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 3ije_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 VTWGIQPAPM PVPVWVI 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 0.000 175.798 175.800 -0.003 0.000 0.967 1 F CA 0.000 58.001 58.000 0.002 0.000 1.383 1 F CB 0.000 39.014 39.000 0.024 0.000 1.145 2 N N 1.066 119.435 118.700 -0.552 0.000 2.200 2 N HA 0.223 4.965 4.740 0.003 0.000 0.224 2 N C -0.503 174.868 175.510 -0.231 0.000 1.179 2 N CA -0.022 52.739 53.050 -0.482 0.000 0.877 2 N CB 0.451 38.490 38.487 -0.745 0.000 1.072 2 N HN 0.217 nan 8.380 nan 0.000 0.519 3 L N 2.409 123.548 121.223 -0.141 0.000 2.418 3 L HA 0.112 4.453 4.340 0.003 0.000 0.274 3 L C 0.666 177.538 176.870 0.005 0.000 1.135 3 L CA 0.123 54.935 54.840 -0.047 0.000 0.870 3 L CB 0.177 42.199 42.059 -0.062 0.000 1.154 3 L HN 0.165 nan 8.230 nan 0.000 0.462 4 D N 3.444 123.881 120.400 0.062 0.000 2.382 4 D HA 0.010 4.652 4.640 0.003 0.000 0.259 4 D C 0.477 176.897 176.300 0.200 0.000 1.224 4 D CA 0.010 54.065 54.000 0.090 0.000 0.894 4 D CB 1.110 41.959 40.800 0.082 0.000 1.127 4 D HN 0.337 nan 8.370 nan 0.000 0.487 5 V N 3.110 123.112 119.914 0.146 0.000 3.578 5 V HA -0.001 4.121 4.120 0.003 0.000 0.290 5 V C 1.266 177.433 176.094 0.122 0.000 1.376 5 V CA -0.097 62.335 62.300 0.220 0.000 1.083 5 V CB 0.357 32.238 31.823 0.096 0.000 0.911 5 V HN 0.387 nan 8.190 nan 0.000 0.433 6 D N 0.639 121.078 120.400 0.065 0.000 2.137 6 D HA -0.014 4.627 4.640 0.003 0.000 0.202 6 D C 1.512 177.825 176.300 0.022 0.000 0.970 6 D CA 1.446 55.458 54.000 0.020 0.000 0.837 6 D CB 0.170 40.969 40.800 -0.002 0.000 0.981 6 D HN 0.385 nan 8.370 nan 0.000 0.475 7 S N 0.604 116.329 115.700 0.042 0.000 2.300 7 S HA 0.271 4.743 4.470 0.003 0.000 0.172 7 S C -2.728 171.899 174.600 0.045 0.000 1.484 7 S CA -1.182 57.037 58.200 0.032 0.000 1.265 7 S CB 0.259 63.475 63.200 0.027 0.000 1.313 7 S HN -0.100 nan 8.310 nan 0.000 0.387 8 P HA 0.429 nan 4.420 nan 0.000 0.276 8 P C -0.625 176.664 177.300 -0.019 0.000 1.244 8 P CA -0.408 62.662 63.100 -0.051 0.000 0.801 8 P CB 0.918 32.386 31.700 -0.386 0.000 1.006 9 A N 2.234 125.089 122.820 0.058 0.000 2.366 9 A HA 0.287 4.609 4.320 0.003 0.000 0.272 9 A C 0.195 177.799 177.584 0.033 0.000 1.135 9 A CA -0.359 51.716 52.037 0.064 0.000 0.804 9 A CB -0.068 19.101 19.000 0.283 0.000 1.064 9 A HN 0.517 nan 8.150 nan 0.000 0.499 10 E N 1.779 121.895 120.200 -0.140 0.000 2.165 10 E HA 0.460 4.812 4.350 0.003 0.000 0.266 10 E C -1.680 174.770 176.600 -0.250 0.000 0.889 10 E CA -0.157 56.230 56.400 -0.020 0.000 0.756 10 E CB 1.590 31.360 29.700 0.116 0.000 1.131 10 E HN 0.642 nan 8.360 nan 0.000 0.411 11 Y N 0.515 120.889 120.300 0.123 0.000 2.524 11 Y HA 0.389 4.940 4.550 0.002 0.000 0.344 11 Y C 0.374 176.286 175.900 0.021 0.000 1.012 11 Y CA -0.716 57.451 58.100 0.111 0.000 1.068 11 Y CB 2.273 40.897 38.460 0.274 0.000 1.249 11 Y HN 0.458 nan 8.280 nan 0.000 0.468 12 S N 0.141 115.722 115.700 -0.198 0.000 2.536 12 S HA 0.855 5.326 4.470 0.003 0.000 0.271 12 S C -0.611 173.278 174.600 -1.183 0.000 1.134 12 S CA -0.583 57.241 58.200 -0.626 0.000 0.897 12 S CB 1.534 64.509 63.200 -0.376 0.000 1.094 12 S HN 1.014 nan 8.310 nan 0.000 0.473 13 G N 1.143 108.997 108.800 -1.577 0.000 2.642 13 G HA2 0.799 4.761 3.960 0.003 0.000 0.291 13 G HA3 0.799 4.761 3.960 0.003 0.000 0.291 13 G C -2.879 171.821 174.900 -0.334 0.000 1.345 13 G CA -1.995 42.561 45.100 -0.907 0.000 1.043 13 G HN 0.662 nan 8.290 nan 0.000 0.528 14 P HA 0.168 nan 4.420 nan 0.000 0.274 14 P C -0.187 177.083 177.300 -0.050 0.000 1.231 14 P CA -0.258 62.786 63.100 -0.093 0.000 0.790 14 P CB 0.820 32.483 31.700 -0.061 0.000 0.951 15 E N 0.604 120.776 120.200 -0.046 0.000 2.384 15 E HA 0.295 4.646 4.350 0.003 0.000 0.266 15 E C 0.745 177.342 176.600 -0.005 0.000 1.012 15 E CA -0.233 56.158 56.400 -0.015 0.000 0.901 15 E CB -0.491 29.197 29.700 -0.020 0.000 0.967 15 E HN 0.773 nan 8.360 nan 0.000 0.435 16 G N 2.854 111.674 108.800 0.033 0.000 2.176 16 G HA2 -0.389 3.572 3.960 0.003 0.000 0.253 16 G HA3 -0.389 3.572 3.960 0.003 0.000 0.253 16 G C 0.851 175.664 174.900 -0.145 0.000 0.979 16 G CA 0.504 45.592 45.100 -0.020 0.000 0.641 16 G HN 0.883 nan 8.290 nan 0.000 0.530 17 S N -0.720 114.953 115.700 -0.046 0.000 2.593 17 S HA 0.227 4.698 4.470 0.003 0.000 0.217 17 S C 1.227 175.813 174.600 -0.023 0.000 0.966 17 S CA 0.864 59.008 58.200 -0.094 0.000 0.914 17 S CB -0.511 62.696 63.200 0.012 0.000 0.776 17 S HN 1.254 nan 8.310 nan 0.000 0.523 18 Y N -0.248 120.079 120.300 0.045 0.000 3.825 18 Y HA -0.276 4.276 4.550 0.002 0.000 0.221 18 Y C 0.280 176.294 175.900 0.190 0.000 1.195 18 Y CA -0.238 57.948 58.100 0.144 0.000 1.699 18 Y CB -2.407 35.951 38.460 -0.171 0.000 1.531 18 Y HN 0.525 nan 8.280 nan 0.000 0.640 19 F N 1.817 121.886 119.950 0.198 0.000 2.569 19 F HA 0.278 4.806 4.527 0.002 0.000 0.395 19 F C 1.121 177.035 175.800 0.189 0.000 1.028 19 F CA 1.794 59.875 58.000 0.134 0.000 1.158 19 F CB 0.530 39.577 39.000 0.078 0.000 1.023 19 F HN 0.292 nan 8.300 nan 0.000 0.547 20 G N 4.959 113.574 108.800 -0.308 0.000 2.211 20 G HA2 -0.354 3.607 3.960 0.003 0.000 0.201 20 G HA3 -0.354 3.607 3.960 0.003 0.000 0.201 20 G C 0.723 175.656 174.900 0.055 0.000 0.997 20 G CA 0.090 45.093 45.100 -0.162 0.000 0.652 20 G HN 0.723 nan 8.290 nan 0.000 0.500 21 F N 2.068 122.001 119.950 -0.029 0.000 2.202 21 F HA 0.415 4.944 4.527 0.002 0.000 0.301 21 F C 1.414 177.181 175.800 -0.056 0.000 1.082 21 F CA 2.287 60.228 58.000 -0.097 0.000 1.313 21 F CB 0.107 38.942 39.000 -0.274 0.000 1.024 21 F HN 0.618 nan 8.300 nan 0.000 0.495 22 A N 0.014 122.805 122.820 -0.048 0.000 2.422 22 A HA 0.646 4.968 4.320 0.003 0.000 0.302 22 A C -1.194 176.292 177.584 -0.164 0.000 1.041 22 A CA -0.047 51.910 52.037 -0.134 0.000 0.708 22 A CB 1.249 20.203 19.000 -0.076 0.000 1.257 22 A HN 0.352 nan 8.150 nan 0.000 0.414 23 V N -0.815 118.999 119.914 -0.167 0.000 2.962 23 V HA 0.995 5.116 4.120 0.003 0.000 0.313 23 V C -1.138 174.859 176.094 -0.162 0.000 1.099 23 V CA -0.639 61.542 62.300 -0.197 0.000 0.971 23 V CB 2.083 33.774 31.823 -0.221 0.000 1.028 23 V HN 0.962 nan 8.190 nan 0.000 0.430 24 D N 0.580 120.864 120.400 -0.192 0.000 2.694 24 D HA 0.432 5.074 4.640 0.003 0.000 0.260 24 D C -1.637 174.554 176.300 -0.182 0.000 1.250 24 D CA -0.395 53.535 54.000 -0.116 0.000 0.763 24 D CB 1.974 42.792 40.800 0.029 0.000 1.311 24 D HN 0.451 nan 8.370 nan 0.000 0.420 25 F N 1.090 121.072 119.950 0.055 0.000 2.375 25 F HA 0.451 4.979 4.527 0.003 0.000 0.333 25 F C 0.376 176.295 175.800 0.197 0.000 1.104 25 F CA -0.612 57.441 58.000 0.089 0.000 1.149 25 F CB 0.882 39.899 39.000 0.029 0.000 1.190 25 F HN 0.106 nan 8.300 nan 0.000 0.533 26 F N 2.800 122.903 119.950 0.254 0.000 2.402 26 F HA 0.597 5.126 4.527 0.002 0.000 0.355 26 F C -0.970 174.967 175.800 0.228 0.000 1.123 26 F CA -0.765 57.356 58.000 0.203 0.000 1.021 26 F CB 0.870 39.980 39.000 0.183 0.000 1.160 26 F HN 0.089 nan 8.300 nan 0.000 0.451 27 V N 7.558 127.294 119.914 -0.297 0.000 2.320 27 V HA 0.249 4.371 4.120 0.003 0.000 0.257 27 V C -2.203 173.616 176.094 -0.458 0.000 0.996 27 V CA -1.375 60.744 62.300 -0.301 0.000 0.928 27 V CB 0.090 31.824 31.823 -0.148 0.000 1.169 27 V HN 0.565 nan 8.190 nan 0.000 0.475 28 P HA 0.163 nan 4.420 nan 0.000 0.275 28 P C 0.940 178.102 177.300 -0.231 0.000 1.228 28 P CA 0.062 62.838 63.100 -0.539 0.000 0.786 28 P CB 1.499 32.856 31.700 -0.571 0.000 0.927 29 S N 1.248 116.863 115.700 -0.142 0.000 2.496 29 S HA 0.013 4.484 4.470 0.003 0.000 0.224 29 S C 1.755 176.324 174.600 -0.052 0.000 0.996 29 S CA 0.533 58.681 58.200 -0.086 0.000 0.927 29 S CB -0.816 62.343 63.200 -0.067 0.000 0.774 29 S HN 0.507 nan 8.310 nan 0.000 0.524 30 A N 0.869 123.666 122.820 -0.037 0.000 2.206 30 A HA 0.412 4.733 4.320 0.003 0.000 0.211 30 A C 1.147 178.737 177.584 0.010 0.000 1.158 30 A CA 0.589 52.623 52.037 -0.005 0.000 0.761 30 A CB -0.248 18.761 19.000 0.016 0.000 0.801 30 A HN 0.527 nan 8.150 nan 0.000 0.473 31 S N -2.164 113.537 115.700 0.002 0.000 2.569 31 S HA 0.424 4.896 4.470 0.003 0.000 0.280 31 S C 0.669 175.270 174.600 0.003 0.000 1.111 31 S CA 0.285 58.505 58.200 0.033 0.000 0.887 31 S CB 1.702 64.969 63.200 0.111 0.000 1.095 31 S HN 0.258 nan 8.310 nan 0.000 0.476 32 S N 1.771 117.477 115.700 0.010 0.000 2.522 32 S HA 0.219 4.691 4.470 0.003 0.000 0.227 32 S C 0.729 175.313 174.600 -0.026 0.000 0.986 32 S CA 0.427 58.621 58.200 -0.010 0.000 0.929 32 S CB -0.239 62.961 63.200 0.001 0.000 0.769 32 S HN 0.680 nan 8.310 nan 0.000 0.529 33 R N 0.395 120.882 120.500 -0.022 0.000 2.573 33 R HA 0.622 4.963 4.340 0.003 0.000 0.272 33 R C -0.479 175.709 176.300 -0.186 0.000 1.009 33 R CA -0.126 55.902 56.100 -0.120 0.000 1.059 33 R CB 1.143 31.337 30.300 -0.176 0.000 1.112 33 R HN 0.328 nan 8.270 nan 0.000 0.517 34 M N 1.734 121.135 119.600 -0.332 0.000 2.530 34 M HA 0.505 4.986 4.480 0.003 0.000 0.307 34 M C -1.245 174.851 176.300 -0.340 0.000 1.161 34 M CA -0.559 54.624 55.300 -0.195 0.000 0.903 34 M CB 1.771 34.308 32.600 -0.104 0.000 1.711 34 M HN 0.328 nan 8.290 nan 0.000 0.451 35 F N 1.512 121.588 119.950 0.211 0.000 2.691 35 F HA 0.831 5.359 4.527 0.002 0.000 0.334 35 F C -0.739 175.171 175.800 0.183 0.000 1.107 35 F CA -1.114 57.032 58.000 0.242 0.000 0.991 35 F CB 1.320 40.503 39.000 0.305 0.000 1.400 35 F HN 0.450 nan 8.300 nan 0.000 0.503 36 L N 0.303 121.679 121.223 0.256 0.000 2.381 36 L HA 0.792 5.133 4.340 0.003 0.000 0.268 36 L C -1.614 175.237 176.870 -0.032 0.000 0.997 36 L CA -0.784 54.048 54.840 -0.013 0.000 0.818 36 L CB 1.725 43.619 42.059 -0.275 0.000 1.310 36 L HN 0.426 nan 8.230 nan 0.000 0.416 37 L N 3.683 124.861 121.223 -0.075 0.000 2.298 37 L HA 0.712 5.054 4.340 0.003 0.000 0.284 37 L C -0.773 175.997 176.870 -0.166 0.000 1.013 37 L CA -0.877 53.915 54.840 -0.080 0.000 0.824 37 L CB 1.824 43.861 42.059 -0.037 0.000 1.221 37 L HN 0.474 nan 8.230 nan 0.000 0.418 38 V N 1.987 121.781 119.914 -0.200 0.000 2.384 38 V HA 0.491 4.612 4.120 0.003 0.000 0.287 38 V C 0.714 176.629 176.094 -0.298 0.000 1.020 38 V CA -0.628 61.448 62.300 -0.373 0.000 0.850 38 V CB 1.487 32.856 31.823 -0.756 0.000 0.987 38 V HN 0.846 nan 8.190 nan 0.000 0.436 39 G N 3.202 111.850 108.800 -0.253 0.000 2.370 39 G HA2 0.530 4.492 3.960 0.003 0.000 0.272 39 G HA3 0.530 4.492 3.960 0.003 0.000 0.272 39 G C 0.075 174.893 174.900 -0.137 0.000 1.208 39 G CA 0.083 45.076 45.100 -0.180 0.000 0.856 39 G HN 1.161 nan 8.290 nan 0.000 0.500 40 A N 5.035 127.800 122.820 -0.092 0.000 3.105 40 A HA 0.628 4.950 4.320 0.003 0.000 0.336 40 A C -1.259 176.249 177.584 -0.127 0.000 1.042 40 A CA -1.176 50.849 52.037 -0.019 0.000 0.851 40 A CB 1.304 20.374 19.000 0.117 0.000 1.068 40 A HN 0.473 nan 8.150 nan 0.000 0.477 41 P HA -0.109 nan 4.420 nan 0.000 0.226 41 P C 0.702 177.633 177.300 -0.615 0.000 1.153 41 P CA 1.155 64.000 63.100 -0.424 0.000 0.777 41 P CB 0.287 31.628 31.700 -0.599 0.000 0.794 42 K N -0.630 119.397 120.400 -0.621 0.000 2.372 42 K HA 0.296 4.617 4.320 0.003 0.000 0.200 42 K C 0.593 177.008 176.600 -0.309 0.000 1.022 42 K CA -0.317 55.619 56.287 -0.585 0.000 1.125 42 K CB 0.516 32.507 32.500 -0.848 0.000 0.855 42 K HN 0.019 nan 8.250 nan 0.000 0.524 43 A N 1.913 124.617 122.820 -0.193 0.000 2.488 43 A HA 0.107 4.428 4.320 0.003 0.000 0.249 43 A C 0.028 177.559 177.584 -0.088 0.000 1.083 43 A CA -0.273 51.706 52.037 -0.097 0.000 0.768 43 A CB 0.096 19.081 19.000 -0.024 0.000 1.017 43 A HN 0.198 nan 8.150 nan 0.000 0.496 44 N N 1.059 119.710 118.700 -0.080 0.000 2.508 44 N HA 0.352 5.093 4.740 0.003 0.000 0.264 44 N C 0.446 175.931 175.510 -0.043 0.000 1.216 44 N CA 0.760 53.768 53.050 -0.071 0.000 0.943 44 N CB 1.156 39.603 38.487 -0.066 0.000 1.113 44 N HN 0.855 nan 8.380 nan 0.000 0.447 45 T N -3.773 110.757 114.554 -0.041 0.000 2.864 45 T HA 0.333 4.684 4.350 0.003 0.000 0.289 45 T C 1.025 175.706 174.700 -0.031 0.000 1.082 45 T CA -0.717 61.366 62.100 -0.028 0.000 1.009 45 T CB 1.017 69.870 68.868 -0.025 0.000 1.234 45 T HN 0.423 nan 8.240 nan 0.000 0.526 46 T N -1.856 112.682 114.554 -0.028 0.000 3.148 46 T HA 0.122 4.474 4.350 0.003 0.000 0.253 46 T C 0.609 175.293 174.700 -0.028 0.000 1.134 46 T CA -0.042 62.042 62.100 -0.026 0.000 1.051 46 T CB -0.552 68.301 68.868 -0.024 0.000 0.959 46 T HN 0.680 nan 8.240 nan 0.000 0.525 47 Q N 2.840 122.620 119.800 -0.035 0.000 2.269 47 Q HA 0.146 4.488 4.340 0.003 0.000 0.300 47 Q C -2.442 173.546 176.000 -0.020 0.000 1.070 47 Q CA -1.309 54.475 55.803 -0.033 0.000 0.957 47 Q CB 0.079 28.792 28.738 -0.042 0.000 1.131 47 Q HN 0.272 nan 8.270 nan 0.000 0.377 48 P HA -0.029 nan 4.420 nan 0.000 0.262 48 P C 0.253 177.553 177.300 0.000 0.000 1.199 48 P CA 0.752 63.849 63.100 -0.006 0.000 0.763 48 P CB 0.473 32.172 31.700 -0.002 0.000 0.790 49 G N 3.321 112.121 108.800 -0.000 0.000 2.249 49 G HA2 -0.208 3.753 3.960 0.003 0.000 0.273 49 G HA3 -0.208 3.753 3.960 0.003 0.000 0.273 49 G C -0.078 174.828 174.900 0.010 0.000 1.036 49 G CA -0.410 44.694 45.100 0.007 0.000 0.824 49 G HN 0.484 nan 8.290 nan 0.000 0.504 50 I N 0.501 121.066 120.570 -0.008 0.000 2.468 50 I HA 0.320 4.492 4.170 0.003 0.000 0.284 50 I C 0.316 176.391 176.117 -0.070 0.000 1.038 50 I CA -1.110 60.179 61.300 -0.019 0.000 1.083 50 I CB 1.735 39.731 38.000 -0.007 0.000 1.223 50 I HN -0.117 nan 8.210 nan 0.000 0.443 51 V N 6.367 126.206 119.914 -0.126 0.000 2.432 51 V HA 0.250 4.372 4.120 0.003 0.000 0.275 51 V C 0.649 176.508 176.094 -0.390 0.000 1.043 51 V CA -0.452 61.720 62.300 -0.213 0.000 0.925 51 V CB 0.564 32.274 31.823 -0.188 0.000 0.985 51 V HN 0.841 nan 8.190 nan 0.000 0.466 52 E N 2.891 122.929 120.200 -0.270 0.000 2.252 52 E HA -0.223 4.129 4.350 0.003 0.000 0.218 52 E C 1.471 177.950 176.600 -0.202 0.000 1.253 52 E CA 0.442 56.682 56.400 -0.266 0.000 0.705 52 E CB -1.097 28.407 29.700 -0.328 0.000 1.172 52 E HN 1.037 nan 8.360 nan 0.000 0.369 53 G N 0.791 109.526 108.800 -0.107 0.000 2.471 53 G HA2 0.183 4.145 3.960 0.003 0.000 0.219 53 G HA3 0.183 4.145 3.960 0.003 0.000 0.219 53 G C 0.908 175.841 174.900 0.055 0.000 1.125 53 G CA 0.654 45.749 45.100 -0.008 0.000 0.775 53 G HN 0.934 nan 8.290 nan 0.000 0.548 54 G N -0.959 107.838 108.800 -0.005 0.000 2.758 54 G HA2 0.224 4.185 3.960 0.003 0.000 0.686 54 G HA3 0.224 4.185 3.960 0.003 0.000 0.686 54 G C -0.478 174.522 174.900 0.166 0.000 1.389 54 G CA 0.094 45.200 45.100 0.010 0.000 0.845 54 G HN 1.244 nan 8.290 nan 0.000 0.572 55 Q N -2.180 117.685 119.800 0.108 0.000 2.685 55 Q HA 0.776 5.118 4.340 0.003 0.000 0.301 55 Q C -1.343 174.667 176.000 0.016 0.000 0.924 55 Q CA -1.229 54.690 55.803 0.193 0.000 0.755 55 Q CB 2.056 30.889 28.738 0.158 0.000 1.470 55 Q HN 1.166 nan 8.270 nan 0.000 0.434 56 V N 1.074 121.035 119.914 0.079 0.000 2.680 56 V HA 0.549 4.671 4.120 0.003 0.000 0.309 56 V C -1.005 175.145 176.094 0.093 0.000 1.052 56 V CA -0.762 61.546 62.300 0.012 0.000 0.908 56 V CB 1.601 33.420 31.823 -0.008 0.000 1.001 56 V HN 0.600 nan 8.190 nan 0.000 0.431 57 L N 3.943 125.197 121.223 0.052 0.000 2.341 57 L HA 0.544 4.886 4.340 0.003 0.000 0.278 57 L C -0.002 176.884 176.870 0.027 0.000 1.005 57 L CA -0.247 54.641 54.840 0.080 0.000 0.818 57 L CB 1.569 43.747 42.059 0.198 0.000 1.259 57 L HN 0.476 nan 8.230 nan 0.000 0.418 58 K N 2.217 122.612 120.400 -0.009 0.000 2.258 58 K HA 0.454 4.775 4.320 0.003 0.000 0.284 58 K C -1.379 175.273 176.600 0.086 0.000 1.051 58 K CA -0.331 55.937 56.287 -0.033 0.000 0.923 58 K CB 0.782 33.164 32.500 -0.197 0.000 1.046 58 K HN 0.666 nan 8.250 nan 0.000 0.474 59 c N 3.799 122.489 118.600 0.150 0.000 2.351 59 c HA 0.288 4.859 4.570 0.003 0.000 0.326 59 c C -0.713 173.590 174.090 0.356 0.000 1.272 59 c CA -1.053 55.394 56.329 0.197 0.000 1.650 59 c CB 0.688 43.181 42.510 -0.029 0.000 2.257 59 c HN 0.751 nan 8.230 nan 0.000 0.505 60 D N 1.276 121.919 120.400 0.404 0.000 2.383 60 D HA 0.088 4.730 4.640 0.003 0.000 0.252 60 D C 0.243 176.780 176.300 0.394 0.000 1.166 60 D CA -0.073 54.165 54.000 0.396 0.000 0.879 60 D CB 0.580 41.551 40.800 0.286 0.000 1.164 60 D HN 0.761 nan 8.370 nan 0.000 0.462 61 W N 2.539 123.915 121.300 0.127 0.000 2.539 61 W HA 0.021 4.682 4.660 0.002 0.000 0.281 61 W C 1.201 177.769 176.519 0.081 0.000 1.220 61 W CA 0.212 57.647 57.345 0.150 0.000 1.332 61 W CB 0.067 29.572 29.460 0.076 0.000 1.095 61 W HN 0.294 nan 8.180 nan 0.000 0.571 62 S N 2.197 117.876 115.700 -0.035 0.000 3.219 62 S HA 0.161 4.632 4.470 0.003 0.000 0.278 62 S C 0.778 175.234 174.600 -0.241 0.000 1.024 62 S CA 1.142 59.220 58.200 -0.203 0.000 1.528 62 S CB -1.343 61.829 63.200 -0.048 0.000 1.548 62 S HN 0.449 nan 8.310 nan 0.000 0.596 63 S N 2.947 118.387 115.700 -0.434 0.000 3.525 63 S HA -0.250 4.222 4.470 0.003 0.000 0.629 63 S C 0.272 174.776 174.600 -0.159 0.000 2.621 63 S CA 1.389 59.412 58.200 -0.295 0.000 3.752 63 S CB -2.165 60.917 63.200 -0.197 0.000 0.260 63 S HN 1.624 nan 8.310 nan 0.000 1.214 64 T N 1.577 116.070 114.554 -0.102 0.000 1.821 64 T HA -0.180 4.172 4.350 0.003 0.000 0.600 64 T C 0.414 175.120 174.700 0.010 0.000 0.922 64 T CA 1.289 63.364 62.100 -0.040 0.000 3.215 64 T CB -0.684 68.184 68.868 0.001 0.000 1.808 64 T HN 0.629 nan 8.240 nan 0.000 0.359 65 R N 1.201 121.660 120.500 -0.068 0.000 2.346 65 R HA 0.120 4.462 4.340 0.003 0.000 0.208 65 R C 1.222 177.586 176.300 0.106 0.000 1.052 65 R CA 0.169 56.207 56.100 -0.104 0.000 1.116 65 R CB -0.079 29.923 30.300 -0.496 0.000 1.003 65 R HN 0.571 nan 8.270 nan 0.000 0.482 66 R N -0.400 120.162 120.500 0.103 0.000 2.594 66 R HA 0.161 4.503 4.340 0.003 0.000 0.272 66 R C -0.762 175.648 176.300 0.183 0.000 1.074 66 R CA 0.033 56.195 56.100 0.103 0.000 1.105 66 R CB 0.502 30.836 30.300 0.057 0.000 1.008 66 R HN 0.141 nan 8.270 nan 0.000 0.472 67 c N 2.527 121.216 118.600 0.148 0.000 2.561 67 c HA 0.431 5.003 4.570 0.003 0.000 0.319 67 c C -0.697 173.454 174.090 0.100 0.000 1.198 67 c CA -0.683 55.745 56.329 0.166 0.000 1.665 67 c CB 1.878 44.525 42.510 0.229 0.000 2.258 67 c HN 0.735 nan 8.230 nan 0.000 0.493 68 Q N 2.527 122.376 119.800 0.082 0.000 2.353 68 Q HA 0.421 4.763 4.340 0.003 0.000 0.268 68 Q C -2.581 173.436 176.000 0.027 0.000 1.045 68 Q CA -1.551 54.275 55.803 0.039 0.000 0.811 68 Q CB 2.578 31.323 28.738 0.012 0.000 1.305 68 Q HN 0.486 nan 8.270 nan 0.000 0.447 69 P HA 0.130 nan 4.420 nan 0.000 0.276 69 P C -0.550 176.743 177.300 -0.011 0.000 1.230 69 P CA 0.025 63.148 63.100 0.039 0.000 0.776 69 P CB 0.775 32.505 31.700 0.049 0.000 0.888 70 I N 3.662 124.227 120.570 -0.009 0.000 2.396 70 I HA 0.023 4.195 4.170 0.003 0.000 0.289 70 I C 1.566 177.597 176.117 -0.144 0.000 1.056 70 I CA -0.238 60.962 61.300 -0.167 0.000 1.365 70 I CB 0.308 38.131 38.000 -0.295 0.000 1.407 70 I HN 0.346 nan 8.210 nan 0.000 0.509 71 E N 7.549 127.624 120.200 -0.208 0.000 1.775 71 E HA 0.009 4.361 4.350 0.003 0.000 0.266 71 E C 0.044 176.506 176.600 -0.230 0.000 1.191 71 E CA 0.025 56.334 56.400 -0.151 0.000 1.048 71 E CB -0.014 29.612 29.700 -0.123 0.000 1.081 71 E HN 0.530 nan 8.360 nan 0.000 0.434 72 F N 1.405 121.244 119.950 -0.186 0.000 2.074 72 F HA -0.049 4.480 4.527 0.002 0.000 0.293 72 F C 1.096 176.614 175.800 -0.470 0.000 1.116 72 F CA 1.183 58.998 58.000 -0.309 0.000 1.212 72 F CB 0.316 39.065 39.000 -0.420 0.000 0.998 72 F HN 0.316 nan 8.300 nan 0.000 0.471 73 D N -0.977 119.191 120.400 -0.388 0.000 2.476 73 D HA 0.421 5.062 4.640 0.003 0.000 0.251 73 D C -0.044 176.110 176.300 -0.242 0.000 1.291 73 D CA -0.232 53.525 54.000 -0.405 0.000 0.939 73 D CB 1.523 41.870 40.800 -0.755 0.000 1.221 73 D HN 0.120 nan 8.370 nan 0.000 0.567 74 A N 2.978 125.717 122.820 -0.136 0.000 2.275 74 A HA 0.253 4.575 4.320 0.003 0.000 0.212 74 A C 0.976 178.524 177.584 -0.060 0.000 1.201 74 A CA 0.403 52.387 52.037 -0.088 0.000 0.843 74 A CB -0.327 18.636 19.000 -0.062 0.000 0.873 74 A HN 0.530 nan 8.150 nan 0.000 0.492 75 T N -3.256 111.265 114.554 -0.056 0.000 2.928 75 T HA 0.606 4.957 4.350 0.003 0.000 0.284 75 T C 0.726 175.419 174.700 -0.012 0.000 1.008 75 T CA -0.053 62.037 62.100 -0.017 0.000 1.057 75 T CB 1.623 70.499 68.868 0.014 0.000 1.018 75 T HN 0.281 nan 8.240 nan 0.000 0.493 76 G N 1.698 110.500 108.800 0.005 0.000 2.582 76 G HA2 0.348 4.309 3.960 0.003 0.000 0.232 76 G HA3 0.348 4.309 3.960 0.003 0.000 0.232 76 G C -0.133 174.787 174.900 0.033 0.000 1.458 76 G CA -0.904 44.205 45.100 0.016 0.000 1.062 76 G HN 0.791 nan 8.290 nan 0.000 0.566 77 N N 0.490 119.204 118.700 0.023 0.000 2.530 77 N HA 0.223 4.965 4.740 0.003 0.000 0.273 77 N C 0.446 175.955 175.510 -0.002 0.000 1.173 77 N CA -0.011 53.040 53.050 0.002 0.000 0.967 77 N CB 0.950 39.396 38.487 -0.068 0.000 1.109 77 N HN 0.341 nan 8.380 nan 0.000 0.453 78 R N 0.563 121.066 120.500 0.005 0.000 2.649 78 R HA 0.257 4.598 4.340 0.003 0.000 0.270 78 R C -0.601 175.672 176.300 -0.045 0.000 1.105 78 R CA -0.193 55.915 56.100 0.013 0.000 1.193 78 R CB 0.495 30.828 30.300 0.055 0.000 1.120 78 R HN 0.477 nan 8.270 nan 0.000 0.561 79 D N 0.390 120.783 120.400 -0.010 0.000 2.593 79 D HA 0.043 4.685 4.640 0.003 0.000 0.251 79 D C 0.066 176.375 176.300 0.015 0.000 1.140 79 D CA -0.319 53.671 54.000 -0.016 0.000 0.855 79 D CB 1.426 42.224 40.800 -0.003 0.000 1.267 79 D HN 0.516 nan 8.370 nan 0.000 0.532 80 Y N 2.969 123.194 120.300 -0.125 0.000 2.145 80 Y HA -0.006 4.546 4.550 0.003 0.000 0.286 80 Y C 0.371 176.243 175.900 -0.046 0.000 1.145 80 Y CA 1.644 59.684 58.100 -0.101 0.000 1.148 80 Y CB 0.358 38.721 38.460 -0.162 0.000 0.981 80 Y HN 0.503 nan 8.280 nan 0.000 0.507 81 A N -0.619 122.226 122.820 0.041 0.000 2.533 81 A HA 0.479 4.800 4.320 0.003 0.000 0.293 81 A C -1.178 176.414 177.584 0.014 0.000 1.228 81 A CA -1.001 51.019 52.037 -0.028 0.000 0.689 81 A CB 0.756 19.765 19.000 0.015 0.000 1.303 81 A HN -0.095 nan 8.150 nan 0.000 0.444 82 K N 1.619 122.021 120.400 0.003 0.000 2.412 82 K HA 0.118 4.439 4.320 0.003 0.000 0.281 82 K C -0.648 175.963 176.600 0.019 0.000 1.027 82 K CA 0.669 56.961 56.287 0.007 0.000 0.989 82 K CB -0.001 32.500 32.500 0.002 0.000 0.935 82 K HN 0.662 nan 8.250 nan 0.000 0.475 83 D N 2.431 122.841 120.400 0.017 0.000 2.697 83 D HA -0.226 4.416 4.640 0.003 0.000 0.238 83 D C -0.842 175.476 176.300 0.030 0.000 1.152 83 D CA 1.057 55.069 54.000 0.021 0.000 0.666 83 D CB -0.394 40.418 40.800 0.020 0.000 1.037 83 D HN 0.553 nan 8.370 nan 0.000 0.423 84 D N -0.303 120.114 120.400 0.028 0.000 2.881 84 D HA 0.172 4.813 4.640 0.003 0.000 0.238 84 D C -2.774 173.522 176.300 -0.007 0.000 1.368 84 D CA -1.081 52.940 54.000 0.036 0.000 0.871 84 D CB 0.911 41.765 40.800 0.090 0.000 1.516 84 D HN -0.106 nan 8.370 nan 0.000 0.544 85 P HA -0.013 nan 4.420 nan 0.000 0.263 85 P C 0.850 177.924 177.300 -0.378 0.000 1.175 85 P CA -0.268 62.685 63.100 -0.244 0.000 0.761 85 P CB 0.796 32.267 31.700 -0.382 0.000 0.794 86 L N 3.212 124.232 121.223 -0.338 0.000 2.341 86 L HA 0.063 4.404 4.340 0.003 0.000 0.214 86 L C 0.919 177.439 176.870 -0.584 0.000 1.115 86 L CA 1.454 56.042 54.840 -0.421 0.000 0.820 86 L CB -0.375 41.505 42.059 -0.298 0.000 0.944 86 L HN 0.481 nan 8.230 nan 0.000 0.452 87 E N -2.221 117.613 120.200 -0.608 0.000 2.433 87 E HA 0.353 4.705 4.350 0.003 0.000 0.278 87 E C -1.453 174.646 176.600 -0.835 0.000 0.976 87 E CA -0.807 55.283 56.400 -0.516 0.000 0.793 87 E CB 0.930 30.677 29.700 0.078 0.000 1.311 87 E HN -0.066 nan 8.360 nan 0.000 0.460 88 F N 0.780 120.708 119.950 -0.036 0.000 2.577 88 F HA 0.408 4.936 4.527 0.003 0.000 0.344 88 F C 0.773 176.637 175.800 0.108 0.000 1.145 88 F CA -0.729 57.282 58.000 0.018 0.000 0.996 88 F CB 1.911 40.896 39.000 -0.025 0.000 1.248 88 F HN 0.390 nan 8.300 nan 0.000 0.447 89 K N 0.462 121.030 120.400 0.280 0.000 2.262 89 K HA 0.047 4.368 4.320 0.003 0.000 0.200 89 K C 0.761 177.491 176.600 0.217 0.000 1.049 89 K CA 0.336 56.799 56.287 0.292 0.000 0.979 89 K CB 0.224 32.844 32.500 0.200 0.000 0.773 89 K HN 0.604 nan 8.250 nan 0.000 0.474 90 S N 1.454 117.249 115.700 0.159 0.000 2.537 90 S HA -0.015 4.457 4.470 0.003 0.000 0.286 90 S C 0.052 174.725 174.600 0.122 0.000 1.299 90 S CA -0.319 57.899 58.200 0.031 0.000 1.067 90 S CB 0.071 63.263 63.200 -0.012 0.000 0.864 90 S HN 0.399 nan 8.310 nan 0.000 0.494 91 H N 0.686 119.834 119.070 0.130 0.000 2.936 91 H HA -0.165 4.393 4.556 0.002 0.000 0.276 91 H C 1.116 176.643 175.328 0.330 0.000 1.216 91 H CA 1.257 57.414 56.048 0.181 0.000 1.132 91 H CB -1.977 27.880 29.762 0.158 0.000 1.303 91 H HN 1.040 nan 8.280 nan 0.000 0.370 92 Q N -0.704 119.321 119.800 0.375 0.000 2.451 92 Q HA -0.047 4.294 4.340 0.003 0.000 0.206 92 Q C 0.242 176.537 176.000 0.491 0.000 0.947 92 Q CA 0.469 56.532 55.803 0.433 0.000 0.937 92 Q CB 0.038 29.028 28.738 0.420 0.000 1.025 92 Q HN 0.439 nan 8.270 nan 0.000 0.511 93 W N 0.269 121.641 121.300 0.120 0.000 5.361 93 W HA -0.230 4.432 4.660 0.002 0.000 0.385 93 W C -0.477 176.072 176.519 0.050 0.000 1.458 93 W CA 0.194 57.554 57.345 0.026 0.000 0.922 93 W CB -2.252 27.184 29.460 -0.040 0.000 2.606 93 W HN 0.388 nan 8.180 nan 0.000 1.450 94 F N 1.555 121.563 119.950 0.096 0.000 2.504 94 F HA 0.478 5.006 4.527 0.003 0.000 0.369 94 F C 1.399 177.178 175.800 -0.036 0.000 1.082 94 F CA 1.047 59.064 58.000 0.029 0.000 1.216 94 F CB 0.803 39.801 39.000 -0.003 0.000 1.108 94 F HN 0.280 nan 8.300 nan 0.000 0.554 95 G N 3.566 111.875 108.800 -0.817 0.000 2.179 95 G HA2 -0.215 3.747 3.960 0.003 0.000 0.220 95 G HA3 -0.215 3.747 3.960 0.003 0.000 0.220 95 G C 0.880 175.650 174.900 -0.217 0.000 0.990 95 G CA 0.107 44.844 45.100 -0.605 0.000 0.646 95 G HN 1.331 nan 8.290 nan 0.000 0.517 96 A N -0.426 122.349 122.820 -0.075 0.000 2.172 96 A HA 0.587 4.909 4.320 0.003 0.000 0.216 96 A C 1.377 179.037 177.584 0.128 0.000 1.154 96 A CA 2.196 54.337 52.037 0.173 0.000 0.701 96 A CB -0.097 19.050 19.000 0.246 0.000 0.789 96 A HN 2.098 nan 8.150 nan 0.000 0.465 97 S N -1.239 114.421 115.700 -0.067 0.000 2.562 97 S HA 0.536 5.007 4.470 0.003 0.000 0.274 97 S C -1.534 172.977 174.600 -0.149 0.000 1.160 97 S CA -0.426 57.710 58.200 -0.107 0.000 0.933 97 S CB 1.359 64.484 63.200 -0.125 0.000 1.100 97 S HN 0.487 nan 8.310 nan 0.000 0.468 98 V N 5.049 124.897 119.914 -0.110 0.000 2.655 98 V HA 0.694 4.816 4.120 0.003 0.000 0.301 98 V C -0.586 175.509 176.094 0.003 0.000 1.082 98 V CA -0.625 61.625 62.300 -0.084 0.000 0.899 98 V CB 1.873 33.632 31.823 -0.108 0.000 1.014 98 V HN 0.908 nan 8.190 nan 0.000 0.429 99 R N 2.301 122.853 120.500 0.087 0.000 2.673 99 R HA 0.821 5.163 4.340 0.003 0.000 0.281 99 R C -0.871 175.661 176.300 0.388 0.000 0.991 99 R CA -0.403 55.827 56.100 0.216 0.000 0.896 99 R CB 2.599 33.020 30.300 0.203 0.000 1.201 99 R HN 0.895 nan 8.270 nan 0.000 0.457 100 S N 1.004 116.905 115.700 0.335 0.000 2.569 100 S HA 0.578 5.050 4.470 0.003 0.000 0.280 100 S C -0.934 173.624 174.600 -0.070 0.000 1.111 100 S CA -0.949 57.374 58.200 0.205 0.000 0.887 100 S CB 2.977 66.346 63.200 0.281 0.000 1.095 100 S HN 0.504 nan 8.310 nan 0.000 0.476 101 K N 1.740 121.881 120.400 -0.432 0.000 2.668 101 K HA 0.295 4.617 4.320 0.003 0.000 0.246 101 K C -0.329 176.098 176.600 -0.288 0.000 0.976 101 K CA -0.237 55.766 56.287 -0.474 0.000 0.902 101 K CB 0.772 32.697 32.500 -0.959 0.000 1.172 101 K HN 1.010 nan 8.250 nan 0.000 0.452 102 Q N 1.007 120.712 119.800 -0.158 0.000 1.555 102 Q HA -0.289 4.052 4.340 0.003 0.000 0.344 102 Q C -0.017 175.938 176.000 -0.076 0.000 0.887 102 Q CA 1.778 57.501 55.803 -0.133 0.000 0.829 102 Q CB -1.017 27.649 28.738 -0.120 0.000 3.625 102 Q HN 0.712 nan 8.270 nan 0.000 0.622 103 D N 1.002 121.387 120.400 -0.025 0.000 2.347 103 D HA 0.008 4.649 4.640 0.003 0.000 0.215 103 D C -0.037 176.381 176.300 0.198 0.000 0.976 103 D CA 0.815 54.881 54.000 0.110 0.000 0.884 103 D CB 0.167 41.002 40.800 0.059 0.000 0.915 103 D HN 0.096 nan 8.370 nan 0.000 0.526 104 K N 1.388 121.828 120.400 0.068 0.000 2.205 104 K HA 0.390 4.711 4.320 0.003 0.000 0.279 104 K C 0.580 177.247 176.600 0.110 0.000 1.027 104 K CA -0.423 55.896 56.287 0.053 0.000 0.932 104 K CB 2.115 34.577 32.500 -0.063 0.000 1.032 104 K HN 0.139 nan 8.250 nan 0.000 0.466 105 I N 0.186 120.869 120.570 0.190 0.000 2.569 105 I HA 0.401 4.573 4.170 0.003 0.000 0.290 105 I C -1.327 175.010 176.117 0.367 0.000 1.088 105 I CA -1.008 60.448 61.300 0.260 0.000 1.047 105 I CB 1.803 39.878 38.000 0.124 0.000 1.237 105 I HN 0.408 nan 8.210 nan 0.000 0.421 106 L N 6.292 127.735 121.223 0.367 0.000 2.313 106 L HA 0.874 5.215 4.340 0.003 0.000 0.283 106 L C -0.404 176.501 176.870 0.059 0.000 1.013 106 L CA -0.378 54.596 54.840 0.222 0.000 0.816 106 L CB 1.643 43.762 42.059 0.101 0.000 1.236 106 L HN 0.971 nan 8.230 nan 0.000 0.419 107 A N 4.092 126.877 122.820 -0.058 0.000 2.414 107 A HA 0.764 5.086 4.320 0.003 0.000 0.306 107 A C -1.287 176.238 177.584 -0.099 0.000 1.054 107 A CA -0.430 51.431 52.037 -0.292 0.000 0.724 107 A CB 1.594 20.112 19.000 -0.805 0.000 1.267 107 A HN 0.737 nan 8.150 nan 0.000 0.418 108 c N 0.728 119.224 118.600 -0.174 0.000 2.802 108 c HA 0.841 5.413 4.570 0.003 0.000 0.307 108 c C 0.588 174.750 174.090 0.119 0.000 1.222 108 c CA -0.245 56.107 56.329 0.038 0.000 1.580 108 c CB 1.543 44.038 42.510 -0.026 0.000 2.119 108 c HN 1.175 nan 8.230 nan 0.000 0.479 109 A N 3.088 126.074 122.820 0.276 0.000 2.801 109 A HA 0.552 4.874 4.320 0.003 0.000 0.344 109 A C -1.577 176.137 177.584 0.218 0.000 1.322 109 A CA -0.948 51.282 52.037 0.322 0.000 0.913 109 A CB 0.017 19.278 19.000 0.435 0.000 1.140 109 A HN 0.715 nan 8.150 nan 0.000 0.487 110 P HA -0.072 nan 4.420 nan 0.000 0.234 110 P C 0.615 177.961 177.300 0.077 0.000 1.167 110 P CA 0.636 63.794 63.100 0.096 0.000 0.763 110 P CB 0.309 32.060 31.700 0.085 0.000 0.835 111 L N -1.695 119.609 121.223 0.135 0.000 2.769 111 L HA 0.184 4.525 4.340 0.003 0.000 0.240 111 L C 0.542 177.501 176.870 0.148 0.000 1.163 111 L CA -0.853 54.045 54.840 0.096 0.000 0.962 111 L CB -1.551 40.616 42.059 0.180 0.000 1.258 111 L HN 0.002 nan 8.230 nan 0.000 0.513 112 Y N 1.297 121.642 120.300 0.074 0.000 2.650 112 Y HA 0.065 4.617 4.550 0.002 0.000 0.331 112 Y C 0.105 176.012 175.900 0.012 0.000 1.165 112 Y CA 0.064 58.236 58.100 0.121 0.000 1.473 112 Y CB 0.138 38.657 38.460 0.099 0.000 1.224 112 Y HN 0.210 nan 8.280 nan 0.000 0.533 113 H N 5.856 124.704 119.070 -0.371 0.000 2.525 113 H HA 0.336 4.893 4.556 0.002 0.000 0.340 113 H C -1.162 173.923 175.328 -0.404 0.000 1.168 113 H CA -0.433 55.448 56.048 -0.278 0.000 1.247 113 H CB 1.025 30.770 29.762 -0.028 0.000 1.568 113 H HN 0.828 nan 8.280 nan 0.000 0.536 114 W N 4.547 125.705 121.300 -0.237 0.000 2.884 114 W HA 0.341 5.003 4.660 0.002 0.000 0.336 114 W C -1.318 175.160 176.519 -0.068 0.000 1.038 114 W CA -0.721 56.467 57.345 -0.262 0.000 1.247 114 W CB 1.197 30.495 29.460 -0.270 0.000 1.351 114 W HN 0.493 nan 8.180 nan 0.000 0.446 115 R N 3.163 123.333 120.500 -0.551 0.000 2.590 115 R HA 0.197 4.538 4.340 0.003 0.000 0.274 115 R C 0.356 175.892 176.300 -1.273 0.000 1.061 115 R CA 0.607 56.332 56.100 -0.625 0.000 1.081 115 R CB 1.071 31.052 30.300 -0.532 0.000 0.984 115 R HN 0.456 nan 8.270 nan 0.000 0.448 116 T N 2.039 116.125 114.554 -0.781 0.000 2.754 116 T HA 0.043 4.395 4.350 0.003 0.000 0.286 116 T C 0.860 175.207 174.700 -0.588 0.000 0.997 116 T CA -0.342 61.383 62.100 -0.626 0.000 0.982 116 T CB 0.580 69.301 68.868 -0.245 0.000 1.027 116 T HN 0.539 nan 8.240 nan 0.000 0.529 117 E N -0.060 119.994 120.200 -0.242 0.000 2.465 117 E HA 0.136 4.488 4.350 0.003 0.000 0.195 117 E C 0.736 177.329 176.600 -0.013 0.000 1.028 117 E CA 0.114 56.483 56.400 -0.053 0.000 0.899 117 E CB 0.179 30.007 29.700 0.214 0.000 1.032 117 E HN 0.491 nan 8.360 nan 0.000 0.468 118 M N -0.231 119.310 119.600 -0.097 0.000 3.101 118 M HA 0.106 4.588 4.480 0.003 0.000 0.236 118 M C 0.380 176.614 176.300 -0.109 0.000 1.538 118 M CA 0.662 55.934 55.300 -0.046 0.000 1.309 118 M CB 0.447 33.043 32.600 -0.006 0.000 1.141 118 M HN -0.262 nan 8.290 nan 0.000 0.579 119 K N 0.655 120.969 120.400 -0.144 0.000 2.295 119 K HA 0.369 4.691 4.320 0.003 0.000 0.239 119 K C -0.672 175.793 176.600 -0.225 0.000 0.991 119 K CA -0.648 55.554 56.287 -0.143 0.000 0.845 119 K CB 0.659 33.115 32.500 -0.074 0.000 1.197 119 K HN -0.014 nan 8.250 nan 0.000 0.441 120 Q N 2.414 122.102 119.800 -0.186 0.000 2.348 120 Q HA 0.059 4.401 4.340 0.003 0.000 0.251 120 Q C -0.691 175.233 176.000 -0.126 0.000 1.113 120 Q CA 0.644 56.334 55.803 -0.187 0.000 0.902 120 Q CB 0.397 29.058 28.738 -0.128 0.000 1.333 120 Q HN 0.389 nan 8.270 nan 0.000 0.457 121 E N 2.582 122.694 120.200 -0.146 0.000 2.370 121 E HA 0.499 4.851 4.350 0.003 0.000 0.259 121 E C -0.418 176.146 176.600 -0.060 0.000 0.947 121 E CA -0.897 55.446 56.400 -0.094 0.000 0.809 121 E CB 1.408 31.044 29.700 -0.107 0.000 1.300 121 E HN 0.317 nan 8.360 nan 0.000 0.419 122 R N 1.348 121.811 120.500 -0.062 0.000 2.687 122 R HA 0.250 4.591 4.340 0.003 0.000 0.264 122 R C -0.960 175.342 176.300 0.004 0.000 1.715 122 R CA -0.099 55.959 56.100 -0.070 0.000 1.633 122 R CB 0.773 30.906 30.300 -0.278 0.000 1.353 122 R HN 0.469 nan 8.270 nan 0.000 0.653 123 E N 2.668 122.824 120.200 -0.073 0.000 2.151 123 E HA 0.243 4.595 4.350 0.003 0.000 0.275 123 E C -2.170 174.192 176.600 -0.396 0.000 0.936 123 E CA -1.944 54.206 56.400 -0.417 0.000 0.777 123 E CB 2.002 31.463 29.700 -0.398 0.000 1.108 123 E HN 0.072 nan 8.360 nan 0.000 0.401 124 P HA -0.025 nan 4.420 nan 0.000 0.238 124 P C 0.913 177.978 177.300 -0.391 0.000 1.794 124 P CA 0.017 62.673 63.100 -0.739 0.000 1.088 124 P CB 0.100 31.384 31.700 -0.692 0.000 1.923 125 V N 0.001 119.761 119.914 -0.258 0.000 2.548 125 V HA 0.180 4.301 4.120 0.003 0.000 0.249 125 V C 1.046 177.080 176.094 -0.100 0.000 1.055 125 V CA 1.002 63.197 62.300 -0.175 0.000 1.065 125 V CB -2.013 29.704 31.823 -0.177 0.000 0.681 125 V HN 0.620 nan 8.190 nan 0.000 0.462 126 G N -0.806 108.022 108.800 0.047 0.000 2.731 126 G HA2 0.092 4.053 3.960 0.003 0.000 0.686 126 G HA3 0.092 4.053 3.960 0.003 0.000 0.686 126 G C -0.371 174.538 174.900 0.014 0.000 1.395 126 G CA 0.006 45.164 45.100 0.097 0.000 0.870 126 G HN 1.104 nan 8.290 nan 0.000 0.591 127 T N 0.251 114.736 114.554 -0.115 0.000 2.864 127 T HA 0.719 5.070 4.350 0.003 0.000 0.299 127 T C -0.155 174.375 174.700 -0.283 0.000 1.166 127 T CA 0.320 62.183 62.100 -0.395 0.000 1.007 127 T CB 1.375 69.723 68.868 -0.867 0.000 1.219 127 T HN 1.441 nan 8.240 nan 0.000 0.506 128 c N 1.442 119.807 118.600 -0.390 0.000 3.044 128 c HA 0.870 5.442 4.570 0.003 0.000 0.315 128 c C -1.463 172.345 174.090 -0.469 0.000 1.320 128 c CA -0.843 55.365 56.329 -0.201 0.000 1.582 128 c CB 1.049 43.533 42.510 -0.044 0.000 2.039 128 c HN 0.844 nan 8.230 nan 0.000 0.466 129 F N 1.245 121.210 119.950 0.024 0.000 2.547 129 F HA 0.622 5.151 4.527 0.002 0.000 0.316 129 F C -0.407 175.486 175.800 0.156 0.000 1.121 129 F CA -0.570 57.459 58.000 0.048 0.000 0.911 129 F CB 1.388 40.392 39.000 0.007 0.000 1.179 129 F HN 0.253 nan 8.300 nan 0.000 0.443 130 L N 3.845 125.251 121.223 0.305 0.000 2.287 130 L HA 0.523 4.865 4.340 0.003 0.000 0.287 130 L C -0.606 176.423 176.870 0.264 0.000 1.022 130 L CA -0.142 54.859 54.840 0.269 0.000 0.814 130 L CB 1.360 43.488 42.059 0.115 0.000 1.217 130 L HN 0.714 nan 8.230 nan 0.000 0.420 131 Q N 2.877 122.849 119.800 0.287 0.000 2.301 131 Q HA 0.492 4.834 4.340 0.003 0.000 0.267 131 Q C -1.567 174.457 176.000 0.040 0.000 1.035 131 Q CA -0.641 55.209 55.803 0.078 0.000 0.856 131 Q CB 1.646 30.280 28.738 -0.172 0.000 1.337 131 Q HN 0.607 nan 8.270 nan 0.000 0.450 132 D N 2.031 122.428 120.400 -0.005 0.000 2.319 132 D HA 0.316 4.957 4.640 0.003 0.000 0.237 132 D C 0.308 176.603 176.300 -0.008 0.000 1.353 132 D CA 0.896 54.905 54.000 0.015 0.000 0.992 132 D CB 0.577 41.395 40.800 0.030 0.000 1.368 132 D HN 0.777 nan 8.370 nan 0.000 0.564 133 G N 3.466 112.258 108.800 -0.014 0.000 2.601 133 G HA2 -0.416 3.546 3.960 0.003 0.000 0.306 133 G HA3 -0.416 3.546 3.960 0.003 0.000 0.306 133 G C 1.097 175.951 174.900 -0.077 0.000 1.172 133 G CA 1.703 46.785 45.100 -0.030 0.000 0.966 133 G HN 0.891 nan 8.290 nan 0.000 0.542 134 T N -1.290 113.230 114.554 -0.056 0.000 3.034 134 T HA 0.368 4.720 4.350 0.003 0.000 0.248 134 T C 1.169 175.835 174.700 -0.056 0.000 1.040 134 T CA 1.374 63.434 62.100 -0.067 0.000 1.107 134 T CB 0.134 68.976 68.868 -0.043 0.000 0.932 134 T HN 0.698 nan 8.240 nan 0.000 0.474 135 K N 2.788 123.169 120.400 -0.031 0.000 2.466 135 K HA 0.187 4.509 4.320 0.003 0.000 0.278 135 K C -0.969 175.613 176.600 -0.030 0.000 1.048 135 K CA 0.638 56.914 56.287 -0.018 0.000 1.088 135 K CB -0.227 32.273 32.500 0.000 0.000 0.884 135 K HN 0.233 nan 8.250 nan 0.000 0.478 136 T N 4.280 118.816 114.554 -0.030 0.000 2.921 136 T HA 0.484 4.836 4.350 0.003 0.000 0.297 136 T C -1.305 173.329 174.700 -0.110 0.000 1.013 136 T CA -0.682 61.412 62.100 -0.010 0.000 0.990 136 T CB 1.112 69.992 68.868 0.021 0.000 1.023 136 T HN 0.465 nan 8.240 nan 0.000 0.447 137 V N 0.836 120.652 119.914 -0.163 0.000 2.864 137 V HA 0.748 4.869 4.120 0.003 0.000 0.314 137 V C -0.405 175.494 176.094 -0.324 0.000 1.073 137 V CA -1.096 60.847 62.300 -0.594 0.000 0.956 137 V CB 2.038 33.537 31.823 -0.540 0.000 1.023 137 V HN 0.888 nan 8.190 nan 0.000 0.435 138 E N 1.867 121.780 120.200 -0.479 0.000 2.197 138 E HA 0.415 4.766 4.350 0.003 0.000 0.281 138 E C -2.021 174.527 176.600 -0.087 0.000 0.995 138 E CA -0.740 55.442 56.400 -0.364 0.000 0.808 138 E CB 1.444 30.943 29.700 -0.335 0.000 1.093 138 E HN 0.814 nan 8.360 nan 0.000 0.394 139 Y N 3.446 123.562 120.300 -0.306 0.000 2.376 139 Y HA 0.547 5.098 4.550 0.002 0.000 0.326 139 Y C -1.179 174.589 175.900 -0.220 0.000 0.970 139 Y CA -0.996 57.004 58.100 -0.166 0.000 1.248 139 Y CB 1.308 39.653 38.460 -0.191 0.000 1.117 139 Y HN 0.482 nan 8.280 nan 0.000 0.476 140 A N 8.964 131.508 122.820 -0.460 0.000 3.297 140 A HA 0.409 4.730 4.320 0.003 0.000 0.304 140 A C -2.136 175.177 177.584 -0.452 0.000 0.963 140 A CA -1.206 50.534 52.037 -0.495 0.000 0.935 140 A CB 0.044 18.800 19.000 -0.407 0.000 1.093 140 A HN 0.585 nan 8.150 nan 0.000 0.480 141 P HA -0.165 nan 4.420 nan 0.000 0.216 141 P C 1.428 178.582 177.300 -0.244 0.000 1.153 141 P CA 1.354 64.242 63.100 -0.353 0.000 0.858 141 P CB 0.013 31.455 31.700 -0.429 0.000 0.789 142 c N -0.888 117.539 118.600 -0.287 0.000 2.437 142 c HA 0.021 4.593 4.570 0.003 0.000 0.283 142 c C 1.921 175.854 174.090 -0.261 0.000 1.424 142 c CA -0.355 55.825 56.329 -0.248 0.000 1.782 142 c CB -1.928 40.429 42.510 -0.255 0.000 1.833 142 c HN 0.206 nan 8.230 nan 0.000 0.532 143 R N 1.707 122.005 120.500 -0.337 0.000 3.268 143 R HA 0.146 4.488 4.340 0.003 0.000 0.217 143 R C 0.251 176.339 176.300 -0.353 0.000 1.568 143 R CA 0.061 55.854 56.100 -0.511 0.000 1.322 143 R CB -0.081 29.771 30.300 -0.745 0.000 1.280 143 R HN 0.655 nan 8.270 nan 0.000 0.667 144 S N 0.975 116.564 115.700 -0.185 0.000 2.823 144 S HA 0.181 4.652 4.470 0.003 0.000 0.316 144 S C 0.545 175.165 174.600 0.033 0.000 1.116 144 S CA -0.893 57.266 58.200 -0.068 0.000 0.911 144 S CB 1.399 64.569 63.200 -0.050 0.000 1.276 144 S HN 0.438 nan 8.310 nan 0.000 0.565 145 Q N 0.391 120.222 119.800 0.052 0.000 2.415 145 Q HA 0.249 4.591 4.340 0.003 0.000 0.206 145 Q C -0.779 175.261 176.000 0.067 0.000 0.946 145 Q CA 0.323 56.176 55.803 0.084 0.000 0.951 145 Q CB -0.117 28.663 28.738 0.071 0.000 1.026 145 Q HN 0.562 nan 8.270 nan 0.000 0.510 146 D N 0.304 120.732 120.400 0.048 0.000 2.468 146 D HA 0.108 4.750 4.640 0.003 0.000 0.218 146 D C -0.437 175.882 176.300 0.031 0.000 1.155 146 D CA -0.365 53.662 54.000 0.045 0.000 0.924 146 D CB 0.278 41.111 40.800 0.055 0.000 1.029 146 D HN 0.237 nan 8.370 nan 0.000 0.515 147 I N -0.334 120.265 120.570 0.049 0.000 3.399 147 I HA 0.509 4.681 4.170 0.003 0.000 0.345 147 I C -0.391 175.757 176.117 0.051 0.000 1.512 147 I CA -0.406 60.934 61.300 0.067 0.000 1.047 147 I CB 0.329 38.392 38.000 0.105 0.000 1.552 147 I HN -0.133 nan 8.210 nan 0.000 0.494 148 D N 0.544 120.961 120.400 0.027 0.000 2.921 148 D HA 0.441 5.082 4.640 0.003 0.000 0.329 148 D C 0.963 177.273 176.300 0.017 0.000 1.293 148 D CA -0.012 54.029 54.000 0.068 0.000 0.964 148 D CB 1.581 42.412 40.800 0.051 0.000 1.435 148 D HN 0.007 nan 8.370 nan 0.000 0.548 149 A N 0.443 123.250 122.820 -0.023 0.000 1.933 149 A HA -0.183 4.139 4.320 0.003 0.000 0.218 149 A C 1.449 178.559 177.584 -0.789 0.000 1.175 149 A CA 2.364 54.152 52.037 -0.415 0.000 0.628 149 A CB -0.571 18.110 19.000 -0.532 0.000 0.814 149 A HN 0.618 nan 8.150 nan 0.000 0.444 150 D N -0.379 119.565 120.400 -0.759 0.000 2.219 150 D HA 0.062 4.703 4.640 0.003 0.000 0.205 150 D C 1.277 177.472 176.300 -0.174 0.000 0.970 150 D CA 1.274 54.845 54.000 -0.716 0.000 0.851 150 D CB -0.655 39.993 40.800 -0.252 0.000 0.943 150 D HN 0.326 nan 8.370 nan 0.000 0.488 151 G N -0.021 108.707 108.800 -0.121 0.000 3.182 151 G HA2 0.184 4.146 3.960 0.003 0.000 0.167 151 G HA3 0.184 4.146 3.960 0.003 0.000 0.167 151 G C 0.592 175.359 174.900 -0.222 0.000 1.537 151 G CA -0.294 44.803 45.100 -0.005 0.000 1.046 151 G HN 0.180 nan 8.290 nan 0.000 0.580 152 Q N 0.129 119.802 119.800 -0.213 0.000 2.188 152 Q HA 0.223 4.564 4.340 0.003 0.000 0.212 152 Q C 1.993 177.855 176.000 -0.230 0.000 0.846 152 Q CA 0.148 55.756 55.803 -0.326 0.000 0.989 152 Q CB 1.076 29.645 28.738 -0.282 0.000 1.114 152 Q HN 0.543 nan 8.270 nan 0.000 0.488 153 G N 0.656 109.368 108.800 -0.146 0.000 2.440 153 G HA2 -0.218 3.743 3.960 0.003 0.000 0.218 153 G HA3 -0.218 3.743 3.960 0.003 0.000 0.218 153 G C 0.614 175.307 174.900 -0.346 0.000 1.154 153 G CA 0.662 45.677 45.100 -0.141 0.000 0.767 153 G HN 0.296 nan 8.290 nan 0.000 0.552 154 F N -0.079 119.679 119.950 -0.321 0.000 2.837 154 F HA 0.298 4.826 4.527 0.002 0.000 0.298 154 F C 1.986 177.565 175.800 -0.370 0.000 1.161 154 F CA -1.180 56.627 58.000 -0.321 0.000 1.353 154 F CB -0.050 38.696 39.000 -0.423 0.000 0.951 154 F HN 0.184 nan 8.300 nan 0.000 0.508 155 c N 0.523 118.974 118.600 -0.248 0.000 2.429 155 c HA -0.154 4.418 4.570 0.003 0.000 0.277 155 c C 1.703 175.678 174.090 -0.192 0.000 1.262 155 c CA 1.185 57.350 56.329 -0.273 0.000 1.733 155 c CB -0.863 41.474 42.510 -0.289 0.000 2.010 155 c HN 0.710 nan 8.230 nan 0.000 0.483 156 Q N -0.071 119.638 119.800 -0.151 0.000 2.463 156 Q HA -0.162 4.179 4.340 0.003 0.000 0.299 156 Q C 0.385 176.354 176.000 -0.052 0.000 1.353 156 Q CA 0.319 56.074 55.803 -0.080 0.000 0.828 156 Q CB -2.134 26.578 28.738 -0.043 0.000 1.157 156 Q HN 0.903 nan 8.270 nan 0.000 0.436 157 G N -0.607 108.129 108.800 -0.107 0.000 2.340 157 G HA2 0.349 4.310 3.960 0.003 0.000 0.245 157 G HA3 0.349 4.310 3.960 0.003 0.000 0.245 157 G C 1.111 175.965 174.900 -0.078 0.000 1.294 157 G CA 0.537 45.566 45.100 -0.119 0.000 0.896 157 G HN 0.920 nan 8.290 nan 0.000 0.522 158 G N 1.539 110.310 108.800 -0.049 0.000 2.179 158 G HA2 -0.282 3.680 3.960 0.003 0.000 0.220 158 G HA3 -0.282 3.680 3.960 0.003 0.000 0.220 158 G C 1.003 175.902 174.900 -0.002 0.000 0.990 158 G CA 0.647 45.725 45.100 -0.036 0.000 0.646 158 G HN 0.780 nan 8.290 nan 0.000 0.517 159 F N 2.600 122.479 119.950 -0.120 0.000 2.154 159 F HA 0.164 4.692 4.527 0.002 0.000 0.301 159 F C 1.537 177.249 175.800 -0.146 0.000 1.087 159 F CA 2.372 60.282 58.000 -0.149 0.000 1.274 159 F CB 0.194 39.069 39.000 -0.210 0.000 1.009 159 F HN 0.598 nan 8.300 nan 0.000 0.485 160 S N -0.303 115.426 115.700 0.050 0.000 2.536 160 S HA 0.668 5.140 4.470 0.003 0.000 0.271 160 S C -0.844 173.735 174.600 -0.036 0.000 1.134 160 S CA -0.699 57.487 58.200 -0.024 0.000 0.897 160 S CB 1.939 65.161 63.200 0.037 0.000 1.094 160 S HN 0.268 nan 8.310 nan 0.000 0.473 161 I N -1.248 119.283 120.570 -0.064 0.000 3.191 161 I HA 0.938 5.109 4.170 0.003 0.000 0.313 161 I C -1.684 174.381 176.117 -0.088 0.000 1.193 161 I CA -0.810 60.432 61.300 -0.098 0.000 0.968 161 I CB 2.377 40.295 38.000 -0.138 0.000 1.262 161 I HN 0.601 nan 8.210 nan 0.000 0.456 162 D N 0.951 121.263 120.400 -0.147 0.000 2.745 162 D HA 0.485 5.126 4.640 0.003 0.000 0.221 162 D C -1.773 174.434 176.300 -0.155 0.000 1.237 162 D CA -0.216 53.745 54.000 -0.065 0.000 0.781 162 D CB 2.037 42.865 40.800 0.047 0.000 1.575 162 D HN 0.408 nan 8.370 nan 0.000 0.482 163 F N 0.899 120.884 119.950 0.058 0.000 2.385 163 F HA 0.423 4.951 4.527 0.002 0.000 0.336 163 F C 1.397 177.251 175.800 0.089 0.000 1.100 163 F CA -0.322 57.714 58.000 0.059 0.000 1.116 163 F CB 1.585 40.613 39.000 0.047 0.000 1.166 163 F HN 0.103 nan 8.300 nan 0.000 0.511 164 T N -0.183 114.548 114.554 0.295 0.000 2.934 164 T HA 0.313 4.665 4.350 0.003 0.000 0.283 164 T C -0.214 174.589 174.700 0.171 0.000 1.005 164 T CA -1.136 61.099 62.100 0.225 0.000 1.041 164 T CB 1.393 70.397 68.868 0.228 0.000 1.042 164 T HN 0.597 nan 8.240 nan 0.000 0.505 165 K N 0.914 121.383 120.400 0.115 0.000 2.440 165 K HA 0.388 4.709 4.320 0.003 0.000 0.270 165 K C 0.819 177.462 176.600 0.071 0.000 0.980 165 K CA 0.455 56.783 56.287 0.070 0.000 0.953 165 K CB -0.328 32.196 32.500 0.040 0.000 0.925 165 K HN 1.194 nan 8.250 nan 0.000 0.497 166 A N 2.084 124.933 122.820 0.049 0.000 5.939 166 A HA -0.231 4.090 4.320 0.003 0.000 0.250 166 A C -0.652 176.974 177.584 0.070 0.000 2.234 166 A CA 0.889 52.957 52.037 0.051 0.000 0.707 166 A CB -1.412 17.623 19.000 0.059 0.000 1.007 166 A HN 0.857 nan 8.150 nan 0.000 0.351 167 D N -0.356 120.095 120.400 0.085 0.000 2.478 167 D HA 0.611 5.252 4.640 0.003 0.000 0.240 167 D C -0.566 175.816 176.300 0.136 0.000 1.364 167 D CA 0.456 54.528 54.000 0.120 0.000 0.987 167 D CB 0.627 41.469 40.800 0.071 0.000 1.328 167 D HN 0.936 nan 8.370 nan 0.000 0.584 168 R N 2.615 123.229 120.500 0.189 0.000 2.633 168 R HA 0.484 4.825 4.340 0.003 0.000 0.255 168 R C -2.074 174.253 176.300 0.046 0.000 1.106 168 R CA -0.701 55.459 56.100 0.101 0.000 0.959 168 R CB 0.919 31.290 30.300 0.119 0.000 1.259 168 R HN 0.091 nan 8.270 nan 0.000 0.453 169 V N 5.123 124.956 119.914 -0.136 0.000 2.465 169 V HA 0.375 4.497 4.120 0.003 0.000 0.279 169 V C 0.194 176.146 176.094 -0.236 0.000 1.045 169 V CA -0.702 61.411 62.300 -0.312 0.000 0.938 169 V CB 1.463 33.007 31.823 -0.466 0.000 0.986 169 V HN 0.644 nan 8.190 nan 0.000 0.467 170 L N 5.904 126.984 121.223 -0.237 0.000 2.295 170 L HA 0.656 4.997 4.340 0.003 0.000 0.285 170 L C -0.840 175.908 176.870 -0.202 0.000 1.035 170 L CA -0.491 54.172 54.840 -0.296 0.000 0.806 170 L CB 1.449 43.364 42.059 -0.239 0.000 1.214 170 L HN 0.593 nan 8.230 nan 0.000 0.426 171 L N 3.888 125.004 121.223 -0.178 0.000 2.408 171 L HA 0.705 5.046 4.340 0.003 0.000 0.268 171 L C -0.268 176.547 176.870 -0.091 0.000 0.986 171 L CA -0.332 54.445 54.840 -0.105 0.000 0.820 171 L CB 1.962 43.986 42.059 -0.059 0.000 1.303 171 L HN 0.622 nan 8.230 nan 0.000 0.411 172 G N 2.042 110.815 108.800 -0.045 0.000 2.335 172 G HA2 0.538 4.499 3.960 0.003 0.000 0.314 172 G HA3 0.538 4.499 3.960 0.003 0.000 0.314 172 G C -0.362 174.523 174.900 -0.025 0.000 1.129 172 G CA -0.324 44.771 45.100 -0.009 0.000 0.912 172 G HN 0.839 nan 8.290 nan 0.000 0.443 173 G N 3.153 111.913 108.800 -0.067 0.000 3.302 173 G HA2 0.539 4.501 3.960 0.003 0.000 0.338 173 G HA3 0.539 4.501 3.960 0.003 0.000 0.338 173 G C -1.383 173.436 174.900 -0.135 0.000 1.405 173 G CA -1.262 43.765 45.100 -0.122 0.000 1.090 173 G HN 0.367 nan 8.290 nan 0.000 0.482 174 P HA 0.029 nan 4.420 nan 0.000 0.242 174 P C 1.342 178.621 177.300 -0.036 0.000 1.197 174 P CA 0.656 63.682 63.100 -0.125 0.000 0.765 174 P CB 0.659 32.112 31.700 -0.412 0.000 0.936 175 G N -0.818 107.882 108.800 -0.167 0.000 3.044 175 G HA2 0.041 4.002 3.960 0.003 0.000 0.223 175 G HA3 0.041 4.002 3.960 0.003 0.000 0.223 175 G C 0.390 174.952 174.900 -0.562 0.000 1.123 175 G CA 0.082 44.958 45.100 -0.374 0.000 0.765 175 G HN 0.155 nan 8.290 nan 0.000 0.546 176 S N 0.522 115.952 115.700 -0.451 0.000 2.560 176 S HA 0.293 4.764 4.470 0.003 0.000 0.284 176 S C 0.092 174.346 174.600 -0.578 0.000 1.327 176 S CA -0.134 57.623 58.200 -0.738 0.000 1.055 176 S CB -0.161 62.433 63.200 -1.011 0.000 0.868 176 S HN 0.502 nan 8.310 nan 0.000 0.506 177 F N 0.876 120.703 119.950 -0.205 0.000 2.797 177 F HA -0.233 4.296 4.527 0.003 0.000 0.273 177 F C 0.194 175.988 175.800 -0.010 0.000 1.020 177 F CA -0.018 57.901 58.000 -0.136 0.000 0.961 177 F CB -2.351 36.645 39.000 -0.006 0.000 1.020 177 F HN 0.761 nan 8.300 nan 0.000 0.840 178 Y N -1.205 119.083 120.300 -0.020 0.000 3.168 178 Y HA -0.329 4.223 4.550 0.002 0.000 0.207 178 Y C 1.029 177.153 175.900 0.374 0.000 1.280 178 Y CA 1.017 59.178 58.100 0.102 0.000 1.235 178 Y CB -1.500 37.100 38.460 0.234 0.000 1.370 178 Y HN 0.682 nan 8.280 nan 0.000 0.537 179 W N -1.863 119.575 121.300 0.230 0.000 3.834 179 W HA -0.372 4.290 4.660 0.003 0.000 0.320 179 W C 1.517 178.214 176.519 0.297 0.000 1.201 179 W CA 1.315 58.823 57.345 0.272 0.000 0.701 179 W CB -1.755 27.923 29.460 0.363 0.000 2.264 179 W HN 0.527 nan 8.180 nan 0.000 1.413 180 Q N 0.222 120.268 119.800 0.410 0.000 2.084 180 Q HA 0.133 4.474 4.340 0.003 0.000 0.202 180 Q C 1.608 177.807 176.000 0.332 0.000 0.978 180 Q CA 1.869 57.901 55.803 0.382 0.000 0.844 180 Q CB -0.208 28.773 28.738 0.406 0.000 0.898 180 Q HN 0.357 nan 8.270 nan 0.000 0.426 181 G N 0.173 109.117 108.800 0.239 0.000 2.612 181 G HA2 -0.168 3.793 3.960 0.003 0.000 0.686 181 G HA3 -0.168 3.793 3.960 0.003 0.000 0.686 181 G C -1.333 173.637 174.900 0.117 0.000 1.274 181 G CA -0.375 44.814 45.100 0.148 0.000 0.849 181 G HN 0.173 nan 8.290 nan 0.000 0.595 182 Q N -1.155 118.667 119.800 0.036 0.000 2.386 182 Q HA 0.625 4.966 4.340 0.003 0.000 0.274 182 Q C -1.714 174.278 176.000 -0.013 0.000 1.011 182 Q CA -0.971 54.845 55.803 0.022 0.000 0.867 182 Q CB 1.778 30.459 28.738 -0.095 0.000 1.409 182 Q HN 0.682 nan 8.270 nan 0.000 0.395 183 L N 3.868 125.067 121.223 -0.041 0.000 2.317 183 L HA 0.630 4.971 4.340 0.003 0.000 0.281 183 L C -0.793 175.986 176.870 -0.152 0.000 1.024 183 L CA -0.177 54.596 54.840 -0.111 0.000 0.810 183 L CB 1.718 43.692 42.059 -0.142 0.000 1.240 183 L HN 0.578 nan 8.230 nan 0.000 0.427 184 I N 1.333 121.802 120.570 -0.168 0.000 2.569 184 I HA 0.479 4.651 4.170 0.003 0.000 0.290 184 I C -0.479 175.526 176.117 -0.187 0.000 1.088 184 I CA -0.438 60.778 61.300 -0.139 0.000 1.047 184 I CB 2.256 40.209 38.000 -0.078 0.000 1.237 184 I HN 0.492 nan 8.210 nan 0.000 0.421 185 S N 4.143 119.733 115.700 -0.183 0.000 2.521 185 S HA 0.597 5.068 4.470 0.003 0.000 0.295 185 S C -1.501 173.053 174.600 -0.075 0.000 1.098 185 S CA -0.522 57.557 58.200 -0.202 0.000 0.999 185 S CB 1.451 64.435 63.200 -0.359 0.000 1.034 185 S HN 0.582 nan 8.310 nan 0.000 0.483 186 D N 2.224 122.551 120.400 -0.123 0.000 2.756 186 D HA 0.250 4.892 4.640 0.003 0.000 0.226 186 D C -1.017 175.183 176.300 -0.167 0.000 1.186 186 D CA -0.434 53.467 54.000 -0.166 0.000 0.845 186 D CB 1.918 42.496 40.800 -0.370 0.000 1.610 186 D HN 0.575 nan 8.370 nan 0.000 0.465 187 Q N 0.948 120.688 119.800 -0.100 0.000 2.286 187 Q HA 0.133 4.475 4.340 0.003 0.000 0.267 187 Q C 1.409 177.342 176.000 -0.111 0.000 1.028 187 Q CA -0.299 55.471 55.803 -0.055 0.000 0.901 187 Q CB 1.608 30.346 28.738 0.000 0.000 1.183 187 Q HN 0.236 nan 8.270 nan 0.000 0.392 188 V N 2.760 122.638 119.914 -0.061 0.000 2.317 188 V HA -0.381 3.741 4.120 0.003 0.000 0.251 188 V C 2.032 178.104 176.094 -0.036 0.000 1.065 188 V CA 2.397 64.668 62.300 -0.048 0.000 1.049 188 V CB -0.935 30.933 31.823 0.076 0.000 0.651 188 V HN 0.990 nan 8.190 nan 0.000 0.450 189 A N -0.416 122.403 122.820 -0.002 0.000 1.917 189 A HA -0.309 4.012 4.320 0.003 0.000 0.219 189 A C 2.194 179.795 177.584 0.029 0.000 1.182 189 A CA 2.293 54.341 52.037 0.018 0.000 0.633 189 A CB -0.539 18.476 19.000 0.026 0.000 0.819 189 A HN 0.576 nan 8.150 nan 0.000 0.448 190 E N -0.291 119.921 120.200 0.019 0.000 2.047 190 E HA -0.129 4.222 4.350 0.003 0.000 0.191 190 E C 1.676 178.355 176.600 0.132 0.000 0.987 190 E CA 1.261 57.712 56.400 0.085 0.000 0.799 190 E CB -0.325 29.425 29.700 0.082 0.000 0.752 190 E HN 0.584 nan 8.360 nan 0.000 0.449 191 I N 0.059 120.579 120.570 -0.084 0.000 2.127 191 I HA -0.293 3.878 4.170 0.003 0.000 0.241 191 I C 2.477 178.674 176.117 0.135 0.000 1.075 191 I CA 1.501 62.736 61.300 -0.108 0.000 1.334 191 I CB -0.768 36.984 38.000 -0.414 0.000 1.040 191 I HN 0.186 nan 8.210 nan 0.000 0.405 192 V N -2.278 117.673 119.914 0.062 0.000 2.358 192 V HA -0.231 3.891 4.120 0.003 0.000 0.246 192 V C 2.436 178.622 176.094 0.155 0.000 1.047 192 V CA 2.092 64.448 62.300 0.094 0.000 1.035 192 V CB -1.087 30.765 31.823 0.049 0.000 0.658 192 V HN 0.485 nan 8.190 nan 0.000 0.452 193 S N 0.518 116.297 115.700 0.131 0.000 2.348 193 S HA -0.213 4.259 4.470 0.003 0.000 0.221 193 S C 2.025 176.706 174.600 0.136 0.000 1.033 193 S CA 1.967 60.238 58.200 0.117 0.000 1.010 193 S CB -0.466 62.790 63.200 0.093 0.000 0.891 193 S HN 0.732 nan 8.310 nan 0.000 0.442 194 K N -0.106 120.402 120.400 0.179 0.000 2.444 194 K HA 0.099 4.420 4.320 0.003 0.000 0.193 194 K C -0.121 176.548 176.600 0.115 0.000 1.024 194 K CA -0.307 56.049 56.287 0.115 0.000 1.077 194 K CB -0.033 32.514 32.500 0.078 0.000 0.833 194 K HN 0.597 nan 8.250 nan 0.000 0.517 195 Y N 2.168 122.527 120.300 0.098 0.000 2.620 195 Y HA -0.096 4.455 4.550 0.003 0.000 0.330 195 Y C -0.316 175.597 175.900 0.022 0.000 1.186 195 Y CA 0.258 58.406 58.100 0.080 0.000 1.467 195 Y CB 0.423 38.942 38.460 0.098 0.000 1.262 195 Y HN -0.032 nan 8.280 nan 0.000 0.550 196 D N 8.587 128.510 120.400 -0.794 0.000 2.736 196 D HA 0.223 4.864 4.640 0.003 0.000 0.243 196 D C -2.231 173.573 176.300 -0.826 0.000 1.304 196 D CA -2.180 51.422 54.000 -0.663 0.000 0.934 196 D CB 2.150 42.749 40.800 -0.335 0.000 1.382 196 D HN 0.313 nan 8.370 nan 0.000 0.571 197 P HA -0.013 nan 4.420 nan 0.000 0.229 197 P C 0.468 177.602 177.300 -0.276 0.000 1.160 197 P CA 0.377 63.258 63.100 -0.366 0.000 0.777 197 P CB 0.555 32.196 31.700 -0.097 0.000 0.814 198 N N -0.210 118.308 118.700 -0.303 0.000 2.398 198 N HA 0.059 4.800 4.740 0.003 0.000 0.188 198 N C -0.028 175.211 175.510 -0.452 0.000 1.122 198 N CA 0.340 53.196 53.050 -0.323 0.000 0.866 198 N CB 0.496 38.859 38.487 -0.208 0.000 0.970 198 N HN 0.092 nan 8.380 nan 0.000 0.462 199 V N 1.465 121.105 119.914 -0.457 0.000 2.483 199 V HA 0.205 4.326 4.120 0.003 0.000 0.297 199 V C -0.078 175.808 176.094 -0.348 0.000 1.027 199 V CA -0.672 61.388 62.300 -0.401 0.000 0.855 199 V CB 1.345 33.014 31.823 -0.257 0.000 0.995 199 V HN 0.030 nan 8.190 nan 0.000 0.424 200 Y N 1.258 121.537 120.300 -0.034 0.000 2.517 200 Y HA 0.163 4.715 4.550 0.003 0.000 0.281 200 Y C 1.403 177.206 175.900 -0.161 0.000 1.125 200 Y CA -0.089 57.970 58.100 -0.067 0.000 1.283 200 Y CB 0.374 38.873 38.460 0.065 0.000 1.042 200 Y HN 0.515 nan 8.280 nan 0.000 0.547 201 S N 0.864 116.559 115.700 -0.009 0.000 2.130 201 S HA 0.392 4.864 4.470 0.003 0.000 0.165 201 S C -0.270 174.255 174.600 -0.127 0.000 1.677 201 S CA -0.517 57.641 58.200 -0.070 0.000 1.227 201 S CB -0.310 62.880 63.200 -0.017 0.000 1.115 201 S HN 0.058 nan 8.310 nan 0.000 0.452 202 I N 2.398 122.853 120.570 -0.191 0.000 2.474 202 I HA 0.203 4.375 4.170 0.003 0.000 0.287 202 I C 0.335 176.159 176.117 -0.489 0.000 1.048 202 I CA -0.127 60.962 61.300 -0.352 0.000 1.383 202 I CB 0.738 38.473 38.000 -0.442 0.000 1.412 202 I HN 0.163 nan 8.210 nan 0.000 0.531 203 K N 6.615 126.766 120.400 -0.414 0.000 2.347 203 K HA 0.370 4.691 4.320 0.003 0.000 0.262 203 K C -1.269 175.158 176.600 -0.289 0.000 1.052 203 K CA -0.432 55.688 56.287 -0.278 0.000 0.946 203 K CB 0.735 33.161 32.500 -0.124 0.000 1.220 203 K HN 0.305 nan 8.250 nan 0.000 0.450 204 Y N 0.980 121.305 120.300 0.041 0.000 2.304 204 Y HA 0.027 4.578 4.550 0.003 0.000 0.327 204 Y C 1.660 177.580 175.900 0.033 0.000 1.209 204 Y CA -0.091 58.036 58.100 0.045 0.000 1.299 204 Y CB 0.611 39.112 38.460 0.068 0.000 1.249 204 Y HN 0.614 nan 8.280 nan 0.000 0.519 205 N N 1.185 119.990 118.700 0.176 0.000 2.220 205 N HA -0.119 4.622 4.740 0.003 0.000 0.182 205 N C -0.213 175.352 175.510 0.091 0.000 1.023 205 N CA 0.699 53.807 53.050 0.097 0.000 0.856 205 N CB 0.032 38.563 38.487 0.073 0.000 0.997 205 N HN 0.710 nan 8.380 nan 0.000 0.429 206 N N 0.897 119.657 118.700 0.099 0.000 2.558 206 N HA 0.059 4.800 4.740 0.003 0.000 0.281 206 N C -0.891 174.670 175.510 0.085 0.000 1.219 206 N CA -0.147 52.951 53.050 0.080 0.000 0.942 206 N CB 0.837 39.364 38.487 0.067 0.000 1.241 206 N HN 0.279 nan 8.380 nan 0.000 0.511 207 Q N 0.906 120.768 119.800 0.103 0.000 2.332 207 Q HA 0.227 4.569 4.340 0.003 0.000 0.263 207 Q C -1.085 174.959 176.000 0.073 0.000 0.979 207 Q CA -0.192 55.669 55.803 0.097 0.000 0.885 207 Q CB 0.568 29.391 28.738 0.142 0.000 1.218 207 Q HN 0.153 nan 8.270 nan 0.000 0.405 208 L N 2.824 124.082 121.223 0.059 0.000 2.341 208 L HA 0.771 5.112 4.340 0.003 0.000 0.278 208 L C -0.907 175.964 176.870 0.002 0.000 1.005 208 L CA -0.181 54.693 54.840 0.057 0.000 0.818 208 L CB 1.664 43.801 42.059 0.131 0.000 1.259 208 L HN 0.736 nan 8.230 nan 0.000 0.418 209 A N 0.821 123.634 122.820 -0.011 0.000 2.517 209 A HA 0.688 5.009 4.320 0.003 0.000 0.297 209 A C -0.294 177.249 177.584 -0.068 0.000 1.050 209 A CA -0.509 51.504 52.037 -0.042 0.000 0.694 209 A CB 1.173 20.177 19.000 0.007 0.000 1.277 209 A HN 0.680 nan 8.150 nan 0.000 0.400 210 T N 0.475 114.954 114.554 -0.125 0.000 2.926 210 T HA 0.539 4.890 4.350 0.003 0.000 0.307 210 T C 0.268 174.970 174.700 0.004 0.000 1.059 210 T CA -0.045 61.972 62.100 -0.138 0.000 1.122 210 T CB 0.312 69.064 68.868 -0.194 0.000 0.972 210 T HN 0.677 nan 8.240 nan 0.000 0.545 211 R N 0.516 120.972 120.500 -0.073 0.000 2.674 211 R HA 0.576 4.917 4.340 0.003 0.000 0.266 211 R C 0.708 176.755 176.300 -0.422 0.000 1.016 211 R CA -0.764 55.219 56.100 -0.196 0.000 1.062 211 R CB 0.748 30.941 30.300 -0.178 0.000 1.142 211 R HN 0.804 nan 8.270 nan 0.000 0.517 212 T N 0.025 113.978 114.554 -1.002 0.000 2.906 212 T HA 0.370 4.722 4.350 0.003 0.000 0.320 212 T C -0.210 174.270 174.700 -0.367 0.000 1.088 212 T CA 0.281 61.766 62.100 -1.025 0.000 1.120 212 T CB 0.347 68.564 68.868 -1.086 0.000 1.000 212 T HN 0.602 nan 8.240 nan 0.000 0.550 213 A N 3.363 126.083 122.820 -0.165 0.000 2.539 213 A HA 0.735 5.056 4.320 0.003 0.000 0.272 213 A C -0.525 177.133 177.584 0.123 0.000 1.286 213 A CA -0.826 51.174 52.037 -0.062 0.000 0.792 213 A CB 0.707 19.579 19.000 -0.215 0.000 1.355 213 A HN 0.739 nan 8.150 nan 0.000 0.472 214 Q N -0.787 119.183 119.800 0.283 0.000 2.535 214 Q HA 0.482 4.823 4.340 0.003 0.000 0.228 214 Q C 1.124 177.311 176.000 0.312 0.000 1.062 214 Q CA 0.656 56.635 55.803 0.293 0.000 0.967 214 Q CB 0.456 29.375 28.738 0.301 0.000 1.273 214 Q HN 0.870 nan 8.270 nan 0.000 0.554 215 A N 1.471 124.389 122.820 0.162 0.000 2.119 215 A HA -0.089 4.232 4.320 0.003 0.000 0.216 215 A C 1.526 179.139 177.584 0.049 0.000 1.152 215 A CA 0.798 52.902 52.037 0.112 0.000 0.708 215 A CB -0.719 18.300 19.000 0.032 0.000 0.805 215 A HN 0.748 nan 8.150 nan 0.000 0.460 216 I N -3.055 117.485 120.570 -0.050 0.000 2.335 216 I HA -0.182 3.989 4.170 0.003 0.000 0.251 216 I C 1.595 177.585 176.117 -0.212 0.000 1.129 216 I CA 1.559 62.732 61.300 -0.212 0.000 1.402 216 I CB -1.585 36.163 38.000 -0.419 0.000 1.069 216 I HN 0.216 nan 8.210 nan 0.000 0.424 217 F N 1.861 121.860 119.950 0.082 0.000 2.802 217 F HA 0.100 4.628 4.527 0.002 0.000 0.300 217 F C 0.863 176.751 175.800 0.145 0.000 1.168 217 F CA -0.214 57.857 58.000 0.118 0.000 1.433 217 F CB -0.809 38.277 39.000 0.143 0.000 1.115 217 F HN 0.033 nan 8.300 nan 0.000 0.582 218 D N 0.726 121.283 120.400 0.263 0.000 2.378 218 D HA -0.061 4.581 4.640 0.003 0.000 0.238 218 D C 0.432 176.857 176.300 0.209 0.000 1.180 218 D CA 0.462 54.631 54.000 0.282 0.000 0.895 218 D CB 0.206 41.146 40.800 0.234 0.000 1.192 218 D HN 0.118 nan 8.370 nan 0.000 0.438 219 D N 0.411 120.984 120.400 0.288 0.000 2.697 219 D HA -0.149 4.493 4.640 0.003 0.000 0.238 219 D C 0.117 176.345 176.300 -0.119 0.000 1.152 219 D CA 0.519 54.581 54.000 0.103 0.000 0.666 219 D CB -1.044 39.734 40.800 -0.035 0.000 1.037 219 D HN 0.173 nan 8.370 nan 0.000 0.423 220 S N -1.638 114.092 115.700 0.050 0.000 2.514 220 S HA 0.052 4.523 4.470 0.003 0.000 0.223 220 S C 0.638 175.267 174.600 0.048 0.000 1.046 220 S CA -0.281 57.920 58.200 0.001 0.000 0.914 220 S CB 0.404 63.706 63.200 0.171 0.000 0.807 220 S HN 0.552 nan 8.310 nan 0.000 0.497 221 Y N 0.684 121.078 120.300 0.156 0.000 3.233 221 Y HA -0.173 4.378 4.550 0.002 0.000 0.201 221 Y C 0.017 175.982 175.900 0.108 0.000 1.486 221 Y CA -0.816 57.369 58.100 0.142 0.000 1.326 221 Y CB -1.707 36.854 38.460 0.167 0.000 1.460 221 Y HN 0.253 nan 8.280 nan 0.000 0.512 222 L N 1.437 122.817 121.223 0.262 0.000 2.490 222 L HA 0.423 4.764 4.340 0.003 0.000 0.274 222 L C 1.190 178.161 176.870 0.168 0.000 1.201 222 L CA 1.758 56.724 54.840 0.211 0.000 0.869 222 L CB 0.972 43.204 42.059 0.288 0.000 1.123 222 L HN 0.534 nan 8.230 nan 0.000 0.484 223 G N 3.048 111.945 108.800 0.161 0.000 2.136 223 G HA2 -0.394 3.568 3.960 0.003 0.000 0.242 223 G HA3 -0.394 3.568 3.960 0.003 0.000 0.242 223 G C 0.645 175.622 174.900 0.129 0.000 0.989 223 G CA 0.689 45.861 45.100 0.119 0.000 0.682 223 G HN 0.883 nan 8.290 nan 0.000 0.522 224 Y N 1.727 122.044 120.300 0.029 0.000 2.128 224 Y HA 0.118 4.669 4.550 0.002 0.000 0.284 224 Y C 1.942 177.960 175.900 0.196 0.000 1.154 224 Y CA 2.460 60.591 58.100 0.052 0.000 1.149 224 Y CB 0.139 38.645 38.460 0.077 0.000 0.976 224 Y HN 0.735 nan 8.280 nan 0.000 0.505 225 S N -1.084 114.796 115.700 0.300 0.000 2.671 225 S HA 0.713 5.185 4.470 0.003 0.000 0.299 225 S C -1.216 173.446 174.600 0.103 0.000 1.116 225 S CA -0.617 57.668 58.200 0.142 0.000 0.912 225 S CB 2.103 65.357 63.200 0.090 0.000 1.130 225 S HN 0.014 nan 8.310 nan 0.000 0.501 226 V N -0.220 119.734 119.914 0.066 0.000 3.147 226 V HA 0.885 5.006 4.120 0.003 0.000 0.299 226 V C -1.164 174.984 176.094 0.090 0.000 1.302 226 V CA 0.172 62.524 62.300 0.086 0.000 1.015 226 V CB 1.961 33.823 31.823 0.066 0.000 1.086 226 V HN 1.722 nan 8.190 nan 0.000 0.437 227 A N 3.202 126.109 122.820 0.145 0.000 2.604 227 A HA 0.918 5.240 4.320 0.003 0.000 0.295 227 A C -1.328 176.410 177.584 0.256 0.000 1.067 227 A CA -0.012 52.127 52.037 0.170 0.000 0.683 227 A CB 1.964 21.058 19.000 0.156 0.000 1.281 227 A HN 1.949 nan 8.150 nan 0.000 0.407 228 V N -1.345 118.720 119.914 0.252 0.000 2.823 228 V HA 1.061 5.183 4.120 0.003 0.000 0.312 228 V C 0.028 176.265 176.094 0.238 0.000 1.072 228 V CA 0.010 62.485 62.300 0.293 0.000 0.937 228 V CB 1.277 33.266 31.823 0.276 0.000 1.013 228 V HN 2.503 nan 8.190 nan 0.000 0.430 229 G N 1.259 110.185 108.800 0.211 0.000 2.404 229 G HA2 0.414 4.375 3.960 0.003 0.000 0.298 229 G HA3 0.414 4.375 3.960 0.003 0.000 0.298 229 G C -2.220 172.544 174.900 -0.228 0.000 1.577 229 G CA -0.606 44.484 45.100 -0.017 0.000 0.847 229 G HN 0.959 nan 8.290 nan 0.000 0.598 230 D N -0.237 119.941 120.400 -0.369 0.000 2.277 230 D HA 0.641 5.282 4.640 0.003 0.000 0.249 230 D C 0.138 176.125 176.300 -0.521 0.000 1.134 230 D CA -0.344 53.496 54.000 -0.266 0.000 0.863 230 D CB 0.896 41.625 40.800 -0.118 0.000 1.143 230 D HN 0.117 nan 8.370 nan 0.000 0.458 231 F N 0.903 120.948 119.950 0.158 0.000 2.671 231 F HA 0.092 4.621 4.527 0.002 0.000 0.303 231 F C 0.923 176.832 175.800 0.182 0.000 0.935 231 F CA -0.612 57.512 58.000 0.206 0.000 1.136 231 F CB -0.287 38.914 39.000 0.337 0.000 0.929 231 F HN 0.280 nan 8.300 nan 0.000 0.659 232 N N 1.864 120.747 118.700 0.305 0.000 2.549 232 N HA 0.251 4.993 4.740 0.003 0.000 0.267 232 N C 0.958 176.538 175.510 0.117 0.000 1.182 232 N CA 0.850 54.005 53.050 0.174 0.000 1.019 232 N CB -0.242 38.307 38.487 0.102 0.000 1.380 232 N HN 0.465 nan 8.380 nan 0.000 0.505 233 G N 2.742 111.613 108.800 0.118 0.000 2.702 233 G HA2 -0.360 3.602 3.960 0.003 0.000 0.342 233 G HA3 -0.360 3.602 3.960 0.003 0.000 0.342 233 G C -0.420 174.544 174.900 0.107 0.000 1.258 233 G CA 1.186 46.351 45.100 0.109 0.000 0.990 233 G HN 0.606 nan 8.290 nan 0.000 0.548 234 D N 0.589 121.031 120.400 0.070 0.000 2.494 234 D HA 0.632 5.273 4.640 0.003 0.000 0.259 234 D C 0.956 177.272 176.300 0.025 0.000 1.109 234 D CA 1.299 55.325 54.000 0.042 0.000 1.040 234 D CB 0.903 41.720 40.800 0.029 0.000 1.175 234 D HN 1.671 nan 8.370 nan 0.000 0.584 235 G N -0.479 108.327 108.800 0.010 0.000 2.715 235 G HA2 -0.151 3.811 3.960 0.003 0.000 0.221 235 G HA3 -0.151 3.811 3.960 0.003 0.000 0.221 235 G C -0.863 174.036 174.900 -0.002 0.000 1.204 235 G CA -0.167 44.936 45.100 0.005 0.000 1.063 235 G HN 0.521 nan 8.290 nan 0.000 0.586 236 I N 2.365 122.932 120.570 -0.005 0.000 2.488 236 I HA 0.580 4.751 4.170 0.003 0.000 0.299 236 I C -0.203 175.897 176.117 -0.029 0.000 0.984 236 I CA -1.277 60.016 61.300 -0.011 0.000 1.250 236 I CB 1.123 39.118 38.000 -0.010 0.000 1.389 236 I HN 0.485 nan 8.210 nan 0.000 0.488 237 D N 5.839 126.231 120.400 -0.014 0.000 2.658 237 D HA -0.016 4.626 4.640 0.003 0.000 0.230 237 D C -0.525 175.711 176.300 -0.107 0.000 1.118 237 D CA 0.838 54.835 54.000 -0.005 0.000 0.848 237 D CB 0.133 40.975 40.800 0.071 0.000 1.160 237 D HN 0.369 nan 8.370 nan 0.000 0.497 238 D N 1.355 121.726 120.400 -0.049 0.000 2.385 238 D HA 0.327 4.969 4.640 0.003 0.000 0.254 238 D C 0.095 176.409 176.300 0.023 0.000 1.053 238 D CA -0.461 53.428 54.000 -0.185 0.000 0.992 238 D CB 0.650 41.520 40.800 0.118 0.000 1.145 238 D HN 0.242 nan 8.370 nan 0.000 0.523 239 F N 0.317 120.452 119.950 0.308 0.000 2.404 239 F HA 0.335 4.864 4.527 0.002 0.000 0.354 239 F C 0.302 176.280 175.800 0.297 0.000 1.122 239 F CA -0.987 57.185 58.000 0.287 0.000 1.080 239 F CB 1.374 40.539 39.000 0.275 0.000 1.131 239 F HN -0.219 nan 8.300 nan 0.000 0.471 240 V N 2.534 122.707 119.914 0.431 0.000 2.483 240 V HA 0.563 4.684 4.120 0.003 0.000 0.295 240 V C -0.315 175.927 176.094 0.247 0.000 1.035 240 V CA -0.450 62.017 62.300 0.279 0.000 0.896 240 V CB 1.797 33.742 31.823 0.204 0.000 0.986 240 V HN 0.784 nan 8.190 nan 0.000 0.447 241 S N 2.622 118.451 115.700 0.215 0.000 2.572 241 S HA 0.685 5.156 4.470 0.003 0.000 0.274 241 S C -0.143 174.501 174.600 0.072 0.000 1.150 241 S CA -0.188 58.116 58.200 0.174 0.000 0.944 241 S CB 1.568 64.925 63.200 0.262 0.000 1.071 241 S HN 1.153 nan 8.310 nan 0.000 0.479 242 G N 1.823 110.642 108.800 0.031 0.000 2.370 242 G HA2 0.516 4.477 3.960 0.003 0.000 0.272 242 G HA3 0.516 4.477 3.960 0.003 0.000 0.272 242 G C -0.683 174.194 174.900 -0.037 0.000 1.208 242 G CA -0.333 44.736 45.100 -0.051 0.000 0.856 242 G HN 0.787 nan 8.290 nan 0.000 0.500 243 V N 5.235 125.057 119.914 -0.153 0.000 2.266 243 V HA 0.178 4.299 4.120 0.003 0.000 0.266 243 V C -1.577 174.412 176.094 -0.175 0.000 1.036 243 V CA -1.103 61.101 62.300 -0.159 0.000 0.828 243 V CB 1.628 33.211 31.823 -0.400 0.000 1.081 243 V HN 0.577 nan 8.190 nan 0.000 0.449 244 P HA -0.061 nan 4.420 nan 0.000 0.218 244 P C 1.178 178.177 177.300 -0.502 0.000 1.149 244 P CA 1.119 63.900 63.100 -0.531 0.000 0.817 244 P CB 0.176 31.176 31.700 -1.166 0.000 0.785 245 R N -0.781 119.478 120.500 -0.401 0.000 2.388 245 R HA 0.396 4.737 4.340 0.003 0.000 0.247 245 R C 0.770 176.969 176.300 -0.169 0.000 0.931 245 R CA -0.323 55.582 56.100 -0.325 0.000 1.082 245 R CB -0.025 29.995 30.300 -0.466 0.000 1.135 245 R HN 0.116 nan 8.270 nan 0.000 0.525 246 A N 1.270 124.022 122.820 -0.112 0.000 2.429 246 A HA 0.382 4.704 4.320 0.003 0.000 0.242 246 A C 0.931 178.508 177.584 -0.013 0.000 1.088 246 A CA 0.327 52.353 52.037 -0.018 0.000 0.784 246 A CB -0.036 18.949 19.000 -0.025 0.000 1.038 246 A HN 0.459 nan 8.150 nan 0.000 0.501 247 A N 0.830 123.664 122.820 0.023 0.000 2.415 247 A HA -0.151 4.171 4.320 0.003 0.000 0.292 247 A C 0.865 178.427 177.584 -0.036 0.000 1.452 247 A CA 1.470 53.505 52.037 -0.004 0.000 0.750 247 A CB -1.911 17.096 19.000 0.011 0.000 1.099 247 A HN 1.840 nan 8.150 nan 0.000 0.391 248 R N -1.729 118.740 120.500 -0.052 0.000 3.336 248 R HA -0.223 4.119 4.340 0.003 0.000 0.260 248 R C 1.081 177.347 176.300 -0.057 0.000 1.032 248 R CA 1.466 57.531 56.100 -0.058 0.000 0.693 248 R CB -2.907 27.361 30.300 -0.053 0.000 1.134 248 R HN 2.297 nan 8.270 nan 0.000 0.433 249 T N -4.944 109.566 114.554 -0.073 0.000 6.885 249 T HA -0.293 4.058 4.350 0.003 0.000 0.286 249 T C 0.979 175.649 174.700 -0.050 0.000 2.119 249 T CA 1.464 63.517 62.100 -0.079 0.000 3.358 249 T CB -1.526 67.310 68.868 -0.054 0.000 1.764 249 T HN 0.419 nan 8.240 nan 0.000 1.202 250 L N 1.427 122.624 121.223 -0.044 0.000 2.079 250 L HA 0.256 4.597 4.340 0.003 0.000 0.210 250 L C 1.990 178.849 176.870 -0.018 0.000 1.081 250 L CA 1.458 56.273 54.840 -0.043 0.000 0.752 250 L CB -1.120 40.901 42.059 -0.063 0.000 0.896 250 L HN 1.175 nan 8.230 nan 0.000 0.433 251 G N -0.485 108.310 108.800 -0.008 0.000 2.705 251 G HA2 -0.193 3.769 3.960 0.003 0.000 0.686 251 G HA3 -0.193 3.769 3.960 0.003 0.000 0.686 251 G C -0.859 174.154 174.900 0.188 0.000 1.285 251 G CA -0.468 44.670 45.100 0.064 0.000 0.800 251 G HN 0.012 nan 8.290 nan 0.000 0.611 252 M N -0.229 119.463 119.600 0.153 0.000 2.664 252 M HA 0.652 5.134 4.480 0.003 0.000 0.279 252 M C -0.639 175.697 176.300 0.061 0.000 1.275 252 M CA -1.050 54.356 55.300 0.177 0.000 0.829 252 M CB 2.732 35.309 32.600 -0.039 0.000 1.727 252 M HN 0.551 nan 8.290 nan 0.000 0.459 253 V N 1.938 121.950 119.914 0.163 0.000 2.447 253 V HA 0.414 4.535 4.120 0.003 0.000 0.292 253 V C -1.477 174.754 176.094 0.227 0.000 1.021 253 V CA -0.648 61.688 62.300 0.060 0.000 0.850 253 V CB 1.449 33.257 31.823 -0.026 0.000 1.005 253 V HN 0.545 nan 8.190 nan 0.000 0.426 254 Y N 4.802 125.158 120.300 0.093 0.000 2.310 254 Y HA 0.612 5.164 4.550 0.003 0.000 0.326 254 Y C 0.372 176.238 175.900 -0.057 0.000 1.151 254 Y CA -1.622 56.453 58.100 -0.041 0.000 1.195 254 Y CB 1.253 39.653 38.460 -0.099 0.000 1.210 254 Y HN 0.398 nan 8.280 nan 0.000 0.483 255 I N 4.037 124.605 120.570 -0.004 0.000 2.418 255 I HA 0.291 4.463 4.170 0.003 0.000 0.287 255 I C -1.174 174.857 176.117 -0.144 0.000 1.008 255 I CA -0.821 60.486 61.300 0.012 0.000 1.104 255 I CB 1.175 39.191 38.000 0.027 0.000 1.264 255 I HN 0.470 nan 8.210 nan 0.000 0.438 256 Y N 3.176 123.607 120.300 0.218 0.000 2.457 256 Y HA 0.283 4.834 4.550 0.002 0.000 0.333 256 Y C 0.497 176.442 175.900 0.074 0.000 1.119 256 Y CA -0.635 57.569 58.100 0.173 0.000 1.143 256 Y CB 1.013 39.648 38.460 0.291 0.000 1.230 256 Y HN 0.452 nan 8.280 nan 0.000 0.469 257 D N 0.705 121.213 120.400 0.179 0.000 2.443 257 D HA 0.022 4.663 4.640 0.003 0.000 0.239 257 D C 1.050 177.210 176.300 -0.233 0.000 1.136 257 D CA 0.576 54.581 54.000 0.008 0.000 0.879 257 D CB 1.697 42.519 40.800 0.037 0.000 1.195 257 D HN 0.868 nan 8.370 nan 0.000 0.443 258 G N 3.022 111.571 108.800 -0.418 0.000 2.464 258 G HA2 -0.215 3.747 3.960 0.003 0.000 0.217 258 G HA3 -0.215 3.747 3.960 0.003 0.000 0.217 258 G C 1.497 176.292 174.900 -0.175 0.000 1.138 258 G CA 0.597 45.290 45.100 -0.678 0.000 0.793 258 G HN 0.423 nan 8.290 nan 0.000 0.539 259 K N 1.050 121.412 120.400 -0.063 0.000 2.031 259 K HA 0.003 4.325 4.320 0.003 0.000 0.205 259 K C 0.789 177.425 176.600 0.059 0.000 1.049 259 K CA 1.011 57.307 56.287 0.015 0.000 0.939 259 K CB -0.049 32.458 32.500 0.012 0.000 0.717 259 K HN 0.541 nan 8.250 nan 0.000 0.438 260 N N -1.504 117.235 118.700 0.065 0.000 2.701 260 N HA 0.183 4.925 4.740 0.003 0.000 0.290 260 N C -0.899 174.697 175.510 0.143 0.000 1.338 260 N CA -0.778 52.329 53.050 0.096 0.000 0.799 260 N CB 0.266 38.792 38.487 0.065 0.000 1.491 260 N HN -0.161 nan 8.380 nan 0.000 0.540 261 M N 0.622 120.303 119.600 0.136 0.000 3.533 261 M HA 0.296 4.778 4.480 0.003 0.000 0.217 261 M C -0.273 176.141 176.300 0.190 0.000 1.269 261 M CA -0.105 55.283 55.300 0.146 0.000 1.435 261 M CB -1.081 31.511 32.600 -0.013 0.000 1.105 261 M HN 0.562 nan 8.290 nan 0.000 0.555 262 S N -0.414 115.411 115.700 0.209 0.000 2.554 262 S HA 0.456 4.928 4.470 0.003 0.000 0.278 262 S C 0.006 174.730 174.600 0.207 0.000 1.242 262 S CA -0.619 57.680 58.200 0.166 0.000 1.051 262 S CB 0.857 64.100 63.200 0.071 0.000 0.986 262 S HN 0.521 nan 8.310 nan 0.000 0.502 263 S N 3.863 119.621 115.700 0.096 0.000 2.548 263 S HA 0.403 4.875 4.470 0.003 0.000 0.277 263 S C 0.749 175.244 174.600 -0.174 0.000 1.315 263 S CA -0.561 57.563 58.200 -0.128 0.000 1.050 263 S CB 0.113 63.182 63.200 -0.219 0.000 0.918 263 S HN 0.754 nan 8.310 nan 0.000 0.497 264 L N 3.485 124.568 121.223 -0.234 0.000 2.541 264 L HA 0.438 4.779 4.340 0.003 0.000 0.187 264 L C -0.726 175.781 176.870 -0.606 0.000 1.098 264 L CA 0.077 54.703 54.840 -0.356 0.000 0.846 264 L CB 0.176 42.131 42.059 -0.174 0.000 1.151 264 L HN 0.617 nan 8.230 nan 0.000 0.492 265 Y N -0.680 119.533 120.300 -0.144 0.000 2.562 265 Y HA 0.423 4.974 4.550 0.003 0.000 0.345 265 Y C -0.626 175.132 175.900 -0.236 0.000 1.045 265 Y CA -1.283 56.690 58.100 -0.212 0.000 1.028 265 Y CB 1.460 39.767 38.460 -0.254 0.000 1.297 265 Y HN -0.067 nan 8.280 nan 0.000 0.463 266 N N 1.121 119.761 118.700 -0.101 0.000 2.272 266 N HA 0.553 5.295 4.740 0.003 0.000 0.305 266 N C -1.656 173.681 175.510 -0.287 0.000 1.103 266 N CA -0.601 52.442 53.050 -0.012 0.000 0.791 266 N CB 1.805 40.357 38.487 0.109 0.000 1.356 266 N HN 0.370 nan 8.380 nan 0.000 0.486 267 F N -0.243 119.753 119.950 0.076 0.000 2.556 267 F HA 0.574 5.102 4.527 0.003 0.000 0.327 267 F C 0.558 176.434 175.800 0.127 0.000 1.059 267 F CA -0.380 57.666 58.000 0.076 0.000 0.953 267 F CB 2.028 41.104 39.000 0.126 0.000 1.227 267 F HN 0.115 nan 8.300 nan 0.000 0.478 268 T N 0.286 114.907 114.554 0.112 0.000 2.912 268 T HA 0.588 4.939 4.350 0.003 0.000 0.299 268 T C -0.055 174.220 174.700 -0.708 0.000 1.052 268 T CA -0.926 61.081 62.100 -0.155 0.000 0.996 268 T CB 1.770 70.591 68.868 -0.077 0.000 1.070 268 T HN 0.872 nan 8.240 nan 0.000 0.465 269 G N 0.389 108.609 108.800 -0.966 0.000 2.572 269 G HA2 0.389 4.350 3.960 0.003 0.000 0.261 269 G HA3 0.389 4.350 3.960 0.003 0.000 0.261 269 G C 0.502 175.175 174.900 -0.378 0.000 1.197 269 G CA -0.434 44.049 45.100 -1.029 0.000 0.870 269 G HN 0.674 nan 8.290 nan 0.000 0.548 270 E N -0.786 119.300 120.200 -0.191 0.000 2.340 270 E HA -0.000 4.351 4.350 0.003 0.000 0.194 270 E C 0.806 177.418 176.600 0.021 0.000 0.996 270 E CA 0.435 56.814 56.400 -0.036 0.000 0.869 270 E CB 0.640 30.374 29.700 0.056 0.000 0.835 270 E HN 0.617 nan 8.360 nan 0.000 0.493 271 Q N 0.740 120.578 119.800 0.063 0.000 2.290 271 Q HA 0.338 4.679 4.340 0.003 0.000 0.269 271 Q C -0.842 175.160 176.000 0.005 0.000 1.016 271 Q CA -0.295 55.510 55.803 0.003 0.000 0.754 271 Q CB 1.349 30.017 28.738 -0.116 0.000 1.247 271 Q HN -0.058 nan 8.270 nan 0.000 0.451 272 M N 2.536 122.122 119.600 -0.023 0.000 2.250 272 M HA 0.176 4.657 4.480 0.003 0.000 0.325 272 M C 1.044 177.350 176.300 0.010 0.000 1.084 272 M CA 1.439 56.732 55.300 -0.012 0.000 1.161 272 M CB 0.586 33.170 32.600 -0.025 0.000 1.481 272 M HN 1.033 nan 8.290 nan 0.000 0.449 273 A N 1.200 124.043 122.820 0.038 0.000 3.661 273 A HA -0.242 4.080 4.320 0.003 0.000 0.269 273 A C 1.440 179.121 177.584 0.162 0.000 1.056 273 A CA 1.225 53.317 52.037 0.091 0.000 1.159 273 A CB -2.342 16.692 19.000 0.057 0.000 1.105 273 A HN 1.128 nan 8.150 nan 0.000 0.907 274 A N -2.391 120.521 122.820 0.154 0.000 2.235 274 A HA 0.357 4.679 4.320 0.003 0.000 0.208 274 A C 0.904 178.686 177.584 0.329 0.000 1.172 274 A CA 1.321 53.495 52.037 0.227 0.000 0.786 274 A CB -0.502 18.668 19.000 0.284 0.000 0.804 274 A HN 1.763 nan 8.150 nan 0.000 0.479 275 Y N -2.725 117.650 120.300 0.125 0.000 3.389 275 Y HA -0.255 4.296 4.550 0.003 0.000 0.213 275 Y C 0.128 176.126 175.900 0.165 0.000 1.272 275 Y CA 0.230 58.396 58.100 0.110 0.000 1.444 275 Y CB -2.475 36.026 38.460 0.068 0.000 1.445 275 Y HN 0.462 nan 8.280 nan 0.000 0.583 276 F N 1.280 121.260 119.950 0.050 0.000 2.519 276 F HA 0.344 4.872 4.527 0.002 0.000 0.381 276 F C 1.237 177.014 175.800 -0.038 0.000 1.076 276 F CA 1.674 59.691 58.000 0.027 0.000 1.095 276 F CB 0.111 39.119 39.000 0.012 0.000 1.046 276 F HN 0.370 nan 8.300 nan 0.000 0.559 277 G N 4.939 113.531 108.800 -0.347 0.000 2.260 277 G HA2 -0.336 3.626 3.960 0.003 0.000 0.179 277 G HA3 -0.336 3.626 3.960 0.003 0.000 0.179 277 G C 0.782 175.662 174.900 -0.033 0.000 1.002 277 G CA 0.017 44.954 45.100 -0.272 0.000 0.677 277 G HN 0.672 nan 8.290 nan 0.000 0.486 278 F N 3.021 122.954 119.950 -0.028 0.000 2.087 278 F HA 0.063 4.591 4.527 0.003 0.000 0.299 278 F C 1.570 177.471 175.800 0.169 0.000 1.100 278 F CA 2.541 60.633 58.000 0.153 0.000 1.226 278 F CB 0.027 39.158 39.000 0.219 0.000 0.983 278 F HN 0.549 nan 8.300 nan 0.000 0.479 279 S N -0.372 115.417 115.700 0.148 0.000 2.548 279 S HA 0.698 5.169 4.470 0.003 0.000 0.286 279 S C -0.865 173.716 174.600 -0.033 0.000 1.098 279 S CA -0.196 58.016 58.200 0.020 0.000 0.930 279 S CB 1.931 65.174 63.200 0.072 0.000 1.070 279 S HN 0.524 nan 8.310 nan 0.000 0.480 280 V N -1.679 118.216 119.914 -0.032 0.000 2.971 280 V HA 1.051 5.173 4.120 0.003 0.000 0.309 280 V C -0.402 175.706 176.094 0.024 0.000 1.130 280 V CA -0.759 61.522 62.300 -0.031 0.000 0.964 280 V CB 0.963 32.762 31.823 -0.040 0.000 1.029 280 V HN 1.697 nan 8.190 nan 0.000 0.427 281 A N 2.092 124.962 122.820 0.083 0.000 2.549 281 A HA 1.058 5.379 4.320 0.003 0.000 0.297 281 A C -0.441 177.300 177.584 0.262 0.000 1.061 281 A CA -0.295 51.814 52.037 0.120 0.000 0.690 281 A CB 1.869 20.874 19.000 0.009 0.000 1.287 281 A HN 2.532 nan 8.150 nan 0.000 0.402 282 A N 0.595 123.564 122.820 0.248 0.000 2.356 282 A HA 0.941 5.262 4.320 0.003 0.000 0.310 282 A C -0.380 177.353 177.584 0.248 0.000 1.075 282 A CA -0.038 52.198 52.037 0.331 0.000 0.746 282 A CB 1.463 20.672 19.000 0.349 0.000 1.221 282 A HN 2.148 nan 8.150 nan 0.000 0.443 283 T N 0.562 115.300 114.554 0.306 0.000 3.128 283 T HA 0.338 4.690 4.350 0.003 0.000 0.363 283 T C -2.187 172.673 174.700 0.268 0.000 1.610 283 T CA -0.473 61.756 62.100 0.215 0.000 1.126 283 T CB 1.332 70.277 68.868 0.129 0.000 1.416 283 T HN 0.693 nan 8.240 nan 0.000 0.480 284 D N 3.692 124.201 120.400 0.181 0.000 2.402 284 D HA 0.237 4.879 4.640 0.003 0.000 0.235 284 D C 0.980 177.411 176.300 0.219 0.000 1.226 284 D CA -0.499 53.613 54.000 0.187 0.000 0.918 284 D CB 0.425 41.295 40.800 0.117 0.000 1.043 284 D HN 0.434 nan 8.370 nan 0.000 0.506 285 I N 3.400 124.136 120.570 0.277 0.000 2.876 285 I HA -0.040 4.132 4.170 0.003 0.000 0.264 285 I C 1.170 177.443 176.117 0.260 0.000 1.204 285 I CA 0.614 62.087 61.300 0.289 0.000 1.485 285 I CB -0.036 38.200 38.000 0.394 0.000 1.103 285 I HN 0.438 nan 8.210 nan 0.000 0.446 286 N N -0.067 118.778 118.700 0.241 0.000 2.234 286 N HA 0.149 4.891 4.740 0.003 0.000 0.227 286 N C 1.133 176.887 175.510 0.406 0.000 1.151 286 N CA 0.513 53.707 53.050 0.240 0.000 0.865 286 N CB -0.156 38.408 38.487 0.127 0.000 1.066 286 N HN 0.187 nan 8.380 nan 0.000 0.515 287 G N 2.260 111.285 108.800 0.374 0.000 2.356 287 G HA2 -0.293 3.669 3.960 0.003 0.000 0.296 287 G HA3 -0.293 3.669 3.960 0.003 0.000 0.296 287 G C -0.083 174.893 174.900 0.126 0.000 1.022 287 G CA 0.718 45.946 45.100 0.212 0.000 0.961 287 G HN 0.689 nan 8.290 nan 0.000 0.510 288 D N -0.650 119.813 120.400 0.106 0.000 2.501 288 D HA 0.232 4.873 4.640 0.003 0.000 0.224 288 D C 0.602 176.815 176.300 -0.144 0.000 1.202 288 D CA 0.084 54.104 54.000 0.033 0.000 0.829 288 D CB -0.042 40.835 40.800 0.128 0.000 1.023 288 D HN 0.247 nan 8.370 nan 0.000 0.499 289 D N -0.317 120.005 120.400 -0.130 0.000 2.945 289 D HA -0.238 4.403 4.640 0.003 0.000 0.225 289 D C -1.031 175.068 176.300 -0.335 0.000 1.158 289 D CA 0.804 54.663 54.000 -0.235 0.000 0.805 289 D CB -1.710 38.904 40.800 -0.310 0.000 1.098 289 D HN 0.414 nan 8.370 nan 0.000 0.426 290 Y N 0.109 120.407 120.300 -0.003 0.000 2.326 290 Y HA 0.569 5.120 4.550 0.002 0.000 0.331 290 Y C 0.620 176.517 175.900 -0.004 0.000 0.962 290 Y CA -1.243 56.840 58.100 -0.027 0.000 1.167 290 Y CB 1.429 39.875 38.460 -0.022 0.000 1.148 290 Y HN 0.060 nan 8.280 nan 0.000 0.463 291 A N 3.357 126.227 122.820 0.084 0.000 2.531 291 A HA 0.282 4.603 4.320 0.003 0.000 0.236 291 A C -0.283 177.456 177.584 0.257 0.000 1.062 291 A CA 0.056 52.128 52.037 0.058 0.000 0.760 291 A CB -0.004 18.860 19.000 -0.228 0.000 0.995 291 A HN 0.668 nan 8.150 nan 0.000 0.501 292 D N 1.064 121.658 120.400 0.323 0.000 2.481 292 D HA 0.452 5.093 4.640 0.003 0.000 0.244 292 D C -0.754 175.693 176.300 0.244 0.000 1.057 292 D CA -0.240 53.937 54.000 0.295 0.000 0.848 292 D CB 1.903 42.792 40.800 0.149 0.000 1.388 292 D HN 0.205 nan 8.370 nan 0.000 0.475 293 V N 1.972 121.911 119.914 0.041 0.000 2.509 293 V HA 0.403 4.524 4.120 0.003 0.000 0.284 293 V C -0.453 175.357 176.094 -0.474 0.000 1.047 293 V CA -0.417 61.805 62.300 -0.129 0.000 0.952 293 V CB 0.465 32.015 31.823 -0.454 0.000 0.988 293 V HN 0.342 nan 8.190 nan 0.000 0.469 294 F N 4.490 124.349 119.950 -0.152 0.000 2.520 294 F HA 0.687 5.215 4.527 0.002 0.000 0.322 294 F C -0.032 175.622 175.800 -0.243 0.000 1.103 294 F CA -0.728 57.170 58.000 -0.170 0.000 0.926 294 F CB 1.674 40.617 39.000 -0.096 0.000 1.154 294 F HN 0.200 nan 8.300 nan 0.000 0.453 295 I N 2.259 122.741 120.570 -0.146 0.000 2.468 295 I HA 0.428 4.600 4.170 0.003 0.000 0.285 295 I C 0.153 176.143 176.117 -0.212 0.000 1.039 295 I CA -0.744 60.364 61.300 -0.320 0.000 1.074 295 I CB 1.876 39.456 38.000 -0.701 0.000 1.228 295 I HN 0.735 nan 8.210 nan 0.000 0.436 296 G N 4.416 113.138 108.800 -0.131 0.000 2.370 296 G HA2 0.568 4.529 3.960 0.003 0.000 0.272 296 G HA3 0.568 4.529 3.960 0.003 0.000 0.272 296 G C -0.187 174.732 174.900 0.032 0.000 1.208 296 G CA -0.288 44.805 45.100 -0.011 0.000 0.856 296 G HN 0.750 nan 8.290 nan 0.000 0.500 297 A N 4.943 127.834 122.820 0.119 0.000 3.105 297 A HA 0.636 4.957 4.320 0.003 0.000 0.336 297 A C -1.391 176.337 177.584 0.239 0.000 1.042 297 A CA -1.159 51.020 52.037 0.236 0.000 0.851 297 A CB 1.388 20.609 19.000 0.369 0.000 1.068 297 A HN 0.467 nan 8.150 nan 0.000 0.477 298 P HA -0.051 nan 4.420 nan 0.000 0.230 298 P C 0.644 178.030 177.300 0.143 0.000 1.158 298 P CA 0.767 63.934 63.100 0.112 0.000 0.769 298 P CB 0.220 31.870 31.700 -0.084 0.000 0.807 299 L N -1.612 119.706 121.223 0.158 0.000 2.791 299 L HA 0.279 4.621 4.340 0.003 0.000 0.239 299 L C 0.847 177.818 176.870 0.167 0.000 1.203 299 L CA -0.803 54.123 54.840 0.144 0.000 1.002 299 L CB -0.542 41.582 42.059 0.109 0.000 1.295 299 L HN -0.130 nan 8.230 nan 0.000 0.504 300 F N 1.846 121.842 119.950 0.077 0.000 2.506 300 F HA 0.174 4.703 4.527 0.002 0.000 0.351 300 F C 0.467 176.271 175.800 0.006 0.000 1.136 300 F CA 0.256 58.287 58.000 0.052 0.000 1.298 300 F CB 0.560 39.599 39.000 0.065 0.000 1.145 300 F HN -0.062 nan 8.300 nan 0.000 0.593 301 M N 6.431 125.620 119.600 -0.685 0.000 2.023 301 M HA 0.188 4.669 4.480 0.003 0.000 0.325 301 M C -0.671 175.308 176.300 -0.534 0.000 0.963 301 M CA -1.014 54.024 55.300 -0.436 0.000 0.928 301 M CB 0.893 33.294 32.600 -0.332 0.000 1.429 301 M HN 0.584 nan 8.290 nan 0.000 0.404 302 D N 2.252 122.621 120.400 -0.051 0.000 2.398 302 D HA 0.229 4.870 4.640 0.003 0.000 0.264 302 D C -0.382 175.895 176.300 -0.038 0.000 1.263 302 D CA -0.351 53.707 54.000 0.097 0.000 1.037 302 D CB 0.730 41.634 40.800 0.174 0.000 1.101 302 D HN 0.312 nan 8.370 nan 0.000 0.551 303 R N -1.182 119.311 120.500 -0.012 0.000 2.437 303 R HA 0.592 4.933 4.340 0.003 0.000 0.310 303 R C 0.375 176.657 176.300 -0.030 0.000 0.955 303 R CA -0.449 55.631 56.100 -0.034 0.000 0.851 303 R CB 1.505 31.790 30.300 -0.024 0.000 1.161 303 R HN 0.598 nan 8.270 nan 0.000 0.446 304 G N 0.290 109.068 108.800 -0.037 0.000 2.683 304 G HA2 -0.066 3.895 3.960 0.003 0.000 0.260 304 G HA3 -0.066 3.895 3.960 0.003 0.000 0.260 304 G C 0.724 175.611 174.900 -0.021 0.000 1.238 304 G CA -0.087 44.995 45.100 -0.031 0.000 0.934 304 G HN 0.626 nan 8.290 nan 0.000 0.534 305 S N -0.486 115.205 115.700 -0.015 0.000 2.423 305 S HA -0.149 4.322 4.470 0.003 0.000 0.231 305 S C 1.938 176.532 174.600 -0.009 0.000 1.014 305 S CA 1.907 60.101 58.200 -0.009 0.000 0.965 305 S CB -0.384 62.813 63.200 -0.005 0.000 0.785 305 S HN 0.677 nan 8.310 nan 0.000 0.495 306 D N -0.227 120.167 120.400 -0.010 0.000 2.269 306 D HA 0.112 4.753 4.640 0.003 0.000 0.208 306 D C 1.507 177.800 176.300 -0.012 0.000 0.963 306 D CA 1.119 55.114 54.000 -0.009 0.000 0.864 306 D CB -0.945 39.850 40.800 -0.009 0.000 0.936 306 D HN 0.595 nan 8.370 nan 0.000 0.505 307 G N 0.149 108.939 108.800 -0.016 0.000 2.184 307 G HA2 -0.242 3.719 3.960 0.003 0.000 0.206 307 G HA3 -0.242 3.719 3.960 0.003 0.000 0.206 307 G C 0.089 174.974 174.900 -0.026 0.000 0.995 307 G CA 0.035 45.124 45.100 -0.019 0.000 0.651 307 G HN 0.557 nan 8.290 nan 0.000 0.511 308 K N 0.842 121.224 120.400 -0.029 0.000 2.130 308 K HA 0.664 4.986 4.320 0.003 0.000 0.268 308 K C 0.859 177.427 176.600 -0.052 0.000 0.983 308 K CA -1.005 55.261 56.287 -0.035 0.000 0.893 308 K CB 0.513 32.997 32.500 -0.027 0.000 1.066 308 K HN -0.049 nan 8.250 nan 0.000 0.450 309 L N 3.850 125.035 121.223 -0.064 0.000 2.514 309 L HA 0.005 4.346 4.340 0.003 0.000 0.280 309 L C -0.081 176.725 176.870 -0.105 0.000 1.223 309 L CA 0.860 55.644 54.840 -0.094 0.000 0.864 309 L CB 0.235 42.234 42.059 -0.099 0.000 1.118 309 L HN 0.767 nan 8.230 nan 0.000 0.494 310 Q N 1.014 120.732 119.800 -0.136 0.000 2.313 310 Q HA 0.351 4.693 4.340 0.003 0.000 0.260 310 Q C -0.862 175.011 176.000 -0.211 0.000 0.972 310 Q CA -0.622 55.071 55.803 -0.184 0.000 0.886 310 Q CB 1.628 30.276 28.738 -0.151 0.000 1.373 310 Q HN 0.551 nan 8.270 nan 0.000 0.416 311 E N 2.417 122.421 120.200 -0.327 0.000 2.081 311 E HA 0.135 4.486 4.350 0.003 0.000 0.270 311 E C 0.272 176.758 176.600 -0.190 0.000 1.180 311 E CA 0.010 56.260 56.400 -0.251 0.000 0.926 311 E CB 0.714 30.239 29.700 -0.293 0.000 1.035 311 E HN 0.629 nan 8.360 nan 0.000 0.418 312 V N 1.462 121.356 119.914 -0.033 0.000 3.562 312 V HA 0.464 4.586 4.120 0.003 0.000 0.270 312 V C 0.693 176.864 176.094 0.128 0.000 1.418 312 V CA 0.356 62.664 62.300 0.014 0.000 1.033 312 V CB -0.110 31.677 31.823 -0.059 0.000 0.820 312 V HN 0.785 nan 8.190 nan 0.000 0.441 313 G N 0.436 109.363 108.800 0.211 0.000 2.716 313 G HA2 -0.040 3.922 3.960 0.003 0.000 0.686 313 G HA3 -0.040 3.922 3.960 0.003 0.000 0.686 313 G C -0.853 174.205 174.900 0.263 0.000 1.337 313 G CA 0.155 45.434 45.100 0.299 0.000 0.829 313 G HN 0.953 nan 8.290 nan 0.000 0.599 314 Q N -0.686 119.244 119.800 0.218 0.000 2.345 314 Q HA 0.659 5.001 4.340 0.003 0.000 0.275 314 Q C -1.086 174.967 176.000 0.088 0.000 1.063 314 Q CA -0.981 54.828 55.803 0.010 0.000 0.819 314 Q CB 2.574 30.974 28.738 -0.562 0.000 1.356 314 Q HN 0.937 nan 8.270 nan 0.000 0.418 315 V N 2.134 122.116 119.914 0.113 0.000 2.448 315 V HA 0.429 4.551 4.120 0.003 0.000 0.295 315 V C -0.239 175.853 176.094 -0.003 0.000 1.025 315 V CA -0.615 61.724 62.300 0.064 0.000 0.859 315 V CB 1.636 33.514 31.823 0.091 0.000 0.988 315 V HN 0.773 nan 8.190 nan 0.000 0.431 316 S N 3.626 119.312 115.700 -0.024 0.000 2.562 316 S HA 0.642 5.114 4.470 0.003 0.000 0.275 316 S C -0.589 173.911 174.600 -0.168 0.000 1.281 316 S CA -0.398 57.763 58.200 -0.065 0.000 1.045 316 S CB 1.159 64.368 63.200 0.015 0.000 0.962 316 S HN 0.528 nan 8.310 nan 0.000 0.503 317 V N 4.661 124.445 119.914 -0.217 0.000 2.398 317 V HA 0.371 4.493 4.120 0.003 0.000 0.282 317 V C -0.564 175.341 176.094 -0.316 0.000 1.014 317 V CA -0.670 61.383 62.300 -0.412 0.000 0.838 317 V CB 1.365 33.022 31.823 -0.277 0.000 1.018 317 V HN 0.869 nan 8.190 nan 0.000 0.432 318 S N 5.884 121.364 115.700 -0.367 0.000 2.461 318 S HA 0.560 5.032 4.470 0.003 0.000 0.322 318 S C -0.331 174.331 174.600 0.104 0.000 1.063 318 S CA -0.462 57.688 58.200 -0.082 0.000 1.120 318 S CB 0.830 63.925 63.200 -0.174 0.000 0.968 318 S HN 0.444 nan 8.310 nan 0.000 0.467 319 L N 3.660 124.950 121.223 0.111 0.000 2.315 319 L HA 0.301 4.642 4.340 0.003 0.000 0.283 319 L C 0.630 177.548 176.870 0.080 0.000 1.089 319 L CA 0.329 55.227 54.840 0.096 0.000 0.833 319 L CB 0.579 42.660 42.059 0.037 0.000 1.170 319 L HN 0.635 nan 8.230 nan 0.000 0.442 320 Q N 4.145 123.958 119.800 0.022 0.000 2.352 320 Q HA 0.264 4.606 4.340 0.003 0.000 0.260 320 Q C -0.696 175.068 176.000 -0.394 0.000 0.976 320 Q CA -0.338 55.227 55.803 -0.398 0.000 0.881 320 Q CB 0.646 29.256 28.738 -0.213 0.000 1.235 320 Q HN 0.413 nan 8.270 nan 0.000 0.419 321 R N 2.019 122.180 120.500 -0.565 0.000 2.670 321 R HA 0.352 4.693 4.340 0.003 0.000 0.289 321 R C 0.198 176.141 176.300 -0.596 0.000 0.965 321 R CA 0.115 55.943 56.100 -0.452 0.000 0.899 321 R CB 1.605 31.747 30.300 -0.263 0.000 1.173 321 R HN 0.861 nan 8.270 nan 0.000 0.456 322 A N 1.528 124.004 122.820 -0.574 0.000 2.032 322 A HA -0.195 4.127 4.320 0.003 0.000 0.221 322 A C 1.745 179.206 177.584 -0.205 0.000 1.165 322 A CA 2.127 53.919 52.037 -0.409 0.000 0.645 322 A CB -0.247 18.715 19.000 -0.062 0.000 0.807 322 A HN 0.735 nan 8.150 nan 0.000 0.453 323 S N -1.718 113.878 115.700 -0.172 0.000 2.343 323 S HA 0.224 4.695 4.470 0.003 0.000 0.219 323 S C 1.792 176.338 174.600 -0.091 0.000 1.033 323 S CA 1.727 59.866 58.200 -0.102 0.000 1.014 323 S CB -0.343 62.807 63.200 -0.084 0.000 0.915 323 S HN 1.495 nan 8.310 nan 0.000 0.435 324 G N 0.610 109.312 108.800 -0.163 0.000 3.345 324 G HA2 -0.108 3.853 3.960 0.003 0.000 0.199 324 G HA3 -0.108 3.853 3.960 0.003 0.000 0.199 324 G C -0.871 173.900 174.900 -0.216 0.000 1.057 324 G CA -0.281 44.765 45.100 -0.090 0.000 0.865 324 G HN 0.370 nan 8.290 nan 0.000 0.449 325 D N 1.883 122.207 120.400 -0.127 0.000 2.412 325 D HA 0.394 5.035 4.640 0.003 0.000 0.257 325 D C 0.261 176.459 176.300 -0.170 0.000 1.217 325 D CA 0.329 54.281 54.000 -0.079 0.000 0.897 325 D CB 0.310 41.091 40.800 -0.032 0.000 1.132 325 D HN 0.123 nan 8.370 nan 0.000 0.493 326 F N 1.099 120.956 119.950 -0.156 0.000 2.450 326 F HA 0.080 4.608 4.527 0.003 0.000 0.339 326 F C 1.497 177.266 175.800 -0.052 0.000 1.146 326 F CA 0.047 57.987 58.000 -0.100 0.000 1.267 326 F CB 0.662 39.634 39.000 -0.046 0.000 1.178 326 F HN 0.071 nan 8.300 nan 0.000 0.585 327 Q N 2.447 122.332 119.800 0.141 0.000 2.508 327 Q HA 0.248 4.589 4.340 0.003 0.000 0.247 327 Q C -1.136 174.902 176.000 0.064 0.000 1.047 327 Q CA -0.238 55.605 55.803 0.066 0.000 0.783 327 Q CB 1.091 29.841 28.738 0.019 0.000 1.172 327 Q HN 0.709 nan 8.270 nan 0.000 0.515 328 T N 2.042 116.633 114.554 0.062 0.000 2.907 328 T HA 0.582 4.933 4.350 0.003 0.000 0.284 328 T C 0.168 174.861 174.700 -0.011 0.000 1.004 328 T CA -0.301 61.814 62.100 0.025 0.000 1.063 328 T CB 1.453 70.353 68.868 0.052 0.000 0.992 328 T HN 0.630 nan 8.240 nan 0.000 0.483 329 T N -0.094 114.434 114.554 -0.043 0.000 2.864 329 T HA 0.767 5.118 4.350 0.003 0.000 0.299 329 T C -1.190 173.466 174.700 -0.072 0.000 1.166 329 T CA -1.139 60.932 62.100 -0.049 0.000 1.007 329 T CB 1.792 70.636 68.868 -0.041 0.000 1.219 329 T HN 0.246 nan 8.240 nan 0.000 0.506 330 K N 0.489 120.840 120.400 -0.082 0.000 2.208 330 K HA 0.769 5.090 4.320 0.003 0.000 0.247 330 K C -1.247 175.279 176.600 -0.123 0.000 0.953 330 K CA -0.988 55.228 56.287 -0.117 0.000 0.837 330 K CB 1.717 34.121 32.500 -0.159 0.000 1.131 330 K HN 0.672 nan 8.250 nan 0.000 0.431 331 L N 2.832 123.973 121.223 -0.136 0.000 2.457 331 L HA 0.422 4.763 4.340 0.003 0.000 0.266 331 L C -1.262 175.460 176.870 -0.247 0.000 0.979 331 L CA -0.354 54.393 54.840 -0.155 0.000 0.857 331 L CB 1.107 43.120 42.059 -0.078 0.000 1.213 331 L HN 0.719 nan 8.230 nan 0.000 0.418 332 N N 2.329 120.760 118.700 -0.448 0.000 2.498 332 N HA 0.377 5.118 4.740 0.003 0.000 0.287 332 N C 0.286 175.079 175.510 -1.194 0.000 1.097 332 N CA -0.466 52.245 53.050 -0.564 0.000 0.973 332 N CB 1.872 40.132 38.487 -0.379 0.000 1.153 332 N HN 0.635 nan 8.380 nan 0.000 0.472 333 G N 0.331 108.483 108.800 -1.080 0.000 2.716 333 G HA2 0.073 4.035 3.960 0.003 0.000 0.251 333 G HA3 0.073 4.035 3.960 0.003 0.000 0.251 333 G C -0.159 174.188 174.900 -0.922 0.000 1.224 333 G CA -0.035 44.337 45.100 -1.213 0.000 0.891 333 G HN 0.555 nan 8.290 nan 0.000 0.561 334 F N -0.992 118.785 119.950 -0.290 0.000 2.727 334 F HA 0.334 4.863 4.527 0.002 0.000 0.302 334 F C 1.140 176.935 175.800 -0.009 0.000 1.107 334 F CA 0.018 57.935 58.000 -0.138 0.000 1.277 334 F CB 0.596 39.522 39.000 -0.123 0.000 1.079 334 F HN 0.286 nan 8.300 nan 0.000 0.594 335 E N 0.232 120.557 120.200 0.210 0.000 2.288 335 E HA 0.454 4.806 4.350 0.003 0.000 0.268 335 E C -1.002 175.656 176.600 0.097 0.000 0.885 335 E CA -0.928 55.575 56.400 0.172 0.000 0.767 335 E CB 3.212 33.058 29.700 0.243 0.000 1.220 335 E HN -0.271 nan 8.360 nan 0.000 0.427 336 V N 3.787 123.718 119.914 0.028 0.000 2.572 336 V HA -0.009 4.113 4.120 0.003 0.000 0.291 336 V C 0.307 176.396 176.094 -0.009 0.000 1.039 336 V CA 0.505 62.716 62.300 -0.149 0.000 1.055 336 V CB -0.549 31.116 31.823 -0.263 0.000 0.969 336 V HN 0.806 nan 8.190 nan 0.000 0.482 337 F N 1.152 121.163 119.950 0.102 0.000 2.705 337 F HA -0.249 4.280 4.527 0.002 0.000 0.413 337 F C 1.269 177.167 175.800 0.162 0.000 0.588 337 F CA 0.656 58.713 58.000 0.096 0.000 1.187 337 F CB -1.941 37.096 39.000 0.061 0.000 1.737 337 F HN 0.613 nan 8.300 nan 0.000 0.285 338 A N 1.436 124.467 122.820 0.351 0.000 2.395 338 A HA 0.510 4.832 4.320 0.003 0.000 0.286 338 A C 0.838 178.662 177.584 0.400 0.000 1.193 338 A CA -0.385 51.891 52.037 0.399 0.000 0.852 338 A CB 0.196 19.426 19.000 0.383 0.000 1.118 338 A HN 0.204 nan 8.150 nan 0.000 0.524 339 R N 3.466 124.226 120.500 0.433 0.000 2.878 339 R HA 0.019 4.361 4.340 0.003 0.000 0.239 339 R C 0.302 176.794 176.300 0.321 0.000 1.515 339 R CA -0.116 56.182 56.100 0.331 0.000 1.210 339 R CB -0.617 29.860 30.300 0.295 0.000 1.209 339 R HN 0.858 nan 8.270 nan 0.000 0.610 340 F N 1.650 121.721 119.950 0.203 0.000 2.091 340 F HA -0.122 4.407 4.527 0.002 0.000 0.299 340 F C 1.893 177.798 175.800 0.174 0.000 1.103 340 F CA 2.019 60.148 58.000 0.216 0.000 1.228 340 F CB -0.035 39.047 39.000 0.137 0.000 0.984 340 F HN 0.440 nan 8.300 nan 0.000 0.477 341 G N -1.047 107.773 108.800 0.034 0.000 3.279 341 G HA2 0.035 3.997 3.960 0.003 0.000 0.230 341 G HA3 0.035 3.997 3.960 0.003 0.000 0.230 341 G C 1.398 176.295 174.900 -0.006 0.000 1.230 341 G CA 0.531 45.579 45.100 -0.086 0.000 0.891 341 G HN 0.380 nan 8.290 nan 0.000 0.518 342 S N 0.097 115.797 115.700 -0.001 0.000 2.383 342 S HA 0.261 4.733 4.470 0.003 0.000 0.227 342 S C 1.181 175.854 174.600 0.122 0.000 1.026 342 S CA 1.019 59.262 58.200 0.071 0.000 0.981 342 S CB 0.121 63.342 63.200 0.034 0.000 0.818 342 S HN 0.677 nan 8.310 nan 0.000 0.472 343 A N 1.078 123.889 122.820 -0.016 0.000 2.437 343 A HA 0.630 4.951 4.320 0.003 0.000 0.293 343 A C -1.181 176.352 177.584 -0.084 0.000 1.038 343 A CA -0.629 51.370 52.037 -0.063 0.000 0.708 343 A CB 0.956 19.889 19.000 -0.112 0.000 1.251 343 A HN 0.143 nan 8.150 nan 0.000 0.409 344 I N 2.146 122.666 120.570 -0.084 0.000 2.359 344 I HA 0.557 4.728 4.170 0.003 0.000 0.284 344 I C 0.391 176.441 176.117 -0.111 0.000 1.018 344 I CA -0.601 60.629 61.300 -0.116 0.000 1.173 344 I CB 0.663 38.590 38.000 -0.120 0.000 1.326 344 I HN 0.708 nan 8.210 nan 0.000 0.462 345 A N 8.810 131.572 122.820 -0.096 0.000 2.328 345 A HA 0.760 5.082 4.320 0.003 0.000 0.318 345 A C -2.563 174.982 177.584 -0.065 0.000 1.347 345 A CA -1.448 50.553 52.037 -0.060 0.000 0.842 345 A CB 0.449 19.432 19.000 -0.027 0.000 1.148 345 A HN 0.383 nan 8.150 nan 0.000 0.499 346 P HA 0.087 nan 4.420 nan 0.000 0.264 346 P C 0.345 177.643 177.300 -0.004 0.000 1.183 346 P CA 0.276 63.340 63.100 -0.060 0.000 0.763 346 P CB 0.531 32.211 31.700 -0.033 0.000 0.807 347 L N 1.783 123.011 121.223 0.008 0.000 2.664 347 L HA 0.274 4.615 4.340 0.003 0.000 0.233 347 L C 1.489 178.366 176.870 0.011 0.000 1.113 347 L CA 0.317 55.172 54.840 0.026 0.000 0.896 347 L CB -0.624 41.461 42.059 0.043 0.000 1.163 347 L HN 0.673 nan 8.230 nan 0.000 0.497 348 G N 1.043 109.850 108.800 0.011 0.000 2.539 348 G HA2 -0.328 3.633 3.960 0.003 0.000 0.256 348 G HA3 -0.328 3.633 3.960 0.003 0.000 0.256 348 G C -0.343 174.577 174.900 0.032 0.000 1.233 348 G CA 0.030 45.134 45.100 0.007 0.000 0.936 348 G HN 0.253 nan 8.290 nan 0.000 0.571 349 D N 0.902 121.311 120.400 0.016 0.000 2.494 349 D HA 0.393 5.035 4.640 0.003 0.000 0.217 349 D C 1.633 177.966 176.300 0.055 0.000 1.153 349 D CA -0.431 53.595 54.000 0.043 0.000 0.954 349 D CB 0.719 41.522 40.800 0.006 0.000 1.034 349 D HN 0.419 nan 8.370 nan 0.000 0.518 350 L N 3.411 124.684 121.223 0.083 0.000 2.127 350 L HA -0.116 4.225 4.340 0.003 0.000 0.211 350 L C 1.376 178.328 176.870 0.138 0.000 1.089 350 L CA 1.867 56.759 54.840 0.087 0.000 0.757 350 L CB -0.007 42.088 42.059 0.060 0.000 0.899 350 L HN 0.408 nan 8.230 nan 0.000 0.434 351 D N -3.151 117.338 120.400 0.148 0.000 2.433 351 D HA -0.049 4.592 4.640 0.003 0.000 0.211 351 D C 0.199 176.661 176.300 0.270 0.000 1.114 351 D CA 0.013 54.129 54.000 0.193 0.000 0.837 351 D CB 0.044 40.946 40.800 0.170 0.000 0.984 351 D HN 0.300 nan 8.370 nan 0.000 0.505 352 Q N 1.137 121.016 119.800 0.131 0.000 2.481 352 Q HA -0.168 4.174 4.340 0.003 0.000 0.272 352 Q C 0.276 176.315 176.000 0.065 0.000 1.157 352 Q CA 1.338 57.146 55.803 0.008 0.000 0.935 352 Q CB -2.178 26.453 28.738 -0.178 0.000 1.338 352 Q HN 0.685 nan 8.270 nan 0.000 0.494 353 D N -1.211 119.270 120.400 0.135 0.000 2.347 353 D HA 0.103 4.744 4.640 0.003 0.000 0.215 353 D C 1.438 177.764 176.300 0.043 0.000 0.976 353 D CA 1.282 55.377 54.000 0.157 0.000 0.884 353 D CB 0.025 40.988 40.800 0.272 0.000 0.915 353 D HN 0.506 nan 8.370 nan 0.000 0.526 354 G N -1.012 107.743 108.800 -0.075 0.000 2.211 354 G HA2 -0.133 3.829 3.960 0.003 0.000 0.201 354 G HA3 -0.133 3.829 3.960 0.003 0.000 0.201 354 G C -0.136 174.409 174.900 -0.593 0.000 0.997 354 G CA -0.229 44.655 45.100 -0.359 0.000 0.652 354 G HN 0.262 nan 8.290 nan 0.000 0.500 355 F N 1.334 121.314 119.950 0.049 0.000 2.551 355 F HA 0.608 5.137 4.527 0.003 0.000 0.316 355 F C 0.339 176.180 175.800 0.069 0.000 1.089 355 F CA -1.341 56.695 58.000 0.060 0.000 0.915 355 F CB 1.244 40.289 39.000 0.075 0.000 1.186 355 F HN -0.158 nan 8.300 nan 0.000 0.456 356 N N 1.843 120.693 118.700 0.251 0.000 2.415 356 N HA 0.171 4.912 4.740 0.003 0.000 0.248 356 N C -0.878 174.742 175.510 0.184 0.000 1.271 356 N CA 0.173 53.324 53.050 0.169 0.000 0.913 356 N CB 0.577 39.145 38.487 0.135 0.000 1.129 356 N HN 0.563 nan 8.380 nan 0.000 0.444 357 D N 0.207 120.686 120.400 0.132 0.000 2.566 357 D HA 0.570 5.212 4.640 0.003 0.000 0.254 357 D C -0.218 176.124 176.300 0.070 0.000 1.090 357 D CA -0.304 53.778 54.000 0.135 0.000 1.034 357 D CB 2.262 43.149 40.800 0.145 0.000 1.434 357 D HN 0.286 nan 8.370 nan 0.000 0.509 358 I N -0.197 120.424 120.570 0.086 0.000 2.841 358 I HA 0.503 4.675 4.170 0.003 0.000 0.298 358 I C -1.739 174.454 176.117 0.126 0.000 1.304 358 I CA -0.576 60.723 61.300 -0.001 0.000 1.019 358 I CB 1.941 39.797 38.000 -0.239 0.000 1.282 358 I HN 0.511 nan 8.210 nan 0.000 0.432 359 A N 7.627 130.489 122.820 0.070 0.000 2.318 359 A HA 0.828 5.149 4.320 0.003 0.000 0.317 359 A C -1.126 176.519 177.584 0.101 0.000 1.159 359 A CA -0.436 51.679 52.037 0.130 0.000 0.799 359 A CB 0.799 19.833 19.000 0.057 0.000 1.194 359 A HN 0.561 nan 8.150 nan 0.000 0.479 360 I N 1.966 122.674 120.570 0.231 0.000 2.433 360 I HA 0.561 4.732 4.170 0.003 0.000 0.292 360 I C 0.405 176.585 176.117 0.104 0.000 1.001 360 I CA -0.486 60.843 61.300 0.049 0.000 1.119 360 I CB 2.099 40.029 38.000 -0.117 0.000 1.289 360 I HN 0.700 nan 8.210 nan 0.000 0.438 361 A N 4.862 127.670 122.820 -0.019 0.000 2.304 361 A HA 0.834 5.156 4.320 0.003 0.000 0.323 361 A C -0.163 177.501 177.584 0.133 0.000 1.195 361 A CA -0.536 51.543 52.037 0.069 0.000 0.826 361 A CB 1.148 20.144 19.000 -0.007 0.000 1.184 361 A HN 0.803 nan 8.150 nan 0.000 0.496 362 A N 4.203 127.213 122.820 0.317 0.000 2.801 362 A HA 0.656 4.978 4.320 0.003 0.000 0.344 362 A C -2.224 175.529 177.584 0.283 0.000 1.322 362 A CA -1.372 50.909 52.037 0.407 0.000 0.913 362 A CB 0.190 19.610 19.000 0.700 0.000 1.140 362 A HN 0.472 nan 8.150 nan 0.000 0.487 363 P HA 0.004 nan 4.420 nan 0.000 0.242 363 P C -0.256 176.850 177.300 -0.324 0.000 1.197 363 P CA 1.091 64.157 63.100 -0.057 0.000 0.765 363 P CB -0.163 31.447 31.700 -0.150 0.000 0.936 364 Y N -1.192 119.241 120.300 0.221 0.000 2.716 364 Y HA 0.496 5.048 4.550 0.002 0.000 0.260 364 Y C 1.443 177.458 175.900 0.192 0.000 1.141 364 Y CA -0.706 57.505 58.100 0.185 0.000 1.168 364 Y CB 0.324 38.888 38.460 0.173 0.000 1.189 364 Y HN -0.133 nan 8.280 nan 0.000 0.549 365 G N -0.583 108.384 108.800 0.278 0.000 2.705 365 G HA2 0.590 4.551 3.960 0.003 0.000 0.299 365 G HA3 0.590 4.551 3.960 0.003 0.000 0.299 365 G C 0.065 175.059 174.900 0.156 0.000 1.315 365 G CA -0.408 44.844 45.100 0.253 0.000 1.045 365 G HN 0.492 nan 8.290 nan 0.000 0.517 366 G N -1.200 107.680 108.800 0.132 0.000 2.722 366 G HA2 -0.058 3.903 3.960 0.003 0.000 0.686 366 G HA3 -0.058 3.903 3.960 0.003 0.000 0.686 366 G C -0.169 174.768 174.900 0.061 0.000 1.282 366 G CA -0.311 44.825 45.100 0.061 0.000 0.817 366 G HN 0.661 nan 8.290 nan 0.000 0.605 367 E N 1.666 121.888 120.200 0.037 0.000 2.502 367 E HA 0.210 4.561 4.350 0.003 0.000 0.261 367 E C 0.496 177.109 176.600 0.022 0.000 0.974 367 E CA 1.275 57.695 56.400 0.032 0.000 0.936 367 E CB 0.165 29.873 29.700 0.014 0.000 0.926 367 E HN 0.616 nan 8.360 nan 0.000 0.459 368 D N 2.592 123.014 120.400 0.035 0.000 4.543 368 D HA -0.189 4.452 4.640 0.003 0.000 0.236 368 D C -0.581 175.750 176.300 0.051 0.000 1.047 368 D CA 0.626 54.648 54.000 0.037 0.000 1.254 368 D CB -0.596 40.213 40.800 0.015 0.000 0.762 368 D HN 0.387 nan 8.370 nan 0.000 0.381 369 K N 2.058 122.509 120.400 0.085 0.000 2.256 369 K HA -0.061 4.260 4.320 0.003 0.000 0.213 369 K C 1.449 178.109 176.600 0.101 0.000 1.182 369 K CA 0.369 56.730 56.287 0.123 0.000 1.224 369 K CB 0.205 32.813 32.500 0.179 0.000 1.197 369 K HN 0.335 nan 8.250 nan 0.000 0.223 370 K N 0.537 120.967 120.400 0.050 0.000 2.323 370 K HA 0.052 4.374 4.320 0.003 0.000 0.197 370 K C 0.523 177.139 176.600 0.026 0.000 1.043 370 K CA 0.312 56.609 56.287 0.017 0.000 0.997 370 K CB 0.554 33.023 32.500 -0.052 0.000 0.807 370 K HN 0.630 nan 8.250 nan 0.000 0.497 371 G N 1.296 110.126 108.800 0.049 0.000 2.742 371 G HA2 -0.063 3.899 3.960 0.003 0.000 0.686 371 G HA3 -0.063 3.899 3.960 0.003 0.000 0.686 371 G C -1.088 173.907 174.900 0.158 0.000 1.220 371 G CA -1.009 44.178 45.100 0.146 0.000 0.783 371 G HN 0.034 nan 8.290 nan 0.000 0.646 372 I N 0.692 121.366 120.570 0.175 0.000 2.689 372 I HA 0.612 4.784 4.170 0.003 0.000 0.299 372 I C -0.057 176.076 176.117 0.027 0.000 1.059 372 I CA -1.383 59.926 61.300 0.014 0.000 1.055 372 I CB 2.453 40.312 38.000 -0.235 0.000 1.243 372 I HN 0.381 nan 8.210 nan 0.000 0.425 373 V N 5.302 125.192 119.914 -0.040 0.000 2.444 373 V HA 0.362 4.483 4.120 0.003 0.000 0.294 373 V C -1.026 174.947 176.094 -0.201 0.000 1.022 373 V CA -0.671 61.599 62.300 -0.050 0.000 0.850 373 V CB 1.319 33.147 31.823 0.009 0.000 0.992 373 V HN 0.403 nan 8.190 nan 0.000 0.426 374 Y N 4.935 125.309 120.300 0.124 0.000 2.308 374 Y HA 0.663 5.214 4.550 0.002 0.000 0.329 374 Y C 0.089 175.948 175.900 -0.068 0.000 1.111 374 Y CA -0.734 57.366 58.100 -0.000 0.000 1.179 374 Y CB 1.614 40.204 38.460 0.217 0.000 1.201 374 Y HN 0.615 nan 8.280 nan 0.000 0.483 375 I N 3.535 124.012 120.570 -0.156 0.000 2.436 375 I HA 0.581 4.753 4.170 0.003 0.000 0.289 375 I C -1.974 174.008 176.117 -0.226 0.000 1.010 375 I CA -1.209 60.054 61.300 -0.062 0.000 1.098 375 I CB 0.231 38.219 38.000 -0.021 0.000 1.266 375 I HN 0.294 nan 8.210 nan 0.000 0.434 376 F N 5.149 125.193 119.950 0.156 0.000 2.507 376 F HA 0.536 5.064 4.527 0.002 0.000 0.325 376 F C 0.147 176.035 175.800 0.146 0.000 1.116 376 F CA -0.561 57.539 58.000 0.167 0.000 0.930 376 F CB 1.426 40.536 39.000 0.184 0.000 1.146 376 F HN 0.429 nan 8.300 nan 0.000 0.447 377 N N 0.641 119.526 118.700 0.308 0.000 2.499 377 N HA 0.502 5.243 4.740 0.003 0.000 0.281 377 N C 0.197 175.835 175.510 0.215 0.000 1.098 377 N CA -0.342 52.858 53.050 0.249 0.000 0.979 377 N CB 1.167 39.799 38.487 0.242 0.000 1.121 377 N HN 0.814 nan 8.380 nan 0.000 0.466 378 G N 0.740 109.660 108.800 0.199 0.000 2.507 378 G HA2 0.486 4.447 3.960 0.003 0.000 0.271 378 G HA3 0.486 4.447 3.960 0.003 0.000 0.271 378 G C -0.438 174.436 174.900 -0.042 0.000 1.189 378 G CA -0.397 44.786 45.100 0.139 0.000 0.859 378 G HN 0.656 nan 8.290 nan 0.000 0.542 379 R N -1.315 119.009 120.500 -0.293 0.000 2.734 379 R HA 0.407 4.748 4.340 0.003 0.000 0.271 379 R C 1.118 176.895 176.300 -0.871 0.000 1.021 379 R CA 0.109 55.707 56.100 -0.836 0.000 0.893 379 R CB 0.593 30.647 30.300 -0.411 0.000 1.244 379 R HN 0.659 nan 8.270 nan 0.000 0.464 380 S N 0.440 115.471 115.700 -1.116 0.000 2.380 380 S HA -0.214 4.258 4.470 0.003 0.000 0.229 380 S C 1.414 175.931 174.600 -0.138 0.000 1.043 380 S CA 2.156 60.151 58.200 -0.341 0.000 1.038 380 S CB -0.789 62.360 63.200 -0.085 0.000 0.872 380 S HN 0.708 nan 8.310 nan 0.000 0.456 381 T N 1.338 115.799 114.554 -0.154 0.000 2.788 381 T HA 0.407 4.759 4.350 0.003 0.000 0.268 381 T C 1.139 175.815 174.700 -0.040 0.000 1.044 381 T CA 1.203 63.262 62.100 -0.069 0.000 1.139 381 T CB -0.853 67.977 68.868 -0.062 0.000 0.867 381 T HN 1.010 nan 8.240 nan 0.000 0.454 382 G N 0.087 108.854 108.800 -0.055 0.000 2.339 382 G HA2 0.295 4.256 3.960 0.003 0.000 0.275 382 G HA3 0.295 4.256 3.960 0.003 0.000 0.275 382 G C -1.956 172.958 174.900 0.023 0.000 1.323 382 G CA -0.822 44.279 45.100 0.002 0.000 0.927 382 G HN 0.307 nan 8.290 nan 0.000 0.486 383 L N 1.343 122.615 121.223 0.082 0.000 2.380 383 L HA 0.554 4.895 4.340 0.003 0.000 0.273 383 L C 0.556 177.497 176.870 0.120 0.000 1.138 383 L CA -0.800 54.123 54.840 0.138 0.000 0.832 383 L CB 0.968 43.149 42.059 0.202 0.000 1.124 383 L HN 0.617 nan 8.230 nan 0.000 0.454 384 N N 3.554 122.348 118.700 0.157 0.000 2.416 384 N HA 0.095 4.837 4.740 0.003 0.000 0.265 384 N C 0.592 176.276 175.510 0.289 0.000 1.195 384 N CA 0.644 53.799 53.050 0.174 0.000 0.943 384 N CB 1.495 40.080 38.487 0.163 0.000 1.115 384 N HN 0.828 nan 8.380 nan 0.000 0.481 385 A N 3.793 126.749 122.820 0.227 0.000 2.066 385 A HA 0.004 4.325 4.320 0.003 0.000 0.218 385 A C 0.763 178.608 177.584 0.435 0.000 1.157 385 A CA 0.482 52.679 52.037 0.268 0.000 0.670 385 A CB 0.081 19.159 19.000 0.130 0.000 0.804 385 A HN 0.447 nan 8.150 nan 0.000 0.453 386 V N 3.279 123.387 119.914 0.323 0.000 2.405 386 V HA 0.187 4.308 4.120 0.003 0.000 0.264 386 V C -2.209 174.009 176.094 0.206 0.000 1.048 386 V CA -1.610 60.848 62.300 0.263 0.000 0.966 386 V CB 0.554 32.474 31.823 0.162 0.000 1.015 386 V HN 0.297 nan 8.190 nan 0.000 0.477 387 P HA 0.096 nan 4.420 nan 0.000 0.271 387 P C 0.703 177.912 177.300 -0.151 0.000 1.216 387 P CA -0.002 62.860 63.100 -0.396 0.000 0.771 387 P CB 1.075 32.337 31.700 -0.729 0.000 0.864 388 S N 1.449 117.097 115.700 -0.087 0.000 2.528 388 S HA 0.016 4.488 4.470 0.003 0.000 0.219 388 S C 0.583 175.207 174.600 0.041 0.000 0.985 388 S CA 0.134 58.355 58.200 0.035 0.000 0.914 388 S CB -0.170 63.128 63.200 0.163 0.000 0.776 388 S HN 0.661 nan 8.310 nan 0.000 0.526 389 Q N -0.400 119.375 119.800 -0.042 0.000 2.479 389 Q HA 0.570 4.912 4.340 0.003 0.000 0.276 389 Q C -2.270 173.661 176.000 -0.116 0.000 0.989 389 Q CA -0.721 55.053 55.803 -0.047 0.000 0.864 389 Q CB 1.463 30.194 28.738 -0.012 0.000 1.444 389 Q HN 0.441 nan 8.270 nan 0.000 0.388 390 I N 3.974 124.463 120.570 -0.135 0.000 2.448 390 I HA 0.271 4.442 4.170 0.003 0.000 0.281 390 I C -0.898 175.090 176.117 -0.215 0.000 1.027 390 I CA -0.879 60.290 61.300 -0.218 0.000 1.111 390 I CB 1.346 39.217 38.000 -0.215 0.000 1.236 390 I HN 0.452 nan 8.210 nan 0.000 0.452 391 L N 5.623 126.710 121.223 -0.228 0.000 2.313 391 L HA 0.325 4.667 4.340 0.003 0.000 0.282 391 L C 0.293 177.068 176.870 -0.160 0.000 1.092 391 L CA 0.119 54.829 54.840 -0.217 0.000 0.831 391 L CB 0.405 42.294 42.059 -0.284 0.000 1.159 391 L HN 0.597 nan 8.230 nan 0.000 0.442 392 E N 1.119 121.184 120.200 -0.225 0.000 2.216 392 E HA 0.489 4.840 4.350 0.003 0.000 0.279 392 E C 0.308 176.539 176.600 -0.615 0.000 0.997 392 E CA -0.343 55.873 56.400 -0.307 0.000 0.817 392 E CB 1.397 30.958 29.700 -0.232 0.000 1.096 392 E HN 0.729 nan 8.360 nan 0.000 0.393 393 G N 1.989 110.305 108.800 -0.807 0.000 2.491 393 G HA2 -0.010 3.951 3.960 0.003 0.000 0.238 393 G HA3 -0.010 3.951 3.960 0.003 0.000 0.238 393 G C 0.271 174.807 174.900 -0.607 0.000 1.277 393 G CA -0.089 44.346 45.100 -1.109 0.000 0.851 393 G HN 0.522 nan 8.290 nan 0.000 0.573 394 Q N 0.532 119.964 119.800 -0.613 0.000 2.391 394 Q HA 0.152 4.494 4.340 0.003 0.000 0.243 394 Q C -0.208 175.385 176.000 -0.677 0.000 0.874 394 Q CA 0.146 55.531 55.803 -0.697 0.000 0.950 394 Q CB 0.417 28.580 28.738 -0.958 0.000 1.103 394 Q HN 0.672 nan 8.270 nan 0.000 0.544 395 W N 1.012 122.268 121.300 -0.074 0.000 2.429 395 W HA 0.772 5.433 4.660 0.002 0.000 0.314 395 W C -0.108 176.398 176.519 -0.023 0.000 1.062 395 W CA -1.077 56.252 57.345 -0.026 0.000 1.211 395 W CB 0.914 30.380 29.460 0.011 0.000 1.305 395 W HN -0.008 nan 8.180 nan 0.000 0.476 396 A N 2.370 125.307 122.820 0.196 0.000 2.332 396 A HA 0.746 5.067 4.320 0.003 0.000 0.258 396 A C 0.221 177.878 177.584 0.122 0.000 1.087 396 A CA -0.516 51.590 52.037 0.115 0.000 0.802 396 A CB 0.121 19.168 19.000 0.078 0.000 1.042 396 A HN 0.826 nan 8.150 nan 0.000 0.489 397 A N 0.529 123.399 122.820 0.084 0.000 2.462 397 A HA 0.366 4.687 4.320 0.003 0.000 0.243 397 A C 1.205 178.827 177.584 0.063 0.000 1.076 397 A CA -0.222 51.856 52.037 0.069 0.000 0.773 397 A CB 0.079 19.115 19.000 0.061 0.000 1.010 397 A HN 0.864 nan 8.150 nan 0.000 0.493 398 R N 0.979 121.512 120.500 0.055 0.000 2.127 398 R HA 0.016 4.357 4.340 0.003 0.000 0.217 398 R C 1.365 177.694 176.300 0.047 0.000 1.074 398 R CA 1.437 57.566 56.100 0.048 0.000 0.991 398 R CB 0.041 30.366 30.300 0.042 0.000 0.895 398 R HN 0.873 nan 8.270 nan 0.000 0.450 399 S N -1.135 114.597 115.700 0.053 0.000 6.091 399 S HA 0.039 4.510 4.470 0.003 0.000 0.111 399 S C 0.063 174.700 174.600 0.060 0.000 1.151 399 S CA -0.532 57.701 58.200 0.055 0.000 1.412 399 S CB -0.516 62.720 63.200 0.060 0.000 2.012 399 S HN 0.091 nan 8.310 nan 0.000 0.574 400 M N 4.181 123.823 119.600 0.069 0.000 2.248 400 M HA 0.368 4.849 4.480 0.003 0.000 0.337 400 M C -2.299 174.024 176.300 0.039 0.000 1.121 400 M CA -1.681 53.659 55.300 0.067 0.000 1.155 400 M CB 0.739 33.390 32.600 0.084 0.000 1.514 400 M HN 0.246 nan 8.290 nan 0.000 0.452 401 P HA 0.049 nan 4.420 nan 0.000 0.264 401 P C -2.398 174.856 177.300 -0.077 0.000 1.183 401 P CA -0.867 62.280 63.100 0.078 0.000 0.763 401 P CB -0.352 31.526 31.700 0.298 0.000 0.807 402 P HA -0.148 nan 4.420 nan 0.000 0.219 402 P C 0.210 177.374 177.300 -0.227 0.000 1.146 402 P CA 0.988 64.036 63.100 -0.086 0.000 0.808 402 P CB -0.284 31.457 31.700 0.068 0.000 0.779 403 S N -1.839 113.690 115.700 -0.284 0.000 3.682 403 S HA -0.229 4.243 4.470 0.003 0.000 0.354 403 S C 0.047 174.588 174.600 -0.099 0.000 1.034 403 S CA 0.004 57.949 58.200 -0.424 0.000 1.084 403 S CB -2.795 60.005 63.200 -0.668 0.000 0.903 403 S HN 0.363 nan 8.310 nan 0.000 0.470 404 F N 1.817 121.699 119.950 -0.113 0.000 2.571 404 F HA 0.431 4.959 4.527 0.003 0.000 0.384 404 F C 1.355 177.166 175.800 0.020 0.000 1.058 404 F CA 1.354 59.364 58.000 0.016 0.000 1.200 404 F CB 0.094 39.125 39.000 0.052 0.000 1.077 404 F HN 0.445 nan 8.300 nan 0.000 0.558 405 G N 4.520 113.057 108.800 -0.439 0.000 2.194 405 G HA2 -0.407 3.555 3.960 0.003 0.000 0.236 405 G HA3 -0.407 3.555 3.960 0.003 0.000 0.236 405 G C 0.739 175.596 174.900 -0.071 0.000 0.987 405 G CA 0.302 45.227 45.100 -0.293 0.000 0.635 405 G HN 0.789 nan 8.290 nan 0.000 0.520 406 Y N 2.310 122.559 120.300 -0.085 0.000 2.333 406 Y HA 0.221 4.773 4.550 0.002 0.000 0.290 406 Y C 1.647 177.511 175.900 -0.060 0.000 1.144 406 Y CA 2.297 60.410 58.100 0.021 0.000 1.228 406 Y CB 0.188 38.763 38.460 0.192 0.000 0.985 406 Y HN 0.744 nan 8.280 nan 0.000 0.542 407 S N -0.453 115.246 115.700 -0.002 0.000 2.549 407 S HA 0.748 5.219 4.470 0.003 0.000 0.280 407 S C -0.967 173.556 174.600 -0.127 0.000 1.109 407 S CA -0.916 57.211 58.200 -0.122 0.000 0.905 407 S CB 2.359 65.470 63.200 -0.149 0.000 1.081 407 S HN 0.151 nan 8.310 nan 0.000 0.477 408 M N 1.281 120.809 119.600 -0.121 0.000 2.578 408 M HA 0.625 5.106 4.480 0.003 0.000 0.276 408 M C -1.530 174.735 176.300 -0.058 0.000 1.245 408 M CA -0.648 54.596 55.300 -0.093 0.000 0.871 408 M CB 2.715 35.268 32.600 -0.078 0.000 1.722 408 M HN 0.745 nan 8.290 nan 0.000 0.473 409 K N 0.108 120.496 120.400 -0.020 0.000 2.543 409 K HA 0.834 5.156 4.320 0.003 0.000 0.255 409 K C -1.146 175.612 176.600 0.263 0.000 0.934 409 K CA -0.260 56.074 56.287 0.078 0.000 0.810 409 K CB 2.225 34.742 32.500 0.029 0.000 1.315 409 K HN 0.811 nan 8.250 nan 0.000 0.433 410 G N 0.614 109.594 108.800 0.299 0.000 3.247 410 G HA2 0.589 4.551 3.960 0.003 0.000 0.199 410 G HA3 0.589 4.551 3.960 0.003 0.000 0.199 410 G C -0.343 174.607 174.900 0.083 0.000 1.172 410 G CA -0.073 45.192 45.100 0.275 0.000 0.844 410 G HN 1.313 nan 8.290 nan 0.000 0.619 411 A N -1.855 120.939 122.820 -0.043 0.000 2.979 411 A HA -0.090 4.232 4.320 0.003 0.000 0.260 411 A C 0.569 177.976 177.584 -0.294 0.000 1.282 411 A CA 1.799 53.763 52.037 -0.121 0.000 0.971 411 A CB -2.305 16.662 19.000 -0.054 0.000 1.124 411 A HN 1.555 nan 8.150 nan 0.000 0.826 412 T N 0.529 114.740 114.554 -0.572 0.000 2.985 412 T HA 0.422 4.774 4.350 0.003 0.000 0.315 412 T C -0.774 173.540 174.700 -0.643 0.000 1.001 412 T CA 0.109 61.730 62.100 -0.800 0.000 1.016 412 T CB 1.283 69.236 68.868 -1.526 0.000 0.993 412 T HN 0.413 nan 8.240 nan 0.000 0.454 413 D N 3.268 123.447 120.400 -0.369 0.000 2.441 413 D HA 0.075 4.717 4.640 0.003 0.000 0.243 413 D C 1.047 177.166 176.300 -0.303 0.000 1.257 413 D CA -0.253 53.592 54.000 -0.258 0.000 1.027 413 D CB -0.006 40.691 40.800 -0.172 0.000 1.084 413 D HN 0.555 nan 8.370 nan 0.000 0.514 414 I N 1.973 122.329 120.570 -0.356 0.000 2.676 414 I HA -0.131 4.041 4.170 0.003 0.000 0.259 414 I C 0.658 176.378 176.117 -0.662 0.000 1.194 414 I CA 0.582 61.617 61.300 -0.441 0.000 1.473 414 I CB 0.138 37.896 38.000 -0.404 0.000 1.096 414 I HN 0.434 nan 8.210 nan 0.000 0.443 415 D N -0.815 119.242 120.400 -0.572 0.000 2.589 415 D HA 0.057 4.698 4.640 0.003 0.000 0.268 415 D C 0.916 177.128 176.300 -0.146 0.000 1.182 415 D CA -0.471 53.268 54.000 -0.436 0.000 1.087 415 D CB 0.478 41.105 40.800 -0.290 0.000 1.186 415 D HN -0.181 nan 8.370 nan 0.000 0.620 416 K N -0.509 119.880 120.400 -0.017 0.000 2.021 416 K HA -0.049 4.273 4.320 0.003 0.000 0.205 416 K C 0.391 176.996 176.600 0.008 0.000 1.047 416 K CA 0.410 56.699 56.287 0.003 0.000 0.943 416 K CB -0.448 32.079 32.500 0.044 0.000 0.725 416 K HN 0.603 nan 8.250 nan 0.000 0.439 417 N N -0.676 118.056 118.700 0.053 0.000 2.293 417 N HA -0.075 4.667 4.740 0.003 0.000 0.253 417 N C 0.405 175.983 175.510 0.113 0.000 1.248 417 N CA 0.395 53.518 53.050 0.123 0.000 0.845 417 N CB 0.880 39.477 38.487 0.184 0.000 1.073 417 N HN 0.151 nan 8.380 nan 0.000 0.464 418 G N 1.220 110.048 108.800 0.046 0.000 3.356 418 G HA2 0.055 4.016 3.960 0.003 0.000 0.239 418 G HA3 0.055 4.016 3.960 0.003 0.000 0.239 418 G C -1.057 173.598 174.900 -0.409 0.000 1.252 418 G CA -0.096 44.889 45.100 -0.190 0.000 1.611 418 G HN 0.608 nan 8.290 nan 0.000 0.580 419 Y N -0.587 119.673 120.300 -0.067 0.000 2.406 419 Y HA 0.384 4.935 4.550 0.003 0.000 0.340 419 Y C -2.236 173.610 175.900 -0.090 0.000 0.975 419 Y CA -2.842 55.217 58.100 -0.068 0.000 1.056 419 Y CB 2.469 40.894 38.460 -0.057 0.000 1.210 419 Y HN -0.018 nan 8.280 nan 0.000 0.448 420 P HA 0.115 nan 4.420 nan 0.000 0.272 420 P C -0.776 176.525 177.300 0.002 0.000 1.223 420 P CA 0.019 63.089 63.100 -0.051 0.000 0.784 420 P CB 1.082 32.745 31.700 -0.062 0.000 0.923 421 D N 0.482 120.867 120.400 -0.024 0.000 2.621 421 D HA 0.601 5.242 4.640 0.003 0.000 0.255 421 D C -0.838 175.597 176.300 0.225 0.000 1.122 421 D CA -0.100 53.957 54.000 0.097 0.000 1.096 421 D CB 0.952 41.804 40.800 0.087 0.000 1.282 421 D HN 0.113 nan 8.370 nan 0.000 0.619 422 L N 0.414 121.813 121.223 0.293 0.000 2.464 422 L HA 0.466 4.807 4.340 0.003 0.000 0.266 422 L C -1.535 175.479 176.870 0.239 0.000 0.965 422 L CA -0.435 54.576 54.840 0.285 0.000 0.833 422 L CB 1.541 43.724 42.059 0.206 0.000 1.296 422 L HN 0.326 nan 8.230 nan 0.000 0.405 423 I N 5.332 125.957 120.570 0.092 0.000 2.336 423 I HA 0.528 4.699 4.170 0.003 0.000 0.292 423 I C -0.605 175.507 176.117 -0.010 0.000 0.991 423 I CA -0.901 60.373 61.300 -0.042 0.000 1.227 423 I CB 1.649 39.467 38.000 -0.303 0.000 1.366 423 I HN 0.249 nan 8.210 nan 0.000 0.466 424 V N 4.761 124.689 119.914 0.024 0.000 2.555 424 V HA 0.626 4.748 4.120 0.003 0.000 0.302 424 V C 0.521 176.544 176.094 -0.117 0.000 1.038 424 V CA -0.576 61.647 62.300 -0.128 0.000 0.887 424 V CB 1.700 33.343 31.823 -0.299 0.000 0.991 424 V HN 0.901 nan 8.190 nan 0.000 0.434 425 G N 2.447 111.161 108.800 -0.143 0.000 2.356 425 G HA2 0.629 4.591 3.960 0.003 0.000 0.322 425 G HA3 0.629 4.591 3.960 0.003 0.000 0.322 425 G C -0.338 174.580 174.900 0.030 0.000 1.125 425 G CA -0.292 44.790 45.100 -0.031 0.000 0.885 425 G HN 1.136 nan 8.290 nan 0.000 0.467 426 A N 2.601 125.517 122.820 0.160 0.000 2.842 426 A HA 0.484 4.805 4.320 0.003 0.000 0.339 426 A C 0.519 178.197 177.584 0.156 0.000 1.177 426 A CA -0.702 51.448 52.037 0.188 0.000 0.797 426 A CB -0.146 19.071 19.000 0.362 0.000 1.094 426 A HN 1.117 nan 8.150 nan 0.000 0.474 427 F N 0.454 120.457 119.950 0.089 0.000 2.325 427 F HA 0.161 4.689 4.527 0.003 0.000 0.299 427 F C 1.562 177.407 175.800 0.075 0.000 1.090 427 F CA 1.247 59.306 58.000 0.098 0.000 1.392 427 F CB -0.456 38.599 39.000 0.091 0.000 1.053 427 F HN 0.351 nan 8.300 nan 0.000 0.521 428 G N 0.709 109.104 108.800 -0.675 0.000 2.509 428 G HA2 -0.064 3.898 3.960 0.003 0.000 0.218 428 G HA3 -0.064 3.898 3.960 0.003 0.000 0.218 428 G C 1.079 175.941 174.900 -0.064 0.000 1.124 428 G CA 1.150 46.002 45.100 -0.414 0.000 0.776 428 G HN 0.616 nan 8.290 nan 0.000 0.547 429 V N -3.294 116.619 119.914 -0.001 0.000 3.070 429 V HA 0.267 4.388 4.120 0.003 0.000 0.345 429 V C -0.042 176.070 176.094 0.030 0.000 1.403 429 V CA -0.305 62.007 62.300 0.020 0.000 1.155 429 V CB -0.245 31.590 31.823 0.019 0.000 1.140 429 V HN 0.183 nan 8.190 nan 0.000 0.505 430 D N 0.893 121.387 120.400 0.157 0.000 2.686 430 D HA -0.201 4.440 4.640 0.003 0.000 0.235 430 D C 0.343 176.808 176.300 0.275 0.000 1.160 430 D CA 1.041 55.199 54.000 0.263 0.000 0.645 430 D CB -0.330 40.546 40.800 0.128 0.000 1.039 430 D HN 0.632 nan 8.370 nan 0.000 0.423 431 R N -0.459 120.246 120.500 0.341 0.000 2.837 431 R HA 0.809 5.151 4.340 0.003 0.000 0.271 431 R C -0.846 175.719 176.300 0.442 0.000 0.993 431 R CA -0.461 55.842 56.100 0.338 0.000 0.931 431 R CB 2.087 32.394 30.300 0.012 0.000 1.206 431 R HN 0.125 nan 8.270 nan 0.000 0.474 432 A N 2.455 125.570 122.820 0.492 0.000 2.486 432 A HA 0.707 5.029 4.320 0.003 0.000 0.300 432 A C -1.261 176.533 177.584 0.349 0.000 1.048 432 A CA -0.610 51.604 52.037 0.296 0.000 0.696 432 A CB 1.059 20.115 19.000 0.093 0.000 1.278 432 A HN 0.591 nan 8.150 nan 0.000 0.405 433 I N 2.261 122.980 120.570 0.248 0.000 2.466 433 I HA 0.339 4.510 4.170 0.003 0.000 0.289 433 I C -1.031 175.127 176.117 0.068 0.000 1.026 433 I CA -0.801 60.614 61.300 0.191 0.000 1.078 433 I CB 1.918 40.016 38.000 0.164 0.000 1.249 433 I HN 0.567 nan 8.210 nan 0.000 0.429 434 L N 7.800 129.086 121.223 0.105 0.000 2.257 434 L HA 0.425 4.766 4.340 0.003 0.000 0.290 434 L C -1.334 175.528 176.870 -0.012 0.000 1.044 434 L CA 0.047 54.949 54.840 0.104 0.000 0.810 434 L CB 0.177 42.385 42.059 0.247 0.000 1.193 434 L HN 0.296 nan 8.230 nan 0.000 0.425 435 Y N 5.132 125.533 120.300 0.169 0.000 2.328 435 Y HA 0.539 5.090 4.550 0.002 0.000 0.337 435 Y C 0.295 176.263 175.900 0.114 0.000 1.008 435 Y CA -0.552 57.631 58.100 0.138 0.000 1.129 435 Y CB 0.995 39.524 38.460 0.115 0.000 1.185 435 Y HN 0.534 nan 8.280 nan 0.000 0.476 436 R N 2.087 122.728 120.500 0.236 0.000 2.445 436 R HA 0.859 5.200 4.340 0.003 0.000 0.308 436 R C -0.923 175.429 176.300 0.087 0.000 0.961 436 R CA -0.952 55.233 56.100 0.141 0.000 0.862 436 R CB 1.388 31.762 30.300 0.124 0.000 1.144 436 R HN 0.669 nan 8.270 nan 0.000 0.447 437 A N 3.942 126.786 122.820 0.040 0.000 2.425 437 A HA 0.272 4.594 4.320 0.003 0.000 0.249 437 A C -0.057 177.436 177.584 -0.152 0.000 1.084 437 A CA -0.451 51.558 52.037 -0.047 0.000 0.781 437 A CB 0.313 19.310 19.000 -0.004 0.000 1.019 437 A HN 0.801 nan 8.150 nan 0.000 0.490 438 R N 1.924 122.273 120.500 -0.252 0.000 2.500 438 R HA 0.419 4.761 4.340 0.003 0.000 0.277 438 R C -2.641 173.274 176.300 -0.642 0.000 1.026 438 R CA -1.678 54.241 56.100 -0.302 0.000 1.058 438 R CB 0.416 30.604 30.300 -0.187 0.000 1.078 438 R HN 0.436 nan 8.270 nan 0.000 0.509 439 P HA 0.020 nan 4.420 nan 0.000 0.271 439 P C -0.856 176.241 177.300 -0.339 0.000 1.216 439 P CA -0.083 62.625 63.100 -0.654 0.000 0.776 439 P CB 0.679 32.277 31.700 -0.171 0.000 0.881 440 V N 4.813 124.611 119.914 -0.194 0.000 2.483 440 V HA 0.481 4.602 4.120 0.003 0.000 0.295 440 V C 0.414 176.605 176.094 0.163 0.000 1.035 440 V CA -0.456 61.879 62.300 0.058 0.000 0.896 440 V CB 1.140 33.063 31.823 0.167 0.000 0.986 440 V HN 0.364 nan 8.190 nan 0.000 0.447 441 I N 1.073 121.750 120.570 0.178 0.000 2.608 441 I HA 0.649 4.821 4.170 0.003 0.000 0.295 441 I C -0.399 175.839 176.117 0.202 0.000 1.049 441 I CA -0.507 60.904 61.300 0.185 0.000 1.063 441 I CB 2.321 40.432 38.000 0.185 0.000 1.248 441 I HN 0.375 nan 8.210 nan 0.000 0.424 442 T N 5.072 119.729 114.554 0.172 0.000 2.756 442 T HA 0.485 4.837 4.350 0.003 0.000 0.290 442 T C -0.057 174.714 174.700 0.118 0.000 0.985 442 T CA -0.543 61.648 62.100 0.153 0.000 0.955 442 T CB 1.376 70.321 68.868 0.128 0.000 0.930 442 T HN 0.571 nan 8.240 nan 0.000 0.451 443 V N 1.849 121.831 119.914 0.113 0.000 2.532 443 V HA 0.714 4.835 4.120 0.003 0.000 0.295 443 V C -0.616 175.458 176.094 -0.033 0.000 1.041 443 V CA -0.960 61.337 62.300 -0.005 0.000 0.926 443 V CB 1.634 33.403 31.823 -0.091 0.000 0.992 443 V HN 0.691 nan 8.190 nan 0.000 0.457 444 N N 3.423 122.058 118.700 -0.107 0.000 2.569 444 N HA 0.648 5.389 4.740 0.003 0.000 0.254 444 N C -0.282 175.127 175.510 -0.168 0.000 1.004 444 N CA -0.001 53.000 53.050 -0.082 0.000 0.904 444 N CB 1.712 40.175 38.487 -0.040 0.000 1.165 444 N HN 1.134 nan 8.380 nan 0.000 0.513 445 A N 1.044 123.753 122.820 -0.185 0.000 2.331 445 A HA 0.766 5.088 4.320 0.003 0.000 0.283 445 A C 0.680 178.213 177.584 -0.086 0.000 1.142 445 A CA -0.465 51.431 52.037 -0.236 0.000 0.812 445 A CB 0.433 19.260 19.000 -0.289 0.000 1.074 445 A HN 0.513 nan 8.150 nan 0.000 0.497 446 G N 0.090 108.852 108.800 -0.063 0.000 2.420 446 G HA2 0.612 4.573 3.960 0.003 0.000 0.331 446 G HA3 0.612 4.573 3.960 0.003 0.000 0.331 446 G C -1.380 173.544 174.900 0.040 0.000 1.168 446 G CA -0.383 44.714 45.100 -0.005 0.000 0.936 446 G HN 1.006 nan 8.290 nan 0.000 0.479 447 L N 0.084 121.341 121.223 0.057 0.000 2.505 447 L HA 0.794 5.136 4.340 0.003 0.000 0.259 447 L C -0.924 176.002 176.870 0.093 0.000 0.952 447 L CA -0.571 54.325 54.840 0.093 0.000 0.840 447 L CB 2.414 44.525 42.059 0.086 0.000 1.358 447 L HN 0.697 nan 8.230 nan 0.000 0.409 448 E N 2.631 122.905 120.200 0.124 0.000 2.378 448 E HA 0.596 4.947 4.350 0.003 0.000 0.283 448 E C -1.830 174.885 176.600 0.193 0.000 0.979 448 E CA -0.735 55.750 56.400 0.141 0.000 0.795 448 E CB 2.184 31.986 29.700 0.170 0.000 1.221 448 E HN 0.501 nan 8.360 nan 0.000 0.428 449 V N 2.397 122.416 119.914 0.174 0.000 2.304 449 V HA 0.311 4.433 4.120 0.003 0.000 0.278 449 V C 0.626 176.856 176.094 0.227 0.000 1.018 449 V CA -0.521 61.915 62.300 0.226 0.000 0.814 449 V CB 0.236 32.149 31.823 0.149 0.000 1.021 449 V HN 0.852 nan 8.190 nan 0.000 0.440 450 Y N 3.580 123.936 120.300 0.094 0.000 2.114 450 Y HA -0.029 4.522 4.550 0.002 0.000 0.282 450 Y C -0.663 175.272 175.900 0.059 0.000 1.165 450 Y CA 1.610 59.748 58.100 0.064 0.000 1.148 450 Y CB -0.394 38.101 38.460 0.059 0.000 0.972 450 Y HN 0.560 nan 8.280 nan 0.000 0.504 451 P HA 0.090 nan 4.420 nan 0.000 0.280 451 P C 0.088 177.391 177.300 0.005 0.000 1.386 451 P CA 0.257 63.426 63.100 0.115 0.000 0.899 451 P CB 1.672 33.476 31.700 0.173 0.000 1.098 452 S N 3.783 119.461 115.700 -0.036 0.000 2.348 452 S HA 0.034 4.505 4.470 0.003 0.000 0.219 452 S C 0.959 175.459 174.600 -0.166 0.000 1.033 452 S CA 0.461 58.600 58.200 -0.102 0.000 0.974 452 S CB -0.137 63.028 63.200 -0.059 0.000 0.868 452 S HN 0.222 nan 8.310 nan 0.000 0.459 453 I N 3.366 123.874 120.570 -0.104 0.000 2.371 453 I HA 0.305 4.476 4.170 0.003 0.000 0.290 453 I C -0.441 175.630 176.117 -0.077 0.000 1.028 453 I CA -0.158 61.075 61.300 -0.111 0.000 1.345 453 I CB 0.873 38.851 38.000 -0.037 0.000 1.407 453 I HN 0.295 nan 8.210 nan 0.000 0.501 454 L N 6.506 127.666 121.223 -0.105 0.000 2.257 454 L HA 0.345 4.687 4.340 0.003 0.000 0.290 454 L C 0.400 177.282 176.870 0.019 0.000 1.044 454 L CA -0.483 54.324 54.840 -0.055 0.000 0.810 454 L CB 0.809 42.792 42.059 -0.127 0.000 1.193 454 L HN 0.512 nan 8.230 nan 0.000 0.425 455 N N 2.795 121.526 118.700 0.052 0.000 2.414 455 N HA 0.110 4.851 4.740 0.003 0.000 0.256 455 N C 0.577 176.138 175.510 0.085 0.000 1.029 455 N CA -0.062 53.029 53.050 0.067 0.000 0.948 455 N CB 1.489 40.015 38.487 0.064 0.000 1.102 455 N HN 0.580 nan 8.380 nan 0.000 0.496 456 Q N 1.814 121.670 119.800 0.094 0.000 2.291 456 Q HA -0.140 4.202 4.340 0.003 0.000 0.205 456 Q C 0.533 176.586 176.000 0.087 0.000 0.970 456 Q CA 1.289 57.159 55.803 0.112 0.000 0.876 456 Q CB 0.165 28.976 28.738 0.121 0.000 0.935 456 Q HN 0.674 nan 8.270 nan 0.000 0.455 457 D N 0.339 120.780 120.400 0.068 0.000 2.162 457 D HA -0.105 4.536 4.640 0.003 0.000 0.203 457 D C 0.469 176.802 176.300 0.055 0.000 0.967 457 D CA 0.276 54.308 54.000 0.053 0.000 0.840 457 D CB 0.078 40.903 40.800 0.042 0.000 0.972 457 D HN -0.023 nan 8.370 nan 0.000 0.482 458 N N 1.188 119.925 118.700 0.062 0.000 2.410 458 N HA -0.023 4.718 4.740 0.003 0.000 0.281 458 N C -1.178 174.375 175.510 0.072 0.000 1.241 458 N CA 0.321 53.408 53.050 0.063 0.000 0.998 458 N CB -0.052 38.476 38.487 0.068 0.000 1.376 458 N HN 0.121 nan 8.380 nan 0.000 0.490 459 K N 2.447 122.882 120.400 0.058 0.000 2.432 459 K HA 0.199 4.520 4.320 0.003 0.000 0.226 459 K C 0.646 177.270 176.600 0.039 0.000 1.057 459 K CA -0.398 55.922 56.287 0.055 0.000 1.034 459 K CB 0.874 33.401 32.500 0.046 0.000 1.561 459 K HN 0.333 nan 8.250 nan 0.000 0.492 460 T N -0.011 114.570 114.554 0.045 0.000 2.818 460 T HA -0.067 4.284 4.350 0.003 0.000 0.246 460 T C 1.265 175.974 174.700 0.016 0.000 1.036 460 T CA 0.378 62.498 62.100 0.033 0.000 1.160 460 T CB -0.091 68.803 68.868 0.045 0.000 0.869 460 T HN 0.744 nan 8.240 nan 0.000 0.419 461 c N 3.998 122.606 118.600 0.014 0.000 2.534 461 c HA 0.737 5.309 4.570 0.003 0.000 0.385 461 c C 0.760 174.821 174.090 -0.049 0.000 1.264 461 c CA -1.528 54.793 56.329 -0.013 0.000 2.342 461 c CB -0.177 42.327 42.510 -0.010 0.000 2.564 461 c HN 0.522 nan 8.230 nan 0.000 0.603 462 S N 3.376 119.030 115.700 -0.075 0.000 2.578 462 S HA 0.540 5.011 4.470 0.003 0.000 0.283 462 S C -0.584 173.903 174.600 -0.189 0.000 1.195 462 S CA -0.745 57.389 58.200 -0.110 0.000 1.050 462 S CB 0.989 64.139 63.200 -0.083 0.000 1.012 462 S HN 1.040 nan 8.310 nan 0.000 0.511 463 L N 3.548 124.631 121.223 -0.235 0.000 2.367 463 L HA 0.296 4.638 4.340 0.003 0.000 0.275 463 L C -1.260 175.451 176.870 -0.264 0.000 1.129 463 L CA -1.977 52.661 54.840 -0.336 0.000 0.839 463 L CB 1.115 42.945 42.059 -0.382 0.000 1.133 463 L HN 0.547 nan 8.230 nan 0.000 0.453 464 P HA -0.128 nan 4.420 nan 0.000 0.214 464 P C 1.236 178.451 177.300 -0.143 0.000 1.163 464 P CA 1.716 64.662 63.100 -0.256 0.000 0.883 464 P CB 0.039 31.515 31.700 -0.373 0.000 0.788 465 G N -0.329 108.397 108.800 -0.124 0.000 2.414 465 G HA2 -0.122 3.839 3.960 0.003 0.000 0.215 465 G HA3 -0.122 3.839 3.960 0.003 0.000 0.215 465 G C 0.954 175.815 174.900 -0.064 0.000 1.188 465 G CA 1.537 46.596 45.100 -0.069 0.000 0.783 465 G HN 0.504 nan 8.290 nan 0.000 0.537 466 T N -2.323 112.181 114.554 -0.083 0.000 2.770 466 T HA 0.556 4.908 4.350 0.003 0.000 0.281 466 T C 0.722 175.382 174.700 -0.067 0.000 0.981 466 T CA 0.157 62.217 62.100 -0.067 0.000 0.955 466 T CB 1.726 70.551 68.868 -0.072 0.000 1.060 466 T HN 0.498 nan 8.240 nan 0.000 0.531 467 A N 0.660 123.450 122.820 -0.051 0.000 2.713 467 A HA 0.558 4.879 4.320 0.003 0.000 0.296 467 A C 0.042 177.600 177.584 -0.043 0.000 1.255 467 A CA -0.729 51.282 52.037 -0.044 0.000 0.955 467 A CB -1.092 17.890 19.000 -0.029 0.000 1.149 467 A HN 0.787 nan 8.150 nan 0.000 0.538 468 L N -4.470 116.718 121.223 -0.058 0.000 2.257 468 L HA 0.794 5.136 4.340 0.003 0.000 0.257 468 L C -0.478 176.350 176.870 -0.069 0.000 1.033 468 L CA -1.092 53.718 54.840 -0.050 0.000 0.835 468 L CB 0.736 42.772 42.059 -0.040 0.000 1.398 468 L HN -0.047 nan 8.230 nan 0.000 0.429 469 K N 0.038 120.409 120.400 -0.048 0.000 2.221 469 K HA 0.891 5.213 4.320 0.003 0.000 0.243 469 K C -1.255 175.327 176.600 -0.031 0.000 0.968 469 K CA -0.965 55.293 56.287 -0.048 0.000 0.846 469 K CB 2.521 35.008 32.500 -0.022 0.000 1.141 469 K HN 0.699 nan 8.250 nan 0.000 0.434 470 V N -2.250 117.650 119.914 -0.024 0.000 3.007 470 V HA 0.428 4.549 4.120 0.003 0.000 0.311 470 V C -0.450 175.699 176.094 0.092 0.000 1.120 470 V CA -0.973 61.350 62.300 0.038 0.000 0.980 470 V CB 1.814 33.634 31.823 -0.005 0.000 1.033 470 V HN 0.699 nan 8.190 nan 0.000 0.429 471 S N 2.241 118.031 115.700 0.149 0.000 2.701 471 S HA 0.385 4.856 4.470 0.003 0.000 0.317 471 S C 0.169 174.906 174.600 0.228 0.000 1.149 471 S CA -0.244 58.054 58.200 0.164 0.000 1.052 471 S CB -1.434 61.861 63.200 0.159 0.000 1.257 471 S HN 1.379 nan 8.310 nan 0.000 0.532 472 c N 4.174 122.890 118.600 0.194 0.000 2.345 472 c HA 1.035 5.607 4.570 0.003 0.000 0.370 472 c C -0.371 173.868 174.090 0.250 0.000 1.209 472 c CA -1.255 55.182 56.329 0.180 0.000 2.133 472 c CB -0.160 42.395 42.510 0.076 0.000 2.293 472 c HN 0.767 nan 8.230 nan 0.000 0.544 473 F N -1.060 118.935 119.950 0.075 0.000 2.685 473 F HA 0.602 5.130 4.527 0.002 0.000 0.315 473 F C -0.845 175.003 175.800 0.080 0.000 1.126 473 F CA -1.064 56.978 58.000 0.069 0.000 0.950 473 F CB 1.019 40.047 39.000 0.047 0.000 1.360 473 F HN 0.603 nan 8.300 nan 0.000 0.469 474 N N 0.829 119.663 118.700 0.224 0.000 2.421 474 N HA 0.575 5.317 4.740 0.003 0.000 0.285 474 N C -1.642 173.988 175.510 0.199 0.000 1.027 474 N CA -0.238 52.871 53.050 0.099 0.000 0.918 474 N CB 2.178 40.696 38.487 0.052 0.000 1.152 474 N HN 0.557 nan 8.380 nan 0.000 0.485 475 V N 3.445 123.428 119.914 0.115 0.000 2.448 475 V HA 0.503 4.624 4.120 0.003 0.000 0.295 475 V C 0.087 176.224 176.094 0.073 0.000 1.025 475 V CA -0.768 61.644 62.300 0.186 0.000 0.859 475 V CB 1.758 33.747 31.823 0.275 0.000 0.988 475 V HN 0.545 nan 8.190 nan 0.000 0.431 476 R N 4.416 124.953 120.500 0.061 0.000 2.502 476 R HA 0.566 4.908 4.340 0.003 0.000 0.298 476 R C -1.217 175.066 176.300 -0.028 0.000 1.018 476 R CA -0.481 55.556 56.100 -0.106 0.000 0.899 476 R CB 1.349 31.567 30.300 -0.136 0.000 1.181 476 R HN 0.668 nan 8.270 nan 0.000 0.444 477 F N 1.121 121.061 119.950 -0.017 0.000 2.457 477 F HA 0.829 5.358 4.527 0.003 0.000 0.330 477 F C -0.372 175.387 175.800 -0.069 0.000 1.069 477 F CA -1.100 56.876 58.000 -0.040 0.000 1.009 477 F CB 1.171 40.143 39.000 -0.047 0.000 1.276 477 F HN 0.294 nan 8.300 nan 0.000 0.492 478 c N 1.721 120.393 118.600 0.121 0.000 3.181 478 c HA 0.675 5.247 4.570 0.003 0.000 0.362 478 c C -1.234 172.808 174.090 -0.079 0.000 1.125 478 c CA -1.019 55.305 56.329 -0.009 0.000 1.265 478 c CB 1.311 43.788 42.510 -0.055 0.000 1.632 478 c HN 0.884 nan 8.230 nan 0.000 0.525 479 L N 4.153 125.295 121.223 -0.133 0.000 2.409 479 L HA 0.583 4.925 4.340 0.003 0.000 0.272 479 L C -0.459 176.291 176.870 -0.201 0.000 0.980 479 L CA -0.379 54.295 54.840 -0.277 0.000 0.826 479 L CB 1.625 43.408 42.059 -0.460 0.000 1.268 479 L HN 0.507 nan 8.230 nan 0.000 0.407 480 K N 3.202 123.490 120.400 -0.186 0.000 2.394 480 K HA 0.799 5.121 4.320 0.003 0.000 0.260 480 K C -1.373 175.167 176.600 -0.100 0.000 0.967 480 K CA -0.288 55.934 56.287 -0.107 0.000 0.855 480 K CB 1.980 34.442 32.500 -0.063 0.000 1.101 480 K HN 0.703 nan 8.250 nan 0.000 0.433 481 A N 3.565 126.359 122.820 -0.043 0.000 2.386 481 A HA 0.651 4.973 4.320 0.003 0.000 0.311 481 A C -1.377 176.252 177.584 0.074 0.000 1.068 481 A CA -0.562 51.493 52.037 0.031 0.000 0.743 481 A CB 1.513 20.585 19.000 0.121 0.000 1.258 481 A HN 0.750 nan 8.150 nan 0.000 0.429 482 D N -0.644 119.811 120.400 0.092 0.000 2.648 482 D HA 0.654 5.295 4.640 0.003 0.000 0.244 482 D C -0.595 175.770 176.300 0.109 0.000 1.244 482 D CA 0.738 54.791 54.000 0.089 0.000 0.772 482 D CB 2.098 42.935 40.800 0.061 0.000 1.379 482 D HN 1.126 nan 8.370 nan 0.000 0.428 483 G N 1.254 110.119 108.800 0.108 0.000 2.702 483 G HA2 0.439 4.401 3.960 0.003 0.000 0.296 483 G HA3 0.439 4.401 3.960 0.003 0.000 0.296 483 G C -1.072 173.904 174.900 0.127 0.000 1.463 483 G CA -0.761 44.420 45.100 0.134 0.000 0.890 483 G HN 0.357 nan 8.290 nan 0.000 0.534 484 K N -0.066 120.413 120.400 0.132 0.000 2.180 484 K HA 0.595 4.916 4.320 0.003 0.000 0.251 484 K C 0.927 177.591 176.600 0.108 0.000 1.014 484 K CA 1.101 57.426 56.287 0.064 0.000 0.913 484 K CB 0.918 33.402 32.500 -0.027 0.000 1.008 484 K HN 1.619 nan 8.250 nan 0.000 0.490 485 G N -0.509 108.293 108.800 0.003 0.000 2.698 485 G HA2 -0.228 3.733 3.960 0.003 0.000 0.225 485 G HA3 -0.228 3.733 3.960 0.003 0.000 0.225 485 G C -0.836 174.131 174.900 0.111 0.000 1.345 485 G CA -0.799 44.325 45.100 0.040 0.000 0.871 485 G HN 0.403 nan 8.290 nan 0.000 0.540 486 V N 1.894 121.885 119.914 0.128 0.000 2.405 486 V HA 0.560 4.681 4.120 0.003 0.000 0.264 486 V C 0.935 177.092 176.094 0.105 0.000 1.048 486 V CA 0.961 63.317 62.300 0.094 0.000 0.966 486 V CB -0.236 31.632 31.823 0.076 0.000 1.015 486 V HN 1.303 nan 8.190 nan 0.000 0.477 487 L N 4.453 125.724 121.223 0.080 0.000 2.622 487 L HA 0.807 5.148 4.340 0.003 0.000 0.258 487 L C -2.767 174.132 176.870 0.048 0.000 0.996 487 L CA -1.680 53.198 54.840 0.064 0.000 0.858 487 L CB 2.111 44.216 42.059 0.077 0.000 1.449 487 L HN 0.361 nan 8.230 nan 0.000 0.411 488 P HA 0.408 nan 4.420 nan 0.000 0.274 488 P C -0.424 176.895 177.300 0.031 0.000 1.256 488 P CA -0.467 62.648 63.100 0.026 0.000 0.795 488 P CB 1.283 32.990 31.700 0.012 0.000 1.038 489 R N -0.376 120.140 120.500 0.027 0.000 2.105 489 R HA 0.102 4.444 4.340 0.003 0.000 0.214 489 R C 1.146 177.467 176.300 0.034 0.000 1.091 489 R CA 0.291 56.411 56.100 0.032 0.000 1.007 489 R CB -0.084 30.231 30.300 0.025 0.000 0.912 489 R HN 0.426 nan 8.270 nan 0.000 0.450 490 K N 2.029 122.442 120.400 0.022 0.000 2.315 490 K HA 0.104 4.425 4.320 0.003 0.000 0.291 490 K C -1.182 175.421 176.600 0.005 0.000 1.074 490 K CA -0.060 56.238 56.287 0.018 0.000 0.936 490 K CB 0.337 32.840 32.500 0.006 0.000 1.049 490 K HN -0.137 nan 8.250 nan 0.000 0.471 491 L N 4.700 125.940 121.223 0.028 0.000 2.305 491 L HA 0.306 4.648 4.340 0.003 0.000 0.284 491 L C -0.200 176.633 176.870 -0.061 0.000 1.013 491 L CA -0.452 54.367 54.840 -0.034 0.000 0.819 491 L CB 1.445 43.545 42.059 0.069 0.000 1.227 491 L HN 0.525 nan 8.230 nan 0.000 0.417 492 N N 3.608 122.180 118.700 -0.214 0.000 2.455 492 N HA 0.469 5.210 4.740 0.003 0.000 0.280 492 N C -1.151 174.134 175.510 -0.374 0.000 1.055 492 N CA -0.085 52.862 53.050 -0.172 0.000 0.961 492 N CB 1.322 39.719 38.487 -0.149 0.000 1.121 492 N HN 0.264 nan 8.380 nan 0.000 0.476 493 F N 0.472 120.410 119.950 -0.019 0.000 2.540 493 F HA 0.190 4.718 4.527 0.002 0.000 0.317 493 F C 0.508 176.295 175.800 -0.023 0.000 1.104 493 F CA -0.949 57.048 58.000 -0.004 0.000 0.913 493 F CB 1.972 40.981 39.000 0.016 0.000 1.170 493 F HN 0.232 nan 8.300 nan 0.000 0.450 494 Q N 3.196 123.083 119.800 0.145 0.000 2.456 494 Q HA 0.482 4.824 4.340 0.003 0.000 0.234 494 Q C -1.419 174.621 176.000 0.067 0.000 1.061 494 Q CA -0.238 55.598 55.803 0.056 0.000 0.896 494 Q CB 0.786 29.521 28.738 -0.004 0.000 1.233 494 Q HN 0.493 nan 8.270 nan 0.000 0.506 495 V N 3.330 123.241 119.914 -0.004 0.000 2.644 495 V HA 0.530 4.652 4.120 0.003 0.000 0.295 495 V C -0.190 175.797 176.094 -0.178 0.000 1.053 495 V CA -0.643 61.587 62.300 -0.117 0.000 0.987 495 V CB 1.616 33.241 31.823 -0.330 0.000 1.006 495 V HN 0.730 nan 8.190 nan 0.000 0.472 496 E N 3.083 123.181 120.200 -0.171 0.000 2.275 496 E HA 0.659 5.011 4.350 0.003 0.000 0.270 496 E C -1.893 174.647 176.600 -0.100 0.000 0.882 496 E CA -0.458 55.877 56.400 -0.108 0.000 0.758 496 E CB 1.667 31.359 29.700 -0.013 0.000 1.195 496 E HN 0.425 nan 8.360 nan 0.000 0.419 497 L N 3.882 125.102 121.223 -0.005 0.000 2.342 497 L HA 0.634 4.976 4.340 0.003 0.000 0.271 497 L C -0.965 176.097 176.870 0.320 0.000 1.008 497 L CA -0.560 54.361 54.840 0.135 0.000 0.818 497 L CB 1.633 43.811 42.059 0.197 0.000 1.296 497 L HN 0.638 nan 8.230 nan 0.000 0.427 498 L N 3.687 125.111 121.223 0.336 0.000 2.476 498 L HA 0.490 4.831 4.340 0.003 0.000 0.269 498 L C -1.096 175.881 176.870 0.179 0.000 0.965 498 L CA -0.451 54.557 54.840 0.281 0.000 0.845 498 L CB 1.946 44.180 42.059 0.292 0.000 1.259 498 L HN 0.383 nan 8.230 nan 0.000 0.403 499 L N 3.544 124.777 121.223 0.016 0.000 2.290 499 L HA 0.332 4.673 4.340 0.003 0.000 0.284 499 L C 0.056 176.885 176.870 -0.068 0.000 1.078 499 L CA -0.097 54.694 54.840 -0.080 0.000 0.815 499 L CB 0.547 42.425 42.059 -0.301 0.000 1.162 499 L HN 0.644 nan 8.230 nan 0.000 0.435 500 D N 1.946 122.314 120.400 -0.053 0.000 2.778 500 D HA -0.156 4.486 4.640 0.003 0.000 0.246 500 D C 1.188 177.454 176.300 -0.058 0.000 1.107 500 D CA 0.399 54.353 54.000 -0.077 0.000 0.732 500 D CB -0.027 40.700 40.800 -0.123 0.000 1.055 500 D HN 0.498 nan 8.370 nan 0.000 0.429 501 K N 0.127 120.506 120.400 -0.036 0.000 2.044 501 K HA -0.111 4.211 4.320 0.003 0.000 0.210 501 K C 1.588 178.133 176.600 -0.092 0.000 1.049 501 K CA 1.208 57.449 56.287 -0.076 0.000 0.927 501 K CB -0.355 32.072 32.500 -0.121 0.000 0.713 501 K HN 0.630 nan 8.250 nan 0.000 0.443 502 L N -0.977 120.203 121.223 -0.072 0.000 2.727 502 L HA 0.268 4.610 4.340 0.003 0.000 0.237 502 L C 0.728 177.570 176.870 -0.048 0.000 1.370 502 L CA 0.165 54.969 54.840 -0.060 0.000 1.248 502 L CB 0.415 42.448 42.059 -0.043 0.000 1.556 502 L HN -0.114 nan 8.230 nan 0.000 0.420 503 K N -0.699 119.670 120.400 -0.052 0.000 2.803 503 K HA 0.001 4.323 4.320 0.003 0.000 0.166 503 K C 1.450 178.025 176.600 -0.041 0.000 1.975 503 K CA 0.064 56.324 56.287 -0.044 0.000 1.390 503 K CB 0.008 32.474 32.500 -0.057 0.000 2.217 503 K HN 0.305 nan 8.250 nan 0.000 0.591 504 Q N 1.757 121.528 119.800 -0.048 0.000 2.173 504 Q HA -0.137 4.205 4.340 0.003 0.000 0.208 504 Q C 0.913 176.894 176.000 -0.031 0.000 0.989 504 Q CA 1.068 56.847 55.803 -0.039 0.000 0.872 504 Q CB -0.339 28.376 28.738 -0.039 0.000 0.909 504 Q HN 0.086 nan 8.270 nan 0.000 0.420 505 K N 0.866 121.244 120.400 -0.037 0.000 2.036 505 K HA -0.035 4.287 4.320 0.003 0.000 0.246 505 K C 0.694 177.282 176.600 -0.020 0.000 1.148 505 K CA 1.010 57.278 56.287 -0.031 0.000 1.200 505 K CB -0.814 31.664 32.500 -0.037 0.000 0.964 505 K HN 0.386 nan 8.250 nan 0.000 0.364 506 G N 2.485 111.276 108.800 -0.015 0.000 2.458 506 G HA2 -0.381 3.580 3.960 0.003 0.000 0.237 506 G HA3 -0.381 3.580 3.960 0.003 0.000 0.237 506 G C 0.371 175.268 174.900 -0.004 0.000 1.113 506 G CA 0.355 45.451 45.100 -0.007 0.000 0.655 506 G HN 0.898 nan 8.290 nan 0.000 0.513 507 A N 0.857 123.673 122.820 -0.007 0.000 2.301 507 A HA 0.748 5.070 4.320 0.003 0.000 0.287 507 A C 0.733 178.315 177.584 -0.003 0.000 1.274 507 A CA -0.187 51.849 52.037 -0.001 0.000 0.865 507 A CB 0.302 19.302 19.000 -0.000 0.000 1.324 507 A HN 0.636 nan 8.150 nan 0.000 0.508 508 I N 0.047 120.621 120.570 0.006 0.000 2.696 508 I HA 0.131 4.302 4.170 0.003 0.000 0.284 508 I C 0.461 176.554 176.117 -0.040 0.000 1.129 508 I CA 0.300 61.603 61.300 0.006 0.000 1.410 508 I CB 0.366 38.398 38.000 0.054 0.000 1.399 508 I HN 0.576 nan 8.210 nan 0.000 0.579 509 R N 5.684 126.150 120.500 -0.057 0.000 2.391 509 R HA 0.315 4.656 4.340 0.003 0.000 0.310 509 R C 0.782 176.969 176.300 -0.189 0.000 1.174 509 R CA -0.368 55.666 56.100 -0.110 0.000 1.118 509 R CB 0.310 30.555 30.300 -0.090 0.000 1.134 509 R HN 0.459 nan 8.270 nan 0.000 0.524 510 R N 1.063 121.396 120.500 -0.279 0.000 2.235 510 R HA 0.050 4.392 4.340 0.003 0.000 0.213 510 R C 0.321 176.347 176.300 -0.458 0.000 1.059 510 R CA 0.829 56.615 56.100 -0.523 0.000 0.997 510 R CB 0.328 30.195 30.300 -0.721 0.000 0.884 510 R HN 0.458 nan 8.270 nan 0.000 0.462 511 A N 0.808 123.425 122.820 -0.339 0.000 2.449 511 A HA 0.684 5.005 4.320 0.003 0.000 0.302 511 A C -1.048 176.263 177.584 -0.456 0.000 1.048 511 A CA -0.722 51.114 52.037 -0.335 0.000 0.708 511 A CB 1.425 20.345 19.000 -0.133 0.000 1.274 511 A HN 0.054 nan 8.150 nan 0.000 0.410 512 L N 0.567 121.383 121.223 -0.678 0.000 2.359 512 L HA 0.620 4.962 4.340 0.003 0.000 0.256 512 L C -0.944 175.550 176.870 -0.627 0.000 1.026 512 L CA -0.669 53.768 54.840 -0.672 0.000 0.828 512 L CB 1.857 43.566 42.059 -0.583 0.000 1.406 512 L HN 0.718 nan 8.230 nan 0.000 0.413 513 F N 0.552 120.439 119.950 -0.105 0.000 2.418 513 F HA 0.118 4.646 4.527 0.002 0.000 0.341 513 F C 1.054 176.951 175.800 0.163 0.000 1.120 513 F CA -0.478 57.508 58.000 -0.023 0.000 1.232 513 F CB 0.769 39.742 39.000 -0.044 0.000 1.175 513 F HN 0.339 nan 8.300 nan 0.000 0.569 514 L N 2.603 124.044 121.223 0.362 0.000 2.017 514 L HA -0.211 4.130 4.340 0.003 0.000 0.208 514 L C 1.626 178.509 176.870 0.021 0.000 1.073 514 L CA 2.017 56.974 54.840 0.195 0.000 0.745 514 L CB -0.805 41.256 42.059 0.004 0.000 0.894 514 L HN 0.610 nan 8.230 nan 0.000 0.432 515 Y N -1.247 119.114 120.300 0.101 0.000 2.397 515 Y HA -0.034 4.517 4.550 0.002 0.000 0.292 515 Y C 2.746 178.706 175.900 0.100 0.000 1.115 515 Y CA 1.060 59.199 58.100 0.065 0.000 1.208 515 Y CB -0.406 38.071 38.460 0.028 0.000 1.046 515 Y HN 0.359 nan 8.280 nan 0.000 0.552 516 S N -0.362 115.516 115.700 0.296 0.000 2.470 516 S HA 0.037 4.509 4.470 0.003 0.000 0.222 516 S C 0.844 175.580 174.600 0.228 0.000 1.024 516 S CA -0.051 58.302 58.200 0.254 0.000 0.931 516 S CB -0.162 63.221 63.200 0.305 0.000 0.791 516 S HN 0.368 nan 8.310 nan 0.000 0.513 517 R N 0.661 121.324 120.500 0.272 0.000 3.336 517 R HA -0.111 4.231 4.340 0.003 0.000 0.260 517 R C -0.442 175.953 176.300 0.158 0.000 1.032 517 R CA 0.770 57.030 56.100 0.266 0.000 0.693 517 R CB -2.629 27.818 30.300 0.245 0.000 1.134 517 R HN 0.520 nan 8.270 nan 0.000 0.433 518 S N -0.490 115.311 115.700 0.170 0.000 2.549 518 S HA 0.609 5.081 4.470 0.003 0.000 0.280 518 S C -1.887 172.751 174.600 0.063 0.000 1.109 518 S CA -1.598 56.682 58.200 0.134 0.000 0.905 518 S CB 1.993 65.317 63.200 0.206 0.000 1.081 518 S HN -0.018 nan 8.310 nan 0.000 0.477 519 P HA 0.081 nan 4.420 nan 0.000 0.231 519 P C 0.184 177.547 177.300 0.105 0.000 1.168 519 P CA 0.307 63.323 63.100 -0.139 0.000 0.779 519 P CB -0.109 31.532 31.700 -0.099 0.000 0.844 520 S N -0.174 115.692 115.700 0.277 0.000 2.509 520 S HA 0.503 4.974 4.470 0.003 0.000 0.297 520 S C -0.684 174.199 174.600 0.472 0.000 1.118 520 S CA -0.601 57.813 58.200 0.356 0.000 1.074 520 S CB 1.351 64.661 63.200 0.183 0.000 1.038 520 S HN 0.178 nan 8.310 nan 0.000 0.498 521 H N 0.709 119.906 119.070 0.211 0.000 3.086 521 H HA 0.436 4.993 4.556 0.003 0.000 0.353 521 H C -1.372 173.894 175.328 -0.102 0.000 1.134 521 H CA -0.384 55.629 56.048 -0.059 0.000 1.248 521 H CB 2.059 31.488 29.762 -0.555 0.000 1.878 521 H HN 0.749 nan 8.280 nan 0.000 0.527 522 S N 2.543 117.908 115.700 -0.559 0.000 2.718 522 S HA 0.532 5.004 4.470 0.003 0.000 0.300 522 S C -0.738 173.633 174.600 -0.382 0.000 1.117 522 S CA -0.808 57.181 58.200 -0.352 0.000 1.002 522 S CB 1.882 64.942 63.200 -0.234 0.000 1.092 522 S HN 0.538 nan 8.310 nan 0.000 0.542 523 K N 1.756 122.043 120.400 -0.188 0.000 2.670 523 K HA 0.222 4.543 4.320 0.003 0.000 0.274 523 K C -1.829 174.752 176.600 -0.030 0.000 1.068 523 K CA -0.195 56.048 56.287 -0.072 0.000 0.967 523 K CB 0.256 32.788 32.500 0.054 0.000 1.297 523 K HN 0.436 nan 8.250 nan 0.000 0.477 524 N N 4.357 123.043 118.700 -0.022 0.000 2.406 524 N HA 0.061 4.802 4.740 0.003 0.000 0.274 524 N C -0.473 175.062 175.510 0.041 0.000 1.249 524 N CA 0.286 53.336 53.050 0.000 0.000 0.951 524 N CB 0.271 38.747 38.487 -0.018 0.000 1.241 524 N HN 0.609 nan 8.380 nan 0.000 0.485 525 M N 1.145 120.795 119.600 0.083 0.000 2.478 525 M HA 0.284 4.765 4.480 0.003 0.000 0.327 525 M C -0.469 175.913 176.300 0.137 0.000 1.187 525 M CA -0.227 55.145 55.300 0.121 0.000 1.022 525 M CB 1.179 33.873 32.600 0.156 0.000 1.629 525 M HN 0.187 nan 8.290 nan 0.000 0.461 526 T N 5.388 120.011 114.554 0.115 0.000 3.305 526 T HA 0.354 4.705 4.350 0.003 0.000 0.348 526 T C -0.104 174.660 174.700 0.106 0.000 1.394 526 T CA -0.598 61.564 62.100 0.104 0.000 1.549 526 T CB -0.435 68.461 68.868 0.047 0.000 0.962 526 T HN 0.641 nan 8.240 nan 0.000 0.609 527 I N -0.165 120.505 120.570 0.165 0.000 3.322 527 I HA 0.836 5.008 4.170 0.003 0.000 0.296 527 I C 0.180 176.365 176.117 0.113 0.000 1.101 527 I CA -0.552 60.817 61.300 0.114 0.000 1.166 527 I CB 1.087 39.137 38.000 0.083 0.000 1.475 527 I HN 0.486 nan 8.210 nan 0.000 0.665 528 S N 0.089 115.837 115.700 0.080 0.000 2.565 528 S HA 0.642 5.113 4.470 0.003 0.000 0.269 528 S C -0.194 174.440 174.600 0.056 0.000 1.153 528 S CA -0.498 57.743 58.200 0.067 0.000 0.835 528 S CB 2.351 65.577 63.200 0.043 0.000 1.122 528 S HN 1.056 nan 8.310 nan 0.000 0.462 529 R N 0.517 121.050 120.500 0.055 0.000 2.337 529 R HA -0.081 4.261 4.340 0.003 0.000 0.112 529 R C 0.644 176.972 176.300 0.047 0.000 0.919 529 R CA 1.673 57.799 56.100 0.044 0.000 1.731 529 R CB -1.895 28.423 30.300 0.030 0.000 0.491 529 R HN 2.242 nan 8.270 nan 0.000 0.693 530 G N -1.147 107.674 108.800 0.035 0.000 1.950 530 G HA2 0.517 4.479 3.960 0.003 0.000 0.231 530 G HA3 0.517 4.479 3.960 0.003 0.000 0.231 530 G C 0.342 175.252 174.900 0.016 0.000 1.685 530 G CA 0.523 45.641 45.100 0.030 0.000 0.922 530 G HN 1.266 nan 8.290 nan 0.000 0.717 531 G N 0.381 109.187 108.800 0.008 0.000 2.475 531 G HA2 -0.120 3.841 3.960 0.003 0.000 0.209 531 G HA3 -0.120 3.841 3.960 0.003 0.000 0.209 531 G C 0.575 175.472 174.900 -0.006 0.000 1.127 531 G CA 0.170 45.270 45.100 0.001 0.000 0.681 531 G HN 1.516 nan 8.290 nan 0.000 0.517 532 L N 2.027 123.248 121.223 -0.003 0.000 2.505 532 L HA 0.430 4.772 4.340 0.003 0.000 0.275 532 L C 1.212 178.070 176.870 -0.020 0.000 1.264 532 L CA 0.436 55.271 54.840 -0.009 0.000 1.148 532 L CB 0.297 42.355 42.059 -0.002 0.000 1.377 532 L HN 0.479 nan 8.230 nan 0.000 0.442 533 M N 2.715 122.298 119.600 -0.028 0.000 2.922 533 M HA 0.022 4.504 4.480 0.003 0.000 0.294 533 M C 0.471 176.742 176.300 -0.049 0.000 1.556 533 M CA 0.425 55.698 55.300 -0.045 0.000 1.568 533 M CB -0.216 32.358 32.600 -0.043 0.000 1.462 533 M HN 0.496 nan 8.290 nan 0.000 0.489 534 Q N 3.197 122.968 119.800 -0.048 0.000 2.313 534 Q HA 0.207 4.549 4.340 0.003 0.000 0.266 534 Q C -1.300 174.661 176.000 -0.065 0.000 0.989 534 Q CA -0.202 55.575 55.803 -0.045 0.000 0.890 534 Q CB 0.816 29.543 28.738 -0.020 0.000 1.200 534 Q HN 0.812 nan 8.270 nan 0.000 0.396 535 c N 3.411 121.952 118.600 -0.098 0.000 2.595 535 c HA 0.672 5.243 4.570 0.003 0.000 0.338 535 c C -0.784 173.151 174.090 -0.257 0.000 1.219 535 c CA -0.328 55.892 56.329 -0.181 0.000 1.811 535 c CB 1.893 44.297 42.510 -0.177 0.000 2.313 535 c HN 0.962 nan 8.230 nan 0.000 0.499 536 E N 0.871 120.761 120.200 -0.518 0.000 2.347 536 E HA 0.337 4.689 4.350 0.003 0.000 0.285 536 E C -1.381 174.744 176.600 -0.793 0.000 0.925 536 E CA -0.179 55.877 56.400 -0.574 0.000 0.779 536 E CB 1.272 30.697 29.700 -0.458 0.000 1.233 536 E HN 0.644 nan 8.360 nan 0.000 0.414 537 E N 2.630 122.568 120.200 -0.438 0.000 2.212 537 E HA 0.651 5.003 4.350 0.003 0.000 0.270 537 E C -0.813 175.653 176.600 -0.224 0.000 0.956 537 E CA -0.887 55.315 56.400 -0.330 0.000 0.825 537 E CB 1.571 31.132 29.700 -0.232 0.000 1.167 537 E HN 0.357 nan 8.360 nan 0.000 0.400 538 L N 2.744 123.882 121.223 -0.141 0.000 2.482 538 L HA 0.360 4.702 4.340 0.003 0.000 0.263 538 L C -1.261 175.595 176.870 -0.023 0.000 0.957 538 L CA -1.043 53.740 54.840 -0.094 0.000 0.836 538 L CB 1.734 43.699 42.059 -0.157 0.000 1.324 538 L HN 0.456 nan 8.230 nan 0.000 0.406 539 I N 1.479 122.053 120.570 0.006 0.000 2.321 539 I HA 0.785 4.957 4.170 0.003 0.000 0.291 539 I C 0.131 176.229 176.117 -0.033 0.000 0.998 539 I CA -0.715 60.568 61.300 -0.030 0.000 1.227 539 I CB 1.223 39.227 38.000 0.007 0.000 1.368 539 I HN 0.444 nan 8.210 nan 0.000 0.466 540 A N 5.813 128.432 122.820 -0.334 0.000 2.330 540 A HA 0.802 5.123 4.320 0.003 0.000 0.327 540 A C -0.816 176.413 177.584 -0.592 0.000 1.155 540 A CA -0.587 51.180 52.037 -0.451 0.000 0.803 540 A CB 0.644 19.228 19.000 -0.693 0.000 1.208 540 A HN 0.757 nan 8.150 nan 0.000 0.477 541 Y N 0.773 120.887 120.300 -0.310 0.000 2.596 541 Y HA 0.817 5.369 4.550 0.003 0.000 0.326 541 Y C -0.858 175.043 175.900 0.001 0.000 1.167 541 Y CA -1.976 56.050 58.100 -0.122 0.000 1.246 541 Y CB 0.741 39.160 38.460 -0.067 0.000 1.347 541 Y HN 0.529 nan 8.280 nan 0.000 0.515 542 L N 2.419 123.737 121.223 0.158 0.000 2.346 542 L HA 0.535 4.877 4.340 0.003 0.000 0.276 542 L C -0.221 176.749 176.870 0.167 0.000 1.006 542 L CA -1.015 53.862 54.840 0.063 0.000 0.817 542 L CB 1.605 43.758 42.059 0.157 0.000 1.272 542 L HN 0.793 nan 8.230 nan 0.000 0.421 543 R N 1.574 122.115 120.500 0.069 0.000 2.827 543 R HA 0.066 4.408 4.340 0.003 0.000 0.269 543 R C -0.625 175.909 176.300 0.391 0.000 1.048 543 R CA -0.409 55.843 56.100 0.252 0.000 1.173 543 R CB 0.231 30.669 30.300 0.230 0.000 1.070 543 R HN 0.630 nan 8.270 nan 0.000 0.498 544 D N 0.567 121.137 120.400 0.285 0.000 2.414 544 D HA -0.030 4.612 4.640 0.003 0.000 0.242 544 D C 0.492 176.843 176.300 0.086 0.000 1.129 544 D CA 0.200 54.305 54.000 0.175 0.000 0.885 544 D CB 0.896 41.759 40.800 0.105 0.000 1.198 544 D HN 0.338 nan 8.370 nan 0.000 0.437 545 E N 0.611 120.800 120.200 -0.020 0.000 2.187 545 E HA -0.190 4.161 4.350 0.003 0.000 0.199 545 E C 1.347 177.779 176.600 -0.280 0.000 1.004 545 E CA 1.032 57.291 56.400 -0.236 0.000 0.813 545 E CB -0.128 29.497 29.700 -0.126 0.000 0.736 545 E HN 0.323 nan 8.360 nan 0.000 0.468 546 S N -0.633 114.993 115.700 -0.123 0.000 2.988 546 S HA -0.139 4.332 4.470 0.003 0.000 0.237 546 S C 0.861 175.410 174.600 -0.086 0.000 0.989 546 S CA 1.199 59.347 58.200 -0.087 0.000 1.054 546 S CB -0.298 62.884 63.200 -0.030 0.000 0.818 546 S HN 0.400 nan 8.310 nan 0.000 0.526 547 E N -0.962 119.142 120.200 -0.161 0.000 1.175 547 E HA -0.028 4.323 4.350 0.003 0.000 0.203 547 E C -0.187 176.361 176.600 -0.087 0.000 0.916 547 E CA -0.124 56.207 56.400 -0.114 0.000 0.885 547 E CB -0.815 28.871 29.700 -0.023 0.000 4.771 547 E HN 0.541 nan 8.360 nan 0.000 0.605 548 F N 1.901 121.857 119.950 0.009 0.000 2.612 548 F HA 0.253 4.782 4.527 0.002 0.000 0.389 548 F C 1.031 176.834 175.800 0.006 0.000 1.055 548 F CA -0.039 57.963 58.000 0.004 0.000 1.232 548 F CB 0.557 39.556 39.000 -0.002 0.000 1.044 548 F HN -0.104 nan 8.300 nan 0.000 0.560 549 R N 1.414 121.954 120.500 0.066 0.000 2.175 549 R HA -0.019 4.323 4.340 0.003 0.000 0.202 549 R C -0.137 176.201 176.300 0.063 0.000 1.018 549 R CA 0.282 56.369 56.100 -0.021 0.000 1.029 549 R CB -0.155 30.149 30.300 0.006 0.000 0.959 549 R HN 0.816 nan 8.270 nan 0.000 0.480 550 D N 1.460 121.972 120.400 0.186 0.000 2.401 550 D HA -0.007 4.634 4.640 0.003 0.000 0.254 550 D C -0.036 176.426 176.300 0.270 0.000 1.192 550 D CA 0.677 54.784 54.000 0.179 0.000 0.885 550 D CB 0.864 41.749 40.800 0.141 0.000 1.147 550 D HN 0.005 nan 8.370 nan 0.000 0.478 551 K N 3.113 123.618 120.400 0.175 0.000 2.483 551 K HA 0.110 4.432 4.320 0.003 0.000 0.206 551 K C 0.832 177.509 176.600 0.128 0.000 1.086 551 K CA -0.272 56.129 56.287 0.190 0.000 1.052 551 K CB 0.973 33.556 32.500 0.137 0.000 0.904 551 K HN 0.220 nan 8.250 nan 0.000 0.557 552 L N 0.669 121.954 121.223 0.104 0.000 2.500 552 L HA 0.179 4.520 4.340 0.003 0.000 0.219 552 L C 0.289 177.217 176.870 0.097 0.000 1.057 552 L CA 0.993 55.890 54.840 0.095 0.000 0.854 552 L CB 0.684 42.787 42.059 0.074 0.000 1.078 552 L HN -0.111 nan 8.230 nan 0.000 0.480 553 T N 2.423 117.023 114.554 0.077 0.000 2.930 553 T HA 0.208 4.559 4.350 0.003 0.000 0.306 553 T C -2.383 172.348 174.700 0.051 0.000 1.045 553 T CA -0.722 61.414 62.100 0.060 0.000 1.134 553 T CB 0.574 69.461 68.868 0.032 0.000 0.961 553 T HN 0.022 nan 8.240 nan 0.000 0.545 554 P HA 0.317 nan 4.420 nan 0.000 0.274 554 P C -0.507 176.718 177.300 -0.126 0.000 1.231 554 P CA -0.453 62.628 63.100 -0.031 0.000 0.790 554 P CB 0.394 32.092 31.700 -0.004 0.000 0.951 555 I N 1.477 121.908 120.570 -0.231 0.000 2.276 555 I HA 0.120 4.291 4.170 0.003 0.000 0.290 555 I C 0.203 176.207 176.117 -0.188 0.000 1.109 555 I CA -0.121 61.055 61.300 -0.207 0.000 1.229 555 I CB 0.064 37.911 38.000 -0.255 0.000 1.452 555 I HN 0.131 nan 8.210 nan 0.000 0.497 556 T N 6.717 121.205 114.554 -0.109 0.000 2.752 556 T HA 0.288 4.640 4.350 0.003 0.000 0.295 556 T C 0.395 175.107 174.700 0.020 0.000 0.923 556 T CA -0.245 61.826 62.100 -0.048 0.000 1.112 556 T CB 0.344 69.208 68.868 -0.007 0.000 0.884 556 T HN 0.170 nan 8.240 nan 0.000 0.525 557 I N 4.595 125.193 120.570 0.046 0.000 2.352 557 I HA 0.299 4.471 4.170 0.003 0.000 0.290 557 I C -0.064 176.172 176.117 0.197 0.000 1.036 557 I CA -0.793 60.583 61.300 0.126 0.000 1.336 557 I CB -0.109 37.974 38.000 0.138 0.000 1.407 557 I HN 0.528 nan 8.210 nan 0.000 0.497 558 F N 8.211 128.197 119.950 0.061 0.000 2.458 558 F HA 0.590 5.118 4.527 0.003 0.000 0.336 558 F C -0.437 175.407 175.800 0.073 0.000 1.114 558 F CA -0.836 57.197 58.000 0.055 0.000 0.987 558 F CB 1.512 40.531 39.000 0.032 0.000 1.130 558 F HN 0.406 nan 8.300 nan 0.000 0.458 559 M N 7.319 126.511 119.600 -0.679 0.000 2.253 559 M HA 0.381 4.862 4.480 0.003 0.000 0.314 559 M C -1.549 174.275 176.300 -0.792 0.000 1.019 559 M CA -0.251 54.729 55.300 -0.533 0.000 0.932 559 M CB 1.824 34.299 32.600 -0.209 0.000 1.606 559 M HN 0.847 nan 8.290 nan 0.000 0.430 560 E N 4.157 124.042 120.200 -0.525 0.000 2.359 560 E HA 0.705 5.056 4.350 0.003 0.000 0.266 560 E C -2.009 174.562 176.600 -0.049 0.000 0.920 560 E CA -0.740 55.469 56.400 -0.317 0.000 0.788 560 E CB 2.160 31.737 29.700 -0.205 0.000 1.279 560 E HN 0.664 nan 8.360 nan 0.000 0.438 561 Y N -1.294 118.948 120.300 -0.096 0.000 2.519 561 Y HA 0.635 5.186 4.550 0.003 0.000 0.336 561 Y C -1.186 174.769 175.900 0.092 0.000 1.089 561 Y CA -1.196 56.892 58.100 -0.019 0.000 1.025 561 Y CB 1.776 40.195 38.460 -0.068 0.000 1.318 561 Y HN 0.641 nan 8.280 nan 0.000 0.452 562 R N 3.076 123.731 120.500 0.259 0.000 2.686 562 R HA 0.612 4.954 4.340 0.003 0.000 0.283 562 R C -1.721 174.705 176.300 0.210 0.000 0.978 562 R CA -1.067 55.149 56.100 0.192 0.000 0.897 562 R CB 2.299 32.649 30.300 0.084 0.000 1.192 562 R HN 0.936 nan 8.270 nan 0.000 0.457 563 L N 2.064 123.333 121.223 0.077 0.000 2.453 563 L HA 0.287 4.629 4.340 0.003 0.000 0.261 563 L C -0.920 175.787 176.870 -0.273 0.000 1.179 563 L CA 0.484 55.157 54.840 -0.278 0.000 0.813 563 L CB 0.866 42.792 42.059 -0.221 0.000 1.110 563 L HN 0.545 nan 8.230 nan 0.000 0.466 564 D N 2.079 122.239 120.400 -0.399 0.000 2.198 564 D HA 0.236 4.878 4.640 0.003 0.000 0.245 564 D C 0.134 176.204 176.300 -0.383 0.000 1.079 564 D CA 0.135 53.825 54.000 -0.518 0.000 0.854 564 D CB 0.823 41.387 40.800 -0.395 0.000 1.148 564 D HN 0.485 nan 8.370 nan 0.000 0.456 565 Y N 1.151 121.409 120.300 -0.071 0.000 2.138 565 Y HA 0.037 4.589 4.550 0.003 0.000 0.286 565 Y C 2.215 178.086 175.900 -0.049 0.000 1.115 565 Y CA 0.374 58.441 58.100 -0.055 0.000 1.105 565 Y CB -0.243 38.196 38.460 -0.035 0.000 1.004 565 Y HN 0.145 nan 8.280 nan 0.000 0.494 566 R N -0.264 120.309 120.500 0.122 0.000 2.119 566 R HA -0.033 4.309 4.340 0.003 0.000 0.222 566 R C 0.929 177.228 176.300 -0.002 0.000 1.088 566 R CA 1.177 57.315 56.100 0.065 0.000 0.984 566 R CB -0.269 30.079 30.300 0.080 0.000 0.884 566 R HN 0.123 nan 8.270 nan 0.000 0.447 567 T N -0.340 114.183 114.554 -0.053 0.000 3.474 567 T HA 0.359 4.711 4.350 0.003 0.000 0.270 567 T C 0.252 174.903 174.700 -0.081 0.000 1.079 567 T CA 0.535 62.595 62.100 -0.067 0.000 1.110 567 T CB 0.247 69.061 68.868 -0.090 0.000 1.087 567 T HN 0.373 nan 8.240 nan 0.000 0.784 568 A N 2.916 125.708 122.820 -0.047 0.000 2.489 568 A HA 0.430 4.751 4.320 0.003 0.000 0.217 568 A C 0.892 178.468 177.584 -0.013 0.000 2.790 568 A CA 0.242 52.252 52.037 -0.045 0.000 1.540 568 A CB -1.219 17.736 19.000 -0.075 0.000 0.407 568 A HN 1.049 nan 8.150 nan 0.000 0.522 569 A N 1.321 124.142 122.820 0.001 0.000 2.366 569 A HA 0.499 4.821 4.320 0.003 0.000 0.250 569 A C 0.597 178.191 177.584 0.017 0.000 1.099 569 A CA 0.552 52.598 52.037 0.014 0.000 0.794 569 A CB -0.115 18.899 19.000 0.025 0.000 1.056 569 A HN 0.826 nan 8.150 nan 0.000 0.499 570 D N -1.002 119.415 120.400 0.027 0.000 2.342 570 D HA 0.142 4.783 4.640 0.003 0.000 0.284 570 D C 1.464 177.782 176.300 0.029 0.000 1.198 570 D CA 0.767 54.787 54.000 0.033 0.000 1.061 570 D CB -0.991 39.840 40.800 0.051 0.000 1.130 570 D HN 0.499 nan 8.370 nan 0.000 0.541 571 T N -3.489 111.085 114.554 0.033 0.000 2.812 571 T HA -0.059 4.293 4.350 0.003 0.000 0.264 571 T C 1.471 176.181 174.700 0.016 0.000 1.042 571 T CA 1.209 63.321 62.100 0.020 0.000 1.140 571 T CB -1.078 67.800 68.868 0.017 0.000 0.870 571 T HN 0.371 nan 8.240 nan 0.000 0.445 572 T N 1.495 116.066 114.554 0.029 0.000 3.287 572 T HA 0.514 4.866 4.350 0.003 0.000 0.253 572 T C 1.069 175.790 174.700 0.035 0.000 0.975 572 T CA 0.001 62.114 62.100 0.021 0.000 0.912 572 T CB -0.481 68.399 68.868 0.020 0.000 1.071 572 T HN 0.831 nan 8.240 nan 0.000 0.578 573 G N 1.923 110.742 108.800 0.032 0.000 2.333 573 G HA2 -0.226 3.736 3.960 0.003 0.000 0.296 573 G HA3 -0.226 3.736 3.960 0.003 0.000 0.296 573 G C -0.110 174.814 174.900 0.040 0.000 1.059 573 G CA -0.373 44.746 45.100 0.032 0.000 1.050 573 G HN 0.564 nan 8.290 nan 0.000 0.508 574 L N 0.780 122.030 121.223 0.044 0.000 2.353 574 L HA 0.475 4.816 4.340 0.003 0.000 0.269 574 L C 0.716 177.597 176.870 0.019 0.000 1.085 574 L CA -0.510 54.354 54.840 0.039 0.000 0.938 574 L CB 0.479 42.571 42.059 0.054 0.000 1.312 574 L HN 0.428 nan 8.230 nan 0.000 0.429 575 Q N 5.787 125.598 119.800 0.018 0.000 2.332 575 Q HA 0.288 4.630 4.340 0.003 0.000 0.263 575 Q C -2.092 173.905 176.000 -0.005 0.000 0.979 575 Q CA -1.657 54.158 55.803 0.019 0.000 0.885 575 Q CB 0.462 29.229 28.738 0.047 0.000 1.218 575 Q HN 0.433 nan 8.270 nan 0.000 0.405 576 P HA 0.193 nan 4.420 nan 0.000 0.276 576 P C -0.938 176.363 177.300 0.001 0.000 1.252 576 P CA -0.309 62.774 63.100 -0.028 0.000 0.802 576 P CB 0.885 32.578 31.700 -0.013 0.000 1.035 577 I N 0.829 121.400 120.570 0.001 0.000 2.693 577 I HA 0.306 4.477 4.170 0.003 0.000 0.303 577 I C -0.557 175.646 176.117 0.144 0.000 1.025 577 I CA -1.279 60.062 61.300 0.070 0.000 1.086 577 I CB 1.466 39.494 38.000 0.047 0.000 1.268 577 I HN 0.089 nan 8.210 nan 0.000 0.440 578 L N 4.590 125.930 121.223 0.195 0.000 2.421 578 L HA 0.358 4.700 4.340 0.003 0.000 0.263 578 L C 0.030 177.074 176.870 0.290 0.000 1.122 578 L CA -0.138 54.840 54.840 0.230 0.000 0.804 578 L CB 0.333 42.520 42.059 0.213 0.000 1.150 578 L HN 0.599 nan 8.230 nan 0.000 0.457 579 N N 0.460 119.314 118.700 0.257 0.000 2.452 579 N HA 0.010 4.751 4.740 0.003 0.000 0.266 579 N C 0.825 176.356 175.510 0.035 0.000 1.175 579 N CA 0.214 53.406 53.050 0.236 0.000 0.945 579 N CB 0.703 39.321 38.487 0.219 0.000 1.063 579 N HN 0.610 nan 8.380 nan 0.000 0.472 580 Q N 2.790 122.398 119.800 -0.321 0.000 2.181 580 Q HA -0.174 4.168 4.340 0.003 0.000 0.205 580 Q C 0.310 176.212 176.000 -0.164 0.000 0.980 580 Q CA 1.331 56.897 55.803 -0.396 0.000 0.862 580 Q CB -0.245 27.959 28.738 -0.890 0.000 0.905 580 Q HN 0.631 nan 8.270 nan 0.000 0.429 581 F N 1.955 121.800 119.950 -0.175 0.000 2.980 581 F HA 0.297 4.825 4.527 0.003 0.000 0.299 581 F C -0.775 175.016 175.800 -0.014 0.000 1.211 581 F CA -0.151 57.803 58.000 -0.075 0.000 1.328 581 F CB 0.703 39.670 39.000 -0.054 0.000 1.154 581 F HN -0.154 nan 8.300 nan 0.000 0.528 582 T N 2.263 116.847 114.554 0.050 0.000 2.949 582 T HA 0.299 4.650 4.350 0.003 0.000 0.300 582 T C -2.570 172.138 174.700 0.013 0.000 0.988 582 T CA -1.139 61.012 62.100 0.085 0.000 0.993 582 T CB 1.648 70.602 68.868 0.144 0.000 0.984 582 T HN -0.031 nan 8.240 nan 0.000 0.442 583 P HA 0.422 nan 4.420 nan 0.000 0.275 583 P C -0.219 177.027 177.300 -0.089 0.000 1.227 583 P CA -0.549 62.521 63.100 -0.049 0.000 0.781 583 P CB 0.919 32.605 31.700 -0.024 0.000 0.906 584 A N 2.892 125.553 122.820 -0.265 0.000 2.476 584 A HA 0.224 4.546 4.320 0.003 0.000 0.263 584 A C 0.285 177.416 177.584 -0.754 0.000 1.342 584 A CA -0.184 51.384 52.037 -0.782 0.000 0.926 584 A CB -1.348 17.306 19.000 -0.577 0.000 1.019 584 A HN 0.794 nan 8.150 nan 0.000 0.515 585 N N -1.531 117.000 118.700 -0.282 0.000 2.961 585 N HA 0.588 5.329 4.740 0.003 0.000 0.245 585 N C -1.233 174.252 175.510 -0.042 0.000 1.404 585 N CA -0.585 52.350 53.050 -0.192 0.000 0.880 585 N CB 0.998 39.324 38.487 -0.268 0.000 1.461 585 N HN 0.071 nan 8.380 nan 0.000 0.510 586 I N -0.684 119.813 120.570 -0.123 0.000 2.894 586 I HA 0.685 4.856 4.170 0.003 0.000 0.302 586 I C -1.274 174.839 176.117 -0.007 0.000 1.188 586 I CA -0.439 60.855 61.300 -0.010 0.000 1.014 586 I CB 2.255 40.271 38.000 0.026 0.000 1.242 586 I HN 0.630 nan 8.210 nan 0.000 0.430 587 S N 4.758 120.512 115.700 0.091 0.000 2.500 587 S HA 0.741 5.213 4.470 0.003 0.000 0.301 587 S C -0.797 173.853 174.600 0.084 0.000 1.092 587 S CA -0.561 57.721 58.200 0.137 0.000 1.030 587 S CB 1.787 65.099 63.200 0.188 0.000 1.031 587 S HN 0.546 nan 8.310 nan 0.000 0.483 588 R N 1.524 122.067 120.500 0.072 0.000 2.905 588 R HA 0.621 4.963 4.340 0.003 0.000 0.260 588 R C -1.695 174.600 176.300 -0.009 0.000 1.086 588 R CA -0.738 55.383 56.100 0.035 0.000 0.978 588 R CB 1.300 31.625 30.300 0.042 0.000 1.215 588 R HN 0.766 nan 8.270 nan 0.000 0.480 589 Q N 0.635 120.383 119.800 -0.087 0.000 2.386 589 Q HA 0.737 5.079 4.340 0.003 0.000 0.274 589 Q C -1.740 173.998 176.000 -0.436 0.000 1.011 589 Q CA -1.177 54.491 55.803 -0.225 0.000 0.867 589 Q CB 2.047 30.653 28.738 -0.220 0.000 1.409 589 Q HN 0.576 nan 8.270 nan 0.000 0.395 590 A N 2.358 124.869 122.820 -0.515 0.000 2.306 590 A HA 0.713 5.034 4.320 0.003 0.000 0.330 590 A C -1.005 176.113 177.584 -0.777 0.000 1.146 590 A CA -0.553 51.115 52.037 -0.614 0.000 0.827 590 A CB 0.755 19.383 19.000 -0.619 0.000 1.178 590 A HN 0.742 nan 8.150 nan 0.000 0.490 591 H N 1.373 120.240 119.070 -0.338 0.000 2.529 591 H HA 0.343 4.900 4.556 0.002 0.000 0.348 591 H C -0.564 174.618 175.328 -0.242 0.000 1.079 591 H CA -0.433 55.428 56.048 -0.311 0.000 1.198 591 H CB 1.210 30.654 29.762 -0.530 0.000 1.521 591 H HN 0.545 nan 8.280 nan 0.000 0.514 592 I N 3.329 123.881 120.570 -0.030 0.000 2.710 592 I HA -0.150 4.022 4.170 0.003 0.000 0.286 592 I C 0.932 177.080 176.117 0.052 0.000 1.181 592 I CA 0.095 61.403 61.300 0.013 0.000 1.430 592 I CB 0.589 38.639 38.000 0.082 0.000 1.367 592 I HN 0.283 nan 8.210 nan 0.000 0.577 593 L N 7.887 129.143 121.223 0.055 0.000 2.500 593 L HA 0.192 4.534 4.340 0.003 0.000 0.272 593 L C -0.908 176.021 176.870 0.098 0.000 1.149 593 L CA 0.271 55.163 54.840 0.087 0.000 0.897 593 L CB 0.491 42.595 42.059 0.074 0.000 1.178 593 L HN 0.460 nan 8.230 nan 0.000 0.473 594 L N 6.121 127.417 121.223 0.122 0.000 2.528 594 L HA 0.472 4.813 4.340 0.003 0.000 0.267 594 L C -0.231 176.688 176.870 0.082 0.000 0.961 594 L CA -0.023 54.874 54.840 0.095 0.000 0.866 594 L CB 1.165 43.283 42.059 0.098 0.000 1.248 594 L HN 0.852 nan 8.230 nan 0.000 0.404 595 D N 2.492 122.924 120.400 0.053 0.000 3.775 595 D HA -0.321 4.320 4.640 0.003 0.000 0.161 595 D C 0.822 177.144 176.300 0.037 0.000 1.031 595 D CA 1.595 55.615 54.000 0.033 0.000 1.081 595 D CB -0.546 40.266 40.800 0.019 0.000 0.557 595 D HN 0.988 nan 8.370 nan 0.000 0.607 596 C N -0.097 119.214 119.300 0.019 0.000 4.933 596 C HA 0.141 4.603 4.460 0.003 0.000 0.249 596 C C 1.258 176.250 174.990 0.004 0.000 1.406 596 C CA 1.115 60.142 59.018 0.015 0.000 1.505 596 C CB -2.166 25.610 27.740 0.060 0.000 1.870 596 C HN 1.905 nan 8.230 nan 0.000 0.651 597 G N 0.898 109.699 108.800 0.002 0.000 2.828 597 G HA2 0.073 4.035 3.960 0.003 0.000 0.463 597 G HA3 0.073 4.035 3.960 0.003 0.000 0.463 597 G C 0.557 175.457 174.900 0.000 0.000 1.394 597 G CA 0.778 45.875 45.100 -0.004 0.000 0.862 597 G HN 1.220 nan 8.290 nan 0.000 0.540 598 E N 0.241 120.438 120.200 -0.005 0.000 2.160 598 E HA -0.201 4.151 4.350 0.003 0.000 0.195 598 E C 1.604 178.202 176.600 -0.003 0.000 0.991 598 E CA 2.400 58.798 56.400 -0.002 0.000 0.810 598 E CB -0.561 29.135 29.700 -0.006 0.000 0.742 598 E HN 0.772 nan 8.360 nan 0.000 0.466 599 D N 0.534 120.926 120.400 -0.013 0.000 2.363 599 D HA -0.128 4.513 4.640 0.003 0.000 0.226 599 D C 0.015 176.313 176.300 -0.002 0.000 1.020 599 D CA 0.469 54.457 54.000 -0.019 0.000 0.892 599 D CB -0.425 40.345 40.800 -0.050 0.000 0.900 599 D HN 0.064 nan 8.370 nan 0.000 0.531 600 N N -1.223 117.485 118.700 0.014 0.000 2.828 600 N HA -0.180 4.561 4.740 0.003 0.000 0.248 600 N C -0.612 174.934 175.510 0.059 0.000 1.044 600 N CA 0.975 54.049 53.050 0.039 0.000 0.851 600 N CB -1.651 36.862 38.487 0.042 0.000 1.136 600 N HN 0.407 nan 8.380 nan 0.000 0.572 601 V N 0.200 120.138 119.914 0.039 0.000 2.448 601 V HA 0.468 4.589 4.120 0.003 0.000 0.295 601 V C -0.091 176.032 176.094 0.049 0.000 1.025 601 V CA -0.762 61.580 62.300 0.069 0.000 0.859 601 V CB 1.670 33.509 31.823 0.027 0.000 0.988 601 V HN 0.268 nan 8.190 nan 0.000 0.431 602 C N 7.478 126.828 119.300 0.084 0.000 2.373 602 C HA 0.470 4.931 4.460 0.003 0.000 0.354 602 C C 0.360 175.341 174.990 -0.014 0.000 1.249 602 C CA -0.550 58.461 59.018 -0.012 0.000 1.784 602 C CB -0.603 27.054 27.740 -0.139 0.000 2.408 602 C HN 0.861 nan 8.230 nan 0.000 0.542 603 K N 6.325 126.707 120.400 -0.031 0.000 2.404 603 K HA 0.355 4.677 4.320 0.003 0.000 0.257 603 K C -2.441 174.134 176.600 -0.041 0.000 1.026 603 K CA -1.041 55.242 56.287 -0.008 0.000 0.951 603 K CB 1.491 33.979 32.500 -0.018 0.000 1.203 603 K HN 0.455 nan 8.250 nan 0.000 0.446 604 P HA 0.193 nan 4.420 nan 0.000 0.282 604 P C -0.869 176.410 177.300 -0.034 0.000 1.287 604 P CA -0.647 62.413 63.100 -0.065 0.000 0.792 604 P CB 0.739 32.384 31.700 -0.092 0.000 1.163 605 K N 1.416 121.795 120.400 -0.035 0.000 2.723 605 K HA 0.285 4.607 4.320 0.003 0.000 0.229 605 K C -1.427 175.159 176.600 -0.022 0.000 1.022 605 K CA -0.488 55.786 56.287 -0.022 0.000 1.045 605 K CB 0.208 32.697 32.500 -0.019 0.000 1.227 605 K HN 0.285 nan 8.250 nan 0.000 0.516 606 L N 2.907 124.119 121.223 -0.019 0.000 2.292 606 L HA 0.499 4.841 4.340 0.003 0.000 0.284 606 L C 0.266 177.129 176.870 -0.012 0.000 1.065 606 L CA -0.131 54.697 54.840 -0.019 0.000 0.806 606 L CB 0.863 42.910 42.059 -0.019 0.000 1.175 606 L HN 0.475 nan 8.230 nan 0.000 0.431 607 E N 1.921 122.113 120.200 -0.012 0.000 2.256 607 E HA 0.613 4.964 4.350 0.003 0.000 0.268 607 E C -1.329 175.265 176.600 -0.010 0.000 0.877 607 E CA -0.606 55.788 56.400 -0.009 0.000 0.757 607 E CB 3.436 33.130 29.700 -0.009 0.000 1.183 607 E HN 0.288 nan 8.360 nan 0.000 0.418 608 V N 1.922 121.831 119.914 -0.008 0.000 2.735 608 V HA 0.796 4.918 4.120 0.003 0.000 0.310 608 V C -1.408 174.678 176.094 -0.014 0.000 1.061 608 V CA -0.234 62.059 62.300 -0.012 0.000 0.913 608 V CB 1.900 33.718 31.823 -0.008 0.000 1.005 608 V HN 0.855 nan 8.190 nan 0.000 0.428 609 S N 5.052 120.736 115.700 -0.026 0.000 2.547 609 S HA 0.891 5.362 4.470 0.003 0.000 0.270 609 S C -1.007 173.550 174.600 -0.072 0.000 1.150 609 S CA -0.179 58.001 58.200 -0.034 0.000 0.850 609 S CB 1.357 64.545 63.200 -0.020 0.000 1.118 609 S HN 1.947 nan 8.310 nan 0.000 0.461 610 V N -1.386 118.460 119.914 -0.112 0.000 3.181 610 V HA 0.926 5.047 4.120 0.003 0.000 0.308 610 V C -1.604 174.367 176.094 -0.205 0.000 1.214 610 V CA -0.631 61.531 62.300 -0.231 0.000 1.053 610 V CB 1.886 33.431 31.823 -0.463 0.000 1.069 610 V HN 1.059 nan 8.190 nan 0.000 0.441 611 D N 0.197 120.465 120.400 -0.220 0.000 2.655 611 D HA 0.447 5.088 4.640 0.003 0.000 0.229 611 D C -0.731 175.612 176.300 0.072 0.000 1.229 611 D CA -0.014 53.984 54.000 -0.003 0.000 0.807 611 D CB 2.530 43.334 40.800 0.006 0.000 1.514 611 D HN 1.068 nan 8.370 nan 0.000 0.444 612 S N 1.535 117.362 115.700 0.211 0.000 2.416 612 S HA 0.101 4.572 4.470 0.003 0.000 0.302 612 S C 0.841 175.482 174.600 0.067 0.000 1.120 612 S CA -0.427 57.874 58.200 0.168 0.000 1.067 612 S CB 0.982 64.238 63.200 0.093 0.000 1.057 612 S HN 0.411 nan 8.310 nan 0.000 0.518 613 D N 2.745 123.173 120.400 0.048 0.000 2.084 613 D HA -0.110 4.531 4.640 0.003 0.000 0.194 613 D C 0.589 176.904 176.300 0.024 0.000 0.990 613 D CA 1.286 55.301 54.000 0.025 0.000 0.826 613 D CB 0.188 40.998 40.800 0.017 0.000 0.971 613 D HN 0.845 nan 8.370 nan 0.000 0.453 614 Q N 0.464 120.279 119.800 0.025 0.000 2.327 614 Q HA 0.240 4.582 4.340 0.003 0.000 0.270 614 Q C 0.075 176.070 176.000 -0.009 0.000 1.022 614 Q CA -0.591 55.221 55.803 0.014 0.000 0.773 614 Q CB 1.735 30.487 28.738 0.023 0.000 1.251 614 Q HN -0.015 nan 8.270 nan 0.000 0.457 615 K N 0.997 121.382 120.400 -0.025 0.000 2.366 615 K HA 0.068 4.390 4.320 0.003 0.000 0.198 615 K C 0.120 176.650 176.600 -0.116 0.000 1.044 615 K CA 0.630 56.883 56.287 -0.056 0.000 0.973 615 K CB 0.368 32.841 32.500 -0.046 0.000 0.767 615 K HN 0.397 nan 8.250 nan 0.000 0.475 616 K N 1.079 121.379 120.400 -0.166 0.000 2.207 616 K HA 0.403 4.724 4.320 0.003 0.000 0.255 616 K C -0.317 176.060 176.600 -0.371 0.000 0.941 616 K CA -0.442 55.627 56.287 -0.363 0.000 0.825 616 K CB 2.076 34.206 32.500 -0.617 0.000 1.119 616 K HN -0.055 nan 8.250 nan 0.000 0.430 617 I N 3.666 124.003 120.570 -0.389 0.000 2.437 617 I HA 0.195 4.367 4.170 0.003 0.000 0.279 617 I C -0.782 175.154 176.117 -0.302 0.000 1.028 617 I CA -0.890 60.258 61.300 -0.253 0.000 1.142 617 I CB 0.656 38.594 38.000 -0.104 0.000 1.266 617 I HN 0.429 nan 8.210 nan 0.000 0.461 618 Y N 6.099 126.371 120.300 -0.048 0.000 2.465 618 Y HA 0.259 4.810 4.550 0.002 0.000 0.331 618 Y C 0.754 176.600 175.900 -0.089 0.000 1.102 618 Y CA -0.171 57.885 58.100 -0.075 0.000 1.358 618 Y CB 0.419 38.850 38.460 -0.047 0.000 1.213 618 Y HN 0.371 nan 8.280 nan 0.000 0.525 619 I N 2.205 122.750 120.570 -0.043 0.000 2.779 619 I HA 0.249 4.420 4.170 0.003 0.000 0.285 619 I C 1.223 177.329 176.117 -0.019 0.000 1.134 619 I CA 0.805 62.031 61.300 -0.124 0.000 1.398 619 I CB 0.675 38.404 38.000 -0.452 0.000 1.404 619 I HN 0.958 nan 8.210 nan 0.000 0.587 620 G N 2.802 111.632 108.800 0.050 0.000 2.184 620 G HA2 -0.166 3.795 3.960 0.003 0.000 0.206 620 G HA3 -0.166 3.795 3.960 0.003 0.000 0.206 620 G C -0.400 174.557 174.900 0.096 0.000 0.995 620 G CA 0.114 45.282 45.100 0.113 0.000 0.651 620 G HN 0.854 nan 8.290 nan 0.000 0.511 621 D N -0.441 120.009 120.400 0.084 0.000 2.713 621 D HA 0.440 5.082 4.640 0.003 0.000 0.306 621 D C -1.413 174.931 176.300 0.073 0.000 1.299 621 D CA -0.609 53.440 54.000 0.082 0.000 0.823 621 D CB -0.092 40.749 40.800 0.068 0.000 1.353 621 D HN -0.122 nan 8.370 nan 0.000 0.447 622 D N 0.034 120.473 120.400 0.065 0.000 2.372 622 D HA 0.376 5.017 4.640 0.003 0.000 0.243 622 D C -0.274 176.025 176.300 -0.000 0.000 1.121 622 D CA 0.304 54.303 54.000 -0.001 0.000 0.898 622 D CB 0.260 41.059 40.800 -0.000 0.000 1.202 622 D HN 0.262 nan 8.370 nan 0.000 0.428 623 N N 1.356 120.039 118.700 -0.029 0.000 2.519 623 N HA 0.237 4.978 4.740 0.003 0.000 0.291 623 N C -2.938 172.582 175.510 0.016 0.000 1.107 623 N CA -1.396 51.664 53.050 0.018 0.000 0.904 623 N CB 2.446 40.957 38.487 0.039 0.000 1.500 623 N HN 0.033 nan 8.380 nan 0.000 0.510 624 P HA 0.216 nan 4.420 nan 0.000 0.276 624 P C -0.911 176.424 177.300 0.058 0.000 1.235 624 P CA -0.492 62.629 63.100 0.035 0.000 0.772 624 P CB 1.075 32.788 31.700 0.022 0.000 0.871 625 L N 2.903 124.181 121.223 0.092 0.000 2.528 625 L HA 0.562 4.904 4.340 0.003 0.000 0.267 625 L C -1.120 175.839 176.870 0.149 0.000 0.961 625 L CA -0.241 54.661 54.840 0.103 0.000 0.866 625 L CB 1.997 44.120 42.059 0.105 0.000 1.248 625 L HN 0.357 nan 8.230 nan 0.000 0.404 626 T N 5.841 120.446 114.554 0.086 0.000 2.807 626 T HA 0.787 5.139 4.350 0.003 0.000 0.279 626 T C -1.035 173.689 174.700 0.040 0.000 0.993 626 T CA -0.467 61.680 62.100 0.077 0.000 0.970 626 T CB 0.645 69.525 68.868 0.021 0.000 0.950 626 T HN 0.687 nan 8.240 nan 0.000 0.441 627 L N 3.443 124.686 121.223 0.033 0.000 2.365 627 L HA 0.804 5.145 4.340 0.003 0.000 0.273 627 L C -0.880 175.957 176.870 -0.055 0.000 1.000 627 L CA -1.057 53.748 54.840 -0.059 0.000 0.819 627 L CB 0.779 42.720 42.059 -0.196 0.000 1.284 627 L HN 0.412 nan 8.230 nan 0.000 0.418 628 I N 3.014 123.539 120.570 -0.076 0.000 2.428 628 I HA 0.550 4.722 4.170 0.003 0.000 0.289 628 I C -0.111 175.956 176.117 -0.082 0.000 1.019 628 I CA -0.126 61.139 61.300 -0.057 0.000 1.351 628 I CB 1.680 39.654 38.000 -0.042 0.000 1.412 628 I HN 0.418 nan 8.210 nan 0.000 0.513 629 V N 5.964 125.846 119.914 -0.054 0.000 2.604 629 V HA 0.439 4.561 4.120 0.003 0.000 0.305 629 V C -0.178 175.895 176.094 -0.035 0.000 1.043 629 V CA -0.992 61.276 62.300 -0.054 0.000 0.888 629 V CB 1.769 33.570 31.823 -0.037 0.000 0.995 629 V HN 0.651 nan 8.190 nan 0.000 0.429 630 K N 3.447 123.826 120.400 -0.035 0.000 2.464 630 K HA 0.745 5.067 4.320 0.003 0.000 0.252 630 K C -0.462 176.126 176.600 -0.020 0.000 1.000 630 K CA -0.342 55.931 56.287 -0.024 0.000 0.951 630 K CB 1.128 33.614 32.500 -0.023 0.000 1.183 630 K HN 0.872 nan 8.250 nan 0.000 0.445 631 A N 4.954 127.765 122.820 -0.016 0.000 2.260 631 A HA 0.338 4.659 4.320 0.003 0.000 0.314 631 A C -0.955 176.621 177.584 -0.014 0.000 1.257 631 A CA -0.632 51.397 52.037 -0.014 0.000 0.871 631 A CB 0.535 19.528 19.000 -0.011 0.000 1.166 631 A HN 0.821 nan 8.150 nan 0.000 0.522 632 Q N 1.672 121.463 119.800 -0.015 0.000 2.397 632 Q HA 0.470 4.812 4.340 0.003 0.000 0.275 632 Q C -1.220 174.768 176.000 -0.021 0.000 1.090 632 Q CA -0.788 55.005 55.803 -0.017 0.000 0.809 632 Q CB 1.749 30.478 28.738 -0.015 0.000 1.362 632 Q HN 0.701 nan 8.270 nan 0.000 0.431 633 N N 1.276 119.961 118.700 -0.025 0.000 2.476 633 N HA 0.087 4.828 4.740 0.003 0.000 0.257 633 N C -0.117 175.375 175.510 -0.031 0.000 0.970 633 N CA -0.221 52.809 53.050 -0.033 0.000 0.938 633 N CB 0.892 39.352 38.487 -0.045 0.000 1.144 633 N HN 0.533 nan 8.380 nan 0.000 0.500 634 Q N 1.927 121.710 119.800 -0.028 0.000 2.352 634 Q HA 0.172 4.514 4.340 0.003 0.000 0.212 634 Q C 1.042 177.025 176.000 -0.029 0.000 0.888 634 Q CA 0.081 55.869 55.803 -0.025 0.000 0.934 634 Q CB 0.906 29.633 28.738 -0.019 0.000 1.093 634 Q HN 0.714 nan 8.270 nan 0.000 0.523 635 G N 0.486 109.265 108.800 -0.035 0.000 2.666 635 G HA2 0.233 4.194 3.960 0.003 0.000 0.207 635 G HA3 0.233 4.194 3.960 0.003 0.000 0.207 635 G C -0.071 174.797 174.900 -0.054 0.000 1.481 635 G CA -0.419 44.656 45.100 -0.041 0.000 1.071 635 G HN 0.064 nan 8.290 nan 0.000 0.572 636 E N -0.810 119.349 120.200 -0.067 0.000 2.351 636 E HA 0.422 4.774 4.350 0.003 0.000 0.255 636 E C 0.609 177.124 176.600 -0.140 0.000 1.188 636 E CA -0.396 55.952 56.400 -0.087 0.000 0.940 636 E CB 0.475 30.127 29.700 -0.081 0.000 1.094 636 E HN 0.473 nan 8.360 nan 0.000 0.474 637 G N -0.103 108.593 108.800 -0.173 0.000 2.272 637 G HA2 0.264 4.226 3.960 0.003 0.000 0.247 637 G HA3 0.264 4.226 3.960 0.003 0.000 0.247 637 G C -0.495 174.132 174.900 -0.454 0.000 1.272 637 G CA -0.118 44.834 45.100 -0.247 0.000 0.921 637 G HN 0.410 nan 8.290 nan 0.000 0.495 638 A N 3.399 126.016 122.820 -0.338 0.000 2.252 638 A HA 0.627 4.949 4.320 0.003 0.000 0.309 638 A C -0.580 176.820 177.584 -0.306 0.000 1.285 638 A CA -0.681 51.149 52.037 -0.345 0.000 0.900 638 A CB 0.329 19.230 19.000 -0.165 0.000 1.157 638 A HN 0.624 nan 8.150 nan 0.000 0.536 639 Y N 1.128 121.337 120.300 -0.151 0.000 2.359 639 Y HA 0.266 4.818 4.550 0.002 0.000 0.330 639 Y C 1.097 176.916 175.900 -0.135 0.000 1.143 639 Y CA 0.012 57.949 58.100 -0.272 0.000 1.318 639 Y CB 0.226 38.384 38.460 -0.503 0.000 1.234 639 Y HN 0.921 nan 8.280 nan 0.000 0.522 640 E N -0.688 119.554 120.200 0.069 0.000 2.360 640 E HA -0.230 4.121 4.350 0.003 0.000 0.238 640 E C -0.436 176.190 176.600 0.044 0.000 1.186 640 E CA 0.244 56.693 56.400 0.081 0.000 0.719 640 E CB -1.159 28.612 29.700 0.118 0.000 1.236 640 E HN 0.660 nan 8.360 nan 0.000 0.386 641 A N 2.020 124.851 122.820 0.017 0.000 2.450 641 A HA 0.335 4.657 4.320 0.003 0.000 0.255 641 A C 0.519 178.109 177.584 0.010 0.000 1.096 641 A CA 0.356 52.393 52.037 0.000 0.000 0.778 641 A CB 0.298 19.285 19.000 -0.021 0.000 1.031 641 A HN 0.354 nan 8.150 nan 0.000 0.494 642 E N 2.046 122.251 120.200 0.008 0.000 2.352 642 E HA 0.466 4.817 4.350 0.003 0.000 0.280 642 E C -1.518 175.085 176.600 0.004 0.000 0.930 642 E CA -1.021 55.384 56.400 0.009 0.000 0.765 642 E CB 1.064 30.774 29.700 0.016 0.000 1.219 642 E HN 0.417 nan 8.360 nan 0.000 0.434 643 L N 3.051 124.276 121.223 0.002 0.000 2.367 643 L HA 0.293 4.634 4.340 0.003 0.000 0.275 643 L C -0.899 175.971 176.870 -0.000 0.000 1.129 643 L CA -0.343 54.498 54.840 0.000 0.000 0.839 643 L CB 0.675 42.733 42.059 -0.000 0.000 1.133 643 L HN 0.592 nan 8.230 nan 0.000 0.453 644 I N 7.294 127.866 120.570 0.003 0.000 2.557 644 I HA 0.158 4.329 4.170 0.003 0.000 0.277 644 I C -0.153 175.974 176.117 0.017 0.000 1.106 644 I CA -0.411 60.890 61.300 0.002 0.000 1.180 644 I CB 0.809 38.808 38.000 -0.002 0.000 1.392 644 I HN 0.319 nan 8.210 nan 0.000 0.506 645 V N 6.721 126.653 119.914 0.030 0.000 2.370 645 V HA 0.215 4.337 4.120 0.003 0.000 0.257 645 V C 0.681 176.828 176.094 0.088 0.000 1.064 645 V CA -0.105 62.239 62.300 0.073 0.000 0.975 645 V CB 0.642 32.529 31.823 0.107 0.000 1.067 645 V HN 0.755 nan 8.190 nan 0.000 0.485 646 S N 7.899 123.638 115.700 0.065 0.000 2.405 646 S HA 0.538 5.010 4.470 0.003 0.000 0.291 646 S C -0.358 174.249 174.600 0.011 0.000 1.137 646 S CA -0.731 57.489 58.200 0.034 0.000 1.061 646 S CB 0.426 63.627 63.200 0.002 0.000 1.001 646 S HN 0.873 nan 8.310 nan 0.000 0.507 647 I N -0.453 120.124 120.570 0.011 0.000 2.488 647 I HA 0.617 4.788 4.170 0.003 0.000 0.299 647 I C -2.842 173.112 176.117 -0.271 0.000 0.984 647 I CA -3.049 58.128 61.300 -0.205 0.000 1.250 647 I CB 0.475 38.471 38.000 -0.007 0.000 1.389 647 I HN 0.218 nan 8.210 nan 0.000 0.488 648 P HA 0.150 nan 4.420 nan 0.000 0.279 648 P C 0.242 177.453 177.300 -0.149 0.000 1.318 648 P CA 0.008 62.919 63.100 -0.315 0.000 0.819 648 P CB 0.905 32.357 31.700 -0.413 0.000 0.927 649 L N 2.492 123.702 121.223 -0.023 0.000 2.869 649 L HA -0.055 4.287 4.340 0.003 0.000 0.259 649 L C 1.693 178.598 176.870 0.060 0.000 1.162 649 L CA 0.547 55.432 54.840 0.075 0.000 0.975 649 L CB -0.430 41.717 42.059 0.145 0.000 1.217 649 L HN 0.355 nan 8.230 nan 0.000 0.418 650 Q N 0.044 119.860 119.800 0.026 0.000 2.365 650 Q HA 0.222 4.564 4.340 0.003 0.000 0.203 650 Q C 0.052 176.143 176.000 0.152 0.000 0.929 650 Q CA 0.060 55.906 55.803 0.073 0.000 0.948 650 Q CB 0.453 29.212 28.738 0.035 0.000 1.043 650 Q HN 0.474 nan 8.270 nan 0.000 0.505 651 A N -0.403 122.484 122.820 0.112 0.000 2.454 651 A HA 0.690 5.011 4.320 0.003 0.000 0.302 651 A C -1.277 176.418 177.584 0.185 0.000 1.079 651 A CA -0.866 51.259 52.037 0.147 0.000 0.731 651 A CB 1.357 20.399 19.000 0.069 0.000 1.299 651 A HN 0.147 nan 8.150 nan 0.000 0.413 652 D N -0.096 120.439 120.400 0.224 0.000 2.350 652 D HA 0.538 5.180 4.640 0.003 0.000 0.238 652 D C -1.431 175.070 176.300 0.335 0.000 0.989 652 D CA 0.041 54.133 54.000 0.153 0.000 0.921 652 D CB 1.699 42.586 40.800 0.145 0.000 1.297 652 D HN 0.301 nan 8.370 nan 0.000 0.490 653 F N 1.557 121.508 119.950 0.002 0.000 2.404 653 F HA 0.373 4.901 4.527 0.003 0.000 0.354 653 F C 0.625 176.354 175.800 -0.119 0.000 1.122 653 F CA -0.662 57.330 58.000 -0.012 0.000 1.080 653 F CB 0.460 39.487 39.000 0.045 0.000 1.131 653 F HN 0.315 nan 8.300 nan 0.000 0.471 654 I N 3.561 123.725 120.570 -0.678 0.000 2.364 654 I HA 0.290 4.462 4.170 0.003 0.000 0.241 654 I C 1.225 176.748 176.117 -0.989 0.000 1.082 654 I CA 0.805 61.734 61.300 -0.619 0.000 1.401 654 I CB -0.452 37.324 38.000 -0.372 0.000 1.126 654 I HN 0.700 nan 8.210 nan 0.000 0.429 655 G N -0.242 107.712 108.800 -1.410 0.000 2.316 655 G HA2 0.281 4.242 3.960 0.003 0.000 0.296 655 G HA3 0.281 4.242 3.960 0.003 0.000 0.296 655 G C -1.715 172.925 174.900 -0.432 0.000 1.399 655 G CA -0.523 43.950 45.100 -1.045 0.000 0.833 655 G HN -0.096 nan 8.290 nan 0.000 0.565 656 V N 0.283 120.169 119.914 -0.046 0.000 2.881 656 V HA 0.560 4.682 4.120 0.003 0.000 0.303 656 V C 0.986 177.055 176.094 -0.041 0.000 1.070 656 V CA 0.145 62.470 62.300 0.043 0.000 1.074 656 V CB 1.351 33.227 31.823 0.089 0.000 1.012 656 V HN 1.645 nan 8.190 nan 0.000 0.482 657 V N 6.560 126.456 119.914 -0.030 0.000 2.530 657 V HA 0.595 4.717 4.120 0.003 0.000 0.282 657 V C 0.437 176.516 176.094 -0.025 0.000 1.048 657 V CA -0.417 61.859 62.300 -0.039 0.000 0.997 657 V CB 1.051 32.855 31.823 -0.032 0.000 0.987 657 V HN 0.971 nan 8.190 nan 0.000 0.477 658 R N 2.836 123.318 120.500 -0.029 0.000 2.881 658 R HA 0.360 4.702 4.340 0.003 0.000 0.331 658 R C -0.374 175.914 176.300 -0.020 0.000 1.207 658 R CA -0.184 55.904 56.100 -0.020 0.000 1.265 658 R CB -0.465 29.823 30.300 -0.020 0.000 1.351 658 R HN 0.706 nan 8.270 nan 0.000 0.613 659 N N 1.259 119.947 118.700 -0.020 0.000 2.291 659 N HA 0.064 4.806 4.740 0.003 0.000 0.244 659 N C -1.213 174.290 175.510 -0.013 0.000 1.216 659 N CA -0.263 52.777 53.050 -0.017 0.000 0.879 659 N CB 0.425 38.900 38.487 -0.021 0.000 1.167 659 N HN 0.369 nan 8.380 nan 0.000 0.515 660 N N 0.359 119.052 118.700 -0.011 0.000 2.999 660 N HA -0.009 4.733 4.740 0.003 0.000 0.244 660 N C 0.097 175.603 175.510 -0.007 0.000 1.106 660 N CA -0.211 52.834 53.050 -0.008 0.000 1.018 660 N CB 0.843 39.324 38.487 -0.009 0.000 1.600 660 N HN 0.208 nan 8.380 nan 0.000 0.621 661 E N 2.086 122.283 120.200 -0.005 0.000 2.418 661 E HA 0.045 4.397 4.350 0.003 0.000 0.197 661 E C 1.013 177.611 176.600 -0.004 0.000 1.026 661 E CA 0.794 57.192 56.400 -0.004 0.000 0.862 661 E CB 0.152 29.850 29.700 -0.004 0.000 0.799 661 E HN 0.472 nan 8.360 nan 0.000 0.518 662 A N 0.858 123.675 122.820 -0.004 0.000 2.014 662 A HA 0.058 4.380 4.320 0.003 0.000 0.218 662 A C 0.883 178.464 177.584 -0.005 0.000 1.163 662 A CA 0.488 52.522 52.037 -0.005 0.000 0.652 662 A CB -0.067 18.930 19.000 -0.005 0.000 0.808 662 A HN 0.165 nan 8.150 nan 0.000 0.449 663 L N -0.570 120.650 121.223 -0.005 0.000 2.322 663 L HA 0.631 4.973 4.340 0.003 0.000 0.279 663 L C 0.552 177.421 176.870 -0.002 0.000 1.036 663 L CA -0.415 54.422 54.840 -0.004 0.000 0.807 663 L CB 1.158 43.214 42.059 -0.005 0.000 1.226 663 L HN 0.191 nan 8.230 nan 0.000 0.433 664 A N 2.468 125.288 122.820 0.000 0.000 2.354 664 A HA 0.650 4.971 4.320 0.003 0.000 0.269 664 A C -0.212 177.377 177.584 0.008 0.000 1.109 664 A CA -0.570 51.469 52.037 0.003 0.000 0.800 664 A CB 0.087 19.089 19.000 0.004 0.000 1.045 664 A HN 0.681 nan 8.150 nan 0.000 0.489 665 R N 2.499 123.005 120.500 0.009 0.000 2.522 665 R HA 0.533 4.875 4.340 0.003 0.000 0.290 665 R C -0.877 175.436 176.300 0.023 0.000 1.216 665 R CA -0.187 55.922 56.100 0.014 0.000 1.250 665 R CB -0.627 29.678 30.300 0.009 0.000 1.143 665 R HN 0.522 nan 8.270 nan 0.000 0.553 666 L N 0.544 121.786 121.223 0.031 0.000 2.475 666 L HA 0.350 4.691 4.340 0.003 0.000 0.253 666 L C 0.196 177.096 176.870 0.051 0.000 1.198 666 L CA -0.599 54.263 54.840 0.036 0.000 0.814 666 L CB 0.950 43.030 42.059 0.034 0.000 1.134 666 L HN 0.531 nan 8.230 nan 0.000 0.478 667 S N -0.005 115.725 115.700 0.049 0.000 2.410 667 S HA 0.442 4.914 4.470 0.003 0.000 0.304 667 S C -0.630 174.014 174.600 0.073 0.000 1.095 667 S CA -0.712 57.523 58.200 0.059 0.000 1.089 667 S CB 0.483 63.711 63.200 0.046 0.000 0.968 667 S HN 0.473 nan 8.310 nan 0.000 0.480 668 c N 2.353 121.022 118.600 0.114 0.000 2.779 668 c HA 1.023 5.594 4.570 0.003 0.000 0.314 668 c C 0.166 174.369 174.090 0.189 0.000 1.231 668 c CA -0.674 55.736 56.329 0.134 0.000 1.652 668 c CB 1.117 43.727 42.510 0.166 0.000 2.198 668 c HN 0.949 nan 8.230 nan 0.000 0.483 669 A N 0.905 123.824 122.820 0.165 0.000 2.566 669 A HA 0.727 5.049 4.320 0.003 0.000 0.297 669 A C -1.397 176.318 177.584 0.219 0.000 1.059 669 A CA -0.303 51.861 52.037 0.212 0.000 0.691 669 A CB 0.828 19.911 19.000 0.138 0.000 1.282 669 A HN 0.839 nan 8.150 nan 0.000 0.401 670 F N 2.483 122.529 119.950 0.160 0.000 2.385 670 F HA 0.699 5.227 4.527 0.002 0.000 0.336 670 F C 0.392 176.256 175.800 0.107 0.000 1.100 670 F CA 0.142 58.225 58.000 0.138 0.000 1.116 670 F CB 1.060 40.199 39.000 0.232 0.000 1.166 670 F HN 0.729 nan 8.300 nan 0.000 0.511 671 K N 2.054 122.005 120.400 -0.749 0.000 2.555 671 K HA 0.653 4.974 4.320 0.003 0.000 0.279 671 K C -1.786 174.435 176.600 -0.632 0.000 0.986 671 K CA -1.051 54.927 56.287 -0.515 0.000 0.880 671 K CB 1.942 34.331 32.500 -0.185 0.000 1.474 671 K HN 0.444 nan 8.250 nan 0.000 0.433 672 T N 1.532 115.901 114.554 -0.308 0.000 3.160 672 T HA 0.162 4.514 4.350 0.003 0.000 0.344 672 T C -1.291 173.362 174.700 -0.079 0.000 0.981 672 T CA -0.543 61.443 62.100 -0.190 0.000 1.170 672 T CB 0.686 69.482 68.868 -0.121 0.000 1.016 672 T HN 0.600 nan 8.240 nan 0.000 0.492 673 E N 2.863 123.024 120.200 -0.064 0.000 2.122 673 E HA 0.234 4.585 4.350 0.003 0.000 0.288 673 E C -0.380 176.210 176.600 -0.017 0.000 1.260 673 E CA -0.467 55.919 56.400 -0.024 0.000 1.344 673 E CB -0.249 29.442 29.700 -0.015 0.000 1.337 673 E HN 0.650 nan 8.360 nan 0.000 0.484 674 N N 2.840 121.531 118.700 -0.016 0.000 3.734 674 N HA -0.217 4.524 4.740 0.003 0.000 0.293 674 N C -0.061 175.442 175.510 -0.011 0.000 2.048 674 N CA 0.235 53.279 53.050 -0.009 0.000 2.515 674 N CB 0.046 38.532 38.487 -0.001 0.000 0.580 674 N HN 0.394 nan 8.380 nan 0.000 0.627 675 Q N -3.800 115.995 119.800 -0.007 0.000 2.604 675 Q HA -0.280 4.061 4.340 0.003 0.000 0.160 675 Q C 0.507 176.498 176.000 -0.015 0.000 1.724 675 Q CA 2.413 58.212 55.803 -0.006 0.000 1.083 675 Q CB -2.183 26.552 28.738 -0.005 0.000 1.016 675 Q HN 0.967 nan 8.270 nan 0.000 0.939 676 T N 0.351 114.888 114.554 -0.028 0.000 2.860 676 T HA 0.499 4.850 4.350 0.003 0.000 0.299 676 T C 0.245 174.909 174.700 -0.060 0.000 1.045 676 T CA -0.089 61.984 62.100 -0.045 0.000 1.071 676 T CB 0.925 69.757 68.868 -0.060 0.000 0.985 676 T HN 0.339 nan 8.240 nan 0.000 0.537 677 R N 0.954 121.417 120.500 -0.062 0.000 2.984 677 R HA 0.348 4.690 4.340 0.003 0.000 0.252 677 R C -0.825 175.469 176.300 -0.011 0.000 1.842 677 R CA -0.724 55.359 56.100 -0.029 0.000 1.389 677 R CB -0.166 30.164 30.300 0.050 0.000 1.454 677 R HN 0.921 nan 8.270 nan 0.000 0.578 678 Q N 0.222 119.922 119.800 -0.167 0.000 2.418 678 Q HA 0.687 5.028 4.340 0.003 0.000 0.282 678 Q C -1.417 174.539 176.000 -0.073 0.000 1.044 678 Q CA -1.240 54.526 55.803 -0.062 0.000 0.813 678 Q CB 2.347 31.038 28.738 -0.078 0.000 1.428 678 Q HN 0.116 nan 8.270 nan 0.000 0.402 679 V N 1.433 121.390 119.914 0.072 0.000 2.472 679 V HA 0.496 4.618 4.120 0.003 0.000 0.290 679 V C -0.445 175.617 176.094 -0.053 0.000 1.037 679 V CA -0.824 61.469 62.300 -0.011 0.000 0.908 679 V CB 1.463 33.109 31.823 -0.295 0.000 0.985 679 V HN 0.617 nan 8.190 nan 0.000 0.454 680 V N 5.281 125.170 119.914 -0.042 0.000 2.378 680 V HA 0.546 4.667 4.120 0.003 0.000 0.288 680 V C -0.465 175.624 176.094 -0.007 0.000 1.016 680 V CA -0.102 62.185 62.300 -0.021 0.000 0.840 680 V CB 1.101 32.917 31.823 -0.011 0.000 0.994 680 V HN 1.059 nan 8.190 nan 0.000 0.431 681 c N 5.277 123.873 118.600 -0.007 0.000 2.417 681 c HA 0.582 5.153 4.570 0.003 0.000 0.324 681 c C -0.446 173.654 174.090 0.016 0.000 1.240 681 c CA -0.861 55.473 56.329 0.009 0.000 1.632 681 c CB 1.277 43.788 42.510 0.001 0.000 2.241 681 c HN 0.835 nan 8.230 nan 0.000 0.499 682 D N 2.245 122.660 120.400 0.026 0.000 2.312 682 D HA 0.271 4.913 4.640 0.003 0.000 0.252 682 D C 0.357 176.669 176.300 0.020 0.000 1.150 682 D CA 0.042 54.057 54.000 0.025 0.000 0.870 682 D CB 0.985 41.804 40.800 0.032 0.000 1.153 682 D HN 0.455 nan 8.370 nan 0.000 0.457 683 L N 1.413 122.644 121.223 0.014 0.000 2.818 683 L HA 0.342 4.683 4.340 0.003 0.000 0.243 683 L C 0.832 177.706 176.870 0.007 0.000 1.185 683 L CA -0.326 54.519 54.840 0.008 0.000 0.988 683 L CB -0.139 41.920 42.059 -0.000 0.000 1.292 683 L HN 0.567 nan 8.230 nan 0.000 0.519 684 G N 0.635 109.444 108.800 0.016 0.000 2.907 684 G HA2 -0.247 3.714 3.960 0.003 0.000 0.686 684 G HA3 -0.247 3.714 3.960 0.003 0.000 0.686 684 G C -0.160 174.756 174.900 0.025 0.000 1.115 684 G CA -0.041 45.071 45.100 0.019 0.000 0.760 684 G HN 0.291 nan 8.290 nan 0.000 0.620 685 N N 1.165 119.891 118.700 0.044 0.000 2.048 685 N HA 0.041 4.783 4.740 0.003 0.000 0.193 685 N C -1.343 174.195 175.510 0.046 0.000 1.061 685 N CA 1.183 54.272 53.050 0.066 0.000 0.849 685 N CB 0.133 38.684 38.487 0.106 0.000 1.044 685 N HN 0.488 nan 8.380 nan 0.000 0.429 686 P HA 0.061 nan 4.420 nan 0.000 0.274 686 P C -1.043 176.251 177.300 -0.010 0.000 1.470 686 P CA 0.268 63.385 63.100 0.027 0.000 1.001 686 P CB 0.285 32.035 31.700 0.084 0.000 1.332 687 M N 4.534 124.109 119.600 -0.041 0.000 2.538 687 M HA 0.072 4.554 4.480 0.003 0.000 0.327 687 M C 0.353 176.618 176.300 -0.059 0.000 1.545 687 M CA -0.021 55.255 55.300 -0.040 0.000 1.380 687 M CB 0.045 32.620 32.600 -0.042 0.000 1.657 687 M HN 0.074 nan 8.290 nan 0.000 0.459 688 K N 2.956 123.333 120.400 -0.038 0.000 2.234 688 K HA 0.201 4.522 4.320 0.003 0.000 0.251 688 K C 0.080 176.653 176.600 -0.045 0.000 1.011 688 K CA 0.115 56.378 56.287 -0.040 0.000 0.889 688 K CB 0.282 32.772 32.500 -0.017 0.000 1.011 688 K HN 0.811 nan 8.250 nan 0.000 0.505 689 A N 0.049 122.843 122.820 -0.044 0.000 2.498 689 A HA 0.375 4.696 4.320 0.003 0.000 0.239 689 A C 1.217 178.784 177.584 -0.028 0.000 1.068 689 A CA 0.743 52.756 52.037 -0.040 0.000 0.766 689 A CB -0.516 18.462 19.000 -0.037 0.000 1.003 689 A HN 0.855 nan 8.150 nan 0.000 0.497 690 G N 1.475 110.259 108.800 -0.027 0.000 2.196 690 G HA2 -0.241 3.720 3.960 0.003 0.000 0.268 690 G HA3 -0.241 3.720 3.960 0.003 0.000 0.268 690 G C 0.569 175.459 174.900 -0.017 0.000 0.975 690 G CA 1.261 46.349 45.100 -0.020 0.000 0.648 690 G HN 2.187 nan 8.290 nan 0.000 0.538 691 T N -0.536 114.007 114.554 -0.019 0.000 2.855 691 T HA 0.561 4.913 4.350 0.003 0.000 0.290 691 T C 0.246 174.938 174.700 -0.015 0.000 0.941 691 T CA -0.168 61.922 62.100 -0.015 0.000 1.030 691 T CB 0.876 69.735 68.868 -0.015 0.000 0.935 691 T HN 0.507 nan 8.240 nan 0.000 0.564 692 Q N 2.460 122.253 119.800 -0.012 0.000 2.267 692 Q HA 0.549 4.891 4.340 0.003 0.000 0.255 692 Q C -0.844 175.151 176.000 -0.009 0.000 0.923 692 Q CA -0.844 54.952 55.803 -0.011 0.000 0.925 692 Q CB 1.255 29.987 28.738 -0.011 0.000 1.195 692 Q HN 0.519 nan 8.270 nan 0.000 0.417 693 L N 2.449 123.666 121.223 -0.009 0.000 2.354 693 L HA 0.526 4.867 4.340 0.003 0.000 0.269 693 L C -1.177 175.688 176.870 -0.008 0.000 1.005 693 L CA -0.590 54.246 54.840 -0.007 0.000 0.819 693 L CB 1.793 43.849 42.059 -0.005 0.000 1.311 693 L HN 0.480 nan 8.230 nan 0.000 0.423 694 L N 2.516 123.735 121.223 -0.007 0.000 2.381 694 L HA 0.942 5.283 4.340 0.003 0.000 0.274 694 L C -0.872 175.995 176.870 -0.006 0.000 0.988 694 L CA -0.149 54.685 54.840 -0.009 0.000 0.824 694 L CB 1.514 43.567 42.059 -0.009 0.000 1.263 694 L HN 0.705 nan 8.230 nan 0.000 0.410 695 A N 2.960 125.775 122.820 -0.007 0.000 2.515 695 A HA 0.871 5.193 4.320 0.003 0.000 0.298 695 A C -0.651 176.932 177.584 -0.002 0.000 1.059 695 A CA -0.104 51.933 52.037 -0.000 0.000 0.698 695 A CB 1.592 20.596 19.000 0.007 0.000 1.289 695 A HN 0.859 nan 8.150 nan 0.000 0.404 696 G N 0.579 109.381 108.800 0.003 0.000 2.417 696 G HA2 0.587 4.548 3.960 0.003 0.000 0.320 696 G HA3 0.587 4.548 3.960 0.003 0.000 0.320 696 G C -0.955 173.952 174.900 0.012 0.000 1.204 696 G CA -0.453 44.648 45.100 0.001 0.000 0.923 696 G HN 0.654 nan 8.290 nan 0.000 0.466 697 L N 2.929 124.163 121.223 0.019 0.000 2.316 697 L HA 0.499 4.840 4.340 0.003 0.000 0.280 697 L C 0.415 177.178 176.870 -0.177 0.000 1.006 697 L CA -0.990 53.845 54.840 -0.008 0.000 0.836 697 L CB 1.569 43.650 42.059 0.036 0.000 1.221 697 L HN 0.674 nan 8.230 nan 0.000 0.418 698 R N 2.006 122.350 120.500 -0.260 0.000 2.404 698 R HA 0.802 5.143 4.340 0.003 0.000 0.291 698 R C -1.268 174.733 176.300 -0.497 0.000 1.025 698 R CA -0.397 55.554 56.100 -0.250 0.000 0.991 698 R CB 1.032 31.239 30.300 -0.155 0.000 1.053 698 R HN 0.222 nan 8.270 nan 0.000 0.479 699 F N -0.247 119.751 119.950 0.079 0.000 2.691 699 F HA 0.558 5.087 4.527 0.003 0.000 0.334 699 F C -0.009 175.805 175.800 0.023 0.000 1.107 699 F CA -1.103 56.964 58.000 0.111 0.000 0.991 699 F CB 2.518 41.638 39.000 0.201 0.000 1.400 699 F HN 0.540 nan 8.300 nan 0.000 0.503 700 S N 0.706 116.535 115.700 0.215 0.000 2.677 700 S HA 0.581 5.052 4.470 0.003 0.000 0.283 700 S C -1.942 172.585 174.600 -0.123 0.000 1.159 700 S CA -0.555 57.643 58.200 -0.002 0.000 1.001 700 S CB 1.361 64.490 63.200 -0.118 0.000 1.032 700 S HN 0.573 nan 8.310 nan 0.000 0.487 701 V N 6.823 126.679 119.914 -0.096 0.000 2.398 701 V HA 0.514 4.635 4.120 0.003 0.000 0.286 701 V C 0.524 176.527 176.094 -0.151 0.000 1.026 701 V CA -0.179 62.070 62.300 -0.084 0.000 0.868 701 V CB 1.055 32.904 31.823 0.043 0.000 0.982 701 V HN 1.101 nan 8.190 nan 0.000 0.443 702 H N 3.429 122.531 119.070 0.053 0.000 2.431 702 H HA 0.033 4.591 4.556 0.002 0.000 0.295 702 H C 1.031 176.382 175.328 0.039 0.000 1.038 702 H CA 0.635 56.709 56.048 0.044 0.000 1.360 702 H CB 0.172 29.956 29.762 0.036 0.000 1.433 702 H HN 0.710 nan 8.280 nan 0.000 0.536 703 Q N 2.744 122.636 119.800 0.154 0.000 2.524 703 Q HA -0.225 4.117 4.340 0.003 0.000 0.241 703 Q C 1.149 177.203 176.000 0.090 0.000 1.234 703 Q CA 0.332 56.192 55.803 0.094 0.000 0.852 703 Q CB -0.463 28.305 28.738 0.049 0.000 0.965 703 Q HN 0.507 nan 8.270 nan 0.000 0.331 704 Q N 1.049 120.912 119.800 0.105 0.000 2.354 704 Q HA 0.059 4.400 4.340 0.003 0.000 0.203 704 Q C 0.134 176.225 176.000 0.151 0.000 0.933 704 Q CA 0.548 56.422 55.803 0.117 0.000 0.901 704 Q CB 0.438 29.237 28.738 0.103 0.000 1.007 704 Q HN 0.590 nan 8.270 nan 0.000 0.495 705 S N 0.106 115.880 115.700 0.124 0.000 2.669 705 S HA 0.100 4.571 4.470 0.003 0.000 0.270 705 S C -0.439 174.267 174.600 0.176 0.000 1.225 705 S CA -0.498 57.782 58.200 0.134 0.000 0.991 705 S CB 0.900 64.148 63.200 0.081 0.000 0.987 705 S HN 0.209 nan 8.310 nan 0.000 0.552 706 E N 1.962 122.269 120.200 0.179 0.000 2.368 706 E HA 0.211 4.563 4.350 0.003 0.000 0.283 706 E C 0.342 177.014 176.600 0.121 0.000 1.476 706 E CA 0.004 56.536 56.400 0.219 0.000 1.786 706 E CB -0.174 29.636 29.700 0.185 0.000 1.518 706 E HN 0.483 nan 8.360 nan 0.000 0.456 707 M N -0.263 119.389 119.600 0.087 0.000 2.247 707 M HA 0.076 4.558 4.480 0.003 0.000 0.202 707 M C 0.844 177.167 176.300 0.039 0.000 0.974 707 M CA 0.013 55.343 55.300 0.050 0.000 1.767 707 M CB -0.133 32.487 32.600 0.032 0.000 1.059 707 M HN 0.093 nan 8.290 nan 0.000 0.855 708 D N 0.126 120.535 120.400 0.016 0.000 2.368 708 D HA -0.031 4.611 4.640 0.003 0.000 0.240 708 D C 0.800 177.101 176.300 0.001 0.000 1.169 708 D CA 0.377 54.380 54.000 0.005 0.000 0.906 708 D CB 1.038 41.832 40.800 -0.011 0.000 1.187 708 D HN 0.451 nan 8.370 nan 0.000 0.435 709 T N 0.023 114.574 114.554 -0.004 0.000 2.881 709 T HA -0.058 4.294 4.350 0.003 0.000 0.270 709 T C 0.700 175.378 174.700 -0.037 0.000 1.068 709 T CA 1.464 63.554 62.100 -0.016 0.000 1.131 709 T CB -0.178 68.681 68.868 -0.015 0.000 0.871 709 T HN 0.443 nan 8.240 nan 0.000 0.479 710 S N -1.243 114.434 115.700 -0.038 0.000 2.806 710 S HA 0.740 5.211 4.470 0.003 0.000 0.306 710 S C -1.219 173.355 174.600 -0.044 0.000 1.167 710 S CA -0.823 57.348 58.200 -0.048 0.000 0.847 710 S CB 1.882 65.051 63.200 -0.053 0.000 1.216 710 S HN 0.038 nan 8.310 nan 0.000 0.532 711 V N 1.245 121.135 119.914 -0.039 0.000 2.656 711 V HA 0.719 4.841 4.120 0.003 0.000 0.307 711 V C -1.207 174.861 176.094 -0.043 0.000 1.051 711 V CA -0.637 61.628 62.300 -0.058 0.000 0.893 711 V CB 1.731 33.523 31.823 -0.052 0.000 0.999 711 V HN 1.019 nan 8.190 nan 0.000 0.426 712 K N 5.892 126.216 120.400 -0.127 0.000 2.244 712 K HA 0.480 4.801 4.320 0.003 0.000 0.260 712 K C -2.040 174.436 176.600 -0.205 0.000 0.951 712 K CA -0.292 55.955 56.287 -0.067 0.000 0.826 712 K CB 1.434 33.900 32.500 -0.056 0.000 1.108 712 K HN 0.486 nan 8.250 nan 0.000 0.433 713 F N 2.103 122.036 119.950 -0.028 0.000 2.458 713 F HA 0.302 4.831 4.527 0.002 0.000 0.336 713 F C -0.055 175.743 175.800 -0.004 0.000 1.114 713 F CA -0.606 57.370 58.000 -0.040 0.000 0.987 713 F CB 1.696 40.657 39.000 -0.064 0.000 1.130 713 F HN 0.407 nan 8.300 nan 0.000 0.458 714 D N 3.901 124.377 120.400 0.127 0.000 2.278 714 D HA 0.649 5.291 4.640 0.003 0.000 0.245 714 D C -1.089 175.261 176.300 0.083 0.000 1.052 714 D CA -0.278 53.775 54.000 0.087 0.000 0.834 714 D CB 1.873 42.695 40.800 0.036 0.000 1.194 714 D HN 0.222 nan 8.370 nan 0.000 0.481 715 L N 0.378 121.640 121.223 0.065 0.000 2.422 715 L HA 0.700 5.041 4.340 0.003 0.000 0.264 715 L C -0.691 176.193 176.870 0.025 0.000 0.984 715 L CA -0.996 53.870 54.840 0.044 0.000 0.819 715 L CB 1.481 43.563 42.059 0.039 0.000 1.330 715 L HN 0.380 nan 8.230 nan 0.000 0.410 716 Q N 1.751 121.560 119.800 0.016 0.000 2.391 716 Q HA 0.755 5.096 4.340 0.003 0.000 0.279 716 Q C -1.713 174.289 176.000 0.003 0.000 1.028 716 Q CA -0.810 54.998 55.803 0.008 0.000 0.836 716 Q CB 2.313 31.055 28.738 0.007 0.000 1.414 716 Q HN 0.697 nan 8.270 nan 0.000 0.397 717 I N 2.348 122.917 120.570 -0.001 0.000 2.532 717 I HA 0.274 4.445 4.170 0.003 0.000 0.292 717 I C -0.127 175.988 176.117 -0.004 0.000 1.014 717 I CA -0.249 61.049 61.300 -0.004 0.000 1.340 717 I CB 1.317 39.312 38.000 -0.008 0.000 1.422 717 I HN 0.716 nan 8.210 nan 0.000 0.528 718 Q N 4.052 123.850 119.800 -0.003 0.000 2.418 718 Q HA 0.735 5.076 4.340 0.003 0.000 0.282 718 Q C -1.480 174.520 176.000 0.000 0.000 1.044 718 Q CA -0.932 54.869 55.803 -0.003 0.000 0.813 718 Q CB 2.314 31.051 28.738 -0.001 0.000 1.428 718 Q HN 0.695 nan 8.270 nan 0.000 0.402 719 S N -0.138 115.562 115.700 0.000 0.000 2.685 719 S HA 0.551 5.023 4.470 0.003 0.000 0.282 719 S C -0.058 174.559 174.600 0.029 0.000 1.159 719 S CA -0.178 58.027 58.200 0.009 0.000 0.833 719 S CB 1.413 64.600 63.200 -0.022 0.000 1.151 719 S HN 0.931 nan 8.310 nan 0.000 0.485 720 S N -0.343 115.398 115.700 0.069 0.000 2.622 720 S HA 0.255 4.726 4.470 0.003 0.000 0.236 720 S C 0.066 174.744 174.600 0.129 0.000 0.956 720 S CA -0.722 57.535 58.200 0.095 0.000 0.971 720 S CB -1.123 62.158 63.200 0.135 0.000 0.782 720 S HN 0.627 nan 8.310 nan 0.000 0.468 721 N N 0.858 119.617 118.700 0.099 0.000 2.503 721 N HA 0.222 4.963 4.740 0.003 0.000 0.267 721 N C 0.251 175.777 175.510 0.027 0.000 1.214 721 N CA -0.526 52.590 53.050 0.110 0.000 0.959 721 N CB 0.734 39.238 38.487 0.030 0.000 1.142 721 N HN 0.049 nan 8.380 nan 0.000 0.455 722 L N 1.281 122.513 121.223 0.015 0.000 2.141 722 L HA 0.085 4.427 4.340 0.003 0.000 0.209 722 L C -0.025 176.538 176.870 -0.512 0.000 1.094 722 L CA 1.519 56.210 54.840 -0.249 0.000 0.763 722 L CB -0.286 41.611 42.059 -0.271 0.000 0.908 722 L HN 0.450 nan 8.230 nan 0.000 0.437 723 F N -1.180 118.775 119.950 0.007 0.000 2.546 723 F HA 0.329 4.857 4.527 0.002 0.000 0.320 723 F C 0.430 176.219 175.800 -0.018 0.000 1.076 723 F CA -1.581 56.416 58.000 -0.005 0.000 0.928 723 F CB 1.114 40.111 39.000 -0.005 0.000 1.189 723 F HN -0.098 nan 8.300 nan 0.000 0.465 724 D N 0.611 121.107 120.400 0.160 0.000 2.701 724 D HA -0.218 4.423 4.640 0.003 0.000 0.235 724 D C 1.080 177.398 176.300 0.030 0.000 1.155 724 D CA 0.965 55.012 54.000 0.077 0.000 0.649 724 D CB -0.497 40.344 40.800 0.068 0.000 1.050 724 D HN 0.809 nan 8.370 nan 0.000 0.425 725 K N -1.065 119.344 120.400 0.014 0.000 2.459 725 K HA 0.079 4.401 4.320 0.003 0.000 0.193 725 K C 0.879 177.473 176.600 -0.009 0.000 1.030 725 K CA 0.328 56.612 56.287 -0.005 0.000 1.026 725 K CB 0.450 32.942 32.500 -0.013 0.000 0.809 725 K HN 0.264 nan 8.250 nan 0.000 0.504 726 V N -1.235 118.676 119.914 -0.005 0.000 3.040 726 V HA 0.510 4.632 4.120 0.003 0.000 0.312 726 V C -0.177 175.915 176.094 -0.003 0.000 1.115 726 V CA -0.848 61.449 62.300 -0.005 0.000 0.998 726 V CB 1.704 33.525 31.823 -0.004 0.000 1.042 726 V HN 0.269 nan 8.190 nan 0.000 0.433 727 S N 2.019 117.717 115.700 -0.004 0.000 2.645 727 S HA 0.716 5.188 4.470 0.003 0.000 0.266 727 S C -2.559 172.042 174.600 0.002 0.000 1.258 727 S CA -1.113 57.085 58.200 -0.002 0.000 0.990 727 S CB 0.734 63.932 63.200 -0.003 0.000 0.967 727 S HN 0.825 nan 8.310 nan 0.000 0.556 728 P HA 0.252 nan 4.420 nan 0.000 0.272 728 P C -0.778 176.527 177.300 0.008 0.000 1.223 728 P CA -0.597 62.506 63.100 0.006 0.000 0.784 728 P CB 0.276 31.980 31.700 0.007 0.000 0.923 729 V N 2.576 122.496 119.914 0.010 0.000 2.715 729 V HA 0.143 4.264 4.120 0.003 0.000 0.299 729 V C 0.400 176.506 176.094 0.020 0.000 1.054 729 V CA 0.079 62.388 62.300 0.015 0.000 1.077 729 V CB 0.998 32.829 31.823 0.014 0.000 0.972 729 V HN 0.223 nan 8.190 nan 0.000 0.484 730 V N 3.907 123.838 119.914 0.029 0.000 2.443 730 V HA 0.358 4.479 4.120 0.003 0.000 0.293 730 V C 0.133 176.266 176.094 0.064 0.000 1.021 730 V CA -0.336 61.988 62.300 0.039 0.000 0.848 730 V CB 1.883 33.724 31.823 0.030 0.000 0.998 730 V HN 0.939 nan 8.190 nan 0.000 0.424 731 S N 2.938 118.681 115.700 0.072 0.000 2.645 731 S HA 0.485 4.956 4.470 0.003 0.000 0.266 731 S C -0.333 174.374 174.600 0.178 0.000 1.258 731 S CA -0.382 57.879 58.200 0.101 0.000 0.990 731 S CB 0.439 63.676 63.200 0.060 0.000 0.967 731 S HN 0.846 nan 8.310 nan 0.000 0.556 732 H N 1.454 120.563 119.070 0.065 0.000 3.287 732 H HA 0.169 4.727 4.556 0.002 0.000 0.329 732 H C -0.773 174.608 175.328 0.088 0.000 1.130 732 H CA -0.544 55.539 56.048 0.059 0.000 1.593 732 H CB 0.501 30.286 29.762 0.038 0.000 1.916 732 H HN 0.727 nan 8.280 nan 0.000 0.503 733 K N 2.731 122.997 120.400 -0.225 0.000 2.319 733 K HA 0.370 4.691 4.320 0.003 0.000 0.265 733 K C -0.975 175.453 176.600 -0.287 0.000 1.000 733 K CA -0.426 55.751 56.287 -0.183 0.000 0.943 733 K CB 1.285 33.700 32.500 -0.141 0.000 0.950 733 K HN 0.081 nan 8.250 nan 0.000 0.485 734 V N 2.005 121.848 119.914 -0.119 0.000 2.623 734 V HA 0.089 4.210 4.120 0.003 0.000 0.304 734 V C -1.401 174.641 176.094 -0.087 0.000 1.054 734 V CA -1.085 61.155 62.300 -0.100 0.000 0.882 734 V CB 1.767 33.593 31.823 0.004 0.000 1.002 734 V HN 0.817 nan 8.190 nan 0.000 0.424 735 D N 4.260 124.592 120.400 -0.113 0.000 2.343 735 D HA 0.413 5.055 4.640 0.003 0.000 0.255 735 D C -0.078 176.131 176.300 -0.151 0.000 1.187 735 D CA 0.003 53.932 54.000 -0.119 0.000 0.875 735 D CB 0.972 41.699 40.800 -0.122 0.000 1.136 735 D HN 0.365 nan 8.370 nan 0.000 0.469 736 L N 2.082 123.226 121.223 -0.132 0.000 2.367 736 L HA 0.457 4.799 4.340 0.003 0.000 0.275 736 L C 0.522 177.272 176.870 -0.200 0.000 1.129 736 L CA -0.292 54.450 54.840 -0.163 0.000 0.839 736 L CB 0.647 42.632 42.059 -0.123 0.000 1.133 736 L HN 0.450 nan 8.230 nan 0.000 0.453 737 A N 3.853 126.510 122.820 -0.271 0.000 2.350 737 A HA 0.808 5.130 4.320 0.003 0.000 0.318 737 A C -0.811 176.699 177.584 -0.123 0.000 1.132 737 A CA -0.546 51.354 52.037 -0.228 0.000 0.811 737 A CB 1.736 20.493 19.000 -0.405 0.000 1.313 737 A HN 0.371 nan 8.150 nan 0.000 0.454 738 V N 1.067 120.938 119.914 -0.071 0.000 2.435 738 V HA 0.601 4.722 4.120 0.003 0.000 0.290 738 V C -0.859 175.277 176.094 0.069 0.000 1.030 738 V CA -0.373 61.871 62.300 -0.093 0.000 0.881 738 V CB 1.031 32.709 31.823 -0.241 0.000 0.983 738 V HN 0.747 nan 8.190 nan 0.000 0.445 739 L N 4.704 125.982 121.223 0.093 0.000 2.516 739 L HA 0.851 5.193 4.340 0.003 0.000 0.267 739 L C -0.328 176.599 176.870 0.095 0.000 0.957 739 L CA -0.317 54.544 54.840 0.034 0.000 0.860 739 L CB 1.811 43.746 42.059 -0.205 0.000 1.265 739 L HN 0.724 nan 8.230 nan 0.000 0.403 740 A N 4.764 127.683 122.820 0.165 0.000 2.943 740 A HA 0.746 5.068 4.320 0.003 0.000 0.327 740 A C 0.233 177.934 177.584 0.195 0.000 1.141 740 A CA 0.001 52.182 52.037 0.240 0.000 0.773 740 A CB 0.531 19.800 19.000 0.448 0.000 1.143 740 A HN 1.170 nan 8.150 nan 0.000 0.463 741 A N 1.861 124.748 122.820 0.111 0.000 3.093 741 A HA 0.415 4.737 4.320 0.003 0.000 0.287 741 A C 0.335 177.990 177.584 0.117 0.000 1.952 741 A CA 0.373 52.467 52.037 0.095 0.000 1.421 741 A CB -0.988 18.038 19.000 0.044 0.000 0.943 741 A HN 0.878 nan 8.150 nan 0.000 0.599 742 V N 3.157 123.170 119.914 0.165 0.000 2.546 742 V HA 0.424 4.545 4.120 0.003 0.000 0.284 742 V C 0.302 176.443 176.094 0.079 0.000 1.050 742 V CA -0.217 62.144 62.300 0.103 0.000 0.981 742 V CB 1.131 33.009 31.823 0.092 0.000 0.990 742 V HN 0.971 nan 8.190 nan 0.000 0.474 743 E N 4.481 124.645 120.200 -0.060 0.000 2.317 743 E HA 0.738 5.090 4.350 0.003 0.000 0.270 743 E C -1.202 175.312 176.600 -0.142 0.000 0.885 743 E CA -0.865 55.531 56.400 -0.005 0.000 0.760 743 E CB 2.865 32.590 29.700 0.040 0.000 1.227 743 E HN 0.551 nan 8.360 nan 0.000 0.434 744 I N 2.030 122.608 120.570 0.013 0.000 2.530 744 I HA 0.528 4.700 4.170 0.003 0.000 0.297 744 I C -0.950 175.218 176.117 0.085 0.000 1.011 744 I CA -0.812 60.504 61.300 0.027 0.000 1.107 744 I CB 0.958 39.066 38.000 0.181 0.000 1.285 744 I HN 0.769 nan 8.210 nan 0.000 0.436 745 R N 5.100 125.638 120.500 0.063 0.000 2.680 745 R HA 0.818 5.160 4.340 0.003 0.000 0.269 745 R C -1.497 174.797 176.300 -0.011 0.000 1.026 745 R CA -0.907 55.215 56.100 0.036 0.000 0.889 745 R CB 1.747 32.048 30.300 0.003 0.000 1.241 745 R HN 0.686 nan 8.270 nan 0.000 0.463 746 G N 0.207 108.945 108.800 -0.103 0.000 2.708 746 G HA2 0.675 4.637 3.960 0.003 0.000 0.289 746 G HA3 0.675 4.637 3.960 0.003 0.000 0.289 746 G C -1.775 172.932 174.900 -0.321 0.000 1.416 746 G CA -0.601 44.291 45.100 -0.348 0.000 0.829 746 G HN 0.545 nan 8.290 nan 0.000 0.480 747 V N -1.004 118.652 119.914 -0.430 0.000 3.225 747 V HA 0.772 4.894 4.120 0.003 0.000 0.293 747 V C -1.213 174.650 176.094 -0.385 0.000 1.405 747 V CA -0.408 61.708 62.300 -0.308 0.000 1.038 747 V CB 2.283 34.004 31.823 -0.170 0.000 1.123 747 V HN 1.275 nan 8.190 nan 0.000 0.447 748 S N 2.695 118.211 115.700 -0.306 0.000 2.640 748 S HA 0.416 4.888 4.470 0.003 0.000 0.320 748 S C 0.929 175.482 174.600 -0.078 0.000 1.097 748 S CA 0.262 58.330 58.200 -0.220 0.000 1.092 748 S CB 1.538 64.587 63.200 -0.252 0.000 0.988 748 S HN 0.863 nan 8.310 nan 0.000 0.470 749 S N 4.309 120.003 115.700 -0.010 0.000 2.359 749 S HA 0.020 4.491 4.470 0.003 0.000 0.224 749 S C -1.789 172.772 174.600 -0.066 0.000 1.035 749 S CA 1.046 59.235 58.200 -0.018 0.000 1.018 749 S CB -0.671 62.543 63.200 0.023 0.000 0.876 749 S HN 0.746 nan 8.310 nan 0.000 0.448 750 P HA 0.269 nan 4.420 nan 0.000 0.273 750 P C -0.310 176.860 177.300 -0.215 0.000 1.531 750 P CA -0.287 62.689 63.100 -0.208 0.000 1.027 750 P CB 0.556 32.154 31.700 -0.170 0.000 1.387 751 D N 1.962 122.219 120.400 -0.237 0.000 2.310 751 D HA -0.123 4.519 4.640 0.003 0.000 0.212 751 D C 0.312 176.551 176.300 -0.102 0.000 0.965 751 D CA 1.017 54.945 54.000 -0.120 0.000 0.879 751 D CB -0.105 40.682 40.800 -0.021 0.000 0.921 751 D HN 0.533 nan 8.370 nan 0.000 0.510 752 H N -2.105 116.867 119.070 -0.164 0.000 2.946 752 H HA 0.639 5.196 4.556 0.002 0.000 0.365 752 H C -1.414 173.705 175.328 -0.348 0.000 1.197 752 H CA -1.141 54.718 56.048 -0.314 0.000 1.131 752 H CB 1.999 31.480 29.762 -0.469 0.000 1.849 752 H HN -0.193 nan 8.280 nan 0.000 0.555 753 V N 2.307 122.010 119.914 -0.351 0.000 2.532 753 V HA 0.182 4.304 4.120 0.003 0.000 0.294 753 V C -0.961 174.872 176.094 -0.434 0.000 1.036 753 V CA -0.582 61.518 62.300 -0.333 0.000 0.876 753 V CB 1.102 32.739 31.823 -0.309 0.000 1.012 753 V HN 0.583 nan 8.190 nan 0.000 0.432 754 F N 4.328 124.214 119.950 -0.107 0.000 2.438 754 F HA 0.349 4.877 4.527 0.002 0.000 0.356 754 F C 1.234 176.832 175.800 -0.336 0.000 1.099 754 F CA -0.151 57.742 58.000 -0.178 0.000 1.185 754 F CB 1.126 40.081 39.000 -0.075 0.000 1.115 754 F HN 0.367 nan 8.300 nan 0.000 0.526 755 L N 4.182 125.128 121.223 -0.461 0.000 2.492 755 L HA 0.083 4.425 4.340 0.003 0.000 0.223 755 L C -1.541 174.787 176.870 -0.903 0.000 1.132 755 L CA -0.361 53.895 54.840 -0.973 0.000 0.850 755 L CB -0.560 40.367 42.059 -1.886 0.000 0.966 755 L HN 0.359 nan 8.230 nan 0.000 0.454 756 P HA -0.047 nan 4.420 nan 0.000 0.254 756 P C -0.285 176.993 177.300 -0.037 0.000 1.467 756 P CA 0.486 63.592 63.100 0.010 0.000 1.281 756 P CB -0.332 31.473 31.700 0.176 0.000 1.754 757 I N 5.596 126.108 120.570 -0.098 0.000 2.347 757 I HA 0.233 4.404 4.170 0.003 0.000 0.294 757 I C -2.050 174.109 176.117 0.069 0.000 1.090 757 I CA -2.825 58.426 61.300 -0.081 0.000 1.314 757 I CB 0.312 38.159 38.000 -0.255 0.000 1.423 757 I HN 0.128 nan 8.210 nan 0.000 0.503 758 P HA 0.179 nan 4.420 nan 0.000 0.271 758 P C -0.601 176.783 177.300 0.140 0.000 1.216 758 P CA 0.013 63.174 63.100 0.102 0.000 0.776 758 P CB 0.316 32.057 31.700 0.068 0.000 0.881 759 N N -0.662 118.120 118.700 0.138 0.000 2.725 759 N HA -0.214 4.528 4.740 0.003 0.000 0.251 759 N C -1.062 174.552 175.510 0.174 0.000 1.031 759 N CA 0.801 53.923 53.050 0.120 0.000 0.720 759 N CB -1.472 37.062 38.487 0.077 0.000 0.930 759 N HN 0.563 nan 8.380 nan 0.000 0.543 760 W N 1.414 122.726 121.300 0.019 0.000 2.666 760 W HA 0.501 5.163 4.660 0.002 0.000 0.334 760 W C -0.402 176.135 176.519 0.030 0.000 1.051 760 W CA -0.420 56.931 57.345 0.010 0.000 1.224 760 W CB 0.987 30.453 29.460 0.009 0.000 1.405 760 W HN 0.204 nan 8.180 nan 0.000 0.513 761 E N 2.991 122.615 120.200 -0.960 0.000 2.412 761 E HA 0.177 4.529 4.350 0.003 0.000 0.279 761 E C -1.385 174.448 176.600 -1.277 0.000 0.984 761 E CA -1.062 54.764 56.400 -0.956 0.000 0.788 761 E CB 1.565 31.040 29.700 -0.375 0.000 1.277 761 E HN 0.501 nan 8.360 nan 0.000 0.455 762 H N 1.621 120.118 119.070 -0.954 0.000 2.848 762 H HA 0.132 4.689 4.556 0.002 0.000 0.341 762 H C -0.967 174.146 175.328 -0.359 0.000 1.060 762 H CA 0.100 55.786 56.048 -0.603 0.000 1.444 762 H CB 0.709 30.316 29.762 -0.259 0.000 1.446 762 H HN 0.271 nan 8.280 nan 0.000 0.583 763 K N 5.032 124.959 120.400 -0.788 0.000 2.376 763 K HA 0.074 4.395 4.320 0.003 0.000 0.257 763 K C 0.861 177.131 176.600 -0.550 0.000 0.939 763 K CA -0.792 55.193 56.287 -0.504 0.000 0.809 763 K CB 2.208 34.499 32.500 -0.348 0.000 1.121 763 K HN 0.718 nan 8.250 nan 0.000 0.425 764 E N 2.183 122.219 120.200 -0.272 0.000 2.012 764 E HA -0.164 4.188 4.350 0.003 0.000 0.197 764 E C -0.449 176.109 176.600 -0.070 0.000 1.007 764 E CA 1.498 57.836 56.400 -0.104 0.000 0.816 764 E CB 0.234 29.930 29.700 -0.006 0.000 0.762 764 E HN 0.549 nan 8.360 nan 0.000 0.451 765 N N 1.459 120.123 118.700 -0.060 0.000 2.626 765 N HA 0.225 4.967 4.740 0.003 0.000 0.249 765 N C -2.522 172.959 175.510 -0.049 0.000 1.021 765 N CA -0.979 52.059 53.050 -0.020 0.000 0.886 765 N CB 1.789 40.279 38.487 0.005 0.000 1.149 765 N HN 0.078 nan 8.380 nan 0.000 0.517 766 P HA 0.277 nan 4.420 nan 0.000 0.281 766 P C -0.755 176.516 177.300 -0.049 0.000 1.249 766 P CA -0.218 62.822 63.100 -0.100 0.000 0.810 766 P CB 1.650 33.244 31.700 -0.177 0.000 1.008 767 E N -0.343 119.827 120.200 -0.050 0.000 2.355 767 E HA 0.556 4.908 4.350 0.003 0.000 0.261 767 E C -0.692 175.893 176.600 -0.026 0.000 0.943 767 E CA -0.788 55.600 56.400 -0.020 0.000 0.806 767 E CB 1.285 30.978 29.700 -0.012 0.000 1.286 767 E HN 0.760 nan 8.360 nan 0.000 0.424 768 T N -2.136 112.418 114.554 -0.000 0.000 0.541 768 T HA -0.215 4.137 4.350 0.003 0.000 0.774 768 T C 0.453 175.159 174.700 0.010 0.000 0.992 768 T CA 0.950 63.053 62.100 0.006 0.000 4.077 768 T CB -0.574 68.291 68.868 -0.006 0.000 2.303 768 T HN 0.739 nan 8.240 nan 0.000 0.398 769 E N 0.877 121.095 120.200 0.031 0.000 2.112 769 E HA -0.048 4.304 4.350 0.003 0.000 0.190 769 E C 2.018 178.640 176.600 0.035 0.000 0.979 769 E CA 1.079 57.507 56.400 0.047 0.000 0.814 769 E CB -0.167 29.571 29.700 0.063 0.000 0.762 769 E HN 0.796 nan 8.360 nan 0.000 0.460 770 E N 1.386 121.603 120.200 0.029 0.000 2.097 770 E HA -0.218 4.134 4.350 0.003 0.000 0.196 770 E C 1.207 177.838 176.600 0.051 0.000 1.000 770 E CA 1.594 58.018 56.400 0.039 0.000 0.804 770 E CB -0.009 29.703 29.700 0.021 0.000 0.740 770 E HN 0.138 nan 8.360 nan 0.000 0.454 771 D N -1.176 119.220 120.400 -0.006 0.000 2.312 771 D HA -0.053 4.589 4.640 0.003 0.000 0.211 771 D C 1.608 177.887 176.300 -0.035 0.000 0.964 771 D CA 0.538 54.503 54.000 -0.059 0.000 0.877 771 D CB 0.286 41.013 40.800 -0.123 0.000 0.924 771 D HN 0.143 nan 8.370 nan 0.000 0.515 772 V N -0.783 119.099 119.914 -0.052 0.000 2.581 772 V HA 0.441 4.563 4.120 0.003 0.000 0.240 772 V C 1.249 177.307 176.094 -0.059 0.000 1.054 772 V CA 1.070 63.252 62.300 -0.197 0.000 1.076 772 V CB 0.260 31.933 31.823 -0.249 0.000 0.748 772 V HN 0.314 nan 8.190 nan 0.000 0.474 773 G N 0.026 108.836 108.800 0.015 0.000 2.341 773 G HA2 0.251 4.212 3.960 0.003 0.000 0.293 773 G HA3 0.251 4.212 3.960 0.003 0.000 0.293 773 G C -3.334 171.576 174.900 0.016 0.000 1.298 773 G CA -0.510 44.577 45.100 -0.022 0.000 0.868 773 G HN 0.019 nan 8.290 nan 0.000 0.540 774 P HA 0.431 nan 4.420 nan 0.000 0.274 774 P C 0.161 177.486 177.300 0.042 0.000 1.231 774 P CA -0.188 62.916 63.100 0.006 0.000 0.790 774 P CB 1.228 32.909 31.700 -0.033 0.000 0.951 775 V N 2.529 122.475 119.914 0.054 0.000 2.614 775 V HA 0.094 4.216 4.120 0.003 0.000 0.291 775 V C 0.593 176.736 176.094 0.081 0.000 1.049 775 V CA -0.024 62.327 62.300 0.085 0.000 1.038 775 V CB 1.091 32.961 31.823 0.079 0.000 0.980 775 V HN 0.251 nan 8.190 nan 0.000 0.481 776 V N 4.653 124.642 119.914 0.124 0.000 2.376 776 V HA 0.334 4.455 4.120 0.003 0.000 0.287 776 V C -0.173 176.053 176.094 0.220 0.000 1.015 776 V CA -0.622 61.766 62.300 0.147 0.000 0.834 776 V CB 1.511 33.417 31.823 0.139 0.000 1.001 776 V HN 0.924 nan 8.190 nan 0.000 0.428 777 Q N 3.233 123.163 119.800 0.216 0.000 2.267 777 Q HA 0.345 4.686 4.340 0.003 0.000 0.255 777 Q C -0.552 175.673 176.000 0.375 0.000 0.923 777 Q CA 0.202 56.155 55.803 0.250 0.000 0.925 777 Q CB 0.614 29.456 28.738 0.174 0.000 1.195 777 Q HN 0.755 nan 8.270 nan 0.000 0.417 778 H N 4.595 123.781 119.070 0.193 0.000 2.786 778 H HA 0.309 4.866 4.556 0.003 0.000 0.284 778 H C -0.790 174.558 175.328 0.035 0.000 1.104 778 H CA -0.790 55.339 56.048 0.135 0.000 1.339 778 H CB 0.620 30.640 29.762 0.429 0.000 1.427 778 H HN 0.500 nan 8.280 nan 0.000 0.497 779 I N 3.598 124.143 120.570 -0.041 0.000 2.371 779 I HA 0.070 4.242 4.170 0.003 0.000 0.290 779 I C -0.416 175.509 176.117 -0.320 0.000 1.028 779 I CA 0.036 61.253 61.300 -0.137 0.000 1.345 779 I CB 0.192 38.124 38.000 -0.114 0.000 1.407 779 I HN 0.405 nan 8.210 nan 0.000 0.501 780 Y N 4.420 124.642 120.300 -0.130 0.000 2.393 780 Y HA 0.517 5.069 4.550 0.003 0.000 0.341 780 Y C 0.104 175.911 175.900 -0.156 0.000 0.988 780 Y CA -0.612 57.430 58.100 -0.096 0.000 1.078 780 Y CB 1.718 40.155 38.460 -0.038 0.000 1.203 780 Y HN 0.480 nan 8.280 nan 0.000 0.453 781 E N 3.839 124.059 120.200 0.034 0.000 2.241 781 E HA 0.331 4.683 4.350 0.003 0.000 0.263 781 E C -2.023 174.555 176.600 -0.036 0.000 0.882 781 E CA -0.954 55.422 56.400 -0.039 0.000 0.769 781 E CB 1.633 31.294 29.700 -0.064 0.000 1.185 781 E HN 0.579 nan 8.360 nan 0.000 0.415 782 L N 4.893 126.072 121.223 -0.073 0.000 2.272 782 L HA 0.503 4.844 4.340 0.003 0.000 0.289 782 L C -0.856 175.948 176.870 -0.110 0.000 1.032 782 L CA -0.184 54.560 54.840 -0.161 0.000 0.810 782 L CB 1.069 43.008 42.059 -0.200 0.000 1.205 782 L HN 0.508 nan 8.230 nan 0.000 0.422 783 R N 3.909 124.339 120.500 -0.116 0.000 2.575 783 R HA 0.357 4.698 4.340 0.003 0.000 0.293 783 R C -0.935 175.355 176.300 -0.016 0.000 0.983 783 R CA -0.460 55.610 56.100 -0.050 0.000 0.887 783 R CB 1.145 31.424 30.300 -0.035 0.000 1.184 783 R HN 0.816 nan 8.270 nan 0.000 0.445 784 N N 3.817 122.533 118.700 0.028 0.000 2.469 784 N HA 0.058 4.800 4.740 0.003 0.000 0.239 784 N C -0.313 175.223 175.510 0.043 0.000 1.053 784 N CA -0.439 52.660 53.050 0.082 0.000 0.937 784 N CB 0.705 39.240 38.487 0.080 0.000 1.163 784 N HN 0.595 nan 8.380 nan 0.000 0.509 785 N N 2.698 121.428 118.700 0.049 0.000 2.251 785 N HA -0.034 4.708 4.740 0.003 0.000 0.181 785 N C 1.092 176.629 175.510 0.045 0.000 1.019 785 N CA 0.241 53.312 53.050 0.035 0.000 0.862 785 N CB -0.306 38.197 38.487 0.027 0.000 0.992 785 N HN 0.496 nan 8.380 nan 0.000 0.429 786 G N 2.496 111.337 108.800 0.068 0.000 2.562 786 G HA2 0.052 4.014 3.960 0.003 0.000 0.233 786 G HA3 0.052 4.014 3.960 0.003 0.000 0.233 786 G C -1.247 173.698 174.900 0.075 0.000 1.266 786 G CA -0.690 44.447 45.100 0.063 0.000 0.852 786 G HN 0.087 nan 8.290 nan 0.000 0.581 787 P HA -0.071 nan 4.420 nan 0.000 0.215 787 P C 0.819 178.189 177.300 0.116 0.000 1.157 787 P CA 0.764 63.906 63.100 0.071 0.000 0.868 787 P CB 0.069 31.804 31.700 0.059 0.000 0.788 788 S N 0.420 116.207 115.700 0.144 0.000 2.580 788 S HA 0.303 4.775 4.470 0.003 0.000 0.274 788 S C 0.763 175.569 174.600 0.343 0.000 1.329 788 S CA -0.526 57.822 58.200 0.246 0.000 1.036 788 S CB 0.427 63.727 63.200 0.168 0.000 0.919 788 S HN 0.271 nan 8.310 nan 0.000 0.515 789 S N 1.411 117.367 115.700 0.426 0.000 2.693 789 S HA 0.788 5.260 4.470 0.003 0.000 0.276 789 S C -0.463 174.340 174.600 0.338 0.000 1.192 789 S CA -0.882 57.447 58.200 0.214 0.000 0.994 789 S CB 0.339 63.562 63.200 0.038 0.000 1.012 789 S HN 0.655 nan 8.310 nan 0.000 0.550 790 F N -0.976 119.030 119.950 0.093 0.000 2.561 790 F HA 0.774 5.303 4.527 0.003 0.000 0.321 790 F C 0.749 176.459 175.800 -0.150 0.000 1.065 790 F CA -0.743 57.195 58.000 -0.104 0.000 0.934 790 F CB 1.357 40.153 39.000 -0.339 0.000 1.215 790 F HN 0.611 nan 8.300 nan 0.000 0.471 791 S N -0.219 115.518 115.700 0.060 0.000 2.497 791 S HA 0.399 4.871 4.470 0.003 0.000 0.221 791 S C 0.013 174.664 174.600 0.085 0.000 1.037 791 S CA -0.004 58.193 58.200 -0.007 0.000 0.920 791 S CB -0.114 63.063 63.200 -0.038 0.000 0.800 791 S HN 0.659 nan 8.310 nan 0.000 0.505 792 K N 0.053 120.558 120.400 0.175 0.000 2.527 792 K HA 0.786 5.108 4.320 0.003 0.000 0.260 792 K C -1.578 175.025 176.600 0.005 0.000 0.937 792 K CA -0.193 56.163 56.287 0.115 0.000 0.826 792 K CB 2.431 34.939 32.500 0.012 0.000 1.359 792 K HN 0.282 nan 8.250 nan 0.000 0.434 793 A N 2.126 124.945 122.820 -0.001 0.000 2.609 793 A HA 0.801 5.123 4.320 0.003 0.000 0.291 793 A C -1.776 175.780 177.584 -0.047 0.000 1.096 793 A CA -0.767 51.180 52.037 -0.149 0.000 0.684 793 A CB 1.578 20.349 19.000 -0.381 0.000 1.282 793 A HN 0.452 nan 8.150 nan 0.000 0.412 794 M N 1.062 120.645 119.600 -0.030 0.000 2.321 794 M HA 0.530 5.012 4.480 0.003 0.000 0.315 794 M C -1.486 174.815 176.300 0.000 0.000 1.052 794 M CA -0.446 54.835 55.300 -0.032 0.000 0.936 794 M CB 1.086 33.700 32.600 0.023 0.000 1.639 794 M HN 0.661 nan 8.290 nan 0.000 0.433 795 L N 3.339 124.488 121.223 -0.123 0.000 2.341 795 L HA 0.506 4.848 4.340 0.003 0.000 0.278 795 L C -1.354 175.345 176.870 -0.285 0.000 1.005 795 L CA -0.130 54.659 54.840 -0.086 0.000 0.818 795 L CB 1.312 43.321 42.059 -0.084 0.000 1.259 795 L HN 0.653 nan 8.230 nan 0.000 0.418 796 H N 4.460 123.491 119.070 -0.065 0.000 2.800 796 H HA 0.527 5.085 4.556 0.002 0.000 0.322 796 H C -1.167 174.084 175.328 -0.129 0.000 0.979 796 H CA -0.433 55.561 56.048 -0.090 0.000 1.277 796 H CB 1.766 31.488 29.762 -0.066 0.000 1.484 796 H HN 0.450 nan 8.280 nan 0.000 0.512 797 L N 3.081 124.253 121.223 -0.084 0.000 2.295 797 L HA 0.364 4.706 4.340 0.003 0.000 0.285 797 L C -0.690 176.178 176.870 -0.004 0.000 1.035 797 L CA -0.215 54.545 54.840 -0.132 0.000 0.806 797 L CB 1.210 43.129 42.059 -0.233 0.000 1.214 797 L HN 0.615 nan 8.230 nan 0.000 0.426 798 Q N 5.709 125.535 119.800 0.043 0.000 2.333 798 Q HA 0.244 4.586 4.340 0.003 0.000 0.265 798 Q C -1.481 174.635 176.000 0.195 0.000 0.989 798 Q CA -0.290 55.572 55.803 0.099 0.000 0.842 798 Q CB 2.125 30.898 28.738 0.059 0.000 1.262 798 Q HN 0.673 nan 8.270 nan 0.000 0.451 799 W N 6.066 127.368 121.300 0.003 0.000 2.532 799 W HA 0.333 4.994 4.660 0.002 0.000 0.321 799 W C -2.730 173.835 176.519 0.077 0.000 1.037 799 W CA -2.378 54.989 57.345 0.036 0.000 1.220 799 W CB 1.886 31.344 29.460 -0.003 0.000 1.361 799 W HN 0.384 nan 8.180 nan 0.000 0.468 800 P HA -0.055 nan 4.420 nan 0.000 0.271 800 P C -0.131 177.185 177.300 0.028 0.000 1.380 800 P CA 0.346 63.376 63.100 -0.117 0.000 0.992 800 P CB 0.174 31.747 31.700 -0.211 0.000 1.230 801 Y N 5.519 125.871 120.300 0.087 0.000 2.201 801 Y HA 0.122 4.673 4.550 0.002 0.000 0.292 801 Y C 0.410 176.354 175.900 0.073 0.000 1.119 801 Y CA 1.135 59.335 58.100 0.167 0.000 1.127 801 Y CB 0.522 39.076 38.460 0.158 0.000 1.019 801 Y HN 0.128 nan 8.280 nan 0.000 0.514 802 K N -0.657 119.682 120.400 -0.102 0.000 2.502 802 K HA 0.233 4.554 4.320 0.003 0.000 0.257 802 K C -2.108 174.477 176.600 -0.024 0.000 0.938 802 K CA -0.881 55.273 56.287 -0.221 0.000 0.819 802 K CB 2.543 34.833 32.500 -0.351 0.000 1.333 802 K HN 0.069 nan 8.250 nan 0.000 0.434 803 Y N 3.031 123.208 120.300 -0.205 0.000 2.352 803 Y HA 0.132 4.684 4.550 0.003 0.000 0.339 803 Y C 0.507 176.313 175.900 -0.156 0.000 0.992 803 Y CA -0.084 57.919 58.100 -0.163 0.000 1.100 803 Y CB 0.812 39.151 38.460 -0.203 0.000 1.192 803 Y HN 0.798 nan 8.280 nan 0.000 0.458 804 N N 2.319 120.677 118.700 -0.569 0.000 1.758 804 N HA -0.380 4.362 4.740 0.003 0.000 0.152 804 N C -0.571 174.797 175.510 -0.237 0.000 0.558 804 N CA 1.968 54.760 53.050 -0.429 0.000 1.229 804 N CB -0.924 37.257 38.487 -0.510 0.000 1.337 804 N HN 0.800 nan 8.380 nan 0.000 0.432 805 N N 1.931 120.499 118.700 -0.220 0.000 2.433 805 N HA 0.181 4.923 4.740 0.003 0.000 0.270 805 N C -1.190 174.189 175.510 -0.219 0.000 1.354 805 N CA -0.136 52.805 53.050 -0.182 0.000 0.889 805 N CB 0.037 38.446 38.487 -0.129 0.000 1.285 805 N HN 0.373 nan 8.380 nan 0.000 0.503 806 N N -0.060 118.488 118.700 -0.252 0.000 2.321 806 N HA 0.236 4.978 4.740 0.003 0.000 0.299 806 N C 0.456 175.742 175.510 -0.373 0.000 1.048 806 N CA -0.250 52.632 53.050 -0.280 0.000 0.836 806 N CB 1.565 39.918 38.487 -0.225 0.000 1.269 806 N HN -0.155 nan 8.380 nan 0.000 0.486 807 T N 1.483 115.714 114.554 -0.537 0.000 3.272 807 T HA 0.159 4.510 4.350 0.003 0.000 0.250 807 T C 1.617 176.173 174.700 -0.240 0.000 1.082 807 T CA -0.250 61.465 62.100 -0.641 0.000 0.968 807 T CB -0.425 67.761 68.868 -1.137 0.000 1.015 807 T HN 0.409 nan 8.240 nan 0.000 0.563 808 L N -0.535 120.612 121.223 -0.128 0.000 4.126 808 L HA -0.293 4.049 4.340 0.003 0.000 0.053 808 L C 0.634 177.719 176.870 0.358 0.000 3.562 808 L CA 1.429 56.330 54.840 0.101 0.000 1.410 808 L CB -1.031 41.052 42.059 0.041 0.000 3.052 808 L HN 0.300 nan 8.230 nan 0.000 0.756 809 L N -0.508 120.906 121.223 0.318 0.000 2.265 809 L HA 0.338 4.679 4.340 0.003 0.000 0.289 809 L C -0.658 176.596 176.870 0.641 0.000 1.033 809 L CA -0.369 54.737 54.840 0.443 0.000 0.814 809 L CB 1.179 43.425 42.059 0.311 0.000 1.203 809 L HN 0.189 nan 8.230 nan 0.000 0.423 810 Y N 5.000 125.579 120.300 0.465 0.000 2.353 810 Y HA 0.444 4.996 4.550 0.002 0.000 0.340 810 Y C 0.027 176.114 175.900 0.312 0.000 0.972 810 Y CA -0.535 57.826 58.100 0.435 0.000 1.157 810 Y CB 0.804 39.551 38.460 0.478 0.000 1.157 810 Y HN 0.391 nan 8.280 nan 0.000 0.495 811 I N 8.349 128.843 120.570 -0.128 0.000 2.379 811 I HA -0.010 4.162 4.170 0.003 0.000 0.290 811 I C 0.747 176.728 176.117 -0.228 0.000 1.063 811 I CA 0.273 61.445 61.300 -0.213 0.000 1.351 811 I CB 0.939 38.685 38.000 -0.423 0.000 1.410 811 I HN 0.806 nan 8.210 nan 0.000 0.505 812 L N 5.914 127.151 121.223 0.022 0.000 2.034 812 L HA 0.060 4.401 4.340 0.003 0.000 0.203 812 L C 0.918 177.844 176.870 0.094 0.000 1.074 812 L CA 0.978 55.885 54.840 0.112 0.000 0.748 812 L CB -0.099 42.074 42.059 0.189 0.000 0.905 812 L HN 0.624 nan 8.230 nan 0.000 0.439 813 H N -1.777 117.268 119.070 -0.041 0.000 3.085 813 H HA 0.256 4.813 4.556 0.002 0.000 0.356 813 H C -1.747 173.563 175.328 -0.031 0.000 1.178 813 H CA -0.706 55.287 56.048 -0.091 0.000 1.214 813 H CB 2.079 31.792 29.762 -0.081 0.000 1.881 813 H HN 0.014 nan 8.280 nan 0.000 0.538 814 Y N 1.857 121.834 120.300 -0.539 0.000 2.468 814 Y HA 0.613 5.164 4.550 0.002 0.000 0.342 814 Y C -1.047 174.655 175.900 -0.330 0.000 1.021 814 Y CA -0.872 57.038 58.100 -0.316 0.000 1.079 814 Y CB 1.561 39.862 38.460 -0.265 0.000 1.226 814 Y HN 0.325 nan 8.280 nan 0.000 0.460 815 D N 2.651 123.148 120.400 0.162 0.000 2.423 815 D HA 0.603 5.244 4.640 0.003 0.000 0.235 815 D C -0.957 175.528 176.300 0.309 0.000 1.011 815 D CA -0.363 53.751 54.000 0.190 0.000 0.963 815 D CB 2.908 43.834 40.800 0.209 0.000 1.349 815 D HN 0.678 nan 8.370 nan 0.000 0.508 816 I N 0.675 121.389 120.570 0.239 0.000 2.647 816 I HA 0.259 4.430 4.170 0.003 0.000 0.295 816 I C -0.881 175.353 176.117 0.195 0.000 1.078 816 I CA -0.680 60.739 61.300 0.199 0.000 1.048 816 I CB 2.455 40.532 38.000 0.129 0.000 1.239 816 I HN 0.004 nan 8.210 nan 0.000 0.421 817 D N 3.537 124.042 120.400 0.175 0.000 2.696 817 D HA 0.638 5.280 4.640 0.003 0.000 0.251 817 D C -0.052 176.291 176.300 0.072 0.000 1.188 817 D CA 0.510 54.602 54.000 0.153 0.000 0.876 817 D CB 2.220 43.178 40.800 0.263 0.000 1.334 817 D HN 0.871 nan 8.370 nan 0.000 0.540 818 G N 3.469 112.297 108.800 0.046 0.000 2.610 818 G HA2 -0.110 3.851 3.960 0.003 0.000 0.304 818 G HA3 -0.110 3.851 3.960 0.003 0.000 0.304 818 G C -2.587 172.317 174.900 0.007 0.000 1.309 818 G CA -0.990 44.119 45.100 0.015 0.000 0.906 818 G HN 0.415 nan 8.290 nan 0.000 0.521 819 P HA 0.443 nan 4.420 nan 0.000 0.268 819 P C -0.386 176.913 177.300 -0.001 0.000 1.541 819 P CA 0.410 63.502 63.100 -0.012 0.000 1.093 819 P CB 0.230 31.909 31.700 -0.036 0.000 1.551 820 M N 3.177 122.780 119.600 0.006 0.000 2.346 820 M HA 0.270 4.752 4.480 0.003 0.000 0.287 820 M C -2.073 174.233 176.300 0.010 0.000 1.100 820 M CA -0.416 54.887 55.300 0.005 0.000 0.950 820 M CB 1.828 34.429 32.600 0.003 0.000 1.815 820 M HN -0.068 nan 8.290 nan 0.000 0.497 821 N N 2.290 120.990 118.700 -0.000 0.000 2.430 821 N HA 0.808 5.549 4.740 0.003 0.000 0.298 821 N C -1.576 173.927 175.510 -0.011 0.000 1.130 821 N CA -0.333 52.722 53.050 0.008 0.000 0.894 821 N CB 1.962 40.449 38.487 0.000 0.000 1.209 821 N HN 0.684 nan 8.380 nan 0.000 0.503 822 c N -0.443 118.170 118.600 0.021 0.000 2.898 822 c HA 0.766 5.337 4.570 0.003 0.000 0.304 822 c C -0.379 173.717 174.090 0.010 0.000 1.237 822 c CA -0.573 55.731 56.329 -0.042 0.000 1.529 822 c CB 1.941 44.361 42.510 -0.149 0.000 2.021 822 c HN 0.622 nan 8.230 nan 0.000 0.474 823 T N 1.084 115.595 114.554 -0.073 0.000 2.921 823 T HA 0.466 4.818 4.350 0.003 0.000 0.297 823 T C -0.678 173.961 174.700 -0.102 0.000 1.013 823 T CA -0.200 61.880 62.100 -0.032 0.000 0.990 823 T CB 1.700 70.546 68.868 -0.036 0.000 1.023 823 T HN 0.712 nan 8.240 nan 0.000 0.447 824 S N 1.475 117.141 115.700 -0.057 0.000 2.508 824 S HA 0.242 4.713 4.470 0.003 0.000 0.284 824 S C 1.084 175.636 174.600 -0.081 0.000 1.192 824 S CA -0.776 57.359 58.200 -0.108 0.000 1.070 824 S CB 0.571 63.724 63.200 -0.078 0.000 1.004 824 S HN 0.776 nan 8.310 nan 0.000 0.493 825 D N 4.082 124.429 120.400 -0.088 0.000 2.371 825 D HA -0.015 4.626 4.640 0.003 0.000 0.221 825 D C 0.263 176.519 176.300 -0.072 0.000 0.986 825 D CA 0.784 54.746 54.000 -0.063 0.000 0.899 825 D CB -0.063 40.711 40.800 -0.044 0.000 0.902 825 D HN 0.472 nan 8.370 nan 0.000 0.530 826 M N 0.311 119.844 119.600 -0.112 0.000 2.395 826 M HA 0.220 4.702 4.480 0.003 0.000 0.307 826 M C -0.617 175.602 176.300 -0.135 0.000 1.091 826 M CA -1.080 54.140 55.300 -0.133 0.000 0.919 826 M CB 2.833 35.298 32.600 -0.224 0.000 1.662 826 M HN -0.293 nan 8.290 nan 0.000 0.440 827 E N 3.545 123.687 120.200 -0.096 0.000 2.729 827 E HA 0.018 4.369 4.350 0.003 0.000 0.246 827 E C -0.843 175.680 176.600 -0.129 0.000 0.984 827 E CA 0.163 56.516 56.400 -0.079 0.000 0.951 827 E CB 0.065 29.741 29.700 -0.040 0.000 0.914 827 E HN 0.501 nan 8.360 nan 0.000 0.509 828 I N 1.753 122.249 120.570 -0.124 0.000 2.581 828 I HA 0.302 4.473 4.170 0.003 0.000 0.288 828 I C 0.192 176.232 176.117 -0.128 0.000 1.047 828 I CA -0.810 60.384 61.300 -0.178 0.000 1.374 828 I CB 0.943 38.858 38.000 -0.141 0.000 1.423 828 I HN 0.576 nan 8.210 nan 0.000 0.549 829 N N 3.857 122.433 118.700 -0.208 0.000 2.708 829 N HA -0.110 4.631 4.740 0.003 0.000 0.255 829 N C -1.850 173.738 175.510 0.130 0.000 1.046 829 N CA 0.559 53.604 53.050 -0.009 0.000 0.715 829 N CB -0.812 37.720 38.487 0.074 0.000 0.895 829 N HN 0.597 nan 8.380 nan 0.000 0.545 830 P HA -0.093 nan 4.420 nan 0.000 0.216 830 P C 1.554 178.970 177.300 0.194 0.000 1.150 830 P CA 0.966 64.154 63.100 0.148 0.000 0.837 830 P CB 0.128 31.921 31.700 0.154 0.000 0.786 831 L N -2.326 119.085 121.223 0.313 0.000 2.610 831 L HA 0.117 4.459 4.340 0.003 0.000 0.232 831 L C 0.471 177.448 176.870 0.178 0.000 1.149 831 L CA 0.054 55.029 54.840 0.225 0.000 0.872 831 L CB -0.676 41.508 42.059 0.209 0.000 0.992 831 L HN -0.113 nan 8.230 nan 0.000 0.447 832 R N 0.256 120.872 120.500 0.193 0.000 3.423 832 R HA -0.146 4.195 4.340 0.003 0.000 0.271 832 R C -0.366 176.011 176.300 0.129 0.000 1.093 832 R CA 0.414 56.594 56.100 0.134 0.000 0.730 832 R CB -2.308 28.043 30.300 0.085 0.000 1.190 832 R HN 0.273 nan 8.270 nan 0.000 0.437 833 I N 1.439 122.121 120.570 0.187 0.000 2.421 833 I HA 0.034 4.205 4.170 0.003 0.000 0.291 833 I C 0.490 176.686 176.117 0.132 0.000 1.089 833 I CA 0.370 61.758 61.300 0.145 0.000 1.354 833 I CB 0.375 38.472 38.000 0.163 0.000 1.413 833 I HN -0.052 nan 8.210 nan 0.000 0.513 834 K N 7.579 128.025 120.400 0.076 0.000 2.378 834 K HA 0.613 4.935 4.320 0.003 0.000 0.252 834 K C 0.115 176.734 176.600 0.031 0.000 0.931 834 K CA -0.539 55.777 56.287 0.050 0.000 0.794 834 K CB 3.076 35.593 32.500 0.028 0.000 1.181 834 K HN 0.557 nan 8.250 nan 0.000 0.425 835 I N -0.335 120.248 120.570 0.021 0.000 4.779 835 I HA -0.219 3.952 4.170 0.003 0.000 0.302 835 I C 1.145 177.260 176.117 -0.003 0.000 1.110 835 I CA 0.582 61.888 61.300 0.009 0.000 1.434 835 I CB 0.111 38.121 38.000 0.017 0.000 1.881 835 I HN 0.770 nan 8.210 nan 0.000 0.516 836 S N 0.973 116.674 115.700 0.002 0.000 4.158 836 S HA -0.429 4.043 4.470 0.003 0.000 0.538 836 S C 0.837 175.431 174.600 -0.010 0.000 1.845 836 S CA 2.454 60.647 58.200 -0.012 0.000 4.227 836 S CB -1.381 61.787 63.200 -0.052 0.000 0.452 836 S HN 0.927 nan 8.310 nan 0.000 0.455 837 S N -0.086 115.601 115.700 -0.022 0.000 3.587 837 S HA -0.183 4.288 4.470 0.003 0.000 0.337 837 S C -0.351 174.238 174.600 -0.018 0.000 1.119 837 S CA 1.010 59.199 58.200 -0.019 0.000 0.976 837 S CB -1.753 61.441 63.200 -0.010 0.000 0.922 837 S HN 1.243 nan 8.310 nan 0.000 0.503 869 I N 0.290 120.880 120.570 0.035 0.000 2.202 869 I HA -0.183 3.988 4.170 0.003 0.000 0.242 869 I C 2.008 178.164 176.117 0.065 0.000 1.091 869 I CA 1.794 63.103 61.300 0.015 0.000 1.368 869 I CB 0.069 37.962 38.000 -0.177 0.000 1.058 869 I HN 0.326 nan 8.210 nan 0.000 0.410 870 H N -0.096 118.993 119.070 0.031 0.000 2.260 870 H HA 0.077 4.634 4.556 0.002 0.000 0.304 870 H C 0.289 175.658 175.328 0.068 0.000 1.059 870 H CA 1.480 57.559 56.048 0.053 0.000 1.305 870 H CB -0.301 29.486 29.762 0.042 0.000 1.388 870 H HN 0.181 nan 8.280 nan 0.000 0.496 871 T N 2.931 117.615 114.554 0.216 0.000 2.761 871 T HA 0.321 4.672 4.350 0.003 0.000 0.296 871 T C 0.219 174.939 174.700 0.034 0.000 0.934 871 T CA -0.297 61.877 62.100 0.124 0.000 1.091 871 T CB 0.697 69.611 68.868 0.077 0.000 0.896 871 T HN 0.153 nan 8.240 nan 0.000 0.515 872 L N 3.910 125.135 121.223 0.004 0.000 2.335 872 L HA 0.536 4.877 4.340 0.003 0.000 0.268 872 L C 0.901 177.734 176.870 -0.061 0.000 1.037 872 L CA -0.549 54.235 54.840 -0.093 0.000 0.895 872 L CB 0.629 42.587 42.059 -0.167 0.000 1.266 872 L HN 0.775 nan 8.230 nan 0.000 0.439 873 G N 0.037 108.814 108.800 -0.040 0.000 2.820 873 G HA2 0.253 4.214 3.960 0.003 0.000 0.291 873 G HA3 0.253 4.214 3.960 0.003 0.000 0.291 873 G C 0.606 175.504 174.900 -0.004 0.000 1.323 873 G CA -0.365 44.721 45.100 -0.023 0.000 1.055 873 G HN 0.519 nan 8.290 nan 0.000 0.520 874 c N -0.186 118.420 118.600 0.010 0.000 2.437 874 c HA 0.067 4.639 4.570 0.003 0.000 0.283 874 c C 2.867 176.977 174.090 0.034 0.000 1.424 874 c CA 0.921 57.269 56.329 0.032 0.000 1.782 874 c CB -1.231 41.303 42.510 0.040 0.000 1.833 874 c HN 0.869 nan 8.230 nan 0.000 0.532 875 G N 0.707 109.521 108.800 0.024 0.000 2.433 875 G HA2 -0.167 3.795 3.960 0.003 0.000 0.216 875 G HA3 -0.167 3.795 3.960 0.003 0.000 0.216 875 G C 1.606 176.530 174.900 0.040 0.000 1.186 875 G CA 1.655 46.771 45.100 0.026 0.000 0.779 875 G HN 0.570 nan 8.290 nan 0.000 0.543 876 V N -2.513 117.427 119.914 0.044 0.000 3.590 876 V HA 0.721 4.842 4.120 0.003 0.000 0.265 876 V C 1.036 177.213 176.094 0.139 0.000 1.239 876 V CA 0.470 62.819 62.300 0.082 0.000 1.117 876 V CB -0.316 31.543 31.823 0.060 0.000 0.818 876 V HN 0.483 nan 8.190 nan 0.000 0.451 877 A N 0.210 123.089 122.820 0.098 0.000 2.313 877 A HA 0.719 5.040 4.320 0.003 0.000 0.323 877 A C -0.250 177.394 177.584 0.100 0.000 1.133 877 A CA -0.804 51.310 52.037 0.129 0.000 0.847 877 A CB 1.146 20.188 19.000 0.071 0.000 1.308 877 A HN 0.441 nan 8.150 nan 0.000 0.475 878 Q N -0.138 119.722 119.800 0.101 0.000 2.297 878 Q HA 0.353 4.694 4.340 0.003 0.000 0.267 878 Q C -0.760 175.335 176.000 0.159 0.000 1.006 878 Q CA 0.160 56.027 55.803 0.108 0.000 0.896 878 Q CB 0.631 29.424 28.738 0.092 0.000 1.186 878 Q HN 0.719 nan 8.270 nan 0.000 0.392 879 c N 5.564 124.246 118.600 0.137 0.000 2.319 879 c HA 0.584 5.155 4.570 0.003 0.000 0.335 879 c C -0.637 173.534 174.090 0.136 0.000 1.274 879 c CA -0.794 55.616 56.329 0.135 0.000 1.806 879 c CB -0.394 42.166 42.510 0.084 0.000 2.329 879 c HN 0.920 nan 8.230 nan 0.000 0.524 880 L N 6.478 127.799 121.223 0.163 0.000 2.287 880 L HA 0.526 4.868 4.340 0.003 0.000 0.287 880 L C -0.429 176.474 176.870 0.054 0.000 1.022 880 L CA -0.193 54.677 54.840 0.051 0.000 0.814 880 L CB 0.544 42.586 42.059 -0.028 0.000 1.217 880 L HN 0.687 nan 8.230 nan 0.000 0.420 881 K N 6.111 126.505 120.400 -0.010 0.000 2.159 881 K HA 0.574 4.896 4.320 0.003 0.000 0.266 881 K C -1.091 175.452 176.600 -0.094 0.000 0.975 881 K CA -0.519 55.758 56.287 -0.016 0.000 0.865 881 K CB 2.102 34.608 32.500 0.010 0.000 1.087 881 K HN 0.560 nan 8.250 nan 0.000 0.446 882 I N 3.719 124.208 120.570 -0.136 0.000 2.410 882 I HA 0.161 4.333 4.170 0.003 0.000 0.286 882 I C -0.205 175.772 176.117 -0.234 0.000 1.009 882 I CA -1.181 59.973 61.300 -0.244 0.000 1.111 882 I CB 1.690 39.445 38.000 -0.408 0.000 1.262 882 I HN 0.291 nan 8.210 nan 0.000 0.443 883 V N 3.056 122.831 119.914 -0.231 0.000 2.567 883 V HA 0.617 4.738 4.120 0.003 0.000 0.289 883 V C -0.239 175.688 176.094 -0.278 0.000 1.049 883 V CA -0.371 61.731 62.300 -0.330 0.000 0.969 883 V CB 1.269 32.922 31.823 -0.283 0.000 0.995 883 V HN 0.830 nan 8.190 nan 0.000 0.471 884 c N 3.801 122.225 118.600 -0.294 0.000 2.626 884 c HA 0.668 5.240 4.570 0.003 0.000 0.310 884 c C -0.313 173.689 174.090 -0.147 0.000 1.191 884 c CA -0.440 55.778 56.329 -0.185 0.000 1.517 884 c CB 1.422 43.837 42.510 -0.158 0.000 2.102 884 c HN 0.990 nan 8.230 nan 0.000 0.479 885 Q N 1.567 121.315 119.800 -0.087 0.000 2.400 885 Q HA 0.535 4.876 4.340 0.003 0.000 0.255 885 Q C -0.553 175.435 176.000 -0.019 0.000 1.008 885 Q CA -0.084 55.687 55.803 -0.053 0.000 0.841 885 Q CB 1.245 29.959 28.738 -0.039 0.000 1.220 885 Q HN 0.597 nan 8.270 nan 0.000 0.474 886 V N 2.295 122.214 119.914 0.007 0.000 2.546 886 V HA 0.532 4.654 4.120 0.003 0.000 0.284 886 V C 0.978 177.124 176.094 0.087 0.000 1.050 886 V CA -0.133 62.202 62.300 0.059 0.000 0.981 886 V CB 1.233 33.131 31.823 0.125 0.000 0.990 886 V HN 0.894 nan 8.190 nan 0.000 0.474 887 G N 3.564 112.393 108.800 0.049 0.000 2.735 887 G HA2 0.182 4.144 3.960 0.003 0.000 0.192 887 G HA3 0.182 4.144 3.960 0.003 0.000 0.192 887 G C 0.133 175.024 174.900 -0.015 0.000 1.547 887 G CA -0.525 44.584 45.100 0.015 0.000 1.080 887 G HN 0.611 nan 8.290 nan 0.000 0.569 888 R N 0.250 120.685 120.500 -0.108 0.000 2.220 888 R HA 0.272 4.613 4.340 0.003 0.000 0.340 888 R C -0.748 175.323 176.300 -0.383 0.000 1.076 888 R CA -0.205 55.748 56.100 -0.246 0.000 0.920 888 R CB -0.270 29.928 30.300 -0.169 0.000 1.062 888 R HN 0.256 nan 8.270 nan 0.000 0.469 889 L N 5.102 125.841 121.223 -0.807 0.000 2.257 889 L HA 0.258 4.599 4.340 0.003 0.000 0.290 889 L C 0.090 176.619 176.870 -0.568 0.000 1.044 889 L CA -0.580 53.848 54.840 -0.687 0.000 0.810 889 L CB 1.412 43.001 42.059 -0.783 0.000 1.193 889 L HN 0.546 nan 8.230 nan 0.000 0.425 890 D N 2.856 123.090 120.400 -0.277 0.000 2.423 890 D HA 0.116 4.758 4.640 0.003 0.000 0.255 890 D C 0.369 176.618 176.300 -0.086 0.000 1.174 890 D CA -0.495 53.419 54.000 -0.144 0.000 1.008 890 D CB 0.937 41.690 40.800 -0.079 0.000 1.101 890 D HN 0.291 nan 8.370 nan 0.000 0.516 891 R N 0.376 120.869 120.500 -0.011 0.000 2.504 891 R HA 0.066 4.408 4.340 0.003 0.000 0.291 891 R C 0.404 176.702 176.300 -0.003 0.000 0.974 891 R CA 0.890 56.999 56.100 0.015 0.000 1.077 891 R CB -0.534 29.793 30.300 0.044 0.000 0.926 891 R HN 0.674 nan 8.270 nan 0.000 0.407 892 G N 3.765 112.564 108.800 -0.002 0.000 2.256 892 G HA2 -0.229 3.733 3.960 0.003 0.000 0.272 892 G HA3 -0.229 3.733 3.960 0.003 0.000 0.272 892 G C -0.546 174.342 174.900 -0.021 0.000 1.076 892 G CA 0.295 45.391 45.100 -0.006 0.000 0.882 892 G HN 0.584 nan 8.290 nan 0.000 0.497 893 K N -0.636 119.741 120.400 -0.038 0.000 2.509 893 K HA 0.836 5.158 4.320 0.003 0.000 0.266 893 K C -0.232 176.335 176.600 -0.055 0.000 0.987 893 K CA -0.126 56.130 56.287 -0.052 0.000 0.868 893 K CB 2.195 34.646 32.500 -0.082 0.000 1.421 893 K HN 0.768 nan 8.250 nan 0.000 0.444 894 S N -0.893 114.780 115.700 -0.046 0.000 2.550 894 S HA 0.785 5.256 4.470 0.003 0.000 0.270 894 S C -1.216 173.366 174.600 -0.030 0.000 1.145 894 S CA -1.070 57.107 58.200 -0.038 0.000 0.852 894 S CB 1.910 65.091 63.200 -0.030 0.000 1.119 894 S HN 0.651 nan 8.310 nan 0.000 0.465 895 A N 1.655 124.459 122.820 -0.027 0.000 2.324 895 A HA 0.891 5.213 4.320 0.003 0.000 0.330 895 A C -0.628 176.929 177.584 -0.044 0.000 1.165 895 A CA -0.883 51.142 52.037 -0.020 0.000 0.813 895 A CB 0.315 19.310 19.000 -0.007 0.000 1.197 895 A HN 0.844 nan 8.150 nan 0.000 0.484 896 I N 2.280 122.817 120.570 -0.055 0.000 2.534 896 I HA 0.324 4.496 4.170 0.003 0.000 0.288 896 I C -0.952 175.049 176.117 -0.194 0.000 1.077 896 I CA -0.345 60.851 61.300 -0.174 0.000 1.051 896 I CB 1.897 39.730 38.000 -0.280 0.000 1.234 896 I HN 0.509 nan 8.210 nan 0.000 0.425 897 L N 6.712 127.817 121.223 -0.197 0.000 2.280 897 L HA 0.469 4.811 4.340 0.003 0.000 0.287 897 L C -1.351 175.433 176.870 -0.144 0.000 1.023 897 L CA -0.583 54.207 54.840 -0.084 0.000 0.819 897 L CB 0.849 42.892 42.059 -0.027 0.000 1.212 897 L HN 0.526 nan 8.230 nan 0.000 0.420 898 Y N 4.190 124.560 120.300 0.116 0.000 2.454 898 Y HA 0.269 4.820 4.550 0.002 0.000 0.345 898 Y C 0.235 176.206 175.900 0.118 0.000 0.970 898 Y CA -0.629 57.541 58.100 0.117 0.000 1.204 898 Y CB 1.264 39.780 38.460 0.094 0.000 1.122 898 Y HN 0.181 nan 8.280 nan 0.000 0.514 899 V N 5.012 125.060 119.914 0.224 0.000 2.334 899 V HA 0.178 4.299 4.120 0.003 0.000 0.267 899 V C 0.034 176.195 176.094 0.111 0.000 1.040 899 V CA -1.040 61.307 62.300 0.080 0.000 0.866 899 V CB 0.839 32.593 31.823 -0.115 0.000 1.019 899 V HN 0.577 nan 8.190 nan 0.000 0.468 900 K N 4.303 124.767 120.400 0.108 0.000 2.262 900 K HA 0.515 4.836 4.320 0.003 0.000 0.282 900 K C 0.127 176.789 176.600 0.102 0.000 1.066 900 K CA -0.133 56.233 56.287 0.131 0.000 0.901 900 K CB 0.787 33.373 32.500 0.144 0.000 1.089 900 K HN 0.806 nan 8.250 nan 0.000 0.476 901 S N 3.615 119.409 115.700 0.156 0.000 2.599 901 S HA 0.601 5.072 4.470 0.003 0.000 0.294 901 S C -1.065 173.689 174.600 0.256 0.000 1.094 901 S CA -1.060 57.271 58.200 0.218 0.000 0.931 901 S CB 1.250 64.657 63.200 0.345 0.000 1.093 901 S HN 0.331 nan 8.310 nan 0.000 0.488 902 L N 1.628 123.053 121.223 0.337 0.000 2.334 902 L HA 0.548 4.890 4.340 0.003 0.000 0.276 902 L C -0.289 176.784 176.870 0.337 0.000 1.014 902 L CA -0.788 54.230 54.840 0.296 0.000 0.815 902 L CB 1.421 43.662 42.059 0.303 0.000 1.268 902 L HN 0.869 nan 8.230 nan 0.000 0.428 903 L N 3.193 124.547 121.223 0.218 0.000 2.360 903 L HA 0.170 4.511 4.340 0.003 0.000 0.276 903 L C -0.537 176.506 176.870 0.289 0.000 1.121 903 L CA -0.124 54.855 54.840 0.232 0.000 0.845 903 L CB 0.374 42.454 42.059 0.035 0.000 1.143 903 L HN 0.665 nan 8.230 nan 0.000 0.452 904 W N 6.815 128.264 121.300 0.248 0.000 2.290 904 W HA 0.071 4.732 4.660 0.002 0.000 0.408 904 W C 1.015 177.652 176.519 0.197 0.000 0.966 904 W CA 0.022 57.472 57.345 0.175 0.000 1.579 904 W CB 0.647 30.172 29.460 0.109 0.000 1.662 904 W HN 0.883 nan 8.180 nan 0.000 0.341 905 T N -0.047 114.483 114.554 -0.039 0.000 2.720 905 T HA -0.301 4.050 4.350 0.003 0.000 0.268 905 T C 1.409 176.045 174.700 -0.108 0.000 1.037 905 T CA 1.612 63.599 62.100 -0.188 0.000 1.144 905 T CB -0.146 68.146 68.868 -0.959 0.000 0.864 905 T HN 0.465 nan 8.240 nan 0.000 0.444 906 E N 1.008 121.205 120.200 -0.006 0.000 2.149 906 E HA -0.250 4.101 4.350 0.003 0.000 0.215 906 E C 2.432 179.176 176.600 0.240 0.000 1.055 906 E CA 2.120 58.710 56.400 0.316 0.000 0.870 906 E CB -0.864 29.100 29.700 0.440 0.000 0.764 906 E HN 0.603 nan 8.360 nan 0.000 0.463 907 T N 0.713 115.383 114.554 0.193 0.000 2.652 907 T HA -0.171 4.180 4.350 0.003 0.000 0.267 907 T C 1.624 176.228 174.700 -0.160 0.000 1.039 907 T CA 1.580 63.627 62.100 -0.087 0.000 1.153 907 T CB -0.467 68.138 68.868 -0.440 0.000 0.863 907 T HN 0.147 nan 8.240 nan 0.000 0.428 908 F N 0.666 120.659 119.950 0.072 0.000 2.502 908 F HA 0.142 4.671 4.527 0.003 0.000 0.298 908 F C 1.318 177.222 175.800 0.174 0.000 1.111 908 F CA 0.152 58.206 58.000 0.090 0.000 1.445 908 F CB -0.562 38.432 39.000 -0.009 0.000 1.081 908 F HN 0.040 nan 8.300 nan 0.000 0.558 909 M N 1.165 120.930 119.600 0.274 0.000 3.705 909 M HA 0.002 4.484 4.480 0.003 0.000 0.191 909 M C -0.444 176.007 176.300 0.252 0.000 1.570 909 M CA -0.203 55.283 55.300 0.310 0.000 1.714 909 M CB -2.147 30.645 32.600 0.320 0.000 1.148 909 M HN 0.057 nan 8.290 nan 0.000 0.547 910 N N 1.795 120.625 118.700 0.217 0.000 2.394 910 N HA -0.078 4.664 4.740 0.003 0.000 0.282 910 N C 0.971 176.567 175.510 0.144 0.000 1.351 910 N CA -0.006 53.136 53.050 0.154 0.000 0.936 910 N CB 0.618 39.201 38.487 0.160 0.000 1.274 910 N HN 0.129 nan 8.380 nan 0.000 0.489 911 K N 2.232 122.748 120.400 0.194 0.000 2.365 911 K HA -0.106 4.215 4.320 0.003 0.000 0.199 911 K C 1.010 177.740 176.600 0.218 0.000 1.045 911 K CA 0.892 57.339 56.287 0.266 0.000 0.962 911 K CB 0.127 32.745 32.500 0.197 0.000 0.759 911 K HN 0.547 nan 8.250 nan 0.000 0.469 912 E N 0.775 121.057 120.200 0.137 0.000 2.023 912 E HA -0.092 4.259 4.350 0.003 0.000 0.196 912 E C 0.278 176.945 176.600 0.111 0.000 1.003 912 E CA 0.994 57.458 56.400 0.106 0.000 0.809 912 E CB 0.075 29.822 29.700 0.078 0.000 0.755 912 E HN 0.084 nan 8.360 nan 0.000 0.449 913 N N -0.743 117.984 118.700 0.045 0.000 3.429 913 N HA -0.013 4.729 4.740 0.003 0.000 0.221 913 N C -0.721 174.611 175.510 -0.298 0.000 1.195 913 N CA -0.007 52.983 53.050 -0.100 0.000 0.938 913 N CB 0.978 39.436 38.487 -0.049 0.000 1.609 913 N HN -0.007 nan 8.380 nan 0.000 0.704 914 Q N 0.523 119.893 119.800 -0.717 0.000 2.280 914 Q HA -0.291 4.050 4.340 0.003 0.000 0.375 914 Q C 0.133 175.995 176.000 -0.229 0.000 1.768 914 Q CA 2.232 57.604 55.803 -0.720 0.000 0.872 914 Q CB -1.069 27.236 28.738 -0.721 0.000 1.534 914 Q HN 0.926 nan 8.270 nan 0.000 0.866 915 N N 0.083 118.721 118.700 -0.104 0.000 3.355 915 N HA 0.506 5.248 4.740 0.003 0.000 0.238 915 N C -1.270 174.323 175.510 0.138 0.000 1.466 915 N CA -0.133 52.996 53.050 0.132 0.000 0.882 915 N CB 1.993 40.535 38.487 0.093 0.000 1.406 915 N HN 0.591 nan 8.380 nan 0.000 0.500 916 H N -1.316 117.745 119.070 -0.015 0.000 2.987 916 H HA 0.434 4.992 4.556 0.003 0.000 0.316 916 H C -1.390 173.651 175.328 -0.479 0.000 1.380 916 H CA -0.222 55.666 56.048 -0.267 0.000 1.160 916 H CB 1.585 31.121 29.762 -0.377 0.000 1.865 916 H HN 0.562 nan 8.280 nan 0.000 0.521 917 S N 2.271 117.411 115.700 -0.933 0.000 2.465 917 S HA 0.179 4.650 4.470 0.003 0.000 0.280 917 S C -1.055 173.041 174.600 -0.839 0.000 1.232 917 S CA -0.003 57.767 58.200 -0.717 0.000 1.066 917 S CB -0.472 62.320 63.200 -0.680 0.000 0.929 917 S HN 0.289 nan 8.310 nan 0.000 0.494 918 Y N 1.246 121.400 120.300 -0.243 0.000 2.377 918 Y HA 0.440 4.992 4.550 0.002 0.000 0.339 918 Y C 0.578 176.396 175.900 -0.136 0.000 1.011 918 Y CA -0.851 57.160 58.100 -0.148 0.000 1.093 918 Y CB 1.650 40.144 38.460 0.057 0.000 1.201 918 Y HN 0.521 nan 8.280 nan 0.000 0.455 919 S N 4.743 120.511 115.700 0.113 0.000 2.474 919 S HA 0.481 4.952 4.470 0.003 0.000 0.320 919 S C -0.959 173.677 174.600 0.060 0.000 1.067 919 S CA -0.704 57.554 58.200 0.096 0.000 1.127 919 S CB -0.513 62.791 63.200 0.174 0.000 0.971 919 S HN 0.614 nan 8.310 nan 0.000 0.472 920 L N 6.033 127.265 121.223 0.016 0.000 2.325 920 L HA 0.397 4.739 4.340 0.003 0.000 0.284 920 L C 0.448 177.289 176.870 -0.049 0.000 1.089 920 L CA -0.255 54.565 54.840 -0.032 0.000 0.836 920 L CB 0.122 42.144 42.059 -0.062 0.000 1.184 920 L HN 0.572 nan 8.230 nan 0.000 0.444 921 K N 3.024 123.391 120.400 -0.056 0.000 2.274 921 K HA 0.579 4.901 4.320 0.003 0.000 0.262 921 K C -0.458 176.103 176.600 -0.064 0.000 0.961 921 K CA -0.522 55.749 56.287 -0.027 0.000 0.833 921 K CB 1.768 34.269 32.500 0.003 0.000 1.102 921 K HN 0.536 nan 8.250 nan 0.000 0.436 922 S N 1.769 117.466 115.700 -0.005 0.000 2.638 922 S HA 0.631 5.102 4.470 0.003 0.000 0.298 922 S C -0.501 174.215 174.600 0.194 0.000 1.111 922 S CA -0.742 57.495 58.200 0.061 0.000 1.027 922 S CB 1.326 64.606 63.200 0.134 0.000 1.064 922 S HN 0.769 nan 8.310 nan 0.000 0.525 923 S N -0.143 115.647 115.700 0.151 0.000 2.549 923 S HA 0.860 5.332 4.470 0.003 0.000 0.280 923 S C -0.872 173.718 174.600 -0.016 0.000 1.109 923 S CA -0.909 57.364 58.200 0.122 0.000 0.905 923 S CB 1.406 64.648 63.200 0.070 0.000 1.081 923 S HN 1.585 nan 8.310 nan 0.000 0.477 924 A N 1.662 124.451 122.820 -0.052 0.000 2.359 924 A HA 0.859 5.181 4.320 0.003 0.000 0.303 924 A C -0.076 177.520 177.584 0.019 0.000 1.066 924 A CA -0.603 51.322 52.037 -0.187 0.000 0.730 924 A CB 1.284 19.898 19.000 -0.643 0.000 1.211 924 A HN 1.594 nan 8.150 nan 0.000 0.439 925 S N 1.070 116.797 115.700 0.046 0.000 2.648 925 S HA 0.944 5.415 4.470 0.003 0.000 0.305 925 S C -0.485 174.224 174.600 0.181 0.000 1.094 925 S CA -0.610 57.641 58.200 0.084 0.000 0.983 925 S CB 1.374 64.569 63.200 -0.010 0.000 1.101 925 S HN 1.633 nan 8.310 nan 0.000 0.514 926 F N -0.747 119.203 119.950 -0.001 0.000 2.613 926 F HA 0.713 5.242 4.527 0.003 0.000 0.314 926 F C -1.022 174.755 175.800 -0.039 0.000 1.075 926 F CA -0.943 57.046 58.000 -0.019 0.000 0.945 926 F CB 1.617 40.583 39.000 -0.056 0.000 1.310 926 F HN 0.772 nan 8.300 nan 0.000 0.467 927 N N 1.995 120.700 118.700 0.008 0.000 2.454 927 N HA 0.467 5.209 4.740 0.003 0.000 0.291 927 N C -2.066 173.411 175.510 -0.054 0.000 1.079 927 N CA -0.587 52.394 53.050 -0.115 0.000 0.893 927 N CB 2.429 40.863 38.487 -0.088 0.000 1.512 927 N HN 0.604 nan 8.380 nan 0.000 0.497 928 V N 5.578 125.426 119.914 -0.110 0.000 2.455 928 V HA 0.149 4.270 4.120 0.003 0.000 0.273 928 V C 1.493 177.445 176.094 -0.237 0.000 1.045 928 V CA -0.114 61.980 62.300 -0.343 0.000 0.976 928 V CB 0.782 32.297 31.823 -0.513 0.000 0.993 928 V HN 0.674 nan 8.190 nan 0.000 0.475 929 I N 0.171 120.594 120.570 -0.245 0.000 3.790 929 I HA 0.483 4.655 4.170 0.003 0.000 0.305 929 I C 0.501 176.557 176.117 -0.102 0.000 1.253 929 I CA 0.436 61.669 61.300 -0.111 0.000 1.355 929 I CB 0.602 38.566 38.000 -0.059 0.000 1.137 929 I HN 0.422 nan 8.210 nan 0.000 0.435 930 E N 0.950 121.004 120.200 -0.244 0.000 2.393 930 E HA 0.569 4.920 4.350 0.003 0.000 0.273 930 E C -1.773 174.591 176.600 -0.394 0.000 0.918 930 E CA -0.515 55.801 56.400 -0.140 0.000 0.773 930 E CB 3.070 32.751 29.700 -0.033 0.000 1.275 930 E HN 0.058 nan 8.360 nan 0.000 0.451 931 F N 0.646 120.653 119.950 0.095 0.000 2.588 931 F HA 0.321 4.849 4.527 0.002 0.000 0.310 931 F C -1.496 174.263 175.800 -0.068 0.000 1.082 931 F CA -1.632 56.414 58.000 0.077 0.000 0.929 931 F CB 1.931 41.047 39.000 0.193 0.000 1.254 931 F HN 0.204 nan 8.300 nan 0.000 0.455 932 P HA -0.086 nan 4.420 nan 0.000 0.233 932 P C -0.285 176.860 177.300 -0.259 0.000 1.167 932 P CA 1.042 63.980 63.100 -0.270 0.000 0.770 932 P CB -0.124 31.313 31.700 -0.438 0.000 0.837 933 Y N 0.436 120.831 120.300 0.159 0.000 2.826 933 Y HA 0.297 4.849 4.550 0.002 0.000 0.371 933 Y C 1.905 177.854 175.900 0.082 0.000 1.252 933 Y CA -0.485 57.673 58.100 0.096 0.000 1.813 933 Y CB -0.289 38.213 38.460 0.070 0.000 1.913 933 Y HN -0.170 nan 8.280 nan 0.000 0.447 934 K N 0.890 121.380 120.400 0.151 0.000 2.442 934 K HA -0.165 4.156 4.320 0.003 0.000 0.198 934 K C 0.896 177.554 176.600 0.097 0.000 1.042 934 K CA 0.822 57.180 56.287 0.119 0.000 0.958 934 K CB 0.129 32.676 32.500 0.079 0.000 0.766 934 K HN 0.372 nan 8.250 nan 0.000 0.474 935 N N 0.467 119.226 118.700 0.097 0.000 2.251 935 N HA 0.063 4.805 4.740 0.003 0.000 0.217 935 N C -1.355 174.184 175.510 0.048 0.000 1.124 935 N CA -0.063 53.025 53.050 0.063 0.000 0.843 935 N CB 0.327 38.847 38.487 0.054 0.000 1.024 935 N HN 0.031 nan 8.380 nan 0.000 0.501 936 L N 0.527 121.783 121.223 0.056 0.000 2.445 936 L HA 0.591 4.933 4.340 0.003 0.000 0.262 936 L C -2.460 174.406 176.870 -0.007 0.000 0.974 936 L CA -1.759 53.090 54.840 0.015 0.000 0.822 936 L CB 1.881 43.944 42.059 0.007 0.000 1.339 936 L HN -0.085 nan 8.230 nan 0.000 0.409 937 P HA 0.081 nan 4.420 nan 0.000 0.257 937 P C -0.456 176.784 177.300 -0.099 0.000 1.162 937 P CA 0.685 63.757 63.100 -0.046 0.000 0.762 937 P CB 0.114 31.785 31.700 -0.047 0.000 0.753 938 I N -0.754 119.753 120.570 -0.105 0.000 3.264 938 I HA 0.798 4.970 4.170 0.003 0.000 0.309 938 I C -0.434 175.612 176.117 -0.118 0.000 1.099 938 I CA -1.237 59.916 61.300 -0.245 0.000 0.989 938 I CB 2.549 40.416 38.000 -0.222 0.000 1.250 938 I HN 0.167 nan 8.210 nan 0.000 0.478 939 E N 0.768 120.910 120.200 -0.096 0.000 2.422 939 E HA 0.229 4.581 4.350 0.003 0.000 0.289 939 E C -1.931 174.794 176.600 0.209 0.000 0.985 939 E CA -0.648 55.786 56.400 0.055 0.000 0.812 939 E CB 1.667 31.377 29.700 0.016 0.000 1.226 939 E HN 0.645 nan 8.360 nan 0.000 0.419 940 D N 2.862 123.367 120.400 0.175 0.000 2.424 940 D HA 0.233 4.874 4.640 0.003 0.000 0.244 940 D C -0.282 176.075 176.300 0.095 0.000 1.134 940 D CA 0.566 54.656 54.000 0.151 0.000 0.881 940 D CB 0.560 41.394 40.800 0.056 0.000 1.191 940 D HN 0.298 nan 8.370 nan 0.000 0.445 941 I N 1.717 122.338 120.570 0.086 0.000 2.377 941 I HA 0.264 4.435 4.170 0.003 0.000 0.293 941 I C 0.071 176.075 176.117 -0.188 0.000 0.987 941 I CA -0.264 61.060 61.300 0.040 0.000 1.185 941 I CB 1.658 39.773 38.000 0.192 0.000 1.341 941 I HN 0.102 nan 8.210 nan 0.000 0.455 942 T N 5.000 119.355 114.554 -0.331 0.000 2.912 942 T HA 0.522 4.874 4.350 0.003 0.000 0.299 942 T C -0.693 173.611 174.700 -0.660 0.000 1.052 942 T CA -0.861 60.852 62.100 -0.646 0.000 0.996 942 T CB 1.890 70.548 68.868 -0.351 0.000 1.070 942 T HN 0.519 nan 8.240 nan 0.000 0.465 943 N N 0.341 118.449 118.700 -0.987 0.000 3.261 943 N HA 0.629 5.371 4.740 0.003 0.000 0.248 943 N C -1.716 173.685 175.510 -0.180 0.000 1.498 943 N CA -0.444 52.382 53.050 -0.373 0.000 0.884 943 N CB 2.246 40.716 38.487 -0.027 0.000 1.428 943 N HN 0.844 nan 8.380 nan 0.000 0.517 944 S N -1.125 114.593 115.700 0.029 0.000 2.588 944 S HA 0.797 5.268 4.470 0.003 0.000 0.269 944 S C -1.335 173.336 174.600 0.119 0.000 1.157 944 S CA -0.538 57.718 58.200 0.095 0.000 0.824 944 S CB 1.881 65.096 63.200 0.025 0.000 1.126 944 S HN 0.468 nan 8.310 nan 0.000 0.464 945 T N 1.519 116.162 114.554 0.148 0.000 2.883 945 T HA 0.735 5.086 4.350 0.003 0.000 0.296 945 T C -1.085 173.716 174.700 0.168 0.000 1.117 945 T CA -0.949 61.238 62.100 0.144 0.000 1.006 945 T CB 1.252 70.218 68.868 0.164 0.000 1.191 945 T HN 1.077 nan 8.240 nan 0.000 0.508 946 L N -0.108 121.191 121.223 0.126 0.000 2.408 946 L HA 0.994 5.336 4.340 0.003 0.000 0.268 946 L C -0.495 176.416 176.870 0.068 0.000 0.986 946 L CA -1.273 53.646 54.840 0.132 0.000 0.820 946 L CB 1.601 43.705 42.059 0.075 0.000 1.303 946 L HN 0.543 nan 8.230 nan 0.000 0.411 947 V N 0.263 120.208 119.914 0.053 0.000 2.667 947 V HA 0.831 4.953 4.120 0.003 0.000 0.308 947 V C -0.415 175.618 176.094 -0.102 0.000 1.048 947 V CA 0.099 62.314 62.300 -0.141 0.000 0.928 947 V CB 1.932 33.488 31.823 -0.445 0.000 1.004 947 V HN 0.999 nan 8.190 nan 0.000 0.444 948 T N 2.724 117.206 114.554 -0.121 0.000 2.900 948 T HA 0.668 5.019 4.350 0.003 0.000 0.295 948 T C -0.617 174.065 174.700 -0.031 0.000 1.044 948 T CA -0.200 61.877 62.100 -0.037 0.000 0.995 948 T CB 1.616 70.473 68.868 -0.019 0.000 1.072 948 T HN 1.032 nan 8.240 nan 0.000 0.473 949 T N 4.981 119.548 114.554 0.021 0.000 2.934 949 T HA 0.410 4.761 4.350 0.003 0.000 0.328 949 T C -0.495 174.171 174.700 -0.057 0.000 1.068 949 T CA -0.854 61.246 62.100 -0.000 0.000 1.018 949 T CB 0.234 69.140 68.868 0.064 0.000 1.009 949 T HN 0.543 nan 8.240 nan 0.000 0.471 950 N N 2.488 121.145 118.700 -0.073 0.000 2.430 950 N HA 0.287 5.029 4.740 0.003 0.000 0.265 950 N C -0.463 174.925 175.510 -0.203 0.000 1.100 950 N CA -0.293 52.700 53.050 -0.095 0.000 0.961 950 N CB 1.457 39.909 38.487 -0.059 0.000 1.075 950 N HN 0.304 nan 8.380 nan 0.000 0.478 951 V N 2.416 122.188 119.914 -0.237 0.000 2.350 951 V HA 0.434 4.556 4.120 0.003 0.000 0.276 951 V C 0.629 176.543 176.094 -0.300 0.000 1.028 951 V CA -0.420 61.659 62.300 -0.368 0.000 0.860 951 V CB 0.791 32.259 31.823 -0.592 0.000 0.990 951 V HN 0.816 nan 8.190 nan 0.000 0.453 952 T N -0.075 114.280 114.554 -0.331 0.000 2.831 952 T HA 0.503 4.854 4.350 0.003 0.000 0.287 952 T C -0.009 174.596 174.700 -0.159 0.000 1.070 952 T CA -0.533 61.451 62.100 -0.193 0.000 1.010 952 T CB 1.796 70.592 68.868 -0.121 0.000 1.264 952 T HN 0.390 nan 8.240 nan 0.000 0.532 953 W N -0.193 121.103 121.300 -0.007 0.000 2.728 953 W HA 0.433 5.094 4.660 0.003 0.000 0.270 953 W C 2.258 178.853 176.519 0.127 0.000 1.150 953 W CA 1.262 58.637 57.345 0.049 0.000 1.518 953 W CB -0.382 29.072 29.460 -0.010 0.000 1.069 953 W HN 1.248 nan 8.180 nan 0.000 0.590 954 G N 0.879 109.882 108.800 0.338 0.000 4.825 954 G HA2 -0.343 3.619 3.960 0.003 0.000 0.224 954 G HA3 -0.343 3.619 3.960 0.003 0.000 0.224 954 G C 0.276 175.260 174.900 0.141 0.000 1.356 954 G CA 0.574 45.794 45.100 0.199 0.000 0.966 954 G HN -0.003 nan 8.290 nan 0.000 0.690 955 I N 3.831 124.512 120.570 0.186 0.000 2.483 955 I HA 0.316 4.487 4.170 0.003 0.000 0.291 955 I C 0.817 177.004 176.117 0.117 0.000 1.112 955 I CA 0.694 62.080 61.300 0.143 0.000 1.350 955 I CB -0.379 37.724 38.000 0.171 0.000 1.419 955 I HN 0.719 nan 8.210 nan 0.000 0.523 956 Q N 6.779 126.589 119.800 0.016 0.000 2.462 956 Q HA 0.653 4.994 4.340 0.003 0.000 0.285 956 Q C -2.845 173.112 176.000 -0.073 0.000 1.035 956 Q CA -1.873 53.881 55.803 -0.082 0.000 0.799 956 Q CB 0.815 29.512 28.738 -0.069 0.000 1.452 956 Q HN 0.239 nan 8.270 nan 0.000 0.404 957 P HA 0.145 nan 4.420 nan 0.000 0.263 957 P C -0.957 176.319 177.300 -0.040 0.000 1.175 957 P CA 0.264 63.323 63.100 -0.068 0.000 0.761 957 P CB 0.350 32.002 31.700 -0.080 0.000 0.794 958 A N 4.595 127.400 122.820 -0.026 0.000 2.259 958 A HA 0.547 4.869 4.320 0.003 0.000 0.278 958 A C -1.910 175.666 177.584 -0.014 0.000 1.107 958 A CA -1.069 50.958 52.037 -0.016 0.000 0.828 958 A CB -1.045 17.948 19.000 -0.010 0.000 1.111 958 A HN 0.534 nan 8.150 nan 0.000 0.498 959 P HA 0.300 nan 4.420 nan 0.000 0.264 959 P C -0.813 176.484 177.300 -0.004 0.000 1.193 959 P CA 0.570 63.666 63.100 -0.007 0.000 0.763 959 P CB 0.461 32.158 31.700 -0.005 0.000 0.810 960 M N 4.017 123.615 119.600 -0.003 0.000 2.373 960 M HA 0.240 4.721 4.480 0.003 0.000 0.290 960 M C -2.008 174.294 176.300 0.003 0.000 1.143 960 M CA -1.287 54.014 55.300 0.001 0.000 0.949 960 M CB 2.209 34.811 32.600 0.003 0.000 1.756 960 M HN 0.173 nan 8.290 nan 0.000 0.494 961 P HA 0.133 nan 4.420 nan 0.000 0.204 961 P C 0.565 177.871 177.300 0.009 0.000 1.215 961 P CA 1.001 64.104 63.100 0.006 0.000 0.908 961 P CB 0.176 31.880 31.700 0.006 0.000 0.738 962 V N -0.163 119.758 119.914 0.012 0.000 3.528 962 V HA 0.182 4.303 4.120 0.003 0.000 0.294 962 V C -1.320 174.788 176.094 0.023 0.000 1.404 962 V CA -0.500 61.810 62.300 0.016 0.000 1.065 962 V CB -1.108 30.723 31.823 0.013 0.000 0.904 962 V HN 0.337 nan 8.190 nan 0.000 0.435 963 P HA 0.516 nan 4.420 nan 0.000 0.279 963 P C -0.394 176.941 177.300 0.058 0.000 1.282 963 P CA 0.030 63.151 63.100 0.036 0.000 0.788 963 P CB 1.831 33.550 31.700 0.032 0.000 1.139 964 V N -4.041 115.919 119.914 0.076 0.000 3.181 964 V HA 0.711 4.832 4.120 0.003 0.000 0.314 964 V C -0.400 175.808 176.094 0.190 0.000 1.173 964 V CA -1.026 61.357 62.300 0.138 0.000 1.052 964 V CB 1.731 33.627 31.823 0.122 0.000 1.123 964 V HN 0.843 nan 8.190 nan 0.000 0.454 965 W N 1.756 123.048 121.300 -0.013 0.000 2.390 965 W HA 0.887 5.548 4.660 0.003 0.000 0.362 965 W C -0.949 175.566 176.519 -0.005 0.000 1.206 965 W CA -0.535 56.801 57.345 -0.015 0.000 1.355 965 W CB 0.628 30.073 29.460 -0.025 0.000 1.278 965 W HN 0.932 nan 8.180 nan 0.000 0.653 966 V N -0.530 119.251 119.914 -0.222 0.000 3.147 966 V HA 0.557 4.678 4.120 0.003 0.000 0.306 966 V C -0.108 175.754 176.094 -0.386 0.000 1.209 966 V CA -1.527 60.501 62.300 -0.453 0.000 1.023 966 V CB 1.463 33.165 31.823 -0.202 0.000 1.059 966 V HN 0.687 nan 8.190 nan 0.000 0.435 967 I N 0.000 120.327 120.570 -0.405 0.000 2.984 967 I HA 0.000 4.171 4.170 0.003 0.000 0.288 967 I CA 0.000 61.188 61.300 -0.188 0.000 1.566 967 I CB 0.000 37.895 38.000 -0.174 0.000 1.214 967 I HN 0.000 nan 8.210 nan 0.000 0.494