117.231 118.700 -0.100 0.000 2.677 417 N HA -0.043 4.715 4.740 0.031 0.000 0.242 417 N C 1.541 177.000 175.510 -0.087 0.000 1.044 417 N CA 0.141 53.139 53.050 -0.088 0.000 0.934 417 N CB -0.677 37.781 38.487 -0.048 0.000 1.595 417 N HN 0.504 nan 8.380 nan 0.000 0.459 418 Q N 1.568 121.329 119.800 -0.065 0.000 2.170 418 Q HA -0.039 4.320 4.340 0.031 0.000 0.203 418 Q C 2.041 177.999 176.000 -0.070 0.000 0.976 418 Q CA 1.224 56.999 55.803 -0.046 0.000 0.858 418 Q CB -0.654 28.069 28.738 -0.024 0.000 0.907 418 Q HN 0.249 nan 8.270 nan 0.000 0.433 419 V N 1.837 121.681 119.914 -0.116 0.000 2.250 419 V HA -0.302 3.837 4.120 0.031 0.000 0.250 419 V C 2.598 178.559 176.094 -0.220 0.000 1.060 419 V CA 2.124 64.309 62.300 -0.192 0.000 1.030 419 V CB -0.562 31.059 31.823 -0.336 0.000 0.643 419 V HN 0.258 nan 8.190 nan 0.000 0.445 420 V N -0.178 119.592 119.914 -0.239 0.000 2.343 420 V HA -0.247 3.891 4.120 0.031 0.000 0.247 420 V C 1.749 177.819 176.094 -0.040 0.000 1.051 420 V CA 2.404 64.614 62.300 -0.150 0.000 1.036 420 V CB -0.965 30.787 31.823 -0.117 0.000 0.654 420 V HN 0.624 nan 8.190 nan 0.000 0.451 421 N N -0.648 118.024 118.700 -0.046 0.000 2.398 421 N HA 0.023 4.782 4.740 0.031 0.000 0.188 421 N C 1.464 176.973 175.510 -0.002 0.000 1.122 421 N CA 0.341 53.380 53.050 -0.019 0.000 0.866 421 N CB 0.211 38.683 38.487 -0.026 0.000 0.970 421 N HN 0.264 nan 8.380 nan 0.000 0.462 422 S N -0.710 114.985 115.700 -0.009 0.000 2.512 422 S HA 0.074 4.563 4.470 0.031 0.000 0.216 422 S C 1.693 176.322 174.600 0.048 0.000 1.006 422 S CA -0.239 57.971 58.200 0.017 0.000 0.915 422 S CB 0.539 63.741 63.200 0.004 0.000 0.824 422 S HN 0.137 nan 8.310 nan 0.000 0.497 423 V N 1.885 121.831 119.914 0.053 0.000 2.323 423 V HA -0.028 4.111 4.120 0.031 0.000 0.244 423 V C 2.206 178.415 176.094 0.191 0.000 1.041 423 V CA 2.249 64.621 62.300 0.119 0.000 1.025 423 V CB -0.842 31.063 31.823 0.137 0.000 0.656 423 V HN 0.519 nan 8.190 nan 0.000 0.451 424 G N -1.122 107.787 108.800 0.181 0.000 2.443 424 G HA2 -0.141 3.837 3.960 0.031 0.000 0.219 424 G HA3 -0.141 3.837 3.960 0.031 0.000 0.219 424 G C 1.748 176.717 174.900 0.114 0.000 1.131 424 G CA 0.926 46.116 45.100 0.149 0.000 0.775 424 G HN 0.723 nan 8.290 nan 0.000 0.547 425 A N 1.103 123.980 122.820 0.095 0.000 1.892 425 A HA -0.088 4.250 4.320 0.031 0.000 0.218 425 A C 2.385 180.053 177.584 0.139 0.000 1.188 425 A CA 1.953 54.046 52.037 0.093 0.000 0.631 425 A CB -0.465 18.583 19.000 0.079 0.000 0.822 425 A HN 0.812 nan 8.150 nan 0.000 0.447 426 L N -1.425 119.894 121.223 0.159 0.000 2.109 426 L HA 0.197 4.556 4.340 0.031 0.000 0.207 426 L C 2.458 179.476 176.870 0.246 0.000 1.086 426 L CA 2.023 56.983 54.840 0.200 0.000 0.760 426 L CB -0.757 41.397 42.059 0.159 0.000 0.910 426 L HN 0.272 nan 8.230 nan 0.000 0.437 427 A N 0.919 123.894 122.820 0.259 0.000 1.834 427 A HA -0.225 4.114 4.320 0.031 0.000 0.216 427 A C 2.323 180.086 177.584 0.299 0.000 1.203 427 A CA 2.415 54.646 52.037 0.323 0.000 0.621 427 A CB -0.697 18.548 19.000 0.409 0.000 0.841 427 A HN 0.570 nan 8.150 nan 0.000 0.446 428 K N -0.402 120.123 120.400 0.207 0.000 2.025 428 K HA -0.091 4.248 4.320 0.031 0.000 0.207 428 K C 2.242 178.957 176.600 0.191 0.000 1.049 428 K CA 1.325 57.719 56.287 0.178 0.000 0.933 428 K CB -0.452 32.090 32.500 0.070 0.000 0.714 428 K HN 0.415 nan 8.250 nan 0.000 0.438 429 S N 0.961 116.761 115.700 0.166 0.000 2.512 429 S HA -0.131 4.357 4.470 0.031 0.000 0.253 429 S C 1.572 176.266 174.600 0.155 0.000 0.984 429 S CA 0.830 59.119 58.200 0.149 0.000 0.962 429 S CB -0.106 63.198 63.200 0.173 0.000 0.747 429 S HN 0.337 nan 8.310 nan 0.000 0.525 430 L N -1.227 120.135 121.223 0.232 0.000 2.515 430 L HA 0.324 4.682 4.340 0.031 0.000 0.202 430 L C 1.840 178.833 176.870 0.205 0.000 1.056 430 L CA 0.261 55.232 54.840 0.218 0.000 0.847 430 L CB -0.501 41.771 42.059 0.356 0.000 1.131 430 L HN 0.276 nan 8.230 nan 0.000 0.484 431 Y N 1.025 121.429 120.300 0.172 0.000 2.348 431 Y HA -0.339 4.230 4.550 0.031 0.000 0.285 431 Y C 2.025 177.996 175.900 0.117 0.000 1.173 431 Y CA 2.212 60.422 58.100 0.184 0.000 1.263 431 Y CB -0.119 38.486 38.460 0.243 0.000 0.974 431 Y HN 0.432 nan 8.280 nan 0.000 0.547 432 D N -0.853 119.701 120.400 0.257 0.000 2.120 432 D HA -0.086 4.572 4.640 0.031 0.000 0.202 432 D C 2.081 178.436 176.300 0.093 0.000 0.972 432 D CA 1.217 55.312 54.000 0.159 0.000 0.837 432 D CB -0.028 40.830 40.800 0.096 0.000 0.989 432 D HN 0.270 nan 8.370 nan 0.000 0.469 433 R N -0.223 120.295 120.500 0.029 0.000 2.152 433 R HA -0.079 4.280 4.340 0.031 0.000 0.232 433 R C 2.281 178.587 176.300 0.011 0.000 1.117 433 R CA 1.008 57.089 56.100 -0.033 0.000 0.981 433 R CB -0.286 29.897 30.300 -0.195 0.000 0.870 433 R HN 0.339 nan 8.270 nan 0.000 0.451 434 M N -0.158 119.439 119.600 -0.006 0.000 2.216 434 M HA -0.068 4.430 4.480 0.031 0.000 0.264 434 M C 1.894 178.127 176.300 -0.111 0.000 1.080 434 M CA 1.415 56.680 55.300 -0.059 0.000 1.153 434 M CB -0.093 32.413 32.600 -0.158 0.000 1.356 434 M HN 0.046 nan 8.290 nan 0.000 0.432 435 F N 1.575 121.343 119.950 -0.304 0.000 2.095 435 F HA -0.249 4.297 4.527 0.031 0.000 0.298 435 F C 1.811 177.469 175.800 -0.236 0.000 1.104 435 F CA 2.152 59.933 58.000 -0.364 0.000 1.232 435 F CB -0.602 38.227 39.000 -0.284 0.000 0.987 435 F HN 0.268 nan 8.300 nan 0.000 0.475 436 N N -0.586 118.119 118.700 0.008 0.000 2.091 436 N HA -0.293 4.466 4.740 0.031 0.000 0.193 436 N C 1.488 176.915 175.510 -0.139 0.000 1.021 436 N CA 1.895 54.917 53.050 -0.046 0.000 0.862 436 N CB -0.734 37.766 38.487 0.022 0.000 1.018 436 N HN 0.609 nan 8.380 nan 0.000 0.429 437 W N 0.963 122.137 121.300 -0.210 0.000 2.409 437 W HA 0.089 4.767 4.660 0.031 0.000 0.299 437 W C 2.003 178.401 176.519 -0.201 0.000 1.203 437 W CA 0.550 57.791 57.345 -0.173 0.000 1.298 437 W CB -0.483 28.898 29.460 -0.133 0.000 1.127 437 W HN 0.056 nan 8.180 nan 0.000 0.528 438 L N 0.347 121.461 121.223 -0.182 0.000 1.990 438 L HA -0.263 4.095 4.340 0.031 0.000 0.213 438 L C 2.055 178.611 176.870 -0.525 0.000 1.072 438 L CA 2.318 56.965 54.840 -0.321 0.000 0.755 438 L CB -1.039 40.719 42.059 -0.500 0.000 0.889 438 L HN -0.060 nan 8.230 nan 0.000 0.432 439 V N 0.202 119.751 119.914 -0.608 0.000 2.343 439 V HA -0.297 3.842 4.120 0.031 0.000 0.247 439 V C 2.707 178.543 176.094 -0.429 0.000 1.051 439 V CA 2.214 64.198 62.300 -0.527 0.000 1.036 439 V CB -0.882 30.623 31.823 -0.529 0.000 0.654 439 V HN 0.549 nan 8.190 nan 0.000 0.451 440 R N 0.362 120.591 120.500 -0.451 0.000 2.127 440 R HA -0.227 4.131 4.340 0.031 0.000 0.238 440 R C 2.385 178.391 176.300 -0.490 0.000 1.134 440 R CA 1.835 57.692 56.100 -0.407 0.000 0.975 440 R CB -0.217 29.858 30.300 -0.376 0.000 0.865 440 R HN 0.381 nan 8.270 nan 0.000 0.447 441 R N 0.099 120.159 120.500 -0.733 0.000 2.090 441 R HA -0.012 4.347 4.340 0.031 0.000 0.228 441 R C 1.858 177.923 176.300 -0.392 0.000 1.110 441 R CA 1.563 57.216 56.100 -0.744 0.000 0.973 441 R CB -0.377 29.155 30.300 -1.279 0.000 0.869 441 R HN 0.162 nan 8.270 nan 0.000 0.440 442 V N 1.480 121.217 119.914 -0.294 0.000 2.427 442 V HA -0.196 3.943 4.120 0.031 0.000 0.248 442 V C 1.765 177.750 176.094 -0.182 0.000 1.051 442 V CA 1.929 64.126 62.300 -0.172 0.000 1.048 442 V CB -0.667 31.035 31.823 -0.203 0.000 0.666 442 V HN 0.380 nan 8.190 nan 0.000 0.456 443 N N 0.923 119.493 118.700 -0.218 0.000 2.205 443 N HA -0.195 4.564 4.740 0.031 0.000 0.186 443 N C 2.038 177.449 175.510 -0.164 0.000 1.015 443 N CA 2.080 55.021 53.050 -0.181 0.000 0.862 443 N CB -0.215 38.162 38.487 -0.184 0.000 0.986 443 N HN 0.676 nan 8.380 nan 0.000 0.429 444 K N 1.042 121.325 120.400 -0.195 0.000 2.025 444 K HA -0.080 4.258 4.320 0.031 0.000 0.207 444 K C 2.183 178.700 176.600 -0.139 0.000 1.049 444 K CA 1.852 58.036 56.287 -0.172 0.000 0.933 444 K CB -1.575 30.798 32.500 -0.213 0.000 0.714 444 K HN 0.536 nan 8.250 nan 0.000 0.438 445 T N -1.117 113.356 114.554 -0.135 0.000 3.055 445 T HA 0.126 4.495 4.350 0.031 0.000 0.265 445 T C 1.834 176.487 174.700 -0.079 0.000 1.111 445 T CA 0.864 62.907 62.100 -0.095 0.000 1.118 445 T CB -0.119 68.708 68.868 -0.068 0.000 0.909 445 T HN 0.284 nan 8.240 nan 0.000 0.501 446 L N 0.874 122.042 121.223 -0.092 0.000 2.558 446 L HA 0.232 4.591 4.340 0.031 0.000 0.225 446 L C 1.620 178.439 176.870 -0.085 0.000 1.128 446 L CA 0.281 55.068 54.840 -0.088 0.000 0.868 446 L CB -0.150 41.847 42.059 -0.104 0.000 1.006 446 L HN 0.164 nan 8.230 nan 0.000 0.454 447 D N 0.876 121.224 120.400 -0.087 0.000 2.856 447 D HA -0.048 4.611 4.640 0.031 0.000 0.242 447 D C 0.615 176.872 176.300 -0.070 0.000 1.226 447 D CA 0.053 54.004 54.000 -0.081 0.000 0.855 447 D CB -0.143 40.604 40.800 -0.088 0.000 1.065 447 D HN -0.059 nan 8.370 nan 0.000 0.462 448 T N 0.278 114.795 114.554 -0.062 0.000 2.933 448 T HA -0.070 4.298 4.350 0.031 0.000 0.306 448 T C 0.669 175.336 174.700 -0.056 0.000 1.045 448 T CA 0.022 62.090 62.100 -0.053 0.000 1.143 448 T CB 0.469 69.311 68.868 -0.043 0.000 1.003 448 T HN -0.105 nan 8.240 nan 0.000 0.540 449 K N 3.893 124.263 120.400 -0.051 0.000 3.165 449 K HA 0.515 4.853 4.320 0.031 0.000 0.259 449 K C 0.364 176.940 176.600 -0.041 0.000 1.282 449 K CA -0.223 56.032 56.287 -0.052 0.000 1.259 449 K CB -0.364 32.107 32.500 -0.047 0.000 1.546 449 K HN 0.695 nan 8.250 nan 0.000 0.384 450 A N 0.193 122.991 122.820 -0.037 0.000 2.246 450 A HA 0.612 4.950 4.320 0.031 0.000 0.291 450 A C -0.046 177.526 177.584 -0.020 0.000 1.103 450 A CA -0.549 51.475 52.037 -0.022 0.000 0.844 450 A CB 0.047 19.039 19.000 -0.013 0.000 1.136 450 A HN 0.412 nan 8.150 nan 0.000 0.500 451 K N 0.725 121.122 120.400 -0.005 0.000 2.436 451 K HA 0.421 4.760 4.320 0.031 0.000 0.282 451 K C -0.003 176.605 176.600 0.013 0.000 1.044 451 K CA 0.340 56.628 56.287 0.002 0.000 1.028 451 K CB -0.534 31.974 32.500 0.012 0.000 0.919 451 K HN 0.810 nan 8.250 nan 0.000 0.474 452 R N 0.096 120.595 120.500 -0.001 0.000 2.514 452 R HA 0.662 5.020 4.340 0.031 0.000 0.301 452 R C 0.888 177.222 176.300 0.057 0.000 0.962 452 R CA -0.182 55.928 56.100 0.016 0.000 0.882 452 R CB 1.056 31.291 30.300 -0.109 0.000 1.143 452 R HN 0.573 nan 8.270 nan 0.000 0.452 453 N N 0.314 119.093 118.700 0.132 0.000 2.677 453 N HA 0.192 4.951 4.740 0.031 0.000 0.242 453 N C -0.076 175.539 175.510 0.175 0.000 1.044 453 N CA 0.555 53.682 53.050 0.129 0.000 0.934 453 N CB 0.185 38.733 38.487 0.101 0.000 1.595 453 N HN 0.604 nan 8.380 nan 0.000 0.459 454 Y N -0.431 120.031 120.300 0.269 0.000 2.605 454 Y HA 0.770 5.339 4.550 0.031 0.000 0.343 454 Y C -1.179 175.018 175.900 0.495 0.000 1.036 454 Y CA -1.428 56.832 58.100 0.267 0.000 1.065 454 Y CB 1.074 39.629 38.460 0.159 0.000 1.288 454 Y HN 0.901 nan 8.280 nan 0.000 0.481 455 Y N 0.817 121.293 120.300 0.294 0.000 2.534 455 Y HA 0.816 5.384 4.550 0.030 0.000 0.345 455 Y C -1.456 174.521 175.900 0.129 0.000 1.031 455 Y CA -3.478 54.688 58.100 0.110 0.000 1.022 455 Y CB 1.112 39.375 38.460 -0.329 0.000 1.292 455 Y HN 0.513 nan 8.280 nan 0.000 0.459 456 I N 3.924 124.766 120.570 0.452 0.000 2.388 456 I HA 0.372 4.561 4.170 0.031 0.000 0.281 456 I C 0.562 176.784 176.117 0.175 0.000 1.046 456 I CA -0.509 60.980 61.300 0.315 0.000 1.187 456 I CB 0.658 38.824 38.000 0.276 0.000 1.351 456 I HN 0.967 nan 8.210 nan 0.000 0.472 457 G N 5.866 114.853 108.800 0.312 0.000 2.355 457 G HA2 0.442 4.421 3.960 0.031 0.000 0.276 457 G HA3 0.442 4.421 3.960 0.031 0.000 0.276 457 G C -0.348 174.548 174.900 -0.007 0.000 1.198 457 G CA -0.153 44.899 45.100 -0.080 0.000 0.876 457 G HN 0.310 nan 8.290 nan 0.000 0.478 458 V N 4.074 123.829 119.914 -0.265 0.000 2.417 458 V HA 0.399 4.537 4.120 0.031 0.000 0.291 458 V C 0.155 176.301 176.094 0.086 0.000 1.024 458 V CA -0.719 61.555 62.300 -0.043 0.000 0.861 458 V CB 1.560 33.339 31.823 -0.073 0.000 0.985 458 V HN 0.632 nan 8.190 nan 0.000 0.436 459 L N 3.757 125.134 121.223 0.256 0.000 2.307 459 L HA 0.610 4.968 4.340 0.031 0.000 0.284 459 L C -0.718 176.214 176.870 0.103 0.000 1.023 459 L CA -0.268 54.753 54.840 0.301 0.000 0.810 459 L CB 1.797 43.956 42.059 0.166 0.000 1.231 459 L HN 0.684 nan 8.230 nan 0.000 0.423 460 D N 4.457 124.909 120.400 0.087 0.000 2.613 460 D HA 0.256 4.915 4.640 0.031 0.000 0.312 460 D C -0.778 175.509 176.300 -0.023 0.000 1.202 460 D CA -0.266 53.740 54.000 0.011 0.000 0.825 460 D CB 0.500 41.291 40.800 -0.016 0.000 1.113 460 D HN 0.208 nan 8.370 nan 0.000 0.502 461 I N 0.656 121.217 120.570 -0.014 0.000 3.076 461 I HA 0.702 4.891 4.170 0.031 0.000 0.313 461 I C 1.513 177.604 176.117 -0.044 0.000 1.053 461 I CA -0.682 60.600 61.300 -0.031 0.000 1.048 461 I CB 1.314 39.290 38.000 -0.040 0.000 1.264 461 I HN 0.164 nan 8.210 nan 0.000 0.498 462 A N 3.176 125.972 122.820 -0.041 0.000 1.885 462 A HA 0.293 4.632 4.320 0.031 0.000 0.215 462 A C 1.285 178.853 177.584 -0.027 0.000 1.255 462 A CA 1.952 53.970 52.037 -0.031 0.000 0.692 462 A CB -1.649 17.346 19.000 -0.009 0.000 0.842 462 A HN 2.116 nan 8.150 nan 0.000 0.465 463 G N -5.179 103.604 108.800 -0.028 0.000 2.384 463 G HA2 0.462 4.441 3.960 0.031 0.000 0.668 463 G HA3 0.462 4.441 3.960 0.031 0.000 0.668 463 G C -0.371 174.502 174.900 -0.044 0.000 1.280 463 G CA -0.481 44.597 45.100 -0.036 0.000 0.992 463 G HN 1.774 nan 8.290 nan 0.000 0.512 464 F N -0.455 119.454 119.950 -0.069 0.000 2.408 464 F HA 0.996 5.541 4.527 0.031 0.000 0.344 464 F C 0.455 176.168 175.800 -0.144 0.000 1.112 464 F CA 0.734 58.676 58.000 -0.096 0.000 1.096 464 F CB 0.960 39.901 39.000 -0.098 0.000 1.129 464 F HN 1.875 nan 8.300 nan 0.000 0.486 465 E N 2.271 122.337 120.200 -0.223 0.000 2.256 465 E HA 0.703 5.072 4.350 0.031 0.000 0.268 465 E C -1.258 174.806 176.600 -0.894 0.000 0.877 465 E CA -0.616 55.492 56.400 -0.487 0.000 0.757 465 E CB 1.847 31.317 29.700 -0.383 0.000 1.183 465 E HN 0.942 nan 8.360 nan 0.000 0.418 466 I N 3.178 123.253 120.570 -0.825 0.000 2.411 466 I HA 0.638 4.826 4.170 0.031 0.000 0.284 466 I C -1.003 174.759 176.117 -0.593 0.000 1.012 466 I CA -0.732 60.201 61.300 -0.612 0.000 1.119 466 I CB 0.624 38.493 38.000 -0.218 0.000 1.261 466 I HN 0.583 nan 8.210 nan 0.000 0.448 467 F N 2.139 122.123 119.950 0.056 0.000 2.613 467 F HA 0.435 4.983 4.527 0.035 0.000 0.342 467 F C 0.782 176.640 175.800 0.097 0.000 1.066 467 F CA -1.598 56.441 58.000 0.066 0.000 1.002 467 F CB 0.088 39.125 39.000 0.062 0.000 1.319 467 F HN 0.235 nan 8.300 nan 0.000 0.495 468 D N 0.022 120.627 120.400 0.342 0.000 2.348 468 D HA 0.086 4.744 4.640 0.031 0.000 0.248 468 D C -1.020 175.505 176.300 0.375 0.000 1.142 468 D CA 1.138 55.296 54.000 0.263 0.000 0.904 468 D CB -0.399 40.508 40.800 0.179 0.000 0.901 468 D HN 0.314 nan 8.370 nan 0.000 0.523 469 F N 0.908 120.992 119.950 0.223 0.000 2.770 469 F HA 0.187 4.732 4.527 0.031 0.000 0.334 469 F C -1.947 173.994 175.800 0.235 0.000 1.116 469 F CA -1.004 57.100 58.000 0.173 0.000 1.152 469 F CB 0.449 39.497 39.000 0.080 0.000 1.418 469 F HN -0.181 nan 8.300 nan 0.000 0.618 470 N N 5.151 123.681 118.700 -0.284 0.000 2.540 470 N HA 0.429 5.188 4.740 0.031 0.000 0.275 470 N C -1.086 174.142 175.510 -0.470 0.000 1.053 470 N CA -0.543 52.370 53.050 -0.229 0.000 0.876 470 N CB 2.263 40.904 38.487 0.258 0.000 1.284 470 N HN 0.491 nan 8.380 nan 0.000 0.518 471 S N 1.344 116.683 115.700 -0.601 0.000 2.694 471 S HA 0.323 4.811 4.470 0.031 0.000 0.286 471 S C 0.941 175.330 174.600 -0.352 0.000 1.080 471 S CA -0.441 57.620 58.200 -0.233 0.000 0.953 471 S CB 0.324 63.570 63.200 0.078 0.000 1.313 471 S HN 0.401 nan 8.310 nan 0.000 0.555 472 F N 2.538 121.954 119.950 -0.889 0.000 2.063 472 F HA -0.115 4.431 4.527 0.031 0.000 0.298 472 F C 2.640 178.057 175.800 -0.638 0.000 1.105 472 F CA 3.014 60.290 58.000 -1.207 0.000 1.215 472 F CB -1.344 36.469 39.000 -1.978 0.000 0.972 472 F HN 0.761 nan 8.300 nan 0.000 0.483 473 E N 0.029 120.130 120.200 -0.166 0.000 2.110 473 E HA -0.231 4.137 4.350 0.031 0.000 0.193 473 E C 1.686 178.317 176.600 0.052 0.000 0.988 473 E CA 1.491 57.791 56.400 -0.167 0.000 0.804 473 E CB -1.067 28.437 29.700 -0.326 0.000 0.745 473 E HN 0.575 nan 8.360 nan 0.000 0.458 474 Q N -0.596 119.167 119.800 -0.061 0.000 2.344 474 Q HA 0.324 4.682 4.340 0.031 0.000 0.212 474 Q C 1.488 177.463 176.000 -0.041 0.000 0.943 474 Q CA 0.310 56.118 55.803 0.009 0.000 0.955 474 Q CB 0.011 28.728 28.738 -0.036 0.000 1.000 474 Q HN 0.698 nan 8.270 nan 0.000 0.488 475 L N -2.393 118.797 121.223 -0.055 0.000 2.600 475 L HA 0.027 4.385 4.340 0.031 0.000 0.213 475 L C 1.220 178.140 176.870 0.083 0.000 1.045 475 L CA 0.444 55.213 54.840 -0.117 0.000 0.863 475 L CB -0.082 41.778 42.059 -0.331 0.000 1.189 475 L HN 0.276 nan 8.230 nan 0.000 0.484 476 C N 0.654 120.041 119.300 0.145 0.000 2.422 476 C HA -0.043 4.435 4.460 0.031 0.000 0.279 476 C C 2.519 177.667 174.990 0.263 0.000 1.305 476 C CA -0.078 59.120 59.018 0.299 0.000 1.757 476 C CB -1.179 26.813 27.740 0.421 0.000 1.962 476 C HN 0.539 nan 8.230 nan 0.000 0.499 477 I N 2.709 123.377 120.570 0.163 0.000 2.286 477 I HA -0.164 4.025 4.170 0.031 0.000 0.248 477 I C 2.159 178.315 176.117 0.064 0.000 1.115 477 I CA 1.572 62.934 61.300 0.102 0.000 1.392 477 I CB -0.929 37.124 38.000 0.087 0.000 1.065 477 I HN 0.445 nan 8.210 nan 0.000 0.418 478 N N -0.909 117.829 118.700 0.063 0.000 2.173 478 N HA -0.222 4.537 4.740 0.031 0.000 0.184 478 N C 1.976 177.538 175.510 0.086 0.000 1.025 478 N CA 0.891 53.938 53.050 -0.006 0.000 0.852 478 N CB -0.402 38.000 38.487 -0.141 0.000 0.998 478 N HN 0.294 nan 8.380 nan 0.000 0.427 479 Y N 2.310 122.642 120.300 0.053 0.000 2.151 479 Y HA -0.216 4.352 4.550 0.030 0.000 0.284 479 Y C 2.100 178.020 175.900 0.032 0.000 1.166 479 Y CA 1.464 59.605 58.100 0.068 0.000 1.163 479 Y CB -0.828 37.669 38.460 0.062 0.000 0.974 479 Y HN -0.037 nan 8.280 nan 0.000 0.511 480 T N 0.865 115.305 114.554 -0.189 0.000 2.951 480 T HA -0.130 4.239 4.350 0.031 0.000 0.268 480 T C 1.692 176.255 174.700 -0.229 0.000 1.073 480 T CA 1.282 63.181 62.100 -0.335 0.000 1.134 480 T CB -0.208 68.605 68.868 -0.092 0.000 0.884 480 T HN 0.451 nan 8.240 nan 0.000 0.479 481 N N 0.758 119.392 118.700 -0.110 0.000 2.250 481 N HA -0.040 4.718 4.740 0.031 0.000 0.181 481 N C 1.970 177.454 175.510 -0.042 0.000 1.017 481 N CA 0.809 53.818 53.050 -0.069 0.000 0.866 481 N CB -0.094 38.369 38.487 -0.040 0.000 0.985 481 N HN 0.358 nan 8.380 nan 0.000 0.429 482 E N 1.404 121.591 120.200 -0.023 0.000 2.070 482 E HA -0.107 4.262 4.350 0.031 0.000 0.197 482 E C 1.940 178.542 176.600 0.004 0.000 1.004 482 E CA 1.173 57.592 56.400 0.031 0.000 0.805 482 E CB 0.102 29.866 29.700 0.108 0.000 0.744 482 E HN 0.136 nan 8.360 nan 0.000 0.451 483 R N -0.056 120.379 120.500 -0.107 0.000 2.117 483 R HA -0.135 4.223 4.340 0.031 0.000 0.243 483 R C 2.444 178.739 176.300 -0.007 0.000 1.143 483 R CA 1.040 57.078 56.100 -0.103 0.000 0.968 483 R CB -0.837 29.280 30.300 -0.306 0.000 0.863 483 R HN 0.336 nan 8.270 nan 0.000 0.444 484 L N 0.653 121.856 121.223 -0.034 0.000 2.362 484 L HA -0.159 4.200 4.340 0.031 0.000 0.219 484 L C 2.393 179.399 176.870 0.226 0.000 1.134 484 L CA 0.862 55.735 54.840 0.055 0.000 0.807 484 L CB -0.226 41.830 42.059 -0.005 0.000 0.927 484 L HN 0.131 nan 8.230 nan 0.000 0.447 485 Q N -0.219 119.690 119.800 0.181 0.000 2.163 485 Q HA -0.131 4.228 4.340 0.031 0.000 0.198 485 Q C 2.175 178.389 176.000 0.356 0.000 0.954 485 Q CA 1.201 57.150 55.803 0.244 0.000 0.851 485 Q CB 0.103 28.905 28.738 0.107 0.000 0.928 485 Q HN 0.404 nan 8.270 nan 0.000 0.459 486 Q N -0.993 118.981 119.800 0.289 0.000 2.096 486 Q HA -0.178 4.180 4.340 0.031 0.000 0.204 486 Q C 1.683 177.966 176.000 0.472 0.000 0.982 486 Q CA 1.497 57.498 55.803 0.332 0.000 0.850 486 Q CB -0.220 28.690 28.738 0.287 0.000 0.901 486 Q HN 0.423 nan 8.270 nan 0.000 0.422 487 F N 0.214 120.364 119.950 0.333 0.000 2.407 487 F HA -0.131 4.414 4.527 0.031 0.000 0.299 487 F C 1.728 177.825 175.800 0.495 0.000 1.097 487 F CA 0.533 58.745 58.000 0.354 0.000 1.422 487 F CB -0.017 38.985 39.000 0.003 0.000 1.067 487 F HN 0.021 nan 8.300 nan 0.000 0.539 488 F N 1.226 121.418 119.950 0.404 0.000 2.118 488 F HA -0.078 4.468 4.527 0.032 0.000 0.293 488 F C 1.947 177.878 175.800 0.219 0.000 1.102 488 F CA 1.678 59.870 58.000 0.320 0.000 1.247 488 F CB -0.651 38.502 39.000 0.256 0.000 1.017 488 F HN -0.159 nan 8.300 nan 0.000 0.475 489 N N -0.611 118.309 118.700 0.366 0.000 2.412 489 N HA -0.128 4.630 4.740 0.031 0.000 0.184 489 N C 1.797 177.447 175.510 0.232 0.000 1.101 489 N CA 0.531 53.748 53.050 0.279 0.000 0.881 489 N CB -0.768 38.040 38.487 0.536 0.000 0.969 489 N HN 0.480 nan 8.380 nan 0.000 0.459 490 H N 1.076 120.210 119.070 0.107 0.000 2.421 490 H HA -0.076 4.499 4.556 0.031 0.000 0.298 490 H C 0.698 175.910 175.328 -0.192 0.000 1.087 490 H CA 1.365 57.418 56.048 0.008 0.000 1.330 490 H CB 0.093 29.852 29.762 -0.005 0.000 1.388 490 H HN 0.321 nan 8.280 nan 0.000 0.526 491 H N -0.898 118.187 119.070 0.025 0.000 2.539 491 H HA 0.050 4.625 4.556 0.030 0.000 0.269 491 H C 1.500 176.731 175.328 -0.161 0.000 0.980 491 H CA 0.162 56.162 56.048 -0.081 0.000 1.152 491 H CB 0.728 30.377 29.762 -0.189 0.000 1.407 491 H HN 0.346 nan 8.280 nan 0.000 0.564 492 M N -1.103 118.468 119.600 -0.048 0.000 2.718 492 M HA -0.021 4.477 4.480 0.031 0.000 0.259 492 M C 2.047 178.423 176.300 0.127 0.000 1.240 492 M CA 0.378 55.704 55.300 0.044 0.000 1.210 492 M CB -1.183 31.462 32.600 0.076 0.000 1.281 492 M HN 0.125 nan 8.290 nan 0.000 0.515 493 F N 1.656 121.555 119.950 -0.086 0.000 2.236 493 F HA -0.268 4.277 4.527 0.030 0.000 0.302 493 F C 1.714 177.251 175.800 -0.439 0.000 1.073 493 F CA 0.911 58.642 58.000 -0.449 0.000 1.336 493 F CB 0.241 38.932 39.000 -0.514 0.000 1.040 493 F HN -0.000 nan 8.300 nan 0.000 0.507 494 I N -0.307 120.079 120.570 -0.307 0.000 2.585 494 I HA -0.120 4.069 4.170 0.031 0.000 0.254 494 I C 2.010 177.974 176.117 -0.256 0.000 1.129 494 I CA 0.762 61.846 61.300 -0.359 0.000 1.455 494 I CB -1.364 36.499 38.000 -0.228 0.000 1.111 494 I HN 0.241 nan 8.210 nan 0.000 0.433 495 L N 0.755 121.900 121.223 -0.130 0.000 2.492 495 L HA 0.038 4.396 4.340 0.031 0.000 0.223 495 L C 2.066 178.861 176.870 -0.125 0.000 1.132 495 L CA 1.390 56.182 54.840 -0.081 0.000 0.850 495 L CB -0.560 41.505 42.059 0.010 0.000 0.966 495 L HN 0.011 nan 8.230 nan 0.000 0.454 496 E N 0.108 120.182 120.200 -0.209 0.000 2.107 496 E HA -0.168 4.201 4.350 0.031 0.000 0.191 496 E C 1.779 177.997 176.600 -0.637 0.000 0.982 496 E CA 1.171 57.401 56.400 -0.284 0.000 0.809 496 E CB -0.097 29.399 29.700 -0.338 0.000 0.756 496 E HN 0.669 nan 8.360 nan 0.000 0.459 497 Q N -0.700 118.590 119.800 -0.850 0.000 2.373 497 Q HA 0.114 4.472 4.340 0.031 0.000 0.206 497 Q C 1.164 176.941 176.000 -0.372 0.000 0.942 497 Q CA 0.754 55.975 55.803 -0.971 0.000 0.953 497 Q CB 0.453 28.636 28.738 -0.927 0.000 1.022 497 Q HN 0.370 nan 8.270 nan 0.000 0.502 498 E N 1.408 121.473 120.200 -0.225 0.000 2.479 498 E HA -0.018 4.351 4.350 0.031 0.000 0.193 498 E C 0.579 177.182 176.600 0.005 0.000 1.049 498 E CA 0.252 56.601 56.400 -0.085 0.000 0.870 498 E CB 0.169 29.830 29.700 -0.066 0.000 0.944 498 E HN 0.381 nan 8.360 nan 0.000 0.492 499 E N -1.285 118.968 120.200 0.089 0.000 3.254 499 E HA 0.171 4.540 4.350 0.031 0.000 0.184 499 E C -0.744 176.021 176.600 0.275 0.000 0.967 499 E CA -0.136 56.348 56.400 0.141 0.000 1.311 499 E CB 0.501 30.268 29.700 0.112 0.000 1.071 499 E HN 0.487 nan 8.360 nan 0.000 0.456 500 Y N -0.131 120.130 120.300 -0.064 0.000 2.626 500 Y HA 0.207 4.775 4.550 0.029 0.000 0.248 500 Y C 1.638 177.505 175.900 -0.056 0.000 1.147 500 Y CA -0.074 57.994 58.100 -0.054 0.000 1.219 500 Y CB 0.864 39.270 38.460 -0.090 0.000 1.279 500 Y HN 0.053 nan 8.280 nan 0.000 0.541 501 K N -0.253 120.217 120.400 0.117 0.000 2.638 501 K HA 0.133 4.472 4.320 0.031 0.000 0.207 501 K C 1.856 178.474 176.600 0.030 0.000 1.429 501 K CA 0.536 56.848 56.287 0.042 0.000 0.957 501 K CB 0.024 32.530 32.500 0.010 0.000 1.733 501 K HN -0.192 nan 8.250 nan 0.000 0.474 502 K N 1.241 121.662 120.400 0.035 0.000 2.059 502 K HA -0.151 4.187 4.320 0.031 0.000 0.212 502 K C 0.269 176.875 176.600 0.010 0.000 1.050 502 K CA 2.226 58.526 56.287 0.021 0.000 0.927 502 K CB -0.346 32.169 32.500 0.024 0.000 0.714 502 K HN 0.343 nan 8.250 nan 0.000 0.447 503 E N 0.209 120.412 120.200 0.005 0.000 2.101 503 E HA 0.367 4.736 4.350 0.031 0.000 0.260 503 E C 0.014 176.592 176.600 -0.037 0.000 0.897 503 E CA -0.259 56.129 56.400 -0.021 0.000 0.744 503 E CB 0.521 30.194 29.700 -0.046 0.000 1.140 503 E HN 0.491 nan 8.360 nan 0.000 0.419 504 G N 2.229 111.014 108.800 -0.026 0.000 2.452 504 G HA2 0.330 4.309 3.960 0.031 0.000 0.290 504 G HA3 0.330 4.309 3.960 0.031 0.000 0.290 504 G C 0.249 175.114 174.900 -0.059 0.000 0.717 504 G CA 1.184 46.266 45.100 -0.030 0.000 1.967 504 G HN 1.221 nan 8.290 nan 0.000 0.471 505 I N -1.068 119.455 120.570 -0.078 0.000 2.775 505 I HA 0.782 4.971 4.170 0.031 0.000 0.295 505 I C -0.369 175.689 176.117 -0.098 0.000 1.287 505 I CA -2.029 59.193 61.300 -0.131 0.000 1.029 505 I CB 1.736 39.599 38.000 -0.227 0.000 1.282 505 I HN 0.345 nan 8.210 nan 0.000 0.426 506 A N 4.142 126.915 122.820 -0.078 0.000 2.331 506 A HA 0.804 5.143 4.320 0.031 0.000 0.320 506 A C -1.411 176.179 177.584 0.010 0.000 1.138 506 A CA -0.423 51.624 52.037 0.017 0.000 0.790 506 A CB 0.633 19.639 19.000 0.010 0.000 1.206 506 A HN 0.848 nan 8.150 nan 0.000 0.470 507 W N 0.842 122.109 121.300 -0.055 0.000 2.758 507 W HA 0.486 5.164 4.660 0.030 0.000 0.355 507 W C 0.923 177.452 176.519 0.017 0.000 1.223 507 W CA -0.491 56.828 57.345 -0.044 0.000 1.182 507 W CB 0.913 30.357 29.460 -0.028 0.000 1.464 507 W HN 0.901 nan 8.180 nan 0.000 0.630 512 F N -0.193 119.727 119.950 -0.052 0.000 2.695 512 F HA 0.612 5.157 4.527 0.029 0.000 0.303 512 F C 1.219 177.053 175.800 0.057 0.000 1.091 512 F CA 0.176 58.189 58.000 0.022 0.000 1.300 512 F CB 1.345 40.373 39.000 0.046 0.000 1.071 512 F HN 0.579 nan 8.300 nan 0.000 0.578 513 G N 1.534 109.955 108.800 -0.631 0.000 3.541 513 G HA2 0.165 4.144 3.960 0.031 0.000 0.236 513 G HA3 0.165 4.144 3.960 0.031 0.000 0.236 513 G C -0.644 173.897 174.900 -0.599 0.000 3.926 513 G CA -0.524 44.293 45.100 -0.471 0.000 0.465 513 G HN 0.151 nan 8.290 nan 0.000 0.274 514 M N 0.607 119.975 119.600 -0.387 0.000 2.404 514 M HA 0.313 4.812 4.480 0.031 0.000 0.271 514 M C 0.889 177.102 176.300 -0.145 0.000 1.128 514 M CA 0.195 55.339 55.300 -0.261 0.000 0.982 514 M CB 0.400 32.906 32.600 -0.157 0.000 1.445 514 M HN 0.238 nan 8.290 nan 0.000 0.495 515 D N -1.360 118.956 120.400 -0.140 0.000 2.454 515 D HA 0.042 4.701 4.640 0.031 0.000 0.214 515 D C 1.585 177.829 176.300 -0.093 0.000 1.088 515 D CA 0.055 53.995 54.000 -0.100 0.000 0.855 515 D CB -0.331 40.410 40.800 -0.097 0.000 1.025 515 D HN 0.259 nan 8.370 nan 0.000 0.502 516 L N 0.563 121.720 121.223 -0.110 0.000 2.012 516 L HA -0.113 4.245 4.340 0.031 0.000 0.210 516 L C 1.996 178.844 176.870 -0.037 0.000 1.073 516 L CA 1.634 56.429 54.840 -0.076 0.000 0.748 516 L CB -0.257 41.745 42.059 -0.095 0.000 0.891 516 L HN -0.078 nan 8.230 nan 0.000 0.431 517 Q N -0.968 118.804 119.800 -0.047 0.000 2.472 517 Q HA -0.104 4.254 4.340 0.031 0.000 0.208 517 Q C 1.795 177.795 176.000 0.001 0.000 0.958 517 Q CA 0.749 56.549 55.803 -0.004 0.000 0.932 517 Q CB 0.107 28.840 28.738 -0.008 0.000 1.007 517 Q HN 0.549 nan 8.270 nan 0.000 0.508 518 M N -1.314 118.269 119.600 -0.027 0.000 2.495 518 M HA -0.001 4.498 4.480 0.031 0.000 0.237 518 M C 1.402 177.679 176.300 -0.039 0.000 1.131 518 M CA 0.087 55.371 55.300 -0.028 0.000 1.032 518 M CB 0.129 32.697 32.600 -0.052 0.000 1.513 518 M HN 0.184 nan 8.290 nan 0.000 0.488 519 C N -0.522 118.764 119.300 -0.024 0.000 2.370 519 C HA 0.138 4.616 4.460 0.031 0.000 0.348 519 C C 2.392 177.411 174.990 0.048 0.000 1.477 519 C CA -0.159 58.843 59.018 -0.026 0.000 2.302 519 C CB -0.514 27.200 27.740 -0.043 0.000 2.220 519 C HN 0.549 nan 8.230 nan 0.000 0.625 520 I N 1.989 122.610 120.570 0.084 0.000 2.091 520 I HA -0.242 3.946 4.170 0.031 0.000 0.240 520 I C 2.203 178.398 176.117 0.130 0.000 1.046 520 I CA 2.212 63.604 61.300 0.154 0.000 1.306 520 I CB -1.497 36.576 38.000 0.122 0.000 1.018 520 I HN 0.479 nan 8.210 nan 0.000 0.404 521 D N 0.429 120.877 120.400 0.081 0.000 2.077 521 D HA -0.175 4.483 4.640 0.031 0.000 0.193 521 D C 2.176 178.512 176.300 0.060 0.000 0.989 521 D CA 1.020 55.061 54.000 0.068 0.000 0.831 521 D CB -0.447 40.388 40.800 0.058 0.000 0.979 521 D HN 0.172 nan 8.370 nan 0.000 0.449 522 L N 0.914 122.168 121.223 0.051 0.000 2.113 522 L HA -0.307 4.051 4.340 0.031 0.000 0.221 522 L C 2.421 179.309 176.870 0.029 0.000 1.084 522 L CA 2.624 57.491 54.840 0.046 0.000 0.787 522 L CB -0.887 41.157 42.059 -0.025 0.000 0.893 522 L HN 0.188 nan 8.230 nan 0.000 0.440 523 I N -0.581 119.999 120.570 0.016 0.000 2.315 523 I HA -0.134 4.055 4.170 0.031 0.000 0.233 523 I C 2.458 178.519 176.117 -0.092 0.000 1.067 523 I CA 1.506 62.782 61.300 -0.041 0.000 1.376 523 I CB -1.466 36.509 38.000 -0.041 0.000 1.143 523 I HN 0.585 nan 8.210 nan 0.000 0.421 524 E N 1.873 122.028 120.200 -0.074 0.000 2.274 524 E HA -0.167 4.201 4.350 0.031 0.000 0.194 524 E C 1.141 177.740 176.600 -0.002 0.000 0.996 524 E CA 0.632 56.995 56.400 -0.062 0.000 0.840 524 E CB -0.541 29.201 29.700 0.070 0.000 0.772 524 E HN 0.819 nan 8.360 nan 0.000 0.491 525 K N 1.268 121.682 120.400 0.022 0.000 2.416 525 K HA 0.096 4.434 4.320 0.031 0.000 0.283 525 K C -1.998 174.609 176.600 0.011 0.000 1.037 525 K CA -1.282 55.020 56.287 0.026 0.000 0.995 525 K CB 0.849 33.372 32.500 0.039 0.000 0.938 525 K HN -0.282 nan 8.250 nan 0.000 0.475 526 P HA -0.258 nan 4.420 nan 0.000 0.225 526 P C 0.521 177.819 177.300 -0.004 0.000 1.155 526 P CA 1.740 64.842 63.100 0.002 0.000 0.863 526 P CB 0.045 31.747 31.700 0.004 0.000 0.774 527 M N -1.813 117.781 119.600 -0.011 0.000 2.778 527 M HA 0.335 4.834 4.480 0.031 0.000 0.359 527 M C 0.348 176.644 176.300 -0.007 0.000 1.216 527 M CA -0.331 54.957 55.300 -0.019 0.000 0.935 527 M CB 0.527 33.098 32.600 -0.049 0.000 1.330 527 M HN -0.219 nan 8.290 nan 0.000 0.516 528 G N 0.008 108.809 108.800 0.002 0.000 2.537 528 G HA2 0.364 4.343 3.960 0.031 0.000 0.323 528 G HA3 0.364 4.343 3.960 0.031 0.000 0.323 528 G C 0.896 175.792 174.900 -0.007 0.000 1.207 528 G CA -0.641 44.464 45.100 0.007 0.000 0.976 528 G HN 0.454 nan 8.290 nan 0.000 0.487 529 I N -0.271 120.294 120.570 -0.009 0.000 2.203 529 I HA -0.288 3.900 4.170 0.031 0.000 0.237 529 I C 2.215 178.323 176.117 -0.015 0.000 0.993 529 I CA 2.490 63.784 61.300 -0.010 0.000 1.277 529 I CB -0.468 37.526 38.000 -0.010 0.000 0.984 529 I HN 0.424 nan 8.210 nan 0.000 0.402 530 L N 2.363 123.552 121.223 -0.056 0.000 1.970 530 L HA -0.183 4.176 4.340 0.031 0.000 0.212 530 L C 2.884 179.742 176.870 -0.019 0.000 1.071 530 L CA 3.162 57.964 54.840 -0.064 0.000 0.751 530 L CB -1.470 40.505 42.059 -0.139 0.000 0.889 530 L HN 0.574 nan 8.230 nan 0.000 0.432 531 S N -1.210 114.479 115.700 -0.018 0.000 2.528 531 S HA -0.092 4.397 4.470 0.031 0.000 0.244 531 S C 1.847 176.453 174.600 0.011 0.000 0.982 531 S CA 1.973 60.172 58.200 -0.001 0.000 0.953 531 S CB -0.729 62.470 63.200 -0.002 0.000 0.754 531 S HN 0.583 nan 8.310 nan 0.000 0.529 532 I N -0.659 119.919 120.570 0.013 0.000 3.366 532 I HA 0.079 4.268 4.170 0.031 0.000 0.267 532 I C 2.714 178.856 176.117 0.042 0.000 1.149 532 I CA 0.663 61.976 61.300 0.022 0.000 1.436 532 I CB -0.465 37.543 38.000 0.012 0.000 1.379 532 I HN 0.243 nan 8.210 nan 0.000 0.460 533 L N 0.641 121.898 121.223 0.055 0.000 2.263 533 L HA -0.173 4.185 4.340 0.031 0.000 0.216 533 L C 2.169 179.098 176.870 0.098 0.000 1.111 533 L CA 2.296 57.197 54.840 0.102 0.000 0.773 533 L CB -1.391 40.759 42.059 0.152 0.000 0.906 533 L HN 0.307 nan 8.230 nan 0.000 0.439 534 E N -0.632 119.609 120.200 0.069 0.000 2.102 534 E HA -0.111 4.258 4.350 0.031 0.000 0.190 534 E C 2.035 178.670 176.600 0.059 0.000 0.971 534 E CA 0.948 57.385 56.400 0.062 0.000 0.821 534 E CB 0.206 29.931 29.700 0.041 0.000 0.777 534 E HN 0.998 nan 8.360 nan 0.000 0.460 535 E N 1.426 121.654 120.200 0.046 0.000 2.021 535 E HA -0.086 4.282 4.350 0.031 0.000 0.191 535 E C 1.317 177.943 176.600 0.043 0.000 0.971 535 E CA 0.944 57.369 56.400 0.041 0.000 0.825 535 E CB -0.377 29.340 29.700 0.028 0.000 0.788 535 E HN 0.019 nan 8.360 nan 0.000 0.460 536 E N 1.322 121.544 120.200 0.036 0.000 2.778 536 E HA 0.259 4.627 4.350 0.031 0.000 0.318 536 E C 0.056 176.683 176.600 0.046 0.000 1.309 536 E CA 0.314 56.733 56.400 0.033 0.000 1.419 536 E CB -1.419 28.293 29.700 0.019 0.000 1.150 536 E HN 0.505 nan 8.360 nan 0.000 0.492 542 A N 1.289 124.126 122.820 0.029 0.000 2.438 542 A HA 0.525 4.863 4.320 0.031 0.000 0.280 542 A C -0.218 177.385 177.584 0.031 0.000 1.160 542 A CA 0.367 52.423 52.037 0.031 0.000 0.821 542 A CB -0.034 18.993 19.000 0.045 0.000 1.101 542 A HN 0.508 nan 8.150 nan 0.000 0.515 543 D N 0.904 121.315 120.400 0.019 0.000 2.614 543 D HA 0.126 4.785 4.640 0.031 0.000 0.264 543 D C 0.189 176.486 176.300 -0.004 0.000 1.092 543 D CA -0.609 53.400 54.000 0.015 0.000 1.071 543 D CB 1.484 42.290 40.800 0.010 0.000 1.443 543 D HN 0.547 nan 8.370 nan 0.000 0.528 544 D N 0.009 120.398 120.400 -0.018 0.000 2.149 544 D HA -0.222 4.437 4.640 0.031 0.000 0.194 544 D C 1.434 177.672 176.300 -0.104 0.000 1.001 544 D CA 1.946 55.906 54.000 -0.067 0.000 0.849 544 D CB 0.428 41.181 40.800 -0.078 0.000 0.939 544 D HN 0.396 nan 8.370 nan 0.000 0.449 545 K N 0.022 120.377 120.400 -0.076 0.000 2.354 545 K HA 0.087 4.426 4.320 0.031 0.000 0.194 545 K C 1.974 178.541 176.600 -0.054 0.000 1.045 545 K CA 0.825 57.064 56.287 -0.080 0.000 1.026 545 K CB -0.392 32.071 32.500 -0.062 0.000 0.866 545 K HN 0.248 nan 8.250 nan 0.000 0.530 546 S N -0.231 115.448 115.700 -0.036 0.000 2.370 546 S HA -0.128 4.361 4.470 0.031 0.000 0.226 546 S C 2.204 176.787 174.600 -0.028 0.000 1.033 546 S CA 1.618 59.805 58.200 -0.022 0.000 1.011 546 S CB -1.237 61.958 63.200 -0.008 0.000 0.852 546 S HN 0.885 nan 8.310 nan 0.000 0.457 547 F N 1.339 121.265 119.950 -0.039 0.000 2.293 547 F HA 0.333 4.879 4.527 0.031 0.000 0.297 547 F C 3.204 178.956 175.800 -0.081 0.000 1.089 547 F CA 1.122 59.093 58.000 -0.049 0.000 1.377 547 F CB -1.668 37.301 39.000 -0.051 0.000 1.051 547 F HN 0.641 nan 8.300 nan 0.000 0.511 548 Q N 0.528 120.266 119.800 -0.103 0.000 2.331 548 Q HA 0.055 4.413 4.340 0.031 0.000 0.203 548 Q C 1.664 177.617 176.000 -0.077 0.000 0.944 548 Q CA 1.851 57.580 55.803 -0.124 0.000 0.892 548 Q CB -2.058 26.577 28.738 -0.171 0.000 0.983 548 Q HN 0.839 nan 8.270 nan 0.000 0.482 549 D N 0.688 121.054 120.400 -0.056 0.000 2.084 549 D HA -0.094 4.565 4.640 0.031 0.000 0.196 549 D C 2.398 178.682 176.300 -0.026 0.000 0.985 549 D CA 2.986 56.965 54.000 -0.035 0.000 0.826 549 D CB -0.819 39.965 40.800 -0.027 0.000 0.978 549 D HN 0.722 nan 8.370 nan 0.000 0.456 550 K N 0.485 120.870 120.400 -0.025 0.000 2.044 550 K HA -0.034 4.304 4.320 0.031 0.000 0.210 550 K C 2.453 179.046 176.600 -0.013 0.000 1.049 550 K CA 1.538 57.815 56.287 -0.016 0.000 0.927 550 K CB -1.397 31.095 32.500 -0.014 0.000 0.713 550 K HN 0.588 nan 8.250 nan 0.000 0.443 551 L N -0.697 120.514 121.223 -0.020 0.000 1.963 551 L HA -0.269 4.090 4.340 0.031 0.000 0.220 551 L C 3.171 180.040 176.870 -0.002 0.000 1.076 551 L CA 2.864 57.696 54.840 -0.014 0.000 0.772 551 L CB -1.616 40.420 42.059 -0.038 0.000 0.892 551 L HN 0.599 nan 8.230 nan 0.000 0.435 552 Y N -0.183 120.110 120.300 -0.012 0.000 2.145 552 Y HA -0.232 4.337 4.550 0.031 0.000 0.286 552 Y C 2.721 178.625 175.900 0.006 0.000 1.145 552 Y CA 1.923 60.020 58.100 -0.005 0.000 1.148 552 Y CB -1.006 37.448 38.460 -0.011 0.000 0.981 552 Y HN 0.270 nan 8.280 nan 0.000 0.507 553 Q N 0.164 119.965 119.800 0.001 0.000 2.181 553 Q HA -0.161 4.198 4.340 0.031 0.000 0.205 553 Q C 1.644 177.651 176.000 0.011 0.000 0.980 553 Q CA 1.609 57.414 55.803 0.004 0.000 0.862 553 Q CB -0.573 28.163 28.738 -0.003 0.000 0.905 553 Q HN 0.892 nan 8.270 nan 0.000 0.429 554 N N -0.639 118.070 118.700 0.015 0.000 2.255 554 N HA -0.057 4.702 4.740 0.031 0.000 0.192 554 N C 1.091 176.644 175.510 0.071 0.000 1.049 554 N CA 0.247 53.306 53.050 0.016 0.000 0.886 554 N CB -0.022 38.461 38.487 -0.006 0.000 1.064 554 N HN 0.247 nan 8.380 nan 0.000 0.457 555 H N -0.153 118.904 119.070 -0.021 0.000 2.505 555 H HA 0.301 4.876 4.556 0.032 0.000 0.286 555 H C 0.332 175.644 175.328 -0.027 0.000 1.072 555 H CA -0.580 55.454 56.048 -0.023 0.000 1.141 555 H CB 0.311 30.058 29.762 -0.024 0.000 1.550 555 H HN 0.143 nan 8.280 nan 0.000 0.547 556 M N -1.120 118.530 119.600 0.084 0.000 2.686 556 M HA 0.585 5.084 4.480 0.031 0.000 0.262 556 M C 1.929 178.239 176.300 0.015 0.000 1.139 556 M CA 0.138 55.447 55.300 0.014 0.000 0.928 556 M CB -0.456 32.146 32.600 0.002 0.000 1.482 556 M HN 0.317 nan 8.290 nan 0.000 0.545 557 G N 0.581 109.378 108.800 -0.004 0.000 3.718 557 G HA2 -0.371 3.608 3.960 0.031 0.000 0.224 557 G HA3 -0.371 3.608 3.960 0.031 0.000 0.224 557 G C 0.899 175.794 174.900 -0.007 0.000 1.328 557 G CA 1.748 46.846 45.100 -0.003 0.000 0.974 557 G HN 2.081 nan 8.290 nan 0.000 0.579 558 K N 0.928 121.332 120.400 0.007 0.000 2.570 558 K HA 0.449 4.788 4.320 0.031 0.000 0.210 558 K C 0.127 176.705 176.600 -0.038 0.000 1.048 558 K CA 0.271 56.560 56.287 0.004 0.000 1.167 558 K CB -0.095 32.430 32.500 0.043 0.000 0.892 558 K HN 0.570 nan 8.250 nan 0.000 0.480 559 N N 0.703 119.342 118.700 -0.102 0.000 2.272 559 N HA 0.170 4.928 4.740 0.031 0.000 0.305 559 N C 0.733 176.156 175.510 -0.145 0.000 1.103 559 N CA -1.006 51.923 53.050 -0.201 0.000 0.791 559 N CB 1.069 39.317 38.487 -0.399 0.000 1.356 559 N HN 0.157 nan 8.380 nan 0.000 0.486 560 R N 2.036 122.454 120.500 -0.136 0.000 2.070 560 R HA -0.106 4.253 4.340 0.031 0.000 0.233 560 R C 1.354 177.580 176.300 -0.124 0.000 1.137 560 R CA 1.221 57.257 56.100 -0.107 0.000 0.945 560 R CB -0.452 29.793 30.300 -0.092 0.000 0.845 560 R HN 0.554 nan 8.270 nan 0.000 0.430 561 M N 1.768 121.276 119.600 -0.155 0.000 2.085 561 M HA -0.001 4.498 4.480 0.031 0.000 0.258 561 M C 2.061 178.255 176.300 -0.176 0.000 1.089 561 M CA 1.209 56.406 55.300 -0.173 0.000 1.123 561 M CB -1.194 31.295 32.600 -0.185 0.000 1.284 561 M HN 0.147 nan 8.290 nan 0.000 0.421 562 F N 3.661 123.501 119.950 -0.183 0.000 2.552 562 F HA 0.374 4.920 4.527 0.031 0.000 0.342 562 F C 0.901 176.631 175.800 -0.117 0.000 1.257 562 F CA 0.035 57.946 58.000 -0.149 0.000 1.058 562 F CB -1.729 37.189 39.000 -0.137 0.000 1.288 562 F HN 0.390 nan 8.300 nan 0.000 0.627 563 T N -0.441 114.051 114.554 -0.104 0.000 2.888 563 T HA 0.810 5.179 4.350 0.031 0.000 0.288 563 T C -0.002 174.664 174.700 -0.055 0.000 1.063 563 T CA -0.149 61.907 62.100 -0.074 0.000 1.010 563 T CB 1.077 69.901 68.868 -0.073 0.000 1.214 563 T HN 1.265 nan 8.240 nan 0.000 0.533 564 K N 0.384 120.763 120.400 -0.036 0.000 2.118 564 K HA 0.739 5.077 4.320 0.031 0.000 0.240 564 K C -2.552 174.035 176.600 -0.021 0.000 1.035 564 K CA -1.520 54.755 56.287 -0.020 0.000 0.899 564 K CB -1.436 31.058 32.500 -0.010 0.000 1.085 564 K HN 0.731 nan 8.250 nan 0.000 0.498 565 P HA 0.685 nan 4.420 nan 0.000 0.312 565 P C 0.141 177.438 177.300 -0.005 0.000 1.308 565 P CA -0.075 63.022 63.100 -0.004 0.000 0.743 565 P CB 0.798 32.504 31.700 0.010 0.000 1.364 566 G N -3.507 105.293 108.800 -0.001 0.000 2.349 566 G HA2 0.549 4.528 3.960 0.031 0.000 0.294 566 G HA3 0.549 4.528 3.960 0.031 0.000 0.294 566 G C -1.854 173.048 174.900 0.004 0.000 1.380 566 G CA -0.347 44.753 45.100 -0.001 0.000 0.811 566 G HN 0.446 nan 8.290 nan 0.000 0.519 567 K N 1.121 121.523 120.400 0.003 0.000 2.389 567 K HA 0.773 5.111 4.320 0.031 0.000 0.261 567 K C -1.423 175.179 176.600 0.003 0.000 1.014 567 K CA -1.060 55.230 56.287 0.006 0.000 0.920 567 K CB 1.286 33.790 32.500 0.007 0.000 1.149 567 K HN 0.586 nan 8.250 nan 0.000 0.444 568 P HA 0.201 nan 4.420 nan 0.000 0.261 568 P C 0.364 177.665 177.300 0.002 0.000 1.352 568 P CA 0.777 63.876 63.100 -0.001 0.000 0.891 568 P CB -0.036 31.663 31.700 -0.001 0.000 1.383 569 T N -1.290 113.268 114.554 0.007 0.000 3.970 569 T HA -0.159 4.210 4.350 0.031 0.000 0.361 569 T C 0.723 175.431 174.700 0.014 0.000 0.758 569 T CA 0.895 63.000 62.100 0.008 0.000 1.940 569 T CB -2.479 66.390 68.868 0.002 0.000 1.821 569 T HN 0.727 nan 8.240 nan 0.000 0.818 570 R N 0.892 121.408 120.500 0.025 0.000 2.537 570 R HA 0.476 4.835 4.340 0.031 0.000 0.281 570 R C -0.185 176.133 176.300 0.031 0.000 0.988 570 R CA -0.223 55.898 56.100 0.034 0.000 1.077 570 R CB -1.054 29.282 30.300 0.061 0.000 0.932 570 R HN 0.559 nan 8.270 nan 0.000 0.409 571 P HA -0.185 nan 4.420 nan 0.000 0.210 571 P C 0.015 177.329 177.300 0.024 0.000 1.189 571 P CA 1.190 64.302 63.100 0.019 0.000 0.920 571 P CB 0.200 31.907 31.700 0.011 0.000 0.782 572 N N -0.946 117.774 118.700 0.033 0.000 2.322 572 N HA 0.019 4.777 4.740 0.031 0.000 0.194 572 N C 1.146 176.682 175.510 0.044 0.000 1.126 572 N CA 0.178 53.248 53.050 0.033 0.000 0.845 572 N CB -0.310 38.199 38.487 0.036 0.000 0.976 572 N HN 0.317 nan 8.380 nan 0.000 0.475 573 Q N 0.577 120.410 119.800 0.055 0.000 2.540 573 Q HA 0.496 4.855 4.340 0.031 0.000 0.256 573 Q C 0.748 176.788 176.000 0.066 0.000 1.084 573 Q CA 0.510 56.361 55.803 0.079 0.000 0.956 573 Q CB 0.276 29.063 28.738 0.081 0.000 1.303 573 Q HN 0.374 nan 8.270 nan 0.000 0.509 574 G N -0.760 108.102 108.800 0.103 0.000 2.846 574 G HA2 0.692 4.671 3.960 0.031 0.000 0.299 574 G HA3 0.692 4.671 3.960 0.031 0.000 0.299 574 G C -2.419 172.550 174.900 0.114 0.000 1.242 574 G CA -0.266 44.877 45.100 0.072 0.000 0.800 574 G HN 0.789 nan 8.290 nan 0.000 0.538 575 P HA 0.476 nan 4.420 nan 0.000 0.261 575 P C -0.218 177.198 177.300 0.193 0.000 1.173 575 P CA 0.374 63.513 63.100 0.065 0.000 0.760 575 P CB 1.057 32.745 31.700 -0.021 0.000 0.783 576 A N 2.323 125.145 122.820 0.004 0.000 2.533 576 A HA 0.668 5.007 4.320 0.031 0.000 0.293 576 A C -0.165 177.240 177.584 -0.298 0.000 1.228 576 A CA -0.389 51.644 52.037 -0.005 0.000 0.689 576 A CB 1.037 20.104 19.000 0.111 0.000 1.303 576 A HN 0.652 nan 8.150 nan 0.000 0.444 577 H N -2.432 116.695 119.070 0.095 0.000 3.580 577 H HA 0.368 4.942 4.556 0.031 0.000 0.245 577 H C -0.052 175.283 175.328 0.011 0.000 1.015 577 H CA 1.209 57.276 56.048 0.032 0.000 1.113 577 H CB 0.625 30.377 29.762 -0.017 0.000 1.469 577 H HN 0.814 nan 8.280 nan 0.000 0.554 578 F N 1.088 121.120 119.950 0.137 0.000 2.613 578 F HA 0.732 5.278 4.527 0.031 0.000 0.314 578 F C -0.345 175.456 175.800 0.002 0.000 1.075 578 F CA -0.901 57.130 58.000 0.053 0.000 0.945 578 F CB 2.150 41.173 39.000 0.038 0.000 1.310 578 F HN -0.163 nan 8.300 nan 0.000 0.467 579 E N 0.409 120.568 120.200 -0.068 0.000 2.412 579 E HA 0.907 5.275 4.350 0.031 0.000 0.255 579 E C -1.717 174.757 176.600 -0.209 0.000 0.933 579 E CA -0.879 55.443 56.400 -0.129 0.000 0.823 579 E CB 3.258 32.912 29.700 -0.077 0.000 1.352 579 E HN 0.807 nan 8.360 nan 0.000 0.406 580 L N -0.667 120.410 121.223 -0.243 0.000 3.025 580 L HA 0.341 4.699 4.340 0.031 0.000 0.240 580 L C -1.461 175.178 176.870 -0.386 0.000 0.985 580 L CA -0.317 54.331 54.840 -0.319 0.000 1.029 580 L CB 1.183 43.003 42.059 -0.398 0.000 1.519 580 L HN 0.874 nan 8.230 nan 0.000 0.422 581 H N 1.371 120.174 119.070 -0.446 0.000 2.457 581 H HA 0.828 5.402 4.556 0.031 0.000 0.335 581 H C -1.365 173.620 175.328 -0.572 0.000 1.115 581 H CA -0.467 55.351 56.048 -0.384 0.000 1.219 581 H CB 1.396 31.035 29.762 -0.205 0.000 1.471 581 H HN 0.646 nan 8.280 nan 0.000 0.491 582 H N 0.156 119.192 119.070 -0.057 0.000 2.865 582 H HA 0.357 4.931 4.556 0.029 0.000 0.372 582 H C 0.311 175.613 175.328 -0.044 0.000 1.173 582 H CA 0.061 56.088 56.048 -0.035 0.000 1.147 582 H CB 0.760 30.513 29.762 -0.015 0.000 1.805 582 H HN 0.944 nan 8.280 nan 0.000 0.553 583 Y N -0.373 119.969 120.300 0.070 0.000 2.715 583 Y HA 0.336 4.905 4.550 0.031 0.000 0.368 583 Y C 1.072 176.964 175.900 -0.014 0.000 1.125 583 Y CA 0.528 58.626 58.100 -0.002 0.000 1.447 583 Y CB -1.117 37.325 38.460 -0.030 0.000 1.438 583 Y HN 0.746 nan 8.280 nan 0.000 0.472 584 A N -1.348 121.485 122.820 0.022 0.000 2.664 584 A HA 0.580 4.919 4.320 0.031 0.000 0.222 584 A C 1.229 178.825 177.584 0.020 0.000 1.320 584 A CA 0.631 52.671 52.037 0.004 0.000 1.029 584 A CB -0.031 18.964 19.000 -0.008 0.000 1.318 584 A HN 2.257 nan 8.150 nan 0.000 0.589 585 G N -0.224 108.598 108.800 0.035 0.000 2.318 585 G HA2 0.128 4.107 3.960 0.031 0.000 0.367 585 G HA3 0.128 4.107 3.960 0.031 0.000 0.367 585 G C -1.261 173.673 174.900 0.056 0.000 1.260 585 G CA -0.309 44.803 45.100 0.020 0.000 1.055 585 G HN 0.466 nan 8.290 nan 0.000 0.484 586 N N -1.369 117.348 118.700 0.028 0.000 2.518 586 N HA 0.795 5.553 4.740 0.031 0.000 0.284 586 N C -0.559 174.985 175.510 0.056 0.000 1.230 586 N CA 0.123 53.191 53.050 0.030 0.000 0.941 586 N CB 2.111 40.569 38.487 -0.048 0.000 1.219 586 N HN 1.388 nan 8.380 nan 0.000 0.560 587 V N -2.113 117.813 119.914 0.020 0.000 2.775 587 V HA 0.438 4.576 4.120 0.031 0.000 0.295 587 V C -2.860 173.193 176.094 -0.069 0.000 1.226 587 V CA -1.643 60.678 62.300 0.034 0.000 0.934 587 V CB 1.728 33.636 31.823 0.143 0.000 1.056 587 V HN 0.587 nan 8.190 nan 0.000 0.436 588 P HA 0.264 nan 4.420 nan 0.000 0.275 588 P C -0.757 176.751 177.300 0.347 0.000 1.276 588 P CA 0.378 63.543 63.100 0.109 0.000 0.782 588 P CB 0.224 31.987 31.700 0.105 0.000 0.851 589 Y N 0.882 121.245 120.300 0.106 0.000 2.480 589 Y HA 0.416 4.986 4.550 0.032 0.000 0.323 589 Y C 1.405 177.395 175.900 0.150 0.000 1.267 589 Y CA -0.970 57.215 58.100 0.141 0.000 1.336 589 Y CB 1.777 40.352 38.460 0.192 0.000 1.361 589 Y HN 0.313 nan 8.280 nan 0.000 0.518 590 S N 0.400 116.334 115.700 0.391 0.000 2.671 590 S HA 0.464 4.953 4.470 0.031 0.000 0.299 590 S C -0.397 174.242 174.600 0.065 0.000 1.116 590 S CA -0.690 57.757 58.200 0.411 0.000 0.912 590 S CB 1.586 65.088 63.200 0.503 0.000 1.130 590 S HN 0.671 nan 8.310 nan 0.000 0.501 591 I N 1.925 122.384 120.570 -0.185 0.000 4.310 591 I HA 0.223 4.412 4.170 0.031 0.000 0.328 591 I C -0.294 175.342 176.117 -0.803 0.000 1.406 591 I CA 0.069 60.632 61.300 -1.228 0.000 1.174 591 I CB 0.083 37.560 38.000 -0.871 0.000 1.279 591 I HN 0.606 nan 8.210 nan 0.000 0.471 592 T N 2.146 116.655 114.554 -0.075 0.000 2.792 592 T HA 0.195 4.564 4.350 0.031 0.000 0.286 592 T C 1.143 176.072 174.700 0.381 0.000 0.970 592 T CA 0.763 62.959 62.100 0.160 0.000 1.187 592 T CB 0.018 69.065 68.868 0.298 0.000 0.915 592 T HN 0.626 nan 8.240 nan 0.000 0.529 593 G N 2.691 111.640 108.800 0.248 0.000 2.366 593 G HA2 -0.236 3.742 3.960 0.031 0.000 0.299 593 G HA3 -0.236 3.742 3.960 0.031 0.000 0.299 593 G C 0.584 175.744 174.900 0.433 0.000 1.020 593 G CA -0.004 45.264 45.100 0.279 0.000 1.026 593 G HN 0.820 nan 8.290 nan 0.000 0.512 594 W N -0.739 120.608 121.300 0.079 0.000 2.525 594 W HA 0.351 5.029 4.660 0.030 0.000 0.288 594 W C 2.377 178.957 176.519 0.101 0.000 1.200 594 W CA 0.431 57.844 57.345 0.113 0.000 1.349 594 W CB -0.913 28.639 29.460 0.153 0.000 1.102 594 W HN 0.315 nan 8.180 nan 0.000 0.558 595 L N 1.125 122.548 121.223 0.333 0.000 2.351 595 L HA -0.248 4.110 4.340 0.031 0.000 0.220 595 L C 2.266 179.235 176.870 0.165 0.000 1.127 595 L CA 2.205 57.173 54.840 0.213 0.000 0.786 595 L CB -0.310 41.837 42.059 0.146 0.000 0.914 595 L HN 0.162 nan 8.230 nan 0.000 0.443 596 E N -1.568 118.725 120.200 0.157 0.000 2.244 596 E HA -0.163 4.205 4.350 0.031 0.000 0.196 596 E C 2.071 178.711 176.600 0.067 0.000 0.939 596 E CA 0.164 56.627 56.400 0.105 0.000 0.884 596 E CB -0.244 29.509 29.700 0.089 0.000 0.850 596 E HN 0.149 nan 8.360 nan 0.000 0.481 597 K N 1.308 121.747 120.400 0.063 0.000 2.211 597 K HA -0.172 4.166 4.320 0.031 0.000 0.204 597 K C 1.520 178.034 176.600 -0.143 0.000 1.047 597 K CA 1.608 57.847 56.287 -0.079 0.000 0.935 597 K CB -0.219 32.167 32.500 -0.190 0.000 0.728 597 K HN 0.155 nan 8.250 nan 0.000 0.452 598 N N -0.007 118.688 118.700 -0.009 0.000 2.434 598 N HA -0.025 4.734 4.740 0.031 0.000 0.196 598 N C -1.005 174.515 175.510 0.016 0.000 1.183 598 N CA 0.207 53.260 53.050 0.005 0.000 0.849 598 N CB 0.258 38.839 38.487 0.156 0.000 0.992 598 N HN 0.007 nan 8.380 nan 0.000 0.460 599 K N -0.623 119.787 120.400 0.017 0.000 2.466 599 K HA 0.331 4.670 4.320 0.031 0.000 0.277 599 K C -1.566 175.062 176.600 0.047 0.000 1.039 599 K CA -0.630 55.695 56.287 0.063 0.000 0.904 599 K CB 0.981 33.552 32.500 0.118 0.000 1.506 599 K HN -0.036 nan 8.250 nan 0.000 0.441 600 D N 2.142 122.591 120.400 0.082 0.000 2.757 600 D HA 0.206 4.865 4.640 0.031 0.000 0.249 600 D C -2.103 174.249 176.300 0.087 0.000 1.168 600 D CA -1.120 52.922 54.000 0.071 0.000 0.870 600 D CB 2.371 43.212 40.800 0.068 0.000 1.411 600 D HN 0.159 nan 8.370 nan 0.000 0.525 601 P HA 0.114 nan 4.420 nan 0.000 0.261 601 P C 0.442 177.789 177.300 0.078 0.000 1.650 601 P CA -0.199 62.943 63.100 0.069 0.000 0.846 601 P CB -0.571 31.160 31.700 0.052 0.000 1.758 602 I N -1.546 119.086 120.570 0.103 0.000 2.691 602 I HA 0.063 4.251 4.170 0.031 0.000 0.288 602 I C 0.433 176.606 176.117 0.094 0.000 1.143 602 I CA -0.103 61.273 61.300 0.126 0.000 1.364 602 I CB -0.848 37.269 38.000 0.195 0.000 1.435 602 I HN -0.063 nan 8.210 nan 0.000 0.551 603 N N 6.932 125.675 118.700 0.071 0.000 2.381 603 N HA -0.068 4.690 4.740 0.031 0.000 0.288 603 N C 0.861 176.398 175.510 0.046 0.000 1.346 603 N CA 0.066 53.146 53.050 0.049 0.000 0.970 603 N CB 0.488 38.999 38.487 0.039 0.000 1.351 603 N HN 0.643 nan 8.380 nan 0.000 0.488 604 E N 2.178 122.404 120.200 0.044 0.000 2.598 604 E HA -0.388 3.980 4.350 0.031 0.000 0.250 604 E C 1.295 177.912 176.600 0.029 0.000 1.037 604 E CA 2.135 58.557 56.400 0.037 0.000 1.274 604 E CB -0.581 29.131 29.700 0.021 0.000 1.177 604 E HN 0.587 nan 8.360 nan 0.000 0.490 605 N N 0.067 118.778 118.700 0.018 0.000 2.188 605 N HA -0.112 4.647 4.740 0.031 0.000 0.184 605 N C 1.554 177.061 175.510 -0.005 0.000 1.018 605 N CA 1.341 54.396 53.050 0.008 0.000 0.858 605 N CB -0.040 38.452 38.487 0.008 0.000 0.989 605 N HN 0.143 nan 8.380 nan 0.000 0.426 606 V N -0.230 119.684 119.914 -0.001 0.000 2.324 606 V HA -0.230 3.908 4.120 0.031 0.000 0.250 606 V C 2.326 178.376 176.094 -0.073 0.000 1.060 606 V CA 1.557 63.844 62.300 -0.022 0.000 1.042 606 V CB -0.747 31.076 31.823 0.000 0.000 0.650 606 V HN 0.161 nan 8.190 nan 0.000 0.450 607 V N 0.140 120.032 119.914 -0.036 0.000 2.221 607 V HA -0.245 3.894 4.120 0.031 0.000 0.242 607 V C 2.793 178.859 176.094 -0.046 0.000 1.041 607 V CA 2.118 64.392 62.300 -0.043 0.000 0.995 607 V CB -1.292 30.613 31.823 0.135 0.000 0.635 607 V HN 0.543 nan 8.190 nan 0.000 0.448 608 A N -0.144 122.679 122.820 0.006 0.000 1.929 608 A HA -0.299 4.039 4.320 0.031 0.000 0.221 608 A C 2.195 179.764 177.584 -0.024 0.000 1.211 608 A CA 2.608 54.648 52.037 0.006 0.000 0.657 608 A CB -0.877 18.128 19.000 0.008 0.000 0.827 608 A HN 0.537 nan 8.150 nan 0.000 0.462 609 L N -1.547 119.651 121.223 -0.042 0.000 2.083 609 L HA -0.168 4.190 4.340 0.031 0.000 0.209 609 L C 2.618 179.430 176.870 -0.095 0.000 1.083 609 L CA 1.217 56.025 54.840 -0.053 0.000 0.752 609 L CB -0.453 41.578 42.059 -0.046 0.000 0.899 609 L HN 0.387 nan 8.230 nan 0.000 0.433 610 L N -0.888 120.230 121.223 -0.176 0.000 2.162 610 L HA -0.008 4.351 4.340 0.031 0.000 0.205 610 L C 2.602 179.335 176.870 -0.227 0.000 1.086 610 L CA 0.896 55.548 54.840 -0.313 0.000 0.778 610 L CB -0.776 40.874 42.059 -0.681 0.000 0.928 610 L HN 0.236 nan 8.230 nan 0.000 0.446 611 G N 0.211 108.940 108.800 -0.117 0.000 2.672 611 G HA2 -0.305 3.673 3.960 0.031 0.000 0.218 611 G HA3 -0.305 3.673 3.960 0.031 0.000 0.218 611 G C 0.754 175.670 174.900 0.027 0.000 1.238 611 G CA 0.693 45.824 45.100 0.051 0.000 0.791 611 G HN 0.438 nan 8.290 nan 0.000 0.606 612 A N -0.446 122.372 122.820 -0.003 0.000 2.366 612 A HA 0.691 5.029 4.320 0.031 0.000 0.322 612 A C 0.039 177.608 177.584 -0.025 0.000 1.397 612 A CA 0.328 52.363 52.037 -0.004 0.000 0.984 612 A CB 0.715 19.715 19.000 -0.000 0.000 1.149 612 A HN 0.572 nan 8.150 nan 0.000 0.540 613 S N 1.144 116.827 115.700 -0.028 0.000 2.720 613 S HA 0.704 5.193 4.470 0.031 0.000 0.287 613 S C 1.057 175.635 174.600 -0.035 0.000 1.168 613 S CA 0.339 58.514 58.200 -0.041 0.000 0.832 613 S CB 1.284 64.446 63.200 -0.063 0.000 1.166 613 S HN 1.077 nan 8.310 nan 0.000 0.493 614 K N 0.241 120.614 120.400 -0.044 0.000 2.356 614 K HA 0.323 4.662 4.320 0.031 0.000 0.195 614 K C 0.547 177.110 176.600 -0.062 0.000 1.037 614 K CA 0.616 56.874 56.287 -0.048 0.000 1.014 614 K CB -0.270 32.200 32.500 -0.051 0.000 0.815 614 K HN 0.523 nan 8.250 nan 0.000 0.507 615 E N 1.163 121.320 120.200 -0.071 0.000 2.029 615 E HA 0.150 4.519 4.350 0.031 0.000 0.276 615 E C -2.026 174.524 176.600 -0.083 0.000 1.163 615 E CA -2.743 53.605 56.400 -0.086 0.000 0.909 615 E CB 1.108 30.753 29.700 -0.091 0.000 1.046 615 E HN 0.051 nan 8.360 nan 0.000 0.406 616 P HA -0.302 nan 4.420 nan 0.000 0.221 616 P C 1.588 178.801 177.300 -0.145 0.000 1.107 616 P CA 1.371 64.411 63.100 -0.100 0.000 0.986 616 P CB 0.089 31.724 31.700 -0.107 0.000 0.774 617 L N -1.110 119.972 121.223 -0.235 0.000 1.990 617 L HA -0.233 4.126 4.340 0.031 0.000 0.213 617 L C 2.348 179.115 176.870 -0.172 0.000 1.072 617 L CA 1.843 56.462 54.840 -0.368 0.000 0.755 617 L CB -0.879 40.914 42.059 -0.444 0.000 0.889 617 L HN -0.112 nan 8.230 nan 0.000 0.432 618 V N -0.110 119.764 119.914 -0.066 0.000 2.255 618 V HA -0.365 3.773 4.120 0.031 0.000 0.247 618 V C 2.712 178.900 176.094 0.157 0.000 1.051 618 V CA 2.001 64.347 62.300 0.078 0.000 1.018 618 V CB -1.026 30.803 31.823 0.010 0.000 0.641 618 V HN 0.600 nan 8.190 nan 0.000 0.445 619 A N -0.803 122.047 122.820 0.050 0.000 1.908 619 A HA -0.295 4.044 4.320 0.031 0.000 0.218 619 A C 2.310 179.948 177.584 0.091 0.000 1.181 619 A CA 2.170 54.244 52.037 0.063 0.000 0.627 619 A CB -0.534 18.471 19.000 0.009 0.000 0.818 619 A HN 0.662 nan 8.150 nan 0.000 0.445 620 E N -0.021 120.198 120.200 0.031 0.000 2.028 620 E HA -0.128 4.240 4.350 0.031 0.000 0.191 620 E C 1.794 178.415 176.600 0.034 0.000 0.988 620 E CA 0.934 57.346 56.400 0.021 0.000 0.799 620 E CB -0.248 29.434 29.700 -0.030 0.000 0.755 620 E HN 0.601 nan 8.360 nan 0.000 0.447 621 L N -0.038 121.190 121.223 0.008 0.000 2.450 621 L HA -0.155 4.204 4.340 0.031 0.000 0.225 621 L C 0.741 177.393 176.870 -0.364 0.000 1.145 621 L CA 0.856 55.627 54.840 -0.114 0.000 0.801 621 L CB -0.189 41.811 42.059 -0.099 0.000 0.924 621 L HN 0.175 nan 8.230 nan 0.000 0.447 622 F N -1.118 118.839 119.950 0.010 0.000 2.777 622 F HA 0.267 4.812 4.527 0.031 0.000 0.361 622 F C 0.767 176.578 175.800 0.019 0.000 1.254 622 F CA -0.724 57.289 58.000 0.022 0.000 1.181 622 F CB 0.319 39.329 39.000 0.017 0.000 1.082 622 F HN -0.251 nan 8.300 nan 0.000 0.510 623 K N 1.756 122.230 120.400 0.123 0.000 2.436 623 K HA 0.465 4.803 4.320 0.031 0.000 0.275 623 K C 0.678 177.323 176.600 0.075 0.000 0.999 623 K CA -0.107 56.233 56.287 0.088 0.000 0.980 623 K CB 0.655 33.190 32.500 0.059 0.000 0.919 623 K HN 0.276 nan 8.250 nan 0.000 0.484 624 A N 5.321 128.179 122.820 0.063 0.000 2.492 624 A HA 0.185 4.524 4.320 0.031 0.000 0.236 624 A C -1.916 175.693 177.584 0.041 0.000 1.078 624 A CA -0.989 51.075 52.037 0.047 0.000 0.773 624 A CB -0.513 18.508 19.000 0.035 0.000 1.023 624 A HN 0.616 nan 8.150 nan 0.000 0.504 625 P HA 0.022 nan 4.420 nan 0.000 0.300 625 P C 0.948 178.269 177.300 0.035 0.000 1.294 625 P CA 0.095 63.217 63.100 0.037 0.000 0.757 625 P CB 0.158 31.880 31.700 0.037 0.000 1.377 626 E N 0.104 120.325 120.200 0.036 0.000 2.048 626 E HA -0.219 4.149 4.350 0.031 0.000 0.202 626 E C -0.387 176.229 176.600 0.026 0.000 1.021 626 E CA 1.364 57.783 56.400 0.031 0.000 0.825 626 E CB -0.013 29.706 29.700 0.032 0.000 0.756 626 E HN 0.556 nan 8.360 nan 0.000 0.454 627 E N -1.073 119.143 120.200 0.026 0.000 2.352 627 E HA 0.184 4.553 4.350 0.031 0.000 0.280 627 E C -2.243 174.368 176.600 0.017 0.000 0.930 627 E CA -1.482 54.930 56.400 0.021 0.000 0.765 627 E CB 2.003 31.714 29.700 0.018 0.000 1.219 627 E HN -0.006 nan 8.360 nan 0.000 0.434 628 P HA 0.075 nan 4.420 nan 0.000 0.219 628 P C -0.247 177.055 177.300 0.004 0.000 1.154 628 P CA 0.765 63.869 63.100 0.007 0.000 0.826 628 P CB 0.414 32.119 31.700 0.009 0.000 0.795 643 Q N 1.872 120.466 119.800 -2.010 0.000 2.372 643 Q HA 0.665 5.024 4.340 0.031 0.000 0.259 643 Q C -0.555 174.722 176.000 -1.204 0.000 0.993 643 Q CA -0.250 54.625 55.803 -1.547 0.000 0.854 643 Q CB 0.982 29.350 28.738 -0.617 0.000 1.231 643 Q HN 0.978 nan 8.270 nan 0.000 0.462 644 T N -1.422 112.817 114.554 -0.524 0.000 2.856 644 T HA 0.555 4.923 4.350 0.031 0.000 0.283 644 T C 1.048 175.686 174.700 -0.103 0.000 1.008 644 T CA -0.531 61.465 62.100 -0.172 0.000 0.997 644 T CB 0.671 69.525 68.868 -0.024 0.000 0.992 644 T HN 0.597 nan 8.240 nan 0.000 0.454 645 I N 2.161 122.716 120.570 -0.026 0.000 2.550 645 I HA -0.231 3.958 4.170 0.031 0.000 0.265 645 I C 2.447 178.627 176.117 0.104 0.000 1.156 645 I CA 1.745 63.056 61.300 0.018 0.000 1.431 645 I CB -0.292 37.705 38.000 -0.004 0.000 1.110 645 I HN 0.799 nan 8.210 nan 0.000 0.455 646 S N -0.143 115.623 115.700 0.110 0.000 2.499 646 S HA 0.179 4.668 4.470 0.031 0.000 0.225 646 S C 2.164 176.829 174.600 0.109 0.000 1.050 646 S CA 0.437 58.735 58.200 0.163 0.000 0.928 646 S CB 0.041 63.319 63.200 0.129 0.000 0.803 646 S HN 0.388 nan 8.310 nan 0.000 0.506 647 A N 1.147 123.986 122.820 0.032 0.000 2.042 647 A HA -0.040 4.298 4.320 0.031 0.000 0.222 647 A C 2.045 179.647 177.584 0.031 0.000 1.167 647 A CA 2.090 54.129 52.037 0.003 0.000 0.649 647 A CB -0.776 18.180 19.000 -0.074 0.000 0.809 647 A HN 0.526 nan 8.150 nan 0.000 0.457 648 V N -2.042 117.903 119.914 0.053 0.000 2.685 648 V HA -0.066 4.073 4.120 0.031 0.000 0.244 648 V C 2.304 178.509 176.094 0.185 0.000 1.054 648 V CA 1.699 64.051 62.300 0.087 0.000 1.076 648 V CB -0.863 30.997 31.823 0.063 0.000 0.725 648 V HN 0.715 nan 8.190 nan 0.000 0.467 649 H N 0.997 120.124 119.070 0.095 0.000 2.333 649 H HA -0.011 4.563 4.556 0.030 0.000 0.302 649 H C 2.424 177.841 175.328 0.149 0.000 1.075 649 H CA 1.957 58.090 56.048 0.142 0.000 1.348 649 H CB -0.096 29.771 29.762 0.175 0.000 1.393 649 H HN 0.144 nan 8.280 nan 0.000 0.509 650 R N 0.181 120.754 120.500 0.122 0.000 2.105 650 R HA -0.179 4.179 4.340 0.031 0.000 0.239 650 R C 2.439 178.763 176.300 0.040 0.000 1.135 650 R CA 1.871 58.009 56.100 0.064 0.000 0.967 650 R CB -0.134 30.210 30.300 0.073 0.000 0.861 650 R HN 0.619 nan 8.270 nan 0.000 0.442 651 E N 0.079 120.320 120.200 0.068 0.000 2.028 651 E HA -0.168 4.200 4.350 0.031 0.000 0.191 651 E C 1.721 178.365 176.600 0.073 0.000 0.988 651 E CA 1.436 57.874 56.400 0.064 0.000 0.799 651 E CB -1.040 28.699 29.700 0.066 0.000 0.755 651 E HN 0.458 nan 8.360 nan 0.000 0.447 652 S N -0.238 115.537 115.700 0.125 0.000 2.359 652 S HA -0.160 4.328 4.470 0.031 0.000 0.223 652 S C 2.118 176.783 174.600 0.108 0.000 1.039 652 S CA 1.787 60.107 58.200 0.199 0.000 1.042 652 S CB -0.389 63.042 63.200 0.386 0.000 0.915 652 S HN 0.487 nan 8.310 nan 0.000 0.439 653 L N 2.243 123.437 121.223 -0.048 0.000 1.961 653 L HA -0.026 4.332 4.340 0.031 0.000 0.210 653 L C 1.974 178.747 176.870 -0.163 0.000 1.072 653 L CA 2.306 57.004 54.840 -0.237 0.000 0.749 653 L CB -1.815 39.984 42.059 -0.434 0.000 0.889 653 L HN 0.446 nan 8.230 nan 0.000 0.432 654 N N -0.787 117.864 118.700 -0.083 0.000 2.036 654 N HA -0.293 4.466 4.740 0.031 0.000 0.199 654 N C 1.896 177.390 175.510 -0.027 0.000 1.036 654 N CA 1.692 54.725 53.050 -0.030 0.000 0.870 654 N CB -0.142 38.356 38.487 0.018 0.000 1.055 654 N HN 0.217 nan 8.380 nan 0.000 0.436 655 K N 1.032 121.430 120.400 -0.002 0.000 2.074 655 K HA -0.187 4.151 4.320 0.031 0.000 0.209 655 K C 2.011 178.588 176.600 -0.038 0.000 1.048 655 K CA 0.948 57.245 56.287 0.017 0.000 0.926 655 K CB -0.715 31.821 32.500 0.061 0.000 0.713 655 K HN 0.174 nan 8.250 nan 0.000 0.444 656 L N 1.309 122.463 121.223 -0.116 0.000 1.956 656 L HA -0.241 4.117 4.340 0.031 0.000 0.216 656 L C 2.172 178.836 176.870 -0.343 0.000 1.073 656 L CA 1.961 56.626 54.840 -0.293 0.000 0.762 656 L CB -0.961 40.821 42.059 -0.461 0.000 0.889 656 L HN 0.108 nan 8.230 nan 0.000 0.433 657 M N 0.493 119.907 119.600 -0.311 0.000 2.226 657 M HA -0.300 4.199 4.480 0.031 0.000 0.257 657 M C 2.485 178.668 176.300 -0.195 0.000 1.070 657 M CA 2.881 57.986 55.300 -0.326 0.000 1.087 657 M CB -2.096 30.421 32.600 -0.140 0.000 1.278 657 M HN 0.471 nan 8.290 nan 0.000 0.426 658 K N 0.614 121.014 120.400 -0.001 0.000 2.090 658 K HA -0.271 4.067 4.320 0.031 0.000 0.218 658 K C 1.705 178.359 176.600 0.091 0.000 1.055 658 K CA 2.627 58.978 56.287 0.108 0.000 0.941 658 K CB -2.116 30.434 32.500 0.084 0.000 0.722 658 K HN 0.661 nan 8.250 nan 0.000 0.458 659 N N 0.034 118.748 118.700 0.024 0.000 2.270 659 N HA 0.072 4.831 4.740 0.031 0.000 0.181 659 N C 1.805 177.329 175.510 0.023 0.000 1.016 659 N CA 1.163 54.273 53.050 0.101 0.000 0.870 659 N CB -0.092 38.514 38.487 0.198 0.000 0.979 659 N HN 0.401 nan 8.380 nan 0.000 0.431 660 L N -0.637 120.437 121.223 -0.249 0.000 2.083 660 L HA -0.158 4.201 4.340 0.031 0.000 0.209 660 L C 1.332 178.098 176.870 -0.173 0.000 1.083 660 L CA 1.095 55.645 54.840 -0.482 0.000 0.752 660 L CB -0.344 41.035 42.059 -1.134 0.000 0.899 660 L HN 0.238 nan 8.230 nan 0.000 0.433 661 Y N -0.899 119.450 120.300 0.082 0.000 2.561 661 Y HA -0.087 4.481 4.550 0.030 0.000 0.291 661 Y C 2.525 178.507 175.900 0.137 0.000 1.141 661 Y CA 0.630 58.859 58.100 0.215 0.000 1.303 661 Y CB -0.464 38.067 38.460 0.117 0.000 1.015 661 Y HN 0.200 nan 8.280 nan 0.000 0.547 662 S N -0.749 115.073 115.700 0.203 0.000 2.679 662 S HA 0.176 4.665 4.470 0.031 0.000 0.233 662 S C 0.308 174.940 174.600 0.053 0.000 0.951 662 S CA 0.092 58.364 58.200 0.120 0.000 0.973 662 S CB -0.913 62.343 63.200 0.094 0.000 0.778 662 S HN 0.256 nan 8.310 nan 0.000 0.477 663 T N -1.355 113.270 114.554 0.120 0.000 2.923 663 T HA 0.390 4.758 4.350 0.031 0.000 0.311 663 T C -1.097 173.719 174.700 0.193 0.000 1.183 663 T CA -0.730 61.428 62.100 0.095 0.000 1.020 663 T CB 1.118 70.022 68.868 0.059 0.000 1.165 663 T HN 0.291 nan 8.240 nan 0.000 0.482 664 H N 4.478 123.578 119.070 0.051 0.000 3.008 664 H HA 0.415 4.989 4.556 0.031 0.000 0.268 664 H C -2.353 172.851 175.328 -0.206 0.000 1.323 664 H CA -2.201 53.836 56.048 -0.019 0.000 1.401 664 H CB 0.381 30.152 29.762 0.015 0.000 1.556 664 H HN 0.396 nan 8.280 nan 0.000 0.502 665 P HA 0.054 nan 4.420 nan 0.000 0.271 665 P C -0.752 175.900 177.300 -1.080 0.000 1.238 665 P CA 0.303 63.083 63.100 -0.534 0.000 0.794 665 P CB 1.209 32.662 31.700 -0.411 0.000 0.959 666 H N 0.040 118.795 119.070 -0.525 0.000 3.017 666 H HA 0.314 4.889 4.556 0.031 0.000 0.340 666 H C -0.753 174.350 175.328 -0.374 0.000 1.014 666 H CA -0.250 55.609 56.048 -0.315 0.000 1.341 666 H CB 0.591 30.225 29.762 -0.213 0.000 1.739 666 H HN 0.303 nan 8.280 nan 0.000 0.506 667 F N 1.758 121.629 119.950 -0.133 0.000 2.421 667 F HA 0.452 4.999 4.527 0.033 0.000 0.337 667 F C 0.440 176.223 175.800 -0.029 0.000 1.105 667 F CA -1.011 56.908 58.000 -0.135 0.000 1.049 667 F CB 1.662 40.426 39.000 -0.394 0.000 1.139 667 F HN 0.091 nan 8.300 nan 0.000 0.479 668 V N 3.285 123.307 119.914 0.180 0.000 2.604 668 V HA 0.611 4.749 4.120 0.031 0.000 0.305 668 V C -0.464 175.727 176.094 0.161 0.000 1.043 668 V CA -1.034 61.365 62.300 0.165 0.000 0.888 668 V CB 1.804 33.700 31.823 0.122 0.000 0.995 668 V HN 0.585 nan 8.190 nan 0.000 0.429 669 R N 1.959 122.549 120.500 0.149 0.000 2.360 669 R HA 0.523 4.882 4.340 0.031 0.000 0.318 669 R C -1.313 175.000 176.300 0.021 0.000 0.950 669 R CA -0.375 55.789 56.100 0.107 0.000 0.837 669 R CB 1.458 31.848 30.300 0.151 0.000 1.165 669 R HN 0.746 nan 8.270 nan 0.000 0.458 670 C N 4.713 124.007 119.300 -0.010 0.000 2.255 670 C HA 0.532 5.011 4.460 0.031 0.000 0.326 670 C C 0.325 175.258 174.990 -0.094 0.000 1.258 670 C CA -0.802 58.178 59.018 -0.063 0.000 1.676 670 C CB -0.136 27.575 27.740 -0.049 0.000 2.314 670 C HN 0.530 nan 8.230 nan 0.000 0.509 671 I N 4.259 124.744 120.570 -0.141 0.000 2.377 671 I HA 0.353 4.542 4.170 0.031 0.000 0.293 671 I C 0.223 176.213 176.117 -0.212 0.000 0.987 671 I CA -1.075 60.121 61.300 -0.173 0.000 1.185 671 I CB 1.282 39.161 38.000 -0.202 0.000 1.341 671 I HN 0.648 nan 8.210 nan 0.000 0.455 672 I N 8.880 129.342 120.570 -0.180 0.000 2.278 672 I HA 0.166 4.354 4.170 0.031 0.000 0.296 672 I C -1.340 174.646 176.117 -0.218 0.000 1.121 672 I CA -1.638 59.555 61.300 -0.179 0.000 1.267 672 I CB 0.837 38.787 38.000 -0.083 0.000 1.447 672 I HN 0.360 nan 8.210 nan 0.000 0.509 673 P HA -0.198 nan 4.420 nan 0.000 0.219 673 P C -0.852 176.332 177.300 -0.193 0.000 1.161 673 P CA 1.559 64.428 63.100 -0.384 0.000 0.909 673 P CB 0.044 31.462 31.700 -0.470 0.000 0.793 674 N N -4.784 113.861 118.700 -0.092 0.000 3.020 674 N HA 0.185 4.944 4.740 0.031 0.000 0.248 674 N C -0.072 175.480 175.510 0.071 0.000 1.480 674 N CA -0.690 52.359 53.050 -0.002 0.000 0.874 674 N CB 0.173 38.674 38.487 0.024 0.000 1.433 674 N HN -0.393 nan 8.380 nan 0.000 0.530 675 E N -0.438 119.796 120.200 0.058 0.000 2.418 675 E HA 0.205 4.573 4.350 0.031 0.000 0.197 675 E C 0.614 177.263 176.600 0.082 0.000 1.026 675 E CA 0.681 57.121 56.400 0.068 0.000 0.862 675 E CB -0.159 29.564 29.700 0.038 0.000 0.799 675 E HN 0.613 nan 8.360 nan 0.000 0.518 676 L N -0.053 121.229 121.223 0.098 0.000 2.591 676 L HA 0.168 4.527 4.340 0.031 0.000 0.228 676 L C 0.396 177.297 176.870 0.052 0.000 1.133 676 L CA 0.084 54.966 54.840 0.070 0.000 0.880 676 L CB -0.240 41.857 42.059 0.063 0.000 1.033 676 L HN 0.004 nan 8.230 nan 0.000 0.450 677 K N 0.376 120.836 120.400 0.100 0.000 3.130 677 K HA -0.262 4.077 4.320 0.031 0.000 0.282 677 K C 0.401 176.976 176.600 -0.042 0.000 1.145 677 K CA 0.765 56.853 56.287 -0.332 0.000 0.831 677 K CB -1.243 31.002 32.500 -0.424 0.000 1.226 677 K HN 0.474 nan 8.250 nan 0.000 0.478 678 Q N 1.073 121.038 119.800 0.275 0.000 2.293 678 Q HA 0.294 4.652 4.340 0.031 0.000 0.261 678 Q C -2.442 173.747 176.000 0.315 0.000 0.960 678 Q CA -2.353 53.580 55.803 0.216 0.000 0.882 678 Q CB 1.619 30.434 28.738 0.129 0.000 1.275 678 Q HN -0.093 nan 8.270 nan 0.000 0.445 679 P HA 0.144 nan 4.420 nan 0.000 0.278 679 P C 0.311 177.654 177.300 0.072 0.000 1.238 679 P CA 0.826 64.025 63.100 0.164 0.000 0.794 679 P CB 1.312 33.080 31.700 0.113 0.000 0.955 680 G N 0.910 109.708 108.800 -0.003 0.000 2.268 680 G HA2 -0.260 3.718 3.960 0.031 0.000 0.240 680 G HA3 -0.260 3.718 3.960 0.031 0.000 0.240 680 G C -0.137 174.869 174.900 0.177 0.000 1.010 680 G CA 0.195 45.265 45.100 -0.050 0.000 0.618 680 G HN 0.648 nan 8.290 nan 0.000 0.516 681 L N 1.830 123.177 121.223 0.207 0.000 2.397 681 L HA 0.665 5.024 4.340 0.031 0.000 0.271 681 L C 0.226 177.175 176.870 0.132 0.000 1.148 681 L CA -0.522 54.406 54.840 0.147 0.000 0.825 681 L CB 1.614 43.737 42.059 0.107 0.000 1.117 681 L HN 0.296 nan 8.230 nan 0.000 0.456 682 V N 3.991 123.938 119.914 0.056 0.000 2.487 682 V HA 0.373 4.512 4.120 0.031 0.000 0.298 682 V C -0.643 175.429 176.094 -0.037 0.000 1.028 682 V CA -0.715 61.568 62.300 -0.029 0.000 0.860 682 V CB 1.448 33.258 31.823 -0.022 0.000 0.991 682 V HN 0.757 nan 8.190 nan 0.000 0.427 683 D N 3.539 123.900 120.400 -0.066 0.000 2.485 683 D HA 0.467 5.125 4.640 0.031 0.000 0.256 683 D C 1.055 177.314 176.300 -0.069 0.000 1.141 683 D CA 0.242 54.212 54.000 -0.050 0.000 0.942 683 D CB 1.767 42.545 40.800 -0.037 0.000 1.003 683 D HN 0.598 nan 8.370 nan 0.000 0.507 684 A N 3.879 126.657 122.820 -0.071 0.000 1.873 684 A HA -0.326 4.013 4.320 0.031 0.000 0.219 684 A C 1.775 179.302 177.584 -0.095 0.000 1.269 684 A CA 2.047 54.030 52.037 -0.091 0.000 0.671 684 A CB -0.574 18.367 19.000 -0.097 0.000 0.842 684 A HN 0.572 nan 8.150 nan 0.000 0.460 685 E N -0.813 119.332 120.200 -0.091 0.000 2.253 685 E HA -0.203 4.166 4.350 0.031 0.000 0.202 685 E C 1.691 178.270 176.600 -0.036 0.000 1.014 685 E CA 1.365 57.716 56.400 -0.082 0.000 0.823 685 E CB -0.339 29.316 29.700 -0.075 0.000 0.736 685 E HN 0.559 nan 8.360 nan 0.000 0.478 686 L N -0.405 120.801 121.223 -0.029 0.000 2.130 686 L HA -0.034 4.325 4.340 0.031 0.000 0.200 686 L C 2.047 178.905 176.870 -0.021 0.000 1.075 686 L CA 0.855 55.701 54.840 0.008 0.000 0.768 686 L CB -0.492 41.562 42.059 -0.009 0.000 0.933 686 L HN 0.087 nan 8.230 nan 0.000 0.451 687 V N -0.298 119.571 119.914 -0.076 0.000 2.277 687 V HA -0.386 3.753 4.120 0.031 0.000 0.253 687 V C 2.519 178.564 176.094 -0.082 0.000 1.067 687 V CA 2.453 64.689 62.300 -0.108 0.000 1.047 687 V CB -1.481 30.263 31.823 -0.132 0.000 0.649 687 V HN 0.451 nan 8.190 nan 0.000 0.447 688 L N -0.360 120.830 121.223 -0.055 0.000 1.976 688 L HA -0.208 4.150 4.340 0.031 0.000 0.209 688 L C 2.790 179.665 176.870 0.009 0.000 1.071 688 L CA 2.339 57.160 54.840 -0.030 0.000 0.746 688 L CB -1.195 40.837 42.059 -0.045 0.000 0.890 688 L HN 0.434 nan 8.230 nan 0.000 0.432 689 H N 0.488 119.510 119.070 -0.080 0.000 2.400 689 H HA -0.243 4.330 4.556 0.028 0.000 0.295 689 H C 2.205 177.489 175.328 -0.072 0.000 1.118 689 H CA 2.174 58.179 56.048 -0.073 0.000 1.256 689 H CB -0.168 29.552 29.762 -0.071 0.000 1.365 689 H HN 0.379 nan 8.280 nan 0.000 0.502 690 Q N -0.226 119.431 119.800 -0.238 0.000 1.990 690 Q HA -0.055 4.303 4.340 0.031 0.000 0.200 690 Q C 2.596 178.491 176.000 -0.176 0.000 0.980 690 Q CA 1.452 57.078 55.803 -0.294 0.000 0.832 690 Q CB -0.089 28.519 28.738 -0.216 0.000 0.897 690 Q HN 0.467 nan 8.270 nan 0.000 0.427 691 L N 0.923 122.078 121.223 -0.114 0.000 2.551 691 L HA -0.217 4.141 4.340 0.031 0.000 0.230 691 L C 2.179 179.000 176.870 -0.082 0.000 1.163 691 L CA 0.512 55.297 54.840 -0.091 0.000 0.826 691 L CB -0.299 41.717 42.059 -0.071 0.000 0.943 691 L HN 0.263 nan 8.230 nan 0.000 0.452 692 Q N -0.966 118.794 119.800 -0.067 0.000 2.230 692 Q HA -0.087 4.271 4.340 0.031 0.000 0.202 692 Q C 1.804 177.760 176.000 -0.073 0.000 0.963 692 Q CA 1.255 57.034 55.803 -0.040 0.000 0.866 692 Q CB 0.098 28.853 28.738 0.029 0.000 0.931 692 Q HN 0.491 nan 8.270 nan 0.000 0.452 693 C N -0.383 118.853 119.300 -0.108 0.000 3.243 693 C HA 0.279 4.758 4.460 0.031 0.000 0.286 693 C C 1.246 176.121 174.990 -0.192 0.000 1.373 693 C CA -0.188 58.749 59.018 -0.135 0.000 1.749 693 C CB -1.215 26.455 27.740 -0.116 0.000 2.313 693 C HN 0.692 nan 8.230 nan 0.000 0.644 694 N N 0.319 118.914 118.700 -0.175 0.000 2.622 694 N HA 0.105 4.863 4.740 0.031 0.000 0.213 694 N C 1.628 177.010 175.510 -0.214 0.000 1.037 694 N CA 1.034 53.975 53.050 -0.183 0.000 0.999 694 N CB -0.226 38.215 38.487 -0.077 0.000 1.342 694 N HN 0.186 nan 8.380 nan 0.000 0.465 695 G N 0.107 108.777 108.800 -0.217 0.000 3.079 695 G HA2 0.373 4.352 3.960 0.031 0.000 0.233 695 G HA3 0.373 4.352 3.960 0.031 0.000 0.233 695 G C -0.208 174.541 174.900 -0.252 0.000 1.062 695 G CA 0.034 44.918 45.100 -0.360 0.000 0.809 695 G HN 0.144 nan 8.290 nan 0.000 0.535 696 V N 0.713 120.526 119.914 -0.168 0.000 3.074 696 V HA 0.521 4.659 4.120 0.031 0.000 0.314 696 V C -0.024 176.013 176.094 -0.096 0.000 1.117 696 V CA -0.953 61.278 62.300 -0.115 0.000 1.014 696 V CB 2.190 33.963 31.823 -0.084 0.000 1.057 696 V HN 0.122 nan 8.190 nan 0.000 0.438 697 L N 1.938 123.121 121.223 -0.065 0.000 2.472 697 L HA 0.325 4.683 4.340 0.031 0.000 0.273 697 L C 0.375 177.221 176.870 -0.040 0.000 1.254 697 L CA 0.804 55.614 54.840 -0.050 0.000 0.823 697 L CB -0.211 41.834 42.059 -0.024 0.000 1.096 697 L HN 0.851 nan 8.230 nan 0.000 0.521 706 G N 1.869 110.724 108.800 0.091 0.000 3.250 706 G HA2 0.339 4.318 3.960 0.031 0.000 0.216 706 G HA3 0.339 4.318 3.960 0.031 0.000 0.216 706 G C 0.081 175.298 174.900 0.529 0.000 1.091 706 G CA 0.361 45.624 45.100 0.273 0.000 1.654 706 G HN 0.300 nan 8.290 nan 0.000 0.551 707 F N 0.210 120.226 119.950 0.110 0.000 2.410 707 F HA 0.450 4.998 4.527 0.035 0.000 0.324 707 F C -1.352 174.463 175.800 0.025 0.000 1.093 707 F CA -3.449 54.584 58.000 0.055 0.000 1.028 707 F CB 0.273 39.313 39.000 0.068 0.000 1.309 707 F HN -0.057 nan 8.300 nan 0.000 0.499 708 P HA 0.093 nan 4.420 nan 0.000 0.271 708 P C -1.027 176.360 177.300 0.145 0.000 1.220 708 P CA -0.221 62.946 63.100 0.112 0.000 0.768 708 P CB 0.576 32.279 31.700 0.005 0.000 0.848 709 S N 4.198 119.985 115.700 0.145 0.000 3.065 709 S HA 0.128 4.617 4.470 0.031 0.000 0.311 709 S C 0.835 175.450 174.600 0.026 0.000 1.204 709 S CA -0.826 57.448 58.200 0.124 0.000 1.040 709 S CB -0.580 62.742 63.200 0.203 0.000 1.436 709 S HN 0.457 nan 8.310 nan 0.000 0.532 710 R N 2.359 122.863 120.500 0.006 0.000 2.585 710 R HA 0.401 4.759 4.340 0.031 0.000 0.275 710 R C -0.626 175.627 176.300 -0.078 0.000 1.018 710 R CA -0.154 55.905 56.100 -0.068 0.000 1.072 710 R CB 0.177 30.463 30.300 -0.023 0.000 0.953 710 R HN 0.539 nan 8.270 nan 0.000 0.419 711 L N 4.103 125.222 121.223 -0.173 0.000 2.588 711 L HA 0.374 4.732 4.340 0.031 0.000 0.263 711 L C -0.251 176.470 176.870 -0.248 0.000 0.935 711 L CA -1.115 53.638 54.840 -0.145 0.000 0.891 711 L CB 2.066 44.078 42.059 -0.079 0.000 1.318 711 L HN 0.771 nan 8.230 nan 0.000 0.409 712 I N -0.193 120.283 120.570 -0.156 0.000 2.696 712 I HA 0.157 4.346 4.170 0.031 0.000 0.284 712 I C 0.360 176.417 176.117 -0.100 0.000 1.129 712 I CA -0.144 61.039 61.300 -0.194 0.000 1.410 712 I CB 0.622 38.584 38.000 -0.063 0.000 1.399 712 I HN 0.571 nan 8.210 nan 0.000 0.579 713 Y N 2.664 123.017 120.300 0.089 0.000 2.145 713 Y HA -0.226 4.344 4.550 0.033 0.000 0.286 713 Y C 2.961 178.950 175.900 0.149 0.000 1.145 713 Y CA 1.864 60.061 58.100 0.162 0.000 1.148 713 Y CB -1.037 37.493 38.460 0.116 0.000 0.981 713 Y HN 0.828 nan 8.280 nan 0.000 0.507 714 S N -0.234 115.610 115.700 0.240 0.000 2.444 714 S HA -0.303 4.186 4.470 0.031 0.000 0.244 714 S C 2.094 176.773 174.600 0.131 0.000 1.025 714 S CA 1.815 60.105 58.200 0.149 0.000 0.995 714 S CB -0.225 63.033 63.200 0.098 0.000 0.781 714 S HN 0.660 nan 8.310 nan 0.000 0.496 715 E N -0.086 120.205 120.200 0.152 0.000 2.132 715 E HA 0.173 4.542 4.350 0.031 0.000 0.193 715 E C 1.611 178.335 176.600 0.207 0.000 0.951 715 E CA 0.613 57.094 56.400 0.135 0.000 0.843 715 E CB -1.108 28.657 29.700 0.108 0.000 0.807 715 E HN 0.550 nan 8.360 nan 0.000 0.467 716 F N 2.427 122.437 119.950 0.100 0.000 2.225 716 F HA -0.099 4.445 4.527 0.028 0.000 0.302 716 F C 2.324 178.199 175.800 0.124 0.000 1.068 716 F CA 1.988 60.086 58.000 0.163 0.000 1.327 716 F CB -0.861 38.304 39.000 0.274 0.000 1.043 716 F HN 0.362 nan 8.300 nan 0.000 0.506 717 K N 0.328 120.827 120.400 0.164 0.000 1.984 717 K HA -0.182 4.157 4.320 0.031 0.000 0.219 717 K C 1.912 178.493 176.600 -0.032 0.000 1.033 717 K CA 1.261 57.552 56.287 0.007 0.000 0.983 717 K CB -1.660 30.866 32.500 0.043 0.000 0.762 717 K HN 0.463 nan 8.250 nan 0.000 0.445 718 Q N -0.183 119.613 119.800 -0.008 0.000 2.534 718 Q HA -0.262 4.097 4.340 0.031 0.000 0.218 718 Q C 1.884 177.834 176.000 -0.083 0.000 0.989 718 Q CA 1.779 57.562 55.803 -0.034 0.000 0.903 718 Q CB 0.006 28.737 28.738 -0.011 0.000 0.942 718 Q HN 0.457 nan 8.270 nan 0.000 0.501 719 R N -0.782 119.644 120.500 -0.122 0.000 1.906 719 R HA 0.030 4.388 4.340 0.031 0.000 0.186 719 R C 0.763 176.829 176.300 -0.390 0.000 1.615 719 R CA 1.445 57.346 56.100 -0.331 0.000 1.265 719 R CB -0.678 29.362 30.300 -0.433 0.000 0.976 719 R HN 0.262 nan 8.270 nan 0.000 0.487 720 Y N 1.040 121.345 120.300 0.008 0.000 2.471 720 Y HA 0.250 4.814 4.550 0.024 0.000 0.286 720 Y C 2.001 177.778 175.900 -0.206 0.000 1.188 720 Y CA 0.464 58.511 58.100 -0.087 0.000 1.286 720 Y CB -0.439 38.014 38.460 -0.011 0.000 1.072 720 Y HN 0.225 nan 8.280 nan 0.000 0.517 721 S N 0.846 116.469 115.700 -0.129 0.000 2.413 721 S HA -0.252 4.236 4.470 0.031 0.000 0.237 721 S C 2.065 176.623 174.600 -0.070 0.000 1.044 721 S CA 1.480 59.599 58.200 -0.134 0.000 1.024 721 S CB -0.416 62.721 63.200 -0.105 0.000 0.829 721 S HN 0.652 nan 8.310 nan 0.000 0.475 722 I N 0.540 121.093 120.570 -0.029 0.000 2.850 722 I HA -0.065 4.123 4.170 0.031 0.000 0.266 722 I C 0.814 176.931 176.117 -0.000 0.000 1.257 722 I CA 1.023 62.316 61.300 -0.011 0.000 1.465 722 I CB -0.126 37.879 38.000 0.007 0.000 1.091 722 I HN 0.349 nan 8.210 nan 0.000 0.467 723 L N 1.210 122.436 121.223 0.005 0.000 2.612 723 L HA 0.239 4.597 4.340 0.031 0.000 0.230 723 L C 0.478 177.336 176.870 -0.020 0.000 1.140 723 L CA 0.125 54.966 54.840 0.001 0.000 0.896 723 L CB -0.008 42.054 42.059 0.004 0.000 1.065 723 L HN 0.262 nan 8.230 nan 0.000 0.447 724 A N -0.281 122.520 122.820 -0.032 0.000 2.893 724 A HA 0.472 4.811 4.320 0.031 0.000 0.298 724 A C -2.466 175.095 177.584 -0.039 0.000 1.227 724 A CA -0.543 51.474 52.037 -0.034 0.000 0.845 724 A CB 0.066 19.042 19.000 -0.040 0.000 1.430 724 A HN -0.117 nan 8.150 nan 0.000 0.493 725 P HA 0.119 nan 4.420 nan 0.000 0.237 725 P C -0.776 176.503 177.300 -0.034 0.000 1.723 725 P CA 0.314 63.392 63.100 -0.036 0.000 0.882 725 P CB -0.700 30.979 31.700 -0.034 0.000 1.810 726 N N -0.044 118.635 118.700 -0.034 0.000 2.576 726 N HA 0.498 5.256 4.740 0.031 0.000 0.269 726 N C -0.197 175.294 175.510 -0.032 0.000 1.058 726 N CA -0.668 52.364 53.050 -0.030 0.000 0.860 726 N CB 2.360 40.833 38.487 -0.024 0.000 1.249 726 N HN -0.052 nan 8.380 nan 0.000 0.525 727 A N 2.722 125.522 122.820 -0.034 0.000 1.803 727 A HA 0.420 4.759 4.320 0.031 0.000 0.202 727 A C 0.290 177.855 177.584 -0.031 0.000 1.802 727 A CA 0.257 52.274 52.037 -0.034 0.000 1.096 727 A CB 0.431 19.407 19.000 -0.040 0.000 1.046 727 A HN 0.457 nan 8.150 nan 0.000 0.568 735 G N 0.737 109.521 108.800 -0.027 0.000 2.421 735 G HA2 0.131 4.109 3.960 0.031 0.000 0.360 735 G HA3 0.131 4.109 3.960 0.031 0.000 0.360 735 G C 0.430 175.295 174.900 -0.059 0.000 1.219 735 G CA 0.281 45.356 45.100 -0.041 0.000 1.257 735 G HN 0.693 nan 8.290 nan 0.000 0.609 736 K N 0.101 120.460 120.400 -0.068 0.000 2.521 736 K HA -0.143 4.195 4.320 0.031 0.000 0.198 736 K C 1.897 178.335 176.600 -0.269 0.000 1.046 736 K CA 1.620 57.839 56.287 -0.113 0.000 0.931 736 K CB -0.100 32.338 32.500 -0.103 0.000 0.764 736 K HN 0.608 nan 8.250 nan 0.000 0.487 737 T N -1.483 112.956 114.554 -0.191 0.000 3.244 737 T HA 0.104 4.472 4.350 0.031 0.000 0.254 737 T C 1.154 175.787 174.700 -0.113 0.000 1.024 737 T CA -0.247 61.737 62.100 -0.192 0.000 0.920 737 T CB 0.299 69.092 68.868 -0.124 0.000 1.042 737 T HN -0.153 nan 8.240 nan 0.000 0.572 738 V N 2.148 122.011 119.914 -0.085 0.000 3.488 738 V HA -0.001 4.138 4.120 0.031 0.000 0.273 738 V C 2.181 178.247 176.094 -0.048 0.000 1.209 738 V CA 1.540 63.809 62.300 -0.053 0.000 1.179 738 V CB -0.864 30.936 31.823 -0.037 0.000 0.842 738 V HN 0.771 nan 8.190 nan 0.000 0.515 739 S N -1.697 113.991 115.700 -0.019 0.000 2.679 739 S HA 0.072 4.561 4.470 0.031 0.000 0.258 739 S C 1.531 176.184 174.600 0.088 0.000 1.068 739 S CA 0.316 58.531 58.200 0.025 0.000 1.115 739 S CB 0.116 63.441 63.200 0.208 0.000 1.078 739 S HN 0.466 nan 8.310 nan 0.000 0.603 740 E N 1.626 121.852 120.200 0.044 0.000 2.187 740 E HA -0.192 4.177 4.350 0.031 0.000 0.199 740 E C 2.232 178.864 176.600 0.054 0.000 1.004 740 E CA 1.994 58.428 56.400 0.057 0.000 0.813 740 E CB -0.348 29.348 29.700 -0.007 0.000 0.736 740 E HN 0.730 nan 8.360 nan 0.000 0.468 741 K N 0.583 120.994 120.400 0.019 0.000 2.025 741 K HA -0.092 4.247 4.320 0.031 0.000 0.207 741 K C 1.882 178.487 176.600 0.009 0.000 1.049 741 K CA 1.488 57.778 56.287 0.004 0.000 0.933 741 K CB -0.974 31.515 32.500 -0.017 0.000 0.714 741 K HN 0.208 nan 8.250 nan 0.000 0.438 742 I N 1.220 121.788 120.570 -0.004 0.000 2.264 742 I HA -0.261 3.927 4.170 0.031 0.000 0.248 742 I C 3.108 179.247 176.117 0.038 0.000 1.111 742 I CA 1.401 62.687 61.300 -0.023 0.000 1.382 742 I CB -0.913 37.009 38.000 -0.129 0.000 1.060 742 I HN 0.404 nan 8.210 nan 0.000 0.418 743 L N 0.730 122.019 121.223 0.111 0.000 1.933 743 L HA -0.181 4.177 4.340 0.031 0.000 0.220 743 L C 2.944 179.857 176.870 0.073 0.000 1.078 743 L CA 2.820 57.750 54.840 0.150 0.000 0.773 743 L CB -1.966 40.212 42.059 0.199 0.000 0.890 743 L HN 0.371 nan 8.230 nan 0.000 0.434 744 A N -0.025 122.826 122.820 0.053 0.000 1.908 744 A HA 0.074 4.413 4.320 0.031 0.000 0.218 744 A C 2.367 179.960 177.584 0.016 0.000 1.181 744 A CA 1.566 53.619 52.037 0.027 0.000 0.627 744 A CB -1.600 17.410 19.000 0.016 0.000 0.818 744 A HN 1.595 nan 8.150 nan 0.000 0.445 745 G N -1.361 107.446 108.800 0.012 0.000 3.297 745 G HA2 0.297 4.275 3.960 0.031 0.000 0.225 745 G HA3 0.297 4.275 3.960 0.031 0.000 0.225 745 G C 0.496 175.396 174.900 -0.000 0.000 1.171 745 G CA 0.476 45.576 45.100 0.001 0.000 1.652 745 G HN 0.426 nan 8.290 nan 0.000 0.564 746 L N -2.208 119.017 121.223 0.004 0.000 4.117 746 L HA 0.167 4.526 4.340 0.031 0.000 0.403 746 L C 0.729 177.598 176.870 -0.003 0.000 1.051 746 L CA -0.153 54.686 54.840 -0.002 0.000 1.521 746 L CB 0.311 42.369 42.059 -0.002 0.000 1.894 746 L HN 0.180 nan 8.230 nan 0.000 0.632 747 Q N 1.552 121.354 119.800 0.003 0.000 2.464 747 Q HA -0.137 4.221 4.340 0.031 0.000 0.286 747 Q C -0.228 175.773 176.000 0.002 0.000 1.343 747 Q CA 0.850 56.654 55.803 0.002 0.000 0.772 747 Q CB -1.284 27.453 28.738 -0.001 0.000 1.160 747 Q HN 0.515 nan 8.270 nan 0.000 0.422 748 M N -0.988 118.617 119.600 0.008 0.000 2.216 748 M HA 0.400 4.899 4.480 0.031 0.000 0.356 748 M C -0.069 176.237 176.300 0.010 0.000 1.205 748 M CA 0.073 55.377 55.300 0.008 0.000 1.122 748 M CB 1.116 33.725 32.600 0.015 0.000 1.571 748 M HN 0.013 nan 8.290 nan 0.000 0.464 749 D N 6.458 126.864 120.400 0.009 0.000 2.342 749 D HA 0.217 4.876 4.640 0.031 0.000 0.260 749 D C -1.754 174.552 176.300 0.011 0.000 1.278 749 D CA -1.386 52.619 54.000 0.009 0.000 0.910 749 D CB 0.962 41.771 40.800 0.015 0.000 1.079 749 D HN 0.464 nan 8.370 nan 0.000 0.496 750 P HA 0.138 nan 4.420 nan 0.000 0.255 750 P C 0.707 177.947 177.300 -0.100 0.000 1.301 750 P CA -0.019 63.060 63.100 -0.034 0.000 0.817 750 P CB 0.324 32.002 31.700 -0.037 0.000 1.259 751 A N 0.861 123.640 122.820 -0.068 0.000 1.969 751 A HA -0.085 4.253 4.320 0.031 0.000 0.218 751 A C 2.294 179.737 177.584 -0.236 0.000 1.169 751 A CA 1.762 53.715 52.037 -0.140 0.000 0.635 751 A CB -1.499 17.495 19.000 -0.011 0.000 0.810 751 A HN 0.282 nan 8.150 nan 0.000 0.445 752 E N -1.949 118.243 120.200 -0.013 0.000 2.444 752 E HA 0.130 4.498 4.350 0.031 0.000 0.204 752 E C 0.505 177.199 176.600 0.158 0.000 1.049 752 E CA 1.696 58.182 56.400 0.142 0.000 0.872 752 E CB -1.489 28.288 29.700 0.128 0.000 0.791 752 E HN 1.642 nan 8.360 nan 0.000 0.548 753 Y N -1.705 118.532 120.300 -0.105 0.000 2.638 753 Y HA 0.746 5.314 4.550 0.031 0.000 0.335 753 Y C -0.719 174.913 175.900 -0.447 0.000 1.155 753 Y CA -1.424 56.615 58.100 -0.102 0.000 1.046 753 Y CB 1.464 40.063 38.460 0.232 0.000 1.303 753 Y HN 0.148 nan 8.280 nan 0.000 0.460 754 R N 2.023 122.245 120.500 -0.463 0.000 2.533 754 R HA 0.553 4.911 4.340 0.031 0.000 0.288 754 R C -1.931 174.191 176.300 -0.296 0.000 1.039 754 R CA -1.164 54.654 56.100 -0.470 0.000 0.909 754 R CB 1.499 31.375 30.300 -0.708 0.000 1.195 754 R HN 0.778 nan 8.270 nan 0.000 0.438 755 L N 2.655 123.773 121.223 -0.174 0.000 2.328 755 L HA 0.373 4.731 4.340 0.031 0.000 0.280 755 L C 1.192 178.043 176.870 -0.032 0.000 1.111 755 L CA -0.146 54.665 54.840 -0.048 0.000 0.909 755 L CB 1.080 43.167 42.059 0.047 0.000 1.277 755 L HN 0.768 nan 8.230 nan 0.000 0.433 756 G N 0.325 109.077 108.800 -0.081 0.000 2.516 756 G HA2 0.200 4.178 3.960 0.031 0.000 0.276 756 G HA3 0.200 4.178 3.960 0.031 0.000 0.276 756 G C 0.999 175.923 174.900 0.041 0.000 1.390 756 G CA 0.397 45.456 45.100 -0.069 0.000 1.050 756 G HN 0.493 nan 8.290 nan 0.000 0.519 757 T N -3.202 111.372 114.554 0.033 0.000 2.673 757 T HA -0.082 4.287 4.350 0.031 0.000 0.248 757 T C 2.107 176.952 174.700 0.242 0.000 1.080 757 T CA 2.199 64.377 62.100 0.130 0.000 1.203 757 T CB -0.777 68.134 68.868 0.072 0.000 0.893 757 T HN 0.317 nan 8.240 nan 0.000 0.404 758 T N 1.132 115.728 114.554 0.070 0.000 3.129 758 T HA 0.453 4.822 4.350 0.031 0.000 0.251 758 T C 0.322 174.824 174.700 -0.330 0.000 1.117 758 T CA 0.765 62.904 62.100 0.065 0.000 1.034 758 T CB -0.607 68.297 68.868 0.061 0.000 0.968 758 T HN 0.839 nan 8.240 nan 0.000 0.526 759 K N 0.029 120.159 120.400 -0.449 0.000 2.409 759 K HA 0.823 5.161 4.320 0.031 0.000 0.252 759 K C -1.156 175.065 176.600 -0.631 0.000 1.036 759 K CA -0.706 55.212 56.287 -0.616 0.000 0.871 759 K CB 1.312 33.623 32.500 -0.314 0.000 1.374 759 K HN 0.039 nan 8.250 nan 0.000 0.459 760 V N -0.616 118.946 119.914 -0.587 0.000 2.656 760 V HA 0.882 5.020 4.120 0.031 0.000 0.307 760 V C -0.285 175.391 176.094 -0.697 0.000 1.051 760 V CA -0.853 61.083 62.300 -0.607 0.000 0.893 760 V CB 1.045 32.449 31.823 -0.698 0.000 0.999 760 V HN 1.224 nan 8.190 nan 0.000 0.426 761 F N 3.203 122.777 119.950 -0.626 0.000 2.477 761 F HA 0.923 5.469 4.527 0.031 0.000 0.335 761 F C -1.036 174.581 175.800 -0.305 0.000 1.130 761 F CA -1.139 56.646 58.000 -0.359 0.000 0.948 761 F CB 0.867 39.882 39.000 0.025 0.000 1.154 761 F HN 0.504 nan 8.300 nan 0.000 0.439 762 F N 1.777 121.828 119.950 0.169 0.000 2.556 762 F HA 0.649 5.193 4.527 0.028 0.000 0.327 762 F C 0.640 176.582 175.800 0.238 0.000 1.059 762 F CA -1.619 56.498 58.000 0.195 0.000 0.953 762 F CB 1.779 40.818 39.000 0.065 0.000 1.227 762 F HN 0.588 nan 8.300 nan 0.000 0.478 763 K N 0.538 121.220 120.400 0.471 0.000 2.545 763 K HA 0.582 4.920 4.320 0.031 0.000 0.269 763 K C 0.064 176.786 176.600 0.203 0.000 1.071 763 K CA -0.418 56.031 56.287 0.269 0.000 0.919 763 K CB 0.082 32.742 32.500 0.266 0.000 1.169 763 K HN 0.705 nan 8.250 nan 0.000 0.493 764 A N -0.423 122.480 122.820 0.137 0.000 2.272 764 A HA 0.433 4.772 4.320 0.031 0.000 0.275 764 A C 1.073 178.708 177.584 0.085 0.000 1.096 764 A CA 0.263 52.366 52.037 0.111 0.000 0.822 764 A CB -0.445 18.608 19.000 0.087 0.000 1.088 764 A HN 0.808 nan 8.150 nan 0.000 0.495 765 G N -1.243 107.594 108.800 0.062 0.000 2.230 765 G HA2 -0.313 3.665 3.960 0.031 0.000 0.270 765 G HA3 -0.313 3.665 3.960 0.031 0.000 0.270 765 G C 0.894 175.794 174.900 0.000 0.000 0.987 765 G CA 1.863 46.981 45.100 0.031 0.000 0.664 765 G HN 1.538 nan 8.290 nan 0.000 0.539 766 V N -0.573 119.346 119.914 0.010 0.000 2.261 766 V HA 0.076 4.215 4.120 0.031 0.000 0.235 766 V C 2.488 178.468 176.094 -0.191 0.000 1.044 766 V CA 1.585 63.836 62.300 -0.080 0.000 1.007 766 V CB -1.161 30.656 31.823 -0.011 0.000 0.647 766 V HN 0.413 nan 8.190 nan 0.000 0.462 767 L N 2.232 123.367 121.223 -0.148 0.000 2.450 767 L HA -0.039 4.319 4.340 0.031 0.000 0.225 767 L C 2.009 178.845 176.870 -0.056 0.000 1.145 767 L CA 1.957 56.715 54.840 -0.136 0.000 0.801 767 L CB -1.505 40.640 42.059 0.144 0.000 0.924 767 L HN 0.389 nan 8.230 nan 0.000 0.447 768 G N -0.715 108.066 108.800 -0.032 0.000 2.425 768 G HA2 -0.239 3.739 3.960 0.031 0.000 0.213 768 G HA3 -0.239 3.739 3.960 0.031 0.000 0.213 768 G C 1.408 176.287 174.900 -0.035 0.000 1.201 768 G CA 0.610 45.710 45.100 0.000 0.000 0.799 768 G HN 0.549 nan 8.290 nan 0.000 0.534 769 N N 0.536 119.191 118.700 -0.074 0.000 2.149 769 N HA -0.068 4.691 4.740 0.031 0.000 0.188 769 N C 2.264 177.690 175.510 -0.140 0.000 1.019 769 N CA 0.654 53.653 53.050 -0.086 0.000 0.857 769 N CB -0.191 38.243 38.487 -0.088 0.000 0.997 769 N HN 0.220 nan 8.380 nan 0.000 0.426 770 L N 1.416 122.471 121.223 -0.280 0.000 2.043 770 L HA -0.179 4.179 4.340 0.031 0.000 0.212 770 L C 2.343 179.066 176.870 -0.245 0.000 1.075 770 L CA 1.349 55.880 54.840 -0.515 0.000 0.752 770 L CB -0.548 40.801 42.059 -1.183 0.000 0.891 770 L HN 0.188 nan 8.230 nan 0.000 0.432 771 E N -0.057 120.137 120.200 -0.010 0.000 2.072 771 E HA -0.220 4.148 4.350 0.031 0.000 0.191 771 E C 2.015 178.671 176.600 0.093 0.000 0.985 771 E CA 0.832 57.348 56.400 0.195 0.000 0.801 771 E CB -0.110 29.705 29.700 0.192 0.000 0.750 771 E HN 0.462 nan 8.360 nan 0.000 0.452 772 E N 0.008 120.226 120.200 0.030 0.000 2.204 772 E HA -0.125 4.243 4.350 0.031 0.000 0.194 772 E C 1.938 178.545 176.600 0.012 0.000 0.989 772 E CA 0.559 56.971 56.400 0.019 0.000 0.824 772 E CB 0.079 29.781 29.700 0.002 0.000 0.756 772 E HN 0.193 nan 8.360 nan 0.000 0.477 773 M N -0.163 119.433 119.600 -0.006 0.000 2.276 773 M HA -0.036 4.462 4.480 0.031 0.000 0.262 773 M C 2.430 178.746 176.300 0.028 0.000 1.098 773 M CA 0.639 55.935 55.300 -0.007 0.000 1.167 773 M CB -0.013 32.559 32.600 -0.046 0.000 1.337 773 M HN -0.121 nan 8.290 nan 0.000 0.446 774 R N 0.655 121.195 120.500 0.066 0.000 2.185 774 R HA -0.206 4.153 4.340 0.031 0.000 0.247 774 R C 1.080 177.435 176.300 0.093 0.000 1.159 774 R CA 1.860 58.039 56.100 0.133 0.000 0.988 774 R CB -0.632 29.857 30.300 0.314 0.000 0.871 774 R HN 0.446 nan 8.270 nan 0.000 0.458 775 D N 0.410 120.856 120.400 0.076 0.000 2.087 775 D HA -0.106 4.552 4.640 0.031 0.000 0.201 775 D C 1.678 178.002 176.300 0.040 0.000 0.980 775 D CA 1.015 55.048 54.000 0.056 0.000 0.849 775 D CB -0.260 40.569 40.800 0.049 0.000 1.001 775 D HN 0.313 nan 8.370 nan 0.000 0.452 776 E N 0.206 120.424 120.200 0.031 0.000 2.267 776 E HA -0.193 4.176 4.350 0.031 0.000 0.197 776 E C 1.971 178.585 176.600 0.024 0.000 0.998 776 E CA 0.480 56.894 56.400 0.023 0.000 0.830 776 E CB 0.201 29.910 29.700 0.016 0.000 0.751 776 E HN -0.093 nan 8.360 nan 0.000 0.491 777 R N 0.574 121.091 120.500 0.028 0.000 2.090 777 R HA -0.044 4.315 4.340 0.031 0.000 0.228 777 R C 1.822 178.139 176.300 0.029 0.000 1.110 777 R CA 0.660 56.775 56.100 0.026 0.000 0.973 777 R CB -0.406 29.911 30.300 0.028 0.000 0.869 777 R HN 0.124 nan 8.270 nan 0.000 0.440 778 L N 0.336 121.579 121.223 0.034 0.000 2.591 778 L HA 0.180 4.538 4.340 0.031 0.000 0.228 778 L C 1.810 178.701 176.870 0.036 0.000 1.133 778 L CA 0.893 55.752 54.840 0.033 0.000 0.880 778 L CB -0.307 41.771 42.059 0.033 0.000 1.033 778 L HN 0.159 nan 8.230 nan 0.000 0.450 779 S N -0.990 114.730 115.700 0.033 0.000 2.377 779 S HA -0.148 4.341 4.470 0.031 0.000 0.223 779 S C 2.080 176.701 174.600 0.036 0.000 1.030 779 S CA 1.155 59.375 58.200 0.032 0.000 0.970 779 S CB 0.017 63.232 63.200 0.026 0.000 0.830 779 S HN 0.464 nan 8.310 nan 0.000 0.473 780 K N 0.840 121.259 120.400 0.033 0.000 1.963 780 K HA 0.008 4.346 4.320 0.031 0.000 0.216 780 K C 1.937 178.565 176.600 0.047 0.000 1.045 780 K CA 1.952 58.259 56.287 0.035 0.000 0.954 780 K CB -0.529 31.988 32.500 0.028 0.000 0.732 780 K HN 0.395 nan 8.250 nan 0.000 0.442 781 I N 1.179 121.775 120.570 0.043 0.000 2.462 781 I HA -0.337 3.852 4.170 0.031 0.000 0.259 781 I C 1.944 178.114 176.117 0.089 0.000 1.156 781 I CA 1.242 62.573 61.300 0.051 0.000 1.417 781 I CB -0.299 37.718 38.000 0.029 0.000 1.088 781 I HN 0.324 nan 8.210 nan 0.000 0.442 782 I N -0.356 120.267 120.570 0.088 0.000 2.512 782 I HA -0.147 4.041 4.170 0.031 0.000 0.247 782 I C 2.539 178.724 176.117 0.114 0.000 1.094 782 I CA 0.964 62.341 61.300 0.128 0.000 1.427 782 I CB -0.304 37.750 38.000 0.090 0.000 1.149 782 I HN 0.147 nan 8.210 nan 0.000 0.438 783 S N 1.114 116.853 115.700 0.065 0.000 2.440 783 S HA -0.127 4.362 4.470 0.031 0.000 0.238 783 S C 1.962 176.589 174.600 0.045 0.000 1.010 783 S CA 0.945 59.166 58.200 0.036 0.000 0.972 783 S CB -0.328 62.888 63.200 0.026 0.000 0.774 783 S HN 0.272 nan 8.310 nan 0.000 0.501 784 M N 0.962 120.611 119.600 0.081 0.000 2.074 784 M HA 0.063 4.562 4.480 0.031 0.000 0.259 784 M C 2.088 178.476 176.300 0.145 0.000 1.079 784 M CA 1.413 56.774 55.300 0.102 0.000 1.119 784 M CB -1.225 31.438 32.600 0.105 0.000 1.297 784 M HN 0.467 nan 8.290 nan 0.000 0.416 785 F N 1.616 121.579 119.950 0.021 0.000 2.449 785 F HA -0.187 4.357 4.527 0.030 0.000 0.299 785 F C 2.119 177.946 175.800 0.045 0.000 1.092 785 F CA 1.335 59.343 58.000 0.014 0.000 1.446 785 F CB -0.410 38.572 39.000 -0.031 0.000 1.084 785 F HN 0.284 nan 8.300 nan 0.000 0.567 786 Q N -0.371 119.326 119.800 -0.171 0.000 2.123 786 Q HA 0.034 4.393 4.340 0.031 0.000 0.196 786 Q C 2.534 178.440 176.000 -0.158 0.000 0.958 786 Q CA 0.981 56.626 55.803 -0.263 0.000 0.841 786 Q CB -0.384 28.282 28.738 -0.120 0.000 0.915 786 Q HN 0.439 nan 8.270 nan 0.000 0.455 787 A N 0.326 123.118 122.820 -0.046 0.000 2.019 787 A HA -0.247 4.092 4.320 0.031 0.000 0.219 787 A C 1.606 179.193 177.584 0.004 0.000 1.164 787 A CA 1.772 53.802 52.037 -0.012 0.000 0.644 787 A CB -0.612 18.401 19.000 0.022 0.000 0.805 787 A HN 0.368 nan 8.150 nan 0.000 0.449 788 H N 0.140 119.173 119.070 -0.062 0.000 2.256 788 H HA -0.045 4.530 4.556 0.031 0.000 0.301 788 H C 1.886 177.178 175.328 -0.060 0.000 1.062 788 H CA 2.217 58.258 56.048 -0.011 0.000 1.283 788 H CB -0.238 29.569 29.762 0.075 0.000 1.379 788 H HN 0.354 nan 8.280 nan 0.000 0.493 789 I N 0.253 120.783 120.570 -0.067 0.000 2.181 789 I HA -0.400 3.788 4.170 0.031 0.000 0.247 789 I C 2.670 178.723 176.117 -0.107 0.000 1.081 789 I CA 1.841 63.029 61.300 -0.186 0.000 1.340 789 I CB -0.568 37.209 38.000 -0.371 0.000 1.036 789 I HN 0.327 nan 8.210 nan 0.000 0.417 790 R N 1.041 121.486 120.500 -0.092 0.000 2.080 790 R HA -0.158 4.201 4.340 0.031 0.000 0.236 790 R C 2.457 178.747 176.300 -0.016 0.000 1.137 790 R CA 1.943 58.013 56.100 -0.051 0.000 0.943 790 R CB -0.628 29.642 30.300 -0.050 0.000 0.846 790 R HN 0.439 nan 8.270 nan 0.000 0.431 791 G N -0.317 108.462 108.800 -0.036 0.000 2.446 791 G HA2 -0.352 3.626 3.960 0.031 0.000 0.217 791 G HA3 -0.352 3.626 3.960 0.031 0.000 0.217 791 G C 1.247 176.153 174.900 0.011 0.000 1.168 791 G CA 0.892 45.965 45.100 -0.045 0.000 0.771 791 G HN 0.520 nan 8.290 nan 0.000 0.551 792 Y N 1.358 121.576 120.300 -0.137 0.000 2.298 792 Y HA -0.094 4.475 4.550 0.032 0.000 0.287 792 Y C 2.283 178.154 175.900 -0.048 0.000 1.164 792 Y CA 1.061 59.108 58.100 -0.087 0.000 1.229 792 Y CB -0.242 38.188 38.460 -0.050 0.000 0.977 792 Y HN 0.165 nan 8.280 nan 0.000 0.538 793 L N -0.777 120.612 121.223 0.276 0.000 2.022 793 L HA -0.136 4.223 4.340 0.031 0.000 0.204 793 L C 2.380 179.310 176.870 0.100 0.000 1.076 793 L CA 1.128 56.085 54.840 0.195 0.000 0.749 793 L CB -0.619 41.491 42.059 0.086 0.000 0.903 793 L HN 0.050 nan 8.230 nan 0.000 0.439 794 I N -0.228 120.374 120.570 0.053 0.000 2.874 794 I HA -0.318 3.871 4.170 0.031 0.000 0.271 794 I C 2.214 178.346 176.117 0.026 0.000 1.263 794 I CA 1.242 62.563 61.300 0.036 0.000 1.443 794 I CB -0.094 37.911 38.000 0.007 0.000 1.100 794 I HN 0.253 nan 8.210 nan 0.000 0.480 795 R N -0.630 119.868 120.500 -0.003 0.000 2.287 795 R HA 0.005 4.363 4.340 0.031 0.000 0.197 795 R C 2.047 178.328 176.300 -0.031 0.000 0.900 795 R CA 0.003 56.077 56.100 -0.044 0.000 1.052 795 R CB -0.071 30.153 30.300 -0.127 0.000 1.117 795 R HN -0.088 nan 8.270 nan 0.000 0.568 796 K N 1.587 121.957 120.400 -0.050 0.000 2.281 796 K HA -0.020 4.319 4.320 0.031 0.000 0.203 796 K C -0.338 176.271 176.600 0.014 0.000 1.046 796 K CA 1.498 57.749 56.287 -0.061 0.000 0.938 796 K CB 0.156 32.690 32.500 0.057 0.000 0.737 796 K HN 0.133 nan 8.250 nan 0.000 0.458 797 A N -0.303 122.550 122.820 0.054 0.000 2.651 797 A HA 0.480 4.818 4.320 0.031 0.000 0.290 797 A C -0.799 176.867 177.584 0.136 0.000 1.185 797 A CA -0.685 51.394 52.037 0.070 0.000 0.746 797 A CB 0.249 19.282 19.000 0.053 0.000 1.213 797 A HN 0.310 nan 8.150 nan 0.000 0.429 798 Y N 2.424 122.710 120.300 -0.025 0.000 2.844 798 Y HA 0.166 4.734 4.550 0.031 0.000 0.256 798 Y C 1.831 177.718 175.900 -0.021 0.000 1.134 798 Y CA 1.203 59.289 58.100 -0.023 0.000 1.209 798 Y CB 0.084 38.526 38.460 -0.030 0.000 1.418 798 Y HN 0.538 nan 8.280 nan 0.000 0.459 799 K N 1.398 121.816 120.400 0.030 0.000 1.987 799 K HA -0.335 4.004 4.320 0.031 0.000 0.216 799 K C 2.077 178.620 176.600 -0.096 0.000 1.051 799 K CA 2.500 58.757 56.287 -0.050 0.000 0.942 799 K CB -0.311 32.191 32.500 0.003 0.000 0.722 799 K HN 0.194 nan 8.250 nan 0.000 0.444 800 K N 1.164 121.536 120.400 -0.047 0.000 2.071 800 K HA -0.210 4.128 4.320 0.031 0.000 0.217 800 K C 2.208 178.762 176.600 -0.077 0.000 1.054 800 K CA 2.073 58.334 56.287 -0.044 0.000 0.937 800 K CB -0.667 31.824 32.500 -0.015 0.000 0.719 800 K HN 0.381 nan 8.250 nan 0.000 0.454 801 L N 0.433 121.592 121.223 -0.106 0.000 1.976 801 L HA -0.296 4.063 4.340 0.031 0.000 0.209 801 L C 2.531 179.292 176.870 -0.182 0.000 1.071 801 L CA 1.946 56.706 54.840 -0.133 0.000 0.746 801 L CB -0.431 41.545 42.059 -0.138 0.000 0.890 801 L HN 0.451 nan 8.230 nan 0.000 0.432 802 Q N -0.377 119.240 119.800 -0.305 0.000 2.197 802 Q HA -0.265 4.093 4.340 0.031 0.000 0.207 802 Q C 1.650 177.561 176.000 -0.150 0.000 0.984 802 Q CA 1.958 57.598 55.803 -0.271 0.000 0.869 802 Q CB -0.328 28.191 28.738 -0.364 0.000 0.906 802 Q HN 0.570 nan 8.270 nan 0.000 0.426 803 D N 0.894 121.222 120.400 -0.120 0.000 2.078 803 D HA -0.163 4.496 4.640 0.031 0.000 0.193 803 D C 2.024 178.285 176.300 -0.066 0.000 0.990 803 D CA 1.297 55.251 54.000 -0.077 0.000 0.827 803 D CB -0.297 40.467 40.800 -0.061 0.000 0.975 803 D HN 0.300 nan 8.370 nan 0.000 0.451 804 Q N 0.120 119.881 119.800 -0.065 0.000 2.077 804 Q HA -0.206 4.153 4.340 0.031 0.000 0.206 804 Q C 2.216 178.186 176.000 -0.051 0.000 0.989 804 Q CA 1.061 56.834 55.803 -0.051 0.000 0.853 804 Q CB -0.260 28.450 28.738 -0.046 0.000 0.907 804 Q HN 0.197 nan 8.270 nan 0.000 0.418 805 R N 0.835 121.296 120.500 -0.066 0.000 2.139 805 R HA -0.201 4.157 4.340 0.031 0.000 0.243 805 R C 1.839 178.111 176.300 -0.048 0.000 1.145 805 R CA 1.203 57.267 56.100 -0.059 0.000 0.976 805 R CB -0.210 30.043 30.300 -0.078 0.000 0.866 805 R HN 0.247 nan 8.270 nan 0.000 0.449 806 I N 0.175 120.715 120.570 -0.051 0.000 2.185 806 I HA -0.034 4.154 4.170 0.031 0.000 0.235 806 I C 2.461 178.557 176.117 -0.034 0.000 1.069 806 I CA 1.711 62.986 61.300 -0.041 0.000 1.354 806 I CB -1.228 36.746 38.000 -0.042 0.000 1.093 806 I HN 0.277 nan 8.210 nan 0.000 0.411 807 G N 0.986 109.765 108.800 -0.035 0.000 2.663 807 G HA2 -0.368 3.611 3.960 0.031 0.000 0.222 807 G HA3 -0.368 3.611 3.960 0.031 0.000 0.222 807 G C 1.823 176.707 174.900 -0.026 0.000 1.146 807 G CA 1.667 46.749 45.100 -0.030 0.000 0.764 807 G HN 0.509 nan 8.290 nan 0.000 0.608 808 L N 0.256 121.464 121.223 -0.025 0.000 1.989 808 L HA -0.106 4.253 4.340 0.031 0.000 0.211 808 L C 2.904 179.764 176.870 -0.016 0.000 1.071 808 L CA 2.361 57.189 54.840 -0.019 0.000 0.749 808 L CB -0.500 41.547 42.059 -0.018 0.000 0.890 808 L HN 0.242 nan 8.230 nan 0.000 0.431 809 S N -0.328 115.360 115.700 -0.019 0.000 2.380 809 S HA -0.221 4.268 4.470 0.031 0.000 0.229 809 S C 1.879 176.470 174.600 -0.015 0.000 1.043 809 S CA 1.577 59.767 58.200 -0.016 0.000 1.038 809 S CB -0.569 62.619 63.200 -0.020 0.000 0.872 809 S HN 0.404 nan 8.310 nan 0.000 0.456 810 V N 2.146 122.049 119.914 -0.019 0.000 2.220 810 V HA -0.232 3.907 4.120 0.031 0.000 0.246 810 V C 2.065 178.150 176.094 -0.016 0.000 1.049 810 V CA 2.000 64.287 62.300 -0.020 0.000 1.003 810 V CB -0.716 31.092 31.823 -0.025 0.000 0.634 810 V HN 0.442 nan 8.190 nan 0.000 0.444 811 I N 0.563 121.123 120.570 -0.017 0.000 2.053 811 I HA -0.379 3.810 4.170 0.031 0.000 0.236 811 I C 2.509 178.628 176.117 0.003 0.000 1.038 811 I CA 2.366 63.659 61.300 -0.011 0.000 1.304 811 I CB -0.757 37.236 38.000 -0.012 0.000 1.023 811 I HN 0.506 nan 8.210 nan 0.000 0.395 812 Q N 0.963 120.766 119.800 0.005 0.000 2.518 812 Q HA -0.083 4.276 4.340 0.031 0.000 0.217 812 Q C 1.728 177.737 176.000 0.016 0.000 0.974 812 Q CA 0.624 56.436 55.803 0.015 0.000 0.971 812 Q CB -0.071 28.674 28.738 0.011 0.000 0.988 812 Q HN 0.518 nan 8.270 nan 0.000 0.536 813 R N 0.642 121.149 120.500 0.011 0.000 2.107 813 R HA 0.096 4.455 4.340 0.031 0.000 0.195 813 R C 1.436 177.747 176.300 0.018 0.000 1.214 813 R CA 0.681 56.785 56.100 0.008 0.000 1.129 813 R CB 0.091 30.389 30.300 -0.004 0.000 1.045 813 R HN 0.356 nan 8.270 nan 0.000 0.489 814 N N 0.941 119.649 118.700 0.013 0.000 2.018 814 N HA -0.209 4.549 4.740 0.031 0.000 0.196 814 N C 1.998 177.555 175.510 0.077 0.000 1.043 814 N CA 1.743 54.806 53.050 0.021 0.000 0.856 814 N CB -0.230 38.250 38.487 -0.011 0.000 1.042 814 N HN 0.146 nan 8.380 nan 0.000 0.423 815 I N 1.133 121.753 120.570 0.083 0.000 2.087 815 I HA -0.303 3.885 4.170 0.031 0.000 0.240 815 I C 2.458 178.671 176.117 0.160 0.000 1.054 815 I CA 1.223 62.625 61.300 0.171 0.000 1.311 815 I CB -0.282 37.797 38.000 0.131 0.000 1.024 815 I HN 0.145 nan 8.210 nan 0.000 0.402 816 R N 0.726 121.278 120.500 0.085 0.000 2.397 816 R HA -0.187 4.172 4.340 0.031 0.000 0.213 816 R C 1.925 178.251 176.300 0.043 0.000 1.102 816 R CA 1.073 57.206 56.100 0.055 0.000 1.040 816 R CB -0.013 30.306 30.300 0.030 0.000 0.844 816 R HN 0.339 nan 8.270 nan 0.000 0.478 817 K N -1.528 118.912 120.400 0.067 0.000 2.344 817 K HA -0.052 4.286 4.320 0.031 0.000 0.200 817 K C 0.985 177.629 176.600 0.074 0.000 1.132 817 K CA -0.082 56.229 56.287 0.040 0.000 0.935 817 K CB -0.055 32.458 32.500 0.021 0.000 1.089 817 K HN 0.162 nan 8.250 nan 0.000 0.496 818 W N 1.842 123.105 121.300 -0.062 0.000 2.982 818 W HA 0.044 4.722 4.660 0.031 0.000 0.239 818 W C -0.021 176.478 176.519 -0.032 0.000 1.303 818 W CA 0.800 58.103 57.345 -0.071 0.000 1.448 818 W CB 0.114 29.545 29.460 -0.048 0.000 1.133 818 W HN 0.055 nan 8.180 nan 0.000 0.698 819 L N 0.014 121.187 121.223 -0.083 0.000 3.069 819 L HA 0.094 4.453 4.340 0.031 0.000 0.271 819 L C 0.963 177.776 176.870 -0.096 0.000 1.201 819 L CA -0.207 54.533 54.840 -0.166 0.000 1.015 819 L CB 0.059 42.081 42.059 -0.061 0.000 1.371 819 L HN -0.167 nan 8.230 nan 0.000 0.574 820 V N -1.436 118.435 119.914 -0.072 0.000 2.996 820 V HA -0.026 4.113 4.120 0.031 0.000 0.235 820 V C 1.895 177.991 176.094 0.004 0.000 1.205 820 V CA 0.228 62.515 62.300 -0.023 0.000 1.225 820 V CB 0.125 31.930 31.823 -0.029 0.000 0.995 820 V HN 0.242 nan 8.190 nan 0.000 0.484 821 L N 1.433 122.611 121.223 -0.075 0.000 2.051 821 L HA -0.160 4.199 4.340 0.031 0.000 0.214 821 L C 2.235 179.081 176.870 -0.041 0.000 1.076 821 L CA 2.124 56.885 54.840 -0.131 0.000 0.758 821 L CB -0.752 41.072 42.059 -0.391 0.000 0.890 821 L HN 0.216 nan 8.230 nan 0.000 0.433 822 R N -0.946 119.525 120.500 -0.049 0.000 2.310 822 R HA 0.060 4.418 4.340 0.031 0.000 0.202 822 R C 1.232 177.643 176.300 0.184 0.000 0.933 822 R CA 0.638 56.873 56.100 0.224 0.000 1.054 822 R CB -0.336 29.956 30.300 -0.013 0.000 0.985 822 R HN 0.569 nan 8.270 nan 0.000 0.489 823 N N -0.524 118.270 118.700 0.156 0.000 2.184 823 N HA -0.018 4.741 4.740 0.031 0.000 0.206 823 N C -0.895 174.765 175.510 0.250 0.000 1.151 823 N CA -0.411 52.724 53.050 0.142 0.000 0.878 823 N CB 0.463 38.996 38.487 0.077 0.000 1.014 823 N HN 0.082 nan 8.380 nan 0.000 0.512 824 W N 2.953 124.334 121.300 0.134 0.000 2.387 824 W HA 0.224 4.903 4.660 0.031 0.000 0.310 824 W C 1.076 177.723 176.519 0.213 0.000 1.181 824 W CA -0.515 56.938 57.345 0.180 0.000 1.333 824 W CB 0.499 30.087 29.460 0.215 0.000 1.286 824 W HN 0.036 nan 8.180 nan 0.000 0.455 825 Q N 3.344 123.150 119.800 0.011 0.000 2.146 825 Q HA -0.316 4.043 4.340 0.031 0.000 0.217 825 Q C 1.701 177.430 176.000 -0.451 0.000 1.023 825 Q CA 2.912 58.560 55.803 -0.258 0.000 0.903 825 Q CB -0.830 27.693 28.738 -0.358 0.000 0.990 825 Q HN 0.840 nan 8.270 nan 0.000 0.413 826 W N -0.538 120.290 121.300 -0.786 0.000 2.388 826 W HA -0.137 4.542 4.660 0.031 0.000 0.294 826 W C 2.311 178.592 176.519 -0.396 0.000 1.212 826 W CA 0.350 57.238 57.345 -0.762 0.000 1.271 826 W CB -0.873 27.765 29.460 -1.370 0.000 1.126 826 W HN 0.353 nan 8.180 nan 0.000 0.535 827 W N 2.338 123.499 121.300 -0.231 0.000 2.363 827 W HA -0.228 4.451 4.660 0.031 0.000 0.296 827 W C 1.563 178.111 176.519 0.048 0.000 1.212 827 W CA 1.685 59.075 57.345 0.075 0.000 1.260 827 W CB -0.097 29.498 29.460 0.225 0.000 1.131 827 W HN -0.061 nan 8.180 nan 0.000 0.530 828 K N 0.398 120.763 120.400 -0.057 0.000 1.969 828 K HA -0.269 4.070 4.320 0.031 0.000 0.216 828 K C 1.931 178.404 176.600 -0.212 0.000 1.048 828 K CA 1.737 57.925 56.287 -0.165 0.000 0.948 828 K CB -1.335 31.110 32.500 -0.092 0.000 0.726 828 K HN 0.120 nan 8.250 nan 0.000 0.442 829 L N 1.162 122.288 121.223 -0.160 0.000 2.089 829 L HA -0.244 4.115 4.340 0.031 0.000 0.213 829 L C 2.366 179.206 176.870 -0.050 0.000 1.079 829 L CA 1.744 56.511 54.840 -0.121 0.000 0.758 829 L CB -0.840 41.135 42.059 -0.141 0.000 0.891 829 L HN 0.247 nan 8.230 nan 0.000 0.433 830 Y N 0.121 120.282 120.300 -0.231 0.000 2.133 830 Y HA -0.157 4.411 4.550 0.031 0.000 0.287 830 Y C 2.602 178.301 175.900 -0.335 0.000 1.134 830 Y CA 1.598 59.554 58.100 -0.239 0.000 1.133 830 Y CB -0.924 37.387 38.460 -0.249 0.000 0.987 830 Y HN 0.306 nan 8.280 nan 0.000 0.502 831 S N 0.331 115.670 115.700 -0.601 0.000 2.402 831 S HA -0.146 4.343 4.470 0.031 0.000 0.229 831 S C 2.322 176.714 174.600 -0.347 0.000 1.021 831 S CA 1.561 59.359 58.200 -0.669 0.000 0.974 831 S CB -0.584 62.160 63.200 -0.761 0.000 0.800 831 S HN 0.607 nan 8.310 nan 0.000 0.484 832 K N 0.872 121.126 120.400 -0.244 0.000 2.113 832 K HA -0.018 4.321 4.320 0.031 0.000 0.208 832 K C 1.536 178.062 176.600 -0.124 0.000 1.047 832 K CA 1.855 58.050 56.287 -0.153 0.000 0.928 832 K CB -0.994 31.436 32.500 -0.117 0.000 0.716 832 K HN 0.341 nan 8.250 nan 0.000 0.446 833 V N 1.120 120.971 119.914 -0.106 0.000 2.940 833 V HA 0.167 4.306 4.120 0.031 0.000 0.366 833 V C 0.238 176.294 176.094 -0.063 0.000 1.353 833 V CA -0.551 61.712 62.300 -0.061 0.000 1.232 833 V CB 0.377 32.200 31.823 0.001 0.000 1.278 833 V HN 0.478 nan 8.190 nan 0.000 0.546 834 K N 3.439 123.746 120.400 -0.155 0.000 2.220 834 K HA 0.309 4.648 4.320 0.031 0.000 0.283 834 K C -1.924 174.634 176.600 -0.069 0.000 1.098 834 K CA -1.058 55.162 56.287 -0.111 0.000 0.928 834 K CB 0.833 33.206 32.500 -0.211 0.000 1.214 834 K HN 0.275 nan 8.250 nan 0.000 0.442 835 P HA 0.000 nan 4.420 nan 0.000 0.216 835 P CA 0.000 63.084 63.100 -0.026 0.000 0.800 835 P CB 0.000 31.692 31.700 -0.013 0.000 0.726