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 3iyu_1_Y DATA FIRST_RESID 1 DATA SEQUENCE MASLIYRQLL TNSYTVDLSD EIQEIGSTKT QNVTINLGPF AQTGYAPVNW DATA SEQUENCE GXXXXXXXXX XXXXLDGPYQ PTTFNPPVDY WMLLAPTAAG VVVEGTNNTD DATA SEQUENCE RWLATILVEP NVTSETRSYT LFGTQEQITI ANASQTQWKF IDVVKTTQNG DATA SEQUENCE SYSQYGPLQS TPKLYAVMKH NGKIYTYNGE TPNVTTKYYS TTNYDSVNMT DATA SEQUENCE AFCDFYIIPR EEESTCTEYI NNGLXXXXXX XXXXXXXXXX XXXXXXXXXA DATA SEQUENCE NEDIVVSKTS LWKEMQYNRD ITIRFKFASS IVKSGGLGYK WSEISFKPAN DATA SEQUENCE YQYTYTRDGE EVTAHTTCSV NGMNDFNFNG GSLPTDFVIS RYEVIKENSY DATA SEQUENCE VYVDYWDDSQ AFRNMVYVRS LAANLNSVIC TGGDYSFALP VGQWPVMTGG DATA SEQUENCE AVSLHSAGVT LSTQFTDFVS LNSLRFRFRL TVEEPSFSIT RTRVSRLYGL DATA SEQUENCE PAANPNNGKE YYEVAGRFSL ISLVPSNDDY QTPITNSVTV RQDLERQLGE DATA SEQUENCE LREEFNALSQ EIAMSQLIDL ALLPLDMFSM FSGIKSTIDA AKSMATSVMK DATA SEQUENCE KFKKSGLANS VSTLTDSLSD AASSISRGAS IRSVGSSASA WTDVSTQITD DATA SEQUENCE VSSSVSSIST QTSTISRRLR LKEMATQTEG MNFDDISAAV LKTKIDRSTQ DATA SEQUENCE ISPNTLPDIV TEASEKFIPN RAYRVINNDE VFEAGTDGRF FAYRVETFDE DATA SEQUENCE IPFDVQKFAD LVTDSPVISA IIDFKTLKNL NDNYGISRQQ AFNLLRSDPR DATA SEQUENCE VLREFINQDN PIIRNRIEQL IMQCRL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.332 176.300 0.053 0.000 1.140 1 M CA 0.000 55.324 55.300 0.040 0.000 0.988 1 M CB 0.000 32.617 32.600 0.028 0.000 1.302 2 A N 0.905 123.743 122.820 0.031 0.000 1.927 2 A HA -0.175 4.145 4.320 0.000 0.000 0.220 2 A C 2.330 179.939 177.584 0.043 0.000 1.185 2 A CA 3.572 55.622 52.037 0.021 0.000 0.639 2 A CB -1.131 17.811 19.000 -0.097 0.000 0.820 2 A HN 0.693 nan 8.150 nan 0.000 0.451 3 S N -0.495 115.223 115.700 0.029 0.000 2.393 3 S HA -0.244 4.226 4.470 0.000 0.000 0.235 3 S C 1.808 176.477 174.600 0.115 0.000 1.061 3 S CA 1.900 60.140 58.200 0.067 0.000 1.129 3 S CB -0.629 62.608 63.200 0.061 0.000 1.011 3 S HN 0.490 nan 8.310 nan 0.000 0.436 4 L N 1.670 122.953 121.223 0.100 0.000 1.886 4 L HA -0.085 4.255 4.340 0.000 0.000 0.226 4 L C 2.428 179.381 176.870 0.138 0.000 1.091 4 L CA 1.802 56.705 54.840 0.104 0.000 0.799 4 L CB -0.923 41.187 42.059 0.085 0.000 0.889 4 L HN 0.554 nan 8.230 nan 0.000 0.429 5 I N -1.363 119.292 120.570 0.141 0.000 2.600 5 I HA -0.541 3.629 4.170 0.000 0.000 0.230 5 I C 2.480 178.701 176.117 0.173 0.000 0.913 5 I CA 2.300 63.696 61.300 0.161 0.000 1.228 5 I CB -0.472 37.647 38.000 0.197 0.000 0.943 5 I HN 0.230 nan 8.210 nan 0.000 0.391 6 Y N 1.154 121.471 120.300 0.028 0.000 2.079 6 Y HA -0.204 4.346 4.550 0.000 0.000 0.267 6 Y C 3.015 178.912 175.900 -0.004 0.000 1.104 6 Y CA 2.455 60.572 58.100 0.028 0.000 1.086 6 Y CB -1.000 37.538 38.460 0.130 0.000 0.989 6 Y HN 0.167 nan 8.280 nan 0.000 0.477 7 R N -0.253 120.401 120.500 0.256 0.000 2.113 7 R HA -0.269 4.071 4.340 0.000 0.000 0.244 7 R C 2.187 178.524 176.300 0.062 0.000 1.142 7 R CA 1.786 57.976 56.100 0.151 0.000 0.953 7 R CB -0.542 29.846 30.300 0.148 0.000 0.860 7 R HN 0.443 nan 8.270 nan 0.000 0.438 8 Q N 0.616 120.450 119.800 0.057 0.000 2.182 8 Q HA -0.236 4.104 4.340 0.000 0.000 0.213 8 Q C 2.199 178.168 176.000 -0.053 0.000 1.000 8 Q CA 1.723 57.536 55.803 0.017 0.000 0.889 8 Q CB -0.289 28.470 28.738 0.035 0.000 0.932 8 Q HN 0.449 nan 8.270 nan 0.000 0.415 9 L N -0.177 120.973 121.223 -0.122 0.000 1.948 9 L HA -0.201 4.139 4.340 0.000 0.000 0.212 9 L C 2.506 179.263 176.870 -0.187 0.000 1.074 9 L CA 1.001 55.697 54.840 -0.240 0.000 0.753 9 L CB -0.867 40.883 42.059 -0.514 0.000 0.888 9 L HN 0.197 nan 8.230 nan 0.000 0.432 10 L N -0.282 120.860 121.223 -0.135 0.000 2.357 10 L HA -0.224 4.116 4.340 0.000 0.000 0.220 10 L C 2.496 179.367 176.870 0.001 0.000 1.123 10 L CA 1.171 56.009 54.840 -0.004 0.000 0.782 10 L CB -1.001 41.127 42.059 0.115 0.000 0.910 10 L HN 0.433 nan 8.230 nan 0.000 0.442 11 T N -1.131 113.413 114.554 -0.015 0.000 2.851 11 T HA -0.060 4.290 4.350 0.000 0.000 0.262 11 T C 0.924 175.588 174.700 -0.059 0.000 1.043 11 T CA 0.940 63.048 62.100 0.015 0.000 1.140 11 T CB -0.166 68.720 68.868 0.030 0.000 0.872 11 T HN 0.283 nan 8.240 nan 0.000 0.446 12 N N 1.505 120.096 118.700 -0.181 0.000 2.994 12 N HA 0.214 4.954 4.740 0.000 0.000 0.306 12 N C 1.042 176.287 175.510 -0.441 0.000 1.348 12 N CA -0.186 52.606 53.050 -0.430 0.000 1.109 12 N CB 0.412 38.703 38.487 -0.327 0.000 1.415 12 N HN 0.336 nan 8.380 nan 0.000 0.529 13 S N -0.394 115.113 115.700 -0.320 0.000 2.502 13 S HA -0.108 4.362 4.470 0.000 0.000 0.228 13 S C 1.931 176.434 174.600 -0.162 0.000 1.061 13 S CA -0.176 57.911 58.200 -0.190 0.000 0.935 13 S CB -0.548 62.618 63.200 -0.056 0.000 0.809 13 S HN 0.471 nan 8.310 nan 0.000 0.510 14 Y N 2.650 122.946 120.300 -0.007 0.000 2.271 14 Y HA -0.117 4.433 4.550 0.000 0.000 0.284 14 Y C 1.979 177.873 175.900 -0.011 0.000 1.189 14 Y CA 1.351 59.447 58.100 -0.006 0.000 1.229 14 Y CB -2.025 36.433 38.460 -0.003 0.000 0.973 14 Y HN 0.218 nan 8.280 nan 0.000 0.537 15 T N 1.690 116.102 114.554 -0.236 0.000 2.737 15 T HA -0.204 4.146 4.350 0.000 0.000 0.265 15 T C 2.241 176.922 174.700 -0.031 0.000 1.038 15 T CA 2.470 64.523 62.100 -0.077 0.000 1.144 15 T CB -1.018 67.687 68.868 -0.271 0.000 0.866 15 T HN 0.521 nan 8.240 nan 0.000 0.434 16 V N 1.707 121.574 119.914 -0.079 0.000 2.285 16 V HA -0.379 3.741 4.120 0.000 0.000 0.260 16 V C 1.886 177.975 176.094 -0.008 0.000 1.089 16 V CA 2.399 64.671 62.300 -0.046 0.000 1.082 16 V CB -1.013 30.787 31.823 -0.038 0.000 0.681 16 V HN 0.403 nan 8.190 nan 0.000 0.452 17 D N 0.445 120.858 120.400 0.022 0.000 2.119 17 D HA -0.132 4.508 4.640 0.000 0.000 0.199 17 D C 2.296 178.613 176.300 0.028 0.000 0.987 17 D CA 2.174 56.192 54.000 0.030 0.000 0.858 17 D CB -0.314 40.515 40.800 0.049 0.000 1.008 17 D HN 0.501 nan 8.370 nan 0.000 0.450 18 L N 1.098 122.350 121.223 0.048 0.000 2.064 18 L HA -0.353 3.987 4.340 0.000 0.000 0.234 18 L C 2.891 179.772 176.870 0.019 0.000 1.103 18 L CA 2.224 57.087 54.840 0.039 0.000 0.824 18 L CB -1.237 40.858 42.059 0.060 0.000 0.919 18 L HN 0.155 nan 8.230 nan 0.000 0.447 19 S N -0.758 114.948 115.700 0.010 0.000 2.365 19 S HA -0.330 4.140 4.470 0.000 0.000 0.221 19 S C 1.843 176.440 174.600 -0.004 0.000 1.037 19 S CA 1.622 59.819 58.200 -0.004 0.000 1.060 19 S CB -0.793 62.394 63.200 -0.022 0.000 0.974 19 S HN 0.555 nan 8.310 nan 0.000 0.427 20 D N 1.552 121.949 120.400 -0.005 0.000 2.191 20 D HA -0.271 4.369 4.640 0.000 0.000 0.190 20 D C 1.937 178.237 176.300 0.000 0.000 1.007 20 D CA 2.061 56.058 54.000 -0.004 0.000 0.865 20 D CB -0.556 40.243 40.800 -0.001 0.000 0.929 20 D HN 0.786 nan 8.370 nan 0.000 0.447 21 E N -0.404 119.799 120.200 0.005 0.000 2.333 21 E HA -0.129 4.221 4.350 0.000 0.000 0.198 21 E C 2.394 178.996 176.600 0.003 0.000 1.007 21 E CA 0.227 56.630 56.400 0.005 0.000 0.845 21 E CB 0.015 29.720 29.700 0.009 0.000 0.766 21 E HN 0.426 nan 8.360 nan 0.000 0.507 22 I N 1.175 121.746 120.570 0.002 0.000 2.130 22 I HA -0.315 3.855 4.170 0.000 0.000 0.232 22 I C 2.661 178.777 176.117 -0.001 0.000 1.064 22 I CA 1.444 62.745 61.300 0.001 0.000 1.338 22 I CB -0.501 37.498 38.000 -0.001 0.000 1.084 22 I HN 0.170 nan 8.210 nan 0.000 0.404 23 Q N 0.861 120.660 119.800 -0.002 0.000 2.404 23 Q HA -0.291 4.049 4.340 0.000 0.000 0.214 23 Q C 1.688 177.687 176.000 -0.002 0.000 0.992 23 Q CA 1.985 57.786 55.803 -0.003 0.000 0.899 23 Q CB -0.414 28.321 28.738 -0.005 0.000 0.921 23 Q HN 0.632 nan 8.270 nan 0.000 0.453 24 E N 0.874 121.074 120.200 -0.001 0.000 2.048 24 E HA -0.029 4.321 4.350 0.000 0.000 0.193 24 E C 1.966 178.566 176.600 -0.000 0.000 0.956 24 E CA 0.451 56.851 56.400 -0.001 0.000 0.846 24 E CB -0.030 29.670 29.700 0.000 0.000 0.827 24 E HN 0.367 nan 8.360 nan 0.000 0.466 25 I N 1.405 121.976 120.570 0.000 0.000 2.118 25 I HA -0.260 3.910 4.170 0.000 0.000 0.241 25 I C 2.575 178.692 176.117 -0.000 0.000 1.070 25 I CA 1.431 62.731 61.300 0.000 0.000 1.327 25 I CB -0.869 37.132 38.000 0.001 0.000 1.034 25 I HN 0.372 nan 8.210 nan 0.000 0.405 26 G N 0.370 109.170 108.800 -0.000 0.000 2.624 26 G HA2 -0.327 3.633 3.960 0.000 0.000 0.221 26 G HA3 -0.327 3.633 3.960 0.000 0.000 0.221 26 G C 1.728 176.627 174.900 -0.001 0.000 1.169 26 G CA 1.512 46.612 45.100 -0.001 0.000 0.771 26 G HN 0.429 nan 8.290 nan 0.000 0.598 27 S N -0.191 115.508 115.700 -0.001 0.000 2.406 27 S HA -0.052 4.418 4.470 0.000 0.000 0.228 27 S C 2.434 177.033 174.600 -0.001 0.000 1.020 27 S CA 1.486 59.685 58.200 -0.001 0.000 0.965 27 S CB -0.301 62.898 63.200 -0.001 0.000 0.798 27 S HN 0.446 nan 8.310 nan 0.000 0.488 28 T N 1.612 116.166 114.554 -0.001 0.000 2.915 28 T HA -0.031 4.319 4.350 0.000 0.000 0.269 28 T C 1.655 176.355 174.700 -0.001 0.000 1.071 28 T CA 1.347 63.447 62.100 -0.001 0.000 1.132 28 T CB -0.013 68.855 68.868 -0.000 0.000 0.878 28 T HN 0.368 nan 8.240 nan 0.000 0.479 29 K N 0.471 120.871 120.400 -0.001 0.000 2.218 29 K HA 0.154 4.474 4.320 0.000 0.000 0.222 29 K C 0.030 176.630 176.600 -0.001 0.000 1.030 29 K CA 0.702 56.989 56.287 -0.001 0.000 0.946 29 K CB -0.128 32.371 32.500 -0.001 0.000 1.000 29 K HN 0.111 nan 8.250 nan 0.000 0.461 30 T N 0.469 115.022 114.554 -0.001 0.000 0.541 30 T HA -0.196 4.154 4.350 0.000 0.000 0.774 30 T C -0.546 174.153 174.700 -0.002 0.000 0.992 30 T CA 0.810 62.909 62.100 -0.001 0.000 4.077 30 T CB -0.586 68.281 68.868 -0.001 0.000 2.303 30 T HN 0.533 nan 8.240 nan 0.000 0.398 31 Q N 1.088 120.887 119.800 -0.002 0.000 2.180 31 Q HA 0.532 4.872 4.340 0.000 0.000 0.241 31 Q C -0.386 175.612 176.000 -0.002 0.000 0.970 31 Q CA -0.663 55.138 55.803 -0.002 0.000 0.919 31 Q CB 0.788 29.525 28.738 -0.002 0.000 1.222 31 Q HN 0.610 nan 8.270 nan 0.000 0.482 32 N N 0.793 119.492 118.700 -0.002 0.000 2.425 32 N HA 0.314 5.054 4.740 0.000 0.000 0.268 32 N C -1.022 174.486 175.510 -0.003 0.000 0.991 32 N CA -0.255 52.794 53.050 -0.003 0.000 0.931 32 N CB 1.289 39.775 38.487 -0.003 0.000 1.130 32 N HN 0.458 nan 8.380 nan 0.000 0.493 33 V N -0.287 119.625 119.914 -0.003 0.000 2.850 33 V HA 0.674 4.794 4.120 0.000 0.000 0.315 33 V C 0.473 176.565 176.094 -0.003 0.000 1.064 33 V CA -0.548 61.751 62.300 -0.003 0.000 0.979 33 V CB 1.630 33.452 31.823 -0.003 0.000 1.039 33 V HN 0.441 nan 8.190 nan 0.000 0.452 34 T N 3.708 118.260 114.554 -0.004 0.000 2.929 34 T HA 0.649 4.999 4.350 0.000 0.000 0.284 34 T C -0.010 174.687 174.700 -0.004 0.000 1.014 34 T CA -0.205 61.893 62.100 -0.004 0.000 1.051 34 T CB 1.279 70.144 68.868 -0.005 0.000 1.028 34 T HN 0.971 nan 8.240 nan 0.000 0.485 35 I N 0.458 121.026 120.570 -0.005 0.000 2.321 35 I HA 0.537 4.707 4.170 0.000 0.000 0.291 35 I C -0.192 175.922 176.117 -0.005 0.000 0.998 35 I CA -0.749 60.549 61.300 -0.004 0.000 1.227 35 I CB 0.790 38.787 38.000 -0.004 0.000 1.368 35 I HN 0.241 nan 8.210 nan 0.000 0.466 36 N N 6.540 125.237 118.700 -0.004 0.000 3.034 36 N HA 0.398 5.138 4.740 0.000 0.000 0.265 36 N C -1.237 174.270 175.510 -0.005 0.000 1.166 36 N CA -0.116 52.930 53.050 -0.007 0.000 1.081 36 N CB 0.281 38.764 38.487 -0.006 0.000 1.378 36 N HN 0.641 nan 8.380 nan 0.000 0.520 37 L N -0.038 121.182 121.223 -0.005 0.000 2.388 37 L HA 0.825 5.165 4.340 0.000 0.000 0.264 37 L C 0.315 177.180 176.870 -0.008 0.000 0.998 37 L CA -0.261 54.580 54.840 0.001 0.000 0.817 37 L CB 2.043 44.107 42.059 0.009 0.000 1.338 37 L HN 0.384 nan 8.230 nan 0.000 0.414 38 G N 3.211 112.007 108.800 -0.008 0.000 2.465 38 G HA2 0.002 3.962 3.960 0.000 0.000 0.230 38 G HA3 0.002 3.962 3.960 0.000 0.000 0.230 38 G C -2.359 172.491 174.900 -0.083 0.000 1.324 38 G CA 0.121 45.205 45.100 -0.026 0.000 0.878 38 G HN 0.559 nan 8.290 nan 0.000 0.497 39 P HA 0.341 nan 4.420 nan 0.000 0.228 39 P C 0.116 176.966 177.300 -0.749 0.000 1.166 39 P CA 0.597 63.506 63.100 -0.318 0.000 0.812 39 P CB 0.393 32.069 31.700 -0.039 0.000 0.857 40 F N -0.858 119.089 119.950 -0.005 0.000 2.715 40 F HA 0.590 5.117 4.527 0.000 0.000 0.318 40 F C -0.046 175.743 175.800 -0.018 0.000 1.141 40 F CA -1.566 56.430 58.000 -0.007 0.000 0.950 40 F CB 0.498 39.491 39.000 -0.011 0.000 1.374 40 F HN -0.264 nan 8.300 nan 0.000 0.477 41 A N 0.930 123.862 122.820 0.187 0.000 2.498 41 A HA 0.225 4.545 4.320 0.000 0.000 0.239 41 A C 0.888 178.487 177.584 0.025 0.000 1.068 41 A CA -0.307 51.780 52.037 0.084 0.000 0.766 41 A CB 0.366 19.420 19.000 0.090 0.000 1.003 41 A HN 0.763 nan 8.150 nan 0.000 0.497 42 Q N 1.045 120.844 119.800 -0.001 0.000 2.119 42 Q HA -0.057 4.283 4.340 0.000 0.000 0.201 42 Q C 0.570 176.509 176.000 -0.102 0.000 0.972 42 Q CA 1.247 57.024 55.803 -0.044 0.000 0.847 42 Q CB -1.141 27.578 28.738 -0.030 0.000 0.903 42 Q HN 0.927 nan 8.270 nan 0.000 0.433 43 T N 1.272 115.791 114.554 -0.058 0.000 2.288 43 T HA 0.038 4.388 4.350 0.000 0.000 0.206 43 T C 0.442 175.056 174.700 -0.144 0.000 1.007 43 T CA 0.848 62.926 62.100 -0.036 0.000 1.345 43 T CB -0.108 68.800 68.868 0.065 0.000 0.995 43 T HN 0.512 nan 8.240 nan 0.000 0.401 44 G N 1.559 110.315 108.800 -0.072 0.000 2.827 44 G HA2 0.635 4.595 3.960 0.000 0.000 0.296 44 G HA3 0.635 4.595 3.960 0.000 0.000 0.296 44 G C -1.192 173.686 174.900 -0.037 0.000 1.362 44 G CA -1.209 43.762 45.100 -0.216 0.000 0.809 44 G HN 0.695 nan 8.290 nan 0.000 0.522 45 Y N -1.084 119.268 120.300 0.087 0.000 2.301 45 Y HA 0.592 5.142 4.550 0.000 0.000 0.328 45 Y C 0.859 176.783 175.900 0.041 0.000 1.242 45 Y CA -0.675 57.443 58.100 0.029 0.000 1.323 45 Y CB 1.403 39.714 38.460 -0.248 0.000 1.266 45 Y HN 0.551 nan 8.280 nan 0.000 0.527 46 A N 1.904 124.861 122.820 0.227 0.000 2.610 46 A HA 0.498 4.818 4.320 0.000 0.000 0.291 46 A C -2.479 175.169 177.584 0.107 0.000 1.116 46 A CA -0.549 51.577 52.037 0.148 0.000 0.963 46 A CB -0.630 18.454 19.000 0.140 0.000 1.220 46 A HN 0.665 nan 8.150 nan 0.000 0.530 47 P HA 0.489 nan 4.420 nan 0.000 0.360 47 P C -1.487 175.754 177.300 -0.098 0.000 1.678 47 P CA -0.296 62.800 63.100 -0.007 0.000 1.453 47 P CB 2.165 33.867 31.700 0.005 0.000 2.241 48 V N 3.611 123.431 119.914 -0.157 0.000 2.567 48 V HA 0.631 4.751 4.120 0.000 0.000 0.289 48 V C 0.337 176.101 176.094 -0.550 0.000 1.049 48 V CA 0.114 62.252 62.300 -0.270 0.000 0.969 48 V CB 1.049 32.766 31.823 -0.176 0.000 0.995 48 V HN 0.736 nan 8.190 nan 0.000 0.471 49 N N 2.042 120.238 118.700 -0.840 0.000 3.439 49 N HA 0.372 5.112 4.740 0.000 0.000 0.285 49 N C -2.033 172.768 175.510 -1.182 0.000 1.386 49 N CA -0.338 51.900 53.050 -1.353 0.000 0.824 49 N CB 1.528 39.594 38.487 -0.702 0.000 1.632 49 N HN 0.830 nan 8.380 nan 0.000 0.421 50 W N 0.225 121.449 121.300 -0.126 0.000 1.436 50 W HA 0.311 4.971 4.660 0.000 0.000 0.321 50 W C -0.006 176.418 176.519 -0.158 0.000 1.022 50 W CA -1.054 56.222 57.345 -0.113 0.000 0.796 50 W CB -0.842 28.594 29.460 -0.040 0.000 0.726 50 W HN 0.582 nan 8.180 nan 0.000 0.317 66 D N 3.111 123.678 120.400 0.277 0.000 2.359 66 D HA 0.773 5.413 4.640 0.000 0.000 0.230 66 D C 0.356 176.803 176.300 0.244 0.000 1.118 66 D CA 1.221 55.373 54.000 0.253 0.000 0.844 66 D CB 1.218 42.205 40.800 0.312 0.000 1.059 66 D HN 0.901 nan 8.370 nan 0.000 0.493 67 G N 3.227 111.971 108.800 -0.093 0.000 2.352 67 G HA2 0.154 4.114 3.960 0.000 0.000 0.283 67 G HA3 0.154 4.114 3.960 0.000 0.000 0.283 67 G C -2.869 171.755 174.900 -0.459 0.000 1.308 67 G CA -0.852 43.871 45.100 -0.628 0.000 0.892 67 G HN 0.451 nan 8.290 nan 0.000 0.504 68 P HA 0.495 nan 4.420 nan 0.000 0.278 68 P C -1.444 175.250 177.300 -1.010 0.000 1.238 68 P CA -0.015 62.404 63.100 -1.134 0.000 0.794 68 P CB 0.758 31.953 31.700 -0.843 0.000 0.955 69 Y N 0.103 119.842 120.300 -0.934 0.000 2.420 69 Y HA 0.225 4.775 4.550 0.000 0.000 0.334 69 Y C 1.310 176.787 175.900 -0.705 0.000 1.094 69 Y CA -0.632 56.917 58.100 -0.918 0.000 1.126 69 Y CB 1.410 38.961 38.460 -1.515 0.000 1.217 69 Y HN 0.260 nan 8.280 nan 0.000 0.462 70 Q N 2.834 122.493 119.800 -0.235 0.000 2.382 70 Q HA 0.262 4.602 4.340 0.000 0.000 0.229 70 Q C -2.392 173.657 176.000 0.082 0.000 1.006 70 Q CA -1.973 53.779 55.803 -0.085 0.000 0.916 70 Q CB 0.299 29.001 28.738 -0.060 0.000 1.235 70 Q HN 0.364 nan 8.270 nan 0.000 0.512 71 P HA -0.018 nan 4.420 nan 0.000 0.264 71 P C -0.447 176.908 177.300 0.093 0.000 1.183 71 P CA 0.791 63.977 63.100 0.144 0.000 0.763 71 P CB 0.541 32.294 31.700 0.089 0.000 0.807 72 T N 1.246 115.840 114.554 0.067 0.000 2.722 72 T HA 0.373 4.723 4.350 0.000 0.000 0.314 72 T C -1.427 173.274 174.700 0.001 0.000 1.675 72 T CA -0.451 61.667 62.100 0.029 0.000 1.003 72 T CB 0.652 69.550 68.868 0.051 0.000 1.602 72 T HN 0.125 nan 8.240 nan 0.000 0.496 73 T N 3.007 117.578 114.554 0.028 0.000 2.771 73 T HA 0.769 5.119 4.350 0.000 0.000 0.281 73 T C -0.795 174.020 174.700 0.191 0.000 0.982 73 T CA -0.396 61.733 62.100 0.049 0.000 0.978 73 T CB -0.039 68.828 68.868 -0.002 0.000 0.930 73 T HN 0.529 nan 8.240 nan 0.000 0.447 74 F N 0.922 120.799 119.950 -0.121 0.000 2.789 74 F HA 0.687 5.214 4.527 0.000 0.000 0.319 74 F C -1.101 174.635 175.800 -0.106 0.000 1.168 74 F CA -1.418 56.519 58.000 -0.105 0.000 0.934 74 F CB 1.464 40.396 39.000 -0.113 0.000 1.375 74 F HN 0.293 nan 8.300 nan 0.000 0.480 75 N N 2.823 121.311 118.700 -0.354 0.000 2.699 75 N HA 0.451 5.191 4.740 0.000 0.000 0.232 75 N C -3.002 172.168 175.510 -0.566 0.000 1.027 75 N CA -2.445 50.352 53.050 -0.423 0.000 0.920 75 N CB 0.695 39.082 38.487 -0.167 0.000 1.148 75 N HN 0.347 nan 8.380 nan 0.000 0.509 76 P HA 0.240 nan 4.420 nan 0.000 0.271 76 P C -2.697 174.482 177.300 -0.203 0.000 1.218 76 P CA -1.050 61.712 63.100 -0.564 0.000 0.780 76 P CB -0.100 31.271 31.700 -0.548 0.000 0.901 77 P HA -0.023 nan 4.420 nan 0.000 0.272 77 P C -0.004 177.342 177.300 0.077 0.000 1.223 77 P CA -0.056 63.038 63.100 -0.009 0.000 0.784 77 P CB 0.282 31.942 31.700 -0.066 0.000 0.923 78 V N -1.562 118.390 119.914 0.064 0.000 3.096 78 V HA 0.135 4.255 4.120 0.000 0.000 0.306 78 V C 0.303 176.522 176.094 0.207 0.000 1.088 78 V CA -0.028 62.337 62.300 0.108 0.000 1.129 78 V CB -0.881 31.003 31.823 0.100 0.000 1.014 78 V HN 0.637 nan 8.190 nan 0.000 0.486 79 D N 0.248 120.714 120.400 0.111 0.000 2.870 79 D HA -0.189 4.451 4.640 0.000 0.000 0.228 79 D C -0.809 175.367 176.300 -0.208 0.000 1.147 79 D CA 1.503 55.466 54.000 -0.062 0.000 0.757 79 D CB -1.771 39.022 40.800 -0.012 0.000 1.091 79 D HN 0.809 nan 8.370 nan 0.000 0.429 80 Y N -1.161 119.069 120.300 -0.117 0.000 2.442 80 Y HA 0.467 5.017 4.550 0.000 0.000 0.344 80 Y C -0.067 175.799 175.900 -0.057 0.000 0.976 80 Y CA -1.053 57.038 58.100 -0.015 0.000 1.040 80 Y CB 1.046 39.563 38.460 0.096 0.000 1.228 80 Y HN -0.119 nan 8.280 nan 0.000 0.451 81 W N 4.811 126.234 121.300 0.204 0.000 2.316 81 W HA 0.494 5.154 4.660 0.000 0.000 0.311 81 W C -0.001 176.679 176.519 0.269 0.000 1.217 81 W CA -0.583 56.883 57.345 0.201 0.000 1.199 81 W CB 0.990 30.557 29.460 0.178 0.000 1.202 81 W HN 0.308 nan 8.180 nan 0.000 0.528 82 M N 5.578 125.478 119.600 0.501 0.000 2.111 82 M HA 0.280 4.760 4.480 0.000 0.000 0.351 82 M C -1.034 175.512 176.300 0.411 0.000 1.214 82 M CA -0.968 54.586 55.300 0.422 0.000 1.120 82 M CB 0.149 32.887 32.600 0.230 0.000 1.443 82 M HN 0.343 nan 8.290 nan 0.000 0.429 83 L N 6.828 128.312 121.223 0.436 0.000 2.278 83 L HA 0.476 4.816 4.340 0.000 0.000 0.287 83 L C -1.589 175.512 176.870 0.386 0.000 1.072 83 L CA 0.105 55.135 54.840 0.318 0.000 0.819 83 L CB 0.575 42.783 42.059 0.249 0.000 1.176 83 L HN 0.671 nan 8.230 nan 0.000 0.435 84 L N 5.658 127.050 121.223 0.283 0.000 2.309 84 L HA 0.717 5.057 4.340 0.000 0.000 0.282 84 L C 0.304 177.315 176.870 0.235 0.000 1.036 84 L CA -0.328 54.689 54.840 0.296 0.000 0.806 84 L CB 1.665 43.887 42.059 0.271 0.000 1.220 84 L HN 0.758 nan 8.230 nan 0.000 0.429 85 A N 4.138 127.100 122.820 0.237 0.000 3.165 85 A HA 0.543 4.863 4.320 0.000 0.000 0.331 85 A C -2.401 175.256 177.584 0.122 0.000 1.034 85 A CA -1.245 50.895 52.037 0.171 0.000 0.906 85 A CB -0.491 18.634 19.000 0.207 0.000 1.054 85 A HN 0.392 nan 8.150 nan 0.000 0.484 86 P HA 0.159 nan 4.420 nan 0.000 0.272 86 P C 0.689 177.965 177.300 -0.040 0.000 1.223 86 P CA 0.298 63.432 63.100 0.058 0.000 0.784 86 P CB 1.219 32.960 31.700 0.068 0.000 0.923 87 T N -2.123 112.415 114.554 -0.027 0.000 2.969 87 T HA 0.455 4.805 4.350 0.000 0.000 0.250 87 T C 0.678 175.354 174.700 -0.040 0.000 1.021 87 T CA 0.042 62.118 62.100 -0.041 0.000 1.003 87 T CB 0.069 68.943 68.868 0.010 0.000 1.040 87 T HN 0.566 nan 8.240 nan 0.000 0.492 88 A N 0.953 123.760 122.820 -0.022 0.000 2.380 88 A HA 0.912 5.232 4.320 0.000 0.000 0.315 88 A C 0.174 177.774 177.584 0.027 0.000 1.101 88 A CA -0.666 51.392 52.037 0.036 0.000 0.771 88 A CB 1.112 20.142 19.000 0.050 0.000 1.287 88 A HN 0.689 nan 8.150 nan 0.000 0.436 89 A N 0.096 122.998 122.820 0.136 0.000 2.466 89 A HA 0.645 4.965 4.320 0.000 0.000 0.238 89 A C 0.997 178.636 177.584 0.090 0.000 1.074 89 A CA 1.000 53.128 52.037 0.152 0.000 0.774 89 A CB -0.279 18.850 19.000 0.214 0.000 1.015 89 A HN 2.851 nan 8.150 nan 0.000 0.498 90 G N -1.100 107.756 108.800 0.093 0.000 2.315 90 G HA2 0.302 4.262 3.960 0.000 0.000 0.296 90 G HA3 0.302 4.262 3.960 0.000 0.000 0.296 90 G C -0.698 174.199 174.900 -0.004 0.000 1.289 90 G CA -0.410 44.762 45.100 0.120 0.000 0.996 90 G HN 1.463 nan 8.290 nan 0.000 0.487 91 V N 0.838 120.702 119.914 -0.083 0.000 2.572 91 V HA 0.307 4.427 4.120 0.000 0.000 0.291 91 V C 1.552 177.632 176.094 -0.024 0.000 1.039 91 V CA 0.406 62.596 62.300 -0.184 0.000 1.055 91 V CB 1.012 32.575 31.823 -0.433 0.000 0.969 91 V HN 0.819 nan 8.190 nan 0.000 0.482 92 V N 4.854 124.836 119.914 0.114 0.000 2.581 92 V HA 0.216 4.336 4.120 0.000 0.000 0.240 92 V C 0.438 176.754 176.094 0.369 0.000 1.054 92 V CA 0.929 63.377 62.300 0.247 0.000 1.076 92 V CB 1.077 33.042 31.823 0.236 0.000 0.748 92 V HN 0.591 nan 8.190 nan 0.000 0.474 93 V N 0.694 120.802 119.914 0.323 0.000 3.147 93 V HA 0.581 4.701 4.120 0.000 0.000 0.299 93 V C -2.113 174.097 176.094 0.193 0.000 1.302 93 V CA -0.458 61.980 62.300 0.230 0.000 1.015 93 V CB 2.368 34.283 31.823 0.154 0.000 1.086 93 V HN 0.701 nan 8.190 nan 0.000 0.437 94 E N 3.804 124.065 120.200 0.101 0.000 2.366 94 E HA 0.826 5.176 4.350 0.000 0.000 0.278 94 E C -0.795 175.862 176.600 0.095 0.000 0.923 94 E CA -0.655 55.763 56.400 0.030 0.000 0.761 94 E CB 2.451 31.948 29.700 -0.339 0.000 1.231 94 E HN 1.207 nan 8.360 nan 0.000 0.443 95 G N 0.484 109.462 108.800 0.296 0.000 2.718 95 G HA2 0.580 4.540 3.960 0.000 0.000 0.295 95 G HA3 0.580 4.540 3.960 0.000 0.000 0.295 95 G C -1.467 173.576 174.900 0.239 0.000 1.421 95 G CA -0.289 44.958 45.100 0.245 0.000 0.902 95 G HN 0.507 nan 8.290 nan 0.000 0.501 96 T N -1.112 113.429 114.554 -0.021 0.000 2.894 96 T HA 0.437 4.787 4.350 0.000 0.000 0.309 96 T C 0.104 174.540 174.700 -0.439 0.000 1.208 96 T CA -0.423 61.394 62.100 -0.471 0.000 1.016 96 T CB 1.531 69.710 68.868 -1.149 0.000 1.192 96 T HN 0.692 nan 8.240 nan 0.000 0.491 97 N N 2.354 120.724 118.700 -0.550 0.000 2.270 97 N HA 0.132 4.872 4.740 0.000 0.000 0.198 97 N C 0.452 175.696 175.510 -0.442 0.000 1.117 97 N CA -0.115 52.706 53.050 -0.381 0.000 0.845 97 N CB -0.325 38.004 38.487 -0.263 0.000 0.980 97 N HN 0.656 nan 8.380 nan 0.000 0.486 98 N N -1.146 117.107 118.700 -0.746 0.000 2.863 98 N HA -0.202 4.538 4.740 0.000 0.000 0.245 98 N C 0.250 175.582 175.510 -0.296 0.000 1.001 98 N CA 1.814 54.556 53.050 -0.513 0.000 0.901 98 N CB -1.506 36.876 38.487 -0.174 0.000 1.124 98 N HN 0.737 nan 8.380 nan 0.000 0.582 99 T N -3.592 110.718 114.554 -0.407 0.000 3.361 99 T HA 0.088 4.438 4.350 0.000 0.000 0.241 99 T C 0.767 175.500 174.700 0.056 0.000 0.998 99 T CA 0.759 62.818 62.100 -0.069 0.000 1.215 99 T CB 0.083 68.914 68.868 -0.062 0.000 1.196 99 T HN 0.051 nan 8.240 nan 0.000 0.376 100 D N 0.177 120.548 120.400 -0.048 0.000 2.513 100 D HA 0.368 5.008 4.640 0.000 0.000 0.222 100 D C 0.307 176.648 176.300 0.069 0.000 1.210 100 D CA -0.452 53.598 54.000 0.083 0.000 0.825 100 D CB 0.472 41.301 40.800 0.049 0.000 1.037 100 D HN 0.334 nan 8.370 nan 0.000 0.506 101 R N 0.137 120.558 120.500 -0.130 0.000 2.515 101 R HA 0.419 4.759 4.340 0.000 0.000 0.278 101 R C -2.284 173.856 176.300 -0.266 0.000 1.107 101 R CA -0.488 55.581 56.100 -0.051 0.000 0.945 101 R CB 0.890 31.147 30.300 -0.071 0.000 1.219 101 R HN 0.047 nan 8.270 nan 0.000 0.434 102 W N 6.335 127.582 121.300 -0.087 0.000 2.739 102 W HA 0.570 5.230 4.660 0.000 0.000 0.331 102 W C -1.204 175.394 176.519 0.131 0.000 1.049 102 W CA -0.957 56.335 57.345 -0.089 0.000 1.234 102 W CB 2.224 31.514 29.460 -0.284 0.000 1.404 102 W HN 0.429 nan 8.180 nan 0.000 0.477 103 L N 3.199 124.690 121.223 0.447 0.000 2.436 103 L HA 0.832 5.172 4.340 0.000 0.000 0.268 103 L C -1.052 176.051 176.870 0.389 0.000 0.974 103 L CA -0.215 54.810 54.840 0.309 0.000 0.826 103 L CB 1.576 43.672 42.059 0.062 0.000 1.291 103 L HN 0.399 nan 8.230 nan 0.000 0.406 104 A N 2.793 125.776 122.820 0.272 0.000 2.374 104 A HA 0.754 5.074 4.320 0.000 0.000 0.305 104 A C -0.709 176.904 177.584 0.047 0.000 1.053 104 A CA -0.457 51.643 52.037 0.106 0.000 0.726 104 A CB 1.639 20.613 19.000 -0.043 0.000 1.229 104 A HN 0.589 nan 8.150 nan 0.000 0.431 105 T N 3.113 117.704 114.554 0.062 0.000 2.767 105 T HA 0.548 4.898 4.350 0.000 0.000 0.288 105 T C -0.092 174.575 174.700 -0.054 0.000 0.963 105 T CA 0.209 62.325 62.100 0.027 0.000 1.019 105 T CB 0.167 69.073 68.868 0.063 0.000 0.923 105 T HN 0.441 nan 8.240 nan 0.000 0.468 106 I N 3.323 123.812 120.570 -0.134 0.000 2.493 106 I HA 0.431 4.601 4.170 0.000 0.000 0.298 106 I C -0.667 175.359 176.117 -0.153 0.000 0.998 106 I CA -1.150 60.017 61.300 -0.221 0.000 1.137 106 I CB 1.789 39.481 38.000 -0.514 0.000 1.310 106 I HN 0.326 nan 8.210 nan 0.000 0.445 107 L N 7.741 128.870 121.223 -0.158 0.000 2.272 107 L HA 0.536 4.876 4.340 0.000 0.000 0.289 107 L C -0.705 176.129 176.870 -0.059 0.000 1.032 107 L CA -0.236 54.428 54.840 -0.294 0.000 0.810 107 L CB 1.320 43.126 42.059 -0.422 0.000 1.205 107 L HN 0.292 nan 8.230 nan 0.000 0.422 108 V N 4.493 124.394 119.914 -0.021 0.000 2.483 108 V HA 0.436 4.556 4.120 0.000 0.000 0.295 108 V C 0.074 176.225 176.094 0.094 0.000 1.035 108 V CA -0.846 61.491 62.300 0.061 0.000 0.896 108 V CB 1.611 33.449 31.823 0.025 0.000 0.986 108 V HN 0.752 nan 8.190 nan 0.000 0.447 109 E N 5.054 125.255 120.200 0.003 0.000 2.422 109 E HA 0.207 4.557 4.350 0.000 0.000 0.260 109 E C -2.471 173.914 176.600 -0.359 0.000 1.108 109 E CA -1.122 55.077 56.400 -0.335 0.000 0.943 109 E CB -0.069 29.467 29.700 -0.273 0.000 0.961 109 E HN 0.465 nan 8.360 nan 0.000 0.443 110 P HA -0.045 nan 4.420 nan 0.000 0.267 110 P C -0.720 176.450 177.300 -0.217 0.000 1.200 110 P CA 0.311 63.197 63.100 -0.357 0.000 0.772 110 P CB 0.309 31.759 31.700 -0.417 0.000 0.855 111 N N 1.067 119.685 118.700 -0.138 0.000 2.648 111 N HA -0.137 4.603 4.740 0.000 0.000 0.265 111 N C -1.669 173.795 175.510 -0.077 0.000 1.100 111 N CA 0.558 53.552 53.050 -0.094 0.000 0.715 111 N CB -1.228 37.200 38.487 -0.097 0.000 0.881 111 N HN 0.048 nan 8.380 nan 0.000 0.548 112 V N 2.012 121.892 119.914 -0.058 0.000 2.443 112 V HA 0.401 4.521 4.120 0.000 0.000 0.293 112 V C 0.687 176.766 176.094 -0.025 0.000 1.021 112 V CA -0.671 61.605 62.300 -0.041 0.000 0.848 112 V CB 1.828 33.631 31.823 -0.034 0.000 0.998 112 V HN 0.394 nan 8.190 nan 0.000 0.424 113 T N 2.958 117.499 114.554 -0.023 0.000 2.913 113 T HA 0.115 4.465 4.350 0.000 0.000 0.297 113 T C 0.677 175.372 174.700 -0.009 0.000 1.029 113 T CA 0.278 62.369 62.100 -0.015 0.000 1.104 113 T CB 1.018 69.876 68.868 -0.016 0.000 0.964 113 T HN 0.799 nan 8.240 nan 0.000 0.532 114 S N 2.692 118.389 115.700 -0.004 0.000 3.116 114 S HA -0.056 4.414 4.470 0.000 0.000 0.367 114 S C 0.048 174.648 174.600 -0.001 0.000 1.202 114 S CA 0.421 58.622 58.200 0.001 0.000 1.018 114 S CB -0.569 62.632 63.200 0.001 0.000 0.726 114 S HN 0.754 nan 8.310 nan 0.000 0.506 115 E N 2.555 122.757 120.200 0.004 0.000 2.390 115 E HA 0.408 4.758 4.350 0.000 0.000 0.280 115 E C -1.432 175.171 176.600 0.006 0.000 0.992 115 E CA -1.118 55.281 56.400 -0.002 0.000 0.790 115 E CB 0.722 30.415 29.700 -0.012 0.000 1.248 115 E HN 0.325 nan 8.360 nan 0.000 0.447 116 T N 1.865 116.417 114.554 -0.003 0.000 2.806 116 T HA 0.457 4.807 4.350 0.000 0.000 0.290 116 T C -0.366 174.314 174.700 -0.035 0.000 0.966 116 T CA -0.540 61.560 62.100 -0.000 0.000 1.060 116 T CB 0.567 69.434 68.868 -0.001 0.000 0.927 116 T HN 0.284 nan 8.240 nan 0.000 0.485 117 R N 1.387 121.859 120.500 -0.047 0.000 2.854 117 R HA 0.640 4.980 4.340 0.000 0.000 0.271 117 R C -0.689 175.458 176.300 -0.255 0.000 0.994 117 R CA -0.853 55.128 56.100 -0.198 0.000 0.945 117 R CB 1.830 31.929 30.300 -0.336 0.000 1.194 117 R HN 0.471 nan 8.270 nan 0.000 0.476 118 S N 1.151 116.628 115.700 -0.370 0.000 2.462 118 S HA 0.489 4.959 4.470 0.000 0.000 0.294 118 S C -1.308 173.002 174.600 -0.484 0.000 1.144 118 S CA -0.467 57.566 58.200 -0.277 0.000 1.088 118 S CB 0.492 63.589 63.200 -0.170 0.000 1.009 118 S HN 0.326 nan 8.310 nan 0.000 0.484 119 Y N 0.276 120.524 120.300 -0.086 0.000 2.512 119 Y HA 0.365 4.915 4.550 0.000 0.000 0.348 119 Y C 0.468 176.294 175.900 -0.123 0.000 0.990 119 Y CA -0.967 57.059 58.100 -0.122 0.000 1.033 119 Y CB 1.717 40.082 38.460 -0.158 0.000 1.259 119 Y HN 0.377 nan 8.280 nan 0.000 0.461 120 T N 4.844 119.407 114.554 0.016 0.000 2.727 120 T HA 0.483 4.833 4.350 0.000 0.000 0.298 120 T C -0.533 174.121 174.700 -0.077 0.000 0.942 120 T CA -0.386 61.697 62.100 -0.027 0.000 0.997 120 T CB -0.357 68.476 68.868 -0.058 0.000 0.917 120 T HN 0.291 nan 8.240 nan 0.000 0.487 121 L N 4.171 125.383 121.223 -0.019 0.000 2.325 121 L HA 0.486 4.826 4.340 0.000 0.000 0.281 121 L C -0.217 176.763 176.870 0.182 0.000 1.004 121 L CA -1.056 53.752 54.840 -0.053 0.000 0.823 121 L CB 0.800 42.818 42.059 -0.069 0.000 1.236 121 L HN 0.685 nan 8.230 nan 0.000 0.415 122 F N 2.588 122.656 119.950 0.198 0.000 3.067 122 F HA -0.257 4.270 4.527 0.000 0.000 0.279 122 F C 1.494 177.399 175.800 0.176 0.000 0.945 122 F CA 0.929 59.071 58.000 0.237 0.000 0.948 122 F CB -1.741 37.452 39.000 0.322 0.000 0.898 122 F HN 0.898 nan 8.300 nan 0.000 0.746 123 G N -1.130 107.792 108.800 0.203 0.000 2.184 123 G HA2 -0.264 3.696 3.960 0.000 0.000 0.264 123 G HA3 -0.264 3.696 3.960 0.000 0.000 0.264 123 G C 0.193 175.168 174.900 0.124 0.000 0.975 123 G CA 0.445 45.638 45.100 0.155 0.000 0.642 123 G HN 0.655 nan 8.290 nan 0.000 0.536 124 T N 0.245 114.883 114.554 0.139 0.000 2.863 124 T HA 0.550 4.900 4.350 0.000 0.000 0.285 124 T C -0.069 174.682 174.700 0.085 0.000 1.009 124 T CA -0.298 61.867 62.100 0.108 0.000 0.989 124 T CB 2.092 71.035 68.868 0.125 0.000 1.004 124 T HN 0.429 nan 8.240 nan 0.000 0.455 125 Q N 2.316 122.149 119.800 0.056 0.000 2.313 125 Q HA 0.153 4.493 4.340 0.000 0.000 0.266 125 Q C -0.725 175.307 176.000 0.053 0.000 0.989 125 Q CA 0.198 56.022 55.803 0.036 0.000 0.890 125 Q CB 0.477 29.223 28.738 0.013 0.000 1.200 125 Q HN 0.456 nan 8.270 nan 0.000 0.396 126 E N 3.274 123.506 120.200 0.053 0.000 2.293 126 E HA 0.260 4.610 4.350 0.000 0.000 0.270 126 E C -1.139 175.498 176.600 0.061 0.000 0.879 126 E CA -0.860 55.583 56.400 0.071 0.000 0.756 126 E CB 1.901 31.632 29.700 0.050 0.000 1.208 126 E HN 0.582 nan 8.360 nan 0.000 0.428 127 Q N 1.923 121.761 119.800 0.063 0.000 2.278 127 Q HA 0.498 4.838 4.340 0.000 0.000 0.257 127 Q C -0.195 175.856 176.000 0.084 0.000 0.928 127 Q CA -0.420 55.413 55.803 0.050 0.000 0.932 127 Q CB 1.548 30.305 28.738 0.031 0.000 1.221 127 Q HN 0.409 nan 8.270 nan 0.000 0.434 128 I N 1.884 122.523 120.570 0.114 0.000 2.533 128 I HA 0.257 4.427 4.170 0.000 0.000 0.290 128 I C -0.118 176.064 176.117 0.109 0.000 1.056 128 I CA -0.535 60.839 61.300 0.123 0.000 1.057 128 I CB 2.126 40.220 38.000 0.155 0.000 1.240 128 I HN 0.316 nan 8.210 nan 0.000 0.423 129 T N 7.210 121.806 114.554 0.071 0.000 2.728 129 T HA 0.604 4.954 4.350 0.000 0.000 0.296 129 T C 0.039 174.771 174.700 0.053 0.000 0.940 129 T CA -0.198 61.933 62.100 0.052 0.000 1.013 129 T CB 0.432 69.319 68.868 0.032 0.000 0.912 129 T HN 0.469 nan 8.240 nan 0.000 0.484 130 I N 0.780 121.386 120.570 0.060 0.000 3.108 130 I HA 1.032 5.202 4.170 0.000 0.000 0.312 130 I C -0.483 175.653 176.117 0.032 0.000 1.095 130 I CA -1.537 59.794 61.300 0.052 0.000 1.000 130 I CB 1.758 39.811 38.000 0.088 0.000 1.229 130 I HN 0.644 nan 8.210 nan 0.000 0.454 131 A N 2.090 124.924 122.820 0.023 0.000 2.610 131 A HA 0.812 5.132 4.320 0.000 0.000 0.291 131 A C -1.788 175.801 177.584 0.008 0.000 1.086 131 A CA -0.553 51.491 52.037 0.011 0.000 0.677 131 A CB 1.548 20.552 19.000 0.007 0.000 1.278 131 A HN 0.850 nan 8.150 nan 0.000 0.414 132 N N -0.181 118.516 118.700 -0.005 0.000 2.571 132 N HA 0.495 5.235 4.740 0.000 0.000 0.286 132 N C 0.288 175.789 175.510 -0.015 0.000 1.138 132 N CA 0.238 53.284 53.050 -0.008 0.000 0.859 132 N CB 1.830 40.301 38.487 -0.026 0.000 1.414 132 N HN 0.890 nan 8.380 nan 0.000 0.529 133 A N 2.036 124.855 122.820 -0.002 0.000 2.067 133 A HA 0.024 4.344 4.320 0.000 0.000 0.219 133 A C 1.089 178.667 177.584 -0.010 0.000 1.158 133 A CA 0.606 52.640 52.037 -0.004 0.000 0.661 133 A CB -0.237 18.767 19.000 0.006 0.000 0.801 133 A HN 0.547 nan 8.150 nan 0.000 0.452 134 S N -0.734 114.960 115.700 -0.011 0.000 2.531 134 S HA 0.132 4.602 4.470 0.000 0.000 0.279 134 S C 0.935 175.508 174.600 -0.046 0.000 1.305 134 S CA -0.158 58.031 58.200 -0.017 0.000 1.058 134 S CB 0.937 64.135 63.200 -0.005 0.000 0.899 134 S HN 0.574 nan 8.310 nan 0.000 0.493 135 Q N 2.485 122.261 119.800 -0.040 0.000 2.230 135 Q HA -0.050 4.290 4.340 0.000 0.000 0.202 135 Q C 1.542 177.492 176.000 -0.083 0.000 0.963 135 Q CA 1.673 57.442 55.803 -0.056 0.000 0.866 135 Q CB 0.042 28.757 28.738 -0.039 0.000 0.931 135 Q HN 0.955 nan 8.270 nan 0.000 0.452 136 T N -4.082 110.428 114.554 -0.073 0.000 2.958 136 T HA 0.233 4.583 4.350 0.000 0.000 0.256 136 T C 0.399 175.032 174.700 -0.112 0.000 0.983 136 T CA -0.449 61.596 62.100 -0.092 0.000 0.924 136 T CB 0.398 69.241 68.868 -0.041 0.000 1.136 136 T HN 0.033 nan 8.240 nan 0.000 0.506 137 Q N 0.345 120.105 119.800 -0.067 0.000 2.222 137 Q HA 0.442 4.782 4.340 0.000 0.000 0.252 137 Q C -1.095 174.874 176.000 -0.052 0.000 0.926 137 Q CA -1.022 54.781 55.803 0.000 0.000 0.899 137 Q CB 1.334 30.126 28.738 0.091 0.000 1.250 137 Q HN 0.426 nan 8.270 nan 0.000 0.441 138 W N 1.528 122.818 121.300 -0.017 0.000 2.093 138 W HA 0.209 4.869 4.660 0.000 0.000 0.352 138 W C 0.384 176.855 176.519 -0.079 0.000 1.294 138 W CA 0.103 57.389 57.345 -0.099 0.000 1.290 138 W CB 0.440 29.786 29.460 -0.189 0.000 1.149 138 W HN 0.317 nan 8.180 nan 0.000 0.606 139 K N 2.115 122.584 120.400 0.115 0.000 2.545 139 K HA 0.358 4.678 4.320 0.000 0.000 0.252 139 K C -1.708 174.867 176.600 -0.041 0.000 0.948 139 K CA -0.660 55.676 56.287 0.082 0.000 0.827 139 K CB 0.500 33.037 32.500 0.062 0.000 1.128 139 K HN 0.271 nan 8.250 nan 0.000 0.429 140 F N 5.177 125.151 119.950 0.040 0.000 2.411 140 F HA 0.423 4.950 4.527 0.000 0.000 0.350 140 F C 0.262 176.015 175.800 -0.078 0.000 1.114 140 F CA -0.500 57.413 58.000 -0.145 0.000 1.135 140 F CB 0.879 39.586 39.000 -0.487 0.000 1.120 140 F HN 0.242 nan 8.300 nan 0.000 0.495 141 I N 3.289 123.900 120.570 0.068 0.000 2.465 141 I HA 0.264 4.434 4.170 0.000 0.000 0.291 141 I C -0.933 175.237 176.117 0.088 0.000 1.014 141 I CA -0.951 60.403 61.300 0.091 0.000 1.093 141 I CB 1.638 39.658 38.000 0.033 0.000 1.267 141 I HN 0.386 nan 8.210 nan 0.000 0.431 142 D N 6.141 126.657 120.400 0.194 0.000 2.295 142 D HA 0.270 4.910 4.640 0.000 0.000 0.248 142 D C -0.417 175.979 176.300 0.160 0.000 1.154 142 D CA -0.063 54.044 54.000 0.178 0.000 0.857 142 D CB 2.181 43.119 40.800 0.230 0.000 1.117 142 D HN 0.045 nan 8.370 nan 0.000 0.468 143 V N 3.215 123.194 119.914 0.109 0.000 2.370 143 V HA 0.369 4.489 4.120 0.000 0.000 0.283 143 V C 0.395 176.678 176.094 0.314 0.000 1.023 143 V CA -0.701 61.695 62.300 0.159 0.000 0.857 143 V CB 1.457 33.258 31.823 -0.036 0.000 0.985 143 V HN 0.396 nan 8.190 nan 0.000 0.443 144 V N 3.080 123.228 119.914 0.389 0.000 2.962 144 V HA 0.876 4.996 4.120 0.000 0.000 0.313 144 V C -0.767 175.488 176.094 0.269 0.000 1.099 144 V CA -0.932 61.569 62.300 0.334 0.000 0.971 144 V CB 2.096 33.983 31.823 0.107 0.000 1.028 144 V HN 0.939 nan 8.190 nan 0.000 0.430 145 K N 0.460 120.943 120.400 0.138 0.000 2.482 145 K HA 0.720 5.040 4.320 0.000 0.000 0.257 145 K C -0.080 176.591 176.600 0.118 0.000 0.969 145 K CA -0.032 56.211 56.287 -0.073 0.000 0.842 145 K CB 2.166 34.323 32.500 -0.572 0.000 1.359 145 K HN 0.798 nan 8.250 nan 0.000 0.441 146 T N -2.874 111.722 114.554 0.071 0.000 3.040 146 T HA 0.125 4.475 4.350 0.000 0.000 0.266 146 T C 0.220 175.022 174.700 0.170 0.000 1.005 146 T CA 0.268 62.461 62.100 0.154 0.000 0.906 146 T CB -0.208 68.717 68.868 0.094 0.000 1.082 146 T HN 0.785 nan 8.240 nan 0.000 0.531 147 T N -2.027 112.543 114.554 0.027 0.000 2.868 147 T HA 0.420 4.770 4.350 0.000 0.000 0.306 147 T C 0.678 175.062 174.700 -0.527 0.000 1.224 147 T CA -0.739 61.342 62.100 -0.031 0.000 1.012 147 T CB 2.283 71.114 68.868 -0.060 0.000 1.221 147 T HN -0.034 nan 8.240 nan 0.000 0.499 148 Q N 0.556 120.026 119.800 -0.550 0.000 2.135 148 Q HA -0.123 4.217 4.340 0.000 0.000 0.204 148 Q C 0.891 176.494 176.000 -0.662 0.000 0.981 148 Q CA 1.728 56.978 55.803 -0.921 0.000 0.856 148 Q CB -0.068 28.492 28.738 -0.297 0.000 0.902 148 Q HN 0.638 nan 8.270 nan 0.000 0.425 149 N N -0.006 118.463 118.700 -0.384 0.000 2.238 149 N HA 0.133 4.873 4.740 0.000 0.000 0.222 149 N C -0.171 175.178 175.510 -0.268 0.000 1.133 149 N CA 0.496 53.375 53.050 -0.285 0.000 0.854 149 N CB 0.903 39.292 38.487 -0.163 0.000 1.041 149 N HN 0.186 nan 8.380 nan 0.000 0.510 150 G N -0.084 108.514 108.800 -0.336 0.000 2.599 150 G HA2 0.269 4.229 3.960 0.000 0.000 0.264 150 G HA3 0.269 4.229 3.960 0.000 0.000 0.264 150 G C 0.017 174.734 174.900 -0.305 0.000 1.200 150 G CA -0.167 44.779 45.100 -0.257 0.000 0.896 150 G HN 0.040 nan 8.290 nan 0.000 0.536 151 S N -0.919 114.671 115.700 -0.182 0.000 2.601 151 S HA 0.308 4.778 4.470 0.000 0.000 0.271 151 S C -0.711 173.803 174.600 -0.144 0.000 1.305 151 S CA -0.181 57.946 58.200 -0.123 0.000 1.022 151 S CB 0.650 63.837 63.200 -0.021 0.000 0.940 151 S HN 0.369 nan 8.310 nan 0.000 0.525 152 Y N 1.323 121.631 120.300 0.014 0.000 2.335 152 Y HA 0.286 4.836 4.550 0.000 0.000 0.331 152 Y C 0.976 176.909 175.900 0.054 0.000 1.094 152 Y CA 0.170 58.300 58.100 0.049 0.000 1.253 152 Y CB 0.817 39.310 38.460 0.054 0.000 1.203 152 Y HN 0.471 nan 8.280 nan 0.000 0.508 153 S N 2.595 118.446 115.700 0.252 0.000 2.566 153 S HA 0.447 4.917 4.470 0.000 0.000 0.298 153 S C -0.999 173.661 174.600 0.102 0.000 1.083 153 S CA -1.045 57.231 58.200 0.128 0.000 0.978 153 S CB 1.510 64.793 63.200 0.140 0.000 1.073 153 S HN 0.536 nan 8.310 nan 0.000 0.491 154 Q N 1.017 120.738 119.800 -0.132 0.000 2.282 154 Q HA 0.593 4.933 4.340 0.000 0.000 0.260 154 Q C -1.576 174.231 176.000 -0.322 0.000 0.964 154 Q CA -0.434 55.318 55.803 -0.085 0.000 0.880 154 Q CB 1.515 30.227 28.738 -0.043 0.000 1.286 154 Q HN 0.624 nan 8.270 nan 0.000 0.445 155 Y N -0.319 120.086 120.300 0.175 0.000 2.638 155 Y HA 0.712 5.262 4.550 0.000 0.000 0.339 155 Y C 0.784 176.824 175.900 0.232 0.000 1.084 155 Y CA 0.028 58.258 58.100 0.216 0.000 1.068 155 Y CB 2.256 40.927 38.460 0.353 0.000 1.294 155 Y HN 0.819 nan 8.280 nan 0.000 0.480 156 G N 0.671 109.693 108.800 0.370 0.000 2.501 156 G HA2 -0.055 3.905 3.960 0.000 0.000 0.213 156 G HA3 -0.055 3.905 3.960 0.000 0.000 0.213 156 G C -2.823 172.199 174.900 0.204 0.000 1.158 156 G CA -0.522 44.755 45.100 0.295 0.000 1.079 156 G HN 0.618 nan 8.290 nan 0.000 0.586 157 P HA 0.731 nan 4.420 nan 0.000 0.304 157 P C -1.340 176.123 177.300 0.271 0.000 1.310 157 P CA -0.665 62.573 63.100 0.229 0.000 0.796 157 P CB 1.826 33.629 31.700 0.172 0.000 1.297 158 L N 0.193 121.625 121.223 0.347 0.000 2.319 158 L HA 0.351 4.691 4.340 0.000 0.000 0.281 158 L C -0.251 176.838 176.870 0.365 0.000 1.005 158 L CA -0.245 54.824 54.840 0.381 0.000 0.828 158 L CB 1.053 43.425 42.059 0.521 0.000 1.227 158 L HN 0.227 nan 8.230 nan 0.000 0.415 159 Q N 3.215 123.176 119.800 0.268 0.000 2.279 159 Q HA 0.488 4.828 4.340 0.000 0.000 0.256 159 Q C -0.714 175.447 176.000 0.268 0.000 0.937 159 Q CA -0.202 55.741 55.803 0.233 0.000 0.933 159 Q CB 1.517 30.349 28.738 0.156 0.000 1.189 159 Q HN 0.706 nan 8.270 nan 0.000 0.417 160 S N 1.494 117.389 115.700 0.325 0.000 2.547 160 S HA 0.367 4.837 4.470 0.000 0.000 0.281 160 S C 0.168 174.985 174.600 0.361 0.000 1.118 160 S CA -0.497 57.909 58.200 0.344 0.000 0.947 160 S CB 1.831 65.330 63.200 0.498 0.000 1.053 160 S HN 0.561 nan 8.310 nan 0.000 0.482 161 T N 4.245 118.959 114.554 0.266 0.000 2.953 161 T HA 0.174 4.524 4.350 0.000 0.000 0.247 161 T C -1.316 173.531 174.700 0.246 0.000 1.029 161 T CA 0.795 63.055 62.100 0.267 0.000 1.144 161 T CB -0.790 68.176 68.868 0.164 0.000 0.870 161 T HN 0.522 nan 8.240 nan 0.000 0.446 162 P HA 0.081 nan 4.420 nan 0.000 0.230 162 P C 0.430 177.767 177.300 0.061 0.000 1.158 162 P CA 0.827 63.989 63.100 0.104 0.000 0.769 162 P CB -0.002 31.739 31.700 0.069 0.000 0.807 163 K N -1.819 118.624 120.400 0.071 0.000 3.339 163 K HA -0.142 4.178 4.320 0.000 0.000 0.299 163 K C -0.785 175.927 176.600 0.187 0.000 1.270 163 K CA 0.106 56.358 56.287 -0.059 0.000 0.875 163 K CB -1.680 30.576 32.500 -0.405 0.000 1.298 163 K HN 0.192 nan 8.250 nan 0.000 0.485 164 L N 0.872 122.184 121.223 0.149 0.000 2.334 164 L HA 0.600 4.940 4.340 0.000 0.000 0.273 164 L C -0.197 176.548 176.870 -0.208 0.000 1.013 164 L CA -1.068 53.782 54.840 0.016 0.000 0.816 164 L CB 1.218 43.252 42.059 -0.041 0.000 1.278 164 L HN 0.007 nan 8.230 nan 0.000 0.431 165 Y N 1.317 121.341 120.300 -0.460 0.000 2.638 165 Y HA 0.816 5.366 4.550 0.000 0.000 0.339 165 Y C -0.878 174.901 175.900 -0.202 0.000 1.084 165 Y CA -0.865 56.877 58.100 -0.597 0.000 1.068 165 Y CB 2.236 40.092 38.460 -1.005 0.000 1.294 165 Y HN 0.619 nan 8.280 nan 0.000 0.480 166 A N 1.941 124.495 122.820 -0.443 0.000 2.594 166 A HA 0.746 5.066 4.320 0.000 0.000 0.295 166 A C -2.225 175.477 177.584 0.197 0.000 1.071 166 A CA -0.557 51.490 52.037 0.017 0.000 0.685 166 A CB 1.585 20.605 19.000 0.034 0.000 1.285 166 A HN 0.897 nan 8.150 nan 0.000 0.405 167 V N 2.420 122.610 119.914 0.460 0.000 2.925 167 V HA 0.902 5.022 4.120 0.000 0.000 0.311 167 V C -0.889 175.360 176.094 0.257 0.000 1.104 167 V CA -0.557 61.979 62.300 0.394 0.000 0.954 167 V CB 1.972 33.950 31.823 0.258 0.000 1.022 167 V HN 1.237 nan 8.190 nan 0.000 0.427 168 M N 4.882 124.456 119.600 -0.042 0.000 2.421 168 M HA 0.594 5.074 4.480 0.000 0.000 0.287 168 M C -1.792 174.463 176.300 -0.075 0.000 1.183 168 M CA -0.674 54.445 55.300 -0.303 0.000 0.916 168 M CB 2.272 34.136 32.600 -1.227 0.000 1.701 168 M HN 0.584 nan 8.290 nan 0.000 0.470 169 K N 3.052 123.456 120.400 0.007 0.000 2.262 169 K HA 0.406 4.726 4.320 0.000 0.000 0.282 169 K C -1.327 175.465 176.600 0.320 0.000 1.066 169 K CA -0.282 56.129 56.287 0.206 0.000 0.901 169 K CB 0.635 33.199 32.500 0.107 0.000 1.089 169 K HN 0.578 nan 8.250 nan 0.000 0.476 170 H N 2.095 121.283 119.070 0.197 0.000 3.026 170 H HA 0.205 4.761 4.556 0.000 0.000 0.352 170 H C -0.969 174.192 175.328 -0.279 0.000 1.090 170 H CA -0.666 55.371 56.048 -0.017 0.000 1.268 170 H CB 0.696 30.277 29.762 -0.302 0.000 1.816 170 H HN 0.542 nan 8.280 nan 0.000 0.518 171 N N 3.539 121.636 118.700 -1.004 0.000 2.705 171 N HA -0.162 4.578 4.740 0.000 0.000 0.255 171 N C 0.957 175.930 175.510 -0.894 0.000 1.008 171 N CA 1.994 54.465 53.050 -0.964 0.000 0.742 171 N CB -1.240 36.712 38.487 -0.892 0.000 0.906 171 N HN 1.248 nan 8.380 nan 0.000 0.541 172 G N -1.734 106.142 108.800 -1.539 0.000 2.148 172 G HA2 -0.355 3.605 3.960 0.000 0.000 0.254 172 G HA3 -0.355 3.605 3.960 0.000 0.000 0.254 172 G C 0.005 174.665 174.900 -0.401 0.000 0.981 172 G CA 0.963 45.569 45.100 -0.823 0.000 0.670 172 G HN 0.654 nan 8.290 nan 0.000 0.528 173 K N -1.136 119.051 120.400 -0.355 0.000 2.495 173 K HA 0.748 5.068 4.320 0.000 0.000 0.268 173 K C -0.659 176.010 176.600 0.115 0.000 1.008 173 K CA -1.073 55.163 56.287 -0.086 0.000 0.882 173 K CB 1.913 34.260 32.500 -0.256 0.000 1.443 173 K HN 0.072 nan 8.250 nan 0.000 0.447 174 I N 2.162 122.823 120.570 0.153 0.000 2.362 174 I HA 0.304 4.474 4.170 0.000 0.000 0.289 174 I C -1.072 175.188 176.117 0.238 0.000 0.994 174 I CA -0.739 60.700 61.300 0.233 0.000 1.158 174 I CB 0.677 38.810 38.000 0.222 0.000 1.315 174 I HN 0.395 nan 8.210 nan 0.000 0.451 175 Y N 4.040 124.414 120.300 0.123 0.000 2.361 175 Y HA 0.543 5.093 4.550 0.000 0.000 0.332 175 Y C 0.748 176.791 175.900 0.239 0.000 1.101 175 Y CA -0.508 57.677 58.100 0.142 0.000 1.137 175 Y CB 1.984 40.423 38.460 -0.034 0.000 1.207 175 Y HN 0.536 nan 8.280 nan 0.000 0.463 176 T N -1.426 113.375 114.554 0.411 0.000 2.883 176 T HA 0.530 4.880 4.350 0.000 0.000 0.296 176 T C -1.151 173.612 174.700 0.106 0.000 1.117 176 T CA -0.964 61.314 62.100 0.296 0.000 1.006 176 T CB 0.952 70.016 68.868 0.327 0.000 1.191 176 T HN 0.336 nan 8.240 nan 0.000 0.508 177 Y N 1.687 121.869 120.300 -0.196 0.000 2.314 177 Y HA 0.501 5.051 4.550 0.000 0.000 0.334 177 Y C 1.147 177.099 175.900 0.087 0.000 1.266 177 Y CA 0.505 58.528 58.100 -0.128 0.000 1.391 177 Y CB 0.971 39.242 38.460 -0.314 0.000 1.306 177 Y HN 1.096 nan 8.280 nan 0.000 0.558 178 N N -0.904 117.935 118.700 0.232 0.000 2.823 178 N HA 0.656 5.396 4.740 0.000 0.000 0.251 178 N C -0.358 175.266 175.510 0.190 0.000 1.392 178 N CA -0.287 52.898 53.050 0.226 0.000 0.864 178 N CB 1.819 40.406 38.487 0.166 0.000 1.481 178 N HN 0.895 nan 8.380 nan 0.000 0.508 179 G N 0.363 109.269 108.800 0.176 0.000 2.513 179 G HA2 -0.090 3.870 3.960 0.000 0.000 0.227 179 G HA3 -0.090 3.870 3.960 0.000 0.000 0.227 179 G C -1.483 173.508 174.900 0.152 0.000 1.176 179 G CA -0.273 44.910 45.100 0.140 0.000 0.967 179 G HN 0.848 nan 8.290 nan 0.000 0.587 180 E N 0.794 121.071 120.200 0.128 0.000 2.260 180 E HA 0.503 4.853 4.350 0.000 0.000 0.266 180 E C 0.089 176.756 176.600 0.112 0.000 0.887 180 E CA -0.147 56.328 56.400 0.124 0.000 0.777 180 E CB 1.775 31.533 29.700 0.096 0.000 1.205 180 E HN 0.853 nan 8.360 nan 0.000 0.414 181 T N -0.151 114.478 114.554 0.124 0.000 2.932 181 T HA 0.153 4.503 4.350 0.000 0.000 0.312 181 T C -1.615 173.132 174.700 0.078 0.000 1.071 181 T CA -1.092 61.065 62.100 0.096 0.000 1.128 181 T CB 0.756 69.688 68.868 0.106 0.000 0.984 181 T HN 0.266 nan 8.240 nan 0.000 0.549 182 P HA 0.259 nan 4.420 nan 0.000 0.243 182 P C -0.530 176.792 177.300 0.037 0.000 1.672 182 P CA -0.422 62.703 63.100 0.042 0.000 1.000 182 P CB -0.043 31.677 31.700 0.032 0.000 1.562 183 N N 0.771 119.501 118.700 0.050 0.000 2.642 183 N HA 0.115 4.855 4.740 0.000 0.000 0.308 183 N C 0.311 175.861 175.510 0.067 0.000 1.914 183 N CA -0.184 52.895 53.050 0.048 0.000 0.893 183 N CB 2.043 40.555 38.487 0.042 0.000 1.322 183 N HN 0.058 nan 8.380 nan 0.000 0.490 184 V N -0.800 119.164 119.914 0.084 0.000 3.185 184 V HA 0.627 4.747 4.120 0.000 0.000 0.305 184 V C 0.896 177.061 176.094 0.117 0.000 1.090 184 V CA -0.111 62.266 62.300 0.130 0.000 1.107 184 V CB 1.024 32.966 31.823 0.198 0.000 1.061 184 V HN 0.369 nan 8.190 nan 0.000 0.480 185 T N -0.184 114.434 114.554 0.107 0.000 2.693 185 T HA 0.817 5.167 4.350 0.000 0.000 0.278 185 T C -0.108 174.560 174.700 -0.054 0.000 0.994 185 T CA -0.090 62.031 62.100 0.034 0.000 1.033 185 T CB 1.504 70.394 68.868 0.036 0.000 1.342 185 T HN 1.441 nan 8.240 nan 0.000 0.538 186 T N -1.388 113.121 114.554 -0.075 0.000 2.901 186 T HA 0.826 5.176 4.350 0.000 0.000 0.293 186 T C -1.072 173.652 174.700 0.038 0.000 1.084 186 T CA -1.036 61.013 62.100 -0.084 0.000 1.008 186 T CB 1.962 70.800 68.868 -0.050 0.000 1.170 186 T HN 1.139 nan 8.240 nan 0.000 0.509 187 K N -0.004 120.413 120.400 0.028 0.000 2.466 187 K HA 0.783 5.103 4.320 0.000 0.000 0.260 187 K C -1.650 174.765 176.600 -0.309 0.000 1.011 187 K CA -1.183 54.989 56.287 -0.191 0.000 0.871 187 K CB 1.673 34.029 32.500 -0.241 0.000 1.404 187 K HN 0.829 nan 8.250 nan 0.000 0.450 188 Y N -2.241 117.665 120.300 -0.657 0.000 2.615 188 Y HA 0.637 5.187 4.550 0.000 0.000 0.341 188 Y C -1.816 173.534 175.900 -0.918 0.000 1.089 188 Y CA -1.496 56.089 58.100 -0.858 0.000 1.049 188 Y CB 1.270 38.951 38.460 -1.297 0.000 1.296 188 Y HN 0.543 nan 8.280 nan 0.000 0.470 189 Y N 0.234 120.518 120.300 -0.027 0.000 2.331 189 Y HA 0.527 5.077 4.550 0.000 0.000 0.326 189 Y C -0.139 175.758 175.900 -0.004 0.000 1.020 189 Y CA -1.123 56.955 58.100 -0.037 0.000 1.136 189 Y CB 2.273 40.705 38.460 -0.046 0.000 1.157 189 Y HN 0.696 nan 8.280 nan 0.000 0.444 190 S N 2.031 117.802 115.700 0.118 0.000 2.549 190 S HA 0.371 4.841 4.470 0.000 0.000 0.286 190 S C -0.108 174.524 174.600 0.053 0.000 1.314 190 S CA 0.070 58.294 58.200 0.039 0.000 1.062 190 S CB 0.306 63.516 63.200 0.016 0.000 0.865 190 S HN 0.593 nan 8.310 nan 0.000 0.498 191 T N 2.997 117.570 114.554 0.032 0.000 3.143 191 T HA 0.263 4.613 4.350 0.000 0.000 0.312 191 T C -0.230 174.499 174.700 0.048 0.000 0.986 191 T CA -0.649 61.478 62.100 0.045 0.000 1.024 191 T CB 1.389 70.304 68.868 0.079 0.000 1.030 191 T HN 0.496 nan 8.240 nan 0.000 0.448 192 T N 4.025 118.588 114.554 0.016 0.000 2.918 192 T HA 0.166 4.516 4.350 0.000 0.000 0.302 192 T C 0.824 175.537 174.700 0.021 0.000 1.045 192 T CA -0.306 61.805 62.100 0.019 0.000 1.114 192 T CB 0.088 68.952 68.868 -0.005 0.000 0.965 192 T HN 0.715 nan 8.240 nan 0.000 0.540 193 N N 0.634 119.360 118.700 0.043 0.000 2.727 193 N HA -0.221 4.519 4.740 0.000 0.000 0.249 193 N C 0.676 176.168 175.510 -0.030 0.000 1.048 193 N CA 1.061 54.109 53.050 -0.003 0.000 0.714 193 N CB -1.736 36.719 38.487 -0.054 0.000 0.959 193 N HN 0.952 nan 8.380 nan 0.000 0.544 194 Y N 0.579 120.840 120.300 -0.065 0.000 2.256 194 Y HA -0.215 4.335 4.550 0.000 0.000 0.288 194 Y C 1.826 177.690 175.900 -0.060 0.000 1.155 194 Y CA 1.739 59.803 58.100 -0.060 0.000 1.203 194 Y CB -0.227 38.206 38.460 -0.046 0.000 0.980 194 Y HN 0.202 nan 8.280 nan 0.000 0.530 195 D N 0.664 120.412 120.400 -1.086 0.000 2.264 195 D HA -0.149 4.491 4.640 0.000 0.000 0.208 195 D C 1.472 177.525 176.300 -0.412 0.000 0.966 195 D CA 1.260 54.715 54.000 -0.909 0.000 0.864 195 D CB -0.629 39.691 40.800 -0.799 0.000 0.933 195 D HN 0.563 nan 8.370 nan 0.000 0.499 196 S N -0.300 115.227 115.700 -0.288 0.000 2.572 196 S HA 0.227 4.697 4.470 0.000 0.000 0.228 196 S C 0.613 175.108 174.600 -0.175 0.000 0.963 196 S CA -0.673 57.411 58.200 -0.193 0.000 0.939 196 S CB 0.025 63.140 63.200 -0.142 0.000 0.804 196 S HN 0.013 nan 8.310 nan 0.000 0.480 197 V N 3.566 123.370 119.914 -0.184 0.000 2.529 197 V HA 0.108 4.228 4.120 0.000 0.000 0.292 197 V C 0.407 176.393 176.094 -0.180 0.000 1.028 197 V CA -0.085 62.120 62.300 -0.159 0.000 1.074 197 V CB -0.029 31.721 31.823 -0.122 0.000 0.958 197 V HN 0.537 nan 8.190 nan 0.000 0.481 198 N N 5.191 123.798 118.700 -0.155 0.000 2.518 198 N HA 0.426 5.166 4.740 0.000 0.000 0.283 198 N C -0.664 174.750 175.510 -0.160 0.000 1.119 198 N CA -0.718 52.222 53.050 -0.184 0.000 0.983 198 N CB 0.943 39.365 38.487 -0.109 0.000 1.139 198 N HN 0.448 nan 8.380 nan 0.000 0.465 199 M N 1.415 120.863 119.600 -0.253 0.000 2.364 199 M HA 0.248 4.728 4.480 0.000 0.000 0.334 199 M C -0.425 175.768 176.300 -0.177 0.000 1.107 199 M CA -0.420 54.763 55.300 -0.195 0.000 0.988 199 M CB 1.447 33.891 32.600 -0.259 0.000 1.673 199 M HN 0.309 nan 8.290 nan 0.000 0.441 200 T N 2.464 116.904 114.554 -0.190 0.000 2.770 200 T HA 0.613 4.963 4.350 0.000 0.000 0.297 200 T C 0.036 174.429 174.700 -0.511 0.000 0.997 200 T CA -0.500 61.392 62.100 -0.347 0.000 0.949 200 T CB 0.839 69.436 68.868 -0.452 0.000 0.941 200 T HN 0.694 nan 8.240 nan 0.000 0.457 201 A N 2.791 125.354 122.820 -0.428 0.000 2.328 201 A HA 0.659 4.979 4.320 0.000 0.000 0.284 201 A C 0.075 177.435 177.584 -0.373 0.000 1.160 201 A CA -0.508 51.340 52.037 -0.315 0.000 0.818 201 A CB 0.019 18.865 19.000 -0.257 0.000 1.087 201 A HN 0.891 nan 8.150 nan 0.000 0.504 202 F N 1.219 121.207 119.950 0.063 0.000 2.641 202 F HA 0.240 4.767 4.527 0.000 0.000 0.302 202 F C 0.859 176.709 175.800 0.084 0.000 1.098 202 F CA -0.065 57.972 58.000 0.062 0.000 1.318 202 F CB 0.276 39.296 39.000 0.032 0.000 1.035 202 F HN 0.751 nan 8.300 nan 0.000 0.551 203 C N -3.456 115.981 119.300 0.229 0.000 3.336 203 C HA 0.534 4.994 4.460 0.000 0.000 0.339 203 C C -0.681 174.443 174.990 0.224 0.000 1.468 203 C CA -1.396 57.739 59.018 0.196 0.000 1.287 203 C CB 0.881 28.733 27.740 0.185 0.000 1.682 203 C HN -0.028 nan 8.230 nan 0.000 0.451 204 D N 1.039 121.522 120.400 0.138 0.000 2.382 204 D HA 0.591 5.231 4.640 0.000 0.000 0.240 204 D C -0.322 176.074 176.300 0.159 0.000 1.146 204 D CA 0.620 54.647 54.000 0.045 0.000 0.897 204 D CB 0.395 41.137 40.800 -0.096 0.000 1.197 204 D HN 0.669 nan 8.370 nan 0.000 0.432 205 F N -0.922 118.956 119.950 -0.120 0.000 2.685 205 F HA 0.645 5.172 4.527 0.000 0.000 0.315 205 F C -1.587 174.110 175.800 -0.172 0.000 1.126 205 F CA -1.195 56.794 58.000 -0.018 0.000 0.950 205 F CB 0.971 40.045 39.000 0.123 0.000 1.360 205 F HN 0.144 nan 8.300 nan 0.000 0.469 206 Y N 1.081 121.590 120.300 0.348 0.000 2.633 206 Y HA 0.749 5.299 4.550 0.000 0.000 0.339 206 Y C -0.633 175.537 175.900 0.450 0.000 1.045 206 Y CA -1.415 56.848 58.100 0.273 0.000 1.098 206 Y CB 1.885 40.413 38.460 0.113 0.000 1.296 206 Y HN 0.406 nan 8.280 nan 0.000 0.494 207 I N 3.313 124.231 120.570 0.579 0.000 2.466 207 I HA 0.438 4.608 4.170 0.000 0.000 0.289 207 I C -0.870 175.550 176.117 0.505 0.000 1.026 207 I CA -0.769 60.855 61.300 0.539 0.000 1.078 207 I CB 1.407 39.675 38.000 0.445 0.000 1.249 207 I HN 0.509 nan 8.210 nan 0.000 0.429 208 I N 7.613 128.494 120.570 0.519 0.000 2.499 208 I HA 0.332 4.502 4.170 0.000 0.000 0.288 208 I C -2.376 173.908 176.117 0.279 0.000 1.048 208 I CA -1.909 59.627 61.300 0.393 0.000 1.062 208 I CB 2.904 41.108 38.000 0.340 0.000 1.238 208 I HN 0.238 nan 8.210 nan 0.000 0.426 209 P HA 0.081 nan 4.420 nan 0.000 0.272 209 P C 0.299 177.489 177.300 -0.183 0.000 1.223 209 P CA -0.276 62.512 63.100 -0.519 0.000 0.784 209 P CB 1.035 32.476 31.700 -0.431 0.000 0.923 210 R N 1.655 121.983 120.500 -0.288 0.000 2.127 210 R HA -0.198 4.142 4.340 0.000 0.000 0.238 210 R C 1.574 177.838 176.300 -0.061 0.000 1.134 210 R CA 1.729 57.758 56.100 -0.119 0.000 0.975 210 R CB -0.262 29.857 30.300 -0.303 0.000 0.865 210 R HN 0.406 nan 8.270 nan 0.000 0.447 211 E N 0.425 120.560 120.200 -0.108 0.000 2.160 211 E HA -0.174 4.176 4.350 0.000 0.000 0.195 211 E C 0.634 177.217 176.600 -0.027 0.000 0.991 211 E CA 1.350 57.711 56.400 -0.064 0.000 0.810 211 E CB 0.103 29.763 29.700 -0.068 0.000 0.742 211 E HN 0.454 nan 8.360 nan 0.000 0.466 212 E N 0.051 120.247 120.200 -0.006 0.000 2.423 212 E HA 0.014 4.364 4.350 0.000 0.000 0.198 212 E C 0.835 177.451 176.600 0.027 0.000 1.038 212 E CA -0.168 56.237 56.400 0.008 0.000 1.011 212 E CB 0.279 29.994 29.700 0.024 0.000 1.118 212 E HN 0.259 nan 8.360 nan 0.000 0.451 213 E N 0.878 121.115 120.200 0.063 0.000 2.160 213 E HA -0.231 4.119 4.350 0.000 0.000 0.195 213 E C 1.859 178.433 176.600 -0.043 0.000 0.991 213 E CA 1.616 58.058 56.400 0.070 0.000 0.810 213 E CB 0.126 29.931 29.700 0.175 0.000 0.742 213 E HN 0.260 nan 8.360 nan 0.000 0.466 214 S N -0.763 114.907 115.700 -0.050 0.000 2.399 214 S HA -0.150 4.320 4.470 0.000 0.000 0.231 214 S C 1.989 176.490 174.600 -0.166 0.000 1.022 214 S CA 1.543 59.690 58.200 -0.088 0.000 0.983 214 S CB -0.520 62.638 63.200 -0.071 0.000 0.803 214 S HN 0.220 nan 8.310 nan 0.000 0.480 215 T N 1.129 115.572 114.554 -0.185 0.000 2.812 215 T HA -0.076 4.274 4.350 0.000 0.000 0.264 215 T C 2.088 176.509 174.700 -0.465 0.000 1.042 215 T CA 1.148 63.039 62.100 -0.348 0.000 1.140 215 T CB -0.985 67.741 68.868 -0.236 0.000 0.870 215 T HN 0.643 nan 8.240 nan 0.000 0.445 216 C N 1.701 120.863 119.300 -0.229 0.000 2.413 216 C HA -0.132 4.328 4.460 0.000 0.000 0.276 216 C C 2.965 177.730 174.990 -0.374 0.000 1.236 216 C CA 1.553 60.440 59.018 -0.218 0.000 1.735 216 C CB -1.407 26.145 27.740 -0.313 0.000 2.031 216 C HN 0.559 nan 8.230 nan 0.000 0.474 217 T N 0.088 114.461 114.554 -0.301 0.000 2.788 217 T HA -0.189 4.161 4.350 0.000 0.000 0.268 217 T C 1.623 176.179 174.700 -0.239 0.000 1.044 217 T CA 2.002 63.958 62.100 -0.240 0.000 1.139 217 T CB -0.386 68.455 68.868 -0.045 0.000 0.867 217 T HN 0.708 nan 8.240 nan 0.000 0.454 218 E N 0.435 120.472 120.200 -0.271 0.000 2.077 218 E HA -0.104 4.246 4.350 0.000 0.000 0.193 218 E C 1.724 178.197 176.600 -0.213 0.000 0.989 218 E CA 1.410 57.657 56.400 -0.255 0.000 0.800 218 E CB -0.431 29.068 29.700 -0.334 0.000 0.746 218 E HN 0.739 nan 8.360 nan 0.000 0.452 219 Y N -0.277 119.912 120.300 -0.184 0.000 2.181 219 Y HA -0.167 4.383 4.550 0.000 0.000 0.288 219 Y C 2.123 177.895 175.900 -0.213 0.000 1.146 219 Y CA 0.336 58.323 58.100 -0.190 0.000 1.164 219 Y CB -0.059 38.270 38.460 -0.218 0.000 0.982 219 Y HN 0.120 nan 8.280 nan 0.000 0.515 220 I N 0.388 120.849 120.570 -0.183 0.000 2.226 220 I HA -0.293 3.877 4.170 0.000 0.000 0.245 220 I C 1.707 177.755 176.117 -0.115 0.000 1.100 220 I CA 1.359 62.496 61.300 -0.271 0.000 1.374 220 I CB -1.095 36.499 38.000 -0.677 0.000 1.057 220 I HN 0.365 nan 8.210 nan 0.000 0.413 221 N N 0.777 119.419 118.700 -0.097 0.000 2.270 221 N HA -0.146 4.594 4.740 0.000 0.000 0.181 221 N C 1.485 176.998 175.510 0.004 0.000 1.016 221 N CA 1.086 54.119 53.050 -0.027 0.000 0.870 221 N CB -0.155 38.313 38.487 -0.031 0.000 0.979 221 N HN 0.392 nan 8.380 nan 0.000 0.431 222 N N -0.637 118.064 118.700 0.003 0.000 2.118 222 N HA 0.185 4.925 4.740 0.000 0.000 0.226 222 N C -0.228 175.310 175.510 0.047 0.000 1.305 222 N CA 0.560 53.625 53.050 0.025 0.000 0.890 222 N CB 1.017 39.509 38.487 0.008 0.000 1.118 222 N HN 0.193 nan 8.380 nan 0.000 0.511 223 G N 0.374 109.210 108.800 0.059 0.000 2.707 223 G HA2 -0.166 3.794 3.960 0.000 0.000 0.686 223 G HA3 -0.166 3.794 3.960 0.000 0.000 0.686 223 G C -0.634 174.322 174.900 0.094 0.000 1.315 223 G CA -0.379 44.752 45.100 0.051 0.000 0.832 223 G HN 0.171 nan 8.290 nan 0.000 0.573 251 N N 1.594 120.287 118.700 -0.012 0.000 2.249 251 N HA 0.719 5.459 4.740 0.000 0.000 0.296 251 N C -0.516 174.986 175.510 -0.013 0.000 1.051 251 N CA -0.345 52.696 53.050 -0.014 0.000 0.815 251 N CB 2.743 41.222 38.487 -0.013 0.000 1.487 251 N HN 0.894 nan 8.380 nan 0.000 0.475 252 E N 0.715 120.906 120.200 -0.016 0.000 2.011 252 E HA 0.247 4.597 4.350 0.000 0.000 0.233 252 E C -1.991 174.599 176.600 -0.016 0.000 1.581 252 E CA -0.398 55.993 56.400 -0.014 0.000 0.998 252 E CB 1.080 30.773 29.700 -0.011 0.000 1.568 252 E HN 0.443 nan 8.360 nan 0.000 0.554 253 D N -0.316 120.076 120.400 -0.013 0.000 2.655 253 D HA 0.682 5.322 4.640 0.000 0.000 0.229 253 D C -0.886 175.410 176.300 -0.007 0.000 1.229 253 D CA -0.215 53.778 54.000 -0.012 0.000 0.807 253 D CB 1.840 42.633 40.800 -0.012 0.000 1.514 253 D HN 0.494 nan 8.370 nan 0.000 0.444 254 I N -0.719 119.848 120.570 -0.005 0.000 3.105 254 I HA 0.437 4.607 4.170 0.000 0.000 0.309 254 I C -1.368 174.752 176.117 0.006 0.000 1.438 254 I CA -1.066 60.234 61.300 0.001 0.000 0.938 254 I CB 2.056 40.058 38.000 0.002 0.000 1.328 254 I HN 0.077 nan 8.210 nan 0.000 0.522 255 V N 2.137 122.059 119.914 0.013 0.000 2.735 255 V HA 0.412 4.532 4.120 0.000 0.000 0.310 255 V C 0.168 176.280 176.094 0.030 0.000 1.061 255 V CA -0.368 61.946 62.300 0.022 0.000 0.913 255 V CB 2.170 34.008 31.823 0.026 0.000 1.005 255 V HN 0.568 nan 8.190 nan 0.000 0.428 256 V N 2.202 122.141 119.914 0.042 0.000 2.735 256 V HA 0.157 4.277 4.120 0.000 0.000 0.234 256 V C 0.974 177.101 176.094 0.056 0.000 1.121 256 V CA 1.307 63.638 62.300 0.050 0.000 1.160 256 V CB 1.293 33.154 31.823 0.063 0.000 0.908 256 V HN 0.915 nan 8.190 nan 0.000 0.495 257 S N 0.168 115.910 115.700 0.070 0.000 2.638 257 S HA 0.506 4.976 4.470 0.000 0.000 0.298 257 S C -0.234 174.418 174.600 0.086 0.000 1.111 257 S CA -0.777 57.469 58.200 0.076 0.000 1.027 257 S CB 1.976 65.230 63.200 0.090 0.000 1.064 257 S HN 0.364 nan 8.310 nan 0.000 0.525 258 K N 0.822 121.272 120.400 0.083 0.000 2.952 258 K HA 0.319 4.639 4.320 0.000 0.000 0.323 258 K C 0.107 176.805 176.600 0.164 0.000 1.003 258 K CA -0.696 55.648 56.287 0.097 0.000 1.156 258 K CB -0.591 31.940 32.500 0.052 0.000 1.339 258 K HN 0.656 nan 8.250 nan 0.000 0.516 259 T N 0.746 115.440 114.554 0.233 0.000 2.940 259 T HA 0.124 4.474 4.350 0.000 0.000 0.309 259 T C 0.144 175.056 174.700 0.354 0.000 1.056 259 T CA -0.046 62.294 62.100 0.401 0.000 1.137 259 T CB 0.781 70.145 68.868 0.826 0.000 0.976 259 T HN 0.416 nan 8.240 nan 0.000 0.547 260 S N 0.761 116.566 115.700 0.176 0.000 2.671 260 S HA 0.672 5.142 4.470 0.000 0.000 0.277 260 S C -1.524 172.944 174.600 -0.219 0.000 1.165 260 S CA -0.888 57.293 58.200 -0.032 0.000 0.822 260 S CB 0.804 63.975 63.200 -0.048 0.000 1.150 260 S HN 0.563 nan 8.310 nan 0.000 0.479 261 L N 1.888 122.828 121.223 -0.471 0.000 2.295 261 L HA 0.628 4.968 4.340 0.000 0.000 0.285 261 L C -1.253 175.207 176.870 -0.683 0.000 1.035 261 L CA -0.353 54.234 54.840 -0.422 0.000 0.806 261 L CB 1.136 43.018 42.059 -0.294 0.000 1.214 261 L HN 0.682 nan 8.230 nan 0.000 0.426 262 W N 2.679 123.964 121.300 -0.025 0.000 3.062 262 W HA 0.608 5.268 4.660 0.000 0.000 0.336 262 W C -0.688 175.835 176.519 0.006 0.000 1.224 262 W CA -0.748 56.602 57.345 0.009 0.000 1.159 262 W CB 1.867 31.333 29.460 0.010 0.000 1.454 262 W HN 0.120 nan 8.180 nan 0.000 0.569 263 K N 1.816 122.413 120.400 0.328 0.000 2.587 263 K HA 0.118 4.438 4.320 0.000 0.000 0.256 263 K C -1.302 175.404 176.600 0.177 0.000 0.974 263 K CA -0.674 55.721 56.287 0.180 0.000 0.855 263 K CB 2.535 35.102 32.500 0.112 0.000 1.292 263 K HN 0.591 nan 8.250 nan 0.000 0.444 264 E N 2.833 123.100 120.200 0.111 0.000 2.366 264 E HA 0.351 4.701 4.350 0.000 0.000 0.266 264 E C -0.762 175.856 176.600 0.031 0.000 1.051 264 E CA 0.013 56.463 56.400 0.084 0.000 0.884 264 E CB 1.077 30.803 29.700 0.044 0.000 1.006 264 E HN 0.420 nan 8.360 nan 0.000 0.417 265 M N 2.756 122.357 119.600 0.001 0.000 2.426 265 M HA 0.136 4.616 4.480 0.000 0.000 0.289 265 M C -1.841 174.299 176.300 -0.267 0.000 1.168 265 M CA -0.450 54.753 55.300 -0.162 0.000 0.933 265 M CB 2.064 34.524 32.600 -0.233 0.000 1.750 265 M HN 0.464 nan 8.290 nan 0.000 0.494 266 Q N 2.445 122.058 119.800 -0.311 0.000 2.241 266 Q HA 0.507 4.847 4.340 0.000 0.000 0.254 266 Q C -2.196 173.558 176.000 -0.409 0.000 0.917 266 Q CA -0.385 55.279 55.803 -0.231 0.000 0.919 266 Q CB 1.315 29.988 28.738 -0.109 0.000 1.237 266 Q HN 0.704 nan 8.270 nan 0.000 0.434 267 Y N 2.099 122.379 120.300 -0.033 0.000 2.391 267 Y HA 0.434 4.984 4.550 0.000 0.000 0.341 267 Y C -0.426 175.383 175.900 -0.153 0.000 0.965 267 Y CA -1.009 57.041 58.100 -0.083 0.000 1.067 267 Y CB 1.839 40.247 38.460 -0.086 0.000 1.199 267 Y HN 0.574 nan 8.280 nan 0.000 0.450 268 N N 3.831 122.514 118.700 -0.029 0.000 2.321 268 N HA 0.611 5.351 4.740 0.000 0.000 0.299 268 N C -1.014 174.363 175.510 -0.221 0.000 1.048 268 N CA -0.850 52.116 53.050 -0.141 0.000 0.836 268 N CB 2.456 40.897 38.487 -0.076 0.000 1.269 268 N HN 0.652 nan 8.380 nan 0.000 0.486 269 R N 0.338 120.590 120.500 -0.412 0.000 2.668 269 R HA 0.281 4.621 4.340 0.000 0.000 0.272 269 R C -1.334 174.816 176.300 -0.250 0.000 1.019 269 R CA -0.738 55.142 56.100 -0.366 0.000 0.894 269 R CB 1.975 31.958 30.300 -0.528 0.000 1.228 269 R HN 0.457 nan 8.270 nan 0.000 0.460 270 D N 1.801 122.169 120.400 -0.054 0.000 2.344 270 D HA 0.330 4.970 4.640 0.000 0.000 0.244 270 D C -0.346 176.058 176.300 0.174 0.000 1.134 270 D CA 0.218 54.259 54.000 0.067 0.000 0.930 270 D CB 1.336 42.201 40.800 0.108 0.000 1.175 270 D HN 0.305 nan 8.370 nan 0.000 0.437 271 I N -0.526 120.168 120.570 0.206 0.000 2.752 271 I HA 0.184 4.354 4.170 0.000 0.000 0.295 271 I C -1.213 174.940 176.117 0.060 0.000 1.219 271 I CA -0.341 61.107 61.300 0.247 0.000 1.030 271 I CB 2.166 40.390 38.000 0.373 0.000 1.259 271 I HN 0.089 nan 8.210 nan 0.000 0.423 272 T N 7.662 122.221 114.554 0.009 0.000 2.912 272 T HA 0.537 4.887 4.350 0.000 0.000 0.326 272 T C -0.281 174.425 174.700 0.010 0.000 1.080 272 T CA -0.179 61.796 62.100 -0.208 0.000 1.000 272 T CB 0.295 68.742 68.868 -0.702 0.000 1.008 272 T HN 0.264 nan 8.240 nan 0.000 0.473 273 I N 3.451 123.992 120.570 -0.049 0.000 2.440 273 I HA 0.558 4.728 4.170 0.000 0.000 0.294 273 I C 0.379 176.362 176.117 -0.223 0.000 0.995 273 I CA -0.705 60.595 61.300 -0.001 0.000 1.306 273 I CB 1.070 39.079 38.000 0.015 0.000 1.407 273 I HN 0.341 nan 8.210 nan 0.000 0.501 274 R N 5.922 126.193 120.500 -0.381 0.000 2.548 274 R HA 0.658 4.998 4.340 0.000 0.000 0.280 274 R C -1.427 174.773 176.300 -0.168 0.000 1.061 274 R CA -0.639 55.083 56.100 -0.630 0.000 0.915 274 R CB 1.984 31.404 30.300 -1.466 0.000 1.210 274 R HN 0.562 nan 8.270 nan 0.000 0.442 275 F N -0.546 119.247 119.950 -0.262 0.000 2.711 275 F HA 0.705 5.232 4.527 0.000 0.000 0.313 275 F C -1.532 174.130 175.800 -0.229 0.000 1.141 275 F CA -1.173 56.722 58.000 -0.174 0.000 0.941 275 F CB 1.670 40.568 39.000 -0.170 0.000 1.349 275 F HN 0.431 nan 8.300 nan 0.000 0.464 276 K N 0.397 120.767 120.400 -0.049 0.000 2.555 276 K HA 0.631 4.951 4.320 0.000 0.000 0.279 276 K C -2.149 174.442 176.600 -0.015 0.000 0.986 276 K CA -0.726 55.497 56.287 -0.107 0.000 0.880 276 K CB 2.298 34.707 32.500 -0.152 0.000 1.474 276 K HN 0.623 nan 8.250 nan 0.000 0.433 277 F N 0.417 120.520 119.950 0.255 0.000 2.375 277 F HA 0.710 5.237 4.527 0.000 0.000 0.317 277 F C 0.438 176.359 175.800 0.201 0.000 1.124 277 F CA -0.298 57.865 58.000 0.272 0.000 1.050 277 F CB 1.766 40.972 39.000 0.343 0.000 1.314 277 F HN 0.792 nan 8.300 nan 0.000 0.511 278 A N 0.064 123.150 122.820 0.443 0.000 2.515 278 A HA 0.840 5.160 4.320 0.000 0.000 0.296 278 A C -1.294 176.422 177.584 0.219 0.000 1.094 278 A CA -0.576 51.620 52.037 0.265 0.000 0.718 278 A CB 1.437 20.561 19.000 0.208 0.000 1.307 278 A HN 0.604 nan 8.150 nan 0.000 0.408 279 S N -0.292 115.462 115.700 0.090 0.000 2.595 279 S HA 0.787 5.257 4.470 0.000 0.000 0.281 279 S C -0.621 173.977 174.600 -0.004 0.000 1.117 279 S CA -0.592 57.594 58.200 -0.023 0.000 0.873 279 S CB 1.775 64.880 63.200 -0.158 0.000 1.108 279 S HN 1.177 nan 8.310 nan 0.000 0.477 280 S N 1.233 116.918 115.700 -0.025 0.000 2.605 280 S HA 0.684 5.154 4.470 0.000 0.000 0.308 280 S C -1.252 173.342 174.600 -0.010 0.000 1.113 280 S CA -0.659 57.547 58.200 0.011 0.000 1.049 280 S CB -0.021 63.205 63.200 0.043 0.000 1.001 280 S HN 0.593 nan 8.310 nan 0.000 0.480 281 I N 5.115 125.693 120.570 0.013 0.000 2.411 281 I HA 0.422 4.592 4.170 0.000 0.000 0.284 281 I C -0.956 175.241 176.117 0.133 0.000 1.012 281 I CA -0.855 60.478 61.300 0.055 0.000 1.119 281 I CB 1.930 39.919 38.000 -0.018 0.000 1.261 281 I HN 0.308 nan 8.210 nan 0.000 0.448 282 V N 6.399 126.406 119.914 0.155 0.000 2.417 282 V HA 0.352 4.472 4.120 0.000 0.000 0.291 282 V C 0.087 176.239 176.094 0.097 0.000 1.024 282 V CA -0.793 61.572 62.300 0.108 0.000 0.861 282 V CB 1.839 33.711 31.823 0.081 0.000 0.985 282 V HN 0.627 nan 8.190 nan 0.000 0.436 283 K N 2.377 122.742 120.400 -0.057 0.000 2.098 283 K HA 0.512 4.832 4.320 0.000 0.000 0.261 283 K C 0.158 176.665 176.600 -0.155 0.000 0.987 283 K CA -0.296 55.799 56.287 -0.321 0.000 0.916 283 K CB 1.135 33.300 32.500 -0.559 0.000 1.039 283 K HN 0.708 nan 8.250 nan 0.000 0.455 284 S N 0.638 116.253 115.700 -0.141 0.000 2.601 284 S HA 0.301 4.771 4.470 0.000 0.000 0.271 284 S C 0.064 174.648 174.600 -0.027 0.000 1.305 284 S CA -0.694 57.490 58.200 -0.028 0.000 1.022 284 S CB 1.368 64.586 63.200 0.031 0.000 0.940 284 S HN 0.761 nan 8.310 nan 0.000 0.525 285 G N 0.251 109.073 108.800 0.035 0.000 2.572 285 G HA2 0.569 4.529 3.960 0.000 0.000 0.261 285 G HA3 0.569 4.529 3.960 0.000 0.000 0.261 285 G C 0.462 175.449 174.900 0.144 0.000 1.197 285 G CA 0.174 45.320 45.100 0.077 0.000 0.870 285 G HN 1.169 nan 8.290 nan 0.000 0.548 286 G N -0.828 108.118 108.800 0.242 0.000 2.295 286 G HA2 -0.146 3.814 3.960 0.000 0.000 0.195 286 G HA3 -0.146 3.814 3.960 0.000 0.000 0.195 286 G C 0.919 175.969 174.900 0.249 0.000 1.269 286 G CA 0.002 45.307 45.100 0.341 0.000 1.170 286 G HN 1.119 nan 8.290 nan 0.000 0.511 287 L N 1.097 122.272 121.223 -0.080 0.000 2.191 287 L HA 0.271 4.611 4.340 0.000 0.000 0.212 287 L C 2.192 178.987 176.870 -0.125 0.000 1.103 287 L CA 2.402 57.001 54.840 -0.401 0.000 0.769 287 L CB -0.415 41.569 42.059 -0.124 0.000 0.908 287 L HN 2.318 nan 8.230 nan 0.000 0.438 288 G N -2.420 106.367 108.800 -0.022 0.000 2.168 288 G HA2 -0.304 3.656 3.960 0.000 0.000 0.197 288 G HA3 -0.304 3.656 3.960 0.000 0.000 0.197 288 G C 0.242 175.030 174.900 -0.186 0.000 0.997 288 G CA 0.126 45.132 45.100 -0.157 0.000 0.658 288 G HN 0.362 nan 8.290 nan 0.000 0.513 289 Y N 0.731 121.062 120.300 0.052 0.000 2.449 289 Y HA 0.355 4.905 4.550 0.000 0.000 0.254 289 Y C 1.184 177.334 175.900 0.416 0.000 1.140 289 Y CA 0.293 58.567 58.100 0.290 0.000 1.272 289 Y CB 0.626 39.236 38.460 0.250 0.000 1.114 289 Y HN 0.008 nan 8.280 nan 0.000 0.525 290 K N 0.217 120.796 120.400 0.299 0.000 2.206 290 K HA 0.191 4.511 4.320 0.000 0.000 0.264 290 K C -0.970 175.723 176.600 0.155 0.000 0.967 290 K CA -0.321 56.135 56.287 0.282 0.000 0.844 290 K CB 1.501 34.107 32.500 0.176 0.000 1.099 290 K HN 0.092 nan 8.250 nan 0.000 0.441 291 W N 1.372 122.751 121.300 0.132 0.000 2.573 291 W HA 0.070 4.730 4.660 0.000 0.000 0.326 291 W C 1.103 177.677 176.519 0.092 0.000 1.049 291 W CA -0.522 56.914 57.345 0.152 0.000 1.220 291 W CB 2.096 31.695 29.460 0.231 0.000 1.373 291 W HN 0.702 nan 8.180 nan 0.000 0.507 292 S N 1.061 116.903 115.700 0.235 0.000 2.468 292 S HA 0.136 4.606 4.470 0.000 0.000 0.226 292 S C 0.076 174.778 174.600 0.170 0.000 1.051 292 S CA 0.272 58.568 58.200 0.160 0.000 0.943 292 S CB 0.496 63.754 63.200 0.096 0.000 0.810 292 S HN 0.553 nan 8.310 nan 0.000 0.509 293 E N -0.026 120.292 120.200 0.196 0.000 2.372 293 E HA 0.596 4.946 4.350 0.000 0.000 0.279 293 E C -1.712 174.980 176.600 0.155 0.000 0.946 293 E CA -0.520 55.976 56.400 0.159 0.000 0.769 293 E CB 2.346 32.112 29.700 0.109 0.000 1.230 293 E HN 0.198 nan 8.360 nan 0.000 0.442 294 I N 2.335 122.970 120.570 0.109 0.000 2.503 294 I HA 0.285 4.455 4.170 0.000 0.000 0.282 294 I C -0.756 175.326 176.117 -0.059 0.000 1.059 294 I CA -0.472 60.828 61.300 -0.001 0.000 1.081 294 I CB 1.444 39.417 38.000 -0.045 0.000 1.210 294 I HN 0.520 nan 8.210 nan 0.000 0.450 295 S N 4.373 120.019 115.700 -0.090 0.000 2.627 295 S HA 0.691 5.161 4.470 0.000 0.000 0.283 295 S C -0.747 173.785 174.600 -0.115 0.000 1.127 295 S CA -0.802 57.356 58.200 -0.071 0.000 0.863 295 S CB 1.799 65.035 63.200 0.060 0.000 1.121 295 S HN 0.246 nan 8.310 nan 0.000 0.479 296 F N 1.797 121.775 119.950 0.046 0.000 2.418 296 F HA 0.532 5.059 4.527 0.000 0.000 0.341 296 F C 0.825 176.692 175.800 0.112 0.000 1.120 296 F CA 0.071 58.121 58.000 0.083 0.000 1.232 296 F CB 1.081 40.145 39.000 0.106 0.000 1.175 296 F HN 0.780 nan 8.300 nan 0.000 0.569 297 K N 2.387 122.991 120.400 0.340 0.000 2.477 297 K HA 0.642 4.962 4.320 0.000 0.000 0.255 297 K C -3.304 173.457 176.600 0.268 0.000 0.952 297 K CA -2.235 54.201 56.287 0.248 0.000 0.826 297 K CB 1.975 34.578 32.500 0.172 0.000 1.331 297 K HN 0.113 nan 8.250 nan 0.000 0.437 298 P HA 0.106 nan 4.420 nan 0.000 0.269 298 P C -1.318 176.111 177.300 0.216 0.000 1.209 298 P CA -0.269 62.963 63.100 0.220 0.000 0.776 298 P CB 0.943 32.763 31.700 0.199 0.000 0.876 299 A N 2.449 125.396 122.820 0.212 0.000 2.422 299 A HA 0.577 4.897 4.320 0.000 0.000 0.302 299 A C -0.808 176.893 177.584 0.195 0.000 1.041 299 A CA -0.615 51.542 52.037 0.200 0.000 0.708 299 A CB 0.952 20.070 19.000 0.197 0.000 1.257 299 A HN 0.428 nan 8.150 nan 0.000 0.414 300 N N 0.399 119.219 118.700 0.200 0.000 2.492 300 N HA 0.646 5.386 4.740 0.000 0.000 0.289 300 N C -1.433 174.219 175.510 0.236 0.000 1.133 300 N CA 0.037 53.186 53.050 0.166 0.000 0.961 300 N CB 1.472 40.064 38.487 0.175 0.000 1.186 300 N HN 0.648 nan 8.380 nan 0.000 0.493 301 Y N 0.208 120.527 120.300 0.031 0.000 2.513 301 Y HA 0.258 4.808 4.550 0.000 0.000 0.340 301 Y C -1.375 174.585 175.900 0.101 0.000 1.055 301 Y CA -0.810 57.349 58.100 0.097 0.000 1.020 301 Y CB 1.365 39.900 38.460 0.125 0.000 1.301 301 Y HN 0.548 nan 8.280 nan 0.000 0.453 302 Q N 4.781 124.247 119.800 -0.556 0.000 2.397 302 Q HA 0.768 5.108 4.340 0.000 0.000 0.275 302 Q C -1.967 173.624 176.000 -0.682 0.000 1.090 302 Q CA -0.870 54.596 55.803 -0.562 0.000 0.809 302 Q CB 3.267 31.884 28.738 -0.202 0.000 1.362 302 Q HN 0.695 nan 8.270 nan 0.000 0.431 303 Y N -2.686 117.220 120.300 -0.657 0.000 2.779 303 Y HA 0.764 5.314 4.550 0.000 0.000 0.340 303 Y C -1.231 174.478 175.900 -0.318 0.000 1.252 303 Y CA -1.054 56.762 58.100 -0.473 0.000 1.072 303 Y CB 1.595 39.790 38.460 -0.443 0.000 1.343 303 Y HN 0.752 nan 8.280 nan 0.000 0.450 304 T N 0.041 114.593 114.554 -0.003 0.000 2.900 304 T HA 0.664 5.014 4.350 0.000 0.000 0.295 304 T C -2.295 172.508 174.700 0.172 0.000 1.044 304 T CA -0.451 61.641 62.100 -0.014 0.000 0.995 304 T CB 1.420 70.254 68.868 -0.056 0.000 1.072 304 T HN 0.760 nan 8.240 nan 0.000 0.473 305 Y N 0.881 121.196 120.300 0.025 0.000 2.625 305 Y HA 0.581 5.131 4.550 0.000 0.000 0.338 305 Y C -0.657 175.272 175.900 0.048 0.000 1.123 305 Y CA -0.565 57.566 58.100 0.052 0.000 1.046 305 Y CB 2.177 40.690 38.460 0.088 0.000 1.299 305 Y HN 0.667 nan 8.280 nan 0.000 0.464 306 T N 5.229 119.520 114.554 -0.439 0.000 2.859 306 T HA 0.601 4.951 4.350 0.000 0.000 0.281 306 T C -1.281 173.422 174.700 0.004 0.000 1.005 306 T CA -0.884 61.108 62.100 -0.180 0.000 1.025 306 T CB 0.856 69.573 68.868 -0.251 0.000 0.977 306 T HN 0.605 nan 8.240 nan 0.000 0.458 307 R N 1.143 121.695 120.500 0.087 0.000 2.510 307 R HA 0.395 4.735 4.340 0.000 0.000 0.287 307 R C -1.692 174.645 176.300 0.062 0.000 1.084 307 R CA -0.644 55.530 56.100 0.124 0.000 0.934 307 R CB 0.553 30.961 30.300 0.180 0.000 1.201 307 R HN 0.525 nan 8.270 nan 0.000 0.431 308 D N 2.650 123.077 120.400 0.046 0.000 2.704 308 D HA -0.181 4.459 4.640 0.000 0.000 0.232 308 D C 1.247 177.558 176.300 0.018 0.000 1.183 308 D CA 2.585 56.601 54.000 0.027 0.000 0.647 308 D CB -0.872 39.944 40.800 0.026 0.000 1.013 308 D HN 1.113 nan 8.370 nan 0.000 0.415 309 G N -0.162 108.643 108.800 0.008 0.000 2.267 309 G HA2 -0.368 3.592 3.960 0.000 0.000 0.257 309 G HA3 -0.368 3.592 3.960 0.000 0.000 0.257 309 G C 0.161 175.065 174.900 0.008 0.000 0.998 309 G CA 0.577 45.679 45.100 0.003 0.000 0.620 309 G HN 0.744 nan 8.290 nan 0.000 0.529 310 E N 1.049 121.262 120.200 0.021 0.000 2.249 310 E HA 0.582 4.932 4.350 0.000 0.000 0.280 310 E C -0.599 176.026 176.600 0.040 0.000 1.016 310 E CA -0.792 55.628 56.400 0.033 0.000 0.830 310 E CB 1.218 30.943 29.700 0.042 0.000 1.081 310 E HN 0.300 nan 8.360 nan 0.000 0.395 311 E N 2.880 123.101 120.200 0.035 0.000 2.130 311 E HA 0.191 4.541 4.350 0.000 0.000 0.284 311 E C -0.723 175.919 176.600 0.071 0.000 1.018 311 E CA -0.519 55.898 56.400 0.030 0.000 0.817 311 E CB 1.808 31.512 29.700 0.005 0.000 1.078 311 E HN 0.337 nan 8.360 nan 0.000 0.396 312 V N 3.448 123.427 119.914 0.108 0.000 2.398 312 V HA 0.205 4.325 4.120 0.000 0.000 0.286 312 V C 0.346 176.435 176.094 -0.009 0.000 1.026 312 V CA -0.539 61.864 62.300 0.171 0.000 0.868 312 V CB 1.747 33.763 31.823 0.322 0.000 0.982 312 V HN 0.567 nan 8.190 nan 0.000 0.443 313 T N 4.827 119.288 114.554 -0.154 0.000 2.767 313 T HA 0.718 5.068 4.350 0.000 0.000 0.284 313 T C 0.075 174.281 174.700 -0.823 0.000 0.973 313 T CA -0.114 61.733 62.100 -0.423 0.000 0.996 313 T CB 1.334 69.992 68.868 -0.351 0.000 0.927 313 T HN 0.945 nan 8.240 nan 0.000 0.456 314 A N 3.471 125.652 122.820 -1.065 0.000 2.423 314 A HA 0.816 5.136 4.320 0.000 0.000 0.304 314 A C -1.068 175.590 177.584 -1.543 0.000 1.104 314 A CA -0.805 50.476 52.037 -1.261 0.000 0.757 314 A CB 1.211 19.620 19.000 -0.985 0.000 1.313 314 A HN 0.858 nan 8.150 nan 0.000 0.423 315 H N 0.199 118.778 119.070 -0.819 0.000 2.768 315 H HA 0.714 5.270 4.556 0.000 0.000 0.371 315 H C -0.666 174.355 175.328 -0.511 0.000 1.151 315 H CA 0.126 55.720 56.048 -0.757 0.000 1.165 315 H CB 2.142 31.319 29.762 -0.974 0.000 1.722 315 H HN 0.883 nan 8.280 nan 0.000 0.543 316 T N -0.626 113.776 114.554 -0.254 0.000 2.900 316 T HA 0.534 4.884 4.350 0.000 0.000 0.303 316 T C -0.487 174.112 174.700 -0.169 0.000 1.142 316 T CA -0.885 61.163 62.100 -0.085 0.000 1.007 316 T CB 2.123 71.107 68.868 0.192 0.000 1.156 316 T HN 0.417 nan 8.240 nan 0.000 0.490 317 T N 1.278 115.801 114.554 -0.052 0.000 2.879 317 T HA 0.541 4.891 4.350 0.000 0.000 0.290 317 T C -0.872 173.908 174.700 0.133 0.000 0.993 317 T CA -0.595 61.552 62.100 0.079 0.000 0.975 317 T CB 0.964 69.998 68.868 0.277 0.000 0.981 317 T HN 1.046 nan 8.240 nan 0.000 0.439 318 C N 4.854 124.222 119.300 0.114 0.000 2.303 318 C HA 0.884 5.344 4.460 0.000 0.000 0.326 318 C C 0.257 175.308 174.990 0.103 0.000 1.285 318 C CA -0.228 58.807 59.018 0.028 0.000 1.675 318 C CB -1.089 26.613 27.740 -0.064 0.000 2.289 318 C HN 1.006 nan 8.230 nan 0.000 0.512 319 S N 4.856 120.631 115.700 0.125 0.000 2.627 319 S HA 0.855 5.325 4.470 0.000 0.000 0.283 319 S C -0.693 174.016 174.600 0.181 0.000 1.127 319 S CA -0.404 57.908 58.200 0.186 0.000 0.863 319 S CB 1.200 64.524 63.200 0.205 0.000 1.121 319 S HN 1.801 nan 8.310 nan 0.000 0.479 320 V N -0.503 119.506 119.914 0.159 0.000 2.960 320 V HA 0.907 5.027 4.120 0.000 0.000 0.315 320 V C -0.873 175.336 176.094 0.191 0.000 1.087 320 V CA -0.719 61.630 62.300 0.082 0.000 0.982 320 V CB 1.545 33.222 31.823 -0.243 0.000 1.039 320 V HN 1.042 nan 8.190 nan 0.000 0.437 321 N N 0.490 119.327 118.700 0.227 0.000 2.329 321 N HA 0.670 5.410 4.740 0.000 0.000 0.282 321 N C 0.315 175.950 175.510 0.208 0.000 1.198 321 N CA 0.509 53.737 53.050 0.297 0.000 0.790 321 N CB 2.078 40.941 38.487 0.626 0.000 1.579 321 N HN 1.829 nan 8.380 nan 0.000 0.475 322 G N 1.318 110.225 108.800 0.179 0.000 2.160 322 G HA2 -0.235 3.725 3.960 0.000 0.000 0.251 322 G HA3 -0.235 3.725 3.960 0.000 0.000 0.251 322 G C 0.437 175.396 174.900 0.098 0.000 1.008 322 G CA 0.808 45.991 45.100 0.137 0.000 0.724 322 G HN 0.647 nan 8.290 nan 0.000 0.514 323 M N -0.714 118.946 119.600 0.099 0.000 2.198 323 M HA 0.402 4.882 4.480 0.000 0.000 0.315 323 M C -0.084 176.291 176.300 0.125 0.000 1.134 323 M CA 0.080 55.441 55.300 0.100 0.000 1.171 323 M CB 0.102 32.791 32.600 0.148 0.000 1.413 323 M HN 0.081 nan 8.290 nan 0.000 0.467 324 N N 1.317 120.102 118.700 0.141 0.000 2.399 324 N HA 0.321 5.061 4.740 0.000 0.000 0.295 324 N C -1.455 174.186 175.510 0.219 0.000 1.048 324 N CA -0.500 52.673 53.050 0.205 0.000 0.886 324 N CB 1.461 40.150 38.487 0.337 0.000 1.185 324 N HN 0.542 nan 8.380 nan 0.000 0.487 325 D N 1.806 122.324 120.400 0.197 0.000 2.347 325 D HA 0.305 4.945 4.640 0.000 0.000 0.235 325 D C -0.307 176.096 176.300 0.172 0.000 1.149 325 D CA 0.157 54.236 54.000 0.132 0.000 0.850 325 D CB 0.518 41.359 40.800 0.068 0.000 1.061 325 D HN 0.223 nan 8.370 nan 0.000 0.487 326 F N 1.586 121.304 119.950 -0.387 0.000 2.518 326 F HA 0.441 4.968 4.527 0.000 0.000 0.338 326 F C 0.748 176.245 175.800 -0.506 0.000 1.065 326 F CA -1.144 56.531 58.000 -0.541 0.000 1.012 326 F CB 1.128 39.499 39.000 -1.048 0.000 1.297 326 F HN 0.278 nan 8.300 nan 0.000 0.489 327 N N -0.557 118.103 118.700 -0.065 0.000 2.710 327 N HA 0.491 5.231 4.740 0.000 0.000 0.257 327 N C -2.208 173.481 175.510 0.299 0.000 1.327 327 N CA -0.700 52.430 53.050 0.134 0.000 0.861 327 N CB 1.830 40.334 38.487 0.028 0.000 1.532 327 N HN 0.352 nan 8.380 nan 0.000 0.499 328 F N 1.503 121.531 119.950 0.129 0.000 2.507 328 F HA 0.562 5.089 4.527 0.000 0.000 0.328 328 F C -1.173 174.562 175.800 -0.109 0.000 1.136 328 F CA -0.897 57.111 58.000 0.014 0.000 0.930 328 F CB 1.499 40.448 39.000 -0.084 0.000 1.166 328 F HN 0.717 nan 8.300 nan 0.000 0.436 329 N N 3.804 121.916 118.700 -0.981 0.000 2.707 329 N HA 0.290 5.030 4.740 0.000 0.000 0.235 329 N C 0.751 175.678 175.510 -0.973 0.000 1.028 329 N CA 0.011 52.608 53.050 -0.755 0.000 0.906 329 N CB 1.305 39.562 38.487 -0.384 0.000 1.131 329 N HN 0.824 nan 8.380 nan 0.000 0.509 330 G N 0.838 109.084 108.800 -0.924 0.000 2.744 330 G HA2 0.386 4.346 3.960 0.000 0.000 0.211 330 G HA3 0.386 4.346 3.960 0.000 0.000 0.211 330 G C 0.563 175.368 174.900 -0.158 0.000 1.143 330 G CA 0.341 45.205 45.100 -0.394 0.000 0.788 330 G HN 0.847 nan 8.290 nan 0.000 0.534 331 G N -1.409 107.281 108.800 -0.183 0.000 2.347 331 G HA2 0.336 4.296 3.960 0.000 0.000 0.321 331 G HA3 0.336 4.296 3.960 0.000 0.000 0.321 331 G C 0.428 175.282 174.900 -0.077 0.000 1.412 331 G CA 0.385 45.422 45.100 -0.105 0.000 0.990 331 G HN 0.774 nan 8.290 nan 0.000 0.637 332 S N -0.866 114.799 115.700 -0.059 0.000 2.575 332 S HA 0.365 4.835 4.470 0.000 0.000 0.215 332 S C 1.029 175.689 174.600 0.101 0.000 0.966 332 S CA -0.140 58.050 58.200 -0.017 0.000 0.911 332 S CB -0.239 62.917 63.200 -0.073 0.000 0.780 332 S HN 0.635 nan 8.310 nan 0.000 0.514 333 L N 1.414 122.607 121.223 -0.048 0.000 2.436 333 L HA 0.306 4.646 4.340 0.000 0.000 0.265 333 L C -1.521 175.083 176.870 -0.443 0.000 1.168 333 L CA -2.154 52.529 54.840 -0.261 0.000 0.815 333 L CB 0.351 42.256 42.059 -0.257 0.000 1.109 333 L HN -0.028 nan 8.230 nan 0.000 0.462 334 P HA -0.151 nan 4.420 nan 0.000 0.217 334 P C 1.130 178.147 177.300 -0.473 0.000 1.148 334 P CA 1.245 63.817 63.100 -0.879 0.000 0.828 334 P CB 0.046 31.186 31.700 -0.934 0.000 0.783 335 T N -5.525 108.683 114.554 -0.577 0.000 3.144 335 T HA 0.104 4.454 4.350 0.000 0.000 0.249 335 T C 0.302 174.590 174.700 -0.686 0.000 1.089 335 T CA -0.230 61.248 62.100 -1.037 0.000 0.989 335 T CB -0.489 68.010 68.868 -0.614 0.000 0.992 335 T HN -0.080 nan 8.240 nan 0.000 0.540 336 D N 1.847 122.090 120.400 -0.263 0.000 2.225 336 D HA 0.292 4.932 4.640 0.000 0.000 0.248 336 D C -0.542 175.888 176.300 0.217 0.000 1.096 336 D CA -0.764 53.234 54.000 -0.002 0.000 0.863 336 D CB 0.893 41.685 40.800 -0.014 0.000 1.156 336 D HN 0.202 nan 8.370 nan 0.000 0.450 337 F N 3.008 123.099 119.950 0.234 0.000 2.578 337 F HA 0.220 4.747 4.527 0.000 0.000 0.376 337 F C -0.643 175.341 175.800 0.307 0.000 1.085 337 F CA -0.088 58.122 58.000 0.349 0.000 1.260 337 F CB 0.347 39.539 39.000 0.320 0.000 1.095 337 F HN 0.002 nan 8.300 nan 0.000 0.573 338 V N 7.533 127.285 119.914 -0.271 0.000 2.971 338 V HA 0.446 4.566 4.120 0.000 0.000 0.309 338 V C -0.503 175.420 176.094 -0.285 0.000 1.130 338 V CA -0.955 61.156 62.300 -0.317 0.000 0.964 338 V CB 2.308 34.081 31.823 -0.083 0.000 1.029 338 V HN 0.584 nan 8.190 nan 0.000 0.427 339 I N 2.237 122.690 120.570 -0.194 0.000 2.476 339 I HA 0.285 4.455 4.170 0.000 0.000 0.281 339 I C 1.016 177.195 176.117 0.102 0.000 1.040 339 I CA -0.114 61.195 61.300 0.014 0.000 1.094 339 I CB 2.024 40.023 38.000 -0.001 0.000 1.219 339 I HN 0.593 nan 8.210 nan 0.000 0.450 340 S N 4.216 119.984 115.700 0.113 0.000 2.399 340 S HA -0.010 4.460 4.470 0.000 0.000 0.231 340 S C 0.823 175.478 174.600 0.092 0.000 1.022 340 S CA 1.150 59.394 58.200 0.074 0.000 0.983 340 S CB -0.053 63.184 63.200 0.062 0.000 0.803 340 S HN 0.621 nan 8.310 nan 0.000 0.480 341 R N 0.013 120.601 120.500 0.147 0.000 2.523 341 R HA 0.325 4.665 4.340 0.000 0.000 0.278 341 R C -2.193 174.230 176.300 0.204 0.000 1.150 341 R CA -0.627 55.549 56.100 0.126 0.000 0.987 341 R CB 1.009 31.360 30.300 0.085 0.000 1.232 341 R HN 0.297 nan 8.270 nan 0.000 0.424 342 Y N 0.431 120.781 120.300 0.084 0.000 2.442 342 Y HA 0.545 5.095 4.550 0.000 0.000 0.344 342 Y C -0.919 174.978 175.900 -0.006 0.000 0.976 342 Y CA -1.082 57.021 58.100 0.005 0.000 1.040 342 Y CB 1.574 40.014 38.460 -0.034 0.000 1.228 342 Y HN 0.387 nan 8.280 nan 0.000 0.451 343 E N 2.690 122.909 120.200 0.030 0.000 2.301 343 E HA 0.587 4.937 4.350 0.000 0.000 0.275 343 E C -1.223 175.353 176.600 -0.040 0.000 1.030 343 E CA -1.010 55.403 56.400 0.020 0.000 0.852 343 E CB 2.301 32.097 29.700 0.159 0.000 1.060 343 E HN 0.529 nan 8.360 nan 0.000 0.401 344 V N 4.141 124.019 119.914 -0.060 0.000 2.623 344 V HA 0.307 4.427 4.120 0.000 0.000 0.304 344 V C -0.131 175.973 176.094 0.016 0.000 1.054 344 V CA -0.846 61.358 62.300 -0.158 0.000 0.882 344 V CB 1.438 32.841 31.823 -0.701 0.000 1.002 344 V HN 0.545 nan 8.190 nan 0.000 0.424 345 I N 1.929 122.526 120.570 0.045 0.000 2.396 345 I HA 0.704 4.874 4.170 0.000 0.000 0.292 345 I C -0.304 175.816 176.117 0.005 0.000 0.999 345 I CA -0.329 60.951 61.300 -0.033 0.000 1.310 345 I CB 1.043 38.930 38.000 -0.190 0.000 1.404 345 I HN 0.528 nan 8.210 nan 0.000 0.496 346 K N 3.764 124.181 120.400 0.029 0.000 2.409 346 K HA 0.376 4.696 4.320 0.000 0.000 0.252 346 K C 0.363 176.972 176.600 0.015 0.000 1.036 346 K CA -0.855 55.468 56.287 0.061 0.000 0.871 346 K CB 1.964 34.537 32.500 0.121 0.000 1.374 346 K HN 0.537 nan 8.250 nan 0.000 0.459 347 E N 1.354 121.563 120.200 0.015 0.000 2.095 347 E HA -0.294 4.056 4.350 0.000 0.000 0.212 347 E C 1.130 177.672 176.600 -0.097 0.000 1.044 347 E CA 2.186 58.569 56.400 -0.028 0.000 0.857 347 E CB -0.280 29.409 29.700 -0.019 0.000 0.764 347 E HN 0.594 nan 8.360 nan 0.000 0.462 348 N N 1.021 119.676 118.700 -0.076 0.000 2.696 348 N HA -0.079 4.661 4.740 0.000 0.000 0.196 348 N C -0.025 175.388 175.510 -0.162 0.000 1.220 348 N CA 0.456 53.439 53.050 -0.111 0.000 0.940 348 N CB -0.126 38.339 38.487 -0.037 0.000 0.999 348 N HN -0.120 nan 8.380 nan 0.000 0.447 349 S N -0.807 114.794 115.700 -0.163 0.000 2.722 349 S HA 0.554 5.024 4.470 0.000 0.000 0.292 349 S C -0.851 173.584 174.600 -0.275 0.000 1.135 349 S CA -0.565 57.553 58.200 -0.138 0.000 1.003 349 S CB 0.837 64.007 63.200 -0.049 0.000 1.067 349 S HN 0.161 nan 8.310 nan 0.000 0.546 350 Y N -0.316 119.923 120.300 -0.101 0.000 2.545 350 Y HA 0.559 5.109 4.550 0.000 0.000 0.348 350 Y C -0.483 175.207 175.900 -0.349 0.000 1.002 350 Y CA -0.929 57.020 58.100 -0.252 0.000 1.039 350 Y CB 1.476 39.666 38.460 -0.450 0.000 1.271 350 Y HN 0.327 nan 8.280 nan 0.000 0.467 351 V N 3.269 123.111 119.914 -0.119 0.000 2.459 351 V HA 0.422 4.542 4.120 0.000 0.000 0.295 351 V C -1.272 174.670 176.094 -0.254 0.000 1.029 351 V CA -1.109 61.115 62.300 -0.128 0.000 0.874 351 V CB 1.163 32.975 31.823 -0.018 0.000 0.985 351 V HN 0.598 nan 8.190 nan 0.000 0.438 352 Y N 3.165 123.526 120.300 0.102 0.000 2.393 352 Y HA 0.675 5.225 4.550 0.000 0.000 0.341 352 Y C 0.037 175.986 175.900 0.082 0.000 0.988 352 Y CA -1.102 57.051 58.100 0.088 0.000 1.078 352 Y CB 2.246 40.740 38.460 0.057 0.000 1.203 352 Y HN 0.485 nan 8.280 nan 0.000 0.453 353 V N -0.114 119.971 119.914 0.285 0.000 2.409 353 V HA 0.504 4.624 4.120 0.000 0.000 0.290 353 V C -0.852 175.439 176.094 0.329 0.000 1.017 353 V CA -0.898 61.531 62.300 0.215 0.000 0.841 353 V CB 1.248 33.103 31.823 0.052 0.000 1.003 353 V HN 0.640 nan 8.190 nan 0.000 0.426 354 D N 4.216 124.794 120.400 0.298 0.000 2.302 354 D HA 0.428 5.068 4.640 0.000 0.000 0.248 354 D C -0.790 175.762 176.300 0.420 0.000 1.094 354 D CA 0.456 54.664 54.000 0.347 0.000 0.897 354 D CB 2.072 43.062 40.800 0.317 0.000 1.200 354 D HN 0.906 nan 8.370 nan 0.000 0.429 355 Y N 0.526 121.001 120.300 0.291 0.000 2.534 355 Y HA 0.590 5.140 4.550 0.000 0.000 0.345 355 Y C -1.960 174.131 175.900 0.319 0.000 1.031 355 Y CA -1.226 56.964 58.100 0.151 0.000 1.022 355 Y CB 1.387 39.932 38.460 0.141 0.000 1.292 355 Y HN 0.538 nan 8.280 nan 0.000 0.459 356 W N 4.973 125.874 121.300 -0.665 0.000 3.479 356 W HA 0.759 5.419 4.660 0.000 0.000 0.304 356 W C -2.123 174.017 176.519 -0.631 0.000 1.243 356 W CA -0.548 56.352 57.345 -0.741 0.000 1.202 356 W CB 1.171 30.386 29.460 -0.409 0.000 1.346 356 W HN 0.776 nan 8.180 nan 0.000 0.539 357 D N 0.544 120.636 120.400 -0.512 0.000 3.557 357 D HA 0.156 4.796 4.640 0.000 0.000 0.331 357 D C -0.717 175.506 176.300 -0.128 0.000 1.442 357 D CA -0.281 53.618 54.000 -0.168 0.000 0.971 357 D CB 0.906 41.442 40.800 -0.440 0.000 1.423 357 D HN 0.351 nan 8.370 nan 0.000 0.604 358 D N -0.055 120.224 120.400 -0.203 0.000 2.910 358 D HA 0.125 4.765 4.640 0.000 0.000 0.241 358 D C -0.262 176.112 176.300 0.123 0.000 1.346 358 D CA 0.377 54.348 54.000 -0.049 0.000 1.227 358 D CB -0.007 40.725 40.800 -0.113 0.000 0.926 358 D HN 0.277 nan 8.370 nan 0.000 0.212 359 S N 0.631 116.419 115.700 0.147 0.000 4.212 359 S HA -0.224 4.246 4.470 0.000 0.000 0.491 359 S C 1.451 176.257 174.600 0.344 0.000 1.065 359 S CA 1.020 59.447 58.200 0.377 0.000 0.888 359 S CB -0.158 63.547 63.200 0.842 0.000 1.263 359 S HN 0.462 nan 8.310 nan 0.000 0.406 360 Q N 2.925 122.838 119.800 0.187 0.000 2.152 360 Q HA -0.239 4.101 4.340 0.000 0.000 0.206 360 Q C 2.176 178.224 176.000 0.080 0.000 0.985 360 Q CA 1.791 57.667 55.803 0.122 0.000 0.863 360 Q CB -0.469 28.313 28.738 0.074 0.000 0.904 360 Q HN 0.836 nan 8.270 nan 0.000 0.422 361 A N 0.675 123.505 122.820 0.017 0.000 1.902 361 A HA -0.097 4.223 4.320 0.000 0.000 0.217 361 A C 1.752 179.250 177.584 -0.143 0.000 1.181 361 A CA 1.256 53.194 52.037 -0.165 0.000 0.623 361 A CB -0.799 18.002 19.000 -0.332 0.000 0.818 361 A HN 0.452 nan 8.150 nan 0.000 0.443 362 F N -0.498 119.506 119.950 0.090 0.000 2.146 362 F HA -0.079 4.448 4.527 0.000 0.000 0.298 362 F C 2.499 178.380 175.800 0.136 0.000 1.096 362 F CA 1.626 59.721 58.000 0.159 0.000 1.275 362 F CB -0.352 38.754 39.000 0.177 0.000 1.008 362 F HN 0.031 nan 8.300 nan 0.000 0.480 363 R N 0.182 120.867 120.500 0.309 0.000 2.189 363 R HA -0.053 4.287 4.340 0.000 0.000 0.223 363 R C 1.154 177.488 176.300 0.057 0.000 1.092 363 R CA 0.884 57.116 56.100 0.219 0.000 0.989 363 R CB -0.322 30.106 30.300 0.213 0.000 0.876 363 R HN 0.165 nan 8.270 nan 0.000 0.457 364 N N 0.048 118.752 118.700 0.008 0.000 2.383 364 N HA 0.036 4.776 4.740 0.000 0.000 0.192 364 N C -0.345 175.055 175.510 -0.183 0.000 1.141 364 N CA 0.376 53.367 53.050 -0.100 0.000 0.851 364 N CB 0.311 38.757 38.487 -0.068 0.000 0.976 364 N HN 0.195 nan 8.380 nan 0.000 0.465 365 M N 1.266 120.804 119.600 -0.103 0.000 2.350 365 M HA 0.137 4.617 4.480 0.000 0.000 0.338 365 M C -0.629 175.558 176.300 -0.189 0.000 1.559 365 M CA 0.310 55.563 55.300 -0.077 0.000 1.217 365 M CB 0.421 33.067 32.600 0.077 0.000 1.808 365 M HN -0.299 nan 8.290 nan 0.000 0.458 366 V N 3.605 123.358 119.914 -0.269 0.000 2.971 366 V HA 0.337 4.457 4.120 0.000 0.000 0.309 366 V C -0.802 175.238 176.094 -0.090 0.000 1.130 366 V CA -0.797 61.227 62.300 -0.460 0.000 0.964 366 V CB 1.995 32.952 31.823 -1.444 0.000 1.029 366 V HN 0.730 nan 8.190 nan 0.000 0.427 367 Y N 0.835 121.165 120.300 0.050 0.000 3.037 367 Y HA -0.168 4.382 4.550 0.000 0.000 0.204 367 Y C 0.158 176.110 175.900 0.087 0.000 1.275 367 Y CA -0.015 58.145 58.100 0.101 0.000 1.066 367 Y CB -1.987 36.579 38.460 0.176 0.000 1.305 367 Y HN 0.304 nan 8.280 nan 0.000 0.499 368 V N 1.529 121.565 119.914 0.203 0.000 2.488 368 V HA 0.153 4.273 4.120 0.000 0.000 0.277 368 V C 1.451 177.616 176.094 0.119 0.000 1.046 368 V CA 0.242 62.634 62.300 0.154 0.000 0.986 368 V CB 1.702 33.598 31.823 0.121 0.000 0.989 368 V HN 0.562 nan 8.190 nan 0.000 0.475 369 R N 3.161 123.725 120.500 0.106 0.000 2.156 369 R HA 0.194 4.534 4.340 0.000 0.000 0.207 369 R C 0.730 177.062 176.300 0.053 0.000 1.040 369 R CA 0.673 56.811 56.100 0.064 0.000 1.013 369 R CB 0.456 30.786 30.300 0.050 0.000 0.931 369 R HN 0.653 nan 8.270 nan 0.000 0.465 370 S N -0.321 115.421 115.700 0.069 0.000 2.537 370 S HA 0.525 4.995 4.470 0.000 0.000 0.270 370 S C -1.890 172.760 174.600 0.084 0.000 1.142 370 S CA -0.791 57.443 58.200 0.058 0.000 0.870 370 S CB 1.545 64.774 63.200 0.049 0.000 1.112 370 S HN 0.193 nan 8.310 nan 0.000 0.466 371 L N 3.313 124.578 121.223 0.070 0.000 2.516 371 L HA 0.859 5.199 4.340 0.000 0.000 0.267 371 L C -1.041 175.881 176.870 0.086 0.000 0.957 371 L CA -0.270 54.635 54.840 0.108 0.000 0.860 371 L CB 1.550 43.657 42.059 0.080 0.000 1.265 371 L HN 0.860 nan 8.230 nan 0.000 0.403 372 A N 3.812 126.714 122.820 0.137 0.000 2.414 372 A HA 0.963 5.283 4.320 0.000 0.000 0.306 372 A C -1.150 176.541 177.584 0.179 0.000 1.054 372 A CA -0.158 51.947 52.037 0.113 0.000 0.724 372 A CB 1.889 20.940 19.000 0.085 0.000 1.267 372 A HN 0.880 nan 8.150 nan 0.000 0.418 373 A N 1.395 124.305 122.820 0.150 0.000 2.355 373 A HA 0.720 5.040 4.320 0.000 0.000 0.317 373 A C -0.661 176.997 177.584 0.123 0.000 1.094 373 A CA -0.649 51.498 52.037 0.182 0.000 0.764 373 A CB 0.961 20.065 19.000 0.173 0.000 1.230 373 A HN 0.830 nan 8.150 nan 0.000 0.448 374 N N 2.002 120.778 118.700 0.127 0.000 2.626 374 N HA 0.579 5.319 4.740 0.000 0.000 0.242 374 N C -1.192 174.372 175.510 0.090 0.000 1.005 374 N CA -0.131 52.975 53.050 0.093 0.000 0.905 374 N CB 0.074 38.609 38.487 0.080 0.000 1.128 374 N HN 0.576 nan 8.380 nan 0.000 0.512 375 L N 1.133 122.408 121.223 0.085 0.000 2.301 375 L HA 0.625 4.965 4.340 0.000 0.000 0.264 375 L C 0.344 177.263 176.870 0.082 0.000 1.016 375 L CA -1.272 53.617 54.840 0.082 0.000 0.821 375 L CB 1.350 43.464 42.059 0.093 0.000 1.346 375 L HN 0.325 nan 8.230 nan 0.000 0.429 376 N N -0.222 118.517 118.700 0.064 0.000 2.413 376 N HA 0.377 5.117 4.740 0.000 0.000 0.266 376 N C -0.366 175.174 175.510 0.049 0.000 1.238 376 N CA -0.357 52.725 53.050 0.053 0.000 0.972 376 N CB 1.428 39.935 38.487 0.033 0.000 1.210 376 N HN 0.735 nan 8.380 nan 0.000 0.547 377 S N -1.187 114.528 115.700 0.024 0.000 2.719 377 S HA 0.731 5.201 4.470 0.000 0.000 0.285 377 S C -0.174 174.376 174.600 -0.083 0.000 1.137 377 S CA -0.639 57.534 58.200 -0.045 0.000 1.012 377 S CB 1.414 64.569 63.200 -0.075 0.000 1.134 377 S HN 0.380 nan 8.310 nan 0.000 0.544 378 V N 0.113 119.929 119.914 -0.163 0.000 3.077 378 V HA 0.501 4.621 4.120 0.000 0.000 0.299 378 V C -1.849 174.155 176.094 -0.149 0.000 1.276 378 V CA -0.966 61.260 62.300 -0.123 0.000 0.993 378 V CB 1.843 33.600 31.823 -0.110 0.000 1.076 378 V HN 0.968 nan 8.190 nan 0.000 0.434 379 I N 4.825 125.342 120.570 -0.088 0.000 2.354 379 I HA 0.491 4.661 4.170 0.000 0.000 0.292 379 I C -0.520 175.517 176.117 -0.133 0.000 0.989 379 I CA -0.384 60.868 61.300 -0.080 0.000 1.188 379 I CB 1.418 39.411 38.000 -0.010 0.000 1.342 379 I HN 0.511 nan 8.210 nan 0.000 0.457 380 C N 4.207 123.372 119.300 -0.225 0.000 2.281 380 C HA 0.596 5.056 4.460 0.000 0.000 0.325 380 C C 0.449 175.400 174.990 -0.064 0.000 1.282 380 C CA -0.485 58.310 59.018 -0.372 0.000 1.640 380 C CB 0.580 27.993 27.740 -0.544 0.000 2.288 380 C HN 0.692 nan 8.230 nan 0.000 0.507 381 T N 2.028 116.636 114.554 0.090 0.000 2.841 381 T HA 0.602 4.952 4.350 0.000 0.000 0.283 381 T C 0.419 175.157 174.700 0.064 0.000 1.000 381 T CA -0.119 62.020 62.100 0.065 0.000 0.977 381 T CB 1.653 70.562 68.868 0.068 0.000 0.979 381 T HN 0.941 nan 8.240 nan 0.000 0.446 382 G N 1.307 110.111 108.800 0.007 0.000 2.432 382 G HA2 0.527 4.487 3.960 0.000 0.000 0.257 382 G HA3 0.527 4.487 3.960 0.000 0.000 0.257 382 G C 0.455 175.347 174.900 -0.014 0.000 1.238 382 G CA -0.452 44.632 45.100 -0.026 0.000 0.838 382 G HN 0.861 nan 8.290 nan 0.000 0.547 383 G N 0.578 109.366 108.800 -0.020 0.000 2.532 383 G HA2 0.486 4.446 3.960 0.000 0.000 0.291 383 G HA3 0.486 4.446 3.960 0.000 0.000 0.291 383 G C -0.674 174.214 174.900 -0.021 0.000 1.349 383 G CA -0.588 44.501 45.100 -0.018 0.000 1.038 383 G HN 0.506 nan 8.290 nan 0.000 0.518 384 D N -1.290 119.097 120.400 -0.022 0.000 2.312 384 D HA 0.440 5.080 4.640 0.000 0.000 0.248 384 D C -1.228 175.061 176.300 -0.018 0.000 1.086 384 D CA 0.409 54.395 54.000 -0.025 0.000 0.948 384 D CB 1.560 42.336 40.800 -0.041 0.000 1.162 384 D HN 0.221 nan 8.370 nan 0.000 0.446 385 Y N 0.096 120.272 120.300 -0.207 0.000 2.361 385 Y HA 0.276 4.826 4.550 0.000 0.000 0.328 385 Y C -0.996 174.609 175.900 -0.493 0.000 1.044 385 Y CA -0.499 57.385 58.100 -0.361 0.000 1.085 385 Y CB 1.419 39.599 38.460 -0.466 0.000 1.194 385 Y HN 0.178 nan 8.280 nan 0.000 0.438 386 S N 5.772 120.941 115.700 -0.885 0.000 2.554 386 S HA 0.496 4.966 4.470 0.000 0.000 0.278 386 S C -1.132 172.871 174.600 -0.995 0.000 1.242 386 S CA -0.368 57.451 58.200 -0.634 0.000 1.051 386 S CB 0.287 63.323 63.200 -0.274 0.000 0.986 386 S HN 0.482 nan 8.310 nan 0.000 0.502 387 F N 1.981 121.592 119.950 -0.565 0.000 2.293 387 F HA 0.417 4.944 4.527 0.000 0.000 0.370 387 F C 0.735 176.070 175.800 -0.776 0.000 1.090 387 F CA -0.827 56.718 58.000 -0.759 0.000 1.133 387 F CB 0.448 38.746 39.000 -1.170 0.000 1.360 387 F HN 0.631 nan 8.300 nan 0.000 0.489 388 A N 5.930 128.247 122.820 -0.838 0.000 2.541 388 A HA 0.387 4.707 4.320 0.000 0.000 0.293 388 A C 0.072 177.367 177.584 -0.482 0.000 1.307 388 A CA -0.219 50.873 52.037 -1.574 0.000 0.978 388 A CB -0.632 17.560 19.000 -1.347 0.000 1.111 388 A HN 0.760 nan 8.150 nan 0.000 0.535 389 L N 3.654 124.703 121.223 -0.290 0.000 2.418 389 L HA 0.222 4.562 4.340 0.000 0.000 0.265 389 L C -1.269 175.531 176.870 -0.116 0.000 1.143 389 L CA -1.837 52.935 54.840 -0.112 0.000 0.809 389 L CB 0.735 42.814 42.059 0.033 0.000 1.124 389 L HN 0.408 nan 8.230 nan 0.000 0.456 390 P HA -0.112 nan 4.420 nan 0.000 0.216 390 P C -0.264 177.039 177.300 0.006 0.000 1.153 390 P CA 1.009 63.995 63.100 -0.191 0.000 0.858 390 P CB 0.259 31.774 31.700 -0.307 0.000 0.789 391 V N -2.018 117.933 119.914 0.062 0.000 2.760 391 V HA 0.716 4.836 4.120 0.000 0.000 0.309 391 V C 0.153 176.384 176.094 0.227 0.000 1.077 391 V CA -0.071 62.333 62.300 0.174 0.000 0.910 391 V CB 1.332 33.282 31.823 0.210 0.000 1.008 391 V HN 0.402 nan 8.190 nan 0.000 0.424 392 G N 3.757 112.652 108.800 0.159 0.000 2.612 392 G HA2 -0.079 3.881 3.960 0.000 0.000 0.686 392 G HA3 -0.079 3.881 3.960 0.000 0.000 0.686 392 G C -0.863 174.107 174.900 0.117 0.000 1.274 392 G CA -0.823 44.360 45.100 0.138 0.000 0.849 392 G HN 0.707 nan 8.290 nan 0.000 0.595 393 Q N -0.683 119.148 119.800 0.052 0.000 2.392 393 Q HA 0.252 4.592 4.340 0.000 0.000 0.262 393 Q C -0.206 175.885 176.000 0.152 0.000 1.003 393 Q CA 0.142 55.937 55.803 -0.013 0.000 0.888 393 Q CB 0.727 29.445 28.738 -0.033 0.000 1.260 393 Q HN 0.505 nan 8.270 nan 0.000 0.435 394 W N 2.719 123.969 121.300 -0.084 0.000 2.322 394 W HA 0.293 4.953 4.660 0.000 0.000 0.307 394 W C -2.172 174.243 176.519 -0.174 0.000 1.220 394 W CA -2.883 54.383 57.345 -0.130 0.000 1.210 394 W CB -0.450 28.939 29.460 -0.119 0.000 1.223 394 W HN 0.447 nan 8.180 nan 0.000 0.511 395 P HA 0.144 nan 4.420 nan 0.000 0.271 395 P C -0.607 176.695 177.300 0.003 0.000 1.218 395 P CA -0.083 62.900 63.100 -0.195 0.000 0.780 395 P CB 0.916 32.202 31.700 -0.690 0.000 0.901 396 V N 3.869 123.801 119.914 0.030 0.000 2.483 396 V HA 0.349 4.469 4.120 0.000 0.000 0.297 396 V C 0.011 176.161 176.094 0.093 0.000 1.027 396 V CA -0.633 61.706 62.300 0.065 0.000 0.855 396 V CB 1.613 33.443 31.823 0.010 0.000 0.995 396 V HN 0.581 nan 8.190 nan 0.000 0.424 397 M N 4.138 123.846 119.600 0.181 0.000 2.185 397 M HA 0.517 4.997 4.480 0.000 0.000 0.357 397 M C -0.211 176.118 176.300 0.048 0.000 1.260 397 M CA 0.690 56.064 55.300 0.123 0.000 1.124 397 M CB 0.955 33.632 32.600 0.129 0.000 1.600 397 M HN 0.809 nan 8.290 nan 0.000 0.467 398 T N 3.414 118.001 114.554 0.056 0.000 2.916 398 T HA 0.759 5.109 4.350 0.000 0.000 0.305 398 T C -0.305 174.436 174.700 0.067 0.000 1.119 398 T CA 0.573 62.693 62.100 0.034 0.000 1.008 398 T CB 1.256 70.135 68.868 0.018 0.000 1.129 398 T HN 1.253 nan 8.240 nan 0.000 0.480 399 G N 1.404 110.226 108.800 0.038 0.000 2.632 399 G HA2 0.421 4.381 3.960 0.000 0.000 0.224 399 G HA3 0.421 4.381 3.960 0.000 0.000 0.224 399 G C 0.429 175.377 174.900 0.080 0.000 1.341 399 G CA 0.217 45.350 45.100 0.056 0.000 0.880 399 G HN 2.529 nan 8.290 nan 0.000 0.566 400 G N -2.108 106.762 108.800 0.115 0.000 2.788 400 G HA2 0.588 4.548 3.960 0.000 0.000 0.686 400 G HA3 0.588 4.548 3.960 0.000 0.000 0.686 400 G C -0.124 174.815 174.900 0.065 0.000 1.147 400 G CA 0.839 46.026 45.100 0.145 0.000 0.755 400 G HN 3.005 nan 8.290 nan 0.000 0.634 401 A N 0.080 122.952 122.820 0.087 0.000 2.594 401 A HA 1.077 5.397 4.320 0.000 0.000 0.296 401 A C -0.232 177.395 177.584 0.072 0.000 1.056 401 A CA 0.327 52.398 52.037 0.058 0.000 0.693 401 A CB 1.476 20.518 19.000 0.069 0.000 1.278 401 A HN 2.558 nan 8.150 nan 0.000 0.408 402 V N -0.613 119.315 119.914 0.023 0.000 2.971 402 V HA 0.952 5.072 4.120 0.000 0.000 0.309 402 V C -0.173 175.919 176.094 -0.004 0.000 1.130 402 V CA -0.194 62.124 62.300 0.031 0.000 0.964 402 V CB 1.517 33.346 31.823 0.009 0.000 1.029 402 V HN 1.740 nan 8.190 nan 0.000 0.427 403 S N 3.360 119.080 115.700 0.034 0.000 2.509 403 S HA 0.863 5.333 4.470 0.000 0.000 0.297 403 S C -0.847 173.673 174.600 -0.135 0.000 1.118 403 S CA -0.708 57.464 58.200 -0.047 0.000 1.074 403 S CB 1.479 64.715 63.200 0.060 0.000 1.038 403 S HN 0.765 nan 8.310 nan 0.000 0.498 404 L N 3.728 124.750 121.223 -0.335 0.000 2.295 404 L HA 0.469 4.809 4.340 0.000 0.000 0.285 404 L C 0.071 176.652 176.870 -0.481 0.000 1.035 404 L CA -0.005 54.658 54.840 -0.294 0.000 0.806 404 L CB 0.782 42.588 42.059 -0.422 0.000 1.214 404 L HN 0.732 nan 8.230 nan 0.000 0.426 405 H N 1.347 120.556 119.070 0.231 0.000 2.589 405 H HA 0.264 4.820 4.556 0.000 0.000 0.351 405 H C -0.277 175.231 175.328 0.301 0.000 1.074 405 H CA -0.676 55.512 56.048 0.233 0.000 1.203 405 H CB 2.161 31.993 29.762 0.117 0.000 1.558 405 H HN 0.532 nan 8.280 nan 0.000 0.522 406 S N 1.184 117.052 115.700 0.280 0.000 2.554 406 S HA 0.228 4.698 4.470 0.000 0.000 0.290 406 S C 0.548 175.131 174.600 -0.028 0.000 1.309 406 S CA 0.438 58.611 58.200 -0.044 0.000 1.047 406 S CB 0.272 63.465 63.200 -0.011 0.000 0.828 406 S HN 0.810 nan 8.310 nan 0.000 0.509 407 A N 4.006 126.738 122.820 -0.145 0.000 2.905 407 A HA 0.864 5.184 4.320 0.000 0.000 0.193 407 A C 0.515 178.045 177.584 -0.089 0.000 1.268 407 A CA 0.136 52.143 52.037 -0.049 0.000 1.416 407 A CB -0.208 18.784 19.000 -0.014 0.000 1.753 407 A HN 1.028 nan 8.150 nan 0.000 0.583 408 G N -1.434 107.289 108.800 -0.128 0.000 2.667 408 G HA2 0.565 4.525 3.960 0.000 0.000 0.310 408 G HA3 0.565 4.525 3.960 0.000 0.000 0.310 408 G C -1.423 173.376 174.900 -0.168 0.000 1.259 408 G CA -0.302 44.727 45.100 -0.118 0.000 1.019 408 G HN 1.002 nan 8.290 nan 0.000 0.496 409 V N -0.411 119.388 119.914 -0.192 0.000 2.686 409 V HA 0.600 4.720 4.120 0.000 0.000 0.306 409 V C -0.338 175.607 176.094 -0.248 0.000 1.065 409 V CA -0.680 61.412 62.300 -0.345 0.000 0.894 409 V CB 1.830 33.395 31.823 -0.430 0.000 1.004 409 V HN 0.774 nan 8.190 nan 0.000 0.424 410 T N 5.155 119.550 114.554 -0.266 0.000 2.829 410 T HA 0.640 4.990 4.350 0.000 0.000 0.280 410 T C -0.726 173.886 174.700 -0.147 0.000 0.999 410 T CA -0.329 61.673 62.100 -0.163 0.000 0.983 410 T CB 1.617 70.410 68.868 -0.124 0.000 0.968 410 T HN 0.538 nan 8.240 nan 0.000 0.446 411 L N 2.791 123.964 121.223 -0.084 0.000 2.289 411 L HA 0.723 5.063 4.340 0.000 0.000 0.285 411 L C -0.374 176.477 176.870 -0.031 0.000 1.049 411 L CA 0.261 55.075 54.840 -0.042 0.000 0.804 411 L CB 1.323 43.376 42.059 -0.009 0.000 1.195 411 L HN 0.528 nan 8.230 nan 0.000 0.428 412 S N 2.461 118.145 115.700 -0.025 0.000 2.500 412 S HA 0.710 5.180 4.470 0.000 0.000 0.301 412 S C -0.745 173.802 174.600 -0.088 0.000 1.092 412 S CA -0.518 57.656 58.200 -0.045 0.000 1.030 412 S CB 1.626 64.803 63.200 -0.039 0.000 1.031 412 S HN 0.726 nan 8.310 nan 0.000 0.483 413 T N 2.938 117.399 114.554 -0.155 0.000 2.847 413 T HA 0.334 4.684 4.350 0.000 0.000 0.291 413 T C -0.699 173.686 174.700 -0.525 0.000 0.998 413 T CA -0.486 61.396 62.100 -0.363 0.000 0.967 413 T CB 1.232 69.829 68.868 -0.452 0.000 0.954 413 T HN 0.555 nan 8.240 nan 0.000 0.441 414 Q N 3.254 122.787 119.800 -0.445 0.000 2.274 414 Q HA 0.461 4.801 4.340 0.000 0.000 0.256 414 Q C -1.379 174.360 176.000 -0.434 0.000 0.927 414 Q CA -0.530 55.077 55.803 -0.326 0.000 0.939 414 Q CB 0.459 29.091 28.738 -0.176 0.000 1.201 414 Q HN 0.520 nan 8.270 nan 0.000 0.426 415 F N 2.115 122.046 119.950 -0.032 0.000 2.411 415 F HA 0.368 4.895 4.527 0.000 0.000 0.352 415 F C -0.089 175.692 175.800 -0.032 0.000 1.123 415 F CA -0.525 57.455 58.000 -0.033 0.000 1.044 415 F CB 2.098 41.075 39.000 -0.038 0.000 1.135 415 F HN 0.283 nan 8.300 nan 0.000 0.461 416 T N 2.765 117.397 114.554 0.129 0.000 2.906 416 T HA 0.316 4.666 4.350 0.000 0.000 0.302 416 T C -0.251 174.506 174.700 0.095 0.000 1.002 416 T CA -0.723 61.424 62.100 0.078 0.000 0.988 416 T CB 1.336 70.222 68.868 0.030 0.000 0.972 416 T HN 0.719 nan 8.240 nan 0.000 0.447 417 D N 1.056 121.506 120.400 0.083 0.000 4.356 417 D HA -0.250 4.390 4.640 0.000 0.000 0.223 417 D C 0.472 176.839 176.300 0.112 0.000 1.133 417 D CA 2.279 56.346 54.000 0.112 0.000 2.270 417 D CB -0.694 40.207 40.800 0.168 0.000 1.185 417 D HN 0.569 nan 8.370 nan 0.000 0.408 418 F N -1.169 118.810 119.950 0.047 0.000 2.557 418 F HA 0.327 4.854 4.527 0.000 0.000 0.300 418 F C 0.414 176.264 175.800 0.083 0.000 0.867 418 F CA -0.064 57.968 58.000 0.054 0.000 1.085 418 F CB 0.996 40.015 39.000 0.032 0.000 0.907 418 F HN -0.086 nan 8.300 nan 0.000 0.700 419 V N 0.683 120.729 119.914 0.221 0.000 3.109 419 V HA 0.459 4.579 4.120 0.000 0.000 0.317 419 V C -0.151 175.982 176.094 0.064 0.000 1.074 419 V CA -0.538 61.837 62.300 0.125 0.000 1.033 419 V CB 1.626 33.469 31.823 0.034 0.000 1.111 419 V HN 0.199 nan 8.190 nan 0.000 0.458 420 S N 1.874 117.554 115.700 -0.034 0.000 2.519 420 S HA 0.678 5.148 4.470 0.000 0.000 0.309 420 S C -1.048 173.384 174.600 -0.279 0.000 1.100 420 S CA -0.581 57.485 58.200 -0.224 0.000 1.059 420 S CB 1.435 64.456 63.200 -0.299 0.000 1.008 420 S HN 0.532 nan 8.310 nan 0.000 0.478 421 L N 3.781 124.822 121.223 -0.303 0.000 2.272 421 L HA 0.483 4.823 4.340 0.000 0.000 0.284 421 L C -0.617 176.126 176.870 -0.211 0.000 1.045 421 L CA -0.233 54.448 54.840 -0.266 0.000 0.842 421 L CB 0.258 42.186 42.059 -0.218 0.000 1.224 421 L HN 0.697 nan 8.230 nan 0.000 0.430 422 N N 2.589 121.190 118.700 -0.165 0.000 2.530 422 N HA 0.411 5.151 4.740 0.000 0.000 0.277 422 N C -0.601 174.923 175.510 0.023 0.000 1.168 422 N CA -0.053 52.950 53.050 -0.078 0.000 0.979 422 N CB 1.664 40.120 38.487 -0.052 0.000 1.141 422 N HN 0.611 nan 8.380 nan 0.000 0.459 423 S N 0.953 116.685 115.700 0.053 0.000 2.565 423 S HA 0.584 5.054 4.470 0.000 0.000 0.269 423 S C -1.709 173.002 174.600 0.185 0.000 1.153 423 S CA -0.776 57.498 58.200 0.123 0.000 0.835 423 S CB 0.653 63.922 63.200 0.115 0.000 1.122 423 S HN 0.338 nan 8.310 nan 0.000 0.462 424 L N 2.600 124.046 121.223 0.372 0.000 2.346 424 L HA 0.683 5.023 4.340 0.000 0.000 0.274 424 L C -0.053 176.818 176.870 0.001 0.000 1.007 424 L CA -0.747 54.159 54.840 0.109 0.000 0.818 424 L CB 1.989 44.024 42.059 -0.039 0.000 1.284 424 L HN 0.721 nan 8.230 nan 0.000 0.424 425 R N 2.471 122.852 120.500 -0.199 0.000 2.360 425 R HA 0.542 4.882 4.340 0.000 0.000 0.318 425 R C -1.557 174.594 176.300 -0.248 0.000 0.950 425 R CA -0.399 55.648 56.100 -0.088 0.000 0.837 425 R CB 0.875 31.152 30.300 -0.039 0.000 1.165 425 R HN 0.324 nan 8.270 nan 0.000 0.458 426 F N 2.449 122.407 119.950 0.014 0.000 2.399 426 F HA 0.509 5.036 4.527 0.000 0.000 0.328 426 F C 0.593 176.338 175.800 -0.091 0.000 1.084 426 F CA -0.658 57.267 58.000 -0.126 0.000 1.053 426 F CB 1.431 40.301 39.000 -0.216 0.000 1.209 426 F HN 0.335 nan 8.300 nan 0.000 0.502 427 R N 2.625 123.052 120.500 -0.121 0.000 2.539 427 R HA 0.408 4.748 4.340 0.000 0.000 0.295 427 R C -2.192 173.958 176.300 -0.250 0.000 1.138 427 R CA -0.442 55.483 56.100 -0.292 0.000 0.936 427 R CB 0.539 30.586 30.300 -0.421 0.000 1.182 427 R HN 0.554 nan 8.270 nan 0.000 0.459 428 F N 4.263 124.161 119.950 -0.086 0.000 2.408 428 F HA 0.418 4.945 4.527 0.000 0.000 0.344 428 F C 0.948 176.816 175.800 0.114 0.000 1.112 428 F CA -0.520 57.483 58.000 0.005 0.000 1.096 428 F CB 1.267 40.208 39.000 -0.099 0.000 1.129 428 F HN 0.403 nan 8.300 nan 0.000 0.486 429 R N 3.733 124.427 120.500 0.323 0.000 2.531 429 R HA 0.736 5.076 4.340 0.000 0.000 0.273 429 R C -1.509 174.874 176.300 0.139 0.000 1.070 429 R CA -0.579 55.588 56.100 0.111 0.000 1.112 429 R CB 0.760 31.083 30.300 0.039 0.000 1.049 429 R HN 0.682 nan 8.270 nan 0.000 0.508 430 L N 1.191 122.434 121.223 0.032 0.000 2.333 430 L HA 0.522 4.862 4.340 0.000 0.000 0.269 430 L C -0.411 176.513 176.870 0.090 0.000 1.010 430 L CA -1.069 53.825 54.840 0.090 0.000 0.818 430 L CB 2.505 44.576 42.059 0.020 0.000 1.306 430 L HN 0.751 nan 8.230 nan 0.000 0.430 431 T N 1.047 115.688 114.554 0.144 0.000 2.841 431 T HA 0.403 4.753 4.350 0.000 0.000 0.285 431 T C -0.317 174.439 174.700 0.093 0.000 0.991 431 T CA -0.544 61.610 62.100 0.090 0.000 0.966 431 T CB 1.906 70.830 68.868 0.093 0.000 0.962 431 T HN 0.419 nan 8.240 nan 0.000 0.438 432 V N 1.442 121.401 119.914 0.075 0.000 2.715 432 V HA 0.643 4.763 4.120 0.000 0.000 0.299 432 V C -0.066 176.106 176.094 0.129 0.000 1.054 432 V CA -0.325 62.051 62.300 0.127 0.000 1.077 432 V CB 0.737 32.667 31.823 0.179 0.000 0.972 432 V HN 0.754 nan 8.190 nan 0.000 0.484 433 E N 1.490 121.800 120.200 0.184 0.000 2.423 433 E HA 0.493 4.843 4.350 0.000 0.000 0.269 433 E C -0.947 175.800 176.600 0.245 0.000 0.948 433 E CA -0.933 55.567 56.400 0.167 0.000 0.802 433 E CB 1.595 31.362 29.700 0.111 0.000 1.339 433 E HN 0.789 nan 8.360 nan 0.000 0.445 434 E N 2.133 122.452 120.200 0.198 0.000 2.343 434 E HA 0.304 4.654 4.350 0.000 0.000 0.269 434 E C -1.956 174.704 176.600 0.100 0.000 1.047 434 E CA -1.587 54.922 56.400 0.181 0.000 0.874 434 E CB 0.411 30.196 29.700 0.142 0.000 1.033 434 E HN 0.211 nan 8.360 nan 0.000 0.409 435 P HA 0.102 nan 4.420 nan 0.000 0.284 435 P C -0.350 176.915 177.300 -0.059 0.000 1.258 435 P CA -0.462 62.650 63.100 0.020 0.000 0.824 435 P CB 0.957 32.661 31.700 0.006 0.000 1.038 436 S N 1.604 117.139 115.700 -0.275 0.000 2.606 436 S HA 0.466 4.936 4.470 0.000 0.000 0.257 436 S C 0.190 174.666 174.600 -0.207 0.000 1.327 436 S CA -0.448 57.388 58.200 -0.606 0.000 0.984 436 S CB -0.229 62.352 63.200 -1.031 0.000 0.941 436 S HN 0.481 nan 8.310 nan 0.000 0.576 437 F N -0.870 118.936 119.950 -0.239 0.000 2.541 437 F HA 0.899 5.426 4.527 0.000 0.000 0.331 437 F C -0.112 175.631 175.800 -0.094 0.000 1.057 437 F CA -0.634 57.289 58.000 -0.129 0.000 0.975 437 F CB 1.356 40.300 39.000 -0.093 0.000 1.246 437 F HN 0.897 nan 8.300 nan 0.000 0.484 438 S N 0.726 116.510 115.700 0.140 0.000 2.643 438 S HA 0.741 5.211 4.470 0.000 0.000 0.270 438 S C -1.494 173.161 174.600 0.091 0.000 1.166 438 S CA -1.013 57.205 58.200 0.030 0.000 0.815 438 S CB 1.445 64.615 63.200 -0.049 0.000 1.139 438 S HN 0.773 nan 8.310 nan 0.000 0.472 439 I N 2.446 123.017 120.570 0.001 0.000 2.411 439 I HA 0.327 4.497 4.170 0.000 0.000 0.284 439 I C 0.601 176.666 176.117 -0.087 0.000 1.012 439 I CA -0.564 60.705 61.300 -0.053 0.000 1.119 439 I CB 1.920 39.810 38.000 -0.183 0.000 1.261 439 I HN 0.929 nan 8.210 nan 0.000 0.448 440 T N 2.581 117.105 114.554 -0.050 0.000 2.906 440 T HA 0.191 4.541 4.350 0.000 0.000 0.320 440 T C 0.904 175.559 174.700 -0.075 0.000 1.088 440 T CA -0.082 61.988 62.100 -0.050 0.000 1.120 440 T CB 0.561 69.411 68.868 -0.029 0.000 1.000 440 T HN 0.816 nan 8.240 nan 0.000 0.550 441 R N -1.260 119.211 120.500 -0.048 0.000 3.951 441 R HA -0.155 4.185 4.340 0.000 0.000 0.352 441 R C 0.315 176.601 176.300 -0.024 0.000 1.178 441 R CA 1.147 57.229 56.100 -0.030 0.000 0.949 441 R CB -2.998 27.282 30.300 -0.033 0.000 1.452 441 R HN 1.146 nan 8.270 nan 0.000 0.540 442 T N -3.751 110.765 114.554 -0.063 0.000 2.778 442 T HA 0.483 4.833 4.350 0.000 0.000 0.293 442 T C 0.763 175.458 174.700 -0.008 0.000 1.144 442 T CA -0.686 61.373 62.100 -0.068 0.000 1.010 442 T CB 1.830 70.419 68.868 -0.465 0.000 1.325 442 T HN 0.277 nan 8.240 nan 0.000 0.515 443 R N 0.023 120.575 120.500 0.086 0.000 2.299 443 R HA 0.324 4.664 4.340 0.000 0.000 0.197 443 R C -0.009 176.331 176.300 0.067 0.000 0.971 443 R CA -0.170 55.986 56.100 0.094 0.000 1.030 443 R CB -0.504 29.884 30.300 0.147 0.000 0.932 443 R HN 0.356 nan 8.270 nan 0.000 0.477 444 V N 2.869 122.801 119.914 0.031 0.000 2.397 444 V HA 0.131 4.251 4.120 0.000 0.000 0.262 444 V C 0.091 176.167 176.094 -0.029 0.000 1.047 444 V CA 0.131 62.452 62.300 0.035 0.000 1.003 444 V CB 0.355 32.207 31.823 0.049 0.000 1.037 444 V HN 0.524 nan 8.190 nan 0.000 0.480 445 S N 4.773 120.440 115.700 -0.054 0.000 2.556 445 S HA 0.681 5.151 4.470 0.000 0.000 0.271 445 S C -0.169 174.332 174.600 -0.164 0.000 1.135 445 S CA -1.086 57.050 58.200 -0.106 0.000 0.858 445 S CB 1.798 64.961 63.200 -0.062 0.000 1.114 445 S HN 0.713 nan 8.310 nan 0.000 0.468 446 R N 0.399 120.757 120.500 -0.236 0.000 3.333 446 R HA -0.129 4.211 4.340 0.000 0.000 0.256 446 R C -0.822 175.245 176.300 -0.388 0.000 1.010 446 R CA 0.614 56.533 56.100 -0.301 0.000 0.680 446 R CB -2.233 27.994 30.300 -0.121 0.000 1.102 446 R HN 0.660 nan 8.270 nan 0.000 0.440 447 L N 0.538 121.367 121.223 -0.657 0.000 2.343 447 L HA 0.470 4.810 4.340 0.000 0.000 0.275 447 L C 0.193 176.658 176.870 -0.675 0.000 1.056 447 L CA -0.804 53.669 54.840 -0.612 0.000 0.804 447 L CB 0.813 42.311 42.059 -0.935 0.000 1.203 447 L HN -0.024 nan 8.230 nan 0.000 0.440 448 Y N 0.661 120.920 120.300 -0.068 0.000 2.341 448 Y HA 0.705 5.255 4.550 0.000 0.000 0.337 448 Y C 0.686 176.727 175.900 0.234 0.000 1.014 448 Y CA -0.157 57.997 58.100 0.091 0.000 1.111 448 Y CB 2.042 40.539 38.460 0.062 0.000 1.194 448 Y HN 0.707 nan 8.280 nan 0.000 0.462 449 G N 1.661 110.691 108.800 0.384 0.000 2.369 449 G HA2 0.226 4.186 3.960 0.000 0.000 0.307 449 G HA3 0.226 4.186 3.960 0.000 0.000 0.307 449 G C -2.680 172.316 174.900 0.161 0.000 1.327 449 G CA -1.220 44.035 45.100 0.258 0.000 0.963 449 G HN 0.529 nan 8.290 nan 0.000 0.590 450 L N 1.545 122.768 121.223 0.000 0.000 2.294 450 L HA 0.733 5.073 4.340 0.000 0.000 0.283 450 L C -2.290 174.466 176.870 -0.190 0.000 1.015 450 L CA -1.965 52.813 54.840 -0.103 0.000 0.831 450 L CB 1.654 43.652 42.059 -0.102 0.000 1.217 450 L HN 0.341 nan 8.230 nan 0.000 0.420 451 P HA 0.243 nan 4.420 nan 0.000 0.274 451 P C -0.352 176.646 177.300 -0.505 0.000 1.246 451 P CA -0.291 62.497 63.100 -0.520 0.000 0.795 451 P CB 0.903 32.148 31.700 -0.760 0.000 1.006 452 A N 1.124 123.496 122.820 -0.747 0.000 2.238 452 A HA 0.176 4.496 4.320 0.000 0.000 0.208 452 A C 1.906 179.090 177.584 -0.667 0.000 1.177 452 A CA 1.167 52.486 52.037 -1.197 0.000 0.804 452 A CB -1.395 16.776 19.000 -1.382 0.000 0.823 452 A HN 0.514 nan 8.150 nan 0.000 0.482 453 A N 0.272 122.782 122.820 -0.518 0.000 1.877 453 A HA -0.103 4.218 4.320 0.000 0.000 0.216 453 A C 1.250 178.611 177.584 -0.372 0.000 1.186 453 A CA 1.734 53.456 52.037 -0.524 0.000 0.620 453 A CB -0.189 18.529 19.000 -0.471 0.000 0.822 453 A HN 0.499 nan 8.150 nan 0.000 0.443 454 N N -1.844 116.715 118.700 -0.234 0.000 2.679 454 N HA 0.153 4.893 4.740 0.000 0.000 0.240 454 N C -2.449 173.016 175.510 -0.073 0.000 1.537 454 N CA -1.034 51.958 53.050 -0.098 0.000 0.793 454 N CB 0.924 39.400 38.487 -0.018 0.000 1.391 454 N HN 0.045 nan 8.380 nan 0.000 0.524 455 P HA -0.014 nan 4.420 nan 0.000 0.226 455 P C 0.293 177.713 177.300 0.200 0.000 1.153 455 P CA 0.845 63.914 63.100 -0.051 0.000 0.777 455 P CB 0.514 32.073 31.700 -0.235 0.000 0.794 456 N N -0.281 118.540 118.700 0.201 0.000 2.422 456 N HA -0.047 4.693 4.740 0.000 0.000 0.181 456 N C 0.574 176.070 175.510 -0.023 0.000 1.080 456 N CA 0.222 53.362 53.050 0.149 0.000 0.893 456 N CB -1.082 37.429 38.487 0.040 0.000 0.973 456 N HN 0.016 nan 8.380 nan 0.000 0.456 457 N N 0.828 119.532 118.700 0.007 0.000 2.714 457 N HA -0.215 4.525 4.740 0.000 0.000 0.252 457 N C 0.786 176.244 175.510 -0.086 0.000 1.014 457 N CA 1.083 54.116 53.050 -0.029 0.000 0.735 457 N CB -1.461 37.027 38.487 0.002 0.000 0.924 457 N HN 0.506 nan 8.380 nan 0.000 0.540 458 G N -1.313 107.433 108.800 -0.089 0.000 2.196 458 G HA2 -0.381 3.579 3.960 0.000 0.000 0.268 458 G HA3 -0.381 3.579 3.960 0.000 0.000 0.268 458 G C 0.190 174.980 174.900 -0.183 0.000 0.975 458 G CA 1.014 46.047 45.100 -0.111 0.000 0.648 458 G HN 0.661 nan 8.290 nan 0.000 0.538 459 K N -0.075 120.159 120.400 -0.277 0.000 2.185 459 K HA 0.374 4.694 4.320 0.000 0.000 0.271 459 K C 1.119 177.462 176.600 -0.427 0.000 1.013 459 K CA 0.035 56.064 56.287 -0.429 0.000 0.943 459 K CB 1.124 33.219 32.500 -0.675 0.000 0.998 459 K HN 0.143 nan 8.250 nan 0.000 0.468 460 E N 1.911 121.834 120.200 -0.462 0.000 2.208 460 E HA -0.122 4.228 4.350 0.000 0.000 0.193 460 E C -0.619 175.702 176.600 -0.464 0.000 0.988 460 E CA 1.329 57.523 56.400 -0.345 0.000 0.828 460 E CB 0.128 29.705 29.700 -0.205 0.000 0.763 460 E HN 0.490 nan 8.360 nan 0.000 0.478 461 Y N -4.247 115.671 120.300 -0.637 0.000 2.702 461 Y HA 0.493 5.043 4.550 0.000 0.000 0.336 461 Y C -1.642 173.734 175.900 -0.872 0.000 1.203 461 Y CA -1.800 55.792 58.100 -0.845 0.000 1.072 461 Y CB 0.180 37.998 38.460 -1.070 0.000 1.327 461 Y HN -0.236 nan 8.280 nan 0.000 0.456 462 Y N 1.155 121.077 120.300 -0.630 0.000 2.457 462 Y HA 0.619 5.169 4.550 0.000 0.000 0.333 462 Y C 0.196 175.746 175.900 -0.584 0.000 1.119 462 Y CA -0.749 56.926 58.100 -0.708 0.000 1.143 462 Y CB 2.060 39.866 38.460 -1.089 0.000 1.230 462 Y HN 0.807 nan 8.280 nan 0.000 0.469 463 E N 0.428 120.552 120.200 -0.126 0.000 2.393 463 E HA 0.878 5.228 4.350 0.000 0.000 0.265 463 E C -2.005 174.579 176.600 -0.027 0.000 0.941 463 E CA -0.854 55.500 56.400 -0.078 0.000 0.801 463 E CB 2.168 31.866 29.700 -0.002 0.000 1.313 463 E HN 0.400 nan 8.360 nan 0.000 0.435 464 V N 0.845 120.739 119.914 -0.033 0.000 2.839 464 V HA 0.572 4.692 4.120 0.000 0.000 0.284 464 V C -1.273 174.793 176.094 -0.047 0.000 1.397 464 V CA -0.368 61.924 62.300 -0.013 0.000 0.938 464 V CB 1.262 33.103 31.823 0.031 0.000 1.112 464 V HN 0.821 nan 8.190 nan 0.000 0.443 465 A N 2.878 125.670 122.820 -0.046 0.000 2.423 465 A HA 1.103 5.423 4.320 0.000 0.000 0.304 465 A C 0.244 177.827 177.584 -0.002 0.000 1.104 465 A CA 0.079 52.075 52.037 -0.068 0.000 0.757 465 A CB 2.240 21.153 19.000 -0.145 0.000 1.313 465 A HN 2.039 nan 8.150 nan 0.000 0.423 466 G N 0.205 109.019 108.800 0.024 0.000 2.498 466 G HA2 0.507 4.467 3.960 0.000 0.000 0.181 466 G HA3 0.507 4.467 3.960 0.000 0.000 0.181 466 G C -1.376 173.582 174.900 0.097 0.000 1.169 466 G CA -0.714 44.423 45.100 0.062 0.000 0.992 466 G HN 0.804 nan 8.290 nan 0.000 0.490 467 R N -0.950 119.623 120.500 0.121 0.000 2.808 467 R HA 0.702 5.042 4.340 0.000 0.000 0.272 467 R C -1.494 174.946 176.300 0.233 0.000 0.995 467 R CA -0.723 55.454 56.100 0.128 0.000 0.917 467 R CB 2.273 32.602 30.300 0.047 0.000 1.217 467 R HN 0.763 nan 8.270 nan 0.000 0.471 468 F N -1.225 118.749 119.950 0.039 0.000 2.601 468 F HA 0.664 5.191 4.527 0.000 0.000 0.309 468 F C -0.872 174.956 175.800 0.046 0.000 1.089 468 F CA -0.919 57.110 58.000 0.048 0.000 0.940 468 F CB 2.008 41.045 39.000 0.062 0.000 1.273 468 F HN 0.448 nan 8.300 nan 0.000 0.450 469 S N 4.137 119.918 115.700 0.135 0.000 2.503 469 S HA 0.812 5.282 4.470 0.000 0.000 0.301 469 S C -1.325 173.371 174.600 0.160 0.000 1.087 469 S CA -0.743 57.480 58.200 0.039 0.000 1.042 469 S CB 1.885 65.108 63.200 0.037 0.000 1.043 469 S HN 1.132 nan 8.310 nan 0.000 0.489 470 L N 2.947 124.257 121.223 0.146 0.000 2.381 470 L HA 0.719 5.059 4.340 0.000 0.000 0.268 470 L C -1.740 175.250 176.870 0.200 0.000 0.997 470 L CA -1.159 53.808 54.840 0.211 0.000 0.818 470 L CB 1.392 43.608 42.059 0.261 0.000 1.310 470 L HN 0.817 nan 8.230 nan 0.000 0.416 471 I N 4.242 124.912 120.570 0.165 0.000 2.410 471 I HA 0.403 4.573 4.170 0.000 0.000 0.286 471 I C -0.075 176.145 176.117 0.172 0.000 1.009 471 I CA -0.091 61.289 61.300 0.135 0.000 1.111 471 I CB 1.843 39.887 38.000 0.074 0.000 1.262 471 I HN 0.776 nan 8.210 nan 0.000 0.443 472 S N 7.160 122.999 115.700 0.233 0.000 2.998 472 S HA 0.846 5.316 4.470 0.000 0.000 0.307 472 S C -0.796 173.958 174.600 0.258 0.000 1.063 472 S CA -0.789 57.567 58.200 0.260 0.000 0.895 472 S CB 2.062 65.454 63.200 0.318 0.000 1.362 472 S HN 0.456 nan 8.310 nan 0.000 0.657 473 L N 0.372 121.805 121.223 0.349 0.000 2.565 473 L HA 0.717 5.057 4.340 0.000 0.000 0.261 473 L C -1.333 175.925 176.870 0.647 0.000 0.932 473 L CA -0.561 54.511 54.840 0.386 0.000 0.878 473 L CB 1.937 44.120 42.059 0.207 0.000 1.333 473 L HN 0.623 nan 8.230 nan 0.000 0.409 474 V N 2.193 122.500 119.914 0.655 0.000 3.065 474 V HA 0.472 4.592 4.120 0.000 0.000 0.312 474 V C -2.120 174.219 176.094 0.409 0.000 1.412 474 V CA -0.686 62.029 62.300 0.692 0.000 1.039 474 V CB 3.012 35.091 31.823 0.426 0.000 1.077 474 V HN 0.643 nan 8.190 nan 0.000 0.473 475 P HA 0.040 nan 4.420 nan 0.000 0.257 475 P C 1.047 178.279 177.300 -0.112 0.000 1.241 475 P CA 0.827 63.745 63.100 -0.303 0.000 0.816 475 P CB 0.220 31.596 31.700 -0.540 0.000 1.150 476 S N -1.281 114.421 115.700 0.003 0.000 2.603 476 S HA -0.017 4.453 4.470 0.000 0.000 0.229 476 S C 1.665 176.293 174.600 0.046 0.000 0.972 476 S CA 0.287 58.505 58.200 0.030 0.000 0.935 476 S CB -1.187 62.068 63.200 0.091 0.000 0.769 476 S HN 0.023 nan 8.310 nan 0.000 0.536 477 N N 2.237 120.968 118.700 0.051 0.000 2.494 477 N HA -0.024 4.716 4.740 0.000 0.000 0.182 477 N C 0.069 175.591 175.510 0.020 0.000 1.076 477 N CA 0.567 53.644 53.050 0.045 0.000 0.908 477 N CB -0.172 38.350 38.487 0.058 0.000 0.967 477 N HN 0.680 nan 8.380 nan 0.000 0.449 478 D N 0.655 121.046 120.400 -0.014 0.000 2.302 478 D HA 0.044 4.684 4.640 0.000 0.000 0.248 478 D C 0.356 176.662 176.300 0.010 0.000 1.094 478 D CA 0.051 54.041 54.000 -0.018 0.000 0.897 478 D CB 1.393 42.142 40.800 -0.084 0.000 1.200 478 D HN 0.143 nan 8.370 nan 0.000 0.429 479 D N 1.449 121.881 120.400 0.053 0.000 1.996 479 D HA -0.135 4.505 4.640 0.000 0.000 0.613 479 D C 0.902 177.233 176.300 0.053 0.000 0.806 479 D CA -0.219 53.806 54.000 0.042 0.000 1.127 479 D CB -1.381 39.439 40.800 0.034 0.000 1.417 479 D HN 0.370 nan 8.370 nan 0.000 0.450 480 Y N 1.475 121.763 120.300 -0.020 0.000 2.483 480 Y HA 0.038 4.588 4.550 0.000 0.000 0.291 480 Y C 1.854 177.751 175.900 -0.004 0.000 1.143 480 Y CA 1.772 59.865 58.100 -0.013 0.000 1.289 480 Y CB 0.239 38.688 38.460 -0.019 0.000 0.983 480 Y HN 0.184 nan 8.280 nan 0.000 0.556 481 Q N 0.981 120.856 119.800 0.125 0.000 2.237 481 Q HA 0.109 4.449 4.340 0.000 0.000 0.252 481 Q C -0.047 175.980 176.000 0.045 0.000 0.877 481 Q CA -0.219 55.640 55.803 0.093 0.000 1.011 481 Q CB -0.028 28.762 28.738 0.088 0.000 1.118 481 Q HN 0.325 nan 8.270 nan 0.000 0.458 482 T N -1.780 112.782 114.554 0.013 0.000 2.849 482 T HA 0.536 4.886 4.350 0.000 0.000 0.276 482 T C -2.164 172.528 174.700 -0.015 0.000 0.971 482 T CA -1.537 60.558 62.100 -0.009 0.000 0.949 482 T CB 0.629 69.479 68.868 -0.029 0.000 1.093 482 T HN 0.144 nan 8.240 nan 0.000 0.545 483 P HA 0.241 nan 4.420 nan 0.000 0.268 483 P C -0.183 177.105 177.300 -0.020 0.000 1.204 483 P CA -0.546 62.545 63.100 -0.014 0.000 0.768 483 P CB 0.287 31.979 31.700 -0.014 0.000 0.842 484 I N 2.741 123.304 120.570 -0.012 0.000 2.683 484 I HA -0.106 4.064 4.170 0.000 0.000 0.286 484 I C 0.153 176.261 176.117 -0.014 0.000 1.175 484 I CA 0.801 62.094 61.300 -0.012 0.000 1.429 484 I CB -0.228 37.769 38.000 -0.005 0.000 1.371 484 I HN 0.616 nan 8.210 nan 0.000 0.569 485 T N 3.546 118.090 114.554 -0.018 0.000 4.290 485 T HA -0.230 4.120 4.350 0.000 0.000 0.334 485 T C 0.189 174.877 174.700 -0.019 0.000 0.761 485 T CA 1.018 63.108 62.100 -0.017 0.000 1.950 485 T CB -1.829 67.033 68.868 -0.011 0.000 1.898 485 T HN 0.806 nan 8.240 nan 0.000 0.906 486 N N 2.171 120.855 118.700 -0.027 0.000 3.178 486 N HA 0.334 5.074 4.740 0.000 0.000 0.300 486 N C -0.135 175.359 175.510 -0.027 0.000 1.242 486 N CA 0.149 53.182 53.050 -0.027 0.000 1.192 486 N CB 0.105 38.571 38.487 -0.034 0.000 1.463 486 N HN 0.564 nan 8.380 nan 0.000 0.539 487 S N -0.149 115.538 115.700 -0.020 0.000 2.500 487 S HA 0.301 4.771 4.470 0.000 0.000 0.301 487 S C 0.798 175.391 174.600 -0.013 0.000 1.092 487 S CA -0.855 57.335 58.200 -0.018 0.000 1.030 487 S CB 1.534 64.725 63.200 -0.016 0.000 1.031 487 S HN 0.059 nan 8.310 nan 0.000 0.483 488 V N 2.070 121.977 119.914 -0.011 0.000 2.216 488 V HA 0.056 4.176 4.120 0.000 0.000 0.243 488 V C 1.003 177.093 176.094 -0.006 0.000 1.044 488 V CA 2.534 64.829 62.300 -0.008 0.000 0.995 488 V CB -0.183 31.636 31.823 -0.007 0.000 0.633 488 V HN 1.061 nan 8.190 nan 0.000 0.446 489 T N -0.494 114.056 114.554 -0.006 0.000 2.848 489 T HA 0.443 4.793 4.350 0.000 0.000 0.285 489 T C -0.885 173.813 174.700 -0.004 0.000 0.995 489 T CA -0.035 62.062 62.100 -0.004 0.000 0.970 489 T CB 1.347 70.213 68.868 -0.003 0.000 0.976 489 T HN 0.355 nan 8.240 nan 0.000 0.441 490 V N 5.677 125.589 119.914 -0.003 0.000 2.953 490 V HA 0.214 4.334 4.120 0.000 0.000 0.304 490 V C 0.940 177.033 176.094 -0.001 0.000 1.138 490 V CA 0.216 62.514 62.300 -0.002 0.000 1.266 490 V CB 0.320 32.142 31.823 -0.001 0.000 0.923 490 V HN 0.943 nan 8.190 nan 0.000 0.505 491 R N 4.875 125.374 120.500 -0.001 0.000 2.594 491 R HA 0.274 4.614 4.340 0.000 0.000 0.272 491 R C -0.322 175.979 176.300 0.002 0.000 1.074 491 R CA -0.414 55.686 56.100 0.000 0.000 1.105 491 R CB 0.512 30.813 30.300 0.001 0.000 1.008 491 R HN 0.876 nan 8.270 nan 0.000 0.472 492 Q N 2.960 122.761 119.800 0.002 0.000 2.394 492 Q HA 0.229 4.569 4.340 0.000 0.000 0.261 492 Q C -1.801 174.202 176.000 0.004 0.000 1.023 492 Q CA -0.916 54.889 55.803 0.003 0.000 0.720 492 Q CB 1.836 30.575 28.738 0.003 0.000 1.241 492 Q HN 0.500 nan 8.270 nan 0.000 0.483 493 D N 4.459 124.863 120.400 0.006 0.000 2.414 493 D HA 0.351 4.991 4.640 0.000 0.000 0.232 493 D C 0.387 176.692 176.300 0.008 0.000 1.070 493 D CA -0.524 53.480 54.000 0.007 0.000 0.839 493 D CB 1.299 42.104 40.800 0.008 0.000 1.079 493 D HN 0.444 nan 8.370 nan 0.000 0.521 494 L N 1.563 122.791 121.223 0.008 0.000 2.506 494 L HA 0.041 4.381 4.340 0.000 0.000 0.281 494 L C 1.328 178.205 176.870 0.012 0.000 1.228 494 L CA 0.415 55.261 54.840 0.009 0.000 0.850 494 L CB 0.223 42.287 42.059 0.008 0.000 1.110 494 L HN 0.507 nan 8.230 nan 0.000 0.496 495 E N 3.112 123.320 120.200 0.013 0.000 2.264 495 E HA 0.470 4.820 4.350 0.000 0.000 0.260 495 E C -1.090 175.522 176.600 0.019 0.000 0.961 495 E CA -1.191 55.219 56.400 0.017 0.000 0.834 495 E CB 1.225 30.935 29.700 0.017 0.000 1.230 495 E HN 0.365 nan 8.360 nan 0.000 0.412 496 R N 2.001 122.516 120.500 0.025 0.000 2.340 496 R HA 0.191 4.531 4.340 0.000 0.000 0.300 496 R C -0.031 176.283 176.300 0.024 0.000 1.069 496 R CA -0.682 55.435 56.100 0.029 0.000 0.984 496 R CB -0.060 30.265 30.300 0.043 0.000 1.003 496 R HN 0.536 nan 8.270 nan 0.000 0.459 497 Q N 2.222 122.034 119.800 0.019 0.000 2.392 497 Q HA 0.064 4.404 4.340 0.000 0.000 0.262 497 Q C 1.679 177.685 176.000 0.009 0.000 1.003 497 Q CA -0.024 55.786 55.803 0.012 0.000 0.888 497 Q CB 0.656 29.401 28.738 0.011 0.000 1.260 497 Q HN 0.579 nan 8.270 nan 0.000 0.435 498 L N 1.058 122.279 121.223 -0.003 0.000 1.956 498 L HA -0.264 4.076 4.340 0.000 0.000 0.216 498 L C 2.077 178.938 176.870 -0.014 0.000 1.073 498 L CA 1.883 56.713 54.840 -0.017 0.000 0.762 498 L CB -1.020 41.023 42.059 -0.025 0.000 0.889 498 L HN 0.874 nan 8.230 nan 0.000 0.433 499 G N -0.522 108.275 108.800 -0.005 0.000 2.476 499 G HA2 -0.362 3.598 3.960 0.000 0.000 0.218 499 G HA3 -0.362 3.598 3.960 0.000 0.000 0.218 499 G C 1.256 176.167 174.900 0.019 0.000 1.164 499 G CA 1.216 46.318 45.100 0.003 0.000 0.768 499 G HN 0.452 nan 8.290 nan 0.000 0.560 500 E N 0.524 120.739 120.200 0.025 0.000 1.963 500 E HA -0.205 4.145 4.350 0.000 0.000 0.215 500 E C 2.420 179.061 176.600 0.069 0.000 0.993 500 E CA 1.606 58.031 56.400 0.042 0.000 0.880 500 E CB -0.783 28.940 29.700 0.039 0.000 0.811 500 E HN 0.286 nan 8.360 nan 0.000 0.539 501 L N -0.043 121.233 121.223 0.088 0.000 2.223 501 L HA -0.446 3.894 4.340 0.000 0.000 0.230 501 L C 2.792 179.815 176.870 0.254 0.000 1.110 501 L CA 2.435 57.379 54.840 0.174 0.000 0.834 501 L CB -0.830 41.316 42.059 0.146 0.000 0.915 501 L HN 0.302 nan 8.230 nan 0.000 0.450 502 R N 0.039 120.602 120.500 0.106 0.000 2.132 502 R HA -0.244 4.096 4.340 0.000 0.000 0.233 502 R C 2.045 178.459 176.300 0.189 0.000 1.125 502 R CA 2.167 58.328 56.100 0.101 0.000 0.914 502 R CB -0.760 29.553 30.300 0.021 0.000 0.845 502 R HN 0.549 nan 8.270 nan 0.000 0.431 503 E N 0.582 120.854 120.200 0.120 0.000 2.324 503 E HA -0.281 4.069 4.350 0.000 0.000 0.205 503 E C 1.671 178.339 176.600 0.114 0.000 1.031 503 E CA 1.779 58.238 56.400 0.099 0.000 0.836 503 E CB -0.215 29.526 29.700 0.068 0.000 0.742 503 E HN 0.584 nan 8.360 nan 0.000 0.491 504 E N -0.222 120.073 120.200 0.158 0.000 2.166 504 E HA -0.011 4.339 4.350 0.000 0.000 0.192 504 E C 1.676 178.339 176.600 0.105 0.000 0.967 504 E CA 0.170 56.634 56.400 0.106 0.000 0.840 504 E CB -0.109 29.638 29.700 0.079 0.000 0.795 504 E HN 0.131 nan 8.360 nan 0.000 0.470 505 F N 2.612 122.584 119.950 0.036 0.000 2.091 505 F HA -0.264 4.263 4.527 0.000 0.000 0.299 505 F C 2.076 177.898 175.800 0.037 0.000 1.103 505 F CA 1.336 59.365 58.000 0.047 0.000 1.228 505 F CB -0.493 38.553 39.000 0.078 0.000 0.984 505 F HN 0.009 nan 8.300 nan 0.000 0.477 506 N N 0.635 119.474 118.700 0.232 0.000 2.000 506 N HA -0.252 4.488 4.740 0.000 0.000 0.198 506 N C 2.084 177.632 175.510 0.063 0.000 1.057 506 N CA 1.781 54.904 53.050 0.121 0.000 0.858 506 N CB -1.290 37.253 38.487 0.094 0.000 1.057 506 N HN 0.284 nan 8.380 nan 0.000 0.423 507 A N 1.260 124.109 122.820 0.049 0.000 1.927 507 A HA -0.161 4.159 4.320 0.000 0.000 0.220 507 A C 2.242 179.826 177.584 -0.000 0.000 1.185 507 A CA 1.424 53.474 52.037 0.020 0.000 0.639 507 A CB -0.894 18.116 19.000 0.017 0.000 0.820 507 A HN 0.263 nan 8.150 nan 0.000 0.451 508 L N -0.154 121.060 121.223 -0.016 0.000 2.353 508 L HA -0.060 4.280 4.340 0.000 0.000 0.220 508 L C 2.380 179.228 176.870 -0.036 0.000 1.133 508 L CA 2.070 56.878 54.840 -0.054 0.000 0.798 508 L CB -0.434 41.544 42.059 -0.136 0.000 0.922 508 L HN 0.316 nan 8.230 nan 0.000 0.445 509 S N -0.803 114.893 115.700 -0.007 0.000 2.377 509 S HA -0.193 4.277 4.470 0.000 0.000 0.223 509 S C 1.667 176.260 174.600 -0.011 0.000 1.030 509 S CA 0.921 59.119 58.200 -0.004 0.000 0.970 509 S CB -0.293 62.912 63.200 0.008 0.000 0.830 509 S HN 0.717 nan 8.310 nan 0.000 0.473 510 Q N 1.156 120.952 119.800 -0.007 0.000 2.534 510 Q HA -0.202 4.138 4.340 0.000 0.000 0.218 510 Q C 1.031 177.025 176.000 -0.011 0.000 0.989 510 Q CA 1.440 57.239 55.803 -0.008 0.000 0.903 510 Q CB -0.277 28.459 28.738 -0.004 0.000 0.942 510 Q HN 0.590 nan 8.270 nan 0.000 0.501 511 E N 0.226 120.418 120.200 -0.014 0.000 2.434 511 E HA 0.210 4.560 4.350 0.000 0.000 0.207 511 E C 0.147 176.738 176.600 -0.015 0.000 0.929 511 E CA -0.339 56.052 56.400 -0.015 0.000 1.001 511 E CB 0.383 30.072 29.700 -0.018 0.000 1.016 511 E HN 0.374 nan 8.360 nan 0.000 0.502 512 I N 2.672 123.232 120.570 -0.016 0.000 2.989 512 I HA -0.177 3.993 4.170 0.000 0.000 0.311 512 I C 1.040 177.150 176.117 -0.013 0.000 1.221 512 I CA -0.140 61.151 61.300 -0.015 0.000 1.449 512 I CB 0.141 38.132 38.000 -0.014 0.000 1.325 512 I HN 0.059 nan 8.210 nan 0.000 0.557 513 A N 7.299 130.113 122.820 -0.011 0.000 2.251 513 A HA 0.307 4.627 4.320 0.000 0.000 0.277 513 A C 1.040 178.618 177.584 -0.010 0.000 1.313 513 A CA 0.399 52.431 52.037 -0.009 0.000 0.813 513 A CB 0.331 19.327 19.000 -0.007 0.000 1.210 513 A HN 0.860 nan 8.150 nan 0.000 0.509 514 M N -2.375 117.220 119.600 -0.008 0.000 3.192 514 M HA 0.031 4.511 4.480 0.000 0.000 0.213 514 M C 2.281 178.576 176.300 -0.009 0.000 1.723 514 M CA 0.867 56.160 55.300 -0.010 0.000 1.408 514 M CB -0.606 31.989 32.600 -0.008 0.000 1.067 514 M HN 0.672 nan 8.290 nan 0.000 0.595 515 S N 1.161 116.859 115.700 -0.003 0.000 2.372 515 S HA -0.186 4.284 4.470 0.000 0.000 0.227 515 S C 1.805 176.404 174.600 -0.002 0.000 1.044 515 S CA 1.460 59.660 58.200 -0.001 0.000 1.050 515 S CB -0.564 62.639 63.200 0.004 0.000 0.901 515 S HN 0.387 nan 8.310 nan 0.000 0.447 516 Q N 0.684 120.482 119.800 -0.002 0.000 2.152 516 Q HA -0.087 4.253 4.340 0.000 0.000 0.206 516 Q C 2.173 178.172 176.000 -0.003 0.000 0.985 516 Q CA 0.923 56.725 55.803 -0.002 0.000 0.863 516 Q CB -0.973 27.764 28.738 -0.002 0.000 0.904 516 Q HN 0.462 nan 8.270 nan 0.000 0.422 517 L N 0.650 121.870 121.223 -0.006 0.000 1.961 517 L HA -0.111 4.229 4.340 0.000 0.000 0.209 517 L C 2.224 179.089 176.870 -0.009 0.000 1.075 517 L CA 1.363 56.199 54.840 -0.006 0.000 0.749 517 L CB -0.940 41.112 42.059 -0.011 0.000 0.890 517 L HN 0.139 nan 8.230 nan 0.000 0.433 518 I N 0.121 120.681 120.570 -0.016 0.000 2.253 518 I HA -0.509 3.661 4.170 0.000 0.000 0.234 518 I C 2.230 178.338 176.117 -0.015 0.000 0.978 518 I CA 2.025 63.312 61.300 -0.023 0.000 1.271 518 I CB -1.137 36.849 38.000 -0.024 0.000 0.978 518 I HN 0.428 nan 8.210 nan 0.000 0.394 519 D N 0.871 121.267 120.400 -0.007 0.000 2.230 519 D HA -0.227 4.413 4.640 0.000 0.000 0.189 519 D C 1.638 177.939 176.300 0.002 0.000 1.006 519 D CA 1.456 55.456 54.000 -0.001 0.000 0.853 519 D CB -0.646 40.156 40.800 0.003 0.000 0.959 519 D HN 0.208 nan 8.370 nan 0.000 0.449 520 L N 0.194 121.420 121.223 0.004 0.000 3.566 520 L HA 0.132 4.472 4.340 0.000 0.000 0.256 520 L C 0.486 177.361 176.870 0.010 0.000 1.404 520 L CA 0.231 55.076 54.840 0.010 0.000 1.080 520 L CB -0.967 41.098 42.059 0.010 0.000 1.522 520 L HN 0.059 nan 8.230 nan 0.000 0.430 521 A N 0.474 123.296 122.820 0.004 0.000 2.474 521 A HA 0.373 4.693 4.320 0.000 0.000 0.249 521 A C 0.470 178.052 177.584 -0.003 0.000 0.891 521 A CA -0.272 51.764 52.037 -0.001 0.000 1.135 521 A CB -0.155 18.835 19.000 -0.016 0.000 1.191 521 A HN 0.319 nan 8.150 nan 0.000 0.471 522 L N -0.301 120.925 121.223 0.004 0.000 3.429 522 L HA 0.397 4.737 4.340 0.000 0.000 0.311 522 L C -0.720 176.160 176.870 0.015 0.000 1.274 522 L CA 0.080 54.924 54.840 0.006 0.000 1.037 522 L CB 1.292 43.352 42.059 0.002 0.000 1.433 522 L HN 0.290 nan 8.230 nan 0.000 0.614 523 L N 1.353 122.588 121.223 0.021 0.000 2.377 523 L HA 0.561 4.901 4.340 0.000 0.000 0.270 523 L C -2.291 174.602 176.870 0.039 0.000 0.991 523 L CA -1.635 53.223 54.840 0.030 0.000 0.851 523 L CB 1.323 43.400 42.059 0.030 0.000 1.218 523 L HN -0.225 nan 8.230 nan 0.000 0.420 524 P HA -0.074 nan 4.420 nan 0.000 0.191 524 P C -0.066 177.275 177.300 0.070 0.000 1.337 524 P CA 0.068 63.201 63.100 0.055 0.000 0.945 524 P CB -0.533 31.199 31.700 0.054 0.000 1.664 525 L N 1.980 123.242 121.223 0.066 0.000 2.694 525 L HA -0.040 4.300 4.340 0.000 0.000 0.287 525 L C 0.515 177.439 176.870 0.090 0.000 1.249 525 L CA 0.316 55.198 54.840 0.070 0.000 1.177 525 L CB -1.336 40.756 42.059 0.054 0.000 1.435 525 L HN 0.128 nan 8.230 nan 0.000 0.440 526 D N 1.542 122.007 120.400 0.109 0.000 2.511 526 D HA 0.193 4.833 4.640 0.000 0.000 0.276 526 D C 1.339 177.738 176.300 0.165 0.000 1.220 526 D CA -0.557 53.519 54.000 0.126 0.000 1.077 526 D CB 0.430 41.299 40.800 0.116 0.000 1.126 526 D HN 0.207 nan 8.370 nan 0.000 0.583 527 M N -0.798 118.910 119.600 0.180 0.000 4.029 527 M HA -0.234 4.246 4.480 0.000 0.000 0.292 527 M C 2.121 178.605 176.300 0.306 0.000 1.018 527 M CA 1.897 57.342 55.300 0.242 0.000 1.040 527 M CB -1.369 31.299 32.600 0.114 0.000 1.213 527 M HN 0.589 nan 8.290 nan 0.000 0.652 528 F N 1.123 121.150 119.950 0.127 0.000 2.176 528 F HA -0.271 4.256 4.527 0.000 0.000 0.301 528 F C 2.430 178.315 175.800 0.143 0.000 1.071 528 F CA 2.081 60.153 58.000 0.120 0.000 1.289 528 F CB -0.320 38.718 39.000 0.062 0.000 1.028 528 F HN 0.180 nan 8.300 nan 0.000 0.494 529 S N 0.619 116.348 115.700 0.048 0.000 2.338 529 S HA -0.213 4.257 4.470 0.000 0.000 0.218 529 S C 1.953 176.465 174.600 -0.146 0.000 1.032 529 S CA 1.664 59.827 58.200 -0.063 0.000 0.999 529 S CB -0.446 62.787 63.200 0.056 0.000 0.905 529 S HN 0.399 nan 8.310 nan 0.000 0.439 530 M N 0.530 120.060 119.600 -0.116 0.000 2.108 530 M HA -0.116 4.364 4.480 0.000 0.000 0.257 530 M C 0.440 176.405 176.300 -0.558 0.000 1.071 530 M CA 1.574 56.645 55.300 -0.382 0.000 1.093 530 M CB -0.568 31.654 32.600 -0.631 0.000 1.345 530 M HN 0.218 nan 8.290 nan 0.000 0.403 531 F N -0.902 118.951 119.950 -0.160 0.000 2.898 531 F HA 0.273 4.800 4.527 0.000 0.000 0.290 531 F C 1.690 177.349 175.800 -0.234 0.000 1.195 531 F CA -0.317 57.590 58.000 -0.155 0.000 1.387 531 F CB -0.819 38.109 39.000 -0.119 0.000 0.976 531 F HN 0.006 nan 8.300 nan 0.000 0.510 532 S N 0.172 115.760 115.700 -0.187 0.000 2.324 532 S HA 0.242 4.712 4.470 0.000 0.000 0.210 532 S C 1.878 176.409 174.600 -0.116 0.000 1.027 532 S CA 0.772 58.818 58.200 -0.256 0.000 0.945 532 S CB -0.638 62.362 63.200 -0.334 0.000 0.908 532 S HN 0.437 nan 8.310 nan 0.000 0.496 533 G N 0.656 109.396 108.800 -0.100 0.000 2.522 533 G HA2 0.300 4.260 3.960 0.000 0.000 0.223 533 G HA3 0.300 4.260 3.960 0.000 0.000 0.223 533 G C 0.662 175.536 174.900 -0.043 0.000 1.565 533 G CA 0.386 45.450 45.100 -0.060 0.000 1.053 533 G HN 0.661 nan 8.290 nan 0.000 0.547 534 I N -1.537 119.012 120.570 -0.035 0.000 3.992 534 I HA -0.365 3.805 4.170 0.000 0.000 0.132 534 I C 1.233 177.349 176.117 -0.002 0.000 0.376 534 I CA 1.617 62.907 61.300 -0.018 0.000 1.243 534 I CB -1.473 36.518 38.000 -0.016 0.000 1.098 534 I HN 1.109 nan 8.210 nan 0.000 0.198 535 K N 0.880 121.280 120.400 -0.000 0.000 1.312 535 K HA -0.371 3.949 4.320 0.000 0.000 0.723 535 K C 0.722 177.331 176.600 0.015 0.000 1.921 535 K CA 2.066 58.357 56.287 0.007 0.000 1.159 535 K CB -1.496 31.006 32.500 0.004 0.000 2.100 535 K HN 1.372 nan 8.250 nan 0.000 0.497 536 S N -1.840 113.868 115.700 0.014 0.000 4.148 536 S HA -0.428 4.042 4.470 0.000 0.000 0.515 536 S C 1.209 175.820 174.600 0.018 0.000 1.828 536 S CA 3.746 61.956 58.200 0.016 0.000 4.202 536 S CB -3.141 60.069 63.200 0.016 0.000 0.562 536 S HN 2.702 nan 8.310 nan 0.000 0.454 537 T N 0.638 115.206 114.554 0.022 0.000 3.078 537 T HA -0.155 4.195 4.350 0.000 0.000 0.442 537 T C 0.110 174.820 174.700 0.017 0.000 0.774 537 T CA 0.643 62.757 62.100 0.024 0.000 2.261 537 T CB -2.237 66.650 68.868 0.031 0.000 1.629 537 T HN 1.040 nan 8.240 nan 0.000 0.552 538 I N 2.720 123.298 120.570 0.014 0.000 2.372 538 I HA 0.118 4.288 4.170 0.000 0.000 0.298 538 I C 1.164 177.285 176.117 0.007 0.000 1.137 538 I CA 0.068 61.374 61.300 0.010 0.000 1.314 538 I CB -0.634 37.371 38.000 0.009 0.000 1.444 538 I HN 0.668 nan 8.210 nan 0.000 0.541 539 D N 4.538 124.941 120.400 0.004 0.000 2.733 539 D HA -0.244 4.396 4.640 0.000 0.000 0.232 539 D C 1.079 177.376 176.300 -0.006 0.000 1.161 539 D CA 1.106 55.104 54.000 -0.003 0.000 0.653 539 D CB 0.005 40.803 40.800 -0.005 0.000 1.052 539 D HN 0.695 nan 8.370 nan 0.000 0.424 540 A N 0.464 123.285 122.820 0.002 0.000 2.383 540 A HA 0.485 4.805 4.320 0.000 0.000 0.225 540 A C 2.322 179.910 177.584 0.007 0.000 1.946 540 A CA 1.319 53.361 52.037 0.008 0.000 0.739 540 A CB -1.017 17.995 19.000 0.020 0.000 1.405 540 A HN 0.343 nan 8.150 nan 0.000 0.548 541 A N 0.043 122.884 122.820 0.034 0.000 2.067 541 A HA -0.272 4.048 4.320 0.000 0.000 0.224 541 A C 1.956 179.501 177.584 -0.064 0.000 1.172 541 A CA 2.399 54.474 52.037 0.063 0.000 0.662 541 A CB -0.620 18.454 19.000 0.123 0.000 0.814 541 A HN 0.488 nan 8.150 nan 0.000 0.468 542 K N -0.107 120.257 120.400 -0.060 0.000 1.975 542 K HA -0.028 4.292 4.320 0.000 0.000 0.217 542 K C 2.020 178.550 176.600 -0.116 0.000 1.037 542 K CA 1.580 57.810 56.287 -0.096 0.000 0.971 542 K CB -1.403 31.068 32.500 -0.048 0.000 0.749 542 K HN 0.350 nan 8.250 nan 0.000 0.444 543 S N 1.381 117.039 115.700 -0.071 0.000 2.469 543 S HA -0.019 4.451 4.470 0.000 0.000 0.238 543 S C 2.002 176.562 174.600 -0.067 0.000 0.998 543 S CA 1.038 59.200 58.200 -0.065 0.000 0.957 543 S CB -0.237 62.941 63.200 -0.037 0.000 0.764 543 S HN 0.242 nan 8.310 nan 0.000 0.514 544 M N 0.855 120.419 119.600 -0.059 0.000 2.193 544 M HA 0.051 4.531 4.480 0.000 0.000 0.265 544 M C 2.518 178.767 176.300 -0.086 0.000 1.071 544 M CA 1.153 56.434 55.300 -0.031 0.000 1.140 544 M CB -0.559 32.054 32.600 0.022 0.000 1.369 544 M HN 0.345 nan 8.290 nan 0.000 0.423 545 A N 0.010 122.680 122.820 -0.251 0.000 2.125 545 A HA -0.109 4.211 4.320 0.000 0.000 0.219 545 A C 2.084 179.458 177.584 -0.350 0.000 1.156 545 A CA 1.883 53.562 52.037 -0.597 0.000 0.671 545 A CB -0.892 17.419 19.000 -1.149 0.000 0.794 545 A HN 0.475 nan 8.150 nan 0.000 0.459 546 T N -1.161 113.262 114.554 -0.218 0.000 2.976 546 T HA 0.002 4.352 4.350 0.000 0.000 0.257 546 T C 2.206 176.851 174.700 -0.092 0.000 1.051 546 T CA 1.216 63.225 62.100 -0.153 0.000 1.141 546 T CB -0.034 68.763 68.868 -0.118 0.000 0.881 546 T HN 0.436 nan 8.240 nan 0.000 0.461 547 S N 1.249 116.912 115.700 -0.062 0.000 2.371 547 S HA -0.039 4.431 4.470 0.000 0.000 0.224 547 S C 2.320 176.920 174.600 0.001 0.000 1.029 547 S CA 0.557 58.744 58.200 -0.022 0.000 0.978 547 S CB -0.425 62.770 63.200 -0.007 0.000 0.833 547 S HN 0.233 nan 8.310 nan 0.000 0.466 548 V N 2.546 122.464 119.914 0.006 0.000 2.453 548 V HA -0.236 3.884 4.120 0.000 0.000 0.252 548 V C 2.289 178.400 176.094 0.028 0.000 1.068 548 V CA 1.423 63.753 62.300 0.050 0.000 1.070 548 V CB -0.660 31.226 31.823 0.104 0.000 0.664 548 V HN 0.461 nan 8.190 nan 0.000 0.461 549 M N -0.258 119.312 119.600 -0.049 0.000 2.073 549 M HA -0.106 4.374 4.480 0.000 0.000 0.259 549 M C 2.050 178.370 176.300 0.033 0.000 1.079 549 M CA 1.502 56.767 55.300 -0.058 0.000 1.131 549 M CB -1.262 31.268 32.600 -0.117 0.000 1.316 549 M HN 0.198 nan 8.290 nan 0.000 0.415 550 K N 0.768 121.170 120.400 0.005 0.000 2.703 550 K HA -0.156 4.164 4.320 0.000 0.000 0.197 550 K C 1.011 177.631 176.600 0.033 0.000 1.016 550 K CA 0.756 57.051 56.287 0.015 0.000 0.981 550 K CB 0.239 32.737 32.500 -0.003 0.000 0.805 550 K HN 0.144 nan 8.250 nan 0.000 0.490 551 K N -1.044 119.399 120.400 0.071 0.000 2.412 551 K HA 0.054 4.374 4.320 0.000 0.000 0.201 551 K C 1.551 178.201 176.600 0.083 0.000 1.275 551 K CA 0.178 56.503 56.287 0.063 0.000 0.910 551 K CB -0.537 32.005 32.500 0.071 0.000 1.346 551 K HN -0.024 nan 8.250 nan 0.000 0.490 552 F N 3.403 123.314 119.950 -0.065 0.000 2.011 552 F HA -0.217 4.310 4.527 0.000 0.000 0.296 552 F C 1.245 177.014 175.800 -0.051 0.000 1.144 552 F CA 1.795 59.752 58.000 -0.072 0.000 1.185 552 F CB -0.496 38.454 39.000 -0.085 0.000 0.961 552 F HN -0.028 nan 8.300 nan 0.000 0.485 553 K N 1.330 121.834 120.400 0.172 0.000 2.620 553 K HA -0.044 4.276 4.320 0.000 0.000 0.234 553 K C -0.031 176.584 176.600 0.025 0.000 1.194 553 K CA 0.644 56.978 56.287 0.078 0.000 1.186 553 K CB -0.584 31.955 32.500 0.066 0.000 1.270 553 K HN 0.376 nan 8.250 nan 0.000 0.235 554 K N 0.366 120.758 120.400 -0.013 0.000 3.496 554 K HA -0.017 4.303 4.320 0.000 0.000 0.135 554 K C -1.672 174.885 176.600 -0.072 0.000 1.127 554 K CA -0.018 56.251 56.287 -0.032 0.000 0.813 554 K CB -0.180 32.310 32.500 -0.017 0.000 0.831 554 K HN 0.370 nan 8.250 nan 0.000 0.389 555 S N -2.207 113.428 115.700 -0.108 0.000 2.757 555 S HA 0.582 5.052 4.470 0.000 0.000 0.285 555 S C 1.046 175.554 174.600 -0.152 0.000 1.196 555 S CA 0.043 58.152 58.200 -0.152 0.000 0.856 555 S CB 0.643 63.695 63.200 -0.246 0.000 1.212 555 S HN 0.320 nan 8.310 nan 0.000 0.516 556 G N 1.755 110.459 108.800 -0.160 0.000 2.900 556 G HA2 -0.173 3.787 3.960 0.000 0.000 0.212 556 G HA3 -0.173 3.787 3.960 0.000 0.000 0.212 556 G C 1.384 176.207 174.900 -0.128 0.000 1.359 556 G CA 1.358 46.382 45.100 -0.127 0.000 0.800 556 G HN 0.723 nan 8.290 nan 0.000 0.680 557 L N 0.851 121.978 121.223 -0.159 0.000 2.113 557 L HA -0.310 4.030 4.340 0.000 0.000 0.221 557 L C 3.340 180.168 176.870 -0.069 0.000 1.084 557 L CA 1.699 56.476 54.840 -0.105 0.000 0.787 557 L CB -1.072 40.907 42.059 -0.133 0.000 0.893 557 L HN 0.475 nan 8.230 nan 0.000 0.440 558 A N 1.026 123.783 122.820 -0.106 0.000 2.125 558 A HA -0.268 4.052 4.320 0.000 0.000 0.199 558 A C 1.895 179.465 177.584 -0.024 0.000 1.193 558 A CA 2.041 54.058 52.037 -0.033 0.000 0.747 558 A CB -1.053 17.921 19.000 -0.043 0.000 0.853 558 A HN 0.553 nan 8.150 nan 0.000 0.513 559 N N 0.738 119.417 118.700 -0.035 0.000 2.106 559 N HA -0.319 4.421 4.740 0.000 0.000 0.200 559 N C 2.037 177.524 175.510 -0.038 0.000 1.014 559 N CA 2.715 55.746 53.050 -0.032 0.000 0.891 559 N CB -1.185 37.279 38.487 -0.039 0.000 1.069 559 N HN 0.748 nan 8.380 nan 0.000 0.490 560 S N 1.431 117.101 115.700 -0.050 0.000 2.389 560 S HA -0.193 4.277 4.470 0.000 0.000 0.229 560 S C 2.284 176.847 174.600 -0.063 0.000 1.048 560 S CA 2.268 60.432 58.200 -0.061 0.000 1.117 560 S CB -1.148 62.014 63.200 -0.063 0.000 1.020 560 S HN 0.171 nan 8.310 nan 0.000 0.430 561 V N 1.927 121.817 119.914 -0.040 0.000 2.380 561 V HA -0.171 3.949 4.120 0.000 0.000 0.251 561 V C 2.991 179.072 176.094 -0.023 0.000 1.063 561 V CA 2.136 64.421 62.300 -0.026 0.000 1.055 561 V CB -1.182 30.655 31.823 0.024 0.000 0.657 561 V HN 0.745 nan 8.190 nan 0.000 0.455 562 S N -1.398 114.294 115.700 -0.014 0.000 2.447 562 S HA -0.176 4.294 4.470 0.000 0.000 0.233 562 S C 1.970 176.555 174.600 -0.026 0.000 1.006 562 S CA 1.962 60.157 58.200 -0.008 0.000 0.957 562 S CB -0.229 62.970 63.200 -0.003 0.000 0.773 562 S HN 0.720 nan 8.310 nan 0.000 0.507 563 T N 2.327 116.852 114.554 -0.048 0.000 2.706 563 T HA 0.030 4.380 4.350 0.000 0.000 0.255 563 T C 1.665 176.313 174.700 -0.088 0.000 1.048 563 T CA 1.205 63.267 62.100 -0.063 0.000 1.153 563 T CB -0.606 68.218 68.868 -0.074 0.000 0.865 563 T HN 0.341 nan 8.240 nan 0.000 0.414 564 L N 1.443 122.581 121.223 -0.142 0.000 2.030 564 L HA -0.239 4.101 4.340 0.000 0.000 0.222 564 L C 2.370 179.172 176.870 -0.115 0.000 1.082 564 L CA 2.205 56.912 54.840 -0.223 0.000 0.785 564 L CB -1.477 40.364 42.059 -0.364 0.000 0.895 564 L HN 0.281 nan 8.230 nan 0.000 0.439 565 T N -0.209 114.314 114.554 -0.052 0.000 2.592 565 T HA -0.249 4.101 4.350 0.000 0.000 0.267 565 T C 1.547 176.252 174.700 0.008 0.000 1.060 565 T CA 1.866 63.970 62.100 0.007 0.000 1.167 565 T CB -0.557 68.322 68.868 0.018 0.000 0.863 565 T HN 0.528 nan 8.240 nan 0.000 0.431 566 D N 1.074 121.469 120.400 -0.009 0.000 2.078 566 D HA -0.051 4.589 4.640 0.000 0.000 0.193 566 D C 2.403 178.700 176.300 -0.006 0.000 0.990 566 D CA 1.236 55.234 54.000 -0.004 0.000 0.827 566 D CB -0.532 40.261 40.800 -0.011 0.000 0.975 566 D HN 0.264 nan 8.370 nan 0.000 0.451 567 S N 0.524 116.208 115.700 -0.028 0.000 2.481 567 S HA -0.161 4.309 4.470 0.000 0.000 0.253 567 S C 1.971 176.573 174.600 0.003 0.000 0.998 567 S CA 0.592 58.774 58.200 -0.029 0.000 0.972 567 S CB -0.140 63.015 63.200 -0.074 0.000 0.751 567 S HN 0.268 nan 8.310 nan 0.000 0.515 568 L N -0.063 121.176 121.223 0.026 0.000 2.276 568 L HA 0.023 4.363 4.340 0.000 0.000 0.194 568 L C 2.485 179.384 176.870 0.048 0.000 1.099 568 L CA 0.583 55.464 54.840 0.069 0.000 0.800 568 L CB -0.890 41.240 42.059 0.117 0.000 0.994 568 L HN 0.217 nan 8.230 nan 0.000 0.475 569 S N 0.789 116.512 115.700 0.039 0.000 2.404 569 S HA -0.256 4.214 4.470 0.000 0.000 0.230 569 S C 1.419 176.032 174.600 0.022 0.000 1.046 569 S CA 2.059 60.277 58.200 0.028 0.000 1.135 569 S CB -0.706 62.507 63.200 0.022 0.000 1.056 569 S HN 0.474 nan 8.310 nan 0.000 0.426 570 D N 2.048 122.457 120.400 0.015 0.000 2.271 570 D HA -0.080 4.560 4.640 0.000 0.000 0.207 570 D C 1.765 178.073 176.300 0.013 0.000 0.983 570 D CA 1.097 55.103 54.000 0.010 0.000 0.878 570 D CB -0.553 40.249 40.800 0.003 0.000 0.920 570 D HN 0.450 nan 8.370 nan 0.000 0.479 571 A N 1.502 124.334 122.820 0.020 0.000 1.824 571 A HA 0.152 4.472 4.320 0.000 0.000 0.215 571 A C 2.397 179.995 177.584 0.022 0.000 1.244 571 A CA 1.991 54.042 52.037 0.025 0.000 0.604 571 A CB -1.138 17.886 19.000 0.040 0.000 0.900 571 A HN 0.235 nan 8.150 nan 0.000 0.455 572 A N -0.757 122.078 122.820 0.027 0.000 1.834 572 A HA -0.109 4.211 4.320 0.000 0.000 0.216 572 A C 2.417 180.010 177.584 0.015 0.000 1.203 572 A CA 2.535 54.585 52.037 0.021 0.000 0.621 572 A CB -1.484 17.529 19.000 0.023 0.000 0.841 572 A HN 0.718 nan 8.150 nan 0.000 0.446 573 S N -0.792 114.917 115.700 0.015 0.000 2.438 573 S HA -0.143 4.327 4.470 0.000 0.000 0.288 573 S C 1.839 176.445 174.600 0.009 0.000 1.264 573 S CA 1.516 59.723 58.200 0.012 0.000 2.096 573 S CB -0.845 62.363 63.200 0.012 0.000 0.979 573 S HN 0.651 nan 8.310 nan 0.000 0.376 574 S N 0.777 116.482 115.700 0.008 0.000 2.496 574 S HA 0.130 4.600 4.470 0.000 0.000 0.302 574 S C 0.555 175.159 174.600 0.006 0.000 1.450 574 S CA 1.193 59.397 58.200 0.006 0.000 2.307 574 S CB -0.534 62.669 63.200 0.004 0.000 0.510 574 S HN 0.594 nan 8.310 nan 0.000 0.344 575 I N 0.213 120.786 120.570 0.005 0.000 2.722 575 I HA 0.211 4.381 4.170 0.000 0.000 0.295 575 I C -0.369 175.751 176.117 0.004 0.000 1.161 575 I CA -0.624 60.679 61.300 0.005 0.000 1.032 575 I CB 2.123 40.126 38.000 0.003 0.000 1.244 575 I HN 0.473 nan 8.210 nan 0.000 0.421 576 S N 4.715 120.418 115.700 0.006 0.000 2.714 576 S HA 0.113 4.583 4.470 0.000 0.000 0.318 576 S C 0.312 174.913 174.600 0.002 0.000 1.219 576 S CA -0.386 57.817 58.200 0.005 0.000 1.175 576 S CB -0.289 62.916 63.200 0.008 0.000 0.961 576 S HN 0.545 nan 8.310 nan 0.000 0.518 577 R N 3.193 123.693 120.500 -0.001 0.000 2.586 577 R HA 0.116 4.456 4.340 0.000 0.000 0.346 577 R C 1.169 177.467 176.300 -0.003 0.000 1.044 577 R CA 0.415 56.513 56.100 -0.003 0.000 1.004 577 R CB -0.380 29.916 30.300 -0.006 0.000 0.968 577 R HN 0.825 nan 8.270 nan 0.000 0.438 578 G N 2.037 110.836 108.800 -0.001 0.000 3.401 578 G HA2 0.160 4.120 3.960 0.000 0.000 0.251 578 G HA3 0.160 4.120 3.960 0.000 0.000 0.251 578 G C 0.778 175.677 174.900 -0.002 0.000 0.960 578 G CA -0.401 44.698 45.100 -0.001 0.000 1.900 578 G HN 0.673 nan 8.290 nan 0.000 0.645 579 A N 0.913 123.730 122.820 -0.004 0.000 2.478 579 A HA 0.539 4.859 4.320 0.000 0.000 0.239 579 A C 0.941 178.522 177.584 -0.005 0.000 1.480 579 A CA 0.329 52.363 52.037 -0.005 0.000 1.308 579 A CB -0.762 18.233 19.000 -0.008 0.000 0.899 579 A HN 1.119 nan 8.150 nan 0.000 0.600 580 S N -1.781 113.917 115.700 -0.003 0.000 2.971 580 S HA -0.079 4.391 4.470 0.000 0.000 0.856 580 S C -0.700 173.899 174.600 -0.001 0.000 0.951 580 S CA 0.150 58.349 58.200 -0.002 0.000 1.380 580 S CB -0.967 62.231 63.200 -0.003 0.000 0.986 580 S HN 0.874 nan 8.310 nan 0.000 0.235 581 I N 1.595 122.166 120.570 0.001 0.000 2.743 581 I HA 0.569 4.739 4.170 0.000 0.000 0.292 581 I C -0.406 175.715 176.117 0.007 0.000 1.343 581 I CA -0.559 60.744 61.300 0.004 0.000 1.038 581 I CB 2.245 40.248 38.000 0.005 0.000 1.311 581 I HN 0.654 nan 8.210 nan 0.000 0.426 582 R N 2.973 123.479 120.500 0.010 0.000 2.930 582 R HA 0.728 5.068 4.340 0.000 0.000 0.257 582 R C -0.841 175.472 176.300 0.021 0.000 1.107 582 R CA -0.487 55.620 56.100 0.012 0.000 0.999 582 R CB 1.873 32.178 30.300 0.009 0.000 1.209 582 R HN 0.539 nan 8.270 nan 0.000 0.486 583 S N 0.290 116.004 115.700 0.023 0.000 2.407 583 S HA 0.188 4.658 4.470 0.000 0.000 0.166 583 S C -0.797 173.825 174.600 0.036 0.000 1.445 583 S CA -0.733 57.488 58.200 0.034 0.000 1.260 583 S CB 0.365 63.583 63.200 0.029 0.000 1.401 583 S HN 0.307 nan 8.310 nan 0.000 0.379 584 V N 2.637 122.575 119.914 0.039 0.000 2.596 584 V HA 0.420 4.540 4.120 0.000 0.000 0.260 584 V C 1.229 177.358 176.094 0.057 0.000 0.968 584 V CA 1.691 64.014 62.300 0.039 0.000 1.172 584 V CB -1.145 30.700 31.823 0.036 0.000 1.014 584 V HN 1.155 nan 8.190 nan 0.000 0.468 585 G N 3.186 112.009 108.800 0.038 0.000 2.359 585 G HA2 0.205 4.165 3.960 0.000 0.000 0.314 585 G HA3 0.205 4.165 3.960 0.000 0.000 0.314 585 G C 0.531 175.441 174.900 0.017 0.000 1.364 585 G CA 0.144 45.264 45.100 0.033 0.000 0.978 585 G HN 0.911 nan 8.290 nan 0.000 0.615 586 S N -0.616 115.088 115.700 0.006 0.000 2.407 586 S HA 0.017 4.487 4.470 0.000 0.000 0.244 586 S C 1.191 175.794 174.600 0.005 0.000 1.077 586 S CA 2.514 60.714 58.200 -0.000 0.000 1.159 586 S CB -0.418 62.775 63.200 -0.011 0.000 1.045 586 S HN 2.053 nan 8.310 nan 0.000 0.438 587 S N -0.717 114.988 115.700 0.009 0.000 2.611 587 S HA 0.714 5.184 4.470 0.000 0.000 0.268 587 S C -0.707 173.908 174.600 0.024 0.000 1.156 587 S CA -0.558 57.650 58.200 0.013 0.000 0.817 587 S CB 1.243 64.447 63.200 0.008 0.000 1.122 587 S HN 0.961 nan 8.310 nan 0.000 0.466 588 A N 1.428 124.264 122.820 0.027 0.000 2.587 588 A HA 0.467 4.787 4.320 0.000 0.000 0.233 588 A C 0.426 178.041 177.584 0.052 0.000 1.049 588 A CA 0.730 52.790 52.037 0.038 0.000 0.754 588 A CB -0.525 18.493 19.000 0.030 0.000 0.977 588 A HN 1.741 nan 8.150 nan 0.000 0.509 589 S N 0.570 116.319 115.700 0.081 0.000 2.888 589 S HA 0.493 4.963 4.470 0.000 0.000 0.145 589 S C 0.501 175.233 174.600 0.221 0.000 0.705 589 S CA 0.438 58.716 58.200 0.130 0.000 0.891 589 S CB -0.426 62.833 63.200 0.098 0.000 1.592 589 S HN 2.468 nan 8.310 nan 0.000 0.514 590 A N 2.327 125.246 122.820 0.164 0.000 1.745 590 A HA -0.345 3.975 4.320 0.000 0.000 0.339 590 A C 1.573 179.203 177.584 0.077 0.000 4.536 590 A CA 3.015 55.104 52.037 0.086 0.000 1.018 590 A CB -2.406 16.614 19.000 0.033 0.000 0.591 590 A HN 1.214 nan 8.150 nan 0.000 0.481 591 W N -1.094 120.204 121.300 -0.004 0.000 2.256 591 W HA -0.202 4.458 4.660 0.000 0.000 0.334 591 W C 2.838 179.367 176.519 0.017 0.000 1.310 591 W CA 2.302 59.646 57.345 -0.002 0.000 1.180 591 W CB -1.751 27.698 29.460 -0.017 0.000 1.136 591 W HN 0.484 nan 8.180 nan 0.000 0.469 592 T N 0.644 115.381 114.554 0.304 0.000 2.502 592 T HA -0.285 4.065 4.350 0.000 0.000 0.258 592 T C 1.461 176.239 174.700 0.130 0.000 1.146 592 T CA 2.283 64.500 62.100 0.196 0.000 1.208 592 T CB -1.121 67.835 68.868 0.146 0.000 0.864 592 T HN 0.367 nan 8.240 nan 0.000 0.402 593 D N 1.604 122.065 120.400 0.101 0.000 2.103 593 D HA -0.125 4.515 4.640 0.000 0.000 0.190 593 D C 2.169 178.492 176.300 0.038 0.000 0.997 593 D CA 1.391 55.428 54.000 0.062 0.000 0.833 593 D CB -1.048 39.783 40.800 0.052 0.000 0.961 593 D HN 0.305 nan 8.370 nan 0.000 0.447 594 V N 0.847 120.777 119.914 0.028 0.000 2.527 594 V HA -0.256 3.864 4.120 0.000 0.000 0.255 594 V C 2.717 178.804 176.094 -0.012 0.000 1.081 594 V CA 2.103 64.401 62.300 -0.003 0.000 1.092 594 V CB -0.482 31.323 31.823 -0.031 0.000 0.673 594 V HN 0.295 nan 8.190 nan 0.000 0.470 595 S N -1.335 114.365 115.700 -0.001 0.000 2.427 595 S HA -0.105 4.365 4.470 0.000 0.000 0.224 595 S C 2.006 176.612 174.600 0.009 0.000 1.047 595 S CA 1.184 59.382 58.200 -0.003 0.000 0.953 595 S CB -0.169 63.036 63.200 0.008 0.000 0.824 595 S HN 0.628 nan 8.310 nan 0.000 0.502 596 T N 2.259 116.829 114.554 0.027 0.000 2.751 596 T HA -0.210 4.140 4.350 0.000 0.000 0.268 596 T C 1.687 176.392 174.700 0.007 0.000 1.045 596 T CA 1.926 64.039 62.100 0.022 0.000 1.142 596 T CB -0.214 68.675 68.868 0.035 0.000 0.851 596 T HN 0.340 nan 8.240 nan 0.000 0.474 597 Q N 0.239 120.042 119.800 0.006 0.000 1.900 597 Q HA 0.254 4.594 4.340 0.000 0.000 0.322 597 Q C 1.924 177.921 176.000 -0.006 0.000 0.959 597 Q CA 0.272 56.075 55.803 -0.000 0.000 0.866 597 Q CB -0.780 27.959 28.738 0.001 0.000 1.196 597 Q HN 0.337 nan 8.270 nan 0.000 0.458 598 I N 0.473 121.038 120.570 -0.009 0.000 4.442 598 I HA -0.538 3.632 4.170 0.000 0.000 0.102 598 I C 0.828 176.937 176.117 -0.012 0.000 0.669 598 I CA 2.427 63.719 61.300 -0.013 0.000 0.707 598 I CB -1.115 36.873 38.000 -0.020 0.000 0.598 598 I HN 0.747 nan 8.210 nan 0.000 0.214 599 T N 1.911 116.457 114.554 -0.014 0.000 3.580 599 T HA -0.168 4.183 4.350 0.000 0.000 0.402 599 T C -0.544 174.149 174.700 -0.012 0.000 0.765 599 T CA 0.796 62.888 62.100 -0.013 0.000 2.064 599 T CB -1.432 67.429 68.868 -0.011 0.000 1.724 599 T HN 0.641 nan 8.240 nan 0.000 0.719 600 D N 0.739 121.131 120.400 -0.014 0.000 2.193 600 D HA 0.547 5.187 4.640 0.000 0.000 0.244 600 D C 0.881 177.174 176.300 -0.012 0.000 1.064 600 D CA -0.326 53.667 54.000 -0.013 0.000 0.845 600 D CB 1.613 42.404 40.800 -0.015 0.000 1.148 600 D HN 0.393 nan 8.370 nan 0.000 0.464 601 V N 0.685 120.593 119.914 -0.010 0.000 6.003 601 V HA -0.191 3.929 4.120 0.000 0.000 0.330 601 V C -0.163 175.927 176.094 -0.007 0.000 0.425 601 V CA 1.171 63.465 62.300 -0.009 0.000 0.692 601 V CB -2.100 29.717 31.823 -0.010 0.000 0.366 601 V HN 0.900 nan 8.190 nan 0.000 1.322 602 S N 0.535 116.232 115.700 -0.006 0.000 2.385 602 S HA 0.678 5.148 4.470 0.000 0.000 0.191 602 S C -0.281 174.317 174.600 -0.003 0.000 1.196 602 S CA 0.374 58.571 58.200 -0.004 0.000 1.178 602 S CB 1.169 64.367 63.200 -0.003 0.000 1.258 602 S HN 1.249 nan 8.310 nan 0.000 0.430 603 S N 2.126 117.825 115.700 -0.002 0.000 2.566 603 S HA 0.857 5.327 4.470 0.000 0.000 0.298 603 S C 0.175 174.774 174.600 -0.000 0.000 1.083 603 S CA -0.317 57.882 58.200 -0.002 0.000 0.978 603 S CB 1.586 64.785 63.200 -0.002 0.000 1.073 603 S HN 1.469 nan 8.310 nan 0.000 0.491 604 S N -0.434 115.266 115.700 0.000 0.000 2.861 604 S HA -0.078 4.392 4.470 0.000 0.000 0.256 604 S C -0.082 174.519 174.600 0.002 0.000 1.443 604 S CA 0.460 58.660 58.200 0.001 0.000 0.784 604 S CB -2.147 61.053 63.200 -0.000 0.000 1.050 604 S HN 1.976 nan 8.310 nan 0.000 0.790 605 V N -1.397 118.520 119.914 0.004 0.000 6.461 605 V HA 0.871 4.991 4.120 0.000 0.000 0.306 605 V C 0.399 176.499 176.094 0.011 0.000 1.676 605 V CA 0.033 62.337 62.300 0.007 0.000 0.678 605 V CB 0.537 32.365 31.823 0.008 0.000 1.523 605 V HN 1.093 nan 8.190 nan 0.000 0.390 606 S N 0.228 115.939 115.700 0.019 0.000 2.621 606 S HA 0.638 5.108 4.470 0.000 0.000 0.302 606 S C 0.893 175.506 174.600 0.022 0.000 1.093 606 S CA 0.234 58.450 58.200 0.027 0.000 1.017 606 S CB 1.535 64.763 63.200 0.048 0.000 1.077 606 S HN 1.823 nan 8.310 nan 0.000 0.517 607 S N 2.408 118.116 115.700 0.013 0.000 2.415 607 S HA -0.194 4.276 4.470 0.000 0.000 0.236 607 S C 1.725 176.306 174.600 -0.031 0.000 1.295 607 S CA 1.095 59.289 58.200 -0.009 0.000 2.080 607 S CB -1.780 61.412 63.200 -0.014 0.000 0.831 607 S HN 0.885 nan 8.310 nan 0.000 0.368 608 I N 1.726 122.252 120.570 -0.074 0.000 3.938 608 I HA -0.428 3.742 4.170 0.000 0.000 0.148 608 I C 2.690 178.704 176.117 -0.171 0.000 0.715 608 I CA 2.261 63.440 61.300 -0.201 0.000 0.935 608 I CB -1.733 36.049 38.000 -0.363 0.000 0.757 608 I HN 0.512 nan 8.210 nan 0.000 0.267 609 S N -0.138 115.540 115.700 -0.036 0.000 2.399 609 S HA -0.289 4.181 4.470 0.000 0.000 0.235 609 S C 1.883 176.474 174.600 -0.015 0.000 1.063 609 S CA 2.446 60.665 58.200 0.031 0.000 1.070 609 S CB -0.692 62.562 63.200 0.090 0.000 0.904 609 S HN 0.594 nan 8.310 nan 0.000 0.456 610 T N 1.840 116.382 114.554 -0.020 0.000 2.674 610 T HA -0.135 4.215 4.350 0.000 0.000 0.265 610 T C 2.000 176.680 174.700 -0.032 0.000 1.039 610 T CA 1.602 63.691 62.100 -0.019 0.000 1.150 610 T CB -0.379 68.480 68.868 -0.015 0.000 0.864 610 T HN 0.402 nan 8.240 nan 0.000 0.427 611 Q N 0.832 120.599 119.800 -0.054 0.000 1.967 611 Q HA -0.054 4.286 4.340 0.000 0.000 0.202 611 Q C 2.700 178.663 176.000 -0.062 0.000 0.985 611 Q CA 1.848 57.620 55.803 -0.052 0.000 0.839 611 Q CB -1.203 27.496 28.738 -0.065 0.000 0.906 611 Q HN 0.395 nan 8.270 nan 0.000 0.423 612 T N 0.517 114.989 114.554 -0.137 0.000 2.616 612 T HA -0.344 4.006 4.350 0.000 0.000 0.261 612 T C 1.893 176.569 174.700 -0.040 0.000 1.105 612 T CA 1.842 63.843 62.100 -0.166 0.000 1.159 612 T CB -0.895 67.847 68.868 -0.211 0.000 0.856 612 T HN 0.339 nan 8.240 nan 0.000 0.449 613 S N 0.168 115.855 115.700 -0.023 0.000 2.444 613 S HA -0.208 4.262 4.470 0.000 0.000 0.225 613 S C 2.255 176.861 174.600 0.009 0.000 1.042 613 S CA 2.308 60.512 58.200 0.007 0.000 1.132 613 S CB -1.049 62.153 63.200 0.004 0.000 1.099 613 S HN 0.639 nan 8.310 nan 0.000 0.417 614 T N 1.699 116.252 114.554 -0.002 0.000 2.869 614 T HA -0.077 4.273 4.350 0.000 0.000 0.270 614 T C 1.614 176.319 174.700 0.008 0.000 1.082 614 T CA 1.354 63.452 62.100 -0.004 0.000 1.123 614 T CB -0.341 68.521 68.868 -0.010 0.000 0.856 614 T HN 0.465 nan 8.240 nan 0.000 0.499 615 I N 0.244 120.834 120.570 0.034 0.000 3.419 615 I HA -0.046 4.124 4.170 0.000 0.000 0.286 615 I C 1.939 178.121 176.117 0.108 0.000 1.268 615 I CA 0.329 61.683 61.300 0.090 0.000 1.414 615 I CB 0.133 38.234 38.000 0.168 0.000 1.074 615 I HN 0.137 nan 8.210 nan 0.000 0.457 616 S N 0.781 116.526 115.700 0.075 0.000 2.325 616 S HA -0.104 4.366 4.470 0.000 0.000 0.214 616 S C 1.800 176.400 174.600 0.000 0.000 1.031 616 S CA 0.769 59.012 58.200 0.072 0.000 0.972 616 S CB -0.271 62.982 63.200 0.087 0.000 0.908 616 S HN 0.296 nan 8.310 nan 0.000 0.453 617 R N 1.605 122.101 120.500 -0.006 0.000 2.261 617 R HA -0.271 4.069 4.340 0.000 0.000 0.252 617 R C 2.426 178.679 176.300 -0.078 0.000 1.116 617 R CA 2.485 58.563 56.100 -0.036 0.000 0.942 617 R CB -0.521 29.757 30.300 -0.037 0.000 0.932 617 R HN 0.609 nan 8.270 nan 0.000 0.441 618 R N -0.048 120.389 120.500 -0.105 0.000 2.080 618 R HA 0.032 4.372 4.340 0.000 0.000 0.222 618 R C 2.338 178.542 176.300 -0.160 0.000 1.107 618 R CA 1.196 57.178 56.100 -0.196 0.000 0.980 618 R CB -0.771 29.334 30.300 -0.325 0.000 0.879 618 R HN 0.166 nan 8.270 nan 0.000 0.439 619 L N 1.680 122.869 121.223 -0.057 0.000 2.034 619 L HA -0.262 4.078 4.340 0.000 0.000 0.217 619 L C 2.081 178.790 176.870 -0.268 0.000 1.077 619 L CA 1.990 56.824 54.840 -0.011 0.000 0.769 619 L CB -0.525 41.532 42.059 -0.004 0.000 0.890 619 L HN 0.359 nan 8.230 nan 0.000 0.435 620 R N -0.979 119.281 120.500 -0.401 0.000 2.900 620 R HA 0.075 4.415 4.340 0.000 0.000 0.198 620 R C 1.394 177.620 176.300 -0.123 0.000 1.053 620 R CA -0.659 55.141 56.100 -0.501 0.000 1.132 620 R CB -0.560 29.652 30.300 -0.147 0.000 1.041 620 R HN -0.165 nan 8.270 nan 0.000 0.499 621 L N 0.508 121.740 121.223 0.015 0.000 3.210 621 L HA -0.460 3.880 4.340 0.000 0.000 0.221 621 L C 2.139 179.039 176.870 0.050 0.000 3.867 621 L CA 2.832 57.705 54.840 0.054 0.000 0.726 621 L CB -1.115 40.958 42.059 0.023 0.000 2.988 621 L HN 0.826 nan 8.230 nan 0.000 0.412 622 K N -1.349 119.047 120.400 -0.008 0.000 2.090 622 K HA -0.333 3.987 4.320 0.000 0.000 0.218 622 K C 1.870 178.510 176.600 0.068 0.000 1.055 622 K CA 2.323 58.595 56.287 -0.025 0.000 0.941 622 K CB -0.368 32.030 32.500 -0.171 0.000 0.722 622 K HN 0.661 nan 8.250 nan 0.000 0.458 623 E N 0.653 120.930 120.200 0.128 0.000 2.051 623 E HA -0.163 4.187 4.350 0.000 0.000 0.192 623 E C 2.078 178.799 176.600 0.201 0.000 0.991 623 E CA 1.274 57.853 56.400 0.299 0.000 0.799 623 E CB 0.034 29.923 29.700 0.315 0.000 0.748 623 E HN 0.147 nan 8.360 nan 0.000 0.449 624 M N 0.576 120.278 119.600 0.170 0.000 2.113 624 M HA -0.199 4.281 4.480 0.000 0.000 0.255 624 M C 1.769 178.162 176.300 0.155 0.000 1.073 624 M CA 1.603 57.011 55.300 0.179 0.000 1.091 624 M CB -1.169 31.555 32.600 0.207 0.000 1.309 624 M HN 0.256 nan 8.290 nan 0.000 0.407 625 A N -0.071 122.843 122.820 0.156 0.000 2.558 625 A HA 0.141 4.461 4.320 0.000 0.000 0.235 625 A C 1.139 178.808 177.584 0.142 0.000 1.677 625 A CA 0.974 53.104 52.037 0.156 0.000 1.531 625 A CB -0.733 18.366 19.000 0.166 0.000 0.841 625 A HN 0.611 nan 8.150 nan 0.000 0.631 626 T N -1.430 113.204 114.554 0.134 0.000 3.579 626 T HA 0.200 4.550 4.350 0.000 0.000 0.182 626 T C -0.890 173.862 174.700 0.086 0.000 0.819 626 T CA 0.599 62.770 62.100 0.117 0.000 0.959 626 T CB 0.117 69.075 68.868 0.148 0.000 1.037 626 T HN 0.698 nan 8.240 nan 0.000 0.303 627 Q N 1.307 121.154 119.800 0.078 0.000 2.313 627 Q HA 0.742 5.082 4.340 0.000 0.000 0.255 627 Q C -1.336 174.692 176.000 0.046 0.000 0.944 627 Q CA -0.539 55.292 55.803 0.048 0.000 0.881 627 Q CB 1.604 30.352 28.738 0.017 0.000 1.375 627 Q HN 0.370 nan 8.270 nan 0.000 0.422 628 T N 0.880 115.462 114.554 0.048 0.000 2.686 628 T HA 0.507 4.857 4.350 0.000 0.000 0.308 628 T C -1.051 173.669 174.700 0.033 0.000 1.667 628 T CA -0.986 61.144 62.100 0.050 0.000 0.987 628 T CB 0.961 69.889 68.868 0.100 0.000 1.652 628 T HN 0.630 nan 8.240 nan 0.000 0.496 629 E N -0.109 120.103 120.200 0.020 0.000 2.259 629 E HA 0.699 5.049 4.350 0.000 0.000 0.257 629 E C 0.716 177.305 176.600 -0.019 0.000 0.998 629 E CA -0.559 55.839 56.400 -0.003 0.000 0.866 629 E CB 0.558 30.244 29.700 -0.022 0.000 1.220 629 E HN 1.131 nan 8.360 nan 0.000 0.415 630 G N 0.217 108.997 108.800 -0.034 0.000 2.707 630 G HA2 -0.300 3.660 3.960 0.000 0.000 0.279 630 G HA3 -0.300 3.660 3.960 0.000 0.000 0.279 630 G C -0.422 174.442 174.900 -0.060 0.000 1.345 630 G CA -0.198 44.869 45.100 -0.056 0.000 0.912 630 G HN 0.343 nan 8.290 nan 0.000 0.563 631 M N 1.591 121.137 119.600 -0.090 0.000 2.356 631 M HA 0.138 4.618 4.480 0.000 0.000 0.348 631 M C 0.828 177.046 176.300 -0.137 0.000 1.595 631 M CA 0.797 56.035 55.300 -0.103 0.000 1.095 631 M CB -0.293 32.228 32.600 -0.131 0.000 1.963 631 M HN 0.431 nan 8.290 nan 0.000 0.459 632 N N 3.172 121.831 118.700 -0.068 0.000 2.419 632 N HA 0.226 4.966 4.740 0.000 0.000 0.264 632 N C 0.388 175.899 175.510 0.001 0.000 1.031 632 N CA -0.583 52.461 53.050 -0.010 0.000 0.951 632 N CB 0.664 39.199 38.487 0.080 0.000 1.101 632 N HN 0.485 nan 8.380 nan 0.000 0.488 633 F N 1.954 121.891 119.950 -0.023 0.000 2.222 633 F HA -0.479 4.048 4.527 0.000 0.000 0.281 633 F C 2.216 178.001 175.800 -0.025 0.000 1.130 633 F CA 1.950 59.936 58.000 -0.023 0.000 1.368 633 F CB -0.565 38.438 39.000 0.005 0.000 0.890 633 F HN 0.590 nan 8.300 nan 0.000 0.524 634 D N -0.131 120.375 120.400 0.176 0.000 2.170 634 D HA -0.244 4.396 4.640 0.000 0.000 0.193 634 D C 1.496 177.747 176.300 -0.080 0.000 1.004 634 D CA 2.003 55.978 54.000 -0.041 0.000 0.860 634 D CB -1.039 39.628 40.800 -0.222 0.000 0.931 634 D HN 0.453 nan 8.370 nan 0.000 0.448 635 D N -0.044 120.330 120.400 -0.045 0.000 2.384 635 D HA -0.013 4.627 4.640 0.000 0.000 0.222 635 D C 1.933 178.222 176.300 -0.019 0.000 0.976 635 D CA 0.304 54.283 54.000 -0.035 0.000 0.915 635 D CB -0.054 40.731 40.800 -0.026 0.000 0.896 635 D HN 0.378 nan 8.370 nan 0.000 0.523 636 I N -0.446 120.117 120.570 -0.012 0.000 3.081 636 I HA -0.109 4.061 4.170 0.000 0.000 0.274 636 I C 2.275 178.415 176.117 0.038 0.000 1.178 636 I CA 0.288 61.582 61.300 -0.010 0.000 1.460 636 I CB 0.005 37.983 38.000 -0.036 0.000 1.137 636 I HN 0.023 nan 8.210 nan 0.000 0.443 637 S N 1.912 117.663 115.700 0.084 0.000 2.335 637 S HA -0.126 4.344 4.470 0.000 0.000 0.216 637 S C 2.368 177.109 174.600 0.234 0.000 1.032 637 S CA 0.909 59.241 58.200 0.221 0.000 1.000 637 S CB -0.708 62.688 63.200 0.328 0.000 0.928 637 S HN 0.315 nan 8.310 nan 0.000 0.434 638 A N 2.871 125.764 122.820 0.121 0.000 1.909 638 A HA -0.081 4.239 4.320 0.000 0.000 0.221 638 A C 2.634 180.303 177.584 0.142 0.000 1.223 638 A CA 3.006 55.140 52.037 0.163 0.000 0.658 638 A CB -1.855 17.198 19.000 0.090 0.000 0.831 638 A HN 1.214 nan 8.150 nan 0.000 0.462 639 A N -0.889 121.984 122.820 0.088 0.000 1.903 639 A HA -0.119 4.201 4.320 0.000 0.000 0.219 639 A C 2.276 179.910 177.584 0.082 0.000 1.191 639 A CA 2.324 54.398 52.037 0.063 0.000 0.638 639 A CB -1.204 17.814 19.000 0.031 0.000 0.823 639 A HN 0.609 nan 8.150 nan 0.000 0.451 640 V N 0.214 120.195 119.914 0.113 0.000 2.255 640 V HA -0.293 3.827 4.120 0.000 0.000 0.247 640 V C 2.564 178.777 176.094 0.198 0.000 1.051 640 V CA 2.050 64.427 62.300 0.128 0.000 1.018 640 V CB -0.925 30.962 31.823 0.107 0.000 0.641 640 V HN 0.570 nan 8.190 nan 0.000 0.445 641 L N -0.143 121.246 121.223 0.276 0.000 1.932 641 L HA -0.204 4.136 4.340 0.000 0.000 0.217 641 L C 2.569 179.517 176.870 0.131 0.000 1.077 641 L CA 2.048 57.039 54.840 0.252 0.000 0.765 641 L CB -0.884 41.320 42.059 0.240 0.000 0.888 641 L HN 0.253 nan 8.230 nan 0.000 0.433 642 K N -0.065 120.382 120.400 0.078 0.000 2.366 642 K HA -0.160 4.160 4.320 0.000 0.000 0.202 642 K C 1.630 178.235 176.600 0.009 0.000 1.045 642 K CA 1.554 57.847 56.287 0.011 0.000 0.934 642 K CB -0.435 32.067 32.500 0.004 0.000 0.746 642 K HN 0.314 nan 8.250 nan 0.000 0.470 643 T N 0.674 115.249 114.554 0.035 0.000 2.925 643 T HA -0.066 4.284 4.350 0.000 0.000 0.232 643 T C 1.440 176.133 174.700 -0.012 0.000 1.055 643 T CA 1.368 63.475 62.100 0.012 0.000 1.419 643 T CB -0.267 68.615 68.868 0.022 0.000 1.094 643 T HN 0.360 nan 8.240 nan 0.000 0.423 644 K N 1.781 122.175 120.400 -0.009 0.000 2.089 644 K HA -0.139 4.181 4.320 0.000 0.000 0.210 644 K C 1.958 178.471 176.600 -0.145 0.000 1.048 644 K CA 1.800 58.016 56.287 -0.117 0.000 0.926 644 K CB -1.120 31.280 32.500 -0.168 0.000 0.714 644 K HN 0.422 nan 8.250 nan 0.000 0.448 645 I N 1.776 122.343 120.570 -0.006 0.000 3.387 645 I HA -0.131 4.039 4.170 0.000 0.000 0.298 645 I C 1.814 177.907 176.117 -0.039 0.000 1.311 645 I CA 0.913 62.223 61.300 0.017 0.000 1.318 645 I CB -0.486 37.556 38.000 0.070 0.000 1.023 645 I HN 0.377 nan 8.210 nan 0.000 0.540 646 D N 0.557 120.920 120.400 -0.062 0.000 2.526 646 D HA -0.044 4.596 4.640 0.000 0.000 0.293 646 D C 1.912 178.171 176.300 -0.068 0.000 1.081 646 D CA 0.124 54.089 54.000 -0.058 0.000 0.924 646 D CB 0.275 41.046 40.800 -0.047 0.000 1.498 646 D HN -0.005 nan 8.370 nan 0.000 0.497 647 R N 1.044 121.492 120.500 -0.087 0.000 2.319 647 R HA 0.272 4.612 4.340 0.000 0.000 0.204 647 R C 0.304 176.526 176.300 -0.130 0.000 0.954 647 R CA 0.147 56.191 56.100 -0.094 0.000 1.066 647 R CB -0.470 29.776 30.300 -0.091 0.000 0.991 647 R HN -0.062 nan 8.270 nan 0.000 0.486 648 S N -2.305 113.301 115.700 -0.157 0.000 2.690 648 S HA 0.419 4.889 4.470 0.000 0.000 0.285 648 S C 0.521 175.064 174.600 -0.096 0.000 1.135 648 S CA -0.254 57.837 58.200 -0.182 0.000 1.020 648 S CB 1.576 64.618 63.200 -0.264 0.000 1.159 648 S HN 0.306 nan 8.310 nan 0.000 0.534 649 T N 0.428 114.938 114.554 -0.073 0.000 3.123 649 T HA 0.101 4.451 4.350 0.000 0.000 0.266 649 T C -0.280 174.412 174.700 -0.012 0.000 0.873 649 T CA -0.258 61.821 62.100 -0.035 0.000 0.854 649 T CB 0.246 69.096 68.868 -0.031 0.000 1.254 649 T HN 0.380 nan 8.240 nan 0.000 0.570 650 Q N 1.671 121.468 119.800 -0.005 0.000 2.823 650 Q HA 0.444 4.784 4.340 0.000 0.000 0.370 650 Q C -0.493 175.545 176.000 0.063 0.000 1.110 650 Q CA 0.142 55.964 55.803 0.032 0.000 0.990 650 Q CB -0.144 28.623 28.738 0.049 0.000 1.383 650 Q HN 0.556 nan 8.270 nan 0.000 0.430 651 I N 1.480 122.079 120.570 0.048 0.000 2.563 651 I HA 0.120 4.290 4.170 0.000 0.000 0.276 651 I C 0.156 176.302 176.117 0.049 0.000 1.074 651 I CA -0.517 60.825 61.300 0.070 0.000 1.124 651 I CB 1.199 39.248 38.000 0.082 0.000 1.225 651 I HN 0.073 nan 8.210 nan 0.000 0.482 652 S N 5.911 121.640 115.700 0.047 0.000 2.669 652 S HA 0.471 4.941 4.470 0.000 0.000 0.270 652 S C -1.422 173.203 174.600 0.042 0.000 1.225 652 S CA -1.073 57.149 58.200 0.037 0.000 0.991 652 S CB 1.145 64.364 63.200 0.031 0.000 0.987 652 S HN 0.341 nan 8.310 nan 0.000 0.552 653 P HA -0.190 nan 4.420 nan 0.000 0.214 653 P C 0.861 178.186 177.300 0.041 0.000 1.163 653 P CA 1.702 64.828 63.100 0.043 0.000 0.889 653 P CB -0.465 31.256 31.700 0.035 0.000 0.790 654 N N -0.655 118.063 118.700 0.031 0.000 2.096 654 N HA -0.152 4.588 4.740 0.000 0.000 0.195 654 N C 1.740 177.267 175.510 0.027 0.000 1.017 654 N CA 2.131 55.196 53.050 0.025 0.000 0.870 654 N CB -0.718 37.781 38.487 0.020 0.000 1.024 654 N HN 0.213 nan 8.380 nan 0.000 0.434 655 T N 1.148 115.723 114.554 0.035 0.000 2.904 655 T HA 0.038 4.388 4.350 0.000 0.000 0.267 655 T C 1.917 176.640 174.700 0.039 0.000 1.059 655 T CA 0.334 62.455 62.100 0.035 0.000 1.137 655 T CB -0.198 68.702 68.868 0.054 0.000 0.879 655 T HN 0.148 nan 8.240 nan 0.000 0.467 656 L N 0.803 122.059 121.223 0.055 0.000 2.030 656 L HA -0.136 4.204 4.340 0.000 0.000 0.222 656 L C -1.170 175.735 176.870 0.058 0.000 1.082 656 L CA 1.372 56.252 54.840 0.067 0.000 0.785 656 L CB -1.823 40.294 42.059 0.097 0.000 0.895 656 L HN 0.241 nan 8.230 nan 0.000 0.439 657 P HA -0.017 nan 4.420 nan 0.000 0.293 657 P C 0.358 177.669 177.300 0.019 0.000 1.285 657 P CA -0.037 63.093 63.100 0.050 0.000 0.775 657 P CB 0.177 31.899 31.700 0.037 0.000 1.351 658 D N -1.249 119.157 120.400 0.011 0.000 4.522 658 D HA -0.324 4.316 4.640 0.000 0.000 0.302 658 D C 1.616 177.874 176.300 -0.069 0.000 0.484 658 D CA 2.101 56.082 54.000 -0.033 0.000 1.355 658 D CB -1.589 39.188 40.800 -0.039 0.000 0.790 658 D HN 0.407 nan 8.370 nan 0.000 0.336 659 I N 1.180 121.697 120.570 -0.088 0.000 2.161 659 I HA -0.364 3.806 4.170 0.000 0.000 0.246 659 I C 2.517 178.535 176.117 -0.166 0.000 1.048 659 I CA 2.101 63.303 61.300 -0.163 0.000 1.314 659 I CB -0.102 37.794 38.000 -0.173 0.000 1.014 659 I HN 0.170 nan 8.210 nan 0.000 0.418 660 V N 0.206 120.074 119.914 -0.076 0.000 2.223 660 V HA -0.321 3.799 4.120 0.000 0.000 0.244 660 V C 2.370 178.428 176.094 -0.060 0.000 1.045 660 V CA 2.578 64.849 62.300 -0.049 0.000 1.000 660 V CB -1.114 30.723 31.823 0.023 0.000 0.635 660 V HN 0.521 nan 8.190 nan 0.000 0.445 661 T N -0.095 114.467 114.554 0.014 0.000 2.505 661 T HA -0.306 4.044 4.350 0.000 0.000 0.259 661 T C 1.770 176.300 174.700 -0.282 0.000 1.158 661 T CA 2.267 64.265 62.100 -0.169 0.000 1.190 661 T CB -0.478 68.276 68.868 -0.189 0.000 0.864 661 T HN 0.631 nan 8.240 nan 0.000 0.413 662 E N 0.820 120.884 120.200 -0.227 0.000 2.236 662 E HA -0.267 4.083 4.350 0.000 0.000 0.205 662 E C 2.359 178.776 176.600 -0.304 0.000 1.028 662 E CA 1.047 57.313 56.400 -0.224 0.000 0.827 662 E CB -0.319 29.274 29.700 -0.179 0.000 0.735 662 E HN 0.539 nan 8.360 nan 0.000 0.470 663 A N 1.024 123.591 122.820 -0.422 0.000 1.883 663 A HA -0.244 4.076 4.320 0.000 0.000 0.217 663 A C 2.360 179.473 177.584 -0.785 0.000 1.186 663 A CA 1.922 53.415 52.037 -0.906 0.000 0.624 663 A CB -0.517 17.968 19.000 -0.859 0.000 0.822 663 A HN 0.184 nan 8.150 nan 0.000 0.444 664 S N 0.315 115.830 115.700 -0.309 0.000 2.354 664 S HA -0.229 4.241 4.470 0.000 0.000 0.219 664 S C 1.934 176.506 174.600 -0.046 0.000 1.035 664 S CA 1.641 59.829 58.200 -0.020 0.000 1.037 664 S CB -0.648 62.552 63.200 0.000 0.000 0.956 664 S HN 0.866 nan 8.310 nan 0.000 0.428 665 E N 1.776 121.899 120.200 -0.127 0.000 2.147 665 E HA -0.210 4.140 4.350 0.000 0.000 0.199 665 E C 0.348 176.941 176.600 -0.013 0.000 1.005 665 E CA 1.165 57.518 56.400 -0.080 0.000 0.810 665 E CB -0.333 29.295 29.700 -0.120 0.000 0.736 665 E HN 0.408 nan 8.360 nan 0.000 0.460 666 K N 0.290 120.688 120.400 -0.003 0.000 2.961 666 K HA 0.297 4.617 4.320 0.000 0.000 0.187 666 K C -1.411 175.427 176.600 0.398 0.000 1.110 666 K CA -0.373 55.984 56.287 0.118 0.000 0.968 666 K CB 0.524 33.071 32.500 0.079 0.000 1.287 666 K HN -0.055 nan 8.250 nan 0.000 0.578 667 F N 1.065 121.036 119.950 0.034 0.000 2.585 667 F HA 0.395 4.922 4.527 0.000 0.000 0.319 667 F C 0.283 176.111 175.800 0.046 0.000 1.165 667 F CA -2.053 55.979 58.000 0.053 0.000 0.949 667 F CB 0.983 40.033 39.000 0.085 0.000 1.218 667 F HN 0.173 nan 8.300 nan 0.000 0.453 668 I N 5.346 125.979 120.570 0.105 0.000 6.793 668 I HA -0.255 3.915 4.170 0.000 0.000 0.126 668 I C -1.819 174.326 176.117 0.047 0.000 1.828 668 I CA -0.362 60.978 61.300 0.065 0.000 2.046 668 I CB -0.748 37.314 38.000 0.104 0.000 3.541 668 I HN 0.423 nan 8.210 nan 0.000 0.172 669 P HA -0.258 nan 4.420 nan 0.000 0.222 669 P C 0.619 177.926 177.300 0.013 0.000 1.159 669 P CA 2.421 65.544 63.100 0.038 0.000 0.920 669 P CB 0.052 31.772 31.700 0.033 0.000 0.793 670 N N -0.812 117.889 118.700 0.002 0.000 2.992 670 N HA 0.432 5.172 4.740 0.000 0.000 0.338 670 N C -0.379 175.087 175.510 -0.073 0.000 1.376 670 N CA -0.508 52.535 53.050 -0.012 0.000 0.778 670 N CB 1.027 39.522 38.487 0.015 0.000 1.232 670 N HN 0.121 nan 8.380 nan 0.000 0.581 671 R N -3.334 117.128 120.500 -0.063 0.000 4.813 671 R HA 0.476 4.816 4.340 0.000 0.000 0.232 671 R C -2.074 174.185 176.300 -0.068 0.000 0.916 671 R CA -0.456 55.550 56.100 -0.157 0.000 1.022 671 R CB -0.953 28.910 30.300 -0.729 0.000 1.367 671 R HN 0.844 nan 8.270 nan 0.000 0.581 672 A N 0.728 123.543 122.820 -0.007 0.000 2.443 672 A HA 0.963 5.283 4.320 0.000 0.000 0.278 672 A C -1.657 175.900 177.584 -0.045 0.000 1.252 672 A CA -0.736 51.396 52.037 0.158 0.000 0.816 672 A CB 1.119 20.256 19.000 0.229 0.000 1.369 672 A HN 0.536 nan 8.150 nan 0.000 0.446 673 Y N -1.185 119.259 120.300 0.240 0.000 2.669 673 Y HA 0.734 5.284 4.550 0.000 0.000 0.335 673 Y C -0.030 176.022 175.900 0.253 0.000 1.116 673 Y CA -0.771 57.478 58.100 0.249 0.000 1.081 673 Y CB 1.835 40.429 38.460 0.224 0.000 1.297 673 Y HN 0.852 nan 8.280 nan 0.000 0.484 674 R N -0.752 119.956 120.500 0.346 0.000 2.710 674 R HA 0.872 5.212 4.340 0.000 0.000 0.270 674 R C -2.357 174.048 176.300 0.175 0.000 1.021 674 R CA -1.015 55.248 56.100 0.271 0.000 0.889 674 R CB 1.714 32.099 30.300 0.142 0.000 1.243 674 R HN 0.310 nan 8.270 nan 0.000 0.464 675 V N 2.491 122.495 119.914 0.150 0.000 2.524 675 V HA 0.422 4.542 4.120 0.000 0.000 0.297 675 V C -0.478 175.593 176.094 -0.039 0.000 1.035 675 V CA -0.675 61.627 62.300 0.002 0.000 0.867 675 V CB 1.746 33.505 31.823 -0.107 0.000 1.004 675 V HN 0.774 nan 8.190 nan 0.000 0.426 676 I N 4.369 124.896 120.570 -0.071 0.000 2.499 676 I HA 0.651 4.821 4.170 0.000 0.000 0.296 676 I C -0.353 175.694 176.117 -0.117 0.000 0.992 676 I CA 0.008 61.263 61.300 -0.075 0.000 1.297 676 I CB 1.463 39.410 38.000 -0.089 0.000 1.410 676 I HN 0.848 nan 8.210 nan 0.000 0.507 677 N N 5.985 124.621 118.700 -0.108 0.000 3.507 677 N HA 0.171 4.911 4.740 0.000 0.000 0.212 677 N C -1.445 174.025 175.510 -0.067 0.000 1.340 677 N CA -0.437 52.542 53.050 -0.118 0.000 0.844 677 N CB 0.267 38.621 38.487 -0.221 0.000 1.647 677 N HN 0.689 nan 8.380 nan 0.000 0.694 678 N N 3.028 121.718 118.700 -0.017 0.000 2.861 678 N HA -0.129 4.611 4.740 0.000 0.000 0.247 678 N C -1.327 174.207 175.510 0.041 0.000 1.117 678 N CA 1.155 54.211 53.050 0.011 0.000 0.703 678 N CB -1.198 37.293 38.487 0.005 0.000 1.052 678 N HN 0.860 nan 8.380 nan 0.000 0.555 679 D N -0.923 119.503 120.400 0.044 0.000 2.718 679 D HA -0.188 4.452 4.640 0.000 0.000 0.242 679 D C -0.678 175.673 176.300 0.084 0.000 1.123 679 D CA 0.927 54.956 54.000 0.049 0.000 0.690 679 D CB -1.346 39.481 40.800 0.045 0.000 1.059 679 D HN 0.658 nan 8.370 nan 0.000 0.429 680 E N -0.060 120.217 120.200 0.129 0.000 2.502 680 E HA 0.318 4.668 4.350 0.000 0.000 0.261 680 E C -0.181 176.688 176.600 0.447 0.000 0.974 680 E CA -0.697 55.898 56.400 0.324 0.000 0.795 680 E CB 1.937 31.942 29.700 0.508 0.000 1.385 680 E HN -0.036 nan 8.360 nan 0.000 0.400 681 V N 3.485 123.607 119.914 0.347 0.000 2.403 681 V HA 0.093 4.213 4.120 0.000 0.000 0.265 681 V C -0.202 176.305 176.094 0.689 0.000 1.034 681 V CA 0.199 62.673 62.300 0.290 0.000 1.036 681 V CB -1.041 30.607 31.823 -0.292 0.000 1.032 681 V HN 0.420 nan 8.190 nan 0.000 0.478 682 F N 3.319 123.475 119.950 0.344 0.000 2.391 682 F HA 0.455 4.982 4.527 0.000 0.000 0.359 682 F C 0.555 176.716 175.800 0.602 0.000 1.122 682 F CA -1.239 57.152 58.000 0.652 0.000 1.120 682 F CB 1.269 40.599 39.000 0.550 0.000 1.142 682 F HN 0.497 nan 8.300 nan 0.000 0.483 683 E N 2.312 122.935 120.200 0.706 0.000 2.149 683 E HA 0.587 4.937 4.350 0.000 0.000 0.255 683 E C -0.780 176.040 176.600 0.367 0.000 0.888 683 E CA -0.582 56.130 56.400 0.521 0.000 0.742 683 E CB 0.852 30.899 29.700 0.579 0.000 1.164 683 E HN 0.661 nan 8.360 nan 0.000 0.422 684 A N 4.098 127.205 122.820 0.479 0.000 2.906 684 A HA 0.310 4.630 4.320 0.000 0.000 0.289 684 A C 0.773 178.508 177.584 0.252 0.000 1.675 684 A CA 0.068 52.294 52.037 0.316 0.000 1.372 684 A CB -0.298 18.984 19.000 0.470 0.000 1.091 684 A HN 0.651 nan 8.150 nan 0.000 0.579 685 G N 2.965 111.860 108.800 0.159 0.000 2.734 685 G HA2 0.330 4.290 3.960 0.000 0.000 0.287 685 G HA3 0.330 4.290 3.960 0.000 0.000 0.287 685 G C 0.536 175.505 174.900 0.114 0.000 0.728 685 G CA 0.070 45.266 45.100 0.161 0.000 1.999 685 G HN 0.612 nan 8.290 nan 0.000 0.535 686 T N 2.469 117.108 114.554 0.142 0.000 2.856 686 T HA -0.067 4.283 4.350 0.000 0.000 0.327 686 T C 1.220 175.959 174.700 0.064 0.000 1.061 686 T CA 1.072 63.233 62.100 0.101 0.000 1.131 686 T CB 0.445 69.374 68.868 0.103 0.000 1.083 686 T HN 0.801 nan 8.240 nan 0.000 0.518 687 D N 0.047 120.473 120.400 0.044 0.000 4.473 687 D HA -0.193 4.447 4.640 0.000 0.000 0.201 687 D C 0.601 176.918 176.300 0.028 0.000 0.853 687 D CA 1.962 55.980 54.000 0.030 0.000 1.930 687 D CB -1.354 39.463 40.800 0.029 0.000 1.102 687 D HN 0.860 nan 8.370 nan 0.000 0.417 688 G N 0.043 108.859 108.800 0.027 0.000 2.563 688 G HA2 0.643 4.603 3.960 0.000 0.000 0.302 688 G HA3 0.643 4.603 3.960 0.000 0.000 0.302 688 G C -0.665 174.218 174.900 -0.027 0.000 1.301 688 G CA 0.313 45.418 45.100 0.008 0.000 0.965 688 G HN 0.520 nan 8.290 nan 0.000 0.480 689 R N -1.809 118.622 120.500 -0.116 0.000 4.220 689 R HA 0.018 4.358 4.340 0.000 0.000 0.314 689 R C -1.171 174.868 176.300 -0.435 0.000 0.248 689 R CA 0.548 56.390 56.100 -0.430 0.000 1.043 689 R CB -0.929 29.195 30.300 -0.293 0.000 1.220 689 R HN 1.841 nan 8.270 nan 0.000 0.440 690 F N -2.030 117.212 119.950 -1.179 0.000 2.643 690 F HA 0.591 5.118 4.527 0.000 0.000 0.310 690 F C -1.669 173.162 175.800 -1.616 0.000 1.017 690 F CA -1.377 55.879 58.000 -1.241 0.000 1.019 690 F CB 0.279 38.646 39.000 -1.055 0.000 1.269 690 F HN 0.349 nan 8.300 nan 0.000 0.513 691 F N 1.076 120.754 119.950 -0.452 0.000 3.049 691 F HA 1.036 5.563 4.527 0.000 0.000 0.329 691 F C -0.188 175.560 175.800 -0.086 0.000 1.208 691 F CA -1.416 56.414 58.000 -0.283 0.000 0.956 691 F CB 0.909 39.812 39.000 -0.162 0.000 1.469 691 F HN 0.929 nan 8.300 nan 0.000 0.516 692 A N -0.586 122.301 122.820 0.112 0.000 2.594 692 A HA 0.899 5.219 4.320 0.000 0.000 0.291 692 A C -2.417 175.116 177.584 -0.085 0.000 1.105 692 A CA -0.694 51.433 52.037 0.150 0.000 0.694 692 A CB 1.510 20.506 19.000 -0.006 0.000 1.291 692 A HN 0.679 nan 8.150 nan 0.000 0.410 693 Y N -0.973 119.309 120.300 -0.029 0.000 2.609 693 Y HA 0.696 5.246 4.550 0.000 0.000 0.336 693 Y C -0.217 175.635 175.900 -0.079 0.000 1.129 693 Y CA -1.347 56.683 58.100 -0.116 0.000 1.040 693 Y CB 1.165 39.447 38.460 -0.296 0.000 1.310 693 Y HN 0.680 nan 8.280 nan 0.000 0.460 694 R N 0.215 120.755 120.500 0.067 0.000 2.308 694 R HA 0.367 4.707 4.340 0.000 0.000 0.305 694 R C 0.748 176.960 176.300 -0.148 0.000 1.053 694 R CA -0.459 55.647 56.100 0.011 0.000 0.957 694 R CB 1.105 31.430 30.300 0.040 0.000 1.022 694 R HN 0.696 nan 8.270 nan 0.000 0.461 695 V N 3.221 123.075 119.914 -0.101 0.000 3.284 695 V HA -0.180 3.940 4.120 0.000 0.000 0.273 695 V C 0.735 176.727 176.094 -0.170 0.000 1.178 695 V CA 1.869 64.071 62.300 -0.163 0.000 1.177 695 V CB -0.264 31.565 31.823 0.009 0.000 0.793 695 V HN 0.647 nan 8.190 nan 0.000 0.536 696 E N -0.218 119.916 120.200 -0.110 0.000 2.329 696 E HA 0.040 4.390 4.350 0.000 0.000 0.189 696 E C 2.176 178.871 176.600 0.158 0.000 0.997 696 E CA 1.407 57.821 56.400 0.023 0.000 1.062 696 E CB -0.724 29.015 29.700 0.064 0.000 1.260 696 E HN 0.670 nan 8.360 nan 0.000 0.490 697 T N -1.251 113.416 114.554 0.188 0.000 3.081 697 T HA 0.135 4.485 4.350 0.000 0.000 0.255 697 T C 0.173 175.232 174.700 0.598 0.000 1.113 697 T CA -0.192 62.124 62.100 0.360 0.000 1.082 697 T CB -0.303 68.691 68.868 0.210 0.000 0.939 697 T HN 0.053 nan 8.240 nan 0.000 0.506 698 F N 0.501 120.530 119.950 0.132 0.000 2.147 698 F HA 0.089 4.616 4.527 0.000 0.000 0.427 698 F C -0.108 175.741 175.800 0.083 0.000 1.258 698 F CA 0.458 58.558 58.000 0.167 0.000 1.337 698 F CB -0.882 38.250 39.000 0.221 0.000 3.313 698 F HN 0.357 nan 8.300 nan 0.000 0.555 699 D N 1.117 121.574 120.400 0.094 0.000 2.706 699 D HA 0.090 4.730 4.640 0.000 0.000 0.229 699 D C -1.011 175.252 176.300 -0.061 0.000 1.145 699 D CA -0.642 53.390 54.000 0.053 0.000 0.746 699 D CB 0.989 41.839 40.800 0.084 0.000 2.093 699 D HN 0.615 nan 8.370 nan 0.000 0.473 700 E N 2.607 122.831 120.200 0.040 0.000 2.614 700 E HA 0.065 4.415 4.350 0.000 0.000 0.321 700 E C 0.598 177.228 176.600 0.050 0.000 1.354 700 E CA -0.006 56.430 56.400 0.059 0.000 1.469 700 E CB 0.309 30.075 29.700 0.111 0.000 1.197 700 E HN 0.242 nan 8.360 nan 0.000 0.497 701 I N 1.887 122.474 120.570 0.029 0.000 2.519 701 I HA 0.170 4.340 4.170 0.000 0.000 0.287 701 I C -2.141 174.012 176.117 0.060 0.000 1.047 701 I CA -2.274 59.053 61.300 0.045 0.000 1.381 701 I CB 0.688 38.713 38.000 0.042 0.000 1.417 701 I HN 0.065 nan 8.210 nan 0.000 0.540 702 P HA -0.145 nan 4.420 nan 0.000 0.263 702 P C -1.187 176.152 177.300 0.065 0.000 1.145 702 P CA 0.771 63.917 63.100 0.077 0.000 0.755 702 P CB 0.011 31.739 31.700 0.048 0.000 0.746 703 F N 3.877 123.807 119.950 -0.033 0.000 2.469 703 F HA 0.376 4.903 4.527 0.000 0.000 0.332 703 F C -0.454 175.313 175.800 -0.056 0.000 1.103 703 F CA -0.531 57.408 58.000 -0.101 0.000 0.979 703 F CB 1.427 40.465 39.000 0.064 0.000 1.137 703 F HN 0.240 nan 8.300 nan 0.000 0.463 704 D N 5.828 125.856 120.400 -0.621 0.000 2.686 704 D HA 0.182 4.822 4.640 0.000 0.000 0.249 704 D C 1.014 177.145 176.300 -0.281 0.000 1.260 704 D CA -0.393 53.431 54.000 -0.293 0.000 0.910 704 D CB 1.673 42.406 40.800 -0.112 0.000 1.323 704 D HN 0.484 nan 8.370 nan 0.000 0.561 705 V N 0.182 119.973 119.914 -0.204 0.000 2.511 705 V HA -0.373 3.747 4.120 0.000 0.000 0.257 705 V C 1.786 177.894 176.094 0.023 0.000 1.088 705 V CA 1.570 63.795 62.300 -0.124 0.000 1.098 705 V CB -0.684 31.076 31.823 -0.105 0.000 0.674 705 V HN 0.458 nan 8.190 nan 0.000 0.470 706 Q N 0.137 119.939 119.800 0.003 0.000 1.896 706 Q HA -0.091 4.249 4.340 0.000 0.000 0.205 706 Q C 2.428 178.468 176.000 0.067 0.000 0.978 706 Q CA 1.437 57.262 55.803 0.037 0.000 0.850 706 Q CB -0.398 28.348 28.738 0.014 0.000 0.908 706 Q HN 0.527 nan 8.270 nan 0.000 0.431 707 K N 0.502 120.940 120.400 0.064 0.000 2.207 707 K HA -0.206 4.114 4.320 0.000 0.000 0.208 707 K C 1.899 178.535 176.600 0.061 0.000 1.046 707 K CA 1.121 57.456 56.287 0.080 0.000 0.929 707 K CB -0.671 31.973 32.500 0.241 0.000 0.720 707 K HN 0.188 nan 8.250 nan 0.000 0.463 708 F N 0.934 120.873 119.950 -0.018 0.000 2.039 708 F HA -0.192 4.335 4.527 0.000 0.000 0.294 708 F C 2.239 178.031 175.800 -0.013 0.000 1.130 708 F CA 1.520 59.524 58.000 0.006 0.000 1.189 708 F CB -0.732 38.246 39.000 -0.036 0.000 0.983 708 F HN 0.088 nan 8.300 nan 0.000 0.471 709 A N 1.334 124.302 122.820 0.247 0.000 2.250 709 A HA -0.462 3.858 4.320 0.000 0.000 0.259 709 A C 2.104 179.655 177.584 -0.055 0.000 2.387 709 A CA 3.160 55.271 52.037 0.124 0.000 0.996 709 A CB -1.926 17.126 19.000 0.087 0.000 0.701 709 A HN 0.689 nan 8.150 nan 0.000 0.499 710 D N 0.140 120.498 120.400 -0.071 0.000 2.137 710 D HA -0.205 4.435 4.640 0.000 0.000 0.193 710 D C 1.878 178.060 176.300 -0.197 0.000 0.993 710 D CA 1.895 55.826 54.000 -0.115 0.000 0.846 710 D CB -1.133 39.611 40.800 -0.094 0.000 0.990 710 D HN 0.532 nan 8.370 nan 0.000 0.448 711 L N 0.206 121.288 121.223 -0.236 0.000 2.483 711 L HA -0.209 4.131 4.340 0.000 0.000 0.224 711 L C 2.491 179.162 176.870 -0.332 0.000 1.135 711 L CA 0.584 55.248 54.840 -0.293 0.000 0.790 711 L CB -0.275 41.555 42.059 -0.382 0.000 0.911 711 L HN 0.078 nan 8.230 nan 0.000 0.445 712 V N -1.881 117.804 119.914 -0.382 0.000 2.490 712 V HA -0.143 3.977 4.120 0.000 0.000 0.238 712 V C 2.317 178.245 176.094 -0.276 0.000 1.056 712 V CA 1.601 63.672 62.300 -0.381 0.000 1.075 712 V CB -0.258 31.240 31.823 -0.541 0.000 0.746 712 V HN 0.341 nan 8.190 nan 0.000 0.479 713 T N 1.808 116.226 114.554 -0.227 0.000 2.567 713 T HA -0.288 4.062 4.350 0.000 0.000 0.261 713 T C 1.227 175.669 174.700 -0.429 0.000 1.123 713 T CA 2.297 64.241 62.100 -0.260 0.000 1.166 713 T CB -0.513 68.263 68.868 -0.153 0.000 0.860 713 T HN 0.793 nan 8.240 nan 0.000 0.436 714 D N 0.101 120.316 120.400 -0.308 0.000 2.431 714 D HA 0.214 4.854 4.640 0.000 0.000 0.213 714 D C 0.322 176.481 176.300 -0.235 0.000 1.130 714 D CA -0.095 53.731 54.000 -0.291 0.000 0.834 714 D CB 0.297 40.973 40.800 -0.207 0.000 0.985 714 D HN 0.246 nan 8.370 nan 0.000 0.504 715 S N 1.473 117.038 115.700 -0.225 0.000 2.747 715 S HA 0.536 5.006 4.470 0.000 0.000 0.300 715 S C -2.448 172.060 174.600 -0.153 0.000 1.121 715 S CA -1.027 57.070 58.200 -0.172 0.000 0.995 715 S CB 1.828 64.931 63.200 -0.162 0.000 1.113 715 S HN 0.089 nan 8.310 nan 0.000 0.547 716 P HA 0.288 nan 4.420 nan 0.000 0.271 716 P C -0.926 176.342 177.300 -0.054 0.000 1.216 716 P CA -0.156 62.900 63.100 -0.073 0.000 0.776 716 P CB 0.520 32.187 31.700 -0.054 0.000 0.881 717 V N 3.222 123.133 119.914 -0.005 0.000 3.284 717 V HA 0.548 4.668 4.120 0.000 0.000 0.309 717 V C 0.571 176.729 176.094 0.106 0.000 1.190 717 V CA -0.937 61.401 62.300 0.064 0.000 1.038 717 V CB 1.525 33.423 31.823 0.125 0.000 1.198 717 V HN 0.423 nan 8.190 nan 0.000 0.465 718 I N 0.507 121.185 120.570 0.181 0.000 2.607 718 I HA 0.249 4.419 4.170 0.000 0.000 0.290 718 I C -0.115 176.089 176.117 0.145 0.000 1.129 718 I CA -0.400 60.968 61.300 0.113 0.000 1.042 718 I CB 2.512 40.515 38.000 0.006 0.000 1.242 718 I HN 0.664 nan 8.210 nan 0.000 0.421 719 S N 4.142 119.878 115.700 0.061 0.000 4.069 719 S HA 0.349 4.819 4.470 0.000 0.000 0.192 719 S C 0.770 175.216 174.600 -0.258 0.000 1.441 719 S CA -0.600 57.565 58.200 -0.059 0.000 0.994 719 S CB -0.145 63.057 63.200 0.003 0.000 1.456 719 S HN 0.740 nan 8.310 nan 0.000 0.458 720 A N 3.372 126.112 122.820 -0.134 0.000 2.378 720 A HA -0.055 4.265 4.320 0.000 0.000 0.304 720 A C 1.427 178.879 177.584 -0.220 0.000 0.981 720 A CA -0.053 51.910 52.037 -0.124 0.000 1.200 720 A CB -0.785 18.207 19.000 -0.013 0.000 0.776 720 A HN 0.702 nan 8.150 nan 0.000 0.414 721 I N 2.524 122.909 120.570 -0.308 0.000 2.090 721 I HA -0.154 4.016 4.170 0.000 0.000 0.236 721 I C 1.479 177.484 176.117 -0.186 0.000 1.064 721 I CA 1.622 62.710 61.300 -0.353 0.000 1.324 721 I CB -0.802 37.027 38.000 -0.286 0.000 1.044 721 I HN 0.819 nan 8.210 nan 0.000 0.399 722 I N 0.116 120.600 120.570 -0.143 0.000 2.428 722 I HA 0.311 4.481 4.170 0.000 0.000 0.296 722 I C -0.022 176.071 176.117 -0.040 0.000 0.985 722 I CA -0.711 60.537 61.300 -0.086 0.000 1.260 722 I CB 1.526 39.457 38.000 -0.115 0.000 1.389 722 I HN 0.182 nan 8.210 nan 0.000 0.484 723 D N 5.468 125.881 120.400 0.022 0.000 2.589 723 D HA 0.184 4.824 4.640 0.000 0.000 0.268 723 D C 0.723 177.116 176.300 0.155 0.000 1.182 723 D CA -0.584 53.465 54.000 0.083 0.000 1.087 723 D CB 0.996 41.883 40.800 0.145 0.000 1.186 723 D HN 0.613 nan 8.370 nan 0.000 0.620 724 F N 1.003 120.948 119.950 -0.008 0.000 1.990 724 F HA -0.264 4.263 4.527 0.000 0.000 0.297 724 F C 2.402 178.145 175.800 -0.094 0.000 1.199 724 F CA 1.057 59.041 58.000 -0.026 0.000 1.184 724 F CB 0.007 38.759 39.000 -0.413 0.000 0.956 724 F HN 0.091 nan 8.300 nan 0.000 0.503 725 K N 0.272 120.619 120.400 -0.088 0.000 2.017 725 K HA -0.339 3.981 4.320 0.000 0.000 0.229 725 K C 1.731 178.279 176.600 -0.086 0.000 1.004 725 K CA 2.940 59.118 56.287 -0.182 0.000 0.991 725 K CB -1.886 30.559 32.500 -0.092 0.000 0.773 725 K HN 0.574 nan 8.250 nan 0.000 0.453 726 T N 0.294 114.834 114.554 -0.024 0.000 2.720 726 T HA -0.178 4.172 4.350 0.000 0.000 0.268 726 T C 2.031 176.713 174.700 -0.031 0.000 1.037 726 T CA 1.498 63.579 62.100 -0.032 0.000 1.144 726 T CB -0.459 68.387 68.868 -0.037 0.000 0.864 726 T HN 0.090 nan 8.240 nan 0.000 0.444 727 L N 1.520 122.764 121.223 0.035 0.000 1.961 727 L HA 0.087 4.427 4.340 0.000 0.000 0.210 727 L C 2.743 179.606 176.870 -0.011 0.000 1.072 727 L CA 2.043 56.902 54.840 0.032 0.000 0.749 727 L CB -0.966 41.189 42.059 0.160 0.000 0.889 727 L HN 0.282 nan 8.230 nan 0.000 0.432 728 K N -0.846 119.624 120.400 0.116 0.000 2.074 728 K HA -0.256 4.064 4.320 0.000 0.000 0.209 728 K C 1.961 178.524 176.600 -0.062 0.000 1.048 728 K CA 1.976 58.271 56.287 0.013 0.000 0.926 728 K CB -0.150 32.295 32.500 -0.091 0.000 0.713 728 K HN 0.328 nan 8.250 nan 0.000 0.444 729 N N 0.466 119.129 118.700 -0.062 0.000 2.223 729 N HA -0.150 4.590 4.740 0.000 0.000 0.185 729 N C 1.485 177.047 175.510 0.087 0.000 1.016 729 N CA 0.872 53.918 53.050 -0.006 0.000 0.863 729 N CB -0.087 38.391 38.487 -0.014 0.000 0.983 729 N HN 0.174 nan 8.380 nan 0.000 0.429 730 L N 0.649 121.872 121.223 -0.001 0.000 2.044 730 L HA 0.020 4.360 4.340 0.000 0.000 0.205 730 L C 1.776 178.673 176.870 0.046 0.000 1.075 730 L CA 1.614 56.409 54.840 -0.075 0.000 0.747 730 L CB -0.955 40.976 42.059 -0.212 0.000 0.903 730 L HN 0.184 nan 8.230 nan 0.000 0.435 731 N N -0.377 118.282 118.700 -0.068 0.000 2.149 731 N HA -0.244 4.496 4.740 0.000 0.000 0.188 731 N C 1.541 177.064 175.510 0.022 0.000 1.019 731 N CA 1.709 54.699 53.050 -0.101 0.000 0.857 731 N CB -0.206 38.061 38.487 -0.366 0.000 0.997 731 N HN 0.538 nan 8.380 nan 0.000 0.426 732 D N 0.575 121.004 120.400 0.048 0.000 2.121 732 D HA -0.018 4.622 4.640 0.000 0.000 0.209 732 D C 0.590 176.923 176.300 0.054 0.000 0.981 732 D CA 0.641 54.667 54.000 0.043 0.000 0.875 732 D CB -0.352 40.453 40.800 0.009 0.000 1.016 732 D HN 0.163 nan 8.370 nan 0.000 0.452 733 N N -0.147 118.582 118.700 0.048 0.000 2.601 733 N HA -0.047 4.693 4.740 0.000 0.000 0.201 733 N C -0.024 175.190 175.510 -0.493 0.000 1.355 733 N CA 0.465 53.374 53.050 -0.236 0.000 0.880 733 N CB 0.180 38.477 38.487 -0.317 0.000 1.071 733 N HN 0.414 nan 8.380 nan 0.000 0.454 734 Y N -1.213 119.085 120.300 -0.004 0.000 2.457 734 Y HA 0.492 5.042 4.550 0.000 0.000 0.092 734 Y C 1.052 176.963 175.900 0.017 0.000 0.946 734 Y CA -0.500 57.608 58.100 0.013 0.000 1.804 734 Y CB 0.364 38.845 38.460 0.035 0.000 1.119 734 Y HN -0.063 nan 8.280 nan 0.000 0.206 735 G N 0.619 109.560 108.800 0.234 0.000 2.927 735 G HA2 0.061 4.021 3.960 0.000 0.000 0.234 735 G HA3 0.061 4.021 3.960 0.000 0.000 0.234 735 G C -1.048 173.934 174.900 0.137 0.000 3.444 735 G CA -0.791 44.389 45.100 0.133 0.000 0.715 735 G HN 0.289 nan 8.290 nan 0.000 0.422 736 I N 3.191 123.843 120.570 0.138 0.000 2.755 736 I HA 0.038 4.208 4.170 0.000 0.000 0.303 736 I C 1.558 177.775 176.117 0.166 0.000 1.168 736 I CA 0.289 61.688 61.300 0.166 0.000 1.588 736 I CB -0.274 37.794 38.000 0.114 0.000 1.509 736 I HN 0.573 nan 8.210 nan 0.000 0.734 737 S N 5.308 121.101 115.700 0.155 0.000 2.574 737 S HA -0.104 4.366 4.470 0.000 0.000 0.302 737 S C 1.421 176.111 174.600 0.151 0.000 1.270 737 S CA -0.161 58.118 58.200 0.132 0.000 1.040 737 S CB 0.641 63.908 63.200 0.113 0.000 0.767 737 S HN 0.614 nan 8.310 nan 0.000 0.494 738 R N 1.204 121.783 120.500 0.131 0.000 2.103 738 R HA -0.203 4.137 4.340 0.000 0.000 0.242 738 R C 2.495 178.885 176.300 0.150 0.000 1.142 738 R CA 1.813 57.998 56.100 0.142 0.000 0.960 738 R CB -0.598 29.758 30.300 0.093 0.000 0.858 738 R HN 0.851 nan 8.270 nan 0.000 0.439 739 Q N 1.484 121.354 119.800 0.116 0.000 1.956 739 Q HA -0.241 4.099 4.340 0.000 0.000 0.208 739 Q C 1.896 178.002 176.000 0.176 0.000 0.998 739 Q CA 2.085 57.959 55.803 0.119 0.000 0.855 739 Q CB -0.419 28.372 28.738 0.087 0.000 0.928 739 Q HN 0.364 nan 8.270 nan 0.000 0.418 740 Q N -0.036 119.865 119.800 0.168 0.000 1.906 740 Q HA -0.285 4.055 4.340 0.000 0.000 0.221 740 Q C 2.054 178.142 176.000 0.147 0.000 1.021 740 Q CA 1.925 57.834 55.803 0.177 0.000 0.880 740 Q CB -0.776 28.108 28.738 0.244 0.000 0.966 740 Q HN 0.555 nan 8.270 nan 0.000 0.418 741 A N 1.105 124.023 122.820 0.164 0.000 1.920 741 A HA -0.320 4.000 4.320 0.000 0.000 0.229 741 A C 1.899 179.547 177.584 0.107 0.000 1.516 741 A CA 2.338 54.479 52.037 0.174 0.000 0.714 741 A CB -1.497 17.688 19.000 0.307 0.000 0.845 741 A HN 0.556 nan 8.150 nan 0.000 0.493 742 F N 0.970 120.933 119.950 0.021 0.000 2.271 742 F HA -0.251 4.276 4.527 0.000 0.000 0.302 742 F C 1.783 177.566 175.800 -0.028 0.000 1.063 742 F CA 2.228 60.216 58.000 -0.019 0.000 1.362 742 F CB -0.254 38.740 39.000 -0.010 0.000 1.060 742 F HN 0.345 nan 8.300 nan 0.000 0.521 743 N N -0.100 118.595 118.700 -0.008 0.000 2.349 743 N HA 0.057 4.797 4.740 0.000 0.000 0.180 743 N C 1.619 177.040 175.510 -0.148 0.000 1.024 743 N CA 0.872 53.875 53.050 -0.079 0.000 0.869 743 N CB -0.467 38.038 38.487 0.030 0.000 1.022 743 N HN 0.219 nan 8.380 nan 0.000 0.433 744 L N 0.739 121.887 121.223 -0.124 0.000 2.661 744 L HA -0.119 4.221 4.340 0.000 0.000 0.236 744 L C 1.255 178.017 176.870 -0.179 0.000 1.176 744 L CA 0.602 55.337 54.840 -0.173 0.000 0.836 744 L CB -0.368 41.575 42.059 -0.192 0.000 0.960 744 L HN 0.240 nan 8.230 nan 0.000 0.455 745 L N -1.489 119.602 121.223 -0.220 0.000 2.347 745 L HA 0.054 4.394 4.340 0.000 0.000 0.196 745 L C 2.260 178.987 176.870 -0.239 0.000 1.072 745 L CA -0.003 54.688 54.840 -0.249 0.000 0.817 745 L CB -0.379 41.483 42.059 -0.328 0.000 1.029 745 L HN 0.104 nan 8.230 nan 0.000 0.478 746 R N 0.791 121.121 120.500 -0.284 0.000 2.377 746 R HA -0.067 4.273 4.340 0.000 0.000 0.207 746 R C 0.918 177.124 176.300 -0.157 0.000 1.075 746 R CA 0.724 56.694 56.100 -0.217 0.000 1.035 746 R CB -0.952 29.214 30.300 -0.223 0.000 0.857 746 R HN 0.398 nan 8.270 nan 0.000 0.475 747 S N 1.508 117.108 115.700 -0.168 0.000 3.797 747 S HA -0.163 4.307 4.470 0.000 0.000 0.374 747 S C -0.059 174.466 174.600 -0.124 0.000 0.970 747 S CA 0.558 58.664 58.200 -0.157 0.000 1.177 747 S CB -1.303 61.798 63.200 -0.166 0.000 0.891 747 S HN 0.554 nan 8.310 nan 0.000 0.491 748 D N 1.215 121.550 120.400 -0.110 0.000 2.414 748 D HA 0.216 4.856 4.640 0.000 0.000 0.242 748 D C -0.805 175.459 176.300 -0.060 0.000 1.129 748 D CA -1.315 52.644 54.000 -0.069 0.000 0.885 748 D CB 1.076 41.850 40.800 -0.044 0.000 1.198 748 D HN 0.259 nan 8.370 nan 0.000 0.437 749 P HA -0.071 nan 4.420 nan 0.000 0.210 749 P C 1.304 178.596 177.300 -0.013 0.000 1.191 749 P CA 1.064 64.145 63.100 -0.032 0.000 0.917 749 P CB 0.225 31.914 31.700 -0.019 0.000 0.778 750 R N -0.333 120.171 120.500 0.006 0.000 2.507 750 R HA -0.185 4.155 4.340 0.000 0.000 0.197 750 R C 2.042 178.375 176.300 0.055 0.000 0.952 750 R CA 2.195 58.313 56.100 0.030 0.000 0.778 750 R CB -1.866 28.456 30.300 0.037 0.000 0.719 750 R HN -0.064 nan 8.270 nan 0.000 0.447 751 V N 1.132 121.089 119.914 0.072 0.000 2.352 751 V HA -0.325 3.795 4.120 0.000 0.000 0.266 751 V C 2.226 178.388 176.094 0.113 0.000 1.117 751 V CA 2.224 64.603 62.300 0.131 0.000 1.109 751 V CB -0.751 31.120 31.823 0.079 0.000 0.705 751 V HN 0.363 nan 8.190 nan 0.000 0.455 752 L N 0.173 121.391 121.223 -0.009 0.000 2.049 752 L HA -0.057 4.283 4.340 0.000 0.000 0.203 752 L C 2.620 179.516 176.870 0.044 0.000 1.074 752 L CA 2.371 57.169 54.840 -0.071 0.000 0.749 752 L CB -0.863 41.132 42.059 -0.108 0.000 0.907 752 L HN 0.301 nan 8.230 nan 0.000 0.439 753 R N -0.473 120.051 120.500 0.039 0.000 2.119 753 R HA -0.213 4.127 4.340 0.000 0.000 0.246 753 R C 1.928 178.285 176.300 0.095 0.000 1.146 753 R CA 1.675 57.804 56.100 0.048 0.000 0.962 753 R CB -0.264 30.053 30.300 0.029 0.000 0.863 753 R HN 0.424 nan 8.270 nan 0.000 0.442 754 E N 0.552 120.839 120.200 0.145 0.000 1.987 754 E HA -0.237 4.113 4.350 0.000 0.000 0.214 754 E C 1.819 178.510 176.600 0.152 0.000 1.012 754 E CA 1.724 58.205 56.400 0.135 0.000 0.881 754 E CB -0.954 28.848 29.700 0.170 0.000 0.806 754 E HN 0.216 nan 8.360 nan 0.000 0.516 755 F N 0.999 120.931 119.950 -0.029 0.000 2.132 755 F HA -0.299 4.228 4.527 0.000 0.000 0.294 755 F C 2.653 178.430 175.800 -0.038 0.000 1.157 755 F CA 1.797 59.773 58.000 -0.041 0.000 1.258 755 F CB -1.474 37.486 39.000 -0.066 0.000 0.927 755 F HN 0.176 nan 8.300 nan 0.000 0.535 756 I N -0.071 120.611 120.570 0.186 0.000 2.227 756 I HA -0.426 3.744 4.170 0.000 0.000 0.250 756 I C 2.414 178.559 176.117 0.047 0.000 1.087 756 I CA 2.303 63.648 61.300 0.076 0.000 1.352 756 I CB -0.339 37.683 38.000 0.036 0.000 1.043 756 I HN 0.371 nan 8.210 nan 0.000 0.425 757 N N 0.048 118.776 118.700 0.047 0.000 2.290 757 N HA -0.188 4.552 4.740 0.000 0.000 0.179 757 N C 1.768 177.281 175.510 0.005 0.000 1.016 757 N CA 1.382 54.445 53.050 0.022 0.000 0.871 757 N CB 0.019 38.518 38.487 0.021 0.000 0.987 757 N HN 0.470 nan 8.380 nan 0.000 0.431 758 Q N 1.000 120.796 119.800 -0.007 0.000 1.922 758 Q HA 0.068 4.408 4.340 0.000 0.000 0.224 758 Q C 1.270 177.246 176.000 -0.040 0.000 0.973 758 Q CA 1.362 57.139 55.803 -0.043 0.000 0.858 758 Q CB -0.526 28.151 28.738 -0.103 0.000 0.910 758 Q HN 0.211 nan 8.270 nan 0.000 0.456 759 D N 0.751 121.108 120.400 -0.072 0.000 2.182 759 D HA -0.218 4.422 4.640 0.000 0.000 0.193 759 D C 0.248 176.559 176.300 0.018 0.000 0.999 759 D CA 1.852 55.829 54.000 -0.039 0.000 0.850 759 D CB -0.280 40.472 40.800 -0.079 0.000 0.994 759 D HN 0.489 nan 8.370 nan 0.000 0.450 760 N N -0.693 118.029 118.700 0.037 0.000 2.993 760 N HA -0.092 4.648 4.740 0.000 0.000 0.207 760 N C -1.944 173.598 175.510 0.053 0.000 0.916 760 N CA 0.756 53.830 53.050 0.040 0.000 1.033 760 N CB -1.901 36.603 38.487 0.029 0.000 1.028 760 N HN 0.328 nan 8.380 nan 0.000 0.565 761 P HA 0.112 nan 4.420 nan 0.000 0.323 761 P C 1.780 179.105 177.300 0.042 0.000 1.435 761 P CA -0.261 62.910 63.100 0.118 0.000 0.853 761 P CB 0.171 32.016 31.700 0.242 0.000 2.066 762 I N -0.288 120.293 120.570 0.018 0.000 2.109 762 I HA -0.342 3.828 4.170 0.000 0.000 0.233 762 I C 2.703 178.792 176.117 -0.047 0.000 1.005 762 I CA 1.927 63.213 61.300 -0.022 0.000 1.294 762 I CB -1.181 36.771 38.000 -0.081 0.000 1.005 762 I HN 0.100 nan 8.210 nan 0.000 0.392 763 I N 0.085 120.599 120.570 -0.093 0.000 2.317 763 I HA -0.412 3.758 4.170 0.000 0.000 0.252 763 I C 2.131 178.223 176.117 -0.042 0.000 1.018 763 I CA 1.637 62.891 61.300 -0.077 0.000 1.330 763 I CB -0.774 37.193 38.000 -0.054 0.000 1.014 763 I HN 0.329 nan 8.210 nan 0.000 0.439 764 R N 1.124 121.613 120.500 -0.018 0.000 2.340 764 R HA -0.000 4.340 4.340 0.000 0.000 0.215 764 R C 0.822 177.114 176.300 -0.012 0.000 1.017 764 R CA 0.329 56.423 56.100 -0.010 0.000 1.111 764 R CB -0.253 30.050 30.300 0.004 0.000 1.049 764 R HN 0.626 nan 8.270 nan 0.000 0.490 765 N N -0.357 118.332 118.700 -0.018 0.000 2.559 765 N HA -0.046 4.694 4.740 0.000 0.000 0.247 765 N C 1.509 177.007 175.510 -0.020 0.000 1.063 765 N CA -0.012 53.029 53.050 -0.014 0.000 0.876 765 N CB -0.307 38.176 38.487 -0.008 0.000 1.608 765 N HN -0.033 nan 8.380 nan 0.000 0.467 766 R N 2.000 122.482 120.500 -0.028 0.000 2.105 766 R HA 0.123 4.463 4.340 0.000 0.000 0.239 766 R C 1.840 178.118 176.300 -0.036 0.000 1.135 766 R CA 1.066 57.147 56.100 -0.031 0.000 0.967 766 R CB -0.747 29.525 30.300 -0.047 0.000 0.861 766 R HN 0.268 nan 8.270 nan 0.000 0.442 767 I N -0.116 120.427 120.570 -0.044 0.000 2.130 767 I HA -0.199 3.971 4.170 0.000 0.000 0.232 767 I C 2.389 178.485 176.117 -0.036 0.000 1.064 767 I CA 1.551 62.822 61.300 -0.049 0.000 1.338 767 I CB -0.641 37.330 38.000 -0.048 0.000 1.084 767 I HN 0.340 nan 8.210 nan 0.000 0.404 768 E N 1.074 121.258 120.200 -0.028 0.000 2.113 768 E HA -0.360 3.990 4.350 0.000 0.000 0.210 768 E C 2.164 178.751 176.600 -0.023 0.000 1.040 768 E CA 2.064 58.450 56.400 -0.024 0.000 0.847 768 E CB -0.183 29.507 29.700 -0.017 0.000 0.755 768 E HN 0.436 nan 8.360 nan 0.000 0.459 769 Q N -0.044 119.746 119.800 -0.017 0.000 2.173 769 Q HA -0.225 4.115 4.340 0.000 0.000 0.208 769 Q C 2.518 178.509 176.000 -0.014 0.000 0.989 769 Q CA 1.814 57.610 55.803 -0.012 0.000 0.872 769 Q CB -0.233 28.503 28.738 -0.004 0.000 0.909 769 Q HN 0.476 nan 8.270 nan 0.000 0.420 770 L N 0.101 121.317 121.223 -0.013 0.000 2.046 770 L HA -0.219 4.121 4.340 0.000 0.000 0.208 770 L C 2.392 179.234 176.870 -0.047 0.000 1.077 770 L CA 0.984 55.819 54.840 -0.009 0.000 0.747 770 L CB -0.490 41.570 42.059 0.002 0.000 0.896 770 L HN 0.278 nan 8.230 nan 0.000 0.432 771 I N -0.524 120.014 120.570 -0.054 0.000 2.127 771 I HA -0.371 3.799 4.170 0.000 0.000 0.241 771 I C 2.697 178.760 176.117 -0.090 0.000 1.075 771 I CA 1.575 62.828 61.300 -0.078 0.000 1.334 771 I CB -0.230 37.739 38.000 -0.052 0.000 1.040 771 I HN 0.315 nan 8.210 nan 0.000 0.405 772 M N -0.346 119.221 119.600 -0.055 0.000 2.346 772 M HA -0.252 4.228 4.480 0.000 0.000 0.263 772 M C 2.176 178.444 176.300 -0.054 0.000 1.064 772 M CA 1.697 56.971 55.300 -0.044 0.000 1.083 772 M CB -0.438 32.148 32.600 -0.023 0.000 1.399 772 M HN 0.375 nan 8.290 nan 0.000 0.435 773 Q N -1.222 118.541 119.800 -0.063 0.000 2.187 773 Q HA -0.061 4.279 4.340 0.000 0.000 0.199 773 Q C 1.190 177.113 176.000 -0.128 0.000 0.957 773 Q CA 0.681 56.449 55.803 -0.058 0.000 0.857 773 Q CB 0.137 28.861 28.738 -0.023 0.000 0.929 773 Q HN 0.438 nan 8.270 nan 0.000 0.453 774 C N 1.817 120.955 119.300 -0.270 0.000 2.842 774 C HA 0.104 4.564 4.460 0.000 0.000 0.472 774 C C 1.984 176.604 174.990 -0.618 0.000 1.272 774 C CA -0.124 58.478 59.018 -0.693 0.000 1.549 774 C CB -1.688 25.434 27.740 -1.031 0.000 1.870 774 C HN 0.353 nan 8.230 nan 0.000 0.613 775 R N 0.796 121.176 120.500 -0.199 0.000 2.119 775 R HA 0.076 4.416 4.340 0.000 0.000 0.222 775 R C 1.100 177.471 176.300 0.118 0.000 1.088 775 R CA 0.623 56.709 56.100 -0.024 0.000 0.984 775 R CB -0.086 30.217 30.300 0.005 0.000 0.884 775 R HN 0.432 nan 8.270 nan 0.000 0.447 776 L N 0.000 121.336 121.223 0.188 0.000 2.949 776 L HA 0.000 4.340 4.340 0.000 0.000 0.249 776 L CA 0.000 54.981 54.840 0.234 0.000 0.813 776 L CB 0.000 42.296 42.059 0.396 0.000 0.961 776 L HN 0.000 nan 8.230 nan 0.000 0.502