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 1jv2_1_A DATA FIRST_RESID 1 DATA SEQUENCE FNLDVDSPAE YSGPEGSYFG FAVDFFVPSA SSRMFLLVGA PKANTTQPGI DATA SEQUENCE VEGGQVLKcD WSSTRRcQPI EFDATGNRDY AKDDPLEFKS HQWFGASVRS DATA SEQUENCE KQDKILAcAP LYHWRTEMKQ EREPVGTcFL QDGTKTVEYA PcRSQDIDAD DATA SEQUENCE GQGFcQGGFS IDFTKADRVL LGGPGSFYWQ GQLISDQVAE IVSKYDPNVY DATA SEQUENCE SIKYNNQLAT RTAQAIFDDS YLGYSVAVGD FNGDGIDDFV SGVPRAARTL DATA SEQUENCE GMVYIYDGKN MSSLYNFTGE QMAAYFGFSV AATDINGDDY ADVFIGAPLF DATA SEQUENCE MDRGSDGKLQ EVGQVSVSLQ RASGDFQTTK LNGFEVFARF GSAIAPLGDL DATA SEQUENCE DQDGFNDIAI AAPYGGEDKK GIVYIFNGRS TGLNAVPSQI LEGQWAARSM DATA SEQUENCE PPSFGYSMKG ATDIDKNGYP DLIVGAFGVD RAILYRARPV ITVNAGLEVY DATA SEQUENCE PSILNQDNKT cSLPGTALKV ScFNVRFcLK ADGKGVLPRK LNFQVELLLD DATA SEQUENCE KLKQKGAIRR ALFLYSRSPS HSKNMTISRG GLMQcEELIA YLRDESEFRD DATA SEQUENCE KLTPITIFME YRLDYRTAAD TTGLQPILNQ FTPANISRQA HILLDcGEDN DATA SEQUENCE VcKPKLEVSV DSDQKKIYIG DDNPLTLIVK AQNQGEGAYE AELIVSIPLQ DATA SEQUENCE ADFIGVVRNN EALARLScAF KTENQTRQVV cDLGNPMKAG TQLLAGLRFS DATA SEQUENCE VHQQSEMDTS VKFDLQIQSS NLFDKVSPVV SHKVDLAVLA AVEIRGVSSP DATA SEQUENCE DHVFLPIPNW EHKENPETEE DVGPVVQHIY ELRNNGPSSF SKAMLHLQWP DATA SEQUENCE YKYNNNTLLY ILHYDIDGPM NcTSDMEINP LRIKISSLXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXDIH TLGcGVAQcL KIVcQVGRLD RGKSAILYVK DATA SEQUENCE SLLWTETFMN KENQNHSYSL KSSASFNVIE FPYKNLPIED ITNSTLVTTN DATA SEQUENCE VTWGIQ 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 F HA 0.000 nan 4.527 nan 0.000 0.279 1 F C 0.000 175.775 175.800 -0.041 0.000 0.967 1 F CA 0.000 57.978 58.000 -0.037 0.000 1.383 1 F CB 0.000 38.958 39.000 -0.071 0.000 1.145 2 N N 2.307 120.516 118.700 -0.818 0.000 2.519 2 N HA 0.675 5.416 4.740 0.002 0.000 0.286 2 N C -1.270 174.024 175.510 -0.360 0.000 1.079 2 N CA -0.242 52.490 53.050 -0.530 0.000 0.878 2 N CB 2.246 40.364 38.487 -0.615 0.000 1.375 2 N HN 0.260 nan 8.380 nan 0.000 0.514 3 L N -0.376 120.734 121.223 -0.188 0.000 2.331 3 L HA 0.623 4.964 4.340 0.002 0.000 0.268 3 L C 0.499 177.342 176.870 -0.045 0.000 1.015 3 L CA -1.143 53.641 54.840 -0.094 0.000 0.807 3 L CB 1.129 43.157 42.059 -0.052 0.000 1.293 3 L HN 0.407 nan 8.230 nan 0.000 0.451 4 D N 0.108 120.532 120.400 0.039 0.000 2.302 4 D HA 0.215 4.856 4.640 0.002 0.000 0.248 4 D C -0.194 176.188 176.300 0.137 0.000 1.094 4 D CA -0.219 53.824 54.000 0.072 0.000 0.897 4 D CB 2.222 43.079 40.800 0.096 0.000 1.200 4 D HN 0.279 nan 8.370 nan 0.000 0.429 5 V N 2.403 122.379 119.914 0.103 0.000 3.392 5 V HA 0.007 4.128 4.120 0.002 0.000 0.294 5 V C 1.252 177.410 176.094 0.107 0.000 1.561 5 V CA -0.302 62.080 62.300 0.138 0.000 1.056 5 V CB 0.655 32.500 31.823 0.037 0.000 0.882 5 V HN 0.561 nan 8.190 nan 0.000 0.440 6 D N 1.139 121.587 120.400 0.079 0.000 2.120 6 D HA 0.021 4.662 4.640 0.002 0.000 0.202 6 D C 0.694 177.027 176.300 0.055 0.000 0.972 6 D CA 1.231 55.263 54.000 0.054 0.000 0.837 6 D CB 0.366 41.191 40.800 0.043 0.000 0.989 6 D HN 0.391 nan 8.370 nan 0.000 0.469 7 S N 1.528 117.268 115.700 0.067 0.000 2.312 7 S HA 0.264 4.735 4.470 0.002 0.000 0.173 7 S C -2.514 172.123 174.600 0.062 0.000 1.488 7 S CA -0.906 57.324 58.200 0.050 0.000 1.239 7 S CB 2.430 65.641 63.200 0.019 0.000 1.215 7 S HN 0.087 nan 8.310 nan 0.000 0.438 8 P HA 0.548 nan 4.420 nan 0.000 0.283 8 P C -0.913 176.338 177.300 -0.082 0.000 1.271 8 P CA -0.698 62.416 63.100 0.023 0.000 0.841 8 P CB 0.997 32.702 31.700 0.007 0.000 1.122 9 A N 1.532 124.256 122.820 -0.160 0.000 2.438 9 A HA 0.104 4.425 4.320 0.002 0.000 0.280 9 A C 0.562 177.852 177.584 -0.490 0.000 1.160 9 A CA -0.088 51.731 52.037 -0.363 0.000 0.821 9 A CB -0.569 18.160 19.000 -0.453 0.000 1.101 9 A HN 0.499 nan 8.150 nan 0.000 0.515 10 E N 3.705 123.687 120.200 -0.363 0.000 1.963 10 E HA 0.198 4.549 4.350 0.002 0.000 0.274 10 E C -1.392 175.072 176.600 -0.227 0.000 1.061 10 E CA 0.024 56.308 56.400 -0.194 0.000 0.847 10 E CB 0.094 29.798 29.700 0.006 0.000 1.083 10 E HN 0.641 nan 8.360 nan 0.000 0.402 11 Y N 1.510 121.836 120.300 0.044 0.000 2.320 11 Y HA 0.171 4.722 4.550 0.002 0.000 0.334 11 Y C 1.015 176.909 175.900 -0.009 0.000 1.055 11 Y CA -0.682 57.458 58.100 0.067 0.000 1.143 11 Y CB 1.456 40.043 38.460 0.211 0.000 1.193 11 Y HN 0.389 nan 8.280 nan 0.000 0.477 12 S N 1.376 116.999 115.700 -0.129 0.000 2.715 12 S HA 0.982 5.453 4.470 0.002 0.000 0.307 12 S C -0.282 173.467 174.600 -1.417 0.000 1.119 12 S CA -0.650 57.210 58.200 -0.566 0.000 0.937 12 S CB 2.185 65.176 63.200 -0.348 0.000 1.150 12 S HN 0.886 nan 8.310 nan 0.000 0.521 13 G N -0.168 107.889 108.800 -1.240 0.000 2.687 13 G HA2 0.711 4.672 3.960 0.002 0.000 0.291 13 G HA3 0.711 4.672 3.960 0.002 0.000 0.291 13 G C -3.328 171.364 174.900 -0.346 0.000 1.420 13 G CA -1.451 43.042 45.100 -1.012 0.000 0.796 13 G HN 0.641 nan 8.290 nan 0.000 0.485 14 P HA 0.171 nan 4.420 nan 0.000 0.272 14 P C -0.078 177.209 177.300 -0.021 0.000 1.223 14 P CA -0.217 62.837 63.100 -0.075 0.000 0.784 14 P CB 0.651 32.322 31.700 -0.048 0.000 0.923 15 E N 0.829 121.019 120.200 -0.017 0.000 2.168 15 E HA 0.242 4.593 4.350 0.002 0.000 0.254 15 E C 0.748 177.370 176.600 0.038 0.000 1.228 15 E CA -0.111 56.298 56.400 0.014 0.000 0.956 15 E CB -1.298 28.406 29.700 0.006 0.000 1.031 15 E HN 0.792 nan 8.360 nan 0.000 0.441 16 G N 3.218 112.073 108.800 0.092 0.000 2.179 16 G HA2 -0.346 3.615 3.960 0.002 0.000 0.220 16 G HA3 -0.346 3.615 3.960 0.002 0.000 0.220 16 G C 0.724 175.641 174.900 0.029 0.000 0.990 16 G CA 0.150 45.315 45.100 0.109 0.000 0.646 16 G HN 0.800 nan 8.290 nan 0.000 0.517 17 S N -0.414 115.321 115.700 0.058 0.000 2.710 17 S HA 0.287 4.758 4.470 0.002 0.000 0.224 17 S C 1.134 175.776 174.600 0.069 0.000 0.948 17 S CA 0.568 58.756 58.200 -0.021 0.000 0.949 17 S CB -0.722 62.491 63.200 0.022 0.000 0.778 17 S HN 1.075 nan 8.310 nan 0.000 0.498 18 Y N -0.132 120.163 120.300 -0.009 0.000 3.515 18 Y HA -0.305 4.246 4.550 0.002 0.000 0.214 18 Y C 0.380 176.324 175.900 0.075 0.000 1.166 18 Y CA -0.188 57.938 58.100 0.043 0.000 1.435 18 Y CB -2.168 36.098 38.460 -0.324 0.000 1.414 18 Y HN 0.592 nan 8.280 nan 0.000 0.608 19 F N 1.748 121.779 119.950 0.135 0.000 2.539 19 F HA 0.268 4.796 4.527 0.002 0.000 0.393 19 F C 1.086 176.939 175.800 0.088 0.000 1.032 19 F CA 1.544 59.577 58.000 0.055 0.000 1.120 19 F CB 0.311 39.321 39.000 0.016 0.000 1.014 19 F HN 0.267 nan 8.300 nan 0.000 0.546 20 G N 4.937 113.470 108.800 -0.445 0.000 2.192 20 G HA2 -0.348 3.613 3.960 0.002 0.000 0.193 20 G HA3 -0.348 3.613 3.960 0.002 0.000 0.193 20 G C 0.655 175.504 174.900 -0.085 0.000 0.999 20 G CA 0.044 44.952 45.100 -0.320 0.000 0.659 20 G HN 0.729 nan 8.290 nan 0.000 0.503 21 F N 1.892 121.701 119.950 -0.235 0.000 2.333 21 F HA 0.455 4.982 4.527 0.001 0.000 0.300 21 F C 1.273 176.968 175.800 -0.174 0.000 1.083 21 F CA 2.008 59.806 58.000 -0.336 0.000 1.395 21 F CB 0.172 38.862 39.000 -0.516 0.000 1.056 21 F HN 0.623 nan 8.300 nan 0.000 0.529 22 A N 0.163 122.940 122.820 -0.072 0.000 2.459 22 A HA 0.618 4.939 4.320 0.002 0.000 0.296 22 A C -1.185 176.288 177.584 -0.185 0.000 1.039 22 A CA -0.087 51.873 52.037 -0.127 0.000 0.698 22 A CB 1.015 19.977 19.000 -0.064 0.000 1.261 22 A HN 0.322 nan 8.150 nan 0.000 0.405 23 V N -1.033 118.769 119.914 -0.186 0.000 3.102 23 V HA 1.007 5.128 4.120 0.002 0.000 0.312 23 V C -0.960 175.022 176.094 -0.188 0.000 1.135 23 V CA -0.641 61.530 62.300 -0.215 0.000 1.022 23 V CB 2.148 33.825 31.823 -0.244 0.000 1.056 23 V HN 0.982 nan 8.190 nan 0.000 0.436 24 D N -0.013 120.255 120.400 -0.220 0.000 2.798 24 D HA 0.359 5.000 4.640 0.002 0.000 0.265 24 D C -2.012 174.191 176.300 -0.162 0.000 1.223 24 D CA -0.347 53.559 54.000 -0.155 0.000 0.743 24 D CB 2.032 42.831 40.800 -0.001 0.000 1.276 24 D HN 0.521 nan 8.370 nan 0.000 0.421 25 F N 1.550 121.556 119.950 0.094 0.000 2.408 25 F HA 0.432 4.961 4.527 0.002 0.000 0.344 25 F C 0.262 176.190 175.800 0.213 0.000 1.112 25 F CA -0.805 57.272 58.000 0.128 0.000 1.096 25 F CB 1.200 40.242 39.000 0.070 0.000 1.129 25 F HN 0.091 nan 8.300 nan 0.000 0.486 26 F N 4.420 124.531 119.950 0.269 0.000 2.404 26 F HA 0.581 5.109 4.527 0.002 0.000 0.354 26 F C -0.649 175.260 175.800 0.182 0.000 1.122 26 F CA -0.798 57.303 58.000 0.168 0.000 1.080 26 F CB 1.137 40.205 39.000 0.112 0.000 1.131 26 F HN 0.178 nan 8.300 nan 0.000 0.471 27 V N 9.151 128.894 119.914 -0.285 0.000 2.384 27 V HA 0.333 4.454 4.120 0.002 0.000 0.257 27 V C -2.289 173.531 176.094 -0.456 0.000 0.969 27 V CA -1.965 60.149 62.300 -0.310 0.000 0.910 27 V CB 0.686 32.425 31.823 -0.139 0.000 1.150 27 V HN 0.602 nan 8.190 nan 0.000 0.481 28 P HA 0.101 nan 4.420 nan 0.000 0.267 28 P C 0.920 178.071 177.300 -0.249 0.000 1.205 28 P CA 0.387 63.175 63.100 -0.521 0.000 0.765 28 P CB 1.431 32.785 31.700 -0.577 0.000 0.828 29 S N 2.359 117.960 115.700 -0.165 0.000 2.489 29 S HA -0.025 4.446 4.470 0.002 0.000 0.228 29 S C 1.699 176.251 174.600 -0.080 0.000 0.995 29 S CA 0.584 58.719 58.200 -0.108 0.000 0.934 29 S CB -0.653 62.495 63.200 -0.086 0.000 0.771 29 S HN 0.512 nan 8.310 nan 0.000 0.522 30 A N 0.302 123.075 122.820 -0.079 0.000 2.238 30 A HA 0.540 4.861 4.320 0.002 0.000 0.208 30 A C 0.985 178.547 177.584 -0.037 0.000 1.177 30 A CA 0.244 52.251 52.037 -0.049 0.000 0.804 30 A CB -0.152 18.826 19.000 -0.036 0.000 0.823 30 A HN 0.463 nan 8.150 nan 0.000 0.482 31 S N -2.177 113.493 115.700 -0.049 0.000 2.607 31 S HA 0.417 4.888 4.470 0.002 0.000 0.273 31 S C 0.914 175.503 174.600 -0.018 0.000 1.148 31 S CA 0.237 58.430 58.200 -0.013 0.000 0.833 31 S CB 1.311 64.528 63.200 0.028 0.000 1.130 31 S HN 0.555 nan 8.310 nan 0.000 0.470 32 S N 1.268 116.973 115.700 0.008 0.000 2.501 32 S HA 0.147 4.619 4.470 0.002 0.000 0.220 32 S C 0.559 175.159 174.600 0.001 0.000 0.997 32 S CA -0.297 57.900 58.200 -0.005 0.000 0.919 32 S CB -0.380 62.820 63.200 0.001 0.000 0.778 32 S HN 0.760 nan 8.310 nan 0.000 0.523 33 R N 1.710 122.241 120.500 0.053 0.000 2.346 33 R HA 0.590 4.931 4.340 0.002 0.000 0.311 33 R C 0.183 176.537 176.300 0.089 0.000 0.983 33 R CA -0.819 55.307 56.100 0.044 0.000 0.880 33 R CB 0.616 30.937 30.300 0.036 0.000 1.100 33 R HN 0.137 nan 8.270 nan 0.000 0.453 34 M N 2.084 121.676 119.600 -0.014 0.000 2.283 34 M HA 0.439 4.920 4.480 0.002 0.000 0.314 34 M C -0.809 175.569 176.300 0.131 0.000 1.153 34 M CA -0.258 55.088 55.300 0.077 0.000 1.084 34 M CB 0.059 32.625 32.600 -0.056 0.000 1.468 34 M HN 0.520 nan 8.290 nan 0.000 0.474 35 F N 0.050 120.097 119.950 0.162 0.000 2.814 35 F HA 0.741 5.269 4.527 0.002 0.000 0.353 35 F C -0.906 175.041 175.800 0.245 0.000 1.177 35 F CA -0.923 57.221 58.000 0.240 0.000 1.036 35 F CB 1.191 40.374 39.000 0.304 0.000 1.455 35 F HN 0.375 nan 8.300 nan 0.000 0.520 36 L N 1.394 122.836 121.223 0.364 0.000 2.385 36 L HA 0.554 4.895 4.340 0.002 0.000 0.273 36 L C -1.410 175.482 176.870 0.038 0.000 0.990 36 L CA -0.159 54.746 54.840 0.108 0.000 0.821 36 L CB 1.693 43.702 42.059 -0.083 0.000 1.279 36 L HN 0.290 nan 8.230 nan 0.000 0.412 37 L N 5.125 126.329 121.223 -0.032 0.000 2.280 37 L HA 0.620 4.961 4.340 0.002 0.000 0.287 37 L C -0.971 175.791 176.870 -0.180 0.000 1.023 37 L CA -0.799 53.991 54.840 -0.083 0.000 0.819 37 L CB 1.594 43.622 42.059 -0.052 0.000 1.212 37 L HN 0.229 nan 8.230 nan 0.000 0.420 38 V N 2.415 122.194 119.914 -0.225 0.000 2.376 38 V HA 0.426 4.547 4.120 0.002 0.000 0.287 38 V C 0.767 176.648 176.094 -0.355 0.000 1.015 38 V CA -0.657 61.415 62.300 -0.379 0.000 0.834 38 V CB 1.511 32.932 31.823 -0.669 0.000 1.001 38 V HN 0.864 nan 8.190 nan 0.000 0.428 39 G N 3.231 111.847 108.800 -0.307 0.000 2.554 39 G HA2 0.476 4.437 3.960 0.002 0.000 0.238 39 G HA3 0.476 4.437 3.960 0.002 0.000 0.238 39 G C 0.221 174.967 174.900 -0.257 0.000 1.259 39 G CA 0.386 45.322 45.100 -0.273 0.000 0.843 39 G HN 1.348 nan 8.290 nan 0.000 0.582 40 A N 3.016 125.697 122.820 -0.231 0.000 3.415 40 A HA 0.560 4.881 4.320 0.002 0.000 0.244 40 A C -2.193 175.239 177.584 -0.252 0.000 0.988 40 A CA -0.814 51.132 52.037 -0.151 0.000 0.991 40 A CB 0.907 19.896 19.000 -0.019 0.000 1.240 40 A HN 0.557 nan 8.150 nan 0.000 0.541 41 P HA 0.053 nan 4.420 nan 0.000 0.270 41 P C -0.134 176.717 177.300 -0.749 0.000 1.227 41 P CA 0.567 63.290 63.100 -0.629 0.000 0.788 41 P CB 0.356 31.463 31.700 -0.989 0.000 0.926 42 K N -2.385 117.558 120.400 -0.762 0.000 3.129 42 K HA -0.140 4.181 4.320 0.002 0.000 0.273 42 K C -0.192 176.206 176.600 -0.337 0.000 1.123 42 K CA 0.686 56.597 56.287 -0.627 0.000 0.800 42 K CB -2.099 29.775 32.500 -1.043 0.000 1.238 42 K HN 0.703 nan 8.250 nan 0.000 0.492 43 A N 1.228 123.911 122.820 -0.227 0.000 2.273 43 A HA 0.478 4.799 4.320 0.002 0.000 0.315 43 A C 0.035 177.568 177.584 -0.086 0.000 1.256 43 A CA -0.748 51.216 52.037 -0.121 0.000 0.851 43 A CB 0.582 19.534 19.000 -0.080 0.000 1.172 43 A HN 0.200 nan 8.150 nan 0.000 0.508 44 N N 1.724 120.383 118.700 -0.069 0.000 2.454 44 N HA 0.286 5.027 4.740 0.002 0.000 0.254 44 N C 0.483 175.971 175.510 -0.038 0.000 1.228 44 N CA 0.909 53.926 53.050 -0.054 0.000 0.900 44 N CB 0.819 39.280 38.487 -0.044 0.000 1.089 44 N HN 0.812 nan 8.380 nan 0.000 0.449 45 T N -3.709 110.824 114.554 -0.034 0.000 2.887 45 T HA 0.425 4.776 4.350 0.002 0.000 0.292 45 T C 0.389 175.076 174.700 -0.022 0.000 1.087 45 T CA -0.901 61.186 62.100 -0.022 0.000 1.009 45 T CB 1.042 69.901 68.868 -0.016 0.000 1.203 45 T HN 0.361 nan 8.240 nan 0.000 0.518 46 T N -0.415 114.129 114.554 -0.017 0.000 3.327 46 T HA 0.269 4.620 4.350 0.002 0.000 0.241 46 T C 0.029 174.720 174.700 -0.016 0.000 0.907 46 T CA -0.568 61.522 62.100 -0.015 0.000 0.931 46 T CB -0.787 68.074 68.868 -0.012 0.000 1.112 46 T HN 0.628 nan 8.240 nan 0.000 0.589 47 Q N 2.856 122.644 119.800 -0.019 0.000 2.290 47 Q HA 0.340 4.681 4.340 0.002 0.000 0.259 47 Q C -2.571 173.421 176.000 -0.013 0.000 0.941 47 Q CA -2.722 53.071 55.803 -0.018 0.000 0.912 47 Q CB 1.399 30.123 28.738 -0.024 0.000 1.244 47 Q HN 0.240 nan 8.270 nan 0.000 0.441 48 P HA -0.133 nan 4.420 nan 0.000 0.260 48 P C 0.645 177.942 177.300 -0.005 0.000 1.185 48 P CA 1.132 64.229 63.100 -0.006 0.000 0.763 48 P CB 0.418 32.116 31.700 -0.002 0.000 0.776 49 G N 3.298 112.094 108.800 -0.007 0.000 2.196 49 G HA2 -0.234 3.727 3.960 0.002 0.000 0.268 49 G HA3 -0.234 3.727 3.960 0.002 0.000 0.268 49 G C 0.190 175.081 174.900 -0.015 0.000 0.975 49 G CA -0.234 44.862 45.100 -0.006 0.000 0.648 49 G HN 0.537 nan 8.290 nan 0.000 0.538 50 I N 1.489 122.045 120.570 -0.023 0.000 2.307 50 I HA 0.393 4.564 4.170 0.002 0.000 0.289 50 I C 0.476 176.547 176.117 -0.077 0.000 1.021 50 I CA -1.109 60.167 61.300 -0.040 0.000 1.224 50 I CB 1.194 39.183 38.000 -0.019 0.000 1.376 50 I HN -0.109 nan 8.210 nan 0.000 0.470 51 V N 6.200 126.026 119.914 -0.145 0.000 2.350 51 V HA 0.290 4.411 4.120 0.002 0.000 0.276 51 V C 0.479 176.397 176.094 -0.293 0.000 1.028 51 V CA -0.673 61.510 62.300 -0.196 0.000 0.860 51 V CB 0.472 32.164 31.823 -0.219 0.000 0.990 51 V HN 0.837 nan 8.190 nan 0.000 0.453 52 E N 2.994 123.098 120.200 -0.160 0.000 2.257 52 E HA -0.187 4.164 4.350 0.002 0.000 0.217 52 E C 1.355 177.895 176.600 -0.099 0.000 1.248 52 E CA 0.478 56.801 56.400 -0.128 0.000 0.691 52 E CB -0.930 28.735 29.700 -0.057 0.000 1.185 52 E HN 1.050 nan 8.360 nan 0.000 0.377 53 G N 0.721 109.487 108.800 -0.057 0.000 2.712 53 G HA2 0.346 4.307 3.960 0.002 0.000 0.212 53 G HA3 0.346 4.307 3.960 0.002 0.000 0.212 53 G C 0.868 175.806 174.900 0.062 0.000 1.142 53 G CA 0.618 45.728 45.100 0.016 0.000 0.789 53 G HN 0.864 nan 8.290 nan 0.000 0.535 54 G N -0.548 108.236 108.800 -0.027 0.000 2.846 54 G HA2 0.125 4.086 3.960 0.002 0.000 0.660 54 G HA3 0.125 4.086 3.960 0.002 0.000 0.660 54 G C -0.326 174.584 174.900 0.016 0.000 1.464 54 G CA 0.132 45.185 45.100 -0.078 0.000 0.891 54 G HN 1.129 nan 8.290 nan 0.000 0.552 55 Q N -2.531 117.210 119.800 -0.098 0.000 2.878 55 Q HA 0.805 5.146 4.340 0.002 0.000 0.341 55 Q C -1.418 174.430 176.000 -0.253 0.000 0.824 55 Q CA -1.081 54.678 55.803 -0.073 0.000 0.811 55 Q CB 2.132 30.877 28.738 0.011 0.000 1.364 55 Q HN 1.286 nan 8.270 nan 0.000 0.514 56 V N 0.983 120.807 119.914 -0.150 0.000 2.668 56 V HA 0.428 4.549 4.120 0.002 0.000 0.304 56 V C -1.427 174.644 176.094 -0.037 0.000 1.071 56 V CA -0.621 61.577 62.300 -0.171 0.000 0.894 56 V CB 1.773 33.458 31.823 -0.231 0.000 1.008 56 V HN 0.562 nan 8.190 nan 0.000 0.425 57 L N 4.159 125.360 121.223 -0.038 0.000 2.329 57 L HA 0.590 4.931 4.340 0.002 0.000 0.279 57 L C -0.059 176.806 176.870 -0.008 0.000 1.014 57 L CA -0.242 54.611 54.840 0.021 0.000 0.814 57 L CB 1.544 43.680 42.059 0.129 0.000 1.257 57 L HN 0.517 nan 8.230 nan 0.000 0.424 58 K N 2.122 122.524 120.400 0.004 0.000 2.234 58 K HA 0.533 4.854 4.320 0.002 0.000 0.277 58 K C -1.408 175.253 176.600 0.101 0.000 1.038 58 K CA -0.397 55.904 56.287 0.024 0.000 0.888 58 K CB 0.679 33.149 32.500 -0.051 0.000 1.091 58 K HN 0.661 nan 8.250 nan 0.000 0.467 59 c N 3.997 122.649 118.600 0.087 0.000 2.303 59 c HA 0.307 4.879 4.570 0.002 0.000 0.326 59 c C -0.782 173.350 174.090 0.070 0.000 1.285 59 c CA -1.126 55.176 56.329 -0.045 0.000 1.675 59 c CB 0.166 42.397 42.510 -0.464 0.000 2.289 59 c HN 0.851 nan 8.230 nan 0.000 0.512 60 D N 0.899 121.338 120.400 0.064 0.000 2.264 60 D HA 0.156 4.798 4.640 0.002 0.000 0.250 60 D C 0.377 176.703 176.300 0.044 0.000 1.113 60 D CA -0.666 53.303 54.000 -0.051 0.000 0.871 60 D CB 0.730 41.494 40.800 -0.060 0.000 1.167 60 D HN 0.688 nan 8.370 nan 0.000 0.447 61 W N 2.928 124.129 121.300 -0.164 0.000 2.388 61 W HA -0.079 4.582 4.660 0.002 0.000 0.294 61 W C 1.016 177.536 176.519 0.001 0.000 1.212 61 W CA 0.898 58.248 57.345 0.009 0.000 1.271 61 W CB -0.231 29.204 29.460 -0.042 0.000 1.126 61 W HN 0.408 nan 8.180 nan 0.000 0.535 62 S N 1.849 117.463 115.700 -0.144 0.000 2.946 62 S HA -0.075 4.396 4.470 0.002 0.000 0.349 62 S C 0.580 175.028 174.600 -0.254 0.000 1.189 62 S CA 0.381 58.426 58.200 -0.258 0.000 1.285 62 S CB -0.430 62.701 63.200 -0.115 0.000 1.010 62 S HN 0.170 nan 8.310 nan 0.000 0.538 63 S N 5.346 120.806 115.700 -0.400 0.000 2.905 63 S HA -0.038 4.433 4.470 0.002 0.000 0.293 63 S C 1.029 175.549 174.600 -0.134 0.000 0.744 63 S CA 0.673 58.711 58.200 -0.271 0.000 2.219 63 S CB -0.785 62.239 63.200 -0.294 0.000 1.241 63 S HN 0.898 nan 8.310 nan 0.000 0.687 64 T N 0.744 115.259 114.554 -0.065 0.000 3.336 64 T HA 0.225 4.576 4.350 0.002 0.000 0.273 64 T C 0.786 175.505 174.700 0.032 0.000 0.932 64 T CA -0.506 61.582 62.100 -0.021 0.000 0.995 64 T CB 0.202 69.063 68.868 -0.012 0.000 1.213 64 T HN 0.472 nan 8.240 nan 0.000 0.502 65 R N 0.473 121.037 120.500 0.107 0.000 3.892 65 R HA -0.124 4.217 4.340 0.002 0.000 0.441 65 R C 0.255 176.638 176.300 0.138 0.000 1.052 65 R CA 0.540 56.778 56.100 0.231 0.000 1.190 65 R CB -1.256 29.154 30.300 0.183 0.000 1.808 65 R HN 0.317 nan 8.270 nan 0.000 0.538 66 R N 1.753 122.299 120.500 0.078 0.000 2.288 66 R HA 0.194 4.535 4.340 0.002 0.000 0.330 66 R C -0.259 176.075 176.300 0.057 0.000 1.069 66 R CA 0.623 56.755 56.100 0.052 0.000 0.941 66 R CB 0.338 30.663 30.300 0.041 0.000 0.998 66 R HN 0.363 nan 8.270 nan 0.000 0.452 67 c N 4.059 122.683 118.600 0.040 0.000 2.660 67 c HA 0.465 5.036 4.570 0.002 0.000 0.336 67 c C -0.825 173.292 174.090 0.045 0.000 1.058 67 c CA -0.944 55.412 56.329 0.044 0.000 1.368 67 c CB 1.189 43.699 42.510 -0.000 0.000 1.884 67 c HN 0.768 nan 8.230 nan 0.000 0.454 68 Q N 2.917 122.743 119.800 0.043 0.000 2.348 68 Q HA 0.574 4.915 4.340 0.002 0.000 0.271 68 Q C -2.218 173.800 176.000 0.030 0.000 1.067 68 Q CA -1.347 54.475 55.803 0.032 0.000 0.839 68 Q CB 2.278 31.026 28.738 0.017 0.000 1.354 68 Q HN 0.530 nan 8.270 nan 0.000 0.447 69 P HA -0.223 nan 4.420 nan 0.000 0.293 69 P C -0.942 176.365 177.300 0.011 0.000 1.779 69 P CA 1.159 64.276 63.100 0.028 0.000 1.479 69 P CB 0.344 32.061 31.700 0.027 0.000 0.528 70 I N 0.132 120.727 120.570 0.041 0.000 2.478 70 I HA 0.114 4.285 4.170 0.002 0.000 0.287 70 I C 0.398 176.512 176.117 -0.005 0.000 1.042 70 I CA -0.596 60.696 61.300 -0.014 0.000 1.067 70 I CB 1.674 39.685 38.000 0.019 0.000 1.233 70 I HN 0.270 nan 8.210 nan 0.000 0.431 71 E N 5.862 125.983 120.200 -0.131 0.000 2.175 71 E HA 0.000 4.351 4.350 0.002 0.000 0.247 71 E C -0.331 176.111 176.600 -0.263 0.000 1.259 71 E CA 0.510 56.827 56.400 -0.138 0.000 0.969 71 E CB 0.321 29.937 29.700 -0.139 0.000 1.051 71 E HN 0.454 nan 8.360 nan 0.000 0.448 72 F N 1.258 121.138 119.950 -0.117 0.000 2.350 72 F HA 0.044 4.572 4.527 0.002 0.000 0.253 72 F C 1.015 176.633 175.800 -0.303 0.000 1.088 72 F CA 0.141 58.012 58.000 -0.215 0.000 1.037 72 F CB 0.445 39.276 39.000 -0.281 0.000 1.107 72 F HN 0.276 nan 8.300 nan 0.000 0.603 73 D N -0.559 119.694 120.400 -0.246 0.000 2.502 73 D HA 0.492 5.133 4.640 0.002 0.000 0.249 73 D C -0.311 175.903 176.300 -0.145 0.000 1.092 73 D CA -0.429 53.437 54.000 -0.224 0.000 0.839 73 D CB 1.924 42.509 40.800 -0.359 0.000 1.264 73 D HN 0.320 nan 8.370 nan 0.000 0.511 74 A N 2.851 125.631 122.820 -0.066 0.000 2.390 74 A HA 0.236 4.557 4.320 0.002 0.000 0.232 74 A C 0.905 178.475 177.584 -0.023 0.000 1.233 74 A CA 0.206 52.218 52.037 -0.042 0.000 0.907 74 A CB -0.318 18.666 19.000 -0.027 0.000 0.967 74 A HN 0.638 nan 8.150 nan 0.000 0.512 75 T N -1.249 113.299 114.554 -0.011 0.000 2.832 75 T HA 0.509 4.860 4.350 0.002 0.000 0.296 75 T C 0.880 175.587 174.700 0.013 0.000 0.968 75 T CA 0.050 62.157 62.100 0.013 0.000 1.107 75 T CB 1.241 70.135 68.868 0.042 0.000 0.916 75 T HN 0.360 nan 8.240 nan 0.000 0.517 76 G N 3.100 111.907 108.800 0.012 0.000 2.441 76 G HA2 0.153 4.114 3.960 0.002 0.000 0.258 76 G HA3 0.153 4.114 3.960 0.002 0.000 0.258 76 G C -0.040 174.875 174.900 0.026 0.000 1.487 76 G CA -0.976 44.132 45.100 0.013 0.000 1.058 76 G HN 0.904 nan 8.290 nan 0.000 0.552 77 N N 0.072 118.779 118.700 0.011 0.000 2.442 77 N HA 0.245 4.986 4.740 0.002 0.000 0.265 77 N C 0.532 176.024 175.510 -0.030 0.000 1.138 77 N CA -0.168 52.873 53.050 -0.015 0.000 0.956 77 N CB 0.932 39.381 38.487 -0.063 0.000 1.067 77 N HN 0.276 nan 8.380 nan 0.000 0.474 78 R N 1.243 121.733 120.500 -0.016 0.000 2.801 78 R HA 0.117 4.458 4.340 0.002 0.000 0.273 78 R C -0.512 175.760 176.300 -0.045 0.000 1.080 78 R CA 0.203 56.302 56.100 -0.001 0.000 1.197 78 R CB 0.473 30.798 30.300 0.041 0.000 1.109 78 R HN 0.538 nan 8.270 nan 0.000 0.535 79 D N 0.006 120.410 120.400 0.006 0.000 2.457 79 D HA 0.067 4.708 4.640 0.002 0.000 0.240 79 D C -0.406 175.945 176.300 0.085 0.000 1.041 79 D CA -0.250 53.757 54.000 0.012 0.000 0.861 79 D CB 1.633 42.438 40.800 0.008 0.000 1.394 79 D HN 0.554 nan 8.370 nan 0.000 0.473 80 Y N 1.000 121.261 120.300 -0.064 0.000 2.498 80 Y HA 0.460 5.011 4.550 0.002 0.000 0.259 80 Y C -0.171 175.716 175.900 -0.022 0.000 1.086 80 Y CA 0.356 58.437 58.100 -0.033 0.000 1.287 80 Y CB 0.687 39.087 38.460 -0.099 0.000 1.146 80 Y HN 0.515 nan 8.280 nan 0.000 0.523 81 A N -0.366 122.459 122.820 0.008 0.000 2.524 81 A HA 0.406 4.727 4.320 0.002 0.000 0.303 81 A C 0.213 177.794 177.584 -0.004 0.000 1.195 81 A CA -0.649 51.352 52.037 -0.059 0.000 0.651 81 A CB 0.478 19.480 19.000 0.003 0.000 1.323 81 A HN -0.121 nan 8.150 nan 0.000 0.479 82 K N 0.728 121.123 120.400 -0.009 0.000 1.972 82 K HA -0.101 4.220 4.320 0.002 0.000 0.227 82 K C -0.287 176.319 176.600 0.009 0.000 1.046 82 K CA 1.769 58.055 56.287 -0.002 0.000 1.013 82 K CB -0.394 32.104 32.500 -0.003 0.000 0.741 82 K HN 0.706 nan 8.250 nan 0.000 0.446 83 D N 1.568 121.979 120.400 0.018 0.000 2.970 83 D HA 0.096 4.737 4.640 0.002 0.000 0.282 83 D C -0.646 175.674 176.300 0.033 0.000 1.291 83 D CA 0.071 54.084 54.000 0.021 0.000 0.967 83 D CB 0.277 41.089 40.800 0.020 0.000 1.017 83 D HN 0.154 nan 8.370 nan 0.000 0.512 84 D N 1.559 121.978 120.400 0.031 0.000 2.362 84 D HA 0.141 4.782 4.640 0.002 0.000 0.228 84 D C -2.879 173.407 176.300 -0.023 0.000 1.326 84 D CA -1.331 52.689 54.000 0.033 0.000 0.927 84 D CB 1.660 42.506 40.800 0.077 0.000 1.501 84 D HN -0.097 nan 8.370 nan 0.000 0.519 85 P HA 0.034 nan 4.420 nan 0.000 0.268 85 P C 0.974 178.016 177.300 -0.429 0.000 1.208 85 P CA -0.495 62.439 63.100 -0.276 0.000 0.777 85 P CB 0.957 32.416 31.700 -0.402 0.000 0.875 86 L N 1.628 122.640 121.223 -0.352 0.000 2.270 86 L HA 0.086 4.427 4.340 0.002 0.000 0.210 86 L C 0.748 177.288 176.870 -0.551 0.000 1.104 86 L CA 1.743 56.355 54.840 -0.381 0.000 0.804 86 L CB -0.353 41.589 42.059 -0.195 0.000 0.937 86 L HN 0.523 nan 8.230 nan 0.000 0.450 87 E N -1.396 118.460 120.200 -0.573 0.000 2.416 87 E HA 0.392 4.743 4.350 0.002 0.000 0.273 87 E C -1.670 174.487 176.600 -0.739 0.000 0.935 87 E CA -0.832 55.274 56.400 -0.489 0.000 0.784 87 E CB 1.476 31.160 29.700 -0.026 0.000 1.301 87 E HN -0.037 nan 8.360 nan 0.000 0.454 88 F N 0.668 120.558 119.950 -0.101 0.000 2.553 88 F HA 0.413 4.941 4.527 0.002 0.000 0.335 88 F C 0.712 176.527 175.800 0.024 0.000 1.148 88 F CA -0.777 57.206 58.000 -0.029 0.000 0.963 88 F CB 1.978 40.957 39.000 -0.036 0.000 1.217 88 F HN 0.420 nan 8.300 nan 0.000 0.441 89 K N 0.404 120.933 120.400 0.216 0.000 2.352 89 K HA 0.092 4.413 4.320 0.002 0.000 0.194 89 K C 0.461 177.155 176.600 0.157 0.000 1.038 89 K CA 0.141 56.564 56.287 0.227 0.000 1.023 89 K CB 0.323 32.927 32.500 0.174 0.000 0.840 89 K HN 0.624 nan 8.250 nan 0.000 0.519 90 S N 1.929 117.685 115.700 0.093 0.000 2.546 90 S HA -0.044 4.427 4.470 0.002 0.000 0.290 90 S C -0.107 174.499 174.600 0.009 0.000 1.290 90 S CA -0.249 57.909 58.200 -0.070 0.000 1.069 90 S CB -0.042 63.078 63.200 -0.133 0.000 0.846 90 S HN 0.360 nan 8.310 nan 0.000 0.495 91 H N 0.639 119.772 119.070 0.106 0.000 2.756 91 H HA -0.164 4.394 4.556 0.002 0.000 0.315 91 H C 1.049 176.530 175.328 0.255 0.000 1.210 91 H CA 1.177 57.306 56.048 0.135 0.000 1.150 91 H CB -2.125 27.722 29.762 0.141 0.000 1.463 91 H HN 1.019 nan 8.280 nan 0.000 0.427 92 Q N -1.698 118.285 119.800 0.305 0.000 2.424 92 Q HA 0.008 4.349 4.340 0.002 0.000 0.204 92 Q C 0.367 176.612 176.000 0.409 0.000 0.933 92 Q CA 0.382 56.394 55.803 0.349 0.000 0.929 92 Q CB 0.270 29.204 28.738 0.327 0.000 1.037 92 Q HN 0.462 nan 8.270 nan 0.000 0.511 93 W N 0.484 121.823 121.300 0.065 0.000 4.949 93 W HA -0.226 4.435 4.660 0.001 0.000 0.380 93 W C -0.646 175.863 176.519 -0.016 0.000 1.446 93 W CA -0.045 57.272 57.345 -0.045 0.000 0.869 93 W CB -1.886 27.518 29.460 -0.094 0.000 2.591 93 W HN 0.392 nan 8.180 nan 0.000 1.398 94 F N 1.701 121.665 119.950 0.023 0.000 2.466 94 F HA 0.496 5.024 4.527 0.002 0.000 0.363 94 F C 1.218 176.946 175.800 -0.119 0.000 1.109 94 F CA 0.681 58.652 58.000 -0.048 0.000 1.161 94 F CB 0.490 39.432 39.000 -0.097 0.000 1.117 94 F HN 0.188 nan 8.300 nan 0.000 0.539 95 G N 3.617 112.066 108.800 -0.585 0.000 2.738 95 G HA2 -0.139 3.823 3.960 0.002 0.000 0.195 95 G HA3 -0.139 3.823 3.960 0.002 0.000 0.195 95 G C 1.133 175.890 174.900 -0.238 0.000 1.001 95 G CA -0.045 44.697 45.100 -0.596 0.000 0.759 95 G HN 1.114 nan 8.290 nan 0.000 0.494 96 A N 0.196 122.974 122.820 -0.069 0.000 2.042 96 A HA 0.329 4.650 4.320 0.002 0.000 0.222 96 A C 1.588 179.211 177.584 0.064 0.000 1.167 96 A CA 2.448 54.564 52.037 0.132 0.000 0.649 96 A CB -0.466 18.607 19.000 0.121 0.000 0.809 96 A HN 1.926 nan 8.150 nan 0.000 0.457 97 S N -1.796 113.855 115.700 -0.082 0.000 2.594 97 S HA 0.641 5.112 4.470 0.002 0.000 0.296 97 S C -1.040 173.472 174.600 -0.146 0.000 1.124 97 S CA -0.665 57.462 58.200 -0.121 0.000 1.011 97 S CB 1.921 65.036 63.200 -0.141 0.000 1.016 97 S HN 0.402 nan 8.310 nan 0.000 0.485 98 V N 3.653 123.492 119.914 -0.126 0.000 2.509 98 V HA 0.595 4.716 4.120 0.002 0.000 0.289 98 V C -0.504 175.572 176.094 -0.029 0.000 1.026 98 V CA -0.512 61.725 62.300 -0.105 0.000 0.872 98 V CB 1.523 33.262 31.823 -0.140 0.000 1.017 98 V HN 0.872 nan 8.190 nan 0.000 0.436 99 R N 2.057 122.576 120.500 0.031 0.000 2.902 99 R HA 0.897 5.238 4.340 0.002 0.000 0.258 99 R C -0.497 176.066 176.300 0.439 0.000 1.071 99 R CA -0.534 55.672 56.100 0.176 0.000 1.024 99 R CB 2.045 32.368 30.300 0.039 0.000 1.184 99 R HN 0.764 nan 8.270 nan 0.000 0.492 100 S N 0.915 116.961 115.700 0.576 0.000 2.582 100 S HA 0.280 4.751 4.470 0.002 0.000 0.287 100 S C -0.668 173.937 174.600 0.009 0.000 1.146 100 S CA -0.740 57.675 58.200 0.358 0.000 0.941 100 S CB 1.384 64.754 63.200 0.283 0.000 1.115 100 S HN 0.500 nan 8.310 nan 0.000 0.458 101 K N 1.979 122.061 120.400 -0.530 0.000 2.916 101 K HA 0.390 4.711 4.320 0.002 0.000 0.183 101 K C 0.092 176.596 176.600 -0.159 0.000 1.138 101 K CA 0.694 56.689 56.287 -0.487 0.000 1.346 101 K CB -0.100 31.955 32.500 -0.742 0.000 1.866 101 K HN 0.825 nan 8.250 nan 0.000 0.503 102 Q N 0.696 120.403 119.800 -0.155 0.000 2.310 102 Q HA 0.292 4.633 4.340 0.002 0.000 0.270 102 Q C -1.005 174.959 176.000 -0.059 0.000 1.025 102 Q CA -0.314 55.425 55.803 -0.106 0.000 0.772 102 Q CB 1.901 30.563 28.738 -0.127 0.000 1.253 102 Q HN 0.651 nan 8.270 nan 0.000 0.450 103 D N 0.816 121.230 120.400 0.024 0.000 2.554 103 D HA -0.151 4.490 4.640 0.002 0.000 0.178 103 D C -0.686 175.729 176.300 0.190 0.000 1.054 103 D CA 1.547 55.631 54.000 0.139 0.000 1.052 103 D CB -0.015 40.791 40.800 0.011 0.000 1.112 103 D HN 0.630 nan 8.370 nan 0.000 0.448 104 K N 0.680 121.137 120.400 0.095 0.000 2.274 104 K HA 0.598 4.919 4.320 0.002 0.000 0.262 104 K C 0.102 176.751 176.600 0.081 0.000 0.961 104 K CA -0.493 55.809 56.287 0.026 0.000 0.833 104 K CB 1.820 34.237 32.500 -0.139 0.000 1.102 104 K HN 0.250 nan 8.250 nan 0.000 0.436 105 I N 1.378 122.057 120.570 0.182 0.000 2.569 105 I HA 0.451 4.623 4.170 0.002 0.000 0.290 105 I C -1.738 174.603 176.117 0.374 0.000 1.088 105 I CA -1.266 60.197 61.300 0.271 0.000 1.047 105 I CB 1.531 39.580 38.000 0.080 0.000 1.237 105 I HN 0.385 nan 8.210 nan 0.000 0.421 106 L N 6.834 128.283 121.223 0.376 0.000 2.298 106 L HA 0.886 5.227 4.340 0.002 0.000 0.284 106 L C -0.446 176.461 176.870 0.061 0.000 1.013 106 L CA -0.154 54.811 54.840 0.207 0.000 0.824 106 L CB 1.174 43.246 42.059 0.022 0.000 1.221 106 L HN 0.851 nan 8.230 nan 0.000 0.418 107 A N 4.530 127.357 122.820 0.012 0.000 2.350 107 A HA 0.831 5.152 4.320 0.002 0.000 0.324 107 A C -0.739 176.903 177.584 0.096 0.000 1.118 107 A CA -0.486 51.455 52.037 -0.161 0.000 0.783 107 A CB 1.011 19.640 19.000 -0.619 0.000 1.236 107 A HN 0.800 nan 8.150 nan 0.000 0.457 108 c N 0.336 118.948 118.600 0.020 0.000 2.771 108 c HA 0.918 5.489 4.570 0.002 0.000 0.333 108 c C 0.555 174.815 174.090 0.283 0.000 1.267 108 c CA -0.128 56.300 56.329 0.165 0.000 1.721 108 c CB 1.659 44.169 42.510 -0.000 0.000 2.222 108 c HN 1.155 nan 8.230 nan 0.000 0.485 109 A N 1.131 124.117 122.820 0.277 0.000 2.893 109 A HA 0.597 4.918 4.320 0.002 0.000 0.333 109 A C -2.271 175.413 177.584 0.168 0.000 1.152 109 A CA -0.822 51.391 52.037 0.293 0.000 0.782 109 A CB 0.137 19.354 19.000 0.362 0.000 1.108 109 A HN 0.626 nan 8.150 nan 0.000 0.469 110 P HA -0.063 nan 4.420 nan 0.000 0.229 110 P C 0.539 177.865 177.300 0.044 0.000 1.150 110 P CA 1.040 64.185 63.100 0.074 0.000 0.765 110 P CB 0.167 31.927 31.700 0.101 0.000 0.783 111 L N -3.164 118.111 121.223 0.087 0.000 3.014 111 L HA 0.225 4.566 4.340 0.002 0.000 0.263 111 L C 0.257 177.115 176.870 -0.020 0.000 1.207 111 L CA -0.828 54.016 54.840 0.007 0.000 1.017 111 L CB -0.143 41.984 42.059 0.113 0.000 1.360 111 L HN -0.063 nan 8.230 nan 0.000 0.560 112 Y N 1.219 121.480 120.300 -0.065 0.000 2.605 112 Y HA 0.118 4.669 4.550 0.002 0.000 0.336 112 Y C 0.038 175.889 175.900 -0.081 0.000 1.111 112 Y CA -0.215 57.886 58.100 0.002 0.000 1.422 112 Y CB -0.050 38.411 38.460 0.002 0.000 1.193 112 Y HN 0.159 nan 8.280 nan 0.000 0.526 113 H N 5.317 124.229 119.070 -0.264 0.000 2.473 113 H HA 0.272 4.829 4.556 0.002 0.000 0.327 113 H C -1.396 173.813 175.328 -0.199 0.000 1.105 113 H CA -0.159 55.784 56.048 -0.174 0.000 1.280 113 H CB 0.658 30.388 29.762 -0.054 0.000 1.450 113 H HN 0.818 nan 8.280 nan 0.000 0.492 114 W N 3.996 125.181 121.300 -0.193 0.000 2.736 114 W HA 0.406 5.067 4.660 0.002 0.000 0.335 114 W C -0.727 175.795 176.519 0.006 0.000 1.059 114 W CA -1.157 56.070 57.345 -0.197 0.000 1.226 114 W CB 1.065 30.377 29.460 -0.246 0.000 1.416 114 W HN 0.450 nan 8.180 nan 0.000 0.505 115 R N 3.356 123.618 120.500 -0.398 0.000 2.410 115 R HA 0.369 4.710 4.340 0.002 0.000 0.288 115 R C 0.376 175.962 176.300 -1.190 0.000 1.051 115 R CA -0.032 55.778 56.100 -0.483 0.000 1.021 115 R CB 0.928 30.952 30.300 -0.461 0.000 1.032 115 R HN 0.644 nan 8.270 nan 0.000 0.481 116 T N 0.241 114.281 114.554 -0.858 0.000 2.813 116 T HA 0.073 4.424 4.350 0.002 0.000 0.297 116 T C 1.040 175.189 174.700 -0.918 0.000 1.036 116 T CA -0.658 60.821 62.100 -1.034 0.000 1.044 116 T CB 0.987 69.609 68.868 -0.411 0.000 0.993 116 T HN 0.592 nan 8.240 nan 0.000 0.535 117 E N 0.399 120.221 120.200 -0.630 0.000 2.208 117 E HA -0.041 4.310 4.350 0.002 0.000 0.193 117 E C 1.502 177.969 176.600 -0.222 0.000 0.988 117 E CA 0.804 57.046 56.400 -0.262 0.000 0.828 117 E CB -0.233 29.520 29.700 0.090 0.000 0.763 117 E HN 0.611 nan 8.360 nan 0.000 0.478 118 M N 0.592 120.075 119.600 -0.196 0.000 3.121 118 M HA -0.016 4.465 4.480 0.002 0.000 0.266 118 M C 1.260 177.455 176.300 -0.176 0.000 1.295 118 M CA 1.184 56.413 55.300 -0.119 0.000 1.055 118 M CB -0.358 32.204 32.600 -0.065 0.000 0.940 118 M HN -0.273 nan 8.290 nan 0.000 0.591 119 K N 0.307 120.620 120.400 -0.145 0.000 2.098 119 K HA 0.155 4.476 4.320 0.002 0.000 0.244 119 K C -0.456 176.026 176.600 -0.197 0.000 1.014 119 K CA -0.594 55.613 56.287 -0.134 0.000 0.917 119 K CB 0.806 33.266 32.500 -0.066 0.000 1.072 119 K HN 0.191 nan 8.250 nan 0.000 0.477 120 Q N 2.067 121.776 119.800 -0.153 0.000 2.286 120 Q HA 0.003 4.344 4.340 0.002 0.000 0.290 120 Q C -1.269 174.664 176.000 -0.113 0.000 1.049 120 Q CA 1.076 56.793 55.803 -0.144 0.000 0.923 120 Q CB 0.631 29.324 28.738 -0.075 0.000 1.183 120 Q HN 0.545 nan 8.270 nan 0.000 0.383 121 E N 2.236 122.366 120.200 -0.117 0.000 2.439 121 E HA 0.484 4.835 4.350 0.002 0.000 0.279 121 E C -1.285 175.281 176.600 -0.057 0.000 1.077 121 E CA -0.666 55.681 56.400 -0.089 0.000 0.849 121 E CB 1.268 30.897 29.700 -0.117 0.000 1.408 121 E HN 0.590 nan 8.360 nan 0.000 0.457 122 R N 1.234 121.680 120.500 -0.091 0.000 2.583 122 R HA 0.182 4.523 4.340 0.002 0.000 0.329 122 R C -1.047 175.244 176.300 -0.016 0.000 1.166 122 R CA -0.185 55.827 56.100 -0.145 0.000 1.264 122 R CB 0.865 30.859 30.300 -0.509 0.000 1.324 122 R HN 0.400 nan 8.270 nan 0.000 0.684 123 E N 3.091 123.240 120.200 -0.085 0.000 2.344 123 E HA 0.063 4.414 4.350 0.002 0.000 0.270 123 E C -2.097 174.368 176.600 -0.226 0.000 1.021 123 E CA -1.573 54.609 56.400 -0.364 0.000 0.887 123 E CB 0.699 30.072 29.700 -0.544 0.000 0.997 123 E HN 0.031 nan 8.360 nan 0.000 0.429 124 P HA -0.011 nan 4.420 nan 0.000 0.251 124 P C 0.526 177.650 177.300 -0.294 0.000 1.718 124 P CA 0.011 62.835 63.100 -0.461 0.000 1.119 124 P CB 0.478 31.946 31.700 -0.387 0.000 1.762 125 V N 0.476 120.261 119.914 -0.216 0.000 3.125 125 V HA 0.390 4.511 4.120 0.002 0.000 0.249 125 V C 0.928 176.957 176.094 -0.109 0.000 1.113 125 V CA 0.730 62.924 62.300 -0.177 0.000 1.106 125 V CB -1.464 30.244 31.823 -0.192 0.000 0.768 125 V HN 0.628 nan 8.190 nan 0.000 0.468 126 G N 0.921 109.753 108.800 0.054 0.000 2.785 126 G HA2 0.110 4.071 3.960 0.002 0.000 0.685 126 G HA3 0.110 4.071 3.960 0.002 0.000 0.685 126 G C -0.250 174.589 174.900 -0.103 0.000 1.480 126 G CA 0.092 45.239 45.100 0.077 0.000 0.915 126 G HN 1.645 nan 8.290 nan 0.000 0.576 127 T N -2.026 112.361 114.554 -0.278 0.000 2.864 127 T HA 0.744 5.095 4.350 0.002 0.000 0.299 127 T C -0.131 174.340 174.700 -0.381 0.000 1.166 127 T CA -0.207 61.571 62.100 -0.537 0.000 1.007 127 T CB 2.024 70.287 68.868 -1.010 0.000 1.219 127 T HN 1.428 nan 8.240 nan 0.000 0.506 128 c N 0.406 118.736 118.600 -0.450 0.000 2.822 128 c HA 0.917 5.488 4.570 0.002 0.000 0.341 128 c C -1.373 172.494 174.090 -0.372 0.000 1.301 128 c CA -0.702 55.510 56.329 -0.195 0.000 1.706 128 c CB 1.007 43.457 42.510 -0.101 0.000 2.178 128 c HN 0.882 nan 8.230 nan 0.000 0.481 129 F N 1.459 121.392 119.950 -0.028 0.000 2.573 129 F HA 0.541 5.069 4.527 0.002 0.000 0.316 129 F C -0.538 175.392 175.800 0.217 0.000 1.148 129 F CA -0.539 57.486 58.000 0.042 0.000 0.940 129 F CB 1.382 40.398 39.000 0.027 0.000 1.214 129 F HN 0.197 nan 8.300 nan 0.000 0.448 130 L N 4.490 125.898 121.223 0.309 0.000 2.294 130 L HA 0.508 4.849 4.340 0.002 0.000 0.283 130 L C -0.365 176.637 176.870 0.221 0.000 1.015 130 L CA -0.348 54.655 54.840 0.271 0.000 0.831 130 L CB 1.118 43.253 42.059 0.126 0.000 1.217 130 L HN 0.751 nan 8.230 nan 0.000 0.420 131 Q N 2.986 122.926 119.800 0.233 0.000 2.212 131 Q HA 0.364 4.705 4.340 0.002 0.000 0.238 131 Q C -0.911 175.087 176.000 -0.004 0.000 0.955 131 Q CA -0.303 55.486 55.803 -0.023 0.000 0.906 131 Q CB 1.190 29.703 28.738 -0.375 0.000 1.215 131 Q HN 0.661 nan 8.270 nan 0.000 0.478 132 D N 1.369 121.743 120.400 -0.044 0.000 3.285 132 D HA 0.195 4.836 4.640 0.002 0.000 0.273 132 D C 0.394 176.681 176.300 -0.021 0.000 1.295 132 D CA 0.788 54.785 54.000 -0.007 0.000 0.762 132 D CB 0.026 40.831 40.800 0.008 0.000 1.379 132 D HN 0.848 nan 8.370 nan 0.000 0.612 133 G N 1.409 110.183 108.800 -0.043 0.000 5.260 133 G HA2 -0.484 3.477 3.960 0.002 0.000 0.276 133 G HA3 -0.484 3.477 3.960 0.002 0.000 0.276 133 G C 1.184 176.043 174.900 -0.068 0.000 1.357 133 G CA 1.853 46.928 45.100 -0.042 0.000 1.008 133 G HN 0.562 nan 8.290 nan 0.000 0.777 134 T N -1.377 113.151 114.554 -0.044 0.000 3.031 134 T HA 0.398 4.749 4.350 0.002 0.000 0.236 134 T C 1.114 175.792 174.700 -0.037 0.000 1.005 134 T CA 1.345 63.422 62.100 -0.039 0.000 1.230 134 T CB 0.070 68.928 68.868 -0.018 0.000 0.913 134 T HN 0.387 nan 8.240 nan 0.000 0.419 135 K N 3.133 123.523 120.400 -0.017 0.000 2.383 135 K HA 0.327 4.648 4.320 0.002 0.000 0.286 135 K C -0.879 175.713 176.600 -0.014 0.000 1.051 135 K CA 0.257 56.546 56.287 0.003 0.000 0.974 135 K CB 0.341 32.857 32.500 0.027 0.000 0.968 135 K HN 0.368 nan 8.250 nan 0.000 0.475 136 T N 3.382 117.931 114.554 -0.009 0.000 2.791 136 T HA 0.377 4.728 4.350 0.002 0.000 0.288 136 T C -0.619 174.053 174.700 -0.046 0.000 0.999 136 T CA -0.711 61.380 62.100 -0.015 0.000 0.952 136 T CB 0.896 69.738 68.868 -0.043 0.000 0.938 136 T HN 0.362 nan 8.240 nan 0.000 0.444 137 V N 1.346 121.176 119.914 -0.138 0.000 2.680 137 V HA 0.690 4.811 4.120 0.002 0.000 0.309 137 V C -0.249 175.569 176.094 -0.459 0.000 1.052 137 V CA -1.232 60.718 62.300 -0.583 0.000 0.908 137 V CB 1.913 33.415 31.823 -0.535 0.000 1.001 137 V HN 0.846 nan 8.190 nan 0.000 0.431 138 E N 2.715 122.477 120.200 -0.731 0.000 2.289 138 E HA 0.312 4.663 4.350 0.002 0.000 0.278 138 E C -1.729 174.666 176.600 -0.342 0.000 1.032 138 E CA -0.603 55.414 56.400 -0.637 0.000 0.854 138 E CB 0.981 30.324 29.700 -0.596 0.000 1.046 138 E HN 0.808 nan 8.360 nan 0.000 0.409 139 Y N 3.938 123.942 120.300 -0.493 0.000 2.686 139 Y HA 0.517 5.068 4.550 0.002 0.000 0.331 139 Y C -1.148 174.557 175.900 -0.324 0.000 0.996 139 Y CA -1.442 56.474 58.100 -0.307 0.000 1.293 139 Y CB 0.908 39.210 38.460 -0.263 0.000 1.092 139 Y HN 0.513 nan 8.280 nan 0.000 0.524 140 A N 8.608 131.176 122.820 -0.420 0.000 3.047 140 A HA 0.418 4.739 4.320 0.002 0.000 0.337 140 A C -1.932 175.377 177.584 -0.459 0.000 1.143 140 A CA -1.341 50.381 52.037 -0.524 0.000 0.905 140 A CB -0.089 18.653 19.000 -0.429 0.000 1.088 140 A HN 0.569 nan 8.150 nan 0.000 0.488 141 P HA -0.080 nan 4.420 nan 0.000 0.234 141 P C 0.781 177.924 177.300 -0.262 0.000 1.162 141 P CA 0.875 63.742 63.100 -0.389 0.000 0.759 141 P CB 0.026 31.404 31.700 -0.537 0.000 0.813 142 c N -1.532 116.878 118.600 -0.316 0.000 3.392 142 c HA 0.275 4.846 4.570 0.002 0.000 0.301 142 c C 2.056 175.964 174.090 -0.303 0.000 1.354 142 c CA -0.326 55.840 56.329 -0.270 0.000 1.732 142 c CB -1.117 41.222 42.510 -0.285 0.000 2.269 142 c HN 0.176 nan 8.230 nan 0.000 0.673 143 R N 2.073 122.342 120.500 -0.385 0.000 2.526 143 R HA 0.012 4.353 4.340 0.002 0.000 0.223 143 R C 0.951 176.981 176.300 -0.450 0.000 1.250 143 R CA 0.050 55.771 56.100 -0.632 0.000 1.227 143 R CB -0.180 29.690 30.300 -0.717 0.000 1.109 143 R HN 0.709 nan 8.270 nan 0.000 0.499 144 S N -0.822 114.742 115.700 -0.228 0.000 2.572 144 S HA -0.107 4.364 4.470 0.002 0.000 0.262 144 S C 1.122 175.719 174.600 -0.005 0.000 1.375 144 S CA -0.414 57.736 58.200 -0.083 0.000 0.996 144 S CB 0.961 64.138 63.200 -0.038 0.000 0.892 144 S HN 0.224 nan 8.310 nan 0.000 0.562 145 Q N 0.988 120.825 119.800 0.063 0.000 2.084 145 Q HA -0.032 4.309 4.340 0.002 0.000 0.202 145 Q C 0.270 176.354 176.000 0.140 0.000 0.978 145 Q CA 1.891 57.776 55.803 0.137 0.000 0.844 145 Q CB -0.730 28.067 28.738 0.098 0.000 0.898 145 Q HN 0.987 nan 8.270 nan 0.000 0.426 146 D N -0.561 119.889 120.400 0.083 0.000 2.455 146 D HA 0.254 4.895 4.640 0.002 0.000 0.241 146 D C 0.033 176.385 176.300 0.086 0.000 1.138 146 D CA -0.160 53.883 54.000 0.072 0.000 0.877 146 D CB 0.476 41.303 40.800 0.046 0.000 1.187 146 D HN 0.154 nan 8.370 nan 0.000 0.451 147 I N -1.534 119.087 120.570 0.086 0.000 3.690 147 I HA 0.667 4.838 4.170 0.002 0.000 0.280 147 I C -0.474 175.677 176.117 0.057 0.000 1.145 147 I CA -1.058 60.295 61.300 0.088 0.000 1.144 147 I CB 0.136 38.210 38.000 0.123 0.000 1.378 147 I HN 0.472 nan 8.210 nan 0.000 0.478 148 D N -0.755 119.687 120.400 0.069 0.000 10.579 148 D HA -0.148 4.493 4.640 0.002 0.000 0.361 148 D C 0.654 177.061 176.300 0.178 0.000 3.052 148 D CA 0.977 55.064 54.000 0.145 0.000 2.480 148 D CB -0.739 40.130 40.800 0.115 0.000 1.162 148 D HN 0.980 nan 8.370 nan 0.000 0.997 149 A N 0.640 123.635 122.820 0.291 0.000 1.969 149 A HA -0.152 4.169 4.320 0.002 0.000 0.218 149 A C 1.567 178.918 177.584 -0.389 0.000 1.169 149 A CA 2.138 54.242 52.037 0.112 0.000 0.635 149 A CB -0.389 18.655 19.000 0.072 0.000 0.810 149 A HN 0.674 nan 8.150 nan 0.000 0.445 150 D N -0.757 119.360 120.400 -0.472 0.000 2.392 150 D HA 0.074 4.715 4.640 0.002 0.000 0.228 150 D C 0.985 177.125 176.300 -0.267 0.000 1.003 150 D CA 1.093 54.669 54.000 -0.707 0.000 0.917 150 D CB -0.063 40.577 40.800 -0.267 0.000 0.890 150 D HN 0.362 nan 8.370 nan 0.000 0.532 151 G N 0.039 108.767 108.800 -0.120 0.000 3.392 151 G HA2 0.189 4.150 3.960 0.002 0.000 0.185 151 G HA3 0.189 4.150 3.960 0.002 0.000 0.185 151 G C 0.277 175.182 174.900 0.009 0.000 1.206 151 G CA -0.398 44.718 45.100 0.026 0.000 0.776 151 G HN 0.108 nan 8.290 nan 0.000 0.697 152 Q N 0.358 120.136 119.800 -0.036 0.000 2.201 152 Q HA 0.236 4.577 4.340 0.002 0.000 0.236 152 Q C 1.796 177.695 176.000 -0.170 0.000 0.857 152 Q CA 0.094 55.806 55.803 -0.152 0.000 1.025 152 Q CB 1.136 29.786 28.738 -0.146 0.000 1.124 152 Q HN 0.542 nan 8.270 nan 0.000 0.473 153 G N 0.083 108.812 108.800 -0.119 0.000 2.422 153 G HA2 -0.171 3.790 3.960 0.002 0.000 0.218 153 G HA3 -0.171 3.790 3.960 0.002 0.000 0.218 153 G C 0.635 175.249 174.900 -0.476 0.000 1.140 153 G CA 0.526 45.494 45.100 -0.220 0.000 0.775 153 G HN 0.286 nan 8.290 nan 0.000 0.545 154 F N -0.514 119.257 119.950 -0.299 0.000 2.735 154 F HA 0.279 4.807 4.527 0.002 0.000 0.304 154 F C 2.041 177.531 175.800 -0.517 0.000 1.119 154 F CA -1.254 56.527 58.000 -0.366 0.000 1.280 154 F CB -0.292 38.434 39.000 -0.456 0.000 0.994 154 F HN 0.148 nan 8.300 nan 0.000 0.520 155 c N 0.840 119.246 118.600 -0.324 0.000 2.375 155 c HA -0.277 4.294 4.570 0.002 0.000 0.274 155 c C 1.899 175.812 174.090 -0.294 0.000 1.190 155 c CA 1.878 57.993 56.329 -0.356 0.000 1.775 155 c CB -0.934 41.386 42.510 -0.317 0.000 2.067 155 c HN 0.720 nan 8.230 nan 0.000 0.463 156 Q N -0.111 119.559 119.800 -0.217 0.000 2.453 156 Q HA -0.176 4.165 4.340 0.002 0.000 0.294 156 Q C 0.443 176.369 176.000 -0.123 0.000 1.295 156 Q CA 0.198 55.916 55.803 -0.142 0.000 0.853 156 Q CB -1.933 26.732 28.738 -0.120 0.000 1.193 156 Q HN 0.932 nan 8.270 nan 0.000 0.461 157 G N -1.025 107.670 108.800 -0.174 0.000 2.614 157 G HA2 0.363 4.324 3.960 0.002 0.000 0.239 157 G HA3 0.363 4.324 3.960 0.002 0.000 0.239 157 G C 1.107 175.930 174.900 -0.127 0.000 1.240 157 G CA 0.416 45.408 45.100 -0.180 0.000 0.842 157 G HN 0.877 nan 8.290 nan 0.000 0.584 158 G N 0.039 108.770 108.800 -0.115 0.000 2.175 158 G HA2 -0.296 3.665 3.960 0.002 0.000 0.244 158 G HA3 -0.296 3.665 3.960 0.002 0.000 0.244 158 G C 1.058 175.934 174.900 -0.040 0.000 0.982 158 G CA 0.842 45.885 45.100 -0.095 0.000 0.641 158 G HN 0.835 nan 8.290 nan 0.000 0.527 159 F N 2.649 122.493 119.950 -0.177 0.000 2.202 159 F HA 0.215 4.743 4.527 0.002 0.000 0.301 159 F C 1.484 177.169 175.800 -0.192 0.000 1.082 159 F CA 2.212 60.092 58.000 -0.200 0.000 1.313 159 F CB 0.156 39.002 39.000 -0.258 0.000 1.024 159 F HN 0.683 nan 8.300 nan 0.000 0.495 160 S N -0.070 115.589 115.700 -0.069 0.000 2.533 160 S HA 0.650 5.121 4.470 0.002 0.000 0.271 160 S C -0.856 173.675 174.600 -0.115 0.000 1.143 160 S CA -0.782 57.340 58.200 -0.130 0.000 0.891 160 S CB 1.671 64.821 63.200 -0.083 0.000 1.105 160 S HN 0.259 nan 8.310 nan 0.000 0.468 161 I N -1.034 119.453 120.570 -0.138 0.000 3.174 161 I HA 0.947 5.118 4.170 0.002 0.000 0.313 161 I C -1.577 174.438 176.117 -0.171 0.000 1.155 161 I CA -0.796 60.400 61.300 -0.174 0.000 0.977 161 I CB 2.356 40.227 38.000 -0.217 0.000 1.248 161 I HN 0.665 nan 8.210 nan 0.000 0.453 162 D N 1.250 121.508 120.400 -0.237 0.000 2.721 162 D HA 0.422 5.063 4.640 0.002 0.000 0.221 162 D C -1.829 174.367 176.300 -0.175 0.000 1.208 162 D CA -0.264 53.644 54.000 -0.153 0.000 0.755 162 D CB 1.695 42.490 40.800 -0.007 0.000 1.732 162 D HN 0.420 nan 8.370 nan 0.000 0.490 163 F N 0.935 120.916 119.950 0.052 0.000 2.379 163 F HA 0.490 5.018 4.527 0.002 0.000 0.332 163 F C 1.531 177.378 175.800 0.080 0.000 1.096 163 F CA -0.293 57.740 58.000 0.055 0.000 1.105 163 F CB 1.690 40.717 39.000 0.044 0.000 1.189 163 F HN 0.148 nan 8.300 nan 0.000 0.515 164 T N -1.566 113.163 114.554 0.291 0.000 2.936 164 T HA 0.324 4.675 4.350 0.002 0.000 0.282 164 T C 1.034 175.822 174.700 0.148 0.000 1.003 164 T CA -0.904 61.319 62.100 0.206 0.000 1.005 164 T CB 1.647 70.639 68.868 0.207 0.000 1.097 164 T HN 0.635 nan 8.240 nan 0.000 0.532 165 K N 0.524 120.978 120.400 0.091 0.000 2.015 165 K HA -0.129 4.192 4.320 0.002 0.000 0.216 165 K C 1.892 178.514 176.600 0.037 0.000 1.052 165 K CA 1.759 58.074 56.287 0.047 0.000 0.937 165 K CB -0.702 31.811 32.500 0.021 0.000 0.719 165 K HN 0.777 nan 8.250 nan 0.000 0.446 166 A N 1.532 124.379 122.820 0.045 0.000 2.503 166 A HA 0.080 4.401 4.320 0.002 0.000 0.263 166 A C -0.974 176.642 177.584 0.053 0.000 1.360 166 A CA 0.040 52.098 52.037 0.036 0.000 0.969 166 A CB -0.464 18.555 19.000 0.032 0.000 1.000 166 A HN 0.533 nan 8.150 nan 0.000 0.530 167 D N -1.029 119.415 120.400 0.074 0.000 4.543 167 D HA -0.163 4.478 4.640 0.002 0.000 0.236 167 D C 0.377 176.756 176.300 0.132 0.000 1.047 167 D CA 1.108 55.175 54.000 0.112 0.000 1.254 167 D CB -0.268 40.558 40.800 0.044 0.000 0.762 167 D HN 0.567 nan 8.370 nan 0.000 0.381 168 R N 2.384 122.995 120.500 0.185 0.000 2.478 168 R HA 0.180 4.521 4.340 0.002 0.000 0.357 168 R C -0.520 175.817 176.300 0.063 0.000 0.771 168 R CA -0.411 55.759 56.100 0.116 0.000 1.002 168 R CB 0.735 31.124 30.300 0.148 0.000 1.595 168 R HN 0.350 nan 8.270 nan 0.000 0.562 169 V N 2.261 122.202 119.914 0.045 0.000 3.285 169 V HA -0.245 3.876 4.120 0.002 0.000 0.275 169 V C -0.134 175.863 176.094 -0.162 0.000 1.447 169 V CA 1.238 63.445 62.300 -0.155 0.000 1.450 169 V CB -0.191 31.463 31.823 -0.282 0.000 0.790 169 V HN 0.361 nan 8.190 nan 0.000 0.386 170 L N 7.456 128.578 121.223 -0.167 0.000 2.357 170 L HA 0.782 5.123 4.340 0.002 0.000 0.273 170 L C -0.132 176.611 176.870 -0.212 0.000 1.080 170 L CA -0.608 54.079 54.840 -0.256 0.000 0.803 170 L CB 1.533 43.511 42.059 -0.135 0.000 1.174 170 L HN 0.852 nan 8.230 nan 0.000 0.443 171 L N 3.048 124.134 121.223 -0.228 0.000 2.518 171 L HA 0.806 5.147 4.340 0.002 0.000 0.257 171 L C -1.068 175.702 176.870 -0.168 0.000 0.980 171 L CA -0.391 54.343 54.840 -0.178 0.000 0.837 171 L CB 2.274 44.233 42.059 -0.167 0.000 1.410 171 L HN 0.619 nan 8.230 nan 0.000 0.410 172 G N 0.422 109.149 108.800 -0.122 0.000 2.519 172 G HA2 0.660 4.621 3.960 0.002 0.000 0.307 172 G HA3 0.660 4.621 3.960 0.002 0.000 0.307 172 G C -1.039 173.792 174.900 -0.116 0.000 1.266 172 G CA -0.483 44.557 45.100 -0.099 0.000 0.970 172 G HN 0.916 nan 8.290 nan 0.000 0.481 173 G N 1.185 109.882 108.800 -0.172 0.000 2.954 173 G HA2 0.563 4.524 3.960 0.002 0.000 0.290 173 G HA3 0.563 4.524 3.960 0.002 0.000 0.290 173 G C -1.396 173.338 174.900 -0.277 0.000 1.574 173 G CA -1.116 43.840 45.100 -0.240 0.000 1.088 173 G HN 0.324 nan 8.290 nan 0.000 0.557 174 P HA -0.065 nan 4.420 nan 0.000 0.223 174 P C 1.433 178.651 177.300 -0.136 0.000 1.144 174 P CA 1.235 64.172 63.100 -0.273 0.000 0.783 174 P CB 0.467 31.763 31.700 -0.675 0.000 0.771 175 G N -0.914 107.681 108.800 -0.341 0.000 3.126 175 G HA2 0.054 4.015 3.960 0.002 0.000 0.224 175 G HA3 0.054 4.015 3.960 0.002 0.000 0.224 175 G C 0.427 174.882 174.900 -0.740 0.000 1.142 175 G CA 0.004 44.665 45.100 -0.732 0.000 0.759 175 G HN 0.161 nan 8.290 nan 0.000 0.550 176 S N 0.426 115.785 115.700 -0.569 0.000 2.568 176 S HA 0.450 4.921 4.470 0.002 0.000 0.282 176 S C 0.515 174.698 174.600 -0.694 0.000 1.338 176 S CA -0.231 57.514 58.200 -0.757 0.000 1.045 176 S CB 0.167 62.723 63.200 -1.073 0.000 0.873 176 S HN 0.411 nan 8.310 nan 0.000 0.516 177 F N -0.937 118.878 119.950 -0.226 0.000 2.182 177 F HA -0.310 4.218 4.527 0.002 0.000 0.318 177 F C -0.033 175.602 175.800 -0.276 0.000 0.130 177 F CA 0.264 58.132 58.000 -0.220 0.000 0.911 177 F CB -0.766 38.195 39.000 -0.066 0.000 4.132 177 F HN 0.489 nan 8.300 nan 0.000 0.139 178 Y N 0.970 121.398 120.300 0.213 0.000 2.735 178 Y HA 0.216 4.767 4.550 0.002 0.000 0.354 178 Y C -0.523 175.548 175.900 0.285 0.000 1.288 178 Y CA -0.313 57.883 58.100 0.160 0.000 1.836 178 Y CB -0.908 37.692 38.460 0.234 0.000 1.920 178 Y HN 0.435 nan 8.280 nan 0.000 0.438 179 W N -1.002 120.454 121.300 0.261 0.000 3.520 179 W HA -0.362 4.300 4.660 0.002 0.000 0.305 179 W C 1.365 178.058 176.519 0.289 0.000 1.150 179 W CA 0.767 58.274 57.345 0.269 0.000 0.656 179 W CB -1.765 27.914 29.460 0.365 0.000 2.198 179 W HN 0.438 nan 8.180 nan 0.000 1.417 180 Q N 0.323 120.340 119.800 0.361 0.000 2.079 180 Q HA 0.215 4.556 4.340 0.002 0.000 0.200 180 Q C 1.709 177.868 176.000 0.266 0.000 0.974 180 Q CA 1.402 57.420 55.803 0.358 0.000 0.840 180 Q CB -0.259 28.725 28.738 0.411 0.000 0.898 180 Q HN 0.419 nan 8.270 nan 0.000 0.430 181 G N 1.198 110.039 108.800 0.069 0.000 2.655 181 G HA2 -0.126 3.835 3.960 0.002 0.000 0.680 181 G HA3 -0.126 3.835 3.960 0.002 0.000 0.680 181 G C -1.194 173.606 174.900 -0.166 0.000 1.302 181 G CA -0.255 44.807 45.100 -0.063 0.000 0.872 181 G HN 0.371 nan 8.290 nan 0.000 0.540 182 Q N -1.675 118.011 119.800 -0.189 0.000 2.666 182 Q HA 0.655 4.996 4.340 0.002 0.000 0.276 182 Q C -1.633 174.266 176.000 -0.168 0.000 0.952 182 Q CA -1.230 54.467 55.803 -0.177 0.000 0.850 182 Q CB 1.071 29.592 28.738 -0.362 0.000 1.512 182 Q HN 0.925 nan 8.270 nan 0.000 0.395 183 L N 2.225 123.339 121.223 -0.182 0.000 2.325 183 L HA 0.701 5.042 4.340 0.002 0.000 0.278 183 L C -0.530 176.176 176.870 -0.272 0.000 1.023 183 L CA -1.074 53.626 54.840 -0.233 0.000 0.811 183 L CB 1.474 43.361 42.059 -0.287 0.000 1.249 183 L HN 0.626 nan 8.230 nan 0.000 0.431 184 I N 1.654 122.053 120.570 -0.286 0.000 2.512 184 I HA 0.217 4.388 4.170 0.002 0.000 0.287 184 I C -0.565 175.375 176.117 -0.296 0.000 1.069 184 I CA -0.161 60.989 61.300 -0.251 0.000 1.056 184 I CB 2.207 40.096 38.000 -0.184 0.000 1.229 184 I HN 0.478 nan 8.210 nan 0.000 0.429 185 S N 5.130 120.628 115.700 -0.336 0.000 2.498 185 S HA 0.488 4.959 4.470 0.002 0.000 0.317 185 S C -1.204 173.301 174.600 -0.157 0.000 1.090 185 S CA -0.534 57.468 58.200 -0.331 0.000 1.089 185 S CB 0.948 63.791 63.200 -0.595 0.000 0.997 185 S HN 0.512 nan 8.310 nan 0.000 0.470 186 D N 3.149 123.457 120.400 -0.153 0.000 2.646 186 D HA 0.264 4.905 4.640 0.002 0.000 0.245 186 D C -0.574 175.619 176.300 -0.178 0.000 1.099 186 D CA -0.371 53.512 54.000 -0.196 0.000 0.849 186 D CB 1.921 42.481 40.800 -0.399 0.000 1.448 186 D HN 0.622 nan 8.370 nan 0.000 0.489 187 Q N 0.886 120.623 119.800 -0.106 0.000 2.361 187 Q HA 0.096 4.437 4.340 0.002 0.000 0.276 187 Q C 1.359 177.300 176.000 -0.098 0.000 1.022 187 Q CA -0.375 55.396 55.803 -0.053 0.000 0.898 187 Q CB 1.486 30.220 28.738 -0.007 0.000 1.246 187 Q HN 0.249 nan 8.270 nan 0.000 0.410 188 V N 2.063 121.954 119.914 -0.039 0.000 2.223 188 V HA -0.261 3.860 4.120 0.002 0.000 0.244 188 V C 1.439 177.509 176.094 -0.039 0.000 1.045 188 V CA 2.284 64.559 62.300 -0.041 0.000 1.000 188 V CB -0.726 31.118 31.823 0.034 0.000 0.635 188 V HN 0.948 nan 8.190 nan 0.000 0.445 189 A N -0.868 121.948 122.820 -0.006 0.000 2.305 189 A HA 0.083 4.404 4.320 0.002 0.000 0.236 189 A C 1.646 179.245 177.584 0.025 0.000 1.392 189 A CA 0.900 52.943 52.037 0.010 0.000 1.205 189 A CB -0.524 18.483 19.000 0.013 0.000 0.881 189 A HN 0.587 nan 8.150 nan 0.000 0.558 190 E N -0.927 119.286 120.200 0.022 0.000 2.475 190 E HA 0.230 4.581 4.350 0.002 0.000 0.205 190 E C 1.512 178.209 176.600 0.161 0.000 0.822 190 E CA 0.177 56.626 56.400 0.082 0.000 1.240 190 E CB -0.025 29.713 29.700 0.063 0.000 1.222 190 E HN 0.500 nan 8.360 nan 0.000 0.581 191 I N 0.396 120.966 120.570 0.000 0.000 2.286 191 I HA -0.209 3.962 4.170 0.002 0.000 0.248 191 I C 1.803 177.978 176.117 0.096 0.000 1.115 191 I CA 0.786 62.052 61.300 -0.056 0.000 1.392 191 I CB -0.060 37.663 38.000 -0.462 0.000 1.065 191 I HN 0.025 nan 8.210 nan 0.000 0.418 192 V N 0.281 120.225 119.914 0.051 0.000 2.273 192 V HA -0.148 3.973 4.120 0.002 0.000 0.242 192 V C 1.857 178.028 176.094 0.130 0.000 1.035 192 V CA 1.659 64.007 62.300 0.081 0.000 1.013 192 V CB -0.661 31.189 31.823 0.045 0.000 0.652 192 V HN 0.543 nan 8.190 nan 0.000 0.452 193 S N -0.015 115.742 115.700 0.093 0.000 3.305 193 S HA 0.116 4.587 4.470 0.002 0.000 0.248 193 S C 0.698 175.344 174.600 0.075 0.000 1.288 193 S CA 0.527 58.773 58.200 0.076 0.000 1.249 193 S CB -0.370 62.859 63.200 0.049 0.000 1.116 193 S HN 0.611 nan 8.310 nan 0.000 0.465 194 K N -0.283 120.180 120.400 0.106 0.000 2.582 194 K HA 0.123 4.444 4.320 0.002 0.000 0.191 194 K C -0.617 176.015 176.600 0.053 0.000 1.593 194 K CA -0.470 55.838 56.287 0.036 0.000 1.040 194 K CB 0.264 32.760 32.500 -0.007 0.000 1.374 194 K HN 0.537 nan 8.250 nan 0.000 0.608 195 Y N 2.174 122.482 120.300 0.013 0.000 2.496 195 Y HA 0.127 4.678 4.550 0.002 0.000 0.334 195 Y C -0.742 175.154 175.900 -0.007 0.000 1.080 195 Y CA 0.122 58.233 58.100 0.018 0.000 1.355 195 Y CB 0.601 39.091 38.460 0.050 0.000 1.193 195 Y HN 0.005 nan 8.280 nan 0.000 0.523 196 D N 9.444 129.536 120.400 -0.513 0.000 2.469 196 D HA 0.254 4.895 4.640 0.002 0.000 0.251 196 D C -1.933 173.969 176.300 -0.662 0.000 1.173 196 D CA -2.614 51.071 54.000 -0.526 0.000 0.882 196 D CB 1.643 42.288 40.800 -0.259 0.000 1.129 196 D HN 0.328 nan 8.370 nan 0.000 0.549 197 P HA -0.120 nan 4.420 nan 0.000 0.227 197 P C -0.051 177.163 177.300 -0.142 0.000 1.145 197 P CA 0.652 63.506 63.100 -0.409 0.000 0.769 197 P CB 0.328 31.888 31.700 -0.233 0.000 0.769 198 N N -0.330 118.255 118.700 -0.191 0.000 2.321 198 N HA 0.172 4.913 4.740 0.002 0.000 0.242 198 N C -0.398 174.948 175.510 -0.272 0.000 1.141 198 N CA 0.002 52.947 53.050 -0.175 0.000 0.864 198 N CB 1.550 39.946 38.487 -0.151 0.000 1.100 198 N HN 0.057 nan 8.380 nan 0.000 0.510 199 V N 0.960 120.730 119.914 -0.240 0.000 2.851 199 V HA 0.281 4.402 4.120 0.002 0.000 0.307 199 V C -1.146 174.921 176.094 -0.044 0.000 1.129 199 V CA -0.585 61.551 62.300 -0.273 0.000 0.932 199 V CB 1.688 33.409 31.823 -0.169 0.000 1.024 199 V HN 0.053 nan 8.190 nan 0.000 0.426 200 Y N 4.105 124.438 120.300 0.055 0.000 2.583 200 Y HA 0.322 4.873 4.550 0.002 0.000 0.294 200 Y C 1.600 177.479 175.900 -0.034 0.000 1.170 200 Y CA 0.207 58.336 58.100 0.047 0.000 1.265 200 Y CB -0.125 38.456 38.460 0.202 0.000 1.119 200 Y HN 0.759 nan 8.280 nan 0.000 0.522 201 S N -0.912 114.837 115.700 0.082 0.000 3.597 201 S HA 0.283 4.754 4.470 0.002 0.000 0.206 201 S C 0.226 174.805 174.600 -0.036 0.000 0.948 201 S CA 0.087 58.294 58.200 0.013 0.000 0.863 201 S CB 0.258 63.467 63.200 0.016 0.000 1.015 201 S HN 0.094 nan 8.310 nan 0.000 0.616 202 I N 2.214 122.721 120.570 -0.106 0.000 7.815 202 I HA -0.140 4.031 4.170 0.002 0.000 0.126 202 I C -1.402 174.495 176.117 -0.365 0.000 1.845 202 I CA -0.132 61.000 61.300 -0.281 0.000 2.040 202 I CB -0.788 36.975 38.000 -0.395 0.000 3.716 202 I HN 0.314 nan 8.210 nan 0.000 0.170 203 K N 6.660 126.913 120.400 -0.245 0.000 2.379 203 K HA 0.418 4.739 4.320 0.002 0.000 0.284 203 K C -0.670 175.792 176.600 -0.229 0.000 1.044 203 K CA 0.120 56.323 56.287 -0.141 0.000 0.974 203 K CB 0.309 32.767 32.500 -0.070 0.000 0.962 203 K HN 0.211 nan 8.250 nan 0.000 0.474 204 Y N 1.669 121.981 120.300 0.020 0.000 2.330 204 Y HA 0.156 4.707 4.550 0.002 0.000 0.336 204 Y C 1.353 177.259 175.900 0.009 0.000 1.036 204 Y CA -0.272 57.837 58.100 0.016 0.000 1.125 204 Y CB 1.300 39.775 38.460 0.025 0.000 1.194 204 Y HN 0.692 nan 8.280 nan 0.000 0.469 205 N N 1.594 120.388 118.700 0.156 0.000 2.003 205 N HA -0.215 4.526 4.740 0.002 0.000 0.195 205 N C -0.180 175.381 175.510 0.084 0.000 1.083 205 N CA 1.130 54.234 53.050 0.090 0.000 0.875 205 N CB -0.112 38.416 38.487 0.069 0.000 1.067 205 N HN 0.569 nan 8.380 nan 0.000 0.428 206 N N 1.959 120.705 118.700 0.077 0.000 3.303 206 N HA -0.010 4.731 4.740 0.002 0.000 0.304 206 N C -0.965 174.579 175.510 0.056 0.000 1.302 206 N CA 0.157 53.242 53.050 0.059 0.000 1.213 206 N CB 0.441 38.958 38.487 0.049 0.000 1.481 206 N HN 0.421 nan 8.380 nan 0.000 0.546 207 Q N 1.249 121.089 119.800 0.067 0.000 2.256 207 Q HA 0.357 4.698 4.340 0.002 0.000 0.254 207 Q C -0.948 175.071 176.000 0.032 0.000 0.916 207 Q CA -0.416 55.415 55.803 0.046 0.000 0.932 207 Q CB 0.918 29.707 28.738 0.085 0.000 1.207 207 Q HN 0.364 nan 8.270 nan 0.000 0.426 208 L N 3.054 124.280 121.223 0.006 0.000 2.322 208 L HA 0.859 5.200 4.340 0.002 0.000 0.281 208 L C -0.739 176.094 176.870 -0.062 0.000 1.014 208 L CA -0.623 54.222 54.840 0.009 0.000 0.815 208 L CB 1.791 43.896 42.059 0.076 0.000 1.247 208 L HN 0.797 nan 8.230 nan 0.000 0.421 209 A N 1.198 123.988 122.820 -0.050 0.000 2.589 209 A HA 0.670 4.991 4.320 0.002 0.000 0.296 209 A C -0.444 177.099 177.584 -0.069 0.000 1.062 209 A CA -0.549 51.437 52.037 -0.083 0.000 0.686 209 A CB 1.742 20.716 19.000 -0.044 0.000 1.282 209 A HN 0.615 nan 8.150 nan 0.000 0.404 210 T N -0.157 114.340 114.554 -0.095 0.000 2.913 210 T HA 0.669 5.020 4.350 0.002 0.000 0.287 210 T C 0.267 175.026 174.700 0.100 0.000 1.008 210 T CA -0.358 61.706 62.100 -0.059 0.000 1.067 210 T CB 0.694 69.476 68.868 -0.144 0.000 0.996 210 T HN 0.711 nan 8.240 nan 0.000 0.513 211 R N 0.426 120.953 120.500 0.045 0.000 2.553 211 R HA 0.488 4.829 4.340 0.002 0.000 0.263 211 R C 0.232 176.414 176.300 -0.197 0.000 1.066 211 R CA -0.743 55.328 56.100 -0.049 0.000 1.135 211 R CB 0.572 30.808 30.300 -0.107 0.000 1.148 211 R HN 0.679 nan 8.270 nan 0.000 0.558 212 T N 1.386 115.471 114.554 -0.782 0.000 2.888 212 T HA 0.242 4.593 4.350 0.002 0.000 0.301 212 T C 0.128 174.602 174.700 -0.376 0.000 1.001 212 T CA -0.138 61.295 62.100 -1.112 0.000 1.147 212 T CB 0.990 69.219 68.868 -1.065 0.000 0.931 212 T HN 0.616 nan 8.240 nan 0.000 0.541 213 A N 3.726 126.442 122.820 -0.174 0.000 2.378 213 A HA 0.610 4.931 4.320 0.002 0.000 0.293 213 A C 0.244 177.821 177.584 -0.013 0.000 1.250 213 A CA -0.754 51.178 52.037 -0.174 0.000 0.915 213 A CB 0.363 19.137 19.000 -0.376 0.000 1.402 213 A HN 0.754 nan 8.150 nan 0.000 0.502 214 Q N -1.212 118.648 119.800 0.099 0.000 2.443 214 Q HA 0.478 4.819 4.340 0.002 0.000 0.232 214 Q C 1.321 177.536 176.000 0.358 0.000 1.026 214 Q CA 0.373 56.332 55.803 0.260 0.000 0.924 214 Q CB 0.557 29.486 28.738 0.319 0.000 1.256 214 Q HN 0.803 nan 8.270 nan 0.000 0.519 215 A N 1.151 124.110 122.820 0.232 0.000 1.903 215 A HA -0.251 4.070 4.320 0.002 0.000 0.219 215 A C 1.870 179.552 177.584 0.164 0.000 1.191 215 A CA 1.967 54.115 52.037 0.185 0.000 0.638 215 A CB -0.799 18.263 19.000 0.103 0.000 0.823 215 A HN 0.806 nan 8.150 nan 0.000 0.451 216 I N -1.410 119.223 120.570 0.105 0.000 2.502 216 I HA -0.219 3.952 4.170 0.002 0.000 0.258 216 I C 1.381 177.442 176.117 -0.094 0.000 1.172 216 I CA 1.184 62.458 61.300 -0.042 0.000 1.430 216 I CB -0.327 37.580 38.000 -0.155 0.000 1.086 216 I HN 0.314 nan 8.210 nan 0.000 0.440 217 F N 0.444 120.454 119.950 0.100 0.000 2.804 217 F HA 0.056 4.584 4.527 0.002 0.000 0.303 217 F C 0.984 176.881 175.800 0.162 0.000 1.154 217 F CA -0.313 57.767 58.000 0.134 0.000 1.401 217 F CB -0.691 38.407 39.000 0.163 0.000 1.106 217 F HN -0.014 nan 8.300 nan 0.000 0.568 218 D N 0.573 121.138 120.400 0.275 0.000 2.357 218 D HA -0.021 4.620 4.640 0.002 0.000 0.242 218 D C 0.372 176.791 176.300 0.199 0.000 1.153 218 D CA 0.330 54.501 54.000 0.286 0.000 0.918 218 D CB 0.298 41.249 40.800 0.252 0.000 1.181 218 D HN 0.115 nan 8.370 nan 0.000 0.435 219 D N 0.431 120.992 120.400 0.269 0.000 2.697 219 D HA -0.141 4.500 4.640 0.002 0.000 0.238 219 D C 0.129 176.353 176.300 -0.126 0.000 1.152 219 D CA 0.479 54.514 54.000 0.059 0.000 0.666 219 D CB -1.140 39.609 40.800 -0.085 0.000 1.037 219 D HN 0.169 nan 8.370 nan 0.000 0.423 220 S N -1.634 114.109 115.700 0.072 0.000 2.527 220 S HA 0.053 4.524 4.470 0.002 0.000 0.227 220 S C 0.727 175.400 174.600 0.122 0.000 1.059 220 S CA -0.246 57.989 58.200 0.059 0.000 0.919 220 S CB 0.426 63.758 63.200 0.219 0.000 0.805 220 S HN 0.561 nan 8.310 nan 0.000 0.500 221 Y N 0.772 121.169 120.300 0.161 0.000 3.568 221 Y HA -0.170 4.381 4.550 0.002 0.000 0.220 221 Y C 0.019 175.987 175.900 0.112 0.000 1.319 221 Y CA -0.801 57.386 58.100 0.146 0.000 1.629 221 Y CB -1.572 36.995 38.460 0.178 0.000 1.515 221 Y HN 0.252 nan 8.280 nan 0.000 0.613 222 L N 1.412 122.787 121.223 0.254 0.000 2.485 222 L HA 0.426 4.767 4.340 0.002 0.000 0.275 222 L C 1.169 178.116 176.870 0.127 0.000 1.207 222 L CA 1.727 56.683 54.840 0.194 0.000 0.855 222 L CB 0.954 43.169 42.059 0.259 0.000 1.114 222 L HN 0.510 nan 8.230 nan 0.000 0.485 223 G N 3.235 112.113 108.800 0.130 0.000 2.141 223 G HA2 -0.384 3.577 3.960 0.002 0.000 0.242 223 G HA3 -0.384 3.577 3.960 0.002 0.000 0.242 223 G C 0.638 175.620 174.900 0.137 0.000 0.982 223 G CA 0.643 45.793 45.100 0.083 0.000 0.662 223 G HN 0.885 nan 8.290 nan 0.000 0.527 224 Y N 1.713 122.065 120.300 0.086 0.000 2.242 224 Y HA 0.227 4.778 4.550 0.002 0.000 0.291 224 Y C 1.674 177.701 175.900 0.212 0.000 1.137 224 Y CA 2.282 60.508 58.100 0.212 0.000 1.181 224 Y CB 0.266 38.825 38.460 0.165 0.000 0.989 224 Y HN 0.794 nan 8.280 nan 0.000 0.527 225 S N -0.808 115.031 115.700 0.231 0.000 2.546 225 S HA 0.632 5.103 4.470 0.002 0.000 0.274 225 S C -1.518 173.106 174.600 0.039 0.000 1.121 225 S CA -0.696 57.538 58.200 0.057 0.000 0.887 225 S CB 1.842 65.049 63.200 0.012 0.000 1.094 225 S HN 0.062 nan 8.310 nan 0.000 0.474 226 V N 0.693 120.609 119.914 0.003 0.000 2.932 226 V HA 0.910 5.031 4.120 0.002 0.000 0.307 226 V C -0.851 175.269 176.094 0.043 0.000 1.147 226 V CA 0.138 62.460 62.300 0.036 0.000 0.951 226 V CB 1.721 33.565 31.823 0.035 0.000 1.031 226 V HN 1.746 nan 8.190 nan 0.000 0.426 227 A N 4.298 127.175 122.820 0.096 0.000 2.566 227 A HA 0.949 5.271 4.320 0.002 0.000 0.292 227 A C -1.649 176.066 177.584 0.218 0.000 1.112 227 A CA -0.498 51.614 52.037 0.126 0.000 0.707 227 A CB 2.232 21.298 19.000 0.110 0.000 1.302 227 A HN 1.550 nan 8.150 nan 0.000 0.409 228 V N 0.192 120.245 119.914 0.231 0.000 2.709 228 V HA 0.891 5.012 4.120 0.002 0.000 0.308 228 V C 0.072 176.308 176.094 0.238 0.000 1.062 228 V CA 0.799 63.270 62.300 0.284 0.000 0.901 228 V CB 1.823 33.813 31.823 0.279 0.000 1.003 228 V HN 2.010 nan 8.190 nan 0.000 0.425 229 G N 3.478 112.427 108.800 0.248 0.000 2.559 229 G HA2 0.419 4.380 3.960 0.002 0.000 0.291 229 G HA3 0.419 4.380 3.960 0.002 0.000 0.291 229 G C -2.003 172.723 174.900 -0.290 0.000 1.424 229 G CA -0.627 44.453 45.100 -0.033 0.000 0.786 229 G HN 0.640 nan 8.290 nan 0.000 0.485 230 D N -0.349 119.781 120.400 -0.449 0.000 2.339 230 D HA 0.515 5.156 4.640 0.002 0.000 0.241 230 D C 0.024 175.996 176.300 -0.547 0.000 1.183 230 D CA -0.392 53.396 54.000 -0.354 0.000 0.859 230 D CB 0.483 41.166 40.800 -0.194 0.000 1.067 230 D HN 0.125 nan 8.370 nan 0.000 0.484 231 F N 1.733 121.776 119.950 0.155 0.000 2.706 231 F HA 0.254 4.782 4.527 0.002 0.000 0.313 231 F C 0.867 176.807 175.800 0.233 0.000 1.096 231 F CA -0.597 57.569 58.000 0.275 0.000 1.219 231 F CB 0.337 39.573 39.000 0.393 0.000 1.051 231 F HN 0.248 nan 8.300 nan 0.000 0.568 232 N N 0.458 119.284 118.700 0.209 0.000 2.461 232 N HA 0.383 5.124 4.740 0.002 0.000 0.284 232 N C 0.494 176.052 175.510 0.081 0.000 1.049 232 N CA 0.805 53.936 53.050 0.134 0.000 0.889 232 N CB 1.550 40.062 38.487 0.041 0.000 1.365 232 N HN 0.344 nan 8.380 nan 0.000 0.499 233 G N 3.733 112.593 108.800 0.099 0.000 2.627 233 G HA2 -0.332 3.629 3.960 0.002 0.000 0.312 233 G HA3 -0.332 3.629 3.960 0.002 0.000 0.312 233 G C -0.293 174.622 174.900 0.024 0.000 1.299 233 G CA 0.755 45.892 45.100 0.062 0.000 0.989 233 G HN 0.709 nan 8.290 nan 0.000 0.547 234 D N -1.268 119.132 120.400 -0.001 0.000 2.449 234 D HA 0.633 5.274 4.640 0.002 0.000 0.250 234 D C 0.806 177.088 176.300 -0.030 0.000 1.050 234 D CA 1.559 55.541 54.000 -0.030 0.000 1.024 234 D CB 1.237 42.018 40.800 -0.032 0.000 1.218 234 D HN 1.827 nan 8.370 nan 0.000 0.566 235 G N -0.235 108.540 108.800 -0.041 0.000 2.516 235 G HA2 -0.154 3.807 3.960 0.002 0.000 0.220 235 G HA3 -0.154 3.807 3.960 0.002 0.000 0.220 235 G C -0.529 174.348 174.900 -0.040 0.000 1.165 235 G CA -0.245 44.835 45.100 -0.034 0.000 1.013 235 G HN 0.614 nan 8.290 nan 0.000 0.590 236 I N 2.364 122.914 120.570 -0.034 0.000 2.938 236 I HA 0.366 4.537 4.170 0.002 0.000 0.285 236 I C 0.643 176.723 176.117 -0.061 0.000 1.182 236 I CA -0.120 61.159 61.300 -0.035 0.000 1.388 236 I CB 0.162 38.146 38.000 -0.026 0.000 1.390 236 I HN 0.526 nan 8.210 nan 0.000 0.600 237 D N 2.101 122.471 120.400 -0.049 0.000 2.360 237 D HA 0.330 4.971 4.640 0.002 0.000 0.242 237 D C -0.920 175.290 176.300 -0.151 0.000 1.184 237 D CA 0.072 54.041 54.000 -0.052 0.000 0.930 237 D CB 0.384 41.200 40.800 0.027 0.000 1.161 237 D HN 0.460 nan 8.370 nan 0.000 0.447 238 D N -0.788 119.565 120.400 -0.079 0.000 2.374 238 D HA 0.329 4.970 4.640 0.002 0.000 0.239 238 D C -0.700 175.567 176.300 -0.054 0.000 0.991 238 D CA -0.601 53.263 54.000 -0.226 0.000 0.960 238 D CB 0.727 41.579 40.800 0.088 0.000 1.284 238 D HN 0.249 nan 8.370 nan 0.000 0.512 239 F N 0.408 120.516 119.950 0.262 0.000 2.413 239 F HA 0.370 4.898 4.527 0.002 0.000 0.359 239 F C 0.258 176.228 175.800 0.282 0.000 1.122 239 F CA -0.801 57.350 58.000 0.252 0.000 1.160 239 F CB 0.632 39.761 39.000 0.215 0.000 1.146 239 F HN -0.213 nan 8.300 nan 0.000 0.514 240 V N 3.192 123.341 119.914 0.391 0.000 2.370 240 V HA 0.443 4.564 4.120 0.002 0.000 0.283 240 V C -0.272 175.943 176.094 0.202 0.000 1.023 240 V CA -0.336 62.097 62.300 0.223 0.000 0.857 240 V CB 1.640 33.536 31.823 0.121 0.000 0.985 240 V HN 0.776 nan 8.190 nan 0.000 0.443 241 S N 3.567 119.384 115.700 0.196 0.000 2.547 241 S HA 0.743 5.214 4.470 0.002 0.000 0.281 241 S C -0.132 174.497 174.600 0.048 0.000 1.118 241 S CA -0.224 58.066 58.200 0.150 0.000 0.947 241 S CB 1.680 65.024 63.200 0.240 0.000 1.053 241 S HN 1.028 nan 8.310 nan 0.000 0.482 242 G N 2.046 110.844 108.800 -0.003 0.000 2.325 242 G HA2 0.530 4.491 3.960 0.002 0.000 0.298 242 G HA3 0.530 4.491 3.960 0.002 0.000 0.298 242 G C -0.676 174.193 174.900 -0.052 0.000 1.134 242 G CA -0.480 44.565 45.100 -0.091 0.000 0.876 242 G HN 0.828 nan 8.290 nan 0.000 0.452 243 V N 4.986 124.810 119.914 -0.151 0.000 2.220 243 V HA 0.211 4.332 4.120 0.002 0.000 0.265 243 V C -1.037 174.965 176.094 -0.153 0.000 1.078 243 V CA -1.401 60.829 62.300 -0.116 0.000 0.872 243 V CB 1.307 32.992 31.823 -0.230 0.000 1.121 243 V HN 0.696 nan 8.190 nan 0.000 0.460 244 P HA -0.154 nan 4.420 nan 0.000 0.220 244 P C 0.936 177.973 177.300 -0.439 0.000 1.144 244 P CA 1.207 63.981 63.100 -0.544 0.000 0.800 244 P CB 0.397 31.269 31.700 -1.381 0.000 0.772 245 R N -0.959 119.358 120.500 -0.305 0.000 2.432 245 R HA 0.384 4.725 4.340 0.002 0.000 0.260 245 R C 0.974 177.208 176.300 -0.110 0.000 0.935 245 R CA -0.355 55.607 56.100 -0.230 0.000 1.080 245 R CB 0.347 30.438 30.300 -0.349 0.000 1.155 245 R HN 0.108 nan 8.270 nan 0.000 0.531 246 A N 1.384 124.169 122.820 -0.059 0.000 2.455 246 A HA 0.420 4.741 4.320 0.002 0.000 0.244 246 A C 1.141 178.723 177.584 -0.003 0.000 1.099 246 A CA 0.505 52.550 52.037 0.014 0.000 0.786 246 A CB -0.036 18.975 19.000 0.019 0.000 1.051 246 A HN 0.445 nan 8.150 nan 0.000 0.508 247 A N 0.229 123.052 122.820 0.005 0.000 5.382 247 A HA -0.215 4.106 4.320 0.002 0.000 0.307 247 A C 0.582 178.134 177.584 -0.053 0.000 1.937 247 A CA 2.094 54.112 52.037 -0.032 0.000 0.715 247 A CB -1.214 17.775 19.000 -0.019 0.000 1.293 247 A HN 1.364 nan 8.150 nan 0.000 0.374 248 R N 0.109 120.582 120.500 -0.045 0.000 3.057 248 R HA 0.547 4.888 4.340 0.002 0.000 0.291 248 R C 0.480 176.759 176.300 -0.034 0.000 1.394 248 R CA 0.887 56.960 56.100 -0.046 0.000 1.630 248 R CB 0.045 30.319 30.300 -0.043 0.000 1.268 248 R HN 1.246 nan 8.270 nan 0.000 0.621 249 T N -1.423 113.106 114.554 -0.041 0.000 6.885 249 T HA -0.232 4.119 4.350 0.002 0.000 0.286 249 T C 1.061 175.760 174.700 -0.002 0.000 2.119 249 T CA 1.241 63.325 62.100 -0.027 0.000 3.358 249 T CB -1.433 67.432 68.868 -0.005 0.000 1.764 249 T HN 0.389 nan 8.240 nan 0.000 1.202 250 L N 0.831 122.048 121.223 -0.011 0.000 2.056 250 L HA 0.261 4.602 4.340 0.002 0.000 0.207 250 L C 1.669 178.552 176.870 0.020 0.000 1.078 250 L CA 1.371 56.206 54.840 -0.008 0.000 0.749 250 L CB -0.725 41.310 42.059 -0.041 0.000 0.901 250 L HN 0.849 nan 8.230 nan 0.000 0.433 251 G N -0.117 108.699 108.800 0.027 0.000 2.879 251 G HA2 -0.176 3.785 3.960 0.002 0.000 0.686 251 G HA3 -0.176 3.785 3.960 0.002 0.000 0.686 251 G C -0.888 174.156 174.900 0.241 0.000 1.115 251 G CA -0.541 44.627 45.100 0.113 0.000 0.770 251 G HN -0.010 nan 8.290 nan 0.000 0.601 252 M N 0.190 119.901 119.600 0.183 0.000 2.719 252 M HA 0.728 5.209 4.480 0.002 0.000 0.291 252 M C -0.541 175.791 176.300 0.054 0.000 1.264 252 M CA -1.114 54.297 55.300 0.185 0.000 0.811 252 M CB 2.713 35.297 32.600 -0.026 0.000 1.756 252 M HN 0.584 nan 8.290 nan 0.000 0.464 253 V N 1.950 121.927 119.914 0.105 0.000 2.509 253 V HA 0.342 4.463 4.120 0.002 0.000 0.289 253 V C -1.552 174.636 176.094 0.157 0.000 1.026 253 V CA -0.729 61.552 62.300 -0.032 0.000 0.872 253 V CB 1.311 33.029 31.823 -0.176 0.000 1.017 253 V HN 0.581 nan 8.190 nan 0.000 0.436 254 Y N 4.493 124.848 120.300 0.091 0.000 2.301 254 Y HA 0.621 5.172 4.550 0.002 0.000 0.325 254 Y C 0.492 176.359 175.900 -0.055 0.000 1.203 254 Y CA -1.670 56.403 58.100 -0.045 0.000 1.255 254 Y CB 0.962 39.305 38.460 -0.195 0.000 1.232 254 Y HN 0.399 nan 8.280 nan 0.000 0.501 255 I N 4.230 124.802 120.570 0.004 0.000 2.521 255 I HA 0.230 4.401 4.170 0.002 0.000 0.277 255 I C -1.227 174.847 176.117 -0.071 0.000 1.054 255 I CA -0.690 60.613 61.300 0.006 0.000 1.117 255 I CB 0.437 38.393 38.000 -0.073 0.000 1.217 255 I HN 0.486 nan 8.210 nan 0.000 0.469 256 Y N 2.796 123.178 120.300 0.137 0.000 2.432 256 Y HA 0.332 4.883 4.550 0.002 0.000 0.322 256 Y C 0.525 176.404 175.900 -0.035 0.000 1.246 256 Y CA -0.808 57.348 58.100 0.094 0.000 1.268 256 Y CB 0.796 39.398 38.460 0.237 0.000 1.276 256 Y HN 0.559 nan 8.280 nan 0.000 0.499 257 D N -0.991 119.451 120.400 0.069 0.000 2.225 257 D HA 0.317 4.958 4.640 0.002 0.000 0.249 257 D C 0.905 176.933 176.300 -0.452 0.000 1.052 257 D CA -0.693 53.207 54.000 -0.167 0.000 0.909 257 D CB 1.423 42.180 40.800 -0.072 0.000 1.186 257 D HN 0.736 nan 8.370 nan 0.000 0.431 258 G N 1.095 109.484 108.800 -0.685 0.000 3.186 258 G HA2 -0.059 3.902 3.960 0.002 0.000 0.214 258 G HA3 -0.059 3.902 3.960 0.002 0.000 0.214 258 G C 0.936 175.781 174.900 -0.093 0.000 1.222 258 G CA 0.089 44.776 45.100 -0.687 0.000 0.921 258 G HN 0.427 nan 8.290 nan 0.000 0.504 259 K N -0.663 119.720 120.400 -0.028 0.000 2.606 259 K HA 0.160 4.481 4.320 0.002 0.000 0.199 259 K C 1.781 178.423 176.600 0.070 0.000 1.403 259 K CA 0.286 56.597 56.287 0.040 0.000 1.011 259 K CB 0.110 32.617 32.500 0.011 0.000 1.623 259 K HN 0.040 nan 8.250 nan 0.000 0.512 260 N N 0.138 118.874 118.700 0.060 0.000 2.402 260 N HA 0.041 4.782 4.740 0.002 0.000 0.174 260 N C 0.324 175.899 175.510 0.109 0.000 1.027 260 N CA 1.007 54.099 53.050 0.070 0.000 0.891 260 N CB 0.261 38.779 38.487 0.051 0.000 1.016 260 N HN 0.166 nan 8.380 nan 0.000 0.439 261 M N 0.077 119.771 119.600 0.157 0.000 2.939 261 M HA -0.184 4.297 4.480 0.002 0.000 0.202 261 M C -0.825 175.612 176.300 0.227 0.000 0.592 261 M CA -0.079 55.365 55.300 0.240 0.000 0.749 261 M CB -2.349 30.359 32.600 0.181 0.000 2.692 261 M HN 0.158 nan 8.290 nan 0.000 0.382 262 S N -0.718 115.086 115.700 0.172 0.000 2.580 262 S HA 0.635 5.106 4.470 0.002 0.000 0.274 262 S C 0.383 175.095 174.600 0.186 0.000 1.329 262 S CA -0.069 58.220 58.200 0.149 0.000 1.036 262 S CB 1.708 64.947 63.200 0.065 0.000 0.919 262 S HN 0.633 nan 8.310 nan 0.000 0.515 263 S N 1.065 116.833 115.700 0.113 0.000 2.564 263 S HA 0.390 4.861 4.470 0.002 0.000 0.278 263 S C 0.293 174.794 174.600 -0.166 0.000 1.333 263 S CA -0.626 57.496 58.200 -0.130 0.000 1.048 263 S CB 0.080 63.120 63.200 -0.267 0.000 0.900 263 S HN 0.620 nan 8.310 nan 0.000 0.505 264 L N 3.790 124.856 121.223 -0.261 0.000 3.405 264 L HA 0.535 4.876 4.340 0.002 0.000 0.176 264 L C -0.815 175.887 176.870 -0.280 0.000 1.340 264 L CA 0.690 55.312 54.840 -0.364 0.000 0.975 264 L CB -0.543 41.172 42.059 -0.572 0.000 1.509 264 L HN 0.611 nan 8.230 nan 0.000 0.646 265 Y N -0.055 120.219 120.300 -0.044 0.000 2.446 265 Y HA 0.547 5.098 4.550 0.002 0.000 0.338 265 Y C -0.102 175.730 175.900 -0.112 0.000 1.055 265 Y CA -1.813 56.221 58.100 -0.110 0.000 1.101 265 Y CB 0.697 39.082 38.460 -0.125 0.000 1.221 265 Y HN 0.135 nan 8.280 nan 0.000 0.460 266 N N 0.980 119.672 118.700 -0.014 0.000 2.328 266 N HA 0.592 5.334 4.740 0.002 0.000 0.299 266 N C -1.705 173.688 175.510 -0.195 0.000 1.179 266 N CA -0.689 52.412 53.050 0.084 0.000 0.793 266 N CB 1.518 40.091 38.487 0.143 0.000 1.366 266 N HN 0.345 nan 8.380 nan 0.000 0.493 267 F N -0.508 119.489 119.950 0.078 0.000 2.576 267 F HA 0.544 5.072 4.527 0.002 0.000 0.313 267 F C 0.091 175.974 175.800 0.138 0.000 1.078 267 F CA -0.419 57.636 58.000 0.091 0.000 0.921 267 F CB 2.315 41.422 39.000 0.178 0.000 1.232 267 F HN 0.108 nan 8.300 nan 0.000 0.459 268 T N 0.851 115.429 114.554 0.040 0.000 2.912 268 T HA 0.589 4.940 4.350 0.002 0.000 0.299 268 T C 0.050 174.159 174.700 -0.985 0.000 1.052 268 T CA -0.903 61.024 62.100 -0.288 0.000 0.996 268 T CB 1.790 70.570 68.868 -0.147 0.000 1.070 268 T HN 0.866 nan 8.240 nan 0.000 0.465 269 G N 0.487 108.538 108.800 -1.249 0.000 2.606 269 G HA2 0.354 4.315 3.960 0.002 0.000 0.252 269 G HA3 0.354 4.315 3.960 0.002 0.000 0.252 269 G C 0.384 175.030 174.900 -0.423 0.000 1.206 269 G CA -0.157 44.258 45.100 -1.141 0.000 0.861 269 G HN 0.692 nan 8.290 nan 0.000 0.561 270 E N -1.506 118.579 120.200 -0.192 0.000 2.431 270 E HA 0.106 4.457 4.350 0.002 0.000 0.200 270 E C 0.878 177.514 176.600 0.060 0.000 0.995 270 E CA 0.198 56.577 56.400 -0.035 0.000 0.915 270 E CB 0.380 30.099 29.700 0.032 0.000 0.930 270 E HN 0.539 nan 8.360 nan 0.000 0.496 271 Q N 0.172 120.052 119.800 0.134 0.000 2.375 271 Q HA 0.353 4.695 4.340 0.002 0.000 0.271 271 Q C -0.784 175.265 176.000 0.082 0.000 1.074 271 Q CA -0.678 55.186 55.803 0.102 0.000 0.808 271 Q CB 1.223 30.015 28.738 0.089 0.000 1.327 271 Q HN 0.011 nan 8.270 nan 0.000 0.441 272 M N 2.176 121.798 119.600 0.037 0.000 2.248 272 M HA 0.214 4.695 4.480 0.002 0.000 0.337 272 M C 0.866 177.203 176.300 0.062 0.000 1.121 272 M CA 0.959 56.281 55.300 0.036 0.000 1.155 272 M CB 0.522 33.128 32.600 0.010 0.000 1.514 272 M HN 1.026 nan 8.290 nan 0.000 0.452 273 A N 1.276 124.144 122.820 0.080 0.000 2.945 273 A HA -0.218 4.103 4.320 0.002 0.000 0.263 273 A C 1.304 178.995 177.584 0.178 0.000 1.293 273 A CA 1.224 53.333 52.037 0.120 0.000 0.944 273 A CB -2.165 16.878 19.000 0.072 0.000 1.093 273 A HN 1.086 nan 8.150 nan 0.000 0.786 274 A N -2.475 120.469 122.820 0.207 0.000 2.208 274 A HA 0.396 4.717 4.320 0.002 0.000 0.209 274 A C 0.868 178.664 177.584 0.352 0.000 1.161 274 A CA 1.101 53.302 52.037 0.275 0.000 0.782 274 A CB -0.233 18.986 19.000 0.365 0.000 0.816 274 A HN 1.745 nan 8.150 nan 0.000 0.477 275 Y N -2.289 118.086 120.300 0.126 0.000 3.305 275 Y HA -0.237 4.314 4.550 0.002 0.000 0.209 275 Y C 0.002 175.996 175.900 0.157 0.000 1.354 275 Y CA 0.097 58.258 58.100 0.102 0.000 1.392 275 Y CB -2.453 36.038 38.460 0.051 0.000 1.446 275 Y HN 0.460 nan 8.280 nan 0.000 0.553 276 F N 1.373 121.345 119.950 0.037 0.000 2.516 276 F HA 0.424 4.952 4.527 0.002 0.000 0.351 276 F C 1.114 176.886 175.800 -0.048 0.000 1.208 276 F CA 1.281 59.291 58.000 0.018 0.000 1.073 276 F CB 0.026 39.029 39.000 0.006 0.000 1.203 276 F HN 0.378 nan 8.300 nan 0.000 0.602 277 G N 4.780 113.386 108.800 -0.323 0.000 2.370 277 G HA2 -0.301 3.660 3.960 0.002 0.000 0.174 277 G HA3 -0.301 3.660 3.960 0.002 0.000 0.174 277 G C 0.695 175.552 174.900 -0.072 0.000 1.002 277 G CA -0.022 44.893 45.100 -0.308 0.000 0.730 277 G HN 0.644 nan 8.290 nan 0.000 0.497 278 F N 3.038 122.939 119.950 -0.082 0.000 2.192 278 F HA 0.181 4.709 4.527 0.002 0.000 0.301 278 F C 1.243 177.117 175.800 0.124 0.000 1.079 278 F CA 2.184 60.245 58.000 0.102 0.000 1.303 278 F CB 0.215 39.338 39.000 0.205 0.000 1.024 278 F HN 0.505 nan 8.300 nan 0.000 0.494 279 S N -0.715 115.030 115.700 0.076 0.000 2.550 279 S HA 0.681 5.152 4.470 0.002 0.000 0.270 279 S C -0.877 173.670 174.600 -0.088 0.000 1.145 279 S CA -0.295 57.877 58.200 -0.048 0.000 0.852 279 S CB 1.752 64.956 63.200 0.007 0.000 1.119 279 S HN 0.563 nan 8.310 nan 0.000 0.465 280 V N -2.426 117.433 119.914 -0.090 0.000 3.206 280 V HA 1.086 5.207 4.120 0.002 0.000 0.305 280 V C -0.608 175.465 176.094 -0.036 0.000 1.257 280 V CA -0.623 61.624 62.300 -0.089 0.000 1.057 280 V CB 0.965 32.723 31.823 -0.108 0.000 1.075 280 V HN 2.293 nan 8.190 nan 0.000 0.443 281 A N 0.498 123.331 122.820 0.022 0.000 2.583 281 A HA 0.976 5.297 4.320 0.002 0.000 0.298 281 A C -0.662 177.036 177.584 0.190 0.000 1.055 281 A CA -0.109 51.954 52.037 0.044 0.000 0.714 281 A CB 1.112 20.060 19.000 -0.087 0.000 1.277 281 A HN 2.617 nan 8.150 nan 0.000 0.406 282 A N 1.284 124.231 122.820 0.211 0.000 2.330 282 A HA 0.953 5.274 4.320 0.002 0.000 0.313 282 A C -0.272 177.443 177.584 0.218 0.000 1.124 282 A CA -0.285 51.968 52.037 0.360 0.000 0.774 282 A CB 1.112 20.400 19.000 0.480 0.000 1.198 282 A HN 1.419 nan 8.150 nan 0.000 0.465 283 T N 1.226 115.949 114.554 0.281 0.000 2.977 283 T HA 0.249 4.600 4.350 0.002 0.000 0.345 283 T C -1.705 173.171 174.700 0.293 0.000 1.562 283 T CA -0.565 61.638 62.100 0.173 0.000 1.090 283 T CB 1.535 70.399 68.868 -0.007 0.000 1.383 283 T HN 0.701 nan 8.240 nan 0.000 0.484 284 D N 1.604 122.130 120.400 0.209 0.000 2.352 284 D HA 0.281 4.922 4.640 0.002 0.000 0.245 284 D C 0.712 177.177 176.300 0.275 0.000 1.224 284 D CA -0.397 53.748 54.000 0.242 0.000 0.879 284 D CB 0.491 41.394 40.800 0.172 0.000 1.057 284 D HN 0.312 nan 8.370 nan 0.000 0.491 285 I N 3.493 124.278 120.570 0.359 0.000 3.428 285 I HA 0.063 4.234 4.170 0.002 0.000 0.286 285 I C 0.486 176.800 176.117 0.328 0.000 1.287 285 I CA 0.486 62.006 61.300 0.366 0.000 1.396 285 I CB -0.371 37.940 38.000 0.517 0.000 1.062 285 I HN 0.584 nan 8.210 nan 0.000 0.471 286 N N -0.989 117.915 118.700 0.341 0.000 2.517 286 N HA 0.243 4.984 4.740 0.002 0.000 0.285 286 N C 0.596 176.481 175.510 0.626 0.000 1.528 286 N CA -0.092 53.197 53.050 0.398 0.000 0.892 286 N CB 0.368 38.971 38.487 0.193 0.000 1.356 286 N HN 0.035 nan 8.380 nan 0.000 0.495 287 G N 2.753 111.858 108.800 0.509 0.000 2.137 287 G HA2 -0.259 3.703 3.960 0.002 0.000 0.241 287 G HA3 -0.259 3.703 3.960 0.002 0.000 0.241 287 G C 0.150 175.149 174.900 0.165 0.000 0.689 287 G CA 1.062 46.249 45.100 0.146 0.000 1.099 287 G HN 0.861 nan 8.290 nan 0.000 0.332 288 D N 1.364 121.858 120.400 0.158 0.000 2.817 288 D HA 0.000 4.641 4.640 0.002 0.000 0.316 288 D C -0.150 176.237 176.300 0.146 0.000 1.565 288 D CA -0.046 54.053 54.000 0.165 0.000 0.901 288 D CB -0.477 40.461 40.800 0.230 0.000 1.520 288 D HN 0.337 nan 8.370 nan 0.000 0.404 289 D N 0.602 121.038 120.400 0.060 0.000 3.359 289 D HA -0.246 4.396 4.640 0.002 0.000 0.212 289 D C -1.317 174.860 176.300 -0.204 0.000 1.160 289 D CA 1.330 55.295 54.000 -0.059 0.000 1.008 289 D CB -0.836 39.884 40.800 -0.134 0.000 0.809 289 D HN 0.473 nan 8.370 nan 0.000 0.387 290 Y N -0.989 119.316 120.300 0.007 0.000 2.237 290 Y HA 0.338 4.889 4.550 0.002 0.000 0.316 290 Y C 0.256 176.166 175.900 0.017 0.000 1.236 290 Y CA -0.809 57.283 58.100 -0.013 0.000 1.257 290 Y CB 0.745 39.203 38.460 -0.005 0.000 1.272 290 Y HN 0.354 nan 8.280 nan 0.000 0.394 291 A N 2.885 125.747 122.820 0.070 0.000 2.565 291 A HA 0.189 4.510 4.320 0.002 0.000 0.237 291 A C -0.385 177.406 177.584 0.346 0.000 1.053 291 A CA 0.336 52.420 52.037 0.078 0.000 0.755 291 A CB 0.067 18.904 19.000 -0.272 0.000 0.980 291 A HN 0.564 nan 8.150 nan 0.000 0.506 292 D N 2.049 122.711 120.400 0.436 0.000 2.308 292 D HA 0.395 5.037 4.640 0.002 0.000 0.242 292 D C -0.368 176.266 176.300 0.556 0.000 1.059 292 D CA -0.223 54.061 54.000 0.473 0.000 0.830 292 D CB 1.776 42.776 40.800 0.334 0.000 1.161 292 D HN 0.209 nan 8.370 nan 0.000 0.494 293 V N 2.334 122.490 119.914 0.404 0.000 2.649 293 V HA 0.298 4.419 4.120 0.002 0.000 0.292 293 V C -0.345 175.727 176.094 -0.036 0.000 1.055 293 V CA -0.129 62.287 62.300 0.193 0.000 1.023 293 V CB 0.344 32.026 31.823 -0.234 0.000 0.992 293 V HN 0.347 nan 8.190 nan 0.000 0.480 294 F N 4.373 124.258 119.950 -0.109 0.000 2.539 294 F HA 0.655 5.183 4.527 0.002 0.000 0.318 294 F C -0.135 175.530 175.800 -0.224 0.000 1.135 294 F CA -0.685 57.238 58.000 -0.128 0.000 0.915 294 F CB 1.498 40.453 39.000 -0.075 0.000 1.176 294 F HN 0.182 nan 8.300 nan 0.000 0.440 295 I N 2.341 122.830 120.570 -0.134 0.000 2.436 295 I HA 0.575 4.746 4.170 0.002 0.000 0.289 295 I C 0.236 176.218 176.117 -0.226 0.000 1.010 295 I CA -0.841 60.270 61.300 -0.315 0.000 1.098 295 I CB 2.065 39.663 38.000 -0.671 0.000 1.266 295 I HN 0.719 nan 8.210 nan 0.000 0.434 296 G N 4.137 112.831 108.800 -0.176 0.000 2.332 296 G HA2 0.631 4.592 3.960 0.002 0.000 0.310 296 G HA3 0.631 4.592 3.960 0.002 0.000 0.310 296 G C -0.465 174.447 174.900 0.020 0.000 1.123 296 G CA -0.428 44.639 45.100 -0.054 0.000 0.873 296 G HN 0.752 nan 8.290 nan 0.000 0.460 297 A N 4.927 127.812 122.820 0.109 0.000 2.802 297 A HA 0.640 4.961 4.320 0.002 0.000 0.344 297 A C -1.106 176.613 177.584 0.225 0.000 1.215 297 A CA -1.279 50.892 52.037 0.223 0.000 0.821 297 A CB 1.307 20.491 19.000 0.307 0.000 1.099 297 A HN 0.482 nan 8.150 nan 0.000 0.479 298 P HA -0.118 nan 4.420 nan 0.000 0.221 298 P C 0.518 177.907 177.300 0.149 0.000 1.145 298 P CA 0.905 64.059 63.100 0.090 0.000 0.795 298 P CB 0.304 31.905 31.700 -0.165 0.000 0.775 299 L N -1.855 119.468 121.223 0.167 0.000 2.818 299 L HA 0.327 4.668 4.340 0.002 0.000 0.243 299 L C 0.697 177.703 176.870 0.228 0.000 1.185 299 L CA -0.933 54.004 54.840 0.162 0.000 0.988 299 L CB -1.374 40.738 42.059 0.088 0.000 1.292 299 L HN -0.159 nan 8.230 nan 0.000 0.519 300 F N 1.191 121.221 119.950 0.134 0.000 2.553 300 F HA 0.190 4.718 4.527 0.002 0.000 0.356 300 F C 0.500 176.364 175.800 0.107 0.000 1.142 300 F CA 0.359 58.432 58.000 0.123 0.000 1.322 300 F CB 0.395 39.478 39.000 0.139 0.000 1.126 300 F HN -0.064 nan 8.300 nan 0.000 0.599 301 M N 6.333 125.528 119.600 -0.675 0.000 2.085 301 M HA 0.211 4.692 4.480 0.002 0.000 0.309 301 M C -0.793 175.146 176.300 -0.602 0.000 0.947 301 M CA -0.910 54.135 55.300 -0.424 0.000 0.918 301 M CB 1.326 33.778 32.600 -0.246 0.000 1.504 301 M HN 0.614 nan 8.290 nan 0.000 0.420 302 D N 3.099 123.370 120.400 -0.216 0.000 2.530 302 D HA 0.478 5.119 4.640 0.002 0.000 0.282 302 D C -0.426 175.846 176.300 -0.047 0.000 1.204 302 D CA -0.534 53.428 54.000 -0.064 0.000 1.093 302 D CB 0.840 41.740 40.800 0.166 0.000 1.154 302 D HN 0.295 nan 8.370 nan 0.000 0.593 303 R N -0.745 119.757 120.500 0.004 0.000 2.437 303 R HA 0.635 4.976 4.340 0.002 0.000 0.310 303 R C 0.257 176.559 176.300 0.004 0.000 0.955 303 R CA -0.700 55.396 56.100 -0.006 0.000 0.851 303 R CB 1.643 31.942 30.300 -0.002 0.000 1.161 303 R HN 0.639 nan 8.270 nan 0.000 0.446 304 G N 0.283 109.079 108.800 -0.007 0.000 2.547 304 G HA2 0.138 4.099 3.960 0.002 0.000 0.291 304 G HA3 0.138 4.099 3.960 0.002 0.000 0.291 304 G C 0.715 175.610 174.900 -0.008 0.000 1.211 304 G CA -0.460 44.635 45.100 -0.007 0.000 0.950 304 G HN 0.493 nan 8.290 nan 0.000 0.504 305 S N 0.025 115.719 115.700 -0.010 0.000 2.387 305 S HA -0.198 4.273 4.470 0.002 0.000 0.230 305 S C 1.931 176.524 174.600 -0.011 0.000 1.035 305 S CA 2.111 60.305 58.200 -0.010 0.000 1.014 305 S CB -0.372 62.820 63.200 -0.013 0.000 0.836 305 S HN 0.824 nan 8.310 nan 0.000 0.466 306 D N 0.094 120.486 120.400 -0.014 0.000 2.378 306 D HA 0.194 4.835 4.640 0.002 0.000 0.222 306 D C 1.372 177.664 176.300 -0.014 0.000 0.980 306 D CA 0.768 54.760 54.000 -0.015 0.000 0.907 306 D CB -0.562 40.228 40.800 -0.018 0.000 0.899 306 D HN 0.418 nan 8.370 nan 0.000 0.527 307 G N -0.160 108.632 108.800 -0.014 0.000 2.267 307 G HA2 -0.356 3.605 3.960 0.002 0.000 0.257 307 G HA3 -0.356 3.605 3.960 0.002 0.000 0.257 307 G C 0.321 175.210 174.900 -0.019 0.000 0.998 307 G CA 0.299 45.390 45.100 -0.014 0.000 0.620 307 G HN 0.452 nan 8.290 nan 0.000 0.529 308 K N 0.265 120.652 120.400 -0.022 0.000 2.202 308 K HA 0.578 4.899 4.320 0.002 0.000 0.264 308 K C 0.704 177.284 176.600 -0.034 0.000 1.010 308 K CA -0.600 55.671 56.287 -0.026 0.000 0.940 308 K CB 0.909 33.393 32.500 -0.026 0.000 0.983 308 K HN 0.210 nan 8.250 nan 0.000 0.475 309 L N 2.766 123.966 121.223 -0.040 0.000 2.410 309 L HA 0.064 4.405 4.340 0.002 0.000 0.273 309 L C 0.236 177.077 176.870 -0.047 0.000 1.152 309 L CA 0.238 55.046 54.840 -0.053 0.000 0.855 309 L CB 0.371 42.393 42.059 -0.061 0.000 1.129 309 L HN 0.467 nan 8.230 nan 0.000 0.463 310 Q N 2.630 122.401 119.800 -0.048 0.000 2.353 310 Q HA 0.255 4.596 4.340 0.002 0.000 0.268 310 Q C -0.790 175.209 176.000 -0.003 0.000 1.045 310 Q CA -0.656 55.122 55.803 -0.042 0.000 0.811 310 Q CB 2.737 31.454 28.738 -0.035 0.000 1.305 310 Q HN 0.439 nan 8.270 nan 0.000 0.447 311 E N 2.656 122.883 120.200 0.045 0.000 1.963 311 E HA 0.137 4.488 4.350 0.002 0.000 0.274 311 E C 0.033 176.751 176.600 0.197 0.000 1.061 311 E CA -0.082 56.416 56.400 0.163 0.000 0.847 311 E CB 0.565 30.482 29.700 0.361 0.000 1.083 311 E HN 0.583 nan 8.360 nan 0.000 0.402 312 V N 0.983 121.008 119.914 0.185 0.000 3.497 312 V HA 0.435 4.556 4.120 0.002 0.000 0.272 312 V C 0.630 176.889 176.094 0.273 0.000 1.474 312 V CA 0.523 62.949 62.300 0.210 0.000 1.025 312 V CB 0.076 31.986 31.823 0.146 0.000 0.820 312 V HN 0.671 nan 8.190 nan 0.000 0.437 313 G N 1.639 110.650 108.800 0.352 0.000 2.728 313 G HA2 -0.046 3.915 3.960 0.002 0.000 0.686 313 G HA3 -0.046 3.915 3.960 0.002 0.000 0.686 313 G C -0.616 174.524 174.900 0.401 0.000 1.337 313 G CA 0.086 45.447 45.100 0.436 0.000 0.861 313 G HN 1.427 nan 8.290 nan 0.000 0.597 314 Q N -1.014 118.948 119.800 0.271 0.000 2.433 314 Q HA 0.791 5.132 4.340 0.002 0.000 0.279 314 Q C -1.209 174.881 176.000 0.149 0.000 1.105 314 Q CA -1.271 54.590 55.803 0.097 0.000 0.815 314 Q CB 2.690 31.177 28.738 -0.418 0.000 1.403 314 Q HN 0.905 nan 8.270 nan 0.000 0.435 315 V N 2.135 122.159 119.914 0.183 0.000 2.304 315 V HA 0.256 4.377 4.120 0.002 0.000 0.278 315 V C -0.411 175.690 176.094 0.012 0.000 1.018 315 V CA -0.520 61.826 62.300 0.077 0.000 0.814 315 V CB 1.321 33.172 31.823 0.047 0.000 1.021 315 V HN 0.869 nan 8.190 nan 0.000 0.440 316 S N 4.799 120.502 115.700 0.005 0.000 2.488 316 S HA 0.332 4.803 4.470 0.002 0.000 0.278 316 S C -0.252 174.295 174.600 -0.087 0.000 1.259 316 S CA -0.283 57.919 58.200 0.004 0.000 1.061 316 S CB 0.490 63.786 63.200 0.159 0.000 0.910 316 S HN 0.497 nan 8.310 nan 0.000 0.491 317 V N 6.316 126.143 119.914 -0.145 0.000 2.266 317 V HA 0.298 4.419 4.120 0.002 0.000 0.271 317 V C -0.184 175.745 176.094 -0.274 0.000 1.032 317 V CA -0.656 61.419 62.300 -0.376 0.000 0.806 317 V CB 1.017 32.618 31.823 -0.371 0.000 1.052 317 V HN 0.896 nan 8.190 nan 0.000 0.449 318 S N 6.267 121.841 115.700 -0.210 0.000 2.439 318 S HA 0.582 5.053 4.470 0.002 0.000 0.282 318 S C -0.109 174.599 174.600 0.180 0.000 1.170 318 S CA -0.453 57.792 58.200 0.075 0.000 1.054 318 S CB 0.734 64.086 63.200 0.254 0.000 0.956 318 S HN 0.487 nan 8.310 nan 0.000 0.490 319 L N 3.055 124.384 121.223 0.176 0.000 2.350 319 L HA 0.385 4.726 4.340 0.002 0.000 0.275 319 L C 0.605 177.533 176.870 0.096 0.000 1.099 319 L CA -0.471 54.447 54.840 0.129 0.000 0.808 319 L CB 0.874 42.957 42.059 0.039 0.000 1.149 319 L HN 0.598 nan 8.230 nan 0.000 0.442 320 Q N 3.087 122.852 119.800 -0.057 0.000 2.322 320 Q HA 0.235 4.576 4.340 0.002 0.000 0.256 320 Q C -0.518 175.185 176.000 -0.495 0.000 0.960 320 Q CA -0.728 54.774 55.803 -0.500 0.000 0.934 320 Q CB 1.133 29.728 28.738 -0.238 0.000 1.200 320 Q HN 0.385 nan 8.270 nan 0.000 0.435 321 R N 2.433 122.595 120.500 -0.564 0.000 2.490 321 R HA 0.294 4.635 4.340 0.002 0.000 0.278 321 R C 0.550 176.485 176.300 -0.607 0.000 1.069 321 R CA 0.686 56.510 56.100 -0.461 0.000 1.080 321 R CB 0.787 30.905 30.300 -0.303 0.000 1.030 321 R HN 0.784 nan 8.270 nan 0.000 0.491 322 A N 1.866 124.284 122.820 -0.669 0.000 2.178 322 A HA -0.107 4.214 4.320 0.002 0.000 0.218 322 A C 1.548 179.000 177.584 -0.221 0.000 1.157 322 A CA 1.591 53.253 52.037 -0.626 0.000 0.689 322 A CB -0.654 18.137 19.000 -0.349 0.000 0.787 322 A HN 0.806 nan 8.150 nan 0.000 0.465 323 S N -2.293 113.285 115.700 -0.203 0.000 2.562 323 S HA 0.361 4.832 4.470 0.002 0.000 0.221 323 S C 1.470 176.018 174.600 -0.087 0.000 0.975 323 S CA 1.068 59.204 58.200 -0.106 0.000 0.918 323 S CB -0.186 62.956 63.200 -0.098 0.000 0.772 323 S HN 1.788 nan 8.310 nan 0.000 0.531 324 G N 0.672 109.384 108.800 -0.147 0.000 2.213 324 G HA2 -0.189 3.772 3.960 0.002 0.000 0.236 324 G HA3 -0.189 3.772 3.960 0.002 0.000 0.236 324 G C -0.216 174.491 174.900 -0.322 0.000 0.991 324 G CA 0.153 45.193 45.100 -0.101 0.000 0.629 324 G HN 0.557 nan 8.290 nan 0.000 0.517 325 D N -0.365 119.858 120.400 -0.294 0.000 2.466 325 D HA 0.724 5.365 4.640 0.002 0.000 0.262 325 D C -0.060 176.044 176.300 -0.327 0.000 1.177 325 D CA 0.094 53.965 54.000 -0.216 0.000 1.035 325 D CB 0.700 41.430 40.800 -0.116 0.000 1.105 325 D HN 0.062 nan 8.370 nan 0.000 0.551 326 F N -0.309 119.531 119.950 -0.184 0.000 2.593 326 F HA 0.235 4.763 4.527 0.002 0.000 0.320 326 F C 0.415 176.170 175.800 -0.075 0.000 1.060 326 F CA -0.775 57.162 58.000 -0.104 0.000 0.940 326 F CB 1.461 40.419 39.000 -0.070 0.000 1.268 326 F HN -0.103 nan 8.300 nan 0.000 0.475 327 Q N 2.206 122.092 119.800 0.143 0.000 2.788 327 Q HA 0.269 4.610 4.340 0.002 0.000 0.261 327 Q C -1.044 175.007 176.000 0.085 0.000 1.029 327 Q CA -0.238 55.603 55.803 0.064 0.000 0.848 327 Q CB 0.943 29.688 28.738 0.011 0.000 1.185 327 Q HN 0.753 nan 8.270 nan 0.000 0.482 328 T N 1.676 116.287 114.554 0.095 0.000 2.913 328 T HA 0.433 4.784 4.350 0.002 0.000 0.297 328 T C 0.590 175.304 174.700 0.024 0.000 1.029 328 T CA 0.103 62.246 62.100 0.072 0.000 1.104 328 T CB 1.004 69.921 68.868 0.081 0.000 0.964 328 T HN 0.615 nan 8.240 nan 0.000 0.532 329 T N 0.050 114.604 114.554 -0.000 0.000 2.742 329 T HA 0.821 5.172 4.350 0.002 0.000 0.282 329 T C -1.135 173.552 174.700 -0.022 0.000 1.025 329 T CA -1.045 61.048 62.100 -0.010 0.000 1.020 329 T CB 1.893 70.752 68.868 -0.014 0.000 1.317 329 T HN 0.387 nan 8.240 nan 0.000 0.538 330 K N -0.501 119.888 120.400 -0.019 0.000 2.512 330 K HA 0.802 5.123 4.320 0.002 0.000 0.263 330 K C -1.960 174.632 176.600 -0.013 0.000 0.966 330 K CA -0.786 55.481 56.287 -0.033 0.000 0.851 330 K CB 2.129 34.596 32.500 -0.056 0.000 1.395 330 K HN 0.681 nan 8.250 nan 0.000 0.440 331 L N 1.670 122.887 121.223 -0.010 0.000 2.596 331 L HA 0.525 4.866 4.340 0.002 0.000 0.265 331 L C -1.893 174.970 176.870 -0.012 0.000 0.962 331 L CA -0.271 54.575 54.840 0.010 0.000 0.891 331 L CB 1.502 43.561 42.059 -0.000 0.000 1.248 331 L HN 0.630 nan 8.230 nan 0.000 0.410 332 N N 2.426 121.080 118.700 -0.077 0.000 2.515 332 N HA 0.712 5.453 4.740 0.002 0.000 0.279 332 N C 0.442 175.587 175.510 -0.609 0.000 1.164 332 N CA 0.107 53.068 53.050 -0.148 0.000 0.982 332 N CB 1.088 39.604 38.487 0.049 0.000 1.170 332 N HN 0.829 nan 8.380 nan 0.000 0.474 333 G N -0.570 107.843 108.800 -0.645 0.000 2.684 333 G HA2 0.153 4.114 3.960 0.002 0.000 0.255 333 G HA3 0.153 4.114 3.960 0.002 0.000 0.255 333 G C -0.130 174.611 174.900 -0.264 0.000 1.219 333 G CA -0.332 44.217 45.100 -0.918 0.000 0.901 333 G HN 0.593 nan 8.290 nan 0.000 0.548 334 F N -0.617 119.233 119.950 -0.167 0.000 2.419 334 F HA 0.228 4.756 4.527 0.001 0.000 0.283 334 F C 1.415 177.236 175.800 0.035 0.000 1.044 334 F CA 0.029 57.987 58.000 -0.070 0.000 1.376 334 F CB 0.437 39.382 39.000 -0.092 0.000 1.131 334 F HN 0.315 nan 8.300 nan 0.000 0.585 335 E N 0.042 120.425 120.200 0.304 0.000 2.243 335 E HA 0.387 4.738 4.350 0.002 0.000 0.260 335 E C -0.863 175.831 176.600 0.156 0.000 0.985 335 E CA -0.818 55.701 56.400 0.198 0.000 0.858 335 E CB 2.377 32.202 29.700 0.208 0.000 1.210 335 E HN -0.238 nan 8.360 nan 0.000 0.411 336 V N 2.179 122.129 119.914 0.060 0.000 2.567 336 V HA 0.093 4.214 4.120 0.002 0.000 0.289 336 V C 0.153 176.325 176.094 0.130 0.000 1.049 336 V CA -0.073 62.215 62.300 -0.019 0.000 0.969 336 V CB 0.221 31.852 31.823 -0.320 0.000 0.995 336 V HN 0.736 nan 8.190 nan 0.000 0.471 337 F N 0.045 120.057 119.950 0.103 0.000 2.590 337 F HA -0.223 4.305 4.527 0.001 0.000 0.471 337 F C 1.033 176.928 175.800 0.159 0.000 0.551 337 F CA 0.574 58.627 58.000 0.088 0.000 1.228 337 F CB -2.029 36.999 39.000 0.047 0.000 1.862 337 F HN 0.648 nan 8.300 nan 0.000 0.271 338 A N 1.250 124.317 122.820 0.412 0.000 2.309 338 A HA 0.643 4.964 4.320 0.002 0.000 0.290 338 A C 0.600 178.426 177.584 0.403 0.000 1.206 338 A CA -0.349 51.946 52.037 0.431 0.000 0.850 338 A CB 0.359 19.568 19.000 0.349 0.000 1.118 338 A HN 0.173 nan 8.150 nan 0.000 0.523 339 R N 0.895 121.659 120.500 0.440 0.000 2.734 339 R HA 0.300 4.641 4.340 0.002 0.000 0.266 339 R C 0.401 176.886 176.300 0.309 0.000 1.044 339 R CA 0.202 56.479 56.100 0.295 0.000 1.128 339 R CB 0.003 30.420 30.300 0.195 0.000 1.010 339 R HN 0.814 nan 8.270 nan 0.000 0.461 340 F N -0.021 120.005 119.950 0.127 0.000 2.539 340 F HA 0.340 4.868 4.527 0.002 0.000 0.277 340 F C 1.587 177.443 175.800 0.092 0.000 0.925 340 F CA 0.836 58.911 58.000 0.125 0.000 1.193 340 F CB -0.299 38.763 39.000 0.103 0.000 1.128 340 F HN 0.536 nan 8.300 nan 0.000 0.740 341 G N 0.144 108.777 108.800 -0.278 0.000 3.295 341 G HA2 0.007 3.968 3.960 0.002 0.000 0.231 341 G HA3 0.007 3.968 3.960 0.002 0.000 0.231 341 G C 1.240 176.081 174.900 -0.097 0.000 1.277 341 G CA 0.608 45.501 45.100 -0.345 0.000 1.013 341 G HN 0.399 nan 8.290 nan 0.000 0.509 342 S N -0.163 115.489 115.700 -0.079 0.000 2.469 342 S HA 0.292 4.763 4.470 0.002 0.000 0.238 342 S C 1.162 175.809 174.600 0.077 0.000 0.998 342 S CA 1.028 59.207 58.200 -0.035 0.000 0.957 342 S CB -0.038 63.112 63.200 -0.083 0.000 0.764 342 S HN 0.828 nan 8.310 nan 0.000 0.514 343 A N 0.823 123.612 122.820 -0.053 0.000 2.599 343 A HA 0.467 4.788 4.320 0.002 0.000 0.300 343 A C -0.709 176.804 177.584 -0.118 0.000 1.151 343 A CA -0.673 51.305 52.037 -0.097 0.000 0.883 343 A CB 0.269 19.176 19.000 -0.154 0.000 1.480 343 A HN 0.320 nan 8.150 nan 0.000 0.401 344 I N 1.622 122.122 120.570 -0.117 0.000 2.428 344 I HA 0.567 4.738 4.170 0.002 0.000 0.289 344 I C 0.706 176.754 176.117 -0.115 0.000 1.019 344 I CA -0.171 61.051 61.300 -0.130 0.000 1.351 344 I CB 1.837 39.758 38.000 -0.131 0.000 1.412 344 I HN 0.706 nan 8.210 nan 0.000 0.513 345 A N 8.575 131.335 122.820 -0.101 0.000 2.569 345 A HA 0.560 4.881 4.320 0.002 0.000 0.282 345 A C -2.691 174.853 177.584 -0.067 0.000 1.165 345 A CA -1.294 50.700 52.037 -0.071 0.000 0.747 345 A CB 0.689 19.666 19.000 -0.039 0.000 1.215 345 A HN 0.424 nan 8.150 nan 0.000 0.431 346 P HA 0.398 nan 4.420 nan 0.000 0.276 346 P C -0.474 176.818 177.300 -0.013 0.000 1.235 346 P CA 0.096 63.130 63.100 -0.109 0.000 0.772 346 P CB 1.084 32.683 31.700 -0.167 0.000 0.871 347 L N 2.464 123.697 121.223 0.017 0.000 2.805 347 L HA 0.658 4.999 4.340 0.002 0.000 0.242 347 L C 2.060 178.956 176.870 0.045 0.000 1.180 347 L CA -0.192 54.680 54.840 0.054 0.000 1.001 347 L CB -0.505 41.599 42.059 0.075 0.000 1.864 347 L HN 0.386 nan 8.230 nan 0.000 0.551 348 G N -1.534 107.295 108.800 0.048 0.000 2.651 348 G HA2 0.172 4.133 3.960 0.002 0.000 0.226 348 G HA3 0.172 4.133 3.960 0.002 0.000 0.226 348 G C -0.951 173.992 174.900 0.072 0.000 1.542 348 G CA 0.254 45.380 45.100 0.043 0.000 0.868 348 G HN 0.571 nan 8.290 nan 0.000 0.588 349 D N -0.225 120.225 120.400 0.084 0.000 2.411 349 D HA 0.302 4.943 4.640 0.002 0.000 0.239 349 D C 0.526 176.909 176.300 0.137 0.000 1.307 349 D CA -0.243 53.829 54.000 0.120 0.000 0.930 349 D CB 1.314 42.186 40.800 0.121 0.000 1.395 349 D HN 0.066 nan 8.370 nan 0.000 0.536 350 L N 1.603 122.879 121.223 0.088 0.000 2.762 350 L HA 0.150 4.491 4.340 0.002 0.000 0.250 350 L C 0.506 177.312 176.870 -0.108 0.000 1.160 350 L CA 0.498 55.337 54.840 -0.000 0.000 0.951 350 L CB -0.496 41.538 42.059 -0.042 0.000 1.148 350 L HN 0.368 nan 8.230 nan 0.000 0.424 351 D N -3.858 116.573 120.400 0.051 0.000 2.107 351 D HA -0.066 4.575 4.640 0.002 0.000 0.458 351 D C 0.719 177.161 176.300 0.238 0.000 0.958 351 D CA -0.223 53.822 54.000 0.076 0.000 0.966 351 D CB -0.089 40.859 40.800 0.247 0.000 1.526 351 D HN -0.085 nan 8.370 nan 0.000 0.505 352 Q N 1.233 121.187 119.800 0.256 0.000 2.475 352 Q HA -0.160 4.181 4.340 0.002 0.000 0.280 352 Q C 0.235 176.333 176.000 0.164 0.000 1.234 352 Q CA 1.126 57.056 55.803 0.212 0.000 0.873 352 Q CB -1.756 27.140 28.738 0.264 0.000 1.256 352 Q HN 0.707 nan 8.270 nan 0.000 0.475 353 D N -1.736 118.769 120.400 0.176 0.000 2.349 353 D HA 0.089 4.730 4.640 0.002 0.000 0.224 353 D C 1.261 177.629 176.300 0.113 0.000 1.029 353 D CA 0.855 54.963 54.000 0.181 0.000 0.879 353 D CB -0.108 40.837 40.800 0.243 0.000 0.906 353 D HN 0.605 nan 8.370 nan 0.000 0.528 354 G N -0.188 108.615 108.800 0.004 0.000 2.130 354 G HA2 -0.185 3.776 3.960 0.002 0.000 0.216 354 G HA3 -0.185 3.776 3.960 0.002 0.000 0.216 354 G C -0.278 174.264 174.900 -0.597 0.000 0.999 354 G CA -0.056 44.894 45.100 -0.250 0.000 0.686 354 G HN 0.304 nan 8.290 nan 0.000 0.515 355 F N 0.106 120.105 119.950 0.081 0.000 2.615 355 F HA 0.450 4.978 4.527 0.002 0.000 0.312 355 F C -0.068 175.790 175.800 0.096 0.000 1.119 355 F CA -1.353 56.701 58.000 0.090 0.000 0.979 355 F CB 1.324 40.382 39.000 0.097 0.000 1.266 355 F HN -0.066 nan 8.300 nan 0.000 0.444 356 N N 3.059 121.931 118.700 0.287 0.000 2.525 356 N HA 0.188 4.929 4.740 0.002 0.000 0.271 356 N C -0.611 175.018 175.510 0.199 0.000 1.194 356 N CA -0.160 53.007 53.050 0.195 0.000 0.964 356 N CB 1.049 39.622 38.487 0.143 0.000 1.126 356 N HN 0.586 nan 8.380 nan 0.000 0.452 357 D N 0.862 121.354 120.400 0.154 0.000 2.539 357 D HA 0.577 5.218 4.640 0.002 0.000 0.276 357 D C 0.218 176.581 176.300 0.104 0.000 1.206 357 D CA -0.376 53.718 54.000 0.156 0.000 1.081 357 D CB 1.693 42.580 40.800 0.146 0.000 1.142 357 D HN 0.340 nan 8.370 nan 0.000 0.595 358 I N -1.515 119.130 120.570 0.125 0.000 2.746 358 I HA 0.377 4.548 4.170 0.002 0.000 0.290 358 I C -2.088 174.124 176.117 0.159 0.000 1.600 358 I CA -0.447 60.882 61.300 0.048 0.000 1.019 358 I CB 1.813 39.748 38.000 -0.109 0.000 1.426 358 I HN 0.555 nan 8.210 nan 0.000 0.460 359 A N 8.090 130.968 122.820 0.097 0.000 2.323 359 A HA 0.732 5.053 4.320 0.002 0.000 0.305 359 A C -0.827 176.820 177.584 0.104 0.000 1.275 359 A CA -0.444 51.690 52.037 0.162 0.000 0.804 359 A CB 0.471 19.537 19.000 0.109 0.000 1.152 359 A HN 0.550 nan 8.150 nan 0.000 0.487 360 I N 1.651 122.341 120.570 0.201 0.000 2.612 360 I HA 0.566 4.737 4.170 0.002 0.000 0.295 360 I C 0.662 176.803 176.117 0.040 0.000 1.011 360 I CA -0.207 61.081 61.300 -0.021 0.000 1.326 360 I CB 1.808 39.665 38.000 -0.238 0.000 1.427 360 I HN 0.677 nan 8.210 nan 0.000 0.537 361 A N 4.147 126.908 122.820 -0.099 0.000 2.398 361 A HA 0.792 5.113 4.320 0.002 0.000 0.301 361 A C -0.726 176.861 177.584 0.004 0.000 1.041 361 A CA -0.590 51.436 52.037 -0.018 0.000 0.711 361 A CB 1.558 20.544 19.000 -0.022 0.000 1.240 361 A HN 0.781 nan 8.150 nan 0.000 0.420 362 A N 3.814 126.678 122.820 0.073 0.000 2.540 362 A HA 0.683 5.004 4.320 0.002 0.000 0.340 362 A C -2.132 175.467 177.584 0.026 0.000 1.424 362 A CA -1.534 50.586 52.037 0.139 0.000 0.940 362 A CB 0.159 19.328 19.000 0.282 0.000 1.149 362 A HN 0.444 nan 8.150 nan 0.000 0.505 363 P HA -0.087 nan 4.420 nan 0.000 0.228 363 P C -0.027 176.872 177.300 -0.669 0.000 1.151 363 P CA 1.436 64.288 63.100 -0.412 0.000 0.770 363 P CB -0.080 31.244 31.700 -0.627 0.000 0.786 364 Y N -2.278 118.113 120.300 0.150 0.000 2.588 364 Y HA 0.401 4.952 4.550 0.002 0.000 0.247 364 Y C 1.713 177.692 175.900 0.130 0.000 1.157 364 Y CA -0.763 57.413 58.100 0.127 0.000 1.215 364 Y CB 0.027 38.561 38.460 0.122 0.000 1.245 364 Y HN -0.150 nan 8.280 nan 0.000 0.534 365 G N 0.288 109.203 108.800 0.193 0.000 2.588 365 G HA2 0.439 4.400 3.960 0.002 0.000 0.278 365 G HA3 0.439 4.400 3.960 0.002 0.000 0.278 365 G C 0.522 175.483 174.900 0.102 0.000 1.307 365 G CA 0.262 45.466 45.100 0.173 0.000 1.016 365 G HN 0.523 nan 8.290 nan 0.000 0.503 366 G N -0.934 107.924 108.800 0.097 0.000 2.877 366 G HA2 0.089 4.050 3.960 0.002 0.000 0.279 366 G HA3 0.089 4.050 3.960 0.002 0.000 0.279 366 G C 0.192 175.121 174.900 0.049 0.000 1.431 366 G CA 0.222 45.351 45.100 0.047 0.000 0.883 366 G HN 1.260 nan 8.290 nan 0.000 0.547 367 E N 0.654 120.866 120.200 0.020 0.000 2.392 367 E HA 0.316 4.667 4.350 0.002 0.000 0.264 367 E C 0.359 176.972 176.600 0.021 0.000 1.024 367 E CA 0.410 56.823 56.400 0.022 0.000 0.903 367 E CB 0.231 29.934 29.700 0.004 0.000 0.963 367 E HN 0.811 nan 8.360 nan 0.000 0.432 368 D N 1.928 122.351 120.400 0.039 0.000 2.837 368 D HA -0.204 4.437 4.640 0.002 0.000 0.230 368 D C -0.584 175.759 176.300 0.071 0.000 1.152 368 D CA 1.232 55.260 54.000 0.047 0.000 0.736 368 D CB -1.091 39.724 40.800 0.025 0.000 1.084 368 D HN 0.756 nan 8.370 nan 0.000 0.429 369 K N -1.563 118.898 120.400 0.102 0.000 3.012 369 K HA -0.336 3.985 4.320 0.002 0.000 0.259 369 K C 0.708 177.379 176.600 0.118 0.000 0.989 369 K CA 1.024 57.406 56.287 0.158 0.000 0.728 369 K CB -0.631 31.995 32.500 0.210 0.000 1.260 369 K HN 0.453 nan 8.250 nan 0.000 0.480 370 K N 0.403 120.831 120.400 0.046 0.000 2.432 370 K HA -0.000 4.321 4.320 0.002 0.000 0.196 370 K C 0.906 177.472 176.600 -0.058 0.000 1.038 370 K CA 0.578 56.858 56.287 -0.012 0.000 0.986 370 K CB 0.236 32.679 32.500 -0.095 0.000 0.782 370 K HN 0.549 nan 8.250 nan 0.000 0.485 371 G N 2.587 111.377 108.800 -0.017 0.000 2.825 371 G HA2 -0.208 3.753 3.960 0.002 0.000 0.686 371 G HA3 -0.208 3.753 3.960 0.002 0.000 0.686 371 G C -0.377 174.469 174.900 -0.090 0.000 1.362 371 G CA -0.125 44.979 45.100 0.006 0.000 0.975 371 G HN 0.230 nan 8.290 nan 0.000 0.594 372 I N -0.930 119.607 120.570 -0.054 0.000 3.108 372 I HA 0.902 5.073 4.170 0.002 0.000 0.312 372 I C -0.489 175.566 176.117 -0.104 0.000 1.095 372 I CA -1.534 59.678 61.300 -0.147 0.000 1.000 372 I CB 1.799 39.623 38.000 -0.292 0.000 1.229 372 I HN 0.739 nan 8.210 nan 0.000 0.454 373 V N 3.623 123.478 119.914 -0.098 0.000 2.447 373 V HA 0.362 4.484 4.120 0.002 0.000 0.292 373 V C -1.169 174.872 176.094 -0.088 0.000 1.021 373 V CA -0.409 61.862 62.300 -0.048 0.000 0.850 373 V CB 1.146 33.039 31.823 0.116 0.000 1.005 373 V HN 0.583 nan 8.190 nan 0.000 0.426 374 Y N 4.923 125.315 120.300 0.154 0.000 2.336 374 Y HA 0.503 5.054 4.550 0.001 0.000 0.335 374 Y C 0.838 176.745 175.900 0.012 0.000 1.046 374 Y CA -1.091 57.029 58.100 0.033 0.000 1.198 374 Y CB 0.990 39.476 38.460 0.043 0.000 1.182 374 Y HN 0.686 nan 8.280 nan 0.000 0.502 375 I N 0.931 121.535 120.570 0.056 0.000 2.373 375 I HA 0.384 4.556 4.170 0.002 0.000 0.287 375 I C -1.086 175.084 176.117 0.088 0.000 1.124 375 I CA -0.615 60.748 61.300 0.104 0.000 1.273 375 I CB -0.779 37.263 38.000 0.071 0.000 1.578 375 I HN 0.180 nan 8.210 nan 0.000 0.572 376 F N 2.634 122.699 119.950 0.190 0.000 2.629 376 F HA 0.109 4.637 4.527 0.002 0.000 0.369 376 F C 0.905 176.795 175.800 0.150 0.000 1.125 376 F CA 0.392 58.499 58.000 0.179 0.000 1.330 376 F CB -0.237 38.880 39.000 0.196 0.000 1.071 376 F HN 0.492 nan 8.300 nan 0.000 0.595 377 N N -0.140 118.733 118.700 0.288 0.000 2.485 377 N HA 0.688 5.429 4.740 0.002 0.000 0.280 377 N C -0.094 175.542 175.510 0.209 0.000 1.205 377 N CA -0.626 52.554 53.050 0.217 0.000 0.959 377 N CB 1.147 39.724 38.487 0.150 0.000 1.206 377 N HN 0.727 nan 8.380 nan 0.000 0.545 378 G N -0.326 108.586 108.800 0.186 0.000 2.454 378 G HA2 0.734 4.695 3.960 0.002 0.000 0.329 378 G HA3 0.734 4.695 3.960 0.002 0.000 0.329 378 G C -0.889 173.989 174.900 -0.037 0.000 1.177 378 G CA -0.371 44.818 45.100 0.148 0.000 0.951 378 G HN 0.426 nan 8.290 nan 0.000 0.485 379 R N -0.524 119.811 120.500 -0.274 0.000 2.799 379 R HA 0.354 4.695 4.340 0.002 0.000 0.270 379 R C 1.348 177.116 176.300 -0.886 0.000 1.010 379 R CA -0.261 55.372 56.100 -0.777 0.000 0.916 379 R CB 1.724 31.823 30.300 -0.335 0.000 1.228 379 R HN 0.639 nan 8.270 nan 0.000 0.469 380 S N -0.884 114.136 115.700 -1.133 0.000 2.419 380 S HA -0.194 4.277 4.470 0.002 0.000 0.233 380 S C 1.769 176.307 174.600 -0.103 0.000 1.016 380 S CA 1.856 59.866 58.200 -0.317 0.000 0.974 380 S CB -0.585 62.617 63.200 0.004 0.000 0.786 380 S HN 0.838 nan 8.310 nan 0.000 0.492 381 T N -1.866 112.610 114.554 -0.130 0.000 3.007 381 T HA 0.442 4.793 4.350 0.002 0.000 0.270 381 T C 1.260 175.948 174.700 -0.020 0.000 1.107 381 T CA 0.954 63.027 62.100 -0.045 0.000 1.118 381 T CB -0.612 68.237 68.868 -0.032 0.000 0.889 381 T HN 1.123 nan 8.240 nan 0.000 0.506 382 G N 0.824 109.606 108.800 -0.030 0.000 2.233 382 G HA2 0.261 4.222 3.960 0.002 0.000 0.162 382 G HA3 0.261 4.222 3.960 0.002 0.000 0.162 382 G C -1.735 173.189 174.900 0.041 0.000 1.327 382 G CA -0.463 44.649 45.100 0.019 0.000 1.187 382 G HN 0.686 nan 8.290 nan 0.000 0.479 383 L N 1.569 122.838 121.223 0.077 0.000 2.307 383 L HA 0.679 5.020 4.340 0.002 0.000 0.284 383 L C 0.374 177.330 176.870 0.143 0.000 1.023 383 L CA -0.668 54.256 54.840 0.139 0.000 0.810 383 L CB 1.524 43.699 42.059 0.193 0.000 1.231 383 L HN 0.703 nan 8.230 nan 0.000 0.423 384 N N 3.764 122.567 118.700 0.173 0.000 2.405 384 N HA 0.160 4.901 4.740 0.002 0.000 0.260 384 N C 0.742 176.438 175.510 0.310 0.000 1.152 384 N CA 0.264 53.428 53.050 0.189 0.000 0.948 384 N CB 1.202 39.782 38.487 0.154 0.000 1.111 384 N HN 0.917 nan 8.380 nan 0.000 0.485 385 A N 3.327 126.314 122.820 0.279 0.000 2.277 385 A HA 0.001 4.322 4.320 0.002 0.000 0.208 385 A C 0.616 178.463 177.584 0.438 0.000 1.202 385 A CA 0.299 52.564 52.037 0.380 0.000 0.762 385 A CB -0.604 18.536 19.000 0.234 0.000 0.770 385 A HN 0.517 nan 8.150 nan 0.000 0.487 386 V N -3.140 116.956 119.914 0.303 0.000 2.334 386 V HA 0.502 4.623 4.120 0.002 0.000 0.281 386 V C -3.098 172.995 176.094 -0.001 0.000 1.016 386 V CA -3.040 59.356 62.300 0.159 0.000 0.832 386 V CB 1.061 32.954 31.823 0.118 0.000 0.999 386 V HN 0.086 nan 8.190 nan 0.000 0.439 387 P HA 0.053 nan 4.420 nan 0.000 0.247 387 P C 0.990 178.234 177.300 -0.094 0.000 1.141 387 P CA 0.693 63.563 63.100 -0.383 0.000 0.858 387 P CB 0.434 32.038 31.700 -0.160 0.000 0.804 388 S N 1.558 117.225 115.700 -0.055 0.000 2.507 388 S HA -0.111 4.360 4.470 0.002 0.000 0.235 388 S C 0.733 175.386 174.600 0.088 0.000 0.988 388 S CA 0.778 59.011 58.200 0.054 0.000 0.944 388 S CB -0.181 63.095 63.200 0.126 0.000 0.762 388 S HN 0.579 nan 8.310 nan 0.000 0.526 389 Q N -0.501 119.330 119.800 0.052 0.000 2.756 389 Q HA 0.500 4.841 4.340 0.002 0.000 0.295 389 Q C -2.194 173.849 176.000 0.071 0.000 0.903 389 Q CA -0.798 55.041 55.803 0.059 0.000 0.768 389 Q CB 1.170 29.929 28.738 0.035 0.000 1.472 389 Q HN 0.338 nan 8.270 nan 0.000 0.416 390 I N 0.128 120.729 120.570 0.052 0.000 2.534 390 I HA 0.410 4.581 4.170 0.002 0.000 0.286 390 I C -1.347 174.741 176.117 -0.048 0.000 1.094 390 I CA -1.115 60.210 61.300 0.042 0.000 1.055 390 I CB 1.426 39.510 38.000 0.140 0.000 1.225 390 I HN 0.347 nan 8.210 nan 0.000 0.435 391 L N 5.606 126.781 121.223 -0.079 0.000 2.312 391 L HA 0.392 4.733 4.340 0.002 0.000 0.287 391 L C 0.340 177.150 176.870 -0.099 0.000 1.091 391 L CA 0.366 55.152 54.840 -0.089 0.000 0.846 391 L CB 0.062 42.081 42.059 -0.067 0.000 1.219 391 L HN 0.761 nan 8.230 nan 0.000 0.439 392 E N 1.871 121.970 120.200 -0.168 0.000 2.259 392 E HA 0.320 4.671 4.350 0.002 0.000 0.281 392 E C 0.696 176.979 176.600 -0.528 0.000 1.037 392 E CA -0.361 55.867 56.400 -0.287 0.000 0.854 392 E CB 1.299 30.892 29.700 -0.179 0.000 1.051 392 E HN 0.683 nan 8.360 nan 0.000 0.409 393 G N 1.941 110.175 108.800 -0.943 0.000 2.699 393 G HA2 0.076 4.037 3.960 0.002 0.000 0.246 393 G HA3 0.076 4.037 3.960 0.002 0.000 0.246 393 G C -0.077 174.479 174.900 -0.573 0.000 1.219 393 G CA -0.199 44.181 45.100 -1.200 0.000 0.866 393 G HN 0.538 nan 8.290 nan 0.000 0.572 394 Q N -1.429 118.007 119.800 -0.607 0.000 2.038 394 Q HA 0.220 4.561 4.340 0.002 0.000 0.240 394 Q C -1.241 174.117 176.000 -1.070 0.000 0.831 394 Q CA -0.329 55.022 55.803 -0.753 0.000 1.068 394 Q CB 0.334 28.611 28.738 -0.768 0.000 1.241 394 Q HN 0.593 nan 8.270 nan 0.000 0.435 395 W N 0.209 121.497 121.300 -0.021 0.000 2.532 395 W HA 0.782 5.443 4.660 0.002 0.000 0.321 395 W C 0.880 177.404 176.519 0.007 0.000 1.037 395 W CA -0.950 56.405 57.345 0.016 0.000 1.220 395 W CB 1.263 30.759 29.460 0.060 0.000 1.361 395 W HN 0.153 nan 8.180 nan 0.000 0.468 396 A N 3.232 126.172 122.820 0.199 0.000 2.240 396 A HA 0.357 4.678 4.320 0.002 0.000 0.199 396 A C 0.729 178.383 177.584 0.117 0.000 1.172 396 A CA 2.039 54.146 52.037 0.118 0.000 0.807 396 A CB -0.969 18.097 19.000 0.109 0.000 0.830 396 A HN 1.420 nan 8.150 nan 0.000 0.527 397 A N -4.244 118.645 122.820 0.115 0.000 2.544 397 A HA 0.556 4.877 4.320 0.002 0.000 0.300 397 A C 0.003 177.631 177.584 0.074 0.000 0.963 397 A CA 0.146 52.234 52.037 0.086 0.000 0.771 397 A CB 0.185 19.225 19.000 0.067 0.000 1.125 397 A HN 0.420 nan 8.150 nan 0.000 0.377 398 R N 0.529 121.067 120.500 0.063 0.000 2.243 398 R HA 0.358 4.699 4.340 0.002 0.000 0.193 398 R C 1.809 178.139 176.300 0.050 0.000 0.933 398 R CA 1.574 57.708 56.100 0.056 0.000 1.105 398 R CB 0.372 30.706 30.300 0.056 0.000 1.169 398 R HN 0.841 nan 8.270 nan 0.000 0.599 399 S N -1.141 114.590 115.700 0.050 0.000 2.727 399 S HA 0.394 4.865 4.470 0.002 0.000 0.249 399 S C 0.189 174.817 174.600 0.047 0.000 1.079 399 S CA -0.087 58.145 58.200 0.054 0.000 0.912 399 S CB 0.387 63.631 63.200 0.073 0.000 0.861 399 S HN 0.204 nan 8.310 nan 0.000 0.484 400 M N 0.261 119.880 119.600 0.032 0.000 3.213 400 M HA 0.669 5.150 4.480 0.002 0.000 0.278 400 M C -2.977 173.323 176.300 -0.000 0.000 1.332 400 M CA -1.896 53.413 55.300 0.015 0.000 0.810 400 M CB 0.918 33.523 32.600 0.008 0.000 1.676 400 M HN -0.267 nan 8.290 nan 0.000 0.463 401 P HA 0.251 nan 4.420 nan 0.000 0.271 401 P C -2.424 174.845 177.300 -0.052 0.000 1.216 401 P CA -0.845 62.287 63.100 0.054 0.000 0.771 401 P CB 0.159 31.977 31.700 0.196 0.000 0.864 402 P HA -0.145 nan 4.420 nan 0.000 0.218 402 P C 0.453 177.642 177.300 -0.185 0.000 1.146 402 P CA 1.276 64.350 63.100 -0.044 0.000 0.813 402 P CB -0.297 31.479 31.700 0.127 0.000 0.778 403 S N -3.070 112.518 115.700 -0.186 0.000 3.581 403 S HA -0.249 4.222 4.470 0.002 0.000 0.354 403 S C 0.147 174.717 174.600 -0.050 0.000 1.059 403 S CA 0.001 58.025 58.200 -0.294 0.000 1.060 403 S CB -2.636 60.147 63.200 -0.695 0.000 0.908 403 S HN 0.347 nan 8.310 nan 0.000 0.475 404 F N 1.627 121.526 119.950 -0.086 0.000 2.543 404 F HA 0.437 4.965 4.527 0.002 0.000 0.375 404 F C 1.335 177.141 175.800 0.010 0.000 1.075 404 F CA 1.223 59.242 58.000 0.031 0.000 1.225 404 F CB 0.179 39.235 39.000 0.094 0.000 1.099 404 F HN 0.402 nan 8.300 nan 0.000 0.561 405 G N 4.485 113.087 108.800 -0.330 0.000 2.175 405 G HA2 -0.418 3.543 3.960 0.002 0.000 0.244 405 G HA3 -0.418 3.543 3.960 0.002 0.000 0.244 405 G C 0.614 175.487 174.900 -0.046 0.000 0.982 405 G CA 0.405 45.396 45.100 -0.182 0.000 0.641 405 G HN 0.837 nan 8.290 nan 0.000 0.527 406 Y N 2.167 122.401 120.300 -0.111 0.000 2.274 406 Y HA 0.244 4.795 4.550 0.002 0.000 0.290 406 Y C 1.632 177.474 175.900 -0.097 0.000 1.145 406 Y CA 2.190 60.261 58.100 -0.047 0.000 1.203 406 Y CB 0.230 38.740 38.460 0.083 0.000 0.984 406 Y HN 0.730 nan 8.280 nan 0.000 0.533 407 S N 0.752 116.456 115.700 0.006 0.000 2.571 407 S HA 0.676 5.147 4.470 0.002 0.000 0.284 407 S C -0.828 173.690 174.600 -0.138 0.000 1.128 407 S CA -0.728 57.397 58.200 -0.125 0.000 0.970 407 S CB 1.658 64.771 63.200 -0.145 0.000 1.039 407 S HN 0.327 nan 8.310 nan 0.000 0.485 408 M N 0.699 120.215 119.600 -0.140 0.000 2.534 408 M HA 0.818 5.299 4.480 0.002 0.000 0.280 408 M C -1.591 174.652 176.300 -0.094 0.000 1.217 408 M CA -0.811 54.418 55.300 -0.119 0.000 0.893 408 M CB 2.093 34.638 32.600 -0.092 0.000 1.730 408 M HN 0.571 nan 8.290 nan 0.000 0.483 409 K N 0.833 121.180 120.400 -0.088 0.000 2.502 409 K HA 0.944 5.265 4.320 0.002 0.000 0.257 409 K C -1.442 175.213 176.600 0.093 0.000 0.938 409 K CA -0.058 56.209 56.287 -0.034 0.000 0.819 409 K CB 2.610 35.043 32.500 -0.112 0.000 1.333 409 K HN 1.132 nan 8.250 nan 0.000 0.434 410 G N 0.783 109.744 108.800 0.269 0.000 2.717 410 G HA2 0.603 4.564 3.960 0.002 0.000 0.300 410 G HA3 0.603 4.564 3.960 0.002 0.000 0.300 410 G C -0.706 174.349 174.900 0.258 0.000 1.424 410 G CA -0.020 45.346 45.100 0.444 0.000 1.033 410 G HN 1.137 nan 8.290 nan 0.000 0.577 411 A N 0.879 123.787 122.820 0.147 0.000 2.409 411 A HA 0.427 4.748 4.320 0.002 0.000 0.218 411 A C 0.711 178.203 177.584 -0.153 0.000 2.875 411 A CA 1.313 53.355 52.037 0.007 0.000 1.543 411 A CB -0.637 18.394 19.000 0.052 0.000 0.268 411 A HN 2.221 nan 8.150 nan 0.000 0.536 412 T N -1.307 112.984 114.554 -0.438 0.000 2.885 412 T HA 0.583 4.934 4.350 0.002 0.000 0.285 412 T C -0.993 173.276 174.700 -0.719 0.000 1.019 412 T CA 0.164 61.913 62.100 -0.586 0.000 1.010 412 T CB 1.834 70.300 68.868 -0.671 0.000 1.022 412 T HN 0.247 nan 8.240 nan 0.000 0.466 413 D N 2.182 122.303 120.400 -0.464 0.000 2.396 413 D HA 0.257 4.898 4.640 0.002 0.000 0.225 413 D C 0.911 176.942 176.300 -0.448 0.000 1.121 413 D CA -0.710 53.061 54.000 -0.381 0.000 0.853 413 D CB 0.425 41.074 40.800 -0.251 0.000 1.043 413 D HN 0.583 nan 8.370 nan 0.000 0.500 414 I N 2.682 122.959 120.570 -0.489 0.000 2.353 414 I HA -0.092 4.079 4.170 0.002 0.000 0.248 414 I C 0.605 176.045 176.117 -1.128 0.000 1.119 414 I CA 0.831 61.753 61.300 -0.631 0.000 1.417 414 I CB 0.037 37.772 38.000 -0.442 0.000 1.078 414 I HN 0.560 nan 8.210 nan 0.000 0.421 415 D N -0.550 119.289 120.400 -0.936 0.000 2.496 415 D HA 0.087 4.728 4.640 0.002 0.000 0.283 415 D C 1.129 177.161 176.300 -0.447 0.000 1.214 415 D CA -0.268 53.143 54.000 -0.982 0.000 1.089 415 D CB 0.354 41.036 40.800 -0.196 0.000 1.141 415 D HN -0.204 nan 8.370 nan 0.000 0.580 416 K N -0.326 119.980 120.400 -0.157 0.000 1.967 416 K HA -0.007 4.314 4.320 0.002 0.000 0.212 416 K C 0.360 176.912 176.600 -0.080 0.000 1.044 416 K CA 1.228 57.474 56.287 -0.067 0.000 0.942 416 K CB -1.280 31.245 32.500 0.041 0.000 0.726 416 K HN 0.694 nan 8.250 nan 0.000 0.440 417 N N 0.237 118.919 118.700 -0.029 0.000 2.187 417 N HA -0.105 4.636 4.740 0.002 0.000 0.236 417 N C 0.850 176.275 175.510 -0.143 0.000 1.244 417 N CA 1.096 54.124 53.050 -0.036 0.000 0.850 417 N CB 0.026 38.569 38.487 0.094 0.000 1.090 417 N HN 0.213 nan 8.380 nan 0.000 0.450 418 G N -1.095 107.525 108.800 -0.299 0.000 3.124 418 G HA2 0.044 4.006 3.960 0.002 0.000 0.212 418 G HA3 0.044 4.006 3.960 0.002 0.000 0.212 418 G C -0.639 173.933 174.900 -0.547 0.000 1.181 418 G CA -0.105 44.738 45.100 -0.428 0.000 0.803 418 G HN 0.599 nan 8.290 nan 0.000 0.529 419 Y N -0.345 119.920 120.300 -0.057 0.000 2.377 419 Y HA 0.385 4.936 4.550 0.002 0.000 0.339 419 Y C -1.777 174.079 175.900 -0.073 0.000 1.011 419 Y CA -2.578 55.489 58.100 -0.054 0.000 1.093 419 Y CB 1.663 40.097 38.460 -0.043 0.000 1.201 419 Y HN -0.077 nan 8.280 nan 0.000 0.455 420 P HA -0.058 nan 4.420 nan 0.000 0.288 420 P C -0.771 176.538 177.300 0.017 0.000 1.320 420 P CA 0.631 63.726 63.100 -0.008 0.000 0.862 420 P CB 0.533 32.247 31.700 0.024 0.000 1.369 421 D N -2.977 117.447 120.400 0.040 0.000 2.713 421 D HA 0.505 5.146 4.640 0.002 0.000 0.306 421 D C -1.532 174.943 176.300 0.291 0.000 1.299 421 D CA -0.120 53.973 54.000 0.156 0.000 0.823 421 D CB 1.097 41.984 40.800 0.145 0.000 1.353 421 D HN 0.094 nan 8.370 nan 0.000 0.447 422 L N 0.711 122.152 121.223 0.363 0.000 2.526 422 L HA 0.546 4.887 4.340 0.002 0.000 0.263 422 L C -1.822 175.195 176.870 0.244 0.000 0.943 422 L CA -0.339 54.700 54.840 0.331 0.000 0.859 422 L CB 1.738 43.977 42.059 0.300 0.000 1.313 422 L HN 0.391 nan 8.230 nan 0.000 0.406 423 I N 5.320 125.931 120.570 0.067 0.000 2.406 423 I HA 0.612 4.783 4.170 0.002 0.000 0.290 423 I C -0.732 175.337 176.117 -0.081 0.000 0.999 423 I CA -0.971 60.285 61.300 -0.074 0.000 1.124 423 I CB 1.843 39.670 38.000 -0.288 0.000 1.289 423 I HN 0.272 nan 8.210 nan 0.000 0.441 424 V N 3.932 123.780 119.914 -0.109 0.000 2.715 424 V HA 0.759 4.880 4.120 0.002 0.000 0.310 424 V C 0.356 176.298 176.094 -0.253 0.000 1.054 424 V CA -0.612 61.556 62.300 -0.220 0.000 0.928 424 V CB 1.927 33.547 31.823 -0.337 0.000 1.007 424 V HN 0.910 nan 8.190 nan 0.000 0.437 425 G N 1.668 110.313 108.800 -0.258 0.000 2.675 425 G HA2 0.618 4.579 3.960 0.002 0.000 0.297 425 G HA3 0.618 4.579 3.960 0.002 0.000 0.297 425 G C -0.397 174.473 174.900 -0.050 0.000 1.399 425 G CA -0.223 44.795 45.100 -0.136 0.000 0.981 425 G HN 1.104 nan 8.290 nan 0.000 0.519 426 A N 2.969 125.794 122.820 0.008 0.000 2.736 426 A HA 0.499 4.820 4.320 0.002 0.000 0.335 426 A C 0.532 178.182 177.584 0.110 0.000 1.446 426 A CA -0.817 51.281 52.037 0.101 0.000 1.028 426 A CB -0.469 18.703 19.000 0.287 0.000 1.154 426 A HN 1.259 nan 8.150 nan 0.000 0.507 427 F N 0.668 120.604 119.950 -0.023 0.000 2.804 427 F HA 0.329 4.858 4.527 0.002 0.000 0.303 427 F C 1.217 176.971 175.800 -0.078 0.000 1.154 427 F CA 0.325 58.306 58.000 -0.032 0.000 1.401 427 F CB -0.009 38.968 39.000 -0.039 0.000 1.106 427 F HN 0.351 nan 8.300 nan 0.000 0.568 428 G N 0.602 109.195 108.800 -0.345 0.000 2.744 428 G HA2 0.073 4.034 3.960 0.002 0.000 0.211 428 G HA3 0.073 4.034 3.960 0.002 0.000 0.211 428 G C 0.990 175.860 174.900 -0.050 0.000 1.146 428 G CA 0.798 45.733 45.100 -0.274 0.000 0.787 428 G HN 0.451 nan 8.290 nan 0.000 0.534 429 V N -2.738 117.168 119.914 -0.013 0.000 3.276 429 V HA 0.244 4.366 4.120 0.002 0.000 0.319 429 V C -0.309 175.754 176.094 -0.052 0.000 1.427 429 V CA -0.519 61.769 62.300 -0.021 0.000 1.102 429 V CB -0.253 31.553 31.823 -0.028 0.000 1.020 429 V HN 0.141 nan 8.190 nan 0.000 0.456 430 D N 2.397 122.837 120.400 0.067 0.000 3.082 430 D HA -0.177 4.464 4.640 0.002 0.000 0.234 430 D C 0.264 176.691 176.300 0.210 0.000 1.159 430 D CA 1.393 55.509 54.000 0.194 0.000 0.875 430 D CB -0.496 40.383 40.800 0.131 0.000 0.946 430 D HN 0.917 nan 8.370 nan 0.000 0.411 431 R N -1.526 119.163 120.500 0.315 0.000 2.690 431 R HA 0.867 5.208 4.340 0.002 0.000 0.269 431 R C -1.477 174.982 176.300 0.265 0.000 1.037 431 R CA -1.151 55.152 56.100 0.338 0.000 0.877 431 R CB 1.254 31.450 30.300 -0.174 0.000 1.255 431 R HN 0.135 nan 8.270 nan 0.000 0.467 432 A N 1.718 124.737 122.820 0.331 0.000 2.435 432 A HA 0.847 5.168 4.320 0.002 0.000 0.304 432 A C -0.967 176.704 177.584 0.144 0.000 1.064 432 A CA -0.925 51.183 52.037 0.118 0.000 0.727 432 A CB 1.286 20.282 19.000 -0.007 0.000 1.284 432 A HN 0.620 nan 8.150 nan 0.000 0.415 433 I N 1.594 122.164 120.570 0.001 0.000 2.608 433 I HA 0.391 4.562 4.170 0.002 0.000 0.295 433 I C -0.999 174.983 176.117 -0.224 0.000 1.049 433 I CA -0.778 60.447 61.300 -0.126 0.000 1.063 433 I CB 1.965 39.838 38.000 -0.212 0.000 1.248 433 I HN 0.405 nan 8.210 nan 0.000 0.424 434 L N 6.020 127.110 121.223 -0.221 0.000 2.287 434 L HA 0.458 4.799 4.340 0.002 0.000 0.287 434 L C -1.370 175.405 176.870 -0.159 0.000 1.022 434 L CA -0.326 54.474 54.840 -0.067 0.000 0.814 434 L CB 0.893 43.042 42.059 0.149 0.000 1.217 434 L HN 0.550 nan 8.230 nan 0.000 0.420 435 Y N 4.669 125.062 120.300 0.153 0.000 2.369 435 Y HA 0.399 4.950 4.550 0.001 0.000 0.337 435 Y C 0.384 176.360 175.900 0.128 0.000 0.961 435 Y CA -0.800 57.377 58.100 0.128 0.000 1.186 435 Y CB 1.220 39.748 38.460 0.113 0.000 1.139 435 Y HN 0.427 nan 8.280 nan 0.000 0.494 436 R N 2.458 123.122 120.500 0.273 0.000 2.265 436 R HA 0.558 4.900 4.340 0.002 0.000 0.314 436 R C -0.165 176.215 176.300 0.133 0.000 1.053 436 R CA -0.583 55.636 56.100 0.197 0.000 0.931 436 R CB 0.916 31.334 30.300 0.197 0.000 1.024 436 R HN 0.682 nan 8.270 nan 0.000 0.457 437 A N 3.951 126.829 122.820 0.096 0.000 2.425 437 A HA 0.242 4.563 4.320 0.002 0.000 0.249 437 A C 0.019 177.590 177.584 -0.023 0.000 1.084 437 A CA -0.321 51.721 52.037 0.008 0.000 0.781 437 A CB 0.388 19.398 19.000 0.016 0.000 1.019 437 A HN 0.707 nan 8.150 nan 0.000 0.490 438 R N 1.748 122.158 120.500 -0.150 0.000 2.573 438 R HA 0.466 4.807 4.340 0.002 0.000 0.272 438 R C -2.722 173.346 176.300 -0.385 0.000 1.009 438 R CA -1.759 54.247 56.100 -0.157 0.000 1.059 438 R CB 0.274 30.496 30.300 -0.129 0.000 1.112 438 R HN 0.415 nan 8.270 nan 0.000 0.517 439 P HA 0.009 nan 4.420 nan 0.000 0.271 439 P C -0.897 176.243 177.300 -0.267 0.000 1.216 439 P CA -0.052 62.929 63.100 -0.198 0.000 0.771 439 P CB 0.644 32.413 31.700 0.116 0.000 0.864 440 V N 6.069 125.793 119.914 -0.316 0.000 2.304 440 V HA 0.229 4.350 4.120 0.002 0.000 0.269 440 V C 0.438 176.588 176.094 0.094 0.000 1.036 440 V CA -0.303 61.946 62.300 -0.086 0.000 0.840 440 V CB 0.044 31.825 31.823 -0.071 0.000 1.036 440 V HN 0.397 nan 8.190 nan 0.000 0.466 441 I N 4.542 125.183 120.570 0.118 0.000 2.352 441 I HA 0.323 4.494 4.170 0.002 0.000 0.290 441 I C 0.739 176.970 176.117 0.191 0.000 1.036 441 I CA 0.069 61.466 61.300 0.162 0.000 1.336 441 I CB 1.338 39.444 38.000 0.177 0.000 1.407 441 I HN 0.598 nan 8.210 nan 0.000 0.497 442 T N 5.059 119.716 114.554 0.172 0.000 2.829 442 T HA 0.607 4.958 4.350 0.002 0.000 0.282 442 T C -0.809 173.977 174.700 0.143 0.000 0.990 442 T CA -0.643 61.551 62.100 0.157 0.000 1.028 442 T CB 1.741 70.687 68.868 0.131 0.000 0.951 442 T HN 0.397 nan 8.240 nan 0.000 0.460 443 V N 4.905 124.895 119.914 0.126 0.000 2.623 443 V HA 0.497 4.618 4.120 0.002 0.000 0.304 443 V C -0.789 175.278 176.094 -0.043 0.000 1.054 443 V CA -0.891 61.423 62.300 0.023 0.000 0.882 443 V CB 1.718 33.522 31.823 -0.030 0.000 1.002 443 V HN 1.086 nan 8.190 nan 0.000 0.424 444 N N 4.477 123.122 118.700 -0.091 0.000 2.498 444 N HA 0.649 5.390 4.740 0.002 0.000 0.287 444 N C 0.424 175.809 175.510 -0.209 0.000 1.097 444 N CA 0.132 53.130 53.050 -0.087 0.000 0.973 444 N CB 2.257 40.715 38.487 -0.048 0.000 1.153 444 N HN 0.839 nan 8.380 nan 0.000 0.472 445 A N 1.796 124.516 122.820 -0.167 0.000 3.280 445 A HA 0.730 5.051 4.320 0.002 0.000 0.203 445 A C 0.508 178.019 177.584 -0.121 0.000 2.143 445 A CA 0.497 52.396 52.037 -0.231 0.000 1.168 445 A CB -0.674 18.257 19.000 -0.115 0.000 1.267 445 A HN 0.810 nan 8.150 nan 0.000 0.436 446 G N -1.261 107.513 108.800 -0.045 0.000 3.421 446 G HA2 0.393 4.354 3.960 0.002 0.000 0.686 446 G HA3 0.393 4.354 3.960 0.002 0.000 0.686 446 G C -0.910 173.992 174.900 0.003 0.000 1.056 446 G CA -0.004 45.086 45.100 -0.018 0.000 0.891 446 G HN 1.854 nan 8.290 nan 0.000 0.514 447 L N 0.336 121.578 121.223 0.031 0.000 2.505 447 L HA 1.009 5.350 4.340 0.002 0.000 0.259 447 L C -0.791 176.108 176.870 0.048 0.000 0.952 447 L CA -0.779 54.094 54.840 0.054 0.000 0.840 447 L CB 2.221 44.333 42.059 0.090 0.000 1.358 447 L HN 0.706 nan 8.230 nan 0.000 0.409 448 E N 1.993 122.215 120.200 0.036 0.000 2.378 448 E HA 0.394 4.745 4.350 0.002 0.000 0.283 448 E C -1.903 174.697 176.600 0.000 0.000 0.979 448 E CA -0.688 55.736 56.400 0.040 0.000 0.795 448 E CB 2.943 32.677 29.700 0.056 0.000 1.221 448 E HN 0.549 nan 8.360 nan 0.000 0.428 449 V N 4.757 124.701 119.914 0.050 0.000 2.509 449 V HA 0.286 4.407 4.120 0.002 0.000 0.284 449 V C 0.184 176.369 176.094 0.151 0.000 1.047 449 V CA 0.201 62.547 62.300 0.076 0.000 0.952 449 V CB 0.554 32.487 31.823 0.183 0.000 0.988 449 V HN 0.791 nan 8.190 nan 0.000 0.469 450 Y N 4.429 124.826 120.300 0.160 0.000 2.285 450 Y HA 0.021 4.572 4.550 0.002 0.000 0.227 450 Y C -1.022 174.953 175.900 0.124 0.000 1.003 450 Y CA 0.353 58.528 58.100 0.124 0.000 1.003 450 Y CB -0.929 37.595 38.460 0.107 0.000 0.994 450 Y HN 0.480 nan 8.280 nan 0.000 0.500 451 P HA -0.007 nan 4.420 nan 0.000 0.271 451 P C -0.080 177.311 177.300 0.152 0.000 1.220 451 P CA 0.645 63.863 63.100 0.196 0.000 0.768 451 P CB 1.402 33.212 31.700 0.183 0.000 0.848 452 S N 2.740 118.490 115.700 0.083 0.000 2.456 452 S HA 0.089 4.560 4.470 0.002 0.000 0.224 452 S C 0.729 175.297 174.600 -0.054 0.000 1.035 452 S CA 0.208 58.423 58.200 0.025 0.000 0.940 452 S CB -0.130 63.089 63.200 0.032 0.000 0.799 452 S HN 0.241 nan 8.310 nan 0.000 0.508 453 I N 2.746 123.284 120.570 -0.052 0.000 2.331 453 I HA 0.383 4.554 4.170 0.002 0.000 0.292 453 I C -0.610 175.481 176.117 -0.043 0.000 0.998 453 I CA -0.272 60.978 61.300 -0.083 0.000 1.267 453 I CB 1.569 39.532 38.000 -0.062 0.000 1.386 453 I HN 0.182 nan 8.210 nan 0.000 0.476 454 L N 6.368 127.555 121.223 -0.060 0.000 2.307 454 L HA 0.505 4.846 4.340 0.002 0.000 0.284 454 L C -0.052 176.825 176.870 0.011 0.000 1.023 454 L CA -0.546 54.272 54.840 -0.036 0.000 0.810 454 L CB 0.794 42.784 42.059 -0.115 0.000 1.231 454 L HN 0.545 nan 8.230 nan 0.000 0.423 455 N N 2.766 121.486 118.700 0.033 0.000 2.457 455 N HA 0.112 4.853 4.740 0.002 0.000 0.250 455 N C 0.451 175.994 175.510 0.055 0.000 0.982 455 N CA -0.524 52.550 53.050 0.040 0.000 0.941 455 N CB 1.830 40.339 38.487 0.036 0.000 1.120 455 N HN 0.675 nan 8.380 nan 0.000 0.505 456 Q N 0.973 120.808 119.800 0.059 0.000 2.112 456 Q HA -0.149 4.192 4.340 0.002 0.000 0.206 456 Q C -0.234 175.801 176.000 0.058 0.000 0.987 456 Q CA 1.476 57.324 55.803 0.075 0.000 0.858 456 Q CB -0.074 28.702 28.738 0.063 0.000 0.905 456 Q HN 0.556 nan 8.270 nan 0.000 0.420 457 D N 1.394 121.817 120.400 0.038 0.000 3.057 457 D HA 0.062 4.703 4.640 0.002 0.000 0.246 457 D C -0.430 175.887 176.300 0.028 0.000 1.238 457 D CA 0.022 54.038 54.000 0.027 0.000 0.949 457 D CB -0.391 40.418 40.800 0.015 0.000 1.086 457 D HN 0.056 nan 8.370 nan 0.000 0.487 458 N N 1.611 120.334 118.700 0.039 0.000 2.372 458 N HA 0.184 4.925 4.740 0.002 0.000 0.285 458 N C -1.069 174.462 175.510 0.036 0.000 1.008 458 N CA -0.672 52.402 53.050 0.041 0.000 0.880 458 N CB 0.961 39.484 38.487 0.059 0.000 1.239 458 N HN -0.044 nan 8.380 nan 0.000 0.484 459 K N 1.182 121.597 120.400 0.025 0.000 2.473 459 K HA 0.447 4.768 4.320 0.002 0.000 0.246 459 K C -0.088 176.521 176.600 0.014 0.000 1.011 459 K CA -0.637 55.658 56.287 0.014 0.000 0.984 459 K CB 0.889 33.392 32.500 0.006 0.000 1.250 459 K HN 0.501 nan 8.250 nan 0.000 0.454 460 T N -2.236 112.328 114.554 0.016 0.000 3.100 460 T HA 0.155 4.506 4.350 0.002 0.000 0.255 460 T C 0.235 174.939 174.700 0.007 0.000 0.893 460 T CA -0.096 62.014 62.100 0.017 0.000 0.882 460 T CB -0.003 68.884 68.868 0.032 0.000 1.266 460 T HN 0.504 nan 8.240 nan 0.000 0.528 461 c N 3.276 121.874 118.600 -0.003 0.000 2.322 461 c HA 0.781 5.352 4.570 0.002 0.000 0.324 461 c C 0.491 174.542 174.090 -0.065 0.000 1.249 461 c CA -0.836 55.477 56.329 -0.027 0.000 1.453 461 c CB 0.453 42.950 42.510 -0.022 0.000 2.145 461 c HN 0.479 nan 8.230 nan 0.000 0.466 462 S N 2.692 118.354 115.700 -0.063 0.000 2.549 462 S HA 0.261 4.732 4.470 0.002 0.000 0.283 462 S C 0.291 174.816 174.600 -0.124 0.000 1.320 462 S CA -0.453 57.700 58.200 -0.079 0.000 1.058 462 S CB 0.263 63.434 63.200 -0.048 0.000 0.882 462 S HN 0.558 nan 8.310 nan 0.000 0.498 463 L N 5.309 126.442 121.223 -0.151 0.000 2.472 463 L HA 0.156 4.498 4.340 0.002 0.000 0.273 463 L C -0.799 175.995 176.870 -0.125 0.000 1.254 463 L CA -0.823 53.902 54.840 -0.192 0.000 0.823 463 L CB -0.257 41.679 42.059 -0.204 0.000 1.096 463 L HN 0.428 nan 8.230 nan 0.000 0.521 464 P HA -0.070 nan 4.420 nan 0.000 0.206 464 P C 1.273 178.568 177.300 -0.008 0.000 1.209 464 P CA 1.663 64.740 63.100 -0.038 0.000 0.923 464 P CB -0.139 31.564 31.700 0.006 0.000 0.761 465 G N -0.048 108.751 108.800 -0.001 0.000 2.545 465 G HA2 -0.163 3.798 3.960 0.002 0.000 0.217 465 G HA3 -0.163 3.798 3.960 0.002 0.000 0.217 465 G C 0.983 175.879 174.900 -0.007 0.000 1.218 465 G CA 2.173 47.276 45.100 0.005 0.000 0.787 465 G HN 0.524 nan 8.290 nan 0.000 0.571 466 T N -2.041 112.499 114.554 -0.023 0.000 2.833 466 T HA 0.582 4.933 4.350 0.002 0.000 0.292 466 T C 0.370 175.047 174.700 -0.038 0.000 1.031 466 T CA 0.065 62.148 62.100 -0.028 0.000 0.937 466 T CB 1.676 70.524 68.868 -0.033 0.000 1.256 466 T HN 0.706 nan 8.240 nan 0.000 0.551 467 A N 0.664 123.462 122.820 -0.036 0.000 2.956 467 A HA 0.522 4.843 4.320 0.002 0.000 0.294 467 A C 0.125 177.682 177.584 -0.044 0.000 0.993 467 A CA -0.702 51.312 52.037 -0.038 0.000 1.032 467 A CB -0.616 18.370 19.000 -0.022 0.000 1.129 467 A HN 0.698 nan 8.150 nan 0.000 0.505 468 L N 0.974 122.159 121.223 -0.063 0.000 2.328 468 L HA 0.282 4.623 4.340 0.002 0.000 0.280 468 L C -0.333 176.491 176.870 -0.077 0.000 1.111 468 L CA -0.886 53.916 54.840 -0.063 0.000 0.909 468 L CB -0.051 41.965 42.059 -0.071 0.000 1.277 468 L HN 0.125 nan 8.230 nan 0.000 0.433 469 K N 1.940 122.308 120.400 -0.053 0.000 2.477 469 K HA 0.073 4.394 4.320 0.002 0.000 0.275 469 K C -0.190 176.381 176.600 -0.049 0.000 1.054 469 K CA 0.351 56.611 56.287 -0.046 0.000 1.135 469 K CB 0.461 32.947 32.500 -0.023 0.000 0.854 469 K HN 0.337 nan 8.250 nan 0.000 0.484 470 V N 1.692 121.571 119.914 -0.059 0.000 3.074 470 V HA 0.364 4.485 4.120 0.002 0.000 0.314 470 V C -0.534 175.576 176.094 0.026 0.000 1.117 470 V CA -0.918 61.357 62.300 -0.043 0.000 1.014 470 V CB 2.330 34.063 31.823 -0.151 0.000 1.057 470 V HN 0.767 nan 8.190 nan 0.000 0.438 471 S N 3.720 119.467 115.700 0.077 0.000 2.519 471 S HA 0.084 4.555 4.470 0.002 0.000 0.310 471 S C 0.032 174.754 174.600 0.203 0.000 1.201 471 S CA -0.143 58.132 58.200 0.126 0.000 1.179 471 S CB -1.132 62.147 63.200 0.131 0.000 1.104 471 S HN 0.876 nan 8.310 nan 0.000 0.527 472 c N 5.758 124.462 118.600 0.172 0.000 2.580 472 c HA 0.831 5.402 4.570 0.002 0.000 0.371 472 c C -0.346 173.935 174.090 0.320 0.000 1.308 472 c CA -0.359 56.087 56.329 0.195 0.000 2.428 472 c CB -0.407 42.170 42.510 0.112 0.000 2.529 472 c HN 0.917 nan 8.230 nan 0.000 0.657 473 F N 2.594 122.601 119.950 0.095 0.000 2.656 473 F HA 0.396 4.924 4.527 0.002 0.000 0.317 473 F C -1.341 174.527 175.800 0.113 0.000 1.016 473 F CA -0.927 57.134 58.000 0.101 0.000 1.097 473 F CB -0.292 38.740 39.000 0.053 0.000 1.360 473 F HN 0.489 nan 8.300 nan 0.000 0.593 474 N N 2.165 120.912 118.700 0.078 0.000 2.443 474 N HA 0.775 5.516 4.740 0.002 0.000 0.293 474 N C -1.629 173.779 175.510 -0.170 0.000 1.159 474 N CA -0.995 52.013 53.050 -0.071 0.000 0.904 474 N CB 2.515 41.127 38.487 0.208 0.000 1.214 474 N HN 0.675 nan 8.380 nan 0.000 0.513 475 V N 0.946 120.732 119.914 -0.214 0.000 2.623 475 V HA 0.614 4.735 4.120 0.002 0.000 0.304 475 V C -1.449 174.577 176.094 -0.112 0.000 1.054 475 V CA -0.737 61.468 62.300 -0.160 0.000 0.882 475 V CB 1.161 33.016 31.823 0.053 0.000 1.002 475 V HN 0.817 nan 8.190 nan 0.000 0.424 476 R N 5.854 126.237 120.500 -0.196 0.000 2.494 476 R HA 0.764 5.105 4.340 0.002 0.000 0.305 476 R C -1.118 175.222 176.300 0.067 0.000 0.959 476 R CA -0.586 55.477 56.100 -0.061 0.000 0.864 476 R CB 1.538 31.714 30.300 -0.207 0.000 1.159 476 R HN 0.633 nan 8.270 nan 0.000 0.446 477 F N 0.287 120.189 119.950 -0.080 0.000 2.507 477 F HA 0.869 5.397 4.527 0.002 0.000 0.327 477 F C -0.450 175.302 175.800 -0.079 0.000 1.068 477 F CA -1.158 56.802 58.000 -0.067 0.000 0.965 477 F CB 1.590 40.561 39.000 -0.048 0.000 1.192 477 F HN 0.662 nan 8.300 nan 0.000 0.476 478 c N 3.809 122.323 118.600 -0.142 0.000 3.320 478 c HA 0.881 5.452 4.570 0.002 0.000 0.335 478 c C -1.491 172.477 174.090 -0.203 0.000 1.430 478 c CA -0.870 55.316 56.329 -0.240 0.000 1.271 478 c CB 1.688 44.080 42.510 -0.196 0.000 1.609 478 c HN 1.231 nan 8.230 nan 0.000 0.457 479 L N 1.401 122.483 121.223 -0.234 0.000 2.789 479 L HA 0.591 4.932 4.340 0.002 0.000 0.254 479 L C -1.721 175.005 176.870 -0.240 0.000 0.952 479 L CA -0.670 53.990 54.840 -0.300 0.000 0.942 479 L CB 1.451 43.185 42.059 -0.542 0.000 1.502 479 L HN 0.913 nan 8.230 nan 0.000 0.425 480 K N 2.133 122.412 120.400 -0.201 0.000 2.259 480 K HA 0.978 5.299 4.320 0.002 0.000 0.249 480 K C -1.048 175.499 176.600 -0.088 0.000 0.942 480 K CA -0.373 55.851 56.287 -0.105 0.000 0.816 480 K CB 2.595 35.060 32.500 -0.058 0.000 1.155 480 K HN 0.967 nan 8.250 nan 0.000 0.428 481 A N 2.354 125.187 122.820 0.021 0.000 2.547 481 A HA 0.328 4.649 4.320 0.002 0.000 0.279 481 A C -1.919 175.740 177.584 0.125 0.000 1.088 481 A CA -0.698 51.406 52.037 0.111 0.000 0.796 481 A CB 1.066 20.254 19.000 0.313 0.000 1.308 481 A HN 0.760 nan 8.150 nan 0.000 0.415 482 D N 1.865 122.324 120.400 0.098 0.000 2.278 482 D HA 0.633 5.274 4.640 0.002 0.000 0.245 482 D C 0.938 177.301 176.300 0.106 0.000 1.052 482 D CA 0.789 54.842 54.000 0.089 0.000 0.834 482 D CB 1.862 42.700 40.800 0.062 0.000 1.194 482 D HN 0.553 nan 8.370 nan 0.000 0.481 483 G N 2.053 110.917 108.800 0.106 0.000 2.873 483 G HA2 0.267 4.228 3.960 0.002 0.000 0.170 483 G HA3 0.267 4.228 3.960 0.002 0.000 0.170 483 G C -0.088 174.889 174.900 0.130 0.000 1.608 483 G CA -0.200 44.978 45.100 0.130 0.000 1.084 483 G HN 0.488 nan 8.290 nan 0.000 0.563 484 K N -1.221 119.270 120.400 0.151 0.000 3.409 484 K HA 0.354 4.675 4.320 0.002 0.000 0.141 484 K C -0.143 176.446 176.600 -0.019 0.000 0.943 484 K CA 0.460 56.803 56.287 0.094 0.000 0.969 484 K CB -0.352 32.232 32.500 0.141 0.000 0.637 484 K HN 1.091 nan 8.250 nan 0.000 0.386 485 G N -0.326 108.473 108.800 -0.001 0.000 2.356 485 G HA2 0.171 4.132 3.960 0.002 0.000 0.281 485 G HA3 0.171 4.132 3.960 0.002 0.000 0.281 485 G C -1.471 173.433 174.900 0.007 0.000 1.246 485 G CA -0.589 44.443 45.100 -0.112 0.000 0.889 485 G HN -0.051 nan 8.290 nan 0.000 0.486 486 V N 2.102 122.026 119.914 0.017 0.000 2.390 486 V HA 0.432 4.553 4.120 0.002 0.000 0.260 486 V C 1.176 177.321 176.094 0.086 0.000 1.043 486 V CA 1.492 63.818 62.300 0.044 0.000 1.047 486 V CB -0.562 31.282 31.823 0.035 0.000 1.066 486 V HN 1.134 nan 8.190 nan 0.000 0.481 487 L N 2.222 123.487 121.223 0.070 0.000 1.537 487 L HA 0.424 4.765 4.340 0.002 0.000 0.162 487 L C -2.006 174.891 176.870 0.046 0.000 1.295 487 L CA -0.418 54.462 54.840 0.067 0.000 1.245 487 L CB -0.757 41.359 42.059 0.095 0.000 2.567 487 L HN 0.387 nan 8.230 nan 0.000 0.494 488 P HA 0.018 nan 4.420 nan 0.000 0.277 488 P C 0.026 177.342 177.300 0.027 0.000 1.388 488 P CA 0.429 63.553 63.100 0.039 0.000 1.019 488 P CB 0.177 31.901 31.700 0.040 0.000 1.111 489 R N -2.295 118.222 120.500 0.027 0.000 3.789 489 R HA -0.197 4.144 4.340 0.002 0.000 0.414 489 R C 0.543 176.854 176.300 0.018 0.000 0.593 489 R CA 2.368 58.480 56.100 0.021 0.000 1.562 489 R CB -2.253 28.057 30.300 0.017 0.000 2.091 489 R HN 0.806 nan 8.270 nan 0.000 0.382 490 K N 0.328 120.734 120.400 0.011 0.000 3.257 490 K HA 0.354 4.676 4.320 0.002 0.000 0.196 490 K C -0.226 176.354 176.600 -0.034 0.000 1.089 490 K CA -0.400 55.887 56.287 -0.000 0.000 0.959 490 K CB 0.118 32.618 32.500 -0.000 0.000 0.719 490 K HN -0.004 nan 8.250 nan 0.000 0.446 491 L N 3.282 124.486 121.223 -0.031 0.000 2.704 491 L HA 0.082 4.423 4.340 0.002 0.000 0.279 491 L C -0.595 176.160 176.870 -0.192 0.000 1.147 491 L CA -0.188 54.562 54.840 -0.149 0.000 0.994 491 L CB -0.922 41.133 42.059 -0.007 0.000 1.332 491 L HN 0.438 nan 8.230 nan 0.000 0.471 492 N N 3.242 121.777 118.700 -0.275 0.000 2.425 492 N HA 0.507 5.248 4.740 0.002 0.000 0.268 492 N C -1.003 174.345 175.510 -0.270 0.000 0.991 492 N CA -0.415 52.547 53.050 -0.148 0.000 0.931 492 N CB 0.872 39.323 38.487 -0.061 0.000 1.130 492 N HN 0.126 nan 8.380 nan 0.000 0.493 493 F N -0.077 119.895 119.950 0.036 0.000 2.480 493 F HA 0.355 4.883 4.527 0.002 0.000 0.329 493 F C 0.631 176.464 175.800 0.055 0.000 1.091 493 F CA -0.848 57.188 58.000 0.059 0.000 0.972 493 F CB 1.910 40.951 39.000 0.068 0.000 1.150 493 F HN 0.200 nan 8.300 nan 0.000 0.467 494 Q N 2.873 122.816 119.800 0.238 0.000 2.456 494 Q HA 0.281 4.622 4.340 0.002 0.000 0.234 494 Q C -0.489 175.595 176.000 0.141 0.000 1.061 494 Q CA -0.308 55.572 55.803 0.129 0.000 0.896 494 Q CB 1.704 30.474 28.738 0.054 0.000 1.233 494 Q HN 0.563 nan 8.270 nan 0.000 0.506 495 V N 2.660 122.649 119.914 0.126 0.000 2.997 495 V HA 0.363 4.484 4.120 0.002 0.000 0.311 495 V C -0.496 175.564 176.094 -0.057 0.000 1.066 495 V CA -0.245 62.102 62.300 0.079 0.000 1.039 495 V CB 2.005 33.902 31.823 0.122 0.000 1.081 495 V HN 0.726 nan 8.190 nan 0.000 0.467 496 E N 2.671 122.805 120.200 -0.110 0.000 2.290 496 E HA 0.553 4.904 4.350 0.002 0.000 0.274 496 E C -1.984 174.530 176.600 -0.144 0.000 0.889 496 E CA -0.419 55.904 56.400 -0.128 0.000 0.760 496 E CB 1.685 31.351 29.700 -0.055 0.000 1.206 496 E HN 0.493 nan 8.360 nan 0.000 0.419 497 L N 4.520 125.680 121.223 -0.105 0.000 2.322 497 L HA 0.602 4.943 4.340 0.002 0.000 0.281 497 L C -1.164 175.852 176.870 0.243 0.000 1.014 497 L CA -0.404 54.451 54.840 0.026 0.000 0.815 497 L CB 1.338 43.388 42.059 -0.015 0.000 1.247 497 L HN 0.600 nan 8.230 nan 0.000 0.421 498 L N 5.021 126.406 121.223 0.271 0.000 2.410 498 L HA 0.559 4.900 4.340 0.002 0.000 0.270 498 L C -1.071 175.876 176.870 0.129 0.000 0.983 498 L CA -0.635 54.346 54.840 0.235 0.000 0.822 498 L CB 1.963 44.186 42.059 0.274 0.000 1.285 498 L HN 0.373 nan 8.230 nan 0.000 0.409 499 L N 2.712 123.928 121.223 -0.012 0.000 2.282 499 L HA 0.458 4.799 4.340 0.002 0.000 0.288 499 L C -0.393 176.408 176.870 -0.115 0.000 1.033 499 L CA -0.462 54.318 54.840 -0.100 0.000 0.807 499 L CB 1.172 43.077 42.059 -0.258 0.000 1.209 499 L HN 0.623 nan 8.230 nan 0.000 0.423 500 D N 1.652 121.982 120.400 -0.116 0.000 2.872 500 D HA -0.153 4.488 4.640 0.002 0.000 0.248 500 D C 0.857 177.081 176.300 -0.127 0.000 1.104 500 D CA 0.526 54.444 54.000 -0.137 0.000 0.784 500 D CB -0.063 40.639 40.800 -0.164 0.000 1.036 500 D HN 0.553 nan 8.370 nan 0.000 0.426 501 K N 0.487 120.805 120.400 -0.138 0.000 2.217 501 K HA 0.099 4.420 4.320 0.002 0.000 0.202 501 K C 2.126 178.627 176.600 -0.164 0.000 1.051 501 K CA 0.751 56.922 56.287 -0.193 0.000 0.952 501 K CB -0.123 32.180 32.500 -0.329 0.000 0.736 501 K HN 0.530 nan 8.250 nan 0.000 0.453 502 L N 0.057 121.201 121.223 -0.132 0.000 2.265 502 L HA -0.108 4.233 4.340 0.002 0.000 0.215 502 L C 0.483 177.300 176.870 -0.089 0.000 1.117 502 L CA 0.601 55.379 54.840 -0.103 0.000 0.782 502 L CB -0.390 41.616 42.059 -0.088 0.000 0.914 502 L HN -0.045 nan 8.230 nan 0.000 0.441 503 K N 1.310 121.653 120.400 -0.095 0.000 2.338 503 K HA 0.122 4.443 4.320 0.002 0.000 0.290 503 K C 0.559 177.114 176.600 -0.075 0.000 1.069 503 K CA 0.216 56.456 56.287 -0.079 0.000 0.941 503 K CB 0.517 32.965 32.500 -0.086 0.000 1.023 503 K HN 0.123 nan 8.250 nan 0.000 0.477 504 Q N 1.693 121.457 119.800 -0.060 0.000 2.608 504 Q HA 0.032 4.373 4.340 0.002 0.000 0.400 504 Q C 0.561 176.533 176.000 -0.046 0.000 1.147 504 Q CA 0.359 56.129 55.803 -0.054 0.000 0.948 504 Q CB 0.155 28.868 28.738 -0.042 0.000 3.498 504 Q HN 0.254 nan 8.270 nan 0.000 0.481 505 K N 0.551 120.930 120.400 -0.036 0.000 2.476 505 K HA 0.057 4.378 4.320 0.002 0.000 0.196 505 K C 1.451 178.038 176.600 -0.022 0.000 1.025 505 K CA 0.318 56.588 56.287 -0.028 0.000 1.138 505 K CB -0.200 32.286 32.500 -0.022 0.000 0.860 505 K HN 0.638 nan 8.250 nan 0.000 0.515 506 G N 1.118 109.904 108.800 -0.024 0.000 2.408 506 G HA2 -0.121 3.840 3.960 0.002 0.000 0.217 506 G HA3 -0.121 3.840 3.960 0.002 0.000 0.217 506 G C 0.826 175.717 174.900 -0.014 0.000 1.150 506 G CA 0.905 45.995 45.100 -0.016 0.000 0.776 506 G HN 0.315 nan 8.290 nan 0.000 0.542 507 A N -1.281 121.524 122.820 -0.024 0.000 3.028 507 A HA -0.155 4.166 4.320 0.002 0.000 0.248 507 A C 1.080 178.648 177.584 -0.027 0.000 1.316 507 A CA 1.073 53.094 52.037 -0.026 0.000 1.003 507 A CB -2.069 16.922 19.000 -0.015 0.000 1.148 507 A HN 0.680 nan 8.150 nan 0.000 0.828 508 I N 0.640 121.194 120.570 -0.027 0.000 3.780 508 I HA 0.124 4.296 4.170 0.002 0.000 0.312 508 I C 1.113 177.177 176.117 -0.090 0.000 1.377 508 I CA 0.228 61.517 61.300 -0.019 0.000 1.224 508 I CB -0.500 37.513 38.000 0.020 0.000 1.110 508 I HN 0.297 nan 8.210 nan 0.000 0.418 509 R N 3.348 123.781 120.500 -0.111 0.000 2.413 509 R HA 0.099 4.440 4.340 0.002 0.000 0.333 509 R C 0.666 176.815 176.300 -0.252 0.000 1.074 509 R CA -0.074 55.926 56.100 -0.166 0.000 0.982 509 R CB 0.231 30.451 30.300 -0.134 0.000 0.981 509 R HN 0.315 nan 8.270 nan 0.000 0.452 510 R N 1.500 121.772 120.500 -0.380 0.000 3.351 510 R HA 0.316 4.657 4.340 0.002 0.000 0.296 510 R C -0.846 175.178 176.300 -0.460 0.000 1.427 510 R CA -0.190 55.547 56.100 -0.604 0.000 1.257 510 R CB 0.319 29.831 30.300 -1.313 0.000 1.378 510 R HN 0.391 nan 8.270 nan 0.000 0.610 511 A N 1.333 123.944 122.820 -0.349 0.000 2.465 511 A HA 0.660 4.981 4.320 0.002 0.000 0.292 511 A C -1.182 176.146 177.584 -0.426 0.000 1.041 511 A CA -0.737 51.119 52.037 -0.301 0.000 0.718 511 A CB 1.325 20.203 19.000 -0.203 0.000 1.266 511 A HN 0.291 nan 8.150 nan 0.000 0.403 512 L N 0.841 121.669 121.223 -0.658 0.000 2.403 512 L HA 0.667 5.008 4.340 0.002 0.000 0.253 512 L C -0.770 175.621 176.870 -0.797 0.000 1.045 512 L CA -0.776 53.619 54.840 -0.742 0.000 0.845 512 L CB 1.741 43.403 42.059 -0.661 0.000 1.447 512 L HN 0.698 nan 8.230 nan 0.000 0.411 513 F N 0.447 120.238 119.950 -0.266 0.000 2.380 513 F HA 0.165 4.693 4.527 0.002 0.000 0.325 513 F C 1.152 176.905 175.800 -0.078 0.000 1.136 513 F CA -0.478 57.414 58.000 -0.180 0.000 1.171 513 F CB 0.552 39.491 39.000 -0.102 0.000 1.230 513 F HN 0.299 nan 8.300 nan 0.000 0.554 514 L N 1.684 122.997 121.223 0.151 0.000 1.886 514 L HA -0.260 4.081 4.340 0.002 0.000 0.226 514 L C 2.123 178.956 176.870 -0.061 0.000 1.091 514 L CA 1.991 56.812 54.840 -0.032 0.000 0.799 514 L CB -1.061 40.722 42.059 -0.458 0.000 0.889 514 L HN 0.658 nan 8.230 nan 0.000 0.429 515 Y N -0.173 120.192 120.300 0.109 0.000 2.538 515 Y HA -0.089 4.462 4.550 0.002 0.000 0.287 515 Y C 1.050 177.007 175.900 0.096 0.000 1.157 515 Y CA 0.388 58.537 58.100 0.081 0.000 1.338 515 Y CB -0.503 37.983 38.460 0.043 0.000 0.970 515 Y HN 0.140 nan 8.280 nan 0.000 0.564 516 S N -0.497 115.351 115.700 0.247 0.000 2.614 516 S HA 0.499 4.970 4.470 0.002 0.000 0.275 516 S C -0.665 174.059 174.600 0.207 0.000 1.161 516 S CA -1.089 57.234 58.200 0.205 0.000 0.969 516 S CB 1.509 64.829 63.200 0.199 0.000 1.059 516 S HN 0.111 nan 8.310 nan 0.000 0.482 517 R N 1.871 122.471 120.500 0.166 0.000 2.207 517 R HA 0.768 5.109 4.340 0.002 0.000 0.334 517 R C -0.396 175.956 176.300 0.087 0.000 1.013 517 R CA -0.274 55.904 56.100 0.128 0.000 0.858 517 R CB 1.387 31.786 30.300 0.166 0.000 1.094 517 R HN 0.526 nan 8.270 nan 0.000 0.457 518 S N 2.105 117.835 115.700 0.050 0.000 2.744 518 S HA 0.134 4.605 4.470 0.002 0.000 0.284 518 S C -2.605 171.998 174.600 0.005 0.000 0.979 518 S CA -0.959 57.265 58.200 0.039 0.000 0.870 518 S CB 1.224 64.479 63.200 0.090 0.000 1.094 518 S HN 0.483 nan 8.310 nan 0.000 0.458 519 P HA 0.166 nan 4.420 nan 0.000 0.255 519 P C -0.256 177.082 177.300 0.064 0.000 1.357 519 P CA 0.030 63.061 63.100 -0.115 0.000 0.839 519 P CB -0.468 31.166 31.700 -0.110 0.000 1.356 520 S N -0.389 115.440 115.700 0.215 0.000 2.707 520 S HA 0.364 4.835 4.470 0.002 0.000 0.303 520 S C -0.944 173.854 174.600 0.331 0.000 1.132 520 S CA -0.724 57.641 58.200 0.274 0.000 1.046 520 S CB 1.094 64.367 63.200 0.122 0.000 1.004 520 S HN 0.175 nan 8.310 nan 0.000 0.483 521 H N 2.285 121.452 119.070 0.162 0.000 2.538 521 H HA 0.594 5.151 4.556 0.002 0.000 0.353 521 H C -1.115 174.102 175.328 -0.184 0.000 1.109 521 H CA -0.515 55.411 56.048 -0.204 0.000 1.192 521 H CB 1.897 31.080 29.762 -0.965 0.000 1.555 521 H HN 0.685 nan 8.280 nan 0.000 0.518 522 S N 3.585 118.791 115.700 -0.823 0.000 2.565 522 S HA 0.512 4.983 4.470 0.002 0.000 0.290 522 S C -0.650 173.511 174.600 -0.732 0.000 1.150 522 S CA -0.722 57.133 58.200 -0.574 0.000 1.058 522 S CB 1.774 64.793 63.200 -0.301 0.000 1.032 522 S HN 0.625 nan 8.310 nan 0.000 0.510 523 K N 1.605 121.798 120.400 -0.346 0.000 2.622 523 K HA 0.382 4.703 4.320 0.002 0.000 0.273 523 K C -2.265 174.324 176.600 -0.018 0.000 0.957 523 K CA -0.506 55.689 56.287 -0.154 0.000 0.861 523 K CB 0.962 33.445 32.500 -0.029 0.000 1.405 523 K HN 0.756 nan 8.250 nan 0.000 0.406 524 N N 2.851 121.572 118.700 0.035 0.000 2.296 524 N HA 0.593 5.334 4.740 0.002 0.000 0.294 524 N C -0.575 174.997 175.510 0.104 0.000 1.033 524 N CA -0.748 52.345 53.050 0.072 0.000 0.839 524 N CB 1.573 40.082 38.487 0.037 0.000 1.395 524 N HN 0.449 nan 8.380 nan 0.000 0.479 525 M N 0.502 120.188 119.600 0.144 0.000 2.407 525 M HA 0.625 5.106 4.480 0.002 0.000 0.235 525 M C -0.504 175.872 176.300 0.127 0.000 0.846 525 M CA -0.485 54.892 55.300 0.128 0.000 1.540 525 M CB 1.430 34.108 32.600 0.131 0.000 1.274 525 M HN 0.677 nan 8.290 nan 0.000 0.802 526 T N 0.328 114.960 114.554 0.129 0.000 2.733 526 T HA 0.692 5.043 4.350 0.002 0.000 0.312 526 T C -1.195 173.582 174.700 0.127 0.000 1.590 526 T CA -0.783 61.391 62.100 0.123 0.000 1.005 526 T CB 1.912 70.817 68.868 0.061 0.000 1.528 526 T HN 0.739 nan 8.240 nan 0.000 0.496 527 I N -2.314 118.330 120.570 0.124 0.000 3.068 527 I HA 0.735 4.906 4.170 0.002 0.000 0.318 527 I C 0.072 176.241 176.117 0.087 0.000 1.567 527 I CA -1.062 60.299 61.300 0.102 0.000 0.922 527 I CB 0.930 39.005 38.000 0.126 0.000 1.276 527 I HN 0.751 nan 8.210 nan 0.000 0.528 528 S N -0.497 115.249 115.700 0.077 0.000 6.541 528 S HA 0.153 4.624 4.470 0.002 0.000 0.087 528 S C 0.221 174.853 174.600 0.053 0.000 1.262 528 S CA -0.063 58.175 58.200 0.062 0.000 1.323 528 S CB -0.243 62.982 63.200 0.041 0.000 1.739 528 S HN 0.702 nan 8.310 nan 0.000 0.531 529 R N 1.106 121.628 120.500 0.037 0.000 2.873 529 R HA 0.330 4.671 4.340 0.002 0.000 0.267 529 R C 1.656 177.974 176.300 0.029 0.000 1.009 529 R CA 1.154 57.270 56.100 0.027 0.000 1.152 529 R CB -0.125 30.185 30.300 0.016 0.000 1.047 529 R HN 0.449 nan 8.270 nan 0.000 0.470 530 G N 0.584 109.398 108.800 0.024 0.000 2.434 530 G HA2 -0.150 3.812 3.960 0.002 0.000 0.214 530 G HA3 -0.150 3.812 3.960 0.002 0.000 0.214 530 G C 0.685 175.593 174.900 0.014 0.000 1.202 530 G CA 0.697 45.812 45.100 0.024 0.000 0.788 530 G HN 0.656 nan 8.290 nan 0.000 0.539 531 G N -0.354 108.451 108.800 0.008 0.000 4.294 531 G HA2 0.443 4.404 3.960 0.002 0.000 0.301 531 G HA3 0.443 4.404 3.960 0.002 0.000 0.301 531 G C -0.276 174.620 174.900 -0.006 0.000 1.321 531 G CA -0.330 44.770 45.100 -0.000 0.000 1.190 531 G HN 0.283 nan 8.290 nan 0.000 0.600 532 L N 2.259 123.478 121.223 -0.008 0.000 2.581 532 L HA 0.418 4.759 4.340 0.002 0.000 0.241 532 L C 0.730 177.582 176.870 -0.029 0.000 1.265 532 L CA -0.566 54.265 54.840 -0.014 0.000 0.954 532 L CB 0.385 42.441 42.059 -0.004 0.000 1.269 532 L HN 0.440 nan 8.230 nan 0.000 0.475 533 M N 1.132 120.706 119.600 -0.043 0.000 2.612 533 M HA 0.159 4.640 4.480 0.002 0.000 0.336 533 M C 0.212 176.464 176.300 -0.080 0.000 1.699 533 M CA 0.568 55.824 55.300 -0.072 0.000 1.284 533 M CB 0.083 32.637 32.600 -0.077 0.000 1.957 533 M HN 0.374 nan 8.290 nan 0.000 0.456 534 Q N 4.176 123.927 119.800 -0.082 0.000 2.307 534 Q HA 0.273 4.614 4.340 0.002 0.000 0.259 534 Q C -1.210 174.699 176.000 -0.151 0.000 0.998 534 Q CA -0.049 55.703 55.803 -0.086 0.000 0.923 534 Q CB 0.900 29.608 28.738 -0.051 0.000 1.196 534 Q HN 1.039 nan 8.270 nan 0.000 0.416 535 c N 2.987 121.483 118.600 -0.174 0.000 2.651 535 c HA 0.792 5.363 4.570 0.002 0.000 0.416 535 c C 0.026 173.904 174.090 -0.354 0.000 1.818 535 c CA -0.605 55.550 56.329 -0.291 0.000 1.790 535 c CB 1.425 43.798 42.510 -0.229 0.000 2.048 535 c HN 1.001 nan 8.230 nan 0.000 0.470 536 E N -0.372 119.531 120.200 -0.495 0.000 2.405 536 E HA 0.306 4.657 4.350 0.002 0.000 0.283 536 E C -1.933 174.444 176.600 -0.371 0.000 1.140 536 E CA -0.208 55.941 56.400 -0.418 0.000 0.904 536 E CB 1.145 30.573 29.700 -0.452 0.000 1.209 536 E HN 0.882 nan 8.360 nan 0.000 0.428 537 E N 3.575 123.717 120.200 -0.097 0.000 2.392 537 E HA 0.746 5.097 4.350 0.002 0.000 0.269 537 E C -1.092 175.544 176.600 0.061 0.000 0.924 537 E CA -0.978 55.425 56.400 0.005 0.000 0.784 537 E CB 2.225 31.927 29.700 0.003 0.000 1.292 537 E HN 0.323 nan 8.360 nan 0.000 0.447 538 L N 1.154 122.409 121.223 0.054 0.000 2.434 538 L HA 0.455 4.796 4.340 0.002 0.000 0.260 538 L C -1.175 175.725 176.870 0.050 0.000 0.983 538 L CA -1.288 53.568 54.840 0.025 0.000 0.820 538 L CB 2.078 44.064 42.059 -0.121 0.000 1.361 538 L HN 0.551 nan 8.230 nan 0.000 0.410 539 I N 1.951 122.584 120.570 0.106 0.000 2.342 539 I HA 0.636 4.807 4.170 0.002 0.000 0.291 539 I C 0.260 176.348 176.117 -0.049 0.000 1.010 539 I CA 0.111 61.426 61.300 0.025 0.000 1.308 539 I CB 1.443 39.481 38.000 0.063 0.000 1.400 539 I HN 0.539 nan 8.210 nan 0.000 0.488 540 A N 5.965 128.564 122.820 -0.368 0.000 2.435 540 A HA 0.858 5.179 4.320 0.002 0.000 0.304 540 A C -1.091 176.177 177.584 -0.527 0.000 1.064 540 A CA -0.552 51.113 52.037 -0.621 0.000 0.727 540 A CB 1.093 19.386 19.000 -1.179 0.000 1.284 540 A HN 0.696 nan 8.150 nan 0.000 0.415 541 Y N -0.194 120.004 120.300 -0.169 0.000 2.753 541 Y HA 0.882 5.434 4.550 0.002 0.000 0.324 541 Y C -1.193 174.854 175.900 0.244 0.000 1.147 541 Y CA -1.700 56.459 58.100 0.097 0.000 1.173 541 Y CB 1.018 39.484 38.460 0.010 0.000 1.361 541 Y HN 0.577 nan 8.280 nan 0.000 0.545 542 L N 1.907 123.433 121.223 0.504 0.000 2.385 542 L HA 0.538 4.879 4.340 0.002 0.000 0.273 542 L C -0.379 176.702 176.870 0.353 0.000 0.990 542 L CA -0.800 54.179 54.840 0.233 0.000 0.821 542 L CB 1.899 44.035 42.059 0.127 0.000 1.279 542 L HN 0.734 nan 8.230 nan 0.000 0.412 543 R N 1.644 122.234 120.500 0.150 0.000 2.811 543 R HA 0.049 4.390 4.340 0.002 0.000 0.265 543 R C -0.542 175.979 176.300 0.368 0.000 1.026 543 R CA -0.243 55.997 56.100 0.233 0.000 1.142 543 R CB 0.247 30.578 30.300 0.053 0.000 1.027 543 R HN 0.586 nan 8.270 nan 0.000 0.465 544 D N 0.806 121.387 120.400 0.301 0.000 2.382 544 D HA -0.034 4.607 4.640 0.002 0.000 0.240 544 D C 0.546 177.001 176.300 0.258 0.000 1.146 544 D CA 0.124 54.268 54.000 0.240 0.000 0.897 544 D CB 0.910 41.781 40.800 0.118 0.000 1.197 544 D HN 0.355 nan 8.370 nan 0.000 0.432 545 E N 0.144 120.375 120.200 0.053 0.000 2.118 545 E HA -0.149 4.202 4.350 0.002 0.000 0.195 545 E C 1.349 177.813 176.600 -0.226 0.000 0.992 545 E CA 1.353 57.609 56.400 -0.240 0.000 0.804 545 E CB -0.232 29.373 29.700 -0.158 0.000 0.741 545 E HN 0.420 nan 8.360 nan 0.000 0.458 546 S N 0.483 116.141 115.700 -0.069 0.000 3.009 546 S HA -0.009 4.462 4.470 0.002 0.000 0.243 546 S C 0.572 175.174 174.600 0.004 0.000 1.012 546 S CA 0.499 58.674 58.200 -0.042 0.000 1.113 546 S CB -0.673 62.519 63.200 -0.014 0.000 0.827 546 S HN 0.494 nan 8.310 nan 0.000 0.495 547 E N -0.024 120.195 120.200 0.033 0.000 2.798 547 E HA 0.281 4.632 4.350 0.002 0.000 0.170 547 E C -0.359 176.388 176.600 0.245 0.000 0.912 547 E CA -0.877 55.599 56.400 0.126 0.000 1.349 547 E CB -0.264 29.532 29.700 0.161 0.000 1.023 547 E HN 0.567 nan 8.360 nan 0.000 0.475 548 F N -0.800 119.153 119.950 0.004 0.000 2.680 548 F HA 0.667 5.195 4.527 0.002 0.000 0.315 548 F C -1.677 174.120 175.800 -0.005 0.000 1.099 548 F CA -1.113 56.886 58.000 -0.002 0.000 1.033 548 F CB 0.946 39.944 39.000 -0.004 0.000 1.285 548 F HN -0.153 nan 8.300 nan 0.000 0.457 549 R N 2.621 123.147 120.500 0.044 0.000 2.486 549 R HA 0.556 4.897 4.340 0.002 0.000 0.286 549 R C 0.032 176.410 176.300 0.132 0.000 0.999 549 R CA 0.415 56.490 56.100 -0.041 0.000 0.993 549 R CB 1.093 31.385 30.300 -0.013 0.000 1.084 549 R HN 0.946 nan 8.270 nan 0.000 0.487 550 D N 0.374 120.820 120.400 0.076 0.000 2.900 550 D HA 0.038 4.680 4.640 0.002 0.000 0.175 550 D C -0.310 176.034 176.300 0.073 0.000 1.476 550 D CA -0.252 53.838 54.000 0.150 0.000 1.488 550 D CB 0.095 41.075 40.800 0.299 0.000 1.426 550 D HN 0.255 nan 8.370 nan 0.000 0.295 551 K N 0.465 120.895 120.400 0.050 0.000 3.160 551 K HA -0.090 4.231 4.320 0.002 0.000 0.280 551 K C -0.636 175.998 176.600 0.057 0.000 1.154 551 K CA 0.451 56.761 56.287 0.039 0.000 0.822 551 K CB -1.420 31.093 32.500 0.022 0.000 1.239 551 K HN 0.509 nan 8.250 nan 0.000 0.489 552 L N -0.852 120.416 121.223 0.074 0.000 2.648 552 L HA -0.172 4.169 4.340 0.002 0.000 0.643 552 L C -0.746 176.160 176.870 0.059 0.000 1.007 552 L CA 1.846 56.737 54.840 0.085 0.000 1.346 552 L CB -1.962 40.182 42.059 0.141 0.000 1.929 552 L HN 0.396 nan 8.230 nan 0.000 0.915 553 T N 2.815 117.376 114.554 0.011 0.000 3.198 553 T HA 0.390 4.741 4.350 0.002 0.000 0.352 553 T C -2.289 172.348 174.700 -0.106 0.000 1.197 553 T CA -1.263 60.822 62.100 -0.025 0.000 1.427 553 T CB 1.581 70.437 68.868 -0.020 0.000 0.983 553 T HN 0.204 nan 8.240 nan 0.000 0.560 554 P HA -0.115 nan 4.420 nan 0.000 0.262 554 P C -0.328 176.790 177.300 -0.304 0.000 1.126 554 P CA 0.473 63.315 63.100 -0.430 0.000 0.755 554 P CB 0.126 31.537 31.700 -0.481 0.000 0.716 555 I N 2.981 123.349 120.570 -0.335 0.000 2.293 555 I HA 0.047 4.218 4.170 0.002 0.000 0.299 555 I C 1.012 176.991 176.117 -0.230 0.000 1.153 555 I CA -0.236 60.900 61.300 -0.273 0.000 1.302 555 I CB -0.360 37.437 38.000 -0.339 0.000 1.460 555 I HN 0.295 nan 8.210 nan 0.000 0.552 556 T N 3.621 118.078 114.554 -0.163 0.000 2.832 556 T HA 0.537 4.888 4.350 0.002 0.000 0.296 556 T C -0.147 174.541 174.700 -0.019 0.000 0.968 556 T CA -0.643 61.405 62.100 -0.086 0.000 1.107 556 T CB 1.104 69.934 68.868 -0.063 0.000 0.916 556 T HN 0.121 nan 8.240 nan 0.000 0.517 557 I N 3.007 123.603 120.570 0.043 0.000 2.577 557 I HA 0.578 4.749 4.170 0.002 0.000 0.300 557 I C -0.199 176.046 176.117 0.213 0.000 0.990 557 I CA -0.872 60.494 61.300 0.111 0.000 1.283 557 I CB 0.893 38.969 38.000 0.126 0.000 1.411 557 I HN 0.679 nan 8.210 nan 0.000 0.515 558 F N 5.786 125.748 119.950 0.020 0.000 2.563 558 F HA 0.733 5.261 4.527 0.002 0.000 0.316 558 F C -0.809 175.005 175.800 0.023 0.000 1.076 558 F CA -1.060 56.950 58.000 0.017 0.000 0.921 558 F CB 1.735 40.735 39.000 0.001 0.000 1.209 558 F HN 0.338 nan 8.300 nan 0.000 0.462 559 M N 4.887 124.082 119.600 -0.674 0.000 2.213 559 M HA 0.409 4.890 4.480 0.002 0.000 0.286 559 M C -1.823 174.039 176.300 -0.729 0.000 1.008 559 M CA -0.139 54.854 55.300 -0.510 0.000 0.937 559 M CB 1.779 34.285 32.600 -0.157 0.000 1.600 559 M HN 0.712 nan 8.290 nan 0.000 0.450 560 E N 3.509 123.420 120.200 -0.482 0.000 2.277 560 E HA 0.637 4.988 4.350 0.002 0.000 0.266 560 E C -1.993 174.554 176.600 -0.088 0.000 0.901 560 E CA -0.718 55.464 56.400 -0.364 0.000 0.782 560 E CB 2.566 32.127 29.700 -0.232 0.000 1.228 560 E HN 0.588 nan 8.360 nan 0.000 0.424 561 Y N -0.805 119.446 120.300 -0.080 0.000 2.521 561 Y HA 0.622 5.173 4.550 0.002 0.000 0.332 561 Y C -1.320 174.640 175.900 0.100 0.000 1.121 561 Y CA -1.096 57.008 58.100 0.006 0.000 1.037 561 Y CB 1.386 39.819 38.460 -0.046 0.000 1.330 561 Y HN 0.438 nan 8.280 nan 0.000 0.452 562 R N 3.106 123.813 120.500 0.346 0.000 2.668 562 R HA 0.624 4.965 4.340 0.002 0.000 0.272 562 R C -1.689 174.771 176.300 0.267 0.000 1.019 562 R CA -0.982 55.285 56.100 0.279 0.000 0.894 562 R CB 2.473 32.825 30.300 0.086 0.000 1.228 562 R HN 0.913 nan 8.270 nan 0.000 0.460 563 L N 1.311 122.614 121.223 0.134 0.000 2.470 563 L HA 0.336 4.677 4.340 0.002 0.000 0.243 563 L C -0.804 175.999 176.870 -0.111 0.000 1.227 563 L CA 0.957 55.704 54.840 -0.155 0.000 0.824 563 L CB 0.711 42.662 42.059 -0.179 0.000 1.175 563 L HN 0.708 nan 8.230 nan 0.000 0.503 564 D N -2.250 118.058 120.400 -0.154 0.000 2.570 564 D HA 0.355 4.996 4.640 0.002 0.000 0.244 564 D C -1.321 174.948 176.300 -0.051 0.000 1.178 564 D CA -0.331 53.580 54.000 -0.149 0.000 0.881 564 D CB 1.016 41.727 40.800 -0.148 0.000 1.453 564 D HN 0.330 nan 8.370 nan 0.000 0.447 565 Y N 0.110 120.387 120.300 -0.037 0.000 2.314 565 Y HA 0.571 5.122 4.550 0.001 0.000 0.359 565 Y C 1.078 176.961 175.900 -0.029 0.000 1.360 565 Y CA -1.623 56.459 58.100 -0.030 0.000 1.697 565 Y CB -0.066 38.385 38.460 -0.015 0.000 1.630 565 Y HN 0.508 nan 8.280 nan 0.000 0.583 566 R N -1.528 119.106 120.500 0.224 0.000 3.423 566 R HA -0.146 4.195 4.340 0.002 0.000 0.271 566 R C -1.019 175.318 176.300 0.062 0.000 1.093 566 R CA 1.121 57.273 56.100 0.087 0.000 0.730 566 R CB -2.465 27.903 30.300 0.114 0.000 1.190 566 R HN 0.933 nan 8.270 nan 0.000 0.437 567 T N -1.223 113.363 114.554 0.054 0.000 3.380 567 T HA 0.700 5.051 4.350 0.002 0.000 0.289 567 T C -0.067 174.650 174.700 0.027 0.000 1.012 567 T CA 0.225 62.339 62.100 0.024 0.000 0.944 567 T CB 0.933 69.798 68.868 -0.003 0.000 1.172 567 T HN 0.530 nan 8.240 nan 0.000 0.502 568 A N 0.862 123.699 122.820 0.028 0.000 2.524 568 A HA 0.977 5.298 4.320 0.002 0.000 0.289 568 A C -0.046 177.556 177.584 0.029 0.000 1.248 568 A CA -0.676 51.380 52.037 0.033 0.000 0.712 568 A CB 0.271 19.293 19.000 0.036 0.000 1.312 568 A HN 0.447 nan 8.150 nan 0.000 0.441 569 A N -0.393 122.452 122.820 0.043 0.000 2.552 569 A HA 0.226 4.547 4.320 0.002 0.000 0.241 569 A C 0.889 178.491 177.584 0.030 0.000 1.103 569 A CA 1.317 53.382 52.037 0.047 0.000 0.789 569 A CB -0.468 18.577 19.000 0.076 0.000 1.050 569 A HN 1.000 nan 8.150 nan 0.000 0.515 570 D N -0.647 119.772 120.400 0.031 0.000 2.087 570 D HA -0.053 4.588 4.640 0.002 0.000 0.201 570 D C 0.620 176.921 176.300 0.002 0.000 0.980 570 D CA 1.627 55.635 54.000 0.012 0.000 0.849 570 D CB -0.239 40.569 40.800 0.013 0.000 1.001 570 D HN 0.533 nan 8.370 nan 0.000 0.452 571 T N 1.412 115.973 114.554 0.011 0.000 2.736 571 T HA 0.065 4.416 4.350 0.002 0.000 0.275 571 T C -0.292 174.404 174.700 -0.007 0.000 0.962 571 T CA 0.309 62.393 62.100 -0.028 0.000 1.214 571 T CB -0.252 68.584 68.868 -0.053 0.000 0.904 571 T HN 0.188 nan 8.240 nan 0.000 0.529 572 T N 3.741 118.274 114.554 -0.035 0.000 1.744 572 T HA -0.124 4.227 4.350 0.002 0.000 0.678 572 T C 1.221 175.921 174.700 0.000 0.000 0.974 572 T CA 0.481 62.564 62.100 -0.029 0.000 3.704 572 T CB -0.687 68.155 68.868 -0.043 0.000 1.704 572 T HN 0.982 nan 8.240 nan 0.000 0.313 573 G N 2.378 111.171 108.800 -0.011 0.000 2.238 573 G HA2 0.191 4.152 3.960 0.002 0.000 0.234 573 G HA3 0.191 4.152 3.960 0.002 0.000 0.234 573 G C -0.015 174.895 174.900 0.016 0.000 1.181 573 G CA -0.571 44.530 45.100 0.002 0.000 0.871 573 G HN 0.710 nan 8.290 nan 0.000 0.490 574 L N 2.221 123.468 121.223 0.039 0.000 2.335 574 L HA 0.266 4.607 4.340 0.002 0.000 0.268 574 L C 0.676 177.568 176.870 0.038 0.000 1.037 574 L CA -0.194 54.674 54.840 0.046 0.000 0.895 574 L CB 1.176 43.276 42.059 0.069 0.000 1.266 574 L HN 0.640 nan 8.230 nan 0.000 0.439 575 Q N 4.871 124.693 119.800 0.037 0.000 2.263 575 Q HA 0.074 4.415 4.340 0.002 0.000 0.289 575 Q C -2.007 174.007 176.000 0.023 0.000 1.061 575 Q CA -1.227 54.605 55.803 0.048 0.000 0.927 575 Q CB 0.086 28.874 28.738 0.084 0.000 1.154 575 Q HN 0.374 nan 8.270 nan 0.000 0.378 576 P HA 0.168 nan 4.420 nan 0.000 0.275 576 P C -0.601 176.702 177.300 0.005 0.000 1.270 576 P CA -0.088 63.010 63.100 -0.004 0.000 0.791 576 P CB 0.700 32.407 31.700 0.012 0.000 1.089 577 I N -0.158 120.417 120.570 0.008 0.000 2.644 577 I HA 0.183 4.354 4.170 0.002 0.000 0.291 577 I C -0.662 175.539 176.117 0.141 0.000 1.180 577 I CA -1.038 60.301 61.300 0.065 0.000 1.040 577 I CB 1.616 39.635 38.000 0.032 0.000 1.255 577 I HN 0.020 nan 8.210 nan 0.000 0.422 578 L N 4.746 126.080 121.223 0.185 0.000 2.439 578 L HA 0.141 4.482 4.340 0.002 0.000 0.269 578 L C 0.747 177.771 176.870 0.258 0.000 1.179 578 L CA 0.347 55.321 54.840 0.224 0.000 0.828 578 L CB 0.060 42.263 42.059 0.240 0.000 1.106 578 L HN 0.691 nan 8.230 nan 0.000 0.467 579 N N 2.367 121.205 118.700 0.229 0.000 2.411 579 N HA -0.070 4.671 4.740 0.002 0.000 0.261 579 N C 1.187 176.686 175.510 -0.019 0.000 1.248 579 N CA -0.017 53.122 53.050 0.149 0.000 0.885 579 N CB 0.957 39.506 38.487 0.104 0.000 1.062 579 N HN 0.658 nan 8.380 nan 0.000 0.471 580 Q N 3.749 123.318 119.800 -0.385 0.000 2.156 580 Q HA -0.212 4.129 4.340 0.002 0.000 0.211 580 Q C 0.576 176.678 176.000 0.170 0.000 0.995 580 Q CA 1.706 57.347 55.803 -0.270 0.000 0.877 580 Q CB -0.419 27.876 28.738 -0.739 0.000 0.920 580 Q HN 0.674 nan 8.270 nan 0.000 0.416 581 F N 2.427 122.280 119.950 -0.163 0.000 2.949 581 F HA 0.225 4.753 4.527 0.001 0.000 0.291 581 F C 0.009 175.798 175.800 -0.018 0.000 1.214 581 F CA -0.502 57.453 58.000 -0.074 0.000 1.381 581 F CB 0.330 39.292 39.000 -0.065 0.000 1.066 581 F HN 0.065 nan 8.300 nan 0.000 0.520 582 T N -0.914 113.744 114.554 0.173 0.000 2.949 582 T HA 0.357 4.708 4.350 0.002 0.000 0.300 582 T C -2.621 172.141 174.700 0.103 0.000 0.988 582 T CA -1.910 60.271 62.100 0.136 0.000 0.993 582 T CB 2.031 70.990 68.868 0.153 0.000 0.984 582 T HN -0.094 nan 8.240 nan 0.000 0.442 583 P HA 0.452 nan 4.420 nan 0.000 0.280 583 P C -0.124 177.121 177.300 -0.091 0.000 1.244 583 P CA -0.569 62.531 63.100 0.001 0.000 0.784 583 P CB 1.170 32.876 31.700 0.011 0.000 0.913 584 A N 3.354 125.977 122.820 -0.329 0.000 2.988 584 A HA 0.224 4.545 4.320 0.002 0.000 0.288 584 A C 0.092 177.291 177.584 -0.642 0.000 1.385 584 A CA -0.265 51.175 52.037 -0.996 0.000 1.001 584 A CB -0.912 17.565 19.000 -0.873 0.000 1.071 584 A HN 0.492 nan 8.150 nan 0.000 0.608 585 N N 0.235 118.761 118.700 -0.288 0.000 2.571 585 N HA 0.431 5.172 4.740 0.002 0.000 0.286 585 N C -1.970 173.499 175.510 -0.070 0.000 1.138 585 N CA -0.195 52.730 53.050 -0.208 0.000 0.859 585 N CB 1.663 40.141 38.487 -0.015 0.000 1.414 585 N HN 0.278 nan 8.380 nan 0.000 0.529 586 I N 1.534 122.036 120.570 -0.113 0.000 2.730 586 I HA 0.642 4.813 4.170 0.002 0.000 0.298 586 I C -0.961 175.169 176.117 0.021 0.000 1.089 586 I CA -0.594 60.712 61.300 0.011 0.000 1.041 586 I CB 1.878 39.911 38.000 0.056 0.000 1.235 586 I HN 0.530 nan 8.210 nan 0.000 0.423 587 S N 5.795 121.560 115.700 0.108 0.000 2.562 587 S HA 0.819 5.290 4.470 0.002 0.000 0.274 587 S C -0.857 173.808 174.600 0.108 0.000 1.160 587 S CA -0.995 57.300 58.200 0.158 0.000 0.933 587 S CB 1.764 65.165 63.200 0.334 0.000 1.100 587 S HN 0.558 nan 8.310 nan 0.000 0.468 588 R N 0.834 121.387 120.500 0.089 0.000 2.875 588 R HA 0.660 5.001 4.340 0.002 0.000 0.251 588 R C -0.553 175.766 176.300 0.032 0.000 1.123 588 R CA -0.669 55.469 56.100 0.064 0.000 1.064 588 R CB 0.908 31.247 30.300 0.065 0.000 1.205 588 R HN 0.807 nan 8.270 nan 0.000 0.503 589 Q N 0.130 119.938 119.800 0.014 0.000 2.337 589 Q HA 0.707 5.048 4.340 0.002 0.000 0.266 589 Q C -1.201 174.729 176.000 -0.117 0.000 1.023 589 Q CA -1.038 54.718 55.803 -0.079 0.000 0.829 589 Q CB 2.415 31.104 28.738 -0.081 0.000 1.306 589 Q HN 0.608 nan 8.270 nan 0.000 0.449 590 A N 2.545 125.205 122.820 -0.265 0.000 2.331 590 A HA 0.663 4.984 4.320 0.002 0.000 0.320 590 A C -1.350 175.968 177.584 -0.444 0.000 1.138 590 A CA -0.481 51.390 52.037 -0.277 0.000 0.790 590 A CB 0.520 19.291 19.000 -0.381 0.000 1.206 590 A HN 0.767 nan 8.150 nan 0.000 0.470 591 H N 0.293 119.188 119.070 -0.291 0.000 2.713 591 H HA 0.720 5.277 4.556 0.002 0.000 0.340 591 H C -0.542 174.659 175.328 -0.211 0.000 1.271 591 H CA -0.668 55.219 56.048 -0.267 0.000 1.306 591 H CB 1.169 30.661 29.762 -0.451 0.000 1.839 591 H HN 0.545 nan 8.280 nan 0.000 0.627 592 I N 1.285 121.868 120.570 0.022 0.000 2.474 592 I HA 0.152 4.323 4.170 0.002 0.000 0.294 592 I C -0.493 175.658 176.117 0.057 0.000 1.005 592 I CA -0.939 60.372 61.300 0.018 0.000 1.113 592 I CB 2.021 40.053 38.000 0.052 0.000 1.289 592 I HN 0.207 nan 8.210 nan 0.000 0.436 593 L N 6.769 128.018 121.223 0.043 0.000 2.534 593 L HA 0.208 4.549 4.340 0.002 0.000 0.271 593 L C -1.058 175.851 176.870 0.066 0.000 1.178 593 L CA 0.352 55.230 54.840 0.063 0.000 0.907 593 L CB 0.298 42.381 42.059 0.040 0.000 1.164 593 L HN 0.477 nan 8.230 nan 0.000 0.482 594 L N 5.158 126.432 121.223 0.086 0.000 2.543 594 L HA 0.389 4.730 4.340 0.002 0.000 0.265 594 L C -0.069 176.831 176.870 0.050 0.000 0.945 594 L CA -0.021 54.855 54.840 0.061 0.000 0.869 594 L CB 1.543 43.644 42.059 0.069 0.000 1.294 594 L HN 0.795 nan 8.230 nan 0.000 0.405 595 D N 1.698 122.112 120.400 0.023 0.000 2.758 595 D HA -0.235 4.406 4.640 0.002 0.000 0.191 595 D C 0.234 176.533 176.300 -0.001 0.000 1.036 595 D CA 1.855 55.859 54.000 0.006 0.000 1.030 595 D CB -0.804 39.997 40.800 0.000 0.000 1.109 595 D HN 0.644 nan 8.370 nan 0.000 0.430 596 c N 2.276 120.885 118.600 0.015 0.000 2.861 596 c HA 0.551 5.122 4.570 0.002 0.000 0.542 596 c C 1.394 175.481 174.090 -0.006 0.000 1.074 596 c CA -0.087 56.245 56.329 0.004 0.000 1.232 596 c CB -0.814 41.724 42.510 0.047 0.000 1.433 596 c HN 0.390 nan 8.230 nan 0.000 0.606 597 G N -0.019 108.773 108.800 -0.014 0.000 2.971 597 G HA2 0.593 4.554 3.960 0.002 0.000 0.235 597 G HA3 0.593 4.554 3.960 0.002 0.000 0.235 597 G C 0.272 175.157 174.900 -0.024 0.000 1.351 597 G CA 0.451 45.541 45.100 -0.016 0.000 1.039 597 G HN 0.383 nan 8.290 nan 0.000 0.563 598 E N -1.325 118.863 120.200 -0.021 0.000 3.966 598 E HA -0.385 3.966 4.350 0.002 0.000 0.204 598 E C 1.355 177.937 176.600 -0.029 0.000 1.215 598 E CA 2.984 59.371 56.400 -0.022 0.000 2.203 598 E CB -1.677 28.011 29.700 -0.021 0.000 1.837 598 E HN 0.663 nan 8.360 nan 0.000 0.327 599 D N 0.067 120.443 120.400 -0.041 0.000 2.347 599 D HA 0.070 4.711 4.640 0.002 0.000 0.215 599 D C 1.169 177.423 176.300 -0.077 0.000 0.976 599 D CA 1.215 55.179 54.000 -0.060 0.000 0.884 599 D CB 0.030 40.786 40.800 -0.073 0.000 0.915 599 D HN 0.509 nan 8.370 nan 0.000 0.526 600 N N -1.609 117.054 118.700 -0.061 0.000 2.962 600 N HA -0.184 4.557 4.740 0.002 0.000 0.206 600 N C -0.681 174.789 175.510 -0.067 0.000 0.907 600 N CA 1.332 54.349 53.050 -0.055 0.000 1.029 600 N CB -1.100 37.355 38.487 -0.053 0.000 1.009 600 N HN 0.457 nan 8.380 nan 0.000 0.587 601 V N -3.487 116.361 119.914 -0.109 0.000 3.007 601 V HA 0.691 4.812 4.120 0.002 0.000 0.311 601 V C 0.418 176.453 176.094 -0.098 0.000 1.120 601 V CA -1.006 61.226 62.300 -0.114 0.000 0.980 601 V CB 1.943 33.621 31.823 -0.242 0.000 1.033 601 V HN 0.111 nan 8.190 nan 0.000 0.429 602 c N 3.244 121.812 118.600 -0.053 0.000 2.482 602 c HA 0.561 5.132 4.570 0.002 0.000 0.378 602 c C 0.482 174.533 174.090 -0.065 0.000 1.284 602 c CA -0.160 56.116 56.329 -0.088 0.000 1.826 602 c CB -0.759 41.634 42.510 -0.195 0.000 2.473 602 c HN 0.930 nan 8.230 nan 0.000 0.562 603 K N 5.374 125.746 120.400 -0.048 0.000 2.646 603 K HA 0.287 4.608 4.320 0.002 0.000 0.210 603 K C -2.637 173.957 176.600 -0.011 0.000 1.020 603 K CA -0.971 55.328 56.287 0.019 0.000 1.040 603 K CB 1.425 33.964 32.500 0.065 0.000 1.253 603 K HN 0.480 nan 8.250 nan 0.000 0.532 604 P HA 0.041 nan 4.420 nan 0.000 0.274 604 P C -0.887 176.401 177.300 -0.021 0.000 1.237 604 P CA -0.413 62.658 63.100 -0.048 0.000 0.793 604 P CB 0.946 32.599 31.700 -0.078 0.000 0.977 605 K N 3.029 123.416 120.400 -0.023 0.000 2.307 605 K HA 0.418 4.740 4.320 0.002 0.000 0.263 605 K C -1.180 175.409 176.600 -0.017 0.000 0.973 605 K CA -0.671 55.608 56.287 -0.013 0.000 0.846 605 K CB 0.314 32.808 32.500 -0.011 0.000 1.100 605 K HN 0.497 nan 8.250 nan 0.000 0.438 606 L N 3.956 125.171 121.223 -0.013 0.000 2.346 606 L HA 0.541 4.882 4.340 0.002 0.000 0.274 606 L C -0.171 176.693 176.870 -0.009 0.000 1.007 606 L CA -0.714 54.117 54.840 -0.014 0.000 0.818 606 L CB 1.918 43.969 42.059 -0.014 0.000 1.284 606 L HN 0.670 nan 8.230 nan 0.000 0.424 607 E N 2.503 122.698 120.200 -0.009 0.000 2.354 607 E HA 0.544 4.895 4.350 0.002 0.000 0.283 607 E C -1.796 174.801 176.600 -0.006 0.000 0.938 607 E CA -0.753 55.643 56.400 -0.007 0.000 0.777 607 E CB 2.324 32.019 29.700 -0.008 0.000 1.222 607 E HN 0.300 nan 8.360 nan 0.000 0.423 608 V N -0.326 119.586 119.914 -0.002 0.000 2.577 608 V HA 0.757 4.878 4.120 0.002 0.000 0.303 608 V C -0.255 175.837 176.094 -0.004 0.000 1.042 608 V CA -0.682 61.617 62.300 -0.001 0.000 0.872 608 V CB 1.215 33.043 31.823 0.009 0.000 0.998 608 V HN 0.714 nan 8.190 nan 0.000 0.423 609 S N 2.466 118.159 115.700 -0.012 0.000 2.648 609 S HA 0.917 5.388 4.470 0.002 0.000 0.305 609 S C -1.112 173.467 174.600 -0.035 0.000 1.094 609 S CA -0.452 57.733 58.200 -0.025 0.000 0.983 609 S CB 2.065 65.248 63.200 -0.029 0.000 1.101 609 S HN 1.603 nan 8.310 nan 0.000 0.514 610 V N 2.188 122.061 119.914 -0.068 0.000 2.777 610 V HA 0.393 4.514 4.120 0.002 0.000 0.306 610 V C 0.061 176.059 176.094 -0.159 0.000 1.112 610 V CA -0.479 61.758 62.300 -0.105 0.000 0.917 610 V CB 2.060 33.814 31.823 -0.114 0.000 1.018 610 V HN 1.096 nan 8.190 nan 0.000 0.426 611 D N 2.968 123.292 120.400 -0.127 0.000 2.183 611 D HA -0.011 4.630 4.640 0.002 0.000 0.203 611 D C 0.997 177.204 176.300 -0.154 0.000 0.969 611 D CA 1.686 55.617 54.000 -0.115 0.000 0.842 611 D CB 0.249 41.008 40.800 -0.069 0.000 0.957 611 D HN 0.847 nan 8.370 nan 0.000 0.484 612 S N -0.120 115.447 115.700 -0.221 0.000 3.787 612 S HA -0.234 4.237 4.470 0.002 0.000 0.321 612 S C -0.217 174.370 174.600 -0.021 0.000 1.119 612 S CA 0.603 58.682 58.200 -0.201 0.000 0.918 612 S CB -1.982 61.046 63.200 -0.287 0.000 0.913 612 S HN 0.683 nan 8.310 nan 0.000 0.506 613 D N 0.365 120.757 120.400 -0.013 0.000 2.371 613 D HA 0.441 5.082 4.640 0.002 0.000 0.242 613 D C 0.798 177.104 176.300 0.009 0.000 1.218 613 D CA 0.256 54.252 54.000 -0.006 0.000 0.945 613 D CB 0.308 41.097 40.800 -0.018 0.000 1.137 613 D HN 0.205 nan 8.370 nan 0.000 0.464 614 Q N -0.001 119.795 119.800 -0.006 0.000 2.435 614 Q HA -0.287 4.054 4.340 0.002 0.000 0.286 614 Q C -0.887 175.099 176.000 -0.023 0.000 1.229 614 Q CA 1.262 57.053 55.803 -0.019 0.000 0.884 614 Q CB -1.361 27.364 28.738 -0.023 0.000 1.245 614 Q HN 0.531 nan 8.270 nan 0.000 0.488 615 K N 1.456 121.854 120.400 -0.003 0.000 2.079 615 K HA 0.092 4.413 4.320 0.002 0.000 0.255 615 K C -0.438 176.126 176.600 -0.060 0.000 1.114 615 K CA 0.438 56.727 56.287 0.004 0.000 1.056 615 K CB -0.164 32.361 32.500 0.041 0.000 1.176 615 K HN 0.359 nan 8.250 nan 0.000 0.353 616 K N 2.771 123.098 120.400 -0.122 0.000 2.545 616 K HA 0.170 4.491 4.320 0.002 0.000 0.291 616 K C -1.057 175.322 176.600 -0.369 0.000 1.093 616 K CA -0.689 55.441 56.287 -0.260 0.000 1.012 616 K CB 0.218 32.520 32.500 -0.329 0.000 1.354 616 K HN 0.598 nan 8.250 nan 0.000 0.460 617 I N -0.119 120.263 120.570 -0.314 0.000 2.537 617 I HA 0.354 4.525 4.170 0.002 0.000 0.276 617 I C -0.976 175.031 176.117 -0.183 0.000 1.063 617 I CA -1.146 60.008 61.300 -0.243 0.000 1.144 617 I CB 0.353 38.291 38.000 -0.104 0.000 1.252 617 I HN 0.425 nan 8.210 nan 0.000 0.480 618 Y N 5.436 125.721 120.300 -0.024 0.000 2.729 618 Y HA 0.171 4.722 4.550 0.002 0.000 0.331 618 Y C 1.077 176.943 175.900 -0.056 0.000 1.208 618 Y CA -0.424 57.654 58.100 -0.036 0.000 1.521 618 Y CB 0.275 38.734 38.460 -0.003 0.000 1.233 618 Y HN 0.487 nan 8.280 nan 0.000 0.539 619 I N 3.767 124.355 120.570 0.029 0.000 2.741 619 I HA -0.018 4.153 4.170 0.002 0.000 0.288 619 I C 1.153 177.282 176.117 0.019 0.000 1.192 619 I CA 1.444 62.689 61.300 -0.092 0.000 1.426 619 I CB 0.028 37.760 38.000 -0.446 0.000 1.367 619 I HN 1.068 nan 8.210 nan 0.000 0.563 620 G N 5.599 114.428 108.800 0.048 0.000 2.483 620 G HA2 -0.177 3.784 3.960 0.002 0.000 0.196 620 G HA3 -0.177 3.784 3.960 0.002 0.000 0.196 620 G C -0.215 174.740 174.900 0.092 0.000 2.335 620 G CA 0.008 45.163 45.100 0.092 0.000 1.576 620 G HN 0.680 nan 8.290 nan 0.000 0.499 621 D N 1.746 122.204 120.400 0.097 0.000 2.423 621 D HA 0.424 5.065 4.640 0.002 0.000 0.255 621 D C -1.101 175.258 176.300 0.098 0.000 1.174 621 D CA -0.298 53.760 54.000 0.097 0.000 1.008 621 D CB 0.841 41.694 40.800 0.088 0.000 1.101 621 D HN 0.106 nan 8.370 nan 0.000 0.516 622 D N 0.658 121.120 120.400 0.103 0.000 2.356 622 D HA 0.082 4.723 4.640 0.002 0.000 0.272 622 D C -0.297 176.023 176.300 0.032 0.000 1.337 622 D CA 0.198 54.244 54.000 0.076 0.000 0.970 622 D CB -0.349 40.512 40.800 0.100 0.000 1.092 622 D HN 0.180 nan 8.370 nan 0.000 0.516 623 N N 3.374 122.072 118.700 -0.003 0.000 2.420 623 N HA 0.191 4.932 4.740 0.002 0.000 0.249 623 N C -2.559 172.943 175.510 -0.013 0.000 1.033 623 N CA -1.471 51.579 53.050 0.000 0.000 0.944 623 N CB 1.235 39.713 38.487 -0.014 0.000 1.113 623 N HN 0.036 nan 8.380 nan 0.000 0.502 624 P HA 0.145 nan 4.420 nan 0.000 0.271 624 P C -0.845 176.452 177.300 -0.005 0.000 1.220 624 P CA -0.231 62.865 63.100 -0.007 0.000 0.768 624 P CB 0.770 32.462 31.700 -0.012 0.000 0.848 625 L N 3.972 125.203 121.223 0.013 0.000 2.470 625 L HA 0.545 4.886 4.340 0.002 0.000 0.268 625 L C -0.611 176.221 176.870 -0.063 0.000 0.964 625 L CA -0.148 54.700 54.840 0.014 0.000 0.839 625 L CB 1.790 43.911 42.059 0.103 0.000 1.276 625 L HN 0.390 nan 8.230 nan 0.000 0.403 626 T N 2.803 117.299 114.554 -0.097 0.000 2.855 626 T HA 0.732 5.083 4.350 0.002 0.000 0.281 626 T C -0.452 174.169 174.700 -0.132 0.000 1.007 626 T CA -0.690 61.310 62.100 -0.167 0.000 1.009 626 T CB 1.276 70.069 68.868 -0.125 0.000 0.983 626 T HN 0.510 nan 8.240 nan 0.000 0.455 627 L N 3.505 124.627 121.223 -0.168 0.000 2.319 627 L HA 0.453 4.794 4.340 0.002 0.000 0.281 627 L C -0.436 176.397 176.870 -0.062 0.000 1.005 627 L CA -1.244 53.543 54.840 -0.088 0.000 0.828 627 L CB 1.524 43.539 42.059 -0.073 0.000 1.227 627 L HN 0.557 nan 8.230 nan 0.000 0.415 628 I N 5.193 125.738 120.570 -0.041 0.000 2.281 628 I HA 0.137 4.308 4.170 0.002 0.000 0.293 628 I C 0.373 176.475 176.117 -0.025 0.000 1.085 628 I CA -0.181 61.097 61.300 -0.036 0.000 1.257 628 I CB 1.211 39.188 38.000 -0.038 0.000 1.430 628 I HN 0.226 nan 8.210 nan 0.000 0.489 629 V N 4.524 124.428 119.914 -0.016 0.000 2.617 629 V HA 0.553 4.674 4.120 0.002 0.000 0.298 629 V C 0.032 176.120 176.094 -0.010 0.000 1.048 629 V CA -0.837 61.459 62.300 -0.006 0.000 0.964 629 V CB 1.876 33.703 31.823 0.008 0.000 1.004 629 V HN 0.755 nan 8.190 nan 0.000 0.466 630 K N 3.434 123.828 120.400 -0.010 0.000 2.624 630 K HA 0.682 5.003 4.320 0.002 0.000 0.200 630 K C -0.151 176.444 176.600 -0.008 0.000 1.036 630 K CA -0.340 55.940 56.287 -0.012 0.000 1.029 630 K CB 0.807 33.297 32.500 -0.017 0.000 1.317 630 K HN 1.119 nan 8.250 nan 0.000 0.555 631 A N 3.560 126.376 122.820 -0.006 0.000 2.404 631 A HA 0.245 4.566 4.320 0.002 0.000 0.273 631 A C -0.634 176.944 177.584 -0.010 0.000 1.144 631 A CA 0.065 52.098 52.037 -0.006 0.000 0.806 631 A CB 0.302 19.299 19.000 -0.004 0.000 1.080 631 A HN 0.731 nan 8.150 nan 0.000 0.509 632 Q N 1.516 121.309 119.800 -0.011 0.000 2.305 632 Q HA 0.336 4.677 4.340 0.002 0.000 0.271 632 Q C -1.179 174.810 176.000 -0.018 0.000 1.046 632 Q CA -0.825 54.969 55.803 -0.015 0.000 0.798 632 Q CB 2.174 30.904 28.738 -0.014 0.000 1.286 632 Q HN 0.723 nan 8.270 nan 0.000 0.435 633 N N 1.522 120.208 118.700 -0.023 0.000 2.476 633 N HA 0.106 4.847 4.740 0.002 0.000 0.257 633 N C -0.319 175.173 175.510 -0.029 0.000 0.970 633 N CA -0.048 52.983 53.050 -0.031 0.000 0.938 633 N CB 1.568 40.029 38.487 -0.042 0.000 1.144 633 N HN 0.538 nan 8.380 nan 0.000 0.500 634 Q N 2.504 122.288 119.800 -0.026 0.000 2.350 634 Q HA 0.400 4.741 4.340 0.002 0.000 0.225 634 Q C 0.762 176.747 176.000 -0.025 0.000 0.878 634 Q CA 0.275 56.065 55.803 -0.022 0.000 0.935 634 Q CB 0.255 28.983 28.738 -0.016 0.000 1.099 634 Q HN 0.719 nan 8.270 nan 0.000 0.527 635 G N -0.449 108.333 108.800 -0.029 0.000 2.531 635 G HA2 0.241 4.202 3.960 0.002 0.000 0.253 635 G HA3 0.241 4.202 3.960 0.002 0.000 0.253 635 G C -0.222 174.650 174.900 -0.047 0.000 1.439 635 G CA -0.485 44.596 45.100 -0.031 0.000 1.056 635 G HN 0.291 nan 8.290 nan 0.000 0.555 636 E N -0.704 119.463 120.200 -0.056 0.000 3.473 636 E HA 0.330 4.681 4.350 0.002 0.000 0.309 636 E C 1.206 177.734 176.600 -0.121 0.000 1.502 636 E CA -0.067 56.287 56.400 -0.075 0.000 1.525 636 E CB -0.185 29.471 29.700 -0.073 0.000 1.183 636 E HN 0.496 nan 8.360 nan 0.000 0.757 637 G N -0.835 107.867 108.800 -0.164 0.000 2.720 637 G HA2 0.305 4.266 3.960 0.002 0.000 0.237 637 G HA3 0.305 4.266 3.960 0.002 0.000 0.237 637 G C -0.799 173.859 174.900 -0.404 0.000 1.239 637 G CA 0.242 45.181 45.100 -0.269 0.000 0.847 637 G HN 0.430 nan 8.290 nan 0.000 0.593 638 A N 0.635 123.176 122.820 -0.465 0.000 2.684 638 A HA 0.569 4.890 4.320 0.002 0.000 0.289 638 A C -0.778 176.586 177.584 -0.366 0.000 1.139 638 A CA -0.754 51.032 52.037 -0.418 0.000 0.793 638 A CB 0.339 19.224 19.000 -0.191 0.000 1.334 638 A HN 0.559 nan 8.150 nan 0.000 0.408 639 Y N 0.749 120.979 120.300 -0.117 0.000 2.426 639 Y HA 0.329 4.880 4.550 0.002 0.000 0.344 639 Y C 1.191 177.058 175.900 -0.056 0.000 1.256 639 Y CA 0.421 58.423 58.100 -0.163 0.000 1.451 639 Y CB 0.230 38.400 38.460 -0.484 0.000 1.342 639 Y HN 0.857 nan 8.280 nan 0.000 0.600 640 E N -1.031 119.280 120.200 0.186 0.000 2.162 640 E HA -0.221 4.130 4.350 0.002 0.000 0.209 640 E C -0.370 176.271 176.600 0.068 0.000 1.328 640 E CA 0.210 56.687 56.400 0.129 0.000 0.712 640 E CB -1.010 28.771 29.700 0.135 0.000 1.107 640 E HN 0.648 nan 8.360 nan 0.000 0.347 641 A N 2.162 125.007 122.820 0.043 0.000 2.462 641 A HA 0.334 4.655 4.320 0.002 0.000 0.243 641 A C 0.561 178.155 177.584 0.018 0.000 1.076 641 A CA 0.642 52.687 52.037 0.013 0.000 0.773 641 A CB 0.350 19.346 19.000 -0.006 0.000 1.010 641 A HN 0.390 nan 8.150 nan 0.000 0.493 642 E N 1.137 121.342 120.200 0.009 0.000 2.380 642 E HA 0.469 4.820 4.350 0.002 0.000 0.281 642 E C -1.898 174.701 176.600 -0.002 0.000 0.999 642 E CA -0.922 55.480 56.400 0.004 0.000 0.800 642 E CB 0.813 30.516 29.700 0.006 0.000 1.228 642 E HN 0.507 nan 8.360 nan 0.000 0.436 643 L N 2.467 123.687 121.223 -0.006 0.000 2.307 643 L HA 0.481 4.822 4.340 0.002 0.000 0.282 643 L C -1.105 175.758 176.870 -0.013 0.000 1.051 643 L CA -0.680 54.157 54.840 -0.005 0.000 0.804 643 L CB 1.256 43.314 42.059 -0.002 0.000 1.197 643 L HN 0.595 nan 8.230 nan 0.000 0.431 644 I N 6.859 127.426 120.570 -0.005 0.000 2.460 644 I HA 0.223 4.394 4.170 0.002 0.000 0.277 644 I C -0.588 175.535 176.117 0.010 0.000 1.057 644 I CA -0.398 60.894 61.300 -0.013 0.000 1.179 644 I CB 1.224 39.215 38.000 -0.014 0.000 1.329 644 I HN 0.243 nan 8.210 nan 0.000 0.478 645 V N 5.060 124.984 119.914 0.017 0.000 2.368 645 V HA 0.213 4.334 4.120 0.002 0.000 0.266 645 V C 0.795 176.925 176.094 0.061 0.000 1.045 645 V CA -0.205 62.141 62.300 0.077 0.000 0.899 645 V CB 1.067 32.975 31.823 0.141 0.000 1.006 645 V HN 0.671 nan 8.190 nan 0.000 0.470 646 S N 6.885 122.624 115.700 0.065 0.000 2.399 646 S HA 0.531 5.002 4.470 0.002 0.000 0.301 646 S C 0.053 174.649 174.600 -0.008 0.000 1.093 646 S CA -0.415 57.793 58.200 0.013 0.000 1.077 646 S CB 0.139 63.336 63.200 -0.005 0.000 0.980 646 S HN 0.663 nan 8.310 nan 0.000 0.494 647 I N 1.642 122.171 120.570 -0.068 0.000 2.783 647 I HA 0.674 4.845 4.170 0.002 0.000 0.312 647 I C -2.261 173.661 176.117 -0.324 0.000 0.988 647 I CA -2.658 58.471 61.300 -0.286 0.000 1.182 647 I CB 0.839 38.705 38.000 -0.224 0.000 1.368 647 I HN 0.287 nan 8.210 nan 0.000 0.511 648 P HA 0.167 nan 4.420 nan 0.000 0.289 648 P C 0.636 177.836 177.300 -0.166 0.000 1.299 648 P CA -0.480 62.429 63.100 -0.319 0.000 0.766 648 P CB 1.479 32.936 31.700 -0.405 0.000 1.226 649 L N -0.330 120.832 121.223 -0.102 0.000 1.988 649 L HA -0.203 4.138 4.340 0.002 0.000 0.207 649 L C 1.745 178.613 176.870 -0.003 0.000 1.071 649 L CA 1.708 56.529 54.840 -0.032 0.000 0.744 649 L CB -0.762 41.285 42.059 -0.020 0.000 0.893 649 L HN 0.340 nan 8.230 nan 0.000 0.433 650 Q N 0.090 119.886 119.800 -0.006 0.000 2.292 650 Q HA 0.170 4.511 4.340 0.002 0.000 0.235 650 Q C 0.672 176.689 176.000 0.028 0.000 0.910 650 Q CA 0.603 56.457 55.803 0.084 0.000 0.952 650 Q CB -0.530 28.257 28.738 0.081 0.000 1.089 650 Q HN 0.368 nan 8.270 nan 0.000 0.431 651 A N 0.606 123.406 122.820 -0.033 0.000 1.991 651 A HA 0.238 4.559 4.320 0.002 0.000 0.217 651 A C -0.294 177.278 177.584 -0.020 0.000 1.487 651 A CA 0.390 52.362 52.037 -0.108 0.000 0.603 651 A CB -0.044 18.831 19.000 -0.209 0.000 1.112 651 A HN 0.426 nan 8.150 nan 0.000 0.492 652 D N -2.572 117.830 120.400 0.003 0.000 5.896 652 D HA -0.108 4.533 4.640 0.002 0.000 0.234 652 D C -0.792 175.652 176.300 0.241 0.000 1.700 652 D CA 0.775 54.785 54.000 0.018 0.000 1.455 652 D CB -1.255 39.601 40.800 0.094 0.000 0.624 652 D HN 0.433 nan 8.370 nan 0.000 0.340 653 F N 2.699 122.699 119.950 0.084 0.000 2.396 653 F HA 0.559 5.087 4.527 0.002 0.000 0.343 653 F C 0.672 176.558 175.800 0.143 0.000 1.104 653 F CA -0.479 57.758 58.000 0.395 0.000 1.161 653 F CB 0.457 39.739 39.000 0.471 0.000 1.146 653 F HN 0.383 nan 8.300 nan 0.000 0.522 654 I N 2.966 123.092 120.570 -0.741 0.000 3.098 654 I HA 0.423 4.594 4.170 0.002 0.000 0.241 654 I C 1.155 176.612 176.117 -1.101 0.000 1.081 654 I CA 0.434 61.310 61.300 -0.706 0.000 1.487 654 I CB -0.259 37.516 38.000 -0.374 0.000 1.366 654 I HN 0.721 nan 8.210 nan 0.000 0.463 655 G N -0.001 108.145 108.800 -1.091 0.000 2.428 655 G HA2 0.472 4.433 3.960 0.002 0.000 0.304 655 G HA3 0.472 4.433 3.960 0.002 0.000 0.304 655 G C -1.726 173.113 174.900 -0.101 0.000 1.303 655 G CA -0.484 44.272 45.100 -0.573 0.000 0.825 655 G HN -0.133 nan 8.290 nan 0.000 0.484 656 V N 0.540 120.491 119.914 0.061 0.000 2.481 656 V HA 0.517 4.638 4.120 0.002 0.000 0.286 656 V C 0.788 176.875 176.094 -0.012 0.000 1.042 656 V CA -0.786 61.553 62.300 0.065 0.000 0.928 656 V CB 1.328 33.210 31.823 0.099 0.000 0.986 656 V HN 1.003 nan 8.190 nan 0.000 0.462 657 V N 3.042 122.936 119.914 -0.033 0.000 2.403 657 V HA 0.294 4.415 4.120 0.002 0.000 0.265 657 V C 1.000 177.077 176.094 -0.028 0.000 1.034 657 V CA -0.024 62.250 62.300 -0.044 0.000 1.036 657 V CB -0.768 31.022 31.823 -0.055 0.000 1.032 657 V HN 0.879 nan 8.190 nan 0.000 0.478 658 R N 3.271 123.755 120.500 -0.027 0.000 2.175 658 R HA 0.045 4.386 4.340 0.002 0.000 0.202 658 R C 2.009 178.296 176.300 -0.022 0.000 1.018 658 R CA 1.087 57.176 56.100 -0.020 0.000 1.029 658 R CB -0.221 30.069 30.300 -0.017 0.000 0.959 658 R HN 0.907 nan 8.270 nan 0.000 0.480 659 N N 0.932 119.615 118.700 -0.027 0.000 2.258 659 N HA -0.201 4.540 4.740 0.002 0.000 0.187 659 N C 0.513 176.010 175.510 -0.023 0.000 1.012 659 N CA 0.989 54.024 53.050 -0.025 0.000 0.870 659 N CB -0.184 38.285 38.487 -0.030 0.000 0.977 659 N HN 0.036 nan 8.380 nan 0.000 0.434 660 N N 0.587 119.273 118.700 -0.024 0.000 2.426 660 N HA -0.018 4.723 4.740 0.002 0.000 0.275 660 N C 0.240 175.739 175.510 -0.018 0.000 1.019 660 N CA -0.180 52.858 53.050 -0.022 0.000 0.941 660 N CB 1.288 39.760 38.487 -0.025 0.000 1.123 660 N HN 0.136 nan 8.380 nan 0.000 0.486 661 E N 3.644 123.835 120.200 -0.015 0.000 2.023 661 E HA -0.148 4.203 4.350 0.002 0.000 0.196 661 E C 0.960 177.553 176.600 -0.012 0.000 1.003 661 E CA 1.122 57.514 56.400 -0.013 0.000 0.809 661 E CB -0.178 29.516 29.700 -0.011 0.000 0.755 661 E HN 0.713 nan 8.360 nan 0.000 0.449 662 A N 0.909 123.721 122.820 -0.013 0.000 2.277 662 A HA 0.008 4.329 4.320 0.002 0.000 0.208 662 A C 1.156 178.731 177.584 -0.014 0.000 1.202 662 A CA 0.404 52.433 52.037 -0.013 0.000 0.762 662 A CB -0.429 18.563 19.000 -0.014 0.000 0.770 662 A HN 0.148 nan 8.150 nan 0.000 0.487 663 L N -1.844 119.370 121.223 -0.014 0.000 2.331 663 L HA 0.685 5.026 4.340 0.002 0.000 0.268 663 L C 0.440 177.305 176.870 -0.010 0.000 1.015 663 L CA -0.863 53.968 54.840 -0.014 0.000 0.807 663 L CB 1.603 43.651 42.059 -0.019 0.000 1.293 663 L HN 0.108 nan 8.230 nan 0.000 0.451 664 A N 0.456 123.271 122.820 -0.007 0.000 2.305 664 A HA 0.534 4.855 4.320 0.002 0.000 0.322 664 A C -0.170 177.416 177.584 0.004 0.000 1.187 664 A CA -0.649 51.387 52.037 -0.002 0.000 0.825 664 A CB 0.431 19.431 19.000 -0.001 0.000 1.164 664 A HN 0.784 nan 8.150 nan 0.000 0.498 665 R N 3.698 124.202 120.500 0.007 0.000 4.231 665 R HA 0.345 4.686 4.340 0.002 0.000 0.250 665 R C -0.725 175.590 176.300 0.025 0.000 1.600 665 R CA -0.421 55.688 56.100 0.015 0.000 1.523 665 R CB -0.638 29.669 30.300 0.010 0.000 1.422 665 R HN 0.609 nan 8.270 nan 0.000 0.759 666 L N 0.795 122.035 121.223 0.028 0.000 2.517 666 L HA -0.073 4.268 4.340 0.002 0.000 0.294 666 L C 0.819 177.715 176.870 0.044 0.000 1.264 666 L CA 0.362 55.219 54.840 0.030 0.000 0.839 666 L CB 0.408 42.482 42.059 0.025 0.000 1.098 666 L HN 0.461 nan 8.230 nan 0.000 0.525 667 S N -0.018 115.703 115.700 0.035 0.000 2.871 667 S HA 0.071 4.542 4.470 0.002 0.000 0.254 667 S C 0.341 174.968 174.600 0.046 0.000 1.088 667 S CA -0.610 57.615 58.200 0.042 0.000 1.166 667 S CB -0.619 62.599 63.200 0.029 0.000 0.826 667 S HN 0.519 nan 8.310 nan 0.000 0.471 668 c N 2.399 121.032 118.600 0.054 0.000 2.746 668 c HA 0.512 5.083 4.570 0.002 0.000 0.403 668 c C 0.990 175.112 174.090 0.054 0.000 1.270 668 c CA -0.422 55.915 56.329 0.012 0.000 1.978 668 c CB -0.767 41.736 42.510 -0.012 0.000 2.724 668 c HN 0.695 nan 8.230 nan 0.000 0.678 669 A N 1.510 124.293 122.820 -0.062 0.000 2.547 669 A HA 0.517 4.838 4.320 0.002 0.000 0.300 669 A C -0.816 176.747 177.584 -0.035 0.000 1.061 669 A CA -0.519 51.555 52.037 0.061 0.000 0.808 669 A CB 0.166 19.217 19.000 0.085 0.000 1.304 669 A HN 0.814 nan 8.150 nan 0.000 0.393 670 F N 2.779 122.707 119.950 -0.036 0.000 2.553 670 F HA 0.534 5.062 4.527 0.002 0.000 0.356 670 F C 0.474 176.286 175.800 0.020 0.000 1.142 670 F CA 1.397 59.393 58.000 -0.005 0.000 1.322 670 F CB 0.542 39.702 39.000 0.267 0.000 1.126 670 F HN 0.737 nan 8.300 nan 0.000 0.599 671 K N 2.829 122.580 120.400 -1.081 0.000 2.562 671 K HA 0.474 4.795 4.320 0.002 0.000 0.267 671 K C -1.931 174.222 176.600 -0.746 0.000 0.938 671 K CA -0.556 55.325 56.287 -0.676 0.000 0.840 671 K CB 1.954 34.268 32.500 -0.310 0.000 1.390 671 K HN 0.731 nan 8.250 nan 0.000 0.428 672 T N 0.217 114.552 114.554 -0.366 0.000 3.186 672 T HA 0.352 4.703 4.350 0.002 0.000 0.320 672 T C -0.332 174.310 174.700 -0.096 0.000 0.955 672 T CA -0.610 61.373 62.100 -0.195 0.000 1.030 672 T CB 1.610 70.442 68.868 -0.059 0.000 1.013 672 T HN 0.668 nan 8.240 nan 0.000 0.454 673 E N 2.799 122.952 120.200 -0.079 0.000 2.378 673 E HA 0.312 4.663 4.350 0.002 0.000 0.200 673 E C 0.670 177.260 176.600 -0.017 0.000 0.882 673 E CA 0.177 56.552 56.400 -0.041 0.000 1.061 673 E CB 0.412 30.087 29.700 -0.042 0.000 1.049 673 E HN 0.719 nan 8.360 nan 0.000 0.494 674 N N -0.742 117.944 118.700 -0.023 0.000 2.566 674 N HA 0.068 4.809 4.740 0.002 0.000 0.299 674 N C -0.447 175.059 175.510 -0.007 0.000 1.277 674 N CA -0.283 52.762 53.050 -0.007 0.000 0.965 674 N CB 0.646 39.128 38.487 -0.010 0.000 1.142 674 N HN -0.257 nan 8.380 nan 0.000 0.596 675 Q N -0.229 119.572 119.800 0.002 0.000 2.294 675 Q HA 0.112 4.453 4.340 0.002 0.000 0.207 675 Q C -0.777 175.220 176.000 -0.005 0.000 0.887 675 Q CA 0.494 56.300 55.803 0.006 0.000 0.987 675 Q CB -0.786 27.958 28.738 0.011 0.000 1.101 675 Q HN 0.366 nan 8.270 nan 0.000 0.447 676 T N -0.741 113.801 114.554 -0.020 0.000 2.916 676 T HA 0.560 4.911 4.350 0.002 0.000 0.298 676 T C -0.963 173.700 174.700 -0.062 0.000 1.031 676 T CA -0.910 61.169 62.100 -0.035 0.000 0.993 676 T CB 0.839 69.683 68.868 -0.040 0.000 1.045 676 T HN 0.145 nan 8.240 nan 0.000 0.454 677 R N 3.446 123.915 120.500 -0.051 0.000 2.368 677 R HA 0.635 4.976 4.340 0.002 0.000 0.302 677 R C -0.443 175.789 176.300 -0.114 0.000 1.002 677 R CA -0.753 55.306 56.100 -0.067 0.000 0.929 677 R CB 1.271 31.622 30.300 0.085 0.000 1.073 677 R HN 0.732 nan 8.270 nan 0.000 0.464 678 Q N 0.367 120.011 119.800 -0.261 0.000 2.503 678 Q HA 0.253 4.594 4.340 0.002 0.000 0.268 678 Q C -1.567 174.276 176.000 -0.261 0.000 0.982 678 Q CA -0.896 54.799 55.803 -0.179 0.000 0.907 678 Q CB 1.333 29.992 28.738 -0.132 0.000 1.467 678 Q HN 0.279 nan 8.270 nan 0.000 0.394 679 V N 1.725 121.568 119.914 -0.117 0.000 2.465 679 V HA 0.422 4.543 4.120 0.002 0.000 0.279 679 V C -0.202 175.794 176.094 -0.164 0.000 1.045 679 V CA -0.525 61.664 62.300 -0.185 0.000 0.938 679 V CB 1.444 33.168 31.823 -0.165 0.000 0.986 679 V HN 0.611 nan 8.190 nan 0.000 0.467 680 V N 4.259 124.063 119.914 -0.184 0.000 2.495 680 V HA 0.469 4.590 4.120 0.002 0.000 0.298 680 V C -0.325 175.712 176.094 -0.095 0.000 1.031 680 V CA -0.301 61.931 62.300 -0.113 0.000 0.871 680 V CB 1.772 33.536 31.823 -0.099 0.000 0.988 680 V HN 1.039 nan 8.190 nan 0.000 0.432 681 c N 2.922 121.488 118.600 -0.056 0.000 2.498 681 c HA 0.494 5.065 4.570 0.002 0.000 0.316 681 c C -0.429 173.655 174.090 -0.010 0.000 1.209 681 c CA -1.175 55.135 56.329 -0.032 0.000 1.518 681 c CB 1.448 43.943 42.510 -0.026 0.000 2.147 681 c HN 0.840 nan 8.230 nan 0.000 0.483 682 D N 2.169 122.570 120.400 0.002 0.000 2.336 682 D HA 0.327 4.968 4.640 0.002 0.000 0.249 682 D C 0.050 176.357 176.300 0.012 0.000 1.213 682 D CA -0.161 53.846 54.000 0.012 0.000 0.870 682 D CB 0.618 41.429 40.800 0.018 0.000 1.076 682 D HN 0.216 nan 8.370 nan 0.000 0.483 683 L N 2.446 123.676 121.223 0.011 0.000 2.928 683 L HA 0.344 4.685 4.340 0.002 0.000 0.236 683 L C 0.827 177.703 176.870 0.010 0.000 1.290 683 L CA -0.060 54.785 54.840 0.007 0.000 1.099 683 L CB -0.599 41.461 42.059 0.001 0.000 1.437 683 L HN 0.636 nan 8.230 nan 0.000 0.493 684 G N 0.084 108.895 108.800 0.019 0.000 3.396 684 G HA2 -0.312 3.649 3.960 0.002 0.000 0.682 684 G HA3 -0.312 3.649 3.960 0.002 0.000 0.682 684 G C 0.583 175.506 174.900 0.039 0.000 0.924 684 G CA 0.296 45.411 45.100 0.025 0.000 0.770 684 G HN 0.458 nan 8.290 nan 0.000 0.484 685 N N 2.099 120.838 118.700 0.065 0.000 2.004 685 N HA -0.061 4.680 4.740 0.002 0.000 0.196 685 N C -1.479 174.097 175.510 0.110 0.000 1.080 685 N CA 1.604 54.723 53.050 0.115 0.000 0.881 685 N CB -0.015 38.563 38.487 0.151 0.000 1.073 685 N HN 0.479 nan 8.380 nan 0.000 0.439 686 P HA 0.075 nan 4.420 nan 0.000 0.277 686 P C -1.000 176.304 177.300 0.006 0.000 1.354 686 P CA 0.372 63.512 63.100 0.067 0.000 0.891 686 P CB 0.521 32.296 31.700 0.124 0.000 1.058 687 M N 3.929 123.511 119.600 -0.030 0.000 2.307 687 M HA 0.032 4.513 4.480 0.002 0.000 0.346 687 M C 0.991 177.261 176.300 -0.050 0.000 1.552 687 M CA 0.261 55.542 55.300 -0.030 0.000 1.116 687 M CB 0.376 32.953 32.600 -0.039 0.000 1.889 687 M HN 0.140 nan 8.290 nan 0.000 0.460 688 K N 3.772 124.153 120.400 -0.031 0.000 2.037 688 K HA 0.192 4.513 4.320 0.002 0.000 0.224 688 K C -0.383 176.187 176.600 -0.050 0.000 0.963 688 K CA 1.676 57.942 56.287 -0.035 0.000 1.063 688 K CB 0.085 32.575 32.500 -0.018 0.000 0.779 688 K HN 0.792 nan 8.250 nan 0.000 0.512 689 A N -1.558 121.240 122.820 -0.037 0.000 2.541 689 A HA 0.523 4.844 4.320 0.002 0.000 0.285 689 A C 0.059 177.626 177.584 -0.027 0.000 1.058 689 A CA -0.150 51.864 52.037 -0.038 0.000 0.886 689 A CB 0.637 19.614 19.000 -0.039 0.000 1.411 689 A HN 0.688 nan 8.150 nan 0.000 0.403 690 G N 1.567 110.351 108.800 -0.026 0.000 2.176 690 G HA2 -0.131 3.831 3.960 0.002 0.000 0.232 690 G HA3 -0.131 3.831 3.960 0.002 0.000 0.232 690 G C 0.371 175.260 174.900 -0.018 0.000 0.986 690 G CA 0.268 45.356 45.100 -0.020 0.000 0.643 690 G HN 1.361 nan 8.290 nan 0.000 0.522 691 T N 0.736 115.278 114.554 -0.020 0.000 2.916 691 T HA 0.433 4.784 4.350 0.002 0.000 0.303 691 T C 0.147 174.838 174.700 -0.015 0.000 1.025 691 T CA 0.747 62.837 62.100 -0.016 0.000 1.142 691 T CB 1.563 70.421 68.868 -0.017 0.000 0.947 691 T HN 0.492 nan 8.240 nan 0.000 0.544 692 Q N 2.933 122.726 119.800 -0.012 0.000 2.310 692 Q HA 0.466 4.808 4.340 0.002 0.000 0.270 692 Q C -1.627 174.367 176.000 -0.010 0.000 1.025 692 Q CA -0.850 54.946 55.803 -0.012 0.000 0.772 692 Q CB 0.776 29.507 28.738 -0.012 0.000 1.253 692 Q HN 0.371 nan 8.270 nan 0.000 0.450 693 L N 4.095 125.313 121.223 -0.009 0.000 2.334 693 L HA 0.576 4.917 4.340 0.002 0.000 0.273 693 L C -0.851 176.014 176.870 -0.009 0.000 1.013 693 L CA -0.740 54.096 54.840 -0.007 0.000 0.816 693 L CB 1.651 43.707 42.059 -0.005 0.000 1.278 693 L HN 0.692 nan 8.230 nan 0.000 0.431 694 L N 2.648 123.866 121.223 -0.009 0.000 2.440 694 L HA 0.603 4.944 4.340 0.002 0.000 0.261 694 L C -0.377 176.486 176.870 -0.012 0.000 1.382 694 L CA -0.048 54.785 54.840 -0.012 0.000 0.871 694 L CB 0.845 42.896 42.059 -0.014 0.000 1.052 694 L HN 0.674 nan 8.230 nan 0.000 0.509 695 A N 1.114 123.928 122.820 -0.010 0.000 2.248 695 A HA 0.968 5.289 4.320 0.002 0.000 0.316 695 A C 0.209 177.782 177.584 -0.019 0.000 1.101 695 A CA -0.030 52.001 52.037 -0.010 0.000 0.875 695 A CB 0.955 19.955 19.000 0.000 0.000 1.207 695 A HN 0.730 nan 8.150 nan 0.000 0.504 696 G N -0.721 108.062 108.800 -0.027 0.000 2.452 696 G HA2 0.584 4.546 3.960 0.002 0.000 0.324 696 G HA3 0.584 4.546 3.960 0.002 0.000 0.324 696 G C -1.192 173.665 174.900 -0.071 0.000 1.214 696 G CA -0.539 44.529 45.100 -0.054 0.000 0.947 696 G HN 0.619 nan 8.290 nan 0.000 0.478 697 L N 2.097 123.237 121.223 -0.139 0.000 2.372 697 L HA 0.508 4.849 4.340 0.002 0.000 0.273 697 L C 0.283 176.769 176.870 -0.640 0.000 0.989 697 L CA -0.972 53.720 54.840 -0.248 0.000 0.841 697 L CB 1.786 43.766 42.059 -0.132 0.000 1.225 697 L HN 0.674 nan 8.230 nan 0.000 0.414 698 R N 1.718 121.862 120.500 -0.594 0.000 2.457 698 R HA 0.838 5.179 4.340 0.002 0.000 0.284 698 R C -1.259 174.530 176.300 -0.851 0.000 1.024 698 R CA -0.442 55.286 56.100 -0.620 0.000 1.025 698 R CB 1.195 31.313 30.300 -0.304 0.000 1.063 698 R HN 0.235 nan 8.270 nan 0.000 0.493 699 F N -0.337 119.616 119.950 0.004 0.000 3.084 699 F HA 0.573 5.101 4.527 0.002 0.000 0.336 699 F C -0.132 175.645 175.800 -0.038 0.000 1.230 699 F CA -1.354 56.661 58.000 0.025 0.000 0.993 699 F CB 1.541 40.621 39.000 0.133 0.000 1.496 699 F HN 0.543 nan 8.300 nan 0.000 0.522 700 S N 0.692 116.499 115.700 0.180 0.000 2.357 700 S HA 0.335 4.806 4.470 0.002 0.000 0.209 700 S C -1.711 172.695 174.600 -0.323 0.000 0.981 700 S CA -0.420 57.743 58.200 -0.061 0.000 1.106 700 S CB 0.387 63.538 63.200 -0.083 0.000 1.266 700 S HN 0.655 nan 8.310 nan 0.000 0.410 701 V N 6.510 126.315 119.914 -0.181 0.000 2.655 701 V HA 0.393 4.514 4.120 0.002 0.000 0.300 701 V C -0.567 175.332 176.094 -0.324 0.000 1.044 701 V CA 0.396 62.561 62.300 -0.225 0.000 1.095 701 V CB 0.474 32.264 31.823 -0.055 0.000 0.952 701 V HN 0.820 nan 8.190 nan 0.000 0.485 702 H N 7.134 126.207 119.070 0.005 0.000 2.519 702 H HA 0.196 4.753 4.556 0.002 0.000 0.316 702 H C 0.860 176.182 175.328 -0.009 0.000 1.065 702 H CA -0.025 56.025 56.048 0.002 0.000 1.264 702 H CB 1.665 31.426 29.762 -0.001 0.000 1.413 702 H HN 0.857 nan 8.280 nan 0.000 0.465 703 Q N 3.545 123.403 119.800 0.098 0.000 2.265 703 Q HA -0.458 3.883 4.340 0.002 0.000 0.219 703 Q C 0.968 176.982 176.000 0.023 0.000 1.031 703 Q CA 2.694 58.523 55.803 0.043 0.000 0.949 703 Q CB 0.004 28.775 28.738 0.055 0.000 1.022 703 Q HN 0.859 nan 8.270 nan 0.000 0.419 704 Q N -0.727 119.098 119.800 0.043 0.000 1.813 704 Q HA -0.442 3.899 4.340 0.002 0.000 0.169 704 Q C 1.082 177.120 176.000 0.063 0.000 2.933 704 Q CA 4.911 60.736 55.803 0.037 0.000 0.257 704 Q CB -1.433 27.313 28.738 0.014 0.000 0.270 704 Q HN 1.292 nan 8.270 nan 0.000 0.377 705 S N -2.651 113.079 115.700 0.051 0.000 1.231 705 S HA -0.283 4.189 4.470 0.002 0.000 0.252 705 S C 0.335 175.043 174.600 0.179 0.000 0.572 705 S CA 1.245 59.523 58.200 0.129 0.000 0.992 705 S CB -1.962 61.433 63.200 0.326 0.000 0.917 705 S HN 1.018 nan 8.310 nan 0.000 0.491 706 E N 1.198 121.500 120.200 0.170 0.000 2.989 706 E HA 0.534 4.885 4.350 0.002 0.000 0.207 706 E C 0.520 177.164 176.600 0.073 0.000 0.989 706 E CA -0.403 56.091 56.400 0.157 0.000 1.186 706 E CB 0.290 30.087 29.700 0.162 0.000 1.141 706 E HN 0.534 nan 8.360 nan 0.000 0.454 707 M N 2.101 121.724 119.600 0.039 0.000 2.834 707 M HA -0.072 4.409 4.480 0.002 0.000 0.208 707 M C -0.555 175.748 176.300 0.004 0.000 1.062 707 M CA 0.876 56.182 55.300 0.011 0.000 1.049 707 M CB -1.205 31.387 32.600 -0.013 0.000 1.768 707 M HN 0.303 nan 8.290 nan 0.000 0.506 708 D N -2.105 118.307 120.400 0.021 0.000 4.783 708 D HA -0.269 4.372 4.640 0.002 0.000 0.147 708 D C 0.862 177.168 176.300 0.011 0.000 0.672 708 D CA 1.910 55.920 54.000 0.018 0.000 1.358 708 D CB -1.202 39.602 40.800 0.007 0.000 0.855 708 D HN 0.393 nan 8.370 nan 0.000 0.544 709 T N -1.162 113.389 114.554 -0.006 0.000 3.270 709 T HA 0.235 4.586 4.350 0.002 0.000 0.279 709 T C -0.898 173.785 174.700 -0.028 0.000 0.857 709 T CA 1.181 63.271 62.100 -0.016 0.000 0.849 709 T CB -0.003 68.862 68.868 -0.006 0.000 1.241 709 T HN 0.606 nan 8.240 nan 0.000 0.663 710 S N 0.383 116.066 115.700 -0.028 0.000 2.546 710 S HA 0.778 5.249 4.470 0.002 0.000 0.274 710 S C -1.191 173.377 174.600 -0.052 0.000 1.121 710 S CA -0.692 57.489 58.200 -0.032 0.000 0.887 710 S CB 2.046 65.239 63.200 -0.012 0.000 1.094 710 S HN 0.053 nan 8.310 nan 0.000 0.474 711 V N 3.043 122.917 119.914 -0.067 0.000 2.347 711 V HA 0.511 4.632 4.120 0.002 0.000 0.280 711 V C 0.124 176.135 176.094 -0.140 0.000 1.021 711 V CA -0.553 61.671 62.300 -0.127 0.000 0.847 711 V CB 1.024 32.760 31.823 -0.146 0.000 0.990 711 V HN 1.014 nan 8.190 nan 0.000 0.444 712 K N 4.441 124.732 120.400 -0.182 0.000 2.156 712 K HA 0.758 5.079 4.320 0.002 0.000 0.250 712 K C -1.406 175.034 176.600 -0.266 0.000 0.955 712 K CA -0.515 55.705 56.287 -0.111 0.000 0.855 712 K CB 1.665 34.145 32.500 -0.032 0.000 1.101 712 K HN 0.281 nan 8.250 nan 0.000 0.434 713 F N 0.434 120.321 119.950 -0.105 0.000 2.579 713 F HA 0.371 4.899 4.527 0.002 0.000 0.324 713 F C -0.610 175.189 175.800 -0.003 0.000 1.058 713 F CA -0.779 57.180 58.000 -0.069 0.000 0.944 713 F CB 1.996 40.960 39.000 -0.060 0.000 1.245 713 F HN 0.505 nan 8.300 nan 0.000 0.477 714 D N 2.561 123.068 120.400 0.178 0.000 2.549 714 D HA 0.465 5.106 4.640 0.002 0.000 0.251 714 D C -0.886 175.478 176.300 0.106 0.000 1.153 714 D CA -0.155 53.914 54.000 0.115 0.000 0.861 714 D CB 1.893 42.724 40.800 0.052 0.000 1.207 714 D HN 0.272 nan 8.370 nan 0.000 0.543 715 L N 1.953 123.237 121.223 0.101 0.000 2.295 715 L HA 0.548 4.889 4.340 0.002 0.000 0.285 715 L C 0.007 176.903 176.870 0.045 0.000 1.035 715 L CA -0.441 54.444 54.840 0.075 0.000 0.806 715 L CB 1.489 43.595 42.059 0.078 0.000 1.214 715 L HN 0.172 nan 8.230 nan 0.000 0.426 716 Q N 3.366 123.184 119.800 0.030 0.000 2.403 716 Q HA 0.476 4.817 4.340 0.002 0.000 0.267 716 Q C -1.846 174.160 176.000 0.010 0.000 0.991 716 Q CA -0.517 55.297 55.803 0.017 0.000 0.906 716 Q CB 2.663 31.409 28.738 0.013 0.000 1.422 716 Q HN 0.605 nan 8.270 nan 0.000 0.400 717 I N 2.666 123.240 120.570 0.006 0.000 2.676 717 I HA 0.444 4.615 4.170 0.002 0.000 0.309 717 I C -0.099 176.018 176.117 0.000 0.000 0.990 717 I CA -0.514 60.787 61.300 0.001 0.000 1.168 717 I CB 1.818 39.817 38.000 -0.002 0.000 1.343 717 I HN 0.654 nan 8.210 nan 0.000 0.482 718 Q N 2.800 122.600 119.800 0.001 0.000 2.590 718 Q HA 0.773 5.114 4.340 0.002 0.000 0.295 718 Q C -1.642 174.364 176.000 0.009 0.000 0.973 718 Q CA -0.873 54.932 55.803 0.004 0.000 0.768 718 Q CB 2.451 31.193 28.738 0.006 0.000 1.479 718 Q HN 0.716 nan 8.270 nan 0.000 0.419 719 S N -0.683 115.027 115.700 0.017 0.000 2.611 719 S HA 0.356 4.827 4.470 0.002 0.000 0.268 719 S C -0.027 174.607 174.600 0.055 0.000 1.156 719 S CA -0.194 58.023 58.200 0.029 0.000 0.817 719 S CB 1.071 64.270 63.200 -0.002 0.000 1.122 719 S HN 1.006 nan 8.310 nan 0.000 0.466 720 S N -0.105 115.650 115.700 0.092 0.000 2.660 720 S HA 0.104 4.575 4.470 0.002 0.000 0.223 720 S C 0.329 175.024 174.600 0.159 0.000 0.963 720 S CA -0.075 58.194 58.200 0.114 0.000 0.932 720 S CB -1.115 62.157 63.200 0.120 0.000 0.775 720 S HN 0.670 nan 8.310 nan 0.000 0.531 721 N N 0.526 119.320 118.700 0.157 0.000 2.453 721 N HA 0.246 4.987 4.740 0.002 0.000 0.253 721 N C 0.994 176.605 175.510 0.168 0.000 1.252 721 N CA -0.216 52.944 53.050 0.183 0.000 0.917 721 N CB 0.492 39.009 38.487 0.050 0.000 1.117 721 N HN 0.174 nan 8.380 nan 0.000 0.442 722 L N 1.272 122.627 121.223 0.220 0.000 2.072 722 L HA 0.062 4.403 4.340 0.002 0.000 0.205 722 L C 0.168 177.254 176.870 0.360 0.000 1.079 722 L CA 0.799 55.801 54.840 0.270 0.000 0.752 722 L CB -0.083 42.162 42.059 0.310 0.000 0.906 722 L HN 0.479 nan 8.230 nan 0.000 0.436 723 F N -0.189 119.775 119.950 0.023 0.000 2.443 723 F HA 0.171 4.699 4.527 0.002 0.000 0.335 723 F C 0.286 176.082 175.800 -0.006 0.000 1.104 723 F CA -1.015 56.990 58.000 0.008 0.000 1.013 723 F CB 1.234 40.237 39.000 0.005 0.000 1.136 723 F HN 0.029 nan 8.300 nan 0.000 0.470 724 D N 0.505 120.955 120.400 0.084 0.000 2.751 724 D HA -0.249 4.392 4.640 0.002 0.000 0.233 724 D C 0.974 177.290 176.300 0.028 0.000 1.149 724 D CA 0.891 54.915 54.000 0.041 0.000 0.682 724 D CB -0.609 40.227 40.800 0.061 0.000 1.068 724 D HN 0.650 nan 8.370 nan 0.000 0.429 725 K N -1.069 119.349 120.400 0.029 0.000 2.589 725 K HA -0.025 4.296 4.320 0.002 0.000 0.195 725 K C 0.918 177.523 176.600 0.008 0.000 1.040 725 K CA 1.202 57.503 56.287 0.023 0.000 0.950 725 K CB -0.099 32.423 32.500 0.036 0.000 0.781 725 K HN 0.445 nan 8.250 nan 0.000 0.486 726 V N -2.933 116.982 119.914 0.001 0.000 3.076 726 V HA 0.599 4.720 4.120 0.002 0.000 0.311 726 V C -0.826 175.266 176.094 -0.004 0.000 1.346 726 V CA -0.688 61.611 62.300 -0.002 0.000 1.056 726 V CB 1.626 33.448 31.823 -0.002 0.000 1.093 726 V HN 0.235 nan 8.190 nan 0.000 0.468 727 S N -0.336 115.362 115.700 -0.003 0.000 2.599 727 S HA 0.765 5.236 4.470 0.002 0.000 0.287 727 S C -3.202 171.397 174.600 -0.000 0.000 1.105 727 S CA -1.471 56.728 58.200 -0.003 0.000 0.899 727 S CB 1.717 64.916 63.200 -0.002 0.000 1.100 727 S HN 0.978 nan 8.310 nan 0.000 0.482 728 P HA 0.121 nan 4.420 nan 0.000 0.266 728 P C -0.198 177.106 177.300 0.006 0.000 1.215 728 P CA -0.116 62.985 63.100 0.002 0.000 0.763 728 P CB 0.216 31.916 31.700 0.000 0.000 0.806 729 V N 4.885 124.804 119.914 0.009 0.000 2.617 729 V HA -0.046 4.075 4.120 0.002 0.000 0.304 729 V C 0.855 176.963 176.094 0.023 0.000 1.040 729 V CA 0.321 62.631 62.300 0.017 0.000 1.149 729 V CB 0.577 32.409 31.823 0.016 0.000 0.914 729 V HN 0.287 nan 8.190 nan 0.000 0.487 730 V N 4.581 124.515 119.914 0.033 0.000 2.378 730 V HA 0.403 4.524 4.120 0.002 0.000 0.288 730 V C 0.213 176.351 176.094 0.073 0.000 1.016 730 V CA -0.205 62.120 62.300 0.042 0.000 0.840 730 V CB 1.582 33.424 31.823 0.032 0.000 0.994 730 V HN 0.914 nan 8.190 nan 0.000 0.431 731 S N 3.224 118.972 115.700 0.080 0.000 2.617 731 S HA 0.638 5.109 4.470 0.002 0.000 0.283 731 S C -0.831 173.886 174.600 0.194 0.000 1.189 731 S CA -0.311 57.960 58.200 0.118 0.000 1.036 731 S CB 0.742 63.991 63.200 0.082 0.000 1.014 731 S HN 0.914 nan 8.310 nan 0.000 0.522 732 H N 2.705 121.838 119.070 0.105 0.000 3.240 732 H HA 0.363 4.920 4.556 0.002 0.000 0.326 732 H C -1.047 174.388 175.328 0.178 0.000 1.015 732 H CA -0.774 55.344 56.048 0.116 0.000 1.504 732 H CB 0.576 30.396 29.762 0.098 0.000 1.754 732 H HN 0.735 nan 8.280 nan 0.000 0.505 733 K N 3.694 124.226 120.400 0.220 0.000 2.156 733 K HA 0.626 4.947 4.320 0.002 0.000 0.271 733 K C -1.197 175.388 176.600 -0.025 0.000 0.995 733 K CA -0.935 55.374 56.287 0.037 0.000 0.890 733 K CB 1.874 34.409 32.500 0.058 0.000 1.073 733 K HN 0.154 nan 8.250 nan 0.000 0.454 734 V N 1.666 121.535 119.914 -0.076 0.000 2.459 734 V HA 0.169 4.290 4.120 0.002 0.000 0.295 734 V C -0.520 175.567 176.094 -0.012 0.000 1.029 734 V CA -0.914 61.367 62.300 -0.031 0.000 0.874 734 V CB 1.265 33.077 31.823 -0.019 0.000 0.985 734 V HN 0.867 nan 8.190 nan 0.000 0.438 735 D N 3.234 123.631 120.400 -0.006 0.000 2.308 735 D HA 0.455 5.096 4.640 0.002 0.000 0.251 735 D C -0.502 175.763 176.300 -0.058 0.000 1.127 735 D CA -0.314 53.670 54.000 -0.025 0.000 0.876 735 D CB 0.971 41.763 40.800 -0.013 0.000 1.176 735 D HN 0.318 nan 8.370 nan 0.000 0.446 736 L N 2.819 124.006 121.223 -0.061 0.000 2.397 736 L HA 0.546 4.888 4.340 0.002 0.000 0.271 736 L C 0.499 177.323 176.870 -0.076 0.000 1.148 736 L CA -0.008 54.782 54.840 -0.084 0.000 0.825 736 L CB 0.779 42.781 42.059 -0.095 0.000 1.117 736 L HN 0.456 nan 8.230 nan 0.000 0.456 737 A N 2.709 125.492 122.820 -0.062 0.000 2.437 737 A HA 0.917 5.238 4.320 0.002 0.000 0.292 737 A C -1.246 176.377 177.584 0.065 0.000 1.173 737 A CA -0.591 51.458 52.037 0.021 0.000 0.785 737 A CB 1.661 20.710 19.000 0.081 0.000 1.351 737 A HN 0.334 nan 8.150 nan 0.000 0.431 738 V N 0.612 120.575 119.914 0.081 0.000 2.448 738 V HA 0.639 4.760 4.120 0.002 0.000 0.295 738 V C -0.681 175.451 176.094 0.064 0.000 1.025 738 V CA -0.291 62.038 62.300 0.048 0.000 0.859 738 V CB 1.160 32.950 31.823 -0.055 0.000 0.988 738 V HN 0.727 nan 8.190 nan 0.000 0.431 739 L N 4.214 125.470 121.223 0.055 0.000 2.516 739 L HA 0.840 5.181 4.340 0.002 0.000 0.267 739 L C -0.595 176.320 176.870 0.076 0.000 0.957 739 L CA -0.368 54.437 54.840 -0.058 0.000 0.860 739 L CB 1.864 43.628 42.059 -0.492 0.000 1.265 739 L HN 0.752 nan 8.230 nan 0.000 0.403 740 A N 4.209 127.132 122.820 0.171 0.000 2.855 740 A HA 0.708 5.029 4.320 0.002 0.000 0.313 740 A C -0.076 177.621 177.584 0.189 0.000 1.173 740 A CA -0.142 52.031 52.037 0.226 0.000 0.753 740 A CB 1.031 20.271 19.000 0.400 0.000 1.200 740 A HN 0.791 nan 8.150 nan 0.000 0.442 741 A N 2.170 125.055 122.820 0.108 0.000 2.639 741 A HA 0.503 4.824 4.320 0.002 0.000 0.295 741 A C 0.210 177.868 177.584 0.123 0.000 1.443 741 A CA 0.156 52.253 52.037 0.100 0.000 1.117 741 A CB -0.667 18.361 19.000 0.048 0.000 1.098 741 A HN 0.936 nan 8.150 nan 0.000 0.552 742 V N 3.380 123.407 119.914 0.189 0.000 2.539 742 V HA 0.521 4.642 4.120 0.002 0.000 0.292 742 V C 0.249 176.401 176.094 0.097 0.000 1.045 742 V CA -0.366 62.025 62.300 0.152 0.000 0.945 742 V CB 1.298 33.286 31.823 0.275 0.000 0.993 742 V HN 1.025 nan 8.190 nan 0.000 0.464 743 E N 3.559 123.714 120.200 -0.075 0.000 2.393 743 E HA 0.699 5.050 4.350 0.002 0.000 0.273 743 E C -1.179 175.283 176.600 -0.230 0.000 0.918 743 E CA -0.936 55.422 56.400 -0.070 0.000 0.773 743 E CB 2.915 32.611 29.700 -0.006 0.000 1.275 743 E HN 0.557 nan 8.360 nan 0.000 0.451 744 I N 1.964 122.456 120.570 -0.129 0.000 2.537 744 I HA 0.329 4.500 4.170 0.002 0.000 0.276 744 I C -0.730 175.392 176.117 0.009 0.000 1.063 744 I CA -0.734 60.496 61.300 -0.116 0.000 1.144 744 I CB 0.382 38.316 38.000 -0.111 0.000 1.252 744 I HN 0.440 nan 8.210 nan 0.000 0.480 745 R N 4.479 124.974 120.500 -0.008 0.000 2.539 745 R HA 0.631 4.972 4.340 0.002 0.000 0.275 745 R C -0.023 176.285 176.300 0.013 0.000 1.077 745 R CA -0.357 55.744 56.100 0.001 0.000 1.097 745 R CB 1.533 31.820 30.300 -0.021 0.000 1.018 745 R HN 0.721 nan 8.270 nan 0.000 0.483 746 G N -0.429 108.346 108.800 -0.042 0.000 2.696 746 G HA2 0.531 4.492 3.960 0.002 0.000 0.295 746 G HA3 0.531 4.492 3.960 0.002 0.000 0.295 746 G C -1.697 173.053 174.900 -0.250 0.000 1.398 746 G CA -0.406 44.566 45.100 -0.214 0.000 0.920 746 G HN 0.432 nan 8.290 nan 0.000 0.492 747 V N 0.054 119.753 119.914 -0.359 0.000 2.966 747 V HA 0.685 4.806 4.120 0.002 0.000 0.288 747 V C -0.740 175.167 176.094 -0.312 0.000 1.380 747 V CA -0.505 61.635 62.300 -0.267 0.000 0.966 747 V CB 1.921 33.657 31.823 -0.146 0.000 1.115 747 V HN 1.237 nan 8.190 nan 0.000 0.436 748 S N 3.870 119.356 115.700 -0.357 0.000 2.499 748 S HA 0.451 4.922 4.470 0.002 0.000 0.279 748 S C 1.143 175.647 174.600 -0.159 0.000 1.219 748 S CA 0.598 58.568 58.200 -0.385 0.000 1.062 748 S CB 1.669 64.546 63.200 -0.539 0.000 0.978 748 S HN 1.148 nan 8.310 nan 0.000 0.489 749 S N 4.433 120.095 115.700 -0.063 0.000 2.355 749 S HA 0.105 4.576 4.470 0.002 0.000 0.210 749 S C -1.790 172.799 174.600 -0.018 0.000 1.035 749 S CA 0.676 58.864 58.200 -0.019 0.000 1.011 749 S CB -0.985 62.227 63.200 0.019 0.000 1.000 749 S HN 0.712 nan 8.310 nan 0.000 0.423 750 P HA 0.211 nan 4.420 nan 0.000 0.231 750 P C -0.072 177.210 177.300 -0.029 0.000 1.811 750 P CA -0.139 62.962 63.100 0.003 0.000 1.051 750 P CB -0.048 31.664 31.700 0.019 0.000 1.951 751 D N -0.089 120.281 120.400 -0.051 0.000 2.228 751 D HA -0.235 4.406 4.640 0.002 0.000 0.203 751 D C -0.140 176.095 176.300 -0.109 0.000 0.988 751 D CA 1.213 55.156 54.000 -0.095 0.000 0.864 751 D CB -0.250 40.496 40.800 -0.091 0.000 0.928 751 D HN 0.411 nan 8.370 nan 0.000 0.469 752 H N -0.310 118.648 119.070 -0.186 0.000 2.970 752 H HA 0.395 4.952 4.556 0.002 0.000 0.315 752 H C -1.129 173.926 175.328 -0.455 0.000 0.992 752 H CA -0.939 54.895 56.048 -0.356 0.000 1.363 752 H CB 1.648 31.160 29.762 -0.417 0.000 1.532 752 H HN -0.010 nan 8.280 nan 0.000 0.514 753 V N 3.991 123.788 119.914 -0.196 0.000 2.370 753 V HA 0.435 4.556 4.120 0.002 0.000 0.283 753 V C -0.884 175.073 176.094 -0.228 0.000 1.023 753 V CA -0.542 61.666 62.300 -0.153 0.000 0.857 753 V CB 0.360 32.130 31.823 -0.088 0.000 0.985 753 V HN 0.541 nan 8.190 nan 0.000 0.443 754 F N 5.717 125.677 119.950 0.017 0.000 2.404 754 F HA 0.377 4.905 4.527 0.002 0.000 0.359 754 F C 1.059 176.766 175.800 -0.156 0.000 1.134 754 F CA -0.493 57.477 58.000 -0.051 0.000 1.160 754 F CB 1.412 40.376 39.000 -0.060 0.000 1.186 754 F HN 0.478 nan 8.300 nan 0.000 0.526 755 L N 6.727 127.805 121.223 -0.240 0.000 2.261 755 L HA -0.070 4.271 4.340 0.002 0.000 0.216 755 L C -0.812 175.754 176.870 -0.507 0.000 1.114 755 L CA 1.372 55.874 54.840 -0.564 0.000 0.777 755 L CB -1.273 40.048 42.059 -1.230 0.000 0.910 755 L HN 0.331 nan 8.230 nan 0.000 0.440 756 P HA -0.087 nan 4.420 nan 0.000 0.234 756 P C -0.089 177.317 177.300 0.177 0.000 1.162 756 P CA 0.163 63.349 63.100 0.144 0.000 0.759 756 P CB -0.213 31.631 31.700 0.240 0.000 0.813 757 I N -1.283 119.343 120.570 0.093 0.000 2.990 757 I HA -0.199 3.972 4.170 0.002 0.000 0.126 757 I C -2.014 174.209 176.117 0.177 0.000 0.911 757 I CA -0.550 60.815 61.300 0.108 0.000 2.775 757 I CB -1.584 36.438 38.000 0.037 0.000 0.775 757 I HN 0.047 nan 8.210 nan 0.000 0.350 758 P HA 0.065 nan 4.420 nan 0.000 0.261 758 P C 0.038 177.433 177.300 0.158 0.000 1.203 758 P CA 0.146 63.320 63.100 0.124 0.000 0.767 758 P CB 0.096 31.845 31.700 0.083 0.000 0.785 759 N N 1.839 120.640 118.700 0.170 0.000 2.631 759 N HA -0.230 4.511 4.740 0.002 0.000 0.303 759 N C -1.324 174.330 175.510 0.240 0.000 1.241 759 N CA 0.199 53.352 53.050 0.172 0.000 0.725 759 N CB -1.143 37.406 38.487 0.104 0.000 0.989 759 N HN 0.443 nan 8.380 nan 0.000 0.548 760 W N 2.586 123.920 121.300 0.056 0.000 2.900 760 W HA 0.508 5.169 4.660 0.002 0.000 0.336 760 W C -1.197 175.332 176.519 0.018 0.000 1.064 760 W CA -0.921 56.434 57.345 0.018 0.000 1.237 760 W CB 1.446 30.910 29.460 0.007 0.000 1.391 760 W HN 0.368 nan 8.180 nan 0.000 0.468 761 E N 3.579 123.399 120.200 -0.633 0.000 2.204 761 E HA 0.056 4.407 4.350 0.002 0.000 0.276 761 E C -0.735 175.177 176.600 -1.148 0.000 0.974 761 E CA -0.918 55.068 56.400 -0.689 0.000 0.815 761 E CB 1.127 30.633 29.700 -0.324 0.000 1.119 761 E HN 0.306 nan 8.360 nan 0.000 0.393 762 H N 3.890 122.340 119.070 -1.032 0.000 2.911 762 H HA 0.165 4.723 4.556 0.002 0.000 0.273 762 H C -0.950 174.103 175.328 -0.459 0.000 1.157 762 H CA -0.276 55.253 56.048 -0.865 0.000 1.402 762 H CB -0.106 29.294 29.762 -0.602 0.000 1.463 762 H HN 0.178 nan 8.280 nan 0.000 0.475 763 K N 3.276 123.526 120.400 -0.249 0.000 2.185 763 K HA 0.056 4.377 4.320 0.002 0.000 0.271 763 K C 1.395 177.996 176.600 0.002 0.000 1.013 763 K CA -0.362 55.865 56.287 -0.101 0.000 0.943 763 K CB 1.080 33.490 32.500 -0.150 0.000 0.998 763 K HN 0.703 nan 8.250 nan 0.000 0.468 764 E N 1.391 121.611 120.200 0.034 0.000 2.028 764 E HA -0.132 4.219 4.350 0.002 0.000 0.190 764 E C -0.232 176.391 176.600 0.037 0.000 0.984 764 E CA 0.973 57.411 56.400 0.063 0.000 0.800 764 E CB 0.268 29.989 29.700 0.034 0.000 0.758 764 E HN 0.352 nan 8.360 nan 0.000 0.448 765 N N 0.803 119.509 118.700 0.012 0.000 2.577 765 N HA 0.223 4.964 4.740 0.002 0.000 0.275 765 N C -2.768 172.739 175.510 -0.004 0.000 1.091 765 N CA -1.378 51.685 53.050 0.022 0.000 0.843 765 N CB 1.855 40.365 38.487 0.037 0.000 1.295 765 N HN 0.067 nan 8.380 nan 0.000 0.530 766 P HA 0.181 nan 4.420 nan 0.000 0.270 766 P C -0.323 176.968 177.300 -0.014 0.000 1.223 766 P CA 0.215 63.288 63.100 -0.045 0.000 0.785 766 P CB 1.522 33.172 31.700 -0.084 0.000 0.923 767 E N -1.269 118.919 120.200 -0.021 0.000 2.653 767 E HA 0.095 4.446 4.350 0.002 0.000 0.218 767 E C -0.084 176.513 176.600 -0.005 0.000 0.911 767 E CA 0.210 56.608 56.400 -0.004 0.000 1.355 767 E CB 0.569 30.270 29.700 0.001 0.000 1.314 767 E HN 0.646 nan 8.360 nan 0.000 0.686 768 T N -2.925 111.619 114.554 -0.016 0.000 2.864 768 T HA 0.361 4.712 4.350 0.002 0.000 0.299 768 T C 0.632 175.324 174.700 -0.014 0.000 1.166 768 T CA -0.773 61.323 62.100 -0.007 0.000 1.007 768 T CB 1.683 70.552 68.868 0.002 0.000 1.219 768 T HN -0.152 nan 8.240 nan 0.000 0.506 769 E N 0.366 120.566 120.200 0.001 0.000 2.097 769 E HA -0.184 4.167 4.350 0.002 0.000 0.196 769 E C 1.746 178.351 176.600 0.009 0.000 1.000 769 E CA 1.307 57.709 56.400 0.004 0.000 0.804 769 E CB 0.008 29.721 29.700 0.021 0.000 0.740 769 E HN 0.624 nan 8.360 nan 0.000 0.454 770 E N 0.917 121.130 120.200 0.021 0.000 2.204 770 E HA -0.174 4.177 4.350 0.002 0.000 0.195 770 E C 1.467 178.112 176.600 0.075 0.000 0.990 770 E CA 0.906 57.332 56.400 0.044 0.000 0.821 770 E CB -0.074 29.648 29.700 0.037 0.000 0.750 770 E HN 0.336 nan 8.360 nan 0.000 0.477 771 D N 0.083 120.504 120.400 0.034 0.000 2.183 771 D HA -0.102 4.539 4.640 0.002 0.000 0.203 771 D C 2.161 178.511 176.300 0.083 0.000 0.969 771 D CA 0.971 54.985 54.000 0.025 0.000 0.842 771 D CB -0.039 40.731 40.800 -0.050 0.000 0.957 771 D HN 0.197 nan 8.370 nan 0.000 0.484 772 V N -2.062 117.844 119.914 -0.013 0.000 2.326 772 V HA 0.478 4.599 4.120 0.002 0.000 0.238 772 V C 1.228 177.206 176.094 -0.193 0.000 1.038 772 V CA 1.146 63.359 62.300 -0.146 0.000 1.032 772 V CB -0.723 30.996 31.823 -0.173 0.000 0.675 772 V HN 0.223 nan 8.190 nan 0.000 0.467 773 G N -0.042 108.670 108.800 -0.146 0.000 2.321 773 G HA2 0.451 4.412 3.960 0.002 0.000 0.296 773 G HA3 0.451 4.412 3.960 0.002 0.000 0.296 773 G C -3.381 171.458 174.900 -0.102 0.000 1.287 773 G CA -0.257 44.701 45.100 -0.237 0.000 0.846 773 G HN 0.364 nan 8.290 nan 0.000 0.508 774 P HA 0.413 nan 4.420 nan 0.000 0.275 774 P C 0.196 177.499 177.300 0.004 0.000 1.228 774 P CA -0.133 62.946 63.100 -0.034 0.000 0.786 774 P CB 1.523 33.199 31.700 -0.040 0.000 0.927 775 V N 2.889 122.819 119.914 0.026 0.000 2.924 775 V HA 0.104 4.225 4.120 0.002 0.000 0.305 775 V C 0.555 176.691 176.094 0.070 0.000 1.073 775 V CA 0.249 62.580 62.300 0.053 0.000 1.098 775 V CB 1.218 33.068 31.823 0.044 0.000 1.000 775 V HN 0.304 nan 8.190 nan 0.000 0.484 776 V N 4.434 124.419 119.914 0.118 0.000 2.569 776 V HA 0.417 4.538 4.120 0.002 0.000 0.301 776 V C -0.476 175.762 176.094 0.239 0.000 1.044 776 V CA -0.599 61.798 62.300 0.162 0.000 0.874 776 V CB 1.615 33.553 31.823 0.192 0.000 1.002 776 V HN 0.912 nan 8.190 nan 0.000 0.424 777 Q N 3.199 123.133 119.800 0.223 0.000 2.363 777 Q HA 0.471 4.812 4.340 0.002 0.000 0.265 777 Q C -1.294 174.881 176.000 0.292 0.000 1.032 777 Q CA -0.706 55.245 55.803 0.247 0.000 0.746 777 Q CB 1.042 29.858 28.738 0.130 0.000 1.237 777 Q HN 0.856 nan 8.270 nan 0.000 0.475 778 H N 3.153 122.348 119.070 0.208 0.000 2.548 778 H HA 0.414 4.971 4.556 0.002 0.000 0.331 778 H C -0.481 174.893 175.328 0.077 0.000 1.093 778 H CA 0.034 56.161 56.048 0.132 0.000 1.367 778 H CB 0.738 30.719 29.762 0.364 0.000 1.455 778 H HN 0.532 nan 8.280 nan 0.000 0.519 779 I N 3.827 124.378 120.570 -0.033 0.000 2.436 779 I HA 0.233 4.404 4.170 0.002 0.000 0.289 779 I C -0.976 174.997 176.117 -0.240 0.000 1.010 779 I CA -0.659 60.641 61.300 -0.001 0.000 1.098 779 I CB 1.267 39.321 38.000 0.091 0.000 1.266 779 I HN 0.492 nan 8.210 nan 0.000 0.434 780 Y N 4.289 124.574 120.300 -0.025 0.000 2.350 780 Y HA 0.413 4.964 4.550 0.002 0.000 0.338 780 Y C -0.109 175.708 175.900 -0.140 0.000 0.961 780 Y CA -0.617 57.451 58.100 -0.054 0.000 1.100 780 Y CB 2.017 40.465 38.460 -0.020 0.000 1.179 780 Y HN 0.463 nan 8.280 nan 0.000 0.454 781 E N 4.057 124.282 120.200 0.042 0.000 2.218 781 E HA 0.402 4.753 4.350 0.002 0.000 0.263 781 E C -2.054 174.499 176.600 -0.079 0.000 0.879 781 E CA -1.010 55.358 56.400 -0.055 0.000 0.762 781 E CB 1.535 31.194 29.700 -0.068 0.000 1.166 781 E HN 0.601 nan 8.360 nan 0.000 0.415 782 L N 5.082 126.231 121.223 -0.124 0.000 2.272 782 L HA 0.485 4.826 4.340 0.002 0.000 0.289 782 L C -0.860 175.919 176.870 -0.152 0.000 1.032 782 L CA -0.164 54.546 54.840 -0.217 0.000 0.810 782 L CB 0.977 42.908 42.059 -0.214 0.000 1.205 782 L HN 0.583 nan 8.230 nan 0.000 0.422 783 R N 3.693 124.098 120.500 -0.157 0.000 2.502 783 R HA 0.420 4.761 4.340 0.002 0.000 0.300 783 R C -1.196 175.074 176.300 -0.050 0.000 0.984 783 R CA -0.617 55.430 56.100 -0.089 0.000 0.882 783 R CB 0.933 31.193 30.300 -0.067 0.000 1.180 783 R HN 0.706 nan 8.270 nan 0.000 0.444 784 N N 3.129 121.813 118.700 -0.026 0.000 2.422 784 N HA 0.164 4.905 4.740 0.002 0.000 0.264 784 N C -0.600 174.914 175.510 0.007 0.000 1.063 784 N CA -0.203 52.867 53.050 0.033 0.000 0.959 784 N CB 1.016 39.495 38.487 -0.014 0.000 1.087 784 N HN 0.673 nan 8.380 nan 0.000 0.483 785 N N 1.856 120.576 118.700 0.034 0.000 2.510 785 N HA 0.080 4.821 4.740 0.002 0.000 0.186 785 N C 0.667 176.199 175.510 0.037 0.000 1.051 785 N CA 0.011 53.075 53.050 0.023 0.000 0.877 785 N CB -0.162 38.336 38.487 0.018 0.000 1.183 785 N HN 0.561 nan 8.380 nan 0.000 0.443 786 G N 3.287 112.122 108.800 0.058 0.000 2.464 786 G HA2 0.002 3.963 3.960 0.002 0.000 0.231 786 G HA3 0.002 3.963 3.960 0.002 0.000 0.231 786 G C -1.093 173.848 174.900 0.068 0.000 1.267 786 G CA -0.607 44.525 45.100 0.052 0.000 0.863 786 G HN 0.054 nan 8.290 nan 0.000 0.559 787 P HA -0.120 nan 4.420 nan 0.000 0.215 787 P C 0.801 178.179 177.300 0.130 0.000 1.163 787 P CA 0.934 64.085 63.100 0.084 0.000 0.894 787 P CB -0.060 31.695 31.700 0.090 0.000 0.791 788 S N 0.872 116.676 115.700 0.174 0.000 2.533 788 S HA 0.215 4.686 4.470 0.002 0.000 0.282 788 S C 0.790 175.592 174.600 0.337 0.000 1.304 788 S CA -0.434 57.954 58.200 0.314 0.000 1.063 788 S CB -0.106 63.317 63.200 0.372 0.000 0.881 788 S HN 0.269 nan 8.310 nan 0.000 0.493 789 S N 2.525 118.424 115.700 0.332 0.000 2.652 789 S HA 0.742 5.213 4.470 0.002 0.000 0.270 789 S C -0.283 174.411 174.600 0.157 0.000 1.243 789 S CA -0.926 57.349 58.200 0.125 0.000 0.999 789 S CB 0.306 63.519 63.200 0.021 0.000 0.973 789 S HN 0.634 nan 8.310 nan 0.000 0.544 790 F N -0.832 119.076 119.950 -0.072 0.000 2.556 790 F HA 0.782 5.310 4.527 0.002 0.000 0.327 790 F C 0.794 176.444 175.800 -0.250 0.000 1.059 790 F CA -1.093 56.719 58.000 -0.314 0.000 0.953 790 F CB 1.130 39.771 39.000 -0.598 0.000 1.227 790 F HN 0.586 nan 8.300 nan 0.000 0.478 791 S N -0.649 115.126 115.700 0.124 0.000 2.502 791 S HA 0.401 4.872 4.470 0.002 0.000 0.215 791 S C -0.034 174.656 174.600 0.151 0.000 1.009 791 S CA -0.122 58.125 58.200 0.078 0.000 0.908 791 S CB -0.158 63.036 63.200 -0.010 0.000 0.801 791 S HN 0.651 nan 8.310 nan 0.000 0.505 792 K N 0.114 120.605 120.400 0.151 0.000 2.569 792 K HA 0.691 5.012 4.320 0.002 0.000 0.259 792 K C -1.693 174.775 176.600 -0.221 0.000 0.932 792 K CA -0.159 56.146 56.287 0.030 0.000 0.833 792 K CB 2.282 34.773 32.500 -0.015 0.000 1.340 792 K HN 0.264 nan 8.250 nan 0.000 0.429 793 A N 2.676 125.388 122.820 -0.180 0.000 2.593 793 A HA 0.847 5.168 4.320 0.002 0.000 0.290 793 A C -1.705 175.811 177.584 -0.112 0.000 1.126 793 A CA -0.781 51.078 52.037 -0.296 0.000 0.695 793 A CB 1.636 20.265 19.000 -0.619 0.000 1.290 793 A HN 0.446 nan 8.150 nan 0.000 0.414 794 M N 0.801 120.354 119.600 -0.078 0.000 2.395 794 M HA 0.505 4.986 4.480 0.002 0.000 0.307 794 M C -1.574 174.711 176.300 -0.025 0.000 1.091 794 M CA -0.534 54.723 55.300 -0.072 0.000 0.919 794 M CB 1.126 33.697 32.600 -0.049 0.000 1.662 794 M HN 0.608 nan 8.290 nan 0.000 0.440 795 L N 4.430 125.566 121.223 -0.146 0.000 2.319 795 L HA 0.456 4.797 4.340 0.002 0.000 0.281 795 L C -1.020 175.690 176.870 -0.267 0.000 1.005 795 L CA 0.050 54.826 54.840 -0.107 0.000 0.828 795 L CB 0.601 42.593 42.059 -0.113 0.000 1.227 795 L HN 0.534 nan 8.230 nan 0.000 0.415 796 H N 5.795 124.822 119.070 -0.071 0.000 2.481 796 H HA 0.493 5.050 4.556 0.002 0.000 0.333 796 H C -1.214 174.036 175.328 -0.129 0.000 1.066 796 H CA -0.713 55.279 56.048 -0.093 0.000 1.209 796 H CB 2.354 32.074 29.762 -0.069 0.000 1.445 796 H HN 0.474 nan 8.280 nan 0.000 0.488 797 L N 3.204 124.394 121.223 -0.055 0.000 2.356 797 L HA 0.328 4.669 4.340 0.002 0.000 0.277 797 L C -0.753 176.114 176.870 -0.005 0.000 0.996 797 L CA -0.451 54.322 54.840 -0.112 0.000 0.822 797 L CB 1.966 43.893 42.059 -0.219 0.000 1.256 797 L HN 0.529 nan 8.230 nan 0.000 0.413 798 Q N 4.849 124.668 119.800 0.032 0.000 2.307 798 Q HA 0.359 4.700 4.340 0.002 0.000 0.262 798 Q C -1.590 174.508 176.000 0.164 0.000 0.961 798 Q CA -0.213 55.637 55.803 0.078 0.000 0.882 798 Q CB 1.966 30.728 28.738 0.040 0.000 1.264 798 Q HN 0.732 nan 8.270 nan 0.000 0.446 799 W N 4.523 125.800 121.300 -0.038 0.000 2.647 799 W HA 0.436 5.097 4.660 0.002 0.000 0.353 799 W C -2.799 173.719 176.519 -0.001 0.000 1.080 799 W CA -2.085 55.241 57.345 -0.032 0.000 1.208 799 W CB 1.432 30.861 29.460 -0.052 0.000 1.396 799 W HN 0.501 nan 8.180 nan 0.000 0.573 800 P HA 0.064 nan 4.420 nan 0.000 0.323 800 P C -0.809 176.561 177.300 0.117 0.000 1.319 800 P CA 1.068 64.024 63.100 -0.240 0.000 0.741 800 P CB 0.832 32.263 31.700 -0.449 0.000 1.545 801 Y N -3.111 117.176 120.300 -0.023 0.000 2.873 801 Y HA 0.213 4.764 4.550 0.002 0.000 0.181 801 Y C -0.973 174.926 175.900 -0.002 0.000 0.982 801 Y CA 0.341 58.492 58.100 0.084 0.000 1.663 801 Y CB 0.055 38.568 38.460 0.088 0.000 1.298 801 Y HN 0.072 nan 8.280 nan 0.000 0.350 802 K N -0.446 119.800 120.400 -0.258 0.000 2.250 802 K HA 0.553 4.874 4.320 0.002 0.000 0.261 802 K C -2.153 174.433 176.600 -0.024 0.000 1.047 802 K CA -0.658 55.436 56.287 -0.323 0.000 0.884 802 K CB 3.281 35.446 32.500 -0.558 0.000 1.476 802 K HN 0.140 nan 8.250 nan 0.000 0.445 803 Y N 0.464 120.657 120.300 -0.177 0.000 2.264 803 Y HA 0.103 4.654 4.550 0.002 0.000 0.315 803 Y C -1.609 174.241 175.900 -0.084 0.000 1.262 803 Y CA -0.549 57.484 58.100 -0.112 0.000 1.176 803 Y CB 0.781 39.164 38.460 -0.129 0.000 1.283 803 Y HN 0.814 nan 8.280 nan 0.000 0.405 804 N N 4.357 122.789 118.700 -0.447 0.000 2.696 804 N HA -0.287 4.454 4.740 0.002 0.000 0.256 804 N C -0.276 175.099 175.510 -0.226 0.000 1.031 804 N CA 1.585 54.389 53.050 -0.410 0.000 0.730 804 N CB -1.092 37.013 38.487 -0.638 0.000 0.894 804 N HN 0.918 nan 8.380 nan 0.000 0.544 805 N N -2.877 115.727 118.700 -0.159 0.000 2.686 805 N HA -0.313 4.428 4.740 0.002 0.000 0.249 805 N C -1.447 173.971 175.510 -0.153 0.000 1.082 805 N CA 1.747 54.717 53.050 -0.134 0.000 0.725 805 N CB -1.950 36.487 38.487 -0.083 0.000 1.009 805 N HN 0.795 nan 8.380 nan 0.000 0.545 806 N N -1.048 117.549 118.700 -0.171 0.000 2.448 806 N HA 0.332 5.073 4.740 0.002 0.000 0.279 806 N C -1.038 174.342 175.510 -0.218 0.000 1.025 806 N CA -0.710 52.253 53.050 -0.145 0.000 0.898 806 N CB 1.306 39.777 38.487 -0.026 0.000 1.303 806 N HN 0.123 nan 8.380 nan 0.000 0.495 807 T N 1.987 116.292 114.554 -0.415 0.000 2.937 807 T HA 0.262 4.613 4.350 0.002 0.000 0.316 807 T C -0.163 174.413 174.700 -0.207 0.000 1.079 807 T CA 0.227 62.020 62.100 -0.512 0.000 1.131 807 T CB -0.003 68.263 68.868 -1.002 0.000 1.000 807 T HN 0.425 nan 8.240 nan 0.000 0.549 808 L N 0.874 122.019 121.223 -0.130 0.000 2.661 808 L HA 0.582 4.923 4.340 0.002 0.000 0.263 808 L C -0.563 176.327 176.870 0.033 0.000 0.956 808 L CA -0.843 53.985 54.840 -0.019 0.000 0.918 808 L CB 0.657 42.662 42.059 -0.091 0.000 1.280 808 L HN 0.637 nan 8.230 nan 0.000 0.416 809 L N 2.952 124.256 121.223 0.136 0.000 3.315 809 L HA -0.213 4.128 4.340 0.002 0.000 0.667 809 L C -0.855 176.281 176.870 0.442 0.000 1.285 809 L CA 0.366 55.350 54.840 0.242 0.000 1.127 809 L CB -0.788 41.314 42.059 0.071 0.000 1.759 809 L HN 0.918 nan 8.230 nan 0.000 0.886 810 Y N 2.156 122.592 120.300 0.226 0.000 2.569 810 Y HA 0.336 4.887 4.550 0.002 0.000 0.332 810 Y C 0.892 176.883 175.900 0.152 0.000 1.120 810 Y CA -0.206 58.002 58.100 0.178 0.000 1.416 810 Y CB 0.453 39.007 38.460 0.156 0.000 1.210 810 Y HN 0.189 nan 8.280 nan 0.000 0.528 811 I N 7.988 128.509 120.570 -0.081 0.000 2.441 811 I HA -0.049 4.122 4.170 0.002 0.000 0.287 811 I C 0.701 176.759 176.117 -0.097 0.000 1.049 811 I CA 0.066 61.263 61.300 -0.173 0.000 1.381 811 I CB 1.162 38.895 38.000 -0.446 0.000 1.409 811 I HN 0.801 nan 8.210 nan 0.000 0.523 812 L N 5.248 126.462 121.223 -0.015 0.000 2.253 812 L HA 0.108 4.449 4.340 0.002 0.000 0.205 812 L C 0.224 177.083 176.870 -0.018 0.000 1.078 812 L CA 0.409 55.276 54.840 0.045 0.000 0.805 812 L CB -0.107 41.947 42.059 -0.008 0.000 0.963 812 L HN 0.847 nan 8.230 nan 0.000 0.459 813 H N -3.228 115.783 119.070 -0.098 0.000 2.832 813 H HA 0.311 4.868 4.556 0.002 0.000 0.259 813 H C -1.289 173.963 175.328 -0.127 0.000 1.448 813 H CA -1.560 54.355 56.048 -0.222 0.000 1.122 813 H CB 0.300 29.935 29.762 -0.212 0.000 1.772 813 H HN -0.006 nan 8.280 nan 0.000 0.491 814 Y N -1.193 119.246 120.300 0.233 0.000 2.588 814 Y HA 0.805 5.356 4.550 0.002 0.000 0.343 814 Y C -1.719 174.308 175.900 0.212 0.000 1.065 814 Y CA -1.102 57.092 58.100 0.156 0.000 1.038 814 Y CB 1.989 40.449 38.460 0.000 0.000 1.297 814 Y HN 0.778 nan 8.280 nan 0.000 0.467 815 D N 1.551 122.240 120.400 0.483 0.000 2.547 815 D HA 0.612 5.253 4.640 0.002 0.000 0.231 815 D C -1.212 175.293 176.300 0.341 0.000 1.099 815 D CA -0.457 53.768 54.000 0.374 0.000 0.901 815 D CB 2.453 43.441 40.800 0.312 0.000 1.478 815 D HN 0.465 nan 8.370 nan 0.000 0.471 816 I N 1.098 121.811 120.570 0.239 0.000 2.608 816 I HA 0.396 4.567 4.170 0.002 0.000 0.295 816 I C -1.060 175.134 176.117 0.127 0.000 1.049 816 I CA -0.639 60.739 61.300 0.130 0.000 1.063 816 I CB 1.979 40.022 38.000 0.073 0.000 1.248 816 I HN 0.300 nan 8.210 nan 0.000 0.424 817 D N 3.745 124.187 120.400 0.070 0.000 2.620 817 D HA 0.656 5.297 4.640 0.002 0.000 0.252 817 D C 0.202 176.507 176.300 0.008 0.000 1.207 817 D CA 0.395 54.440 54.000 0.075 0.000 0.884 817 D CB 2.159 43.051 40.800 0.152 0.000 1.262 817 D HN 0.904 nan 8.370 nan 0.000 0.552 818 G N 2.906 111.709 108.800 0.005 0.000 2.498 818 G HA2 -0.089 3.872 3.960 0.002 0.000 0.651 818 G HA3 -0.089 3.872 3.960 0.002 0.000 0.651 818 G C -2.584 172.303 174.900 -0.021 0.000 1.284 818 G CA -1.108 43.980 45.100 -0.020 0.000 0.950 818 G HN 0.384 nan 8.290 nan 0.000 0.511 819 P HA 0.343 nan 4.420 nan 0.000 0.256 819 P C -0.281 177.007 177.300 -0.020 0.000 1.688 819 P CA 0.586 63.670 63.100 -0.028 0.000 1.162 819 P CB -0.021 31.653 31.700 -0.043 0.000 1.870 820 M N 2.592 122.181 119.600 -0.019 0.000 2.471 820 M HA 0.323 4.804 4.480 0.002 0.000 0.284 820 M C -1.977 174.308 176.300 -0.026 0.000 1.203 820 M CA -0.532 54.752 55.300 -0.027 0.000 0.915 820 M CB 2.949 35.523 32.600 -0.043 0.000 1.734 820 M HN 0.023 nan 8.290 nan 0.000 0.485 821 N N 0.872 119.548 118.700 -0.041 0.000 2.262 821 N HA 0.806 5.547 4.740 0.002 0.000 0.295 821 N C -1.850 173.614 175.510 -0.078 0.000 1.161 821 N CA -0.692 52.338 53.050 -0.033 0.000 0.767 821 N CB 2.654 41.128 38.487 -0.022 0.000 1.499 821 N HN 0.604 nan 8.380 nan 0.000 0.476 822 c N -0.049 118.507 118.600 -0.073 0.000 3.236 822 c HA 0.747 5.318 4.570 0.002 0.000 0.312 822 c C -0.855 173.185 174.090 -0.083 0.000 1.374 822 c CA -0.448 55.782 56.329 -0.165 0.000 1.455 822 c CB 2.053 44.318 42.510 -0.409 0.000 1.834 822 c HN 0.615 nan 8.230 nan 0.000 0.460 823 T N 1.437 115.915 114.554 -0.127 0.000 3.172 823 T HA 0.471 4.822 4.350 0.002 0.000 0.320 823 T C -0.754 173.904 174.700 -0.070 0.000 1.085 823 T CA -0.339 61.734 62.100 -0.045 0.000 1.052 823 T CB 1.405 70.246 68.868 -0.045 0.000 1.107 823 T HN 0.836 nan 8.240 nan 0.000 0.458 824 S N 1.769 117.465 115.700 -0.007 0.000 2.457 824 S HA 0.287 4.758 4.470 0.002 0.000 0.289 824 S C 1.118 175.683 174.600 -0.059 0.000 1.163 824 S CA -0.822 57.352 58.200 -0.043 0.000 1.078 824 S CB 1.004 64.202 63.200 -0.004 0.000 0.987 824 S HN 0.803 nan 8.310 nan 0.000 0.482 825 D N 2.920 123.275 120.400 -0.076 0.000 2.389 825 D HA -0.126 4.515 4.640 0.002 0.000 0.221 825 D C 0.371 176.616 176.300 -0.092 0.000 0.974 825 D CA 0.964 54.921 54.000 -0.071 0.000 0.923 825 D CB -0.191 40.571 40.800 -0.064 0.000 0.892 825 D HN 0.589 nan 8.370 nan 0.000 0.518 826 M N -0.257 119.266 119.600 -0.128 0.000 2.619 826 M HA 0.235 4.716 4.480 0.002 0.000 0.297 826 M C -0.302 175.917 176.300 -0.135 0.000 1.229 826 M CA -0.920 54.287 55.300 -0.156 0.000 0.860 826 M CB 3.043 35.474 32.600 -0.281 0.000 1.741 826 M HN -0.260 nan 8.290 nan 0.000 0.462 827 E N 2.382 122.513 120.200 -0.114 0.000 2.366 827 E HA 0.234 4.585 4.350 0.002 0.000 0.266 827 E C -1.198 175.324 176.600 -0.131 0.000 1.015 827 E CA -0.456 55.889 56.400 -0.093 0.000 0.906 827 E CB 0.555 30.220 29.700 -0.058 0.000 0.979 827 E HN 0.458 nan 8.360 nan 0.000 0.443 828 I N 2.445 122.938 120.570 -0.128 0.000 2.428 828 I HA 0.250 4.421 4.170 0.002 0.000 0.289 828 I C 0.138 176.176 176.117 -0.132 0.000 1.019 828 I CA -0.677 60.519 61.300 -0.174 0.000 1.351 828 I CB 0.967 38.860 38.000 -0.178 0.000 1.412 828 I HN 0.585 nan 8.210 nan 0.000 0.513 829 N N 4.071 122.660 118.700 -0.184 0.000 2.681 829 N HA -0.125 4.616 4.740 0.002 0.000 0.259 829 N C -1.981 173.598 175.510 0.115 0.000 1.066 829 N CA 0.535 53.603 53.050 0.031 0.000 0.717 829 N CB -0.631 37.929 38.487 0.122 0.000 0.885 829 N HN 0.589 nan 8.380 nan 0.000 0.547 830 P HA -0.092 nan 4.420 nan 0.000 0.214 830 P C 1.617 179.017 177.300 0.167 0.000 1.163 830 P CA 1.028 64.196 63.100 0.113 0.000 0.883 830 P CB 0.076 31.842 31.700 0.110 0.000 0.788 831 L N -2.010 119.378 121.223 0.274 0.000 2.642 831 L HA -0.023 4.318 4.340 0.002 0.000 0.236 831 L C 0.339 177.301 176.870 0.154 0.000 1.169 831 L CA 0.229 55.191 54.840 0.203 0.000 0.851 831 L CB -1.068 41.113 42.059 0.203 0.000 0.968 831 L HN -0.065 nan 8.230 nan 0.000 0.453 832 R N 0.727 121.328 120.500 0.168 0.000 3.038 832 R HA -0.168 4.173 4.340 0.002 0.000 0.242 832 R C -0.424 175.936 176.300 0.100 0.000 0.866 832 R CA 0.524 56.696 56.100 0.119 0.000 0.601 832 R CB -1.880 28.464 30.300 0.074 0.000 1.107 832 R HN 0.313 nan 8.270 nan 0.000 0.492 833 I N 2.058 122.700 120.570 0.120 0.000 2.329 833 I HA 0.031 4.202 4.170 0.002 0.000 0.295 833 I C 0.947 177.108 176.117 0.074 0.000 1.109 833 I CA -0.223 61.115 61.300 0.064 0.000 1.297 833 I CB 0.447 38.445 38.000 -0.004 0.000 1.433 833 I HN 0.077 nan 8.210 nan 0.000 0.509 834 K N 5.517 125.950 120.400 0.054 0.000 2.318 834 K HA 0.401 4.722 4.320 0.002 0.000 0.243 834 K C 0.411 177.038 176.600 0.046 0.000 1.047 834 K CA -0.690 55.629 56.287 0.053 0.000 0.937 834 K CB 1.335 33.858 32.500 0.038 0.000 1.225 834 K HN 0.451 nan 8.250 nan 0.000 0.506 835 I N 0.796 121.393 120.570 0.045 0.000 3.434 835 I HA -0.270 3.901 4.170 0.002 0.000 0.212 835 I C 1.816 177.949 176.117 0.026 0.000 1.348 835 I CA 0.948 62.271 61.300 0.039 0.000 0.948 835 I CB 0.439 38.462 38.000 0.038 0.000 1.607 835 I HN 0.818 nan 8.210 nan 0.000 0.907 836 S N 1.095 116.809 115.700 0.023 0.000 2.389 836 S HA -0.284 4.187 4.470 0.002 0.000 0.231 836 S C 1.253 175.861 174.600 0.014 0.000 1.052 836 S CA 1.753 59.964 58.200 0.018 0.000 1.053 836 S CB -0.600 62.610 63.200 0.017 0.000 0.886 836 S HN 0.890 nan 8.310 nan 0.000 0.456 837 S N 0.041 115.750 115.700 0.014 0.000 2.361 837 S HA -0.139 4.332 4.470 0.002 0.000 0.247 837 S C -0.150 174.456 174.600 0.009 0.000 1.218 837 S CA 1.255 59.461 58.200 0.011 0.000 1.502 837 S CB -1.589 61.617 63.200 0.010 0.000 1.893 837 S HN 0.770 nan 8.310 nan 0.000 0.610 869 I N 1.390 121.950 120.570 -0.016 0.000 2.222 869 I HA -0.236 3.935 4.170 0.002 0.000 0.178 869 I C 1.975 178.148 176.117 0.092 0.000 1.004 869 I CA 2.025 63.288 61.300 -0.062 0.000 1.334 869 I CB -0.074 37.747 38.000 -0.299 0.000 1.097 869 I HN 0.014 nan 8.210 nan 0.000 0.406 870 H N -0.948 118.122 119.070 0.001 0.000 2.406 870 H HA 0.170 4.727 4.556 0.002 0.000 0.304 870 H C 0.720 176.066 175.328 0.029 0.000 1.042 870 H CA 0.838 56.898 56.048 0.020 0.000 1.360 870 H CB -1.131 28.587 29.762 -0.073 0.000 1.448 870 H HN 0.340 nan 8.280 nan 0.000 0.553 871 T N 2.418 117.017 114.554 0.075 0.000 2.829 871 T HA 0.157 4.508 4.350 0.002 0.000 0.293 871 T C 0.284 174.932 174.700 -0.086 0.000 0.970 871 T CA -0.124 61.968 62.100 -0.014 0.000 1.168 871 T CB -0.439 68.408 68.868 -0.035 0.000 0.911 871 T HN 0.159 nan 8.240 nan 0.000 0.535 872 L N 5.658 126.800 121.223 -0.135 0.000 2.679 872 L HA 0.433 4.774 4.340 0.002 0.000 0.238 872 L C 0.963 177.731 176.870 -0.170 0.000 1.330 872 L CA -0.739 53.966 54.840 -0.225 0.000 0.935 872 L CB 0.794 42.644 42.059 -0.349 0.000 1.243 872 L HN 0.787 nan 8.230 nan 0.000 0.484 873 G N 0.132 108.863 108.800 -0.115 0.000 3.678 873 G HA2 0.333 4.294 3.960 0.002 0.000 0.344 873 G HA3 0.333 4.294 3.960 0.002 0.000 0.344 873 G C 0.018 174.884 174.900 -0.056 0.000 1.450 873 G CA -0.365 44.682 45.100 -0.088 0.000 1.078 873 G HN 0.453 nan 8.290 nan 0.000 0.474 874 c N 0.071 118.639 118.600 -0.052 0.000 1.185 874 c HA 0.055 4.626 4.570 0.002 0.000 0.238 874 c C 1.828 175.914 174.090 -0.008 0.000 0.764 874 c CA 1.662 57.981 56.329 -0.016 0.000 3.245 874 c CB -0.937 41.570 42.510 -0.005 0.000 2.386 874 c HN 2.188 nan 8.230 nan 0.000 0.414 875 G N 1.413 110.218 108.800 0.007 0.000 2.428 875 G HA2 -0.153 3.808 3.960 0.002 0.000 0.199 875 G HA3 -0.153 3.808 3.960 0.002 0.000 0.199 875 G C 0.354 175.268 174.900 0.022 0.000 1.005 875 G CA 0.427 45.533 45.100 0.010 0.000 0.671 875 G HN 1.205 nan 8.290 nan 0.000 0.485 876 V N 0.774 120.698 119.914 0.017 0.000 2.795 876 V HA 0.673 4.794 4.120 0.002 0.000 0.243 876 V C 1.460 177.612 176.094 0.098 0.000 1.069 876 V CA 1.759 64.082 62.300 0.038 0.000 1.089 876 V CB 0.272 32.077 31.823 -0.029 0.000 0.756 876 V HN 1.184 nan 8.190 nan 0.000 0.471 877 A N -0.387 122.467 122.820 0.057 0.000 2.350 877 A HA 0.761 5.082 4.320 0.002 0.000 0.318 877 A C -0.805 176.831 177.584 0.086 0.000 1.132 877 A CA -0.602 51.495 52.037 0.100 0.000 0.811 877 A CB 0.988 20.005 19.000 0.029 0.000 1.313 877 A HN 0.301 nan 8.150 nan 0.000 0.454 878 Q N 0.324 120.191 119.800 0.111 0.000 2.296 878 Q HA 0.400 4.741 4.340 0.002 0.000 0.262 878 Q C -0.639 175.481 176.000 0.199 0.000 0.981 878 Q CA 0.185 56.073 55.803 0.142 0.000 0.905 878 Q CB 0.632 29.471 28.738 0.169 0.000 1.186 878 Q HN 0.641 nan 8.270 nan 0.000 0.399 879 c N 2.651 121.329 118.600 0.131 0.000 2.459 879 c HA 0.471 5.042 4.570 0.002 0.000 0.374 879 c C -0.197 173.922 174.090 0.048 0.000 1.241 879 c CA -0.902 55.495 56.329 0.113 0.000 2.352 879 c CB 0.257 42.806 42.510 0.064 0.000 2.490 879 c HN 0.670 nan 8.230 nan 0.000 0.583 880 L N 3.185 124.440 121.223 0.054 0.000 2.324 880 L HA 0.435 4.776 4.340 0.002 0.000 0.274 880 L C -0.459 176.409 176.870 -0.002 0.000 1.012 880 L CA 0.067 54.848 54.840 -0.099 0.000 0.859 880 L CB 0.144 42.137 42.059 -0.111 0.000 1.224 880 L HN 0.751 nan 8.230 nan 0.000 0.429 881 K N 6.179 126.556 120.400 -0.039 0.000 2.253 881 K HA 0.509 4.830 4.320 0.002 0.000 0.277 881 K C -0.582 175.981 176.600 -0.063 0.000 1.053 881 K CA -0.347 55.929 56.287 -0.017 0.000 0.892 881 K CB 1.732 34.234 32.500 0.003 0.000 1.102 881 K HN 0.554 nan 8.250 nan 0.000 0.469 882 I N 3.556 124.072 120.570 -0.090 0.000 2.312 882 I HA 0.160 4.331 4.170 0.002 0.000 0.290 882 I C -0.318 175.686 176.117 -0.187 0.000 1.008 882 I CA -0.846 60.351 61.300 -0.172 0.000 1.226 882 I CB 1.486 39.322 38.000 -0.273 0.000 1.371 882 I HN 0.241 nan 8.210 nan 0.000 0.468 883 V N 6.931 126.730 119.914 -0.193 0.000 2.547 883 V HA 0.499 4.620 4.120 0.002 0.000 0.299 883 V C -0.572 175.361 176.094 -0.269 0.000 1.040 883 V CA -0.120 62.022 62.300 -0.264 0.000 0.913 883 V CB 1.586 33.272 31.823 -0.227 0.000 0.992 883 V HN 0.899 nan 8.190 nan 0.000 0.449 884 c N 4.563 122.980 118.600 -0.305 0.000 2.712 884 c HA 0.657 5.228 4.570 0.002 0.000 0.308 884 c C -0.727 173.249 174.090 -0.191 0.000 1.201 884 c CA -0.879 55.314 56.329 -0.227 0.000 1.554 884 c CB 1.711 44.093 42.510 -0.214 0.000 2.117 884 c HN 0.881 nan 8.230 nan 0.000 0.480 885 Q N 1.430 121.155 119.800 -0.126 0.000 2.368 885 Q HA 0.660 5.001 4.340 0.002 0.000 0.263 885 Q C -0.544 175.429 176.000 -0.044 0.000 1.009 885 Q CA -0.142 55.610 55.803 -0.084 0.000 0.818 885 Q CB 1.488 30.186 28.738 -0.066 0.000 1.239 885 Q HN 0.571 nan 8.270 nan 0.000 0.464 886 V N 0.867 120.773 119.914 -0.014 0.000 2.966 886 V HA 0.960 5.081 4.120 0.002 0.000 0.317 886 V C 0.346 176.497 176.094 0.095 0.000 1.070 886 V CA -0.712 61.619 62.300 0.051 0.000 1.008 886 V CB 2.042 33.940 31.823 0.125 0.000 1.070 886 V HN 0.807 nan 8.190 nan 0.000 0.457 887 G N 1.831 110.701 108.800 0.116 0.000 2.078 887 G HA2 0.534 4.495 3.960 0.002 0.000 0.297 887 G HA3 0.534 4.495 3.960 0.002 0.000 0.297 887 G C -0.816 174.094 174.900 0.017 0.000 1.370 887 G CA -0.602 44.562 45.100 0.107 0.000 1.222 887 G HN 0.902 nan 8.290 nan 0.000 0.586 888 R N 0.742 121.213 120.500 -0.048 0.000 2.506 888 R HA -0.115 4.226 4.340 0.002 0.000 0.325 888 R C -1.666 174.412 176.300 -0.370 0.000 1.002 888 R CA 0.062 56.035 56.100 -0.212 0.000 0.620 888 R CB -1.959 28.275 30.300 -0.110 0.000 1.773 888 R HN 0.595 nan 8.270 nan 0.000 0.429 889 L N 3.857 124.612 121.223 -0.780 0.000 2.324 889 L HA 0.464 4.805 4.340 0.002 0.000 0.274 889 L C 0.589 177.125 176.870 -0.557 0.000 1.012 889 L CA -0.978 53.450 54.840 -0.686 0.000 0.859 889 L CB 1.350 42.856 42.059 -0.922 0.000 1.224 889 L HN 0.453 nan 8.230 nan 0.000 0.429 890 D N 1.643 121.872 120.400 -0.285 0.000 2.228 890 D HA -0.020 4.621 4.640 0.002 0.000 0.259 890 D C 1.211 177.446 176.300 -0.109 0.000 1.249 890 D CA -0.154 53.751 54.000 -0.159 0.000 0.997 890 D CB 0.864 41.612 40.800 -0.086 0.000 1.151 890 D HN 0.404 nan 8.370 nan 0.000 0.536 891 R N -0.036 120.444 120.500 -0.032 0.000 2.115 891 R HA -0.146 4.195 4.340 0.002 0.000 0.239 891 R C 1.108 177.396 176.300 -0.021 0.000 1.133 891 R CA 2.078 58.176 56.100 -0.002 0.000 0.935 891 R CB -0.572 29.742 30.300 0.024 0.000 0.853 891 R HN 0.401 nan 8.270 nan 0.000 0.433 892 G N 0.615 109.397 108.800 -0.030 0.000 4.928 892 G HA2 0.299 4.260 3.960 0.002 0.000 0.321 892 G HA3 0.299 4.260 3.960 0.002 0.000 0.321 892 G C -1.178 173.695 174.900 -0.046 0.000 1.455 892 G CA -0.577 44.505 45.100 -0.030 0.000 1.081 892 G HN 0.011 nan 8.290 nan 0.000 0.569 893 K N 0.477 120.832 120.400 -0.074 0.000 2.426 893 K HA 0.692 5.013 4.320 0.002 0.000 0.251 893 K C -0.556 175.986 176.600 -0.097 0.000 0.941 893 K CA -0.595 55.641 56.287 -0.084 0.000 0.808 893 K CB 2.259 34.693 32.500 -0.109 0.000 1.265 893 K HN 0.377 nan 8.250 nan 0.000 0.432 894 S N -0.498 115.154 115.700 -0.079 0.000 2.671 894 S HA 0.882 5.353 4.470 0.002 0.000 0.299 894 S C -0.914 173.638 174.600 -0.081 0.000 1.116 894 S CA -1.040 57.110 58.200 -0.082 0.000 0.912 894 S CB 2.102 65.262 63.200 -0.067 0.000 1.130 894 S HN 0.621 nan 8.310 nan 0.000 0.501 895 A N 0.894 123.663 122.820 -0.085 0.000 2.371 895 A HA 0.842 5.163 4.320 0.002 0.000 0.311 895 A C -0.866 176.646 177.584 -0.120 0.000 1.068 895 A CA -0.818 51.168 52.037 -0.084 0.000 0.744 895 A CB 0.549 19.512 19.000 -0.061 0.000 1.239 895 A HN 0.812 nan 8.150 nan 0.000 0.435 896 I N 2.178 122.647 120.570 -0.168 0.000 2.545 896 I HA 0.402 4.573 4.170 0.002 0.000 0.292 896 I C -0.888 175.006 176.117 -0.371 0.000 1.040 896 I CA -0.545 60.567 61.300 -0.313 0.000 1.068 896 I CB 2.068 39.753 38.000 -0.526 0.000 1.251 896 I HN 0.554 nan 8.210 nan 0.000 0.424 897 L N 6.290 127.328 121.223 -0.309 0.000 2.305 897 L HA 0.486 4.828 4.340 0.002 0.000 0.284 897 L C -1.534 175.251 176.870 -0.142 0.000 1.013 897 L CA -0.551 54.185 54.840 -0.172 0.000 0.819 897 L CB 1.202 43.213 42.059 -0.079 0.000 1.227 897 L HN 0.549 nan 8.230 nan 0.000 0.417 898 Y N 4.388 124.760 120.300 0.121 0.000 2.587 898 Y HA 0.343 4.894 4.550 0.002 0.000 0.328 898 Y C 0.032 176.014 175.900 0.137 0.000 0.980 898 Y CA -0.937 57.238 58.100 0.125 0.000 1.272 898 Y CB 1.542 40.067 38.460 0.109 0.000 1.094 898 Y HN 0.202 nan 8.280 nan 0.000 0.503 899 V N 3.890 123.958 119.914 0.257 0.000 2.465 899 V HA 0.244 4.365 4.120 0.002 0.000 0.279 899 V C -0.094 176.038 176.094 0.064 0.000 1.045 899 V CA -0.956 61.402 62.300 0.098 0.000 0.938 899 V CB 1.477 33.254 31.823 -0.078 0.000 0.986 899 V HN 0.583 nan 8.190 nan 0.000 0.467 900 K N 3.821 124.174 120.400 -0.079 0.000 2.478 900 K HA 0.467 4.788 4.320 0.002 0.000 0.236 900 K C 0.201 176.751 176.600 -0.084 0.000 1.021 900 K CA -0.224 56.004 56.287 -0.098 0.000 1.010 900 K CB 0.848 33.186 32.500 -0.271 0.000 1.331 900 K HN 0.915 nan 8.250 nan 0.000 0.470 901 S N 3.961 119.707 115.700 0.075 0.000 2.677 901 S HA 0.712 5.183 4.470 0.002 0.000 0.290 901 S C -0.306 174.414 174.600 0.199 0.000 1.124 901 S CA -0.894 57.416 58.200 0.183 0.000 1.017 901 S CB 0.685 64.152 63.200 0.445 0.000 1.215 901 S HN 0.607 nan 8.310 nan 0.000 0.524 902 L N -1.550 119.822 121.223 0.248 0.000 2.905 902 L HA 0.412 4.753 4.340 0.002 0.000 0.260 902 L C -1.065 175.913 176.870 0.180 0.000 0.933 902 L CA -0.915 54.027 54.840 0.170 0.000 1.034 902 L CB 0.664 42.794 42.059 0.119 0.000 1.550 902 L HN 0.771 nan 8.230 nan 0.000 0.480 903 L N 2.601 123.884 121.223 0.101 0.000 2.653 903 L HA -0.128 4.213 4.340 0.002 0.000 0.288 903 L C 0.491 177.407 176.870 0.076 0.000 1.243 903 L CA 0.724 55.602 54.840 0.063 0.000 0.906 903 L CB 0.531 42.562 42.059 -0.047 0.000 1.154 903 L HN 0.917 nan 8.230 nan 0.000 0.498 904 W N 3.958 125.203 121.300 -0.091 0.000 2.800 904 W HA -0.042 4.619 4.660 0.002 0.000 0.249 904 W C 1.666 178.029 176.519 -0.260 0.000 1.294 904 W CA 0.982 58.258 57.345 -0.115 0.000 1.402 904 W CB -0.070 29.367 29.460 -0.038 0.000 1.126 904 W HN 0.829 nan 8.180 nan 0.000 0.652 905 T N -0.528 113.860 114.554 -0.278 0.000 7.578 905 T HA -0.286 4.065 4.350 0.002 0.000 0.299 905 T C 0.569 174.932 174.700 -0.561 0.000 2.097 905 T CA 1.419 63.101 62.100 -0.696 0.000 3.248 905 T CB -1.326 66.519 68.868 -1.706 0.000 2.014 905 T HN 0.083 nan 8.240 nan 0.000 1.198 906 E N 1.159 121.303 120.200 -0.094 0.000 2.476 906 E HA 0.127 4.478 4.350 0.002 0.000 0.191 906 E C 1.628 178.388 176.600 0.267 0.000 1.064 906 E CA 0.677 57.151 56.400 0.122 0.000 0.866 906 E CB -0.370 29.536 29.700 0.342 0.000 0.952 906 E HN 0.829 nan 8.360 nan 0.000 0.492 907 T N -0.957 113.744 114.554 0.245 0.000 3.439 907 T HA 0.085 4.436 4.350 0.002 0.000 0.251 907 T C 0.943 176.061 174.700 0.696 0.000 1.108 907 T CA -0.124 62.209 62.100 0.388 0.000 0.982 907 T CB -0.345 68.673 68.868 0.250 0.000 1.024 907 T HN -0.134 nan 8.240 nan 0.000 0.573 908 F N 1.286 121.473 119.950 0.395 0.000 2.153 908 F HA 0.393 4.921 4.527 0.002 0.000 0.276 908 F C 1.668 177.746 175.800 0.463 0.000 1.340 908 F CA -0.766 57.553 58.000 0.531 0.000 1.094 908 F CB -0.379 38.889 39.000 0.447 0.000 0.964 908 F HN 0.051 nan 8.300 nan 0.000 0.522 909 M N 0.854 120.778 119.600 0.539 0.000 2.347 909 M HA -0.232 4.250 4.480 0.002 0.000 0.198 909 M C -0.226 176.130 176.300 0.092 0.000 0.549 909 M CA 0.148 55.623 55.300 0.291 0.000 0.481 909 M CB -2.436 30.337 32.600 0.289 0.000 1.393 909 M HN 0.497 nan 8.290 nan 0.000 0.905 910 N N 0.034 118.714 118.700 -0.033 0.000 3.117 910 N HA 0.218 4.959 4.740 0.002 0.000 0.323 910 N C 0.366 175.775 175.510 -0.168 0.000 1.245 910 N CA 0.333 53.211 53.050 -0.288 0.000 1.191 910 N CB 0.450 38.694 38.487 -0.406 0.000 1.451 910 N HN 0.706 nan 8.380 nan 0.000 0.555 911 K N -0.471 119.869 120.400 -0.101 0.000 2.359 911 K HA 0.138 4.459 4.320 0.002 0.000 0.315 911 K C 0.604 177.175 176.600 -0.049 0.000 1.027 911 K CA -0.526 55.724 56.287 -0.062 0.000 0.806 911 K CB 0.024 32.519 32.500 -0.009 0.000 3.499 911 K HN -0.102 nan 8.250 nan 0.000 1.216 912 E N 1.382 121.578 120.200 -0.006 0.000 2.170 912 E HA -0.289 4.062 4.350 0.002 0.000 0.229 912 E C 1.257 177.857 176.600 -0.000 0.000 1.074 912 E CA 2.221 58.623 56.400 0.005 0.000 0.930 912 E CB -0.487 29.231 29.700 0.030 0.000 0.806 912 E HN 0.390 nan 8.360 nan 0.000 0.478 913 N N -1.874 116.835 118.700 0.015 0.000 2.604 913 N HA -0.015 4.726 4.740 0.002 0.000 0.234 913 N C -0.529 174.961 175.510 -0.033 0.000 1.064 913 N CA -0.104 52.953 53.050 0.012 0.000 1.202 913 N CB 0.683 39.206 38.487 0.061 0.000 1.575 913 N HN -0.164 nan 8.380 nan 0.000 0.619 914 Q N 0.592 120.396 119.800 0.008 0.000 3.429 914 Q HA 0.118 4.459 4.340 0.002 0.000 0.190 914 Q C -1.472 174.634 176.000 0.177 0.000 0.807 914 Q CA -0.109 55.667 55.803 -0.045 0.000 0.854 914 Q CB 0.547 29.103 28.738 -0.302 0.000 1.481 914 Q HN 0.626 nan 8.270 nan 0.000 0.463 915 N N -0.554 118.195 118.700 0.083 0.000 2.626 915 N HA -0.104 4.637 4.740 0.002 0.000 0.193 915 N C 0.571 176.114 175.510 0.056 0.000 1.213 915 N CA 0.263 53.379 53.050 0.111 0.000 0.914 915 N CB -0.043 38.550 38.487 0.176 0.000 0.994 915 N HN 0.449 nan 8.380 nan 0.000 0.447 916 H N -0.279 118.739 119.070 -0.086 0.000 2.707 916 H HA 0.299 4.856 4.556 0.002 0.000 0.359 916 H C -0.328 174.817 175.328 -0.305 0.000 1.113 916 H CA -0.770 55.263 56.048 -0.026 0.000 1.422 916 H CB 0.336 30.083 29.762 -0.025 0.000 1.443 916 H HN 0.078 nan 8.280 nan 0.000 0.591 917 S N 1.372 116.778 115.700 -0.489 0.000 3.396 917 S HA -0.159 4.312 4.470 0.002 0.000 0.762 917 S C -1.162 173.076 174.600 -0.604 0.000 0.923 917 S CA 0.452 58.206 58.200 -0.744 0.000 1.297 917 S CB -1.494 60.858 63.200 -1.414 0.000 1.259 917 S HN 0.699 nan 8.310 nan 0.000 0.527 918 Y N 0.266 120.430 120.300 -0.228 0.000 2.634 918 Y HA 0.731 5.282 4.550 0.002 0.000 0.340 918 Y C 1.116 176.923 175.900 -0.156 0.000 1.058 918 Y CA -1.311 56.712 58.100 -0.128 0.000 1.081 918 Y CB 1.921 40.316 38.460 -0.109 0.000 1.295 918 Y HN 0.529 nan 8.280 nan 0.000 0.487 919 S N -0.488 115.246 115.700 0.057 0.000 2.727 919 S HA 0.265 4.736 4.470 0.002 0.000 0.249 919 S C -0.420 174.121 174.600 -0.099 0.000 1.079 919 S CA -0.174 57.996 58.200 -0.050 0.000 0.912 919 S CB 0.059 63.240 63.200 -0.031 0.000 0.861 919 S HN 0.543 nan 8.310 nan 0.000 0.484 920 L N 2.077 123.218 121.223 -0.136 0.000 3.790 920 L HA -0.173 4.168 4.340 0.002 0.000 0.602 920 L C -0.106 176.659 176.870 -0.175 0.000 1.172 920 L CA 0.203 54.925 54.840 -0.196 0.000 0.901 920 L CB -1.288 40.658 42.059 -0.188 0.000 1.342 920 L HN 0.269 nan 8.230 nan 0.000 0.820 921 K N 1.042 121.349 120.400 -0.155 0.000 2.218 921 K HA 0.489 4.810 4.320 0.002 0.000 0.276 921 K C 0.249 176.772 176.600 -0.129 0.000 1.022 921 K CA -0.133 56.096 56.287 -0.096 0.000 0.946 921 K CB 1.429 33.890 32.500 -0.064 0.000 1.000 921 K HN 0.297 nan 8.250 nan 0.000 0.468 922 S N 1.647 117.346 115.700 -0.001 0.000 2.542 922 S HA 0.486 4.957 4.470 0.002 0.000 0.293 922 S C -1.542 173.185 174.600 0.211 0.000 1.089 922 S CA -0.604 57.641 58.200 0.074 0.000 0.961 922 S CB 1.613 64.977 63.200 0.273 0.000 1.062 922 S HN 0.564 nan 8.310 nan 0.000 0.483 923 S N 2.193 117.994 115.700 0.168 0.000 2.548 923 S HA 0.807 5.278 4.470 0.002 0.000 0.276 923 S C -1.373 173.217 174.600 -0.017 0.000 1.129 923 S CA -0.268 58.002 58.200 0.117 0.000 0.931 923 S CB 1.323 64.557 63.200 0.057 0.000 1.068 923 S HN 1.345 nan 8.310 nan 0.000 0.480 924 A N 2.816 125.592 122.820 -0.073 0.000 2.408 924 A HA 0.786 5.107 4.320 0.002 0.000 0.295 924 A C -0.214 177.360 177.584 -0.015 0.000 1.040 924 A CA -0.469 51.447 52.037 -0.202 0.000 0.707 924 A CB 1.402 19.975 19.000 -0.712 0.000 1.235 924 A HN 1.365 nan 8.150 nan 0.000 0.418 925 S N 1.139 116.867 115.700 0.046 0.000 2.704 925 S HA 0.964 5.435 4.470 0.002 0.000 0.305 925 S C -0.394 174.345 174.600 0.231 0.000 1.107 925 S CA -0.525 57.752 58.200 0.128 0.000 0.993 925 S CB 1.376 64.597 63.200 0.035 0.000 1.110 925 S HN 1.759 nan 8.310 nan 0.000 0.534 926 F N -0.854 119.092 119.950 -0.006 0.000 2.662 926 F HA 0.734 5.262 4.527 0.002 0.000 0.312 926 F C -1.261 174.514 175.800 -0.042 0.000 1.113 926 F CA -0.937 57.051 58.000 -0.020 0.000 0.951 926 F CB 1.531 40.499 39.000 -0.052 0.000 1.344 926 F HN 0.810 nan 8.300 nan 0.000 0.462 927 N N 1.640 120.167 118.700 -0.288 0.000 2.425 927 N HA 0.493 5.234 4.740 0.002 0.000 0.289 927 N C -2.205 173.123 175.510 -0.303 0.000 1.074 927 N CA -0.710 52.102 53.050 -0.398 0.000 0.905 927 N CB 2.418 40.782 38.487 -0.205 0.000 1.586 927 N HN 0.628 nan 8.380 nan 0.000 0.490 928 V N 5.792 125.483 119.914 -0.371 0.000 2.389 928 V HA 0.155 4.276 4.120 0.002 0.000 0.264 928 V C 1.504 177.421 176.094 -0.295 0.000 1.049 928 V CA -0.265 61.748 62.300 -0.478 0.000 0.932 928 V CB 0.422 31.909 31.823 -0.561 0.000 1.011 928 V HN 0.674 nan 8.190 nan 0.000 0.475 929 I N 1.131 121.537 120.570 -0.273 0.000 3.265 929 I HA 0.452 4.623 4.170 0.002 0.000 0.282 929 I C 0.672 176.766 176.117 -0.038 0.000 1.207 929 I CA 0.523 61.756 61.300 -0.112 0.000 1.449 929 I CB 0.509 38.459 38.000 -0.084 0.000 1.121 929 I HN 0.627 nan 8.210 nan 0.000 0.442 930 E N 0.934 121.053 120.200 -0.135 0.000 2.335 930 E HA 0.522 4.873 4.350 0.002 0.000 0.280 930 E C -1.795 174.766 176.600 -0.065 0.000 0.918 930 E CA -0.622 55.789 56.400 0.019 0.000 0.765 930 E CB 2.155 31.866 29.700 0.019 0.000 1.218 930 E HN 0.147 nan 8.360 nan 0.000 0.425 931 F N 2.639 122.582 119.950 -0.012 0.000 2.575 931 F HA 0.450 4.978 4.527 0.002 0.000 0.330 931 F C -1.641 174.038 175.800 -0.203 0.000 1.056 931 F CA -2.024 55.920 58.000 -0.093 0.000 0.964 931 F CB 1.475 40.434 39.000 -0.068 0.000 1.258 931 F HN 0.383 nan 8.300 nan 0.000 0.484 932 P HA -0.071 nan 4.420 nan 0.000 0.218 932 P C -0.641 176.570 177.300 -0.148 0.000 1.152 932 P CA 1.114 64.058 63.100 -0.260 0.000 0.826 932 P CB 0.014 31.472 31.700 -0.403 0.000 0.790 933 Y N -0.410 119.972 120.300 0.137 0.000 2.397 933 Y HA 0.142 4.693 4.550 0.002 0.000 0.335 933 Y C 1.938 177.875 175.900 0.061 0.000 1.213 933 Y CA -0.260 57.886 58.100 0.077 0.000 1.391 933 Y CB 0.572 39.063 38.460 0.053 0.000 1.293 933 Y HN -0.206 nan 8.280 nan 0.000 0.557 934 K N 1.106 121.609 120.400 0.171 0.000 2.485 934 K HA 0.039 4.360 4.320 0.002 0.000 0.200 934 K C 0.644 177.286 176.600 0.070 0.000 1.344 934 K CA 0.364 56.710 56.287 0.098 0.000 0.948 934 K CB 0.047 32.590 32.500 0.072 0.000 1.454 934 K HN 0.706 nan 8.250 nan 0.000 0.502 935 N N 1.373 120.114 118.700 0.068 0.000 2.573 935 N HA -0.029 4.712 4.740 0.002 0.000 0.187 935 N C 0.014 175.540 175.510 0.026 0.000 1.107 935 N CA 0.512 53.587 53.050 0.040 0.000 0.918 935 N CB 0.134 38.642 38.487 0.035 0.000 0.966 935 N HN 0.095 nan 8.380 nan 0.000 0.448 936 L N 1.853 123.096 121.223 0.032 0.000 2.322 936 L HA 0.347 4.688 4.340 0.002 0.000 0.279 936 L C -1.910 174.948 176.870 -0.021 0.000 1.036 936 L CA -1.876 52.965 54.840 0.002 0.000 0.807 936 L CB 0.656 42.707 42.059 -0.012 0.000 1.226 936 L HN -0.109 nan 8.230 nan 0.000 0.433 937 P HA 0.099 nan 4.420 nan 0.000 0.264 937 P C -0.545 176.696 177.300 -0.099 0.000 1.229 937 P CA -0.025 63.048 63.100 -0.044 0.000 0.780 937 P CB 0.081 31.767 31.700 -0.024 0.000 0.808 938 I N 0.551 121.039 120.570 -0.137 0.000 2.677 938 I HA 0.563 4.735 4.170 0.002 0.000 0.305 938 I C -0.390 175.649 176.117 -0.131 0.000 0.988 938 I CA -0.951 60.185 61.300 -0.273 0.000 1.260 938 I CB 1.235 39.044 38.000 -0.318 0.000 1.410 938 I HN 0.095 nan 8.210 nan 0.000 0.523 939 E N 2.257 122.391 120.200 -0.110 0.000 2.292 939 E HA 0.361 4.712 4.350 0.002 0.000 0.272 939 E C -1.713 174.949 176.600 0.102 0.000 0.881 939 E CA -0.679 55.723 56.400 0.003 0.000 0.754 939 E CB 1.584 31.285 29.700 0.002 0.000 1.201 939 E HN 0.459 nan 8.360 nan 0.000 0.425 940 D N 1.738 122.182 120.400 0.073 0.000 2.425 940 D HA 0.176 4.817 4.640 0.002 0.000 0.247 940 D C -0.302 176.003 176.300 0.008 0.000 1.147 940 D CA 0.209 54.243 54.000 0.056 0.000 0.879 940 D CB 0.534 41.327 40.800 -0.013 0.000 1.179 940 D HN 0.332 nan 8.370 nan 0.000 0.456 941 I N 2.288 122.845 120.570 -0.021 0.000 2.354 941 I HA 0.287 4.458 4.170 0.002 0.000 0.292 941 I C 0.620 176.513 176.117 -0.373 0.000 0.989 941 I CA -0.363 60.891 61.300 -0.078 0.000 1.188 941 I CB 1.361 39.395 38.000 0.056 0.000 1.342 941 I HN 0.306 nan 8.210 nan 0.000 0.457 942 T N 1.927 116.232 114.554 -0.414 0.000 2.812 942 T HA 0.671 5.022 4.350 0.002 0.000 0.294 942 T C -0.653 173.762 174.700 -0.474 0.000 1.159 942 T CA -0.850 60.813 62.100 -0.728 0.000 1.008 942 T CB 2.662 71.278 68.868 -0.419 0.000 1.289 942 T HN 0.540 nan 8.240 nan 0.000 0.514 943 N N -1.157 117.292 118.700 -0.418 0.000 4.200 943 N HA 0.426 5.167 4.740 0.002 0.000 0.224 943 N C -1.724 173.880 175.510 0.156 0.000 1.298 943 N CA 0.254 53.314 53.050 0.016 0.000 0.795 943 N CB 1.306 39.951 38.487 0.263 0.000 1.495 943 N HN 1.243 nan 8.380 nan 0.000 0.442 944 S N -1.034 114.762 115.700 0.160 0.000 2.705 944 S HA 0.868 5.339 4.470 0.002 0.000 0.280 944 S C -1.185 173.499 174.600 0.140 0.000 1.174 944 S CA -0.375 57.917 58.200 0.154 0.000 0.823 944 S CB 2.381 65.627 63.200 0.077 0.000 1.162 944 S HN 0.691 nan 8.310 nan 0.000 0.487 945 T N 0.614 115.252 114.554 0.141 0.000 2.977 945 T HA 0.508 4.859 4.350 0.002 0.000 0.345 945 T C -1.831 172.985 174.700 0.193 0.000 1.562 945 T CA -0.802 61.389 62.100 0.151 0.000 1.090 945 T CB 0.896 69.870 68.868 0.176 0.000 1.383 945 T HN 1.126 nan 8.240 nan 0.000 0.484 946 L N 1.347 122.658 121.223 0.146 0.000 2.333 946 L HA 1.045 5.386 4.340 0.002 0.000 0.269 946 L C -1.293 175.644 176.870 0.112 0.000 1.010 946 L CA -1.060 53.871 54.840 0.151 0.000 0.818 946 L CB 2.018 44.123 42.059 0.076 0.000 1.306 946 L HN 0.351 nan 8.230 nan 0.000 0.430 947 V N 1.220 121.210 119.914 0.126 0.000 2.419 947 V HA 0.361 4.482 4.120 0.002 0.000 0.287 947 V C 0.218 176.278 176.094 -0.056 0.000 1.017 947 V CA -0.204 62.069 62.300 -0.045 0.000 0.844 947 V CB 1.829 33.525 31.823 -0.211 0.000 1.011 947 V HN 1.015 nan 8.190 nan 0.000 0.429 948 T N 1.045 115.535 114.554 -0.106 0.000 2.922 948 T HA 0.616 4.967 4.350 0.002 0.000 0.285 948 T C -0.026 174.582 174.700 -0.154 0.000 1.005 948 T CA -0.608 61.434 62.100 -0.098 0.000 1.061 948 T CB 1.622 70.432 68.868 -0.097 0.000 1.007 948 T HN 0.498 nan 8.240 nan 0.000 0.502 949 T N 2.743 117.228 114.554 -0.116 0.000 3.089 949 T HA 0.327 4.678 4.350 0.002 0.000 0.340 949 T C -0.803 173.790 174.700 -0.178 0.000 1.008 949 T CA -0.846 61.176 62.100 -0.130 0.000 1.096 949 T CB 0.235 69.099 68.868 -0.007 0.000 1.024 949 T HN 0.554 nan 8.240 nan 0.000 0.477 950 N N 2.529 121.050 118.700 -0.300 0.000 2.422 950 N HA 0.343 5.084 4.740 0.002 0.000 0.264 950 N C 0.053 175.299 175.510 -0.440 0.000 1.063 950 N CA -0.482 52.336 53.050 -0.386 0.000 0.959 950 N CB 1.398 39.551 38.487 -0.556 0.000 1.087 950 N HN 0.495 nan 8.380 nan 0.000 0.483 951 V N -0.114 119.642 119.914 -0.263 0.000 2.294 951 V HA 0.570 4.691 4.120 0.002 0.000 0.272 951 V C 0.413 176.348 176.094 -0.266 0.000 1.027 951 V CA -0.821 61.335 62.300 -0.241 0.000 0.823 951 V CB 0.171 31.909 31.823 -0.142 0.000 1.030 951 V HN 0.632 nan 8.190 nan 0.000 0.457 952 T N 0.838 115.228 114.554 -0.272 0.000 2.943 952 T HA 0.612 4.963 4.350 0.002 0.000 0.284 952 T C -0.743 173.857 174.700 -0.165 0.000 1.015 952 T CA -0.559 61.441 62.100 -0.167 0.000 1.042 952 T CB 1.509 70.397 68.868 0.034 0.000 1.055 952 T HN 0.673 nan 8.240 nan 0.000 0.500 953 W N 1.287 122.605 121.300 0.031 0.000 2.317 953 W HA 0.518 5.179 4.660 0.002 0.000 0.327 953 W C 1.289 177.862 176.519 0.091 0.000 1.036 953 W CA -0.854 56.519 57.345 0.046 0.000 1.419 953 W CB 0.791 30.250 29.460 -0.002 0.000 1.253 953 W HN 1.092 nan 8.180 nan 0.000 0.392 954 G N 2.086 111.090 108.800 0.339 0.000 2.494 954 G HA2 -0.128 3.833 3.960 0.002 0.000 0.216 954 G HA3 -0.128 3.833 3.960 0.002 0.000 0.216 954 G C 1.123 176.114 174.900 0.152 0.000 1.140 954 G CA 0.803 46.058 45.100 0.258 0.000 0.801 954 G HN 0.379 nan 8.290 nan 0.000 0.536 955 I N -0.478 120.188 120.570 0.159 0.000 2.900 955 I HA 0.188 4.359 4.170 0.002 0.000 0.251 955 I C 1.078 177.241 176.117 0.077 0.000 1.102 955 I CA 0.494 61.846 61.300 0.087 0.000 1.457 955 I CB -1.016 37.025 38.000 0.070 0.000 1.285 955 I HN 0.273 nan 8.210 nan 0.000 0.459 956 Q N 0.000 119.853 119.800 0.088 0.000 2.315 956 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 956 Q CA 0.000 55.804 55.803 0.001 0.000 1.022 956 Q CB 0.000 28.739 28.738 0.002 0.000 1.108 956 Q HN 0.000 nan 8.270 nan 0.000 0.481