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 1bka_1_A DATA FIRST_RESID 4 DATA SEQUENCE RSVQWcAVSQ PEATKcFQWQ RNMRKVRGPP VScIKRDSPI QcIQAIAENR DATA SEQUENCE ADAVTLDGGF IYEAGLAPYK LRPVAAEVYG TERQPRTHYY AVAVVKKGGS DATA SEQUENCE FQLNELQGLK ScHTGLRRTA GWNVPIGTLR PFLNWTGPPE PIEAAVARFF DATA SEQUENCE SAScVPGADK GQFPNLcRLc AGTGENKcAF SSQEPYFSYS GAFKcLRDGA DATA SEQUENCE GDVAFIREST VFEDLSDEAE RDEYELLcPD NTRKPVDKFK DcHLARVPSH DATA SEQUENCE AVVARSVNGK EDAIWNLLRQ AQEKFGKDKS PKFQLFGSPS GQKDLLFKDS DATA SEQUENCE AIGFSRVPPR IDSGLYLGSG YFTAIQNLRK SEEEVAARRA RVVWcAVGEQ DATA SEQUENCE ELRKcNQWSG LSEGSVTcSS ASTTEDcIAL VLKGEADAMS LDGGYVYTAG DATA SEQUENCE KcGLVPVLAE NYKSQQSSDP DPNcVDRPVE GYLAVAVVRR SDTSLTWNSV DATA SEQUENCE KGKKScHTAV DRTAGWNIPM GLLFNQTGSc KFDEYFSQSc APGSDPRSNL DATA SEQUENCE cALcIGDEQG ENKcVPNSNE RYYGYTGAFR cLAENAGDVA FVKDVTVLQN DATA SEQUENCE TDGNNNEAWA KDLKLADFAL LcLDGKRKPV TEARScHLAM APNHAVVSRM DATA SEQUENCE DKVERLKQVL LHQQAKFGRN GSDcPDKFcL FQSETKNLLF NDNTEcLARL DATA SEQUENCE HGKTTYEKYL GPQYVAGITN LKKcSTSPLL EAcEFLRK 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.299 176.300 -0.001 0.000 0.893 4 R CA 0.000 56.101 56.100 0.002 0.000 0.921 4 R CB 0.000 30.305 30.300 0.008 0.000 0.687 5 S N 1.223 116.920 115.700 -0.005 0.000 2.541 5 S HA 0.456 4.937 4.470 0.018 0.000 0.283 5 S C -0.253 174.348 174.600 0.002 0.000 1.196 5 S CA -0.601 57.590 58.200 -0.014 0.000 1.062 5 S CB 1.381 64.563 63.200 -0.030 0.000 1.009 5 S HN 0.383 nan 8.310 nan 0.000 0.502 6 V N 5.969 125.886 119.914 0.005 0.000 2.368 6 V HA 0.265 4.396 4.120 0.018 0.000 0.266 6 V C 0.166 176.294 176.094 0.056 0.000 1.045 6 V CA -0.341 61.988 62.300 0.049 0.000 0.899 6 V CB 0.821 32.705 31.823 0.102 0.000 1.006 6 V HN 0.845 nan 8.190 nan 0.000 0.470 7 Q N 5.143 124.984 119.800 0.068 0.000 2.402 7 Q HA 0.146 4.497 4.340 0.018 0.000 0.238 7 Q C -0.437 175.639 176.000 0.126 0.000 1.126 7 Q CA 0.019 55.863 55.803 0.069 0.000 0.904 7 Q CB 0.969 29.721 28.738 0.024 0.000 1.357 7 Q HN 0.761 nan 8.270 nan 0.000 0.491 8 W N 2.727 123.995 121.300 -0.053 0.000 2.313 8 W HA 0.286 4.956 4.660 0.017 0.000 0.328 8 W C -0.575 175.925 176.519 -0.032 0.000 1.197 8 W CA -0.905 56.439 57.345 -0.001 0.000 1.235 8 W CB 1.482 30.984 29.460 0.070 0.000 1.158 8 W HN 0.479 nan 8.180 nan 0.000 0.578 9 c N 5.530 124.011 118.600 -0.199 0.000 2.255 9 c HA 0.709 5.290 4.570 0.018 0.000 0.326 9 c C 0.370 174.463 174.090 0.005 0.000 1.258 9 c CA -0.364 55.913 56.329 -0.087 0.000 1.676 9 c CB -0.957 41.459 42.510 -0.156 0.000 2.314 9 c HN 0.570 nan 8.230 nan 0.000 0.509 10 A N 4.483 127.330 122.820 0.044 0.000 2.331 10 A HA 0.523 4.854 4.320 0.018 0.000 0.283 10 A C 0.675 178.259 177.584 0.000 0.000 1.142 10 A CA -0.046 52.014 52.037 0.038 0.000 0.812 10 A CB 0.620 19.615 19.000 -0.008 0.000 1.074 10 A HN 1.807 nan 8.150 nan 0.000 0.497 11 V N 0.543 120.457 119.914 0.001 0.000 3.177 11 V HA 0.527 4.658 4.120 0.018 0.000 0.342 11 V C 0.186 176.276 176.094 -0.006 0.000 1.379 11 V CA 0.647 62.941 62.300 -0.010 0.000 1.191 11 V CB -1.840 29.974 31.823 -0.015 0.000 1.167 11 V HN 1.533 nan 8.190 nan 0.000 0.471 12 S N -2.237 113.463 115.700 -0.000 0.000 2.645 12 S HA 0.265 4.746 4.470 0.018 0.000 0.268 12 S C 0.274 174.881 174.600 0.012 0.000 1.110 12 S CA 0.033 58.234 58.200 0.002 0.000 0.823 12 S CB 1.525 64.727 63.200 0.003 0.000 1.091 12 S HN 0.167 nan 8.310 nan 0.000 0.466 13 Q N 0.649 120.460 119.800 0.018 0.000 1.921 13 Q HA -0.007 4.344 4.340 0.018 0.000 0.208 13 Q C -0.930 175.096 176.000 0.043 0.000 0.994 13 Q CA 2.339 58.164 55.803 0.036 0.000 0.857 13 Q CB -1.268 27.490 28.738 0.032 0.000 0.925 13 Q HN 0.673 nan 8.270 nan 0.000 0.421 14 P HA -0.139 nan 4.420 nan 0.000 0.226 14 P C 0.159 177.482 177.300 0.039 0.000 1.146 14 P CA 1.392 64.519 63.100 0.045 0.000 0.773 14 P CB -0.115 31.610 31.700 0.041 0.000 0.772 15 E N -0.587 119.627 120.200 0.023 0.000 2.166 15 E HA 0.069 4.430 4.350 0.018 0.000 0.192 15 E C 2.171 178.755 176.600 -0.026 0.000 0.967 15 E CA 0.542 56.948 56.400 0.011 0.000 0.840 15 E CB -0.330 29.378 29.700 0.013 0.000 0.795 15 E HN 0.106 nan 8.360 nan 0.000 0.470 16 A N 1.157 123.951 122.820 -0.043 0.000 1.908 16 A HA -0.199 4.132 4.320 0.018 0.000 0.218 16 A C 2.325 179.776 177.584 -0.222 0.000 1.181 16 A CA 1.910 53.836 52.037 -0.186 0.000 0.627 16 A CB -0.983 17.968 19.000 -0.083 0.000 0.818 16 A HN 0.154 nan 8.150 nan 0.000 0.445 17 T N -0.150 114.427 114.554 0.038 0.000 2.544 17 T HA -0.248 4.113 4.350 0.018 0.000 0.264 17 T C 2.006 176.766 174.700 0.100 0.000 1.096 17 T CA 2.059 64.254 62.100 0.159 0.000 1.181 17 T CB -0.309 68.632 68.868 0.121 0.000 0.864 17 T HN 0.680 nan 8.240 nan 0.000 0.415 18 K N 0.221 120.660 120.400 0.064 0.000 2.059 18 K HA -0.195 4.135 4.320 0.018 0.000 0.212 18 K C 2.647 179.276 176.600 0.047 0.000 1.050 18 K CA 1.885 58.228 56.287 0.093 0.000 0.927 18 K CB -0.790 31.788 32.500 0.130 0.000 0.714 18 K HN 0.440 nan 8.250 nan 0.000 0.447 19 c N 0.554 119.151 118.600 -0.006 0.000 2.403 19 c HA -0.118 4.463 4.570 0.018 0.000 0.279 19 c C 2.284 176.280 174.090 -0.156 0.000 1.269 19 c CA 0.570 56.887 56.329 -0.019 0.000 1.774 19 c CB -1.358 41.029 42.510 -0.207 0.000 1.993 19 c HN 0.564 nan 8.230 nan 0.000 0.496 20 F N 1.570 121.512 119.950 -0.013 0.000 2.118 20 F HA -0.029 4.509 4.527 0.018 0.000 0.293 20 F C 2.683 178.383 175.800 -0.166 0.000 1.102 20 F CA 1.803 59.757 58.000 -0.077 0.000 1.247 20 F CB -1.283 37.683 39.000 -0.056 0.000 1.017 20 F HN 0.374 nan 8.300 nan 0.000 0.475 21 Q N -0.495 119.298 119.800 -0.012 0.000 2.096 21 Q HA -0.289 4.062 4.340 0.018 0.000 0.204 21 Q C 2.171 177.806 176.000 -0.609 0.000 0.982 21 Q CA 1.989 57.634 55.803 -0.263 0.000 0.850 21 Q CB -1.431 27.163 28.738 -0.240 0.000 0.901 21 Q HN 0.493 nan 8.270 nan 0.000 0.422 22 W N 2.106 122.869 121.300 -0.894 0.000 2.317 22 W HA -0.266 4.405 4.660 0.018 0.000 0.318 22 W C 2.309 178.498 176.519 -0.550 0.000 1.227 22 W CA 1.921 58.680 57.345 -0.978 0.000 1.269 22 W CB -0.866 28.352 29.460 -0.404 0.000 1.155 22 W HN 0.423 nan 8.180 nan 0.000 0.484 23 Q N 0.472 120.125 119.800 -0.245 0.000 1.943 23 Q HA -0.372 3.979 4.340 0.018 0.000 0.213 23 Q C 2.572 178.440 176.000 -0.220 0.000 1.017 23 Q CA 3.459 59.117 55.803 -0.240 0.000 0.874 23 Q CB -0.731 28.002 28.738 -0.008 0.000 0.960 23 Q HN 0.479 nan 8.270 nan 0.000 0.417 24 R N 0.049 120.453 120.500 -0.160 0.000 2.162 24 R HA -0.218 4.133 4.340 0.018 0.000 0.245 24 R C 1.482 177.694 176.300 -0.148 0.000 1.129 24 R CA 2.165 58.184 56.100 -0.135 0.000 0.940 24 R CB -1.289 28.950 30.300 -0.101 0.000 0.875 24 R HN 0.435 nan 8.270 nan 0.000 0.437 25 N N 0.057 118.622 118.700 -0.226 0.000 2.609 25 N HA -0.050 4.701 4.740 0.018 0.000 0.190 25 N C 1.350 176.835 175.510 -0.042 0.000 1.157 25 N CA 0.886 53.841 53.050 -0.158 0.000 0.918 25 N CB 0.095 38.374 38.487 -0.346 0.000 0.978 25 N HN 0.389 nan 8.380 nan 0.000 0.448 26 M N 0.818 120.370 119.600 -0.080 0.000 2.369 26 M HA -0.003 4.487 4.480 0.018 0.000 0.254 26 M C 2.177 178.493 176.300 0.027 0.000 1.136 26 M CA 1.116 56.433 55.300 0.027 0.000 1.190 26 M CB -0.855 31.687 32.600 -0.096 0.000 1.289 26 M HN 0.046 nan 8.290 nan 0.000 0.468 27 R N 1.074 121.554 120.500 -0.034 0.000 2.127 27 R HA -0.136 4.215 4.340 0.018 0.000 0.238 27 R C 1.809 178.110 176.300 0.003 0.000 1.134 27 R CA 1.608 57.695 56.100 -0.022 0.000 0.975 27 R CB -1.120 29.156 30.300 -0.041 0.000 0.865 27 R HN 0.171 nan 8.270 nan 0.000 0.447 28 K N 0.997 121.402 120.400 0.008 0.000 1.965 28 K HA -0.051 4.280 4.320 0.018 0.000 0.220 28 K C 1.656 178.290 176.600 0.056 0.000 1.046 28 K CA 2.096 58.399 56.287 0.027 0.000 0.974 28 K CB -0.622 31.906 32.500 0.045 0.000 0.738 28 K HN 0.052 nan 8.250 nan 0.000 0.444 29 V N 1.686 121.666 119.914 0.109 0.000 3.284 29 V HA -0.156 3.974 4.120 0.018 0.000 0.273 29 V C 0.695 176.837 176.094 0.080 0.000 1.178 29 V CA 1.376 63.752 62.300 0.127 0.000 1.177 29 V CB -1.048 30.930 31.823 0.257 0.000 0.793 29 V HN 0.488 nan 8.190 nan 0.000 0.536 30 R N -1.910 118.622 120.500 0.054 0.000 3.785 30 R HA -0.145 4.206 4.340 0.018 0.000 0.476 30 R C 1.034 177.350 176.300 0.028 0.000 0.905 30 R CA 1.068 57.187 56.100 0.031 0.000 1.412 30 R CB -2.182 28.133 30.300 0.024 0.000 2.077 30 R HN 0.643 nan 8.270 nan 0.000 0.504 31 G N 1.841 110.670 108.800 0.048 0.000 2.683 31 G HA2 0.381 4.352 3.960 0.018 0.000 0.260 31 G HA3 0.381 4.352 3.960 0.018 0.000 0.260 31 G C -2.120 172.786 174.900 0.010 0.000 1.238 31 G CA -0.535 44.591 45.100 0.043 0.000 0.934 31 G HN -0.007 nan 8.290 nan 0.000 0.534 32 P HA 0.183 nan 4.420 nan 0.000 0.268 32 P C -2.463 174.793 177.300 -0.074 0.000 1.208 32 P CA -0.816 62.267 63.100 -0.027 0.000 0.777 32 P CB 0.253 31.943 31.700 -0.017 0.000 0.875 33 P HA 0.251 nan 4.420 nan 0.000 0.286 33 P C -1.113 176.062 177.300 -0.208 0.000 1.261 33 P CA -0.423 62.596 63.100 -0.135 0.000 0.821 33 P CB 1.143 32.795 31.700 -0.081 0.000 1.013 34 V N 2.140 121.862 119.914 -0.321 0.000 2.531 34 V HA 0.454 4.585 4.120 0.018 0.000 0.301 34 V C -0.461 175.488 176.094 -0.242 0.000 1.034 34 V CA -0.439 61.617 62.300 -0.406 0.000 0.865 34 V CB 1.817 33.100 31.823 -0.900 0.000 0.995 34 V HN 0.773 nan 8.190 nan 0.000 0.424 35 S N 5.885 121.515 115.700 -0.116 0.000 2.462 35 S HA 0.586 5.067 4.470 0.018 0.000 0.294 35 S C -0.321 174.264 174.600 -0.025 0.000 1.144 35 S CA -0.662 57.520 58.200 -0.030 0.000 1.088 35 S CB 1.026 64.231 63.200 0.009 0.000 1.009 35 S HN 0.802 nan 8.310 nan 0.000 0.484 36 c N 3.741 122.301 118.600 -0.068 0.000 2.401 36 c HA 0.699 5.280 4.570 0.018 0.000 0.365 36 c C 0.091 174.135 174.090 -0.075 0.000 1.250 36 c CA -0.693 55.531 56.329 -0.175 0.000 2.131 36 c CB -0.761 41.263 42.510 -0.809 0.000 2.445 36 c HN 0.799 nan 8.230 nan 0.000 0.550 37 I N 2.469 123.018 120.570 -0.035 0.000 2.797 37 I HA 0.613 4.794 4.170 0.018 0.000 0.307 37 I C -0.116 175.990 176.117 -0.019 0.000 1.033 37 I CA -0.641 60.657 61.300 -0.004 0.000 1.071 37 I CB 1.442 39.443 38.000 0.001 0.000 1.255 37 I HN 0.469 nan 8.210 nan 0.000 0.445 38 K N 4.016 124.419 120.400 0.005 0.000 2.378 38 K HA 0.798 5.129 4.320 0.018 0.000 0.252 38 K C -1.232 175.369 176.600 0.002 0.000 0.931 38 K CA -0.533 55.759 56.287 0.007 0.000 0.794 38 K CB 1.533 34.053 32.500 0.033 0.000 1.181 38 K HN 0.576 nan 8.250 nan 0.000 0.425 39 R N 2.324 122.820 120.500 -0.006 0.000 2.716 39 R HA 0.245 4.596 4.340 0.018 0.000 0.271 39 R C -0.756 175.536 176.300 -0.012 0.000 1.028 39 R CA -0.769 55.324 56.100 -0.012 0.000 0.883 39 R CB 1.158 31.443 30.300 -0.024 0.000 1.250 39 R HN 0.614 nan 8.270 nan 0.000 0.465 40 D N 0.329 120.721 120.400 -0.013 0.000 2.350 40 D HA 0.044 4.695 4.640 0.018 0.000 0.213 40 D C 0.189 176.483 176.300 -0.010 0.000 1.031 40 D CA 0.821 54.813 54.000 -0.013 0.000 0.861 40 D CB 0.502 41.295 40.800 -0.012 0.000 0.926 40 D HN 0.511 nan 8.370 nan 0.000 0.520 41 S N -2.008 113.682 115.700 -0.016 0.000 2.633 41 S HA 0.235 4.716 4.470 0.018 0.000 0.271 41 S C -2.651 171.920 174.600 -0.047 0.000 1.112 41 S CA -0.988 57.206 58.200 -0.010 0.000 0.828 41 S CB 1.870 65.079 63.200 0.015 0.000 1.086 41 S HN -0.348 nan 8.310 nan 0.000 0.461 42 P HA -0.142 nan 4.420 nan 0.000 0.216 42 P C 1.622 178.863 177.300 -0.097 0.000 1.167 42 P CA 1.348 64.369 63.100 -0.131 0.000 0.914 42 P CB -0.237 31.268 31.700 -0.325 0.000 0.793 43 I N 0.063 120.596 120.570 -0.061 0.000 2.208 43 I HA -0.255 3.926 4.170 0.018 0.000 0.245 43 I C 2.540 178.579 176.117 -0.130 0.000 1.097 43 I CA 1.901 63.145 61.300 -0.094 0.000 1.363 43 I CB -1.915 36.067 38.000 -0.030 0.000 1.051 43 I HN 0.214 nan 8.210 nan 0.000 0.413 44 Q N 0.049 119.802 119.800 -0.078 0.000 2.119 44 Q HA -0.162 4.188 4.340 0.018 0.000 0.201 44 Q C 2.507 178.453 176.000 -0.090 0.000 0.972 44 Q CA 1.798 57.562 55.803 -0.065 0.000 0.847 44 Q CB -0.823 27.894 28.738 -0.035 0.000 0.903 44 Q HN 0.390 nan 8.270 nan 0.000 0.433 45 c N 1.028 119.568 118.600 -0.099 0.000 2.429 45 c HA -0.058 4.523 4.570 0.018 0.000 0.277 45 c C 2.567 176.562 174.090 -0.158 0.000 1.262 45 c CA 0.543 56.800 56.329 -0.120 0.000 1.733 45 c CB -0.835 41.603 42.510 -0.120 0.000 2.010 45 c HN 0.543 nan 8.230 nan 0.000 0.483 46 I N 0.362 120.813 120.570 -0.197 0.000 2.567 46 I HA -0.241 3.940 4.170 0.018 0.000 0.257 46 I C 2.373 178.290 176.117 -0.332 0.000 1.184 46 I CA 1.472 62.597 61.300 -0.293 0.000 1.451 46 I CB -0.481 37.271 38.000 -0.414 0.000 1.089 46 I HN 0.534 nan 8.210 nan 0.000 0.441 47 Q N 0.178 119.832 119.800 -0.242 0.000 2.376 47 Q HA 0.114 4.465 4.340 0.018 0.000 0.206 47 Q C 2.410 178.386 176.000 -0.039 0.000 0.921 47 Q CA 0.752 56.498 55.803 -0.094 0.000 0.911 47 Q CB 0.067 28.805 28.738 -0.000 0.000 1.032 47 Q HN 0.503 nan 8.270 nan 0.000 0.510 48 A N 1.745 124.525 122.820 -0.066 0.000 1.841 48 A HA -0.210 4.121 4.320 0.018 0.000 0.216 48 A C 2.044 179.600 177.584 -0.047 0.000 1.199 48 A CA 1.336 53.344 52.037 -0.048 0.000 0.621 48 A CB -0.853 18.109 19.000 -0.063 0.000 0.835 48 A HN 0.314 nan 8.150 nan 0.000 0.445 49 I N -0.267 120.256 120.570 -0.078 0.000 2.181 49 I HA -0.370 3.811 4.170 0.018 0.000 0.247 49 I C 2.664 178.761 176.117 -0.033 0.000 1.081 49 I CA 1.599 62.855 61.300 -0.074 0.000 1.340 49 I CB -0.461 37.470 38.000 -0.116 0.000 1.036 49 I HN 0.402 nan 8.210 nan 0.000 0.417 50 A N 0.467 123.287 122.820 -0.001 0.000 2.178 50 A HA -0.058 4.273 4.320 0.018 0.000 0.211 50 A C 1.480 179.087 177.584 0.039 0.000 1.157 50 A CA 0.577 52.641 52.037 0.045 0.000 0.780 50 A CB -0.338 18.749 19.000 0.146 0.000 0.828 50 A HN 0.660 nan 8.150 nan 0.000 0.476 51 E N -0.125 120.090 120.200 0.025 0.000 2.995 51 E HA 0.132 4.493 4.350 0.018 0.000 0.203 51 E C -0.902 175.701 176.600 0.005 0.000 0.980 51 E CA -0.748 55.663 56.400 0.018 0.000 1.172 51 E CB -0.727 28.988 29.700 0.025 0.000 1.088 51 E HN 0.374 nan 8.360 nan 0.000 0.463 52 N N 2.286 120.986 118.700 -0.001 0.000 2.678 52 N HA -0.212 4.539 4.740 0.018 0.000 0.268 52 N C -0.109 175.396 175.510 -0.009 0.000 1.010 52 N CA 0.667 53.712 53.050 -0.008 0.000 0.784 52 N CB -0.485 38.000 38.487 -0.003 0.000 0.905 52 N HN 0.551 nan 8.380 nan 0.000 0.552 53 R N -0.539 119.952 120.500 -0.016 0.000 2.508 53 R HA 0.500 4.851 4.340 0.018 0.000 0.300 53 R C 0.352 176.640 176.300 -0.021 0.000 0.970 53 R CA 0.188 56.280 56.100 -0.013 0.000 1.102 53 R CB 1.061 31.356 30.300 -0.010 0.000 1.246 53 R HN 0.333 nan 8.270 nan 0.000 0.539 54 A N 0.231 123.030 122.820 -0.034 0.000 2.569 54 A HA 0.280 4.611 4.320 0.018 0.000 0.292 54 A C -1.108 176.434 177.584 -0.071 0.000 1.032 54 A CA -0.773 51.234 52.037 -0.051 0.000 0.669 54 A CB 0.973 19.925 19.000 -0.080 0.000 1.290 54 A HN -0.038 nan 8.150 nan 0.000 0.422 55 D N -0.200 120.150 120.400 -0.083 0.000 2.490 55 D HA 0.440 5.090 4.640 0.018 0.000 0.244 55 D C 0.828 177.020 176.300 -0.180 0.000 0.979 55 D CA 1.644 55.594 54.000 -0.084 0.000 0.924 55 D CB 0.792 41.583 40.800 -0.015 0.000 1.075 55 D HN 0.954 nan 8.370 nan 0.000 0.488 56 A N 0.191 122.797 122.820 -0.358 0.000 2.566 56 A HA 0.673 5.004 4.320 0.018 0.000 0.292 56 A C -1.484 175.441 177.584 -1.099 0.000 1.112 56 A CA -0.573 51.063 52.037 -0.669 0.000 0.707 56 A CB 2.500 21.035 19.000 -0.775 0.000 1.302 56 A HN -0.042 nan 8.150 nan 0.000 0.409 57 V N -0.096 119.258 119.914 -0.933 0.000 3.023 57 V HA 0.649 4.780 4.120 0.018 0.000 0.294 57 V C -0.440 175.486 176.094 -0.280 0.000 1.324 57 V CA 0.353 62.236 62.300 -0.694 0.000 0.979 57 V CB 2.200 33.811 31.823 -0.352 0.000 1.093 57 V HN 1.613 nan 8.190 nan 0.000 0.434 58 T N 6.892 121.427 114.554 -0.032 0.000 2.845 58 T HA 0.785 5.146 4.350 0.018 0.000 0.288 58 T C -0.861 173.921 174.700 0.137 0.000 0.980 58 T CA -0.156 62.066 62.100 0.203 0.000 1.071 58 T CB 0.504 69.662 68.868 0.484 0.000 0.941 58 T HN 0.642 nan 8.240 nan 0.000 0.487 59 L N 2.837 124.162 121.223 0.171 0.000 2.469 59 L HA 0.460 4.811 4.340 0.018 0.000 0.256 59 L C -0.397 176.542 176.870 0.116 0.000 1.006 59 L CA -1.352 53.560 54.840 0.120 0.000 0.832 59 L CB 2.352 44.485 42.059 0.123 0.000 1.421 59 L HN 0.679 nan 8.230 nan 0.000 0.410 60 D N 0.199 120.600 120.400 0.001 0.000 2.361 60 D HA 0.169 4.820 4.640 0.018 0.000 0.239 60 D C 1.230 177.705 176.300 0.291 0.000 1.200 60 D CA 0.927 54.871 54.000 -0.094 0.000 0.915 60 D CB 1.603 42.404 40.800 0.002 0.000 1.170 60 D HN 0.615 nan 8.370 nan 0.000 0.444 61 G N 1.144 110.164 108.800 0.366 0.000 2.440 61 G HA2 -0.239 3.732 3.960 0.018 0.000 0.218 61 G HA3 -0.239 3.732 3.960 0.018 0.000 0.218 61 G C 1.428 176.575 174.900 0.412 0.000 1.154 61 G CA 0.763 46.156 45.100 0.489 0.000 0.767 61 G HN 0.615 nan 8.290 nan 0.000 0.552 62 G N 0.074 109.065 108.800 0.319 0.000 2.450 62 G HA2 -0.097 3.874 3.960 0.018 0.000 0.220 62 G HA3 -0.097 3.874 3.960 0.018 0.000 0.220 62 G C 1.486 176.233 174.900 -0.255 0.000 1.130 62 G CA 0.812 45.912 45.100 0.000 0.000 0.760 62 G HN 0.418 nan 8.290 nan 0.000 0.557 63 F N -0.035 120.037 119.950 0.203 0.000 2.582 63 F HA 0.350 4.887 4.527 0.018 0.000 0.290 63 F C 2.383 178.259 175.800 0.126 0.000 1.115 63 F CA -0.341 57.744 58.000 0.142 0.000 1.445 63 F CB -0.067 38.987 39.000 0.090 0.000 1.126 63 F HN 0.022 nan 8.300 nan 0.000 0.574 64 I N -0.660 120.088 120.570 0.297 0.000 2.264 64 I HA -0.349 3.832 4.170 0.018 0.000 0.248 64 I C 2.432 178.660 176.117 0.185 0.000 1.111 64 I CA 1.439 62.853 61.300 0.189 0.000 1.382 64 I CB -0.508 37.597 38.000 0.176 0.000 1.060 64 I HN 0.144 nan 8.210 nan 0.000 0.418 65 Y N 2.312 122.679 120.300 0.112 0.000 2.049 65 Y HA -0.319 4.241 4.550 0.018 0.000 0.277 65 Y C 2.560 178.506 175.900 0.076 0.000 1.143 65 Y CA 1.810 59.973 58.100 0.105 0.000 1.115 65 Y CB -0.397 38.077 38.460 0.022 0.000 0.975 65 Y HN 0.101 nan 8.280 nan 0.000 0.487 66 E N 0.609 120.799 120.200 -0.016 0.000 2.048 66 E HA -0.311 4.050 4.350 0.018 0.000 0.202 66 E C 2.415 178.987 176.600 -0.047 0.000 1.021 66 E CA 1.589 57.934 56.400 -0.093 0.000 0.825 66 E CB -1.236 28.473 29.700 0.015 0.000 0.756 66 E HN 0.581 nan 8.360 nan 0.000 0.454 67 A N 0.799 123.625 122.820 0.009 0.000 2.084 67 A HA -0.108 4.223 4.320 0.018 0.000 0.221 67 A C 2.356 179.958 177.584 0.030 0.000 1.161 67 A CA 1.901 53.940 52.037 0.002 0.000 0.653 67 A CB -0.842 18.163 19.000 0.008 0.000 0.802 67 A HN 0.335 nan 8.150 nan 0.000 0.457 68 G N -1.018 107.768 108.800 -0.022 0.000 2.623 68 G HA2 0.294 4.265 3.960 0.018 0.000 0.214 68 G HA3 0.294 4.265 3.960 0.018 0.000 0.214 68 G C 0.615 175.493 174.900 -0.037 0.000 1.138 68 G CA -0.182 44.904 45.100 -0.024 0.000 0.794 68 G HN 0.416 nan 8.290 nan 0.000 0.535 69 L N 1.131 122.311 121.223 -0.072 0.000 2.436 69 L HA 0.487 4.838 4.340 0.018 0.000 0.265 69 L C 1.088 177.936 176.870 -0.037 0.000 1.168 69 L CA -0.879 53.916 54.840 -0.074 0.000 0.815 69 L CB 0.868 42.848 42.059 -0.132 0.000 1.109 69 L HN 0.098 nan 8.230 nan 0.000 0.462 70 A N 3.987 126.747 122.820 -0.101 0.000 2.507 70 A HA 0.217 4.548 4.320 0.018 0.000 0.235 70 A C -1.420 175.954 177.584 -0.349 0.000 1.070 70 A CA -0.707 51.233 52.037 -0.162 0.000 0.768 70 A CB -0.256 18.671 19.000 -0.121 0.000 1.011 70 A HN 0.697 nan 8.150 nan 0.000 0.502 71 P HA -0.013 nan 4.420 nan 0.000 0.245 71 P C 0.488 177.631 177.300 -0.263 0.000 1.203 71 P CA 0.746 63.618 63.100 -0.380 0.000 0.792 71 P CB 0.047 31.500 31.700 -0.412 0.000 0.997 72 Y N 2.155 122.432 120.300 -0.039 0.000 2.070 72 Y HA -0.141 4.419 4.550 0.018 0.000 0.279 72 Y C 1.264 177.139 175.900 -0.042 0.000 1.134 72 Y CA 1.061 59.138 58.100 -0.039 0.000 1.113 72 Y CB -1.629 36.807 38.460 -0.041 0.000 0.981 72 Y HN -0.077 nan 8.280 nan 0.000 0.487 73 K N -0.527 119.968 120.400 0.158 0.000 3.096 73 K HA -0.185 4.145 4.320 0.018 0.000 0.266 73 K C -0.685 175.934 176.600 0.032 0.000 1.043 73 K CA 0.467 56.788 56.287 0.057 0.000 0.758 73 K CB -2.581 29.925 32.500 0.011 0.000 1.260 73 K HN 0.251 nan 8.250 nan 0.000 0.481 74 L N -0.061 121.183 121.223 0.035 0.000 2.476 74 L HA 0.293 4.644 4.340 0.018 0.000 0.264 74 L C 1.013 177.867 176.870 -0.027 0.000 1.224 74 L CA -0.189 54.645 54.840 -0.010 0.000 0.821 74 L CB 0.554 42.593 42.059 -0.033 0.000 1.101 74 L HN 0.372 nan 8.230 nan 0.000 0.488 75 R N 1.699 122.169 120.500 -0.050 0.000 2.621 75 R HA 0.447 4.798 4.340 0.018 0.000 0.284 75 R C -2.819 173.421 176.300 -0.101 0.000 0.998 75 R CA -1.771 54.286 56.100 -0.071 0.000 0.895 75 R CB 2.431 32.693 30.300 -0.063 0.000 1.195 75 R HN 0.202 nan 8.270 nan 0.000 0.450 76 P HA -0.001 nan 4.420 nan 0.000 0.271 76 P C 0.378 177.579 177.300 -0.165 0.000 1.220 76 P CA -0.245 62.725 63.100 -0.217 0.000 0.768 76 P CB 1.222 32.622 31.700 -0.500 0.000 0.848 77 V N 0.785 120.638 119.914 -0.102 0.000 3.570 77 V HA 0.655 4.786 4.120 0.018 0.000 0.257 77 V C 0.417 176.461 176.094 -0.084 0.000 1.272 77 V CA 0.517 62.761 62.300 -0.093 0.000 1.079 77 V CB -0.293 31.513 31.823 -0.028 0.000 0.829 77 V HN 0.478 nan 8.190 nan 0.000 0.454 78 A N 0.237 123.071 122.820 0.024 0.000 2.455 78 A HA 0.935 5.266 4.320 0.018 0.000 0.300 78 A C -0.469 177.262 177.584 0.245 0.000 1.040 78 A CA -0.032 52.096 52.037 0.152 0.000 0.697 78 A CB 1.618 20.815 19.000 0.329 0.000 1.265 78 A HN 1.333 nan 8.150 nan 0.000 0.407 79 A N 1.879 124.907 122.820 0.346 0.000 2.304 79 A HA 0.654 4.984 4.320 0.018 0.000 0.323 79 A C -0.013 177.756 177.584 0.308 0.000 1.195 79 A CA -0.524 51.738 52.037 0.376 0.000 0.826 79 A CB 0.176 19.493 19.000 0.528 0.000 1.184 79 A HN 0.826 nan 8.150 nan 0.000 0.496 80 E N 0.786 121.117 120.200 0.218 0.000 2.437 80 E HA 0.269 4.630 4.350 0.018 0.000 0.263 80 E C -0.640 175.647 176.600 -0.522 0.000 1.030 80 E CA 0.095 56.434 56.400 -0.102 0.000 0.934 80 E CB 0.751 30.381 29.700 -0.116 0.000 0.943 80 E HN 0.347 nan 8.360 nan 0.000 0.444 81 V N 3.322 122.921 119.914 -0.524 0.000 2.581 81 V HA 0.328 4.459 4.120 0.018 0.000 0.303 81 V C -0.899 174.884 176.094 -0.517 0.000 1.041 81 V CA -0.618 61.392 62.300 -0.483 0.000 0.907 81 V CB 0.699 32.372 31.823 -0.250 0.000 0.994 81 V HN 0.507 nan 8.190 nan 0.000 0.442 82 Y N 1.194 121.359 120.300 -0.224 0.000 2.686 82 Y HA 0.897 5.457 4.550 0.018 0.000 0.330 82 Y C 0.913 176.687 175.900 -0.210 0.000 1.082 82 Y CA -0.324 57.626 58.100 -0.251 0.000 1.158 82 Y CB 1.192 39.503 38.460 -0.248 0.000 1.333 82 Y HN 0.929 nan 8.280 nan 0.000 0.519 83 G N 0.321 109.121 108.800 0.000 0.000 2.520 83 G HA2 0.002 3.973 3.960 0.018 0.000 0.248 83 G HA3 0.002 3.973 3.960 0.018 0.000 0.248 83 G C -0.336 174.522 174.900 -0.070 0.000 1.161 83 G CA -0.149 44.923 45.100 -0.047 0.000 0.946 83 G HN 1.268 nan 8.290 nan 0.000 0.565 84 T N -2.659 111.858 114.554 -0.062 0.000 2.901 84 T HA 0.698 5.059 4.350 0.018 0.000 0.293 84 T C 0.772 175.437 174.700 -0.059 0.000 1.084 84 T CA 0.516 62.578 62.100 -0.064 0.000 1.008 84 T CB 2.205 71.041 68.868 -0.053 0.000 1.170 84 T HN 0.584 nan 8.240 nan 0.000 0.509 85 E N 0.393 120.559 120.200 -0.057 0.000 2.171 85 E HA -0.074 4.287 4.350 0.018 0.000 0.197 85 E C 2.678 179.256 176.600 -0.035 0.000 0.997 85 E CA 2.191 58.562 56.400 -0.048 0.000 0.810 85 E CB -0.578 29.096 29.700 -0.043 0.000 0.738 85 E HN 0.730 nan 8.360 nan 0.000 0.467 86 R N 1.351 121.832 120.500 -0.033 0.000 2.062 86 R HA -0.016 4.334 4.340 0.018 0.000 0.231 86 R C 1.399 177.687 176.300 -0.021 0.000 1.136 86 R CA 1.881 57.966 56.100 -0.024 0.000 0.948 86 R CB -1.147 29.139 30.300 -0.023 0.000 0.845 86 R HN 0.535 nan 8.270 nan 0.000 0.430 87 Q N 0.476 120.261 119.800 -0.025 0.000 3.064 87 Q HA 0.409 4.760 4.340 0.018 0.000 0.258 87 Q C -2.887 173.094 176.000 -0.031 0.000 0.972 87 Q CA -2.187 53.605 55.803 -0.018 0.000 0.761 87 Q CB 2.361 31.097 28.738 -0.004 0.000 1.281 87 Q HN 0.304 nan 8.270 nan 0.000 0.455 88 P HA 0.368 nan 4.420 nan 0.000 0.287 88 P C -0.979 176.262 177.300 -0.097 0.000 1.270 88 P CA -0.428 62.628 63.100 -0.074 0.000 0.844 88 P CB 1.500 33.154 31.700 -0.077 0.000 1.068 89 R N -0.716 119.695 120.500 -0.148 0.000 2.774 89 R HA 0.655 5.006 4.340 0.018 0.000 0.272 89 R C -0.380 175.752 176.300 -0.279 0.000 1.000 89 R CA -0.800 55.153 56.100 -0.245 0.000 0.906 89 R CB 0.443 30.478 30.300 -0.442 0.000 1.227 89 R HN 0.359 nan 8.270 nan 0.000 0.468 90 T N -1.622 112.777 114.554 -0.258 0.000 3.275 90 T HA 0.282 4.643 4.350 0.018 0.000 0.265 90 T C -0.045 174.614 174.700 -0.069 0.000 0.978 90 T CA -0.487 61.497 62.100 -0.193 0.000 0.923 90 T CB -0.847 67.916 68.868 -0.175 0.000 1.126 90 T HN 0.774 nan 8.240 nan 0.000 0.538 91 H N -0.995 118.068 119.070 -0.010 0.000 3.014 91 H HA 0.541 5.107 4.556 0.017 0.000 0.337 91 H C -1.822 173.543 175.328 0.061 0.000 1.320 91 H CA -1.227 54.789 56.048 -0.053 0.000 1.128 91 H CB 0.876 30.481 29.762 -0.262 0.000 1.862 91 H HN 0.268 nan 8.280 nan 0.000 0.536 92 Y N -0.858 119.425 120.300 -0.028 0.000 2.677 92 Y HA 0.661 5.221 4.550 0.017 0.000 0.334 92 Y C -1.993 173.661 175.900 -0.411 0.000 1.154 92 Y CA -1.597 56.392 58.100 -0.185 0.000 1.070 92 Y CB 0.982 39.335 38.460 -0.178 0.000 1.294 92 Y HN 0.496 nan 8.280 nan 0.000 0.475 93 Y N 0.812 121.132 120.300 0.032 0.000 2.335 93 Y HA 0.717 5.277 4.550 0.017 0.000 0.338 93 Y C -0.024 175.895 175.900 0.032 0.000 0.977 93 Y CA -1.180 56.870 58.100 -0.083 0.000 1.114 93 Y CB 1.988 40.422 38.460 -0.043 0.000 1.182 93 Y HN 0.882 nan 8.280 nan 0.000 0.463 94 A N 3.999 126.891 122.820 0.120 0.000 2.343 94 A HA 0.608 4.939 4.320 0.018 0.000 0.305 94 A C -0.229 177.499 177.584 0.239 0.000 1.308 94 A CA -0.494 51.649 52.037 0.176 0.000 0.949 94 A CB -0.650 18.391 19.000 0.068 0.000 1.148 94 A HN 0.670 nan 8.150 nan 0.000 0.545 95 V N -0.171 119.883 119.914 0.233 0.000 2.994 95 V HA 0.934 5.065 4.120 0.018 0.000 0.318 95 V C 0.194 176.420 176.094 0.220 0.000 1.085 95 V CA -0.580 61.852 62.300 0.219 0.000 0.998 95 V CB 1.617 33.538 31.823 0.164 0.000 1.063 95 V HN 1.317 nan 8.190 nan 0.000 0.447 96 A N 2.756 125.698 122.820 0.203 0.000 2.277 96 A HA 0.769 5.100 4.320 0.018 0.000 0.318 96 A C -0.524 177.083 177.584 0.038 0.000 1.339 96 A CA -0.538 51.607 52.037 0.180 0.000 0.875 96 A CB 0.625 19.820 19.000 0.324 0.000 1.158 96 A HN 1.274 nan 8.150 nan 0.000 0.514 97 V N 3.735 123.615 119.914 -0.056 0.000 2.370 97 V HA 0.609 4.740 4.120 0.018 0.000 0.283 97 V C 0.344 176.438 176.094 0.001 0.000 1.023 97 V CA -0.533 61.739 62.300 -0.047 0.000 0.857 97 V CB 0.860 32.601 31.823 -0.136 0.000 0.985 97 V HN 0.933 nan 8.190 nan 0.000 0.443 98 V N 1.915 121.866 119.914 0.061 0.000 3.046 98 V HA 0.694 4.825 4.120 0.018 0.000 0.316 98 V C -0.288 175.906 176.094 0.166 0.000 1.104 98 V CA -1.156 61.206 62.300 0.103 0.000 1.006 98 V CB 1.942 33.760 31.823 -0.008 0.000 1.058 98 V HN 0.754 nan 8.190 nan 0.000 0.440 99 K N 1.179 121.652 120.400 0.122 0.000 2.126 99 K HA 0.463 4.794 4.320 0.018 0.000 0.257 99 K C -0.402 176.113 176.600 -0.141 0.000 1.007 99 K CA -0.647 55.608 56.287 -0.053 0.000 0.928 99 K CB 1.005 33.443 32.500 -0.103 0.000 1.013 99 K HN 0.710 nan 8.250 nan 0.000 0.473 100 K N -0.244 120.035 120.400 -0.202 0.000 2.087 100 K HA 0.402 4.733 4.320 0.018 0.000 0.255 100 K C 0.714 177.229 176.600 -0.141 0.000 0.988 100 K CA -0.333 55.855 56.287 -0.164 0.000 0.915 100 K CB 1.222 33.635 32.500 -0.146 0.000 1.043 100 K HN 0.831 nan 8.250 nan 0.000 0.457 101 G N 0.161 108.887 108.800 -0.123 0.000 2.617 101 G HA2 -0.140 3.831 3.960 0.018 0.000 0.197 101 G HA3 -0.140 3.831 3.960 0.018 0.000 0.197 101 G C 0.337 175.190 174.900 -0.079 0.000 1.017 101 G CA -0.359 44.688 45.100 -0.088 0.000 0.713 101 G HN 0.864 nan 8.290 nan 0.000 0.481 102 G N -0.352 108.378 108.800 -0.116 0.000 2.521 102 G HA2 0.613 4.584 3.960 0.018 0.000 0.323 102 G HA3 0.613 4.584 3.960 0.018 0.000 0.323 102 G C -0.483 174.286 174.900 -0.219 0.000 1.211 102 G CA 0.368 45.399 45.100 -0.115 0.000 0.979 102 G HN 1.028 nan 8.290 nan 0.000 0.490 103 S N -0.118 115.479 115.700 -0.173 0.000 2.609 103 S HA 0.502 4.983 4.470 0.018 0.000 0.250 103 S C -1.222 173.351 174.600 -0.046 0.000 1.112 103 S CA -0.559 57.533 58.200 -0.180 0.000 1.102 103 S CB 0.380 63.539 63.200 -0.068 0.000 1.124 103 S HN 0.732 nan 8.310 nan 0.000 0.460 104 F N 0.045 119.999 119.950 0.007 0.000 2.613 104 F HA 0.834 5.372 4.527 0.018 0.000 0.314 104 F C -0.419 175.390 175.800 0.016 0.000 1.075 104 F CA -1.052 56.953 58.000 0.009 0.000 0.945 104 F CB 0.853 39.857 39.000 0.007 0.000 1.310 104 F HN 0.191 nan 8.300 nan 0.000 0.467 105 Q N 0.869 120.852 119.800 0.305 0.000 2.712 105 Q HA 0.378 4.729 4.340 0.018 0.000 0.267 105 Q C 0.624 176.765 176.000 0.236 0.000 1.062 105 Q CA -0.959 54.962 55.803 0.196 0.000 0.888 105 Q CB 1.861 30.667 28.738 0.113 0.000 1.374 105 Q HN 0.903 nan 8.270 nan 0.000 0.498 106 L N 2.097 123.425 121.223 0.176 0.000 2.447 106 L HA -0.204 4.147 4.340 0.018 0.000 0.225 106 L C 1.320 178.198 176.870 0.014 0.000 1.148 106 L CA 1.674 56.608 54.840 0.156 0.000 0.808 106 L CB -0.397 41.756 42.059 0.157 0.000 0.928 106 L HN 0.563 nan 8.230 nan 0.000 0.448 107 N N -1.381 117.313 118.700 -0.009 0.000 2.388 107 N HA -0.081 4.670 4.740 0.018 0.000 0.176 107 N C 0.890 176.272 175.510 -0.214 0.000 1.062 107 N CA 0.456 53.383 53.050 -0.206 0.000 0.895 107 N CB -0.328 38.210 38.487 0.085 0.000 1.018 107 N HN 0.423 nan 8.380 nan 0.000 0.456 108 E N 0.496 120.665 120.200 -0.052 0.000 2.311 108 E HA 0.226 4.587 4.350 0.018 0.000 0.198 108 E C 0.817 177.319 176.600 -0.164 0.000 1.115 108 E CA -0.174 56.194 56.400 -0.053 0.000 1.140 108 E CB 0.054 29.796 29.700 0.070 0.000 1.204 108 E HN 0.319 nan 8.360 nan 0.000 0.446 109 L N 0.279 121.413 121.223 -0.148 0.000 2.375 109 L HA 0.021 4.372 4.340 0.018 0.000 0.215 109 L C 1.385 177.943 176.870 -0.520 0.000 1.108 109 L CA 0.116 54.862 54.840 -0.157 0.000 0.830 109 L CB -0.078 42.117 42.059 0.227 0.000 0.959 109 L HN 0.289 nan 8.230 nan 0.000 0.457 110 Q N 0.693 120.014 119.800 -0.799 0.000 2.368 110 Q HA -0.015 4.336 4.340 0.018 0.000 0.331 110 Q C 1.239 176.723 176.000 -0.860 0.000 1.086 110 Q CA 1.183 56.012 55.803 -1.624 0.000 1.031 110 Q CB 0.418 28.692 28.738 -0.773 0.000 1.125 110 Q HN 0.410 nan 8.270 nan 0.000 0.389 111 G N 2.654 111.000 108.800 -0.756 0.000 2.458 111 G HA2 -0.312 3.659 3.960 0.018 0.000 0.237 111 G HA3 -0.312 3.659 3.960 0.018 0.000 0.237 111 G C -0.124 174.683 174.900 -0.155 0.000 1.113 111 G CA 0.198 45.109 45.100 -0.314 0.000 0.655 111 G HN 0.560 nan 8.290 nan 0.000 0.513 112 L N 1.116 122.240 121.223 -0.166 0.000 2.456 112 L HA 0.433 4.784 4.340 0.018 0.000 0.266 112 L C 1.143 178.094 176.870 0.136 0.000 1.258 112 L CA 0.710 55.511 54.840 -0.064 0.000 0.823 112 L CB 0.159 42.069 42.059 -0.249 0.000 1.100 112 L HN 0.362 nan 8.230 nan 0.000 0.531 113 K N -0.099 120.328 120.400 0.044 0.000 2.159 113 K HA 0.542 4.873 4.320 0.018 0.000 0.266 113 K C -0.602 175.946 176.600 -0.086 0.000 0.975 113 K CA -0.451 55.856 56.287 0.035 0.000 0.865 113 K CB 1.492 34.005 32.500 0.023 0.000 1.087 113 K HN 0.701 nan 8.250 nan 0.000 0.446 114 S N 0.610 116.186 115.700 -0.207 0.000 2.542 114 S HA 0.552 5.033 4.470 0.018 0.000 0.293 114 S C -0.574 173.975 174.600 -0.085 0.000 1.089 114 S CA -0.858 57.132 58.200 -0.349 0.000 0.961 114 S CB 1.062 63.756 63.200 -0.844 0.000 1.062 114 S HN 0.600 nan 8.310 nan 0.000 0.483 115 c N 3.132 121.655 118.600 -0.127 0.000 2.379 115 c HA 0.729 5.310 4.570 0.018 0.000 0.323 115 c C -0.117 174.033 174.090 0.099 0.000 1.262 115 c CA -0.481 55.862 56.329 0.023 0.000 1.581 115 c CB -0.230 42.209 42.510 -0.118 0.000 2.221 115 c HN 0.962 nan 8.230 nan 0.000 0.497 116 H N 0.371 119.522 119.070 0.135 0.000 2.865 116 H HA 0.271 4.838 4.556 0.018 0.000 0.372 116 H C 0.666 176.080 175.328 0.144 0.000 1.173 116 H CA -0.213 55.973 56.048 0.230 0.000 1.147 116 H CB 1.970 31.933 29.762 0.334 0.000 1.805 116 H HN 0.655 nan 8.280 nan 0.000 0.553 117 T N -0.694 113.992 114.554 0.220 0.000 2.867 117 T HA 0.204 4.565 4.350 0.018 0.000 0.268 117 T C 0.986 175.655 174.700 -0.052 0.000 1.057 117 T CA 0.708 62.783 62.100 -0.042 0.000 1.136 117 T CB 0.180 68.899 68.868 -0.249 0.000 0.874 117 T HN 0.837 nan 8.240 nan 0.000 0.466 118 G N 0.236 109.151 108.800 0.192 0.000 2.328 118 G HA2 0.399 4.370 3.960 0.018 0.000 0.299 118 G HA3 0.399 4.370 3.960 0.018 0.000 0.299 118 G C -1.915 173.224 174.900 0.398 0.000 1.435 118 G CA -0.846 44.478 45.100 0.373 0.000 0.865 118 G HN 0.419 nan 8.290 nan 0.000 0.601 119 L N 0.416 121.866 121.223 0.378 0.000 2.410 119 L HA 0.679 5.030 4.340 0.018 0.000 0.273 119 L C 1.313 178.176 176.870 -0.013 0.000 1.144 119 L CA 0.572 55.312 54.840 -0.167 0.000 0.863 119 L CB 0.247 42.083 42.059 -0.370 0.000 1.140 119 L HN 0.826 nan 8.230 nan 0.000 0.463 120 R N 1.633 122.055 120.500 -0.131 0.000 3.872 120 R HA -0.146 4.205 4.340 0.018 0.000 0.341 120 R C -0.719 175.660 176.300 0.132 0.000 1.172 120 R CA 0.906 57.009 56.100 0.005 0.000 0.901 120 R CB -1.518 28.625 30.300 -0.261 0.000 1.422 120 R HN 0.639 nan 8.270 nan 0.000 0.523 121 R N -0.615 120.090 120.500 0.342 0.000 2.460 121 R HA 0.359 4.710 4.340 0.018 0.000 0.303 121 R C 0.963 177.464 176.300 0.335 0.000 0.968 121 R CA -0.316 55.998 56.100 0.357 0.000 0.889 121 R CB 1.176 31.664 30.300 0.313 0.000 1.123 121 R HN -0.047 nan 8.270 nan 0.000 0.455 122 T N 2.257 117.019 114.554 0.347 0.000 2.493 122 T HA -0.330 4.031 4.350 0.018 0.000 0.256 122 T C 1.852 176.688 174.700 0.226 0.000 1.195 122 T CA 2.596 64.883 62.100 0.312 0.000 1.183 122 T CB -0.212 68.783 68.868 0.212 0.000 0.863 122 T HN 0.786 nan 8.240 nan 0.000 0.418 123 A N 0.764 123.766 122.820 0.303 0.000 1.968 123 A HA 0.241 4.572 4.320 0.018 0.000 0.217 123 A C 2.515 180.252 177.584 0.254 0.000 1.169 123 A CA 1.714 53.929 52.037 0.296 0.000 0.638 123 A CB -0.963 18.331 19.000 0.491 0.000 0.812 123 A HN 0.577 nan 8.150 nan 0.000 0.446 124 G N -2.953 106.007 108.800 0.266 0.000 2.683 124 G HA2 0.067 4.038 3.960 0.018 0.000 0.213 124 G HA3 0.067 4.038 3.960 0.018 0.000 0.213 124 G C 1.163 176.363 174.900 0.501 0.000 1.142 124 G CA 0.609 45.908 45.100 0.333 0.000 0.793 124 G HN 0.600 nan 8.290 nan 0.000 0.534 125 W N 0.074 121.462 121.300 0.146 0.000 4.409 125 W HA 0.041 4.712 4.660 0.018 0.000 0.188 125 W C 1.570 178.096 176.519 0.012 0.000 2.080 125 W CA 0.190 57.593 57.345 0.098 0.000 2.369 125 W CB -0.231 29.271 29.460 0.070 0.000 1.412 125 W HN 0.053 nan 8.180 nan 0.000 0.720 126 N N 1.416 120.210 118.700 0.157 0.000 2.036 126 N HA -0.226 4.524 4.740 0.018 0.000 0.199 126 N C 1.505 176.996 175.510 -0.032 0.000 1.036 126 N CA 2.539 55.609 53.050 0.034 0.000 0.870 126 N CB -1.162 37.452 38.487 0.212 0.000 1.055 126 N HN 0.017 nan 8.380 nan 0.000 0.436 127 V N 2.554 122.487 119.914 0.032 0.000 2.223 127 V HA -0.152 3.979 4.120 0.018 0.000 0.244 127 V C -0.472 175.525 176.094 -0.162 0.000 1.045 127 V CA 2.161 64.442 62.300 -0.032 0.000 1.000 127 V CB -1.401 30.414 31.823 -0.013 0.000 0.635 127 V HN 0.335 nan 8.190 nan 0.000 0.445 128 P HA -0.162 nan 4.420 nan 0.000 0.214 128 P C 1.729 178.750 177.300 -0.465 0.000 1.163 128 P CA 1.716 64.499 63.100 -0.529 0.000 0.883 128 P CB -0.141 30.811 31.700 -1.246 0.000 0.788 129 I N 0.273 120.496 120.570 -0.579 0.000 2.423 129 I HA -0.118 4.063 4.170 0.018 0.000 0.254 129 I C 2.689 178.559 176.117 -0.412 0.000 1.151 129 I CA 1.539 62.470 61.300 -0.615 0.000 1.421 129 I CB -2.337 35.014 38.000 -1.081 0.000 1.079 129 I HN 0.055 nan 8.210 nan 0.000 0.431 130 G N -0.029 108.578 108.800 -0.322 0.000 2.464 130 G HA2 -0.144 3.827 3.960 0.018 0.000 0.217 130 G HA3 -0.144 3.827 3.960 0.018 0.000 0.217 130 G C 1.639 176.457 174.900 -0.135 0.000 1.138 130 G CA 0.946 45.925 45.100 -0.202 0.000 0.793 130 G HN 0.352 nan 8.290 nan 0.000 0.539 131 T N 1.362 115.842 114.554 -0.122 0.000 2.812 131 T HA 0.032 4.393 4.350 0.018 0.000 0.264 131 T C 2.042 176.752 174.700 0.016 0.000 1.042 131 T CA 0.521 62.598 62.100 -0.039 0.000 1.140 131 T CB -0.108 68.746 68.868 -0.023 0.000 0.870 131 T HN 0.144 nan 8.240 nan 0.000 0.445 132 L N 0.803 122.005 121.223 -0.035 0.000 2.611 132 L HA 0.308 4.659 4.340 0.018 0.000 0.229 132 L C 2.420 179.271 176.870 -0.030 0.000 1.137 132 L CA -0.096 54.802 54.840 0.096 0.000 0.901 132 L CB -0.373 41.569 42.059 -0.195 0.000 1.098 132 L HN 0.128 nan 8.230 nan 0.000 0.456 133 R N 1.716 122.136 120.500 -0.133 0.000 2.113 133 R HA -0.181 4.170 4.340 0.018 0.000 0.244 133 R C -0.579 175.633 176.300 -0.148 0.000 1.142 133 R CA 1.890 57.903 56.100 -0.145 0.000 0.953 133 R CB -0.977 29.257 30.300 -0.110 0.000 0.860 133 R HN 0.187 nan 8.270 nan 0.000 0.438 134 P HA -0.138 nan 4.420 nan 0.000 0.224 134 P C 0.034 177.058 177.300 -0.461 0.000 1.142 134 P CA 1.339 64.192 63.100 -0.412 0.000 0.778 134 P CB 0.021 31.330 31.700 -0.652 0.000 0.764 135 F N -3.232 116.626 119.950 -0.154 0.000 2.728 135 F HA 0.222 4.759 4.527 0.018 0.000 0.314 135 F C 1.820 177.521 175.800 -0.166 0.000 1.094 135 F CA -0.041 57.874 58.000 -0.143 0.000 1.217 135 F CB -0.545 38.289 39.000 -0.276 0.000 1.056 135 F HN -0.240 nan 8.300 nan 0.000 0.577 136 L N -0.055 121.145 121.223 -0.037 0.000 2.156 136 L HA -0.074 4.276 4.340 0.018 0.000 0.208 136 L C 0.185 177.129 176.870 0.124 0.000 1.095 136 L CA 0.581 55.406 54.840 -0.025 0.000 0.770 136 L CB -0.568 41.431 42.059 -0.101 0.000 0.914 136 L HN 0.174 nan 8.230 nan 0.000 0.439 137 N N -1.116 117.653 118.700 0.116 0.000 2.726 137 N HA -0.216 4.535 4.740 0.018 0.000 0.253 137 N C -1.047 174.582 175.510 0.199 0.000 1.059 137 N CA 0.570 53.693 53.050 0.120 0.000 0.701 137 N CB -1.752 36.801 38.487 0.109 0.000 0.899 137 N HN 0.444 nan 8.380 nan 0.000 0.548 138 W N 0.974 122.261 121.300 -0.021 0.000 2.294 138 W HA 0.438 5.109 4.660 0.018 0.000 0.314 138 W C 1.287 177.797 176.519 -0.015 0.000 1.044 138 W CA -0.564 56.774 57.345 -0.013 0.000 1.284 138 W CB 0.621 30.067 29.460 -0.023 0.000 1.231 138 W HN 0.118 nan 8.180 nan 0.000 0.419 139 T N 4.101 118.410 114.554 -0.408 0.000 2.849 139 T HA 0.130 4.490 4.350 0.018 0.000 0.270 139 T C 0.917 175.149 174.700 -0.780 0.000 1.066 139 T CA 2.090 63.912 62.100 -0.463 0.000 1.130 139 T CB -0.694 68.032 68.868 -0.236 0.000 0.864 139 T HN 0.926 nan 8.240 nan 0.000 0.481 140 G N 0.868 108.624 108.800 -1.740 0.000 2.610 140 G HA2 -0.071 3.900 3.960 0.018 0.000 0.304 140 G HA3 -0.071 3.900 3.960 0.018 0.000 0.304 140 G C -3.035 171.352 174.900 -0.855 0.000 1.309 140 G CA -1.167 42.773 45.100 -1.935 0.000 0.906 140 G HN 0.158 nan 8.290 nan 0.000 0.521 141 P HA 0.250 nan 4.420 nan 0.000 0.267 141 P C -1.682 175.579 177.300 -0.066 0.000 1.200 141 P CA -0.455 62.642 63.100 -0.005 0.000 0.772 141 P CB 0.252 31.988 31.700 0.060 0.000 0.855 142 P HA 0.015 nan 4.420 nan 0.000 0.245 142 P C 0.053 177.457 177.300 0.172 0.000 1.212 142 P CA 0.463 63.615 63.100 0.087 0.000 0.774 142 P CB 0.050 31.785 31.700 0.059 0.000 0.999 143 E N 2.821 123.137 120.200 0.193 0.000 2.029 143 E HA 0.092 4.453 4.350 0.018 0.000 0.276 143 E C -1.951 175.050 176.600 0.668 0.000 1.163 143 E CA -2.445 54.167 56.400 0.353 0.000 0.909 143 E CB 0.255 30.146 29.700 0.319 0.000 1.046 143 E HN 0.129 nan 8.360 nan 0.000 0.406 144 P HA -0.111 nan 4.420 nan 0.000 0.262 144 P C 0.770 178.095 177.300 0.041 0.000 1.182 144 P CA 0.159 63.411 63.100 0.253 0.000 0.761 144 P CB 0.804 32.626 31.700 0.204 0.000 0.795 145 I N 3.437 123.733 120.570 -0.456 0.000 2.236 145 I HA -0.338 3.843 4.170 0.018 0.000 0.249 145 I C 1.867 177.738 176.117 -0.409 0.000 1.102 145 I CA 1.905 62.582 61.300 -1.038 0.000 1.365 145 I CB -0.402 36.901 38.000 -1.162 0.000 1.051 145 I HN 0.268 nan 8.210 nan 0.000 0.420 146 E N 0.968 120.981 120.200 -0.312 0.000 2.108 146 E HA -0.308 4.053 4.350 0.018 0.000 0.203 146 E C 2.263 178.699 176.600 -0.275 0.000 1.022 146 E CA 1.829 57.970 56.400 -0.431 0.000 0.823 146 E CB -0.865 28.004 29.700 -1.384 0.000 0.744 146 E HN 0.666 nan 8.360 nan 0.000 0.456 147 A N 0.770 123.521 122.820 -0.116 0.000 1.917 147 A HA -0.172 4.159 4.320 0.018 0.000 0.219 147 A C 2.380 180.091 177.584 0.212 0.000 1.182 147 A CA 2.359 54.573 52.037 0.294 0.000 0.633 147 A CB -0.942 18.333 19.000 0.458 0.000 0.819 147 A HN 0.313 nan 8.150 nan 0.000 0.448 148 A N -0.828 122.073 122.820 0.134 0.000 1.929 148 A HA 0.080 4.411 4.320 0.018 0.000 0.216 148 A C 2.339 180.005 177.584 0.136 0.000 1.176 148 A CA 1.703 53.829 52.037 0.148 0.000 0.628 148 A CB -0.928 18.139 19.000 0.113 0.000 0.816 148 A HN 1.061 nan 8.150 nan 0.000 0.444 149 V N -0.537 119.439 119.914 0.104 0.000 2.488 149 V HA 0.033 4.164 4.120 0.018 0.000 0.246 149 V C 2.421 178.733 176.094 0.363 0.000 1.046 149 V CA 1.987 64.431 62.300 0.240 0.000 1.053 149 V CB -0.631 31.302 31.823 0.184 0.000 0.679 149 V HN 0.529 nan 8.190 nan 0.000 0.458 150 A N 0.233 123.219 122.820 0.277 0.000 2.225 150 A HA -0.053 4.278 4.320 0.018 0.000 0.215 150 A C 2.202 179.926 177.584 0.233 0.000 1.164 150 A CA 1.457 53.658 52.037 0.274 0.000 0.710 150 A CB -0.415 18.751 19.000 0.276 0.000 0.780 150 A HN 0.695 nan 8.150 nan 0.000 0.473 151 R N -2.919 117.712 120.500 0.218 0.000 2.344 151 R HA 0.206 4.556 4.340 0.018 0.000 0.209 151 R C 1.588 177.960 176.300 0.120 0.000 0.886 151 R CA 0.336 56.532 56.100 0.160 0.000 1.040 151 R CB -0.214 30.179 30.300 0.156 0.000 1.114 151 R HN 0.506 nan 8.270 nan 0.000 0.547 152 F N 1.327 121.267 119.950 -0.017 0.000 2.118 152 F HA 0.132 4.670 4.527 0.018 0.000 0.293 152 F C 0.340 175.945 175.800 -0.325 0.000 1.102 152 F CA 0.752 58.621 58.000 -0.218 0.000 1.247 152 F CB 0.116 38.915 39.000 -0.335 0.000 1.017 152 F HN -0.290 nan 8.300 nan 0.000 0.475 153 F N 0.323 120.254 119.950 -0.031 0.000 2.403 153 F HA 0.248 4.786 4.527 0.018 0.000 0.326 153 F C 1.794 177.571 175.800 -0.038 0.000 1.081 153 F CA -0.095 57.843 58.000 -0.103 0.000 1.041 153 F CB 0.892 39.959 39.000 0.112 0.000 1.234 153 F HN -0.062 nan 8.300 nan 0.000 0.503 154 S N 0.994 116.781 115.700 0.145 0.000 2.345 154 S HA 0.261 4.742 4.470 0.018 0.000 0.220 154 S C 0.614 175.291 174.600 0.129 0.000 1.031 154 S CA 0.635 58.890 58.200 0.091 0.000 0.996 154 S CB -0.337 62.887 63.200 0.041 0.000 0.882 154 S HN 0.767 nan 8.310 nan 0.000 0.445 155 A N -0.207 122.701 122.820 0.147 0.000 2.539 155 A HA 0.815 5.146 4.320 0.018 0.000 0.296 155 A C -0.528 177.139 177.584 0.138 0.000 1.073 155 A CA -0.643 51.474 52.037 0.132 0.000 0.700 155 A CB 1.809 20.866 19.000 0.095 0.000 1.296 155 A HN 0.345 nan 8.150 nan 0.000 0.405 156 S N -1.120 114.660 115.700 0.134 0.000 2.671 156 S HA 0.648 5.129 4.470 0.018 0.000 0.277 156 S C -1.396 173.285 174.600 0.135 0.000 1.165 156 S CA -0.436 57.835 58.200 0.120 0.000 0.822 156 S CB 1.520 64.788 63.200 0.113 0.000 1.150 156 S HN 1.533 nan 8.310 nan 0.000 0.479 157 c N 2.310 121.010 118.600 0.168 0.000 2.344 157 c HA 0.788 5.369 4.570 0.018 0.000 0.326 157 c C -1.069 173.121 174.090 0.166 0.000 1.201 157 c CA -0.147 56.297 56.329 0.193 0.000 1.410 157 c CB -0.943 41.741 42.510 0.289 0.000 2.070 157 c HN 0.610 nan 8.230 nan 0.000 0.445 158 V N 7.566 127.532 119.914 0.086 0.000 2.462 158 V HA 0.284 4.415 4.120 0.018 0.000 0.257 158 V C -2.297 173.840 176.094 0.072 0.000 0.944 158 V CA -1.187 61.113 62.300 0.001 0.000 0.903 158 V CB 0.757 32.432 31.823 -0.246 0.000 1.128 158 V HN 0.712 nan 8.190 nan 0.000 0.486 159 P HA 0.102 nan 4.420 nan 0.000 0.259 159 P C 1.223 178.768 177.300 0.408 0.000 1.163 159 P CA 2.251 65.532 63.100 0.302 0.000 0.760 159 P CB 0.452 32.444 31.700 0.487 0.000 0.762 160 G N 2.119 111.083 108.800 0.275 0.000 2.234 160 G HA2 -0.210 3.761 3.960 0.018 0.000 0.235 160 G HA3 -0.210 3.761 3.960 0.018 0.000 0.235 160 G C 0.540 175.436 174.900 -0.006 0.000 0.997 160 G CA -0.010 45.187 45.100 0.162 0.000 0.623 160 G HN 0.835 nan 8.290 nan 0.000 0.514 161 A N 0.230 123.031 122.820 -0.031 0.000 2.429 161 A HA 0.468 4.798 4.320 0.018 0.000 0.242 161 A C 0.410 178.030 177.584 0.059 0.000 1.088 161 A CA 0.793 52.794 52.037 -0.060 0.000 0.784 161 A CB 0.172 19.100 19.000 -0.120 0.000 1.038 161 A HN 0.489 nan 8.150 nan 0.000 0.501 162 D N 0.335 120.842 120.400 0.179 0.000 2.359 162 D HA 0.123 4.774 4.640 0.018 0.000 0.250 162 D C 1.065 177.437 176.300 0.119 0.000 1.264 162 D CA 0.200 54.292 54.000 0.154 0.000 0.911 162 D CB 0.410 41.310 40.800 0.167 0.000 1.056 162 D HN 0.492 nan 8.370 nan 0.000 0.499 163 K N 2.187 122.624 120.400 0.063 0.000 2.113 163 K HA -0.160 4.171 4.320 0.018 0.000 0.208 163 K C 1.834 178.437 176.600 0.006 0.000 1.047 163 K CA 1.228 57.543 56.287 0.045 0.000 0.928 163 K CB -0.061 32.455 32.500 0.026 0.000 0.716 163 K HN 0.545 nan 8.250 nan 0.000 0.446 164 G N 1.231 110.015 108.800 -0.026 0.000 2.639 164 G HA2 -0.314 3.657 3.960 0.018 0.000 0.216 164 G HA3 -0.314 3.657 3.960 0.018 0.000 0.216 164 G C 1.309 176.117 174.900 -0.153 0.000 1.267 164 G CA 0.852 45.909 45.100 -0.072 0.000 0.801 164 G HN 0.353 nan 8.290 nan 0.000 0.592 165 Q N -0.722 118.899 119.800 -0.298 0.000 2.187 165 Q HA 0.086 4.437 4.340 0.018 0.000 0.199 165 Q C 0.478 176.010 176.000 -0.781 0.000 0.957 165 Q CA 0.573 55.974 55.803 -0.669 0.000 0.857 165 Q CB 0.198 28.253 28.738 -1.138 0.000 0.929 165 Q HN 0.549 nan 8.270 nan 0.000 0.453 166 F N 0.228 120.190 119.950 0.021 0.000 2.664 166 F HA 0.295 4.833 4.527 0.019 0.000 0.322 166 F C -1.821 174.001 175.800 0.036 0.000 1.324 166 F CA -2.493 55.526 58.000 0.033 0.000 1.154 166 F CB 0.559 39.575 39.000 0.025 0.000 1.236 166 F HN -0.078 nan 8.300 nan 0.000 0.532 167 P HA -0.278 nan 4.420 nan 0.000 0.219 167 P C 1.346 178.718 177.300 0.119 0.000 1.161 167 P CA 1.653 64.811 63.100 0.098 0.000 0.909 167 P CB 0.369 32.108 31.700 0.065 0.000 0.793 168 N N -0.618 118.168 118.700 0.143 0.000 2.192 168 N HA -0.115 4.636 4.740 0.018 0.000 0.188 168 N C 1.820 177.421 175.510 0.152 0.000 1.013 168 N CA 0.894 54.032 53.050 0.146 0.000 0.863 168 N CB -0.876 37.712 38.487 0.168 0.000 0.990 168 N HN 0.229 nan 8.380 nan 0.000 0.430 169 L N -0.854 120.466 121.223 0.162 0.000 2.201 169 L HA -0.095 4.255 4.340 0.018 0.000 0.212 169 L C 1.536 178.462 176.870 0.094 0.000 1.105 169 L CA 0.681 55.594 54.840 0.121 0.000 0.775 169 L CB -0.108 42.008 42.059 0.095 0.000 0.913 169 L HN 0.221 nan 8.230 nan 0.000 0.440 170 c N -1.645 117.017 118.600 0.104 0.000 3.070 170 c HA 0.120 4.701 4.570 0.018 0.000 0.280 170 c C 2.578 176.723 174.090 0.091 0.000 1.264 170 c CA -0.625 55.758 56.329 0.090 0.000 1.690 170 c CB -0.385 42.170 42.510 0.075 0.000 2.049 170 c HN 0.396 nan 8.230 nan 0.000 0.636 171 R N 1.305 121.863 120.500 0.096 0.000 2.134 171 R HA -0.181 4.170 4.340 0.018 0.000 0.248 171 R C 1.331 177.689 176.300 0.098 0.000 1.143 171 R CA 1.514 57.667 56.100 0.089 0.000 0.957 171 R CB -0.358 29.994 30.300 0.087 0.000 0.867 171 R HN 0.524 nan 8.270 nan 0.000 0.441 172 L N 0.024 121.325 121.223 0.129 0.000 2.592 172 L HA 0.143 4.494 4.340 0.018 0.000 0.227 172 L C 0.560 177.572 176.870 0.237 0.000 1.127 172 L CA -0.654 54.291 54.840 0.175 0.000 0.884 172 L CB 0.133 42.304 42.059 0.187 0.000 1.065 172 L HN 0.139 nan 8.230 nan 0.000 0.457 173 c N 1.475 120.172 118.600 0.162 0.000 2.563 173 c HA 0.094 4.675 4.570 0.018 0.000 0.411 173 c C 1.810 175.862 174.090 -0.064 0.000 1.386 173 c CA 0.327 56.717 56.329 0.101 0.000 1.703 173 c CB 0.312 42.869 42.510 0.078 0.000 2.596 173 c HN 0.606 nan 8.230 nan 0.000 0.605 174 A N 2.893 125.503 122.820 -0.350 0.000 2.348 174 A HA 0.443 4.774 4.320 0.018 0.000 0.224 174 A C 1.192 178.615 177.584 -0.269 0.000 1.227 174 A CA 0.561 52.332 52.037 -0.444 0.000 0.885 174 A CB -0.349 18.038 19.000 -1.022 0.000 0.933 174 A HN 1.027 nan 8.150 nan 0.000 0.506 175 G N -0.814 107.877 108.800 -0.181 0.000 2.683 175 G HA2 0.400 4.370 3.960 0.018 0.000 0.260 175 G HA3 0.400 4.370 3.960 0.018 0.000 0.260 175 G C -0.272 174.579 174.900 -0.082 0.000 1.238 175 G CA 0.112 45.141 45.100 -0.118 0.000 0.934 175 G HN 0.109 nan 8.290 nan 0.000 0.534 176 T N 0.290 114.806 114.554 -0.063 0.000 2.758 176 T HA 0.548 4.909 4.350 0.018 0.000 0.285 176 T C 0.998 175.678 174.700 -0.034 0.000 0.981 176 T CA 0.955 63.029 62.100 -0.044 0.000 0.965 176 T CB 0.676 69.521 68.868 -0.039 0.000 0.927 176 T HN 1.583 nan 8.240 nan 0.000 0.448 177 G N 3.817 112.601 108.800 -0.026 0.000 2.611 177 G HA2 -0.273 3.698 3.960 0.018 0.000 0.301 177 G HA3 -0.273 3.698 3.960 0.018 0.000 0.301 177 G C 0.820 175.707 174.900 -0.021 0.000 1.233 177 G CA 0.159 45.247 45.100 -0.020 0.000 0.993 177 G HN 0.638 nan 8.290 nan 0.000 0.553 178 E N 1.559 121.746 120.200 -0.021 0.000 2.463 178 E HA -0.060 4.301 4.350 0.018 0.000 0.201 178 E C 2.111 178.694 176.600 -0.030 0.000 1.045 178 E CA 0.883 57.270 56.400 -0.021 0.000 0.872 178 E CB -0.243 29.445 29.700 -0.019 0.000 0.797 178 E HN 0.440 nan 8.360 nan 0.000 0.538 179 N N 0.912 119.589 118.700 -0.037 0.000 2.415 179 N HA -0.063 4.688 4.740 0.018 0.000 0.176 179 N C 0.760 176.238 175.510 -0.054 0.000 1.042 179 N CA 0.258 53.277 53.050 -0.052 0.000 0.902 179 N CB 0.112 38.564 38.487 -0.057 0.000 0.986 179 N HN 0.158 nan 8.380 nan 0.000 0.447 180 K N 0.891 121.266 120.400 -0.041 0.000 2.416 180 K HA 0.006 4.337 4.320 0.018 0.000 0.283 180 K C 0.254 176.847 176.600 -0.013 0.000 1.037 180 K CA 0.133 56.400 56.287 -0.033 0.000 0.995 180 K CB 0.342 32.826 32.500 -0.026 0.000 0.938 180 K HN 0.216 nan 8.250 nan 0.000 0.475 181 c N 2.991 121.590 118.600 -0.002 0.000 4.432 181 c HA -0.188 4.393 4.570 0.018 0.000 0.294 181 c C 0.323 174.432 174.090 0.032 0.000 1.398 181 c CA 0.328 56.677 56.329 0.034 0.000 1.988 181 c CB -2.430 40.108 42.510 0.046 0.000 1.251 181 c HN 0.867 nan 8.230 nan 0.000 0.791 182 A N 0.075 122.881 122.820 -0.024 0.000 2.316 182 A HA 0.633 4.964 4.320 0.018 0.000 0.284 182 A C -0.240 177.208 177.584 -0.226 0.000 1.115 182 A CA -0.145 51.848 52.037 -0.073 0.000 0.812 182 A CB 0.145 19.073 19.000 -0.120 0.000 1.064 182 A HN 1.093 nan 8.150 nan 0.000 0.489 183 F N 3.156 122.894 119.950 -0.353 0.000 2.669 183 F HA 0.398 4.936 4.527 0.018 0.000 0.353 183 F C 0.866 176.107 175.800 -0.932 0.000 1.192 183 F CA 1.066 58.745 58.000 -0.534 0.000 1.317 183 F CB -0.395 38.533 39.000 -0.121 0.000 1.652 183 F HN 0.757 nan 8.300 nan 0.000 0.608 184 S N -1.166 113.549 115.700 -1.642 0.000 2.683 184 S HA 0.131 4.612 4.470 0.018 0.000 0.264 184 S C 0.477 174.629 174.600 -0.745 0.000 1.066 184 S CA -0.336 57.221 58.200 -1.071 0.000 0.846 184 S CB 0.482 63.436 63.200 -0.409 0.000 1.114 184 S HN -0.050 nan 8.310 nan 0.000 0.476 185 S N 0.896 116.434 115.700 -0.271 0.000 2.469 185 S HA -0.093 4.388 4.470 0.018 0.000 0.238 185 S C 1.765 176.322 174.600 -0.072 0.000 0.998 185 S CA 1.168 59.335 58.200 -0.054 0.000 0.957 185 S CB -0.442 62.758 63.200 0.001 0.000 0.764 185 S HN 0.582 nan 8.310 nan 0.000 0.514 186 Q N 1.203 120.927 119.800 -0.127 0.000 2.096 186 Q HA -0.034 4.317 4.340 0.018 0.000 0.204 186 Q C 1.034 176.977 176.000 -0.095 0.000 0.982 186 Q CA 1.002 56.748 55.803 -0.094 0.000 0.850 186 Q CB -0.522 28.160 28.738 -0.092 0.000 0.901 186 Q HN 0.492 nan 8.270 nan 0.000 0.422 187 E N 2.089 122.211 120.200 -0.130 0.000 2.029 187 E HA 0.036 4.397 4.350 0.018 0.000 0.276 187 E C -1.852 174.743 176.600 -0.008 0.000 1.163 187 E CA -2.017 54.333 56.400 -0.084 0.000 0.909 187 E CB 0.864 30.513 29.700 -0.084 0.000 1.046 187 E HN -0.080 nan 8.360 nan 0.000 0.406 188 P HA -0.213 nan 4.420 nan 0.000 0.218 188 P C 0.177 177.597 177.300 0.199 0.000 1.150 188 P CA 1.340 64.426 63.100 -0.024 0.000 0.841 188 P CB -0.014 31.558 31.700 -0.212 0.000 0.784 189 Y N -2.673 117.681 120.300 0.091 0.000 2.462 189 Y HA 0.237 4.798 4.550 0.018 0.000 0.293 189 Y C 1.101 177.096 175.900 0.157 0.000 1.195 189 Y CA -1.695 56.467 58.100 0.103 0.000 1.276 189 Y CB -1.453 37.062 38.460 0.092 0.000 1.082 189 Y HN -0.089 nan 8.280 nan 0.000 0.514 190 F N -0.083 119.946 119.950 0.132 0.000 2.378 190 F HA 0.436 4.974 4.527 0.019 0.000 0.319 190 F C 1.287 177.082 175.800 -0.008 0.000 1.155 190 F CA 0.127 58.132 58.000 0.007 0.000 1.157 190 F CB 0.675 39.626 39.000 -0.080 0.000 1.252 190 F HN -0.010 nan 8.300 nan 0.000 0.550 191 S N 2.077 117.252 115.700 -0.876 0.000 3.238 191 S HA -0.332 4.149 4.470 0.018 0.000 0.635 191 S C 0.738 175.164 174.600 -0.290 0.000 2.771 191 S CA 0.828 58.542 58.200 -0.810 0.000 2.973 191 S CB -1.147 61.664 63.200 -0.649 0.000 0.332 191 S HN 0.763 nan 8.310 nan 0.000 1.788 192 Y N 0.797 121.007 120.300 -0.151 0.000 2.207 192 Y HA -0.107 4.455 4.550 0.019 0.000 0.287 192 Y C 2.887 178.778 175.900 -0.014 0.000 1.156 192 Y CA 1.687 59.746 58.100 -0.069 0.000 1.182 192 Y CB -0.738 37.664 38.460 -0.097 0.000 0.979 192 Y HN 0.449 nan 8.280 nan 0.000 0.521 193 S N -0.431 115.363 115.700 0.156 0.000 2.425 193 S HA -0.031 4.450 4.470 0.018 0.000 0.225 193 S C 2.373 177.055 174.600 0.138 0.000 1.024 193 S CA 0.679 58.974 58.200 0.160 0.000 0.951 193 S CB -0.781 62.495 63.200 0.127 0.000 0.796 193 S HN 0.615 nan 8.310 nan 0.000 0.498 194 G N 2.204 111.083 108.800 0.130 0.000 2.552 194 G HA2 -0.152 3.819 3.960 0.018 0.000 0.216 194 G HA3 -0.152 3.819 3.960 0.018 0.000 0.216 194 G C 1.642 176.578 174.900 0.059 0.000 1.240 194 G CA 1.000 46.222 45.100 0.203 0.000 0.796 194 G HN 0.560 nan 8.290 nan 0.000 0.568 195 A N -0.050 122.806 122.820 0.059 0.000 2.009 195 A HA -0.147 4.184 4.320 0.018 0.000 0.222 195 A C 2.201 179.776 177.584 -0.016 0.000 1.175 195 A CA 2.175 54.212 52.037 -0.000 0.000 0.651 195 A CB -0.567 18.473 19.000 0.067 0.000 0.815 195 A HN 0.519 nan 8.150 nan 0.000 0.459 196 F N 0.037 119.906 119.950 -0.135 0.000 2.270 196 F HA 0.084 4.622 4.527 0.019 0.000 0.295 196 F C 2.006 177.690 175.800 -0.194 0.000 1.087 196 F CA 1.519 59.410 58.000 -0.182 0.000 1.365 196 F CB -0.306 38.587 39.000 -0.178 0.000 1.056 196 F HN 0.208 nan 8.300 nan 0.000 0.506 197 K N -0.265 119.976 120.400 -0.265 0.000 2.057 197 K HA -0.216 4.114 4.320 0.018 0.000 0.206 197 K C 2.504 178.856 176.600 -0.414 0.000 1.050 197 K CA 1.503 57.611 56.287 -0.299 0.000 0.935 197 K CB -0.855 31.624 32.500 -0.035 0.000 0.715 197 K HN 0.456 nan 8.250 nan 0.000 0.439 198 c N 1.152 119.294 118.600 -0.764 0.000 2.388 198 c HA -0.179 4.401 4.570 0.018 0.000 0.277 198 c C 2.606 176.443 174.090 -0.421 0.000 1.210 198 c CA 1.238 56.921 56.329 -1.076 0.000 1.743 198 c CB -1.110 40.670 42.510 -1.217 0.000 2.047 198 c HN 0.657 nan 8.230 nan 0.000 0.458 199 L N 1.392 122.453 121.223 -0.270 0.000 2.012 199 L HA -0.107 4.244 4.340 0.018 0.000 0.210 199 L C 2.729 179.547 176.870 -0.086 0.000 1.073 199 L CA 2.195 56.969 54.840 -0.109 0.000 0.748 199 L CB -1.148 40.914 42.059 0.005 0.000 0.891 199 L HN 0.362 nan 8.230 nan 0.000 0.431 200 R N -0.437 119.926 120.500 -0.230 0.000 2.080 200 R HA -0.168 4.183 4.340 0.018 0.000 0.236 200 R C 1.508 177.747 176.300 -0.101 0.000 1.137 200 R CA 1.798 57.765 56.100 -0.222 0.000 0.943 200 R CB -0.333 29.672 30.300 -0.491 0.000 0.846 200 R HN 0.443 nan 8.270 nan 0.000 0.431 201 D N -1.126 119.213 120.400 -0.102 0.000 2.371 201 D HA 0.039 4.689 4.640 0.018 0.000 0.234 201 D C 1.028 177.329 176.300 0.001 0.000 1.049 201 D CA 1.065 55.054 54.000 -0.018 0.000 0.907 201 D CB 0.328 41.168 40.800 0.066 0.000 0.891 201 D HN 0.557 nan 8.370 nan 0.000 0.531 202 G N 0.643 109.433 108.800 -0.016 0.000 2.184 202 G HA2 -0.412 3.558 3.960 0.018 0.000 0.264 202 G HA3 -0.412 3.558 3.960 0.018 0.000 0.264 202 G C 1.382 176.288 174.900 0.010 0.000 0.975 202 G CA 0.789 45.892 45.100 0.006 0.000 0.642 202 G HN 0.520 nan 8.290 nan 0.000 0.536 203 A N 0.175 122.998 122.820 0.005 0.000 1.865 203 A HA 0.421 4.752 4.320 0.018 0.000 0.217 203 A C 2.019 179.605 177.584 0.004 0.000 1.191 203 A CA 2.440 54.500 52.037 0.038 0.000 0.623 203 A CB -0.730 18.340 19.000 0.115 0.000 0.826 203 A HN 1.909 nan 8.150 nan 0.000 0.444 204 G N -2.504 106.265 108.800 -0.052 0.000 2.522 204 G HA2 0.428 4.399 3.960 0.018 0.000 0.304 204 G HA3 0.428 4.399 3.960 0.018 0.000 0.304 204 G C -0.180 174.705 174.900 -0.024 0.000 1.210 204 G CA 0.097 45.166 45.100 -0.052 0.000 0.960 204 G HN 0.138 nan 8.290 nan 0.000 0.497 205 D N -1.739 118.644 120.400 -0.028 0.000 2.380 205 D HA 0.102 4.753 4.640 0.018 0.000 0.212 205 D C 0.158 176.503 176.300 0.076 0.000 1.021 205 D CA 0.569 54.592 54.000 0.038 0.000 0.884 205 D CB 1.342 42.124 40.800 -0.030 0.000 1.001 205 D HN 0.093 nan 8.370 nan 0.000 0.506 206 V N 0.374 120.223 119.914 -0.108 0.000 2.808 206 V HA 0.684 4.815 4.120 0.018 0.000 0.308 206 V C -1.692 174.120 176.094 -0.469 0.000 1.099 206 V CA -0.677 61.462 62.300 -0.268 0.000 0.920 206 V CB 1.843 33.453 31.823 -0.355 0.000 1.014 206 V HN 0.053 nan 8.190 nan 0.000 0.425 207 A N 5.775 128.353 122.820 -0.403 0.000 2.331 207 A HA 0.868 5.199 4.320 0.018 0.000 0.320 207 A C -1.285 176.087 177.584 -0.353 0.000 1.138 207 A CA -0.370 51.482 52.037 -0.308 0.000 0.790 207 A CB 0.972 19.927 19.000 -0.075 0.000 1.206 207 A HN 0.724 nan 8.150 nan 0.000 0.470 208 F N 4.527 124.426 119.950 -0.084 0.000 2.303 208 F HA 0.427 4.965 4.527 0.018 0.000 0.368 208 F C 0.605 176.433 175.800 0.047 0.000 1.105 208 F CA -0.670 57.303 58.000 -0.045 0.000 1.153 208 F CB 0.539 39.448 39.000 -0.152 0.000 1.362 208 F HN 0.523 nan 8.300 nan 0.000 0.511 209 I N 0.207 120.901 120.570 0.206 0.000 3.567 209 I HA 0.629 4.810 4.170 0.018 0.000 0.302 209 I C -0.501 175.744 176.117 0.214 0.000 1.158 209 I CA -1.477 59.977 61.300 0.257 0.000 1.027 209 I CB 1.635 39.730 38.000 0.158 0.000 1.363 209 I HN 0.366 nan 8.210 nan 0.000 0.480 210 R N 0.935 121.501 120.500 0.111 0.000 2.583 210 R HA 0.291 4.642 4.340 0.018 0.000 0.268 210 R C 0.892 177.092 176.300 -0.166 0.000 1.101 210 R CA -0.182 55.892 56.100 -0.043 0.000 1.180 210 R CB 0.620 30.657 30.300 -0.438 0.000 1.128 210 R HN 0.668 nan 8.270 nan 0.000 0.568 211 E N 1.171 121.269 120.200 -0.170 0.000 2.338 211 E HA -0.176 4.185 4.350 0.018 0.000 0.197 211 E C 1.127 177.578 176.600 -0.249 0.000 1.007 211 E CA 1.734 57.966 56.400 -0.280 0.000 0.849 211 E CB -0.250 29.012 29.700 -0.729 0.000 0.774 211 E HN 0.716 nan 8.360 nan 0.000 0.506 212 S N 0.793 116.318 115.700 -0.293 0.000 2.345 212 S HA -0.121 4.360 4.470 0.018 0.000 0.219 212 S C 2.086 176.576 174.600 -0.183 0.000 1.031 212 S CA 1.296 59.391 58.200 -0.176 0.000 0.984 212 S CB -1.115 61.874 63.200 -0.351 0.000 0.874 212 S HN 0.248 nan 8.310 nan 0.000 0.451 213 T N 2.383 116.734 114.554 -0.340 0.000 2.693 213 T HA -0.209 4.152 4.350 0.018 0.000 0.263 213 T C 1.808 176.222 174.700 -0.476 0.000 1.046 213 T CA 1.986 63.872 62.100 -0.357 0.000 1.160 213 T CB -1.108 67.562 68.868 -0.329 0.000 0.853 213 T HN 0.465 nan 8.240 nan 0.000 0.462 214 V N 0.003 119.456 119.914 -0.767 0.000 2.719 214 V HA 0.026 4.157 4.120 0.018 0.000 0.252 214 V C 1.849 177.681 176.094 -0.438 0.000 1.065 214 V CA 1.290 63.072 62.300 -0.864 0.000 1.086 214 V CB -0.692 30.440 31.823 -1.151 0.000 0.700 214 V HN 0.498 nan 8.190 nan 0.000 0.467 215 F N 1.056 120.899 119.950 -0.178 0.000 2.416 215 F HA 0.176 4.714 4.527 0.020 0.000 0.296 215 F C 2.399 178.157 175.800 -0.070 0.000 1.099 215 F CA 1.325 59.273 58.000 -0.087 0.000 1.427 215 F CB -0.305 38.643 39.000 -0.087 0.000 1.079 215 F HN 0.236 nan 8.300 nan 0.000 0.536 216 E N 0.149 120.396 120.200 0.079 0.000 2.122 216 E HA -0.120 4.241 4.350 0.018 0.000 0.190 216 E C 1.095 177.721 176.600 0.043 0.000 0.977 216 E CA 1.229 57.647 56.400 0.030 0.000 0.820 216 E CB -0.119 29.558 29.700 -0.037 0.000 0.770 216 E HN 0.311 nan 8.360 nan 0.000 0.462 217 D N 0.133 120.573 120.400 0.066 0.000 2.305 217 D HA 0.067 4.718 4.640 0.018 0.000 0.206 217 D C 0.230 176.604 176.300 0.123 0.000 0.974 217 D CA 0.503 54.575 54.000 0.119 0.000 0.871 217 D CB 0.430 41.362 40.800 0.221 0.000 0.947 217 D HN 0.022 nan 8.370 nan 0.000 0.516 218 L N 1.730 123.031 121.223 0.129 0.000 2.297 218 L HA 0.167 4.518 4.340 0.018 0.000 0.277 218 L C 1.384 178.311 176.870 0.096 0.000 1.040 218 L CA -0.377 54.532 54.840 0.117 0.000 0.867 218 L CB 1.259 43.401 42.059 0.138 0.000 1.244 218 L HN -0.041 nan 8.230 nan 0.000 0.433 219 S N 1.386 117.133 115.700 0.078 0.000 2.401 219 S HA -0.247 4.234 4.470 0.018 0.000 0.236 219 S C 0.671 175.313 174.600 0.069 0.000 1.058 219 S CA 1.274 59.512 58.200 0.064 0.000 1.151 219 S CB -0.247 62.983 63.200 0.050 0.000 1.049 219 S HN 0.691 nan 8.310 nan 0.000 0.432 220 D N 0.957 121.399 120.400 0.070 0.000 2.198 220 D HA 0.250 4.901 4.640 0.018 0.000 0.245 220 D C 0.906 177.257 176.300 0.084 0.000 1.079 220 D CA -0.453 53.588 54.000 0.068 0.000 0.854 220 D CB 1.357 42.188 40.800 0.052 0.000 1.148 220 D HN 0.396 nan 8.370 nan 0.000 0.456 221 E N 3.202 123.452 120.200 0.083 0.000 2.049 221 E HA -0.305 4.056 4.350 0.018 0.000 0.198 221 E C 1.417 178.064 176.600 0.079 0.000 1.007 221 E CA 1.529 57.986 56.400 0.094 0.000 0.809 221 E CB -0.068 29.677 29.700 0.075 0.000 0.749 221 E HN 0.545 nan 8.360 nan 0.000 0.450 222 A N 0.767 123.621 122.820 0.058 0.000 2.067 222 A HA -0.180 4.151 4.320 0.018 0.000 0.219 222 A C 1.835 179.448 177.584 0.048 0.000 1.158 222 A CA 1.414 53.476 52.037 0.042 0.000 0.661 222 A CB -0.401 18.616 19.000 0.028 0.000 0.801 222 A HN 0.417 nan 8.150 nan 0.000 0.452 223 E N -0.145 120.099 120.200 0.073 0.000 2.072 223 E HA -0.157 4.204 4.350 0.018 0.000 0.190 223 E C 2.138 178.839 176.600 0.169 0.000 0.982 223 E CA 0.879 57.341 56.400 0.103 0.000 0.803 223 E CB -0.224 29.551 29.700 0.124 0.000 0.755 223 E HN 0.577 nan 8.360 nan 0.000 0.453 224 R N 1.152 121.747 120.500 0.158 0.000 2.139 224 R HA -0.155 4.196 4.340 0.018 0.000 0.243 224 R C 1.509 177.903 176.300 0.156 0.000 1.145 224 R CA 1.412 57.622 56.100 0.183 0.000 0.976 224 R CB -0.264 30.083 30.300 0.078 0.000 0.866 224 R HN 0.134 nan 8.270 nan 0.000 0.449 225 D N 0.685 121.127 120.400 0.070 0.000 2.354 225 D HA -0.125 4.526 4.640 0.018 0.000 0.216 225 D C 1.030 177.288 176.300 -0.070 0.000 0.970 225 D CA 0.991 54.997 54.000 0.010 0.000 0.905 225 D CB -0.042 40.759 40.800 0.002 0.000 0.903 225 D HN 0.422 nan 8.370 nan 0.000 0.508 226 E N -1.058 119.041 120.200 -0.169 0.000 2.481 226 E HA -0.013 4.348 4.350 0.018 0.000 0.195 226 E C -0.172 175.998 176.600 -0.718 0.000 1.047 226 E CA 0.228 56.349 56.400 -0.465 0.000 0.867 226 E CB 0.270 29.601 29.700 -0.615 0.000 0.858 226 E HN 0.364 nan 8.360 nan 0.000 0.513 227 Y N 0.659 120.948 120.300 -0.018 0.000 2.587 227 Y HA 0.356 4.916 4.550 0.018 0.000 0.337 227 Y C 0.580 176.443 175.900 -0.062 0.000 1.065 227 Y CA -1.078 57.003 58.100 -0.032 0.000 1.126 227 Y CB 1.295 39.746 38.460 -0.015 0.000 1.279 227 Y HN -0.122 nan 8.280 nan 0.000 0.489 228 E N 0.006 120.265 120.200 0.099 0.000 2.425 228 E HA 0.664 5.025 4.350 0.018 0.000 0.272 228 E C -2.049 174.559 176.600 0.015 0.000 1.061 228 E CA -1.051 55.362 56.400 0.021 0.000 0.877 228 E CB 1.764 31.452 29.700 -0.021 0.000 1.590 228 E HN 0.463 nan 8.360 nan 0.000 0.462 229 L N 0.805 122.033 121.223 0.009 0.000 2.354 229 L HA 0.472 4.823 4.340 0.018 0.000 0.269 229 L C -0.525 176.360 176.870 0.026 0.000 1.005 229 L CA -1.206 53.650 54.840 0.027 0.000 0.819 229 L CB 1.742 43.832 42.059 0.051 0.000 1.311 229 L HN 0.403 nan 8.230 nan 0.000 0.423 230 L N 2.141 123.399 121.223 0.059 0.000 2.295 230 L HA 0.295 4.646 4.340 0.018 0.000 0.288 230 L C -0.251 176.669 176.870 0.084 0.000 1.079 230 L CA -0.402 54.486 54.840 0.080 0.000 0.830 230 L CB 0.551 42.704 42.059 0.156 0.000 1.200 230 L HN 0.665 nan 8.230 nan 0.000 0.438 231 c N 3.941 122.572 118.600 0.052 0.000 2.480 231 c HA 0.267 4.847 4.570 0.018 0.000 0.358 231 c C -0.719 173.404 174.090 0.055 0.000 1.309 231 c CA -0.958 55.394 56.329 0.038 0.000 2.465 231 c CB 0.509 43.020 42.510 0.002 0.000 2.379 231 c HN 0.594 nan 8.230 nan 0.000 0.642 232 P HA -0.012 nan 4.420 nan 0.000 0.237 232 P C 0.430 177.760 177.300 0.049 0.000 1.178 232 P CA 1.235 64.367 63.100 0.053 0.000 0.766 232 P CB -0.166 31.550 31.700 0.027 0.000 0.876 233 D N -1.262 119.156 120.400 0.030 0.000 2.491 233 D HA -0.003 4.648 4.640 0.018 0.000 0.228 233 D C -0.255 176.069 176.300 0.040 0.000 1.183 233 D CA -0.643 53.374 54.000 0.028 0.000 0.827 233 D CB -1.222 39.583 40.800 0.008 0.000 0.989 233 D HN -0.045 nan 8.370 nan 0.000 0.494 234 N N 0.916 119.652 118.700 0.059 0.000 2.705 234 N HA -0.150 4.601 4.740 0.018 0.000 0.255 234 N C -0.676 174.859 175.510 0.041 0.000 1.008 234 N CA 1.484 54.573 53.050 0.065 0.000 0.742 234 N CB -1.490 37.043 38.487 0.076 0.000 0.906 234 N HN 0.666 nan 8.380 nan 0.000 0.541 235 T N -2.575 111.996 114.554 0.028 0.000 2.916 235 T HA 0.602 4.963 4.350 0.018 0.000 0.305 235 T C -0.290 174.410 174.700 -0.000 0.000 1.119 235 T CA -1.013 61.092 62.100 0.008 0.000 1.008 235 T CB 2.405 71.272 68.868 -0.001 0.000 1.129 235 T HN 0.162 nan 8.240 nan 0.000 0.480 236 R N 1.499 121.988 120.500 -0.019 0.000 2.295 236 R HA 0.699 5.050 4.340 0.018 0.000 0.324 236 R C -0.895 175.389 176.300 -0.027 0.000 0.968 236 R CA -0.975 55.104 56.100 -0.034 0.000 0.837 236 R CB 1.346 31.602 30.300 -0.074 0.000 1.133 236 R HN 0.454 nan 8.270 nan 0.000 0.450 237 K N 2.493 122.883 120.400 -0.017 0.000 2.395 237 K HA 0.473 4.804 4.320 0.018 0.000 0.247 237 K C -2.700 173.898 176.600 -0.002 0.000 0.973 237 K CA -2.307 53.972 56.287 -0.013 0.000 0.828 237 K CB 1.401 33.892 32.500 -0.014 0.000 1.272 237 K HN 0.197 nan 8.250 nan 0.000 0.439 238 P HA 0.008 nan 4.420 nan 0.000 0.272 238 P C 0.636 177.963 177.300 0.046 0.000 1.223 238 P CA -0.344 62.767 63.100 0.019 0.000 0.784 238 P CB 0.556 32.269 31.700 0.023 0.000 0.923 239 V N 1.506 121.450 119.914 0.050 0.000 2.764 239 V HA -0.252 3.878 4.120 0.018 0.000 0.261 239 V C 1.247 177.490 176.094 0.249 0.000 1.108 239 V CA 2.604 64.929 62.300 0.042 0.000 1.129 239 V CB -1.375 30.387 31.823 -0.101 0.000 0.701 239 V HN 0.712 nan 8.190 nan 0.000 0.495 240 D N -1.973 118.586 120.400 0.266 0.000 2.389 240 D HA -0.035 4.616 4.640 0.018 0.000 0.206 240 D C 1.478 177.773 176.300 -0.007 0.000 1.055 240 D CA 0.057 54.254 54.000 0.329 0.000 0.856 240 D CB -0.227 40.735 40.800 0.270 0.000 0.957 240 D HN 0.182 nan 8.370 nan 0.000 0.509 241 K N 1.049 121.437 120.400 -0.021 0.000 2.630 241 K HA 0.077 4.408 4.320 0.018 0.000 0.204 241 K C 0.878 177.399 176.600 -0.132 0.000 1.024 241 K CA -0.172 56.031 56.287 -0.139 0.000 1.157 241 K CB -0.800 31.661 32.500 -0.064 0.000 0.899 241 K HN 0.419 nan 8.250 nan 0.000 0.501 242 F N 1.251 121.170 119.950 -0.051 0.000 2.063 242 F HA -0.294 4.244 4.527 0.017 0.000 0.298 242 F C 1.684 177.391 175.800 -0.156 0.000 1.105 242 F CA 1.155 59.096 58.000 -0.098 0.000 1.215 242 F CB -0.727 38.171 39.000 -0.171 0.000 0.972 242 F HN -0.147 nan 8.300 nan 0.000 0.483 243 K N 0.538 120.545 120.400 -0.655 0.000 2.173 243 K HA -0.185 4.146 4.320 0.018 0.000 0.207 243 K C 1.530 178.086 176.600 -0.074 0.000 1.046 243 K CA 1.836 57.868 56.287 -0.425 0.000 0.929 243 K CB -0.750 31.433 32.500 -0.528 0.000 0.720 243 K HN 0.560 nan 8.250 nan 0.000 0.453 244 D N -1.077 119.232 120.400 -0.150 0.000 2.366 244 D HA -0.019 4.632 4.640 0.018 0.000 0.205 244 D C 0.284 176.505 176.300 -0.132 0.000 1.022 244 D CA 0.288 54.218 54.000 -0.116 0.000 0.868 244 D CB 0.449 41.184 40.800 -0.107 0.000 0.953 244 D HN 0.072 nan 8.370 nan 0.000 0.514 245 c N 2.958 121.509 118.600 -0.082 0.000 2.919 245 c HA 0.365 4.946 4.570 0.018 0.000 0.337 245 c C -0.759 173.356 174.090 0.041 0.000 1.039 245 c CA -0.554 55.730 56.329 -0.075 0.000 1.373 245 c CB -0.473 42.026 42.510 -0.019 0.000 1.843 245 c HN 0.375 nan 8.230 nan 0.000 0.493 246 H N 3.002 122.146 119.070 0.123 0.000 2.985 246 H HA 0.535 5.102 4.556 0.018 0.000 0.360 246 H C -0.729 174.686 175.328 0.146 0.000 1.221 246 H CA -0.793 55.362 56.048 0.178 0.000 1.121 246 H CB 1.053 31.001 29.762 0.310 0.000 1.854 246 H HN 0.327 nan 8.280 nan 0.000 0.551 247 L N 0.588 122.019 121.223 0.345 0.000 2.202 247 L HA 0.374 4.725 4.340 0.018 0.000 0.205 247 L C 0.936 177.961 176.870 0.258 0.000 1.083 247 L CA 1.692 56.666 54.840 0.223 0.000 0.790 247 L CB -0.235 41.917 42.059 0.155 0.000 0.942 247 L HN 0.868 nan 8.230 nan 0.000 0.452 248 A N -1.127 121.876 122.820 0.306 0.000 2.608 248 A HA 0.639 4.970 4.320 0.018 0.000 0.292 248 A C -0.904 176.591 177.584 -0.148 0.000 1.066 248 A CA -0.676 51.430 52.037 0.114 0.000 0.676 248 A CB 1.031 20.003 19.000 -0.047 0.000 1.277 248 A HN -0.019 nan 8.150 nan 0.000 0.413 249 R N 0.745 121.056 120.500 -0.315 0.000 2.310 249 R HA 0.658 5.009 4.340 0.018 0.000 0.324 249 R C -0.945 175.045 176.300 -0.517 0.000 0.955 249 R CA -0.290 55.446 56.100 -0.607 0.000 0.830 249 R CB 1.169 31.105 30.300 -0.606 0.000 1.154 249 R HN 1.275 nan 8.270 nan 0.000 0.458 250 V N 1.204 120.754 119.914 -0.607 0.000 3.102 250 V HA 0.722 4.853 4.120 0.018 0.000 0.312 250 V C -2.665 173.189 176.094 -0.399 0.000 1.135 250 V CA -2.830 59.128 62.300 -0.570 0.000 1.022 250 V CB 1.924 33.271 31.823 -0.794 0.000 1.056 250 V HN 0.684 nan 8.190 nan 0.000 0.436 251 P HA 0.130 nan 4.420 nan 0.000 0.266 251 P C 0.333 177.812 177.300 0.299 0.000 1.215 251 P CA 0.503 63.587 63.100 -0.027 0.000 0.763 251 P CB 0.551 32.193 31.700 -0.097 0.000 0.806 252 S N 3.347 119.290 115.700 0.405 0.000 2.572 252 S HA 0.009 4.489 4.470 0.018 0.000 0.267 252 S C 0.351 175.398 174.600 0.745 0.000 1.361 252 S CA -0.209 58.368 58.200 0.628 0.000 1.009 252 S CB -0.394 62.806 63.200 -0.001 0.000 0.888 252 S HN 0.497 nan 8.310 nan 0.000 0.553 253 H N 0.244 119.676 119.070 0.602 0.000 2.757 253 H HA 0.508 5.075 4.556 0.018 0.000 0.370 253 H C 0.355 175.901 175.328 0.364 0.000 1.172 253 H CA -0.133 56.203 56.048 0.480 0.000 1.426 253 H CB 0.470 30.506 29.762 0.456 0.000 1.438 253 H HN 0.907 nan 8.280 nan 0.000 0.612 254 A N 1.604 124.649 122.820 0.375 0.000 2.486 254 A HA 0.393 4.723 4.320 0.018 0.000 0.300 254 A C -0.818 176.858 177.584 0.153 0.000 1.048 254 A CA -0.723 51.426 52.037 0.187 0.000 0.696 254 A CB 1.311 20.198 19.000 -0.188 0.000 1.278 254 A HN 0.453 nan 8.150 nan 0.000 0.405 255 V N 3.071 123.087 119.914 0.170 0.000 2.415 255 V HA 0.332 4.463 4.120 0.018 0.000 0.267 255 V C 0.679 176.766 176.094 -0.013 0.000 1.042 255 V CA 0.130 62.508 62.300 0.131 0.000 1.000 255 V CB 0.336 32.317 31.823 0.264 0.000 1.015 255 V HN 0.883 nan 8.190 nan 0.000 0.478 256 V N 3.011 122.880 119.914 -0.074 0.000 3.234 256 V HA 1.071 5.202 4.120 0.018 0.000 0.317 256 V C 0.109 176.132 176.094 -0.119 0.000 1.081 256 V CA -0.344 61.899 62.300 -0.096 0.000 1.037 256 V CB 1.578 33.352 31.823 -0.082 0.000 1.148 256 V HN 1.130 nan 8.190 nan 0.000 0.453 257 A N 0.827 123.590 122.820 -0.095 0.000 2.586 257 A HA 0.698 5.029 4.320 0.018 0.000 0.291 257 A C -0.431 177.118 177.584 -0.058 0.000 1.062 257 A CA -1.155 50.829 52.037 -0.087 0.000 0.666 257 A CB 0.969 19.929 19.000 -0.067 0.000 1.281 257 A HN 0.897 nan 8.150 nan 0.000 0.421 258 R N 0.576 121.049 120.500 -0.045 0.000 2.697 258 R HA 0.198 4.548 4.340 0.018 0.000 0.265 258 R C 1.058 177.343 176.300 -0.025 0.000 1.009 258 R CA 0.635 56.720 56.100 -0.025 0.000 1.099 258 R CB 0.347 30.637 30.300 -0.017 0.000 0.965 258 R HN 0.728 nan 8.270 nan 0.000 0.428 259 S N 0.785 116.473 115.700 -0.021 0.000 2.345 259 S HA -0.047 4.434 4.470 0.018 0.000 0.219 259 S C 0.705 175.293 174.600 -0.020 0.000 1.031 259 S CA 0.593 58.779 58.200 -0.024 0.000 0.984 259 S CB 0.346 63.534 63.200 -0.021 0.000 0.874 259 S HN 0.307 nan 8.310 nan 0.000 0.451 260 V N 3.136 123.042 119.914 -0.014 0.000 2.383 260 V HA 0.293 4.423 4.120 0.018 0.000 0.275 260 V C -0.200 175.889 176.094 -0.007 0.000 1.036 260 V CA -0.507 61.786 62.300 -0.011 0.000 0.889 260 V CB 0.031 31.849 31.823 -0.009 0.000 0.985 260 V HN 0.629 nan 8.190 nan 0.000 0.459 261 N N 3.341 122.038 118.700 -0.005 0.000 2.746 261 N HA -0.178 4.573 4.740 0.018 0.000 0.250 261 N C 1.282 176.791 175.510 -0.002 0.000 1.055 261 N CA 0.376 53.425 53.050 -0.001 0.000 0.699 261 N CB -0.640 37.847 38.487 -0.001 0.000 0.919 261 N HN 0.896 nan 8.380 nan 0.000 0.548 262 G N 0.590 109.388 108.800 -0.003 0.000 2.414 262 G HA2 -0.171 3.800 3.960 0.018 0.000 0.215 262 G HA3 -0.171 3.800 3.960 0.018 0.000 0.215 262 G C 0.624 175.528 174.900 0.007 0.000 1.188 262 G CA 1.270 46.367 45.100 -0.005 0.000 0.783 262 G HN 0.477 nan 8.290 nan 0.000 0.537 263 K N -0.639 119.773 120.400 0.021 0.000 3.338 263 K HA -0.146 4.184 4.320 0.018 0.000 0.281 263 K C 1.162 177.800 176.600 0.064 0.000 1.286 263 K CA 0.666 56.976 56.287 0.038 0.000 0.824 263 K CB -1.335 31.187 32.500 0.036 0.000 1.480 263 K HN 0.528 nan 8.250 nan 0.000 0.522 264 E N 0.859 121.093 120.200 0.056 0.000 2.097 264 E HA -0.227 4.134 4.350 0.018 0.000 0.196 264 E C 1.153 177.844 176.600 0.152 0.000 1.000 264 E CA 1.658 58.107 56.400 0.082 0.000 0.804 264 E CB 0.004 29.726 29.700 0.036 0.000 0.740 264 E HN 0.335 nan 8.360 nan 0.000 0.454 265 D N 0.856 121.334 120.400 0.131 0.000 2.103 265 D HA -0.210 4.441 4.640 0.018 0.000 0.190 265 D C 1.963 178.375 176.300 0.187 0.000 0.997 265 D CA 1.649 55.746 54.000 0.163 0.000 0.833 265 D CB -0.491 40.372 40.800 0.106 0.000 0.961 265 D HN 0.191 nan 8.370 nan 0.000 0.447 266 A N 0.868 123.766 122.820 0.131 0.000 1.851 266 A HA -0.181 4.150 4.320 0.018 0.000 0.216 266 A C 2.497 180.167 177.584 0.144 0.000 1.195 266 A CA 1.480 53.582 52.037 0.108 0.000 0.622 266 A CB -0.959 18.089 19.000 0.080 0.000 0.831 266 A HN 0.226 nan 8.150 nan 0.000 0.444 267 I N -1.818 118.864 120.570 0.187 0.000 2.091 267 I HA -0.346 3.835 4.170 0.018 0.000 0.239 267 I C 2.565 178.848 176.117 0.277 0.000 1.061 267 I CA 2.019 63.473 61.300 0.258 0.000 1.317 267 I CB -0.537 37.616 38.000 0.256 0.000 1.031 267 I HN 0.725 nan 8.210 nan 0.000 0.401 268 W N 2.266 123.615 121.300 0.083 0.000 2.317 268 W HA -0.352 4.318 4.660 0.016 0.000 0.318 268 W C 2.523 179.099 176.519 0.094 0.000 1.227 268 W CA 2.069 59.460 57.345 0.077 0.000 1.269 268 W CB -0.345 29.153 29.460 0.063 0.000 1.155 268 W HN 0.232 nan 8.180 nan 0.000 0.484 269 N N 1.083 119.794 118.700 0.017 0.000 2.069 269 N HA -0.241 4.509 4.740 0.018 0.000 0.191 269 N C 1.827 177.266 175.510 -0.117 0.000 1.031 269 N CA 2.140 55.118 53.050 -0.120 0.000 0.852 269 N CB -0.947 37.544 38.487 0.008 0.000 1.018 269 N HN 0.209 nan 8.380 nan 0.000 0.423 270 L N 0.505 121.718 121.223 -0.017 0.000 2.046 270 L HA -0.017 4.333 4.340 0.018 0.000 0.208 270 L C 1.997 178.899 176.870 0.054 0.000 1.077 270 L CA 1.446 56.300 54.840 0.023 0.000 0.747 270 L CB -0.593 41.492 42.059 0.043 0.000 0.896 270 L HN 0.265 nan 8.230 nan 0.000 0.432 271 L N -0.771 120.440 121.223 -0.021 0.000 2.017 271 L HA -0.210 4.140 4.340 0.018 0.000 0.208 271 L C 2.782 179.613 176.870 -0.065 0.000 1.073 271 L CA 1.644 56.459 54.840 -0.041 0.000 0.745 271 L CB -0.741 41.141 42.059 -0.296 0.000 0.894 271 L HN 0.349 nan 8.230 nan 0.000 0.432 272 R N 0.038 120.248 120.500 -0.485 0.000 2.115 272 R HA -0.237 4.114 4.340 0.018 0.000 0.239 272 R C 2.445 178.644 176.300 -0.168 0.000 1.133 272 R CA 1.957 57.770 56.100 -0.479 0.000 0.935 272 R CB -0.165 29.722 30.300 -0.688 0.000 0.853 272 R HN 0.360 nan 8.270 nan 0.000 0.433 273 Q N -0.042 119.690 119.800 -0.113 0.000 2.002 273 Q HA -0.148 4.203 4.340 0.018 0.000 0.204 273 Q C 2.186 178.206 176.000 0.033 0.000 0.988 273 Q CA 1.911 57.694 55.803 -0.034 0.000 0.843 273 Q CB -0.599 28.144 28.738 0.009 0.000 0.908 273 Q HN 0.528 nan 8.270 nan 0.000 0.420 274 A N 1.091 124.020 122.820 0.182 0.000 1.978 274 A HA -0.256 4.074 4.320 0.018 0.000 0.220 274 A C 2.108 179.803 177.584 0.185 0.000 1.170 274 A CA 1.805 54.096 52.037 0.424 0.000 0.636 274 A CB -0.600 18.743 19.000 0.571 0.000 0.810 274 A HN 0.478 nan 8.150 nan 0.000 0.448 275 Q N -0.461 119.381 119.800 0.070 0.000 1.993 275 Q HA -0.251 4.099 4.340 0.018 0.000 0.202 275 Q C 2.135 178.083 176.000 -0.088 0.000 0.984 275 Q CA 1.960 57.744 55.803 -0.031 0.000 0.837 275 Q CB -0.243 28.494 28.738 -0.002 0.000 0.902 275 Q HN 0.790 nan 8.270 nan 0.000 0.423 276 E N -0.124 120.014 120.200 -0.102 0.000 2.077 276 E HA -0.200 4.161 4.350 0.018 0.000 0.193 276 E C 1.844 178.304 176.600 -0.234 0.000 0.989 276 E CA 1.233 57.553 56.400 -0.133 0.000 0.800 276 E CB 0.178 29.814 29.700 -0.107 0.000 0.746 276 E HN 0.285 nan 8.360 nan 0.000 0.452 277 K N -0.579 119.582 120.400 -0.397 0.000 2.005 277 K HA -0.052 4.279 4.320 0.018 0.000 0.206 277 K C 1.520 177.508 176.600 -1.020 0.000 1.044 277 K CA 1.253 57.037 56.287 -0.837 0.000 0.942 277 K CB -0.024 31.681 32.500 -1.325 0.000 0.727 277 K HN 0.124 nan 8.250 nan 0.000 0.439 278 F N 0.935 120.867 119.950 -0.030 0.000 2.653 278 F HA 0.278 4.817 4.527 0.019 0.000 0.304 278 F C 1.375 177.037 175.800 -0.230 0.000 1.092 278 F CA -0.742 57.189 58.000 -0.114 0.000 1.279 278 F CB -0.467 38.470 39.000 -0.106 0.000 1.044 278 F HN -0.033 nan 8.300 nan 0.000 0.564 279 G N 0.645 109.374 108.800 -0.119 0.000 2.504 279 G HA2 -0.121 3.850 3.960 0.018 0.000 0.291 279 G HA3 -0.121 3.850 3.960 0.018 0.000 0.291 279 G C -0.018 174.868 174.900 -0.024 0.000 1.345 279 G CA -0.635 44.425 45.100 -0.067 0.000 1.090 279 G HN 0.227 nan 8.290 nan 0.000 0.591 280 K N 0.312 120.729 120.400 0.028 0.000 2.367 280 K HA -0.034 4.296 4.320 0.018 0.000 0.275 280 K C 0.055 176.641 176.600 -0.024 0.000 1.125 280 K CA 0.842 57.132 56.287 0.006 0.000 1.133 280 K CB -0.428 32.061 32.500 -0.018 0.000 0.875 280 K HN 0.554 nan 8.250 nan 0.000 0.467 281 D N 3.699 124.084 120.400 -0.024 0.000 2.890 281 D HA -0.174 4.477 4.640 0.018 0.000 0.226 281 D C -0.601 175.681 176.300 -0.030 0.000 1.207 281 D CA 1.147 55.133 54.000 -0.024 0.000 0.764 281 D CB -0.045 40.743 40.800 -0.019 0.000 0.948 281 D HN 0.607 nan 8.370 nan 0.000 0.404 282 K N 0.295 120.673 120.400 -0.038 0.000 2.592 282 K HA 0.286 4.617 4.320 0.018 0.000 0.203 282 K C -0.335 176.241 176.600 -0.040 0.000 1.070 282 K CA -0.126 56.127 56.287 -0.057 0.000 1.062 282 K CB 1.246 33.685 32.500 -0.102 0.000 0.814 282 K HN 0.097 nan 8.250 nan 0.000 0.502 283 S N 1.038 116.751 115.700 0.022 0.000 2.724 283 S HA 0.055 4.535 4.470 0.018 0.000 0.189 283 S C -2.693 171.999 174.600 0.153 0.000 0.650 283 S CA -0.802 57.459 58.200 0.102 0.000 0.769 283 S CB 0.246 63.546 63.200 0.167 0.000 1.348 283 S HN -0.075 nan 8.310 nan 0.000 0.498 284 P HA -0.047 nan 4.420 nan 0.000 0.225 284 P C 1.287 178.665 177.300 0.130 0.000 1.148 284 P CA 0.595 63.752 63.100 0.095 0.000 0.779 284 P CB -0.005 31.736 31.700 0.068 0.000 0.780 285 K N -1.236 119.265 120.400 0.168 0.000 2.442 285 K HA -0.092 4.239 4.320 0.018 0.000 0.198 285 K C -0.277 176.484 176.600 0.269 0.000 1.044 285 K CA 0.620 57.021 56.287 0.190 0.000 0.948 285 K CB -0.145 32.478 32.500 0.205 0.000 0.762 285 K HN 0.043 nan 8.250 nan 0.000 0.472 286 F N -0.100 119.901 119.950 0.084 0.000 2.746 286 F HA 0.152 4.690 4.527 0.019 0.000 0.319 286 F C -2.334 173.505 175.800 0.065 0.000 1.091 286 F CA -0.765 57.234 58.000 -0.002 0.000 0.957 286 F CB 0.463 39.325 39.000 -0.231 0.000 1.256 286 F HN -0.040 nan 8.300 nan 0.000 0.477 287 Q N 5.551 124.718 119.800 -1.055 0.000 2.310 287 Q HA 0.472 4.823 4.340 0.018 0.000 0.270 287 Q C -0.057 175.007 176.000 -1.560 0.000 1.025 287 Q CA -0.880 54.345 55.803 -0.964 0.000 0.772 287 Q CB 2.906 31.416 28.738 -0.380 0.000 1.253 287 Q HN 0.756 nan 8.270 nan 0.000 0.450 288 L N 1.880 122.423 121.223 -1.132 0.000 2.131 288 L HA 0.080 4.431 4.340 0.018 0.000 0.206 288 L C 0.234 176.564 176.870 -0.900 0.000 1.087 288 L CA 1.713 55.865 54.840 -1.147 0.000 0.767 288 L CB 0.334 41.703 42.059 -1.150 0.000 0.917 288 L HN 0.592 nan 8.230 nan 0.000 0.441 289 F N -0.138 119.644 119.950 -0.280 0.000 2.942 289 F HA 0.633 5.172 4.527 0.019 0.000 0.324 289 F C 0.690 176.415 175.800 -0.124 0.000 1.265 289 F CA -0.523 57.389 58.000 -0.147 0.000 1.255 289 F CB 0.046 38.953 39.000 -0.155 0.000 1.048 289 F HN -0.039 nan 8.300 nan 0.000 0.512 290 G N -0.607 108.160 108.800 -0.054 0.000 2.733 290 G HA2 0.586 4.557 3.960 0.018 0.000 0.297 290 G HA3 0.586 4.557 3.960 0.018 0.000 0.297 290 G C -1.345 173.533 174.900 -0.037 0.000 1.422 290 G CA -0.709 44.370 45.100 -0.034 0.000 0.942 290 G HN 0.029 nan 8.290 nan 0.000 0.510 291 S N 1.677 117.383 115.700 0.009 0.000 2.548 291 S HA 0.765 5.246 4.470 0.018 0.000 0.286 291 S C -2.300 172.320 174.600 0.034 0.000 1.098 291 S CA -0.920 57.300 58.200 0.032 0.000 0.930 291 S CB 2.323 65.551 63.200 0.047 0.000 1.070 291 S HN 0.713 nan 8.310 nan 0.000 0.480 292 P HA 0.043 nan 4.420 nan 0.000 0.272 292 P C -0.245 177.078 177.300 0.037 0.000 1.243 292 P CA -0.232 62.894 63.100 0.043 0.000 0.803 292 P CB 0.222 31.952 31.700 0.050 0.000 0.974 293 S N -0.877 114.843 115.700 0.033 0.000 2.510 293 S HA 0.422 4.903 4.470 0.018 0.000 0.279 293 S C 1.235 175.854 174.600 0.032 0.000 1.284 293 S CA 0.751 58.969 58.200 0.030 0.000 1.059 293 S CB -1.089 62.127 63.200 0.026 0.000 0.901 293 S HN 0.878 nan 8.310 nan 0.000 0.491 294 G N 4.120 112.940 108.800 0.034 0.000 2.284 294 G HA2 -0.157 3.814 3.960 0.018 0.000 0.216 294 G HA3 -0.157 3.814 3.960 0.018 0.000 0.216 294 G C 0.020 174.945 174.900 0.042 0.000 1.009 294 G CA -0.202 44.919 45.100 0.035 0.000 0.625 294 G HN 0.655 nan 8.290 nan 0.000 0.501 295 Q N 0.412 120.238 119.800 0.044 0.000 2.193 295 Q HA 0.759 5.110 4.340 0.018 0.000 0.246 295 Q C -0.098 175.935 176.000 0.056 0.000 0.959 295 Q CA -0.064 55.770 55.803 0.052 0.000 0.904 295 Q CB 1.486 30.255 28.738 0.051 0.000 1.238 295 Q HN 0.381 nan 8.270 nan 0.000 0.469 296 K N 1.384 121.823 120.400 0.065 0.000 2.543 296 K HA 0.150 4.481 4.320 0.018 0.000 0.255 296 K C -1.366 175.282 176.600 0.080 0.000 0.934 296 K CA -0.539 55.790 56.287 0.069 0.000 0.810 296 K CB 1.640 34.183 32.500 0.071 0.000 1.315 296 K HN 0.551 nan 8.250 nan 0.000 0.433 297 D N 1.915 122.366 120.400 0.085 0.000 2.735 297 D HA -0.193 4.458 4.640 0.018 0.000 0.235 297 D C -0.214 176.145 176.300 0.099 0.000 1.175 297 D CA 0.736 54.803 54.000 0.111 0.000 0.683 297 D CB -0.539 40.344 40.800 0.139 0.000 1.008 297 D HN 0.204 nan 8.370 nan 0.000 0.416 298 L N 0.829 122.099 121.223 0.078 0.000 2.331 298 L HA 0.255 4.606 4.340 0.018 0.000 0.278 298 L C 2.186 179.053 176.870 -0.004 0.000 1.106 298 L CA 0.050 54.915 54.840 0.042 0.000 0.824 298 L CB 0.708 42.792 42.059 0.041 0.000 1.142 298 L HN 0.409 nan 8.230 nan 0.000 0.443 299 L N 1.672 122.850 121.223 -0.075 0.000 3.832 299 L HA -0.371 3.980 4.340 0.018 0.000 0.359 299 L C -0.204 176.403 176.870 -0.437 0.000 2.750 299 L CA 1.837 56.489 54.840 -0.314 0.000 2.342 299 L CB -0.871 40.849 42.059 -0.565 0.000 2.206 299 L HN 0.450 nan 8.230 nan 0.000 0.725 300 F N -1.236 118.834 119.950 0.199 0.000 2.620 300 F HA 0.500 5.039 4.527 0.019 0.000 0.320 300 F C 0.431 176.394 175.800 0.272 0.000 1.069 300 F CA -1.038 57.163 58.000 0.336 0.000 0.953 300 F CB 0.573 39.890 39.000 0.528 0.000 1.322 300 F HN -0.287 nan 8.300 nan 0.000 0.479 301 K N 2.220 122.890 120.400 0.449 0.000 2.336 301 K HA 0.058 4.389 4.320 0.018 0.000 0.290 301 K C -0.890 175.811 176.600 0.168 0.000 1.067 301 K CA 0.018 56.438 56.287 0.222 0.000 0.962 301 K CB -0.380 32.213 32.500 0.156 0.000 1.008 301 K HN 0.517 nan 8.250 nan 0.000 0.467 302 D N 1.850 122.317 120.400 0.112 0.000 2.571 302 D HA -0.092 4.559 4.640 0.018 0.000 0.231 302 D C 0.257 176.545 176.300 -0.019 0.000 1.133 302 D CA 0.777 54.822 54.000 0.075 0.000 0.862 302 D CB 0.277 41.097 40.800 0.035 0.000 1.179 302 D HN 0.517 nan 8.370 nan 0.000 0.474 303 S N -1.233 114.462 115.700 -0.008 0.000 3.586 303 S HA -0.160 4.321 4.470 0.018 0.000 0.309 303 S C 0.318 174.791 174.600 -0.213 0.000 1.195 303 S CA 0.567 58.706 58.200 -0.103 0.000 0.895 303 S CB -1.515 61.618 63.200 -0.112 0.000 0.983 303 S HN 0.801 nan 8.310 nan 0.000 0.563 304 A N 0.947 123.530 122.820 -0.394 0.000 2.287 304 A HA 0.768 5.099 4.320 0.018 0.000 0.273 304 A C 1.283 178.416 177.584 -0.752 0.000 1.091 304 A CA -0.023 51.671 52.037 -0.572 0.000 0.817 304 A CB 0.253 18.636 19.000 -1.029 0.000 1.069 304 A HN 0.991 nan 8.150 nan 0.000 0.492 305 I N -2.758 117.456 120.570 -0.594 0.000 4.227 305 I HA 0.575 4.756 4.170 0.018 0.000 0.334 305 I C 0.556 176.431 176.117 -0.404 0.000 1.341 305 I CA 0.349 61.408 61.300 -0.402 0.000 1.123 305 I CB 0.056 37.927 38.000 -0.215 0.000 1.097 305 I HN 0.799 nan 8.210 nan 0.000 0.399 306 G N 1.095 109.510 108.800 -0.641 0.000 2.323 306 G HA2 0.373 4.344 3.960 0.018 0.000 0.291 306 G HA3 0.373 4.344 3.960 0.018 0.000 0.291 306 G C -1.850 172.662 174.900 -0.647 0.000 1.278 306 G CA -0.698 44.058 45.100 -0.573 0.000 0.860 306 G HN 0.025 nan 8.290 nan 0.000 0.504 307 F N 0.074 120.082 119.950 0.097 0.000 2.556 307 F HA 0.879 5.416 4.527 0.018 0.000 0.327 307 F C 0.596 176.600 175.800 0.340 0.000 1.059 307 F CA -1.089 57.051 58.000 0.233 0.000 0.953 307 F CB 2.469 41.716 39.000 0.412 0.000 1.227 307 F HN 0.520 nan 8.300 nan 0.000 0.478 308 S N 1.210 117.233 115.700 0.538 0.000 2.614 308 S HA 0.508 4.989 4.470 0.018 0.000 0.275 308 S C -0.843 173.839 174.600 0.137 0.000 1.161 308 S CA -0.855 57.553 58.200 0.347 0.000 0.969 308 S CB 0.860 64.234 63.200 0.290 0.000 1.059 308 S HN 0.626 nan 8.310 nan 0.000 0.482 309 R N 2.189 122.532 120.500 -0.261 0.000 2.643 309 R HA 0.343 4.694 4.340 0.018 0.000 0.270 309 R C -0.662 175.416 176.300 -0.370 0.000 1.061 309 R CA -0.308 55.444 56.100 -0.581 0.000 1.107 309 R CB 0.683 30.440 30.300 -0.904 0.000 0.999 309 R HN 0.446 nan 8.270 nan 0.000 0.460 310 V N 5.515 125.141 119.914 -0.480 0.000 2.333 310 V HA 0.176 4.307 4.120 0.018 0.000 0.274 310 V C -1.989 173.785 176.094 -0.533 0.000 1.028 310 V CA -2.199 59.648 62.300 -0.756 0.000 0.851 310 V CB 1.303 32.851 31.823 -0.458 0.000 1.000 310 V HN 0.665 nan 8.190 nan 0.000 0.456 311 P HA 0.033 nan 4.420 nan 0.000 0.260 311 P C -1.819 175.352 177.300 -0.215 0.000 1.172 311 P CA -0.912 62.019 63.100 -0.282 0.000 0.760 311 P CB 0.050 31.641 31.700 -0.182 0.000 0.773 312 P HA -0.183 nan 4.420 nan 0.000 0.219 312 P C 1.355 178.601 177.300 -0.090 0.000 1.144 312 P CA 1.222 64.254 63.100 -0.114 0.000 0.806 312 P CB 0.132 31.779 31.700 -0.088 0.000 0.771 313 R N 0.053 120.505 120.500 -0.081 0.000 2.189 313 R HA 0.071 4.422 4.340 0.018 0.000 0.223 313 R C 1.065 177.329 176.300 -0.060 0.000 1.092 313 R CA 0.357 56.423 56.100 -0.058 0.000 0.989 313 R CB -1.127 29.148 30.300 -0.041 0.000 0.876 313 R HN 0.185 nan 8.270 nan 0.000 0.457 314 I N 2.096 122.620 120.570 -0.076 0.000 2.441 314 I HA 0.067 4.248 4.170 0.018 0.000 0.287 314 I C 0.047 176.136 176.117 -0.046 0.000 1.049 314 I CA -0.515 60.754 61.300 -0.052 0.000 1.381 314 I CB 0.835 38.806 38.000 -0.049 0.000 1.409 314 I HN 0.228 nan 8.210 nan 0.000 0.523 315 D N 3.422 123.801 120.400 -0.034 0.000 2.569 315 D HA 0.225 4.876 4.640 0.018 0.000 0.266 315 D C 0.954 177.242 176.300 -0.020 0.000 1.164 315 D CA -0.600 53.374 54.000 -0.044 0.000 1.071 315 D CB 0.630 41.393 40.800 -0.062 0.000 1.183 315 D HN 0.453 nan 8.370 nan 0.000 0.613 316 S N -0.856 114.821 115.700 -0.038 0.000 2.353 316 S HA -0.118 4.363 4.470 0.018 0.000 0.222 316 S C 2.188 176.718 174.600 -0.116 0.000 1.035 316 S CA 1.224 59.428 58.200 0.006 0.000 1.025 316 S CB -1.600 61.620 63.200 0.033 0.000 0.902 316 S HN 0.730 nan 8.310 nan 0.000 0.440 317 G N 1.924 110.474 108.800 -0.417 0.000 2.476 317 G HA2 -0.115 3.856 3.960 0.018 0.000 0.218 317 G HA3 -0.115 3.856 3.960 0.018 0.000 0.218 317 G C 1.479 175.976 174.900 -0.672 0.000 1.164 317 G CA 1.144 45.542 45.100 -1.171 0.000 0.768 317 G HN 0.511 nan 8.290 nan 0.000 0.560 318 L N -1.444 119.612 121.223 -0.278 0.000 2.179 318 L HA 0.102 4.453 4.340 0.018 0.000 0.208 318 L C 2.511 179.378 176.870 -0.004 0.000 1.096 318 L CA 0.533 55.306 54.840 -0.111 0.000 0.779 318 L CB -0.388 41.633 42.059 -0.063 0.000 0.922 318 L HN 0.257 nan 8.230 nan 0.000 0.443 319 Y N 1.012 121.277 120.300 -0.058 0.000 2.128 319 Y HA -0.277 4.284 4.550 0.018 0.000 0.284 319 Y C 2.310 178.268 175.900 0.097 0.000 1.154 319 Y CA 1.644 59.777 58.100 0.055 0.000 1.149 319 Y CB -0.174 38.325 38.460 0.065 0.000 0.976 319 Y HN 0.004 nan 8.280 nan 0.000 0.505 320 L N -0.257 121.092 121.223 0.210 0.000 2.083 320 L HA 0.006 4.357 4.340 0.018 0.000 0.209 320 L C 1.138 178.106 176.870 0.162 0.000 1.083 320 L CA 0.890 55.878 54.840 0.246 0.000 0.752 320 L CB -1.187 41.050 42.059 0.297 0.000 0.899 320 L HN 0.495 nan 8.230 nan 0.000 0.433 321 G N -0.931 107.904 108.800 0.059 0.000 2.907 321 G HA2 -0.203 3.768 3.960 0.018 0.000 0.686 321 G HA3 -0.203 3.768 3.960 0.018 0.000 0.686 321 G C 0.659 175.642 174.900 0.139 0.000 1.115 321 G CA -0.117 45.020 45.100 0.060 0.000 0.760 321 G HN 0.210 nan 8.290 nan 0.000 0.620 322 S N 1.239 116.998 115.700 0.099 0.000 2.368 322 S HA -0.107 4.374 4.470 0.018 0.000 0.226 322 S C 2.744 177.430 174.600 0.143 0.000 1.044 322 S CA 2.487 60.770 58.200 0.138 0.000 1.062 322 S CB -0.987 62.264 63.200 0.084 0.000 0.931 322 S HN 2.346 nan 8.310 nan 0.000 0.440 323 G N 0.807 109.668 108.800 0.102 0.000 2.628 323 G HA2 -0.283 3.688 3.960 0.018 0.000 0.217 323 G HA3 -0.283 3.688 3.960 0.018 0.000 0.217 323 G C 1.353 176.337 174.900 0.140 0.000 1.240 323 G CA 1.223 46.379 45.100 0.092 0.000 0.792 323 G HN 0.567 nan 8.290 nan 0.000 0.593 324 Y N 0.509 120.827 120.300 0.029 0.000 2.242 324 Y HA 0.003 4.564 4.550 0.018 0.000 0.291 324 Y C 2.362 178.310 175.900 0.079 0.000 1.137 324 Y CA 0.834 58.950 58.100 0.026 0.000 1.181 324 Y CB -0.591 37.882 38.460 0.023 0.000 0.989 324 Y HN 0.175 nan 8.280 nan 0.000 0.527 325 F N 1.050 120.947 119.950 -0.087 0.000 2.065 325 F HA -0.259 4.279 4.527 0.019 0.000 0.298 325 F C 2.595 178.275 175.800 -0.201 0.000 1.112 325 F CA 2.598 60.492 58.000 -0.175 0.000 1.212 325 F CB -1.068 37.925 39.000 -0.012 0.000 0.975 325 F HN 0.148 nan 8.300 nan 0.000 0.476 326 T N -1.587 112.861 114.554 -0.177 0.000 3.035 326 T HA 0.091 4.452 4.350 0.018 0.000 0.268 326 T C 2.056 176.599 174.700 -0.263 0.000 1.109 326 T CA 0.685 62.611 62.100 -0.292 0.000 1.119 326 T CB -0.881 67.909 68.868 -0.128 0.000 0.900 326 T HN 0.272 nan 8.240 nan 0.000 0.503 327 A N 1.474 124.165 122.820 -0.215 0.000 1.969 327 A HA 0.202 4.533 4.320 0.018 0.000 0.218 327 A C 2.272 179.679 177.584 -0.294 0.000 1.169 327 A CA 0.837 52.764 52.037 -0.184 0.000 0.635 327 A CB -0.665 18.296 19.000 -0.065 0.000 0.810 327 A HN 0.592 nan 8.150 nan 0.000 0.445 328 I N -0.990 119.282 120.570 -0.496 0.000 2.233 328 I HA -0.256 3.925 4.170 0.018 0.000 0.243 328 I C 2.692 178.534 176.117 -0.459 0.000 1.093 328 I CA 1.152 62.107 61.300 -0.576 0.000 1.380 328 I CB -0.567 36.847 38.000 -0.978 0.000 1.067 328 I HN 0.380 nan 8.210 nan 0.000 0.413 329 Q N 1.043 120.548 119.800 -0.492 0.000 2.096 329 Q HA -0.269 4.082 4.340 0.018 0.000 0.208 329 Q C 1.777 177.678 176.000 -0.164 0.000 0.993 329 Q CA 2.075 57.694 55.803 -0.306 0.000 0.862 329 Q CB -0.369 28.172 28.738 -0.327 0.000 0.915 329 Q HN 0.576 nan 8.270 nan 0.000 0.416 330 N N 0.085 118.685 118.700 -0.167 0.000 2.519 330 N HA -0.103 4.648 4.740 0.018 0.000 0.186 330 N C 1.071 176.559 175.510 -0.037 0.000 1.062 330 N CA 0.172 53.176 53.050 -0.077 0.000 0.910 330 N CB -0.009 38.431 38.487 -0.078 0.000 0.958 330 N HN 0.231 nan 8.380 nan 0.000 0.445 331 L N 0.280 121.447 121.223 -0.094 0.000 2.610 331 L HA 0.013 4.364 4.340 0.018 0.000 0.232 331 L C 0.764 177.623 176.870 -0.017 0.000 1.149 331 L CA 0.628 55.399 54.840 -0.114 0.000 0.872 331 L CB 0.072 42.037 42.059 -0.157 0.000 0.992 331 L HN 0.060 nan 8.230 nan 0.000 0.447 332 R N -0.104 120.441 120.500 0.074 0.000 2.690 332 R HA 0.270 4.621 4.340 0.018 0.000 0.419 332 R C -0.755 175.667 176.300 0.203 0.000 1.090 332 R CA -0.084 56.125 56.100 0.181 0.000 1.064 332 R CB 0.537 30.886 30.300 0.082 0.000 1.391 332 R HN 0.060 nan 8.270 nan 0.000 0.586 333 K N 0.272 120.815 120.400 0.238 0.000 2.523 333 K HA 0.277 4.608 4.320 0.018 0.000 0.257 333 K C -0.405 176.213 176.600 0.030 0.000 0.932 333 K CA -0.743 55.597 56.287 0.087 0.000 0.812 333 K CB 2.132 34.652 32.500 0.033 0.000 1.326 333 K HN 0.045 nan 8.250 nan 0.000 0.433 334 S N 0.509 116.136 115.700 -0.121 0.000 2.592 334 S HA -0.020 4.461 4.470 0.018 0.000 0.256 334 S C 0.924 175.468 174.600 -0.093 0.000 1.369 334 S CA -0.263 57.797 58.200 -0.234 0.000 0.984 334 S CB 0.448 63.517 63.200 -0.218 0.000 0.919 334 S HN 0.672 nan 8.310 nan 0.000 0.576 335 E N 0.632 120.772 120.200 -0.100 0.000 2.274 335 E HA -0.121 4.240 4.350 0.018 0.000 0.194 335 E C 1.562 178.129 176.600 -0.056 0.000 0.996 335 E CA 1.074 57.445 56.400 -0.050 0.000 0.840 335 E CB -0.131 29.539 29.700 -0.051 0.000 0.772 335 E HN 0.675 nan 8.360 nan 0.000 0.491 336 E N 0.986 121.142 120.200 -0.074 0.000 2.122 336 E HA -0.123 4.238 4.350 0.018 0.000 0.190 336 E C 1.783 178.352 176.600 -0.052 0.000 0.977 336 E CA 0.659 57.022 56.400 -0.062 0.000 0.820 336 E CB -0.021 29.638 29.700 -0.070 0.000 0.770 336 E HN 0.262 nan 8.360 nan 0.000 0.462 337 E N 0.530 120.696 120.200 -0.056 0.000 2.152 337 E HA -0.114 4.247 4.350 0.018 0.000 0.192 337 E C 1.691 178.270 176.600 -0.035 0.000 0.983 337 E CA 0.734 57.107 56.400 -0.044 0.000 0.818 337 E CB 0.187 29.860 29.700 -0.045 0.000 0.758 337 E HN 0.065 nan 8.360 nan 0.000 0.467 338 V N 0.800 120.695 119.914 -0.032 0.000 2.548 338 V HA -0.145 3.986 4.120 0.018 0.000 0.249 338 V C 2.259 178.336 176.094 -0.029 0.000 1.055 338 V CA 1.638 63.922 62.300 -0.027 0.000 1.065 338 V CB -0.145 31.667 31.823 -0.018 0.000 0.681 338 V HN 0.452 nan 8.190 nan 0.000 0.462 339 A N -0.510 122.291 122.820 -0.032 0.000 2.016 339 A HA 0.129 4.460 4.320 0.018 0.000 0.217 339 A C 2.325 179.892 177.584 -0.028 0.000 1.162 339 A CA 1.438 53.457 52.037 -0.030 0.000 0.662 339 A CB -0.407 18.572 19.000 -0.035 0.000 0.812 339 A HN 0.517 nan 8.150 nan 0.000 0.450 340 A N 0.171 122.973 122.820 -0.031 0.000 1.897 340 A HA -0.073 4.258 4.320 0.018 0.000 0.215 340 A C 2.143 179.712 177.584 -0.025 0.000 1.181 340 A CA 1.808 53.827 52.037 -0.029 0.000 0.620 340 A CB -0.397 18.583 19.000 -0.032 0.000 0.821 340 A HN 0.426 nan 8.150 nan 0.000 0.443 341 R N 0.340 120.825 120.500 -0.025 0.000 2.096 341 R HA -0.062 4.289 4.340 0.018 0.000 0.235 341 R C 2.099 178.390 176.300 -0.015 0.000 1.127 341 R CA 1.832 57.919 56.100 -0.021 0.000 0.968 341 R CB -0.468 29.817 30.300 -0.024 0.000 0.861 341 R HN 0.559 nan 8.270 nan 0.000 0.440 342 R N -0.683 119.808 120.500 -0.016 0.000 2.148 342 R HA 0.075 4.426 4.340 0.018 0.000 0.223 342 R C 2.039 178.337 176.300 -0.004 0.000 1.088 342 R CA 1.078 57.172 56.100 -0.009 0.000 0.985 342 R CB -0.176 30.117 30.300 -0.013 0.000 0.880 342 R HN 0.260 nan 8.270 nan 0.000 0.451 343 A N 1.171 123.986 122.820 -0.009 0.000 2.072 343 A HA -0.036 4.295 4.320 0.018 0.000 0.216 343 A C 1.160 178.743 177.584 -0.001 0.000 1.156 343 A CA 0.113 52.146 52.037 -0.006 0.000 0.701 343 A CB -0.089 18.902 19.000 -0.016 0.000 0.816 343 A HN 0.090 nan 8.150 nan 0.000 0.458 344 R N 0.313 120.809 120.500 -0.006 0.000 2.297 344 R HA 0.449 4.800 4.340 0.018 0.000 0.308 344 R C -1.539 174.767 176.300 0.009 0.000 1.029 344 R CA -0.223 55.871 56.100 -0.009 0.000 0.929 344 R CB 0.903 31.191 30.300 -0.021 0.000 1.046 344 R HN 0.042 nan 8.270 nan 0.000 0.461 345 V N 6.020 125.945 119.914 0.019 0.000 2.348 345 V HA 0.175 4.306 4.120 0.018 0.000 0.270 345 V C -0.178 175.953 176.094 0.060 0.000 1.037 345 V CA -0.579 61.762 62.300 0.067 0.000 0.872 345 V CB 1.450 33.357 31.823 0.140 0.000 1.002 345 V HN 0.514 nan 8.190 nan 0.000 0.464 346 V N 5.370 125.321 119.914 0.061 0.000 2.385 346 V HA 0.267 4.398 4.120 0.018 0.000 0.269 346 V C -0.056 176.111 176.094 0.121 0.000 1.043 346 V CA -0.583 61.752 62.300 0.060 0.000 0.906 346 V CB 1.184 33.020 31.823 0.022 0.000 0.995 346 V HN 0.832 nan 8.190 nan 0.000 0.467 347 W N 5.067 126.331 121.300 -0.060 0.000 2.365 347 W HA 0.377 5.049 4.660 0.019 0.000 0.316 347 W C -0.272 176.244 176.519 -0.004 0.000 1.164 347 W CA -0.625 56.713 57.345 -0.012 0.000 1.204 347 W CB 1.694 31.163 29.460 0.016 0.000 1.213 347 W HN 0.542 nan 8.180 nan 0.000 0.539 348 c N 5.433 123.949 118.600 -0.140 0.000 2.307 348 c HA 0.733 5.314 4.570 0.018 0.000 0.340 348 c C 0.269 174.398 174.090 0.065 0.000 1.275 348 c CA -0.221 56.074 56.329 -0.057 0.000 1.811 348 c CB -0.581 41.846 42.510 -0.139 0.000 2.372 348 c HN 0.586 nan 8.230 nan 0.000 0.531 349 A N 5.048 127.937 122.820 0.116 0.000 2.318 349 A HA 0.697 5.028 4.320 0.018 0.000 0.324 349 A C -0.765 176.845 177.584 0.043 0.000 1.170 349 A CA -0.337 51.781 52.037 0.135 0.000 0.810 349 A CB 0.927 20.026 19.000 0.165 0.000 1.198 349 A HN 0.774 nan 8.150 nan 0.000 0.484 350 V N 2.802 122.731 119.914 0.025 0.000 2.277 350 V HA 0.657 4.788 4.120 0.018 0.000 0.269 350 V C 0.798 176.866 176.094 -0.043 0.000 1.036 350 V CA 0.695 62.974 62.300 -0.034 0.000 0.821 350 V CB -0.413 31.371 31.823 -0.066 0.000 1.052 350 V HN 1.978 nan 8.190 nan 0.000 0.462 351 G N 4.425 113.200 108.800 -0.041 0.000 2.712 351 G HA2 -0.099 3.872 3.960 0.018 0.000 0.683 351 G HA3 -0.099 3.872 3.960 0.018 0.000 0.683 351 G C 0.120 175.017 174.900 -0.006 0.000 1.320 351 G CA -0.056 45.018 45.100 -0.043 0.000 0.847 351 G HN 0.579 nan 8.290 nan 0.000 0.553 352 E N 0.223 120.418 120.200 -0.009 0.000 2.035 352 E HA -0.173 4.188 4.350 0.018 0.000 0.204 352 E C 2.714 179.328 176.600 0.024 0.000 1.025 352 E CA 2.448 58.851 56.400 0.006 0.000 0.835 352 E CB -0.330 29.370 29.700 -0.000 0.000 0.764 352 E HN 0.702 nan 8.360 nan 0.000 0.457 353 Q N 0.370 120.186 119.800 0.026 0.000 2.077 353 Q HA -0.211 4.140 4.340 0.018 0.000 0.206 353 Q C 2.235 178.276 176.000 0.069 0.000 0.989 353 Q CA 1.638 57.470 55.803 0.047 0.000 0.853 353 Q CB -0.266 28.501 28.738 0.048 0.000 0.907 353 Q HN 0.404 nan 8.270 nan 0.000 0.418 354 E N 0.290 120.529 120.200 0.065 0.000 2.150 354 E HA -0.161 4.200 4.350 0.018 0.000 0.193 354 E C 1.968 178.631 176.600 0.104 0.000 0.985 354 E CA 0.481 56.938 56.400 0.097 0.000 0.814 354 E CB -0.034 29.726 29.700 0.101 0.000 0.752 354 E HN 0.159 nan 8.360 nan 0.000 0.466 355 L N 1.531 122.799 121.223 0.074 0.000 2.046 355 L HA -0.161 4.190 4.340 0.018 0.000 0.208 355 L C 2.078 178.986 176.870 0.063 0.000 1.077 355 L CA 1.689 56.570 54.840 0.068 0.000 0.747 355 L CB -0.279 41.804 42.059 0.039 0.000 0.896 355 L HN -0.087 nan 8.230 nan 0.000 0.432 356 R N -0.316 120.218 120.500 0.057 0.000 2.083 356 R HA -0.206 4.145 4.340 0.018 0.000 0.237 356 R C 2.339 178.681 176.300 0.070 0.000 1.137 356 R CA 1.875 58.005 56.100 0.050 0.000 0.951 356 R CB -0.505 29.823 30.300 0.045 0.000 0.851 356 R HN 0.351 nan 8.270 nan 0.000 0.434 357 K N 0.531 120.996 120.400 0.108 0.000 2.148 357 K HA -0.159 4.172 4.320 0.018 0.000 0.204 357 K C 2.157 178.867 176.600 0.183 0.000 1.050 357 K CA 1.409 57.796 56.287 0.168 0.000 0.942 357 K CB -0.239 32.382 32.500 0.202 0.000 0.724 357 K HN 0.236 nan 8.250 nan 0.000 0.446 358 c N 1.476 120.178 118.600 0.169 0.000 2.429 358 c HA -0.076 4.504 4.570 0.018 0.000 0.277 358 c C 2.342 176.470 174.090 0.064 0.000 1.262 358 c CA 1.006 57.449 56.329 0.189 0.000 1.733 358 c CB -1.240 41.369 42.510 0.165 0.000 2.010 358 c HN 0.571 nan 8.230 nan 0.000 0.483 359 N N 0.498 119.206 118.700 0.014 0.000 2.000 359 N HA -0.216 4.535 4.740 0.018 0.000 0.198 359 N C 1.778 177.217 175.510 -0.118 0.000 1.057 359 N CA 1.732 54.752 53.050 -0.049 0.000 0.858 359 N CB -1.096 37.371 38.487 -0.032 0.000 1.057 359 N HN 0.704 nan 8.380 nan 0.000 0.423 360 Q N -0.849 118.881 119.800 -0.117 0.000 2.344 360 Q HA -0.205 4.146 4.340 0.018 0.000 0.212 360 Q C 1.624 177.301 176.000 -0.537 0.000 0.991 360 Q CA 1.448 57.102 55.803 -0.249 0.000 0.897 360 Q CB -0.144 28.507 28.738 -0.146 0.000 0.915 360 Q HN 0.546 nan 8.270 nan 0.000 0.438 361 W N -0.363 120.497 121.300 -0.732 0.000 2.704 361 W HA 0.156 4.827 4.660 0.018 0.000 0.266 361 W C 2.145 178.357 176.519 -0.511 0.000 1.266 361 W CA 0.739 57.503 57.345 -0.970 0.000 1.377 361 W CB -0.742 28.392 29.460 -0.542 0.000 1.082 361 W HN 0.012 nan 8.180 nan 0.000 0.608 362 S N 0.378 115.894 115.700 -0.307 0.000 2.351 362 S HA -0.124 4.357 4.470 0.018 0.000 0.220 362 S C 2.210 176.670 174.600 -0.234 0.000 1.035 362 S CA 2.436 60.442 58.200 -0.323 0.000 1.031 362 S CB -1.204 61.867 63.200 -0.215 0.000 0.928 362 S HN 0.354 nan 8.310 nan 0.000 0.433 363 G N 1.086 109.765 108.800 -0.201 0.000 2.503 363 G HA2 -0.173 3.798 3.960 0.018 0.000 0.221 363 G HA3 -0.173 3.798 3.960 0.018 0.000 0.221 363 G C 1.037 175.857 174.900 -0.133 0.000 1.131 363 G CA 1.208 46.218 45.100 -0.151 0.000 0.756 363 G HN 0.508 nan 8.290 nan 0.000 0.572 364 L N 1.524 122.628 121.223 -0.198 0.000 2.592 364 L HA 0.184 4.535 4.340 0.018 0.000 0.227 364 L C 2.644 179.599 176.870 0.142 0.000 1.127 364 L CA 1.023 55.823 54.840 -0.066 0.000 0.884 364 L CB 0.375 42.235 42.059 -0.331 0.000 1.065 364 L HN 0.319 nan 8.230 nan 0.000 0.457 365 S N -0.976 114.731 115.700 0.012 0.000 2.461 365 S HA -0.052 4.428 4.470 0.018 0.000 0.228 365 S C 0.591 175.247 174.600 0.093 0.000 1.005 365 S CA 0.096 58.340 58.200 0.073 0.000 0.942 365 S CB -0.313 62.764 63.200 -0.204 0.000 0.776 365 S HN 0.499 nan 8.310 nan 0.000 0.514 366 E N 0.379 120.603 120.200 0.040 0.000 2.305 366 E HA -0.129 4.232 4.350 0.018 0.000 0.242 366 E C 0.684 177.284 176.600 -0.000 0.000 1.143 366 E CA 0.085 56.506 56.400 0.034 0.000 0.716 366 E CB -2.122 27.621 29.700 0.073 0.000 1.255 366 E HN 0.861 nan 8.360 nan 0.000 0.391 367 G N -0.027 108.752 108.800 -0.036 0.000 2.196 367 G HA2 -0.460 3.510 3.960 0.018 0.000 0.268 367 G HA3 -0.460 3.510 3.960 0.018 0.000 0.268 367 G C 0.959 175.825 174.900 -0.057 0.000 0.975 367 G CA 1.254 46.324 45.100 -0.051 0.000 0.648 367 G HN 0.965 nan 8.290 nan 0.000 0.538 368 S N -1.614 114.056 115.700 -0.049 0.000 2.489 368 S HA 0.463 4.944 4.470 0.018 0.000 0.228 368 S C 0.686 175.226 174.600 -0.100 0.000 0.995 368 S CA 0.915 59.090 58.200 -0.041 0.000 0.934 368 S CB 0.656 63.868 63.200 0.020 0.000 0.771 368 S HN 0.980 nan 8.310 nan 0.000 0.522 369 V N 1.096 120.880 119.914 -0.217 0.000 2.577 369 V HA 0.652 4.783 4.120 0.018 0.000 0.303 369 V C -0.290 175.617 176.094 -0.312 0.000 1.042 369 V CA -0.503 61.580 62.300 -0.362 0.000 0.872 369 V CB 1.634 32.910 31.823 -0.911 0.000 0.998 369 V HN 0.371 nan 8.190 nan 0.000 0.423 370 T N 3.472 117.915 114.554 -0.184 0.000 2.907 370 T HA 0.607 4.967 4.350 0.018 0.000 0.290 370 T C -0.703 173.961 174.700 -0.061 0.000 1.066 370 T CA -0.230 61.795 62.100 -0.124 0.000 1.012 370 T CB 1.470 70.294 68.868 -0.073 0.000 1.184 370 T HN 0.756 nan 8.240 nan 0.000 0.522 371 c N 1.755 120.339 118.600 -0.027 0.000 2.435 371 c HA 0.902 5.483 4.570 0.018 0.000 0.333 371 c C 0.442 174.557 174.090 0.042 0.000 1.202 371 c CA -0.536 55.817 56.329 0.041 0.000 1.830 371 c CB 1.148 43.680 42.510 0.036 0.000 2.326 371 c HN 0.902 nan 8.230 nan 0.000 0.507 372 S N 0.536 116.277 115.700 0.069 0.000 2.704 372 S HA 0.891 5.372 4.470 0.018 0.000 0.296 372 S C -0.856 173.766 174.600 0.038 0.000 1.138 372 S CA -0.268 57.955 58.200 0.037 0.000 0.875 372 S CB 1.852 65.066 63.200 0.023 0.000 1.151 372 S HN 0.951 nan 8.310 nan 0.000 0.500 373 S N -0.311 115.398 115.700 0.016 0.000 2.625 373 S HA 0.882 5.363 4.470 0.018 0.000 0.271 373 S C -1.596 172.998 174.600 -0.010 0.000 1.161 373 S CA 0.133 58.339 58.200 0.011 0.000 0.820 373 S CB 1.248 64.457 63.200 0.015 0.000 1.137 373 S HN 1.529 nan 8.310 nan 0.000 0.470 374 A N 0.698 123.505 122.820 -0.022 0.000 2.586 374 A HA 0.695 5.025 4.320 0.018 0.000 0.290 374 A C 0.146 177.701 177.584 -0.048 0.000 1.086 374 A CA 0.099 52.113 52.037 -0.038 0.000 0.665 374 A CB 0.706 19.677 19.000 -0.049 0.000 1.279 374 A HN 1.452 nan 8.150 nan 0.000 0.423 375 S N -0.931 114.736 115.700 -0.055 0.000 2.540 375 S HA 0.397 4.878 4.470 0.018 0.000 0.218 375 S C 0.485 175.032 174.600 -0.088 0.000 0.977 375 S CA 0.793 58.952 58.200 -0.069 0.000 0.918 375 S CB -0.449 62.715 63.200 -0.058 0.000 0.806 375 S HN 2.041 nan 8.310 nan 0.000 0.496 376 T N -2.772 111.730 114.554 -0.087 0.000 2.923 376 T HA 0.442 4.803 4.350 0.018 0.000 0.311 376 T C 0.679 175.300 174.700 -0.131 0.000 1.183 376 T CA -0.348 61.692 62.100 -0.100 0.000 1.020 376 T CB 1.276 70.100 68.868 -0.073 0.000 1.165 376 T HN -0.118 nan 8.240 nan 0.000 0.482 377 T N 1.797 116.232 114.554 -0.198 0.000 2.635 377 T HA -0.132 4.229 4.350 0.018 0.000 0.267 377 T C 1.615 176.163 174.700 -0.253 0.000 1.040 377 T CA 2.194 64.101 62.100 -0.321 0.000 1.156 377 T CB -0.474 67.941 68.868 -0.755 0.000 0.863 377 T HN 0.804 nan 8.240 nan 0.000 0.430 378 E N 1.311 121.393 120.200 -0.198 0.000 2.097 378 E HA -0.134 4.227 4.350 0.018 0.000 0.196 378 E C 2.061 178.614 176.600 -0.078 0.000 1.000 378 E CA 1.283 57.627 56.400 -0.094 0.000 0.804 378 E CB -0.408 29.273 29.700 -0.030 0.000 0.740 378 E HN 0.427 nan 8.360 nan 0.000 0.454 379 D N -0.729 119.625 120.400 -0.077 0.000 2.218 379 D HA -0.106 4.545 4.640 0.018 0.000 0.204 379 D C 1.601 177.860 176.300 -0.068 0.000 0.976 379 D CA 0.649 54.612 54.000 -0.062 0.000 0.853 379 D CB -0.318 40.449 40.800 -0.055 0.000 0.939 379 D HN 0.228 nan 8.370 nan 0.000 0.481 380 c N 0.008 118.554 118.600 -0.091 0.000 2.486 380 c HA 0.094 4.675 4.570 0.018 0.000 0.279 380 c C 2.740 176.768 174.090 -0.104 0.000 1.302 380 c CA -0.179 56.089 56.329 -0.101 0.000 1.720 380 c CB -0.687 41.749 42.510 -0.123 0.000 2.030 380 c HN 0.324 nan 8.230 nan 0.000 0.490 381 I N 1.262 121.770 120.570 -0.104 0.000 2.394 381 I HA -0.167 4.014 4.170 0.018 0.000 0.251 381 I C 2.680 178.760 176.117 -0.061 0.000 1.136 381 I CA 1.436 62.686 61.300 -0.083 0.000 1.425 381 I CB -0.466 37.496 38.000 -0.063 0.000 1.079 381 I HN 0.280 nan 8.210 nan 0.000 0.425 382 A N 1.113 123.901 122.820 -0.053 0.000 1.898 382 A HA -0.096 4.235 4.320 0.018 0.000 0.216 382 A C 2.259 179.822 177.584 -0.036 0.000 1.181 382 A CA 1.144 53.156 52.037 -0.042 0.000 0.620 382 A CB -0.692 18.284 19.000 -0.041 0.000 0.819 382 A HN 0.374 nan 8.150 nan 0.000 0.442 383 L N -0.464 120.738 121.223 -0.035 0.000 2.141 383 L HA -0.128 4.223 4.340 0.018 0.000 0.209 383 L C 2.419 179.283 176.870 -0.011 0.000 1.094 383 L CA 0.736 55.567 54.840 -0.014 0.000 0.763 383 L CB -0.664 41.385 42.059 -0.018 0.000 0.908 383 L HN 0.213 nan 8.230 nan 0.000 0.437 384 V N 0.321 120.212 119.914 -0.040 0.000 2.295 384 V HA -0.273 3.858 4.120 0.018 0.000 0.246 384 V C 2.441 178.525 176.094 -0.017 0.000 1.049 384 V CA 1.644 63.917 62.300 -0.046 0.000 1.024 384 V CB -0.376 31.398 31.823 -0.081 0.000 0.648 384 V HN 0.347 nan 8.190 nan 0.000 0.447 385 L N -0.365 120.846 121.223 -0.020 0.000 2.046 385 L HA -0.164 4.187 4.340 0.018 0.000 0.208 385 L C 2.244 179.127 176.870 0.022 0.000 1.077 385 L CA 1.571 56.406 54.840 -0.008 0.000 0.747 385 L CB -0.599 41.446 42.059 -0.023 0.000 0.896 385 L HN 0.287 nan 8.230 nan 0.000 0.432 386 K N 0.286 120.707 120.400 0.035 0.000 2.505 386 K HA 0.096 4.426 4.320 0.018 0.000 0.192 386 K C 1.195 177.953 176.600 0.264 0.000 1.025 386 K CA 0.572 56.929 56.287 0.117 0.000 1.086 386 K CB 0.053 32.599 32.500 0.077 0.000 0.840 386 K HN 0.425 nan 8.250 nan 0.000 0.514 387 G N 2.201 111.082 108.800 0.136 0.000 2.187 387 G HA2 -0.331 3.640 3.960 0.018 0.000 0.261 387 G HA3 -0.331 3.640 3.960 0.018 0.000 0.261 387 G C 0.621 175.565 174.900 0.073 0.000 1.000 387 G CA 0.852 46.006 45.100 0.090 0.000 0.718 387 G HN 0.434 nan 8.290 nan 0.000 0.519 388 E N -0.227 120.028 120.200 0.091 0.000 2.435 388 E HA 0.534 4.895 4.350 0.018 0.000 0.195 388 E C 1.364 177.981 176.600 0.028 0.000 1.029 388 E CA 1.313 57.755 56.400 0.070 0.000 0.865 388 E CB 0.055 29.802 29.700 0.079 0.000 0.833 388 E HN 1.119 nan 8.360 nan 0.000 0.510 389 A N -0.845 121.979 122.820 0.008 0.000 2.567 389 A HA 0.572 4.903 4.320 0.018 0.000 0.289 389 A C -0.777 176.783 177.584 -0.040 0.000 1.177 389 A CA -0.547 51.479 52.037 -0.019 0.000 0.694 389 A CB 1.044 20.021 19.000 -0.039 0.000 1.292 389 A HN 0.021 nan 8.150 nan 0.000 0.425 390 D N -1.301 119.052 120.400 -0.078 0.000 2.410 390 D HA 0.472 5.123 4.640 0.018 0.000 0.275 390 D C -0.068 176.123 176.300 -0.181 0.000 1.152 390 D CA 1.247 55.194 54.000 -0.089 0.000 0.825 390 D CB 1.393 42.175 40.800 -0.029 0.000 1.312 390 D HN 1.079 nan 8.370 nan 0.000 0.532 391 A N 0.750 123.356 122.820 -0.357 0.000 2.597 391 A HA 0.764 5.095 4.320 0.018 0.000 0.292 391 A C -1.434 175.372 177.584 -1.296 0.000 1.057 391 A CA -0.683 50.959 52.037 -0.658 0.000 0.674 391 A CB 1.276 19.809 19.000 -0.779 0.000 1.278 391 A HN 0.047 nan 8.150 nan 0.000 0.416 392 M N -0.787 118.151 119.600 -1.104 0.000 2.853 392 M HA 0.628 5.119 4.480 0.018 0.000 0.273 392 M C -0.854 175.242 176.300 -0.339 0.000 1.128 392 M CA -0.480 54.229 55.300 -0.986 0.000 0.814 392 M CB 1.413 33.663 32.600 -0.584 0.000 1.667 392 M HN 0.810 nan 8.290 nan 0.000 0.519 393 S N 1.194 116.875 115.700 -0.033 0.000 2.499 393 S HA 0.820 5.301 4.470 0.018 0.000 0.279 393 S C -0.937 173.708 174.600 0.076 0.000 1.219 393 S CA -0.606 57.672 58.200 0.129 0.000 1.062 393 S CB 0.330 63.652 63.200 0.203 0.000 0.978 393 S HN 0.556 nan 8.310 nan 0.000 0.489 394 L N 2.926 124.196 121.223 0.077 0.000 2.333 394 L HA 0.530 4.880 4.340 0.018 0.000 0.263 394 L C -0.242 176.558 176.870 -0.117 0.000 1.014 394 L CA -1.139 53.721 54.840 0.033 0.000 0.820 394 L CB 1.943 44.056 42.059 0.090 0.000 1.352 394 L HN 0.559 nan 8.230 nan 0.000 0.421 395 D N 0.295 120.589 120.400 -0.177 0.000 2.357 395 D HA 0.157 4.807 4.640 0.018 0.000 0.242 395 D C 1.250 177.574 176.300 0.039 0.000 1.153 395 D CA 0.450 54.179 54.000 -0.451 0.000 0.918 395 D CB 1.709 42.428 40.800 -0.135 0.000 1.181 395 D HN 0.612 nan 8.370 nan 0.000 0.435 396 G N 1.134 110.046 108.800 0.187 0.000 2.501 396 G HA2 -0.180 3.790 3.960 0.018 0.000 0.220 396 G HA3 -0.180 3.790 3.960 0.018 0.000 0.220 396 G C 1.296 176.390 174.900 0.323 0.000 1.114 396 G CA 0.692 45.960 45.100 0.280 0.000 0.757 396 G HN 0.576 nan 8.290 nan 0.000 0.559 397 G N -0.361 108.527 108.800 0.146 0.000 2.421 397 G HA2 -0.058 3.912 3.960 0.018 0.000 0.217 397 G HA3 -0.058 3.912 3.960 0.018 0.000 0.217 397 G C 1.434 176.231 174.900 -0.172 0.000 1.143 397 G CA 0.532 45.596 45.100 -0.059 0.000 0.784 397 G HN 0.463 nan 8.290 nan 0.000 0.541 398 Y N 0.083 120.451 120.300 0.112 0.000 2.517 398 Y HA 0.176 4.737 4.550 0.019 0.000 0.281 398 Y C 2.659 178.607 175.900 0.080 0.000 1.125 398 Y CA -0.241 57.901 58.100 0.069 0.000 1.283 398 Y CB 0.035 38.501 38.460 0.010 0.000 1.042 398 Y HN 0.029 nan 8.280 nan 0.000 0.547 399 V N -0.749 119.314 119.914 0.250 0.000 2.515 399 V HA -0.300 3.831 4.120 0.018 0.000 0.250 399 V C 2.010 178.218 176.094 0.189 0.000 1.058 399 V CA 1.743 64.167 62.300 0.207 0.000 1.064 399 V CB -0.782 31.204 31.823 0.271 0.000 0.675 399 V HN 0.439 nan 8.190 nan 0.000 0.461 400 Y N 1.716 122.091 120.300 0.124 0.000 2.089 400 Y HA -0.267 4.292 4.550 0.014 0.000 0.282 400 Y C 2.724 178.522 175.900 -0.169 0.000 1.139 400 Y CA 2.447 60.562 58.100 0.024 0.000 1.123 400 Y CB -0.751 37.738 38.460 0.048 0.000 0.980 400 Y HN 0.212 nan 8.280 nan 0.000 0.493 401 T N 1.101 115.762 114.554 0.179 0.000 2.635 401 T HA -0.297 4.064 4.350 0.018 0.000 0.267 401 T C 2.095 176.733 174.700 -0.104 0.000 1.040 401 T CA 1.888 64.026 62.100 0.064 0.000 1.156 401 T CB -1.044 67.927 68.868 0.171 0.000 0.863 401 T HN 0.528 nan 8.240 nan 0.000 0.430 402 A N 1.526 124.316 122.820 -0.049 0.000 1.892 402 A HA 0.022 4.353 4.320 0.018 0.000 0.218 402 A C 2.672 180.140 177.584 -0.193 0.000 1.188 402 A CA 2.134 54.123 52.037 -0.079 0.000 0.631 402 A CB -1.542 17.444 19.000 -0.024 0.000 0.822 402 A HN 0.534 nan 8.150 nan 0.000 0.447 403 G N -0.220 108.379 108.800 -0.336 0.000 2.446 403 G HA2 -0.263 3.708 3.960 0.018 0.000 0.217 403 G HA3 -0.263 3.708 3.960 0.018 0.000 0.217 403 G C 1.541 175.984 174.900 -0.761 0.000 1.168 403 G CA 1.126 45.850 45.100 -0.627 0.000 0.771 403 G HN 0.448 nan 8.290 nan 0.000 0.551 404 K N 0.011 119.900 120.400 -0.851 0.000 2.281 404 K HA -0.042 4.289 4.320 0.018 0.000 0.203 404 K C 2.238 178.685 176.600 -0.255 0.000 1.046 404 K CA 0.714 56.683 56.287 -0.530 0.000 0.938 404 K CB -0.631 31.612 32.500 -0.428 0.000 0.737 404 K HN 0.391 nan 8.250 nan 0.000 0.458 405 c N -0.494 117.977 118.600 -0.217 0.000 2.618 405 c HA 0.216 4.797 4.570 0.018 0.000 0.264 405 c C 1.719 175.753 174.090 -0.094 0.000 1.334 405 c CA 0.409 56.669 56.329 -0.115 0.000 1.731 405 c CB -0.605 41.856 42.510 -0.081 0.000 1.852 405 c HN 0.720 nan 8.230 nan 0.000 0.566 406 G N 0.364 109.099 108.800 -0.107 0.000 2.259 406 G HA2 -0.172 3.799 3.960 0.018 0.000 0.217 406 G HA3 -0.172 3.799 3.960 0.018 0.000 0.217 406 G C 0.113 174.993 174.900 -0.033 0.000 1.001 406 G CA -0.280 44.790 45.100 -0.049 0.000 0.627 406 G HN 0.436 nan 8.290 nan 0.000 0.501 407 L N 1.464 122.659 121.223 -0.048 0.000 2.452 407 L HA 0.620 4.971 4.340 0.018 0.000 0.267 407 L C 1.080 177.944 176.870 -0.010 0.000 1.188 407 L CA -0.380 54.440 54.840 -0.033 0.000 0.821 407 L CB 1.055 43.085 42.059 -0.049 0.000 1.102 407 L HN 0.430 nan 8.230 nan 0.000 0.470 408 V N -0.744 119.167 119.914 -0.005 0.000 3.102 408 V HA 0.618 4.749 4.120 0.018 0.000 0.312 408 V C -2.630 173.450 176.094 -0.023 0.000 1.135 408 V CA -2.349 59.959 62.300 0.014 0.000 1.022 408 V CB 1.768 33.606 31.823 0.026 0.000 1.056 408 V HN 0.585 nan 8.190 nan 0.000 0.436 409 P HA 0.217 nan 4.420 nan 0.000 0.271 409 P C 0.347 177.592 177.300 -0.093 0.000 1.226 409 P CA 0.211 63.215 63.100 -0.159 0.000 0.765 409 P CB 1.682 33.140 31.700 -0.403 0.000 0.835 410 V N 4.196 124.080 119.914 -0.050 0.000 2.490 410 V HA 0.137 4.268 4.120 0.018 0.000 0.238 410 V C 1.112 177.214 176.094 0.013 0.000 1.056 410 V CA 1.085 63.388 62.300 0.004 0.000 1.075 410 V CB -0.298 31.553 31.823 0.047 0.000 0.746 410 V HN 0.415 nan 8.190 nan 0.000 0.479 411 L N -0.712 120.533 121.223 0.037 0.000 2.424 411 L HA 0.820 5.171 4.340 0.018 0.000 0.258 411 L C -0.806 176.101 176.870 0.061 0.000 0.995 411 L CA -0.631 54.243 54.840 0.058 0.000 0.821 411 L CB 2.085 44.212 42.059 0.114 0.000 1.383 411 L HN 0.157 nan 8.230 nan 0.000 0.410 412 A N 0.964 123.825 122.820 0.068 0.000 2.340 412 A HA 0.629 4.960 4.320 0.018 0.000 0.331 412 A C -0.594 176.999 177.584 0.015 0.000 1.140 412 A CA -0.549 51.547 52.037 0.100 0.000 0.801 412 A CB 0.895 20.023 19.000 0.213 0.000 1.234 412 A HN 0.750 nan 8.150 nan 0.000 0.469 413 E N 1.116 121.299 120.200 -0.028 0.000 2.398 413 E HA 0.126 4.487 4.350 0.018 0.000 0.263 413 E C -0.645 175.566 176.600 -0.648 0.000 1.046 413 E CA -0.163 56.060 56.400 -0.295 0.000 0.908 413 E CB 0.590 30.154 29.700 -0.226 0.000 0.963 413 E HN 0.512 nan 8.360 nan 0.000 0.431 414 N N 1.411 119.726 118.700 -0.640 0.000 2.321 414 N HA 0.266 5.017 4.740 0.018 0.000 0.299 414 N C -1.721 173.462 175.510 -0.545 0.000 1.048 414 N CA -0.357 52.367 53.050 -0.545 0.000 0.836 414 N CB 0.743 39.081 38.487 -0.249 0.000 1.269 414 N HN 0.263 nan 8.380 nan 0.000 0.486 415 Y N 0.094 120.335 120.300 -0.097 0.000 2.621 415 Y HA 0.398 4.958 4.550 0.018 0.000 0.334 415 Y C 0.748 176.594 175.900 -0.090 0.000 1.074 415 Y CA -0.964 57.064 58.100 -0.121 0.000 1.149 415 Y CB 0.618 39.001 38.460 -0.129 0.000 1.302 415 Y HN 0.227 nan 8.280 nan 0.000 0.501 416 K N 1.428 121.869 120.400 0.068 0.000 2.447 416 K HA 0.050 4.381 4.320 0.018 0.000 0.281 416 K C 0.305 176.916 176.600 0.019 0.000 1.031 416 K CA 0.362 56.658 56.287 0.016 0.000 1.019 416 K CB 0.818 33.313 32.500 -0.009 0.000 0.918 416 K HN 0.816 nan 8.250 nan 0.000 0.476 417 S N 2.883 118.587 115.700 0.005 0.000 2.580 417 S HA -0.021 4.460 4.470 0.018 0.000 0.266 417 S C 1.315 175.912 174.600 -0.005 0.000 1.354 417 S CA 0.840 59.040 58.200 0.000 0.000 1.008 417 S CB 0.621 63.816 63.200 -0.008 0.000 0.898 417 S HN 0.664 nan 8.310 nan 0.000 0.555 418 Q N 0.834 120.630 119.800 -0.006 0.000 2.624 418 Q HA 0.012 4.363 4.340 0.018 0.000 0.219 418 Q C 0.595 176.589 176.000 -0.011 0.000 0.973 418 Q CA 1.461 57.258 55.803 -0.010 0.000 0.983 418 Q CB -1.402 27.329 28.738 -0.013 0.000 0.992 418 Q HN 0.853 nan 8.270 nan 0.000 0.574 419 Q N -0.986 118.808 119.800 -0.011 0.000 2.468 419 Q HA -0.198 4.153 4.340 0.018 0.000 0.289 419 Q C 1.188 177.181 176.000 -0.012 0.000 1.299 419 Q CA 0.923 56.718 55.803 -0.012 0.000 0.838 419 Q CB -2.917 25.814 28.738 -0.012 0.000 1.195 419 Q HN 1.035 nan 8.270 nan 0.000 0.456 420 S N -2.552 113.141 115.700 -0.013 0.000 2.507 420 S HA 0.062 4.543 4.470 0.018 0.000 0.235 420 S C 0.851 175.443 174.600 -0.013 0.000 0.988 420 S CA 0.257 58.449 58.200 -0.014 0.000 0.944 420 S CB 0.048 63.238 63.200 -0.016 0.000 0.762 420 S HN 0.561 nan 8.310 nan 0.000 0.526 421 S N 0.813 116.506 115.700 -0.013 0.000 3.018 421 S HA -0.092 4.389 4.470 0.018 0.000 0.636 421 S C -0.219 174.374 174.600 -0.012 0.000 2.973 421 S CA 1.000 59.192 58.200 -0.013 0.000 3.169 421 S CB -1.321 61.871 63.200 -0.012 0.000 0.332 421 S HN 0.953 nan 8.310 nan 0.000 1.796 422 D N -0.549 119.843 120.400 -0.013 0.000 10.631 422 D HA 0.026 4.677 4.640 0.018 0.000 0.324 422 D C -3.148 173.143 176.300 -0.014 0.000 3.157 422 D CA 0.365 54.357 54.000 -0.013 0.000 2.757 422 D CB -0.363 40.431 40.800 -0.011 0.000 1.248 422 D HN 0.369 nan 8.370 nan 0.000 0.953 423 P HA 0.062 nan 4.420 nan 0.000 0.254 423 P C -0.570 176.721 177.300 -0.015 0.000 1.186 423 P CA 0.251 63.341 63.100 -0.016 0.000 0.868 423 P CB 0.192 31.882 31.700 -0.016 0.000 0.856 424 D N 5.207 125.598 120.400 -0.015 0.000 2.382 424 D HA 0.017 4.668 4.640 0.018 0.000 0.259 424 D C -0.921 175.372 176.300 -0.012 0.000 1.224 424 D CA -1.249 52.743 54.000 -0.013 0.000 0.894 424 D CB 0.907 41.698 40.800 -0.015 0.000 1.127 424 D HN 0.228 nan 8.370 nan 0.000 0.487 425 P HA -0.029 nan 4.420 nan 0.000 0.218 425 P C -0.276 177.023 177.300 -0.002 0.000 1.152 425 P CA 0.680 63.776 63.100 -0.007 0.000 0.826 425 P CB 0.376 32.073 31.700 -0.006 0.000 0.790 426 N N -1.106 117.595 118.700 0.001 0.000 3.012 426 N HA 0.127 4.878 4.740 0.018 0.000 0.270 426 N C 0.382 175.899 175.510 0.011 0.000 1.469 426 N CA -0.215 52.841 53.050 0.009 0.000 0.928 426 N CB -0.175 38.320 38.487 0.013 0.000 1.219 426 N HN 0.046 nan 8.380 nan 0.000 0.492 427 c N -0.165 118.438 118.600 0.005 0.000 2.568 427 c HA 0.096 4.677 4.570 0.018 0.000 0.284 427 c C 2.334 176.432 174.090 0.013 0.000 1.338 427 c CA 0.318 56.645 56.329 -0.003 0.000 1.724 427 c CB -0.504 41.992 42.510 -0.022 0.000 2.131 427 c HN 0.432 nan 8.230 nan 0.000 0.513 428 V N 1.778 121.701 119.914 0.015 0.000 2.363 428 V HA -0.233 3.898 4.120 0.018 0.000 0.254 428 V C 1.795 177.918 176.094 0.049 0.000 1.074 428 V CA 2.631 64.944 62.300 0.023 0.000 1.069 428 V CB -0.620 31.215 31.823 0.021 0.000 0.659 428 V HN 0.620 nan 8.190 nan 0.000 0.455 429 D N -1.368 119.078 120.400 0.076 0.000 2.349 429 D HA 0.061 4.712 4.640 0.018 0.000 0.214 429 D C 1.171 177.612 176.300 0.235 0.000 1.063 429 D CA -0.070 54.024 54.000 0.157 0.000 0.847 429 D CB 0.180 41.045 40.800 0.108 0.000 0.933 429 D HN 0.330 nan 8.370 nan 0.000 0.513 430 R N 2.185 122.762 120.500 0.130 0.000 2.389 430 R HA 0.186 4.537 4.340 0.018 0.000 0.295 430 R C -2.641 173.729 176.300 0.117 0.000 1.075 430 R CA -1.354 54.788 56.100 0.069 0.000 1.005 430 R CB 0.769 31.079 30.300 0.016 0.000 0.987 430 R HN -0.199 nan 8.270 nan 0.000 0.452 431 P HA -0.009 nan 4.420 nan 0.000 0.276 431 P C -0.485 176.820 177.300 0.009 0.000 1.230 431 P CA -0.393 62.688 63.100 -0.030 0.000 0.776 431 P CB 0.823 32.395 31.700 -0.215 0.000 0.888 432 V N 1.089 121.034 119.914 0.052 0.000 2.872 432 V HA 0.079 4.210 4.120 0.018 0.000 0.307 432 V C 0.865 176.960 176.094 0.002 0.000 1.072 432 V CA 0.433 62.746 62.300 0.020 0.000 1.148 432 V CB 0.023 31.883 31.823 0.063 0.000 0.954 432 V HN 0.540 nan 8.190 nan 0.000 0.490 433 E N 2.315 122.526 120.200 0.018 0.000 2.490 433 E HA 0.452 4.812 4.350 0.018 0.000 0.209 433 E C 0.912 177.525 176.600 0.022 0.000 0.971 433 E CA 0.439 56.847 56.400 0.013 0.000 0.988 433 E CB 0.962 30.670 29.700 0.013 0.000 1.029 433 E HN 1.389 nan 8.360 nan 0.000 0.496 434 G N 1.179 110.032 108.800 0.088 0.000 2.712 434 G HA2 -0.208 3.762 3.960 0.018 0.000 0.683 434 G HA3 -0.208 3.762 3.960 0.018 0.000 0.683 434 G C -1.010 173.999 174.900 0.181 0.000 1.320 434 G CA -0.407 44.735 45.100 0.070 0.000 0.847 434 G HN 0.206 nan 8.290 nan 0.000 0.553 435 Y N -2.386 117.885 120.300 -0.049 0.000 2.553 435 Y HA 0.785 5.346 4.550 0.019 0.000 0.347 435 Y C -0.169 175.631 175.900 -0.167 0.000 1.019 435 Y CA -1.888 56.136 58.100 -0.125 0.000 1.032 435 Y CB 1.351 39.703 38.460 -0.180 0.000 1.284 435 Y HN 0.583 nan 8.280 nan 0.000 0.466 436 L N 3.752 124.941 121.223 -0.057 0.000 2.283 436 L HA 0.585 4.936 4.340 0.018 0.000 0.287 436 L C 0.270 177.122 176.870 -0.029 0.000 1.073 436 L CA -0.767 53.969 54.840 -0.173 0.000 0.822 436 L CB 0.745 42.679 42.059 -0.208 0.000 1.186 436 L HN 0.907 nan 8.230 nan 0.000 0.436 437 A N 4.871 127.658 122.820 -0.055 0.000 2.404 437 A HA 0.534 4.865 4.320 0.018 0.000 0.273 437 A C -0.001 177.641 177.584 0.096 0.000 1.144 437 A CA -0.381 51.691 52.037 0.058 0.000 0.806 437 A CB 0.460 19.471 19.000 0.019 0.000 1.080 437 A HN 0.570 nan 8.150 nan 0.000 0.509 438 V N -0.386 119.603 119.914 0.126 0.000 3.113 438 V HA 0.975 5.106 4.120 0.018 0.000 0.316 438 V C -0.004 176.189 176.094 0.166 0.000 1.125 438 V CA -0.513 61.860 62.300 0.122 0.000 1.026 438 V CB 1.747 33.615 31.823 0.075 0.000 1.080 438 V HN 1.587 nan 8.190 nan 0.000 0.444 439 A N 1.788 124.695 122.820 0.145 0.000 2.310 439 A HA 0.807 5.138 4.320 0.018 0.000 0.304 439 A C -0.667 176.928 177.584 0.019 0.000 1.231 439 A CA -0.544 51.552 52.037 0.099 0.000 0.799 439 A CB 1.011 20.218 19.000 0.344 0.000 1.162 439 A HN 1.190 nan 8.150 nan 0.000 0.486 440 V N 2.803 122.679 119.914 -0.063 0.000 2.617 440 V HA 0.728 4.859 4.120 0.018 0.000 0.298 440 V C 0.249 176.361 176.094 0.029 0.000 1.048 440 V CA -0.183 62.141 62.300 0.039 0.000 0.964 440 V CB 1.385 33.262 31.823 0.090 0.000 1.004 440 V HN 1.232 nan 8.190 nan 0.000 0.466 441 V N 1.606 121.599 119.914 0.130 0.000 3.216 441 V HA 0.637 4.768 4.120 0.018 0.000 0.302 441 V C -0.699 175.504 176.094 0.180 0.000 1.286 441 V CA -1.423 60.939 62.300 0.104 0.000 1.048 441 V CB 2.052 33.911 31.823 0.060 0.000 1.081 441 V HN 0.757 nan 8.190 nan 0.000 0.442 442 R N 1.160 121.717 120.500 0.095 0.000 2.491 442 R HA 0.369 4.720 4.340 0.018 0.000 0.283 442 R C 1.552 177.812 176.300 -0.068 0.000 1.072 442 R CA -0.080 55.990 56.100 -0.050 0.000 1.048 442 R CB 0.658 30.904 30.300 -0.089 0.000 0.983 442 R HN 0.842 nan 8.270 nan 0.000 0.450 443 R N 1.710 122.128 120.500 -0.137 0.000 2.112 443 R HA -0.230 4.120 4.340 0.018 0.000 0.242 443 R C 1.284 177.550 176.300 -0.057 0.000 1.137 443 R CA 2.545 58.596 56.100 -0.082 0.000 0.944 443 R CB -0.288 29.941 30.300 -0.118 0.000 0.857 443 R HN 0.656 nan 8.270 nan 0.000 0.435 444 S N 0.878 116.530 115.700 -0.080 0.000 2.423 444 S HA -0.128 4.353 4.470 0.018 0.000 0.238 444 S C 0.268 174.850 174.600 -0.029 0.000 1.028 444 S CA 1.425 59.593 58.200 -0.054 0.000 1.000 444 S CB -0.180 62.981 63.200 -0.066 0.000 0.797 444 S HN 0.439 nan 8.310 nan 0.000 0.487 445 D N 1.991 122.379 120.400 -0.019 0.000 2.631 445 D HA 0.179 4.830 4.640 0.018 0.000 0.227 445 D C 0.469 176.773 176.300 0.006 0.000 1.146 445 D CA 0.066 54.065 54.000 -0.003 0.000 1.009 445 D CB 0.497 41.300 40.800 0.004 0.000 1.057 445 D HN 0.220 nan 8.370 nan 0.000 0.509 446 T N -0.466 114.090 114.554 0.003 0.000 2.869 446 T HA -0.190 4.171 4.350 0.018 0.000 0.270 446 T C 2.041 176.750 174.700 0.015 0.000 1.082 446 T CA 1.404 63.509 62.100 0.008 0.000 1.123 446 T CB 0.049 68.919 68.868 0.003 0.000 0.856 446 T HN 0.364 nan 8.240 nan 0.000 0.499 447 S N 0.117 115.825 115.700 0.014 0.000 2.548 447 S HA 0.238 4.719 4.470 0.018 0.000 0.215 447 S C 0.617 175.230 174.600 0.022 0.000 0.976 447 S CA -0.420 57.790 58.200 0.016 0.000 0.908 447 S CB -0.160 63.046 63.200 0.010 0.000 0.781 447 S HN 0.174 nan 8.310 nan 0.000 0.519 448 L N 3.676 124.916 121.223 0.028 0.000 2.331 448 L HA 0.491 4.842 4.340 0.018 0.000 0.278 448 L C 0.712 177.616 176.870 0.057 0.000 1.106 448 L CA 0.520 55.382 54.840 0.036 0.000 0.824 448 L CB 0.649 42.731 42.059 0.040 0.000 1.142 448 L HN 0.537 nan 8.230 nan 0.000 0.443 449 T N -0.947 113.642 114.554 0.059 0.000 2.838 449 T HA 0.216 4.577 4.350 0.018 0.000 0.292 449 T C 0.930 175.708 174.700 0.130 0.000 1.113 449 T CA -0.710 61.453 62.100 0.106 0.000 1.008 449 T CB 1.280 70.203 68.868 0.090 0.000 1.259 449 T HN 0.658 nan 8.240 nan 0.000 0.520 450 W N 1.721 123.062 121.300 0.068 0.000 2.301 450 W HA -0.256 4.414 4.660 0.017 0.000 0.325 450 W C 1.366 177.931 176.519 0.077 0.000 1.250 450 W CA 2.142 59.540 57.345 0.088 0.000 1.261 450 W CB -0.577 28.927 29.460 0.073 0.000 1.157 450 W HN 0.739 nan 8.180 nan 0.000 0.473 451 N N 0.286 118.916 118.700 -0.117 0.000 2.430 451 N HA -0.160 4.590 4.740 0.018 0.000 0.186 451 N C 1.417 176.825 175.510 -0.171 0.000 1.032 451 N CA 1.924 54.892 53.050 -0.137 0.000 0.893 451 N CB -0.490 38.006 38.487 0.016 0.000 0.957 451 N HN 0.225 nan 8.380 nan 0.000 0.442 452 S N -1.670 113.940 115.700 -0.151 0.000 2.846 452 S HA 0.196 4.677 4.470 0.018 0.000 0.249 452 S C 1.138 175.678 174.600 -0.100 0.000 1.028 452 S CA -0.519 57.617 58.200 -0.108 0.000 1.043 452 S CB 0.131 63.304 63.200 -0.044 0.000 0.990 452 S HN -0.023 nan 8.310 nan 0.000 0.564 453 V N 1.697 121.510 119.914 -0.168 0.000 2.591 453 V HA 0.192 4.323 4.120 0.018 0.000 0.249 453 V C 0.718 176.836 176.094 0.039 0.000 1.053 453 V CA 0.995 63.276 62.300 -0.032 0.000 1.068 453 V CB -0.488 31.283 31.823 -0.086 0.000 0.689 453 V HN 0.473 nan 8.190 nan 0.000 0.462 454 K N 0.423 120.705 120.400 -0.196 0.000 2.466 454 K HA 0.259 4.590 4.320 0.018 0.000 0.278 454 K C 1.092 177.580 176.600 -0.186 0.000 1.048 454 K CA 0.882 56.962 56.287 -0.347 0.000 1.088 454 K CB 0.064 32.338 32.500 -0.376 0.000 0.884 454 K HN 0.537 nan 8.250 nan 0.000 0.478 455 G N 2.360 111.064 108.800 -0.160 0.000 2.284 455 G HA2 -0.231 3.740 3.960 0.018 0.000 0.216 455 G HA3 -0.231 3.740 3.960 0.018 0.000 0.216 455 G C 0.014 174.986 174.900 0.119 0.000 1.009 455 G CA -0.233 44.861 45.100 -0.010 0.000 0.625 455 G HN 0.462 nan 8.290 nan 0.000 0.501 456 K N 1.055 121.581 120.400 0.209 0.000 2.273 456 K HA 0.651 4.982 4.320 0.018 0.000 0.240 456 K C 0.685 177.488 176.600 0.338 0.000 1.056 456 K CA 0.022 56.446 56.287 0.228 0.000 0.910 456 K CB 0.259 32.861 32.500 0.171 0.000 1.196 456 K HN 0.378 nan 8.250 nan 0.000 0.509 457 K N 0.393 120.912 120.400 0.197 0.000 2.156 457 K HA 0.398 4.729 4.320 0.018 0.000 0.271 457 K C -0.484 176.123 176.600 0.013 0.000 0.995 457 K CA -0.648 55.734 56.287 0.158 0.000 0.890 457 K CB 1.527 34.086 32.500 0.098 0.000 1.073 457 K HN 0.679 nan 8.250 nan 0.000 0.454 458 S N 0.374 116.024 115.700 -0.083 0.000 2.689 458 S HA 0.630 5.111 4.470 0.018 0.000 0.306 458 S C -0.578 173.942 174.600 -0.134 0.000 1.104 458 S CA -0.859 57.148 58.200 -0.322 0.000 0.973 458 S CB 1.231 63.895 63.200 -0.894 0.000 1.121 458 S HN 0.639 nan 8.310 nan 0.000 0.523 459 c N 1.819 120.235 118.600 -0.307 0.000 2.431 459 c HA 0.694 5.275 4.570 0.018 0.000 0.321 459 c C -0.535 173.415 174.090 -0.234 0.000 1.202 459 c CA -0.514 55.728 56.329 -0.145 0.000 1.398 459 c CB 0.240 42.613 42.510 -0.228 0.000 2.047 459 c HN 0.921 nan 8.230 nan 0.000 0.465 460 H N 0.696 119.842 119.070 0.126 0.000 2.797 460 H HA 0.312 4.879 4.556 0.018 0.000 0.372 460 H C 0.815 176.192 175.328 0.081 0.000 1.168 460 H CA -0.003 56.166 56.048 0.202 0.000 1.163 460 H CB 2.130 32.065 29.762 0.288 0.000 1.778 460 H HN 0.686 nan 8.280 nan 0.000 0.551 461 T N -0.230 114.408 114.554 0.140 0.000 2.643 461 T HA 0.176 4.537 4.350 0.018 0.000 0.264 461 T C 0.833 175.445 174.700 -0.147 0.000 1.045 461 T CA 0.908 62.942 62.100 -0.110 0.000 1.155 461 T CB 0.119 68.840 68.868 -0.247 0.000 0.863 461 T HN 0.712 nan 8.240 nan 0.000 0.420 462 A N -0.330 122.481 122.820 -0.016 0.000 2.544 462 A HA 0.608 4.939 4.320 0.018 0.000 0.291 462 A C -0.766 176.771 177.584 -0.078 0.000 1.055 462 A CA -0.314 51.710 52.037 -0.021 0.000 0.651 462 A CB 0.954 19.948 19.000 -0.011 0.000 1.296 462 A HN 0.975 nan 8.150 nan 0.000 0.431 463 V N 0.882 120.612 119.914 -0.306 0.000 2.614 463 V HA 0.541 4.672 4.120 0.018 0.000 0.291 463 V C 0.354 176.108 176.094 -0.568 0.000 1.049 463 V CA 1.548 63.332 62.300 -0.860 0.000 1.038 463 V CB 0.575 31.670 31.823 -1.213 0.000 0.980 463 V HN 1.100 nan 8.190 nan 0.000 0.481 464 D N 2.483 122.482 120.400 -0.668 0.000 2.802 464 D HA -0.129 4.522 4.640 0.018 0.000 0.191 464 D C 0.353 176.456 176.300 -0.329 0.000 0.962 464 D CA 1.004 54.750 54.000 -0.422 0.000 1.004 464 D CB -0.730 39.790 40.800 -0.467 0.000 1.055 464 D HN 0.817 nan 8.370 nan 0.000 0.451 465 R N 0.447 120.879 120.500 -0.114 0.000 2.532 465 R HA 0.549 4.900 4.340 0.018 0.000 0.272 465 R C 1.566 177.945 176.300 0.133 0.000 1.032 465 R CA -0.181 55.900 56.100 -0.032 0.000 1.089 465 R CB 0.552 30.865 30.300 0.022 0.000 1.098 465 R HN -0.136 nan 8.270 nan 0.000 0.526 466 T N 1.100 115.775 114.554 0.202 0.000 2.595 466 T HA -0.250 4.110 4.350 0.018 0.000 0.264 466 T C 1.937 176.761 174.700 0.208 0.000 1.058 466 T CA 1.856 64.102 62.100 0.243 0.000 1.166 466 T CB -0.329 68.601 68.868 0.104 0.000 0.863 466 T HN 0.730 nan 8.240 nan 0.000 0.415 467 A N 1.454 124.438 122.820 0.273 0.000 1.858 467 A HA 0.126 4.456 4.320 0.018 0.000 0.216 467 A C 2.551 180.308 177.584 0.288 0.000 1.190 467 A CA 1.817 54.035 52.037 0.301 0.000 0.617 467 A CB -1.314 17.985 19.000 0.498 0.000 0.827 467 A HN 0.554 nan 8.150 nan 0.000 0.443 468 G N -3.575 105.401 108.800 0.294 0.000 2.985 468 G HA2 0.147 4.118 3.960 0.018 0.000 0.209 468 G HA3 0.147 4.118 3.960 0.018 0.000 0.209 468 G C 0.932 176.099 174.900 0.445 0.000 1.165 468 G CA 0.666 45.976 45.100 0.350 0.000 0.776 468 G HN 0.641 nan 8.290 nan 0.000 0.541 469 W N -0.382 120.958 121.300 0.066 0.000 5.056 469 W HA 0.015 4.684 4.660 0.016 0.000 0.174 469 W C 1.184 177.624 176.519 -0.132 0.000 2.712 469 W CA 0.206 57.522 57.345 -0.048 0.000 2.038 469 W CB -0.406 28.975 29.460 -0.131 0.000 1.247 469 W HN 0.076 nan 8.180 nan 0.000 0.926 470 N N 1.881 120.647 118.700 0.109 0.000 2.037 470 N HA -0.240 4.511 4.740 0.018 0.000 0.196 470 N C 1.629 177.081 175.510 -0.097 0.000 1.034 470 N CA 2.842 55.863 53.050 -0.048 0.000 0.861 470 N CB -1.027 37.476 38.487 0.027 0.000 1.039 470 N HN 0.258 nan 8.380 nan 0.000 0.427 471 I N 0.735 121.303 120.570 -0.003 0.000 2.179 471 I HA -0.170 4.011 4.170 0.018 0.000 0.242 471 I C -0.771 175.300 176.117 -0.076 0.000 1.088 471 I CA 1.060 62.354 61.300 -0.010 0.000 1.357 471 I CB -1.164 36.856 38.000 0.033 0.000 1.051 471 I HN 0.159 nan 8.210 nan 0.000 0.409 472 P HA -0.113 nan 4.420 nan 0.000 0.202 472 P C 1.712 178.946 177.300 -0.110 0.000 1.189 472 P CA 1.104 64.093 63.100 -0.186 0.000 0.921 472 P CB -0.108 31.182 31.700 -0.683 0.000 0.756 473 M N -0.650 118.738 119.600 -0.354 0.000 2.195 473 M HA -0.152 4.339 4.480 0.018 0.000 0.254 473 M C 2.082 178.322 176.300 -0.101 0.000 1.083 473 M CA 2.146 57.209 55.300 -0.394 0.000 1.069 473 M CB -2.430 29.390 32.600 -1.300 0.000 1.364 473 M HN 0.115 nan 8.290 nan 0.000 0.403 474 G N -1.188 107.531 108.800 -0.135 0.000 2.453 474 G HA2 -0.002 3.969 3.960 0.018 0.000 0.215 474 G HA3 -0.002 3.969 3.960 0.018 0.000 0.215 474 G C 1.695 176.677 174.900 0.137 0.000 1.147 474 G CA 0.018 45.118 45.100 -0.000 0.000 0.802 474 G HN 0.432 nan 8.290 nan 0.000 0.535 475 L N 0.105 121.398 121.223 0.118 0.000 2.156 475 L HA 0.112 4.463 4.340 0.018 0.000 0.208 475 L C 2.644 179.655 176.870 0.234 0.000 1.095 475 L CA 0.469 55.407 54.840 0.163 0.000 0.770 475 L CB -0.223 41.911 42.059 0.125 0.000 0.914 475 L HN 0.183 nan 8.230 nan 0.000 0.439 476 L N -1.738 119.635 121.223 0.249 0.000 2.313 476 L HA -0.135 4.216 4.340 0.018 0.000 0.214 476 L C 2.260 179.187 176.870 0.095 0.000 1.119 476 L CA 0.770 55.679 54.840 0.115 0.000 0.809 476 L CB -0.299 41.763 42.059 0.005 0.000 0.933 476 L HN 0.206 nan 8.230 nan 0.000 0.449 477 F N 0.748 120.782 119.950 0.139 0.000 2.530 477 F HA -0.001 4.535 4.527 0.014 0.000 0.292 477 F C 2.131 177.990 175.800 0.098 0.000 1.109 477 F CA 0.592 58.712 58.000 0.201 0.000 1.450 477 F CB -0.015 39.184 39.000 0.331 0.000 1.114 477 F HN 0.024 nan 8.300 nan 0.000 0.560 478 N N 0.563 119.382 118.700 0.199 0.000 2.069 478 N HA -0.244 4.507 4.740 0.018 0.000 0.191 478 N C 1.739 177.206 175.510 -0.072 0.000 1.031 478 N CA 2.193 55.286 53.050 0.071 0.000 0.852 478 N CB -0.204 38.349 38.487 0.112 0.000 1.018 478 N HN 0.456 nan 8.380 nan 0.000 0.423 479 Q N -1.526 118.244 119.800 -0.050 0.000 2.124 479 Q HA -0.093 4.258 4.340 0.018 0.000 0.202 479 Q C 1.596 177.508 176.000 -0.147 0.000 0.977 479 Q CA 1.873 57.627 55.803 -0.082 0.000 0.850 479 Q CB -0.108 28.594 28.738 -0.060 0.000 0.901 479 Q HN 0.636 nan 8.270 nan 0.000 0.429 480 T N -5.122 109.303 114.554 -0.215 0.000 2.959 480 T HA 0.325 4.686 4.350 0.018 0.000 0.254 480 T C 1.352 175.882 174.700 -0.282 0.000 1.003 480 T CA 0.408 62.374 62.100 -0.223 0.000 0.950 480 T CB 0.786 69.509 68.868 -0.242 0.000 1.090 480 T HN 0.392 nan 8.240 nan 0.000 0.503 481 G N 1.457 109.953 108.800 -0.507 0.000 2.168 481 G HA2 -0.272 3.699 3.960 0.018 0.000 0.257 481 G HA3 -0.272 3.699 3.960 0.018 0.000 0.257 481 G C 0.152 174.800 174.900 -0.420 0.000 0.997 481 G CA 0.479 45.127 45.100 -0.754 0.000 0.708 481 G HN 0.975 nan 8.290 nan 0.000 0.520 482 S N -0.929 114.669 115.700 -0.171 0.000 2.455 482 S HA 0.331 4.812 4.470 0.018 0.000 0.278 482 S C 1.627 176.352 174.600 0.209 0.000 1.216 482 S CA 0.093 58.336 58.200 0.072 0.000 1.055 482 S CB 0.104 63.393 63.200 0.149 0.000 0.939 482 S HN 0.501 nan 8.310 nan 0.000 0.494 483 c N 4.949 123.582 118.600 0.056 0.000 2.511 483 c HA 0.144 4.725 4.570 0.018 0.000 0.277 483 c C 1.451 175.207 174.090 -0.557 0.000 1.451 483 c CA 0.036 56.230 56.329 -0.225 0.000 1.735 483 c CB -1.272 41.158 42.510 -0.134 0.000 1.704 483 c HN 0.703 nan 8.230 nan 0.000 0.571 484 K N 1.556 121.821 120.400 -0.225 0.000 2.278 484 K HA 0.089 4.420 4.320 0.018 0.000 0.237 484 K C 0.228 176.691 176.600 -0.227 0.000 1.229 484 K CA -0.129 56.056 56.287 -0.171 0.000 1.155 484 K CB -0.171 32.329 32.500 -0.000 0.000 1.590 484 K HN 0.433 nan 8.250 nan 0.000 0.290 485 F N 0.905 120.670 119.950 -0.309 0.000 2.373 485 F HA -0.181 4.356 4.527 0.016 0.000 0.300 485 F C 1.862 177.503 175.800 -0.263 0.000 1.080 485 F CA 0.800 58.381 58.000 -0.697 0.000 1.417 485 F CB -0.347 38.390 39.000 -0.438 0.000 1.070 485 F HN 0.421 nan 8.300 nan 0.000 0.546 486 D N -0.013 120.440 120.400 0.087 0.000 2.340 486 D HA -0.077 4.574 4.640 0.018 0.000 0.220 486 D C 0.983 177.379 176.300 0.159 0.000 1.039 486 D CA 0.487 54.578 54.000 0.152 0.000 0.866 486 D CB -0.376 40.498 40.800 0.124 0.000 0.913 486 D HN 0.407 nan 8.370 nan 0.000 0.523 487 E N -1.088 119.219 120.200 0.178 0.000 2.526 487 E HA 0.042 4.403 4.350 0.018 0.000 0.208 487 E C 0.751 177.451 176.600 0.166 0.000 0.997 487 E CA -0.307 56.189 56.400 0.160 0.000 0.961 487 E CB 0.196 29.966 29.700 0.117 0.000 1.030 487 E HN 0.096 nan 8.360 nan 0.000 0.483 488 Y N 0.128 120.387 120.300 -0.067 0.000 2.145 488 Y HA -0.084 4.476 4.550 0.017 0.000 0.286 488 Y C 0.789 176.311 175.900 -0.630 0.000 1.145 488 Y CA 0.792 58.689 58.100 -0.338 0.000 1.148 488 Y CB -0.126 38.167 38.460 -0.279 0.000 0.981 488 Y HN -0.099 nan 8.280 nan 0.000 0.507 489 F N -1.458 118.637 119.950 0.242 0.000 2.561 489 F HA 0.276 4.814 4.527 0.018 0.000 0.321 489 F C 1.353 177.241 175.800 0.146 0.000 1.065 489 F CA -0.613 57.494 58.000 0.177 0.000 0.934 489 F CB 1.346 40.484 39.000 0.230 0.000 1.215 489 F HN -0.263 nan 8.300 nan 0.000 0.471 490 S N 1.157 117.022 115.700 0.274 0.000 2.348 490 S HA -0.115 4.366 4.470 0.018 0.000 0.221 490 S C 0.108 174.821 174.600 0.187 0.000 1.033 490 S CA 1.130 59.439 58.200 0.181 0.000 1.010 490 S CB -0.479 62.803 63.200 0.136 0.000 0.891 490 S HN 0.698 nan 8.310 nan 0.000 0.442 491 Q N -0.253 119.672 119.800 0.209 0.000 2.268 491 Q HA 0.751 5.101 4.340 0.018 0.000 0.266 491 Q C -1.472 174.651 176.000 0.205 0.000 1.006 491 Q CA -0.745 55.167 55.803 0.182 0.000 0.824 491 Q CB 1.936 30.753 28.738 0.132 0.000 1.306 491 Q HN 0.164 nan 8.270 nan 0.000 0.424 492 S N 0.697 116.528 115.700 0.218 0.000 2.823 492 S HA 0.717 5.198 4.470 0.018 0.000 0.316 492 S C -1.296 173.434 174.600 0.217 0.000 1.116 492 S CA -0.664 57.681 58.200 0.240 0.000 0.911 492 S CB 1.924 65.320 63.200 0.327 0.000 1.276 492 S HN 0.770 nan 8.310 nan 0.000 0.565 493 c N 2.107 120.867 118.600 0.267 0.000 2.919 493 c HA 0.772 5.353 4.570 0.018 0.000 0.337 493 c C -0.669 173.615 174.090 0.322 0.000 1.039 493 c CA -0.300 56.181 56.329 0.254 0.000 1.373 493 c CB -0.928 41.751 42.510 0.280 0.000 1.843 493 c HN 0.826 nan 8.230 nan 0.000 0.493 494 A N 6.963 129.911 122.820 0.212 0.000 3.082 494 A HA 0.650 4.981 4.320 0.018 0.000 0.328 494 A C -2.900 174.708 177.584 0.040 0.000 1.089 494 A CA -0.980 51.124 52.037 0.112 0.000 0.802 494 A CB 0.323 19.307 19.000 -0.027 0.000 1.138 494 A HN 0.596 nan 8.150 nan 0.000 0.474 495 P HA 0.256 nan 4.420 nan 0.000 0.264 495 P C 1.060 178.386 177.300 0.042 0.000 1.183 495 P CA 2.158 65.327 63.100 0.114 0.000 0.763 495 P CB 0.674 32.541 31.700 0.278 0.000 0.807 496 G N 1.032 109.843 108.800 0.020 0.000 2.164 496 G HA2 -0.150 3.821 3.960 0.018 0.000 0.212 496 G HA3 -0.150 3.821 3.960 0.018 0.000 0.212 496 G C 0.132 174.984 174.900 -0.080 0.000 1.031 496 G CA -0.235 44.852 45.100 -0.021 0.000 0.730 496 G HN 0.549 nan 8.290 nan 0.000 0.501 497 S N -0.737 114.923 115.700 -0.067 0.000 2.726 497 S HA 0.554 5.035 4.470 0.018 0.000 0.308 497 S C -0.312 174.274 174.600 -0.023 0.000 1.115 497 S CA -0.684 57.472 58.200 -0.073 0.000 0.965 497 S CB 1.750 64.906 63.200 -0.074 0.000 1.145 497 S HN 0.337 nan 8.310 nan 0.000 0.532 498 D N 2.439 122.834 120.400 -0.008 0.000 2.434 498 D HA 0.059 4.710 4.640 0.018 0.000 0.252 498 D C -1.581 174.728 176.300 0.015 0.000 1.185 498 D CA -1.063 52.940 54.000 0.004 0.000 0.886 498 D CB 0.943 41.751 40.800 0.013 0.000 1.148 498 D HN 0.109 nan 8.370 nan 0.000 0.483 499 P HA -0.034 nan 4.420 nan 0.000 0.242 499 P C 0.835 178.147 177.300 0.020 0.000 1.197 499 P CA 0.571 63.681 63.100 0.016 0.000 0.765 499 P CB 0.159 31.863 31.700 0.008 0.000 0.936 500 R N 0.239 120.751 120.500 0.020 0.000 2.237 500 R HA 0.187 4.538 4.340 0.018 0.000 0.195 500 R C 1.595 177.914 176.300 0.031 0.000 0.956 500 R CA 0.821 56.934 56.100 0.022 0.000 1.029 500 R CB -1.236 29.074 30.300 0.016 0.000 0.972 500 R HN 0.482 nan 8.270 nan 0.000 0.493 501 S N 0.271 115.993 115.700 0.037 0.000 2.634 501 S HA 0.105 4.585 4.470 0.018 0.000 0.261 501 S C 0.402 175.041 174.600 0.066 0.000 1.271 501 S CA -0.161 58.069 58.200 0.050 0.000 0.985 501 S CB 0.961 64.192 63.200 0.050 0.000 0.968 501 S HN 0.367 nan 8.310 nan 0.000 0.568 502 N N 0.479 119.230 118.700 0.084 0.000 2.188 502 N HA 0.030 4.781 4.740 0.018 0.000 0.184 502 N C 1.610 177.199 175.510 0.131 0.000 1.018 502 N CA 0.909 54.024 53.050 0.107 0.000 0.858 502 N CB -0.877 37.685 38.487 0.126 0.000 0.989 502 N HN 0.592 nan 8.380 nan 0.000 0.426 503 L N -0.281 121.021 121.223 0.132 0.000 2.189 503 L HA -0.167 4.184 4.340 0.018 0.000 0.214 503 L C 1.151 178.093 176.870 0.120 0.000 1.097 503 L CA 0.757 55.682 54.840 0.143 0.000 0.764 503 L CB -0.217 41.922 42.059 0.133 0.000 0.900 503 L HN 0.216 nan 8.230 nan 0.000 0.436 504 c N -0.917 117.739 118.600 0.094 0.000 2.884 504 c HA 0.356 4.937 4.570 0.018 0.000 0.287 504 c C 2.537 176.678 174.090 0.086 0.000 1.310 504 c CA -0.284 56.097 56.329 0.086 0.000 1.725 504 c CB -0.767 41.776 42.510 0.055 0.000 2.060 504 c HN 0.496 nan 8.230 nan 0.000 0.618 505 A N 1.176 124.054 122.820 0.096 0.000 1.972 505 A HA -0.069 4.262 4.320 0.018 0.000 0.219 505 A C 1.760 179.395 177.584 0.085 0.000 1.169 505 A CA 1.468 53.554 52.037 0.083 0.000 0.635 505 A CB -0.323 18.730 19.000 0.087 0.000 0.810 505 A HN 0.657 nan 8.150 nan 0.000 0.446 506 L N -0.629 120.664 121.223 0.118 0.000 2.607 506 L HA 0.117 4.468 4.340 0.018 0.000 0.228 506 L C 0.174 177.130 176.870 0.144 0.000 1.123 506 L CA -0.752 54.170 54.840 0.138 0.000 0.890 506 L CB -0.487 41.678 42.059 0.178 0.000 1.103 506 L HN 0.228 nan 8.230 nan 0.000 0.468 507 c N 1.357 120.018 118.600 0.100 0.000 2.657 507 c HA 0.132 4.713 4.570 0.018 0.000 0.404 507 c C 1.875 175.875 174.090 -0.150 0.000 1.291 507 c CA -0.530 55.817 56.329 0.030 0.000 2.218 507 c CB 0.409 42.959 42.510 0.067 0.000 2.687 507 c HN 0.510 nan 8.230 nan 0.000 0.634 508 I N 0.053 120.415 120.570 -0.348 0.000 4.081 508 I HA 0.439 4.620 4.170 0.018 0.000 0.333 508 I C 0.892 176.888 176.117 -0.201 0.000 1.413 508 I CA 0.462 61.568 61.300 -0.324 0.000 1.110 508 I CB -0.831 36.842 38.000 -0.544 0.000 1.082 508 I HN 0.883 nan 8.210 nan 0.000 0.402 509 G N 3.158 111.879 108.800 -0.131 0.000 2.682 509 G HA2 -0.320 3.650 3.960 0.018 0.000 0.256 509 G HA3 -0.320 3.650 3.960 0.018 0.000 0.256 509 G C -0.477 174.370 174.900 -0.089 0.000 1.333 509 G CA 0.442 45.493 45.100 -0.081 0.000 0.904 509 G HN 0.786 nan 8.290 nan 0.000 0.569 510 D N -0.930 119.435 120.400 -0.059 0.000 2.478 510 D HA 0.464 5.115 4.640 0.018 0.000 0.274 510 D C 1.257 177.531 176.300 -0.043 0.000 1.234 510 D CA -0.044 53.929 54.000 -0.044 0.000 1.069 510 D CB 0.059 40.844 40.800 -0.025 0.000 1.113 510 D HN 0.497 nan 8.370 nan 0.000 0.571 511 E N -1.490 118.697 120.200 -0.021 0.000 2.339 511 E HA -0.193 4.168 4.350 0.018 0.000 0.201 511 E C 1.072 177.663 176.600 -0.015 0.000 1.015 511 E CA 1.322 57.715 56.400 -0.012 0.000 0.841 511 E CB -0.015 29.689 29.700 0.007 0.000 0.754 511 E HN 0.308 nan 8.360 nan 0.000 0.508 512 Q N -1.628 118.160 119.800 -0.020 0.000 2.247 512 Q HA 0.229 4.580 4.340 0.018 0.000 0.211 512 Q C 0.845 176.829 176.000 -0.027 0.000 0.861 512 Q CA 0.566 56.358 55.803 -0.019 0.000 0.949 512 Q CB 1.014 29.743 28.738 -0.015 0.000 1.115 512 Q HN 0.299 nan 8.270 nan 0.000 0.507 513 G N 1.687 110.463 108.800 -0.040 0.000 2.221 513 G HA2 -0.215 3.756 3.960 0.018 0.000 0.265 513 G HA3 -0.215 3.756 3.960 0.018 0.000 0.265 513 G C -0.151 174.726 174.900 -0.039 0.000 1.041 513 G CA 0.272 45.344 45.100 -0.047 0.000 0.807 513 G HN 0.151 nan 8.290 nan 0.000 0.502 514 E N 0.028 120.205 120.200 -0.038 0.000 2.244 514 E HA 0.463 4.824 4.350 0.018 0.000 0.266 514 E C 0.871 177.450 176.600 -0.036 0.000 0.914 514 E CA -0.796 55.585 56.400 -0.032 0.000 0.794 514 E CB 0.851 30.536 29.700 -0.025 0.000 1.210 514 E HN 0.236 nan 8.360 nan 0.000 0.414 515 N N 1.040 119.721 118.700 -0.032 0.000 2.815 515 N HA -0.160 4.591 4.740 0.018 0.000 0.249 515 N C -0.861 174.630 175.510 -0.032 0.000 1.114 515 N CA 0.653 53.683 53.050 -0.034 0.000 0.717 515 N CB -0.860 37.602 38.487 -0.041 0.000 1.074 515 N HN 0.396 nan 8.380 nan 0.000 0.555 516 K N 0.087 120.469 120.400 -0.030 0.000 2.412 516 K HA 0.175 4.506 4.320 0.018 0.000 0.281 516 K C 1.096 177.693 176.600 -0.005 0.000 1.027 516 K CA 0.288 56.559 56.287 -0.027 0.000 0.989 516 K CB 0.790 33.273 32.500 -0.028 0.000 0.935 516 K HN 0.418 nan 8.250 nan 0.000 0.475 517 c N 2.267 120.876 118.600 0.015 0.000 4.432 517 c HA -0.140 4.441 4.570 0.018 0.000 0.294 517 c C 0.134 174.248 174.090 0.039 0.000 1.398 517 c CA -0.176 56.179 56.329 0.043 0.000 1.988 517 c CB -2.176 40.358 42.510 0.040 0.000 1.251 517 c HN 0.547 nan 8.230 nan 0.000 0.791 518 V N 3.025 122.953 119.914 0.024 0.000 2.546 518 V HA 0.371 4.501 4.120 0.018 0.000 0.284 518 V C -0.942 175.160 176.094 0.013 0.000 1.050 518 V CA -0.441 61.857 62.300 -0.004 0.000 0.981 518 V CB 1.682 33.477 31.823 -0.047 0.000 0.990 518 V HN 0.405 nan 8.190 nan 0.000 0.474 519 P HA 0.095 nan 4.420 nan 0.000 0.249 519 P C -0.871 176.199 177.300 -0.383 0.000 1.686 519 P CA 0.125 63.281 63.100 0.092 0.000 0.873 519 P CB -0.395 31.377 31.700 0.120 0.000 1.828 520 N N -2.466 115.751 118.700 -0.805 0.000 2.710 520 N HA 0.081 4.832 4.740 0.018 0.000 0.257 520 N C 0.673 175.663 175.510 -0.866 0.000 1.327 520 N CA -0.744 51.742 53.050 -0.940 0.000 0.861 520 N CB 0.100 38.346 38.487 -0.401 0.000 1.532 520 N HN -0.233 nan 8.380 nan 0.000 0.499 521 S N -0.123 115.221 115.700 -0.594 0.000 2.461 521 S HA -0.278 4.203 4.470 0.018 0.000 0.249 521 S C 0.988 175.541 174.600 -0.079 0.000 1.012 521 S CA 1.098 59.194 58.200 -0.174 0.000 0.982 521 S CB -0.784 62.399 63.200 -0.028 0.000 0.764 521 S HN 0.591 nan 8.310 nan 0.000 0.506 522 N N 1.814 120.440 118.700 -0.123 0.000 2.120 522 N HA -0.058 4.693 4.740 0.018 0.000 0.188 522 N C 0.713 176.199 175.510 -0.041 0.000 1.024 522 N CA 1.297 54.309 53.050 -0.064 0.000 0.852 522 N CB -0.609 37.838 38.487 -0.066 0.000 1.003 522 N HN 0.715 nan 8.380 nan 0.000 0.424 523 E N 1.491 121.665 120.200 -0.044 0.000 2.265 523 E HA 0.049 4.410 4.350 0.018 0.000 0.272 523 E C 0.606 177.252 176.600 0.076 0.000 1.067 523 E CA 0.047 56.456 56.400 0.015 0.000 0.900 523 E CB 0.435 30.178 29.700 0.070 0.000 1.017 523 E HN 0.069 nan 8.360 nan 0.000 0.431 524 R N 3.407 123.920 120.500 0.022 0.000 2.200 524 R HA -0.144 4.207 4.340 0.018 0.000 0.234 524 R C 0.428 176.872 176.300 0.241 0.000 1.127 524 R CA 0.977 57.114 56.100 0.062 0.000 0.989 524 R CB -0.081 30.188 30.300 -0.052 0.000 0.869 524 R HN 0.577 nan 8.270 nan 0.000 0.459 525 Y N -1.259 119.036 120.300 -0.008 0.000 2.524 525 Y HA 0.113 4.674 4.550 0.018 0.000 0.266 525 Y C -0.055 175.891 175.900 0.077 0.000 1.180 525 Y CA -1.486 56.605 58.100 -0.016 0.000 1.244 525 Y CB -0.607 37.843 38.460 -0.018 0.000 1.125 525 Y HN -0.013 nan 8.280 nan 0.000 0.524 526 Y N 0.399 120.786 120.300 0.145 0.000 2.307 526 Y HA 0.528 5.089 4.550 0.018 0.000 0.324 526 Y C 0.990 176.937 175.900 0.078 0.000 1.238 526 Y CA 0.292 58.450 58.100 0.096 0.000 1.280 526 Y CB 0.658 39.160 38.460 0.070 0.000 1.248 526 Y HN 0.328 nan 8.280 nan 0.000 0.508 527 G N 3.113 111.412 108.800 -0.835 0.000 2.697 527 G HA2 -0.371 3.600 3.960 0.018 0.000 0.240 527 G HA3 -0.371 3.600 3.960 0.018 0.000 0.240 527 G C -0.074 174.697 174.900 -0.215 0.000 1.346 527 G CA 0.311 45.026 45.100 -0.641 0.000 0.887 527 G HN 0.805 nan 8.290 nan 0.000 0.569 528 Y N 0.285 120.564 120.300 -0.034 0.000 2.081 528 Y HA -0.140 4.421 4.550 0.018 0.000 0.280 528 Y C 3.514 179.444 175.900 0.051 0.000 1.163 528 Y CA 2.697 60.800 58.100 0.005 0.000 1.135 528 Y CB -1.161 37.284 38.460 -0.025 0.000 0.970 528 Y HN 0.590 nan 8.280 nan 0.000 0.498 529 T N -0.727 113.996 114.554 0.282 0.000 2.737 529 T HA -0.129 4.232 4.350 0.018 0.000 0.265 529 T C 2.251 177.070 174.700 0.197 0.000 1.038 529 T CA 1.467 63.746 62.100 0.298 0.000 1.144 529 T CB -0.998 68.059 68.868 0.314 0.000 0.866 529 T HN 0.569 nan 8.240 nan 0.000 0.434 530 G N 1.010 109.878 108.800 0.114 0.000 2.422 530 G HA2 -0.050 3.921 3.960 0.018 0.000 0.218 530 G HA3 -0.050 3.921 3.960 0.018 0.000 0.218 530 G C 1.806 176.619 174.900 -0.145 0.000 1.146 530 G CA 0.943 46.044 45.100 0.002 0.000 0.769 530 G HN 0.573 nan 8.290 nan 0.000 0.547 531 A N 0.425 123.208 122.820 -0.060 0.000 1.873 531 A HA 0.081 4.412 4.320 0.018 0.000 0.215 531 A C 2.154 179.637 177.584 -0.168 0.000 1.186 531 A CA 1.536 53.509 52.037 -0.107 0.000 0.616 531 A CB -0.582 18.415 19.000 -0.006 0.000 0.823 531 A HN 0.349 nan 8.150 nan 0.000 0.442 532 F N 0.907 120.744 119.950 -0.188 0.000 2.069 532 F HA -0.206 4.331 4.527 0.018 0.000 0.298 532 F C 2.393 178.018 175.800 -0.292 0.000 1.113 532 F CA 2.149 60.033 58.000 -0.193 0.000 1.214 532 F CB -0.347 38.607 39.000 -0.077 0.000 0.978 532 F HN 0.269 nan 8.300 nan 0.000 0.474 533 R N -0.276 119.838 120.500 -0.643 0.000 2.193 533 R HA -0.194 4.156 4.340 0.018 0.000 0.229 533 R C 2.425 178.182 176.300 -0.906 0.000 1.110 533 R CA 1.425 56.869 56.100 -1.094 0.000 0.988 533 R CB -1.191 28.080 30.300 -1.716 0.000 0.871 533 R HN 0.542 nan 8.270 nan 0.000 0.458 534 c N 0.306 118.281 118.600 -1.042 0.000 2.432 534 c HA -0.002 4.579 4.570 0.018 0.000 0.280 534 c C 2.273 176.028 174.090 -0.559 0.000 1.353 534 c CA 0.377 55.986 56.329 -1.200 0.000 1.766 534 c CB -0.949 40.903 42.510 -1.098 0.000 1.924 534 c HN 0.669 nan 8.230 nan 0.000 0.509 535 L N 1.946 122.864 121.223 -0.508 0.000 2.116 535 L HA 0.339 4.689 4.340 0.018 0.000 0.200 535 L C 2.715 179.438 176.870 -0.246 0.000 1.084 535 L CA 2.256 56.900 54.840 -0.327 0.000 0.766 535 L CB -1.185 40.664 42.059 -0.349 0.000 0.930 535 L HN 0.207 nan 8.230 nan 0.000 0.453 536 A N -0.757 121.817 122.820 -0.409 0.000 2.104 536 A HA -0.241 4.090 4.320 0.018 0.000 0.223 536 A C 1.727 179.290 177.584 -0.035 0.000 1.164 536 A CA 2.099 54.041 52.037 -0.159 0.000 0.659 536 A CB -0.713 18.185 19.000 -0.171 0.000 0.808 536 A HN 0.706 nan 8.150 nan 0.000 0.465 537 E N -0.434 119.707 120.200 -0.099 0.000 2.569 537 E HA 0.090 4.450 4.350 0.018 0.000 0.205 537 E C -0.539 176.063 176.600 0.003 0.000 1.006 537 E CA -0.402 55.996 56.400 -0.003 0.000 0.985 537 E CB 0.076 29.793 29.700 0.029 0.000 1.060 537 E HN 0.528 nan 8.360 nan 0.000 0.460 538 N N 0.449 119.134 118.700 -0.024 0.000 2.710 538 N HA -0.267 4.484 4.740 0.018 0.000 0.249 538 N C 0.590 176.097 175.510 -0.006 0.000 1.059 538 N CA 0.833 53.873 53.050 -0.016 0.000 0.720 538 N CB -1.122 37.368 38.487 0.005 0.000 0.983 538 N HN 0.389 nan 8.380 nan 0.000 0.544 539 A N -0.548 122.258 122.820 -0.023 0.000 1.861 539 A HA 0.363 4.694 4.320 0.018 0.000 0.212 539 A C 1.402 178.986 177.584 0.000 0.000 1.199 539 A CA 1.627 53.682 52.037 0.030 0.000 0.613 539 A CB -0.259 18.819 19.000 0.130 0.000 0.846 539 A HN 0.471 nan 8.150 nan 0.000 0.446 540 G N -1.842 106.917 108.800 -0.068 0.000 2.642 540 G HA2 0.456 4.427 3.960 0.018 0.000 0.291 540 G HA3 0.456 4.427 3.960 0.018 0.000 0.291 540 G C -0.489 174.371 174.900 -0.067 0.000 1.345 540 G CA 0.182 45.246 45.100 -0.060 0.000 1.043 540 G HN 0.089 nan 8.290 nan 0.000 0.528 541 D N -1.709 118.651 120.400 -0.066 0.000 2.479 541 D HA 0.166 4.816 4.640 0.018 0.000 0.221 541 D C 0.077 176.326 176.300 -0.085 0.000 1.104 541 D CA 0.323 54.295 54.000 -0.046 0.000 0.849 541 D CB 1.707 42.507 40.800 0.001 0.000 1.072 541 D HN 0.163 nan 8.370 nan 0.000 0.502 542 V N 0.187 119.987 119.914 -0.190 0.000 2.971 542 V HA 0.757 4.888 4.120 0.018 0.000 0.309 542 V C -1.790 173.947 176.094 -0.596 0.000 1.130 542 V CA -0.725 61.369 62.300 -0.344 0.000 0.964 542 V CB 2.067 33.700 31.823 -0.316 0.000 1.029 542 V HN 0.067 nan 8.190 nan 0.000 0.427 543 A N 5.192 127.609 122.820 -0.671 0.000 2.386 543 A HA 0.908 5.239 4.320 0.018 0.000 0.311 543 A C -1.464 175.649 177.584 -0.784 0.000 1.068 543 A CA -0.430 51.249 52.037 -0.597 0.000 0.743 543 A CB 1.317 20.192 19.000 -0.209 0.000 1.258 543 A HN 0.774 nan 8.150 nan 0.000 0.429 544 F N 2.377 122.264 119.950 -0.106 0.000 2.308 544 F HA 0.511 5.050 4.527 0.020 0.000 0.370 544 F C 0.638 176.494 175.800 0.092 0.000 1.100 544 F CA -0.289 57.711 58.000 -0.001 0.000 1.108 544 F CB 1.444 40.427 39.000 -0.027 0.000 1.293 544 F HN 0.555 nan 8.300 nan 0.000 0.478 545 V N -0.026 120.017 119.914 0.215 0.000 3.149 545 V HA 0.684 4.815 4.120 0.018 0.000 0.310 545 V C -0.787 175.422 176.094 0.191 0.000 1.353 545 V CA -1.333 61.131 62.300 0.273 0.000 1.040 545 V CB 1.852 33.777 31.823 0.171 0.000 1.136 545 V HN 0.507 nan 8.190 nan 0.000 0.477 546 K N -0.284 120.125 120.400 0.016 0.000 2.258 546 K HA 0.527 4.857 4.320 0.018 0.000 0.236 546 K C 0.158 176.669 176.600 -0.149 0.000 1.008 546 K CA 0.098 56.344 56.287 -0.069 0.000 0.869 546 K CB 1.502 33.855 32.500 -0.246 0.000 1.171 546 K HN 0.698 nan 8.250 nan 0.000 0.447 547 D N 0.666 120.986 120.400 -0.134 0.000 2.277 547 D HA -0.150 4.501 4.640 0.018 0.000 0.208 547 D C 1.718 177.880 176.300 -0.231 0.000 0.962 547 D CA 1.126 55.032 54.000 -0.157 0.000 0.865 547 D CB -0.609 40.139 40.800 -0.088 0.000 0.939 547 D HN 0.376 nan 8.370 nan 0.000 0.510 548 V N -0.788 118.961 119.914 -0.275 0.000 2.568 548 V HA -0.228 3.903 4.120 0.018 0.000 0.253 548 V C 2.126 178.026 176.094 -0.323 0.000 1.072 548 V CA 2.002 64.129 62.300 -0.289 0.000 1.084 548 V CB -1.646 29.988 31.823 -0.314 0.000 0.676 548 V HN 0.090 nan 8.190 nan 0.000 0.469 549 T N 1.242 115.569 114.554 -0.377 0.000 2.684 549 T HA -0.167 4.194 4.350 0.018 0.000 0.267 549 T C 1.950 176.308 174.700 -0.571 0.000 1.036 549 T CA 2.133 63.999 62.100 -0.390 0.000 1.148 549 T CB -0.488 68.199 68.868 -0.302 0.000 0.863 549 T HN 0.482 nan 8.240 nan 0.000 0.436 550 V N 1.258 120.770 119.914 -0.670 0.000 2.244 550 V HA -0.101 4.030 4.120 0.018 0.000 0.244 550 V C 2.442 178.255 176.094 -0.467 0.000 1.042 550 V CA 1.254 63.021 62.300 -0.889 0.000 1.006 550 V CB -0.960 30.464 31.823 -0.665 0.000 0.641 550 V HN 0.255 nan 8.190 nan 0.000 0.446 551 L N 0.219 121.265 121.223 -0.295 0.000 1.963 551 L HA -0.286 4.064 4.340 0.018 0.000 0.220 551 L C 2.656 179.421 176.870 -0.175 0.000 1.076 551 L CA 2.119 56.849 54.840 -0.183 0.000 0.772 551 L CB -1.251 40.720 42.059 -0.146 0.000 0.892 551 L HN 0.353 nan 8.230 nan 0.000 0.435 552 Q N -0.666 119.022 119.800 -0.187 0.000 2.376 552 Q HA -0.178 4.173 4.340 0.018 0.000 0.211 552 Q C 0.995 176.912 176.000 -0.138 0.000 0.986 552 Q CA 1.228 56.942 55.803 -0.148 0.000 0.886 552 Q CB -0.341 28.307 28.738 -0.150 0.000 0.927 552 Q HN 0.615 nan 8.270 nan 0.000 0.457 553 N N 0.386 118.976 118.700 -0.183 0.000 2.200 553 N HA 0.041 4.792 4.740 0.018 0.000 0.224 553 N C -0.397 175.056 175.510 -0.095 0.000 1.179 553 N CA 0.240 53.211 53.050 -0.132 0.000 0.877 553 N CB 1.132 39.617 38.487 -0.002 0.000 1.072 553 N HN 0.181 nan 8.380 nan 0.000 0.519 554 T N -2.768 111.733 114.554 -0.088 0.000 2.883 554 T HA 0.324 4.685 4.350 0.018 0.000 0.296 554 T C -0.731 173.959 174.700 -0.017 0.000 1.117 554 T CA -0.446 61.654 62.100 0.001 0.000 1.006 554 T CB 2.428 71.343 68.868 0.078 0.000 1.191 554 T HN -0.115 nan 8.240 nan 0.000 0.508 555 D N 0.185 120.593 120.400 0.013 0.000 2.737 555 D HA -0.090 4.561 4.640 0.018 0.000 0.243 555 D C 1.305 177.591 176.300 -0.024 0.000 1.109 555 D CA 2.096 56.097 54.000 0.001 0.000 0.702 555 D CB -1.593 39.208 40.800 0.002 0.000 1.068 555 D HN 1.673 nan 8.370 nan 0.000 0.432 556 G N 0.066 108.844 108.800 -0.037 0.000 2.228 556 G HA2 -0.481 3.489 3.960 0.018 0.000 0.270 556 G HA3 -0.481 3.489 3.960 0.018 0.000 0.270 556 G C 1.234 176.095 174.900 -0.064 0.000 0.976 556 G CA 0.725 45.795 45.100 -0.051 0.000 0.636 556 G HN 0.479 nan 8.290 nan 0.000 0.542 557 N N 0.554 119.213 118.700 -0.067 0.000 2.348 557 N HA -0.059 4.692 4.740 0.018 0.000 0.185 557 N C 0.693 176.145 175.510 -0.097 0.000 1.019 557 N CA 1.388 54.393 53.050 -0.074 0.000 0.880 557 N CB -0.127 38.311 38.487 -0.081 0.000 0.965 557 N HN 0.642 nan 8.380 nan 0.000 0.437 558 N N 0.288 118.908 118.700 -0.134 0.000 2.352 558 N HA 0.171 4.922 4.740 0.018 0.000 0.291 558 N C -1.508 173.880 175.510 -0.204 0.000 1.040 558 N CA -0.344 52.595 53.050 -0.185 0.000 0.864 558 N CB 0.534 38.859 38.487 -0.270 0.000 1.440 558 N HN -0.179 nan 8.380 nan 0.000 0.483 559 N N 1.362 119.971 118.700 -0.152 0.000 2.635 559 N HA 0.110 4.861 4.740 0.018 0.000 0.307 559 N C -1.185 174.254 175.510 -0.118 0.000 1.433 559 N CA -0.203 52.773 53.050 -0.123 0.000 0.973 559 N CB 0.617 39.061 38.487 -0.072 0.000 1.304 559 N HN 0.543 nan 8.380 nan 0.000 0.507 560 E N 0.213 120.287 120.200 -0.210 0.000 2.145 560 E HA 0.429 4.790 4.350 0.018 0.000 0.270 560 E C 0.733 177.184 176.600 -0.249 0.000 0.906 560 E CA -0.519 55.779 56.400 -0.170 0.000 0.761 560 E CB 1.063 30.693 29.700 -0.117 0.000 1.116 560 E HN 0.264 nan 8.360 nan 0.000 0.408 561 A N 6.893 129.674 122.820 -0.065 0.000 1.923 561 A HA -0.252 4.079 4.320 0.018 0.000 0.222 561 A C 1.840 179.441 177.584 0.027 0.000 1.258 561 A CA 2.233 54.267 52.037 -0.004 0.000 0.670 561 A CB -1.402 17.637 19.000 0.065 0.000 0.834 561 A HN 1.011 nan 8.150 nan 0.000 0.470 562 W N -0.917 120.414 121.300 0.053 0.000 2.305 562 W HA -0.146 4.525 4.660 0.018 0.000 0.308 562 W C 1.821 178.374 176.519 0.058 0.000 1.226 562 W CA 1.716 59.094 57.345 0.055 0.000 1.253 562 W CB -1.080 28.419 29.460 0.065 0.000 1.146 562 W HN 0.465 nan 8.180 nan 0.000 0.507 563 A N 2.160 124.537 122.820 -0.739 0.000 2.195 563 A HA -0.055 4.276 4.320 0.018 0.000 0.210 563 A C 2.151 179.548 177.584 -0.312 0.000 1.165 563 A CA 1.025 52.602 52.037 -0.767 0.000 0.806 563 A CB -0.620 17.544 19.000 -1.394 0.000 0.847 563 A HN 0.440 nan 8.150 nan 0.000 0.482 564 K N 0.293 120.566 120.400 -0.212 0.000 2.059 564 K HA -0.242 4.088 4.320 0.018 0.000 0.212 564 K C 0.353 176.927 176.600 -0.044 0.000 1.050 564 K CA 1.987 58.210 56.287 -0.107 0.000 0.927 564 K CB -0.499 31.961 32.500 -0.067 0.000 0.714 564 K HN 0.325 nan 8.250 nan 0.000 0.447 565 D N 0.931 121.331 120.400 0.000 0.000 2.360 565 D HA 0.139 4.790 4.640 0.018 0.000 0.210 565 D C 0.689 177.033 176.300 0.073 0.000 1.047 565 D CA 0.024 54.044 54.000 0.032 0.000 0.854 565 D CB 0.083 40.903 40.800 0.034 0.000 0.936 565 D HN 0.189 nan 8.370 nan 0.000 0.514 566 L N 1.435 122.732 121.223 0.123 0.000 2.514 566 L HA 0.026 4.377 4.340 0.018 0.000 0.280 566 L C 0.711 177.708 176.870 0.212 0.000 1.223 566 L CA 0.503 55.498 54.840 0.258 0.000 0.864 566 L CB 0.221 42.511 42.059 0.385 0.000 1.118 566 L HN -0.318 nan 8.230 nan 0.000 0.494 567 K N 2.452 122.998 120.400 0.244 0.000 2.426 567 K HA 0.237 4.568 4.320 0.018 0.000 0.251 567 K C 0.371 177.128 176.600 0.262 0.000 0.941 567 K CA -0.927 55.458 56.287 0.164 0.000 0.808 567 K CB 2.366 34.914 32.500 0.081 0.000 1.265 567 K HN 0.302 nan 8.250 nan 0.000 0.432 568 L N 2.743 124.090 121.223 0.206 0.000 2.043 568 L HA -0.206 4.145 4.340 0.018 0.000 0.212 568 L C 1.831 178.835 176.870 0.224 0.000 1.075 568 L CA 2.318 57.302 54.840 0.240 0.000 0.752 568 L CB -0.597 41.524 42.059 0.103 0.000 0.891 568 L HN 0.891 nan 8.230 nan 0.000 0.432 569 A N -1.498 121.385 122.820 0.105 0.000 2.272 569 A HA -0.169 4.162 4.320 0.018 0.000 0.213 569 A C 1.478 179.036 177.584 -0.043 0.000 1.183 569 A CA 1.656 53.714 52.037 0.035 0.000 0.719 569 A CB -0.653 18.355 19.000 0.014 0.000 0.771 569 A HN 0.558 nan 8.150 nan 0.000 0.484 570 D N -1.884 118.425 120.400 -0.152 0.000 2.369 570 D HA 0.269 4.920 4.640 0.018 0.000 0.211 570 D C -0.444 175.398 176.300 -0.764 0.000 1.077 570 D CA 0.236 53.951 54.000 -0.474 0.000 0.842 570 D CB 0.162 40.461 40.800 -0.836 0.000 0.947 570 D HN 0.386 nan 8.370 nan 0.000 0.509 571 F N 0.626 120.618 119.950 0.070 0.000 2.556 571 F HA 0.723 5.261 4.527 0.018 0.000 0.327 571 F C 0.297 176.129 175.800 0.054 0.000 1.059 571 F CA -1.226 56.826 58.000 0.087 0.000 0.953 571 F CB 1.704 40.800 39.000 0.161 0.000 1.227 571 F HN -0.272 nan 8.300 nan 0.000 0.478 572 A N 1.534 124.491 122.820 0.229 0.000 2.606 572 A HA 0.850 5.181 4.320 0.018 0.000 0.293 572 A C -1.903 175.758 177.584 0.128 0.000 1.082 572 A CA -0.746 51.370 52.037 0.131 0.000 0.685 572 A CB 1.449 20.498 19.000 0.081 0.000 1.284 572 A HN 0.693 nan 8.150 nan 0.000 0.408 573 L N 0.855 122.135 121.223 0.095 0.000 2.334 573 L HA 0.518 4.868 4.340 0.018 0.000 0.276 573 L C -1.127 175.799 176.870 0.093 0.000 1.014 573 L CA -0.931 53.962 54.840 0.088 0.000 0.815 573 L CB 1.481 43.580 42.059 0.066 0.000 1.268 573 L HN 0.541 nan 8.230 nan 0.000 0.428 574 L N 2.415 123.715 121.223 0.128 0.000 2.281 574 L HA 0.299 4.650 4.340 0.018 0.000 0.285 574 L C -0.134 176.807 176.870 0.120 0.000 1.074 574 L CA 0.278 55.223 54.840 0.175 0.000 0.817 574 L CB 0.926 43.179 42.059 0.324 0.000 1.168 574 L HN 0.647 nan 8.230 nan 0.000 0.434 575 c N 3.339 121.988 118.600 0.082 0.000 2.382 575 c HA 0.278 4.859 4.570 0.018 0.000 0.363 575 c C 2.135 176.222 174.090 -0.004 0.000 1.213 575 c CA -0.952 55.370 56.329 -0.011 0.000 2.363 575 c CB 0.805 43.301 42.510 -0.023 0.000 2.397 575 c HN 0.806 nan 8.230 nan 0.000 0.573 576 L N 1.468 122.604 121.223 -0.146 0.000 2.265 576 L HA -0.118 4.233 4.340 0.018 0.000 0.215 576 L C 2.134 179.010 176.870 0.010 0.000 1.117 576 L CA 1.419 56.137 54.840 -0.203 0.000 0.782 576 L CB -0.503 41.374 42.059 -0.304 0.000 0.914 576 L HN 0.823 nan 8.230 nan 0.000 0.441 577 D N -0.227 120.177 120.400 0.007 0.000 2.371 577 D HA -0.065 4.585 4.640 0.018 0.000 0.221 577 D C 1.556 177.900 176.300 0.073 0.000 0.986 577 D CA 0.940 54.959 54.000 0.032 0.000 0.899 577 D CB -0.057 40.744 40.800 0.001 0.000 0.902 577 D HN 0.284 nan 8.370 nan 0.000 0.530 578 G N -0.557 108.316 108.800 0.123 0.000 2.195 578 G HA2 -0.307 3.664 3.960 0.018 0.000 0.246 578 G HA3 -0.307 3.664 3.960 0.018 0.000 0.246 578 G C 0.454 175.408 174.900 0.090 0.000 0.984 578 G CA 0.396 45.571 45.100 0.125 0.000 0.633 578 G HN 0.464 nan 8.290 nan 0.000 0.525 579 K N 0.170 120.611 120.400 0.068 0.000 2.318 579 K HA 0.842 5.173 4.320 0.018 0.000 0.243 579 K C 0.958 177.595 176.600 0.062 0.000 1.047 579 K CA -0.181 56.136 56.287 0.049 0.000 0.937 579 K CB 0.339 32.855 32.500 0.026 0.000 1.225 579 K HN 0.429 nan 8.250 nan 0.000 0.506 580 R N 0.130 120.659 120.500 0.047 0.000 2.771 580 R HA 0.547 4.898 4.340 0.018 0.000 0.274 580 R C -0.827 175.495 176.300 0.036 0.000 0.987 580 R CA -0.968 55.163 56.100 0.051 0.000 0.908 580 R CB 2.185 32.516 30.300 0.052 0.000 1.213 580 R HN 0.367 nan 8.270 nan 0.000 0.468 581 K N 0.854 121.278 120.400 0.040 0.000 2.579 581 K HA 0.423 4.754 4.320 0.018 0.000 0.284 581 K C -2.929 173.696 176.600 0.042 0.000 0.990 581 K CA -1.984 54.322 56.287 0.031 0.000 0.880 581 K CB 2.732 35.244 32.500 0.019 0.000 1.488 581 K HN 0.295 nan 8.250 nan 0.000 0.425 582 P HA 0.102 nan 4.420 nan 0.000 0.281 582 P C 0.686 178.011 177.300 0.042 0.000 1.249 582 P CA -0.562 62.563 63.100 0.042 0.000 0.810 582 P CB 0.812 32.530 31.700 0.030 0.000 1.008 583 V N 1.445 121.391 119.914 0.054 0.000 2.380 583 V HA -0.257 3.874 4.120 0.018 0.000 0.251 583 V C 2.136 178.237 176.094 0.013 0.000 1.063 583 V CA 2.857 65.177 62.300 0.034 0.000 1.055 583 V CB -1.911 29.932 31.823 0.034 0.000 0.657 583 V HN 0.736 nan 8.190 nan 0.000 0.455 584 T N -2.122 112.439 114.554 0.012 0.000 3.155 584 T HA -0.077 4.284 4.350 0.018 0.000 0.264 584 T C 1.061 175.767 174.700 0.009 0.000 1.160 584 T CA 0.993 63.095 62.100 0.003 0.000 1.075 584 T CB -0.306 68.563 68.868 0.002 0.000 0.921 584 T HN 0.659 nan 8.240 nan 0.000 0.533 585 E N 0.298 120.508 120.200 0.017 0.000 2.499 585 E HA 0.461 4.822 4.350 0.018 0.000 0.199 585 E C 1.788 178.407 176.600 0.031 0.000 1.016 585 E CA -0.073 56.338 56.400 0.018 0.000 0.933 585 E CB 0.250 29.957 29.700 0.011 0.000 1.050 585 E HN 0.579 nan 8.360 nan 0.000 0.462 586 A N 1.076 123.922 122.820 0.044 0.000 2.186 586 A HA -0.206 4.125 4.320 0.018 0.000 0.219 586 A C 2.095 179.810 177.584 0.218 0.000 1.159 586 A CA 1.211 53.306 52.037 0.096 0.000 0.680 586 A CB -0.265 18.776 19.000 0.070 0.000 0.787 586 A HN 0.046 nan 8.150 nan 0.000 0.467 587 R N 0.579 121.163 120.500 0.141 0.000 2.090 587 R HA -0.063 4.288 4.340 0.018 0.000 0.228 587 R C 1.943 178.334 176.300 0.152 0.000 1.110 587 R CA 1.750 57.965 56.100 0.191 0.000 0.973 587 R CB -0.229 30.121 30.300 0.084 0.000 0.869 587 R HN 0.565 nan 8.270 nan 0.000 0.440 588 S N -2.398 113.314 115.700 0.020 0.000 2.582 588 S HA 0.135 4.616 4.470 0.018 0.000 0.234 588 S C 0.198 174.697 174.600 -0.168 0.000 0.961 588 S CA -0.403 57.746 58.200 -0.086 0.000 0.953 588 S CB 0.067 63.242 63.200 -0.041 0.000 0.800 588 S HN 0.281 nan 8.310 nan 0.000 0.471 589 c N 3.796 122.290 118.600 -0.176 0.000 3.482 589 c HA 0.488 5.069 4.570 0.018 0.000 0.208 589 c C -0.613 173.400 174.090 -0.129 0.000 1.306 589 c CA -0.476 55.755 56.329 -0.163 0.000 1.254 589 c CB -1.134 41.342 42.510 -0.057 0.000 1.832 589 c HN 0.768 nan 8.230 nan 0.000 0.554 590 H N 1.159 120.200 119.070 -0.047 0.000 2.851 590 H HA 0.394 4.961 4.556 0.018 0.000 0.372 590 H C 0.236 175.500 175.328 -0.106 0.000 1.158 590 H CA -0.891 55.122 56.048 -0.059 0.000 1.159 590 H CB 0.839 30.575 29.762 -0.044 0.000 1.757 590 H HN 0.244 nan 8.280 nan 0.000 0.546 591 L N 0.781 122.015 121.223 0.018 0.000 2.017 591 L HA 0.050 4.400 4.340 0.018 0.000 0.208 591 L C 1.084 177.942 176.870 -0.020 0.000 1.073 591 L CA 1.910 56.675 54.840 -0.125 0.000 0.745 591 L CB -0.389 41.586 42.059 -0.140 0.000 0.894 591 L HN 0.806 nan 8.230 nan 0.000 0.432 592 A N -1.242 121.624 122.820 0.076 0.000 2.540 592 A HA 0.535 4.866 4.320 0.018 0.000 0.291 592 A C -1.341 176.191 177.584 -0.087 0.000 1.083 592 A CA -0.584 51.475 52.037 0.036 0.000 0.650 592 A CB 1.127 20.120 19.000 -0.012 0.000 1.292 592 A HN 0.010 nan 8.150 nan 0.000 0.435 593 M N 1.582 121.092 119.600 -0.150 0.000 2.066 593 M HA 0.627 5.117 4.480 0.018 0.000 0.340 593 M C -0.042 176.061 176.300 -0.327 0.000 1.053 593 M CA -0.256 54.886 55.300 -0.263 0.000 0.983 593 M CB 0.817 33.276 32.600 -0.235 0.000 1.520 593 M HN 1.169 nan 8.290 nan 0.000 0.428 594 A N 6.857 129.370 122.820 -0.512 0.000 2.316 594 A HA 0.838 5.169 4.320 0.018 0.000 0.284 594 A C -2.713 174.474 177.584 -0.662 0.000 1.115 594 A CA -1.498 50.093 52.037 -0.744 0.000 0.812 594 A CB 0.014 18.314 19.000 -1.167 0.000 1.064 594 A HN 0.560 nan 8.150 nan 0.000 0.489 595 P HA 0.195 nan 4.420 nan 0.000 0.279 595 P C -0.816 176.610 177.300 0.211 0.000 1.239 595 P CA -0.541 62.435 63.100 -0.206 0.000 0.789 595 P CB 0.435 31.963 31.700 -0.285 0.000 0.933 596 N N 0.877 119.809 118.700 0.386 0.000 2.395 596 N HA -0.020 4.731 4.740 0.018 0.000 0.246 596 N C 0.398 176.343 175.510 0.724 0.000 1.246 596 N CA 0.399 53.836 53.050 0.645 0.000 0.879 596 N CB -0.435 38.241 38.487 0.315 0.000 1.098 596 N HN 0.451 nan 8.380 nan 0.000 0.444 597 H N -0.138 119.248 119.070 0.528 0.000 2.852 597 H HA 0.324 4.891 4.556 0.018 0.000 0.362 597 H C -0.156 175.354 175.328 0.304 0.000 1.122 597 H CA -0.289 56.004 56.048 0.408 0.000 1.419 597 H CB 0.627 30.615 29.762 0.377 0.000 1.401 597 H HN 0.581 nan 8.280 nan 0.000 0.609 598 A N 2.499 125.501 122.820 0.303 0.000 2.435 598 A HA 0.378 4.709 4.320 0.018 0.000 0.304 598 A C -0.709 176.941 177.584 0.110 0.000 1.064 598 A CA -0.699 51.396 52.037 0.097 0.000 0.727 598 A CB 1.673 20.488 19.000 -0.309 0.000 1.284 598 A HN 0.500 nan 8.150 nan 0.000 0.415 599 V N 3.151 123.140 119.914 0.124 0.000 2.461 599 V HA 0.625 4.755 4.120 0.018 0.000 0.275 599 V C 0.030 176.132 176.094 0.013 0.000 1.047 599 V CA 0.073 62.459 62.300 0.143 0.000 0.955 599 V CB 0.796 32.838 31.823 0.365 0.000 0.988 599 V HN 1.512 nan 8.190 nan 0.000 0.471 600 V N 4.168 124.048 119.914 -0.057 0.000 2.769 600 V HA 0.995 5.126 4.120 0.018 0.000 0.312 600 V C -0.220 175.814 176.094 -0.100 0.000 1.058 600 V CA 0.160 62.418 62.300 -0.071 0.000 0.952 600 V CB 1.601 33.391 31.823 -0.055 0.000 1.019 600 V HN 1.218 nan 8.190 nan 0.000 0.445 601 S N 1.711 117.371 115.700 -0.067 0.000 2.643 601 S HA 0.587 5.068 4.470 0.018 0.000 0.270 601 S C -0.575 174.002 174.600 -0.038 0.000 1.166 601 S CA -1.021 57.139 58.200 -0.066 0.000 0.815 601 S CB 1.884 65.059 63.200 -0.041 0.000 1.139 601 S HN 0.984 nan 8.310 nan 0.000 0.472 602 R N 0.699 121.181 120.500 -0.031 0.000 2.726 602 R HA 0.320 4.671 4.340 0.018 0.000 0.272 602 R C 1.149 177.447 176.300 -0.005 0.000 1.097 602 R CA -0.273 55.818 56.100 -0.016 0.000 1.198 602 R CB 0.160 30.454 30.300 -0.009 0.000 1.114 602 R HN 0.696 nan 8.270 nan 0.000 0.550 603 M N 1.132 120.733 119.600 0.001 0.000 2.388 603 M HA -0.121 4.369 4.480 0.018 0.000 0.265 603 M C 0.985 177.291 176.300 0.009 0.000 1.088 603 M CA 1.796 57.100 55.300 0.007 0.000 1.134 603 M CB -0.015 32.590 32.600 0.008 0.000 1.384 603 M HN 0.680 nan 8.290 nan 0.000 0.447 604 D N -0.469 119.936 120.400 0.008 0.000 2.218 604 D HA -0.239 4.412 4.640 0.018 0.000 0.204 604 D C 1.638 177.944 176.300 0.010 0.000 0.976 604 D CA 1.134 55.139 54.000 0.008 0.000 0.853 604 D CB -0.145 40.660 40.800 0.008 0.000 0.939 604 D HN 0.135 nan 8.370 nan 0.000 0.481 605 K N -0.136 120.271 120.400 0.012 0.000 2.372 605 K HA 0.215 4.545 4.320 0.018 0.000 0.200 605 K C 1.207 177.825 176.600 0.029 0.000 1.022 605 K CA -0.056 56.242 56.287 0.019 0.000 1.125 605 K CB 0.323 32.834 32.500 0.018 0.000 0.855 605 K HN 0.042 nan 8.250 nan 0.000 0.524 606 V N 1.220 121.149 119.914 0.026 0.000 2.220 606 V HA -0.284 3.847 4.120 0.018 0.000 0.246 606 V C 1.930 178.051 176.094 0.044 0.000 1.049 606 V CA 1.931 64.251 62.300 0.034 0.000 1.003 606 V CB -0.290 31.547 31.823 0.024 0.000 0.634 606 V HN 0.405 nan 8.190 nan 0.000 0.444 607 E N 0.061 120.282 120.200 0.034 0.000 2.070 607 E HA -0.287 4.074 4.350 0.018 0.000 0.197 607 E C 2.314 178.942 176.600 0.046 0.000 1.004 607 E CA 1.712 58.133 56.400 0.036 0.000 0.805 607 E CB -0.470 29.245 29.700 0.024 0.000 0.744 607 E HN 0.419 nan 8.360 nan 0.000 0.451 608 R N 1.279 121.806 120.500 0.044 0.000 2.091 608 R HA -0.131 4.220 4.340 0.018 0.000 0.238 608 R C 2.318 178.670 176.300 0.086 0.000 1.136 608 R CA 0.963 57.095 56.100 0.052 0.000 0.959 608 R CB -0.923 29.403 30.300 0.042 0.000 0.856 608 R HN 0.201 nan 8.270 nan 0.000 0.437 609 L N 0.711 121.994 121.223 0.100 0.000 2.046 609 L HA -0.091 4.260 4.340 0.018 0.000 0.208 609 L C 1.944 178.917 176.870 0.173 0.000 1.077 609 L CA 1.958 56.892 54.840 0.156 0.000 0.747 609 L CB -0.742 41.407 42.059 0.150 0.000 0.896 609 L HN 0.112 nan 8.230 nan 0.000 0.432 610 K N -0.450 120.025 120.400 0.125 0.000 2.034 610 K HA -0.232 4.098 4.320 0.018 0.000 0.214 610 K C 2.094 178.771 176.600 0.129 0.000 1.051 610 K CA 2.082 58.439 56.287 0.116 0.000 0.931 610 K CB -0.317 32.228 32.500 0.075 0.000 0.715 610 K HN 0.542 nan 8.250 nan 0.000 0.446 611 Q N -0.430 119.436 119.800 0.109 0.000 1.956 611 Q HA -0.191 4.160 4.340 0.018 0.000 0.208 611 Q C 2.045 178.140 176.000 0.158 0.000 0.998 611 Q CA 2.114 57.980 55.803 0.105 0.000 0.855 611 Q CB -0.532 28.245 28.738 0.065 0.000 0.928 611 Q HN 0.116 nan 8.270 nan 0.000 0.418 612 V N 1.418 121.428 119.914 0.160 0.000 2.317 612 V HA -0.300 3.831 4.120 0.018 0.000 0.251 612 V C 2.288 178.558 176.094 0.295 0.000 1.065 612 V CA 1.845 64.275 62.300 0.216 0.000 1.049 612 V CB -0.676 31.254 31.823 0.179 0.000 0.651 612 V HN 0.334 nan 8.190 nan 0.000 0.450 613 L N -1.162 120.233 121.223 0.285 0.000 2.095 613 L HA -0.082 4.268 4.340 0.018 0.000 0.204 613 L C 2.373 179.368 176.870 0.208 0.000 1.080 613 L CA 1.206 56.226 54.840 0.301 0.000 0.759 613 L CB -0.405 41.877 42.059 0.372 0.000 0.914 613 L HN 0.296 nan 8.230 nan 0.000 0.439 614 L N -0.864 120.464 121.223 0.176 0.000 2.131 614 L HA -0.252 4.099 4.340 0.018 0.000 0.210 614 L C 2.662 179.604 176.870 0.120 0.000 1.092 614 L CA 1.096 56.011 54.840 0.125 0.000 0.759 614 L CB -0.784 41.335 42.059 0.101 0.000 0.903 614 L HN 0.456 nan 8.230 nan 0.000 0.435 615 H N 0.095 119.206 119.070 0.068 0.000 2.294 615 H HA -0.112 4.455 4.556 0.018 0.000 0.306 615 H C 2.085 177.440 175.328 0.044 0.000 1.065 615 H CA 1.115 57.190 56.048 0.044 0.000 1.343 615 H CB 0.235 30.030 29.762 0.054 0.000 1.396 615 H HN 0.259 nan 8.280 nan 0.000 0.506 616 Q N 0.716 120.535 119.800 0.032 0.000 2.173 616 Q HA -0.227 4.124 4.340 0.018 0.000 0.208 616 Q C 2.351 178.284 176.000 -0.112 0.000 0.989 616 Q CA 2.035 57.872 55.803 0.056 0.000 0.872 616 Q CB -0.452 28.548 28.738 0.437 0.000 0.909 616 Q HN 0.802 nan 8.270 nan 0.000 0.420 617 Q N -0.717 119.019 119.800 -0.106 0.000 2.297 617 Q HA 0.094 4.445 4.340 0.018 0.000 0.204 617 Q C 1.876 177.758 176.000 -0.195 0.000 0.962 617 Q CA 1.082 56.775 55.803 -0.185 0.000 0.879 617 Q CB -0.239 28.467 28.738 -0.053 0.000 0.947 617 Q HN 0.247 nan 8.270 nan 0.000 0.462 618 A N 1.678 124.376 122.820 -0.202 0.000 1.969 618 A HA -0.138 4.193 4.320 0.018 0.000 0.218 618 A C 1.893 179.291 177.584 -0.311 0.000 1.169 618 A CA 1.488 53.402 52.037 -0.205 0.000 0.635 618 A CB -0.123 18.755 19.000 -0.202 0.000 0.810 618 A HN 0.333 nan 8.150 nan 0.000 0.445 619 K N -1.970 118.131 120.400 -0.498 0.000 2.190 619 K HA 0.171 4.502 4.320 0.018 0.000 0.202 619 K C 0.701 176.770 176.600 -0.884 0.000 1.045 619 K CA 0.885 56.692 56.287 -0.800 0.000 0.976 619 K CB 0.026 31.806 32.500 -1.200 0.000 0.849 619 K HN 0.452 nan 8.250 nan 0.000 0.468 620 F N 1.060 120.880 119.950 -0.218 0.000 2.678 620 F HA 0.261 4.799 4.527 0.018 0.000 0.305 620 F C 1.326 176.797 175.800 -0.548 0.000 1.090 620 F CA -0.777 57.032 58.000 -0.318 0.000 1.272 620 F CB -0.234 38.659 39.000 -0.178 0.000 1.060 620 F HN -0.076 nan 8.300 nan 0.000 0.576 621 G N 0.232 108.803 108.800 -0.382 0.000 2.683 621 G HA2 0.021 3.992 3.960 0.018 0.000 0.260 621 G HA3 0.021 3.992 3.960 0.018 0.000 0.260 621 G C 1.271 176.068 174.900 -0.171 0.000 1.238 621 G CA -0.302 44.573 45.100 -0.376 0.000 0.934 621 G HN 0.047 nan 8.290 nan 0.000 0.534 622 R N 0.004 120.526 120.500 0.036 0.000 2.096 622 R HA -0.119 4.232 4.340 0.018 0.000 0.240 622 R C 0.976 177.267 176.300 -0.016 0.000 1.139 622 R CA 1.888 58.019 56.100 0.051 0.000 0.952 622 R CB -0.737 29.623 30.300 0.100 0.000 0.854 622 R HN 0.623 nan 8.270 nan 0.000 0.436 623 N N -0.274 118.413 118.700 -0.022 0.000 2.599 623 N HA 0.247 4.998 4.740 0.018 0.000 0.309 623 N C -1.143 174.329 175.510 -0.063 0.000 1.743 623 N CA -0.089 52.938 53.050 -0.039 0.000 0.918 623 N CB 0.852 39.323 38.487 -0.026 0.000 1.339 623 N HN 0.240 nan 8.380 nan 0.000 0.493 624 G N -0.989 107.754 108.800 -0.095 0.000 2.420 624 G HA2 0.254 4.225 3.960 0.018 0.000 0.331 624 G HA3 0.254 4.225 3.960 0.018 0.000 0.331 624 G C 0.787 175.599 174.900 -0.148 0.000 1.168 624 G CA -0.346 44.667 45.100 -0.144 0.000 0.936 624 G HN 0.208 nan 8.290 nan 0.000 0.479 625 S N 1.637 117.236 115.700 -0.168 0.000 2.380 625 S HA -0.333 4.148 4.470 0.018 0.000 0.290 625 S C 1.582 176.106 174.600 -0.127 0.000 1.080 625 S CA 2.755 60.862 58.200 -0.155 0.000 1.468 625 S CB -0.776 62.300 63.200 -0.207 0.000 1.303 625 S HN 0.589 nan 8.310 nan 0.000 0.457 626 D N 0.349 120.644 120.400 -0.176 0.000 2.358 626 D HA 0.162 4.813 4.640 0.018 0.000 0.241 626 D C 0.137 176.498 176.300 0.102 0.000 1.094 626 D CA 0.497 54.497 54.000 -0.001 0.000 0.907 626 D CB -0.380 40.475 40.800 0.093 0.000 0.893 626 D HN 0.420 nan 8.370 nan 0.000 0.528 627 c N 2.187 120.791 118.600 0.006 0.000 2.301 627 c HA 0.501 5.082 4.570 0.018 0.000 0.323 627 c C -2.250 171.823 174.090 -0.028 0.000 1.265 627 c CA -1.675 54.652 56.329 -0.003 0.000 1.503 627 c CB 0.696 43.168 42.510 -0.065 0.000 2.195 627 c HN 0.145 nan 8.230 nan 0.000 0.477 628 P HA 0.303 nan 4.420 nan 0.000 0.253 628 P C 0.117 177.434 177.300 0.027 0.000 1.872 628 P CA 0.113 63.214 63.100 0.002 0.000 1.148 628 P CB 0.550 32.238 31.700 -0.020 0.000 1.753 629 D N 0.614 121.040 120.400 0.044 0.000 2.110 629 D HA -0.035 4.616 4.640 0.018 0.000 0.202 629 D C 1.675 178.024 176.300 0.082 0.000 0.975 629 D CA 1.244 55.273 54.000 0.049 0.000 0.839 629 D CB 0.482 41.304 40.800 0.037 0.000 0.996 629 D HN 0.240 nan 8.370 nan 0.000 0.464 630 K N -1.107 119.376 120.400 0.138 0.000 2.056 630 K HA 0.097 4.427 4.320 0.018 0.000 0.205 630 K C 0.253 177.016 176.600 0.270 0.000 1.035 630 K CA 0.288 56.703 56.287 0.212 0.000 0.955 630 K CB 0.753 33.431 32.500 0.296 0.000 0.769 630 K HN 0.043 nan 8.250 nan 0.000 0.447 631 F N -0.173 119.851 119.950 0.123 0.000 2.669 631 F HA 0.237 4.775 4.527 0.018 0.000 0.315 631 F C -1.887 173.908 175.800 -0.008 0.000 1.109 631 F CA -1.225 56.735 58.000 -0.067 0.000 1.028 631 F CB 0.992 39.735 39.000 -0.429 0.000 1.287 631 F HN -0.089 nan 8.300 nan 0.000 0.452 632 c N 6.779 124.890 118.600 -0.815 0.000 2.281 632 c HA 0.407 4.988 4.570 0.018 0.000 0.325 632 c C 1.290 174.627 174.090 -1.255 0.000 1.282 632 c CA -0.616 55.270 56.329 -0.740 0.000 1.640 632 c CB 0.511 42.795 42.510 -0.377 0.000 2.288 632 c HN 0.959 nan 8.230 nan 0.000 0.507 633 L N 2.916 123.461 121.223 -1.129 0.000 2.027 633 L HA 0.119 4.470 4.340 0.018 0.000 0.206 633 L C 1.301 177.667 176.870 -0.839 0.000 1.074 633 L CA 2.102 56.185 54.840 -1.261 0.000 0.745 633 L CB -0.519 40.654 42.059 -1.477 0.000 0.898 633 L HN 0.645 nan 8.230 nan 0.000 0.433 634 F N -0.095 119.604 119.950 -0.418 0.000 2.843 634 F HA 0.431 4.969 4.527 0.018 0.000 0.290 634 F C 0.327 176.036 175.800 -0.152 0.000 1.221 634 F CA -0.358 57.502 58.000 -0.233 0.000 1.413 634 F CB -0.929 37.934 39.000 -0.229 0.000 1.019 634 F HN 0.139 nan 8.300 nan 0.000 0.512 635 Q N -0.752 119.004 119.800 -0.074 0.000 2.263 635 Q HA 0.475 4.826 4.340 0.018 0.000 0.262 635 Q C 0.211 176.180 176.000 -0.051 0.000 0.984 635 Q CA -0.202 55.567 55.803 -0.057 0.000 0.813 635 Q CB 1.958 30.625 28.738 -0.120 0.000 1.299 635 Q HN 0.132 nan 8.270 nan 0.000 0.428 636 S N 1.423 117.133 115.700 0.016 0.000 2.727 636 S HA 0.434 4.915 4.470 0.018 0.000 0.249 636 S C -0.293 174.339 174.600 0.054 0.000 1.079 636 S CA 0.182 58.414 58.200 0.053 0.000 0.912 636 S CB 0.609 63.869 63.200 0.100 0.000 0.861 636 S HN 0.911 nan 8.310 nan 0.000 0.484 637 E N 1.340 121.567 120.200 0.045 0.000 6.582 637 E HA 0.033 4.394 4.350 0.018 0.000 0.193 637 E C 0.628 177.270 176.600 0.070 0.000 1.234 637 E CA 0.715 57.139 56.400 0.039 0.000 1.476 637 E CB -2.879 26.835 29.700 0.024 0.000 0.955 637 E HN 1.649 nan 8.360 nan 0.000 0.300 638 T N -2.055 112.541 114.554 0.071 0.000 7.714 638 T HA -0.364 3.997 4.350 0.018 0.000 0.312 638 T C 1.224 176.021 174.700 0.162 0.000 1.937 638 T CA 2.216 64.378 62.100 0.104 0.000 2.886 638 T CB -1.483 67.453 68.868 0.113 0.000 2.426 638 T HN 1.385 nan 8.240 nan 0.000 1.226 639 K N 1.294 121.786 120.400 0.153 0.000 2.356 639 K HA 0.154 4.485 4.320 0.018 0.000 0.195 639 K C 0.920 177.636 176.600 0.192 0.000 1.037 639 K CA 0.347 56.742 56.287 0.180 0.000 1.014 639 K CB -0.074 32.518 32.500 0.153 0.000 0.815 639 K HN 0.654 nan 8.250 nan 0.000 0.507 640 N N 1.682 120.486 118.700 0.173 0.000 2.714 640 N HA -0.186 4.565 4.740 0.018 0.000 0.252 640 N C -0.795 174.841 175.510 0.211 0.000 1.014 640 N CA 0.430 53.597 53.050 0.194 0.000 0.735 640 N CB -0.954 37.669 38.487 0.227 0.000 0.924 640 N HN 0.059 nan 8.380 nan 0.000 0.540 641 L N 0.759 122.092 121.223 0.182 0.000 2.456 641 L HA 0.105 4.456 4.340 0.018 0.000 0.272 641 L C 2.001 178.977 176.870 0.176 0.000 1.189 641 L CA 0.523 55.463 54.840 0.168 0.000 0.846 641 L CB -0.021 42.124 42.059 0.142 0.000 1.111 641 L HN 0.337 nan 8.230 nan 0.000 0.475 642 L N 0.594 121.893 121.223 0.125 0.000 5.493 642 L HA -0.363 3.988 4.340 0.018 0.000 0.430 642 L C -0.078 176.641 176.870 -0.252 0.000 0.895 642 L CA 1.623 56.450 54.840 -0.022 0.000 1.491 642 L CB -1.338 40.674 42.059 -0.079 0.000 1.234 642 L HN 0.442 nan 8.230 nan 0.000 0.622 643 F N -1.521 118.588 119.950 0.265 0.000 2.650 643 F HA 0.471 5.009 4.527 0.018 0.000 0.320 643 F C 0.476 176.402 175.800 0.211 0.000 1.091 643 F CA -1.052 57.116 58.000 0.279 0.000 0.962 643 F CB 0.706 39.900 39.000 0.324 0.000 1.363 643 F HN -0.187 nan 8.300 nan 0.000 0.482 644 N N 1.207 120.132 118.700 0.375 0.000 2.514 644 N HA 0.064 4.814 4.740 0.018 0.000 0.277 644 N C -0.061 175.540 175.510 0.151 0.000 1.126 644 N CA -0.140 53.022 53.050 0.186 0.000 0.978 644 N CB 1.192 39.676 38.487 -0.005 0.000 1.106 644 N HN 0.601 nan 8.380 nan 0.000 0.461 645 D N 0.578 121.042 120.400 0.108 0.000 2.311 645 D HA -0.142 4.509 4.640 0.018 0.000 0.212 645 D C 1.158 177.470 176.300 0.019 0.000 0.972 645 D CA 1.137 55.182 54.000 0.075 0.000 0.887 645 D CB 0.014 40.843 40.800 0.047 0.000 0.915 645 D HN 0.606 nan 8.370 nan 0.000 0.497 646 N N 0.008 118.690 118.700 -0.029 0.000 2.230 646 N HA -0.059 4.692 4.740 0.018 0.000 0.202 646 N C -0.366 175.155 175.510 0.017 0.000 1.119 646 N CA -0.006 53.013 53.050 -0.051 0.000 0.851 646 N CB -0.244 38.156 38.487 -0.146 0.000 0.990 646 N HN -0.213 nan 8.380 nan 0.000 0.497 647 T N 1.110 115.636 114.554 -0.046 0.000 2.817 647 T HA -0.012 4.348 4.350 0.018 0.000 0.295 647 T C 1.100 175.585 174.700 -0.359 0.000 0.958 647 T CA -0.138 61.796 62.100 -0.277 0.000 1.157 647 T CB 1.916 70.229 68.868 -0.925 0.000 0.898 647 T HN 0.292 nan 8.240 nan 0.000 0.536 648 E N 1.309 121.358 120.200 -0.252 0.000 2.076 648 E HA -0.037 4.324 4.350 0.018 0.000 0.190 648 E C 0.944 177.408 176.600 -0.227 0.000 0.979 648 E CA 0.859 57.165 56.400 -0.157 0.000 0.807 648 E CB 0.243 29.888 29.700 -0.092 0.000 0.761 648 E HN 0.913 nan 8.360 nan 0.000 0.454 649 c N -2.411 115.956 118.600 -0.388 0.000 3.255 649 c HA 0.527 5.108 4.570 0.018 0.000 0.370 649 c C -1.418 172.438 174.090 -0.390 0.000 1.823 649 c CA -1.298 54.835 56.329 -0.326 0.000 1.131 649 c CB 0.223 42.678 42.510 -0.090 0.000 2.141 649 c HN 0.110 nan 8.230 nan 0.000 0.419 650 L N 2.092 123.228 121.223 -0.144 0.000 2.318 650 L HA 0.685 5.036 4.340 0.018 0.000 0.277 650 L C 0.391 177.256 176.870 -0.009 0.000 1.008 650 L CA -0.128 54.682 54.840 -0.050 0.000 0.846 650 L CB 1.063 43.172 42.059 0.084 0.000 1.220 650 L HN 1.027 nan 8.230 nan 0.000 0.423 651 A N 4.143 126.951 122.820 -0.020 0.000 2.320 651 A HA 0.688 5.019 4.320 0.018 0.000 0.334 651 A C 0.048 177.634 177.584 0.005 0.000 1.147 651 A CA -0.704 51.336 52.037 0.005 0.000 0.820 651 A CB 0.871 19.878 19.000 0.012 0.000 1.218 651 A HN 0.728 nan 8.150 nan 0.000 0.482 652 R N 0.640 121.110 120.500 -0.050 0.000 2.758 652 R HA 0.031 4.382 4.340 0.018 0.000 0.263 652 R C 0.569 176.725 176.300 -0.240 0.000 1.010 652 R CA -0.060 55.931 56.100 -0.182 0.000 1.114 652 R CB 0.193 30.338 30.300 -0.257 0.000 0.985 652 R HN 0.721 nan 8.270 nan 0.000 0.439 653 L N 1.475 122.589 121.223 -0.181 0.000 2.179 653 L HA -0.089 4.262 4.340 0.018 0.000 0.208 653 L C 0.304 177.199 176.870 0.042 0.000 1.096 653 L CA 0.608 55.438 54.840 -0.016 0.000 0.779 653 L CB -0.307 41.785 42.059 0.055 0.000 0.922 653 L HN 0.778 nan 8.230 nan 0.000 0.443 654 H N -1.116 117.996 119.070 0.069 0.000 2.941 654 H HA -0.149 4.417 4.556 0.018 0.000 0.279 654 H C 1.389 176.749 175.328 0.054 0.000 1.247 654 H CA 0.652 56.731 56.048 0.052 0.000 1.129 654 H CB -1.763 28.024 29.762 0.043 0.000 1.313 654 H HN 0.553 nan 8.280 nan 0.000 0.384 655 G N -0.141 108.720 108.800 0.102 0.000 2.205 655 G HA2 -0.326 3.644 3.960 0.018 0.000 0.261 655 G HA3 -0.326 3.644 3.960 0.018 0.000 0.261 655 G C 0.443 175.398 174.900 0.093 0.000 0.980 655 G CA 0.422 45.572 45.100 0.083 0.000 0.632 655 G HN 0.316 nan 8.290 nan 0.000 0.533 656 K N 2.076 122.558 120.400 0.137 0.000 2.111 656 K HA 0.315 4.646 4.320 0.018 0.000 0.249 656 K C 0.807 177.518 176.600 0.186 0.000 1.157 656 K CA 0.855 57.245 56.287 0.172 0.000 1.048 656 K CB 0.054 32.708 32.500 0.256 0.000 1.498 656 K HN 0.568 nan 8.250 nan 0.000 0.344 657 T N -2.264 112.356 114.554 0.110 0.000 3.415 657 T HA 0.095 4.456 4.350 0.018 0.000 0.282 657 T C 0.186 174.926 174.700 0.067 0.000 1.007 657 T CA -0.608 61.537 62.100 0.075 0.000 0.958 657 T CB 0.240 69.136 68.868 0.047 0.000 1.171 657 T HN 0.215 nan 8.240 nan 0.000 0.500 658 T N 0.588 115.196 114.554 0.089 0.000 2.952 658 T HA 0.375 4.735 4.350 0.018 0.000 0.305 658 T C 0.791 175.563 174.700 0.121 0.000 1.064 658 T CA -0.783 61.368 62.100 0.086 0.000 1.008 658 T CB 0.966 69.846 68.868 0.019 0.000 1.078 658 T HN 0.316 nan 8.240 nan 0.000 0.459 659 Y N 3.233 123.574 120.300 0.068 0.000 2.283 659 Y HA -0.123 4.436 4.550 0.015 0.000 0.285 659 Y C 1.573 177.572 175.900 0.165 0.000 1.176 659 Y CA 1.962 60.133 58.100 0.117 0.000 1.229 659 Y CB -0.584 37.900 38.460 0.040 0.000 0.975 659 Y HN 0.748 nan 8.280 nan 0.000 0.537 660 E N 0.666 120.520 120.200 -0.577 0.000 2.086 660 E HA -0.067 4.294 4.350 0.018 0.000 0.190 660 E C 2.054 178.577 176.600 -0.128 0.000 0.975 660 E CA 0.876 56.989 56.400 -0.479 0.000 0.813 660 E CB -0.054 29.303 29.700 -0.572 0.000 0.768 660 E HN 0.504 nan 8.360 nan 0.000 0.457 661 K N 0.295 120.662 120.400 -0.055 0.000 2.026 661 K HA -0.176 4.155 4.320 0.018 0.000 0.208 661 K C 2.136 178.780 176.600 0.073 0.000 1.048 661 K CA 1.280 57.577 56.287 0.017 0.000 0.929 661 K CB -0.283 32.245 32.500 0.047 0.000 0.713 661 K HN 0.098 nan 8.250 nan 0.000 0.439 662 Y N 1.781 122.092 120.300 0.018 0.000 2.097 662 Y HA -0.228 4.332 4.550 0.017 0.000 0.282 662 Y C 1.868 177.812 175.900 0.073 0.000 1.152 662 Y CA 1.559 59.695 58.100 0.059 0.000 1.136 662 Y CB -0.161 38.353 38.460 0.091 0.000 0.975 662 Y HN -0.057 nan 8.280 nan 0.000 0.498 663 L N -0.838 120.463 121.223 0.129 0.000 2.095 663 L HA 0.158 4.509 4.340 0.018 0.000 0.204 663 L C 0.999 177.918 176.870 0.081 0.000 1.080 663 L CA 0.699 55.617 54.840 0.131 0.000 0.759 663 L CB -0.889 41.424 42.059 0.422 0.000 0.914 663 L HN 0.456 nan 8.230 nan 0.000 0.439 664 G N -1.098 107.742 108.800 0.066 0.000 2.770 664 G HA2 -0.112 3.859 3.960 0.018 0.000 0.686 664 G HA3 -0.112 3.859 3.960 0.018 0.000 0.686 664 G C -2.228 172.717 174.900 0.076 0.000 1.180 664 G CA -0.449 44.679 45.100 0.047 0.000 0.767 664 G HN -0.087 nan 8.290 nan 0.000 0.646 665 P HA -0.244 nan 4.420 nan 0.000 0.218 665 P C 1.613 178.949 177.300 0.060 0.000 1.154 665 P CA 1.923 65.046 63.100 0.037 0.000 0.872 665 P CB 0.236 31.949 31.700 0.021 0.000 0.790 666 Q N -1.112 118.731 119.800 0.071 0.000 1.965 666 Q HA -0.180 4.171 4.340 0.018 0.000 0.200 666 Q C 2.370 178.437 176.000 0.111 0.000 0.981 666 Q CA 1.536 57.387 55.803 0.080 0.000 0.834 666 Q CB -1.401 27.383 28.738 0.077 0.000 0.900 666 Q HN 0.125 nan 8.270 nan 0.000 0.426 667 Y N -0.205 120.106 120.300 0.018 0.000 2.165 667 Y HA -0.205 4.357 4.550 0.020 0.000 0.286 667 Y C 1.988 177.933 175.900 0.075 0.000 1.155 667 Y CA 1.546 59.663 58.100 0.029 0.000 1.164 667 Y CB -0.340 38.135 38.460 0.025 0.000 0.978 667 Y HN 0.012 nan 8.280 nan 0.000 0.513 668 V N 0.202 120.207 119.914 0.152 0.000 2.295 668 V HA -0.347 3.784 4.120 0.018 0.000 0.246 668 V C 2.693 178.843 176.094 0.092 0.000 1.049 668 V CA 1.788 64.197 62.300 0.180 0.000 1.024 668 V CB -1.754 30.197 31.823 0.214 0.000 0.648 668 V HN 0.526 nan 8.190 nan 0.000 0.447 669 A N 0.795 123.651 122.820 0.059 0.000 1.892 669 A HA -0.201 4.130 4.320 0.018 0.000 0.218 669 A C 2.452 180.025 177.584 -0.019 0.000 1.188 669 A CA 2.402 54.462 52.037 0.039 0.000 0.631 669 A CB -1.461 17.564 19.000 0.041 0.000 0.822 669 A HN 0.549 nan 8.150 nan 0.000 0.447 670 G N -0.173 108.581 108.800 -0.076 0.000 2.459 670 G HA2 -0.227 3.743 3.960 0.018 0.000 0.217 670 G HA3 -0.227 3.743 3.960 0.018 0.000 0.217 670 G C 1.543 176.283 174.900 -0.267 0.000 1.183 670 G CA 1.210 46.222 45.100 -0.147 0.000 0.776 670 G HN 0.490 nan 8.290 nan 0.000 0.552 671 I N 0.856 121.162 120.570 -0.439 0.000 2.208 671 I HA -0.197 3.984 4.170 0.018 0.000 0.245 671 I C 3.042 178.894 176.117 -0.441 0.000 1.097 671 I CA 1.555 62.491 61.300 -0.606 0.000 1.363 671 I CB -0.580 36.795 38.000 -1.041 0.000 1.051 671 I HN 0.124 nan 8.210 nan 0.000 0.413 672 T N 0.581 114.980 114.554 -0.258 0.000 2.570 672 T HA -0.259 4.102 4.350 0.018 0.000 0.266 672 T C 1.768 176.430 174.700 -0.063 0.000 1.071 672 T CA 1.933 64.000 62.100 -0.054 0.000 1.172 672 T CB -0.595 68.328 68.868 0.092 0.000 0.864 672 T HN 0.376 nan 8.240 nan 0.000 0.421 673 N N 0.853 119.523 118.700 -0.051 0.000 2.069 673 N HA -0.116 4.635 4.740 0.018 0.000 0.196 673 N C 1.937 177.355 175.510 -0.154 0.000 1.024 673 N CA 1.308 54.340 53.050 -0.030 0.000 0.869 673 N CB -0.356 38.154 38.487 0.039 0.000 1.035 673 N HN 0.340 nan 8.380 nan 0.000 0.434 674 L N 1.179 122.243 121.223 -0.266 0.000 2.093 674 L HA -0.094 4.257 4.340 0.018 0.000 0.208 674 L C 2.137 178.951 176.870 -0.094 0.000 1.085 674 L CA 0.875 55.539 54.840 -0.294 0.000 0.755 674 L CB -0.262 41.600 42.059 -0.328 0.000 0.904 674 L HN 0.036 nan 8.230 nan 0.000 0.435 675 K N 0.259 120.585 120.400 -0.124 0.000 2.360 675 K HA -0.109 4.222 4.320 0.018 0.000 0.201 675 K C 1.868 178.471 176.600 0.004 0.000 1.046 675 K CA 0.690 56.944 56.287 -0.055 0.000 0.945 675 K CB -0.135 32.321 32.500 -0.074 0.000 0.750 675 K HN 0.254 nan 8.250 nan 0.000 0.464 676 K N 0.314 120.716 120.400 0.004 0.000 2.147 676 K HA -0.087 4.244 4.320 0.018 0.000 0.205 676 K C 2.056 178.684 176.600 0.046 0.000 1.049 676 K CA 0.876 57.186 56.287 0.039 0.000 0.936 676 K CB -0.433 32.105 32.500 0.063 0.000 0.722 676 K HN 0.149 nan 8.250 nan 0.000 0.446 677 c N 1.149 119.772 118.600 0.038 0.000 2.437 677 c HA 0.008 4.588 4.570 0.018 0.000 0.283 677 c C 1.010 175.106 174.090 0.010 0.000 1.424 677 c CA 0.351 56.682 56.329 0.004 0.000 1.782 677 c CB -1.137 41.310 42.510 -0.105 0.000 1.833 677 c HN 0.530 nan 8.230 nan 0.000 0.532 678 S N -2.661 113.063 115.700 0.039 0.000 2.785 678 S HA 0.308 4.789 4.470 0.018 0.000 0.286 678 S C -1.095 173.527 174.600 0.037 0.000 0.918 678 S CA -0.404 57.818 58.200 0.037 0.000 0.866 678 S CB 0.560 63.787 63.200 0.045 0.000 1.087 678 S HN 0.189 nan 8.310 nan 0.000 0.472 679 T N 1.230 115.801 114.554 0.029 0.000 2.924 679 T HA 0.812 5.173 4.350 0.018 0.000 0.291 679 T C 0.137 174.848 174.700 0.018 0.000 1.045 679 T CA 0.150 62.266 62.100 0.027 0.000 1.015 679 T CB 1.454 70.347 68.868 0.041 0.000 1.103 679 T HN 1.644 nan 8.240 nan 0.000 0.496 680 S N 3.423 119.134 115.700 0.018 0.000 2.585 680 S HA 0.314 4.794 4.470 0.018 0.000 0.273 680 S C -1.765 172.841 174.600 0.011 0.000 1.339 680 S CA -0.979 57.228 58.200 0.011 0.000 1.028 680 S CB 0.669 63.877 63.200 0.014 0.000 0.906 680 S HN 0.589 nan 8.310 nan 0.000 0.528 681 P HA -0.097 nan 4.420 nan 0.000 0.218 681 P C 1.456 178.752 177.300 -0.006 0.000 1.148 681 P CA 0.501 63.596 63.100 -0.010 0.000 0.822 681 P CB -0.029 31.660 31.700 -0.019 0.000 0.784 682 L N -1.193 120.031 121.223 0.001 0.000 2.072 682 L HA -0.043 4.308 4.340 0.018 0.000 0.205 682 L C 2.336 179.215 176.870 0.015 0.000 1.079 682 L CA 1.604 56.447 54.840 0.005 0.000 0.752 682 L CB -1.109 40.956 42.059 0.010 0.000 0.906 682 L HN -0.175 nan 8.230 nan 0.000 0.436 683 L N -0.860 120.379 121.223 0.027 0.000 2.179 683 L HA -0.121 4.230 4.340 0.018 0.000 0.208 683 L C 2.498 179.390 176.870 0.037 0.000 1.096 683 L CA 1.064 55.925 54.840 0.035 0.000 0.779 683 L CB -0.427 41.670 42.059 0.064 0.000 0.922 683 L HN 0.383 nan 8.230 nan 0.000 0.443 684 E N 0.394 120.614 120.200 0.033 0.000 2.047 684 E HA -0.235 4.126 4.350 0.018 0.000 0.191 684 E C 2.248 178.884 176.600 0.059 0.000 0.987 684 E CA 1.131 57.555 56.400 0.039 0.000 0.799 684 E CB 0.036 29.747 29.700 0.018 0.000 0.752 684 E HN 0.454 nan 8.360 nan 0.000 0.449 685 A N 0.599 123.441 122.820 0.036 0.000 1.865 685 A HA -0.235 4.095 4.320 0.018 0.000 0.217 685 A C 2.482 180.132 177.584 0.110 0.000 1.191 685 A CA 1.647 53.714 52.037 0.051 0.000 0.623 685 A CB -1.045 17.960 19.000 0.008 0.000 0.826 685 A HN 0.523 nan 8.150 nan 0.000 0.444 686 c N -1.140 117.494 118.600 0.057 0.000 2.419 686 c HA -0.024 4.557 4.570 0.018 0.000 0.281 686 c C 2.648 176.762 174.090 0.040 0.000 1.336 686 c CA 1.240 57.590 56.329 0.035 0.000 1.770 686 c CB -1.116 41.386 42.510 -0.014 0.000 1.929 686 c HN 0.736 nan 8.230 nan 0.000 0.509 687 E N 0.634 120.870 120.200 0.061 0.000 2.051 687 E HA -0.178 4.183 4.350 0.018 0.000 0.192 687 E C 1.746 178.382 176.600 0.060 0.000 0.991 687 E CA 1.216 57.646 56.400 0.049 0.000 0.799 687 E CB -0.489 29.251 29.700 0.067 0.000 0.748 687 E HN 0.628 nan 8.360 nan 0.000 0.449 688 F N 0.452 120.390 119.950 -0.021 0.000 2.134 688 F HA -0.096 4.442 4.527 0.019 0.000 0.299 688 F C 1.628 177.406 175.800 -0.036 0.000 1.097 688 F CA 1.384 59.371 58.000 -0.020 0.000 1.264 688 F CB -0.052 38.940 39.000 -0.014 0.000 1.001 688 F HN 0.016 nan 8.300 nan 0.000 0.479 689 L N -0.336 120.946 121.223 0.099 0.000 2.492 689 L HA -0.007 4.344 4.340 0.018 0.000 0.223 689 L C 2.302 179.093 176.870 -0.131 0.000 1.132 689 L CA -0.040 54.764 54.840 -0.061 0.000 0.850 689 L CB -0.578 41.504 42.059 0.039 0.000 0.966 689 L HN 0.006 nan 8.230 nan 0.000 0.454 690 R N 1.567 122.007 120.500 -0.100 0.000 2.052 690 R HA 0.004 4.355 4.340 0.018 0.000 0.224 690 R C 1.065 177.302 176.300 -0.105 0.000 1.165 690 R CA 0.657 56.706 56.100 -0.085 0.000 0.939 690 R CB -0.706 29.562 30.300 -0.053 0.000 0.834 690 R HN 0.417 nan 8.270 nan 0.000 0.435 691 K N 0.000 120.333 120.400 -0.111 0.000 2.780 691 K HA 0.000 4.331 4.320 0.018 0.000 0.191 691 K CA 0.000 56.228 56.287 -0.098 0.000 0.838 691 K CB 0.000 32.437 32.500 -0.105 0.000 1.064 691 K HN 0.000 nan 8.250 nan 0.000 0.543