REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3iyu_1_X DATA FIRST_RESID 1 DATA SEQUENCE MASLIYRQLL TNSYTVDLSD EIQEIGSTKT QNVTINLGPF AQTGYAPVXX DATA SEQUENCE XXXXXXXXXX XXXXLDGPYQ PTTFNPPVDY WMLLAPTAAG VVVEGTNNTD DATA SEQUENCE RWLATILVEP NVTSETRSYT LFGTQEQITI ANASQTQWKF IDVVKTTQNG DATA SEQUENCE SYSQYGPLQS TPKLYAVMKH NGKIYTYNGE TPNVTTKYYS TTNYDSVNMT DATA SEQUENCE AFCDFYIIPR EEESTCTEYI NNGLXXXXXX XXXXXXXXXX XXXXXXXXXA DATA SEQUENCE NEDIVVSKTS LWKEMQYNRD ITIRFKFASS IVKSGGLGYK WSEISFKPAN DATA SEQUENCE YQYTYTRDGE EVTAHTTCSV NGMNDFNFNG GSLPTDFVIS RYEVIKENSY DATA SEQUENCE VYVDYWDDSQ AFRNMVYVRS LAANLNSVIC TGGDYSFALP VGQWPVMTGG DATA SEQUENCE AVSLHSAGVT LSTQFTDFVS LNSLRFRFRL TVEEPSFSIT RTRVSRLYGL DATA SEQUENCE PAANPNNGKE YYEVAGRFSL ISLVPSNDDY QTPITNSVTV RQDLERQLGE DATA SEQUENCE LREEFNALSQ EIAMSQLIDL ALLPLDMFSM FSGIKSTIDA AKSMATSVMK DATA SEQUENCE KFKKSGLANS VSTLTDSLSD AASSISRGAS IRSVGSSASA WTDVSTQITD DATA SEQUENCE VSSSVSSIST QTSTISRRLR LKEMATQTEG MNFDDISAAV LKTKIDRSTQ DATA SEQUENCE ISPNTLPDIV TEASEKFIPN RAYRVINNDE VFEAGTDGRF FAYRVETFDE DATA SEQUENCE IPFDVQKFAD LVTDSPVISA IIDFKTLKNL NDNYGISRQQ AFNLLRSDPR DATA SEQUENCE VLREFINQDN PIIRNRIEQL IMQCRL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.332 176.300 0.053 0.000 1.140 1 M CA 0.000 55.324 55.300 0.040 0.000 0.988 1 M CB 0.000 32.616 32.600 0.027 0.000 1.302 2 A N 0.886 123.726 122.820 0.033 0.000 1.927 2 A HA -0.171 4.149 4.320 0.000 0.000 0.220 2 A C 2.328 179.941 177.584 0.048 0.000 1.185 2 A CA 3.548 55.601 52.037 0.027 0.000 0.639 2 A CB -1.124 17.822 19.000 -0.090 0.000 0.820 2 A HN 0.688 nan 8.150 nan 0.000 0.451 3 S N -0.489 115.229 115.700 0.031 0.000 2.393 3 S HA -0.244 4.226 4.470 0.000 0.000 0.235 3 S C 1.807 176.477 174.600 0.116 0.000 1.061 3 S CA 1.902 60.143 58.200 0.068 0.000 1.129 3 S CB -0.631 62.605 63.200 0.060 0.000 1.011 3 S HN 0.488 nan 8.310 nan 0.000 0.436 4 L N 1.677 122.960 121.223 0.100 0.000 1.886 4 L HA -0.087 4.253 4.340 0.000 0.000 0.226 4 L C 2.428 179.379 176.870 0.136 0.000 1.091 4 L CA 1.806 56.708 54.840 0.103 0.000 0.799 4 L CB -0.913 41.197 42.059 0.084 0.000 0.889 4 L HN 0.552 nan 8.230 nan 0.000 0.429 5 I N -1.377 119.275 120.570 0.138 0.000 2.600 5 I HA -0.539 3.631 4.170 0.000 0.000 0.230 5 I C 2.471 178.682 176.117 0.157 0.000 0.913 5 I CA 2.285 63.676 61.300 0.152 0.000 1.228 5 I CB -0.454 37.660 38.000 0.190 0.000 0.943 5 I HN 0.234 nan 8.210 nan 0.000 0.391 6 Y N 1.156 121.473 120.300 0.030 0.000 2.079 6 Y HA -0.194 4.356 4.550 0.000 0.000 0.267 6 Y C 3.011 178.915 175.900 0.006 0.000 1.104 6 Y CA 2.425 60.554 58.100 0.048 0.000 1.086 6 Y CB -0.996 37.559 38.460 0.158 0.000 0.989 6 Y HN 0.157 nan 8.280 nan 0.000 0.477 7 R N -0.233 120.426 120.500 0.264 0.000 2.113 7 R HA -0.271 4.069 4.340 0.000 0.000 0.244 7 R C 2.184 178.520 176.300 0.059 0.000 1.142 7 R CA 1.805 57.998 56.100 0.156 0.000 0.953 7 R CB -0.552 29.838 30.300 0.150 0.000 0.860 7 R HN 0.447 nan 8.270 nan 0.000 0.438 8 Q N 0.609 120.439 119.800 0.049 0.000 2.182 8 Q HA -0.236 4.104 4.340 0.000 0.000 0.213 8 Q C 2.206 178.165 176.000 -0.069 0.000 1.000 8 Q CA 1.732 57.539 55.803 0.007 0.000 0.889 8 Q CB -0.288 28.465 28.738 0.025 0.000 0.932 8 Q HN 0.451 nan 8.270 nan 0.000 0.415 9 L N -0.178 120.951 121.223 -0.157 0.000 1.948 9 L HA -0.199 4.141 4.340 0.000 0.000 0.212 9 L C 2.504 179.250 176.870 -0.207 0.000 1.074 9 L CA 1.002 55.665 54.840 -0.294 0.000 0.753 9 L CB -0.851 40.800 42.059 -0.681 0.000 0.888 9 L HN 0.197 nan 8.230 nan 0.000 0.432 10 L N -0.283 120.863 121.223 -0.128 0.000 2.351 10 L HA -0.215 4.125 4.340 0.000 0.000 0.220 10 L C 2.495 179.371 176.870 0.009 0.000 1.127 10 L CA 1.129 55.982 54.840 0.022 0.000 0.786 10 L CB -0.984 41.163 42.059 0.145 0.000 0.914 10 L HN 0.425 nan 8.230 nan 0.000 0.443 11 T N -1.101 113.444 114.554 -0.014 0.000 2.851 11 T HA -0.060 4.290 4.350 0.000 0.000 0.262 11 T C 0.908 175.572 174.700 -0.060 0.000 1.043 11 T CA 0.943 63.052 62.100 0.014 0.000 1.140 11 T CB -0.164 68.720 68.868 0.027 0.000 0.872 11 T HN 0.282 nan 8.240 nan 0.000 0.446 12 N N 1.498 120.088 118.700 -0.184 0.000 3.209 12 N HA 0.219 4.959 4.740 0.000 0.000 0.309 12 N C 1.008 176.254 175.510 -0.440 0.000 1.384 12 N CA -0.189 52.601 53.050 -0.434 0.000 1.173 12 N CB 0.441 38.727 38.487 -0.335 0.000 1.460 12 N HN 0.332 nan 8.380 nan 0.000 0.534 13 S N -0.419 115.092 115.700 -0.316 0.000 2.499 13 S HA -0.104 4.366 4.470 0.000 0.000 0.225 13 S C 1.916 176.423 174.600 -0.156 0.000 1.050 13 S CA -0.199 57.891 58.200 -0.184 0.000 0.928 13 S CB -0.535 62.636 63.200 -0.048 0.000 0.803 13 S HN 0.472 nan 8.310 nan 0.000 0.506 14 Y N 2.630 122.927 120.300 -0.005 0.000 2.271 14 Y HA -0.110 4.440 4.550 0.000 0.000 0.284 14 Y C 1.977 177.871 175.900 -0.010 0.000 1.189 14 Y CA 1.342 59.439 58.100 -0.004 0.000 1.229 14 Y CB -2.014 36.445 38.460 -0.002 0.000 0.973 14 Y HN 0.214 nan 8.280 nan 0.000 0.537 15 T N 1.695 116.114 114.554 -0.225 0.000 2.737 15 T HA -0.204 4.146 4.350 0.000 0.000 0.265 15 T C 2.240 176.922 174.700 -0.029 0.000 1.038 15 T CA 2.474 64.529 62.100 -0.074 0.000 1.144 15 T CB -1.014 67.693 68.868 -0.268 0.000 0.866 15 T HN 0.519 nan 8.240 nan 0.000 0.434 16 V N 1.687 121.555 119.914 -0.076 0.000 2.285 16 V HA -0.380 3.740 4.120 0.000 0.000 0.260 16 V C 1.894 177.985 176.094 -0.006 0.000 1.089 16 V CA 2.407 64.682 62.300 -0.043 0.000 1.082 16 V CB -1.018 30.785 31.823 -0.033 0.000 0.681 16 V HN 0.399 nan 8.190 nan 0.000 0.452 17 D N 0.423 120.837 120.400 0.024 0.000 2.119 17 D HA -0.127 4.513 4.640 0.000 0.000 0.199 17 D C 2.296 178.614 176.300 0.030 0.000 0.987 17 D CA 2.165 56.184 54.000 0.032 0.000 0.858 17 D CB -0.317 40.514 40.800 0.051 0.000 1.008 17 D HN 0.501 nan 8.370 nan 0.000 0.450 18 L N 1.096 122.348 121.223 0.049 0.000 2.064 18 L HA -0.353 3.987 4.340 0.000 0.000 0.234 18 L C 2.883 179.765 176.870 0.020 0.000 1.103 18 L CA 2.227 57.091 54.840 0.040 0.000 0.824 18 L CB -1.232 40.864 42.059 0.061 0.000 0.919 18 L HN 0.154 nan 8.230 nan 0.000 0.447 19 S N -0.771 114.935 115.700 0.011 0.000 2.365 19 S HA -0.329 4.141 4.470 0.000 0.000 0.221 19 S C 1.838 176.437 174.600 -0.002 0.000 1.037 19 S CA 1.613 59.811 58.200 -0.003 0.000 1.060 19 S CB -0.793 62.394 63.200 -0.020 0.000 0.974 19 S HN 0.554 nan 8.310 nan 0.000 0.427 20 D N 1.571 121.969 120.400 -0.003 0.000 2.192 20 D HA -0.275 4.365 4.640 0.000 0.000 0.189 20 D C 1.939 178.241 176.300 0.003 0.000 1.007 20 D CA 2.091 56.091 54.000 -0.001 0.000 0.859 20 D CB -0.570 40.231 40.800 0.002 0.000 0.936 20 D HN 0.783 nan 8.370 nan 0.000 0.447 21 E N -0.388 119.816 120.200 0.007 0.000 2.333 21 E HA -0.136 4.214 4.350 0.000 0.000 0.198 21 E C 2.403 179.006 176.600 0.005 0.000 1.007 21 E CA 0.268 56.673 56.400 0.007 0.000 0.845 21 E CB 0.001 29.707 29.700 0.011 0.000 0.766 21 E HN 0.430 nan 8.360 nan 0.000 0.507 22 I N 1.183 121.755 120.570 0.004 0.000 2.130 22 I HA -0.311 3.859 4.170 0.000 0.000 0.232 22 I C 2.574 178.692 176.117 0.002 0.000 1.064 22 I CA 1.415 62.716 61.300 0.003 0.000 1.338 22 I CB -0.500 37.501 38.000 0.001 0.000 1.084 22 I HN 0.168 nan 8.210 nan 0.000 0.404 23 Q N 1.122 120.922 119.800 0.000 0.000 2.534 23 Q HA -0.258 4.082 4.340 0.000 0.000 0.218 23 Q C 1.347 177.348 176.000 0.001 0.000 0.989 23 Q CA 1.685 57.488 55.803 0.000 0.000 0.903 23 Q CB -0.506 28.232 28.738 -0.001 0.000 0.942 23 Q HN 0.621 nan 8.270 nan 0.000 0.501 24 E N 1.067 121.268 120.200 0.002 0.000 2.057 24 E HA 0.031 4.381 4.350 0.000 0.000 0.191 24 E C 1.960 178.561 176.600 0.002 0.000 0.959 24 E CA 0.655 57.057 56.400 0.002 0.000 0.828 24 E CB -0.071 29.630 29.700 0.003 0.000 0.800 24 E HN 0.315 nan 8.360 nan 0.000 0.460 25 I N 1.604 122.175 120.570 0.003 0.000 2.479 25 I HA -0.239 3.931 4.170 0.000 0.000 0.258 25 I C 2.196 178.314 176.117 0.002 0.000 1.165 25 I CA 1.336 62.638 61.300 0.003 0.000 1.422 25 I CB -0.389 37.612 38.000 0.003 0.000 1.087 25 I HN 0.204 nan 8.210 nan 0.000 0.441 26 G N -0.901 107.901 108.800 0.002 0.000 2.576 26 G HA2 0.014 3.974 3.960 0.000 0.000 0.210 26 G HA3 0.014 3.974 3.960 0.000 0.000 0.210 26 G C 1.067 175.968 174.900 0.002 0.000 1.143 26 G CA -0.015 45.086 45.100 0.002 0.000 0.819 26 G HN 0.252 nan 8.290 nan 0.000 0.534 27 S N 0.034 115.735 115.700 0.002 0.000 2.592 27 S HA 0.292 4.762 4.470 0.000 0.000 0.247 27 S C 1.643 176.244 174.600 0.002 0.000 1.322 27 S CA 0.441 58.642 58.200 0.002 0.000 0.973 27 S CB 0.056 63.257 63.200 0.002 0.000 0.971 27 S HN 0.630 nan 8.310 nan 0.000 0.545 28 T N 0.732 115.287 114.554 0.002 0.000 2.887 28 T HA 0.194 4.544 4.350 0.000 0.000 0.371 28 T C 0.141 174.842 174.700 0.002 0.000 1.126 28 T CA -0.379 61.723 62.100 0.002 0.000 1.043 28 T CB -0.183 68.687 68.868 0.002 0.000 1.362 28 T HN 0.658 nan 8.240 nan 0.000 0.525 29 K N -0.042 120.359 120.400 0.002 0.000 2.118 29 K HA 0.405 4.725 4.320 0.000 0.000 0.264 29 K C -0.725 175.877 176.600 0.003 0.000 1.000 29 K CA -0.631 55.658 56.287 0.002 0.000 0.929 29 K CB 0.932 33.434 32.500 0.002 0.000 1.021 29 K HN 0.569 nan 8.250 nan 0.000 0.463 30 T N 2.136 116.692 114.554 0.003 0.000 2.943 30 T HA 0.240 4.590 4.350 0.000 0.000 0.284 30 T C -0.761 173.942 174.700 0.004 0.000 1.015 30 T CA -0.765 61.337 62.100 0.003 0.000 1.042 30 T CB 1.129 69.999 68.868 0.003 0.000 1.055 30 T HN 0.674 nan 8.240 nan 0.000 0.500 31 Q N 1.264 121.066 119.800 0.004 0.000 2.263 31 Q HA 0.374 4.714 4.340 0.000 0.000 0.262 31 Q C -1.523 174.480 176.000 0.006 0.000 0.984 31 Q CA -1.018 54.788 55.803 0.005 0.000 0.813 31 Q CB 0.997 29.738 28.738 0.005 0.000 1.299 31 Q HN 0.305 nan 8.270 nan 0.000 0.428 32 N N 2.732 121.435 118.700 0.006 0.000 2.406 32 N HA 0.021 4.761 4.740 0.000 0.000 0.269 32 N C -0.058 175.457 175.510 0.009 0.000 1.210 32 N CA 0.048 53.102 53.050 0.007 0.000 0.966 32 N CB 1.605 40.096 38.487 0.007 0.000 1.293 32 N HN 0.565 nan 8.380 nan 0.000 0.491 33 V N 2.037 121.957 119.914 0.010 0.000 3.514 33 V HA 0.073 4.193 4.120 0.000 0.000 0.301 33 V C 0.093 176.198 176.094 0.017 0.000 1.346 33 V CA 0.462 62.770 62.300 0.013 0.000 1.156 33 V CB -0.328 31.503 31.823 0.012 0.000 1.029 33 V HN 0.418 nan 8.190 nan 0.000 0.428 34 T N 2.926 117.490 114.554 0.016 0.000 2.929 34 T HA 0.429 4.779 4.350 0.000 0.000 0.331 34 T C 0.237 174.949 174.700 0.020 0.000 1.120 34 T CA -0.126 61.985 62.100 0.020 0.000 0.973 34 T CB 0.643 69.520 68.868 0.016 0.000 1.036 34 T HN 0.080 nan 8.240 nan 0.000 0.502 35 I N 3.864 124.450 120.570 0.027 0.000 3.517 35 I HA 0.206 4.376 4.170 0.000 0.000 0.346 35 I C 0.887 177.025 176.117 0.034 0.000 1.510 35 I CA -0.203 61.114 61.300 0.027 0.000 1.090 35 I CB -1.540 36.477 38.000 0.028 0.000 1.506 35 I HN 0.542 nan 8.210 nan 0.000 0.477 36 N N 1.439 120.156 118.700 0.028 0.000 3.594 36 N HA -0.311 4.429 4.740 0.000 0.000 0.203 36 N C 0.513 176.048 175.510 0.042 0.000 0.298 36 N CA 1.606 54.672 53.050 0.026 0.000 2.288 36 N CB -0.629 37.868 38.487 0.017 0.000 1.381 36 N HN 0.373 nan 8.380 nan 0.000 0.377 37 L N -0.508 120.752 121.223 0.062 0.000 2.239 37 L HA 0.115 4.455 4.340 0.000 0.000 0.598 37 L C 0.160 177.038 176.870 0.012 0.000 1.000 37 L CA 1.030 55.942 54.840 0.120 0.000 1.288 37 L CB -1.125 41.039 42.059 0.175 0.000 1.989 37 L HN 0.745 nan 8.230 nan 0.000 0.990 38 G N 4.407 113.198 108.800 -0.014 0.000 2.389 38 G HA2 0.848 4.808 3.960 0.000 0.000 0.328 38 G HA3 0.848 4.808 3.960 0.000 0.000 0.328 38 G C -2.890 171.778 174.900 -0.386 0.000 1.133 38 G CA -1.054 43.960 45.100 -0.143 0.000 0.891 38 G HN 0.497 nan 8.290 nan 0.000 0.485 39 P HA 0.465 nan 4.420 nan 0.000 0.308 39 P C -0.042 177.118 177.300 -0.232 0.000 1.416 39 P CA -0.730 62.151 63.100 -0.365 0.000 1.059 39 P CB 1.363 32.916 31.700 -0.245 0.000 1.289 40 F N 1.228 121.107 119.950 -0.117 0.000 1.469 40 F HA -0.113 4.414 4.527 0.000 0.000 0.078 40 F C 0.535 176.329 175.800 -0.011 0.000 0.200 40 F CA 1.023 59.010 58.000 -0.021 0.000 0.347 40 F CB -1.219 37.771 39.000 -0.016 0.000 0.720 40 F HN 0.601 nan 8.300 nan 0.000 0.664 41 A N -1.534 121.442 122.820 0.261 0.000 2.011 41 A HA 0.186 4.506 4.320 0.000 0.000 0.183 41 A C 0.360 178.064 177.584 0.200 0.000 2.000 41 A CA 0.397 52.488 52.037 0.089 0.000 1.623 41 A CB -0.619 18.348 19.000 -0.055 0.000 1.510 41 A HN 1.302 nan 8.150 nan 0.000 0.297 42 Q N 0.553 120.449 119.800 0.160 0.000 2.729 42 Q HA -0.100 4.240 4.340 0.000 0.000 0.184 42 Q C -0.959 175.080 176.000 0.064 0.000 1.453 42 Q CA 1.159 57.015 55.803 0.088 0.000 0.579 42 Q CB -1.108 27.681 28.738 0.084 0.000 0.717 42 Q HN 0.727 nan 8.270 nan 0.000 0.316 43 T N 0.582 115.167 114.554 0.052 0.000 2.883 43 T HA 0.876 5.226 4.350 0.000 0.000 0.301 43 T C 0.091 174.822 174.700 0.051 0.000 1.158 43 T CA -0.193 61.946 62.100 0.066 0.000 1.007 43 T CB 2.186 71.107 68.868 0.088 0.000 1.186 43 T HN 0.681 nan 8.240 nan 0.000 0.499 44 G N -0.010 108.822 108.800 0.053 0.000 2.782 44 G HA2 0.589 4.549 3.960 0.000 0.000 0.304 44 G HA3 0.589 4.549 3.960 0.000 0.000 0.304 44 G C -1.752 173.170 174.900 0.036 0.000 1.315 44 G CA -0.890 44.185 45.100 -0.042 0.000 0.791 44 G HN 0.620 nan 8.290 nan 0.000 0.519 45 Y N 0.233 120.718 120.300 0.309 0.000 2.526 45 Y HA 0.433 4.983 4.550 0.000 0.000 0.330 45 Y C 0.787 176.766 175.900 0.132 0.000 1.156 45 Y CA 0.189 58.410 58.100 0.201 0.000 1.419 45 Y CB 0.931 39.456 38.460 0.108 0.000 1.250 45 Y HN 0.595 nan 8.280 nan 0.000 0.540 46 A N 5.867 128.839 122.820 0.254 0.000 2.815 46 A HA 0.772 5.092 4.320 0.000 0.000 0.318 46 A C -2.704 174.980 177.584 0.166 0.000 1.186 46 A CA -0.929 51.217 52.037 0.182 0.000 0.754 46 A CB 0.095 19.186 19.000 0.151 0.000 1.151 46 A HN 0.638 nan 8.150 nan 0.000 0.452 47 P HA 0.637 nan 4.420 nan 0.000 0.371 47 P C -1.420 175.944 177.300 0.106 0.000 1.257 47 P CA -0.386 62.792 63.100 0.130 0.000 1.484 47 P CB 1.631 33.412 31.700 0.136 0.000 2.891 66 D N 3.362 123.923 120.400 0.269 0.000 2.359 66 D HA 0.768 5.408 4.640 0.000 0.000 0.230 66 D C 0.574 177.018 176.300 0.240 0.000 1.118 66 D CA 0.258 54.403 54.000 0.242 0.000 0.844 66 D CB 1.907 42.880 40.800 0.289 0.000 1.059 66 D HN 0.779 nan 8.370 nan 0.000 0.493 67 G N 2.315 111.058 108.800 -0.095 0.000 2.352 67 G HA2 0.170 4.130 3.960 0.000 0.000 0.283 67 G HA3 0.170 4.130 3.960 0.000 0.000 0.283 67 G C -3.122 171.504 174.900 -0.456 0.000 1.308 67 G CA -1.036 43.689 45.100 -0.625 0.000 0.892 67 G HN 0.423 nan 8.290 nan 0.000 0.504 68 P HA 0.496 nan 4.420 nan 0.000 0.278 68 P C -1.444 175.254 177.300 -1.003 0.000 1.238 68 P CA -0.016 62.406 63.100 -1.130 0.000 0.794 68 P CB 0.758 31.954 31.700 -0.839 0.000 0.955 69 Y N 0.106 119.850 120.300 -0.926 0.000 2.420 69 Y HA 0.225 4.775 4.550 0.000 0.000 0.334 69 Y C 1.310 176.791 175.900 -0.698 0.000 1.094 69 Y CA -0.631 56.924 58.100 -0.908 0.000 1.126 69 Y CB 1.405 38.964 38.460 -1.502 0.000 1.217 69 Y HN 0.261 nan 8.280 nan 0.000 0.462 70 Q N 2.870 122.532 119.800 -0.230 0.000 2.382 70 Q HA 0.261 4.601 4.340 0.000 0.000 0.229 70 Q C -2.403 173.648 176.000 0.084 0.000 1.006 70 Q CA -1.987 53.767 55.803 -0.082 0.000 0.916 70 Q CB 0.322 29.024 28.738 -0.059 0.000 1.235 70 Q HN 0.358 nan 8.270 nan 0.000 0.512 71 P HA -0.041 nan 4.420 nan 0.000 0.264 71 P C -0.634 176.722 177.300 0.093 0.000 1.183 71 P CA 0.811 63.998 63.100 0.145 0.000 0.763 71 P CB 0.445 32.199 31.700 0.089 0.000 0.807 72 T N -1.133 113.462 114.554 0.068 0.000 2.722 72 T HA 0.399 4.749 4.350 0.000 0.000 0.314 72 T C -1.042 173.660 174.700 0.003 0.000 1.675 72 T CA -0.825 61.291 62.100 0.028 0.000 1.003 72 T CB 0.703 69.599 68.868 0.045 0.000 1.602 72 T HN 0.089 nan 8.240 nan 0.000 0.496 73 T N 2.223 116.794 114.554 0.028 0.000 2.771 73 T HA 0.764 5.114 4.350 0.000 0.000 0.281 73 T C -0.743 174.075 174.700 0.196 0.000 0.982 73 T CA -0.552 61.579 62.100 0.052 0.000 0.978 73 T CB -0.007 68.861 68.868 0.001 0.000 0.930 73 T HN 0.726 nan 8.240 nan 0.000 0.447 74 F N 0.923 120.807 119.950 -0.109 0.000 2.789 74 F HA 0.688 5.215 4.527 0.000 0.000 0.319 74 F C -1.099 174.653 175.800 -0.080 0.000 1.168 74 F CA -1.418 56.532 58.000 -0.084 0.000 0.934 74 F CB 1.465 40.415 39.000 -0.083 0.000 1.375 74 F HN 0.293 nan 8.300 nan 0.000 0.480 75 N N 2.814 121.326 118.700 -0.314 0.000 2.699 75 N HA 0.451 5.191 4.740 0.000 0.000 0.232 75 N C -2.998 172.189 175.510 -0.538 0.000 1.027 75 N CA -2.430 50.383 53.050 -0.395 0.000 0.920 75 N CB 0.683 39.085 38.487 -0.141 0.000 1.148 75 N HN 0.352 nan 8.380 nan 0.000 0.509 76 P HA 0.241 nan 4.420 nan 0.000 0.271 76 P C -2.686 174.484 177.300 -0.217 0.000 1.218 76 P CA -1.035 61.731 63.100 -0.557 0.000 0.780 76 P CB -0.113 31.261 31.700 -0.543 0.000 0.901 77 P HA -0.021 nan 4.420 nan 0.000 0.272 77 P C -0.007 177.323 177.300 0.050 0.000 1.223 77 P CA -0.066 63.002 63.100 -0.054 0.000 0.784 77 P CB 0.282 31.902 31.700 -0.134 0.000 0.923 78 V N -1.569 118.370 119.914 0.042 0.000 3.096 78 V HA 0.134 4.254 4.120 0.000 0.000 0.306 78 V C 0.301 176.511 176.094 0.193 0.000 1.088 78 V CA -0.031 62.324 62.300 0.092 0.000 1.129 78 V CB -0.871 31.004 31.823 0.088 0.000 1.014 78 V HN 0.639 nan 8.190 nan 0.000 0.486 79 D N 0.243 120.703 120.400 0.100 0.000 2.870 79 D HA -0.189 4.451 4.640 0.000 0.000 0.228 79 D C -0.807 175.362 176.300 -0.218 0.000 1.147 79 D CA 1.505 55.462 54.000 -0.071 0.000 0.757 79 D CB -1.773 39.015 40.800 -0.020 0.000 1.091 79 D HN 0.809 nan 8.370 nan 0.000 0.429 80 Y N -1.161 119.062 120.300 -0.128 0.000 2.442 80 Y HA 0.467 5.017 4.550 0.000 0.000 0.344 80 Y C -0.066 175.794 175.900 -0.066 0.000 0.976 80 Y CA -1.054 57.030 58.100 -0.027 0.000 1.040 80 Y CB 1.045 39.552 38.460 0.079 0.000 1.228 80 Y HN -0.120 nan 8.280 nan 0.000 0.451 81 W N 4.812 126.230 121.300 0.198 0.000 2.316 81 W HA 0.493 5.153 4.660 0.000 0.000 0.311 81 W C 0.000 176.678 176.519 0.265 0.000 1.217 81 W CA -0.581 56.882 57.345 0.197 0.000 1.199 81 W CB 0.986 30.550 29.460 0.174 0.000 1.202 81 W HN 0.308 nan 8.180 nan 0.000 0.528 82 M N 5.579 125.478 119.600 0.499 0.000 2.111 82 M HA 0.280 4.760 4.480 0.000 0.000 0.351 82 M C -1.034 175.512 176.300 0.411 0.000 1.214 82 M CA -0.968 54.585 55.300 0.422 0.000 1.120 82 M CB 0.151 32.889 32.600 0.231 0.000 1.443 82 M HN 0.344 nan 8.290 nan 0.000 0.429 83 L N 6.829 128.314 121.223 0.436 0.000 2.278 83 L HA 0.476 4.816 4.340 0.000 0.000 0.287 83 L C -1.589 175.513 176.870 0.386 0.000 1.072 83 L CA 0.104 55.135 54.840 0.318 0.000 0.819 83 L CB 0.575 42.783 42.059 0.248 0.000 1.176 83 L HN 0.671 nan 8.230 nan 0.000 0.435 84 L N 5.659 127.052 121.223 0.283 0.000 2.309 84 L HA 0.717 5.057 4.340 0.000 0.000 0.282 84 L C 0.303 177.315 176.870 0.236 0.000 1.036 84 L CA -0.328 54.690 54.840 0.297 0.000 0.806 84 L CB 1.664 43.887 42.059 0.272 0.000 1.220 84 L HN 0.758 nan 8.230 nan 0.000 0.429 85 A N 4.208 127.170 122.820 0.238 0.000 3.165 85 A HA 0.541 4.861 4.320 0.000 0.000 0.331 85 A C -2.449 175.208 177.584 0.122 0.000 1.034 85 A CA -1.294 50.846 52.037 0.171 0.000 0.906 85 A CB -0.436 18.689 19.000 0.208 0.000 1.054 85 A HN 0.369 nan 8.150 nan 0.000 0.484 86 P HA 0.146 nan 4.420 nan 0.000 0.272 86 P C 0.700 177.976 177.300 -0.039 0.000 1.223 86 P CA 0.316 63.451 63.100 0.058 0.000 0.784 86 P CB 1.234 32.975 31.700 0.068 0.000 0.923 87 T N -2.011 112.527 114.554 -0.026 0.000 2.969 87 T HA 0.451 4.801 4.350 0.000 0.000 0.250 87 T C 0.680 175.357 174.700 -0.040 0.000 1.021 87 T CA 0.028 62.104 62.100 -0.040 0.000 1.003 87 T CB 0.071 68.946 68.868 0.011 0.000 1.040 87 T HN 0.556 nan 8.240 nan 0.000 0.492 88 A N 0.953 123.760 122.820 -0.022 0.000 2.380 88 A HA 0.912 5.232 4.320 0.000 0.000 0.315 88 A C 0.175 177.775 177.584 0.028 0.000 1.101 88 A CA -0.666 51.392 52.037 0.036 0.000 0.771 88 A CB 1.112 20.142 19.000 0.050 0.000 1.287 88 A HN 0.689 nan 8.150 nan 0.000 0.436 89 A N 0.098 123.000 122.820 0.136 0.000 2.466 89 A HA 0.645 4.965 4.320 0.000 0.000 0.238 89 A C 0.998 178.636 177.584 0.090 0.000 1.074 89 A CA 1.001 53.129 52.037 0.152 0.000 0.774 89 A CB -0.279 18.849 19.000 0.214 0.000 1.015 89 A HN 2.851 nan 8.150 nan 0.000 0.498 90 G N -1.099 107.757 108.800 0.094 0.000 2.315 90 G HA2 0.302 4.262 3.960 0.000 0.000 0.296 90 G HA3 0.302 4.262 3.960 0.000 0.000 0.296 90 G C -0.698 174.199 174.900 -0.004 0.000 1.289 90 G CA -0.410 44.763 45.100 0.120 0.000 0.996 90 G HN 1.463 nan 8.290 nan 0.000 0.487 91 V N 0.840 120.704 119.914 -0.082 0.000 2.572 91 V HA 0.307 4.427 4.120 0.000 0.000 0.291 91 V C 1.553 177.633 176.094 -0.023 0.000 1.039 91 V CA 0.405 62.595 62.300 -0.183 0.000 1.055 91 V CB 1.012 32.575 31.823 -0.433 0.000 0.969 91 V HN 0.819 nan 8.190 nan 0.000 0.482 92 V N 4.855 124.838 119.914 0.114 0.000 2.581 92 V HA 0.216 4.336 4.120 0.000 0.000 0.240 92 V C 0.439 176.755 176.094 0.370 0.000 1.054 92 V CA 0.931 63.380 62.300 0.248 0.000 1.076 92 V CB 1.075 33.041 31.823 0.237 0.000 0.748 92 V HN 0.591 nan 8.190 nan 0.000 0.474 93 V N 0.691 120.800 119.914 0.324 0.000 3.147 93 V HA 0.581 4.701 4.120 0.000 0.000 0.299 93 V C -2.112 174.098 176.094 0.194 0.000 1.302 93 V CA -0.458 61.980 62.300 0.231 0.000 1.015 93 V CB 2.368 34.285 31.823 0.156 0.000 1.086 93 V HN 0.701 nan 8.190 nan 0.000 0.437 94 E N 3.803 124.065 120.200 0.103 0.000 2.366 94 E HA 0.826 5.176 4.350 0.000 0.000 0.278 94 E C -0.795 175.863 176.600 0.096 0.000 0.923 94 E CA -0.654 55.764 56.400 0.031 0.000 0.761 94 E CB 2.452 31.950 29.700 -0.337 0.000 1.231 94 E HN 1.208 nan 8.360 nan 0.000 0.443 95 G N 0.485 109.463 108.800 0.297 0.000 2.720 95 G HA2 0.579 4.539 3.960 0.000 0.000 0.295 95 G HA3 0.579 4.539 3.960 0.000 0.000 0.295 95 G C -1.468 173.576 174.900 0.241 0.000 1.437 95 G CA -0.288 44.960 45.100 0.247 0.000 0.886 95 G HN 0.507 nan 8.290 nan 0.000 0.509 96 T N -1.112 113.431 114.554 -0.019 0.000 2.894 96 T HA 0.437 4.787 4.350 0.000 0.000 0.309 96 T C 0.108 174.545 174.700 -0.438 0.000 1.208 96 T CA -0.422 61.396 62.100 -0.470 0.000 1.016 96 T CB 1.531 69.710 68.868 -1.148 0.000 1.192 96 T HN 0.692 nan 8.240 nan 0.000 0.491 97 N N 2.355 120.725 118.700 -0.550 0.000 2.270 97 N HA 0.131 4.871 4.740 0.000 0.000 0.198 97 N C 0.451 175.696 175.510 -0.442 0.000 1.117 97 N CA -0.113 52.709 53.050 -0.381 0.000 0.845 97 N CB -0.325 38.004 38.487 -0.263 0.000 0.980 97 N HN 0.656 nan 8.380 nan 0.000 0.486 98 N N -1.145 117.108 118.700 -0.745 0.000 2.863 98 N HA -0.202 4.538 4.740 0.000 0.000 0.245 98 N C 0.249 175.582 175.510 -0.296 0.000 1.001 98 N CA 1.812 54.555 53.050 -0.513 0.000 0.901 98 N CB -1.507 36.876 38.487 -0.173 0.000 1.124 98 N HN 0.737 nan 8.380 nan 0.000 0.582 99 T N -3.599 110.711 114.554 -0.407 0.000 3.361 99 T HA 0.088 4.438 4.350 0.000 0.000 0.241 99 T C 0.766 175.500 174.700 0.056 0.000 0.998 99 T CA 0.758 62.817 62.100 -0.069 0.000 1.215 99 T CB 0.084 68.915 68.868 -0.062 0.000 1.196 99 T HN 0.050 nan 8.240 nan 0.000 0.376 100 D N 0.176 120.547 120.400 -0.048 0.000 2.513 100 D HA 0.368 5.008 4.640 0.000 0.000 0.222 100 D C 0.307 176.648 176.300 0.068 0.000 1.210 100 D CA -0.452 53.598 54.000 0.083 0.000 0.825 100 D CB 0.472 41.301 40.800 0.048 0.000 1.037 100 D HN 0.334 nan 8.370 nan 0.000 0.506 101 R N 0.137 120.559 120.500 -0.131 0.000 2.515 101 R HA 0.419 4.759 4.340 0.000 0.000 0.278 101 R C -2.284 173.857 176.300 -0.266 0.000 1.107 101 R CA -0.488 55.581 56.100 -0.052 0.000 0.945 101 R CB 0.889 31.147 30.300 -0.071 0.000 1.219 101 R HN 0.047 nan 8.270 nan 0.000 0.434 102 W N 6.337 127.584 121.300 -0.087 0.000 2.739 102 W HA 0.570 5.230 4.660 0.000 0.000 0.331 102 W C -1.203 175.395 176.519 0.131 0.000 1.049 102 W CA -0.958 56.334 57.345 -0.088 0.000 1.234 102 W CB 2.223 31.513 29.460 -0.283 0.000 1.404 102 W HN 0.428 nan 8.180 nan 0.000 0.477 103 L N 3.202 124.693 121.223 0.447 0.000 2.436 103 L HA 0.832 5.172 4.340 0.000 0.000 0.268 103 L C -1.051 176.053 176.870 0.389 0.000 0.974 103 L CA -0.215 54.811 54.840 0.309 0.000 0.826 103 L CB 1.575 43.671 42.059 0.062 0.000 1.291 103 L HN 0.399 nan 8.230 nan 0.000 0.406 104 A N 2.794 125.777 122.820 0.272 0.000 2.374 104 A HA 0.754 5.074 4.320 0.000 0.000 0.305 104 A C -0.708 176.905 177.584 0.047 0.000 1.053 104 A CA -0.457 51.644 52.037 0.106 0.000 0.726 104 A CB 1.637 20.612 19.000 -0.042 0.000 1.229 104 A HN 0.589 nan 8.150 nan 0.000 0.431 105 T N 3.119 117.710 114.554 0.062 0.000 2.767 105 T HA 0.548 4.898 4.350 0.000 0.000 0.288 105 T C -0.091 174.577 174.700 -0.054 0.000 0.963 105 T CA 0.209 62.325 62.100 0.027 0.000 1.019 105 T CB 0.166 69.071 68.868 0.063 0.000 0.923 105 T HN 0.441 nan 8.240 nan 0.000 0.468 106 I N 3.321 123.811 120.570 -0.134 0.000 2.493 106 I HA 0.432 4.602 4.170 0.000 0.000 0.298 106 I C -0.666 175.359 176.117 -0.153 0.000 0.998 106 I CA -1.151 60.016 61.300 -0.221 0.000 1.137 106 I CB 1.788 39.480 38.000 -0.514 0.000 1.310 106 I HN 0.326 nan 8.210 nan 0.000 0.445 107 L N 7.732 128.861 121.223 -0.157 0.000 2.272 107 L HA 0.536 4.876 4.340 0.000 0.000 0.289 107 L C -0.706 176.129 176.870 -0.059 0.000 1.032 107 L CA -0.237 54.426 54.840 -0.294 0.000 0.810 107 L CB 1.320 43.127 42.059 -0.421 0.000 1.205 107 L HN 0.292 nan 8.230 nan 0.000 0.422 108 V N 4.494 124.395 119.914 -0.021 0.000 2.483 108 V HA 0.436 4.556 4.120 0.000 0.000 0.295 108 V C 0.075 176.226 176.094 0.094 0.000 1.035 108 V CA -0.846 61.491 62.300 0.061 0.000 0.896 108 V CB 1.610 33.448 31.823 0.025 0.000 0.986 108 V HN 0.752 nan 8.190 nan 0.000 0.447 109 E N 5.056 125.257 120.200 0.003 0.000 2.422 109 E HA 0.207 4.557 4.350 0.000 0.000 0.260 109 E C -2.471 173.914 176.600 -0.359 0.000 1.108 109 E CA -1.123 55.076 56.400 -0.335 0.000 0.943 109 E CB -0.069 29.467 29.700 -0.273 0.000 0.961 109 E HN 0.465 nan 8.360 nan 0.000 0.443 110 P HA -0.045 nan 4.420 nan 0.000 0.267 110 P C -0.720 176.450 177.300 -0.217 0.000 1.200 110 P CA 0.313 63.199 63.100 -0.357 0.000 0.772 110 P CB 0.309 31.758 31.700 -0.418 0.000 0.855 111 N N 1.071 119.688 118.700 -0.138 0.000 2.648 111 N HA -0.136 4.604 4.740 0.000 0.000 0.265 111 N C -1.669 173.795 175.510 -0.077 0.000 1.100 111 N CA 0.558 53.551 53.050 -0.094 0.000 0.715 111 N CB -1.229 37.199 38.487 -0.097 0.000 0.881 111 N HN 0.048 nan 8.380 nan 0.000 0.548 112 V N 2.010 121.889 119.914 -0.058 0.000 2.443 112 V HA 0.402 4.522 4.120 0.000 0.000 0.293 112 V C 0.688 176.767 176.094 -0.025 0.000 1.021 112 V CA -0.670 61.605 62.300 -0.041 0.000 0.848 112 V CB 1.829 33.631 31.823 -0.034 0.000 0.998 112 V HN 0.394 nan 8.190 nan 0.000 0.424 113 T N 2.956 117.496 114.554 -0.023 0.000 2.913 113 T HA 0.116 4.466 4.350 0.000 0.000 0.297 113 T C 0.676 175.371 174.700 -0.009 0.000 1.029 113 T CA 0.275 62.366 62.100 -0.015 0.000 1.104 113 T CB 1.020 69.879 68.868 -0.016 0.000 0.964 113 T HN 0.799 nan 8.240 nan 0.000 0.532 114 S N 2.688 118.386 115.700 -0.004 0.000 3.116 114 S HA -0.056 4.414 4.470 0.000 0.000 0.367 114 S C 0.048 174.648 174.600 -0.001 0.000 1.202 114 S CA 0.422 58.622 58.200 0.001 0.000 1.018 114 S CB -0.570 62.630 63.200 0.001 0.000 0.726 114 S HN 0.754 nan 8.310 nan 0.000 0.506 115 E N 2.555 122.757 120.200 0.004 0.000 2.390 115 E HA 0.408 4.758 4.350 0.000 0.000 0.280 115 E C -1.433 175.171 176.600 0.006 0.000 0.992 115 E CA -1.118 55.281 56.400 -0.002 0.000 0.790 115 E CB 0.721 30.414 29.700 -0.012 0.000 1.248 115 E HN 0.325 nan 8.360 nan 0.000 0.447 116 T N 1.867 116.419 114.554 -0.003 0.000 2.806 116 T HA 0.457 4.807 4.350 0.000 0.000 0.290 116 T C -0.365 174.314 174.700 -0.035 0.000 0.966 116 T CA -0.540 61.560 62.100 -0.000 0.000 1.060 116 T CB 0.566 69.433 68.868 -0.001 0.000 0.927 116 T HN 0.284 nan 8.240 nan 0.000 0.485 117 R N 1.389 121.860 120.500 -0.047 0.000 2.854 117 R HA 0.640 4.980 4.340 0.000 0.000 0.271 117 R C -0.687 175.459 176.300 -0.255 0.000 0.994 117 R CA -0.853 55.128 56.100 -0.198 0.000 0.945 117 R CB 1.829 31.928 30.300 -0.336 0.000 1.194 117 R HN 0.471 nan 8.270 nan 0.000 0.476 118 S N 1.152 116.630 115.700 -0.371 0.000 2.462 118 S HA 0.489 4.959 4.470 0.000 0.000 0.294 118 S C -1.307 173.002 174.600 -0.484 0.000 1.144 118 S CA -0.467 57.566 58.200 -0.278 0.000 1.088 118 S CB 0.491 63.589 63.200 -0.171 0.000 1.009 118 S HN 0.326 nan 8.310 nan 0.000 0.484 119 Y N 0.277 120.525 120.300 -0.086 0.000 2.512 119 Y HA 0.365 4.915 4.550 0.000 0.000 0.348 119 Y C 0.469 176.295 175.900 -0.123 0.000 0.990 119 Y CA -0.967 57.059 58.100 -0.122 0.000 1.033 119 Y CB 1.718 40.083 38.460 -0.158 0.000 1.259 119 Y HN 0.377 nan 8.280 nan 0.000 0.461 120 T N 4.842 119.406 114.554 0.017 0.000 2.727 120 T HA 0.483 4.833 4.350 0.000 0.000 0.298 120 T C -0.534 174.120 174.700 -0.077 0.000 0.942 120 T CA -0.387 61.697 62.100 -0.027 0.000 0.997 120 T CB -0.356 68.478 68.868 -0.058 0.000 0.917 120 T HN 0.291 nan 8.240 nan 0.000 0.487 121 L N 4.167 125.379 121.223 -0.018 0.000 2.325 121 L HA 0.486 4.826 4.340 0.000 0.000 0.281 121 L C -0.217 176.763 176.870 0.183 0.000 1.004 121 L CA -1.058 53.751 54.840 -0.052 0.000 0.823 121 L CB 0.806 42.825 42.059 -0.068 0.000 1.236 121 L HN 0.685 nan 8.230 nan 0.000 0.415 122 F N 2.590 122.659 119.950 0.198 0.000 3.067 122 F HA -0.257 4.270 4.527 0.000 0.000 0.279 122 F C 1.494 177.400 175.800 0.176 0.000 0.945 122 F CA 0.931 59.074 58.000 0.237 0.000 0.948 122 F CB -1.740 37.453 39.000 0.323 0.000 0.898 122 F HN 0.898 nan 8.300 nan 0.000 0.746 123 G N -1.133 107.790 108.800 0.204 0.000 2.184 123 G HA2 -0.264 3.696 3.960 0.000 0.000 0.264 123 G HA3 -0.264 3.696 3.960 0.000 0.000 0.264 123 G C 0.194 175.168 174.900 0.124 0.000 0.975 123 G CA 0.444 45.637 45.100 0.155 0.000 0.642 123 G HN 0.655 nan 8.290 nan 0.000 0.536 124 T N 0.249 114.886 114.554 0.140 0.000 2.863 124 T HA 0.551 4.901 4.350 0.000 0.000 0.285 124 T C -0.068 174.683 174.700 0.085 0.000 1.009 124 T CA -0.297 61.868 62.100 0.108 0.000 0.989 124 T CB 2.092 71.035 68.868 0.125 0.000 1.004 124 T HN 0.430 nan 8.240 nan 0.000 0.455 125 Q N 2.315 122.149 119.800 0.056 0.000 2.313 125 Q HA 0.153 4.493 4.340 0.000 0.000 0.266 125 Q C -0.726 175.307 176.000 0.053 0.000 0.989 125 Q CA 0.199 56.024 55.803 0.036 0.000 0.890 125 Q CB 0.477 29.223 28.738 0.013 0.000 1.200 125 Q HN 0.456 nan 8.270 nan 0.000 0.396 126 E N 3.274 123.506 120.200 0.053 0.000 2.293 126 E HA 0.260 4.610 4.350 0.000 0.000 0.270 126 E C -1.140 175.497 176.600 0.061 0.000 0.879 126 E CA -0.859 55.583 56.400 0.070 0.000 0.756 126 E CB 1.902 31.632 29.700 0.050 0.000 1.208 126 E HN 0.582 nan 8.360 nan 0.000 0.428 127 Q N 1.923 121.760 119.800 0.063 0.000 2.278 127 Q HA 0.498 4.838 4.340 0.000 0.000 0.257 127 Q C -0.195 175.856 176.000 0.084 0.000 0.928 127 Q CA -0.420 55.413 55.803 0.050 0.000 0.932 127 Q CB 1.550 30.306 28.738 0.031 0.000 1.221 127 Q HN 0.409 nan 8.270 nan 0.000 0.434 128 I N 1.882 122.521 120.570 0.114 0.000 2.533 128 I HA 0.257 4.427 4.170 0.000 0.000 0.290 128 I C -0.119 176.063 176.117 0.109 0.000 1.056 128 I CA -0.535 60.839 61.300 0.123 0.000 1.057 128 I CB 2.129 40.222 38.000 0.156 0.000 1.240 128 I HN 0.316 nan 8.210 nan 0.000 0.423 129 T N 7.206 121.803 114.554 0.071 0.000 2.728 129 T HA 0.604 4.954 4.350 0.000 0.000 0.296 129 T C 0.039 174.770 174.700 0.052 0.000 0.940 129 T CA -0.198 61.933 62.100 0.051 0.000 1.013 129 T CB 0.431 69.318 68.868 0.031 0.000 0.912 129 T HN 0.469 nan 8.240 nan 0.000 0.484 130 I N 0.781 121.387 120.570 0.060 0.000 3.108 130 I HA 1.032 5.202 4.170 0.000 0.000 0.312 130 I C -0.482 175.654 176.117 0.032 0.000 1.095 130 I CA -1.538 59.794 61.300 0.052 0.000 1.000 130 I CB 1.757 39.810 38.000 0.088 0.000 1.229 130 I HN 0.644 nan 8.210 nan 0.000 0.454 131 A N 2.091 124.925 122.820 0.023 0.000 2.610 131 A HA 0.812 5.132 4.320 0.000 0.000 0.291 131 A C -1.787 175.802 177.584 0.008 0.000 1.086 131 A CA -0.553 51.490 52.037 0.011 0.000 0.677 131 A CB 1.548 20.552 19.000 0.007 0.000 1.278 131 A HN 0.851 nan 8.150 nan 0.000 0.414 132 N N -0.184 118.513 118.700 -0.005 0.000 2.571 132 N HA 0.494 5.234 4.740 0.000 0.000 0.286 132 N C 0.289 175.790 175.510 -0.016 0.000 1.138 132 N CA 0.239 53.284 53.050 -0.008 0.000 0.859 132 N CB 1.829 40.300 38.487 -0.026 0.000 1.414 132 N HN 0.890 nan 8.380 nan 0.000 0.529 133 A N 2.035 124.853 122.820 -0.003 0.000 2.067 133 A HA 0.023 4.343 4.320 0.000 0.000 0.219 133 A C 1.090 178.667 177.584 -0.011 0.000 1.158 133 A CA 0.609 52.643 52.037 -0.004 0.000 0.661 133 A CB -0.238 18.766 19.000 0.006 0.000 0.801 133 A HN 0.547 nan 8.150 nan 0.000 0.452 134 S N -0.736 114.957 115.700 -0.011 0.000 2.531 134 S HA 0.132 4.602 4.470 0.000 0.000 0.279 134 S C 0.935 175.508 174.600 -0.046 0.000 1.305 134 S CA -0.158 58.032 58.200 -0.017 0.000 1.058 134 S CB 0.938 64.135 63.200 -0.005 0.000 0.899 134 S HN 0.574 nan 8.310 nan 0.000 0.493 135 Q N 2.486 122.261 119.800 -0.041 0.000 2.230 135 Q HA -0.050 4.290 4.340 0.000 0.000 0.202 135 Q C 1.543 177.493 176.000 -0.083 0.000 0.963 135 Q CA 1.674 57.443 55.803 -0.057 0.000 0.866 135 Q CB 0.041 28.756 28.738 -0.039 0.000 0.931 135 Q HN 0.955 nan 8.270 nan 0.000 0.452 136 T N -4.079 110.431 114.554 -0.074 0.000 2.958 136 T HA 0.233 4.583 4.350 0.000 0.000 0.256 136 T C 0.399 175.032 174.700 -0.112 0.000 0.983 136 T CA -0.449 61.596 62.100 -0.092 0.000 0.924 136 T CB 0.398 69.241 68.868 -0.042 0.000 1.136 136 T HN 0.033 nan 8.240 nan 0.000 0.506 137 Q N 0.345 120.105 119.800 -0.067 0.000 2.222 137 Q HA 0.442 4.782 4.340 0.000 0.000 0.252 137 Q C -1.095 174.873 176.000 -0.053 0.000 0.926 137 Q CA -1.022 54.781 55.803 -0.000 0.000 0.899 137 Q CB 1.333 30.125 28.738 0.090 0.000 1.250 137 Q HN 0.426 nan 8.270 nan 0.000 0.441 138 W N 1.528 122.818 121.300 -0.017 0.000 2.093 138 W HA 0.209 4.869 4.660 0.000 0.000 0.352 138 W C 0.383 176.854 176.519 -0.080 0.000 1.294 138 W CA 0.103 57.389 57.345 -0.099 0.000 1.290 138 W CB 0.441 29.787 29.460 -0.190 0.000 1.149 138 W HN 0.318 nan 8.180 nan 0.000 0.606 139 K N 2.111 122.580 120.400 0.115 0.000 2.545 139 K HA 0.358 4.678 4.320 0.000 0.000 0.252 139 K C -1.709 174.866 176.600 -0.042 0.000 0.948 139 K CA -0.660 55.676 56.287 0.082 0.000 0.827 139 K CB 0.502 33.039 32.500 0.062 0.000 1.128 139 K HN 0.271 nan 8.250 nan 0.000 0.429 140 F N 5.177 125.151 119.950 0.039 0.000 2.411 140 F HA 0.423 4.950 4.527 0.000 0.000 0.350 140 F C 0.261 176.014 175.800 -0.078 0.000 1.114 140 F CA -0.500 57.413 58.000 -0.146 0.000 1.135 140 F CB 0.879 39.586 39.000 -0.488 0.000 1.120 140 F HN 0.242 nan 8.300 nan 0.000 0.495 141 I N 3.287 123.897 120.570 0.068 0.000 2.465 141 I HA 0.265 4.435 4.170 0.000 0.000 0.291 141 I C -0.935 175.235 176.117 0.088 0.000 1.014 141 I CA -0.952 60.403 61.300 0.091 0.000 1.093 141 I CB 1.641 39.661 38.000 0.033 0.000 1.267 141 I HN 0.385 nan 8.210 nan 0.000 0.431 142 D N 6.137 126.654 120.400 0.194 0.000 2.295 142 D HA 0.270 4.910 4.640 0.000 0.000 0.248 142 D C -0.417 175.979 176.300 0.160 0.000 1.154 142 D CA -0.064 54.043 54.000 0.178 0.000 0.857 142 D CB 2.182 43.119 40.800 0.229 0.000 1.117 142 D HN 0.044 nan 8.370 nan 0.000 0.468 143 V N 3.214 123.193 119.914 0.108 0.000 2.370 143 V HA 0.369 4.489 4.120 0.000 0.000 0.283 143 V C 0.395 176.678 176.094 0.315 0.000 1.023 143 V CA -0.701 61.694 62.300 0.159 0.000 0.857 143 V CB 1.457 33.258 31.823 -0.035 0.000 0.985 143 V HN 0.396 nan 8.190 nan 0.000 0.443 144 V N 3.084 123.231 119.914 0.389 0.000 2.962 144 V HA 0.876 4.996 4.120 0.000 0.000 0.313 144 V C -0.766 175.489 176.094 0.268 0.000 1.099 144 V CA -0.931 61.569 62.300 0.334 0.000 0.971 144 V CB 2.094 33.980 31.823 0.106 0.000 1.028 144 V HN 0.939 nan 8.190 nan 0.000 0.430 145 K N 0.469 120.952 120.400 0.137 0.000 2.482 145 K HA 0.720 5.040 4.320 0.000 0.000 0.257 145 K C -0.079 176.592 176.600 0.118 0.000 0.969 145 K CA -0.032 56.211 56.287 -0.074 0.000 0.842 145 K CB 2.166 34.323 32.500 -0.573 0.000 1.359 145 K HN 0.797 nan 8.250 nan 0.000 0.441 146 T N -2.875 111.722 114.554 0.071 0.000 3.040 146 T HA 0.125 4.475 4.350 0.000 0.000 0.266 146 T C 0.219 175.021 174.700 0.170 0.000 1.005 146 T CA 0.269 62.461 62.100 0.154 0.000 0.906 146 T CB -0.208 68.717 68.868 0.094 0.000 1.082 146 T HN 0.785 nan 8.240 nan 0.000 0.531 147 T N -2.027 112.543 114.554 0.027 0.000 2.868 147 T HA 0.420 4.770 4.350 0.000 0.000 0.306 147 T C 0.678 175.062 174.700 -0.527 0.000 1.224 147 T CA -0.739 61.342 62.100 -0.031 0.000 1.012 147 T CB 2.284 71.115 68.868 -0.060 0.000 1.221 147 T HN -0.034 nan 8.240 nan 0.000 0.499 148 Q N 0.561 120.031 119.800 -0.551 0.000 2.135 148 Q HA -0.124 4.216 4.340 0.000 0.000 0.204 148 Q C 0.893 176.496 176.000 -0.662 0.000 0.981 148 Q CA 1.733 56.983 55.803 -0.921 0.000 0.856 148 Q CB -0.068 28.491 28.738 -0.298 0.000 0.902 148 Q HN 0.639 nan 8.270 nan 0.000 0.425 149 N N -0.005 118.464 118.700 -0.384 0.000 2.238 149 N HA 0.133 4.873 4.740 0.000 0.000 0.222 149 N C -0.170 175.179 175.510 -0.268 0.000 1.133 149 N CA 0.497 53.376 53.050 -0.285 0.000 0.854 149 N CB 0.900 39.290 38.487 -0.163 0.000 1.041 149 N HN 0.187 nan 8.380 nan 0.000 0.510 150 G N -0.085 108.514 108.800 -0.336 0.000 2.599 150 G HA2 0.268 4.228 3.960 0.000 0.000 0.264 150 G HA3 0.268 4.228 3.960 0.000 0.000 0.264 150 G C 0.017 174.733 174.900 -0.305 0.000 1.200 150 G CA -0.167 44.779 45.100 -0.257 0.000 0.896 150 G HN 0.040 nan 8.290 nan 0.000 0.536 151 S N -0.921 114.670 115.700 -0.182 0.000 2.601 151 S HA 0.308 4.778 4.470 0.000 0.000 0.271 151 S C -0.711 173.803 174.600 -0.144 0.000 1.305 151 S CA -0.181 57.946 58.200 -0.123 0.000 1.022 151 S CB 0.650 63.837 63.200 -0.021 0.000 0.940 151 S HN 0.369 nan 8.310 nan 0.000 0.525 152 Y N 1.324 121.632 120.300 0.014 0.000 2.335 152 Y HA 0.286 4.836 4.550 0.000 0.000 0.331 152 Y C 0.976 176.908 175.900 0.054 0.000 1.094 152 Y CA 0.170 58.299 58.100 0.049 0.000 1.253 152 Y CB 0.816 39.309 38.460 0.054 0.000 1.203 152 Y HN 0.471 nan 8.280 nan 0.000 0.508 153 S N 2.596 118.448 115.700 0.252 0.000 2.566 153 S HA 0.447 4.917 4.470 0.000 0.000 0.298 153 S C -0.999 173.662 174.600 0.102 0.000 1.083 153 S CA -1.046 57.231 58.200 0.128 0.000 0.978 153 S CB 1.509 64.793 63.200 0.140 0.000 1.073 153 S HN 0.536 nan 8.310 nan 0.000 0.491 154 Q N 1.017 120.738 119.800 -0.131 0.000 2.282 154 Q HA 0.593 4.933 4.340 0.000 0.000 0.260 154 Q C -1.575 174.231 176.000 -0.322 0.000 0.964 154 Q CA -0.434 55.318 55.803 -0.085 0.000 0.880 154 Q CB 1.513 30.225 28.738 -0.043 0.000 1.286 154 Q HN 0.624 nan 8.270 nan 0.000 0.445 155 Y N -0.318 120.086 120.300 0.174 0.000 2.638 155 Y HA 0.712 5.262 4.550 0.000 0.000 0.339 155 Y C 0.784 176.823 175.900 0.232 0.000 1.084 155 Y CA 0.027 58.257 58.100 0.216 0.000 1.068 155 Y CB 2.256 40.928 38.460 0.352 0.000 1.294 155 Y HN 0.819 nan 8.280 nan 0.000 0.480 156 G N 0.670 109.692 108.800 0.369 0.000 2.501 156 G HA2 -0.055 3.905 3.960 0.000 0.000 0.213 156 G HA3 -0.055 3.905 3.960 0.000 0.000 0.213 156 G C -2.824 172.199 174.900 0.204 0.000 1.158 156 G CA -0.522 44.755 45.100 0.295 0.000 1.079 156 G HN 0.618 nan 8.290 nan 0.000 0.586 157 P HA 0.730 nan 4.420 nan 0.000 0.304 157 P C -1.339 176.123 177.300 0.271 0.000 1.310 157 P CA -0.664 62.573 63.100 0.229 0.000 0.796 157 P CB 1.827 33.630 31.700 0.172 0.000 1.297 158 L N 0.197 121.628 121.223 0.347 0.000 2.319 158 L HA 0.351 4.691 4.340 0.000 0.000 0.281 158 L C -0.250 176.839 176.870 0.365 0.000 1.005 158 L CA -0.244 54.825 54.840 0.381 0.000 0.828 158 L CB 1.050 43.421 42.059 0.520 0.000 1.227 158 L HN 0.227 nan 8.230 nan 0.000 0.415 159 Q N 3.215 123.176 119.800 0.267 0.000 2.279 159 Q HA 0.488 4.828 4.340 0.000 0.000 0.256 159 Q C -0.714 175.446 176.000 0.268 0.000 0.937 159 Q CA -0.203 55.740 55.803 0.233 0.000 0.933 159 Q CB 1.519 30.350 28.738 0.156 0.000 1.189 159 Q HN 0.706 nan 8.270 nan 0.000 0.417 160 S N 1.493 117.388 115.700 0.325 0.000 2.547 160 S HA 0.367 4.837 4.470 0.000 0.000 0.281 160 S C 0.167 174.984 174.600 0.361 0.000 1.118 160 S CA -0.497 57.909 58.200 0.343 0.000 0.947 160 S CB 1.831 65.330 63.200 0.498 0.000 1.053 160 S HN 0.561 nan 8.310 nan 0.000 0.482 161 T N 4.246 118.959 114.554 0.266 0.000 2.953 161 T HA 0.174 4.524 4.350 0.000 0.000 0.247 161 T C -1.317 173.531 174.700 0.246 0.000 1.029 161 T CA 0.795 63.055 62.100 0.266 0.000 1.144 161 T CB -0.790 68.177 68.868 0.164 0.000 0.870 161 T HN 0.522 nan 8.240 nan 0.000 0.446 162 P HA 0.082 nan 4.420 nan 0.000 0.230 162 P C 0.430 177.766 177.300 0.060 0.000 1.158 162 P CA 0.825 63.987 63.100 0.104 0.000 0.769 162 P CB -0.002 31.739 31.700 0.069 0.000 0.807 163 K N -1.817 118.626 120.400 0.071 0.000 3.339 163 K HA -0.142 4.178 4.320 0.000 0.000 0.299 163 K C -0.785 175.927 176.600 0.187 0.000 1.270 163 K CA 0.107 56.358 56.287 -0.059 0.000 0.875 163 K CB -1.680 30.577 32.500 -0.405 0.000 1.298 163 K HN 0.192 nan 8.250 nan 0.000 0.485 164 L N 0.872 122.184 121.223 0.149 0.000 2.334 164 L HA 0.600 4.940 4.340 0.000 0.000 0.273 164 L C -0.197 176.548 176.870 -0.208 0.000 1.013 164 L CA -1.068 53.782 54.840 0.016 0.000 0.816 164 L CB 1.218 43.252 42.059 -0.041 0.000 1.278 164 L HN 0.007 nan 8.230 nan 0.000 0.431 165 Y N 1.316 121.340 120.300 -0.460 0.000 2.638 165 Y HA 0.816 5.366 4.550 0.000 0.000 0.339 165 Y C -0.878 174.901 175.900 -0.202 0.000 1.084 165 Y CA -0.865 56.877 58.100 -0.597 0.000 1.068 165 Y CB 2.235 40.092 38.460 -1.006 0.000 1.294 165 Y HN 0.619 nan 8.280 nan 0.000 0.480 166 A N 1.939 124.493 122.820 -0.443 0.000 2.594 166 A HA 0.747 5.067 4.320 0.000 0.000 0.295 166 A C -2.224 175.477 177.584 0.196 0.000 1.071 166 A CA -0.557 51.490 52.037 0.016 0.000 0.685 166 A CB 1.586 20.606 19.000 0.033 0.000 1.285 166 A HN 0.898 nan 8.150 nan 0.000 0.405 167 V N 2.415 122.605 119.914 0.460 0.000 2.925 167 V HA 0.902 5.022 4.120 0.000 0.000 0.311 167 V C -0.891 175.356 176.094 0.255 0.000 1.104 167 V CA -0.556 61.980 62.300 0.393 0.000 0.954 167 V CB 1.972 33.950 31.823 0.258 0.000 1.022 167 V HN 1.238 nan 8.190 nan 0.000 0.427 168 M N 4.884 124.457 119.600 -0.045 0.000 2.421 168 M HA 0.594 5.074 4.480 0.000 0.000 0.287 168 M C -1.792 174.462 176.300 -0.078 0.000 1.183 168 M CA -0.674 54.442 55.300 -0.306 0.000 0.916 168 M CB 2.272 34.134 32.600 -1.231 0.000 1.701 168 M HN 0.584 nan 8.290 nan 0.000 0.470 169 K N 3.052 123.453 120.400 0.003 0.000 2.262 169 K HA 0.406 4.726 4.320 0.000 0.000 0.282 169 K C -1.326 175.462 176.600 0.314 0.000 1.066 169 K CA -0.281 56.127 56.287 0.201 0.000 0.901 169 K CB 0.634 33.195 32.500 0.102 0.000 1.089 169 K HN 0.579 nan 8.250 nan 0.000 0.476 170 H N 2.094 121.279 119.070 0.193 0.000 3.026 170 H HA 0.204 4.760 4.556 0.000 0.000 0.352 170 H C -0.969 174.189 175.328 -0.282 0.000 1.090 170 H CA -0.667 55.368 56.048 -0.021 0.000 1.268 170 H CB 0.696 30.274 29.762 -0.306 0.000 1.816 170 H HN 0.542 nan 8.280 nan 0.000 0.518 171 N N 3.539 121.634 118.700 -1.008 0.000 2.705 171 N HA -0.163 4.577 4.740 0.000 0.000 0.255 171 N C 0.957 175.929 175.510 -0.897 0.000 1.008 171 N CA 1.995 54.465 53.050 -0.967 0.000 0.742 171 N CB -1.238 36.712 38.487 -0.895 0.000 0.906 171 N HN 1.248 nan 8.380 nan 0.000 0.541 172 G N -1.734 106.140 108.800 -1.543 0.000 2.148 172 G HA2 -0.354 3.606 3.960 0.000 0.000 0.254 172 G HA3 -0.354 3.606 3.960 0.000 0.000 0.254 172 G C 0.005 174.663 174.900 -0.403 0.000 0.981 172 G CA 0.962 45.566 45.100 -0.826 0.000 0.670 172 G HN 0.654 nan 8.290 nan 0.000 0.528 173 K N -1.134 119.052 120.400 -0.357 0.000 2.495 173 K HA 0.748 5.068 4.320 0.000 0.000 0.268 173 K C -0.659 176.009 176.600 0.113 0.000 1.008 173 K CA -1.072 55.162 56.287 -0.088 0.000 0.882 173 K CB 1.915 34.260 32.500 -0.258 0.000 1.443 173 K HN 0.072 nan 8.250 nan 0.000 0.447 174 I N 2.161 122.822 120.570 0.151 0.000 2.362 174 I HA 0.304 4.474 4.170 0.000 0.000 0.289 174 I C -1.071 175.188 176.117 0.237 0.000 0.994 174 I CA -0.740 60.699 61.300 0.231 0.000 1.158 174 I CB 0.678 38.810 38.000 0.221 0.000 1.315 174 I HN 0.395 nan 8.210 nan 0.000 0.451 175 Y N 4.038 124.411 120.300 0.122 0.000 2.361 175 Y HA 0.543 5.093 4.550 0.000 0.000 0.332 175 Y C 0.748 176.790 175.900 0.238 0.000 1.101 175 Y CA -0.508 57.677 58.100 0.140 0.000 1.137 175 Y CB 1.983 40.422 38.460 -0.036 0.000 1.207 175 Y HN 0.536 nan 8.280 nan 0.000 0.463 176 T N -1.426 113.374 114.554 0.410 0.000 2.883 176 T HA 0.530 4.880 4.350 0.000 0.000 0.296 176 T C -1.153 173.610 174.700 0.105 0.000 1.117 176 T CA -0.964 61.313 62.100 0.295 0.000 1.006 176 T CB 0.951 70.015 68.868 0.326 0.000 1.191 176 T HN 0.336 nan 8.240 nan 0.000 0.508 177 Y N 1.689 121.871 120.300 -0.197 0.000 2.314 177 Y HA 0.502 5.052 4.550 0.000 0.000 0.334 177 Y C 1.147 177.098 175.900 0.086 0.000 1.266 177 Y CA 0.505 58.528 58.100 -0.129 0.000 1.391 177 Y CB 0.971 39.243 38.460 -0.315 0.000 1.306 177 Y HN 1.096 nan 8.280 nan 0.000 0.558 178 N N -0.903 117.936 118.700 0.231 0.000 2.927 178 N HA 0.656 5.396 4.740 0.000 0.000 0.248 178 N C -0.357 175.267 175.510 0.190 0.000 1.443 178 N CA -0.287 52.898 53.050 0.226 0.000 0.870 178 N CB 1.819 40.405 38.487 0.165 0.000 1.444 178 N HN 0.895 nan 8.380 nan 0.000 0.519 179 G N 0.363 109.268 108.800 0.175 0.000 2.513 179 G HA2 -0.090 3.870 3.960 0.000 0.000 0.227 179 G HA3 -0.090 3.870 3.960 0.000 0.000 0.227 179 G C -1.482 173.509 174.900 0.151 0.000 1.176 179 G CA -0.272 44.912 45.100 0.139 0.000 0.967 179 G HN 0.848 nan 8.290 nan 0.000 0.587 180 E N 0.795 121.072 120.200 0.127 0.000 2.260 180 E HA 0.503 4.853 4.350 0.000 0.000 0.266 180 E C 0.091 176.758 176.600 0.111 0.000 0.887 180 E CA -0.146 56.328 56.400 0.124 0.000 0.777 180 E CB 1.774 31.532 29.700 0.096 0.000 1.205 180 E HN 0.853 nan 8.360 nan 0.000 0.414 181 T N -0.150 114.478 114.554 0.124 0.000 2.932 181 T HA 0.153 4.503 4.350 0.000 0.000 0.312 181 T C -1.614 173.133 174.700 0.078 0.000 1.071 181 T CA -1.092 61.066 62.100 0.096 0.000 1.128 181 T CB 0.755 69.686 68.868 0.106 0.000 0.984 181 T HN 0.266 nan 8.240 nan 0.000 0.549 182 P HA 0.258 nan 4.420 nan 0.000 0.243 182 P C -0.530 176.792 177.300 0.036 0.000 1.672 182 P CA -0.423 62.702 63.100 0.042 0.000 1.000 182 P CB -0.044 31.675 31.700 0.031 0.000 1.562 183 N N 0.770 119.500 118.700 0.050 0.000 2.642 183 N HA 0.114 4.854 4.740 0.000 0.000 0.308 183 N C 0.313 175.863 175.510 0.066 0.000 1.914 183 N CA -0.184 52.894 53.050 0.047 0.000 0.893 183 N CB 2.041 40.553 38.487 0.042 0.000 1.322 183 N HN 0.059 nan 8.380 nan 0.000 0.490 184 V N -0.799 119.165 119.914 0.083 0.000 3.185 184 V HA 0.626 4.746 4.120 0.000 0.000 0.305 184 V C 0.897 177.060 176.094 0.117 0.000 1.090 184 V CA -0.111 62.266 62.300 0.129 0.000 1.107 184 V CB 1.023 32.965 31.823 0.197 0.000 1.061 184 V HN 0.369 nan 8.190 nan 0.000 0.480 185 T N -0.182 114.435 114.554 0.106 0.000 2.693 185 T HA 0.818 5.168 4.350 0.000 0.000 0.278 185 T C -0.108 174.559 174.700 -0.055 0.000 0.994 185 T CA -0.090 62.030 62.100 0.033 0.000 1.033 185 T CB 1.505 70.394 68.868 0.035 0.000 1.342 185 T HN 1.442 nan 8.240 nan 0.000 0.538 186 T N -1.386 113.123 114.554 -0.076 0.000 2.901 186 T HA 0.825 5.175 4.350 0.000 0.000 0.293 186 T C -1.071 173.651 174.700 0.037 0.000 1.084 186 T CA -1.037 61.012 62.100 -0.085 0.000 1.008 186 T CB 1.963 70.800 68.868 -0.052 0.000 1.170 186 T HN 1.138 nan 8.240 nan 0.000 0.509 187 K N 0.000 120.416 120.400 0.027 0.000 2.466 187 K HA 0.784 5.104 4.320 0.000 0.000 0.260 187 K C -1.648 174.766 176.600 -0.310 0.000 1.011 187 K CA -1.183 54.989 56.287 -0.192 0.000 0.871 187 K CB 1.674 34.029 32.500 -0.242 0.000 1.404 187 K HN 0.828 nan 8.250 nan 0.000 0.450 188 Y N -2.243 117.662 120.300 -0.658 0.000 2.615 188 Y HA 0.637 5.187 4.550 0.000 0.000 0.341 188 Y C -1.815 173.533 175.900 -0.919 0.000 1.089 188 Y CA -1.496 56.088 58.100 -0.860 0.000 1.049 188 Y CB 1.270 38.950 38.460 -1.299 0.000 1.296 188 Y HN 0.543 nan 8.280 nan 0.000 0.470 189 Y N 0.233 120.516 120.300 -0.029 0.000 2.331 189 Y HA 0.527 5.077 4.550 0.000 0.000 0.326 189 Y C -0.141 175.756 175.900 -0.006 0.000 1.020 189 Y CA -1.123 56.954 58.100 -0.038 0.000 1.136 189 Y CB 2.271 40.703 38.460 -0.047 0.000 1.157 189 Y HN 0.696 nan 8.280 nan 0.000 0.444 190 S N 2.034 117.804 115.700 0.117 0.000 2.549 190 S HA 0.370 4.840 4.470 0.000 0.000 0.286 190 S C -0.106 174.525 174.600 0.052 0.000 1.314 190 S CA 0.073 58.295 58.200 0.037 0.000 1.062 190 S CB 0.305 63.514 63.200 0.015 0.000 0.865 190 S HN 0.593 nan 8.310 nan 0.000 0.498 191 T N 2.999 117.571 114.554 0.031 0.000 3.143 191 T HA 0.264 4.614 4.350 0.000 0.000 0.312 191 T C -0.229 174.499 174.700 0.047 0.000 0.986 191 T CA -0.649 61.477 62.100 0.043 0.000 1.024 191 T CB 1.391 70.306 68.868 0.077 0.000 1.030 191 T HN 0.496 nan 8.240 nan 0.000 0.448 192 T N 4.023 118.586 114.554 0.015 0.000 2.918 192 T HA 0.166 4.516 4.350 0.000 0.000 0.302 192 T C 0.823 175.535 174.700 0.020 0.000 1.045 192 T CA -0.308 61.803 62.100 0.018 0.000 1.114 192 T CB 0.088 68.952 68.868 -0.006 0.000 0.965 192 T HN 0.715 nan 8.240 nan 0.000 0.540 193 N N 0.637 119.362 118.700 0.041 0.000 2.727 193 N HA -0.221 4.519 4.740 0.000 0.000 0.249 193 N C 0.677 176.168 175.510 -0.032 0.000 1.048 193 N CA 1.061 54.107 53.050 -0.005 0.000 0.714 193 N CB -1.734 36.720 38.487 -0.055 0.000 0.959 193 N HN 0.952 nan 8.380 nan 0.000 0.544 194 Y N 0.583 120.843 120.300 -0.067 0.000 2.256 194 Y HA -0.216 4.334 4.550 0.000 0.000 0.288 194 Y C 1.827 177.689 175.900 -0.064 0.000 1.155 194 Y CA 1.742 59.805 58.100 -0.063 0.000 1.203 194 Y CB -0.228 38.202 38.460 -0.049 0.000 0.980 194 Y HN 0.203 nan 8.280 nan 0.000 0.530 195 D N 0.664 120.409 120.400 -1.091 0.000 2.264 195 D HA -0.149 4.491 4.640 0.000 0.000 0.208 195 D C 1.471 177.520 176.300 -0.418 0.000 0.966 195 D CA 1.261 54.711 54.000 -0.916 0.000 0.864 195 D CB -0.629 39.687 40.800 -0.807 0.000 0.933 195 D HN 0.563 nan 8.370 nan 0.000 0.499 196 S N -0.301 115.224 115.700 -0.292 0.000 2.572 196 S HA 0.228 4.698 4.470 0.000 0.000 0.228 196 S C 0.612 175.108 174.600 -0.175 0.000 0.963 196 S CA -0.674 57.409 58.200 -0.196 0.000 0.939 196 S CB 0.026 63.140 63.200 -0.144 0.000 0.804 196 S HN 0.013 nan 8.310 nan 0.000 0.480 197 V N 3.565 123.368 119.914 -0.185 0.000 2.529 197 V HA 0.108 4.228 4.120 0.000 0.000 0.292 197 V C 0.407 176.395 176.094 -0.177 0.000 1.028 197 V CA -0.085 62.121 62.300 -0.157 0.000 1.074 197 V CB -0.028 31.722 31.823 -0.122 0.000 0.958 197 V HN 0.538 nan 8.190 nan 0.000 0.481 198 N N 5.188 123.798 118.700 -0.150 0.000 2.518 198 N HA 0.426 5.166 4.740 0.000 0.000 0.283 198 N C -0.665 174.752 175.510 -0.155 0.000 1.119 198 N CA -0.719 52.225 53.050 -0.177 0.000 0.983 198 N CB 0.945 39.371 38.487 -0.101 0.000 1.139 198 N HN 0.449 nan 8.380 nan 0.000 0.465 199 M N 1.415 120.867 119.600 -0.246 0.000 2.364 199 M HA 0.248 4.728 4.480 0.000 0.000 0.334 199 M C -0.425 175.772 176.300 -0.171 0.000 1.107 199 M CA -0.420 54.767 55.300 -0.189 0.000 0.988 199 M CB 1.445 33.893 32.600 -0.253 0.000 1.673 199 M HN 0.309 nan 8.290 nan 0.000 0.441 200 T N 2.464 116.907 114.554 -0.186 0.000 2.770 200 T HA 0.613 4.963 4.350 0.000 0.000 0.297 200 T C 0.036 174.431 174.700 -0.508 0.000 0.997 200 T CA -0.500 61.394 62.100 -0.343 0.000 0.949 200 T CB 0.839 69.437 68.868 -0.450 0.000 0.941 200 T HN 0.694 nan 8.240 nan 0.000 0.457 201 A N 2.791 125.357 122.820 -0.425 0.000 2.328 201 A HA 0.659 4.979 4.320 0.000 0.000 0.284 201 A C 0.076 177.437 177.584 -0.371 0.000 1.160 201 A CA -0.508 51.342 52.037 -0.312 0.000 0.818 201 A CB 0.019 18.867 19.000 -0.253 0.000 1.087 201 A HN 0.891 nan 8.150 nan 0.000 0.504 202 F N 1.220 121.209 119.950 0.065 0.000 2.641 202 F HA 0.239 4.766 4.527 0.000 0.000 0.302 202 F C 0.860 176.711 175.800 0.085 0.000 1.098 202 F CA -0.064 57.974 58.000 0.063 0.000 1.318 202 F CB 0.275 39.295 39.000 0.033 0.000 1.035 202 F HN 0.751 nan 8.300 nan 0.000 0.551 203 C N -2.613 116.826 119.300 0.230 0.000 3.336 203 C HA 0.555 5.015 4.460 0.000 0.000 0.339 203 C C -0.833 174.293 174.990 0.226 0.000 1.468 203 C CA -1.428 57.709 59.018 0.197 0.000 1.287 203 C CB 0.881 28.732 27.740 0.186 0.000 1.682 203 C HN 0.295 nan 8.230 nan 0.000 0.451 204 D N 0.731 121.215 120.400 0.140 0.000 2.382 204 D HA 0.496 5.136 4.640 0.000 0.000 0.240 204 D C -0.377 176.020 176.300 0.162 0.000 1.146 204 D CA 0.249 54.278 54.000 0.047 0.000 0.897 204 D CB 0.521 41.264 40.800 -0.095 0.000 1.197 204 D HN 0.882 nan 8.370 nan 0.000 0.432 205 F N -1.649 118.232 119.950 -0.116 0.000 2.685 205 F HA 0.674 5.201 4.527 0.000 0.000 0.315 205 F C -1.749 173.950 175.800 -0.168 0.000 1.126 205 F CA -1.360 56.631 58.000 -0.014 0.000 0.950 205 F CB 1.043 40.119 39.000 0.127 0.000 1.360 205 F HN 0.183 nan 8.300 nan 0.000 0.469 206 Y N 1.083 121.593 120.300 0.350 0.000 2.633 206 Y HA 0.749 5.299 4.550 0.000 0.000 0.339 206 Y C -0.633 175.537 175.900 0.450 0.000 1.045 206 Y CA -1.415 56.849 58.100 0.273 0.000 1.098 206 Y CB 1.886 40.413 38.460 0.112 0.000 1.296 206 Y HN 0.407 nan 8.280 nan 0.000 0.494 207 I N 3.311 124.227 120.570 0.576 0.000 2.466 207 I HA 0.437 4.607 4.170 0.000 0.000 0.289 207 I C -0.870 175.545 176.117 0.496 0.000 1.026 207 I CA -0.769 60.851 61.300 0.533 0.000 1.078 207 I CB 1.409 39.671 38.000 0.436 0.000 1.249 207 I HN 0.509 nan 8.210 nan 0.000 0.429 208 I N 7.613 128.489 120.570 0.511 0.000 2.499 208 I HA 0.332 4.502 4.170 0.000 0.000 0.288 208 I C -2.375 173.905 176.117 0.272 0.000 1.048 208 I CA -1.908 59.624 61.300 0.386 0.000 1.062 208 I CB 2.901 41.103 38.000 0.336 0.000 1.238 208 I HN 0.238 nan 8.210 nan 0.000 0.426 209 P HA 0.081 nan 4.420 nan 0.000 0.272 209 P C 0.299 177.487 177.300 -0.188 0.000 1.223 209 P CA -0.278 62.507 63.100 -0.526 0.000 0.784 209 P CB 1.036 32.475 31.700 -0.435 0.000 0.923 210 R N 1.655 121.979 120.500 -0.293 0.000 2.127 210 R HA -0.198 4.142 4.340 0.000 0.000 0.238 210 R C 1.574 177.836 176.300 -0.063 0.000 1.134 210 R CA 1.730 57.756 56.100 -0.123 0.000 0.975 210 R CB -0.261 29.855 30.300 -0.307 0.000 0.865 210 R HN 0.406 nan 8.270 nan 0.000 0.447 211 E N 0.424 120.558 120.200 -0.110 0.000 2.209 211 E HA -0.174 4.176 4.350 0.000 0.000 0.196 211 E C 0.632 177.215 176.600 -0.028 0.000 0.993 211 E CA 1.348 57.709 56.400 -0.065 0.000 0.819 211 E CB 0.104 29.763 29.700 -0.068 0.000 0.745 211 E HN 0.454 nan 8.360 nan 0.000 0.477 212 E N 0.049 120.244 120.200 -0.008 0.000 2.423 212 E HA 0.014 4.364 4.350 0.000 0.000 0.198 212 E C 0.832 177.447 176.600 0.025 0.000 1.038 212 E CA -0.167 56.237 56.400 0.007 0.000 1.011 212 E CB 0.280 29.994 29.700 0.022 0.000 1.118 212 E HN 0.258 nan 8.360 nan 0.000 0.451 213 E N 0.877 121.113 120.200 0.061 0.000 2.160 213 E HA -0.231 4.119 4.350 0.000 0.000 0.195 213 E C 1.858 178.432 176.600 -0.045 0.000 0.991 213 E CA 1.618 58.059 56.400 0.068 0.000 0.810 213 E CB 0.126 29.930 29.700 0.173 0.000 0.742 213 E HN 0.260 nan 8.360 nan 0.000 0.466 214 S N -0.767 114.902 115.700 -0.052 0.000 2.399 214 S HA -0.149 4.321 4.470 0.000 0.000 0.231 214 S C 1.989 176.489 174.600 -0.167 0.000 1.022 214 S CA 1.540 59.686 58.200 -0.089 0.000 0.983 214 S CB -0.516 62.640 63.200 -0.072 0.000 0.803 214 S HN 0.219 nan 8.310 nan 0.000 0.480 215 T N 1.128 115.570 114.554 -0.187 0.000 2.812 215 T HA -0.076 4.274 4.350 0.000 0.000 0.264 215 T C 2.088 176.508 174.700 -0.466 0.000 1.042 215 T CA 1.147 63.037 62.100 -0.350 0.000 1.140 215 T CB -0.983 67.743 68.868 -0.238 0.000 0.870 215 T HN 0.643 nan 8.240 nan 0.000 0.445 216 C N 1.700 120.861 119.300 -0.231 0.000 2.413 216 C HA -0.132 4.328 4.460 0.000 0.000 0.276 216 C C 2.965 177.729 174.990 -0.376 0.000 1.236 216 C CA 1.550 60.436 59.018 -0.220 0.000 1.735 216 C CB -1.406 26.145 27.740 -0.315 0.000 2.031 216 C HN 0.559 nan 8.230 nan 0.000 0.474 217 T N 0.090 114.462 114.554 -0.303 0.000 2.788 217 T HA -0.189 4.161 4.350 0.000 0.000 0.268 217 T C 1.623 176.178 174.700 -0.241 0.000 1.044 217 T CA 2.003 63.959 62.100 -0.241 0.000 1.139 217 T CB -0.387 68.454 68.868 -0.046 0.000 0.867 217 T HN 0.708 nan 8.240 nan 0.000 0.454 218 E N 0.435 120.472 120.200 -0.272 0.000 2.077 218 E HA -0.104 4.246 4.350 0.000 0.000 0.193 218 E C 1.725 178.197 176.600 -0.214 0.000 0.989 218 E CA 1.410 57.657 56.400 -0.256 0.000 0.800 218 E CB -0.432 29.067 29.700 -0.335 0.000 0.746 218 E HN 0.739 nan 8.360 nan 0.000 0.452 219 Y N -0.277 119.912 120.300 -0.185 0.000 2.181 219 Y HA -0.167 4.383 4.550 0.000 0.000 0.288 219 Y C 2.123 177.895 175.900 -0.214 0.000 1.146 219 Y CA 0.337 58.323 58.100 -0.191 0.000 1.164 219 Y CB -0.059 38.269 38.460 -0.219 0.000 0.982 219 Y HN 0.120 nan 8.280 nan 0.000 0.515 220 I N 0.389 120.848 120.570 -0.184 0.000 2.226 220 I HA -0.293 3.877 4.170 0.000 0.000 0.245 220 I C 1.707 177.754 176.117 -0.115 0.000 1.100 220 I CA 1.359 62.496 61.300 -0.272 0.000 1.374 220 I CB -1.095 36.498 38.000 -0.678 0.000 1.057 220 I HN 0.365 nan 8.210 nan 0.000 0.413 221 N N 0.777 119.418 118.700 -0.098 0.000 2.270 221 N HA -0.146 4.594 4.740 0.000 0.000 0.181 221 N C 1.484 176.996 175.510 0.003 0.000 1.016 221 N CA 1.084 54.118 53.050 -0.028 0.000 0.870 221 N CB -0.155 38.313 38.487 -0.032 0.000 0.979 221 N HN 0.393 nan 8.380 nan 0.000 0.431 222 N N -0.637 118.064 118.700 0.002 0.000 2.118 222 N HA 0.185 4.925 4.740 0.000 0.000 0.226 222 N C -0.228 175.310 175.510 0.046 0.000 1.305 222 N CA 0.560 53.624 53.050 0.024 0.000 0.890 222 N CB 1.017 39.509 38.487 0.007 0.000 1.118 222 N HN 0.193 nan 8.380 nan 0.000 0.511 223 G N 0.374 109.209 108.800 0.059 0.000 2.707 223 G HA2 -0.165 3.795 3.960 0.000 0.000 0.686 223 G HA3 -0.165 3.795 3.960 0.000 0.000 0.686 223 G C -0.636 174.320 174.900 0.094 0.000 1.315 223 G CA -0.379 44.751 45.100 0.051 0.000 0.832 223 G HN 0.171 nan 8.290 nan 0.000 0.573 251 N N -0.056 118.636 118.700 -0.013 0.000 5.235 251 N HA 0.079 4.819 4.740 0.000 0.000 0.135 251 N C -1.406 174.096 175.510 -0.013 0.000 1.242 251 N CA 0.714 53.756 53.050 -0.014 0.000 1.148 251 N CB -0.299 38.181 38.487 -0.012 0.000 1.617 251 N HN 0.887 nan 8.380 nan 0.000 0.953 252 E N 0.780 120.972 120.200 -0.014 0.000 2.408 252 E HA 0.508 4.858 4.350 0.000 0.000 0.275 252 E C -1.593 174.997 176.600 -0.016 0.000 0.935 252 E CA -0.572 55.820 56.400 -0.014 0.000 0.775 252 E CB 1.414 31.106 29.700 -0.012 0.000 1.277 252 E HN 0.272 nan 8.360 nan 0.000 0.455 253 D N 1.590 121.981 120.400 -0.015 0.000 2.375 253 D HA 0.530 5.170 4.640 0.000 0.000 0.247 253 D C -0.800 175.491 176.300 -0.015 0.000 1.061 253 D CA -0.134 53.855 54.000 -0.017 0.000 0.834 253 D CB 1.372 42.162 40.800 -0.018 0.000 1.247 253 D HN 0.277 nan 8.370 nan 0.000 0.489 254 I N 1.041 121.602 120.570 -0.014 0.000 2.769 254 I HA 0.309 4.479 4.170 0.000 0.000 0.298 254 I C -0.524 175.587 176.117 -0.011 0.000 1.128 254 I CA -1.243 60.050 61.300 -0.012 0.000 1.031 254 I CB 2.360 40.355 38.000 -0.009 0.000 1.235 254 I HN -0.044 nan 8.210 nan 0.000 0.423 255 V N 5.760 125.667 119.914 -0.011 0.000 2.546 255 V HA 0.176 4.296 4.120 0.000 0.000 0.284 255 V C 0.627 176.718 176.094 -0.004 0.000 1.050 255 V CA -0.070 62.224 62.300 -0.010 0.000 0.981 255 V CB 1.647 33.462 31.823 -0.013 0.000 0.990 255 V HN 0.626 nan 8.190 nan 0.000 0.474 256 V N 2.630 122.545 119.914 0.001 0.000 3.484 256 V HA 0.231 4.351 4.120 0.000 0.000 0.252 256 V C 0.633 176.734 176.094 0.012 0.000 1.282 256 V CA 0.590 62.896 62.300 0.009 0.000 1.104 256 V CB 1.033 32.866 31.823 0.016 0.000 0.868 256 V HN 0.816 nan 8.190 nan 0.000 0.457 257 S N -0.789 114.917 115.700 0.011 0.000 2.618 257 S HA 0.554 5.024 4.470 0.000 0.000 0.277 257 S C -0.852 173.748 174.600 0.001 0.000 1.138 257 S CA -0.775 57.433 58.200 0.014 0.000 0.844 257 S CB 2.541 65.761 63.200 0.033 0.000 1.127 257 S HN 0.211 nan 8.310 nan 0.000 0.474 258 K N 0.878 121.275 120.400 -0.006 0.000 2.090 258 K HA 0.475 4.795 4.320 0.000 0.000 0.249 258 K C -0.277 176.323 176.600 -0.000 0.000 0.995 258 K CA -0.624 55.648 56.287 -0.025 0.000 0.914 258 K CB 0.529 32.989 32.500 -0.068 0.000 1.057 258 K HN 0.479 nan 8.250 nan 0.000 0.462 259 T N 1.497 116.047 114.554 -0.006 0.000 2.934 259 T HA 0.032 4.382 4.350 0.000 0.000 0.306 259 T C 0.253 174.988 174.700 0.057 0.000 1.042 259 T CA 0.091 62.208 62.100 0.029 0.000 1.145 259 T CB 0.476 69.358 68.868 0.022 0.000 0.982 259 T HN 0.469 nan 8.240 nan 0.000 0.544 260 S N 1.928 117.699 115.700 0.118 0.000 2.589 260 S HA 0.692 5.162 4.470 0.000 0.000 0.272 260 S C -0.446 174.252 174.600 0.163 0.000 1.096 260 S CA -0.941 57.340 58.200 0.135 0.000 0.985 260 S CB 0.496 63.779 63.200 0.139 0.000 1.278 260 S HN 0.519 nan 8.310 nan 0.000 0.528 261 L N 1.217 122.497 121.223 0.096 0.000 2.471 261 L HA 0.420 4.760 4.340 0.000 0.000 0.263 261 L C -2.035 174.829 176.870 -0.010 0.000 0.985 261 L CA -0.186 54.711 54.840 0.096 0.000 0.868 261 L CB 1.021 43.126 42.059 0.077 0.000 1.203 261 L HN 0.579 nan 8.230 nan 0.000 0.429 262 W N 3.826 125.143 121.300 0.028 0.000 2.429 262 W HA 0.517 5.177 4.660 0.000 0.000 0.314 262 W C 0.095 176.640 176.519 0.043 0.000 1.062 262 W CA -0.688 56.688 57.345 0.051 0.000 1.211 262 W CB 1.475 30.959 29.460 0.040 0.000 1.305 262 W HN 0.269 nan 8.180 nan 0.000 0.476 263 K N 1.304 121.832 120.400 0.214 0.000 2.203 263 K HA 0.641 4.961 4.320 0.000 0.000 0.251 263 K C -0.603 176.099 176.600 0.169 0.000 0.944 263 K CA -0.927 55.443 56.287 0.138 0.000 0.829 263 K CB 2.097 34.634 32.500 0.061 0.000 1.125 263 K HN 0.296 nan 8.250 nan 0.000 0.430 264 E N 1.942 122.215 120.200 0.122 0.000 2.331 264 E HA 0.201 4.551 4.350 0.000 0.000 0.272 264 E C -0.655 175.976 176.600 0.052 0.000 1.036 264 E CA -0.115 56.356 56.400 0.118 0.000 0.864 264 E CB 0.834 30.584 29.700 0.082 0.000 1.035 264 E HN 0.409 nan 8.360 nan 0.000 0.408 265 M N 2.313 121.935 119.600 0.036 0.000 2.464 265 M HA 0.276 4.756 4.480 0.000 0.000 0.308 265 M C -1.023 175.127 176.300 -0.249 0.000 1.127 265 M CA -0.615 54.587 55.300 -0.162 0.000 0.913 265 M CB 2.051 34.490 32.600 -0.267 0.000 1.689 265 M HN 0.490 nan 8.290 nan 0.000 0.445 266 Q N 1.864 121.464 119.800 -0.334 0.000 2.322 266 Q HA 0.492 4.832 4.340 0.000 0.000 0.265 266 Q C -2.049 173.732 176.000 -0.365 0.000 0.985 266 Q CA -0.387 55.288 55.803 -0.214 0.000 0.849 266 Q CB 1.565 30.249 28.738 -0.089 0.000 1.274 266 Q HN 0.591 nan 8.270 nan 0.000 0.449 267 Y N 2.603 122.943 120.300 0.067 0.000 2.334 267 Y HA 0.394 4.944 4.550 0.000 0.000 0.336 267 Y C -0.284 175.676 175.900 0.100 0.000 0.960 267 Y CA -1.018 57.128 58.100 0.077 0.000 1.164 267 Y CB 1.272 39.782 38.460 0.083 0.000 1.155 267 Y HN 0.528 nan 8.280 nan 0.000 0.478 268 N N 5.141 123.954 118.700 0.187 0.000 2.421 268 N HA 0.533 5.273 4.740 0.000 0.000 0.285 268 N C -0.332 175.284 175.510 0.176 0.000 1.027 268 N CA -0.543 52.603 53.050 0.159 0.000 0.918 268 N CB 1.427 39.967 38.487 0.089 0.000 1.152 268 N HN 0.606 nan 8.380 nan 0.000 0.485 269 R N 0.660 121.281 120.500 0.202 0.000 2.747 269 R HA 0.394 4.734 4.340 0.000 0.000 0.272 269 R C -1.310 175.098 176.300 0.180 0.000 1.032 269 R CA -0.675 55.530 56.100 0.174 0.000 0.896 269 R CB 1.088 31.488 30.300 0.167 0.000 1.253 269 R HN 0.443 nan 8.270 nan 0.000 0.461 270 D N 0.709 121.197 120.400 0.146 0.000 2.268 270 D HA 0.588 5.228 4.640 0.000 0.000 0.249 270 D C -0.229 176.159 176.300 0.147 0.000 1.008 270 D CA -0.367 53.716 54.000 0.138 0.000 0.939 270 D CB 1.836 42.706 40.800 0.116 0.000 1.170 270 D HN 0.287 nan 8.370 nan 0.000 0.468 271 I N -0.793 119.838 120.570 0.101 0.000 2.994 271 I HA 0.358 4.528 4.170 0.000 0.000 0.306 271 I C -1.287 174.762 176.117 -0.114 0.000 1.195 271 I CA -0.361 60.970 61.300 0.052 0.000 1.001 271 I CB 2.353 40.309 38.000 -0.073 0.000 1.244 271 I HN 0.150 nan 8.210 nan 0.000 0.437 272 T N 6.710 121.056 114.554 -0.347 0.000 2.965 272 T HA 0.523 4.873 4.350 0.000 0.000 0.306 272 T C -0.612 173.941 174.700 -0.246 0.000 0.991 272 T CA -0.175 61.610 62.100 -0.525 0.000 1.001 272 T CB 0.687 68.928 68.868 -1.044 0.000 0.984 272 T HN 0.262 nan 8.240 nan 0.000 0.446 273 I N 3.636 124.126 120.570 -0.134 0.000 2.307 273 I HA 0.437 4.607 4.170 0.000 0.000 0.289 273 I C 0.442 176.594 176.117 0.060 0.000 1.021 273 I CA -0.600 60.758 61.300 0.095 0.000 1.224 273 I CB 0.908 38.883 38.000 -0.042 0.000 1.376 273 I HN 0.246 nan 8.210 nan 0.000 0.470 274 R N 6.616 127.046 120.500 -0.117 0.000 2.514 274 R HA 0.765 5.105 4.340 0.000 0.000 0.301 274 R C -1.096 175.248 176.300 0.074 0.000 0.962 274 R CA -0.532 55.333 56.100 -0.392 0.000 0.882 274 R CB 1.764 31.314 30.300 -1.250 0.000 1.143 274 R HN 0.568 nan 8.270 nan 0.000 0.452 275 F N -0.576 119.320 119.950 -0.090 0.000 2.741 275 F HA 0.609 5.136 4.527 0.000 0.000 0.313 275 F C -1.556 174.174 175.800 -0.116 0.000 1.153 275 F CA -1.280 56.708 58.000 -0.021 0.000 0.931 275 F CB 1.347 40.355 39.000 0.013 0.000 1.335 275 F HN 0.369 nan 8.300 nan 0.000 0.460 276 K N 0.316 120.736 120.400 0.033 0.000 2.555 276 K HA 0.644 4.964 4.320 0.000 0.000 0.279 276 K C -2.137 174.484 176.600 0.035 0.000 0.986 276 K CA -0.749 55.508 56.287 -0.051 0.000 0.880 276 K CB 2.328 34.765 32.500 -0.105 0.000 1.474 276 K HN 0.610 nan 8.250 nan 0.000 0.433 277 F N 0.396 120.523 119.950 0.294 0.000 2.375 277 F HA 0.709 5.237 4.527 0.000 0.000 0.317 277 F C 0.427 176.357 175.800 0.217 0.000 1.124 277 F CA -0.310 57.871 58.000 0.301 0.000 1.050 277 F CB 1.760 40.982 39.000 0.370 0.000 1.314 277 F HN 0.788 nan 8.300 nan 0.000 0.511 278 A N 0.064 123.155 122.820 0.450 0.000 2.515 278 A HA 0.840 5.160 4.320 0.000 0.000 0.296 278 A C -1.293 176.422 177.584 0.218 0.000 1.094 278 A CA -0.576 51.620 52.037 0.265 0.000 0.718 278 A CB 1.437 20.556 19.000 0.199 0.000 1.307 278 A HN 0.604 nan 8.150 nan 0.000 0.408 279 S N -0.291 115.461 115.700 0.088 0.000 2.595 279 S HA 0.787 5.257 4.470 0.000 0.000 0.281 279 S C -0.620 173.974 174.600 -0.009 0.000 1.117 279 S CA -0.593 57.592 58.200 -0.026 0.000 0.873 279 S CB 1.775 64.879 63.200 -0.160 0.000 1.108 279 S HN 1.177 nan 8.310 nan 0.000 0.477 280 S N 1.231 116.912 115.700 -0.031 0.000 2.605 280 S HA 0.684 5.154 4.470 0.000 0.000 0.308 280 S C -1.252 173.338 174.600 -0.016 0.000 1.113 280 S CA -0.659 57.543 58.200 0.004 0.000 1.049 280 S CB -0.021 63.200 63.200 0.036 0.000 1.001 280 S HN 0.593 nan 8.310 nan 0.000 0.480 281 I N 5.115 125.689 120.570 0.007 0.000 2.411 281 I HA 0.422 4.592 4.170 0.000 0.000 0.284 281 I C -0.956 175.237 176.117 0.127 0.000 1.012 281 I CA -0.855 60.475 61.300 0.049 0.000 1.119 281 I CB 1.930 39.916 38.000 -0.023 0.000 1.261 281 I HN 0.308 nan 8.210 nan 0.000 0.448 282 V N 6.398 126.400 119.914 0.148 0.000 2.417 282 V HA 0.353 4.473 4.120 0.000 0.000 0.291 282 V C 0.085 176.232 176.094 0.088 0.000 1.024 282 V CA -0.793 61.567 62.300 0.101 0.000 0.861 282 V CB 1.842 33.708 31.823 0.073 0.000 0.985 282 V HN 0.627 nan 8.190 nan 0.000 0.436 283 K N 2.376 122.737 120.400 -0.066 0.000 2.098 283 K HA 0.512 4.832 4.320 0.000 0.000 0.261 283 K C 0.158 176.657 176.600 -0.168 0.000 0.987 283 K CA -0.296 55.792 56.287 -0.332 0.000 0.916 283 K CB 1.136 33.295 32.500 -0.568 0.000 1.039 283 K HN 0.709 nan 8.250 nan 0.000 0.455 284 S N 0.641 116.246 115.700 -0.158 0.000 2.601 284 S HA 0.301 4.771 4.470 0.000 0.000 0.271 284 S C 0.064 174.638 174.600 -0.044 0.000 1.305 284 S CA -0.693 57.477 58.200 -0.050 0.000 1.022 284 S CB 1.367 64.566 63.200 -0.002 0.000 0.940 284 S HN 0.761 nan 8.310 nan 0.000 0.525 285 G N 0.252 109.063 108.800 0.018 0.000 2.572 285 G HA2 0.569 4.529 3.960 0.000 0.000 0.261 285 G HA3 0.569 4.529 3.960 0.000 0.000 0.261 285 G C 0.462 175.440 174.900 0.131 0.000 1.197 285 G CA 0.173 45.313 45.100 0.066 0.000 0.870 285 G HN 1.169 nan 8.290 nan 0.000 0.548 286 G N -0.824 108.076 108.800 0.167 0.000 2.295 286 G HA2 -0.146 3.814 3.960 0.000 0.000 0.195 286 G HA3 -0.146 3.814 3.960 0.000 0.000 0.195 286 G C 0.919 175.844 174.900 0.042 0.000 1.269 286 G CA 0.002 45.231 45.100 0.215 0.000 1.170 286 G HN 1.119 nan 8.290 nan 0.000 0.511 287 L N 1.095 122.309 121.223 -0.016 0.000 2.191 287 L HA 0.271 4.611 4.340 0.000 0.000 0.212 287 L C 2.191 179.044 176.870 -0.028 0.000 1.103 287 L CA 2.402 57.222 54.840 -0.033 0.000 0.769 287 L CB -0.415 41.646 42.059 0.003 0.000 0.908 287 L HN 2.318 nan 8.230 nan 0.000 0.438 288 G N -2.422 106.362 108.800 -0.027 0.000 2.168 288 G HA2 -0.304 3.656 3.960 0.000 0.000 0.197 288 G HA3 -0.304 3.656 3.960 0.000 0.000 0.197 288 G C 0.242 175.024 174.900 -0.198 0.000 0.997 288 G CA 0.126 45.115 45.100 -0.185 0.000 0.658 288 G HN 0.362 nan 8.290 nan 0.000 0.513 289 Y N 0.733 121.061 120.300 0.048 0.000 2.449 289 Y HA 0.355 4.905 4.550 0.000 0.000 0.254 289 Y C 1.184 177.331 175.900 0.412 0.000 1.140 289 Y CA 0.294 58.566 58.100 0.286 0.000 1.272 289 Y CB 0.626 39.235 38.460 0.247 0.000 1.114 289 Y HN 0.007 nan 8.280 nan 0.000 0.525 290 K N 0.219 120.796 120.400 0.296 0.000 2.206 290 K HA 0.190 4.510 4.320 0.000 0.000 0.264 290 K C -0.969 175.716 176.600 0.142 0.000 0.967 290 K CA -0.321 56.129 56.287 0.272 0.000 0.844 290 K CB 1.498 34.096 32.500 0.163 0.000 1.099 290 K HN 0.092 nan 8.250 nan 0.000 0.441 291 W N 1.374 122.745 121.300 0.118 0.000 2.573 291 W HA 0.070 4.730 4.660 0.000 0.000 0.326 291 W C 1.104 177.669 176.519 0.076 0.000 1.049 291 W CA -0.521 56.907 57.345 0.138 0.000 1.220 291 W CB 2.095 31.687 29.460 0.221 0.000 1.373 291 W HN 0.702 nan 8.180 nan 0.000 0.507 292 S N 1.062 116.894 115.700 0.219 0.000 2.468 292 S HA 0.136 4.606 4.470 0.000 0.000 0.226 292 S C 0.076 174.770 174.600 0.156 0.000 1.051 292 S CA 0.273 58.558 58.200 0.142 0.000 0.943 292 S CB 0.496 63.742 63.200 0.076 0.000 0.810 292 S HN 0.553 nan 8.310 nan 0.000 0.509 293 E N -0.027 120.284 120.200 0.185 0.000 2.372 293 E HA 0.596 4.946 4.350 0.000 0.000 0.279 293 E C -1.713 174.975 176.600 0.147 0.000 0.946 293 E CA -0.519 55.971 56.400 0.150 0.000 0.769 293 E CB 2.345 32.105 29.700 0.100 0.000 1.230 293 E HN 0.198 nan 8.360 nan 0.000 0.442 294 I N 2.337 122.968 120.570 0.102 0.000 2.503 294 I HA 0.285 4.455 4.170 0.000 0.000 0.282 294 I C -0.755 175.323 176.117 -0.064 0.000 1.059 294 I CA -0.471 60.824 61.300 -0.007 0.000 1.081 294 I CB 1.442 39.412 38.000 -0.050 0.000 1.210 294 I HN 0.520 nan 8.210 nan 0.000 0.450 295 S N 4.372 120.014 115.700 -0.095 0.000 2.627 295 S HA 0.691 5.161 4.470 0.000 0.000 0.283 295 S C -0.745 173.784 174.600 -0.119 0.000 1.127 295 S CA -0.802 57.353 58.200 -0.076 0.000 0.863 295 S CB 1.798 65.031 63.200 0.054 0.000 1.121 295 S HN 0.245 nan 8.310 nan 0.000 0.479 296 F N 1.798 121.774 119.950 0.042 0.000 2.418 296 F HA 0.531 5.058 4.527 0.000 0.000 0.341 296 F C 0.825 176.689 175.800 0.106 0.000 1.120 296 F CA 0.074 58.122 58.000 0.080 0.000 1.232 296 F CB 1.078 40.141 39.000 0.105 0.000 1.175 296 F HN 0.780 nan 8.300 nan 0.000 0.569 297 K N 2.397 122.997 120.400 0.334 0.000 2.477 297 K HA 0.642 4.962 4.320 0.000 0.000 0.255 297 K C -3.304 173.447 176.600 0.251 0.000 0.952 297 K CA -2.234 54.194 56.287 0.236 0.000 0.826 297 K CB 1.975 34.570 32.500 0.158 0.000 1.331 297 K HN 0.113 nan 8.250 nan 0.000 0.437 298 P HA 0.107 nan 4.420 nan 0.000 0.269 298 P C -1.319 176.085 177.300 0.173 0.000 1.209 298 P CA -0.269 62.939 63.100 0.181 0.000 0.776 298 P CB 0.944 32.726 31.700 0.136 0.000 0.876 299 A N 2.446 125.373 122.820 0.178 0.000 2.422 299 A HA 0.577 4.897 4.320 0.000 0.000 0.302 299 A C -0.808 176.881 177.584 0.176 0.000 1.041 299 A CA -0.615 51.526 52.037 0.172 0.000 0.708 299 A CB 0.952 20.070 19.000 0.196 0.000 1.257 299 A HN 0.428 nan 8.150 nan 0.000 0.414 300 N N 0.399 119.196 118.700 0.161 0.000 2.492 300 N HA 0.646 5.386 4.740 0.000 0.000 0.289 300 N C -1.432 174.238 175.510 0.267 0.000 1.133 300 N CA 0.037 53.187 53.050 0.168 0.000 0.961 300 N CB 1.472 40.000 38.487 0.068 0.000 1.186 300 N HN 0.648 nan 8.380 nan 0.000 0.493 301 Y N 0.207 120.581 120.300 0.122 0.000 2.513 301 Y HA 0.257 4.807 4.550 0.000 0.000 0.340 301 Y C -1.377 174.646 175.900 0.204 0.000 1.055 301 Y CA -0.810 57.383 58.100 0.155 0.000 1.020 301 Y CB 1.364 39.933 38.460 0.182 0.000 1.301 301 Y HN 0.548 nan 8.280 nan 0.000 0.453 302 Q N 4.911 124.425 119.800 -0.477 0.000 2.397 302 Q HA 0.753 5.093 4.340 0.000 0.000 0.275 302 Q C -1.940 173.825 176.000 -0.390 0.000 1.090 302 Q CA -0.893 54.747 55.803 -0.271 0.000 0.809 302 Q CB 3.296 31.911 28.738 -0.206 0.000 1.362 302 Q HN 0.712 nan 8.270 nan 0.000 0.431 303 Y N -2.680 117.452 120.300 -0.279 0.000 2.779 303 Y HA 0.766 5.316 4.550 0.000 0.000 0.340 303 Y C -1.437 174.445 175.900 -0.029 0.000 1.252 303 Y CA -0.984 56.992 58.100 -0.206 0.000 1.072 303 Y CB 1.622 39.945 38.460 -0.228 0.000 1.343 303 Y HN 0.771 nan 8.280 nan 0.000 0.450 304 T N 0.922 115.566 114.554 0.151 0.000 2.900 304 T HA 0.742 5.092 4.350 0.000 0.000 0.295 304 T C -1.916 172.958 174.700 0.289 0.000 1.044 304 T CA -0.504 61.635 62.100 0.066 0.000 0.995 304 T CB 1.112 69.974 68.868 -0.011 0.000 1.072 304 T HN 1.001 nan 8.240 nan 0.000 0.473 305 Y N -0.576 119.752 120.300 0.047 0.000 2.625 305 Y HA 0.752 5.302 4.550 0.000 0.000 0.338 305 Y C -0.728 175.190 175.900 0.029 0.000 1.123 305 Y CA -1.126 57.019 58.100 0.076 0.000 1.046 305 Y CB 0.994 39.539 38.460 0.143 0.000 1.299 305 Y HN 0.482 nan 8.280 nan 0.000 0.464 306 T N 3.251 117.903 114.554 0.164 0.000 2.859 306 T HA 0.660 5.010 4.350 0.000 0.000 0.281 306 T C -0.990 173.771 174.700 0.103 0.000 1.005 306 T CA -1.008 61.116 62.100 0.039 0.000 1.025 306 T CB 0.960 69.856 68.868 0.047 0.000 0.977 306 T HN 0.808 nan 8.240 nan 0.000 0.458 307 R N 1.700 122.213 120.500 0.022 0.000 2.510 307 R HA 0.413 4.753 4.340 0.000 0.000 0.287 307 R C -1.345 174.971 176.300 0.026 0.000 1.084 307 R CA -0.695 55.446 56.100 0.068 0.000 0.934 307 R CB 0.742 31.108 30.300 0.111 0.000 1.201 307 R HN 0.550 nan 8.270 nan 0.000 0.431 308 D N 2.700 123.123 120.400 0.039 0.000 2.704 308 D HA -0.204 4.436 4.640 0.000 0.000 0.232 308 D C 1.029 177.334 176.300 0.009 0.000 1.183 308 D CA 2.435 56.451 54.000 0.027 0.000 0.647 308 D CB -0.944 39.876 40.800 0.032 0.000 1.013 308 D HN 1.158 nan 8.370 nan 0.000 0.415 309 G N 0.376 109.178 108.800 0.005 0.000 2.267 309 G HA2 -0.345 3.615 3.960 0.000 0.000 0.257 309 G HA3 -0.345 3.615 3.960 0.000 0.000 0.257 309 G C 0.088 174.971 174.900 -0.028 0.000 0.998 309 G CA 0.847 45.943 45.100 -0.008 0.000 0.620 309 G HN 0.835 nan 8.290 nan 0.000 0.529 310 E N 1.043 121.215 120.200 -0.046 0.000 2.249 310 E HA 0.582 4.932 4.350 0.000 0.000 0.280 310 E C -0.598 175.927 176.600 -0.124 0.000 1.016 310 E CA -0.794 55.556 56.400 -0.083 0.000 0.830 310 E CB 1.219 30.861 29.700 -0.097 0.000 1.081 310 E HN 0.300 nan 8.360 nan 0.000 0.395 311 E N 2.878 122.999 120.200 -0.132 0.000 2.130 311 E HA 0.191 4.541 4.350 0.000 0.000 0.284 311 E C -0.723 175.722 176.600 -0.258 0.000 1.018 311 E CA -0.521 55.783 56.400 -0.161 0.000 0.817 311 E CB 1.809 31.444 29.700 -0.108 0.000 1.078 311 E HN 0.337 nan 8.360 nan 0.000 0.396 312 V N 3.459 123.124 119.914 -0.415 0.000 2.398 312 V HA 0.207 4.327 4.120 0.000 0.000 0.286 312 V C 0.353 176.143 176.094 -0.507 0.000 1.026 312 V CA -0.535 61.431 62.300 -0.558 0.000 0.868 312 V CB 1.744 33.017 31.823 -0.917 0.000 0.982 312 V HN 0.568 nan 8.190 nan 0.000 0.443 313 T N 4.745 119.036 114.554 -0.438 0.000 2.767 313 T HA 0.723 5.073 4.350 0.000 0.000 0.284 313 T C 0.040 174.413 174.700 -0.546 0.000 0.973 313 T CA -0.138 61.734 62.100 -0.380 0.000 0.996 313 T CB 1.359 70.085 68.868 -0.236 0.000 0.927 313 T HN 0.950 nan 8.240 nan 0.000 0.456 314 A N 3.502 125.940 122.820 -0.635 0.000 2.413 314 A HA 0.768 5.088 4.320 0.000 0.000 0.307 314 A C -1.106 176.197 177.584 -0.468 0.000 1.087 314 A CA -0.765 50.815 52.037 -0.762 0.000 0.750 314 A CB 1.139 19.629 19.000 -0.849 0.000 1.296 314 A HN 0.986 nan 8.150 nan 0.000 0.423 315 H N -0.033 118.850 119.070 -0.311 0.000 2.600 315 H HA 0.651 5.207 4.556 0.000 0.000 0.357 315 H C -0.439 174.910 175.328 0.035 0.000 1.106 315 H CA -0.428 55.565 56.048 -0.091 0.000 1.193 315 H CB 2.275 32.017 29.762 -0.033 0.000 1.594 315 H HN 0.827 nan 8.280 nan 0.000 0.526 316 T N 0.175 114.927 114.554 0.330 0.000 2.906 316 T HA 0.502 4.852 4.350 0.000 0.000 0.295 316 T C -0.447 174.427 174.700 0.290 0.000 1.061 316 T CA -0.895 61.427 62.100 0.371 0.000 1.000 316 T CB 2.122 71.309 68.868 0.531 0.000 1.103 316 T HN 0.454 nan 8.240 nan 0.000 0.486 317 T N 1.272 115.976 114.554 0.250 0.000 2.879 317 T HA 0.526 4.876 4.350 0.000 0.000 0.290 317 T C -0.893 173.915 174.700 0.181 0.000 0.993 317 T CA -0.597 61.618 62.100 0.191 0.000 0.975 317 T CB 0.928 69.879 68.868 0.137 0.000 0.981 317 T HN 1.039 nan 8.240 nan 0.000 0.439 318 C N 4.850 124.247 119.300 0.161 0.000 2.303 318 C HA 0.884 5.344 4.460 0.000 0.000 0.326 318 C C 0.255 175.320 174.990 0.125 0.000 1.285 318 C CA -0.228 58.843 59.018 0.087 0.000 1.675 318 C CB -1.085 26.672 27.740 0.029 0.000 2.289 318 C HN 1.006 nan 8.230 nan 0.000 0.512 319 S N 4.857 120.648 115.700 0.151 0.000 2.627 319 S HA 0.855 5.325 4.470 0.000 0.000 0.283 319 S C -0.692 174.038 174.600 0.216 0.000 1.127 319 S CA -0.404 57.918 58.200 0.203 0.000 0.863 319 S CB 1.201 64.520 63.200 0.199 0.000 1.121 319 S HN 1.801 nan 8.310 nan 0.000 0.479 320 V N -0.502 119.517 119.914 0.174 0.000 2.960 320 V HA 0.907 5.027 4.120 0.000 0.000 0.315 320 V C -0.871 175.326 176.094 0.172 0.000 1.087 320 V CA -0.720 61.625 62.300 0.075 0.000 0.982 320 V CB 1.545 33.219 31.823 -0.249 0.000 1.039 320 V HN 1.042 nan 8.190 nan 0.000 0.437 321 N N 0.483 119.289 118.700 0.177 0.000 2.329 321 N HA 0.669 5.409 4.740 0.000 0.000 0.282 321 N C 0.314 175.919 175.510 0.157 0.000 1.198 321 N CA 0.508 53.706 53.050 0.247 0.000 0.790 321 N CB 2.077 40.864 38.487 0.500 0.000 1.579 321 N HN 1.830 nan 8.380 nan 0.000 0.475 322 G N 1.315 110.198 108.800 0.140 0.000 2.160 322 G HA2 -0.235 3.725 3.960 0.000 0.000 0.251 322 G HA3 -0.235 3.725 3.960 0.000 0.000 0.251 322 G C 0.437 175.368 174.900 0.051 0.000 1.008 322 G CA 0.809 45.961 45.100 0.086 0.000 0.724 322 G HN 0.647 nan 8.290 nan 0.000 0.514 323 M N -0.716 118.925 119.600 0.067 0.000 2.198 323 M HA 0.403 4.883 4.480 0.000 0.000 0.315 323 M C -0.085 176.277 176.300 0.103 0.000 1.134 323 M CA 0.081 55.426 55.300 0.075 0.000 1.171 323 M CB 0.104 32.782 32.600 0.131 0.000 1.413 323 M HN 0.081 nan 8.290 nan 0.000 0.467 324 N N 1.317 120.091 118.700 0.123 0.000 2.362 324 N HA 0.321 5.061 4.740 0.000 0.000 0.298 324 N C -1.456 174.179 175.510 0.207 0.000 1.048 324 N CA -0.499 52.664 53.050 0.190 0.000 0.858 324 N CB 1.463 40.142 38.487 0.321 0.000 1.218 324 N HN 0.542 nan 8.380 nan 0.000 0.488 325 D N 1.806 122.318 120.400 0.187 0.000 2.347 325 D HA 0.305 4.945 4.640 0.000 0.000 0.235 325 D C -0.307 176.092 176.300 0.165 0.000 1.149 325 D CA 0.157 54.231 54.000 0.124 0.000 0.850 325 D CB 0.519 41.356 40.800 0.061 0.000 1.061 325 D HN 0.223 nan 8.370 nan 0.000 0.487 326 F N 1.586 121.300 119.950 -0.394 0.000 2.518 326 F HA 0.440 4.967 4.527 0.000 0.000 0.338 326 F C 0.748 176.241 175.800 -0.511 0.000 1.065 326 F CA -1.144 56.528 58.000 -0.547 0.000 1.012 326 F CB 1.129 39.498 39.000 -1.053 0.000 1.297 326 F HN 0.278 nan 8.300 nan 0.000 0.489 327 N N -0.557 118.101 118.700 -0.070 0.000 2.710 327 N HA 0.492 5.232 4.740 0.000 0.000 0.257 327 N C -2.208 173.479 175.510 0.295 0.000 1.327 327 N CA -0.700 52.428 53.050 0.129 0.000 0.861 327 N CB 1.831 40.332 38.487 0.023 0.000 1.532 327 N HN 0.352 nan 8.380 nan 0.000 0.499 328 F N 1.501 121.525 119.950 0.124 0.000 2.507 328 F HA 0.562 5.089 4.527 0.000 0.000 0.328 328 F C -1.171 174.561 175.800 -0.113 0.000 1.136 328 F CA -0.897 57.109 58.000 0.010 0.000 0.930 328 F CB 1.496 40.443 39.000 -0.089 0.000 1.166 328 F HN 0.717 nan 8.300 nan 0.000 0.436 329 N N 3.805 121.915 118.700 -0.984 0.000 2.707 329 N HA 0.290 5.030 4.740 0.000 0.000 0.235 329 N C 0.752 175.677 175.510 -0.976 0.000 1.028 329 N CA 0.011 52.606 53.050 -0.758 0.000 0.906 329 N CB 1.306 39.562 38.487 -0.385 0.000 1.131 329 N HN 0.824 nan 8.380 nan 0.000 0.509 330 G N 0.839 109.082 108.800 -0.929 0.000 2.744 330 G HA2 0.386 4.346 3.960 0.000 0.000 0.211 330 G HA3 0.386 4.346 3.960 0.000 0.000 0.211 330 G C 0.562 175.367 174.900 -0.160 0.000 1.143 330 G CA 0.341 45.204 45.100 -0.396 0.000 0.788 330 G HN 0.847 nan 8.290 nan 0.000 0.534 331 G N -1.408 107.279 108.800 -0.188 0.000 2.347 331 G HA2 0.335 4.295 3.960 0.000 0.000 0.321 331 G HA3 0.335 4.295 3.960 0.000 0.000 0.321 331 G C 0.429 175.272 174.900 -0.095 0.000 1.412 331 G CA 0.385 45.420 45.100 -0.109 0.000 0.990 331 G HN 0.775 nan 8.290 nan 0.000 0.637 332 S N -0.933 114.720 115.700 -0.079 0.000 2.575 332 S HA 0.387 4.857 4.470 0.000 0.000 0.215 332 S C 0.944 175.511 174.600 -0.056 0.000 0.966 332 S CA 0.366 58.522 58.200 -0.074 0.000 0.911 332 S CB 0.119 63.273 63.200 -0.077 0.000 0.780 332 S HN 1.176 nan 8.310 nan 0.000 0.514 333 L N 2.244 123.430 121.223 -0.061 0.000 2.436 333 L HA 0.423 4.763 4.340 0.000 0.000 0.265 333 L C -1.854 174.945 176.870 -0.118 0.000 1.168 333 L CA -1.825 52.965 54.840 -0.082 0.000 0.815 333 L CB 0.715 42.721 42.059 -0.088 0.000 1.109 333 L HN -0.103 nan 8.230 nan 0.000 0.462 334 P HA -0.136 nan 4.420 nan 0.000 0.217 334 P C 0.810 177.857 177.300 -0.421 0.000 1.148 334 P CA 1.715 64.562 63.100 -0.420 0.000 0.828 334 P CB -0.056 31.085 31.700 -0.932 0.000 0.783 335 T N -5.508 108.728 114.554 -0.530 0.000 3.144 335 T HA 0.104 4.454 4.350 0.000 0.000 0.249 335 T C 0.301 174.595 174.700 -0.677 0.000 1.089 335 T CA -0.232 61.239 62.100 -1.048 0.000 0.989 335 T CB -0.485 67.984 68.868 -0.665 0.000 0.992 335 T HN -0.080 nan 8.240 nan 0.000 0.540 336 D N 1.849 122.106 120.400 -0.239 0.000 2.225 336 D HA 0.292 4.932 4.640 0.000 0.000 0.248 336 D C -0.541 175.889 176.300 0.217 0.000 1.096 336 D CA -0.763 53.240 54.000 0.006 0.000 0.863 336 D CB 0.892 41.688 40.800 -0.008 0.000 1.156 336 D HN 0.202 nan 8.370 nan 0.000 0.450 337 F N 3.011 123.101 119.950 0.233 0.000 2.578 337 F HA 0.219 4.746 4.527 0.000 0.000 0.376 337 F C -0.643 175.337 175.800 0.299 0.000 1.085 337 F CA -0.087 58.120 58.000 0.345 0.000 1.260 337 F CB 0.347 39.538 39.000 0.317 0.000 1.095 337 F HN 0.002 nan 8.300 nan 0.000 0.573 338 V N 7.533 127.279 119.914 -0.280 0.000 2.971 338 V HA 0.446 4.566 4.120 0.000 0.000 0.309 338 V C -0.504 175.413 176.094 -0.297 0.000 1.130 338 V CA -0.955 61.148 62.300 -0.328 0.000 0.964 338 V CB 2.309 34.071 31.823 -0.101 0.000 1.029 338 V HN 0.585 nan 8.190 nan 0.000 0.427 339 I N 2.237 122.684 120.570 -0.205 0.000 2.476 339 I HA 0.285 4.455 4.170 0.000 0.000 0.281 339 I C 1.015 177.187 176.117 0.092 0.000 1.040 339 I CA -0.113 61.189 61.300 0.004 0.000 1.094 339 I CB 2.026 40.021 38.000 -0.009 0.000 1.219 339 I HN 0.593 nan 8.210 nan 0.000 0.450 340 S N 4.220 119.980 115.700 0.101 0.000 2.402 340 S HA -0.009 4.461 4.470 0.000 0.000 0.229 340 S C 0.822 175.471 174.600 0.083 0.000 1.021 340 S CA 1.146 59.383 58.200 0.063 0.000 0.974 340 S CB -0.053 63.175 63.200 0.047 0.000 0.800 340 S HN 0.621 nan 8.310 nan 0.000 0.484 341 R N 0.015 120.597 120.500 0.138 0.000 2.523 341 R HA 0.326 4.666 4.340 0.000 0.000 0.278 341 R C -2.192 174.226 176.300 0.196 0.000 1.150 341 R CA -0.627 55.544 56.100 0.118 0.000 0.987 341 R CB 1.009 31.356 30.300 0.077 0.000 1.232 341 R HN 0.297 nan 8.270 nan 0.000 0.424 342 Y N 0.429 120.776 120.300 0.078 0.000 2.442 342 Y HA 0.545 5.095 4.550 0.000 0.000 0.344 342 Y C -0.919 174.974 175.900 -0.012 0.000 0.976 342 Y CA -1.082 57.018 58.100 -0.000 0.000 1.040 342 Y CB 1.575 40.011 38.460 -0.039 0.000 1.228 342 Y HN 0.386 nan 8.280 nan 0.000 0.451 343 E N 2.688 122.903 120.200 0.025 0.000 2.301 343 E HA 0.587 4.937 4.350 0.000 0.000 0.275 343 E C -1.225 175.348 176.600 -0.045 0.000 1.030 343 E CA -1.011 55.397 56.400 0.014 0.000 0.852 343 E CB 2.303 32.095 29.700 0.153 0.000 1.060 343 E HN 0.530 nan 8.360 nan 0.000 0.401 344 V N 4.141 124.015 119.914 -0.067 0.000 2.623 344 V HA 0.305 4.425 4.120 0.000 0.000 0.304 344 V C -0.134 175.964 176.094 0.006 0.000 1.054 344 V CA -0.846 61.355 62.300 -0.165 0.000 0.882 344 V CB 1.438 32.836 31.823 -0.707 0.000 1.002 344 V HN 0.545 nan 8.190 nan 0.000 0.424 345 I N 1.970 122.562 120.570 0.036 0.000 2.396 345 I HA 0.697 4.867 4.170 0.000 0.000 0.292 345 I C -0.197 175.915 176.117 -0.008 0.000 0.999 345 I CA -0.238 61.034 61.300 -0.047 0.000 1.310 345 I CB 1.034 38.914 38.000 -0.200 0.000 1.404 345 I HN 0.553 nan 8.210 nan 0.000 0.496 346 K N 3.589 123.994 120.400 0.007 0.000 2.054 346 K HA 0.373 4.693 4.320 0.000 0.000 0.248 346 K C 0.309 176.908 176.600 -0.002 0.000 1.019 346 K CA -0.800 55.515 56.287 0.047 0.000 0.855 346 K CB 1.127 33.691 32.500 0.107 0.000 1.473 346 K HN 0.519 nan 8.250 nan 0.000 0.483 347 E N 1.286 121.490 120.200 0.007 0.000 2.409 347 E HA -0.130 4.220 4.350 0.000 0.000 0.198 347 E C 0.671 177.203 176.600 -0.112 0.000 1.024 347 E CA 0.778 57.154 56.400 -0.040 0.000 0.861 347 E CB -0.093 29.597 29.700 -0.017 0.000 0.788 347 E HN 0.366 nan 8.360 nan 0.000 0.521 348 N N -0.104 118.538 118.700 -0.097 0.000 2.270 348 N HA -0.001 4.739 4.740 0.000 0.000 0.198 348 N C -0.099 175.275 175.510 -0.226 0.000 1.117 348 N CA -0.024 52.938 53.050 -0.147 0.000 0.845 348 N CB 0.507 38.962 38.487 -0.053 0.000 0.980 348 N HN -0.197 nan 8.380 nan 0.000 0.486 349 S N -0.335 115.225 115.700 -0.234 0.000 2.681 349 S HA 0.560 5.030 4.470 0.000 0.000 0.299 349 S C -1.147 173.238 174.600 -0.358 0.000 1.113 349 S CA -0.481 57.590 58.200 -0.214 0.000 1.013 349 S CB 0.922 64.056 63.200 -0.109 0.000 1.076 349 S HN 0.161 nan 8.310 nan 0.000 0.534 350 Y N -0.178 120.050 120.300 -0.120 0.000 2.512 350 Y HA 0.571 5.121 4.550 0.000 0.000 0.348 350 Y C -0.405 175.274 175.900 -0.368 0.000 0.990 350 Y CA -0.927 57.008 58.100 -0.274 0.000 1.033 350 Y CB 1.450 39.623 38.460 -0.477 0.000 1.259 350 Y HN 0.321 nan 8.280 nan 0.000 0.461 351 V N 3.428 123.259 119.914 -0.138 0.000 2.459 351 V HA 0.420 4.540 4.120 0.000 0.000 0.295 351 V C -1.245 174.674 176.094 -0.291 0.000 1.029 351 V CA -1.113 61.105 62.300 -0.137 0.000 0.874 351 V CB 1.161 32.991 31.823 0.012 0.000 0.985 351 V HN 0.605 nan 8.190 nan 0.000 0.438 352 Y N 2.774 123.109 120.300 0.058 0.000 2.393 352 Y HA 0.691 5.241 4.550 0.000 0.000 0.341 352 Y C -0.110 175.797 175.900 0.010 0.000 0.988 352 Y CA -0.995 57.121 58.100 0.027 0.000 1.078 352 Y CB 2.207 40.672 38.460 0.007 0.000 1.203 352 Y HN 0.323 nan 8.280 nan 0.000 0.453 353 V N 3.679 123.720 119.914 0.212 0.000 2.409 353 V HA 0.232 4.352 4.120 0.000 0.000 0.290 353 V C -0.715 175.559 176.094 0.300 0.000 1.017 353 V CA -1.056 61.355 62.300 0.186 0.000 0.841 353 V CB 1.286 33.168 31.823 0.098 0.000 1.003 353 V HN 0.722 nan 8.190 nan 0.000 0.426 354 D N 3.218 123.773 120.400 0.258 0.000 2.302 354 D HA 0.352 4.992 4.640 0.000 0.000 0.248 354 D C -0.901 175.636 176.300 0.395 0.000 1.094 354 D CA 0.233 54.388 54.000 0.257 0.000 0.897 354 D CB 2.092 42.994 40.800 0.170 0.000 1.200 354 D HN 0.592 nan 8.370 nan 0.000 0.429 355 Y N 1.422 121.893 120.300 0.285 0.000 2.457 355 Y HA 0.429 4.979 4.550 0.000 0.000 0.343 355 Y C -1.778 174.329 175.900 0.346 0.000 0.994 355 Y CA -1.086 57.218 58.100 0.340 0.000 1.031 355 Y CB 1.536 40.259 38.460 0.438 0.000 1.246 355 Y HN 0.508 nan 8.280 nan 0.000 0.449 356 W N 7.520 128.498 121.300 -0.536 0.000 3.032 356 W HA 0.569 5.229 4.660 0.000 0.000 0.335 356 W C -1.995 173.765 176.519 -1.266 0.000 1.154 356 W CA -0.442 56.483 57.345 -0.701 0.000 1.204 356 W CB 1.480 30.688 29.460 -0.421 0.000 1.416 356 W HN 0.706 nan 8.180 nan 0.000 0.521 357 D N 1.508 120.400 120.400 -2.512 0.000 2.579 357 D HA 0.229 4.869 4.640 0.000 0.000 0.257 357 D C -0.177 174.616 176.300 -2.511 0.000 1.176 357 D CA -0.502 52.276 54.000 -2.036 0.000 0.914 357 D CB 1.537 41.716 40.800 -1.034 0.000 1.431 357 D HN 0.323 nan 8.370 nan 0.000 0.454 358 D N -0.624 118.847 120.400 -1.549 0.000 2.342 358 D HA 0.059 4.699 4.640 0.000 0.000 0.221 358 D C -0.055 175.904 176.300 -0.569 0.000 1.101 358 D CA -0.247 53.150 54.000 -1.006 0.000 0.837 358 D CB -0.507 39.992 40.800 -0.501 0.000 0.938 358 D HN 0.349 nan 8.370 nan 0.000 0.508 359 S N -0.424 114.949 115.700 -0.546 0.000 2.585 359 S HA 0.030 4.500 4.470 0.000 0.000 0.273 359 S C 1.268 175.743 174.600 -0.208 0.000 1.339 359 S CA -0.511 57.503 58.200 -0.311 0.000 1.028 359 S CB 1.830 64.879 63.200 -0.253 0.000 0.906 359 S HN -0.025 nan 8.310 nan 0.000 0.528 360 Q N 1.727 121.433 119.800 -0.155 0.000 2.096 360 Q HA -0.132 4.208 4.340 0.000 0.000 0.204 360 Q C 2.577 178.488 176.000 -0.148 0.000 0.982 360 Q CA 1.897 57.625 55.803 -0.124 0.000 0.850 360 Q CB -1.155 27.529 28.738 -0.091 0.000 0.901 360 Q HN 0.967 nan 8.270 nan 0.000 0.422 361 A N 0.419 123.140 122.820 -0.165 0.000 1.908 361 A HA -0.192 4.128 4.320 0.000 0.000 0.218 361 A C 1.972 179.400 177.584 -0.259 0.000 1.181 361 A CA 1.263 53.133 52.037 -0.280 0.000 0.627 361 A CB -0.976 17.880 19.000 -0.240 0.000 0.818 361 A HN 0.362 nan 8.150 nan 0.000 0.445 362 F N 1.048 120.811 119.950 -0.311 0.000 2.154 362 F HA -0.227 4.300 4.527 0.000 0.000 0.301 362 F C 2.408 178.036 175.800 -0.287 0.000 1.087 362 F CA 1.881 59.700 58.000 -0.302 0.000 1.274 362 F CB 0.035 38.807 39.000 -0.380 0.000 1.009 362 F HN 0.147 nan 8.300 nan 0.000 0.485 363 R N 0.141 120.610 120.500 -0.051 0.000 2.285 363 R HA -0.088 4.252 4.340 0.000 0.000 0.213 363 R C 1.295 177.424 176.300 -0.284 0.000 1.068 363 R CA 0.910 56.940 56.100 -0.117 0.000 1.004 363 R CB -0.823 29.421 30.300 -0.093 0.000 0.873 363 R HN 0.404 nan 8.270 nan 0.000 0.467 364 N N 0.990 119.495 118.700 -0.326 0.000 2.336 364 N HA -0.034 4.706 4.740 0.000 0.000 0.177 364 N C 1.100 176.384 175.510 -0.376 0.000 1.018 364 N CA 0.288 53.097 53.050 -0.402 0.000 0.878 364 N CB 0.038 38.237 38.487 -0.478 0.000 0.997 364 N HN 0.155 nan 8.380 nan 0.000 0.433 365 M N 2.116 121.491 119.600 -0.375 0.000 3.282 365 M HA 0.039 4.519 4.480 0.000 0.000 0.242 365 M C -0.303 175.819 176.300 -0.297 0.000 1.568 365 M CA 0.107 55.229 55.300 -0.296 0.000 1.668 365 M CB -0.039 32.346 32.600 -0.358 0.000 1.236 365 M HN -0.209 nan 8.290 nan 0.000 0.527 366 V N 2.847 122.606 119.914 -0.258 0.000 2.950 366 V HA 0.070 4.190 4.120 0.000 0.000 0.231 366 V C -0.274 175.671 176.094 -0.248 0.000 1.205 366 V CA 0.399 62.510 62.300 -0.316 0.000 1.239 366 V CB 0.051 31.588 31.823 -0.476 0.000 1.050 366 V HN 0.545 nan 8.190 nan 0.000 0.498 367 Y N 1.543 121.905 120.300 0.102 0.000 2.700 367 Y HA 0.585 5.135 4.550 0.000 0.000 0.333 367 Y C -0.143 175.785 175.900 0.045 0.000 1.036 367 Y CA -1.095 57.016 58.100 0.019 0.000 1.287 367 Y CB 0.631 39.019 38.460 -0.120 0.000 1.132 367 Y HN -0.089 nan 8.280 nan 0.000 0.510 368 V N 4.435 124.434 119.914 0.141 0.000 2.427 368 V HA 0.340 4.460 4.120 0.000 0.000 0.286 368 V C 0.980 177.120 176.094 0.078 0.000 1.034 368 V CA -0.722 61.638 62.300 0.100 0.000 0.893 368 V CB 1.813 33.666 31.823 0.050 0.000 0.982 368 V HN 0.668 nan 8.190 nan 0.000 0.452 369 R N 2.983 123.529 120.500 0.076 0.000 2.156 369 R HA 0.182 4.522 4.340 0.000 0.000 0.207 369 R C 0.516 176.831 176.300 0.025 0.000 1.040 369 R CA 0.981 57.108 56.100 0.046 0.000 1.013 369 R CB 0.463 30.792 30.300 0.048 0.000 0.931 369 R HN 0.911 nan 8.270 nan 0.000 0.465 370 S N -1.452 114.264 115.700 0.027 0.000 2.597 370 S HA 0.424 4.894 4.470 0.000 0.000 0.274 370 S C -1.298 173.290 174.600 -0.019 0.000 1.132 370 S CA -1.141 57.056 58.200 -0.004 0.000 0.835 370 S CB 1.148 64.338 63.200 -0.017 0.000 1.092 370 S HN 0.031 nan 8.310 nan 0.000 0.457 371 L N 0.828 122.008 121.223 -0.071 0.000 2.422 371 L HA 0.956 5.296 4.340 0.000 0.000 0.264 371 L C -0.463 176.241 176.870 -0.276 0.000 0.984 371 L CA -0.837 53.895 54.840 -0.180 0.000 0.819 371 L CB 2.172 44.187 42.059 -0.073 0.000 1.330 371 L HN 1.172 nan 8.230 nan 0.000 0.410 372 A N 1.989 124.502 122.820 -0.511 0.000 2.574 372 A HA 0.978 5.298 4.320 0.000 0.000 0.297 372 A C -1.501 175.776 177.584 -0.511 0.000 1.062 372 A CA -0.210 51.607 52.037 -0.366 0.000 0.686 372 A CB 2.067 20.936 19.000 -0.219 0.000 1.285 372 A HN 0.848 nan 8.150 nan 0.000 0.403 373 A N 1.059 123.742 122.820 -0.229 0.000 2.572 373 A HA 0.758 5.078 4.320 0.000 0.000 0.295 373 A C -1.197 176.399 177.584 0.019 0.000 1.072 373 A CA -0.587 51.400 52.037 -0.084 0.000 0.691 373 A CB 1.435 20.506 19.000 0.118 0.000 1.291 373 A HN 0.893 nan 8.150 nan 0.000 0.404 374 N N 1.784 120.521 118.700 0.061 0.000 2.898 374 N HA 0.374 5.114 4.740 0.000 0.000 0.245 374 N C -1.406 174.161 175.510 0.095 0.000 1.185 374 N CA -0.112 52.979 53.050 0.068 0.000 0.879 374 N CB -0.004 38.514 38.487 0.051 0.000 1.157 374 N HN 0.567 nan 8.380 nan 0.000 0.503 375 L N 2.134 123.427 121.223 0.117 0.000 2.289 375 L HA 0.405 4.745 4.340 0.000 0.000 0.285 375 L C 0.540 177.477 176.870 0.111 0.000 1.049 375 L CA -0.703 54.207 54.840 0.118 0.000 0.804 375 L CB 1.048 43.209 42.059 0.169 0.000 1.195 375 L HN 0.396 nan 8.230 nan 0.000 0.428 376 N N 0.691 119.430 118.700 0.064 0.000 2.371 376 N HA 0.122 4.862 4.740 0.000 0.000 0.243 376 N C -0.182 175.339 175.510 0.018 0.000 1.287 376 N CA -0.300 52.775 53.050 0.042 0.000 0.911 376 N CB 0.722 39.216 38.487 0.011 0.000 1.142 376 N HN 0.618 nan 8.380 nan 0.000 0.451 377 S N -0.356 115.333 115.700 -0.019 0.000 2.713 377 S HA 0.617 5.087 4.470 0.000 0.000 0.283 377 S C -0.425 174.078 174.600 -0.161 0.000 1.161 377 S CA -0.809 57.299 58.200 -0.153 0.000 0.999 377 S CB 1.755 64.834 63.200 -0.202 0.000 1.039 377 S HN 0.345 nan 8.310 nan 0.000 0.548 378 V N 0.971 120.739 119.914 -0.243 0.000 2.971 378 V HA 0.572 4.692 4.120 0.000 0.000 0.309 378 V C -1.521 174.471 176.094 -0.169 0.000 1.130 378 V CA -1.138 61.067 62.300 -0.158 0.000 0.964 378 V CB 1.816 33.558 31.823 -0.135 0.000 1.029 378 V HN 0.978 nan 8.190 nan 0.000 0.427 379 I N 4.774 125.288 120.570 -0.094 0.000 2.359 379 I HA 0.464 4.634 4.170 0.000 0.000 0.294 379 I C -0.585 175.458 176.117 -0.123 0.000 0.987 379 I CA -0.346 60.907 61.300 -0.079 0.000 1.225 379 I CB 1.455 39.450 38.000 -0.009 0.000 1.366 379 I HN 0.489 nan 8.210 nan 0.000 0.466 380 C N 4.302 123.477 119.300 -0.209 0.000 2.298 380 C HA 0.572 5.032 4.460 0.000 0.000 0.323 380 C C 0.408 175.368 174.990 -0.050 0.000 1.284 380 C CA -0.372 58.429 59.018 -0.360 0.000 1.577 380 C CB 0.765 28.209 27.740 -0.493 0.000 2.249 380 C HN 0.692 nan 8.230 nan 0.000 0.497 381 T N 2.137 116.755 114.554 0.106 0.000 2.841 381 T HA 0.587 4.937 4.350 0.000 0.000 0.283 381 T C 0.385 175.130 174.700 0.075 0.000 1.000 381 T CA -0.139 62.007 62.100 0.077 0.000 0.977 381 T CB 1.639 70.553 68.868 0.077 0.000 0.979 381 T HN 0.912 nan 8.240 nan 0.000 0.446 382 G N 1.308 110.117 108.800 0.016 0.000 2.432 382 G HA2 0.526 4.486 3.960 0.000 0.000 0.257 382 G HA3 0.526 4.486 3.960 0.000 0.000 0.257 382 G C 0.456 175.351 174.900 -0.008 0.000 1.238 382 G CA -0.452 44.637 45.100 -0.019 0.000 0.838 382 G HN 0.861 nan 8.290 nan 0.000 0.547 383 G N 0.581 109.372 108.800 -0.014 0.000 2.532 383 G HA2 0.486 4.446 3.960 0.000 0.000 0.291 383 G HA3 0.486 4.446 3.960 0.000 0.000 0.291 383 G C -0.674 174.215 174.900 -0.018 0.000 1.349 383 G CA -0.588 44.504 45.100 -0.014 0.000 1.038 383 G HN 0.506 nan 8.290 nan 0.000 0.518 384 D N -1.292 119.097 120.400 -0.019 0.000 2.312 384 D HA 0.440 5.080 4.640 0.000 0.000 0.248 384 D C -1.229 175.061 176.300 -0.016 0.000 1.086 384 D CA 0.408 54.394 54.000 -0.023 0.000 0.948 384 D CB 1.561 42.337 40.800 -0.040 0.000 1.162 384 D HN 0.220 nan 8.370 nan 0.000 0.446 385 Y N 0.096 120.272 120.300 -0.207 0.000 2.361 385 Y HA 0.276 4.826 4.550 0.000 0.000 0.328 385 Y C -0.995 174.609 175.900 -0.494 0.000 1.044 385 Y CA -0.499 57.385 58.100 -0.361 0.000 1.085 385 Y CB 1.419 39.599 38.460 -0.466 0.000 1.194 385 Y HN 0.177 nan 8.280 nan 0.000 0.438 386 S N 5.772 120.940 115.700 -0.887 0.000 2.554 386 S HA 0.496 4.966 4.470 0.000 0.000 0.278 386 S C -1.132 172.869 174.600 -0.998 0.000 1.242 386 S CA -0.367 57.451 58.200 -0.636 0.000 1.051 386 S CB 0.287 63.321 63.200 -0.276 0.000 0.986 386 S HN 0.481 nan 8.310 nan 0.000 0.502 387 F N 1.980 121.590 119.950 -0.568 0.000 2.293 387 F HA 0.417 4.944 4.527 0.000 0.000 0.370 387 F C 0.735 176.066 175.800 -0.781 0.000 1.090 387 F CA -0.827 56.716 58.000 -0.762 0.000 1.133 387 F CB 0.451 38.748 39.000 -1.173 0.000 1.360 387 F HN 0.631 nan 8.300 nan 0.000 0.489 388 A N 5.935 128.250 122.820 -0.843 0.000 2.541 388 A HA 0.387 4.707 4.320 0.000 0.000 0.293 388 A C 0.073 177.363 177.584 -0.489 0.000 1.307 388 A CA -0.220 50.869 52.037 -1.580 0.000 0.978 388 A CB -0.634 17.553 19.000 -1.354 0.000 1.111 388 A HN 0.760 nan 8.150 nan 0.000 0.535 389 L N 3.647 124.693 121.223 -0.295 0.000 2.418 389 L HA 0.221 4.561 4.340 0.000 0.000 0.265 389 L C -1.268 175.529 176.870 -0.122 0.000 1.143 389 L CA -1.836 52.934 54.840 -0.117 0.000 0.809 389 L CB 0.731 42.809 42.059 0.031 0.000 1.124 389 L HN 0.408 nan 8.230 nan 0.000 0.456 390 P HA -0.113 nan 4.420 nan 0.000 0.216 390 P C -0.264 177.038 177.300 0.003 0.000 1.153 390 P CA 1.010 63.990 63.100 -0.201 0.000 0.858 390 P CB 0.258 31.773 31.700 -0.309 0.000 0.789 391 V N -2.017 117.937 119.914 0.067 0.000 2.760 391 V HA 0.716 4.836 4.120 0.000 0.000 0.309 391 V C 0.153 176.386 176.094 0.233 0.000 1.077 391 V CA -0.071 62.338 62.300 0.181 0.000 0.910 391 V CB 1.332 33.290 31.823 0.225 0.000 1.008 391 V HN 0.402 nan 8.190 nan 0.000 0.424 392 G N 3.762 112.659 108.800 0.162 0.000 2.612 392 G HA2 -0.079 3.881 3.960 0.000 0.000 0.686 392 G HA3 -0.079 3.881 3.960 0.000 0.000 0.686 392 G C -0.864 174.106 174.900 0.118 0.000 1.274 392 G CA -0.824 44.361 45.100 0.141 0.000 0.849 392 G HN 0.707 nan 8.290 nan 0.000 0.595 393 Q N -0.683 119.149 119.800 0.053 0.000 2.392 393 Q HA 0.252 4.592 4.340 0.000 0.000 0.262 393 Q C -0.207 175.884 176.000 0.152 0.000 1.003 393 Q CA 0.142 55.937 55.803 -0.013 0.000 0.888 393 Q CB 0.727 29.445 28.738 -0.033 0.000 1.260 393 Q HN 0.505 nan 8.270 nan 0.000 0.435 394 W N 2.718 123.968 121.300 -0.084 0.000 2.322 394 W HA 0.293 4.953 4.660 0.000 0.000 0.307 394 W C -2.171 174.243 176.519 -0.175 0.000 1.220 394 W CA -2.885 54.381 57.345 -0.132 0.000 1.210 394 W CB -0.450 28.937 29.460 -0.121 0.000 1.223 394 W HN 0.447 nan 8.180 nan 0.000 0.511 395 P HA 0.143 nan 4.420 nan 0.000 0.271 395 P C -0.606 176.695 177.300 0.002 0.000 1.218 395 P CA -0.081 62.901 63.100 -0.196 0.000 0.780 395 P CB 0.913 32.199 31.700 -0.691 0.000 0.901 396 V N 3.873 123.804 119.914 0.029 0.000 2.483 396 V HA 0.349 4.469 4.120 0.000 0.000 0.297 396 V C 0.011 176.160 176.094 0.092 0.000 1.027 396 V CA -0.632 61.706 62.300 0.064 0.000 0.855 396 V CB 1.613 33.441 31.823 0.010 0.000 0.995 396 V HN 0.581 nan 8.190 nan 0.000 0.424 397 M N 4.137 123.845 119.600 0.181 0.000 2.185 397 M HA 0.517 4.997 4.480 0.000 0.000 0.357 397 M C -0.210 176.119 176.300 0.049 0.000 1.260 397 M CA 0.692 56.065 55.300 0.122 0.000 1.124 397 M CB 0.953 33.630 32.600 0.128 0.000 1.600 397 M HN 0.809 nan 8.290 nan 0.000 0.467 398 T N 3.416 118.003 114.554 0.056 0.000 2.916 398 T HA 0.759 5.109 4.350 0.000 0.000 0.305 398 T C -0.305 174.436 174.700 0.069 0.000 1.119 398 T CA 0.572 62.694 62.100 0.036 0.000 1.008 398 T CB 1.256 70.136 68.868 0.019 0.000 1.129 398 T HN 1.253 nan 8.240 nan 0.000 0.480 399 G N 1.406 110.230 108.800 0.041 0.000 2.632 399 G HA2 0.421 4.381 3.960 0.000 0.000 0.224 399 G HA3 0.421 4.381 3.960 0.000 0.000 0.224 399 G C 0.429 175.379 174.900 0.083 0.000 1.341 399 G CA 0.216 45.352 45.100 0.059 0.000 0.880 399 G HN 2.529 nan 8.290 nan 0.000 0.566 400 G N -2.106 106.765 108.800 0.119 0.000 2.788 400 G HA2 0.588 4.548 3.960 0.000 0.000 0.686 400 G HA3 0.588 4.548 3.960 0.000 0.000 0.686 400 G C -0.123 174.819 174.900 0.070 0.000 1.147 400 G CA 0.839 46.028 45.100 0.149 0.000 0.755 400 G HN 3.005 nan 8.290 nan 0.000 0.634 401 A N 0.079 122.954 122.820 0.092 0.000 2.594 401 A HA 1.077 5.397 4.320 0.000 0.000 0.296 401 A C -0.233 177.399 177.584 0.079 0.000 1.056 401 A CA 0.328 52.403 52.037 0.065 0.000 0.693 401 A CB 1.476 20.521 19.000 0.075 0.000 1.278 401 A HN 2.558 nan 8.150 nan 0.000 0.408 402 V N -0.613 119.320 119.914 0.032 0.000 2.971 402 V HA 0.951 5.071 4.120 0.000 0.000 0.309 402 V C -0.174 175.924 176.094 0.007 0.000 1.130 402 V CA -0.193 62.132 62.300 0.041 0.000 0.964 402 V CB 1.516 33.352 31.823 0.022 0.000 1.029 402 V HN 1.741 nan 8.190 nan 0.000 0.427 403 S N 3.369 119.095 115.700 0.044 0.000 2.509 403 S HA 0.863 5.333 4.470 0.000 0.000 0.297 403 S C -0.846 173.678 174.600 -0.128 0.000 1.118 403 S CA -0.708 57.467 58.200 -0.043 0.000 1.074 403 S CB 1.479 64.717 63.200 0.063 0.000 1.038 403 S HN 0.766 nan 8.310 nan 0.000 0.498 404 L N 3.700 124.712 121.223 -0.352 0.000 2.295 404 L HA 0.461 4.801 4.340 0.000 0.000 0.285 404 L C 0.041 176.605 176.870 -0.510 0.000 1.035 404 L CA -0.012 54.632 54.840 -0.328 0.000 0.806 404 L CB 0.780 42.509 42.059 -0.550 0.000 1.214 404 L HN 0.731 nan 8.230 nan 0.000 0.426 405 H N 1.352 120.625 119.070 0.339 0.000 2.609 405 H HA 0.212 4.768 4.556 0.000 0.000 0.344 405 H C -0.378 175.256 175.328 0.509 0.000 1.040 405 H CA -0.641 55.630 56.048 0.372 0.000 1.216 405 H CB 2.155 32.031 29.762 0.189 0.000 1.529 405 H HN 0.492 nan 8.280 nan 0.000 0.519 406 S N 2.316 118.317 115.700 0.501 0.000 2.629 406 S HA 0.157 4.627 4.470 0.000 0.000 0.302 406 S C 0.505 175.114 174.600 0.015 0.000 1.244 406 S CA -0.405 57.798 58.200 0.005 0.000 1.098 406 S CB -0.394 62.870 63.200 0.107 0.000 0.858 406 S HN 0.730 nan 8.310 nan 0.000 0.502 407 A N 5.183 127.934 122.820 -0.114 0.000 3.150 407 A HA 0.668 4.988 4.320 0.000 0.000 0.328 407 A C 0.899 178.419 177.584 -0.107 0.000 1.104 407 A CA 0.014 52.028 52.037 -0.037 0.000 0.937 407 A CB -0.804 18.219 19.000 0.039 0.000 1.073 407 A HN 1.862 nan 8.150 nan 0.000 0.497 408 G N -0.612 108.139 108.800 -0.082 0.000 2.860 408 G HA2 0.116 4.076 3.960 0.000 0.000 0.553 408 G HA3 0.116 4.076 3.960 0.000 0.000 0.553 408 G C -0.584 174.221 174.900 -0.158 0.000 1.439 408 G CA -0.336 44.708 45.100 -0.092 0.000 0.879 408 G HN 1.442 nan 8.290 nan 0.000 0.545 409 V N -0.040 119.774 119.914 -0.167 0.000 2.760 409 V HA 0.789 4.909 4.120 0.000 0.000 0.309 409 V C 0.234 176.196 176.094 -0.221 0.000 1.077 409 V CA -0.314 61.808 62.300 -0.296 0.000 0.910 409 V CB 2.218 33.856 31.823 -0.308 0.000 1.008 409 V HN 1.151 nan 8.190 nan 0.000 0.424 410 T N 4.803 119.208 114.554 -0.247 0.000 2.829 410 T HA 0.633 4.983 4.350 0.000 0.000 0.280 410 T C -0.753 173.857 174.700 -0.150 0.000 0.999 410 T CA -0.315 61.690 62.100 -0.159 0.000 0.983 410 T CB 1.568 70.359 68.868 -0.129 0.000 0.968 410 T HN 0.536 nan 8.240 nan 0.000 0.446 411 L N 2.796 123.958 121.223 -0.101 0.000 2.289 411 L HA 0.723 5.063 4.340 0.000 0.000 0.285 411 L C -0.374 176.458 176.870 -0.062 0.000 1.049 411 L CA 0.261 55.053 54.840 -0.081 0.000 0.804 411 L CB 1.323 43.339 42.059 -0.072 0.000 1.195 411 L HN 0.528 nan 8.230 nan 0.000 0.428 412 S N 2.461 118.131 115.700 -0.049 0.000 2.500 412 S HA 0.710 5.180 4.470 0.000 0.000 0.301 412 S C -0.745 173.805 174.600 -0.083 0.000 1.092 412 S CA -0.518 57.649 58.200 -0.056 0.000 1.030 412 S CB 1.625 64.796 63.200 -0.048 0.000 1.031 412 S HN 0.726 nan 8.310 nan 0.000 0.483 413 T N 2.935 117.399 114.554 -0.150 0.000 2.847 413 T HA 0.333 4.683 4.350 0.000 0.000 0.291 413 T C -0.700 173.697 174.700 -0.505 0.000 0.998 413 T CA -0.486 61.408 62.100 -0.343 0.000 0.967 413 T CB 1.230 69.827 68.868 -0.452 0.000 0.954 413 T HN 0.554 nan 8.240 nan 0.000 0.441 414 Q N 3.209 122.767 119.800 -0.404 0.000 2.296 414 Q HA 0.438 4.778 4.340 0.000 0.000 0.257 414 Q C -1.370 174.394 176.000 -0.393 0.000 0.942 414 Q CA -0.539 55.089 55.803 -0.290 0.000 0.939 414 Q CB 0.436 29.096 28.738 -0.131 0.000 1.198 414 Q HN 0.524 nan 8.270 nan 0.000 0.429 415 F N 2.549 122.501 119.950 0.003 0.000 2.361 415 F HA 0.357 4.884 4.527 0.000 0.000 0.364 415 F C 0.288 176.078 175.800 -0.017 0.000 1.117 415 F CA -0.368 57.633 58.000 0.002 0.000 1.071 415 F CB 1.776 40.777 39.000 0.001 0.000 1.188 415 F HN 0.332 nan 8.300 nan 0.000 0.464 416 T N 1.341 115.969 114.554 0.124 0.000 2.940 416 T HA 0.157 4.507 4.350 0.000 0.000 0.288 416 T C 0.582 175.271 174.700 -0.019 0.000 1.045 416 T CA -0.588 61.535 62.100 0.039 0.000 1.018 416 T CB 1.485 70.360 68.868 0.011 0.000 1.151 416 T HN 0.506 nan 8.240 nan 0.000 0.529 417 D N 0.007 120.315 120.400 -0.153 0.000 4.551 417 D HA -0.224 4.416 4.640 0.000 0.000 0.191 417 D C 0.709 176.596 176.300 -0.688 0.000 1.416 417 D CA 2.180 55.902 54.000 -0.463 0.000 0.898 417 D CB -0.172 40.261 40.800 -0.611 0.000 0.859 417 D HN 0.462 nan 8.370 nan 0.000 0.592 418 F N -2.070 117.915 119.950 0.057 0.000 2.455 418 F HA 0.271 4.798 4.527 0.000 0.000 0.278 418 F C 0.741 176.590 175.800 0.082 0.000 0.887 418 F CA -0.120 57.915 58.000 0.059 0.000 1.104 418 F CB 0.386 39.410 39.000 0.039 0.000 0.949 418 F HN -0.250 nan 8.300 nan 0.000 0.750 419 V N -0.373 119.697 119.914 0.261 0.000 3.182 419 V HA 0.644 4.764 4.120 0.000 0.000 0.311 419 V C -0.403 175.772 176.094 0.136 0.000 1.221 419 V CA -0.963 61.450 62.300 0.188 0.000 1.060 419 V CB 1.648 33.551 31.823 0.134 0.000 1.164 419 V HN 0.115 nan 8.190 nan 0.000 0.466 420 S N 1.109 116.854 115.700 0.075 0.000 2.478 420 S HA 0.756 5.226 4.470 0.000 0.000 0.312 420 S C -1.124 173.418 174.600 -0.096 0.000 1.094 420 S CA -0.501 57.638 58.200 -0.102 0.000 1.081 420 S CB 1.454 64.547 63.200 -0.177 0.000 1.007 420 S HN 0.700 nan 8.310 nan 0.000 0.475 421 L N 3.487 124.621 121.223 -0.148 0.000 2.287 421 L HA 0.572 4.912 4.340 0.000 0.000 0.287 421 L C -0.833 176.009 176.870 -0.047 0.000 1.022 421 L CA -0.323 54.471 54.840 -0.076 0.000 0.814 421 L CB 0.943 42.941 42.059 -0.102 0.000 1.217 421 L HN 0.749 nan 8.230 nan 0.000 0.420 422 N N 2.821 121.590 118.700 0.115 0.000 2.492 422 N HA 0.551 5.291 4.740 0.000 0.000 0.289 422 N C -0.942 174.756 175.510 0.313 0.000 1.133 422 N CA -0.285 52.861 53.050 0.160 0.000 0.961 422 N CB 1.872 40.456 38.487 0.162 0.000 1.186 422 N HN 0.647 nan 8.380 nan 0.000 0.493 423 S N 0.582 116.416 115.700 0.224 0.000 2.565 423 S HA 0.600 5.070 4.470 0.000 0.000 0.269 423 S C -1.748 172.965 174.600 0.188 0.000 1.153 423 S CA -0.747 57.619 58.200 0.277 0.000 0.835 423 S CB 0.744 64.046 63.200 0.170 0.000 1.122 423 S HN 0.350 nan 8.310 nan 0.000 0.462 424 L N 3.080 124.446 121.223 0.239 0.000 2.346 424 L HA 0.692 5.032 4.340 0.000 0.000 0.274 424 L C -0.082 176.768 176.870 -0.032 0.000 1.007 424 L CA -0.813 54.036 54.840 0.014 0.000 0.818 424 L CB 1.998 44.031 42.059 -0.044 0.000 1.284 424 L HN 0.770 nan 8.230 nan 0.000 0.424 425 R N 2.293 122.675 120.500 -0.197 0.000 2.337 425 R HA 0.398 4.738 4.340 0.000 0.000 0.319 425 R C -1.620 174.513 176.300 -0.278 0.000 0.954 425 R CA -0.492 55.560 56.100 -0.080 0.000 0.840 425 R CB 0.690 30.994 30.300 0.006 0.000 1.164 425 R HN 0.331 nan 8.270 nan 0.000 0.472 426 F N 3.987 123.893 119.950 -0.073 0.000 2.605 426 F HA 0.256 4.783 4.527 0.000 0.000 0.352 426 F C 1.181 176.617 175.800 -0.607 0.000 1.236 426 F CA -0.590 57.168 58.000 -0.404 0.000 1.267 426 F CB 0.349 39.082 39.000 -0.445 0.000 1.632 426 F HN 0.451 nan 8.300 nan 0.000 0.639 427 R N 2.408 122.737 120.500 -0.285 0.000 2.488 427 R HA 0.004 4.344 4.340 0.000 0.000 0.317 427 R C -1.328 174.750 176.300 -0.368 0.000 0.941 427 R CA 0.275 56.183 56.100 -0.320 0.000 1.076 427 R CB -0.071 30.016 30.300 -0.356 0.000 0.917 427 R HN 0.245 nan 8.270 nan 0.000 0.407 428 F N 5.113 125.020 119.950 -0.071 0.000 2.404 428 F HA 0.322 4.849 4.527 0.000 0.000 0.354 428 F C 0.590 176.478 175.800 0.147 0.000 1.122 428 F CA -0.672 57.344 58.000 0.028 0.000 1.080 428 F CB 1.321 40.293 39.000 -0.046 0.000 1.131 428 F HN 0.511 nan 8.300 nan 0.000 0.471 429 R N 3.565 124.291 120.500 0.377 0.000 2.615 429 R HA 0.726 5.066 4.340 0.000 0.000 0.270 429 R C -1.384 175.069 176.300 0.255 0.000 1.081 429 R CA -0.587 55.697 56.100 0.306 0.000 1.154 429 R CB 0.700 31.160 30.300 0.268 0.000 1.063 429 R HN 0.634 nan 8.270 nan 0.000 0.519 430 L N 0.853 122.149 121.223 0.121 0.000 2.333 430 L HA 0.519 4.859 4.340 0.000 0.000 0.269 430 L C -0.407 176.540 176.870 0.129 0.000 1.010 430 L CA -1.052 53.871 54.840 0.139 0.000 0.818 430 L CB 2.487 44.573 42.059 0.045 0.000 1.306 430 L HN 0.743 nan 8.230 nan 0.000 0.430 431 T N 1.045 115.703 114.554 0.172 0.000 2.841 431 T HA 0.404 4.754 4.350 0.000 0.000 0.285 431 T C -0.317 174.447 174.700 0.107 0.000 0.991 431 T CA -0.544 61.623 62.100 0.111 0.000 0.966 431 T CB 1.908 70.844 68.868 0.113 0.000 0.962 431 T HN 0.420 nan 8.240 nan 0.000 0.438 432 V N 1.439 121.404 119.914 0.085 0.000 2.715 432 V HA 0.643 4.763 4.120 0.000 0.000 0.299 432 V C -0.067 176.109 176.094 0.136 0.000 1.054 432 V CA -0.326 62.054 62.300 0.134 0.000 1.077 432 V CB 0.739 32.672 31.823 0.183 0.000 0.972 432 V HN 0.754 nan 8.190 nan 0.000 0.484 433 E N 1.487 121.801 120.200 0.190 0.000 2.423 433 E HA 0.494 4.844 4.350 0.000 0.000 0.269 433 E C -0.948 175.802 176.600 0.249 0.000 0.948 433 E CA -0.933 55.570 56.400 0.172 0.000 0.802 433 E CB 1.595 31.365 29.700 0.117 0.000 1.339 433 E HN 0.789 nan 8.360 nan 0.000 0.445 434 E N 2.129 122.450 120.200 0.202 0.000 2.343 434 E HA 0.305 4.655 4.350 0.000 0.000 0.269 434 E C -1.957 174.705 176.600 0.104 0.000 1.047 434 E CA -1.589 54.922 56.400 0.184 0.000 0.874 434 E CB 0.417 30.203 29.700 0.145 0.000 1.033 434 E HN 0.212 nan 8.360 nan 0.000 0.409 435 P HA 0.102 nan 4.420 nan 0.000 0.284 435 P C -0.349 176.918 177.300 -0.056 0.000 1.258 435 P CA -0.461 62.653 63.100 0.023 0.000 0.824 435 P CB 0.956 32.661 31.700 0.009 0.000 1.038 436 S N 1.598 117.134 115.700 -0.273 0.000 2.606 436 S HA 0.466 4.936 4.470 0.000 0.000 0.257 436 S C 0.190 174.666 174.600 -0.206 0.000 1.327 436 S CA -0.447 57.390 58.200 -0.604 0.000 0.984 436 S CB -0.230 62.352 63.200 -1.029 0.000 0.941 436 S HN 0.481 nan 8.310 nan 0.000 0.576 437 F N -0.873 118.934 119.950 -0.238 0.000 2.541 437 F HA 0.899 5.426 4.527 0.000 0.000 0.331 437 F C -0.113 175.631 175.800 -0.094 0.000 1.057 437 F CA -0.634 57.289 58.000 -0.128 0.000 0.975 437 F CB 1.356 40.301 39.000 -0.092 0.000 1.246 437 F HN 0.897 nan 8.300 nan 0.000 0.484 438 S N 0.724 116.508 115.700 0.140 0.000 2.643 438 S HA 0.741 5.211 4.470 0.000 0.000 0.270 438 S C -1.494 173.161 174.600 0.091 0.000 1.166 438 S CA -1.013 57.205 58.200 0.030 0.000 0.815 438 S CB 1.445 64.616 63.200 -0.048 0.000 1.139 438 S HN 0.773 nan 8.310 nan 0.000 0.472 439 I N 2.447 123.017 120.570 0.001 0.000 2.411 439 I HA 0.327 4.497 4.170 0.000 0.000 0.284 439 I C 0.601 176.665 176.117 -0.087 0.000 1.012 439 I CA -0.563 60.704 61.300 -0.054 0.000 1.119 439 I CB 1.919 39.808 38.000 -0.185 0.000 1.261 439 I HN 0.929 nan 8.210 nan 0.000 0.448 440 T N 2.583 117.107 114.554 -0.050 0.000 2.906 440 T HA 0.191 4.541 4.350 0.000 0.000 0.320 440 T C 0.904 175.559 174.700 -0.076 0.000 1.088 440 T CA -0.081 61.989 62.100 -0.050 0.000 1.120 440 T CB 0.561 69.412 68.868 -0.029 0.000 1.000 440 T HN 0.816 nan 8.240 nan 0.000 0.550 441 R N -0.532 119.939 120.500 -0.048 0.000 3.951 441 R HA -0.133 4.207 4.340 0.000 0.000 0.352 441 R C -0.119 176.167 176.300 -0.024 0.000 1.178 441 R CA 1.106 57.188 56.100 -0.029 0.000 0.949 441 R CB -2.816 27.464 30.300 -0.033 0.000 1.452 441 R HN 0.867 nan 8.270 nan 0.000 0.540 442 T N -1.609 112.907 114.554 -0.064 0.000 2.778 442 T HA 0.366 4.716 4.350 0.000 0.000 0.293 442 T C 0.643 175.338 174.700 -0.008 0.000 1.144 442 T CA -0.978 61.081 62.100 -0.068 0.000 1.010 442 T CB 1.713 70.303 68.868 -0.463 0.000 1.325 442 T HN 0.086 nan 8.240 nan 0.000 0.515 443 R N -0.033 120.519 120.500 0.086 0.000 2.299 443 R HA 0.199 4.539 4.340 0.000 0.000 0.197 443 R C 0.156 176.496 176.300 0.067 0.000 0.971 443 R CA 0.110 56.266 56.100 0.093 0.000 1.030 443 R CB 0.003 30.390 30.300 0.144 0.000 0.932 443 R HN 0.242 nan 8.270 nan 0.000 0.477 444 V N 2.463 122.395 119.914 0.030 0.000 2.397 444 V HA 0.059 4.179 4.120 0.000 0.000 0.262 444 V C 0.233 176.309 176.094 -0.030 0.000 1.047 444 V CA 0.086 62.407 62.300 0.034 0.000 1.003 444 V CB 0.446 32.297 31.823 0.048 0.000 1.037 444 V HN 0.280 nan 8.190 nan 0.000 0.480 445 S N 4.775 120.442 115.700 -0.054 0.000 2.556 445 S HA 0.681 5.151 4.470 0.000 0.000 0.271 445 S C -0.171 174.331 174.600 -0.163 0.000 1.135 445 S CA -1.086 57.051 58.200 -0.106 0.000 0.858 445 S CB 1.798 64.961 63.200 -0.062 0.000 1.114 445 S HN 0.714 nan 8.310 nan 0.000 0.468 446 R N 0.401 120.759 120.500 -0.236 0.000 3.333 446 R HA -0.129 4.211 4.340 0.000 0.000 0.256 446 R C -0.822 175.245 176.300 -0.387 0.000 1.010 446 R CA 0.614 56.534 56.100 -0.301 0.000 0.680 446 R CB -2.236 27.992 30.300 -0.121 0.000 1.102 446 R HN 0.661 nan 8.270 nan 0.000 0.440 447 L N 0.537 121.366 121.223 -0.657 0.000 2.343 447 L HA 0.470 4.810 4.340 0.000 0.000 0.275 447 L C 0.193 176.658 176.870 -0.675 0.000 1.056 447 L CA -0.803 53.669 54.840 -0.612 0.000 0.804 447 L CB 0.812 42.310 42.059 -0.935 0.000 1.203 447 L HN -0.024 nan 8.230 nan 0.000 0.440 448 Y N 0.660 120.919 120.300 -0.068 0.000 2.341 448 Y HA 0.705 5.255 4.550 0.000 0.000 0.337 448 Y C 0.687 176.727 175.900 0.234 0.000 1.014 448 Y CA -0.156 57.998 58.100 0.091 0.000 1.111 448 Y CB 2.042 40.539 38.460 0.062 0.000 1.194 448 Y HN 0.707 nan 8.280 nan 0.000 0.462 449 G N 1.658 110.689 108.800 0.384 0.000 2.369 449 G HA2 0.226 4.186 3.960 0.000 0.000 0.307 449 G HA3 0.226 4.186 3.960 0.000 0.000 0.307 449 G C -2.680 172.317 174.900 0.162 0.000 1.327 449 G CA -1.220 44.035 45.100 0.258 0.000 0.963 449 G HN 0.530 nan 8.290 nan 0.000 0.590 450 L N 1.545 122.769 121.223 0.002 0.000 2.294 450 L HA 0.733 5.073 4.340 0.000 0.000 0.283 450 L C -2.291 174.467 176.870 -0.187 0.000 1.015 450 L CA -1.965 52.816 54.840 -0.099 0.000 0.831 450 L CB 1.655 43.658 42.059 -0.094 0.000 1.217 450 L HN 0.341 nan 8.230 nan 0.000 0.420 451 P HA 0.243 nan 4.420 nan 0.000 0.274 451 P C -0.351 176.647 177.300 -0.504 0.000 1.246 451 P CA -0.292 62.496 63.100 -0.520 0.000 0.795 451 P CB 0.904 32.148 31.700 -0.760 0.000 1.006 452 A N 1.126 123.497 122.820 -0.747 0.000 2.238 452 A HA 0.176 4.496 4.320 0.000 0.000 0.208 452 A C 1.906 179.090 177.584 -0.666 0.000 1.177 452 A CA 1.167 52.486 52.037 -1.196 0.000 0.804 452 A CB -1.395 16.774 19.000 -1.383 0.000 0.823 452 A HN 0.514 nan 8.150 nan 0.000 0.482 453 A N 0.270 122.780 122.820 -0.517 0.000 1.877 453 A HA -0.102 4.218 4.320 0.000 0.000 0.216 453 A C 1.249 178.611 177.584 -0.371 0.000 1.186 453 A CA 1.733 53.456 52.037 -0.524 0.000 0.620 453 A CB -0.189 18.529 19.000 -0.471 0.000 0.822 453 A HN 0.499 nan 8.150 nan 0.000 0.443 454 N N -1.845 116.716 118.700 -0.231 0.000 2.679 454 N HA 0.152 4.892 4.740 0.000 0.000 0.240 454 N C -2.450 173.020 175.510 -0.066 0.000 1.537 454 N CA -1.033 51.961 53.050 -0.093 0.000 0.793 454 N CB 0.924 39.403 38.487 -0.015 0.000 1.391 454 N HN 0.045 nan 8.380 nan 0.000 0.524 455 P HA -0.014 nan 4.420 nan 0.000 0.226 455 P C 0.293 177.723 177.300 0.216 0.000 1.153 455 P CA 0.846 63.923 63.100 -0.038 0.000 0.777 455 P CB 0.514 32.082 31.700 -0.220 0.000 0.794 456 N N -0.282 118.547 118.700 0.216 0.000 2.422 456 N HA -0.047 4.693 4.740 0.000 0.000 0.181 456 N C 0.572 176.075 175.510 -0.013 0.000 1.080 456 N CA 0.222 53.371 53.050 0.165 0.000 0.893 456 N CB -1.081 37.440 38.487 0.056 0.000 0.973 456 N HN 0.017 nan 8.380 nan 0.000 0.456 457 N N 0.832 119.541 118.700 0.016 0.000 2.714 457 N HA -0.215 4.525 4.740 0.000 0.000 0.252 457 N C 0.785 176.247 175.510 -0.079 0.000 1.014 457 N CA 1.082 54.119 53.050 -0.022 0.000 0.735 457 N CB -1.462 37.030 38.487 0.009 0.000 0.924 457 N HN 0.506 nan 8.380 nan 0.000 0.540 458 G N -1.313 107.437 108.800 -0.083 0.000 2.196 458 G HA2 -0.381 3.579 3.960 0.000 0.000 0.268 458 G HA3 -0.381 3.579 3.960 0.000 0.000 0.268 458 G C 0.200 174.994 174.900 -0.175 0.000 0.975 458 G CA 1.023 46.060 45.100 -0.105 0.000 0.648 458 G HN 0.663 nan 8.290 nan 0.000 0.538 459 K N -0.109 120.130 120.400 -0.269 0.000 2.185 459 K HA 0.378 4.698 4.320 0.000 0.000 0.271 459 K C 1.108 177.460 176.600 -0.413 0.000 1.013 459 K CA 0.025 56.060 56.287 -0.420 0.000 0.943 459 K CB 1.098 33.197 32.500 -0.667 0.000 0.998 459 K HN 0.135 nan 8.250 nan 0.000 0.468 460 E N 1.779 121.708 120.200 -0.452 0.000 2.216 460 E HA -0.110 4.240 4.350 0.000 0.000 0.192 460 E C -0.682 175.661 176.600 -0.427 0.000 0.988 460 E CA 1.242 57.449 56.400 -0.321 0.000 0.834 460 E CB 0.131 29.723 29.700 -0.180 0.000 0.772 460 E HN 0.487 nan 8.360 nan 0.000 0.479 461 Y N -4.226 115.713 120.300 -0.602 0.000 2.732 461 Y HA 0.475 5.025 4.550 0.000 0.000 0.342 461 Y C -1.652 173.753 175.900 -0.824 0.000 1.203 461 Y CA -1.815 55.809 58.100 -0.794 0.000 1.092 461 Y CB 0.115 37.978 38.460 -0.994 0.000 1.345 461 Y HN -0.237 nan 8.280 nan 0.000 0.458 462 Y N 1.100 121.056 120.300 -0.574 0.000 2.419 462 Y HA 0.602 5.152 4.550 0.000 0.000 0.328 462 Y C -0.061 175.530 175.900 -0.515 0.000 1.162 462 Y CA -0.807 56.902 58.100 -0.652 0.000 1.174 462 Y CB 2.020 39.861 38.460 -1.031 0.000 1.228 462 Y HN 0.736 nan 8.280 nan 0.000 0.473 463 E N 1.144 121.297 120.200 -0.078 0.000 2.272 463 E HA 0.677 5.027 4.350 0.000 0.000 0.269 463 E C -2.119 174.473 176.600 -0.014 0.000 0.877 463 E CA -0.665 55.712 56.400 -0.038 0.000 0.755 463 E CB 1.744 31.459 29.700 0.024 0.000 1.192 463 E HN 0.442 nan 8.360 nan 0.000 0.422 464 V N 3.068 122.984 119.914 0.002 0.000 2.483 464 V HA 0.779 4.899 4.120 0.000 0.000 0.297 464 V C -0.415 175.627 176.094 -0.086 0.000 1.027 464 V CA -0.284 61.990 62.300 -0.043 0.000 0.855 464 V CB 1.193 32.974 31.823 -0.070 0.000 0.995 464 V HN 0.825 nan 8.190 nan 0.000 0.424 465 A N 3.576 126.353 122.820 -0.071 0.000 2.437 465 A HA 1.099 5.419 4.320 0.000 0.000 0.292 465 A C 0.022 177.589 177.584 -0.028 0.000 1.173 465 A CA -0.191 51.799 52.037 -0.080 0.000 0.785 465 A CB 2.151 21.109 19.000 -0.071 0.000 1.351 465 A HN 1.713 nan 8.150 nan 0.000 0.431 466 G N -0.595 108.205 108.800 -0.000 0.000 2.321 466 G HA2 0.440 4.400 3.960 0.000 0.000 0.298 466 G HA3 0.440 4.400 3.960 0.000 0.000 0.298 466 G C -1.438 173.517 174.900 0.092 0.000 1.385 466 G CA -1.024 44.105 45.100 0.049 0.000 0.856 466 G HN 0.709 nan 8.290 nan 0.000 0.584 467 R N -0.543 120.022 120.500 0.108 0.000 2.340 467 R HA 0.579 4.919 4.340 0.000 0.000 0.300 467 R C -1.190 175.228 176.300 0.196 0.000 1.069 467 R CA -0.308 55.872 56.100 0.134 0.000 0.984 467 R CB 0.786 31.140 30.300 0.089 0.000 1.003 467 R HN 0.386 nan 8.270 nan 0.000 0.459 468 F N 0.823 120.810 119.950 0.061 0.000 2.551 468 F HA 0.381 4.908 4.527 0.000 0.000 0.316 468 F C -0.742 175.101 175.800 0.072 0.000 1.089 468 F CA -0.331 57.711 58.000 0.070 0.000 0.915 468 F CB 2.181 41.228 39.000 0.079 0.000 1.186 468 F HN 0.315 nan 8.300 nan 0.000 0.456 469 S N 5.453 120.939 115.700 -0.357 0.000 2.605 469 S HA 0.638 5.108 4.470 0.000 0.000 0.308 469 S C -1.619 172.891 174.600 -0.150 0.000 1.113 469 S CA -0.513 57.615 58.200 -0.120 0.000 1.049 469 S CB 1.545 64.674 63.200 -0.117 0.000 1.001 469 S HN 0.607 nan 8.310 nan 0.000 0.480 470 L N 4.769 126.086 121.223 0.157 0.000 2.362 470 L HA 0.701 5.041 4.340 0.000 0.000 0.275 470 L C -1.480 175.517 176.870 0.212 0.000 0.998 470 L CA -0.346 54.631 54.840 0.228 0.000 0.820 470 L CB 0.902 43.199 42.059 0.396 0.000 1.270 470 L HN 0.654 nan 8.230 nan 0.000 0.415 471 I N 4.930 125.585 120.570 0.141 0.000 2.382 471 I HA 0.522 4.692 4.170 0.000 0.000 0.286 471 I C -0.363 175.853 176.117 0.166 0.000 1.002 471 I CA -0.219 61.155 61.300 0.124 0.000 1.135 471 I CB 1.620 39.655 38.000 0.059 0.000 1.288 471 I HN 0.820 nan 8.210 nan 0.000 0.448 472 S N 6.210 122.053 115.700 0.240 0.000 2.627 472 S HA 0.692 5.162 4.470 0.000 0.000 0.283 472 S C -1.041 173.758 174.600 0.332 0.000 1.127 472 S CA -0.887 57.476 58.200 0.272 0.000 0.863 472 S CB 2.350 65.721 63.200 0.286 0.000 1.121 472 S HN 0.423 nan 8.310 nan 0.000 0.479 473 L N 2.609 124.081 121.223 0.416 0.000 2.264 473 L HA 0.737 5.077 4.340 0.000 0.000 0.289 473 L C -0.632 176.888 176.870 1.083 0.000 1.044 473 L CA -0.264 54.920 54.840 0.572 0.000 0.807 473 L CB 1.062 43.340 42.059 0.364 0.000 1.192 473 L HN 0.799 nan 8.230 nan 0.000 0.425 474 V N 3.458 123.837 119.914 0.776 0.000 3.001 474 V HA 0.782 4.902 4.120 0.000 0.000 0.314 474 V C -2.551 173.462 176.094 -0.135 0.000 1.099 474 V CA -2.304 60.286 62.300 0.483 0.000 0.989 474 V CB 1.424 33.460 31.823 0.354 0.000 1.040 474 V HN 0.686 nan 8.190 nan 0.000 0.434 475 P HA 0.146 nan 4.420 nan 0.000 0.267 475 P C -0.137 177.014 177.300 -0.247 0.000 1.195 475 P CA 0.552 63.268 63.100 -0.640 0.000 0.773 475 P CB 0.785 32.197 31.700 -0.480 0.000 0.837 476 S N 1.132 116.720 115.700 -0.187 0.000 4.359 476 S HA 0.428 4.898 4.470 0.000 0.000 0.202 476 S C -0.148 174.426 174.600 -0.044 0.000 1.078 476 S CA -0.225 57.931 58.200 -0.074 0.000 1.776 476 S CB 0.317 63.494 63.200 -0.039 0.000 0.891 476 S HN 0.553 nan 8.310 nan 0.000 0.780 477 N N 0.752 119.439 118.700 -0.021 0.000 2.927 477 N HA 0.264 5.004 4.740 0.000 0.000 0.248 477 N C -2.389 173.133 175.510 0.019 0.000 1.443 477 N CA -0.488 52.557 53.050 -0.007 0.000 0.870 477 N CB 1.509 39.989 38.487 -0.012 0.000 1.444 477 N HN 0.363 nan 8.380 nan 0.000 0.519 478 D N 0.583 121.006 120.400 0.039 0.000 2.483 478 D HA 0.126 4.766 4.640 0.000 0.000 0.220 478 D C 0.301 176.643 176.300 0.070 0.000 1.173 478 D CA 0.138 54.201 54.000 0.106 0.000 0.964 478 D CB 0.256 41.119 40.800 0.104 0.000 1.046 478 D HN 0.430 nan 8.370 nan 0.000 0.517 479 D N 1.672 122.060 120.400 -0.019 0.000 2.149 479 D HA -0.163 4.477 4.640 0.000 0.000 0.201 479 D C 1.257 177.509 176.300 -0.080 0.000 0.972 479 D CA 0.880 54.821 54.000 -0.098 0.000 0.835 479 D CB 0.031 40.711 40.800 -0.200 0.000 0.966 479 D HN 0.448 nan 8.370 nan 0.000 0.476 480 Y N 1.073 121.387 120.300 0.022 0.000 2.321 480 Y HA -0.268 4.282 4.550 0.000 0.000 0.281 480 Y C 1.876 177.787 175.900 0.018 0.000 1.200 480 Y CA 1.433 59.548 58.100 0.024 0.000 1.269 480 Y CB -0.801 37.681 38.460 0.036 0.000 0.972 480 Y HN 0.272 nan 8.280 nan 0.000 0.550 481 Q N -0.440 119.458 119.800 0.165 0.000 2.291 481 Q HA 0.057 4.397 4.340 0.000 0.000 0.211 481 Q C -0.013 176.018 176.000 0.051 0.000 0.925 481 Q CA 0.966 56.826 55.803 0.095 0.000 0.949 481 Q CB -0.126 28.654 28.738 0.070 0.000 1.015 481 Q HN 0.227 nan 8.270 nan 0.000 0.477 482 T N 0.757 115.334 114.554 0.038 0.000 3.769 482 T HA 0.215 4.565 4.350 0.000 0.000 0.317 482 T C -2.660 172.046 174.700 0.010 0.000 0.931 482 T CA -0.525 61.585 62.100 0.016 0.000 1.005 482 T CB 0.858 69.727 68.868 0.000 0.000 1.202 482 T HN 0.230 nan 8.240 nan 0.000 0.501 483 P HA 0.607 nan 4.420 nan 0.000 0.241 483 P C -0.759 176.552 177.300 0.018 0.000 1.780 483 P CA -0.069 63.041 63.100 0.016 0.000 1.111 483 P CB -0.222 31.496 31.700 0.031 0.000 1.852 484 I N 0.316 120.892 120.570 0.011 0.000 2.735 484 I HA 0.100 4.270 4.170 0.000 0.000 0.287 484 I C -0.537 175.584 176.117 0.005 0.000 1.452 484 I CA -0.396 60.910 61.300 0.010 0.000 1.061 484 I CB 2.381 40.389 38.000 0.013 0.000 1.383 484 I HN -0.127 nan 8.210 nan 0.000 0.425 485 T N 3.886 118.443 114.554 0.005 0.000 2.728 485 T HA 0.163 4.513 4.350 0.000 0.000 0.296 485 T C 1.126 175.828 174.700 0.003 0.000 0.940 485 T CA -0.259 61.843 62.100 0.003 0.000 1.013 485 T CB 0.263 69.132 68.868 0.002 0.000 0.912 485 T HN 0.553 nan 8.240 nan 0.000 0.484 486 N N 1.692 120.394 118.700 0.002 0.000 2.567 486 N HA -0.167 4.573 4.740 0.000 0.000 0.198 486 N C 1.660 177.171 175.510 0.003 0.000 1.054 486 N CA 0.634 53.686 53.050 0.003 0.000 0.924 486 N CB 0.019 38.507 38.487 0.002 0.000 0.945 486 N HN 0.358 nan 8.380 nan 0.000 0.452 487 S N -0.159 115.543 115.700 0.003 0.000 2.362 487 S HA -0.044 4.426 4.470 0.000 0.000 0.221 487 S C 2.176 176.778 174.600 0.003 0.000 1.032 487 S CA 0.402 58.603 58.200 0.003 0.000 0.973 487 S CB -0.171 63.031 63.200 0.003 0.000 0.849 487 S HN 0.103 nan 8.310 nan 0.000 0.465 488 V N 1.494 121.411 119.914 0.004 0.000 2.277 488 V HA -0.332 3.788 4.120 0.000 0.000 0.256 488 V C 1.998 178.094 176.094 0.004 0.000 1.069 488 V CA 2.321 64.624 62.300 0.004 0.000 1.096 488 V CB -1.564 30.262 31.823 0.006 0.000 0.741 488 V HN 0.561 nan 8.190 nan 0.000 0.470 489 T N -1.309 113.247 114.554 0.004 0.000 2.905 489 T HA 0.359 4.709 4.350 0.000 0.000 0.400 489 T C -0.093 174.609 174.700 0.002 0.000 1.098 489 T CA 1.104 63.206 62.100 0.003 0.000 1.095 489 T CB 0.857 69.727 68.868 0.003 0.000 1.281 489 T HN 1.067 nan 8.240 nan 0.000 0.515 490 V N -0.605 119.310 119.914 0.002 0.000 2.558 490 V HA 0.279 4.399 4.120 0.000 0.000 0.313 490 V C -0.252 175.842 176.094 0.000 0.000 1.934 490 V CA 0.263 62.563 62.300 0.001 0.000 0.848 490 V CB 0.649 32.473 31.823 0.001 0.000 1.217 490 V HN 0.956 nan 8.190 nan 0.000 0.295 491 R N -0.079 120.421 120.500 -0.000 0.000 2.517 491 R HA 0.324 4.664 4.340 0.000 0.000 0.228 491 R C -0.758 175.540 176.300 -0.002 0.000 0.950 491 R CA 0.143 56.242 56.100 -0.002 0.000 1.314 491 R CB 0.530 30.829 30.300 -0.001 0.000 1.739 491 R HN 0.738 nan 8.270 nan 0.000 0.481 492 Q N 0.607 120.406 119.800 -0.002 0.000 2.320 492 Q HA 0.329 4.669 4.340 0.000 0.000 0.272 492 Q C -1.958 174.041 176.000 -0.002 0.000 1.023 492 Q CA -0.558 55.243 55.803 -0.003 0.000 0.855 492 Q CB 2.713 31.450 28.738 -0.002 0.000 1.367 492 Q HN 0.112 nan 8.270 nan 0.000 0.406 493 D N 1.322 121.720 120.400 -0.002 0.000 2.683 493 D HA 0.333 4.973 4.640 0.000 0.000 0.246 493 D C 0.121 176.420 176.300 -0.002 0.000 1.238 493 D CA -0.483 53.517 54.000 -0.001 0.000 0.759 493 D CB 1.299 42.100 40.800 0.000 0.000 1.349 493 D HN 0.383 nan 8.370 nan 0.000 0.426 494 L N 1.349 122.572 121.223 0.001 0.000 4.235 494 L HA -0.235 4.105 4.340 0.000 0.000 0.385 494 L C 1.370 178.238 176.870 -0.002 0.000 0.733 494 L CA 3.049 57.889 54.840 0.001 0.000 2.629 494 L CB -1.164 40.894 42.059 -0.002 0.000 1.001 494 L HN 0.719 nan 8.230 nan 0.000 0.662 495 E N -0.262 119.935 120.200 -0.005 0.000 2.017 495 E HA -0.320 4.030 4.350 0.000 0.000 0.193 495 E C 1.969 178.568 176.600 -0.002 0.000 0.997 495 E CA 1.537 57.933 56.400 -0.008 0.000 0.804 495 E CB -0.106 29.588 29.700 -0.009 0.000 0.757 495 E HN 0.474 nan 8.360 nan 0.000 0.448 496 R N 0.679 121.180 120.500 0.002 0.000 2.159 496 R HA -0.259 4.081 4.340 0.000 0.000 0.249 496 R C 2.292 178.599 176.300 0.012 0.000 1.136 496 R CA 2.634 58.738 56.100 0.007 0.000 0.951 496 R CB -0.587 29.718 30.300 0.007 0.000 0.876 496 R HN 0.369 nan 8.270 nan 0.000 0.440 497 Q N -0.770 119.038 119.800 0.013 0.000 2.119 497 Q HA -0.085 4.255 4.340 0.000 0.000 0.201 497 Q C 1.929 177.942 176.000 0.023 0.000 0.972 497 Q CA 1.331 57.146 55.803 0.021 0.000 0.847 497 Q CB -0.275 28.475 28.738 0.021 0.000 0.903 497 Q HN 0.252 nan 8.270 nan 0.000 0.433 498 L N 0.501 121.729 121.223 0.009 0.000 2.109 498 L HA 0.062 4.402 4.340 0.000 0.000 0.207 498 L C 1.996 178.857 176.870 -0.014 0.000 1.086 498 L CA 2.099 56.935 54.840 -0.007 0.000 0.760 498 L CB -1.067 40.979 42.059 -0.021 0.000 0.910 498 L HN 0.197 nan 8.230 nan 0.000 0.437 499 G N -0.963 107.833 108.800 -0.006 0.000 2.404 499 G HA2 -0.308 3.652 3.960 0.000 0.000 0.215 499 G HA3 -0.308 3.652 3.960 0.000 0.000 0.215 499 G C 1.314 176.223 174.900 0.015 0.000 1.174 499 G CA 0.820 45.918 45.100 -0.003 0.000 0.780 499 G HN 0.494 nan 8.290 nan 0.000 0.537 500 E N 0.797 121.012 120.200 0.024 0.000 2.017 500 E HA -0.265 4.085 4.350 0.000 0.000 0.220 500 E C 2.353 178.994 176.600 0.069 0.000 1.032 500 E CA 1.845 58.270 56.400 0.041 0.000 0.888 500 E CB -0.867 28.857 29.700 0.039 0.000 0.801 500 E HN 0.304 nan 8.360 nan 0.000 0.503 501 L N -0.062 121.214 121.223 0.088 0.000 2.223 501 L HA -0.445 3.895 4.340 0.000 0.000 0.230 501 L C 2.836 179.858 176.870 0.255 0.000 1.110 501 L CA 2.499 57.443 54.840 0.174 0.000 0.834 501 L CB -0.825 41.323 42.059 0.148 0.000 0.915 501 L HN 0.287 nan 8.230 nan 0.000 0.450 502 R N 0.030 120.595 120.500 0.108 0.000 2.132 502 R HA -0.249 4.091 4.340 0.000 0.000 0.233 502 R C 2.037 178.453 176.300 0.193 0.000 1.125 502 R CA 2.191 58.354 56.100 0.105 0.000 0.914 502 R CB -0.775 29.538 30.300 0.020 0.000 0.845 502 R HN 0.550 nan 8.270 nan 0.000 0.431 503 E N 0.566 120.838 120.200 0.120 0.000 2.324 503 E HA -0.279 4.071 4.350 0.000 0.000 0.205 503 E C 1.654 178.321 176.600 0.112 0.000 1.031 503 E CA 1.762 58.221 56.400 0.098 0.000 0.836 503 E CB -0.212 29.528 29.700 0.067 0.000 0.742 503 E HN 0.586 nan 8.360 nan 0.000 0.491 504 E N -0.250 120.044 120.200 0.157 0.000 2.166 504 E HA -0.008 4.342 4.350 0.000 0.000 0.192 504 E C 1.650 178.309 176.600 0.098 0.000 0.967 504 E CA 0.145 56.607 56.400 0.103 0.000 0.840 504 E CB -0.098 29.647 29.700 0.075 0.000 0.795 504 E HN 0.133 nan 8.360 nan 0.000 0.470 505 F N 2.610 122.580 119.950 0.033 0.000 2.091 505 F HA -0.257 4.270 4.527 0.000 0.000 0.299 505 F C 2.075 177.895 175.800 0.033 0.000 1.103 505 F CA 1.318 59.344 58.000 0.044 0.000 1.228 505 F CB -0.482 38.563 39.000 0.075 0.000 0.984 505 F HN 0.008 nan 8.300 nan 0.000 0.477 506 N N 0.628 119.463 118.700 0.226 0.000 2.000 506 N HA -0.248 4.492 4.740 0.000 0.000 0.198 506 N C 2.086 177.631 175.510 0.058 0.000 1.057 506 N CA 1.772 54.892 53.050 0.117 0.000 0.858 506 N CB -1.275 37.266 38.487 0.090 0.000 1.057 506 N HN 0.284 nan 8.380 nan 0.000 0.423 507 A N 1.269 124.116 122.820 0.046 0.000 1.927 507 A HA -0.156 4.164 4.320 0.000 0.000 0.220 507 A C 2.236 179.818 177.584 -0.004 0.000 1.185 507 A CA 1.393 53.440 52.037 0.017 0.000 0.639 507 A CB -0.883 18.126 19.000 0.014 0.000 0.820 507 A HN 0.261 nan 8.150 nan 0.000 0.451 508 L N -0.155 121.055 121.223 -0.021 0.000 2.353 508 L HA -0.053 4.287 4.340 0.000 0.000 0.220 508 L C 2.356 179.202 176.870 -0.041 0.000 1.133 508 L CA 2.032 56.837 54.840 -0.058 0.000 0.798 508 L CB -0.423 41.551 42.059 -0.141 0.000 0.922 508 L HN 0.313 nan 8.230 nan 0.000 0.445 509 S N -0.800 114.893 115.700 -0.012 0.000 2.377 509 S HA -0.189 4.281 4.470 0.000 0.000 0.223 509 S C 1.662 176.252 174.600 -0.016 0.000 1.030 509 S CA 0.908 59.102 58.200 -0.010 0.000 0.970 509 S CB -0.289 62.912 63.200 0.002 0.000 0.830 509 S HN 0.716 nan 8.310 nan 0.000 0.473 510 Q N 1.165 120.958 119.800 -0.012 0.000 2.534 510 Q HA -0.201 4.139 4.340 0.000 0.000 0.218 510 Q C 0.999 176.990 176.000 -0.015 0.000 0.989 510 Q CA 1.437 57.232 55.803 -0.013 0.000 0.903 510 Q CB -0.285 28.449 28.738 -0.008 0.000 0.942 510 Q HN 0.590 nan 8.270 nan 0.000 0.501 511 E N 0.207 120.396 120.200 -0.019 0.000 2.434 511 E HA 0.214 4.564 4.350 0.000 0.000 0.207 511 E C 0.125 176.714 176.600 -0.020 0.000 0.929 511 E CA -0.348 56.040 56.400 -0.019 0.000 1.001 511 E CB 0.399 30.086 29.700 -0.022 0.000 1.016 511 E HN 0.374 nan 8.360 nan 0.000 0.502 512 I N 2.670 123.227 120.570 -0.021 0.000 2.989 512 I HA -0.169 4.001 4.170 0.000 0.000 0.311 512 I C 1.059 177.165 176.117 -0.019 0.000 1.221 512 I CA -0.150 61.138 61.300 -0.020 0.000 1.449 512 I CB 0.162 38.150 38.000 -0.020 0.000 1.325 512 I HN 0.059 nan 8.210 nan 0.000 0.557 513 A N 7.323 130.133 122.820 -0.017 0.000 2.227 513 A HA 0.288 4.608 4.320 0.000 0.000 0.279 513 A C 1.048 178.622 177.584 -0.017 0.000 1.367 513 A CA 0.456 52.484 52.037 -0.015 0.000 0.824 513 A CB 0.317 19.309 19.000 -0.013 0.000 1.214 513 A HN 0.861 nan 8.150 nan 0.000 0.514 514 M N -2.484 117.107 119.600 -0.016 0.000 3.192 514 M HA 0.033 4.513 4.480 0.000 0.000 0.213 514 M C 2.279 178.568 176.300 -0.018 0.000 1.723 514 M CA 0.844 56.132 55.300 -0.020 0.000 1.408 514 M CB -0.593 31.996 32.600 -0.019 0.000 1.067 514 M HN 0.668 nan 8.290 nan 0.000 0.595 515 S N 1.182 116.874 115.700 -0.013 0.000 2.368 515 S HA -0.187 4.283 4.470 0.000 0.000 0.226 515 S C 1.796 176.390 174.600 -0.010 0.000 1.044 515 S CA 1.478 59.672 58.200 -0.010 0.000 1.062 515 S CB -0.566 62.630 63.200 -0.006 0.000 0.931 515 S HN 0.388 nan 8.310 nan 0.000 0.440 516 Q N 0.654 120.448 119.800 -0.009 0.000 2.197 516 Q HA -0.081 4.259 4.340 0.000 0.000 0.207 516 Q C 2.164 178.159 176.000 -0.009 0.000 0.984 516 Q CA 0.898 56.697 55.803 -0.008 0.000 0.869 516 Q CB -0.939 27.794 28.738 -0.008 0.000 0.906 516 Q HN 0.462 nan 8.270 nan 0.000 0.426 517 L N 0.637 121.853 121.223 -0.012 0.000 1.961 517 L HA -0.103 4.237 4.340 0.000 0.000 0.209 517 L C 2.213 179.073 176.870 -0.015 0.000 1.075 517 L CA 1.337 56.169 54.840 -0.013 0.000 0.749 517 L CB -0.920 41.129 42.059 -0.018 0.000 0.890 517 L HN 0.129 nan 8.230 nan 0.000 0.433 518 I N 0.140 120.696 120.570 -0.024 0.000 2.253 518 I HA -0.507 3.663 4.170 0.000 0.000 0.234 518 I C 2.227 178.331 176.117 -0.021 0.000 0.978 518 I CA 2.028 63.309 61.300 -0.031 0.000 1.271 518 I CB -1.142 36.839 38.000 -0.033 0.000 0.978 518 I HN 0.422 nan 8.210 nan 0.000 0.394 519 D N 0.885 121.277 120.400 -0.014 0.000 2.204 519 D HA -0.228 4.412 4.640 0.000 0.000 0.189 519 D C 1.637 177.935 176.300 -0.003 0.000 1.006 519 D CA 1.457 55.453 54.000 -0.007 0.000 0.855 519 D CB -0.654 40.145 40.800 -0.002 0.000 0.946 519 D HN 0.210 nan 8.370 nan 0.000 0.448 520 L N 0.184 121.407 121.223 -0.001 0.000 3.566 520 L HA 0.139 4.479 4.340 0.000 0.000 0.256 520 L C 0.485 177.358 176.870 0.006 0.000 1.404 520 L CA 0.222 55.065 54.840 0.006 0.000 1.080 520 L CB -0.959 41.104 42.059 0.007 0.000 1.522 520 L HN 0.060 nan 8.230 nan 0.000 0.430 521 A N 0.527 123.348 122.820 0.001 0.000 2.474 521 A HA 0.372 4.692 4.320 0.000 0.000 0.249 521 A C 0.458 178.038 177.584 -0.007 0.000 0.891 521 A CA -0.271 51.763 52.037 -0.004 0.000 1.135 521 A CB -0.169 18.819 19.000 -0.020 0.000 1.191 521 A HN 0.320 nan 8.150 nan 0.000 0.471 522 L N -0.295 120.928 121.223 0.001 0.000 3.429 522 L HA 0.396 4.736 4.340 0.000 0.000 0.311 522 L C -0.724 176.153 176.870 0.012 0.000 1.274 522 L CA 0.080 54.921 54.840 0.002 0.000 1.037 522 L CB 1.301 43.358 42.059 -0.003 0.000 1.433 522 L HN 0.291 nan 8.230 nan 0.000 0.614 523 L N 1.338 122.572 121.223 0.018 0.000 2.377 523 L HA 0.563 4.903 4.340 0.000 0.000 0.270 523 L C -2.281 174.611 176.870 0.037 0.000 0.991 523 L CA -1.630 53.226 54.840 0.027 0.000 0.851 523 L CB 1.313 43.388 42.059 0.027 0.000 1.218 523 L HN -0.224 nan 8.230 nan 0.000 0.420 524 P HA -0.073 nan 4.420 nan 0.000 0.191 524 P C -0.066 177.274 177.300 0.067 0.000 1.337 524 P CA 0.062 63.193 63.100 0.053 0.000 0.945 524 P CB -0.542 31.189 31.700 0.052 0.000 1.664 525 L N 1.948 123.209 121.223 0.062 0.000 2.843 525 L HA -0.042 4.298 4.340 0.000 0.000 0.296 525 L C 0.511 177.432 176.870 0.085 0.000 1.228 525 L CA 0.323 55.203 54.840 0.066 0.000 1.188 525 L CB -1.333 40.755 42.059 0.049 0.000 1.475 525 L HN 0.128 nan 8.230 nan 0.000 0.433 526 D N 1.585 122.048 120.400 0.105 0.000 2.511 526 D HA 0.199 4.839 4.640 0.000 0.000 0.276 526 D C 1.334 177.732 176.300 0.162 0.000 1.220 526 D CA -0.562 53.511 54.000 0.122 0.000 1.077 526 D CB 0.432 41.300 40.800 0.113 0.000 1.126 526 D HN 0.210 nan 8.370 nan 0.000 0.583 527 M N -0.791 118.916 119.600 0.179 0.000 4.029 527 M HA -0.233 4.247 4.480 0.000 0.000 0.292 527 M C 2.120 178.605 176.300 0.309 0.000 1.018 527 M CA 1.897 57.342 55.300 0.242 0.000 1.040 527 M CB -1.374 31.296 32.600 0.116 0.000 1.213 527 M HN 0.591 nan 8.290 nan 0.000 0.652 528 F N 1.138 121.163 119.950 0.125 0.000 2.176 528 F HA -0.272 4.255 4.527 0.000 0.000 0.301 528 F C 2.442 178.328 175.800 0.143 0.000 1.071 528 F CA 2.096 60.167 58.000 0.119 0.000 1.289 528 F CB -0.342 38.695 39.000 0.062 0.000 1.028 528 F HN 0.182 nan 8.300 nan 0.000 0.494 529 S N 0.650 116.382 115.700 0.054 0.000 2.338 529 S HA -0.223 4.247 4.470 0.000 0.000 0.218 529 S C 1.956 176.466 174.600 -0.150 0.000 1.032 529 S CA 1.707 59.868 58.200 -0.065 0.000 0.999 529 S CB -0.456 62.776 63.200 0.054 0.000 0.905 529 S HN 0.404 nan 8.310 nan 0.000 0.439 530 M N 0.512 120.039 119.600 -0.121 0.000 2.106 530 M HA -0.112 4.368 4.480 0.000 0.000 0.259 530 M C 0.449 176.418 176.300 -0.553 0.000 1.068 530 M CA 1.563 56.634 55.300 -0.382 0.000 1.100 530 M CB -0.569 31.654 32.600 -0.628 0.000 1.351 530 M HN 0.217 nan 8.290 nan 0.000 0.404 531 F N -0.850 119.003 119.950 -0.162 0.000 2.898 531 F HA 0.275 4.802 4.527 0.000 0.000 0.290 531 F C 1.661 177.319 175.800 -0.237 0.000 1.195 531 F CA -0.328 57.578 58.000 -0.156 0.000 1.387 531 F CB -0.829 38.099 39.000 -0.119 0.000 0.976 531 F HN 0.008 nan 8.300 nan 0.000 0.510 532 S N 0.287 115.872 115.700 -0.191 0.000 2.346 532 S HA 0.238 4.708 4.470 0.000 0.000 0.204 532 S C 1.993 176.519 174.600 -0.122 0.000 1.008 532 S CA 0.813 58.855 58.200 -0.265 0.000 0.925 532 S CB -0.699 62.293 63.200 -0.346 0.000 0.903 532 S HN 0.431 nan 8.310 nan 0.000 0.537 533 G N 1.011 109.749 108.800 -0.104 0.000 2.572 533 G HA2 0.172 4.132 3.960 0.000 0.000 0.144 533 G HA3 0.172 4.132 3.960 0.000 0.000 0.144 533 G C 0.732 175.604 174.900 -0.046 0.000 1.747 533 G CA 0.479 45.542 45.100 -0.061 0.000 1.007 533 G HN 0.680 nan 8.290 nan 0.000 0.452 534 I N -0.587 119.959 120.570 -0.041 0.000 3.560 534 I HA -0.380 3.790 4.170 0.000 0.000 0.194 534 I C 1.432 177.546 176.117 -0.005 0.000 0.421 534 I CA 1.547 62.832 61.300 -0.024 0.000 1.281 534 I CB -1.419 36.565 38.000 -0.026 0.000 1.085 534 I HN 1.049 nan 8.210 nan 0.000 0.283 535 K N -0.372 120.025 120.400 -0.005 0.000 1.782 535 K HA -0.388 3.932 4.320 0.000 0.000 0.503 535 K C 0.667 177.274 176.600 0.013 0.000 1.802 535 K CA 1.075 57.364 56.287 0.003 0.000 0.860 535 K CB -1.492 31.009 32.500 0.002 0.000 1.373 535 K HN 0.303 nan 8.250 nan 0.000 0.711 536 S N 0.130 115.837 115.700 0.013 0.000 4.152 536 S HA -0.387 4.083 4.470 0.000 0.000 0.538 536 S C 0.070 174.681 174.600 0.019 0.000 1.066 536 S CA 4.960 63.169 58.200 0.015 0.000 3.499 536 S CB -2.124 61.085 63.200 0.015 0.000 2.223 536 S HN 2.557 nan 8.310 nan 0.000 0.462 537 T N -0.371 114.196 114.554 0.022 0.000 1.190 537 T HA -0.163 4.187 4.350 0.000 0.000 0.698 537 T C -0.277 174.434 174.700 0.018 0.000 0.975 537 T CA 0.622 62.736 62.100 0.024 0.000 3.698 537 T CB -1.900 66.989 68.868 0.035 0.000 2.099 537 T HN 0.699 nan 8.240 nan 0.000 0.381 538 I N 3.260 123.838 120.570 0.014 0.000 2.268 538 I HA 0.214 4.384 4.170 0.000 0.000 0.290 538 I C 1.145 177.266 176.117 0.007 0.000 1.125 538 I CA 0.388 61.694 61.300 0.011 0.000 1.236 538 I CB -0.246 37.760 38.000 0.010 0.000 1.469 538 I HN 0.930 nan 8.210 nan 0.000 0.512 539 D N 3.413 123.815 120.400 0.005 0.000 3.059 539 D HA -0.253 4.387 4.640 0.000 0.000 0.222 539 D C 1.427 177.723 176.300 -0.006 0.000 1.185 539 D CA 1.282 55.280 54.000 -0.003 0.000 0.904 539 D CB -0.114 40.685 40.800 -0.003 0.000 1.122 539 D HN 0.650 nan 8.370 nan 0.000 0.410 540 A N 0.717 123.539 122.820 0.004 0.000 2.010 540 A HA 0.350 4.670 4.320 0.000 0.000 0.204 540 A C 2.490 180.079 177.584 0.009 0.000 1.364 540 A CA 1.790 53.833 52.037 0.011 0.000 0.622 540 A CB -1.241 17.772 19.000 0.021 0.000 0.983 540 A HN 0.544 nan 8.150 nan 0.000 0.491 541 A N -0.698 122.142 122.820 0.033 0.000 2.117 541 A HA -0.261 4.059 4.320 0.000 0.000 0.224 541 A C 1.971 179.517 177.584 -0.063 0.000 1.167 541 A CA 2.408 54.480 52.037 0.059 0.000 0.664 541 A CB -0.618 18.453 19.000 0.119 0.000 0.811 541 A HN 0.535 nan 8.150 nan 0.000 0.470 542 K N -0.076 120.288 120.400 -0.059 0.000 1.975 542 K HA -0.022 4.298 4.320 0.000 0.000 0.217 542 K C 1.984 178.514 176.600 -0.116 0.000 1.037 542 K CA 1.557 57.787 56.287 -0.095 0.000 0.971 542 K CB -1.378 31.094 32.500 -0.046 0.000 0.749 542 K HN 0.355 nan 8.250 nan 0.000 0.444 543 S N 1.122 116.781 115.700 -0.069 0.000 2.500 543 S HA -0.086 4.384 4.470 0.000 0.000 0.239 543 S C 1.879 176.439 174.600 -0.066 0.000 0.989 543 S CA 0.933 59.095 58.200 -0.063 0.000 0.951 543 S CB -0.162 63.017 63.200 -0.035 0.000 0.759 543 S HN 0.161 nan 8.310 nan 0.000 0.523 544 M N 1.821 121.383 119.600 -0.063 0.000 2.115 544 M HA 0.170 4.650 4.480 0.000 0.000 0.261 544 M C 2.248 178.493 176.300 -0.091 0.000 1.079 544 M CA 1.285 56.566 55.300 -0.032 0.000 1.143 544 M CB -0.809 31.805 32.600 0.024 0.000 1.332 544 M HN 0.278 nan 8.290 nan 0.000 0.421 545 A N -1.246 121.414 122.820 -0.268 0.000 2.139 545 A HA -0.163 4.157 4.320 0.000 0.000 0.221 545 A C 2.071 179.445 177.584 -0.350 0.000 1.159 545 A CA 2.216 53.883 52.037 -0.617 0.000 0.662 545 A CB -1.151 17.155 19.000 -1.157 0.000 0.796 545 A HN 0.579 nan 8.150 nan 0.000 0.463 546 T N -1.340 113.083 114.554 -0.218 0.000 3.010 546 T HA 0.010 4.360 4.350 0.000 0.000 0.252 546 T C 2.203 176.849 174.700 -0.090 0.000 1.047 546 T CA 1.152 63.160 62.100 -0.153 0.000 1.140 546 T CB -0.026 68.772 68.868 -0.118 0.000 0.885 546 T HN 0.442 nan 8.240 nan 0.000 0.464 547 S N 1.287 116.951 115.700 -0.059 0.000 2.371 547 S HA -0.038 4.432 4.470 0.000 0.000 0.224 547 S C 2.318 176.921 174.600 0.004 0.000 1.029 547 S CA 0.549 58.738 58.200 -0.019 0.000 0.978 547 S CB -0.427 62.770 63.200 -0.005 0.000 0.833 547 S HN 0.230 nan 8.310 nan 0.000 0.466 548 V N 2.542 122.464 119.914 0.013 0.000 2.453 548 V HA -0.235 3.885 4.120 0.000 0.000 0.252 548 V C 2.287 178.411 176.094 0.049 0.000 1.068 548 V CA 1.421 63.758 62.300 0.062 0.000 1.070 548 V CB -0.657 31.239 31.823 0.121 0.000 0.664 548 V HN 0.463 nan 8.190 nan 0.000 0.461 549 M N -0.263 119.317 119.600 -0.033 0.000 2.081 549 M HA -0.106 4.374 4.480 0.000 0.000 0.261 549 M C 2.054 178.379 176.300 0.043 0.000 1.075 549 M CA 1.501 56.777 55.300 -0.040 0.000 1.133 549 M CB -1.261 31.271 32.600 -0.113 0.000 1.330 549 M HN 0.200 nan 8.290 nan 0.000 0.414 550 K N 0.757 121.162 120.400 0.008 0.000 2.703 550 K HA -0.156 4.164 4.320 0.000 0.000 0.197 550 K C 1.019 177.637 176.600 0.031 0.000 1.016 550 K CA 0.761 57.057 56.287 0.015 0.000 0.981 550 K CB 0.237 32.737 32.500 -0.001 0.000 0.805 550 K HN 0.139 nan 8.250 nan 0.000 0.490 551 K N -1.060 119.379 120.400 0.065 0.000 2.412 551 K HA 0.052 4.372 4.320 0.000 0.000 0.201 551 K C 1.537 178.172 176.600 0.058 0.000 1.275 551 K CA 0.189 56.506 56.287 0.050 0.000 0.910 551 K CB -0.508 32.027 32.500 0.057 0.000 1.346 551 K HN -0.014 nan 8.250 nan 0.000 0.490 552 F N 3.420 123.330 119.950 -0.067 0.000 2.025 552 F HA -0.214 4.313 4.527 0.000 0.000 0.297 552 F C 1.184 176.952 175.800 -0.054 0.000 1.132 552 F CA 1.771 59.725 58.000 -0.076 0.000 1.191 552 F CB -0.353 38.594 39.000 -0.089 0.000 0.963 552 F HN -0.043 nan 8.300 nan 0.000 0.481 553 K N 1.234 121.724 120.400 0.150 0.000 2.652 553 K HA 0.001 4.321 4.320 0.000 0.000 0.239 553 K C -0.003 176.607 176.600 0.016 0.000 1.235 553 K CA 0.499 56.825 56.287 0.066 0.000 1.191 553 K CB -0.467 32.069 32.500 0.061 0.000 1.348 553 K HN 0.323 nan 8.250 nan 0.000 0.239 554 K N 0.367 120.753 120.400 -0.023 0.000 3.496 554 K HA -0.013 4.307 4.320 0.000 0.000 0.135 554 K C -1.650 174.906 176.600 -0.073 0.000 1.127 554 K CA -0.020 56.245 56.287 -0.036 0.000 0.813 554 K CB -0.088 32.401 32.500 -0.019 0.000 0.831 554 K HN 0.357 nan 8.250 nan 0.000 0.389 555 S N -2.224 113.410 115.700 -0.109 0.000 2.757 555 S HA 0.575 5.045 4.470 0.000 0.000 0.285 555 S C 1.048 175.559 174.600 -0.148 0.000 1.196 555 S CA 0.053 58.165 58.200 -0.147 0.000 0.856 555 S CB 0.639 63.702 63.200 -0.229 0.000 1.212 555 S HN 0.310 nan 8.310 nan 0.000 0.516 556 G N 1.751 110.460 108.800 -0.152 0.000 2.900 556 G HA2 -0.176 3.784 3.960 0.000 0.000 0.212 556 G HA3 -0.176 3.784 3.960 0.000 0.000 0.212 556 G C 1.386 176.211 174.900 -0.125 0.000 1.359 556 G CA 1.371 46.398 45.100 -0.122 0.000 0.800 556 G HN 0.721 nan 8.290 nan 0.000 0.680 557 L N 0.859 121.988 121.223 -0.157 0.000 2.113 557 L HA -0.305 4.035 4.340 0.000 0.000 0.221 557 L C 3.342 180.164 176.870 -0.080 0.000 1.084 557 L CA 1.682 56.455 54.840 -0.112 0.000 0.787 557 L CB -1.070 40.897 42.059 -0.154 0.000 0.893 557 L HN 0.473 nan 8.230 nan 0.000 0.440 558 A N 1.044 123.793 122.820 -0.120 0.000 2.125 558 A HA -0.271 4.049 4.320 0.000 0.000 0.199 558 A C 1.891 179.457 177.584 -0.030 0.000 1.193 558 A CA 2.048 54.056 52.037 -0.047 0.000 0.747 558 A CB -1.064 17.902 19.000 -0.056 0.000 0.853 558 A HN 0.555 nan 8.150 nan 0.000 0.513 559 N N 0.738 119.415 118.700 -0.038 0.000 2.106 559 N HA -0.321 4.419 4.740 0.000 0.000 0.200 559 N C 2.027 177.514 175.510 -0.039 0.000 1.014 559 N CA 2.713 55.742 53.050 -0.034 0.000 0.891 559 N CB -1.190 37.273 38.487 -0.040 0.000 1.069 559 N HN 0.750 nan 8.380 nan 0.000 0.490 560 S N 1.431 117.101 115.700 -0.050 0.000 2.389 560 S HA -0.192 4.278 4.470 0.000 0.000 0.229 560 S C 2.285 176.847 174.600 -0.062 0.000 1.048 560 S CA 2.260 60.424 58.200 -0.060 0.000 1.117 560 S CB -1.148 62.015 63.200 -0.061 0.000 1.020 560 S HN 0.170 nan 8.310 nan 0.000 0.430 561 V N 1.947 121.837 119.914 -0.040 0.000 2.380 561 V HA -0.174 3.946 4.120 0.000 0.000 0.251 561 V C 2.994 179.074 176.094 -0.022 0.000 1.063 561 V CA 2.143 64.427 62.300 -0.025 0.000 1.055 561 V CB -1.190 30.648 31.823 0.024 0.000 0.657 561 V HN 0.745 nan 8.190 nan 0.000 0.455 562 S N -1.381 114.311 115.700 -0.014 0.000 2.442 562 S HA -0.180 4.290 4.470 0.000 0.000 0.236 562 S C 1.971 176.556 174.600 -0.026 0.000 1.007 562 S CA 1.984 60.179 58.200 -0.008 0.000 0.965 562 S CB -0.235 62.963 63.200 -0.003 0.000 0.773 562 S HN 0.721 nan 8.310 nan 0.000 0.504 563 T N 2.326 116.852 114.554 -0.048 0.000 2.706 563 T HA 0.031 4.381 4.350 0.000 0.000 0.255 563 T C 1.665 176.312 174.700 -0.088 0.000 1.048 563 T CA 1.201 63.263 62.100 -0.063 0.000 1.153 563 T CB -0.600 68.223 68.868 -0.074 0.000 0.865 563 T HN 0.343 nan 8.240 nan 0.000 0.414 564 L N 1.465 122.603 121.223 -0.142 0.000 2.030 564 L HA -0.236 4.104 4.340 0.000 0.000 0.222 564 L C 2.367 179.167 176.870 -0.118 0.000 1.082 564 L CA 2.203 56.908 54.840 -0.225 0.000 0.785 564 L CB -1.490 40.353 42.059 -0.360 0.000 0.895 564 L HN 0.278 nan 8.230 nan 0.000 0.439 565 T N -0.181 114.341 114.554 -0.053 0.000 2.592 565 T HA -0.253 4.097 4.350 0.000 0.000 0.267 565 T C 1.547 176.252 174.700 0.008 0.000 1.060 565 T CA 1.882 63.986 62.100 0.007 0.000 1.167 565 T CB -0.567 68.312 68.868 0.018 0.000 0.863 565 T HN 0.530 nan 8.240 nan 0.000 0.431 566 D N 1.066 121.460 120.400 -0.009 0.000 2.078 566 D HA -0.052 4.588 4.640 0.000 0.000 0.193 566 D C 2.410 178.706 176.300 -0.006 0.000 0.990 566 D CA 1.252 55.250 54.000 -0.004 0.000 0.827 566 D CB -0.535 40.258 40.800 -0.011 0.000 0.975 566 D HN 0.267 nan 8.370 nan 0.000 0.451 567 S N 0.547 116.230 115.700 -0.029 0.000 2.462 567 S HA -0.164 4.306 4.470 0.000 0.000 0.251 567 S C 1.977 176.577 174.600 0.001 0.000 1.018 567 S CA 0.603 58.784 58.200 -0.031 0.000 0.988 567 S CB -0.149 63.005 63.200 -0.077 0.000 0.766 567 S HN 0.268 nan 8.310 nan 0.000 0.504 568 L N 0.019 121.256 121.223 0.024 0.000 2.187 568 L HA 0.017 4.357 4.340 0.000 0.000 0.197 568 L C 2.496 179.395 176.870 0.049 0.000 1.090 568 L CA 0.628 55.508 54.840 0.068 0.000 0.781 568 L CB -0.885 41.244 42.059 0.116 0.000 0.956 568 L HN 0.221 nan 8.230 nan 0.000 0.463 569 S N 0.273 115.997 115.700 0.039 0.000 2.389 569 S HA -0.269 4.201 4.470 0.000 0.000 0.229 569 S C 1.249 175.863 174.600 0.022 0.000 1.048 569 S CA 1.840 60.057 58.200 0.029 0.000 1.117 569 S CB -0.583 62.630 63.200 0.023 0.000 1.020 569 S HN 0.433 nan 8.310 nan 0.000 0.430 570 D N 1.176 121.585 120.400 0.016 0.000 2.400 570 D HA 0.117 4.757 4.640 0.000 0.000 0.242 570 D C 0.913 177.221 176.300 0.013 0.000 1.077 570 D CA 0.688 54.694 54.000 0.011 0.000 0.943 570 D CB -0.032 40.770 40.800 0.004 0.000 0.882 570 D HN 0.442 nan 8.370 nan 0.000 0.529 571 A N -0.646 122.187 122.820 0.021 0.000 2.653 571 A HA 0.540 4.860 4.320 0.000 0.000 0.248 571 A C 1.417 179.018 177.584 0.028 0.000 1.211 571 A CA 0.332 52.383 52.037 0.024 0.000 0.991 571 A CB 0.834 19.852 19.000 0.031 0.000 1.252 571 A HN 0.151 nan 8.150 nan 0.000 0.593 572 A N -0.615 122.221 122.820 0.028 0.000 1.988 572 A HA 0.315 4.635 4.320 0.000 0.000 0.198 572 A C 2.074 179.669 177.584 0.019 0.000 1.507 572 A CA 1.456 53.509 52.037 0.026 0.000 0.901 572 A CB -0.449 18.570 19.000 0.032 0.000 1.007 572 A HN 0.299 nan 8.150 nan 0.000 0.502 573 S N 0.687 116.398 115.700 0.017 0.000 2.338 573 S HA -0.121 4.349 4.470 0.000 0.000 0.218 573 S C 2.148 176.755 174.600 0.011 0.000 1.032 573 S CA 1.429 59.637 58.200 0.013 0.000 0.999 573 S CB -0.545 62.663 63.200 0.012 0.000 0.905 573 S HN 0.511 nan 8.310 nan 0.000 0.439 574 S N 1.181 116.888 115.700 0.011 0.000 2.460 574 S HA -0.257 4.213 4.470 0.000 0.000 0.241 574 S C 1.632 176.237 174.600 0.009 0.000 1.051 574 S CA 1.756 59.962 58.200 0.009 0.000 1.223 574 S CB -0.677 62.529 63.200 0.010 0.000 1.160 574 S HN 0.514 nan 8.310 nan 0.000 0.424 575 I N -0.015 120.562 120.570 0.011 0.000 4.740 575 I HA -0.468 3.702 4.170 0.000 0.000 0.046 575 I C 1.844 177.965 176.117 0.008 0.000 0.628 575 I CA 3.162 64.469 61.300 0.010 0.000 0.634 575 I CB -1.941 36.065 38.000 0.009 0.000 0.604 575 I HN 0.523 nan 8.210 nan 0.000 0.157 576 S N 1.003 116.707 115.700 0.007 0.000 2.363 576 S HA -0.188 4.282 4.470 0.000 0.000 0.218 576 S C 1.641 176.244 174.600 0.005 0.000 1.035 576 S CA 1.634 59.838 58.200 0.005 0.000 1.043 576 S CB -0.521 62.681 63.200 0.004 0.000 0.986 576 S HN 0.718 nan 8.310 nan 0.000 0.423 577 R N 2.706 123.209 120.500 0.005 0.000 4.231 577 R HA 0.459 4.799 4.340 0.000 0.000 0.250 577 R C -0.057 176.246 176.300 0.005 0.000 1.600 577 R CA -0.017 56.086 56.100 0.004 0.000 1.523 577 R CB -0.156 30.146 30.300 0.003 0.000 1.422 577 R HN 0.513 nan 8.270 nan 0.000 0.759 578 G N 0.813 109.617 108.800 0.007 0.000 2.356 578 G HA2 0.431 4.391 3.960 0.000 0.000 0.312 578 G HA3 0.431 4.391 3.960 0.000 0.000 0.312 578 G C -0.125 174.779 174.900 0.008 0.000 1.096 578 G CA -0.351 44.754 45.100 0.008 0.000 0.950 578 G HN 0.619 nan 8.290 nan 0.000 0.428 579 A N 3.352 126.176 122.820 0.006 0.000 2.378 579 A HA 0.057 4.377 4.320 0.000 0.000 0.304 579 A C 1.960 179.548 177.584 0.006 0.000 0.981 579 A CA 0.904 52.943 52.037 0.004 0.000 1.200 579 A CB -0.491 18.510 19.000 0.001 0.000 0.776 579 A HN 1.018 nan 8.150 nan 0.000 0.414 580 S N 2.608 118.311 115.700 0.005 0.000 2.425 580 S HA -0.353 4.117 4.470 0.000 0.000 0.256 580 S C 1.757 176.362 174.600 0.008 0.000 1.101 580 S CA 1.553 59.757 58.200 0.007 0.000 1.188 580 S CB -0.659 62.544 63.200 0.005 0.000 1.085 580 S HN 1.014 nan 8.310 nan 0.000 0.439 581 I N -0.834 119.740 120.570 0.006 0.000 4.904 581 I HA -0.407 3.763 4.170 0.000 0.000 0.038 581 I C 0.371 176.494 176.117 0.010 0.000 0.635 581 I CA 2.367 63.671 61.300 0.007 0.000 0.226 581 I CB -1.710 36.296 38.000 0.011 0.000 0.330 581 I HN 0.867 nan 8.210 nan 0.000 0.150 582 R N 0.222 120.731 120.500 0.014 0.000 5.352 582 R HA 0.300 4.640 4.340 0.000 0.000 0.234 582 R C -1.226 175.087 176.300 0.022 0.000 0.917 582 R CA 0.175 56.284 56.100 0.015 0.000 1.197 582 R CB -0.622 29.684 30.300 0.011 0.000 1.331 582 R HN 1.147 nan 8.270 nan 0.000 0.650 583 S N 0.471 116.186 115.700 0.025 0.000 2.561 583 S HA 0.573 5.043 4.470 0.000 0.000 0.303 583 S C -0.427 174.193 174.600 0.033 0.000 1.110 583 S CA -0.827 57.394 58.200 0.035 0.000 1.034 583 S CB 2.082 65.307 63.200 0.041 0.000 1.010 583 S HN 0.693 nan 8.310 nan 0.000 0.482 584 V N 3.662 123.600 119.914 0.040 0.000 2.359 584 V HA 0.596 4.716 4.120 0.000 0.000 0.248 584 V C 1.013 177.141 176.094 0.055 0.000 1.091 584 V CA 1.472 63.793 62.300 0.036 0.000 1.103 584 V CB -0.641 31.200 31.823 0.030 0.000 1.176 584 V HN 1.334 nan 8.190 nan 0.000 0.488 585 G N 3.191 112.014 108.800 0.038 0.000 2.361 585 G HA2 0.175 4.135 3.960 0.000 0.000 0.305 585 G HA3 0.175 4.135 3.960 0.000 0.000 0.305 585 G C 0.581 175.493 174.900 0.020 0.000 1.367 585 G CA 0.083 45.204 45.100 0.035 0.000 0.951 585 G HN 0.799 nan 8.290 nan 0.000 0.615 586 S N -0.624 115.082 115.700 0.010 0.000 2.407 586 S HA 0.027 4.497 4.470 0.000 0.000 0.244 586 S C 1.183 175.788 174.600 0.008 0.000 1.077 586 S CA 2.478 60.681 58.200 0.004 0.000 1.159 586 S CB -0.413 62.783 63.200 -0.006 0.000 1.045 586 S HN 2.014 nan 8.310 nan 0.000 0.438 587 S N -0.679 115.028 115.700 0.012 0.000 2.611 587 S HA 0.716 5.186 4.470 0.000 0.000 0.268 587 S C -0.707 173.910 174.600 0.028 0.000 1.156 587 S CA -0.553 57.657 58.200 0.017 0.000 0.817 587 S CB 1.291 64.497 63.200 0.011 0.000 1.122 587 S HN 0.953 nan 8.310 nan 0.000 0.466 588 A N 1.445 124.283 122.820 0.030 0.000 2.603 588 A HA 0.460 4.780 4.320 0.000 0.000 0.235 588 A C 0.434 178.051 177.584 0.055 0.000 1.035 588 A CA 0.733 52.795 52.037 0.040 0.000 0.755 588 A CB -0.527 18.492 19.000 0.032 0.000 0.954 588 A HN 1.725 nan 8.150 nan 0.000 0.511 589 S N 0.611 116.362 115.700 0.085 0.000 2.888 589 S HA 0.495 4.965 4.470 0.000 0.000 0.145 589 S C 0.515 175.250 174.600 0.225 0.000 0.705 589 S CA 0.443 58.724 58.200 0.136 0.000 0.891 589 S CB -0.419 62.844 63.200 0.106 0.000 1.592 589 S HN 2.468 nan 8.310 nan 0.000 0.514 590 A N 2.272 125.189 122.820 0.162 0.000 1.745 590 A HA -0.347 3.973 4.320 0.000 0.000 0.339 590 A C 1.571 179.196 177.584 0.068 0.000 4.536 590 A CA 3.013 55.097 52.037 0.078 0.000 1.018 590 A CB -2.413 16.599 19.000 0.020 0.000 0.591 590 A HN 1.201 nan 8.150 nan 0.000 0.481 591 W N -1.102 120.198 121.300 0.000 0.000 2.256 591 W HA -0.204 4.456 4.660 0.000 0.000 0.334 591 W C 2.835 179.367 176.519 0.022 0.000 1.310 591 W CA 2.313 59.659 57.345 0.002 0.000 1.180 591 W CB -1.751 27.702 29.460 -0.012 0.000 1.136 591 W HN 0.486 nan 8.180 nan 0.000 0.469 592 T N 0.649 115.388 114.554 0.308 0.000 2.502 592 T HA -0.288 4.062 4.350 0.000 0.000 0.258 592 T C 1.459 176.239 174.700 0.133 0.000 1.146 592 T CA 2.293 64.513 62.100 0.201 0.000 1.208 592 T CB -1.127 67.832 68.868 0.152 0.000 0.864 592 T HN 0.369 nan 8.240 nan 0.000 0.402 593 D N 1.620 122.082 120.400 0.104 0.000 2.103 593 D HA -0.128 4.512 4.640 0.000 0.000 0.190 593 D C 2.161 178.485 176.300 0.040 0.000 0.997 593 D CA 1.437 55.476 54.000 0.064 0.000 0.833 593 D CB -1.063 39.770 40.800 0.054 0.000 0.961 593 D HN 0.305 nan 8.370 nan 0.000 0.447 594 V N 0.830 120.762 119.914 0.029 0.000 2.527 594 V HA -0.253 3.867 4.120 0.000 0.000 0.255 594 V C 2.701 178.789 176.094 -0.010 0.000 1.081 594 V CA 2.098 64.397 62.300 -0.002 0.000 1.092 594 V CB -0.485 31.319 31.823 -0.031 0.000 0.673 594 V HN 0.296 nan 8.190 nan 0.000 0.470 595 S N -1.373 114.328 115.700 0.002 0.000 2.441 595 S HA -0.098 4.372 4.470 0.000 0.000 0.224 595 S C 2.011 176.619 174.600 0.014 0.000 1.043 595 S CA 1.151 59.352 58.200 0.002 0.000 0.948 595 S CB -0.110 63.098 63.200 0.014 0.000 0.810 595 S HN 0.636 nan 8.310 nan 0.000 0.504 596 T N 2.275 116.847 114.554 0.030 0.000 2.721 596 T HA -0.212 4.138 4.350 0.000 0.000 0.268 596 T C 1.808 176.514 174.700 0.010 0.000 1.038 596 T CA 1.938 64.052 62.100 0.025 0.000 1.145 596 T CB -0.234 68.656 68.868 0.036 0.000 0.858 596 T HN 0.312 nan 8.240 nan 0.000 0.459 597 Q N 0.732 120.537 119.800 0.008 0.000 2.050 597 Q HA 0.238 4.578 4.340 0.000 0.000 0.200 597 Q C 1.452 177.450 176.000 -0.003 0.000 0.988 597 Q CA 0.571 56.376 55.803 0.002 0.000 0.845 597 Q CB -0.643 28.097 28.738 0.003 0.000 0.917 597 Q HN 0.494 nan 8.270 nan 0.000 0.481 598 I N 2.316 122.882 120.570 -0.007 0.000 2.946 598 I HA -0.061 4.109 4.170 0.000 0.000 0.286 598 I C -0.043 176.067 176.117 -0.013 0.000 0.964 598 I CA 0.531 61.825 61.300 -0.011 0.000 2.338 598 I CB -0.391 37.599 38.000 -0.016 0.000 1.482 598 I HN 0.281 nan 8.210 nan 0.000 1.017 599 T N 1.925 116.474 114.554 -0.009 0.000 3.820 599 T HA 0.039 4.389 4.350 0.000 0.000 0.224 599 T C 0.239 174.934 174.700 -0.008 0.000 0.869 599 T CA -0.734 61.362 62.100 -0.008 0.000 0.932 599 T CB -0.875 67.990 68.868 -0.005 0.000 1.259 599 T HN 0.582 nan 8.240 nan 0.000 0.676 600 D N 1.271 121.665 120.400 -0.011 0.000 2.399 600 D HA 0.293 4.933 4.640 0.000 0.000 0.241 600 D C 0.683 176.977 176.300 -0.009 0.000 1.133 600 D CA 0.088 54.082 54.000 -0.010 0.000 0.890 600 D CB 0.491 41.284 40.800 -0.012 0.000 1.201 600 D HN 0.591 nan 8.370 nan 0.000 0.432 601 V N -1.045 118.864 119.914 -0.007 0.000 4.394 601 V HA 0.049 4.169 4.120 0.000 0.000 0.413 601 V C -0.726 175.366 176.094 -0.003 0.000 0.674 601 V CA 0.414 62.710 62.300 -0.006 0.000 1.706 601 V CB -2.514 29.305 31.823 -0.008 0.000 2.080 601 V HN 1.058 nan 8.190 nan 0.000 0.482 602 S N 1.950 117.649 115.700 -0.001 0.000 2.841 602 S HA 0.750 5.220 4.470 0.000 0.000 0.283 602 S C -0.449 174.152 174.600 0.002 0.000 0.839 602 S CA 0.170 58.370 58.200 0.001 0.000 0.843 602 S CB 1.095 64.297 63.200 0.003 0.000 1.059 602 S HN 2.967 nan 8.310 nan 0.000 0.502 603 S N 0.311 116.013 115.700 0.003 0.000 2.751 603 S HA 0.708 5.178 4.470 0.000 0.000 0.289 603 S C -0.172 174.430 174.600 0.004 0.000 0.965 603 S CA 0.109 58.311 58.200 0.003 0.000 0.855 603 S CB 0.713 63.913 63.200 0.002 0.000 1.068 603 S HN 2.285 nan 8.310 nan 0.000 0.462 604 S N -1.260 114.442 115.700 0.004 0.000 4.667 604 S HA -0.014 4.456 4.470 0.000 0.000 0.048 604 S C 0.310 174.912 174.600 0.004 0.000 0.879 604 S CA 0.400 58.602 58.200 0.003 0.000 0.900 604 S CB -2.399 60.803 63.200 0.002 0.000 0.369 604 S HN 2.232 nan 8.310 nan 0.000 0.802 605 V N -0.382 119.536 119.914 0.007 0.000 6.890 605 V HA 0.934 5.054 4.120 0.000 0.000 0.285 605 V C 0.451 176.553 176.094 0.013 0.000 1.685 605 V CA -0.073 62.233 62.300 0.009 0.000 0.613 605 V CB 0.358 32.189 31.823 0.013 0.000 1.612 605 V HN 1.054 nan 8.190 nan 0.000 0.363 606 S N 0.047 115.761 115.700 0.023 0.000 2.621 606 S HA 0.589 5.059 4.470 0.000 0.000 0.302 606 S C 0.864 175.482 174.600 0.030 0.000 1.093 606 S CA 0.216 58.434 58.200 0.030 0.000 1.017 606 S CB 1.508 64.737 63.200 0.048 0.000 1.077 606 S HN 1.597 nan 8.310 nan 0.000 0.517 607 S N 2.355 118.066 115.700 0.019 0.000 2.415 607 S HA -0.194 4.276 4.470 0.000 0.000 0.236 607 S C 1.724 176.314 174.600 -0.017 0.000 1.295 607 S CA 1.107 59.306 58.200 -0.001 0.000 2.080 607 S CB -1.779 61.415 63.200 -0.011 0.000 0.831 607 S HN 0.880 nan 8.310 nan 0.000 0.368 608 I N 1.728 122.262 120.570 -0.060 0.000 3.938 608 I HA -0.429 3.741 4.170 0.000 0.000 0.148 608 I C 2.697 178.736 176.117 -0.130 0.000 0.715 608 I CA 2.260 63.454 61.300 -0.178 0.000 0.935 608 I CB -1.724 36.077 38.000 -0.331 0.000 0.757 608 I HN 0.514 nan 8.210 nan 0.000 0.267 609 S N -0.131 115.578 115.700 0.016 0.000 2.393 609 S HA -0.292 4.178 4.470 0.000 0.000 0.234 609 S C 1.880 176.495 174.600 0.024 0.000 1.064 609 S CA 2.460 60.711 58.200 0.085 0.000 1.088 609 S CB -0.702 62.575 63.200 0.129 0.000 0.939 609 S HN 0.593 nan 8.310 nan 0.000 0.448 610 T N 1.868 116.426 114.554 0.007 0.000 2.674 610 T HA -0.142 4.208 4.350 0.000 0.000 0.265 610 T C 2.006 176.699 174.700 -0.012 0.000 1.039 610 T CA 1.639 63.740 62.100 0.001 0.000 1.150 610 T CB -0.400 68.467 68.868 -0.001 0.000 0.864 610 T HN 0.402 nan 8.240 nan 0.000 0.427 611 Q N 0.830 120.609 119.800 -0.035 0.000 1.967 611 Q HA -0.058 4.282 4.340 0.000 0.000 0.202 611 Q C 2.700 178.676 176.000 -0.040 0.000 0.985 611 Q CA 1.863 57.644 55.803 -0.036 0.000 0.839 611 Q CB -1.217 27.488 28.738 -0.055 0.000 0.906 611 Q HN 0.402 nan 8.270 nan 0.000 0.423 612 T N 0.510 115.002 114.554 -0.105 0.000 2.616 612 T HA -0.342 4.008 4.350 0.000 0.000 0.261 612 T C 1.894 176.594 174.700 0.001 0.000 1.105 612 T CA 1.835 63.865 62.100 -0.117 0.000 1.159 612 T CB -0.885 67.909 68.868 -0.125 0.000 0.856 612 T HN 0.342 nan 8.240 nan 0.000 0.449 613 S N 0.177 115.887 115.700 0.017 0.000 2.444 613 S HA -0.208 4.262 4.470 0.000 0.000 0.225 613 S C 2.257 176.876 174.600 0.032 0.000 1.042 613 S CA 2.307 60.530 58.200 0.039 0.000 1.132 613 S CB -1.051 62.168 63.200 0.032 0.000 1.099 613 S HN 0.635 nan 8.310 nan 0.000 0.417 614 T N 1.722 116.286 114.554 0.016 0.000 2.869 614 T HA -0.078 4.272 4.350 0.000 0.000 0.270 614 T C 1.621 176.334 174.700 0.021 0.000 1.082 614 T CA 1.366 63.472 62.100 0.009 0.000 1.123 614 T CB -0.346 68.522 68.868 0.001 0.000 0.856 614 T HN 0.465 nan 8.240 nan 0.000 0.499 615 I N 0.265 120.865 120.570 0.049 0.000 3.419 615 I HA -0.054 4.116 4.170 0.000 0.000 0.286 615 I C 1.953 178.144 176.117 0.123 0.000 1.268 615 I CA 0.344 61.706 61.300 0.104 0.000 1.414 615 I CB 0.124 38.233 38.000 0.181 0.000 1.074 615 I HN 0.142 nan 8.210 nan 0.000 0.457 616 S N 0.800 116.557 115.700 0.094 0.000 2.325 616 S HA -0.114 4.356 4.470 0.000 0.000 0.213 616 S C 1.804 176.412 174.600 0.014 0.000 1.031 616 S CA 0.798 59.053 58.200 0.090 0.000 0.984 616 S CB -0.299 62.967 63.200 0.110 0.000 0.939 616 S HN 0.293 nan 8.310 nan 0.000 0.438 617 R N 1.517 122.021 120.500 0.006 0.000 2.265 617 R HA -0.216 4.124 4.340 0.000 0.000 0.256 617 R C 2.290 178.550 176.300 -0.068 0.000 1.120 617 R CA 2.025 58.109 56.100 -0.026 0.000 0.956 617 R CB -0.520 29.763 30.300 -0.029 0.000 0.925 617 R HN 0.401 nan 8.270 nan 0.000 0.448 618 R N 0.138 120.587 120.500 -0.085 0.000 2.234 618 R HA -0.140 4.200 4.340 0.000 0.000 0.209 618 R C 2.199 178.415 176.300 -0.139 0.000 1.077 618 R CA 1.692 57.690 56.100 -0.171 0.000 0.866 618 R CB -1.169 29.006 30.300 -0.209 0.000 0.764 618 R HN 0.091 nan 8.270 nan 0.000 0.459 619 L N 0.828 122.022 121.223 -0.049 0.000 2.405 619 L HA -0.423 3.917 4.340 0.000 0.000 0.250 619 L C 2.328 179.059 176.870 -0.232 0.000 1.118 619 L CA 2.198 57.000 54.840 -0.063 0.000 0.812 619 L CB -1.429 40.488 42.059 -0.235 0.000 0.983 619 L HN 0.482 nan 8.230 nan 0.000 0.417 620 R N -0.255 119.897 120.500 -0.581 0.000 2.637 620 R HA -0.315 4.025 4.340 0.000 0.000 0.180 620 R C 1.808 178.093 176.300 -0.026 0.000 0.530 620 R CA 1.951 57.849 56.100 -0.337 0.000 1.122 620 R CB -1.466 28.809 30.300 -0.041 0.000 0.502 620 R HN 0.272 nan 8.270 nan 0.000 0.548 621 L N 1.049 122.280 121.223 0.015 0.000 2.408 621 L HA -0.239 4.101 4.340 0.000 0.000 0.220 621 L C 2.147 179.037 176.870 0.033 0.000 1.112 621 L CA 2.094 56.956 54.840 0.037 0.000 0.782 621 L CB -0.318 41.749 42.059 0.012 0.000 0.898 621 L HN 0.461 nan 8.230 nan 0.000 0.442 622 K N -1.677 118.720 120.400 -0.005 0.000 2.214 622 K HA -0.006 4.314 4.320 0.000 0.000 0.210 622 K C 1.900 178.556 176.600 0.094 0.000 1.036 622 K CA 0.603 56.886 56.287 -0.007 0.000 0.958 622 K CB -0.140 32.270 32.500 -0.150 0.000 0.973 622 K HN 0.002 nan 8.250 nan 0.000 0.466 623 E N 0.762 121.061 120.200 0.166 0.000 2.187 623 E HA -0.222 4.128 4.350 0.000 0.000 0.199 623 E C 1.892 178.609 176.600 0.195 0.000 1.004 623 E CA 1.349 57.935 56.400 0.309 0.000 0.813 623 E CB 0.102 29.982 29.700 0.299 0.000 0.736 623 E HN 0.113 nan 8.360 nan 0.000 0.468 624 M N 0.133 119.832 119.600 0.164 0.000 2.065 624 M HA -0.103 4.377 4.480 0.000 0.000 0.259 624 M C 1.714 178.103 176.300 0.148 0.000 1.071 624 M CA 1.523 56.925 55.300 0.170 0.000 1.109 624 M CB -1.228 31.484 32.600 0.187 0.000 1.313 624 M HN 0.200 nan 8.290 nan 0.000 0.408 625 A N -0.204 122.708 122.820 0.153 0.000 2.558 625 A HA 0.144 4.464 4.320 0.000 0.000 0.235 625 A C 1.167 178.836 177.584 0.142 0.000 1.677 625 A CA 1.061 53.192 52.037 0.157 0.000 1.531 625 A CB -0.771 18.332 19.000 0.172 0.000 0.841 625 A HN 0.611 nan 8.150 nan 0.000 0.631 626 T N -1.484 113.148 114.554 0.131 0.000 3.579 626 T HA 0.204 4.554 4.350 0.000 0.000 0.182 626 T C -0.905 173.845 174.700 0.083 0.000 0.819 626 T CA 0.591 62.761 62.100 0.115 0.000 0.959 626 T CB 0.119 69.075 68.868 0.146 0.000 1.037 626 T HN 0.694 nan 8.240 nan 0.000 0.303 627 Q N 1.325 121.170 119.800 0.074 0.000 2.313 627 Q HA 0.743 5.083 4.340 0.000 0.000 0.255 627 Q C -1.328 174.697 176.000 0.042 0.000 0.944 627 Q CA -0.535 55.295 55.803 0.045 0.000 0.881 627 Q CB 1.595 30.342 28.738 0.015 0.000 1.375 627 Q HN 0.375 nan 8.270 nan 0.000 0.422 628 T N 0.884 115.465 114.554 0.044 0.000 2.663 628 T HA 0.510 4.860 4.350 0.000 0.000 0.305 628 T C -1.047 173.671 174.700 0.030 0.000 1.660 628 T CA -0.987 61.141 62.100 0.046 0.000 0.976 628 T CB 0.963 69.887 68.868 0.094 0.000 1.705 628 T HN 0.627 nan 8.240 nan 0.000 0.494 629 E N -0.107 120.103 120.200 0.018 0.000 2.259 629 E HA 0.694 5.044 4.350 0.000 0.000 0.257 629 E C 0.723 177.309 176.600 -0.023 0.000 0.998 629 E CA -0.560 55.836 56.400 -0.006 0.000 0.866 629 E CB 0.557 30.243 29.700 -0.023 0.000 1.220 629 E HN 1.127 nan 8.360 nan 0.000 0.415 630 G N 0.239 109.017 108.800 -0.038 0.000 2.707 630 G HA2 -0.302 3.658 3.960 0.000 0.000 0.279 630 G HA3 -0.302 3.658 3.960 0.000 0.000 0.279 630 G C -0.414 174.446 174.900 -0.067 0.000 1.345 630 G CA -0.186 44.878 45.100 -0.061 0.000 0.912 630 G HN 0.347 nan 8.290 nan 0.000 0.563 631 M N 1.587 121.128 119.600 -0.099 0.000 2.356 631 M HA 0.136 4.616 4.480 0.000 0.000 0.348 631 M C 0.822 177.032 176.300 -0.150 0.000 1.595 631 M CA 0.806 56.037 55.300 -0.114 0.000 1.095 631 M CB -0.297 32.217 32.600 -0.143 0.000 1.963 631 M HN 0.430 nan 8.290 nan 0.000 0.459 632 N N 3.169 121.821 118.700 -0.079 0.000 2.419 632 N HA 0.229 4.969 4.740 0.000 0.000 0.264 632 N C 0.383 175.884 175.510 -0.014 0.000 1.031 632 N CA -0.588 52.448 53.050 -0.023 0.000 0.951 632 N CB 0.670 39.198 38.487 0.068 0.000 1.101 632 N HN 0.484 nan 8.380 nan 0.000 0.488 633 F N 1.954 121.882 119.950 -0.037 0.000 2.222 633 F HA -0.479 4.048 4.527 0.000 0.000 0.281 633 F C 2.215 177.993 175.800 -0.037 0.000 1.130 633 F CA 1.947 59.924 58.000 -0.038 0.000 1.368 633 F CB -0.572 38.421 39.000 -0.012 0.000 0.890 633 F HN 0.589 nan 8.300 nan 0.000 0.524 634 D N -0.123 120.375 120.400 0.163 0.000 2.170 634 D HA -0.246 4.394 4.640 0.000 0.000 0.193 634 D C 1.497 177.755 176.300 -0.071 0.000 1.004 634 D CA 2.010 55.977 54.000 -0.054 0.000 0.860 634 D CB -1.044 39.589 40.800 -0.277 0.000 0.931 634 D HN 0.452 nan 8.370 nan 0.000 0.448 635 D N -0.046 120.328 120.400 -0.044 0.000 2.384 635 D HA -0.014 4.626 4.640 0.000 0.000 0.222 635 D C 1.934 178.225 176.300 -0.016 0.000 0.976 635 D CA 0.300 54.282 54.000 -0.030 0.000 0.915 635 D CB -0.058 40.725 40.800 -0.028 0.000 0.896 635 D HN 0.379 nan 8.370 nan 0.000 0.523 636 I N -0.446 120.116 120.570 -0.012 0.000 3.081 636 I HA -0.110 4.060 4.170 0.000 0.000 0.274 636 I C 2.277 178.417 176.117 0.039 0.000 1.178 636 I CA 0.290 61.583 61.300 -0.013 0.000 1.460 636 I CB 0.004 37.978 38.000 -0.044 0.000 1.137 636 I HN 0.024 nan 8.210 nan 0.000 0.443 637 S N 1.906 117.661 115.700 0.092 0.000 2.329 637 S HA -0.126 4.344 4.470 0.000 0.000 0.215 637 S C 2.370 177.121 174.600 0.251 0.000 1.031 637 S CA 0.914 59.255 58.200 0.235 0.000 0.985 637 S CB -0.702 62.712 63.200 0.357 0.000 0.917 637 S HN 0.315 nan 8.310 nan 0.000 0.441 638 A N 2.861 125.777 122.820 0.161 0.000 1.909 638 A HA -0.085 4.235 4.320 0.000 0.000 0.221 638 A C 2.633 180.304 177.584 0.145 0.000 1.223 638 A CA 3.016 55.163 52.037 0.183 0.000 0.658 638 A CB -1.858 17.212 19.000 0.116 0.000 0.831 638 A HN 1.218 nan 8.150 nan 0.000 0.462 639 A N -0.897 121.979 122.820 0.092 0.000 1.903 639 A HA -0.117 4.203 4.320 0.000 0.000 0.219 639 A C 2.276 179.908 177.584 0.079 0.000 1.191 639 A CA 2.318 54.392 52.037 0.061 0.000 0.638 639 A CB -1.200 17.817 19.000 0.029 0.000 0.823 639 A HN 0.612 nan 8.150 nan 0.000 0.451 640 V N 0.211 120.192 119.914 0.110 0.000 2.287 640 V HA -0.291 3.829 4.120 0.000 0.000 0.248 640 V C 2.566 178.776 176.094 0.195 0.000 1.053 640 V CA 2.041 64.415 62.300 0.123 0.000 1.027 640 V CB -0.917 30.964 31.823 0.097 0.000 0.646 640 V HN 0.568 nan 8.190 nan 0.000 0.447 641 L N -0.139 121.247 121.223 0.271 0.000 1.937 641 L HA -0.200 4.140 4.340 0.000 0.000 0.213 641 L C 2.567 179.511 176.870 0.125 0.000 1.077 641 L CA 2.033 57.020 54.840 0.245 0.000 0.758 641 L CB -0.867 41.329 42.059 0.227 0.000 0.888 641 L HN 0.253 nan 8.230 nan 0.000 0.433 642 K N -0.076 120.367 120.400 0.071 0.000 2.444 642 K HA -0.153 4.167 4.320 0.000 0.000 0.200 642 K C 1.627 178.229 176.600 0.005 0.000 1.045 642 K CA 1.501 57.792 56.287 0.006 0.000 0.934 642 K CB -0.409 32.090 32.500 -0.002 0.000 0.756 642 K HN 0.305 nan 8.250 nan 0.000 0.477 643 T N 0.651 115.223 114.554 0.030 0.000 2.925 643 T HA -0.063 4.287 4.350 0.000 0.000 0.232 643 T C 1.435 176.125 174.700 -0.017 0.000 1.055 643 T CA 1.335 63.439 62.100 0.007 0.000 1.419 643 T CB -0.260 68.618 68.868 0.017 0.000 1.094 643 T HN 0.355 nan 8.240 nan 0.000 0.423 644 K N 1.795 122.186 120.400 -0.014 0.000 2.089 644 K HA -0.134 4.186 4.320 0.000 0.000 0.210 644 K C 1.957 178.468 176.600 -0.149 0.000 1.048 644 K CA 1.786 57.999 56.287 -0.123 0.000 0.926 644 K CB -1.110 31.282 32.500 -0.179 0.000 0.714 644 K HN 0.419 nan 8.250 nan 0.000 0.448 645 I N 1.809 122.374 120.570 -0.008 0.000 3.387 645 I HA -0.133 4.037 4.170 0.000 0.000 0.298 645 I C 1.807 177.899 176.117 -0.041 0.000 1.311 645 I CA 0.931 62.240 61.300 0.016 0.000 1.318 645 I CB -0.494 37.547 38.000 0.068 0.000 1.023 645 I HN 0.376 nan 8.210 nan 0.000 0.540 646 D N 0.831 121.192 120.400 -0.065 0.000 2.434 646 D HA -0.036 4.604 4.640 0.000 0.000 0.288 646 D C 1.721 177.979 176.300 -0.070 0.000 1.083 646 D CA 0.123 54.087 54.000 -0.060 0.000 0.903 646 D CB 0.391 41.161 40.800 -0.050 0.000 1.476 646 D HN 0.151 nan 8.370 nan 0.000 0.502 647 R N 0.822 121.267 120.500 -0.091 0.000 2.555 647 R HA 0.285 4.625 4.340 0.000 0.000 0.272 647 R C 0.183 176.406 176.300 -0.128 0.000 1.089 647 R CA -0.065 55.979 56.100 -0.094 0.000 1.126 647 R CB 0.086 30.336 30.300 -0.084 0.000 1.250 647 R HN -0.111 nan 8.270 nan 0.000 0.551 648 S N -2.513 113.098 115.700 -0.147 0.000 2.841 648 S HA 0.475 4.945 4.470 0.000 0.000 0.274 648 S C 0.328 174.873 174.600 -0.092 0.000 1.044 648 S CA -0.385 57.716 58.200 -0.166 0.000 0.952 648 S CB 1.670 64.701 63.200 -0.280 0.000 1.331 648 S HN 0.244 nan 8.310 nan 0.000 0.610 649 T N 0.573 115.084 114.554 -0.071 0.000 3.231 649 T HA 0.100 4.450 4.350 0.000 0.000 0.269 649 T C 0.215 174.911 174.700 -0.007 0.000 0.849 649 T CA -0.278 61.803 62.100 -0.032 0.000 0.837 649 T CB 0.187 69.038 68.868 -0.027 0.000 1.254 649 T HN 0.355 nan 8.240 nan 0.000 0.640 650 Q N 1.071 120.875 119.800 0.006 0.000 2.247 650 Q HA 0.393 4.733 4.340 0.000 0.000 0.204 650 Q C 0.258 176.301 176.000 0.071 0.000 0.872 650 Q CA 0.119 55.948 55.803 0.043 0.000 0.951 650 Q CB 0.299 29.076 28.738 0.065 0.000 1.099 650 Q HN 0.555 nan 8.270 nan 0.000 0.501 651 I N 2.387 122.996 120.570 0.065 0.000 2.281 651 I HA 0.117 4.287 4.170 0.000 0.000 0.293 651 I C 0.501 176.650 176.117 0.054 0.000 1.085 651 I CA -0.375 60.979 61.300 0.089 0.000 1.257 651 I CB 0.465 38.530 38.000 0.108 0.000 1.430 651 I HN -0.041 nan 8.210 nan 0.000 0.489 652 S N 7.290 123.021 115.700 0.052 0.000 2.767 652 S HA 0.549 5.019 4.470 0.000 0.000 0.300 652 S C -1.532 173.094 174.600 0.043 0.000 1.123 652 S CA -1.362 56.861 58.200 0.039 0.000 0.992 652 S CB 1.691 64.911 63.200 0.033 0.000 1.138 652 S HN 0.390 nan 8.310 nan 0.000 0.550 653 P HA -0.178 nan 4.420 nan 0.000 0.219 653 P C 1.140 178.463 177.300 0.039 0.000 1.146 653 P CA 1.167 64.293 63.100 0.043 0.000 0.808 653 P CB -0.185 31.536 31.700 0.034 0.000 0.779 654 N N 0.021 118.741 118.700 0.033 0.000 2.025 654 N HA -0.105 4.635 4.740 0.000 0.000 0.194 654 N C 1.608 177.136 175.510 0.029 0.000 1.044 654 N CA 2.242 55.309 53.050 0.027 0.000 0.851 654 N CB -0.559 37.942 38.487 0.024 0.000 1.036 654 N HN 0.082 nan 8.380 nan 0.000 0.422 655 T N 2.493 117.068 114.554 0.035 0.000 2.904 655 T HA 0.063 4.413 4.350 0.000 0.000 0.267 655 T C 2.081 176.802 174.700 0.035 0.000 1.059 655 T CA 0.140 62.260 62.100 0.032 0.000 1.137 655 T CB -0.121 68.773 68.868 0.042 0.000 0.879 655 T HN 0.173 nan 8.240 nan 0.000 0.467 656 L N 0.742 121.997 121.223 0.054 0.000 2.143 656 L HA -0.191 4.149 4.340 0.000 0.000 0.231 656 L C -1.208 175.697 176.870 0.058 0.000 1.106 656 L CA 1.480 56.359 54.840 0.065 0.000 0.827 656 L CB -1.952 40.166 42.059 0.098 0.000 0.915 656 L HN 0.266 nan 8.230 nan 0.000 0.448 657 P HA -0.001 nan 4.420 nan 0.000 0.300 657 P C 0.420 177.729 177.300 0.015 0.000 1.294 657 P CA -0.043 63.086 63.100 0.049 0.000 0.757 657 P CB 0.187 31.908 31.700 0.036 0.000 1.377 658 D N -1.226 119.177 120.400 0.004 0.000 4.522 658 D HA -0.324 4.316 4.640 0.000 0.000 0.302 658 D C 1.618 177.871 176.300 -0.077 0.000 0.484 658 D CA 2.105 56.081 54.000 -0.039 0.000 1.355 658 D CB -1.584 39.190 40.800 -0.042 0.000 0.790 658 D HN 0.402 nan 8.370 nan 0.000 0.336 659 I N 1.187 121.700 120.570 -0.094 0.000 2.161 659 I HA -0.365 3.805 4.170 0.000 0.000 0.246 659 I C 2.522 178.534 176.117 -0.175 0.000 1.048 659 I CA 2.121 63.319 61.300 -0.170 0.000 1.314 659 I CB -0.106 37.788 38.000 -0.177 0.000 1.014 659 I HN 0.171 nan 8.210 nan 0.000 0.418 660 V N 0.211 120.073 119.914 -0.086 0.000 2.223 660 V HA -0.327 3.793 4.120 0.000 0.000 0.244 660 V C 2.367 178.407 176.094 -0.090 0.000 1.045 660 V CA 2.591 64.855 62.300 -0.061 0.000 1.000 660 V CB -1.139 30.697 31.823 0.021 0.000 0.635 660 V HN 0.524 nan 8.190 nan 0.000 0.445 661 T N -0.097 114.440 114.554 -0.029 0.000 2.505 661 T HA -0.310 4.040 4.350 0.000 0.000 0.259 661 T C 1.769 176.295 174.700 -0.290 0.000 1.158 661 T CA 2.285 64.264 62.100 -0.202 0.000 1.190 661 T CB -0.487 68.262 68.868 -0.198 0.000 0.864 661 T HN 0.634 nan 8.240 nan 0.000 0.413 662 E N 0.817 120.878 120.200 -0.231 0.000 2.236 662 E HA -0.265 4.085 4.350 0.000 0.000 0.205 662 E C 2.365 178.779 176.600 -0.311 0.000 1.028 662 E CA 1.046 57.310 56.400 -0.227 0.000 0.827 662 E CB -0.320 29.271 29.700 -0.182 0.000 0.735 662 E HN 0.540 nan 8.360 nan 0.000 0.470 663 A N 1.042 123.601 122.820 -0.435 0.000 1.883 663 A HA -0.247 4.073 4.320 0.000 0.000 0.217 663 A C 2.362 179.468 177.584 -0.797 0.000 1.186 663 A CA 1.932 53.419 52.037 -0.917 0.000 0.624 663 A CB -0.531 17.949 19.000 -0.867 0.000 0.822 663 A HN 0.186 nan 8.150 nan 0.000 0.444 664 S N 0.333 115.833 115.700 -0.334 0.000 2.354 664 S HA -0.233 4.237 4.470 0.000 0.000 0.219 664 S C 1.931 176.503 174.600 -0.047 0.000 1.035 664 S CA 1.654 59.833 58.200 -0.034 0.000 1.037 664 S CB -0.657 62.513 63.200 -0.050 0.000 0.956 664 S HN 0.865 nan 8.310 nan 0.000 0.428 665 E N 1.768 121.893 120.200 -0.126 0.000 2.147 665 E HA -0.208 4.142 4.350 0.000 0.000 0.199 665 E C 0.340 176.932 176.600 -0.013 0.000 1.005 665 E CA 1.156 57.510 56.400 -0.076 0.000 0.810 665 E CB -0.334 29.297 29.700 -0.114 0.000 0.736 665 E HN 0.411 nan 8.360 nan 0.000 0.460 666 K N 0.302 120.698 120.400 -0.006 0.000 2.800 666 K HA 0.298 4.618 4.320 0.000 0.000 0.185 666 K C -1.413 175.425 176.600 0.396 0.000 1.082 666 K CA -0.371 55.984 56.287 0.114 0.000 0.978 666 K CB 0.530 33.075 32.500 0.075 0.000 1.364 666 K HN -0.057 nan 8.250 nan 0.000 0.592 667 F N 1.083 121.053 119.950 0.033 0.000 2.585 667 F HA 0.394 4.921 4.527 0.000 0.000 0.319 667 F C 0.270 176.096 175.800 0.042 0.000 1.165 667 F CA -2.048 55.983 58.000 0.051 0.000 0.949 667 F CB 0.983 40.034 39.000 0.084 0.000 1.218 667 F HN 0.175 nan 8.300 nan 0.000 0.453 668 I N 5.317 125.948 120.570 0.102 0.000 6.793 668 I HA -0.253 3.917 4.170 0.000 0.000 0.126 668 I C -1.828 174.313 176.117 0.041 0.000 1.828 668 I CA -0.358 60.977 61.300 0.059 0.000 2.046 668 I CB -0.742 37.315 38.000 0.094 0.000 3.541 668 I HN 0.420 nan 8.210 nan 0.000 0.172 669 P HA -0.256 nan 4.420 nan 0.000 0.221 669 P C 0.621 177.926 177.300 0.009 0.000 1.160 669 P CA 2.419 65.540 63.100 0.034 0.000 0.933 669 P CB 0.059 31.776 31.700 0.029 0.000 0.793 670 N N -0.830 117.867 118.700 -0.005 0.000 3.124 670 N HA 0.431 5.171 4.740 0.000 0.000 0.350 670 N C -0.405 175.054 175.510 -0.085 0.000 1.411 670 N CA -0.508 52.531 53.050 -0.019 0.000 0.729 670 N CB 1.014 39.505 38.487 0.008 0.000 1.379 670 N HN 0.118 nan 8.380 nan 0.000 0.599 671 R N -3.305 117.148 120.500 -0.079 0.000 4.813 671 R HA 0.472 4.812 4.340 0.000 0.000 0.232 671 R C -2.074 174.166 176.300 -0.099 0.000 0.916 671 R CA -0.444 55.547 56.100 -0.182 0.000 1.022 671 R CB -0.965 28.898 30.300 -0.730 0.000 1.367 671 R HN 0.840 nan 8.270 nan 0.000 0.581 672 A N 0.795 123.583 122.820 -0.054 0.000 2.443 672 A HA 0.965 5.285 4.320 0.000 0.000 0.278 672 A C -1.635 175.895 177.584 -0.091 0.000 1.252 672 A CA -0.731 51.373 52.037 0.111 0.000 0.816 672 A CB 1.108 20.209 19.000 0.169 0.000 1.369 672 A HN 0.537 nan 8.150 nan 0.000 0.446 673 Y N -1.205 119.216 120.300 0.201 0.000 2.669 673 Y HA 0.731 5.281 4.550 0.000 0.000 0.335 673 Y C -0.028 175.999 175.900 0.213 0.000 1.116 673 Y CA -0.765 57.464 58.100 0.215 0.000 1.081 673 Y CB 1.839 40.423 38.460 0.206 0.000 1.297 673 Y HN 0.855 nan 8.280 nan 0.000 0.484 674 R N -0.771 119.919 120.500 0.317 0.000 2.710 674 R HA 0.874 5.214 4.340 0.000 0.000 0.270 674 R C -2.360 174.037 176.300 0.162 0.000 1.021 674 R CA -1.019 55.225 56.100 0.241 0.000 0.889 674 R CB 1.699 32.055 30.300 0.093 0.000 1.243 674 R HN 0.310 nan 8.270 nan 0.000 0.464 675 V N 2.425 122.425 119.914 0.143 0.000 2.524 675 V HA 0.422 4.542 4.120 0.000 0.000 0.297 675 V C -0.484 175.594 176.094 -0.027 0.000 1.035 675 V CA -0.673 61.632 62.300 0.007 0.000 0.867 675 V CB 1.745 33.510 31.823 -0.096 0.000 1.004 675 V HN 0.775 nan 8.190 nan 0.000 0.426 676 I N 4.348 124.887 120.570 -0.051 0.000 2.499 676 I HA 0.653 4.823 4.170 0.000 0.000 0.296 676 I C -0.355 175.712 176.117 -0.084 0.000 0.992 676 I CA 0.003 61.278 61.300 -0.041 0.000 1.297 676 I CB 1.476 39.451 38.000 -0.042 0.000 1.410 676 I HN 0.850 nan 8.210 nan 0.000 0.507 677 N N 5.975 124.633 118.700 -0.070 0.000 3.507 677 N HA 0.169 4.909 4.740 0.000 0.000 0.212 677 N C -1.452 174.039 175.510 -0.031 0.000 1.340 677 N CA -0.435 52.564 53.050 -0.085 0.000 0.844 677 N CB 0.256 38.629 38.487 -0.190 0.000 1.647 677 N HN 0.690 nan 8.380 nan 0.000 0.694 678 N N 3.025 121.737 118.700 0.020 0.000 2.861 678 N HA -0.129 4.611 4.740 0.000 0.000 0.247 678 N C -1.333 174.232 175.510 0.091 0.000 1.117 678 N CA 1.147 54.226 53.050 0.049 0.000 0.703 678 N CB -1.209 37.301 38.487 0.038 0.000 1.052 678 N HN 0.860 nan 8.380 nan 0.000 0.555 679 D N -0.902 119.563 120.400 0.108 0.000 2.718 679 D HA -0.189 4.451 4.640 0.000 0.000 0.242 679 D C -0.682 175.731 176.300 0.188 0.000 1.123 679 D CA 0.934 55.019 54.000 0.142 0.000 0.690 679 D CB -1.334 39.542 40.800 0.126 0.000 1.059 679 D HN 0.659 nan 8.370 nan 0.000 0.429 680 E N -0.082 120.248 120.200 0.216 0.000 2.502 680 E HA 0.319 4.669 4.350 0.000 0.000 0.261 680 E C -0.192 176.702 176.600 0.490 0.000 0.974 680 E CA -0.704 55.937 56.400 0.402 0.000 0.795 680 E CB 1.949 31.987 29.700 0.563 0.000 1.385 680 E HN -0.037 nan 8.360 nan 0.000 0.400 681 V N 3.516 123.648 119.914 0.363 0.000 2.403 681 V HA 0.097 4.217 4.120 0.000 0.000 0.265 681 V C -0.223 176.238 176.094 0.611 0.000 1.034 681 V CA 0.188 62.613 62.300 0.208 0.000 1.036 681 V CB -1.030 30.470 31.823 -0.538 0.000 1.032 681 V HN 0.423 nan 8.190 nan 0.000 0.478 682 F N 3.319 123.462 119.950 0.322 0.000 2.391 682 F HA 0.451 4.978 4.527 0.000 0.000 0.359 682 F C 0.561 176.697 175.800 0.560 0.000 1.122 682 F CA -1.252 57.149 58.000 0.668 0.000 1.120 682 F CB 1.262 40.637 39.000 0.625 0.000 1.142 682 F HN 0.496 nan 8.300 nan 0.000 0.483 683 E N 2.323 122.868 120.200 0.575 0.000 2.183 683 E HA 0.579 4.929 4.350 0.000 0.000 0.250 683 E C -0.729 176.057 176.600 0.310 0.000 0.901 683 E CA -0.571 56.062 56.400 0.388 0.000 0.741 683 E CB 0.822 30.711 29.700 0.315 0.000 1.182 683 E HN 0.660 nan 8.360 nan 0.000 0.425 684 A N 4.094 127.202 122.820 0.481 0.000 2.906 684 A HA 0.292 4.612 4.320 0.000 0.000 0.289 684 A C 0.796 178.561 177.584 0.303 0.000 1.675 684 A CA 0.103 52.366 52.037 0.377 0.000 1.372 684 A CB -0.355 18.960 19.000 0.524 0.000 1.091 684 A HN 0.648 nan 8.150 nan 0.000 0.579 685 G N 2.953 111.913 108.800 0.267 0.000 2.661 685 G HA2 0.326 4.286 3.960 0.000 0.000 0.292 685 G HA3 0.326 4.286 3.960 0.000 0.000 0.292 685 G C 0.540 175.555 174.900 0.192 0.000 0.781 685 G CA 0.081 45.330 45.100 0.247 0.000 1.860 685 G HN 0.610 nan 8.290 nan 0.000 0.512 686 T N 2.483 117.145 114.554 0.180 0.000 2.856 686 T HA -0.064 4.286 4.350 0.000 0.000 0.327 686 T C 1.225 175.984 174.700 0.098 0.000 1.061 686 T CA 1.067 63.247 62.100 0.133 0.000 1.131 686 T CB 0.439 69.377 68.868 0.117 0.000 1.083 686 T HN 0.802 nan 8.240 nan 0.000 0.518 687 D N 0.035 120.480 120.400 0.075 0.000 4.473 687 D HA -0.192 4.448 4.640 0.000 0.000 0.201 687 D C 0.594 176.935 176.300 0.067 0.000 0.853 687 D CA 1.959 55.993 54.000 0.057 0.000 1.930 687 D CB -1.354 39.474 40.800 0.047 0.000 1.102 687 D HN 0.860 nan 8.370 nan 0.000 0.417 688 G N 0.071 108.916 108.800 0.075 0.000 2.571 688 G HA2 0.642 4.602 3.960 0.000 0.000 0.304 688 G HA3 0.642 4.602 3.960 0.000 0.000 0.304 688 G C -0.678 174.274 174.900 0.087 0.000 1.314 688 G CA 0.299 45.441 45.100 0.071 0.000 0.975 688 G HN 0.520 nan 8.290 nan 0.000 0.485 689 R N -1.722 118.790 120.500 0.019 0.000 4.220 689 R HA 0.011 4.351 4.340 0.000 0.000 0.314 689 R C -1.251 175.021 176.300 -0.047 0.000 0.248 689 R CA 0.480 56.476 56.100 -0.173 0.000 1.043 689 R CB -0.917 29.488 30.300 0.176 0.000 1.220 689 R HN 1.830 nan 8.270 nan 0.000 0.440 690 F N -1.892 117.753 119.950 -0.509 0.000 2.612 690 F HA 0.568 5.095 4.527 0.000 0.000 0.306 690 F C -1.889 173.357 175.800 -0.924 0.000 0.981 690 F CA -1.315 56.330 58.000 -0.591 0.000 1.037 690 F CB 0.302 38.858 39.000 -0.738 0.000 1.301 690 F HN 0.251 nan 8.300 nan 0.000 0.554 691 F N 2.030 121.674 119.950 -0.511 0.000 2.620 691 F HA 0.967 5.494 4.527 0.000 0.000 0.320 691 F C -0.113 175.548 175.800 -0.231 0.000 1.069 691 F CA -1.672 56.123 58.000 -0.341 0.000 0.953 691 F CB 2.145 41.024 39.000 -0.202 0.000 1.322 691 F HN 0.906 nan 8.300 nan 0.000 0.479 692 A N 1.123 123.966 122.820 0.038 0.000 2.353 692 A HA 0.783 5.103 4.320 0.000 0.000 0.299 692 A C -1.748 175.857 177.584 0.035 0.000 1.089 692 A CA -0.510 51.609 52.037 0.137 0.000 0.736 692 A CB 0.338 19.390 19.000 0.086 0.000 1.195 692 A HN 0.595 nan 8.150 nan 0.000 0.447 693 Y N 1.092 121.399 120.300 0.012 0.000 2.698 693 Y HA 0.779 5.329 4.550 0.000 0.000 0.349 693 Y C 0.733 176.714 175.900 0.134 0.000 1.242 693 Y CA -1.370 56.750 58.100 0.034 0.000 1.341 693 Y CB 0.678 39.124 38.460 -0.024 0.000 1.558 693 Y HN 0.489 nan 8.280 nan 0.000 0.649 694 R N 0.070 120.799 120.500 0.382 0.000 2.797 694 R HA 0.201 4.541 4.340 0.000 0.000 0.274 694 R C 0.361 176.814 176.300 0.255 0.000 1.652 694 R CA -0.350 55.904 56.100 0.257 0.000 1.175 694 R CB 0.944 31.354 30.300 0.182 0.000 1.283 694 R HN 0.656 nan 8.270 nan 0.000 0.513 695 V N 1.443 121.500 119.914 0.240 0.000 2.440 695 V HA -0.381 3.739 4.120 0.000 0.000 0.273 695 V C 1.383 177.565 176.094 0.146 0.000 1.166 695 V CA 2.276 64.704 62.300 0.213 0.000 1.132 695 V CB 0.157 32.083 31.823 0.172 0.000 0.735 695 V HN 0.563 nan 8.190 nan 0.000 0.460 696 E N -0.151 120.068 120.200 0.033 0.000 3.388 696 E HA 0.136 4.486 4.350 0.000 0.000 0.390 696 E C 1.101 177.452 176.600 -0.415 0.000 0.432 696 E CA 0.761 57.078 56.400 -0.139 0.000 2.109 696 E CB -1.067 28.601 29.700 -0.054 0.000 2.195 696 E HN 0.609 nan 8.360 nan 0.000 0.488 697 T N 1.654 116.069 114.554 -0.233 0.000 2.833 697 T HA 0.099 4.449 4.350 0.000 0.000 0.254 697 T C 0.295 174.948 174.700 -0.078 0.000 0.972 697 T CA -0.369 61.603 62.100 -0.212 0.000 1.246 697 T CB -1.514 67.319 68.868 -0.059 0.000 0.949 697 T HN -0.052 nan 8.240 nan 0.000 0.567 698 F N 1.905 121.948 119.950 0.155 0.000 2.670 698 F HA 0.197 4.724 4.527 0.000 0.000 0.325 698 F C 1.319 177.216 175.800 0.161 0.000 1.125 698 F CA 0.321 58.440 58.000 0.197 0.000 1.345 698 F CB 0.085 39.255 39.000 0.285 0.000 1.019 698 F HN 0.717 nan 8.300 nan 0.000 0.640 699 D N 0.735 121.333 120.400 0.330 0.000 2.115 699 D HA 0.019 4.659 4.640 0.000 0.000 0.161 699 D C -0.847 175.508 176.300 0.092 0.000 1.181 699 D CA -0.429 53.694 54.000 0.205 0.000 0.868 699 D CB 0.520 41.419 40.800 0.164 0.000 2.440 699 D HN 0.628 nan 8.370 nan 0.000 0.502 700 E N 2.038 122.327 120.200 0.149 0.000 2.485 700 E HA 0.237 4.587 4.350 0.000 0.000 0.266 700 E C 0.039 176.676 176.600 0.061 0.000 1.090 700 E CA 0.366 56.831 56.400 0.109 0.000 0.987 700 E CB 0.739 30.518 29.700 0.131 0.000 0.974 700 E HN 0.401 nan 8.360 nan 0.000 0.455 701 I N 2.457 123.056 120.570 0.048 0.000 2.624 701 I HA 0.029 4.199 4.170 0.000 0.000 0.293 701 I C -2.611 173.549 176.117 0.073 0.000 1.774 701 I CA -1.551 59.784 61.300 0.059 0.000 1.013 701 I CB 1.596 39.639 38.000 0.071 0.000 1.557 701 I HN 0.395 nan 8.210 nan 0.000 0.509 702 P HA -0.133 nan 4.420 nan 0.000 0.255 702 P C -1.037 176.330 177.300 0.111 0.000 1.114 702 P CA 0.855 64.010 63.100 0.092 0.000 0.765 702 P CB -0.264 31.471 31.700 0.058 0.000 0.694 703 F N 4.199 124.153 119.950 0.007 0.000 2.404 703 F HA 0.270 4.797 4.527 0.000 0.000 0.339 703 F C 0.309 176.071 175.800 -0.063 0.000 1.105 703 F CA -0.584 57.385 58.000 -0.052 0.000 1.087 703 F CB 0.887 39.989 39.000 0.169 0.000 1.143 703 F HN 0.189 nan 8.300 nan 0.000 0.491 704 D N 5.887 125.914 120.400 -0.621 0.000 2.414 704 D HA 0.158 4.798 4.640 0.000 0.000 0.232 704 D C 1.304 177.400 176.300 -0.339 0.000 1.070 704 D CA -0.011 53.787 54.000 -0.336 0.000 0.839 704 D CB 2.032 42.772 40.800 -0.101 0.000 1.079 704 D HN 0.497 nan 8.370 nan 0.000 0.521 705 V N 0.954 120.710 119.914 -0.264 0.000 2.546 705 V HA -0.297 3.823 4.120 0.000 0.000 0.254 705 V C 1.779 177.871 176.094 -0.003 0.000 1.076 705 V CA 1.415 63.606 62.300 -0.181 0.000 1.087 705 V CB -0.380 31.358 31.823 -0.142 0.000 0.674 705 V HN 0.413 nan 8.190 nan 0.000 0.470 706 Q N 0.214 120.010 119.800 -0.008 0.000 1.896 706 Q HA -0.084 4.256 4.340 0.000 0.000 0.205 706 Q C 2.424 178.468 176.000 0.073 0.000 0.978 706 Q CA 1.374 57.199 55.803 0.036 0.000 0.850 706 Q CB -0.396 28.352 28.738 0.016 0.000 0.908 706 Q HN 0.500 nan 8.270 nan 0.000 0.431 707 K N 0.510 120.958 120.400 0.080 0.000 2.207 707 K HA -0.206 4.114 4.320 0.000 0.000 0.208 707 K C 1.895 178.545 176.600 0.083 0.000 1.046 707 K CA 1.115 57.464 56.287 0.104 0.000 0.929 707 K CB -0.662 32.002 32.500 0.274 0.000 0.720 707 K HN 0.188 nan 8.250 nan 0.000 0.463 708 F N 0.940 120.889 119.950 -0.002 0.000 2.039 708 F HA -0.191 4.336 4.527 0.000 0.000 0.294 708 F C 2.232 178.025 175.800 -0.010 0.000 1.130 708 F CA 1.505 59.509 58.000 0.007 0.000 1.189 708 F CB -0.723 38.227 39.000 -0.084 0.000 0.983 708 F HN 0.086 nan 8.300 nan 0.000 0.471 709 A N 1.353 124.319 122.820 0.244 0.000 2.223 709 A HA -0.461 3.859 4.320 0.000 0.000 0.247 709 A C 2.108 179.663 177.584 -0.049 0.000 2.041 709 A CA 3.145 55.257 52.037 0.125 0.000 0.965 709 A CB -1.919 17.134 19.000 0.088 0.000 0.749 709 A HN 0.688 nan 8.150 nan 0.000 0.510 710 D N 0.149 120.512 120.400 -0.063 0.000 2.137 710 D HA -0.210 4.430 4.640 0.000 0.000 0.193 710 D C 1.878 178.066 176.300 -0.186 0.000 0.993 710 D CA 1.918 55.855 54.000 -0.105 0.000 0.846 710 D CB -1.130 39.620 40.800 -0.084 0.000 0.990 710 D HN 0.530 nan 8.370 nan 0.000 0.448 711 L N 0.201 121.290 121.223 -0.223 0.000 2.483 711 L HA -0.209 4.131 4.340 0.000 0.000 0.224 711 L C 2.503 179.181 176.870 -0.320 0.000 1.135 711 L CA 0.593 55.266 54.840 -0.278 0.000 0.790 711 L CB -0.268 41.575 42.059 -0.360 0.000 0.911 711 L HN 0.079 nan 8.230 nan 0.000 0.445 712 V N -1.871 117.819 119.914 -0.373 0.000 2.490 712 V HA -0.144 3.976 4.120 0.000 0.000 0.238 712 V C 2.320 178.254 176.094 -0.268 0.000 1.056 712 V CA 1.610 63.686 62.300 -0.373 0.000 1.075 712 V CB -0.270 31.233 31.823 -0.532 0.000 0.746 712 V HN 0.345 nan 8.190 nan 0.000 0.479 713 T N 1.805 116.229 114.554 -0.217 0.000 2.567 713 T HA -0.287 4.063 4.350 0.000 0.000 0.261 713 T C 1.228 175.676 174.700 -0.421 0.000 1.123 713 T CA 2.288 64.238 62.100 -0.250 0.000 1.166 713 T CB -0.510 68.271 68.868 -0.145 0.000 0.860 713 T HN 0.792 nan 8.240 nan 0.000 0.436 714 D N 0.109 120.328 120.400 -0.301 0.000 2.431 714 D HA 0.212 4.852 4.640 0.000 0.000 0.213 714 D C 0.292 176.455 176.300 -0.228 0.000 1.130 714 D CA -0.098 53.731 54.000 -0.284 0.000 0.834 714 D CB 0.294 40.973 40.800 -0.200 0.000 0.985 714 D HN 0.244 nan 8.370 nan 0.000 0.504 715 S N 1.513 117.082 115.700 -0.218 0.000 2.747 715 S HA 0.535 5.005 4.470 0.000 0.000 0.300 715 S C -2.445 172.066 174.600 -0.149 0.000 1.121 715 S CA -1.028 57.074 58.200 -0.165 0.000 0.995 715 S CB 1.851 64.959 63.200 -0.153 0.000 1.113 715 S HN 0.089 nan 8.310 nan 0.000 0.547 716 P HA 0.278 nan 4.420 nan 0.000 0.271 716 P C -0.910 176.359 177.300 -0.051 0.000 1.216 716 P CA -0.151 62.907 63.100 -0.070 0.000 0.776 716 P CB 0.505 32.175 31.700 -0.049 0.000 0.881 717 V N 3.172 123.083 119.914 -0.006 0.000 3.284 717 V HA 0.550 4.670 4.120 0.000 0.000 0.309 717 V C 0.571 176.726 176.094 0.102 0.000 1.190 717 V CA -0.941 61.395 62.300 0.060 0.000 1.038 717 V CB 1.527 33.419 31.823 0.115 0.000 1.198 717 V HN 0.424 nan 8.190 nan 0.000 0.465 718 I N 0.473 121.148 120.570 0.174 0.000 2.656 718 I HA 0.252 4.422 4.170 0.000 0.000 0.292 718 I C -0.133 176.066 176.117 0.137 0.000 1.144 718 I CA -0.403 60.960 61.300 0.106 0.000 1.038 718 I CB 2.525 40.523 38.000 -0.002 0.000 1.244 718 I HN 0.663 nan 8.210 nan 0.000 0.420 719 S N 4.113 119.844 115.700 0.051 0.000 4.069 719 S HA 0.351 4.821 4.470 0.000 0.000 0.192 719 S C 0.759 175.190 174.600 -0.282 0.000 1.441 719 S CA -0.608 57.551 58.200 -0.068 0.000 0.994 719 S CB -0.130 63.062 63.200 -0.012 0.000 1.456 719 S HN 0.738 nan 8.310 nan 0.000 0.458 720 A N 3.415 126.135 122.820 -0.167 0.000 2.378 720 A HA -0.053 4.267 4.320 0.000 0.000 0.304 720 A C 1.429 178.853 177.584 -0.267 0.000 0.981 720 A CA -0.057 51.877 52.037 -0.172 0.000 1.200 720 A CB -0.791 18.158 19.000 -0.084 0.000 0.776 720 A HN 0.705 nan 8.150 nan 0.000 0.414 721 I N 2.507 122.867 120.570 -0.350 0.000 2.090 721 I HA -0.156 4.014 4.170 0.000 0.000 0.236 721 I C 1.478 177.456 176.117 -0.232 0.000 1.064 721 I CA 1.628 62.693 61.300 -0.391 0.000 1.324 721 I CB -0.802 37.008 38.000 -0.317 0.000 1.044 721 I HN 0.818 nan 8.210 nan 0.000 0.399 722 I N 0.066 120.519 120.570 -0.196 0.000 2.437 722 I HA 0.312 4.482 4.170 0.000 0.000 0.298 722 I C -0.016 176.019 176.117 -0.135 0.000 0.984 722 I CA -0.716 60.495 61.300 -0.149 0.000 1.214 722 I CB 1.543 39.445 38.000 -0.164 0.000 1.365 722 I HN 0.182 nan 8.210 nan 0.000 0.469 723 D N 5.421 125.764 120.400 -0.096 0.000 2.589 723 D HA 0.185 4.825 4.640 0.000 0.000 0.268 723 D C 0.713 176.990 176.300 -0.039 0.000 1.182 723 D CA -0.575 53.376 54.000 -0.083 0.000 1.087 723 D CB 0.979 41.742 40.800 -0.061 0.000 1.186 723 D HN 0.611 nan 8.370 nan 0.000 0.620 724 F N 1.003 120.802 119.950 -0.252 0.000 1.982 724 F HA -0.255 4.272 4.527 0.000 0.000 0.296 724 F C 2.399 178.040 175.800 -0.265 0.000 1.199 724 F CA 1.015 58.855 58.000 -0.267 0.000 1.174 724 F CB 0.007 38.664 39.000 -0.573 0.000 0.963 724 F HN 0.086 nan 8.300 nan 0.000 0.495 725 K N 0.286 120.544 120.400 -0.237 0.000 2.017 725 K HA -0.341 3.979 4.320 0.000 0.000 0.229 725 K C 1.727 178.248 176.600 -0.132 0.000 1.004 725 K CA 2.945 59.075 56.287 -0.262 0.000 0.991 725 K CB -1.899 30.491 32.500 -0.183 0.000 0.773 725 K HN 0.573 nan 8.250 nan 0.000 0.453 726 T N 0.311 114.820 114.554 -0.075 0.000 2.699 726 T HA -0.181 4.169 4.350 0.000 0.000 0.268 726 T C 2.030 176.723 174.700 -0.012 0.000 1.036 726 T CA 1.522 63.599 62.100 -0.039 0.000 1.147 726 T CB -0.455 68.382 68.868 -0.051 0.000 0.862 726 T HN 0.093 nan 8.240 nan 0.000 0.446 727 L N 1.507 122.721 121.223 -0.015 0.000 1.961 727 L HA 0.089 4.429 4.340 0.000 0.000 0.210 727 L C 2.746 179.663 176.870 0.079 0.000 1.072 727 L CA 2.050 56.880 54.840 -0.016 0.000 0.749 727 L CB -0.963 41.005 42.059 -0.152 0.000 0.889 727 L HN 0.278 nan 8.230 nan 0.000 0.432 728 K N -0.857 119.624 120.400 0.135 0.000 2.074 728 K HA -0.255 4.065 4.320 0.000 0.000 0.209 728 K C 1.953 178.630 176.600 0.128 0.000 1.048 728 K CA 1.963 58.369 56.287 0.198 0.000 0.926 728 K CB -0.143 32.358 32.500 0.003 0.000 0.713 728 K HN 0.330 nan 8.250 nan 0.000 0.444 729 N N 0.452 119.180 118.700 0.047 0.000 2.223 729 N HA -0.146 4.594 4.740 0.000 0.000 0.185 729 N C 1.481 177.088 175.510 0.161 0.000 1.016 729 N CA 0.859 53.947 53.050 0.063 0.000 0.863 729 N CB -0.080 38.425 38.487 0.030 0.000 0.983 729 N HN 0.175 nan 8.380 nan 0.000 0.429 730 L N 0.599 121.942 121.223 0.201 0.000 2.044 730 L HA 0.012 4.352 4.340 0.000 0.000 0.205 730 L C 1.816 178.879 176.870 0.323 0.000 1.075 730 L CA 1.618 56.647 54.840 0.314 0.000 0.747 730 L CB -0.987 41.176 42.059 0.174 0.000 0.903 730 L HN 0.179 nan 8.230 nan 0.000 0.435 731 N N -0.264 118.614 118.700 0.297 0.000 2.069 731 N HA -0.266 4.474 4.740 0.000 0.000 0.191 731 N C 1.680 177.325 175.510 0.225 0.000 1.031 731 N CA 1.974 55.216 53.050 0.321 0.000 0.852 731 N CB -0.309 38.476 38.487 0.497 0.000 1.018 731 N HN 0.541 nan 8.380 nan 0.000 0.423 732 D N 0.142 120.653 120.400 0.185 0.000 2.137 732 D HA -0.066 4.574 4.640 0.000 0.000 0.202 732 D C 1.362 177.697 176.300 0.057 0.000 0.970 732 D CA 0.515 54.580 54.000 0.109 0.000 0.837 732 D CB -0.187 40.663 40.800 0.083 0.000 0.981 732 D HN 0.205 nan 8.370 nan 0.000 0.475 733 N N -0.080 118.637 118.700 0.028 0.000 2.014 733 N HA -0.156 4.584 4.740 0.000 0.000 0.194 733 N C 1.149 176.580 175.510 -0.132 0.000 1.083 733 N CA 0.916 53.879 53.050 -0.144 0.000 0.870 733 N CB -1.034 37.240 38.487 -0.355 0.000 1.061 733 N HN 0.240 nan 8.380 nan 0.000 0.427 734 Y N -0.050 120.293 120.300 0.073 0.000 2.527 734 Y HA 0.209 4.759 4.550 0.000 0.000 0.461 734 Y C 1.950 177.906 175.900 0.093 0.000 1.330 734 Y CA 0.416 58.566 58.100 0.084 0.000 2.062 734 Y CB -0.625 37.906 38.460 0.117 0.000 1.757 734 Y HN 0.161 nan 8.280 nan 0.000 0.696 735 G N -1.155 107.810 108.800 0.275 0.000 3.407 735 G HA2 0.618 4.578 3.960 0.000 0.000 0.187 735 G HA3 0.618 4.578 3.960 0.000 0.000 0.187 735 G C -1.132 173.899 174.900 0.218 0.000 1.262 735 G CA -0.570 44.643 45.100 0.189 0.000 0.808 735 G HN 0.506 nan 8.290 nan 0.000 0.687 736 I N 0.815 121.499 120.570 0.189 0.000 5.471 736 I HA -0.054 4.116 4.170 0.000 0.000 0.261 736 I C 0.161 176.365 176.117 0.145 0.000 1.811 736 I CA -0.612 60.819 61.300 0.217 0.000 1.936 736 I CB -0.897 37.241 38.000 0.230 0.000 3.342 736 I HN 0.607 nan 8.210 nan 0.000 0.214 737 S N 3.586 119.366 115.700 0.134 0.000 2.559 737 S HA 0.218 4.688 4.470 0.000 0.000 0.282 737 S C 1.376 176.029 174.600 0.088 0.000 1.336 737 S CA -0.125 58.129 58.200 0.091 0.000 1.037 737 S CB 1.252 64.503 63.200 0.085 0.000 0.853 737 S HN 0.637 nan 8.310 nan 0.000 0.523 738 R N 0.830 121.363 120.500 0.055 0.000 2.091 738 R HA -0.193 4.147 4.340 0.000 0.000 0.238 738 R C 2.486 178.845 176.300 0.099 0.000 1.136 738 R CA 1.794 57.927 56.100 0.055 0.000 0.959 738 R CB -0.626 29.686 30.300 0.020 0.000 0.856 738 R HN 0.836 nan 8.270 nan 0.000 0.437 739 Q N 1.482 121.331 119.800 0.081 0.000 1.956 739 Q HA -0.241 4.099 4.340 0.000 0.000 0.208 739 Q C 1.896 177.993 176.000 0.161 0.000 0.998 739 Q CA 2.080 57.943 55.803 0.100 0.000 0.855 739 Q CB -0.405 28.376 28.738 0.072 0.000 0.928 739 Q HN 0.365 nan 8.270 nan 0.000 0.418 740 Q N -0.033 119.859 119.800 0.153 0.000 1.900 740 Q HA -0.280 4.060 4.340 0.000 0.000 0.219 740 Q C 2.057 178.140 176.000 0.138 0.000 1.012 740 Q CA 1.897 57.802 55.803 0.169 0.000 0.876 740 Q CB -0.771 28.114 28.738 0.244 0.000 0.952 740 Q HN 0.553 nan 8.270 nan 0.000 0.419 741 A N 1.123 124.028 122.820 0.142 0.000 1.899 741 A HA -0.321 3.999 4.320 0.000 0.000 0.230 741 A C 1.899 179.552 177.584 0.116 0.000 1.593 741 A CA 2.341 54.463 52.037 0.142 0.000 0.728 741 A CB -1.503 17.603 19.000 0.177 0.000 0.848 741 A HN 0.556 nan 8.150 nan 0.000 0.490 742 F N 0.975 120.947 119.950 0.036 0.000 2.271 742 F HA -0.252 4.275 4.527 0.000 0.000 0.302 742 F C 1.779 177.579 175.800 0.000 0.000 1.063 742 F CA 2.235 60.247 58.000 0.019 0.000 1.362 742 F CB -0.257 38.752 39.000 0.015 0.000 1.060 742 F HN 0.347 nan 8.300 nan 0.000 0.521 743 N N -0.128 118.571 118.700 -0.002 0.000 2.349 743 N HA 0.062 4.802 4.740 0.000 0.000 0.180 743 N C 1.600 177.022 175.510 -0.146 0.000 1.024 743 N CA 0.852 53.856 53.050 -0.076 0.000 0.869 743 N CB -0.451 38.054 38.487 0.030 0.000 1.022 743 N HN 0.220 nan 8.380 nan 0.000 0.433 744 L N 0.747 121.895 121.223 -0.126 0.000 2.661 744 L HA -0.104 4.236 4.340 0.000 0.000 0.236 744 L C 1.230 177.982 176.870 -0.198 0.000 1.176 744 L CA 0.580 55.309 54.840 -0.185 0.000 0.836 744 L CB -0.364 41.571 42.059 -0.207 0.000 0.960 744 L HN 0.239 nan 8.230 nan 0.000 0.455 745 L N -1.491 119.601 121.223 -0.219 0.000 2.347 745 L HA 0.058 4.398 4.340 0.000 0.000 0.196 745 L C 2.253 178.981 176.870 -0.237 0.000 1.072 745 L CA -0.010 54.683 54.840 -0.245 0.000 0.817 745 L CB -0.364 41.527 42.059 -0.279 0.000 1.029 745 L HN 0.108 nan 8.230 nan 0.000 0.478 746 R N 0.756 121.092 120.500 -0.273 0.000 2.377 746 R HA -0.058 4.282 4.340 0.000 0.000 0.207 746 R C 0.926 177.129 176.300 -0.161 0.000 1.075 746 R CA 0.702 56.675 56.100 -0.212 0.000 1.035 746 R CB -0.902 29.268 30.300 -0.217 0.000 0.857 746 R HN 0.387 nan 8.270 nan 0.000 0.475 747 S N 1.513 117.108 115.700 -0.176 0.000 3.783 747 S HA -0.162 4.308 4.470 0.000 0.000 0.360 747 S C -0.056 174.464 174.600 -0.133 0.000 1.006 747 S CA 0.556 58.655 58.200 -0.170 0.000 1.115 747 S CB -1.315 61.776 63.200 -0.182 0.000 0.893 747 S HN 0.557 nan 8.310 nan 0.000 0.475 748 D N 1.168 121.498 120.400 -0.116 0.000 2.443 748 D HA 0.201 4.841 4.640 0.000 0.000 0.239 748 D C -0.798 175.462 176.300 -0.067 0.000 1.136 748 D CA -1.255 52.701 54.000 -0.074 0.000 0.879 748 D CB 1.061 41.833 40.800 -0.047 0.000 1.195 748 D HN 0.256 nan 8.370 nan 0.000 0.443 749 P HA -0.072 nan 4.420 nan 0.000 0.210 749 P C 1.320 178.608 177.300 -0.019 0.000 1.191 749 P CA 1.047 64.124 63.100 -0.039 0.000 0.917 749 P CB 0.219 31.904 31.700 -0.025 0.000 0.778 750 R N -0.335 120.165 120.500 0.001 0.000 2.507 750 R HA -0.188 4.152 4.340 0.000 0.000 0.197 750 R C 2.045 178.374 176.300 0.048 0.000 0.952 750 R CA 2.224 58.339 56.100 0.025 0.000 0.778 750 R CB -1.865 28.455 30.300 0.033 0.000 0.719 750 R HN -0.063 nan 8.270 nan 0.000 0.447 751 V N 1.133 121.086 119.914 0.066 0.000 2.352 751 V HA -0.327 3.793 4.120 0.000 0.000 0.266 751 V C 2.234 178.390 176.094 0.104 0.000 1.117 751 V CA 2.236 64.611 62.300 0.124 0.000 1.109 751 V CB -0.749 31.119 31.823 0.073 0.000 0.705 751 V HN 0.364 nan 8.190 nan 0.000 0.455 752 L N 0.180 121.392 121.223 -0.018 0.000 2.023 752 L HA -0.066 4.274 4.340 0.000 0.000 0.205 752 L C 2.622 179.511 176.870 0.032 0.000 1.073 752 L CA 2.385 57.176 54.840 -0.081 0.000 0.745 752 L CB -0.866 41.122 42.059 -0.119 0.000 0.900 752 L HN 0.300 nan 8.230 nan 0.000 0.435 753 R N -0.492 120.025 120.500 0.029 0.000 2.119 753 R HA -0.215 4.125 4.340 0.000 0.000 0.246 753 R C 1.932 178.282 176.300 0.084 0.000 1.146 753 R CA 1.672 57.795 56.100 0.037 0.000 0.962 753 R CB -0.260 30.052 30.300 0.021 0.000 0.863 753 R HN 0.427 nan 8.270 nan 0.000 0.442 754 E N 0.553 120.835 120.200 0.136 0.000 1.987 754 E HA -0.236 4.114 4.350 0.000 0.000 0.214 754 E C 1.819 178.503 176.600 0.140 0.000 1.012 754 E CA 1.720 58.197 56.400 0.127 0.000 0.881 754 E CB -0.952 28.849 29.700 0.168 0.000 0.806 754 E HN 0.215 nan 8.360 nan 0.000 0.516 755 F N 1.008 120.929 119.950 -0.048 0.000 2.174 755 F HA -0.296 4.231 4.527 0.000 0.000 0.296 755 F C 2.655 178.409 175.800 -0.076 0.000 1.182 755 F CA 1.781 59.739 58.000 -0.071 0.000 1.265 755 F CB -1.470 37.474 39.000 -0.093 0.000 0.920 755 F HN 0.170 nan 8.300 nan 0.000 0.548 756 I N -0.057 120.606 120.570 0.155 0.000 2.227 756 I HA -0.427 3.743 4.170 0.000 0.000 0.250 756 I C 2.402 178.532 176.117 0.021 0.000 1.087 756 I CA 2.297 63.624 61.300 0.045 0.000 1.352 756 I CB -0.337 37.671 38.000 0.013 0.000 1.043 756 I HN 0.374 nan 8.210 nan 0.000 0.425 757 N N 0.050 118.766 118.700 0.027 0.000 2.251 757 N HA -0.186 4.554 4.740 0.000 0.000 0.181 757 N C 1.765 177.268 175.510 -0.011 0.000 1.019 757 N CA 1.366 54.419 53.050 0.005 0.000 0.862 757 N CB 0.017 38.509 38.487 0.009 0.000 0.992 757 N HN 0.467 nan 8.380 nan 0.000 0.429 758 Q N 1.020 120.804 119.800 -0.027 0.000 1.922 758 Q HA 0.067 4.407 4.340 0.000 0.000 0.224 758 Q C 1.291 177.251 176.000 -0.066 0.000 0.973 758 Q CA 1.406 57.172 55.803 -0.062 0.000 0.858 758 Q CB -0.527 28.138 28.738 -0.121 0.000 0.910 758 Q HN 0.212 nan 8.270 nan 0.000 0.456 759 D N 1.110 121.443 120.400 -0.111 0.000 2.156 759 D HA -0.208 4.432 4.640 0.000 0.000 0.190 759 D C -0.103 176.169 176.300 -0.047 0.000 0.998 759 D CA 1.781 55.722 54.000 -0.098 0.000 0.842 759 D CB -0.377 40.317 40.800 -0.177 0.000 0.974 759 D HN 0.467 nan 8.370 nan 0.000 0.447 760 N N 0.730 119.400 118.700 -0.049 0.000 3.022 760 N HA -0.078 4.662 4.740 0.000 0.000 0.246 760 N C -2.484 173.009 175.510 -0.028 0.000 1.119 760 N CA 0.446 53.478 53.050 -0.029 0.000 0.681 760 N CB -1.273 37.210 38.487 -0.006 0.000 1.037 760 N HN 0.329 nan 8.380 nan 0.000 0.561 761 P HA 0.431 nan 4.420 nan 0.000 0.314 761 P C 1.661 178.923 177.300 -0.063 0.000 1.246 761 P CA -0.596 62.464 63.100 -0.068 0.000 0.781 761 P CB 0.640 32.141 31.700 -0.331 0.000 1.921 762 I N -0.016 120.530 120.570 -0.040 0.000 2.094 762 I HA -0.339 3.831 4.170 0.000 0.000 0.236 762 I C 2.560 178.644 176.117 -0.056 0.000 1.016 762 I CA 2.001 63.311 61.300 0.017 0.000 1.294 762 I CB -1.122 36.930 38.000 0.086 0.000 1.006 762 I HN 0.092 nan 8.210 nan 0.000 0.397 763 I N 0.212 120.707 120.570 -0.125 0.000 2.244 763 I HA -0.376 3.794 4.170 0.000 0.000 0.252 763 I C 2.187 178.264 176.117 -0.067 0.000 1.062 763 I CA 1.615 62.855 61.300 -0.101 0.000 1.342 763 I CB -0.707 37.236 38.000 -0.095 0.000 1.031 763 I HN 0.300 nan 8.210 nan 0.000 0.433 764 R N 1.167 121.636 120.500 -0.052 0.000 2.340 764 R HA 0.000 4.340 4.340 0.000 0.000 0.215 764 R C 0.809 177.094 176.300 -0.025 0.000 1.017 764 R CA 0.304 56.385 56.100 -0.033 0.000 1.111 764 R CB -0.251 30.036 30.300 -0.022 0.000 1.049 764 R HN 0.613 nan 8.270 nan 0.000 0.490 765 N N -0.308 118.376 118.700 -0.027 0.000 2.594 765 N HA -0.047 4.693 4.740 0.000 0.000 0.237 765 N C 1.517 177.010 175.510 -0.029 0.000 1.057 765 N CA 0.001 53.039 53.050 -0.020 0.000 0.883 765 N CB -0.322 38.161 38.487 -0.007 0.000 1.538 765 N HN -0.035 nan 8.380 nan 0.000 0.451 766 R N 1.977 122.454 120.500 -0.038 0.000 2.117 766 R HA 0.114 4.454 4.340 0.000 0.000 0.243 766 R C 1.833 178.101 176.300 -0.054 0.000 1.143 766 R CA 1.069 57.141 56.100 -0.047 0.000 0.968 766 R CB -0.742 29.520 30.300 -0.064 0.000 0.863 766 R HN 0.273 nan 8.270 nan 0.000 0.444 767 I N -0.171 120.363 120.570 -0.060 0.000 2.130 767 I HA -0.193 3.977 4.170 0.000 0.000 0.232 767 I C 2.383 178.471 176.117 -0.050 0.000 1.064 767 I CA 1.520 62.781 61.300 -0.065 0.000 1.338 767 I CB -0.644 37.317 38.000 -0.064 0.000 1.084 767 I HN 0.334 nan 8.210 nan 0.000 0.404 768 E N 1.087 121.263 120.200 -0.041 0.000 2.113 768 E HA -0.361 3.989 4.350 0.000 0.000 0.210 768 E C 2.166 178.747 176.600 -0.033 0.000 1.040 768 E CA 2.082 58.462 56.400 -0.034 0.000 0.847 768 E CB -0.182 29.502 29.700 -0.026 0.000 0.755 768 E HN 0.434 nan 8.360 nan 0.000 0.459 769 Q N -0.047 119.736 119.800 -0.028 0.000 2.173 769 Q HA -0.224 4.116 4.340 0.000 0.000 0.208 769 Q C 2.521 178.505 176.000 -0.027 0.000 0.989 769 Q CA 1.816 57.605 55.803 -0.023 0.000 0.872 769 Q CB -0.232 28.496 28.738 -0.017 0.000 0.909 769 Q HN 0.474 nan 8.270 nan 0.000 0.420 770 L N 0.111 121.318 121.223 -0.027 0.000 2.046 770 L HA -0.219 4.121 4.340 0.000 0.000 0.208 770 L C 2.382 179.218 176.870 -0.058 0.000 1.077 770 L CA 0.972 55.798 54.840 -0.023 0.000 0.747 770 L CB -0.479 41.571 42.059 -0.014 0.000 0.896 770 L HN 0.282 nan 8.230 nan 0.000 0.432 771 I N -0.540 119.991 120.570 -0.064 0.000 2.127 771 I HA -0.365 3.805 4.170 0.000 0.000 0.241 771 I C 2.688 178.747 176.117 -0.097 0.000 1.075 771 I CA 1.552 62.800 61.300 -0.086 0.000 1.334 771 I CB -0.220 37.745 38.000 -0.060 0.000 1.040 771 I HN 0.312 nan 8.210 nan 0.000 0.405 772 M N -0.346 119.216 119.600 -0.063 0.000 2.346 772 M HA -0.250 4.230 4.480 0.000 0.000 0.263 772 M C 2.170 178.434 176.300 -0.061 0.000 1.064 772 M CA 1.693 56.963 55.300 -0.051 0.000 1.083 772 M CB -0.440 32.142 32.600 -0.030 0.000 1.399 772 M HN 0.374 nan 8.290 nan 0.000 0.435 773 Q N -1.198 118.560 119.800 -0.071 0.000 2.187 773 Q HA -0.059 4.281 4.340 0.000 0.000 0.199 773 Q C 1.210 177.130 176.000 -0.132 0.000 0.957 773 Q CA 0.686 56.449 55.803 -0.065 0.000 0.857 773 Q CB 0.136 28.854 28.738 -0.033 0.000 0.929 773 Q HN 0.439 nan 8.270 nan 0.000 0.453 774 C N 1.835 120.971 119.300 -0.274 0.000 2.842 774 C HA 0.098 4.558 4.460 0.000 0.000 0.472 774 C C 1.989 176.605 174.990 -0.624 0.000 1.272 774 C CA -0.100 58.501 59.018 -0.696 0.000 1.549 774 C CB -1.707 25.416 27.740 -1.029 0.000 1.870 774 C HN 0.350 nan 8.230 nan 0.000 0.613 775 R N 0.762 121.141 120.500 -0.202 0.000 2.119 775 R HA 0.078 4.418 4.340 0.000 0.000 0.222 775 R C 1.100 177.469 176.300 0.115 0.000 1.088 775 R CA 0.560 56.643 56.100 -0.027 0.000 0.984 775 R CB -0.085 30.216 30.300 0.001 0.000 0.884 775 R HN 0.428 nan 8.270 nan 0.000 0.447 776 L N 0.000 121.335 121.223 0.187 0.000 2.949 776 L HA 0.000 4.340 4.340 0.000 0.000 0.249 776 L CA 0.000 54.980 54.840 0.234 0.000 0.813 776 L CB 0.000 42.296 42.059 0.395 0.000 0.961 776 L HN 0.000 nan 8.230 nan 0.000 0.502