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 1l5g_1_A DATA FIRST_RESID 1 DATA SEQUENCE FNLDVDSPAE YSGPEGSYFG FAVDFFVPSA SSRMFLLVGA PKANTTQPGI DATA SEQUENCE VEGGQVLKcD WSSTRRcQPI EFDATGNRDY AKDDPLEFKS HQWFGASVRS DATA SEQUENCE KQDKILAcAP LYHWRTEMKQ EREPVGTcFL QDGTKTVEYA PcRSQDIDAD DATA SEQUENCE GQGFcQGGFS IDFTKADRVL LGGPGSFYWQ GQLISDQVAE IVSKYDPNVY DATA SEQUENCE SIKYNNQLAT RTAQAIFDDS YLGYSVAVGD FNGDGIDDFV SGVPRAARTL DATA SEQUENCE GMVYIYDGKN MSSLYNFTGE QMAAYFGFSV AATDINGDDY ADVFIGAPLF DATA SEQUENCE MDRGSDGKLQ EVGQVSVSLQ RASGDFQTTK LNGFEVFARF GSAIAPLGDL DATA SEQUENCE DQDGFNDIAI AAPYGGEDKK GIVYIFNGRS TGLNAVPSQI LEGQWAARSM DATA SEQUENCE PPSFGYSMKG ATDIDKNGYP DLIVGAFGVD RAILYRARPV ITVNAGLEVY DATA SEQUENCE PSILNQDNKT cSLPGTALKV ScFNVRFcLK ADGKGVLPRK LNFQVELLLD DATA SEQUENCE KLKQKGAIRR ALFLYSRSPS HSKNMTISRG GLMQcEELIA YLRDESEFRD DATA SEQUENCE KLTPITIFME YRLDYRTAAD TTGLQPILNQ FTPANISRQA HILLDcGEDN DATA SEQUENCE VcKPKLEVSV DSDQKKIYIG DDNPLTLIVK AQNQGEGAYE AELIVSIPLQ DATA SEQUENCE ADFIGVVRNN EALARLScAF KTENQTRQVV cDLGNPMKAG TQLLAGLRFS DATA SEQUENCE VHQQSEMDTS VKFDLQIQSS NLFDKVSPVV SHKVDLAVLA AVEIRGVSSP DATA SEQUENCE DHVFLPIPNW EHKENPETEE DVGPVVQHIY ELRNNGPSSF SKAMLHLQWP DATA SEQUENCE YKYNNNTLLY ILHYDIDGPM NcTSDMEINP LRIKISSLXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXDIH TLGcGVAQcL KIVcQVGRLD RGKSAILYVK DATA SEQUENCE SLLWTETFMN KENQNHSYSL KSSASFNVIE FPYKNLPIED ITNSTLVTTN DATA SEQUENCE VTWGIQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 F HA 0.000 nan 4.527 nan 0.000 0.279 1 F C 0.000 175.743 175.800 -0.094 0.000 0.967 1 F CA 0.000 57.944 58.000 -0.093 0.000 1.383 1 F CB 0.000 38.912 39.000 -0.147 0.000 1.145 2 N N 1.567 120.067 118.700 -0.334 0.000 2.425 2 N HA 0.677 5.418 4.740 0.002 0.000 0.289 2 N C -2.145 173.234 175.510 -0.218 0.000 1.074 2 N CA -0.280 52.669 53.050 -0.168 0.000 0.905 2 N CB 2.541 41.026 38.487 -0.005 0.000 1.586 2 N HN 0.137 nan 8.380 nan 0.000 0.490 3 L N 1.712 122.871 121.223 -0.107 0.000 2.455 3 L HA 0.337 4.679 4.340 0.002 0.000 0.264 3 L C -0.054 176.820 176.870 0.006 0.000 0.968 3 L CA -0.856 53.951 54.840 -0.056 0.000 0.827 3 L CB 2.011 44.051 42.059 -0.033 0.000 1.317 3 L HN 0.505 nan 8.230 nan 0.000 0.407 4 D N 1.789 122.219 120.400 0.050 0.000 2.506 4 D HA 0.027 4.668 4.640 0.002 0.000 0.234 4 D C 0.010 176.407 176.300 0.161 0.000 1.143 4 D CA 0.373 54.421 54.000 0.081 0.000 0.871 4 D CB 1.541 42.394 40.800 0.089 0.000 1.190 4 D HN 0.321 nan 8.370 nan 0.000 0.459 5 V N 2.834 122.821 119.914 0.122 0.000 3.337 5 V HA 0.038 4.159 4.120 0.002 0.000 0.307 5 V C 0.996 177.160 176.094 0.116 0.000 1.505 5 V CA -0.304 62.102 62.300 0.177 0.000 1.072 5 V CB 0.532 32.396 31.823 0.069 0.000 0.929 5 V HN 0.547 nan 8.190 nan 0.000 0.455 6 D N 0.622 121.064 120.400 0.069 0.000 2.262 6 D HA 0.086 4.728 4.640 0.002 0.000 0.212 6 D C 0.710 177.022 176.300 0.020 0.000 0.964 6 D CA 0.794 54.806 54.000 0.020 0.000 0.875 6 D CB 0.616 41.407 40.800 -0.015 0.000 0.996 6 D HN 0.394 nan 8.370 nan 0.000 0.497 7 S N 1.925 117.650 115.700 0.041 0.000 2.204 7 S HA 0.253 4.724 4.470 0.002 0.000 0.147 7 S C -2.534 172.095 174.600 0.048 0.000 1.711 7 S CA -0.873 57.345 58.200 0.030 0.000 1.274 7 S CB 2.067 65.277 63.200 0.017 0.000 1.257 7 S HN 0.104 nan 8.310 nan 0.000 0.404 8 P HA 0.459 nan 4.420 nan 0.000 0.284 8 P C -0.689 176.577 177.300 -0.056 0.000 1.258 8 P CA -0.500 62.570 63.100 -0.049 0.000 0.824 8 P CB 0.904 32.389 31.700 -0.359 0.000 1.038 9 A N 2.154 124.977 122.820 0.004 0.000 2.476 9 A HA 0.101 4.422 4.320 0.002 0.000 0.275 9 A C 0.531 177.959 177.584 -0.259 0.000 1.133 9 A CA -0.041 51.941 52.037 -0.092 0.000 0.797 9 A CB -0.552 18.561 19.000 0.188 0.000 1.081 9 A HN 0.543 nan 8.150 nan 0.000 0.510 10 E N 3.179 123.195 120.200 -0.306 0.000 2.115 10 E HA 0.380 4.731 4.350 0.002 0.000 0.282 10 E C -1.619 174.798 176.600 -0.305 0.000 0.987 10 E CA -0.130 56.184 56.400 -0.144 0.000 0.797 10 E CB 0.499 30.235 29.700 0.059 0.000 1.086 10 E HN 0.599 nan 8.360 nan 0.000 0.397 11 Y N 1.345 121.734 120.300 0.147 0.000 2.393 11 Y HA 0.252 4.804 4.550 0.002 0.000 0.341 11 Y C 0.787 176.757 175.900 0.117 0.000 0.988 11 Y CA -0.566 57.629 58.100 0.158 0.000 1.078 11 Y CB 1.918 40.554 38.460 0.294 0.000 1.203 11 Y HN 0.469 nan 8.280 nan 0.000 0.453 12 S N 0.979 116.657 115.700 -0.037 0.000 2.806 12 S HA 1.010 5.482 4.470 0.002 0.000 0.315 12 S C -0.290 173.593 174.600 -1.195 0.000 1.127 12 S CA -0.416 57.547 58.200 -0.394 0.000 0.918 12 S CB 2.097 65.123 63.200 -0.290 0.000 1.240 12 S HN 1.057 nan 8.310 nan 0.000 0.552 13 G N -0.178 108.086 108.800 -0.893 0.000 2.608 13 G HA2 0.632 4.593 3.960 0.002 0.000 0.291 13 G HA3 0.632 4.593 3.960 0.002 0.000 0.291 13 G C -3.380 171.350 174.900 -0.284 0.000 1.425 13 G CA -1.152 43.455 45.100 -0.822 0.000 0.787 13 G HN 0.662 nan 8.290 nan 0.000 0.484 14 P HA 0.121 nan 4.420 nan 0.000 0.265 14 P C -0.003 177.290 177.300 -0.011 0.000 1.187 14 P CA 0.115 63.177 63.100 -0.062 0.000 0.766 14 P CB 0.632 32.310 31.700 -0.036 0.000 0.820 15 E N 1.363 121.559 120.200 -0.007 0.000 2.351 15 E HA 0.299 4.650 4.350 0.002 0.000 0.266 15 E C 0.750 177.378 176.600 0.047 0.000 1.031 15 E CA -0.298 56.117 56.400 0.024 0.000 0.911 15 E CB -0.531 29.177 29.700 0.014 0.000 0.986 15 E HN 0.786 nan 8.360 nan 0.000 0.446 16 G N 3.064 111.924 108.800 0.100 0.000 2.141 16 G HA2 -0.346 3.615 3.960 0.002 0.000 0.231 16 G HA3 -0.346 3.615 3.960 0.002 0.000 0.231 16 G C 0.641 175.575 174.900 0.057 0.000 0.984 16 G CA 0.346 45.516 45.100 0.116 0.000 0.660 16 G HN 0.882 nan 8.290 nan 0.000 0.525 17 S N -0.946 114.814 115.700 0.101 0.000 2.540 17 S HA 0.323 4.794 4.470 0.002 0.000 0.218 17 S C 1.115 175.791 174.600 0.126 0.000 0.977 17 S CA 0.641 58.848 58.200 0.012 0.000 0.918 17 S CB -0.341 62.883 63.200 0.039 0.000 0.806 17 S HN 1.232 nan 8.310 nan 0.000 0.496 18 Y N 0.154 120.474 120.300 0.033 0.000 3.825 18 Y HA -0.280 4.271 4.550 0.002 0.000 0.221 18 Y C 0.208 176.201 175.900 0.155 0.000 1.195 18 Y CA -0.152 58.014 58.100 0.109 0.000 1.699 18 Y CB -2.335 36.005 38.460 -0.200 0.000 1.531 18 Y HN 0.572 nan 8.280 nan 0.000 0.640 19 F N 1.892 121.948 119.950 0.176 0.000 2.519 19 F HA 0.310 4.838 4.527 0.002 0.000 0.381 19 F C 1.041 176.924 175.800 0.138 0.000 1.076 19 F CA 1.554 59.616 58.000 0.102 0.000 1.095 19 F CB 0.235 39.267 39.000 0.052 0.000 1.046 19 F HN 0.276 nan 8.300 nan 0.000 0.559 20 G N 4.826 113.434 108.800 -0.320 0.000 2.164 20 G HA2 -0.323 3.638 3.960 0.002 0.000 0.154 20 G HA3 -0.323 3.638 3.960 0.002 0.000 0.154 20 G C 0.425 175.346 174.900 0.035 0.000 1.014 20 G CA -0.021 44.945 45.100 -0.223 0.000 0.683 20 G HN 0.707 nan 8.290 nan 0.000 0.500 21 F N 1.676 121.577 119.950 -0.082 0.000 2.502 21 F HA 0.558 5.086 4.527 0.002 0.000 0.298 21 F C 1.144 176.896 175.800 -0.079 0.000 1.111 21 F CA 1.606 59.532 58.000 -0.124 0.000 1.445 21 F CB 0.303 39.143 39.000 -0.266 0.000 1.081 21 F HN 0.689 nan 8.300 nan 0.000 0.558 22 A N 0.387 123.141 122.820 -0.110 0.000 2.491 22 A HA 0.579 4.900 4.320 0.002 0.000 0.293 22 A C -1.242 176.216 177.584 -0.209 0.000 1.047 22 A CA -0.155 51.767 52.037 -0.190 0.000 0.735 22 A CB 0.497 19.410 19.000 -0.146 0.000 1.281 22 A HN 0.317 nan 8.150 nan 0.000 0.398 23 V N -0.916 118.864 119.914 -0.225 0.000 3.046 23 V HA 1.007 5.128 4.120 0.002 0.000 0.316 23 V C -0.719 175.224 176.094 -0.251 0.000 1.104 23 V CA -0.621 61.527 62.300 -0.253 0.000 1.006 23 V CB 2.095 33.755 31.823 -0.272 0.000 1.058 23 V HN 0.904 nan 8.190 nan 0.000 0.440 24 D N -0.008 120.224 120.400 -0.280 0.000 2.710 24 D HA 0.407 5.048 4.640 0.002 0.000 0.276 24 D C -1.943 174.210 176.300 -0.245 0.000 1.267 24 D CA -0.328 53.520 54.000 -0.252 0.000 0.772 24 D CB 2.262 43.019 40.800 -0.072 0.000 1.299 24 D HN 0.562 nan 8.370 nan 0.000 0.421 25 F N 1.370 121.365 119.950 0.077 0.000 2.427 25 F HA 0.429 4.957 4.527 0.002 0.000 0.346 25 F C 0.055 175.995 175.800 0.233 0.000 1.120 25 F CA -0.917 57.151 58.000 0.113 0.000 1.033 25 F CB 1.381 40.411 39.000 0.050 0.000 1.126 25 F HN 0.086 nan 8.300 nan 0.000 0.462 26 F N 5.519 125.650 119.950 0.302 0.000 2.325 26 F HA 0.545 5.073 4.527 0.002 0.000 0.369 26 F C -1.068 174.876 175.800 0.240 0.000 1.095 26 F CA -0.916 57.231 58.000 0.245 0.000 1.082 26 F CB 0.911 40.059 39.000 0.247 0.000 1.289 26 F HN 0.193 nan 8.300 nan 0.000 0.462 27 V N 8.940 128.798 119.914 -0.093 0.000 2.239 27 V HA 0.450 4.571 4.120 0.002 0.000 0.267 27 V C -2.364 173.523 176.094 -0.345 0.000 1.056 27 V CA -2.383 59.773 62.300 -0.239 0.000 0.830 27 V CB 0.482 32.233 31.823 -0.121 0.000 1.090 27 V HN 0.560 nan 8.190 nan 0.000 0.459 28 P HA 0.178 nan 4.420 nan 0.000 0.268 28 P C 0.778 177.978 177.300 -0.168 0.000 1.205 28 P CA 0.351 63.226 63.100 -0.376 0.000 0.771 28 P CB 1.083 32.565 31.700 -0.364 0.000 0.858 29 S N 2.168 117.811 115.700 -0.094 0.000 2.387 29 S HA -0.063 4.408 4.470 0.002 0.000 0.226 29 S C 1.680 176.251 174.600 -0.048 0.000 1.026 29 S CA 1.154 59.317 58.200 -0.062 0.000 0.972 29 S CB -0.523 62.653 63.200 -0.040 0.000 0.814 29 S HN 0.575 nan 8.310 nan 0.000 0.477 30 A N 0.080 122.880 122.820 -0.034 0.000 2.276 30 A HA 0.414 4.735 4.320 0.002 0.000 0.212 30 A C 0.775 178.350 177.584 -0.015 0.000 1.230 30 A CA 0.067 52.094 52.037 -0.017 0.000 0.844 30 A CB -0.032 18.968 19.000 0.000 0.000 0.860 30 A HN 0.276 nan 8.150 nan 0.000 0.486 31 S N -1.592 114.087 115.700 -0.034 0.000 2.549 31 S HA 0.418 4.889 4.470 0.002 0.000 0.280 31 S C 1.228 175.799 174.600 -0.049 0.000 1.109 31 S CA 0.116 58.302 58.200 -0.023 0.000 0.905 31 S CB 1.536 64.743 63.200 0.011 0.000 1.081 31 S HN 0.595 nan 8.310 nan 0.000 0.477 32 S N 3.473 119.151 115.700 -0.037 0.000 2.368 32 S HA -0.036 4.435 4.470 0.002 0.000 0.224 32 S C 0.837 175.390 174.600 -0.077 0.000 1.029 32 S CA 0.323 58.494 58.200 -0.048 0.000 0.988 32 S CB -0.493 62.691 63.200 -0.028 0.000 0.838 32 S HN 0.858 nan 8.310 nan 0.000 0.462 33 R N 1.263 121.704 120.500 -0.098 0.000 2.573 33 R HA 0.652 4.993 4.340 0.002 0.000 0.272 33 R C 0.250 176.350 176.300 -0.333 0.000 1.009 33 R CA -0.967 55.020 56.100 -0.189 0.000 1.059 33 R CB 0.606 30.781 30.300 -0.208 0.000 1.112 33 R HN 0.332 nan 8.270 nan 0.000 0.517 34 M N 0.171 119.521 119.600 -0.418 0.000 2.821 34 M HA 0.609 5.090 4.480 0.002 0.000 0.304 34 M C -1.263 174.664 176.300 -0.621 0.000 1.233 34 M CA -0.773 54.289 55.300 -0.397 0.000 0.851 34 M CB 1.311 33.798 32.600 -0.188 0.000 1.723 34 M HN 0.580 nan 8.290 nan 0.000 0.493 35 F N -0.381 119.666 119.950 0.162 0.000 2.692 35 F HA 0.710 5.238 4.527 0.002 0.000 0.320 35 F C -1.136 174.812 175.800 0.247 0.000 1.123 35 F CA -0.910 57.233 58.000 0.237 0.000 0.961 35 F CB 1.332 40.491 39.000 0.265 0.000 1.383 35 F HN 0.342 nan 8.300 nan 0.000 0.483 36 L N 1.974 123.407 121.223 0.350 0.000 2.317 36 L HA 0.578 4.919 4.340 0.002 0.000 0.281 36 L C -0.926 175.977 176.870 0.055 0.000 1.024 36 L CA -0.190 54.708 54.840 0.097 0.000 0.810 36 L CB 1.388 43.360 42.059 -0.146 0.000 1.240 36 L HN 0.335 nan 8.230 nan 0.000 0.427 37 L N 4.113 125.326 121.223 -0.018 0.000 2.305 37 L HA 0.624 4.966 4.340 0.002 0.000 0.284 37 L C -0.936 175.839 176.870 -0.157 0.000 1.013 37 L CA -0.776 54.033 54.840 -0.051 0.000 0.819 37 L CB 1.730 43.771 42.059 -0.031 0.000 1.227 37 L HN 0.223 nan 8.230 nan 0.000 0.417 38 V N 2.165 121.970 119.914 -0.181 0.000 2.376 38 V HA 0.438 4.559 4.120 0.002 0.000 0.287 38 V C 0.688 176.612 176.094 -0.284 0.000 1.015 38 V CA -0.649 61.448 62.300 -0.339 0.000 0.834 38 V CB 1.458 32.866 31.823 -0.691 0.000 1.001 38 V HN 0.859 nan 8.190 nan 0.000 0.428 39 G N 3.390 112.035 108.800 -0.258 0.000 2.406 39 G HA2 0.521 4.482 3.960 0.002 0.000 0.251 39 G HA3 0.521 4.482 3.960 0.002 0.000 0.251 39 G C 0.071 174.874 174.900 -0.162 0.000 1.271 39 G CA 0.259 45.229 45.100 -0.217 0.000 0.859 39 G HN 1.217 nan 8.290 nan 0.000 0.540 40 A N 5.204 127.954 122.820 -0.118 0.000 2.943 40 A HA 0.650 4.971 4.320 0.002 0.000 0.327 40 A C -2.202 175.298 177.584 -0.140 0.000 1.141 40 A CA -1.150 50.861 52.037 -0.044 0.000 0.773 40 A CB 1.334 20.405 19.000 0.118 0.000 1.143 40 A HN 0.562 nan 8.150 nan 0.000 0.463 41 P HA 0.125 nan 4.420 nan 0.000 0.274 41 P C 0.141 177.058 177.300 -0.638 0.000 1.260 41 P CA 0.286 63.093 63.100 -0.489 0.000 0.793 41 P CB 0.702 31.945 31.700 -0.761 0.000 1.048 42 K N -3.487 116.503 120.400 -0.684 0.000 3.571 42 K HA -0.197 4.124 4.320 0.002 0.000 0.275 42 K C 0.649 177.087 176.600 -0.270 0.000 1.034 42 K CA 1.666 57.614 56.287 -0.565 0.000 1.116 42 K CB -2.665 29.312 32.500 -0.870 0.000 1.386 42 K HN 0.773 nan 8.250 nan 0.000 0.466 43 A N 2.798 125.500 122.820 -0.197 0.000 2.491 43 A HA 0.264 4.585 4.320 0.002 0.000 0.261 43 A C 0.486 178.034 177.584 -0.061 0.000 1.101 43 A CA -0.035 51.951 52.037 -0.086 0.000 0.772 43 A CB 0.057 19.038 19.000 -0.031 0.000 1.043 43 A HN 0.243 nan 8.150 nan 0.000 0.501 44 N N 1.423 120.093 118.700 -0.050 0.000 2.479 44 N HA 0.292 5.033 4.740 0.002 0.000 0.257 44 N C 0.492 175.987 175.510 -0.025 0.000 1.232 44 N CA 0.836 53.861 53.050 -0.042 0.000 0.920 44 N CB 0.850 39.316 38.487 -0.036 0.000 1.105 44 N HN 0.814 nan 8.380 nan 0.000 0.444 45 T N -3.957 110.581 114.554 -0.027 0.000 2.887 45 T HA 0.340 4.692 4.350 0.002 0.000 0.292 45 T C 1.070 175.755 174.700 -0.024 0.000 1.087 45 T CA -0.793 61.296 62.100 -0.018 0.000 1.009 45 T CB 1.022 69.881 68.868 -0.015 0.000 1.203 45 T HN 0.429 nan 8.240 nan 0.000 0.518 46 T N -1.497 113.044 114.554 -0.022 0.000 3.163 46 T HA 0.030 4.381 4.350 0.002 0.000 0.260 46 T C 0.624 175.308 174.700 -0.027 0.000 1.156 46 T CA 0.130 62.216 62.100 -0.023 0.000 1.072 46 T CB -0.573 68.282 68.868 -0.022 0.000 0.937 46 T HN 0.676 nan 8.240 nan 0.000 0.528 47 Q N 2.519 122.299 119.800 -0.033 0.000 2.263 47 Q HA 0.136 4.477 4.340 0.002 0.000 0.289 47 Q C -2.491 173.495 176.000 -0.024 0.000 1.061 47 Q CA -1.510 54.273 55.803 -0.034 0.000 0.927 47 Q CB -0.130 28.584 28.738 -0.041 0.000 1.154 47 Q HN 0.237 nan 8.270 nan 0.000 0.378 48 P HA -0.074 nan 4.420 nan 0.000 0.256 48 P C 0.456 177.751 177.300 -0.008 0.000 1.189 48 P CA 1.056 64.149 63.100 -0.012 0.000 0.808 48 P CB -0.001 31.694 31.700 -0.008 0.000 0.793 49 G N 3.300 112.095 108.800 -0.009 0.000 2.153 49 G HA2 -0.221 3.740 3.960 0.002 0.000 0.252 49 G HA3 -0.221 3.740 3.960 0.002 0.000 0.252 49 G C 0.077 174.971 174.900 -0.011 0.000 0.994 49 G CA -0.505 44.591 45.100 -0.006 0.000 0.698 49 G HN 0.449 nan 8.290 nan 0.000 0.521 50 I N 1.092 121.647 120.570 -0.025 0.000 2.339 50 I HA 0.443 4.614 4.170 0.002 0.000 0.290 50 I C 0.523 176.584 176.117 -0.092 0.000 0.994 50 I CA -1.411 59.864 61.300 -0.043 0.000 1.191 50 I CB 1.427 39.414 38.000 -0.022 0.000 1.343 50 I HN -0.060 nan 8.210 nan 0.000 0.458 51 V N 5.077 124.880 119.914 -0.185 0.000 2.394 51 V HA 0.375 4.496 4.120 0.002 0.000 0.282 51 V C 0.404 176.263 176.094 -0.391 0.000 1.031 51 V CA -0.824 61.316 62.300 -0.267 0.000 0.881 51 V CB 0.761 32.398 31.823 -0.310 0.000 0.982 51 V HN 0.856 nan 8.190 nan 0.000 0.451 52 E N 2.619 122.705 120.200 -0.190 0.000 2.271 52 E HA -0.207 4.144 4.350 0.002 0.000 0.223 52 E C 1.404 177.952 176.600 -0.088 0.000 1.223 52 E CA 0.481 56.809 56.400 -0.121 0.000 0.704 52 E CB -1.073 28.626 29.700 -0.000 0.000 1.194 52 E HN 1.082 nan 8.360 nan 0.000 0.375 53 G N 0.680 109.449 108.800 -0.052 0.000 2.511 53 G HA2 0.273 4.234 3.960 0.002 0.000 0.217 53 G HA3 0.273 4.234 3.960 0.002 0.000 0.217 53 G C 0.892 175.845 174.900 0.088 0.000 1.133 53 G CA 0.719 45.833 45.100 0.024 0.000 0.792 53 G HN 0.909 nan 8.290 nan 0.000 0.539 54 G N -0.793 108.022 108.800 0.026 0.000 2.756 54 G HA2 0.296 4.257 3.960 0.002 0.000 0.678 54 G HA3 0.296 4.257 3.960 0.002 0.000 0.678 54 G C -0.558 174.438 174.900 0.159 0.000 1.349 54 G CA 0.015 45.135 45.100 0.033 0.000 0.847 54 G HN 1.468 nan 8.290 nan 0.000 0.548 55 Q N -2.507 117.346 119.800 0.090 0.000 2.795 55 Q HA 0.501 4.842 4.340 0.002 0.000 0.225 55 Q C -1.038 174.956 176.000 -0.009 0.000 0.967 55 Q CA -1.134 54.757 55.803 0.146 0.000 1.105 55 Q CB 0.801 29.619 28.738 0.133 0.000 1.759 55 Q HN 1.169 nan 8.270 nan 0.000 0.514 56 V N 3.122 122.996 119.914 -0.067 0.000 2.686 56 V HA 0.361 4.483 4.120 0.002 0.000 0.295 56 V C -0.177 175.937 176.094 0.033 0.000 1.055 56 V CA -0.227 62.009 62.300 -0.107 0.000 1.050 56 V CB 0.851 32.564 31.823 -0.183 0.000 0.984 56 V HN 0.645 nan 8.190 nan 0.000 0.482 57 L N 4.576 125.816 121.223 0.029 0.000 2.346 57 L HA 0.532 4.874 4.340 0.002 0.000 0.274 57 L C -0.023 176.870 176.870 0.038 0.000 1.007 57 L CA -0.185 54.702 54.840 0.077 0.000 0.818 57 L CB 1.578 43.748 42.059 0.186 0.000 1.284 57 L HN 0.536 nan 8.230 nan 0.000 0.424 58 K N 2.085 122.494 120.400 0.015 0.000 2.234 58 K HA 0.516 4.837 4.320 0.002 0.000 0.277 58 K C -1.382 175.237 176.600 0.031 0.000 1.038 58 K CA -0.417 55.860 56.287 -0.018 0.000 0.888 58 K CB 0.817 33.234 32.500 -0.139 0.000 1.091 58 K HN 0.642 nan 8.250 nan 0.000 0.467 59 c N 3.624 122.274 118.600 0.083 0.000 2.376 59 c HA 0.336 4.907 4.570 0.002 0.000 0.335 59 c C -0.789 173.483 174.090 0.303 0.000 1.229 59 c CA -0.870 55.513 56.329 0.090 0.000 1.867 59 c CB 0.562 42.965 42.510 -0.179 0.000 2.319 59 c HN 0.781 nan 8.230 nan 0.000 0.515 60 D N 1.164 121.772 120.400 0.347 0.000 2.359 60 D HA 0.140 4.781 4.640 0.002 0.000 0.230 60 D C -0.032 176.507 176.300 0.399 0.000 1.118 60 D CA -0.293 54.003 54.000 0.492 0.000 0.844 60 D CB 0.407 41.431 40.800 0.375 0.000 1.059 60 D HN 0.735 nan 8.370 nan 0.000 0.493 61 W N 3.004 124.431 121.300 0.212 0.000 3.391 61 W HA 0.045 4.706 4.660 0.002 0.000 0.275 61 W C 1.284 177.887 176.519 0.139 0.000 1.318 61 W CA -0.063 57.417 57.345 0.226 0.000 1.665 61 W CB -0.041 29.504 29.460 0.142 0.000 1.078 61 W HN 0.261 nan 8.180 nan 0.000 0.732 62 S N 0.551 116.204 115.700 -0.079 0.000 2.881 62 S HA -0.027 4.444 4.470 0.002 0.000 0.228 62 S C 1.390 175.818 174.600 -0.288 0.000 0.965 62 S CA 1.042 59.126 58.200 -0.194 0.000 0.998 62 S CB -0.840 62.352 63.200 -0.013 0.000 0.795 62 S HN 0.251 nan 8.310 nan 0.000 0.518 63 S N -0.389 115.040 115.700 -0.451 0.000 3.402 63 S HA -0.172 4.299 4.470 0.002 0.000 0.329 63 S C 1.054 175.566 174.600 -0.146 0.000 1.194 63 S CA 1.315 59.308 58.200 -0.344 0.000 0.951 63 S CB -1.859 61.112 63.200 -0.381 0.000 0.975 63 S HN 0.749 nan 8.310 nan 0.000 0.574 64 T N 0.025 114.546 114.554 -0.056 0.000 3.004 64 T HA 0.169 4.520 4.350 0.002 0.000 0.243 64 T C 1.162 175.895 174.700 0.055 0.000 1.020 64 T CA 0.637 62.740 62.100 0.006 0.000 1.145 64 T CB -0.039 68.857 68.868 0.046 0.000 0.876 64 T HN 0.540 nan 8.240 nan 0.000 0.449 65 R N -0.011 120.591 120.500 0.170 0.000 3.954 65 R HA -0.115 4.226 4.340 0.002 0.000 0.422 65 R C 0.359 176.854 176.300 0.325 0.000 1.091 65 R CA 0.423 56.727 56.100 0.339 0.000 1.168 65 R CB -1.361 28.942 30.300 0.004 0.000 1.752 65 R HN 0.269 nan 8.270 nan 0.000 0.547 66 R N 1.007 121.628 120.500 0.202 0.000 2.490 66 R HA 0.301 4.642 4.340 0.002 0.000 0.280 66 R C -0.815 175.580 176.300 0.159 0.000 1.077 66 R CA 0.139 56.322 56.100 0.138 0.000 1.065 66 R CB 0.751 31.103 30.300 0.087 0.000 1.003 66 R HN 0.200 nan 8.270 nan 0.000 0.470 67 c N 4.102 122.772 118.600 0.116 0.000 2.346 67 c HA 0.391 4.962 4.570 0.002 0.000 0.326 67 c C -0.707 173.423 174.090 0.067 0.000 1.224 67 c CA -0.882 55.515 56.329 0.113 0.000 1.408 67 c CB 1.323 43.933 42.510 0.168 0.000 2.089 67 c HN 0.675 nan 8.230 nan 0.000 0.456 68 Q N 3.886 123.715 119.800 0.048 0.000 2.342 68 Q HA 0.505 4.847 4.340 0.002 0.000 0.267 68 Q C -2.238 173.779 176.000 0.027 0.000 1.038 68 Q CA -2.060 53.759 55.803 0.027 0.000 0.832 68 Q CB 2.232 30.975 28.738 0.009 0.000 1.323 68 Q HN 0.483 nan 8.270 nan 0.000 0.448 69 P HA 0.010 nan 4.420 nan 0.000 0.270 69 P C -0.346 176.973 177.300 0.033 0.000 1.216 69 P CA 0.361 63.492 63.100 0.052 0.000 0.788 69 P CB 0.785 32.517 31.700 0.053 0.000 0.883 70 I N 1.202 121.820 120.570 0.080 0.000 2.378 70 I HA 0.130 4.301 4.170 0.002 0.000 0.291 70 I C 1.168 177.332 176.117 0.078 0.000 0.992 70 I CA -0.882 60.443 61.300 0.041 0.000 1.154 70 I CB 1.258 39.318 38.000 0.100 0.000 1.315 70 I HN 0.342 nan 8.210 nan 0.000 0.448 71 E N 6.563 126.711 120.200 -0.087 0.000 2.220 71 E HA 0.055 4.406 4.350 0.002 0.000 0.272 71 E C -0.707 175.730 176.600 -0.272 0.000 1.099 71 E CA 0.264 56.592 56.400 -0.120 0.000 0.907 71 E CB 0.752 30.371 29.700 -0.135 0.000 1.022 71 E HN 0.510 nan 8.360 nan 0.000 0.428 72 F N 1.594 121.399 119.950 -0.243 0.000 2.534 72 F HA 0.023 4.552 4.527 0.002 0.000 0.274 72 F C 1.907 177.303 175.800 -0.673 0.000 0.917 72 F CA 0.505 58.244 58.000 -0.434 0.000 1.145 72 F CB 0.153 38.861 39.000 -0.486 0.000 1.145 72 F HN 0.437 nan 8.300 nan 0.000 0.746 73 D N -0.031 120.020 120.400 -0.581 0.000 2.435 73 D HA 0.197 4.838 4.640 0.002 0.000 0.257 73 D C -0.025 176.110 176.300 -0.275 0.000 1.290 73 D CA 1.511 55.161 54.000 -0.584 0.000 0.994 73 D CB 0.229 40.671 40.800 -0.596 0.000 1.014 73 D HN 0.146 nan 8.370 nan 0.000 0.378 74 A N -0.514 122.184 122.820 -0.204 0.000 1.736 74 A HA -0.006 4.315 4.320 0.002 0.000 0.241 74 A C 0.695 178.229 177.584 -0.083 0.000 1.265 74 A CA 1.581 53.550 52.037 -0.114 0.000 0.638 74 A CB -2.103 16.838 19.000 -0.097 0.000 1.317 74 A HN 0.762 nan 8.150 nan 0.000 0.231 75 T N -1.327 113.192 114.554 -0.058 0.000 4.022 75 T HA 0.590 4.941 4.350 0.002 0.000 0.322 75 T C 1.636 176.329 174.700 -0.012 0.000 0.840 75 T CA 1.604 63.689 62.100 -0.025 0.000 1.260 75 T CB -0.804 68.065 68.868 0.002 0.000 0.936 75 T HN 3.144 nan 8.240 nan 0.000 0.474 76 G N 1.644 110.439 108.800 -0.008 0.000 2.483 76 G HA2 0.024 3.985 3.960 0.002 0.000 0.521 76 G HA3 0.024 3.985 3.960 0.002 0.000 0.521 76 G C -1.259 173.653 174.900 0.020 0.000 1.278 76 G CA -0.455 44.647 45.100 0.004 0.000 0.965 76 G HN 0.868 nan 8.290 nan 0.000 0.504 77 N N 0.574 119.279 118.700 0.008 0.000 2.497 77 N HA 0.442 5.183 4.740 0.002 0.000 0.271 77 N C 0.624 176.122 175.510 -0.020 0.000 1.142 77 N CA -0.350 52.689 53.050 -0.019 0.000 0.965 77 N CB 0.670 39.102 38.487 -0.092 0.000 1.077 77 N HN 0.528 nan 8.380 nan 0.000 0.462 78 R N 1.339 121.834 120.500 -0.009 0.000 2.560 78 R HA 0.228 4.569 4.340 0.002 0.000 0.270 78 R C -0.800 175.487 176.300 -0.022 0.000 1.074 78 R CA -0.350 55.762 56.100 0.021 0.000 1.140 78 R CB 0.520 30.872 30.300 0.086 0.000 1.073 78 R HN 0.536 nan 8.270 nan 0.000 0.527 79 D N -0.442 119.974 120.400 0.027 0.000 2.272 79 D HA 0.106 4.747 4.640 0.002 0.000 0.247 79 D C -0.265 176.098 176.300 0.105 0.000 0.990 79 D CA -0.431 53.588 54.000 0.032 0.000 0.931 79 D CB 0.915 41.731 40.800 0.027 0.000 1.195 79 D HN 0.531 nan 8.370 nan 0.000 0.477 80 Y N 0.673 120.952 120.300 -0.035 0.000 2.498 80 Y HA 0.566 5.117 4.550 0.002 0.000 0.259 80 Y C -0.113 175.792 175.900 0.008 0.000 1.086 80 Y CA 0.356 58.453 58.100 -0.006 0.000 1.287 80 Y CB 0.478 38.904 38.460 -0.057 0.000 1.146 80 Y HN 0.463 nan 8.280 nan 0.000 0.523 81 A N -0.466 122.355 122.820 0.002 0.000 2.791 81 A HA 0.413 4.734 4.320 0.002 0.000 0.309 81 A C 0.275 177.859 177.584 -0.001 0.000 1.200 81 A CA -0.557 51.439 52.037 -0.069 0.000 0.635 81 A CB 0.265 19.240 19.000 -0.042 0.000 1.393 81 A HN -0.155 nan 8.150 nan 0.000 0.557 82 K N 0.254 120.652 120.400 -0.002 0.000 1.970 82 K HA -0.109 4.213 4.320 0.002 0.000 0.225 82 K C -0.414 176.198 176.600 0.021 0.000 1.045 82 K CA 2.195 58.486 56.287 0.007 0.000 1.002 82 K CB -0.709 31.794 32.500 0.005 0.000 0.743 82 K HN 0.693 nan 8.250 nan 0.000 0.445 83 D N 0.515 120.934 120.400 0.031 0.000 2.683 83 D HA 0.156 4.797 4.640 0.002 0.000 0.309 83 D C -1.182 175.151 176.300 0.055 0.000 1.238 83 D CA -0.033 53.989 54.000 0.037 0.000 0.936 83 D CB 0.431 41.250 40.800 0.032 0.000 1.001 83 D HN 0.096 nan 8.370 nan 0.000 0.505 84 D N 0.754 121.193 120.400 0.064 0.000 2.752 84 D HA 0.186 4.827 4.640 0.002 0.000 0.242 84 D C -2.715 173.625 176.300 0.065 0.000 1.295 84 D CA -1.721 52.335 54.000 0.093 0.000 0.846 84 D CB 0.922 41.808 40.800 0.143 0.000 1.454 84 D HN -0.048 nan 8.370 nan 0.000 0.535 85 P HA -0.042 nan 4.420 nan 0.000 0.269 85 P C 0.558 177.679 177.300 -0.298 0.000 1.205 85 P CA -0.338 62.645 63.100 -0.194 0.000 0.780 85 P CB 0.805 32.286 31.700 -0.365 0.000 0.858 86 L N 1.219 122.259 121.223 -0.306 0.000 2.253 86 L HA 0.148 4.489 4.340 0.002 0.000 0.205 86 L C 0.720 177.379 176.870 -0.352 0.000 1.078 86 L CA 1.568 56.247 54.840 -0.268 0.000 0.805 86 L CB -0.189 41.764 42.059 -0.177 0.000 0.963 86 L HN 0.513 nan 8.230 nan 0.000 0.459 87 E N -1.222 118.676 120.200 -0.502 0.000 2.429 87 E HA 0.373 4.724 4.350 0.002 0.000 0.276 87 E C -1.710 174.407 176.600 -0.805 0.000 0.953 87 E CA -0.809 55.332 56.400 -0.431 0.000 0.787 87 E CB 1.552 31.311 29.700 0.097 0.000 1.307 87 E HN -0.022 nan 8.360 nan 0.000 0.458 88 F N 0.882 120.826 119.950 -0.010 0.000 2.610 88 F HA 0.402 4.930 4.527 0.002 0.000 0.355 88 F C 0.725 176.580 175.800 0.092 0.000 1.140 88 F CA -0.816 57.199 58.000 0.025 0.000 1.037 88 F CB 1.729 40.719 39.000 -0.016 0.000 1.287 88 F HN 0.403 nan 8.300 nan 0.000 0.457 89 K N 0.297 120.848 120.400 0.252 0.000 2.305 89 K HA 0.039 4.360 4.320 0.002 0.000 0.199 89 K C 0.592 177.301 176.600 0.182 0.000 1.047 89 K CA 0.335 56.785 56.287 0.270 0.000 0.976 89 K CB 0.133 32.749 32.500 0.193 0.000 0.765 89 K HN 0.593 nan 8.250 nan 0.000 0.474 90 S N 2.019 117.781 115.700 0.104 0.000 2.544 90 S HA -0.042 4.429 4.470 0.002 0.000 0.290 90 S C -0.125 174.477 174.600 0.004 0.000 1.276 90 S CA -0.267 57.893 58.200 -0.068 0.000 1.075 90 S CB -0.078 63.033 63.200 -0.149 0.000 0.849 90 S HN 0.367 nan 8.310 nan 0.000 0.494 91 H N 0.632 119.768 119.070 0.109 0.000 2.886 91 H HA -0.156 4.402 4.556 0.002 0.000 0.294 91 H C 1.080 176.567 175.328 0.264 0.000 1.246 91 H CA 1.163 57.289 56.048 0.131 0.000 1.142 91 H CB -2.088 27.755 29.762 0.134 0.000 1.358 91 H HN 1.033 nan 8.280 nan 0.000 0.406 92 Q N -1.194 118.804 119.800 0.330 0.000 2.424 92 Q HA -0.019 4.323 4.340 0.002 0.000 0.204 92 Q C 0.295 176.561 176.000 0.443 0.000 0.933 92 Q CA 0.491 56.521 55.803 0.378 0.000 0.929 92 Q CB 0.203 29.161 28.738 0.367 0.000 1.037 92 Q HN 0.458 nan 8.270 nan 0.000 0.511 93 W N 0.010 121.350 121.300 0.067 0.000 4.301 93 W HA -0.216 4.445 4.660 0.001 0.000 0.360 93 W C -0.435 176.078 176.519 -0.009 0.000 1.371 93 W CA 0.035 57.357 57.345 -0.037 0.000 0.781 93 W CB -2.230 27.166 29.460 -0.107 0.000 2.488 93 W HN 0.370 nan 8.180 nan 0.000 1.350 94 F N 1.564 121.552 119.950 0.062 0.000 2.578 94 F HA 0.420 4.948 4.527 0.002 0.000 0.376 94 F C 1.443 177.205 175.800 -0.063 0.000 1.085 94 F CA 1.521 59.519 58.000 -0.003 0.000 1.260 94 F CB 0.736 39.726 39.000 -0.018 0.000 1.095 94 F HN 0.294 nan 8.300 nan 0.000 0.573 95 G N 3.458 111.755 108.800 -0.838 0.000 2.179 95 G HA2 -0.218 3.743 3.960 0.002 0.000 0.220 95 G HA3 -0.218 3.743 3.960 0.002 0.000 0.220 95 G C 0.992 175.730 174.900 -0.270 0.000 0.990 95 G CA 0.121 44.816 45.100 -0.675 0.000 0.646 95 G HN 1.331 nan 8.290 nan 0.000 0.517 96 A N -0.314 122.439 122.820 -0.112 0.000 2.019 96 A HA 0.486 4.807 4.320 0.002 0.000 0.219 96 A C 1.419 179.013 177.584 0.017 0.000 1.164 96 A CA 2.196 54.307 52.037 0.122 0.000 0.644 96 A CB -0.074 19.012 19.000 0.142 0.000 0.805 96 A HN 1.176 nan 8.150 nan 0.000 0.449 97 S N -1.282 114.322 115.700 -0.161 0.000 2.538 97 S HA 0.601 5.072 4.470 0.002 0.000 0.288 97 S C -0.991 173.462 174.600 -0.246 0.000 1.108 97 S CA -0.518 57.559 58.200 -0.205 0.000 0.971 97 S CB 2.104 65.173 63.200 -0.218 0.000 1.041 97 S HN 0.168 nan 8.310 nan 0.000 0.483 98 V N 3.734 123.521 119.914 -0.213 0.000 2.623 98 V HA 0.659 4.780 4.120 0.002 0.000 0.304 98 V C -0.763 175.256 176.094 -0.124 0.000 1.054 98 V CA -0.692 61.491 62.300 -0.194 0.000 0.882 98 V CB 1.880 33.588 31.823 -0.192 0.000 1.002 98 V HN 0.724 nan 8.190 nan 0.000 0.424 99 R N 2.217 122.672 120.500 -0.075 0.000 2.522 99 R HA 0.647 4.989 4.340 0.002 0.000 0.283 99 R C -0.990 175.495 176.300 0.308 0.000 1.074 99 R CA -0.392 55.730 56.100 0.036 0.000 0.925 99 R CB 2.089 32.287 30.300 -0.170 0.000 1.205 99 R HN 0.752 nan 8.270 nan 0.000 0.436 100 S N 2.327 118.263 115.700 0.393 0.000 2.561 100 S HA 0.445 4.916 4.470 0.002 0.000 0.303 100 S C 0.060 174.829 174.600 0.282 0.000 1.110 100 S CA -0.586 57.852 58.200 0.397 0.000 1.034 100 S CB 1.359 64.757 63.200 0.331 0.000 1.010 100 S HN 0.485 nan 8.310 nan 0.000 0.482 101 K N 2.652 123.010 120.400 -0.070 0.000 2.564 101 K HA 0.282 4.603 4.320 0.002 0.000 0.204 101 K C 1.306 177.869 176.600 -0.061 0.000 1.073 101 K CA 0.667 56.786 56.287 -0.280 0.000 1.137 101 K CB -0.424 31.579 32.500 -0.829 0.000 1.490 101 K HN 0.843 nan 8.250 nan 0.000 0.466 102 Q N 0.184 119.932 119.800 -0.085 0.000 2.875 102 Q HA 0.083 4.424 4.340 0.002 0.000 0.285 102 Q C 1.658 177.727 176.000 0.115 0.000 1.123 102 Q CA 0.587 56.383 55.803 -0.011 0.000 0.476 102 Q CB -0.699 28.011 28.738 -0.047 0.000 4.981 102 Q HN 0.270 nan 8.270 nan 0.000 0.362 103 D N 1.359 121.823 120.400 0.106 0.000 2.317 103 D HA -0.040 4.601 4.640 0.002 0.000 0.211 103 D C 0.028 176.506 176.300 0.297 0.000 0.966 103 D CA 0.561 54.714 54.000 0.256 0.000 0.876 103 D CB 0.211 41.087 40.800 0.128 0.000 0.927 103 D HN 0.170 nan 8.370 nan 0.000 0.519 104 K N 1.712 122.190 120.400 0.130 0.000 2.156 104 K HA 0.387 4.708 4.320 0.002 0.000 0.271 104 K C -0.379 176.301 176.600 0.133 0.000 0.995 104 K CA -0.638 55.697 56.287 0.081 0.000 0.890 104 K CB 1.638 34.141 32.500 0.005 0.000 1.073 104 K HN 0.097 nan 8.250 nan 0.000 0.454 105 I N 0.609 121.289 120.570 0.185 0.000 2.534 105 I HA 0.350 4.521 4.170 0.002 0.000 0.288 105 I C -1.506 174.816 176.117 0.342 0.000 1.077 105 I CA -1.439 60.023 61.300 0.270 0.000 1.051 105 I CB 1.703 39.745 38.000 0.070 0.000 1.234 105 I HN 0.528 nan 8.210 nan 0.000 0.425 106 L N 6.354 127.759 121.223 0.304 0.000 2.334 106 L HA 0.914 5.255 4.340 0.002 0.000 0.277 106 L C -0.184 176.661 176.870 -0.042 0.000 1.075 106 L CA 0.042 54.945 54.840 0.106 0.000 0.804 106 L CB 1.278 43.248 42.059 -0.149 0.000 1.174 106 L HN 0.932 nan 8.230 nan 0.000 0.438 107 A N 3.669 126.433 122.820 -0.093 0.000 2.572 107 A HA 0.840 5.162 4.320 0.002 0.000 0.295 107 A C -1.372 176.153 177.584 -0.099 0.000 1.072 107 A CA -0.503 51.357 52.037 -0.296 0.000 0.691 107 A CB 1.235 19.803 19.000 -0.720 0.000 1.291 107 A HN 0.760 nan 8.150 nan 0.000 0.404 108 c N -0.102 118.369 118.600 -0.216 0.000 3.090 108 c HA 0.879 5.451 4.570 0.002 0.000 0.305 108 c C 0.311 174.453 174.090 0.086 0.000 1.292 108 c CA -0.119 56.213 56.329 0.004 0.000 1.482 108 c CB 1.729 44.187 42.510 -0.087 0.000 1.897 108 c HN 1.462 nan 8.230 nan 0.000 0.469 109 A N 1.628 124.575 122.820 0.213 0.000 2.842 109 A HA 0.615 4.936 4.320 0.002 0.000 0.339 109 A C -2.150 175.524 177.584 0.151 0.000 1.177 109 A CA -0.938 51.255 52.037 0.260 0.000 0.797 109 A CB 0.020 19.236 19.000 0.361 0.000 1.094 109 A HN 0.640 nan 8.150 nan 0.000 0.474 110 P HA -0.101 nan 4.420 nan 0.000 0.223 110 P C 0.618 177.931 177.300 0.021 0.000 1.144 110 P CA 1.006 64.124 63.100 0.029 0.000 0.783 110 P CB 0.184 31.880 31.700 -0.007 0.000 0.771 111 L N -2.561 118.704 121.223 0.071 0.000 2.872 111 L HA 0.198 4.539 4.340 0.002 0.000 0.245 111 L C 0.308 177.234 176.870 0.092 0.000 1.211 111 L CA -0.851 54.006 54.840 0.027 0.000 1.013 111 L CB -0.403 41.678 42.059 0.037 0.000 1.326 111 L HN -0.021 nan 8.230 nan 0.000 0.525 112 Y N 0.680 120.973 120.300 -0.011 0.000 2.436 112 Y HA 0.206 4.757 4.550 0.002 0.000 0.336 112 Y C 0.080 175.957 175.900 -0.038 0.000 1.049 112 Y CA -0.259 57.867 58.100 0.042 0.000 1.294 112 Y CB 0.168 38.638 38.460 0.017 0.000 1.179 112 Y HN 0.145 nan 8.280 nan 0.000 0.520 113 H N 4.837 123.668 119.070 -0.399 0.000 2.483 113 H HA 0.361 4.918 4.556 0.002 0.000 0.338 113 H C -1.592 173.529 175.328 -0.346 0.000 1.152 113 H CA -0.072 55.797 56.048 -0.297 0.000 1.264 113 H CB 0.915 30.621 29.762 -0.093 0.000 1.510 113 H HN 0.821 nan 8.280 nan 0.000 0.530 114 W N 3.801 124.974 121.300 -0.212 0.000 3.211 114 W HA 0.305 4.966 4.660 0.002 0.000 0.335 114 W C -1.254 175.239 176.519 -0.043 0.000 1.113 114 W CA -0.999 56.235 57.345 -0.186 0.000 1.235 114 W CB 1.020 30.323 29.460 -0.262 0.000 1.365 114 W HN 0.429 nan 8.180 nan 0.000 0.476 115 R N 4.777 125.083 120.500 -0.324 0.000 2.296 115 R HA 0.213 4.554 4.340 0.002 0.000 0.323 115 R C 0.453 176.043 176.300 -1.183 0.000 1.067 115 R CA 0.411 56.217 56.100 -0.490 0.000 0.946 115 R CB 0.532 30.675 30.300 -0.263 0.000 0.991 115 R HN 0.682 nan 8.270 nan 0.000 0.448 116 T N 1.213 115.113 114.554 -1.090 0.000 2.856 116 T HA -0.016 4.336 4.350 0.002 0.000 0.329 116 T C 1.063 175.228 174.700 -0.893 0.000 1.094 116 T CA -0.384 60.955 62.100 -1.268 0.000 1.112 116 T CB 0.673 69.139 68.868 -0.671 0.000 1.009 116 T HN 0.602 nan 8.240 nan 0.000 0.550 117 E N 0.910 120.753 120.200 -0.596 0.000 2.409 117 E HA -0.063 4.288 4.350 0.002 0.000 0.198 117 E C 1.185 177.639 176.600 -0.243 0.000 1.024 117 E CA 0.843 57.084 56.400 -0.265 0.000 0.861 117 E CB -0.172 29.576 29.700 0.080 0.000 0.788 117 E HN 0.647 nan 8.360 nan 0.000 0.521 118 M N -0.168 119.269 119.600 -0.272 0.000 2.247 118 M HA 0.132 4.613 4.480 0.002 0.000 0.191 118 M C 1.206 177.382 176.300 -0.207 0.000 1.331 118 M CA 0.751 55.953 55.300 -0.162 0.000 1.215 118 M CB -0.386 32.152 32.600 -0.103 0.000 0.979 118 M HN -0.304 nan 8.290 nan 0.000 0.451 119 K N 0.482 120.768 120.400 -0.190 0.000 2.098 119 K HA 0.142 4.463 4.320 0.002 0.000 0.244 119 K C -0.290 176.177 176.600 -0.222 0.000 1.014 119 K CA -0.563 55.629 56.287 -0.159 0.000 0.917 119 K CB 0.614 33.056 32.500 -0.096 0.000 1.072 119 K HN 0.064 nan 8.250 nan 0.000 0.477 120 Q N 2.695 122.403 119.800 -0.153 0.000 2.301 120 Q HA -0.011 4.330 4.340 0.002 0.000 0.262 120 Q C -0.828 175.089 176.000 -0.138 0.000 1.168 120 Q CA 0.842 56.560 55.803 -0.142 0.000 0.908 120 Q CB 0.639 29.334 28.738 -0.071 0.000 1.348 120 Q HN 0.483 nan 8.270 nan 0.000 0.441 121 E N 2.253 122.341 120.200 -0.187 0.000 2.678 121 E HA 0.581 4.932 4.350 0.002 0.000 0.204 121 E C -0.724 175.783 176.600 -0.155 0.000 0.743 121 E CA -0.565 55.733 56.400 -0.171 0.000 1.082 121 E CB 0.876 30.433 29.700 -0.239 0.000 1.721 121 E HN 0.368 nan 8.360 nan 0.000 0.390 122 R N 0.198 120.605 120.500 -0.155 0.000 2.397 122 R HA 0.085 4.426 4.340 0.002 0.000 0.162 122 R C -1.621 174.670 176.300 -0.015 0.000 1.228 122 R CA 0.075 56.081 56.100 -0.158 0.000 0.770 122 R CB -0.410 29.637 30.300 -0.423 0.000 1.357 122 R HN 0.330 nan 8.270 nan 0.000 0.473 123 E N 2.900 123.044 120.200 -0.094 0.000 2.174 123 E HA 0.225 4.576 4.350 0.002 0.000 0.282 123 E C -2.169 174.229 176.600 -0.337 0.000 0.992 123 E CA -2.126 54.053 56.400 -0.369 0.000 0.803 123 E CB 1.315 30.689 29.700 -0.543 0.000 1.090 123 E HN 0.170 nan 8.360 nan 0.000 0.396 124 P HA -0.038 nan 4.420 nan 0.000 0.244 124 P C 0.505 177.567 177.300 -0.396 0.000 1.723 124 P CA 0.270 62.918 63.100 -0.753 0.000 1.110 124 P CB 0.269 31.559 31.700 -0.683 0.000 1.972 125 V N 2.040 121.796 119.914 -0.264 0.000 3.041 125 V HA 0.119 4.240 4.120 0.002 0.000 0.260 125 V C 1.130 177.158 176.094 -0.109 0.000 1.105 125 V CA 1.705 63.902 62.300 -0.171 0.000 1.125 125 V CB -1.236 30.523 31.823 -0.107 0.000 0.730 125 V HN 0.756 nan 8.190 nan 0.000 0.479 126 G N 0.395 109.209 108.800 0.023 0.000 2.825 126 G HA2 -0.142 3.819 3.960 0.002 0.000 0.686 126 G HA3 -0.142 3.819 3.960 0.002 0.000 0.686 126 G C -0.186 174.684 174.900 -0.049 0.000 1.362 126 G CA 0.218 45.355 45.100 0.063 0.000 0.975 126 G HN 0.742 nan 8.290 nan 0.000 0.594 127 T N 1.105 115.551 114.554 -0.180 0.000 2.864 127 T HA 0.726 5.077 4.350 0.002 0.000 0.299 127 T C 0.058 174.529 174.700 -0.381 0.000 1.166 127 T CA 0.281 62.109 62.100 -0.452 0.000 1.007 127 T CB 1.399 69.723 68.868 -0.906 0.000 1.219 127 T HN 1.379 nan 8.240 nan 0.000 0.506 128 c N 1.337 119.656 118.600 -0.469 0.000 3.108 128 c HA 0.882 5.453 4.570 0.002 0.000 0.321 128 c C -1.439 172.315 174.090 -0.560 0.000 1.357 128 c CA -0.811 55.343 56.329 -0.291 0.000 1.562 128 c CB 1.083 43.531 42.510 -0.103 0.000 2.003 128 c HN 0.872 nan 8.230 nan 0.000 0.460 129 F N 1.065 121.035 119.950 0.033 0.000 2.574 129 F HA 0.593 5.121 4.527 0.002 0.000 0.313 129 F C -0.609 175.329 175.800 0.230 0.000 1.130 129 F CA -0.602 57.458 58.000 0.099 0.000 0.936 129 F CB 1.482 40.579 39.000 0.162 0.000 1.219 129 F HN 0.192 nan 8.300 nan 0.000 0.445 130 L N 4.168 125.606 121.223 0.359 0.000 2.316 130 L HA 0.485 4.826 4.340 0.002 0.000 0.280 130 L C -0.574 176.426 176.870 0.216 0.000 1.006 130 L CA -0.340 54.667 54.840 0.278 0.000 0.836 130 L CB 1.280 43.406 42.059 0.112 0.000 1.221 130 L HN 0.719 nan 8.230 nan 0.000 0.418 131 Q N 2.705 122.637 119.800 0.219 0.000 2.204 131 Q HA 0.436 4.777 4.340 0.002 0.000 0.254 131 Q C -1.117 174.877 176.000 -0.010 0.000 0.981 131 Q CA -0.450 55.327 55.803 -0.043 0.000 0.897 131 Q CB 1.430 29.910 28.738 -0.430 0.000 1.273 131 Q HN 0.596 nan 8.270 nan 0.000 0.464 132 D N 1.468 121.842 120.400 -0.043 0.000 2.934 132 D HA 0.214 4.855 4.640 0.002 0.000 0.249 132 D C 0.368 176.666 176.300 -0.004 0.000 1.293 132 D CA 0.790 54.793 54.000 0.005 0.000 0.812 132 D CB 0.112 40.922 40.800 0.017 0.000 1.439 132 D HN 0.824 nan 8.370 nan 0.000 0.555 133 G N 2.085 110.880 108.800 -0.009 0.000 4.148 133 G HA2 -0.449 3.512 3.960 0.002 0.000 0.221 133 G HA3 -0.449 3.512 3.960 0.002 0.000 0.221 133 G C 0.976 175.843 174.900 -0.055 0.000 1.373 133 G CA 1.735 46.833 45.100 -0.004 0.000 0.940 133 G HN 0.649 nan 8.290 nan 0.000 0.610 134 T N -2.019 112.505 114.554 -0.050 0.000 3.313 134 T HA 0.445 4.796 4.350 0.002 0.000 0.266 134 T C 0.790 175.453 174.700 -0.061 0.000 0.987 134 T CA 1.003 63.067 62.100 -0.060 0.000 1.086 134 T CB 0.291 69.141 68.868 -0.031 0.000 1.159 134 T HN 0.607 nan 8.240 nan 0.000 0.450 135 K N 3.263 123.644 120.400 -0.032 0.000 2.451 135 K HA 0.373 4.694 4.320 0.002 0.000 0.280 135 K C -1.117 175.463 176.600 -0.033 0.000 1.020 135 K CA 0.589 56.870 56.287 -0.012 0.000 1.008 135 K CB -0.099 32.409 32.500 0.013 0.000 0.917 135 K HN 0.353 nan 8.250 nan 0.000 0.478 136 T N 4.058 118.598 114.554 -0.023 0.000 3.143 136 T HA 0.395 4.746 4.350 0.002 0.000 0.312 136 T C -1.086 173.578 174.700 -0.060 0.000 0.986 136 T CA -0.793 61.283 62.100 -0.040 0.000 1.024 136 T CB 0.852 69.658 68.868 -0.104 0.000 1.030 136 T HN 0.472 nan 8.240 nan 0.000 0.448 137 V N 0.593 120.425 119.914 -0.137 0.000 2.881 137 V HA 0.804 4.925 4.120 0.002 0.000 0.316 137 V C -0.347 175.496 176.094 -0.419 0.000 1.070 137 V CA -1.071 60.879 62.300 -0.584 0.000 0.976 137 V CB 2.038 33.620 31.823 -0.402 0.000 1.038 137 V HN 0.912 nan 8.190 nan 0.000 0.446 138 E N 2.016 121.757 120.200 -0.764 0.000 2.156 138 E HA 0.369 4.720 4.350 0.002 0.000 0.279 138 E C -1.995 174.468 176.600 -0.229 0.000 0.965 138 E CA -0.758 55.363 56.400 -0.464 0.000 0.789 138 E CB 1.383 30.807 29.700 -0.460 0.000 1.098 138 E HN 0.803 nan 8.360 nan 0.000 0.397 139 Y N 3.687 123.771 120.300 -0.359 0.000 2.369 139 Y HA 0.555 5.107 4.550 0.002 0.000 0.337 139 Y C -0.925 174.806 175.900 -0.280 0.000 0.961 139 Y CA -1.192 56.770 58.100 -0.230 0.000 1.186 139 Y CB 1.438 39.763 38.460 -0.225 0.000 1.139 139 Y HN 0.530 nan 8.280 nan 0.000 0.494 140 A N 9.038 131.598 122.820 -0.433 0.000 3.355 140 A HA 0.369 4.690 4.320 0.002 0.000 0.290 140 A C -2.047 175.257 177.584 -0.468 0.000 0.973 140 A CA -1.068 50.671 52.037 -0.497 0.000 0.933 140 A CB 0.056 18.807 19.000 -0.414 0.000 1.138 140 A HN 0.602 nan 8.150 nan 0.000 0.490 141 P HA -0.139 nan 4.420 nan 0.000 0.222 141 P C 1.112 178.242 177.300 -0.284 0.000 1.142 141 P CA 1.132 63.972 63.100 -0.433 0.000 0.788 141 P CB 0.024 31.367 31.700 -0.596 0.000 0.767 142 c N -1.324 117.083 118.600 -0.321 0.000 2.735 142 c HA 0.188 4.759 4.570 0.002 0.000 0.271 142 c C 1.672 175.591 174.090 -0.285 0.000 1.281 142 c CA -0.512 55.660 56.329 -0.263 0.000 1.719 142 c CB -1.390 40.963 42.510 -0.261 0.000 2.024 142 c HN 0.180 nan 8.230 nan 0.000 0.566 143 R N 1.997 122.256 120.500 -0.402 0.000 2.351 143 R HA 0.259 4.600 4.340 0.002 0.000 0.321 143 R C 0.004 176.001 176.300 -0.505 0.000 1.182 143 R CA 0.367 56.029 56.100 -0.730 0.000 1.011 143 R CB 0.012 29.791 30.300 -0.868 0.000 1.048 143 R HN 0.631 nan 8.270 nan 0.000 0.490 144 S N 1.626 117.161 115.700 -0.275 0.000 2.720 144 S HA 0.140 4.611 4.470 0.002 0.000 0.287 144 S C 0.390 175.103 174.600 0.189 0.000 1.168 144 S CA -0.965 57.222 58.200 -0.020 0.000 0.832 144 S CB 1.690 64.883 63.200 -0.012 0.000 1.166 144 S HN 0.479 nan 8.310 nan 0.000 0.493 145 Q N 0.690 120.580 119.800 0.150 0.000 2.291 145 Q HA 0.105 4.446 4.340 0.002 0.000 0.206 145 Q C -0.119 175.957 176.000 0.125 0.000 0.976 145 Q CA 1.343 57.240 55.803 0.156 0.000 0.875 145 Q CB -0.276 28.525 28.738 0.104 0.000 0.927 145 Q HN 0.710 nan 8.270 nan 0.000 0.450 146 D N 0.347 120.811 120.400 0.107 0.000 2.402 146 D HA 0.142 4.783 4.640 0.002 0.000 0.235 146 D C -0.093 176.265 176.300 0.096 0.000 1.226 146 D CA -0.181 53.872 54.000 0.089 0.000 0.918 146 D CB -0.175 40.675 40.800 0.083 0.000 1.043 146 D HN 0.271 nan 8.370 nan 0.000 0.506 147 I N -0.951 119.669 120.570 0.084 0.000 3.861 147 I HA 0.639 4.810 4.170 0.002 0.000 0.262 147 I C -0.245 175.887 176.117 0.025 0.000 1.269 147 I CA -0.956 60.385 61.300 0.068 0.000 1.140 147 I CB 0.850 38.876 38.000 0.043 0.000 1.424 147 I HN 0.071 nan 8.210 nan 0.000 0.527 148 D N -0.264 120.145 120.400 0.014 0.000 10.448 148 D HA -0.173 4.468 4.640 0.002 0.000 0.360 148 D C -0.108 176.218 176.300 0.043 0.000 3.024 148 D CA 1.171 55.205 54.000 0.057 0.000 2.424 148 D CB -0.226 40.598 40.800 0.039 0.000 1.149 148 D HN 0.999 nan 8.370 nan 0.000 1.024 149 A N 0.610 123.461 122.820 0.051 0.000 2.604 149 A HA 0.209 4.530 4.320 0.002 0.000 0.248 149 A C 1.029 178.107 177.584 -0.843 0.000 1.466 149 A CA 1.249 53.093 52.037 -0.323 0.000 1.222 149 A CB -0.298 18.434 19.000 -0.446 0.000 0.945 149 A HN 0.455 nan 8.150 nan 0.000 0.600 150 D N -1.749 118.401 120.400 -0.416 0.000 2.218 150 D HA 0.188 4.829 4.640 0.002 0.000 0.307 150 D C 1.160 177.477 176.300 0.028 0.000 1.086 150 D CA 1.132 54.958 54.000 -0.290 0.000 0.886 150 D CB 0.047 40.799 40.800 -0.081 0.000 1.645 150 D HN 0.304 nan 8.370 nan 0.000 0.523 151 G N -0.063 108.749 108.800 0.020 0.000 2.945 151 G HA2 0.272 4.233 3.960 0.002 0.000 0.156 151 G HA3 0.272 4.233 3.960 0.002 0.000 0.156 151 G C -0.060 174.795 174.900 -0.076 0.000 1.375 151 G CA -0.309 44.873 45.100 0.136 0.000 1.039 151 G HN 0.136 nan 8.290 nan 0.000 0.586 152 Q N 0.474 120.209 119.800 -0.108 0.000 2.244 152 Q HA 0.232 4.573 4.340 0.002 0.000 0.239 152 Q C 1.768 177.654 176.000 -0.190 0.000 0.890 152 Q CA 0.119 55.770 55.803 -0.253 0.000 0.964 152 Q CB 0.669 29.283 28.738 -0.208 0.000 1.076 152 Q HN 0.536 nan 8.270 nan 0.000 0.447 153 G N 0.491 109.206 108.800 -0.142 0.000 2.418 153 G HA2 -0.190 3.771 3.960 0.002 0.000 0.217 153 G HA3 -0.190 3.771 3.960 0.002 0.000 0.217 153 G C 0.553 175.174 174.900 -0.465 0.000 1.158 153 G CA 0.460 45.443 45.100 -0.195 0.000 0.771 153 G HN 0.344 nan 8.290 nan 0.000 0.545 154 F N 0.022 119.780 119.950 -0.319 0.000 2.772 154 F HA 0.275 4.803 4.527 0.002 0.000 0.302 154 F C 2.038 177.603 175.800 -0.391 0.000 1.136 154 F CA -1.218 56.590 58.000 -0.321 0.000 1.322 154 F CB -0.205 38.575 39.000 -0.367 0.000 0.967 154 F HN 0.197 nan 8.300 nan 0.000 0.513 155 c N 0.634 119.064 118.600 -0.282 0.000 2.413 155 c HA -0.203 4.368 4.570 0.002 0.000 0.277 155 c C 1.849 175.792 174.090 -0.245 0.000 1.265 155 c CA 1.339 57.477 56.329 -0.318 0.000 1.752 155 c CB -0.962 41.352 42.510 -0.327 0.000 1.998 155 c HN 0.732 nan 8.230 nan 0.000 0.489 156 Q N 0.137 119.820 119.800 -0.194 0.000 2.457 156 Q HA -0.172 4.169 4.340 0.002 0.000 0.283 156 Q C 0.504 176.441 176.000 -0.106 0.000 1.234 156 Q CA 0.210 55.935 55.803 -0.129 0.000 0.877 156 Q CB -1.890 26.786 28.738 -0.103 0.000 1.250 156 Q HN 0.940 nan 8.270 nan 0.000 0.481 157 G N -0.977 107.727 108.800 -0.160 0.000 2.484 157 G HA2 0.330 4.291 3.960 0.002 0.000 0.235 157 G HA3 0.330 4.291 3.960 0.002 0.000 0.235 157 G C 1.114 175.935 174.900 -0.131 0.000 1.282 157 G CA 0.429 45.429 45.100 -0.168 0.000 0.857 157 G HN 0.852 nan 8.290 nan 0.000 0.571 158 G N 0.959 109.692 108.800 -0.112 0.000 2.195 158 G HA2 -0.283 3.678 3.960 0.002 0.000 0.224 158 G HA3 -0.283 3.678 3.960 0.002 0.000 0.224 158 G C 1.087 175.935 174.900 -0.088 0.000 0.990 158 G CA 0.759 45.792 45.100 -0.112 0.000 0.639 158 G HN 0.843 nan 8.290 nan 0.000 0.514 159 F N 2.766 122.602 119.950 -0.189 0.000 2.192 159 F HA 0.166 4.694 4.527 0.002 0.000 0.301 159 F C 1.530 177.206 175.800 -0.206 0.000 1.079 159 F CA 2.420 60.292 58.000 -0.213 0.000 1.303 159 F CB 0.152 38.988 39.000 -0.273 0.000 1.024 159 F HN 0.655 nan 8.300 nan 0.000 0.494 160 S N 0.192 115.851 115.700 -0.068 0.000 2.546 160 S HA 0.659 5.130 4.470 0.002 0.000 0.272 160 S C -0.816 173.706 174.600 -0.130 0.000 1.140 160 S CA -0.623 57.502 58.200 -0.126 0.000 0.920 160 S CB 1.801 64.973 63.200 -0.046 0.000 1.083 160 S HN 0.313 nan 8.310 nan 0.000 0.476 161 I N -1.111 119.361 120.570 -0.165 0.000 3.191 161 I HA 0.884 5.055 4.170 0.002 0.000 0.313 161 I C -1.687 174.310 176.117 -0.200 0.000 1.193 161 I CA -0.815 60.368 61.300 -0.195 0.000 0.968 161 I CB 2.394 40.249 38.000 -0.243 0.000 1.262 161 I HN 0.601 nan 8.210 nan 0.000 0.456 162 D N 0.801 121.054 120.400 -0.246 0.000 2.720 162 D HA 0.460 5.102 4.640 0.002 0.000 0.239 162 D C -1.933 174.248 176.300 -0.199 0.000 1.218 162 D CA -0.225 53.665 54.000 -0.182 0.000 0.748 162 D CB 2.366 43.141 40.800 -0.042 0.000 1.387 162 D HN 0.460 nan 8.370 nan 0.000 0.438 163 F N 0.936 120.899 119.950 0.021 0.000 2.421 163 F HA 0.369 4.897 4.527 0.002 0.000 0.337 163 F C 1.411 177.249 175.800 0.063 0.000 1.105 163 F CA -0.518 57.500 58.000 0.029 0.000 1.049 163 F CB 1.770 40.787 39.000 0.028 0.000 1.139 163 F HN 0.069 nan 8.300 nan 0.000 0.479 164 T N -0.805 113.923 114.554 0.291 0.000 2.874 164 T HA 0.196 4.547 4.350 0.002 0.000 0.281 164 T C 1.202 175.998 174.700 0.160 0.000 0.994 164 T CA -0.824 61.408 62.100 0.220 0.000 1.015 164 T CB 1.519 70.525 68.868 0.230 0.000 1.028 164 T HN 0.757 nan 8.240 nan 0.000 0.523 165 K N 0.762 121.231 120.400 0.115 0.000 2.044 165 K HA -0.106 4.215 4.320 0.002 0.000 0.210 165 K C 1.373 178.001 176.600 0.047 0.000 1.049 165 K CA 1.484 57.812 56.287 0.068 0.000 0.927 165 K CB -0.708 31.824 32.500 0.052 0.000 0.713 165 K HN 0.785 nan 8.250 nan 0.000 0.443 166 A N 2.169 125.023 122.820 0.057 0.000 3.168 166 A HA 0.137 4.458 4.320 0.002 0.000 0.260 166 A C -1.034 176.581 177.584 0.051 0.000 1.598 166 A CA -0.351 51.711 52.037 0.041 0.000 1.285 166 A CB -0.307 18.718 19.000 0.042 0.000 1.149 166 A HN 0.476 nan 8.150 nan 0.000 0.630 167 D N 0.583 121.004 120.400 0.035 0.000 3.651 167 D HA -0.181 4.460 4.640 0.002 0.000 0.191 167 D C 0.253 176.607 176.300 0.089 0.000 1.196 167 D CA 1.622 55.644 54.000 0.037 0.000 0.897 167 D CB -0.444 40.338 40.800 -0.031 0.000 0.872 167 D HN 0.716 nan 8.370 nan 0.000 0.441 168 R N 0.525 121.122 120.500 0.163 0.000 2.643 168 R HA 0.569 4.910 4.340 0.002 0.000 0.269 168 R C -1.312 175.084 176.300 0.160 0.000 1.037 168 R CA -0.989 55.190 56.100 0.132 0.000 0.894 168 R CB 1.677 32.068 30.300 0.153 0.000 1.238 168 R HN 0.091 nan 8.270 nan 0.000 0.459 169 V N 2.633 122.560 119.914 0.021 0.000 2.459 169 V HA 0.563 4.684 4.120 0.002 0.000 0.295 169 V C -0.799 175.199 176.094 -0.161 0.000 1.029 169 V CA -0.777 61.469 62.300 -0.091 0.000 0.874 169 V CB 1.572 33.257 31.823 -0.230 0.000 0.985 169 V HN 0.686 nan 8.190 nan 0.000 0.438 170 L N 6.299 127.405 121.223 -0.195 0.000 2.272 170 L HA 0.638 4.979 4.340 0.002 0.000 0.289 170 L C -0.703 176.023 176.870 -0.240 0.000 1.032 170 L CA -0.548 54.097 54.840 -0.325 0.000 0.810 170 L CB 1.341 43.239 42.059 -0.267 0.000 1.205 170 L HN 0.878 nan 8.230 nan 0.000 0.422 171 L N 4.261 125.344 121.223 -0.233 0.000 2.354 171 L HA 0.896 5.237 4.340 0.002 0.000 0.264 171 L C -0.494 176.271 176.870 -0.175 0.000 1.008 171 L CA -0.278 54.459 54.840 -0.173 0.000 0.819 171 L CB 2.150 44.136 42.059 -0.121 0.000 1.339 171 L HN 0.583 nan 8.230 nan 0.000 0.420 172 G N 1.037 109.758 108.800 -0.132 0.000 2.571 172 G HA2 0.658 4.620 3.960 0.002 0.000 0.304 172 G HA3 0.658 4.620 3.960 0.002 0.000 0.304 172 G C -1.255 173.587 174.900 -0.098 0.000 1.314 172 G CA -0.521 44.515 45.100 -0.107 0.000 0.975 172 G HN 0.894 nan 8.290 nan 0.000 0.485 173 G N 0.955 109.675 108.800 -0.133 0.000 2.704 173 G HA2 0.550 4.511 3.960 0.002 0.000 0.280 173 G HA3 0.550 4.511 3.960 0.002 0.000 0.280 173 G C -2.183 172.586 174.900 -0.219 0.000 1.499 173 G CA -1.052 43.941 45.100 -0.177 0.000 1.146 173 G HN 0.281 nan 8.290 nan 0.000 0.558 174 P HA -0.033 nan 4.420 nan 0.000 0.215 174 P C 1.993 179.177 177.300 -0.193 0.000 1.157 174 P CA 1.391 64.337 63.100 -0.258 0.000 0.863 174 P CB 0.410 31.768 31.700 -0.570 0.000 0.787 175 G N -0.892 107.719 108.800 -0.314 0.000 2.882 175 G HA2 -0.065 3.896 3.960 0.002 0.000 0.206 175 G HA3 -0.065 3.896 3.960 0.002 0.000 0.206 175 G C 0.413 174.874 174.900 -0.732 0.000 1.155 175 G CA 0.018 44.755 45.100 -0.606 0.000 0.800 175 G HN 0.186 nan 8.290 nan 0.000 0.524 176 S N 0.150 115.477 115.700 -0.621 0.000 2.558 176 S HA 0.383 4.854 4.470 0.002 0.000 0.288 176 S C 0.662 174.683 174.600 -0.965 0.000 1.318 176 S CA -0.150 57.453 58.200 -0.995 0.000 1.056 176 S CB 0.168 62.536 63.200 -1.386 0.000 0.853 176 S HN 0.446 nan 8.310 nan 0.000 0.505 177 F N -0.224 119.584 119.950 -0.235 0.000 2.185 177 F HA -0.324 4.204 4.527 0.002 0.000 0.318 177 F C 0.194 175.777 175.800 -0.362 0.000 1.440 177 F CA 0.709 58.584 58.000 -0.209 0.000 0.920 177 F CB -0.899 38.084 39.000 -0.027 0.000 4.125 177 F HN 0.524 nan 8.300 nan 0.000 0.137 178 Y N 1.817 122.211 120.300 0.156 0.000 2.723 178 Y HA 0.247 4.798 4.550 0.002 0.000 0.374 178 Y C -0.554 175.602 175.900 0.427 0.000 1.062 178 Y CA -0.770 57.431 58.100 0.167 0.000 1.321 178 Y CB -0.227 38.415 38.460 0.303 0.000 1.405 178 Y HN 0.391 nan 8.280 nan 0.000 0.583 179 W N 0.318 121.756 121.300 0.231 0.000 3.750 179 W HA -0.335 4.326 4.660 0.002 0.000 0.329 179 W C 0.950 177.643 176.519 0.290 0.000 1.247 179 W CA 0.730 58.228 57.345 0.256 0.000 0.698 179 W CB -1.607 28.071 29.460 0.364 0.000 2.324 179 W HN 0.491 nan 8.180 nan 0.000 1.357 180 Q N 0.254 120.273 119.800 0.365 0.000 2.020 180 Q HA 0.204 4.545 4.340 0.002 0.000 0.198 180 Q C 1.552 177.732 176.000 0.301 0.000 0.974 180 Q CA 1.894 57.928 55.803 0.385 0.000 0.829 180 Q CB 0.010 29.041 28.738 0.489 0.000 0.894 180 Q HN 0.322 nan 8.270 nan 0.000 0.433 181 G N 0.441 109.335 108.800 0.156 0.000 2.440 181 G HA2 -0.048 3.913 3.960 0.002 0.000 0.684 181 G HA3 -0.048 3.913 3.960 0.002 0.000 0.684 181 G C -1.565 173.345 174.900 0.016 0.000 1.309 181 G CA -0.391 44.743 45.100 0.055 0.000 0.931 181 G HN 0.172 nan 8.290 nan 0.000 0.612 182 Q N -1.033 118.735 119.800 -0.053 0.000 2.438 182 Q HA 0.618 4.959 4.340 0.002 0.000 0.272 182 Q C -1.693 174.247 176.000 -0.100 0.000 0.994 182 Q CA -0.905 54.865 55.803 -0.055 0.000 0.887 182 Q CB 1.710 30.348 28.738 -0.166 0.000 1.432 182 Q HN 0.767 nan 8.270 nan 0.000 0.392 183 L N 4.848 125.994 121.223 -0.127 0.000 2.333 183 L HA 0.639 4.980 4.340 0.002 0.000 0.280 183 L C -0.826 175.906 176.870 -0.228 0.000 1.004 183 L CA -0.801 53.912 54.840 -0.212 0.000 0.820 183 L CB 1.656 43.537 42.059 -0.296 0.000 1.247 183 L HN 0.611 nan 8.230 nan 0.000 0.416 184 I N 2.096 122.523 120.570 -0.239 0.000 2.468 184 I HA 0.220 4.391 4.170 0.002 0.000 0.284 184 I C -0.278 175.709 176.117 -0.216 0.000 1.038 184 I CA -0.149 61.038 61.300 -0.187 0.000 1.083 184 I CB 2.059 39.980 38.000 -0.131 0.000 1.223 184 I HN 0.437 nan 8.210 nan 0.000 0.443 185 S N 4.902 120.452 115.700 -0.250 0.000 2.433 185 S HA 0.405 4.876 4.470 0.002 0.000 0.310 185 S C -0.851 173.714 174.600 -0.057 0.000 1.097 185 S CA -0.507 57.554 58.200 -0.232 0.000 1.103 185 S CB 0.662 63.609 63.200 -0.421 0.000 0.992 185 S HN 0.475 nan 8.310 nan 0.000 0.469 186 D N 2.790 123.143 120.400 -0.078 0.000 2.481 186 D HA 0.247 4.888 4.640 0.002 0.000 0.244 186 D C -0.415 175.810 176.300 -0.126 0.000 1.057 186 D CA -0.411 53.520 54.000 -0.115 0.000 0.848 186 D CB 1.865 42.493 40.800 -0.286 0.000 1.388 186 D HN 0.665 nan 8.370 nan 0.000 0.475 187 Q N 0.379 120.144 119.800 -0.058 0.000 2.373 187 Q HA 0.215 4.556 4.340 0.002 0.000 0.255 187 Q C 0.957 176.907 176.000 -0.082 0.000 0.980 187 Q CA -0.644 55.144 55.803 -0.024 0.000 0.882 187 Q CB 1.188 29.940 28.738 0.022 0.000 1.249 187 Q HN 0.129 nan 8.270 nan 0.000 0.438 188 V N 2.223 122.112 119.914 -0.041 0.000 2.220 188 V HA -0.353 3.768 4.120 0.002 0.000 0.246 188 V C 2.305 178.375 176.094 -0.040 0.000 1.049 188 V CA 2.654 64.924 62.300 -0.052 0.000 1.003 188 V CB -1.372 30.452 31.823 0.003 0.000 0.634 188 V HN 1.023 nan 8.190 nan 0.000 0.444 189 A N -0.413 122.405 122.820 -0.003 0.000 2.076 189 A HA -0.283 4.038 4.320 0.002 0.000 0.220 189 A C 2.163 179.778 177.584 0.051 0.000 1.160 189 A CA 2.145 54.196 52.037 0.022 0.000 0.653 189 A CB -0.555 18.459 19.000 0.023 0.000 0.801 189 A HN 0.682 nan 8.150 nan 0.000 0.455 190 E N 0.244 120.476 120.200 0.053 0.000 2.047 190 E HA -0.108 4.243 4.350 0.002 0.000 0.191 190 E C 1.659 178.399 176.600 0.234 0.000 0.987 190 E CA 1.322 57.803 56.400 0.135 0.000 0.799 190 E CB -0.338 29.441 29.700 0.132 0.000 0.752 190 E HN 0.637 nan 8.360 nan 0.000 0.449 191 I N -0.083 120.514 120.570 0.045 0.000 2.454 191 I HA -0.223 3.948 4.170 0.002 0.000 0.254 191 I C 1.940 178.158 176.117 0.168 0.000 1.156 191 I CA 0.556 61.855 61.300 -0.003 0.000 1.433 191 I CB -0.035 37.666 38.000 -0.497 0.000 1.082 191 I HN 0.085 nan 8.210 nan 0.000 0.432 192 V N 0.098 120.075 119.914 0.105 0.000 2.374 192 V HA -0.165 3.956 4.120 0.002 0.000 0.241 192 V C 2.584 178.779 176.094 0.167 0.000 1.034 192 V CA 1.751 64.123 62.300 0.121 0.000 1.037 192 V CB -0.485 31.378 31.823 0.066 0.000 0.682 192 V HN 0.553 nan 8.190 nan 0.000 0.463 193 S N 0.129 115.908 115.700 0.132 0.000 2.399 193 S HA -0.182 4.289 4.470 0.002 0.000 0.231 193 S C 1.762 176.424 174.600 0.104 0.000 1.022 193 S CA 1.102 59.365 58.200 0.106 0.000 0.983 193 S CB -0.284 62.962 63.200 0.077 0.000 0.803 193 S HN 0.440 nan 8.310 nan 0.000 0.480 194 K N 0.474 120.961 120.400 0.145 0.000 2.404 194 K HA 0.216 4.537 4.320 0.002 0.000 0.194 194 K C 0.022 176.661 176.600 0.065 0.000 1.023 194 K CA -0.325 55.991 56.287 0.048 0.000 1.094 194 K CB -0.565 31.895 32.500 -0.067 0.000 0.841 194 K HN 0.695 nan 8.250 nan 0.000 0.523 195 Y N 2.194 122.528 120.300 0.057 0.000 2.620 195 Y HA -0.046 4.505 4.550 0.002 0.000 0.330 195 Y C -0.311 175.591 175.900 0.004 0.000 1.186 195 Y CA 0.087 58.219 58.100 0.053 0.000 1.467 195 Y CB 0.504 39.016 38.460 0.087 0.000 1.262 195 Y HN -0.048 nan 8.280 nan 0.000 0.550 196 D N 8.873 128.873 120.400 -0.667 0.000 2.375 196 D HA 0.192 4.833 4.640 0.002 0.000 0.241 196 D C -2.111 173.758 176.300 -0.718 0.000 1.361 196 D CA -2.171 51.474 54.000 -0.592 0.000 0.995 196 D CB 1.558 42.180 40.800 -0.296 0.000 1.312 196 D HN 0.300 nan 8.370 nan 0.000 0.576 197 P HA -0.107 nan 4.420 nan 0.000 0.231 197 P C 0.219 177.375 177.300 -0.241 0.000 1.154 197 P CA 0.617 63.462 63.100 -0.424 0.000 0.762 197 P CB 0.406 31.971 31.700 -0.225 0.000 0.790 198 N N -0.657 117.868 118.700 -0.291 0.000 2.203 198 N HA 0.106 4.847 4.740 0.002 0.000 0.207 198 N C -0.232 175.046 175.510 -0.387 0.000 1.130 198 N CA 0.106 52.975 53.050 -0.301 0.000 0.861 198 N CB 1.362 39.719 38.487 -0.217 0.000 1.005 198 N HN 0.065 nan 8.380 nan 0.000 0.507 199 V N 1.599 121.314 119.914 -0.332 0.000 2.487 199 V HA 0.249 4.370 4.120 0.002 0.000 0.298 199 V C 0.049 176.047 176.094 -0.159 0.000 1.028 199 V CA -0.615 61.526 62.300 -0.266 0.000 0.860 199 V CB 1.400 33.122 31.823 -0.169 0.000 0.991 199 V HN 0.061 nan 8.190 nan 0.000 0.427 200 Y N 1.228 121.531 120.300 0.005 0.000 2.517 200 Y HA 0.180 4.732 4.550 0.002 0.000 0.281 200 Y C 1.281 177.129 175.900 -0.087 0.000 1.125 200 Y CA -0.244 57.849 58.100 -0.011 0.000 1.283 200 Y CB 0.411 38.923 38.460 0.087 0.000 1.042 200 Y HN 0.542 nan 8.280 nan 0.000 0.547 201 S N 0.741 116.484 115.700 0.072 0.000 2.158 201 S HA 0.385 4.856 4.470 0.002 0.000 0.160 201 S C -0.326 174.251 174.600 -0.038 0.000 1.693 201 S CA -0.548 57.651 58.200 -0.002 0.000 1.251 201 S CB -0.102 63.122 63.200 0.039 0.000 1.153 201 S HN 0.057 nan 8.310 nan 0.000 0.439 202 I N 2.492 123.018 120.570 -0.073 0.000 2.496 202 I HA 0.143 4.314 4.170 0.002 0.000 0.285 202 I C 0.359 176.301 176.117 -0.292 0.000 1.080 202 I CA -0.065 61.106 61.300 -0.214 0.000 1.404 202 I CB 0.638 38.452 38.000 -0.311 0.000 1.403 202 I HN 0.200 nan 8.210 nan 0.000 0.539 203 K N 6.646 126.874 120.400 -0.286 0.000 2.234 203 K HA 0.390 4.711 4.320 0.002 0.000 0.277 203 K C -1.347 175.092 176.600 -0.268 0.000 1.038 203 K CA -0.413 55.770 56.287 -0.174 0.000 0.888 203 K CB 0.853 33.308 32.500 -0.075 0.000 1.091 203 K HN 0.316 nan 8.250 nan 0.000 0.467 204 Y N 1.970 122.302 120.300 0.052 0.000 2.323 204 Y HA 0.107 4.658 4.550 0.002 0.000 0.331 204 Y C 1.337 177.264 175.900 0.045 0.000 1.092 204 Y CA -0.629 57.505 58.100 0.058 0.000 1.150 204 Y CB 0.886 39.397 38.460 0.086 0.000 1.200 204 Y HN 0.597 nan 8.280 nan 0.000 0.472 205 N N 1.490 120.290 118.700 0.167 0.000 2.009 205 N HA -0.180 4.561 4.740 0.002 0.000 0.195 205 N C 0.117 175.692 175.510 0.108 0.000 1.076 205 N CA 1.338 54.452 53.050 0.107 0.000 0.863 205 N CB -0.337 38.198 38.487 0.080 0.000 1.062 205 N HN 0.601 nan 8.380 nan 0.000 0.425 206 N N 2.115 120.878 118.700 0.105 0.000 3.243 206 N HA -0.031 4.710 4.740 0.002 0.000 0.310 206 N C -0.279 175.290 175.510 0.099 0.000 1.313 206 N CA 0.116 53.221 53.050 0.090 0.000 1.204 206 N CB -0.069 38.464 38.487 0.076 0.000 1.483 206 N HN 0.457 nan 8.380 nan 0.000 0.553 207 Q N 1.107 120.974 119.800 0.112 0.000 2.256 207 Q HA 0.347 4.688 4.340 0.002 0.000 0.254 207 Q C -0.923 175.130 176.000 0.088 0.000 0.916 207 Q CA -0.477 55.388 55.803 0.103 0.000 0.932 207 Q CB 0.899 29.721 28.738 0.139 0.000 1.207 207 Q HN 0.330 nan 8.270 nan 0.000 0.426 208 L N 2.962 124.234 121.223 0.082 0.000 2.307 208 L HA 0.855 5.196 4.340 0.002 0.000 0.284 208 L C -0.572 176.316 176.870 0.030 0.000 1.023 208 L CA -0.655 54.242 54.840 0.095 0.000 0.810 208 L CB 1.724 43.903 42.059 0.199 0.000 1.231 208 L HN 0.775 nan 8.230 nan 0.000 0.423 209 A N 1.011 123.847 122.820 0.027 0.000 2.604 209 A HA 0.677 4.998 4.320 0.002 0.000 0.295 209 A C -0.502 177.080 177.584 -0.004 0.000 1.067 209 A CA -0.562 51.468 52.037 -0.011 0.000 0.683 209 A CB 1.843 20.852 19.000 0.014 0.000 1.281 209 A HN 0.613 nan 8.150 nan 0.000 0.407 210 T N 0.342 114.882 114.554 -0.024 0.000 2.781 210 T HA 0.530 4.881 4.350 0.002 0.000 0.305 210 T C 0.423 175.192 174.700 0.114 0.000 1.001 210 T CA -0.739 61.364 62.100 0.005 0.000 0.950 210 T CB 0.084 68.907 68.868 -0.074 0.000 0.955 210 T HN 0.913 nan 8.240 nan 0.000 0.471 211 R N 2.003 122.528 120.500 0.042 0.000 2.893 211 R HA 0.254 4.595 4.340 0.002 0.000 0.279 211 R C 0.428 176.521 176.300 -0.345 0.000 1.076 211 R CA -0.723 55.337 56.100 -0.067 0.000 1.203 211 R CB -0.437 29.806 30.300 -0.095 0.000 1.137 211 R HN 0.531 nan 8.270 nan 0.000 0.541 212 T N -1.104 112.898 114.554 -0.919 0.000 2.900 212 T HA 0.382 4.733 4.350 0.002 0.000 0.307 212 T C -0.178 174.245 174.700 -0.461 0.000 1.065 212 T CA 0.296 61.618 62.100 -1.297 0.000 1.105 212 T CB 0.472 68.607 68.868 -1.220 0.000 0.979 212 T HN 0.663 nan 8.240 nan 0.000 0.544 213 A N 3.246 125.912 122.820 -0.256 0.000 2.443 213 A HA 0.685 5.006 4.320 0.002 0.000 0.278 213 A C -0.540 177.088 177.584 0.073 0.000 1.252 213 A CA -0.845 51.131 52.037 -0.101 0.000 0.816 213 A CB 0.804 19.686 19.000 -0.197 0.000 1.369 213 A HN 0.802 nan 8.150 nan 0.000 0.446 214 Q N -0.024 119.905 119.800 0.216 0.000 2.361 214 Q HA 0.369 4.710 4.340 0.002 0.000 0.276 214 Q C 1.336 177.533 176.000 0.328 0.000 1.022 214 Q CA 0.465 56.441 55.803 0.289 0.000 0.898 214 Q CB 0.756 29.696 28.738 0.336 0.000 1.246 214 Q HN 0.901 nan 8.270 nan 0.000 0.410 215 A N 3.365 126.295 122.820 0.183 0.000 1.971 215 A HA -0.260 4.061 4.320 0.002 0.000 0.222 215 A C 1.748 179.389 177.584 0.094 0.000 1.182 215 A CA 1.932 54.052 52.037 0.138 0.000 0.649 215 A CB -0.785 18.257 19.000 0.069 0.000 0.818 215 A HN 0.932 nan 8.150 nan 0.000 0.458 216 I N -1.924 118.646 120.570 0.001 0.000 2.850 216 I HA -0.161 4.011 4.170 0.002 0.000 0.266 216 I C 0.824 176.794 176.117 -0.246 0.000 1.257 216 I CA 0.991 62.190 61.300 -0.168 0.000 1.465 216 I CB -0.099 37.717 38.000 -0.306 0.000 1.091 216 I HN 0.311 nan 8.210 nan 0.000 0.467 217 F N 0.561 120.567 119.950 0.093 0.000 2.660 217 F HA 0.185 4.713 4.527 0.002 0.000 0.302 217 F C 0.633 176.531 175.800 0.164 0.000 1.103 217 F CA -0.632 57.445 58.000 0.128 0.000 1.340 217 F CB -0.379 38.711 39.000 0.149 0.000 1.048 217 F HN -0.010 nan 8.300 nan 0.000 0.551 218 D N 0.457 121.023 120.400 0.277 0.000 2.357 218 D HA 0.009 4.650 4.640 0.002 0.000 0.242 218 D C 0.607 177.052 176.300 0.242 0.000 1.153 218 D CA 0.295 54.480 54.000 0.308 0.000 0.918 218 D CB 0.312 41.270 40.800 0.263 0.000 1.181 218 D HN 0.168 nan 8.370 nan 0.000 0.435 219 D N -0.012 120.589 120.400 0.335 0.000 2.811 219 D HA -0.167 4.474 4.640 0.002 0.000 0.231 219 D C 0.231 176.486 176.300 -0.075 0.000 1.157 219 D CA 0.490 54.589 54.000 0.166 0.000 0.716 219 D CB -1.199 39.594 40.800 -0.011 0.000 1.077 219 D HN 0.169 nan 8.370 nan 0.000 0.428 220 S N -1.596 114.178 115.700 0.122 0.000 2.478 220 S HA -0.006 4.465 4.470 0.002 0.000 0.222 220 S C 0.810 175.484 174.600 0.123 0.000 1.008 220 S CA -0.181 58.062 58.200 0.071 0.000 0.928 220 S CB 0.018 63.345 63.200 0.212 0.000 0.781 220 S HN 0.543 nan 8.310 nan 0.000 0.518 221 Y N 0.235 120.629 120.300 0.157 0.000 3.689 221 Y HA -0.185 4.366 4.550 0.002 0.000 0.221 221 Y C 0.159 176.098 175.900 0.065 0.000 1.247 221 Y CA -0.765 57.407 58.100 0.120 0.000 1.671 221 Y CB -1.695 36.859 38.460 0.157 0.000 1.521 221 Y HN 0.255 nan 8.280 nan 0.000 0.632 222 L N 1.385 122.731 121.223 0.205 0.000 2.499 222 L HA 0.416 4.757 4.340 0.002 0.000 0.273 222 L C 1.070 177.983 176.870 0.070 0.000 1.195 222 L CA 1.730 56.642 54.840 0.119 0.000 0.882 222 L CB 0.969 43.137 42.059 0.182 0.000 1.133 222 L HN 0.449 nan 8.230 nan 0.000 0.483 223 G N 3.179 112.014 108.800 0.058 0.000 2.134 223 G HA2 -0.354 3.607 3.960 0.002 0.000 0.209 223 G HA3 -0.354 3.607 3.960 0.002 0.000 0.209 223 G C 0.508 175.440 174.900 0.053 0.000 0.993 223 G CA 0.462 45.575 45.100 0.021 0.000 0.669 223 G HN 0.849 nan 8.290 nan 0.000 0.519 224 Y N 0.851 121.143 120.300 -0.013 0.000 2.220 224 Y HA 0.420 4.971 4.550 0.002 0.000 0.291 224 Y C 1.640 177.609 175.900 0.115 0.000 1.129 224 Y CA 1.991 60.122 58.100 0.052 0.000 1.161 224 Y CB 0.394 38.889 38.460 0.059 0.000 0.997 224 Y HN 0.399 nan 8.280 nan 0.000 0.522 225 S N -0.348 115.478 115.700 0.210 0.000 2.548 225 S HA 0.684 5.155 4.470 0.002 0.000 0.286 225 S C -1.743 172.863 174.600 0.009 0.000 1.098 225 S CA -0.656 57.580 58.200 0.060 0.000 0.930 225 S CB 1.546 64.748 63.200 0.004 0.000 1.070 225 S HN -0.095 nan 8.310 nan 0.000 0.480 226 V N 2.623 122.522 119.914 -0.025 0.000 2.686 226 V HA 0.939 5.060 4.120 0.002 0.000 0.306 226 V C -0.310 175.780 176.094 -0.007 0.000 1.065 226 V CA -0.185 62.106 62.300 -0.015 0.000 0.894 226 V CB 1.546 33.346 31.823 -0.039 0.000 1.004 226 V HN 1.157 nan 8.190 nan 0.000 0.424 227 A N 3.725 126.571 122.820 0.042 0.000 2.606 227 A HA 0.957 5.278 4.320 0.002 0.000 0.293 227 A C -1.713 175.971 177.584 0.167 0.000 1.082 227 A CA -0.626 51.458 52.037 0.078 0.000 0.685 227 A CB 2.304 21.341 19.000 0.061 0.000 1.284 227 A HN 1.393 nan 8.150 nan 0.000 0.408 228 V N 0.160 120.196 119.914 0.205 0.000 2.851 228 V HA 0.890 5.011 4.120 0.002 0.000 0.307 228 V C -0.122 176.133 176.094 0.268 0.000 1.129 228 V CA 0.793 63.265 62.300 0.286 0.000 0.932 228 V CB 1.870 33.868 31.823 0.292 0.000 1.024 228 V HN 2.201 nan 8.190 nan 0.000 0.426 229 G N 3.229 112.221 108.800 0.320 0.000 2.600 229 G HA2 0.416 4.377 3.960 0.002 0.000 0.293 229 G HA3 0.416 4.377 3.960 0.002 0.000 0.293 229 G C -1.863 172.986 174.900 -0.086 0.000 1.408 229 G CA -0.538 44.621 45.100 0.098 0.000 0.782 229 G HN 0.650 nan 8.290 nan 0.000 0.482 230 D N -0.087 120.141 120.400 -0.286 0.000 2.352 230 D HA 0.423 5.064 4.640 0.002 0.000 0.245 230 D C -0.036 175.930 176.300 -0.557 0.000 1.224 230 D CA -0.299 53.546 54.000 -0.258 0.000 0.879 230 D CB 0.668 41.396 40.800 -0.119 0.000 1.057 230 D HN 0.114 nan 8.370 nan 0.000 0.491 231 F N 1.883 121.913 119.950 0.134 0.000 2.637 231 F HA 0.069 4.598 4.527 0.002 0.000 0.284 231 F C 1.330 177.240 175.800 0.184 0.000 1.105 231 F CA -0.595 57.520 58.000 0.193 0.000 1.356 231 F CB -0.265 38.963 39.000 0.380 0.000 1.096 231 F HN 0.236 nan 8.300 nan 0.000 0.616 232 N N 0.987 119.843 118.700 0.260 0.000 2.317 232 N HA 0.070 4.811 4.740 0.002 0.000 0.245 232 N C 1.584 177.140 175.510 0.077 0.000 1.294 232 N CA 0.489 53.630 53.050 0.151 0.000 0.924 232 N CB -0.298 38.232 38.487 0.072 0.000 1.186 232 N HN 0.135 nan 8.380 nan 0.000 0.495 233 G N -0.977 107.854 108.800 0.052 0.000 2.681 233 G HA2 -0.261 3.700 3.960 0.002 0.000 0.220 233 G HA3 -0.261 3.700 3.960 0.002 0.000 0.220 233 G C 0.174 175.093 174.900 0.032 0.000 1.210 233 G CA 1.710 46.829 45.100 0.031 0.000 0.783 233 G HN 0.790 nan 8.290 nan 0.000 0.609 234 D N -3.628 116.789 120.400 0.028 0.000 2.838 234 D HA 0.481 5.122 4.640 0.002 0.000 0.334 234 D C 0.456 176.766 176.300 0.016 0.000 1.315 234 D CA 0.689 54.704 54.000 0.026 0.000 0.917 234 D CB 1.087 41.906 40.800 0.032 0.000 1.435 234 D HN 0.852 nan 8.370 nan 0.000 0.517 235 G N -0.176 108.633 108.800 0.014 0.000 2.408 235 G HA2 -0.066 3.895 3.960 0.002 0.000 0.204 235 G HA3 -0.066 3.895 3.960 0.002 0.000 0.204 235 G C 0.475 175.380 174.900 0.009 0.000 1.186 235 G CA 0.102 45.208 45.100 0.010 0.000 1.139 235 G HN 0.527 nan 8.290 nan 0.000 0.563 236 I N -0.586 119.988 120.570 0.007 0.000 4.875 236 I HA 0.559 4.730 4.170 0.002 0.000 0.158 236 I C 0.143 176.267 176.117 0.011 0.000 1.419 236 I CA 0.276 61.584 61.300 0.014 0.000 1.084 236 I CB -1.063 36.952 38.000 0.025 0.000 1.724 236 I HN 0.402 nan 8.210 nan 0.000 0.854 237 D N 0.494 120.909 120.400 0.025 0.000 2.217 237 D HA 0.496 5.137 4.640 0.002 0.000 0.248 237 D C -1.096 175.180 176.300 -0.040 0.000 1.008 237 D CA -0.116 53.911 54.000 0.045 0.000 0.914 237 D CB 1.422 42.297 40.800 0.124 0.000 1.182 237 D HN 0.296 nan 8.370 nan 0.000 0.451 238 D N -0.096 120.324 120.400 0.032 0.000 2.340 238 D HA 0.337 4.978 4.640 0.002 0.000 0.240 238 D C -0.438 175.939 176.300 0.130 0.000 1.001 238 D CA -0.462 53.494 54.000 -0.073 0.000 0.888 238 D CB 0.991 41.905 40.800 0.191 0.000 1.310 238 D HN 0.182 nan 8.370 nan 0.000 0.474 239 F N 0.454 120.557 119.950 0.254 0.000 2.438 239 F HA 0.393 4.921 4.527 0.002 0.000 0.356 239 F C 0.444 176.393 175.800 0.249 0.000 1.099 239 F CA -0.691 57.439 58.000 0.217 0.000 1.185 239 F CB 0.739 39.828 39.000 0.148 0.000 1.115 239 F HN -0.205 nan 8.300 nan 0.000 0.526 240 V N 3.002 123.137 119.914 0.367 0.000 2.487 240 V HA 0.512 4.633 4.120 0.002 0.000 0.298 240 V C -0.475 175.701 176.094 0.137 0.000 1.028 240 V CA -0.408 62.006 62.300 0.190 0.000 0.860 240 V CB 1.900 33.768 31.823 0.076 0.000 0.991 240 V HN 0.801 nan 8.190 nan 0.000 0.427 241 S N 3.217 118.990 115.700 0.121 0.000 2.536 241 S HA 0.755 5.226 4.470 0.002 0.000 0.271 241 S C -0.232 174.352 174.600 -0.025 0.000 1.134 241 S CA -0.105 58.132 58.200 0.063 0.000 0.897 241 S CB 1.823 65.092 63.200 0.116 0.000 1.094 241 S HN 1.094 nan 8.310 nan 0.000 0.473 242 G N 1.554 110.312 108.800 -0.071 0.000 2.338 242 G HA2 0.544 4.505 3.960 0.002 0.000 0.298 242 G HA3 0.544 4.505 3.960 0.002 0.000 0.298 242 G C -0.799 174.038 174.900 -0.105 0.000 1.140 242 G CA -0.427 44.586 45.100 -0.144 0.000 0.860 242 G HN 0.795 nan 8.290 nan 0.000 0.470 243 V N 5.580 125.379 119.914 -0.192 0.000 2.225 243 V HA 0.194 4.315 4.120 0.002 0.000 0.264 243 V C -0.982 175.020 176.094 -0.154 0.000 1.067 243 V CA -1.203 60.995 62.300 -0.169 0.000 0.903 243 V CB 1.453 33.038 31.823 -0.397 0.000 1.136 243 V HN 0.719 nan 8.190 nan 0.000 0.456 244 P HA -0.186 nan 4.420 nan 0.000 0.218 244 P C 0.901 177.924 177.300 -0.461 0.000 1.146 244 P CA 1.305 64.105 63.100 -0.499 0.000 0.820 244 P CB 0.385 31.459 31.700 -1.044 0.000 0.778 245 R N -0.992 119.327 120.500 -0.302 0.000 2.546 245 R HA 0.413 4.754 4.340 0.002 0.000 0.320 245 R C 0.904 177.129 176.300 -0.124 0.000 1.021 245 R CA -0.371 55.576 56.100 -0.255 0.000 1.088 245 R CB 0.479 30.534 30.300 -0.410 0.000 1.278 245 R HN 0.133 nan 8.270 nan 0.000 0.557 246 A N 0.983 123.763 122.820 -0.066 0.000 2.346 246 A HA 0.462 4.783 4.320 0.002 0.000 0.255 246 A C 0.682 178.276 177.584 0.017 0.000 1.113 246 A CA 0.224 52.276 52.037 0.024 0.000 0.798 246 A CB -0.025 18.993 19.000 0.031 0.000 1.073 246 A HN 0.411 nan 8.150 nan 0.000 0.502 247 A N 0.650 123.503 122.820 0.054 0.000 1.949 247 A HA -0.146 4.175 4.320 0.002 0.000 0.255 247 A C 0.844 178.415 177.584 -0.022 0.000 1.286 247 A CA 1.088 53.134 52.037 0.015 0.000 0.755 247 A CB -1.459 17.559 19.000 0.029 0.000 1.161 247 A HN 1.379 nan 8.150 nan 0.000 0.308 248 R N -0.185 120.291 120.500 -0.040 0.000 2.965 248 R HA -0.274 4.067 4.340 0.002 0.000 0.245 248 R C 1.226 177.500 176.300 -0.045 0.000 0.861 248 R CA 1.705 57.775 56.100 -0.050 0.000 0.614 248 R CB -2.719 27.551 30.300 -0.050 0.000 1.229 248 R HN 2.204 nan 8.270 nan 0.000 0.503 249 T N -4.679 109.841 114.554 -0.056 0.000 7.366 249 T HA -0.281 4.070 4.350 0.002 0.000 0.298 249 T C 1.187 175.868 174.700 -0.031 0.000 2.046 249 T CA 1.532 63.601 62.100 -0.052 0.000 3.126 249 T CB -1.357 67.495 68.868 -0.027 0.000 2.130 249 T HN 0.478 nan 8.240 nan 0.000 1.215 250 L N 1.265 122.470 121.223 -0.030 0.000 2.072 250 L HA 0.397 4.739 4.340 0.002 0.000 0.205 250 L C 1.842 178.706 176.870 -0.011 0.000 1.079 250 L CA 1.283 56.106 54.840 -0.028 0.000 0.752 250 L CB -0.761 41.270 42.059 -0.047 0.000 0.906 250 L HN 1.080 nan 8.230 nan 0.000 0.436 251 G N -0.375 108.428 108.800 0.005 0.000 2.629 251 G HA2 -0.103 3.858 3.960 0.002 0.000 0.686 251 G HA3 -0.103 3.858 3.960 0.002 0.000 0.686 251 G C -1.009 174.023 174.900 0.220 0.000 1.232 251 G CA -0.569 44.593 45.100 0.103 0.000 0.803 251 G HN -0.003 nan 8.290 nan 0.000 0.638 252 M N -0.624 119.158 119.600 0.303 0.000 2.732 252 M HA 0.536 5.017 4.480 0.002 0.000 0.272 252 M C -0.988 175.389 176.300 0.127 0.000 1.203 252 M CA -0.863 54.628 55.300 0.318 0.000 0.841 252 M CB 2.755 35.422 32.600 0.111 0.000 1.685 252 M HN 0.708 nan 8.290 nan 0.000 0.492 253 V N 2.415 122.451 119.914 0.204 0.000 2.419 253 V HA 0.414 4.535 4.120 0.002 0.000 0.287 253 V C -1.428 174.779 176.094 0.188 0.000 1.017 253 V CA -0.747 61.526 62.300 -0.044 0.000 0.844 253 V CB 1.263 32.868 31.823 -0.364 0.000 1.011 253 V HN 0.571 nan 8.190 nan 0.000 0.429 254 Y N 4.647 125.010 120.300 0.106 0.000 2.319 254 Y HA 0.561 5.112 4.550 0.002 0.000 0.328 254 Y C 0.414 176.377 175.900 0.106 0.000 1.133 254 Y CA -1.440 56.725 58.100 0.107 0.000 1.265 254 Y CB 0.967 39.567 38.460 0.233 0.000 1.218 254 Y HN 0.416 nan 8.280 nan 0.000 0.508 255 I N 4.626 125.295 120.570 0.164 0.000 2.418 255 I HA 0.296 4.467 4.170 0.002 0.000 0.287 255 I C -0.985 175.140 176.117 0.013 0.000 1.008 255 I CA -0.806 60.575 61.300 0.134 0.000 1.104 255 I CB 1.169 39.208 38.000 0.064 0.000 1.264 255 I HN 0.460 nan 8.210 nan 0.000 0.438 256 Y N 2.972 123.356 120.300 0.140 0.000 2.650 256 Y HA 0.347 4.898 4.550 0.002 0.000 0.331 256 Y C 0.350 176.224 175.900 -0.043 0.000 1.082 256 Y CA -0.747 57.403 58.100 0.083 0.000 1.171 256 Y CB 0.845 39.433 38.460 0.213 0.000 1.326 256 Y HN 0.415 nan 8.280 nan 0.000 0.513 257 D N -0.172 120.287 120.400 0.098 0.000 2.302 257 D HA 0.144 4.785 4.640 0.002 0.000 0.248 257 D C 0.796 176.850 176.300 -0.411 0.000 1.094 257 D CA 0.233 54.179 54.000 -0.090 0.000 0.897 257 D CB 1.788 42.576 40.800 -0.020 0.000 1.200 257 D HN 0.865 nan 8.370 nan 0.000 0.429 258 G N 2.715 111.228 108.800 -0.479 0.000 2.920 258 G HA2 -0.094 3.867 3.960 0.002 0.000 0.208 258 G HA3 -0.094 3.867 3.960 0.002 0.000 0.208 258 G C 1.236 176.007 174.900 -0.216 0.000 1.159 258 G CA 0.285 44.979 45.100 -0.677 0.000 0.784 258 G HN 0.314 nan 8.290 nan 0.000 0.535 259 K N 0.413 120.750 120.400 -0.105 0.000 2.324 259 K HA 0.127 4.448 4.320 0.002 0.000 0.222 259 K C 1.853 178.475 176.600 0.035 0.000 1.107 259 K CA 0.271 56.554 56.287 -0.006 0.000 0.873 259 K CB -0.548 31.948 32.500 -0.006 0.000 1.270 259 K HN -0.001 nan 8.250 nan 0.000 0.456 260 N N 1.026 119.743 118.700 0.028 0.000 2.216 260 N HA -0.074 4.667 4.740 0.002 0.000 0.183 260 N C 0.843 176.414 175.510 0.102 0.000 1.017 260 N CA 0.736 53.818 53.050 0.054 0.000 0.861 260 N CB -0.143 38.366 38.487 0.036 0.000 0.986 260 N HN 0.153 nan 8.380 nan 0.000 0.428 261 M N -0.273 119.407 119.600 0.133 0.000 2.936 261 M HA -0.179 4.302 4.480 0.002 0.000 0.216 261 M C -0.816 175.678 176.300 0.322 0.000 0.544 261 M CA -0.168 55.284 55.300 0.254 0.000 0.774 261 M CB -2.226 30.516 32.600 0.235 0.000 2.799 261 M HN 0.165 nan 8.290 nan 0.000 0.474 262 S N -1.359 114.471 115.700 0.218 0.000 2.672 262 S HA 0.757 5.228 4.470 0.002 0.000 0.276 262 S C 0.303 174.930 174.600 0.045 0.000 1.207 262 S CA -0.166 58.117 58.200 0.138 0.000 1.002 262 S CB 1.900 65.116 63.200 0.025 0.000 0.998 262 S HN 0.588 nan 8.310 nan 0.000 0.542 263 S N 1.112 116.695 115.700 -0.196 0.000 2.505 263 S HA 0.286 4.757 4.470 0.002 0.000 0.276 263 S C 0.689 175.061 174.600 -0.381 0.000 1.274 263 S CA -0.790 57.097 58.200 -0.521 0.000 1.053 263 S CB -0.278 62.559 63.200 -0.604 0.000 0.919 263 S HN 0.622 nan 8.310 nan 0.000 0.490 264 L N 4.568 125.549 121.223 -0.404 0.000 2.208 264 L HA 0.390 4.731 4.340 0.002 0.000 0.196 264 L C -0.229 176.154 176.870 -0.811 0.000 1.130 264 L CA 1.466 55.959 54.840 -0.580 0.000 0.791 264 L CB -0.880 40.944 42.059 -0.392 0.000 0.969 264 L HN 0.665 nan 8.230 nan 0.000 0.468 265 Y N -1.354 118.935 120.300 -0.018 0.000 2.634 265 Y HA 0.488 5.039 4.550 0.002 0.000 0.340 265 Y C -0.098 175.840 175.900 0.063 0.000 1.058 265 Y CA -1.293 56.823 58.100 0.026 0.000 1.081 265 Y CB 1.028 39.564 38.460 0.126 0.000 1.295 265 Y HN 0.052 nan 8.280 nan 0.000 0.487 266 N N -0.063 118.792 118.700 0.258 0.000 2.284 266 N HA 0.585 5.326 4.740 0.002 0.000 0.289 266 N C -1.996 173.672 175.510 0.264 0.000 1.179 266 N CA -0.737 52.512 53.050 0.332 0.000 0.774 266 N CB 1.872 40.489 38.487 0.217 0.000 1.548 266 N HN 0.375 nan 8.380 nan 0.000 0.473 267 F N -0.284 119.760 119.950 0.158 0.000 2.576 267 F HA 0.574 5.102 4.527 0.002 0.000 0.313 267 F C 0.220 176.148 175.800 0.215 0.000 1.078 267 F CA -0.342 57.761 58.000 0.173 0.000 0.921 267 F CB 2.237 41.398 39.000 0.268 0.000 1.232 267 F HN 0.124 nan 8.300 nan 0.000 0.459 268 T N 0.745 115.356 114.554 0.095 0.000 2.900 268 T HA 0.626 4.977 4.350 0.002 0.000 0.295 268 T C 0.212 174.389 174.700 -0.873 0.000 1.044 268 T CA -0.828 61.154 62.100 -0.197 0.000 0.995 268 T CB 1.861 70.677 68.868 -0.087 0.000 1.072 268 T HN 0.843 nan 8.240 nan 0.000 0.473 269 G N 0.280 108.475 108.800 -1.007 0.000 2.683 269 G HA2 0.330 4.291 3.960 0.002 0.000 0.260 269 G HA3 0.330 4.291 3.960 0.002 0.000 0.260 269 G C 0.326 174.980 174.900 -0.409 0.000 1.238 269 G CA -0.038 44.455 45.100 -1.011 0.000 0.934 269 G HN 0.702 nan 8.290 nan 0.000 0.534 270 E N -1.974 118.124 120.200 -0.169 0.000 2.453 270 E HA 0.135 4.486 4.350 0.002 0.000 0.211 270 E C 0.768 177.389 176.600 0.035 0.000 0.897 270 E CA 0.093 56.478 56.400 -0.025 0.000 1.063 270 E CB 0.492 30.234 29.700 0.070 0.000 1.080 270 E HN 0.505 nan 8.360 nan 0.000 0.512 271 Q N 0.485 120.335 119.800 0.084 0.000 2.356 271 Q HA 0.395 4.737 4.340 0.002 0.000 0.270 271 Q C -0.748 175.265 176.000 0.021 0.000 1.058 271 Q CA -0.617 55.194 55.803 0.013 0.000 0.802 271 Q CB 1.274 29.942 28.738 -0.118 0.000 1.303 271 Q HN 0.003 nan 8.270 nan 0.000 0.444 272 M N 2.048 121.643 119.600 -0.008 0.000 2.207 272 M HA 0.268 4.749 4.480 0.002 0.000 0.311 272 M C 1.060 177.382 176.300 0.036 0.000 1.127 272 M CA 0.849 56.154 55.300 0.007 0.000 1.181 272 M CB 0.322 32.916 32.600 -0.010 0.000 1.409 272 M HN 1.007 nan 8.290 nan 0.000 0.461 273 A N 0.087 122.943 122.820 0.060 0.000 2.869 273 A HA -0.254 4.067 4.320 0.002 0.000 0.272 273 A C 1.446 179.136 177.584 0.177 0.000 1.332 273 A CA 1.433 53.540 52.037 0.116 0.000 0.939 273 A CB -2.217 16.824 19.000 0.069 0.000 1.018 273 A HN 1.084 nan 8.150 nan 0.000 0.696 274 A N -2.911 120.017 122.820 0.180 0.000 2.123 274 A HA 0.370 4.691 4.320 0.002 0.000 0.214 274 A C 0.931 178.722 177.584 0.346 0.000 1.152 274 A CA 1.297 53.482 52.037 0.246 0.000 0.728 274 A CB -0.149 19.032 19.000 0.300 0.000 0.814 274 A HN 1.752 nan 8.150 nan 0.000 0.464 275 Y N -2.648 117.727 120.300 0.125 0.000 3.457 275 Y HA -0.214 4.337 4.550 0.002 0.000 0.215 275 Y C -0.049 175.948 175.900 0.161 0.000 1.435 275 Y CA -0.026 58.135 58.100 0.102 0.000 1.569 275 Y CB -2.443 36.035 38.460 0.031 0.000 1.518 275 Y HN 0.428 nan 8.280 nan 0.000 0.580 276 F N 1.450 121.406 119.950 0.009 0.000 2.506 276 F HA 0.418 4.946 4.527 0.002 0.000 0.369 276 F C 1.162 176.923 175.800 -0.065 0.000 1.114 276 F CA 1.464 59.467 58.000 0.005 0.000 1.121 276 F CB 0.198 39.202 39.000 0.007 0.000 1.104 276 F HN 0.410 nan 8.300 nan 0.000 0.564 277 G N 4.969 113.582 108.800 -0.312 0.000 2.227 277 G HA2 -0.330 3.631 3.960 0.002 0.000 0.168 277 G HA3 -0.330 3.631 3.960 0.002 0.000 0.168 277 G C 0.734 175.570 174.900 -0.107 0.000 1.006 277 G CA 0.018 44.935 45.100 -0.306 0.000 0.684 277 G HN 0.686 nan 8.290 nan 0.000 0.489 278 F N 2.085 121.958 119.950 -0.128 0.000 2.202 278 F HA 0.378 4.906 4.527 0.002 0.000 0.301 278 F C 1.140 176.963 175.800 0.040 0.000 1.082 278 F CA 2.057 60.031 58.000 -0.042 0.000 1.313 278 F CB 0.269 39.333 39.000 0.106 0.000 1.024 278 F HN 0.243 nan 8.300 nan 0.000 0.495 279 S N 0.012 115.745 115.700 0.055 0.000 2.575 279 S HA 0.616 5.087 4.470 0.002 0.000 0.278 279 S C -1.108 173.427 174.600 -0.110 0.000 1.139 279 S CA -0.304 57.861 58.200 -0.059 0.000 0.954 279 S CB 1.044 64.255 63.200 0.019 0.000 1.054 279 S HN 0.339 nan 8.310 nan 0.000 0.483 280 V N 1.329 121.171 119.914 -0.120 0.000 3.040 280 V HA 1.100 5.221 4.120 0.002 0.000 0.312 280 V C -0.602 175.451 176.094 -0.068 0.000 1.115 280 V CA -0.593 61.631 62.300 -0.126 0.000 0.998 280 V CB 1.313 33.041 31.823 -0.160 0.000 1.042 280 V HN 1.495 nan 8.190 nan 0.000 0.433 281 A N 1.733 124.546 122.820 -0.011 0.000 2.547 281 A HA 0.916 5.237 4.320 0.002 0.000 0.300 281 A C -0.527 177.156 177.584 0.165 0.000 1.061 281 A CA -0.041 52.008 52.037 0.020 0.000 0.808 281 A CB 0.853 19.804 19.000 -0.083 0.000 1.304 281 A HN 2.508 nan 8.150 nan 0.000 0.393 282 A N 1.508 124.446 122.820 0.197 0.000 2.324 282 A HA 0.988 5.309 4.320 0.002 0.000 0.330 282 A C 0.007 177.743 177.584 0.255 0.000 1.165 282 A CA -0.251 51.996 52.037 0.350 0.000 0.813 282 A CB 1.116 20.369 19.000 0.422 0.000 1.197 282 A HN 1.388 nan 8.150 nan 0.000 0.484 283 T N 0.703 115.470 114.554 0.355 0.000 2.893 283 T HA 0.295 4.647 4.350 0.002 0.000 0.337 283 T C -1.882 173.009 174.700 0.318 0.000 1.587 283 T CA -0.549 61.686 62.100 0.225 0.000 1.066 283 T CB 1.570 70.456 68.868 0.030 0.000 1.414 283 T HN 0.692 nan 8.240 nan 0.000 0.488 284 D N 1.536 122.067 120.400 0.217 0.000 2.456 284 D HA 0.333 4.974 4.640 0.002 0.000 0.219 284 D C 0.559 177.007 176.300 0.246 0.000 1.126 284 D CA -0.520 53.619 54.000 0.231 0.000 0.890 284 D CB 0.515 41.412 40.800 0.162 0.000 1.025 284 D HN 0.292 nan 8.370 nan 0.000 0.511 285 I N 3.226 123.989 120.570 0.320 0.000 3.251 285 I HA 0.029 4.200 4.170 0.002 0.000 0.277 285 I C 0.721 177.018 176.117 0.300 0.000 1.268 285 I CA 0.410 61.902 61.300 0.319 0.000 1.449 285 I CB -0.089 38.180 38.000 0.448 0.000 1.083 285 I HN 0.405 nan 8.210 nan 0.000 0.464 286 N N -0.625 118.254 118.700 0.298 0.000 2.433 286 N HA 0.183 4.924 4.740 0.002 0.000 0.270 286 N C 1.092 176.886 175.510 0.473 0.000 1.354 286 N CA 0.289 53.533 53.050 0.324 0.000 0.889 286 N CB -0.287 38.310 38.487 0.183 0.000 1.285 286 N HN 0.101 nan 8.380 nan 0.000 0.503 287 G N 1.884 110.936 108.800 0.420 0.000 2.352 287 G HA2 -0.358 3.603 3.960 0.002 0.000 0.295 287 G HA3 -0.358 3.603 3.960 0.002 0.000 0.295 287 G C 0.419 175.371 174.900 0.086 0.000 0.991 287 G CA 1.046 46.246 45.100 0.167 0.000 0.796 287 G HN 0.691 nan 8.290 nan 0.000 0.511 288 D N -0.612 119.836 120.400 0.080 0.000 2.349 288 D HA 0.195 4.836 4.640 0.002 0.000 0.214 288 D C 0.678 176.847 176.300 -0.218 0.000 1.063 288 D CA 0.291 54.261 54.000 -0.049 0.000 0.847 288 D CB -0.017 40.772 40.800 -0.018 0.000 0.933 288 D HN 0.224 nan 8.370 nan 0.000 0.513 289 D N -0.426 119.910 120.400 -0.106 0.000 2.737 289 D HA -0.200 4.442 4.640 0.002 0.000 0.243 289 D C -1.479 174.763 176.300 -0.097 0.000 1.109 289 D CA 0.531 54.463 54.000 -0.113 0.000 0.702 289 D CB -1.827 38.881 40.800 -0.154 0.000 1.068 289 D HN 0.513 nan 8.370 nan 0.000 0.432 290 Y N -1.104 119.205 120.300 0.015 0.000 2.396 290 Y HA 0.557 5.108 4.550 0.002 0.000 0.332 290 Y C 0.513 176.424 175.900 0.019 0.000 1.034 290 Y CA -1.314 56.776 58.100 -0.017 0.000 1.057 290 Y CB 1.711 40.163 38.460 -0.013 0.000 1.220 290 Y HN 0.153 nan 8.280 nan 0.000 0.440 291 A N 3.224 126.105 122.820 0.102 0.000 2.462 291 A HA 0.229 4.550 4.320 0.002 0.000 0.243 291 A C -0.645 177.134 177.584 0.326 0.000 1.076 291 A CA -0.099 52.006 52.037 0.113 0.000 0.773 291 A CB 0.126 19.031 19.000 -0.157 0.000 1.010 291 A HN 0.674 nan 8.150 nan 0.000 0.493 292 D N 1.568 122.216 120.400 0.414 0.000 2.375 292 D HA 0.407 5.048 4.640 0.002 0.000 0.247 292 D C -0.579 175.896 176.300 0.293 0.000 1.061 292 D CA -0.182 54.025 54.000 0.345 0.000 0.834 292 D CB 1.950 42.881 40.800 0.218 0.000 1.247 292 D HN 0.219 nan 8.370 nan 0.000 0.489 293 V N 2.230 122.175 119.914 0.052 0.000 2.607 293 V HA 0.326 4.447 4.120 0.002 0.000 0.289 293 V C -0.380 175.454 176.094 -0.435 0.000 1.053 293 V CA -0.258 61.968 62.300 -0.123 0.000 0.996 293 V CB 0.336 31.858 31.823 -0.502 0.000 0.995 293 V HN 0.359 nan 8.190 nan 0.000 0.476 294 F N 4.632 124.485 119.950 -0.162 0.000 2.577 294 F HA 0.627 5.155 4.527 0.002 0.000 0.344 294 F C -0.309 175.340 175.800 -0.251 0.000 1.145 294 F CA -0.639 57.264 58.000 -0.161 0.000 0.996 294 F CB 1.111 40.047 39.000 -0.107 0.000 1.248 294 F HN 0.195 nan 8.300 nan 0.000 0.447 295 I N 1.876 122.332 120.570 -0.189 0.000 2.577 295 I HA 0.750 4.921 4.170 0.002 0.000 0.305 295 I C 0.589 176.577 176.117 -0.215 0.000 0.986 295 I CA -0.646 60.437 61.300 -0.362 0.000 1.189 295 I CB 1.566 39.063 38.000 -0.838 0.000 1.355 295 I HN 0.631 nan 8.210 nan 0.000 0.476 296 G N 2.442 111.125 108.800 -0.194 0.000 2.530 296 G HA2 0.706 4.667 3.960 0.002 0.000 0.316 296 G HA3 0.706 4.667 3.960 0.002 0.000 0.316 296 G C -1.247 173.682 174.900 0.049 0.000 1.298 296 G CA -0.671 44.399 45.100 -0.050 0.000 0.948 296 G HN 0.809 nan 8.290 nan 0.000 0.486 297 A N 4.474 127.365 122.820 0.117 0.000 2.842 297 A HA 0.679 5.001 4.320 0.002 0.000 0.339 297 A C -1.478 176.231 177.584 0.208 0.000 1.177 297 A CA -1.356 50.817 52.037 0.227 0.000 0.797 297 A CB 1.346 20.541 19.000 0.324 0.000 1.094 297 A HN 0.440 nan 8.150 nan 0.000 0.474 298 P HA -0.038 nan 4.420 nan 0.000 0.239 298 P C 0.220 177.607 177.300 0.145 0.000 1.184 298 P CA 0.688 63.848 63.100 0.101 0.000 0.760 298 P CB 0.289 31.950 31.700 -0.065 0.000 0.884 299 L N -1.859 119.471 121.223 0.178 0.000 3.122 299 L HA 0.354 4.695 4.340 0.002 0.000 0.274 299 L C 0.466 177.464 176.870 0.213 0.000 1.222 299 L CA -0.906 54.036 54.840 0.171 0.000 1.028 299 L CB -0.842 41.282 42.059 0.110 0.000 1.386 299 L HN -0.156 nan 8.230 nan 0.000 0.578 300 F N 1.304 121.321 119.950 0.112 0.000 2.506 300 F HA 0.283 4.811 4.527 0.002 0.000 0.351 300 F C 0.472 176.315 175.800 0.072 0.000 1.136 300 F CA 0.306 58.362 58.000 0.093 0.000 1.298 300 F CB 0.490 39.549 39.000 0.099 0.000 1.145 300 F HN -0.077 nan 8.300 nan 0.000 0.593 301 M N 6.346 125.586 119.600 -0.600 0.000 2.078 301 M HA 0.216 4.697 4.480 0.002 0.000 0.320 301 M C -1.058 174.953 176.300 -0.483 0.000 0.969 301 M CA -0.934 54.149 55.300 -0.363 0.000 0.929 301 M CB 1.236 33.690 32.600 -0.244 0.000 1.504 301 M HN 0.562 nan 8.290 nan 0.000 0.419 302 D N 1.979 122.330 120.400 -0.080 0.000 2.440 302 D HA 0.469 5.110 4.640 0.002 0.000 0.258 302 D C -0.582 175.714 176.300 -0.006 0.000 1.092 302 D CA -0.739 53.294 54.000 0.055 0.000 1.016 302 D CB 0.865 41.792 40.800 0.213 0.000 1.141 302 D HN 0.193 nan 8.370 nan 0.000 0.552 303 R N -0.490 120.018 120.500 0.014 0.000 2.265 303 R HA 0.627 4.968 4.340 0.002 0.000 0.319 303 R C 0.643 176.946 176.300 0.005 0.000 1.006 303 R CA -0.349 55.749 56.100 -0.003 0.000 0.880 303 R CB 1.130 31.429 30.300 -0.002 0.000 1.077 303 R HN 0.611 nan 8.270 nan 0.000 0.454 304 G N 0.232 109.028 108.800 -0.006 0.000 2.631 304 G HA2 -0.048 3.913 3.960 0.002 0.000 0.271 304 G HA3 -0.048 3.913 3.960 0.002 0.000 0.271 304 G C 0.954 175.853 174.900 -0.001 0.000 1.302 304 G CA -0.034 45.063 45.100 -0.005 0.000 1.002 304 G HN 0.592 nan 8.290 nan 0.000 0.519 305 S N -0.198 115.501 115.700 -0.000 0.000 2.374 305 S HA -0.209 4.262 4.470 0.002 0.000 0.227 305 S C 1.906 176.505 174.600 -0.003 0.000 1.037 305 S CA 2.228 60.428 58.200 -0.000 0.000 1.024 305 S CB -0.479 62.720 63.200 -0.001 0.000 0.861 305 S HN 0.713 nan 8.310 nan 0.000 0.456 306 D N -0.218 120.178 120.400 -0.006 0.000 2.378 306 D HA 0.102 4.743 4.640 0.002 0.000 0.227 306 D C 1.326 177.621 176.300 -0.008 0.000 1.012 306 D CA 0.947 54.943 54.000 -0.007 0.000 0.905 306 D CB -1.088 39.706 40.800 -0.009 0.000 0.895 306 D HN 0.609 nan 8.370 nan 0.000 0.532 307 G N 0.857 109.653 108.800 -0.007 0.000 2.153 307 G HA2 -0.350 3.611 3.960 0.002 0.000 0.252 307 G HA3 -0.350 3.611 3.960 0.002 0.000 0.252 307 G C 0.115 175.007 174.900 -0.014 0.000 0.994 307 G CA 0.433 45.528 45.100 -0.008 0.000 0.698 307 G HN 0.624 nan 8.290 nan 0.000 0.521 308 K N 0.425 120.815 120.400 -0.016 0.000 2.211 308 K HA 0.616 4.937 4.320 0.002 0.000 0.275 308 K C 1.085 177.669 176.600 -0.027 0.000 1.024 308 K CA -1.041 55.234 56.287 -0.020 0.000 0.887 308 K CB 0.410 32.900 32.500 -0.017 0.000 1.084 308 K HN 0.171 nan 8.250 nan 0.000 0.463 309 L N 3.761 124.964 121.223 -0.034 0.000 2.628 309 L HA -0.125 4.216 4.340 0.002 0.000 0.292 309 L C 0.247 177.092 176.870 -0.042 0.000 1.250 309 L CA 0.979 55.789 54.840 -0.049 0.000 0.892 309 L CB 0.103 42.127 42.059 -0.057 0.000 1.138 309 L HN 0.637 nan 8.230 nan 0.000 0.502 310 Q N 2.895 122.667 119.800 -0.048 0.000 2.305 310 Q HA 0.209 4.550 4.340 0.002 0.000 0.271 310 Q C -0.905 175.083 176.000 -0.020 0.000 1.046 310 Q CA -0.650 55.125 55.803 -0.047 0.000 0.798 310 Q CB 2.532 31.241 28.738 -0.049 0.000 1.286 310 Q HN 0.446 nan 8.270 nan 0.000 0.435 311 E N 3.106 123.314 120.200 0.014 0.000 1.941 311 E HA 0.133 4.484 4.350 0.002 0.000 0.275 311 E C 0.144 176.808 176.600 0.106 0.000 1.113 311 E CA -0.028 56.436 56.400 0.107 0.000 0.878 311 E CB 0.655 30.510 29.700 0.259 0.000 1.070 311 E HN 0.583 nan 8.360 nan 0.000 0.399 312 V N 0.982 120.963 119.914 0.113 0.000 3.548 312 V HA 0.465 4.586 4.120 0.002 0.000 0.279 312 V C 0.646 176.836 176.094 0.159 0.000 1.446 312 V CA 0.386 62.743 62.300 0.095 0.000 1.023 312 V CB 0.101 31.925 31.823 0.002 0.000 0.820 312 V HN 0.651 nan 8.190 nan 0.000 0.438 313 G N 0.295 109.243 108.800 0.246 0.000 2.712 313 G HA2 0.075 4.036 3.960 0.002 0.000 0.686 313 G HA3 0.075 4.036 3.960 0.002 0.000 0.686 313 G C -0.945 174.127 174.900 0.286 0.000 1.181 313 G CA 0.035 45.316 45.100 0.303 0.000 0.762 313 G HN 0.940 nan 8.290 nan 0.000 0.641 314 Q N -0.480 119.457 119.800 0.227 0.000 2.320 314 Q HA 0.600 4.941 4.340 0.002 0.000 0.272 314 Q C -1.297 174.723 176.000 0.033 0.000 1.023 314 Q CA -0.927 54.902 55.803 0.044 0.000 0.855 314 Q CB 2.526 30.971 28.738 -0.490 0.000 1.367 314 Q HN 0.982 nan 8.270 nan 0.000 0.406 315 V N 2.361 122.309 119.914 0.057 0.000 2.417 315 V HA 0.424 4.545 4.120 0.002 0.000 0.291 315 V C -0.290 175.800 176.094 -0.007 0.000 1.024 315 V CA -0.565 61.734 62.300 -0.002 0.000 0.861 315 V CB 1.639 33.430 31.823 -0.054 0.000 0.985 315 V HN 0.744 nan 8.190 nan 0.000 0.436 316 S N 4.552 120.254 115.700 0.003 0.000 2.404 316 S HA 0.409 4.880 4.470 0.002 0.000 0.309 316 S C -0.410 174.147 174.600 -0.072 0.000 1.076 316 S CA -0.504 57.706 58.200 0.017 0.000 1.095 316 S CB 0.607 63.910 63.200 0.172 0.000 0.972 316 S HN 0.502 nan 8.310 nan 0.000 0.484 317 V N 6.240 126.086 119.914 -0.113 0.000 2.299 317 V HA 0.262 4.383 4.120 0.002 0.000 0.255 317 V C 0.072 176.021 176.094 -0.242 0.000 1.100 317 V CA -0.464 61.646 62.300 -0.317 0.000 0.938 317 V CB 0.407 32.123 31.823 -0.178 0.000 1.139 317 V HN 0.897 nan 8.190 nan 0.000 0.490 318 S N 6.518 122.059 115.700 -0.264 0.000 2.415 318 S HA 0.451 4.922 4.470 0.002 0.000 0.313 318 S C -0.205 174.461 174.600 0.111 0.000 1.067 318 S CA -0.673 57.520 58.200 -0.011 0.000 1.099 318 S CB 0.485 63.741 63.200 0.093 0.000 0.991 318 S HN 0.360 nan 8.310 nan 0.000 0.491 319 L N 3.408 124.711 121.223 0.132 0.000 2.361 319 L HA 0.286 4.627 4.340 0.002 0.000 0.278 319 L C 0.767 177.779 176.870 0.237 0.000 1.113 319 L CA 0.351 55.290 54.840 0.165 0.000 0.849 319 L CB -0.168 41.951 42.059 0.100 0.000 1.155 319 L HN 0.718 nan 8.230 nan 0.000 0.452 320 Q N 3.090 123.011 119.800 0.202 0.000 2.281 320 Q HA 0.163 4.504 4.340 0.002 0.000 0.267 320 Q C -0.109 175.776 176.000 -0.192 0.000 1.053 320 Q CA -0.257 55.409 55.803 -0.228 0.000 0.905 320 Q CB 0.738 29.360 28.738 -0.193 0.000 1.195 320 Q HN 0.464 nan 8.270 nan 0.000 0.398 321 R N 2.391 122.703 120.500 -0.313 0.000 2.541 321 R HA 0.408 4.749 4.340 0.002 0.000 0.263 321 R C 0.697 176.872 176.300 -0.209 0.000 1.112 321 R CA 0.732 56.749 56.100 -0.138 0.000 1.170 321 R CB 0.492 30.722 30.300 -0.117 0.000 1.167 321 R HN 0.802 nan 8.270 nan 0.000 0.582 322 A N 0.271 123.088 122.820 -0.004 0.000 1.858 322 A HA -0.182 4.139 4.320 0.002 0.000 0.216 322 A C 1.853 179.381 177.584 -0.092 0.000 1.190 322 A CA 2.150 54.216 52.037 0.049 0.000 0.617 322 A CB -1.297 17.782 19.000 0.132 0.000 0.827 322 A HN 0.826 nan 8.150 nan 0.000 0.443 323 S N -1.655 113.997 115.700 -0.081 0.000 2.461 323 S HA 0.159 4.631 4.470 0.002 0.000 0.246 323 S C 1.634 176.169 174.600 -0.109 0.000 1.007 323 S CA 1.659 59.813 58.200 -0.076 0.000 0.976 323 S CB -0.626 62.539 63.200 -0.058 0.000 0.763 323 S HN 2.033 nan 8.310 nan 0.000 0.508 324 G N 1.336 110.000 108.800 -0.227 0.000 2.339 324 G HA2 -0.222 3.739 3.960 0.002 0.000 0.209 324 G HA3 -0.222 3.739 3.960 0.002 0.000 0.209 324 G C -0.188 174.421 174.900 -0.485 0.000 1.015 324 G CA 0.056 45.013 45.100 -0.237 0.000 0.635 324 G HN 0.845 nan 8.290 nan 0.000 0.499 325 D N 0.411 120.585 120.400 -0.376 0.000 2.433 325 D HA 0.632 5.273 4.640 0.002 0.000 0.255 325 D C 0.107 176.072 176.300 -0.558 0.000 1.226 325 D CA -0.536 53.242 54.000 -0.370 0.000 1.015 325 D CB 0.451 41.177 40.800 -0.123 0.000 1.091 325 D HN 0.184 nan 8.370 nan 0.000 0.527 326 F N -1.843 117.984 119.950 -0.205 0.000 2.613 326 F HA 0.402 4.930 4.527 0.002 0.000 0.342 326 F C 0.206 175.953 175.800 -0.088 0.000 1.066 326 F CA -0.976 56.944 58.000 -0.133 0.000 1.002 326 F CB 1.637 40.559 39.000 -0.129 0.000 1.319 326 F HN 0.293 nan 8.300 nan 0.000 0.495 327 Q N 1.544 121.444 119.800 0.165 0.000 2.490 327 Q HA 0.359 4.700 4.340 0.002 0.000 0.255 327 Q C -1.603 174.448 176.000 0.085 0.000 0.997 327 Q CA -0.293 55.560 55.803 0.083 0.000 0.709 327 Q CB 1.405 30.176 28.738 0.055 0.000 1.255 327 Q HN 0.795 nan 8.270 nan 0.000 0.486 328 T N 2.089 116.678 114.554 0.058 0.000 2.929 328 T HA 0.617 4.969 4.350 0.002 0.000 0.284 328 T C 0.137 174.848 174.700 0.018 0.000 1.014 328 T CA -0.285 61.838 62.100 0.037 0.000 1.051 328 T CB 1.596 70.489 68.868 0.042 0.000 1.028 328 T HN 0.718 nan 8.240 nan 0.000 0.485 329 T N -0.415 114.143 114.554 0.006 0.000 2.804 329 T HA 0.760 5.111 4.350 0.002 0.000 0.290 329 T C -1.267 173.427 174.700 -0.009 0.000 1.099 329 T CA -0.995 61.107 62.100 0.004 0.000 1.011 329 T CB 1.776 70.653 68.868 0.014 0.000 1.291 329 T HN 0.293 nan 8.240 nan 0.000 0.523 330 K N -0.353 120.037 120.400 -0.016 0.000 2.349 330 K HA 0.867 5.188 4.320 0.002 0.000 0.243 330 K C -1.461 175.125 176.600 -0.024 0.000 1.058 330 K CA -0.951 55.307 56.287 -0.048 0.000 0.871 330 K CB 1.605 34.046 32.500 -0.099 0.000 1.337 330 K HN 0.724 nan 8.250 nan 0.000 0.469 331 L N 1.453 122.652 121.223 -0.040 0.000 2.973 331 L HA 0.310 4.651 4.340 0.002 0.000 0.254 331 L C -1.827 175.006 176.870 -0.061 0.000 0.947 331 L CA -0.283 54.552 54.840 -0.009 0.000 1.064 331 L CB 0.870 42.956 42.059 0.047 0.000 1.534 331 L HN 0.553 nan 8.230 nan 0.000 0.504 332 N N 1.857 120.438 118.700 -0.199 0.000 2.434 332 N HA 0.771 5.512 4.740 0.002 0.000 0.266 332 N C 0.471 175.392 175.510 -0.982 0.000 1.223 332 N CA 0.169 53.022 53.050 -0.327 0.000 0.972 332 N CB 0.799 39.193 38.487 -0.155 0.000 1.207 332 N HN 0.745 nan 8.380 nan 0.000 0.525 333 G N -1.017 107.230 108.800 -0.922 0.000 2.588 333 G HA2 0.335 4.296 3.960 0.002 0.000 0.278 333 G HA3 0.335 4.296 3.960 0.002 0.000 0.278 333 G C -0.393 173.828 174.900 -1.131 0.000 1.307 333 G CA -0.272 43.968 45.100 -1.433 0.000 1.016 333 G HN 0.551 nan 8.290 nan 0.000 0.503 334 F N -1.003 118.778 119.950 -0.281 0.000 2.619 334 F HA 0.321 4.849 4.527 0.001 0.000 0.281 334 F C 1.129 176.908 175.800 -0.034 0.000 1.065 334 F CA -0.077 57.840 58.000 -0.139 0.000 1.304 334 F CB 0.567 39.492 39.000 -0.126 0.000 1.059 334 F HN 0.235 nan 8.300 nan 0.000 0.648 335 E N 0.934 121.230 120.200 0.160 0.000 2.221 335 E HA 0.438 4.789 4.350 0.002 0.000 0.268 335 E C -0.829 175.800 176.600 0.049 0.000 0.933 335 E CA -1.097 55.372 56.400 0.114 0.000 0.809 335 E CB 2.887 32.692 29.700 0.175 0.000 1.190 335 E HN -0.038 nan 8.360 nan 0.000 0.406 336 V N 0.494 120.372 119.914 -0.059 0.000 2.607 336 V HA 0.236 4.357 4.120 0.002 0.000 0.289 336 V C 0.008 176.037 176.094 -0.109 0.000 1.053 336 V CA -0.391 61.784 62.300 -0.208 0.000 0.996 336 V CB -0.181 31.313 31.823 -0.549 0.000 0.995 336 V HN 0.844 nan 8.190 nan 0.000 0.476 337 F N 1.114 121.123 119.950 0.099 0.000 2.794 337 F HA -0.240 4.287 4.527 0.001 0.000 0.335 337 F C 1.670 177.577 175.800 0.178 0.000 0.653 337 F CA 0.721 58.781 58.000 0.099 0.000 1.266 337 F CB -2.167 36.869 39.000 0.059 0.000 1.666 337 F HN 0.820 nan 8.300 nan 0.000 0.314 338 A N -0.351 122.688 122.820 0.365 0.000 2.016 338 A HA 0.242 4.563 4.320 0.002 0.000 0.217 338 A C 1.494 179.322 177.584 0.406 0.000 1.162 338 A CA 1.219 53.482 52.037 0.378 0.000 0.662 338 A CB -0.222 18.979 19.000 0.335 0.000 0.812 338 A HN 0.358 nan 8.150 nan 0.000 0.450 339 R N -3.169 117.547 120.500 0.359 0.000 3.201 339 R HA -0.192 4.149 4.340 0.002 0.000 0.254 339 R C 0.283 176.738 176.300 0.257 0.000 0.978 339 R CA 0.584 56.860 56.100 0.294 0.000 0.661 339 R CB -2.726 27.780 30.300 0.343 0.000 1.170 339 R HN 0.534 nan 8.270 nan 0.000 0.430 340 F N -0.036 119.984 119.950 0.117 0.000 2.024 340 F HA -0.218 4.310 4.527 0.002 0.000 0.296 340 F C 2.255 178.095 175.800 0.067 0.000 1.137 340 F CA 2.672 60.719 58.000 0.079 0.000 1.200 340 F CB -0.663 38.307 39.000 -0.051 0.000 0.954 340 F HN 0.335 nan 8.300 nan 0.000 0.497 341 G N -0.940 107.772 108.800 -0.146 0.000 3.094 341 G HA2 -0.026 3.935 3.960 0.002 0.000 0.208 341 G HA3 -0.026 3.935 3.960 0.002 0.000 0.208 341 G C 1.570 176.414 174.900 -0.092 0.000 1.189 341 G CA 0.691 45.641 45.100 -0.250 0.000 0.856 341 G HN 0.441 nan 8.290 nan 0.000 0.510 342 S N 0.105 115.771 115.700 -0.056 0.000 2.372 342 S HA 0.049 4.520 4.470 0.002 0.000 0.227 342 S C 1.313 175.954 174.600 0.070 0.000 1.044 342 S CA 1.350 59.564 58.200 0.023 0.000 1.050 342 S CB -0.035 63.144 63.200 -0.035 0.000 0.901 342 S HN 0.741 nan 8.310 nan 0.000 0.447 343 A N 0.417 123.189 122.820 -0.080 0.000 2.414 343 A HA 0.648 4.969 4.320 0.002 0.000 0.286 343 A C -0.869 176.626 177.584 -0.148 0.000 1.073 343 A CA -0.585 51.375 52.037 -0.129 0.000 0.727 343 A CB 0.810 19.701 19.000 -0.182 0.000 1.215 343 A HN 0.289 nan 8.150 nan 0.000 0.430 344 I N 2.823 123.304 120.570 -0.149 0.000 2.347 344 I HA 0.459 4.630 4.170 0.002 0.000 0.283 344 I C 0.598 176.616 176.117 -0.165 0.000 1.058 344 I CA -0.179 61.017 61.300 -0.173 0.000 1.202 344 I CB 1.371 39.266 38.000 -0.176 0.000 1.386 344 I HN 0.670 nan 8.210 nan 0.000 0.475 345 A N 8.218 130.956 122.820 -0.137 0.000 2.258 345 A HA 0.698 5.019 4.320 0.002 0.000 0.316 345 A C -2.587 174.938 177.584 -0.098 0.000 1.279 345 A CA -1.638 50.333 52.037 -0.111 0.000 0.876 345 A CB 0.296 19.244 19.000 -0.087 0.000 1.170 345 A HN 0.311 nan 8.150 nan 0.000 0.520 346 P HA 0.318 nan 4.420 nan 0.000 0.268 346 P C -0.495 176.796 177.300 -0.015 0.000 1.205 346 P CA 0.274 63.317 63.100 -0.094 0.000 0.771 346 P CB 0.610 32.260 31.700 -0.083 0.000 0.858 347 L N 1.267 122.492 121.223 0.004 0.000 2.267 347 L HA 0.632 4.973 4.340 0.002 0.000 0.264 347 L C 1.766 178.655 176.870 0.032 0.000 1.021 347 L CA -0.796 54.066 54.840 0.037 0.000 0.861 347 L CB 0.232 42.316 42.059 0.041 0.000 1.443 347 L HN 0.368 nan 8.230 nan 0.000 0.475 348 G N -0.833 107.985 108.800 0.029 0.000 2.679 348 G HA2 -0.073 3.888 3.960 0.002 0.000 0.185 348 G HA3 -0.073 3.888 3.960 0.002 0.000 0.185 348 G C -0.343 174.581 174.900 0.040 0.000 1.656 348 G CA 0.563 45.674 45.100 0.019 0.000 0.892 348 G HN 0.632 nan 8.290 nan 0.000 0.389 349 D N -0.349 120.079 120.400 0.047 0.000 2.621 349 D HA 0.166 4.807 4.640 0.002 0.000 0.274 349 D C 1.186 177.537 176.300 0.086 0.000 1.215 349 D CA -0.595 53.449 54.000 0.073 0.000 0.810 349 D CB 0.645 41.477 40.800 0.053 0.000 1.248 349 D HN -0.007 nan 8.370 nan 0.000 0.517 350 L N 1.945 123.200 121.223 0.052 0.000 2.574 350 L HA -0.138 4.203 4.340 0.002 0.000 0.230 350 L C 1.041 177.848 176.870 -0.104 0.000 1.160 350 L CA 1.844 56.681 54.840 -0.005 0.000 0.807 350 L CB -0.000 42.030 42.059 -0.049 0.000 0.931 350 L HN 0.409 nan 8.230 nan 0.000 0.450 351 D N -3.974 116.410 120.400 -0.026 0.000 2.530 351 D HA -0.033 4.608 4.640 0.002 0.000 0.253 351 D C 0.239 176.675 176.300 0.227 0.000 1.338 351 D CA -0.122 53.815 54.000 -0.106 0.000 0.806 351 D CB -0.145 40.453 40.800 -0.337 0.000 1.160 351 D HN 0.136 nan 8.370 nan 0.000 0.514 352 Q N 1.174 121.121 119.800 0.246 0.000 2.434 352 Q HA -0.199 4.142 4.340 0.002 0.000 0.299 352 Q C -0.034 176.048 176.000 0.137 0.000 1.286 352 Q CA 1.500 57.399 55.803 0.160 0.000 0.872 352 Q CB -1.959 26.844 28.738 0.108 0.000 1.193 352 Q HN 0.722 nan 8.270 nan 0.000 0.466 353 D N -1.903 118.593 120.400 0.160 0.000 2.340 353 D HA 0.231 4.872 4.640 0.002 0.000 0.220 353 D C 1.292 177.666 176.300 0.122 0.000 1.039 353 D CA 0.910 55.023 54.000 0.188 0.000 0.866 353 D CB 0.170 41.135 40.800 0.275 0.000 0.913 353 D HN 0.454 nan 8.370 nan 0.000 0.523 354 G N -1.337 107.466 108.800 0.005 0.000 2.159 354 G HA2 -0.170 3.791 3.960 0.002 0.000 0.227 354 G HA3 -0.170 3.791 3.960 0.002 0.000 0.227 354 G C -0.194 174.382 174.900 -0.540 0.000 0.986 354 G CA -0.072 44.878 45.100 -0.250 0.000 0.651 354 G HN 0.275 nan 8.290 nan 0.000 0.523 355 F N 0.286 120.279 119.950 0.072 0.000 2.603 355 F HA 0.605 5.133 4.527 0.002 0.000 0.317 355 F C 0.243 176.091 175.800 0.080 0.000 1.066 355 F CA -1.278 56.770 58.000 0.080 0.000 0.941 355 F CB 1.332 40.391 39.000 0.100 0.000 1.291 355 F HN -0.121 nan 8.300 nan 0.000 0.472 356 N N 1.168 120.043 118.700 0.291 0.000 2.445 356 N HA 0.279 5.020 4.740 0.002 0.000 0.264 356 N C -1.073 174.544 175.510 0.177 0.000 1.227 356 N CA -0.149 53.011 53.050 0.185 0.000 0.963 356 N CB 0.833 39.406 38.487 0.144 0.000 1.188 356 N HN 0.530 nan 8.380 nan 0.000 0.491 357 D N 0.197 120.667 120.400 0.117 0.000 2.553 357 D HA 0.621 5.262 4.640 0.002 0.000 0.249 357 D C -0.164 176.163 176.300 0.045 0.000 1.062 357 D CA -0.291 53.774 54.000 0.109 0.000 1.085 357 D CB 2.309 43.170 40.800 0.103 0.000 1.350 357 D HN 0.342 nan 8.370 nan 0.000 0.575 358 I N -0.910 119.697 120.570 0.061 0.000 2.897 358 I HA 0.514 4.685 4.170 0.002 0.000 0.299 358 I C -2.062 174.112 176.117 0.094 0.000 1.527 358 I CA -0.487 60.801 61.300 -0.019 0.000 0.979 358 I CB 1.849 39.721 38.000 -0.214 0.000 1.360 358 I HN 0.496 nan 8.210 nan 0.000 0.495 359 A N 6.668 129.517 122.820 0.047 0.000 2.381 359 A HA 0.787 5.108 4.320 0.002 0.000 0.299 359 A C -1.289 176.330 177.584 0.059 0.000 1.049 359 A CA -0.442 51.682 52.037 0.144 0.000 0.715 359 A CB 0.998 20.055 19.000 0.095 0.000 1.222 359 A HN 0.530 nan 8.150 nan 0.000 0.428 360 I N 1.625 122.281 120.570 0.145 0.000 2.498 360 I HA 0.648 4.819 4.170 0.002 0.000 0.301 360 I C 0.530 176.688 176.117 0.070 0.000 0.984 360 I CA -0.490 60.769 61.300 -0.068 0.000 1.204 360 I CB 2.030 39.800 38.000 -0.382 0.000 1.362 360 I HN 0.732 nan 8.210 nan 0.000 0.471 361 A N 4.227 127.014 122.820 -0.056 0.000 2.371 361 A HA 0.831 5.152 4.320 0.002 0.000 0.311 361 A C -0.633 177.004 177.584 0.088 0.000 1.068 361 A CA -0.601 51.475 52.037 0.064 0.000 0.744 361 A CB 1.582 20.564 19.000 -0.032 0.000 1.239 361 A HN 0.789 nan 8.150 nan 0.000 0.435 362 A N 4.212 127.199 122.820 0.278 0.000 2.654 362 A HA 0.659 4.981 4.320 0.002 0.000 0.345 362 A C -1.602 176.091 177.584 0.182 0.000 1.368 362 A CA -1.421 50.805 52.037 0.316 0.000 0.895 362 A CB 0.218 19.576 19.000 0.596 0.000 1.143 362 A HN 0.546 nan 8.150 nan 0.000 0.490 363 P HA -0.162 nan 4.420 nan 0.000 0.220 363 P C 0.189 177.340 177.300 -0.248 0.000 1.148 363 P CA 1.456 64.447 63.100 -0.182 0.000 0.803 363 P CB -0.028 31.425 31.700 -0.413 0.000 0.782 364 Y N -0.509 119.916 120.300 0.210 0.000 2.658 364 Y HA 0.429 4.980 4.550 0.002 0.000 0.276 364 Y C 1.851 177.866 175.900 0.191 0.000 1.167 364 Y CA -0.785 57.420 58.100 0.174 0.000 1.230 364 Y CB 0.046 38.598 38.460 0.154 0.000 1.144 364 Y HN -0.069 nan 8.280 nan 0.000 0.529 365 G N -0.159 108.813 108.800 0.287 0.000 2.510 365 G HA2 0.512 4.473 3.960 0.002 0.000 0.280 365 G HA3 0.512 4.473 3.960 0.002 0.000 0.280 365 G C 0.421 175.438 174.900 0.195 0.000 1.386 365 G CA 0.056 45.319 45.100 0.272 0.000 1.047 365 G HN 0.520 nan 8.290 nan 0.000 0.527 366 G N -0.971 107.931 108.800 0.170 0.000 2.804 366 G HA2 0.070 4.031 3.960 0.002 0.000 0.230 366 G HA3 0.070 4.031 3.960 0.002 0.000 0.230 366 G C 0.128 175.078 174.900 0.084 0.000 1.386 366 G CA 0.242 45.402 45.100 0.100 0.000 0.875 366 G HN 1.209 nan 8.290 nan 0.000 0.557 367 E N 0.744 120.971 120.200 0.045 0.000 2.338 367 E HA 0.399 4.750 4.350 0.002 0.000 0.272 367 E C 0.155 176.777 176.600 0.036 0.000 1.029 367 E CA 0.340 56.762 56.400 0.037 0.000 0.872 367 E CB 0.669 30.376 29.700 0.012 0.000 1.015 367 E HN 0.719 nan 8.360 nan 0.000 0.417 368 D N 2.406 122.836 120.400 0.050 0.000 2.981 368 D HA -0.191 4.450 4.640 0.002 0.000 0.223 368 D C -0.472 175.875 176.300 0.079 0.000 1.151 368 D CA 1.184 55.216 54.000 0.053 0.000 0.827 368 D CB -1.141 39.677 40.800 0.030 0.000 1.101 368 D HN 0.772 nan 8.370 nan 0.000 0.426 369 K N -1.163 119.303 120.400 0.110 0.000 3.010 369 K HA -0.342 3.979 4.320 0.002 0.000 0.255 369 K C 0.893 177.580 176.600 0.145 0.000 0.929 369 K CA 1.094 57.478 56.287 0.162 0.000 0.687 369 K CB -0.569 32.051 32.500 0.199 0.000 1.304 369 K HN 0.480 nan 8.250 nan 0.000 0.479 370 K N 0.036 120.487 120.400 0.084 0.000 2.283 370 K HA -0.044 4.277 4.320 0.002 0.000 0.202 370 K C 0.938 177.580 176.600 0.071 0.000 1.048 370 K CA 0.734 57.047 56.287 0.043 0.000 0.948 370 K CB 0.144 32.608 32.500 -0.059 0.000 0.742 370 K HN 0.576 nan 8.250 nan 0.000 0.458 371 G N 1.256 110.128 108.800 0.120 0.000 2.788 371 G HA2 -0.122 3.839 3.960 0.002 0.000 0.686 371 G HA3 -0.122 3.839 3.960 0.002 0.000 0.686 371 G C -1.018 174.034 174.900 0.253 0.000 1.147 371 G CA -1.001 44.245 45.100 0.244 0.000 0.755 371 G HN 0.006 nan 8.290 nan 0.000 0.634 372 I N 1.150 121.857 120.570 0.228 0.000 2.582 372 I HA 0.524 4.696 4.170 0.002 0.000 0.292 372 I C 0.271 176.369 176.117 -0.031 0.000 1.066 372 I CA -1.075 60.247 61.300 0.036 0.000 1.053 372 I CB 1.813 39.656 38.000 -0.261 0.000 1.241 372 I HN 0.439 nan 8.210 nan 0.000 0.421 373 V N 6.701 126.603 119.914 -0.020 0.000 2.384 373 V HA 0.365 4.486 4.120 0.002 0.000 0.287 373 V C -0.887 175.144 176.094 -0.106 0.000 1.020 373 V CA -0.648 61.637 62.300 -0.025 0.000 0.850 373 V CB 1.146 32.975 31.823 0.009 0.000 0.987 373 V HN 0.424 nan 8.190 nan 0.000 0.436 374 Y N 5.264 125.718 120.300 0.257 0.000 2.328 374 Y HA 0.631 5.182 4.550 0.002 0.000 0.337 374 Y C 0.427 176.479 175.900 0.253 0.000 1.008 374 Y CA -0.852 57.400 58.100 0.253 0.000 1.129 374 Y CB 1.388 40.164 38.460 0.528 0.000 1.185 374 Y HN 0.658 nan 8.280 nan 0.000 0.476 375 I N 0.874 121.560 120.570 0.193 0.000 2.354 375 I HA 0.634 4.805 4.170 0.002 0.000 0.292 375 I C -1.452 174.730 176.117 0.108 0.000 0.989 375 I CA -0.518 60.903 61.300 0.202 0.000 1.188 375 I CB 0.750 38.798 38.000 0.081 0.000 1.342 375 I HN 0.221 nan 8.210 nan 0.000 0.457 376 F N 4.136 124.178 119.950 0.153 0.000 2.497 376 F HA 0.539 5.067 4.527 0.002 0.000 0.331 376 F C 0.467 176.346 175.800 0.132 0.000 1.060 376 F CA -0.697 57.399 58.000 0.161 0.000 0.989 376 F CB 1.298 40.407 39.000 0.181 0.000 1.245 376 F HN 0.508 nan 8.300 nan 0.000 0.486 377 N N -0.565 118.325 118.700 0.317 0.000 2.362 377 N HA 0.555 5.296 4.740 0.002 0.000 0.299 377 N C -0.552 175.089 175.510 0.219 0.000 1.170 377 N CA -0.644 52.547 53.050 0.234 0.000 0.825 377 N CB 2.171 40.778 38.487 0.201 0.000 1.299 377 N HN 0.776 nan 8.380 nan 0.000 0.502 378 G N 0.066 108.985 108.800 0.198 0.000 2.412 378 G HA2 0.628 4.589 3.960 0.002 0.000 0.318 378 G HA3 0.628 4.589 3.960 0.002 0.000 0.318 378 G C -0.412 174.466 174.900 -0.037 0.000 1.146 378 G CA -0.432 44.761 45.100 0.154 0.000 0.882 378 G HN 0.645 nan 8.290 nan 0.000 0.501 379 R N -1.087 119.244 120.500 -0.281 0.000 2.795 379 R HA 0.530 4.871 4.340 0.002 0.000 0.268 379 R C 1.203 176.989 176.300 -0.856 0.000 1.041 379 R CA -0.022 55.629 56.100 -0.747 0.000 0.927 379 R CB 0.651 30.775 30.300 -0.293 0.000 1.235 379 R HN 0.573 nan 8.270 nan 0.000 0.463 380 S N -0.017 115.158 115.700 -0.875 0.000 2.365 380 S HA -0.261 4.210 4.470 0.002 0.000 0.225 380 S C 1.849 176.394 174.600 -0.090 0.000 1.039 380 S CA 2.123 60.140 58.200 -0.304 0.000 1.033 380 S CB -1.183 61.975 63.200 -0.070 0.000 0.887 380 S HN 0.829 nan 8.310 nan 0.000 0.447 381 T N -1.663 112.842 114.554 -0.081 0.000 2.962 381 T HA 0.452 4.804 4.350 0.002 0.000 0.270 381 T C 1.255 175.965 174.700 0.016 0.000 1.088 381 T CA 0.932 63.027 62.100 -0.009 0.000 1.127 381 T CB -0.644 68.226 68.868 0.003 0.000 0.883 381 T HN 1.171 nan 8.240 nan 0.000 0.493 382 G N 0.804 109.606 108.800 0.003 0.000 2.366 382 G HA2 0.292 4.253 3.960 0.002 0.000 0.190 382 G HA3 0.292 4.253 3.960 0.002 0.000 0.190 382 G C -1.867 173.078 174.900 0.075 0.000 1.299 382 G CA -0.491 44.643 45.100 0.057 0.000 1.056 382 G HN 0.609 nan 8.290 nan 0.000 0.468 383 L N 1.916 123.211 121.223 0.121 0.000 2.282 383 L HA 0.613 4.954 4.340 0.002 0.000 0.288 383 L C 0.504 177.482 176.870 0.179 0.000 1.033 383 L CA -0.700 54.243 54.840 0.172 0.000 0.807 383 L CB 1.370 43.565 42.059 0.227 0.000 1.209 383 L HN 0.672 nan 8.230 nan 0.000 0.423 384 N N 4.142 122.965 118.700 0.206 0.000 2.416 384 N HA 0.055 4.796 4.740 0.002 0.000 0.265 384 N C 0.889 176.605 175.510 0.343 0.000 1.195 384 N CA 0.402 53.586 53.050 0.222 0.000 0.943 384 N CB 1.333 39.941 38.487 0.203 0.000 1.115 384 N HN 0.938 nan 8.380 nan 0.000 0.481 385 A N 3.629 126.630 122.820 0.303 0.000 2.234 385 A HA -0.024 4.297 4.320 0.002 0.000 0.216 385 A C 0.609 178.470 177.584 0.461 0.000 1.167 385 A CA 0.598 52.872 52.037 0.395 0.000 0.698 385 A CB -0.037 19.110 19.000 0.246 0.000 0.779 385 A HN 0.458 nan 8.150 nan 0.000 0.475 386 V N 0.777 120.854 119.914 0.271 0.000 2.370 386 V HA 0.249 4.370 4.120 0.002 0.000 0.279 386 V C -2.527 173.455 176.094 -0.186 0.000 1.029 386 V CA -1.979 60.368 62.300 0.077 0.000 0.870 386 V CB 1.101 32.961 31.823 0.062 0.000 0.984 386 V HN 0.094 nan 8.190 nan 0.000 0.451 387 P HA 0.038 nan 4.420 nan 0.000 0.257 387 P C 0.758 177.902 177.300 -0.259 0.000 1.189 387 P CA 0.593 63.297 63.100 -0.661 0.000 0.780 387 P CB 0.436 31.949 31.700 -0.312 0.000 0.772 388 S N 1.831 117.417 115.700 -0.189 0.000 2.515 388 S HA -0.080 4.391 4.470 0.002 0.000 0.231 388 S C 0.658 175.250 174.600 -0.012 0.000 0.987 388 S CA 0.696 58.872 58.200 -0.040 0.000 0.936 388 S CB -0.188 63.042 63.200 0.049 0.000 0.766 388 S HN 0.574 nan 8.310 nan 0.000 0.528 389 Q N -0.344 119.434 119.800 -0.036 0.000 2.721 389 Q HA 0.439 4.780 4.340 0.002 0.000 0.282 389 Q C -2.227 173.757 176.000 -0.028 0.000 0.932 389 Q CA -0.741 55.047 55.803 -0.024 0.000 0.816 389 Q CB 1.098 29.826 28.738 -0.017 0.000 1.506 389 Q HN 0.309 nan 8.270 nan 0.000 0.399 390 I N 0.434 120.971 120.570 -0.055 0.000 2.500 390 I HA 0.471 4.642 4.170 0.002 0.000 0.286 390 I C -1.406 174.631 176.117 -0.133 0.000 1.063 390 I CA -1.014 60.221 61.300 -0.109 0.000 1.062 390 I CB 1.177 39.103 38.000 -0.123 0.000 1.223 390 I HN 0.297 nan 8.210 nan 0.000 0.435 391 L N 5.410 126.552 121.223 -0.135 0.000 2.349 391 L HA 0.487 4.828 4.340 0.002 0.000 0.275 391 L C 0.295 177.147 176.870 -0.031 0.000 1.115 391 L CA 0.167 54.939 54.840 -0.114 0.000 0.820 391 L CB 0.443 42.395 42.059 -0.178 0.000 1.135 391 L HN 0.737 nan 8.230 nan 0.000 0.445 392 E N 1.376 121.495 120.200 -0.135 0.000 2.199 392 E HA 0.450 4.801 4.350 0.002 0.000 0.265 392 E C 0.091 176.291 176.600 -0.667 0.000 0.882 392 E CA -0.733 55.491 56.400 -0.293 0.000 0.759 392 E CB 1.902 31.483 29.700 -0.197 0.000 1.148 392 E HN 0.746 nan 8.360 nan 0.000 0.412 393 G N 2.178 110.294 108.800 -1.140 0.000 2.559 393 G HA2 0.023 3.984 3.960 0.002 0.000 0.235 393 G HA3 0.023 3.984 3.960 0.002 0.000 0.235 393 G C 0.267 174.821 174.900 -0.576 0.000 1.266 393 G CA -0.015 44.306 45.100 -1.298 0.000 0.847 393 G HN 0.504 nan 8.290 nan 0.000 0.583 394 Q N 0.609 120.094 119.800 -0.526 0.000 2.248 394 Q HA 0.137 4.478 4.340 0.002 0.000 0.324 394 Q C -1.456 174.030 176.000 -0.856 0.000 0.867 394 Q CA -0.545 54.899 55.803 -0.597 0.000 1.101 394 Q CB -0.154 28.218 28.738 -0.611 0.000 1.328 394 Q HN 0.618 nan 8.270 nan 0.000 0.408 395 W N -0.168 121.094 121.300 -0.065 0.000 2.950 395 W HA 0.773 5.434 4.660 0.002 0.000 0.340 395 W C 0.744 177.257 176.519 -0.010 0.000 1.139 395 W CA -0.643 56.692 57.345 -0.016 0.000 1.188 395 W CB 1.612 31.084 29.460 0.020 0.000 1.426 395 W HN 0.191 nan 8.180 nan 0.000 0.531 396 A N 1.507 124.491 122.820 0.274 0.000 3.185 396 A HA 0.297 4.618 4.320 0.002 0.000 0.161 396 A C 1.260 178.918 177.584 0.124 0.000 0.867 396 A CA 3.152 55.281 52.037 0.152 0.000 1.131 396 A CB -1.041 18.044 19.000 0.142 0.000 0.830 396 A HN 1.154 nan 8.150 nan 0.000 0.548 397 A N -4.351 118.530 122.820 0.102 0.000 1.649 397 A HA 0.466 4.788 4.320 0.002 0.000 0.176 397 A C 1.150 178.770 177.584 0.060 0.000 1.524 397 A CA 1.152 53.233 52.037 0.073 0.000 1.448 397 A CB -0.174 18.861 19.000 0.059 0.000 1.334 397 A HN 0.760 nan 8.150 nan 0.000 0.693 398 R N -1.547 118.987 120.500 0.057 0.000 3.943 398 R HA -0.226 4.115 4.340 0.002 0.000 0.459 398 R C 0.979 177.306 176.300 0.045 0.000 0.939 398 R CA 1.695 57.825 56.100 0.050 0.000 1.515 398 R CB -1.741 28.590 30.300 0.051 0.000 2.164 398 R HN 1.090 nan 8.270 nan 0.000 0.516 399 S N -1.969 113.757 115.700 0.042 0.000 2.365 399 S HA 0.104 4.575 4.470 0.002 0.000 0.126 399 S C -0.409 174.213 174.600 0.038 0.000 0.626 399 S CA 0.187 58.414 58.200 0.044 0.000 1.493 399 S CB 0.072 63.307 63.200 0.058 0.000 0.946 399 S HN 0.358 nan 8.310 nan 0.000 0.277 400 M N 1.080 120.695 119.600 0.026 0.000 2.721 400 M HA 0.729 5.210 4.480 0.002 0.000 0.271 400 M C -3.016 173.281 176.300 -0.006 0.000 1.259 400 M CA -1.736 53.569 55.300 0.009 0.000 0.835 400 M CB 1.529 34.134 32.600 0.008 0.000 1.689 400 M HN -0.070 nan 8.290 nan 0.000 0.470 401 P HA 0.184 nan 4.420 nan 0.000 0.265 401 P C -2.411 174.860 177.300 -0.048 0.000 1.193 401 P CA -0.632 62.499 63.100 0.052 0.000 0.765 401 P CB -0.058 31.759 31.700 0.196 0.000 0.823 402 P HA -0.124 nan 4.420 nan 0.000 0.221 402 P C 0.497 177.693 177.300 -0.175 0.000 1.145 402 P CA 1.168 64.249 63.100 -0.032 0.000 0.795 402 P CB -0.261 31.519 31.700 0.132 0.000 0.775 403 S N -2.764 112.843 115.700 -0.155 0.000 3.581 403 S HA -0.245 4.226 4.470 0.002 0.000 0.354 403 S C 0.161 174.700 174.600 -0.102 0.000 1.059 403 S CA -0.038 57.973 58.200 -0.314 0.000 1.060 403 S CB -2.507 60.241 63.200 -0.753 0.000 0.908 403 S HN 0.333 nan 8.310 nan 0.000 0.475 404 F N 1.687 121.587 119.950 -0.083 0.000 2.571 404 F HA 0.416 4.945 4.527 0.002 0.000 0.384 404 F C 1.282 177.092 175.800 0.017 0.000 1.058 404 F CA 1.167 59.184 58.000 0.028 0.000 1.200 404 F CB 0.004 39.060 39.000 0.093 0.000 1.077 404 F HN 0.392 nan 8.300 nan 0.000 0.558 405 G N 4.524 113.014 108.800 -0.517 0.000 2.159 405 G HA2 -0.396 3.565 3.960 0.002 0.000 0.227 405 G HA3 -0.396 3.565 3.960 0.002 0.000 0.227 405 G C 0.560 175.373 174.900 -0.145 0.000 0.986 405 G CA 0.250 45.105 45.100 -0.409 0.000 0.651 405 G HN 0.814 nan 8.290 nan 0.000 0.523 406 Y N 2.184 122.386 120.300 -0.163 0.000 2.497 406 Y HA 0.315 4.866 4.550 0.002 0.000 0.292 406 Y C 1.437 177.275 175.900 -0.104 0.000 1.137 406 Y CA 1.894 59.960 58.100 -0.057 0.000 1.285 406 Y CB 0.285 38.840 38.460 0.158 0.000 0.991 406 Y HN 0.772 nan 8.280 nan 0.000 0.556 407 S N 0.274 115.928 115.700 -0.076 0.000 2.533 407 S HA 0.718 5.189 4.470 0.002 0.000 0.271 407 S C -0.943 173.553 174.600 -0.174 0.000 1.143 407 S CA -0.775 57.318 58.200 -0.177 0.000 0.891 407 S CB 1.832 64.922 63.200 -0.184 0.000 1.105 407 S HN 0.259 nan 8.310 nan 0.000 0.468 408 M N 0.227 119.719 119.600 -0.181 0.000 2.605 408 M HA 0.723 5.204 4.480 0.002 0.000 0.281 408 M C -1.766 174.445 176.300 -0.149 0.000 1.166 408 M CA -0.814 54.390 55.300 -0.161 0.000 0.875 408 M CB 1.871 34.387 32.600 -0.140 0.000 1.732 408 M HN 0.684 nan 8.290 nan 0.000 0.504 409 K N 0.649 120.954 120.400 -0.159 0.000 2.501 409 K HA 0.905 5.226 4.320 0.002 0.000 0.252 409 K C -1.422 175.178 176.600 -0.001 0.000 0.934 409 K CA -0.073 56.137 56.287 -0.128 0.000 0.797 409 K CB 2.638 34.986 32.500 -0.254 0.000 1.270 409 K HN 1.075 nan 8.250 nan 0.000 0.431 410 G N 1.056 109.973 108.800 0.195 0.000 2.768 410 G HA2 0.635 4.596 3.960 0.002 0.000 0.297 410 G HA3 0.635 4.596 3.960 0.002 0.000 0.297 410 G C -0.681 174.364 174.900 0.241 0.000 1.430 410 G CA -0.165 45.151 45.100 0.360 0.000 1.030 410 G HN 1.079 nan 8.290 nan 0.000 0.553 411 A N 0.668 123.586 122.820 0.163 0.000 2.410 411 A HA 0.415 4.736 4.320 0.002 0.000 0.220 411 A C 0.450 177.963 177.584 -0.118 0.000 2.887 411 A CA 1.069 53.124 52.037 0.030 0.000 1.569 411 A CB -0.772 18.270 19.000 0.069 0.000 0.172 411 A HN 2.203 nan 8.150 nan 0.000 0.550 412 T N -1.476 112.863 114.554 -0.359 0.000 2.881 412 T HA 0.548 4.899 4.350 0.002 0.000 0.290 412 T C -1.168 173.173 174.700 -0.599 0.000 1.000 412 T CA 0.107 61.867 62.100 -0.567 0.000 0.978 412 T CB 1.805 70.178 68.868 -0.824 0.000 0.997 412 T HN 0.268 nan 8.240 nan 0.000 0.443 413 D N 3.051 123.221 120.400 -0.382 0.000 2.435 413 D HA 0.087 4.728 4.640 0.002 0.000 0.230 413 D C 0.798 176.864 176.300 -0.391 0.000 1.215 413 D CA -0.811 53.005 54.000 -0.308 0.000 0.947 413 D CB -0.089 40.590 40.800 -0.202 0.000 1.048 413 D HN 0.651 nan 8.370 nan 0.000 0.512 414 I N 2.365 122.630 120.570 -0.509 0.000 3.294 414 I HA -0.102 4.070 4.170 0.002 0.000 0.287 414 I C 0.010 175.727 176.117 -0.667 0.000 1.328 414 I CA 0.553 61.498 61.300 -0.591 0.000 1.375 414 I CB -0.174 37.424 38.000 -0.670 0.000 1.045 414 I HN 0.483 nan 8.210 nan 0.000 0.522 415 D N -2.246 117.888 120.400 -0.443 0.000 3.236 415 D HA 0.128 4.769 4.640 0.002 0.000 0.325 415 D C 0.648 176.903 176.300 -0.074 0.000 1.352 415 D CA -0.548 53.313 54.000 -0.232 0.000 0.979 415 D CB 0.430 41.082 40.800 -0.247 0.000 1.410 415 D HN -0.327 nan 8.370 nan 0.000 0.588 416 K N 0.700 121.118 120.400 0.030 0.000 1.970 416 K HA -0.076 4.245 4.320 0.002 0.000 0.225 416 K C 0.322 176.918 176.600 -0.007 0.000 1.045 416 K CA 1.679 57.981 56.287 0.026 0.000 1.002 416 K CB -1.575 30.967 32.500 0.070 0.000 0.743 416 K HN 0.734 nan 8.250 nan 0.000 0.445 417 N N 0.716 119.435 118.700 0.031 0.000 2.030 417 N HA -0.071 4.670 4.740 0.002 0.000 0.292 417 N C 0.454 175.942 175.510 -0.036 0.000 1.315 417 N CA 0.591 53.673 53.050 0.053 0.000 0.810 417 N CB 0.311 38.899 38.487 0.168 0.000 1.048 417 N HN 0.346 nan 8.380 nan 0.000 0.492 418 G N 1.926 110.608 108.800 -0.196 0.000 3.211 418 G HA2 0.006 3.968 3.960 0.002 0.000 0.235 418 G HA3 0.006 3.968 3.960 0.002 0.000 0.235 418 G C -0.986 173.541 174.900 -0.623 0.000 1.032 418 G CA -0.066 44.808 45.100 -0.376 0.000 1.819 418 G HN 0.696 nan 8.290 nan 0.000 0.590 419 Y N -0.997 119.254 120.300 -0.082 0.000 2.421 419 Y HA 0.337 4.888 4.550 0.002 0.000 0.339 419 Y C -2.280 173.554 175.900 -0.111 0.000 0.996 419 Y CA -2.515 55.532 58.100 -0.088 0.000 1.046 419 Y CB 2.664 41.076 38.460 -0.081 0.000 1.226 419 Y HN 0.011 nan 8.280 nan 0.000 0.445 420 P HA 0.064 nan 4.420 nan 0.000 0.268 420 P C -0.919 176.375 177.300 -0.010 0.000 1.205 420 P CA 0.220 63.298 63.100 -0.037 0.000 0.771 420 P CB 0.872 32.564 31.700 -0.013 0.000 0.858 421 D N 1.099 121.471 120.400 -0.045 0.000 2.588 421 D HA 0.642 5.283 4.640 0.002 0.000 0.268 421 D C -0.505 175.924 176.300 0.214 0.000 1.176 421 D CA -0.264 53.771 54.000 0.059 0.000 1.080 421 D CB 0.651 41.451 40.800 0.000 0.000 1.186 421 D HN 0.141 nan 8.370 nan 0.000 0.619 422 L N 0.146 121.532 121.223 0.272 0.000 2.482 422 L HA 0.489 4.830 4.340 0.002 0.000 0.263 422 L C -1.550 175.458 176.870 0.230 0.000 0.957 422 L CA -0.560 54.438 54.840 0.264 0.000 0.836 422 L CB 1.718 43.885 42.059 0.179 0.000 1.324 422 L HN 0.281 nan 8.230 nan 0.000 0.406 423 I N 4.880 125.484 120.570 0.057 0.000 2.382 423 I HA 0.413 4.584 4.170 0.002 0.000 0.286 423 I C -0.610 175.483 176.117 -0.039 0.000 1.002 423 I CA -0.764 60.523 61.300 -0.023 0.000 1.135 423 I CB 1.758 39.604 38.000 -0.258 0.000 1.288 423 I HN 0.167 nan 8.210 nan 0.000 0.448 424 V N 4.709 124.641 119.914 0.030 0.000 2.547 424 V HA 0.727 4.848 4.120 0.002 0.000 0.299 424 V C 0.558 176.591 176.094 -0.101 0.000 1.040 424 V CA -0.523 61.711 62.300 -0.110 0.000 0.913 424 V CB 1.676 33.360 31.823 -0.231 0.000 0.992 424 V HN 0.870 nan 8.190 nan 0.000 0.449 425 G N 2.162 110.876 108.800 -0.142 0.000 2.530 425 G HA2 0.661 4.622 3.960 0.002 0.000 0.316 425 G HA3 0.661 4.622 3.960 0.002 0.000 0.316 425 G C -0.652 174.265 174.900 0.029 0.000 1.298 425 G CA -0.434 44.640 45.100 -0.044 0.000 0.948 425 G HN 1.111 nan 8.290 nan 0.000 0.486 426 A N 2.486 125.377 122.820 0.118 0.000 2.536 426 A HA 0.520 4.841 4.320 0.002 0.000 0.329 426 A C 0.488 178.139 177.584 0.112 0.000 1.321 426 A CA -0.797 51.317 52.037 0.128 0.000 0.804 426 A CB -0.144 19.011 19.000 0.258 0.000 1.126 426 A HN 1.199 nan 8.150 nan 0.000 0.480 427 F N 0.693 120.657 119.950 0.023 0.000 2.604 427 F HA 0.194 4.723 4.527 0.002 0.000 0.298 427 F C 1.486 177.227 175.800 -0.099 0.000 1.131 427 F CA 0.803 58.796 58.000 -0.013 0.000 1.457 427 F CB -0.175 38.820 39.000 -0.007 0.000 1.095 427 F HN 0.400 nan 8.300 nan 0.000 0.574 428 G N 0.806 109.336 108.800 -0.449 0.000 2.679 428 G HA2 0.027 3.988 3.960 0.002 0.000 0.212 428 G HA3 0.027 3.988 3.960 0.002 0.000 0.212 428 G C 1.180 176.035 174.900 -0.074 0.000 1.137 428 G CA 1.074 45.991 45.100 -0.304 0.000 0.787 428 G HN 0.527 nan 8.290 nan 0.000 0.534 429 V N -4.216 115.680 119.914 -0.030 0.000 3.451 429 V HA 0.261 4.382 4.120 0.002 0.000 0.288 429 V C -0.049 176.026 176.094 -0.031 0.000 1.502 429 V CA 0.172 62.452 62.300 -0.033 0.000 1.026 429 V CB 0.195 31.974 31.823 -0.073 0.000 0.840 429 V HN 0.112 nan 8.190 nan 0.000 0.437 430 D N 1.160 121.612 120.400 0.086 0.000 2.800 430 D HA -0.121 4.520 4.640 0.002 0.000 0.248 430 D C 0.145 176.628 176.300 0.306 0.000 1.091 430 D CA 0.892 55.031 54.000 0.232 0.000 0.746 430 D CB -0.806 40.087 40.800 0.154 0.000 1.062 430 D HN 0.708 nan 8.370 nan 0.000 0.431 431 R N -0.555 120.141 120.500 0.328 0.000 2.781 431 R HA 0.902 5.243 4.340 0.002 0.000 0.269 431 R C -1.054 175.421 176.300 0.292 0.000 1.025 431 R CA -0.823 55.477 56.100 0.333 0.000 0.914 431 R CB 2.041 32.263 30.300 -0.131 0.000 1.236 431 R HN 0.113 nan 8.270 nan 0.000 0.465 432 A N 1.671 124.696 122.820 0.341 0.000 2.459 432 A HA 0.600 4.921 4.320 0.002 0.000 0.296 432 A C -1.335 176.428 177.584 0.298 0.000 1.039 432 A CA -0.650 51.511 52.037 0.207 0.000 0.698 432 A CB 1.282 20.302 19.000 0.033 0.000 1.261 432 A HN 0.394 nan 8.150 nan 0.000 0.405 433 I N 3.197 123.891 120.570 0.208 0.000 2.378 433 I HA 0.341 4.512 4.170 0.002 0.000 0.291 433 I C -0.456 175.683 176.117 0.036 0.000 0.992 433 I CA -0.635 60.726 61.300 0.101 0.000 1.154 433 I CB 1.522 39.510 38.000 -0.021 0.000 1.315 433 I HN 0.598 nan 8.210 nan 0.000 0.448 434 L N 7.968 129.245 121.223 0.089 0.000 2.272 434 L HA 0.422 4.763 4.340 0.002 0.000 0.289 434 L C -1.540 175.337 176.870 0.011 0.000 1.032 434 L CA -0.366 54.570 54.840 0.159 0.000 0.810 434 L CB 0.756 43.047 42.059 0.387 0.000 1.205 434 L HN 0.449 nan 8.230 nan 0.000 0.422 435 Y N 4.879 125.276 120.300 0.162 0.000 2.328 435 Y HA 0.440 4.991 4.550 0.002 0.000 0.337 435 Y C 0.269 176.218 175.900 0.083 0.000 0.966 435 Y CA -0.683 57.491 58.100 0.123 0.000 1.136 435 Y CB 1.382 39.907 38.460 0.108 0.000 1.170 435 Y HN 0.501 nan 8.280 nan 0.000 0.470 436 R N 2.146 122.772 120.500 0.210 0.000 2.357 436 R HA 0.621 4.962 4.340 0.002 0.000 0.296 436 R C -0.223 176.119 176.300 0.071 0.000 1.052 436 R CA -0.676 55.487 56.100 0.105 0.000 0.988 436 R CB 0.899 31.257 30.300 0.096 0.000 1.025 436 R HN 0.712 nan 8.270 nan 0.000 0.469 437 A N 3.536 126.372 122.820 0.026 0.000 2.440 437 A HA 0.195 4.517 4.320 0.002 0.000 0.251 437 A C -0.002 177.527 177.584 -0.092 0.000 1.089 437 A CA -0.216 51.792 52.037 -0.048 0.000 0.779 437 A CB 0.324 19.306 19.000 -0.030 0.000 1.022 437 A HN 0.690 nan 8.150 nan 0.000 0.492 438 R N 1.950 122.328 120.500 -0.204 0.000 2.486 438 R HA 0.400 4.741 4.340 0.002 0.000 0.286 438 R C -2.696 173.325 176.300 -0.466 0.000 0.999 438 R CA -1.690 54.288 56.100 -0.203 0.000 0.993 438 R CB 0.791 31.013 30.300 -0.130 0.000 1.084 438 R HN 0.431 nan 8.270 nan 0.000 0.487 439 P HA 0.017 nan 4.420 nan 0.000 0.271 439 P C -0.922 176.271 177.300 -0.178 0.000 1.226 439 P CA -0.072 62.898 63.100 -0.217 0.000 0.765 439 P CB 0.706 32.484 31.700 0.130 0.000 0.835 440 V N 5.900 125.695 119.914 -0.199 0.000 2.348 440 V HA 0.262 4.383 4.120 0.002 0.000 0.270 440 V C 0.611 176.788 176.094 0.138 0.000 1.037 440 V CA -0.452 61.853 62.300 0.009 0.000 0.872 440 V CB 0.278 32.119 31.823 0.029 0.000 1.002 440 V HN 0.396 nan 8.190 nan 0.000 0.464 441 I N 2.613 123.267 120.570 0.140 0.000 2.336 441 I HA 0.681 4.853 4.170 0.002 0.000 0.292 441 I C 0.385 176.601 176.117 0.166 0.000 0.991 441 I CA -0.299 61.094 61.300 0.156 0.000 1.227 441 I CB 1.781 39.878 38.000 0.162 0.000 1.366 441 I HN 0.616 nan 8.210 nan 0.000 0.466 442 T N 3.843 118.489 114.554 0.154 0.000 2.743 442 T HA 0.546 4.897 4.350 0.002 0.000 0.292 442 T C -0.504 174.278 174.700 0.135 0.000 0.972 442 T CA -0.657 61.529 62.100 0.143 0.000 0.967 442 T CB 1.374 70.318 68.868 0.127 0.000 0.926 442 T HN 0.586 nan 8.240 nan 0.000 0.459 443 V N 3.576 123.587 119.914 0.162 0.000 2.513 443 V HA 0.614 4.735 4.120 0.002 0.000 0.299 443 V C -0.986 175.154 176.094 0.077 0.000 1.035 443 V CA -0.912 61.460 62.300 0.120 0.000 0.889 443 V CB 1.762 33.717 31.823 0.221 0.000 0.988 443 V HN 0.979 nan 8.190 nan 0.000 0.440 444 N N 4.456 123.146 118.700 -0.016 0.000 2.421 444 N HA 0.741 5.482 4.740 0.002 0.000 0.285 444 N C -0.231 175.219 175.510 -0.101 0.000 1.027 444 N CA 0.078 53.117 53.050 -0.018 0.000 0.918 444 N CB 1.814 40.291 38.487 -0.016 0.000 1.152 444 N HN 0.972 nan 8.380 nan 0.000 0.485 445 A N 0.963 123.769 122.820 -0.025 0.000 2.286 445 A HA 0.842 5.163 4.320 0.002 0.000 0.286 445 A C 0.303 177.875 177.584 -0.020 0.000 1.097 445 A CA -0.355 51.652 52.037 -0.050 0.000 0.821 445 A CB 0.494 19.595 19.000 0.168 0.000 1.076 445 A HN 0.607 nan 8.150 nan 0.000 0.490 446 G N -0.708 108.083 108.800 -0.015 0.000 2.740 446 G HA2 0.613 4.574 3.960 0.002 0.000 0.296 446 G HA3 0.613 4.574 3.960 0.002 0.000 0.296 446 G C -1.851 173.086 174.900 0.061 0.000 1.439 446 G CA -0.294 44.813 45.100 0.011 0.000 1.066 446 G HN 1.360 nan 8.290 nan 0.000 0.527 447 L N 1.054 122.314 121.223 0.061 0.000 2.710 447 L HA 0.662 5.003 4.340 0.002 0.000 0.262 447 L C -1.537 175.365 176.870 0.053 0.000 0.940 447 L CA -0.391 54.495 54.840 0.078 0.000 0.944 447 L CB 1.918 44.017 42.059 0.067 0.000 1.348 447 L HN 0.506 nan 8.230 nan 0.000 0.425 448 E N 3.577 123.799 120.200 0.038 0.000 2.321 448 E HA 0.399 4.750 4.350 0.002 0.000 0.281 448 E C -1.602 174.981 176.600 -0.029 0.000 0.910 448 E CA -0.559 55.855 56.400 0.024 0.000 0.770 448 E CB 3.031 32.754 29.700 0.040 0.000 1.225 448 E HN 0.366 nan 8.360 nan 0.000 0.417 449 V N 4.675 124.597 119.914 0.013 0.000 2.439 449 V HA 0.254 4.375 4.120 0.002 0.000 0.282 449 V C 0.588 176.737 176.094 0.090 0.000 1.039 449 V CA -0.005 62.310 62.300 0.025 0.000 0.913 449 V CB 0.535 32.447 31.823 0.150 0.000 0.983 449 V HN 0.749 nan 8.190 nan 0.000 0.460 450 Y N 4.648 125.044 120.300 0.159 0.000 2.009 450 Y HA -0.057 4.495 4.550 0.002 0.000 0.260 450 Y C -0.956 175.018 175.900 0.124 0.000 1.118 450 Y CA 0.916 59.092 58.100 0.127 0.000 1.087 450 Y CB -0.992 37.539 38.460 0.119 0.000 0.970 450 Y HN 0.497 nan 8.280 nan 0.000 0.481 451 P HA 0.117 nan 4.420 nan 0.000 0.281 451 P C -0.349 177.017 177.300 0.109 0.000 1.252 451 P CA 0.461 63.680 63.100 0.199 0.000 0.778 451 P CB 1.709 33.530 31.700 0.202 0.000 0.895 452 S N 1.917 117.661 115.700 0.072 0.000 2.441 452 S HA 0.163 4.634 4.470 0.002 0.000 0.224 452 S C 0.924 175.491 174.600 -0.055 0.000 1.043 452 S CA 0.388 58.597 58.200 0.015 0.000 0.948 452 S CB -0.061 63.178 63.200 0.066 0.000 0.810 452 S HN 0.405 nan 8.310 nan 0.000 0.504 453 I N 3.472 124.036 120.570 -0.010 0.000 2.313 453 I HA 0.216 4.387 4.170 0.002 0.000 0.286 453 I C -0.668 175.434 176.117 -0.024 0.000 1.091 453 I CA -0.266 61.016 61.300 -0.030 0.000 1.216 453 I CB 0.413 38.448 38.000 0.058 0.000 1.434 453 I HN 0.064 nan 8.210 nan 0.000 0.487 454 L N 5.067 126.228 121.223 -0.103 0.000 2.461 454 L HA 0.152 4.493 4.340 0.002 0.000 0.272 454 L C 0.624 177.493 176.870 -0.001 0.000 1.197 454 L CA 0.104 54.897 54.840 -0.079 0.000 0.836 454 L CB 0.084 42.013 42.059 -0.217 0.000 1.105 454 L HN 0.585 nan 8.230 nan 0.000 0.477 455 N N 2.257 120.984 118.700 0.044 0.000 2.511 455 N HA 0.062 4.803 4.740 0.002 0.000 0.249 455 N C 0.681 176.233 175.510 0.070 0.000 0.971 455 N CA -0.341 52.743 53.050 0.056 0.000 0.938 455 N CB 1.416 39.939 38.487 0.059 0.000 1.131 455 N HN 0.600 nan 8.380 nan 0.000 0.505 456 Q N 1.922 121.764 119.800 0.068 0.000 2.065 456 Q HA -0.247 4.094 4.340 0.002 0.000 0.213 456 Q C 0.191 176.230 176.000 0.066 0.000 1.012 456 Q CA 2.108 57.957 55.803 0.077 0.000 0.876 456 Q CB -0.161 28.607 28.738 0.050 0.000 0.954 456 Q HN 0.697 nan 8.270 nan 0.000 0.413 457 D N 0.188 120.616 120.400 0.047 0.000 2.325 457 D HA -0.017 4.624 4.640 0.002 0.000 0.234 457 D C -0.410 175.915 176.300 0.041 0.000 1.122 457 D CA -0.098 53.924 54.000 0.037 0.000 0.850 457 D CB 0.032 40.846 40.800 0.023 0.000 0.921 457 D HN -0.004 nan 8.370 nan 0.000 0.513 458 N N 0.448 119.181 118.700 0.055 0.000 2.457 458 N HA 0.082 4.823 4.740 0.002 0.000 0.250 458 N C -0.017 175.529 175.510 0.061 0.000 0.982 458 N CA -0.320 52.763 53.050 0.056 0.000 0.941 458 N CB 0.892 39.417 38.487 0.063 0.000 1.120 458 N HN -0.017 nan 8.380 nan 0.000 0.505 459 K N 0.613 121.040 120.400 0.045 0.000 2.569 459 K HA -0.015 4.306 4.320 0.002 0.000 0.193 459 K C 1.357 177.979 176.600 0.037 0.000 1.026 459 K CA 0.430 56.739 56.287 0.037 0.000 1.093 459 K CB -0.322 32.191 32.500 0.023 0.000 0.849 459 K HN 0.555 nan 8.250 nan 0.000 0.509 460 T N -1.032 113.553 114.554 0.051 0.000 2.760 460 T HA -0.245 4.106 4.350 0.002 0.000 0.269 460 T C 1.321 176.042 174.700 0.034 0.000 1.047 460 T CA 1.025 63.153 62.100 0.046 0.000 1.139 460 T CB -1.129 67.773 68.868 0.056 0.000 0.855 460 T HN 0.540 nan 8.240 nan 0.000 0.471 461 c N 0.120 118.736 118.600 0.027 0.000 2.712 461 c HA 0.783 5.354 4.570 0.002 0.000 0.308 461 c C 0.013 174.081 174.090 -0.036 0.000 1.201 461 c CA -1.209 55.121 56.329 0.002 0.000 1.554 461 c CB 1.514 44.029 42.510 0.008 0.000 2.117 461 c HN 0.217 nan 8.230 nan 0.000 0.480 462 S N 2.088 117.762 115.700 -0.043 0.000 2.465 462 S HA 0.278 4.750 4.470 0.002 0.000 0.280 462 S C -0.001 174.525 174.600 -0.123 0.000 1.232 462 S CA -0.149 58.011 58.200 -0.067 0.000 1.066 462 S CB -0.062 63.114 63.200 -0.039 0.000 0.929 462 S HN 0.751 nan 8.310 nan 0.000 0.494 463 L N 7.518 128.649 121.223 -0.155 0.000 2.453 463 L HA 0.183 4.524 4.340 0.002 0.000 0.272 463 L C -1.001 175.767 176.870 -0.171 0.000 1.182 463 L CA -1.508 53.196 54.840 -0.227 0.000 0.858 463 L CB 0.815 42.716 42.059 -0.264 0.000 1.120 463 L HN 0.442 nan 8.230 nan 0.000 0.474 464 P HA -0.152 nan 4.420 nan 0.000 0.210 464 P C 1.325 178.591 177.300 -0.057 0.000 1.189 464 P CA 1.851 64.879 63.100 -0.120 0.000 0.920 464 P CB -0.115 31.501 31.700 -0.140 0.000 0.782 465 G N -0.434 108.332 108.800 -0.056 0.000 2.553 465 G HA2 -0.158 3.803 3.960 0.002 0.000 0.218 465 G HA3 -0.158 3.803 3.960 0.002 0.000 0.218 465 G C 0.344 175.225 174.900 -0.031 0.000 1.195 465 G CA 1.408 46.491 45.100 -0.029 0.000 0.779 465 G HN 0.396 nan 8.290 nan 0.000 0.577 466 T N 0.129 114.652 114.554 -0.051 0.000 2.861 466 T HA 0.614 4.965 4.350 0.002 0.000 0.287 466 T C -0.072 174.594 174.700 -0.055 0.000 1.003 466 T CA -0.003 62.072 62.100 -0.042 0.000 0.977 466 T CB 2.022 70.867 68.868 -0.038 0.000 0.996 466 T HN 0.419 nan 8.240 nan 0.000 0.448 467 A N 4.329 127.125 122.820 -0.039 0.000 2.770 467 A HA 0.507 4.828 4.320 0.002 0.000 0.292 467 A C -0.058 177.501 177.584 -0.042 0.000 1.604 467 A CA -0.020 51.993 52.037 -0.039 0.000 1.271 467 A CB -1.073 17.914 19.000 -0.022 0.000 1.075 467 A HN 0.748 nan 8.150 nan 0.000 0.573 468 L N 1.085 122.271 121.223 -0.062 0.000 2.323 468 L HA 0.543 4.884 4.340 0.002 0.000 0.265 468 L C -0.263 176.571 176.870 -0.059 0.000 1.012 468 L CA -1.188 53.618 54.840 -0.057 0.000 0.820 468 L CB 2.030 44.047 42.059 -0.070 0.000 1.334 468 L HN 0.241 nan 8.230 nan 0.000 0.427 469 K N 1.503 121.881 120.400 -0.036 0.000 2.296 469 K HA 0.401 4.722 4.320 0.002 0.000 0.257 469 K C -0.637 175.957 176.600 -0.010 0.000 1.088 469 K CA -0.107 56.167 56.287 -0.021 0.000 0.980 469 K CB 1.187 33.685 32.500 -0.003 0.000 1.430 469 K HN 0.287 nan 8.250 nan 0.000 0.441 470 V N 1.403 121.302 119.914 -0.025 0.000 2.743 470 V HA 0.275 4.396 4.120 0.002 0.000 0.301 470 V C 0.009 176.158 176.094 0.091 0.000 1.057 470 V CA -0.629 61.682 62.300 0.019 0.000 1.006 470 V CB 1.899 33.682 31.823 -0.066 0.000 1.024 470 V HN 0.746 nan 8.190 nan 0.000 0.473 471 S N 5.276 121.065 115.700 0.148 0.000 2.611 471 S HA 0.018 4.489 4.470 0.002 0.000 0.317 471 S C -0.099 174.650 174.600 0.247 0.000 1.208 471 S CA -0.201 58.104 58.200 0.175 0.000 1.217 471 S CB -1.132 62.173 63.200 0.175 0.000 1.085 471 S HN 0.900 nan 8.310 nan 0.000 0.529 472 c N 7.086 125.809 118.600 0.205 0.000 2.463 472 c HA 0.851 5.422 4.570 0.002 0.000 0.380 472 c C -0.356 173.932 174.090 0.329 0.000 1.264 472 c CA -0.664 55.795 56.329 0.217 0.000 2.161 472 c CB -0.894 41.691 42.510 0.125 0.000 2.515 472 c HN 0.847 nan 8.230 nan 0.000 0.565 473 F N 4.430 124.436 119.950 0.093 0.000 2.650 473 F HA 0.546 5.074 4.527 0.002 0.000 0.310 473 F C -0.940 174.926 175.800 0.111 0.000 1.112 473 F CA -0.894 57.164 58.000 0.097 0.000 0.986 473 F CB 0.890 39.920 39.000 0.050 0.000 1.285 473 F HN 0.409 nan 8.300 nan 0.000 0.440 474 N N 1.657 120.468 118.700 0.184 0.000 2.319 474 N HA 0.629 5.370 4.740 0.002 0.000 0.305 474 N C -1.866 173.603 175.510 -0.068 0.000 1.103 474 N CA -0.745 52.329 53.050 0.040 0.000 0.815 474 N CB 2.942 41.581 38.487 0.253 0.000 1.288 474 N HN 0.660 nan 8.380 nan 0.000 0.493 475 V N 2.525 122.389 119.914 -0.082 0.000 2.525 475 V HA 0.476 4.597 4.120 0.002 0.000 0.299 475 V C -0.679 175.441 176.094 0.043 0.000 1.034 475 V CA -0.728 61.548 62.300 -0.039 0.000 0.863 475 V CB 1.193 33.075 31.823 0.099 0.000 0.999 475 V HN 0.731 nan 8.190 nan 0.000 0.423 476 R N 5.526 125.996 120.500 -0.049 0.000 2.664 476 R HA 0.750 5.091 4.340 0.002 0.000 0.286 476 R C -1.480 174.972 176.300 0.253 0.000 0.967 476 R CA -0.640 55.507 56.100 0.077 0.000 0.933 476 R CB 1.817 32.045 30.300 -0.120 0.000 1.146 476 R HN 0.715 nan 8.270 nan 0.000 0.468 477 F N -0.347 119.570 119.950 -0.055 0.000 2.810 477 F HA 0.480 5.008 4.527 0.002 0.000 0.373 477 F C -0.889 174.862 175.800 -0.081 0.000 1.174 477 F CA -1.219 56.749 58.000 -0.053 0.000 1.141 477 F CB 0.408 39.392 39.000 -0.027 0.000 1.420 477 F HN 0.333 nan 8.300 nan 0.000 0.518 478 c N 2.877 121.426 118.600 -0.086 0.000 2.580 478 c HA 0.738 5.309 4.570 0.002 0.000 0.371 478 c C -0.109 173.876 174.090 -0.175 0.000 1.308 478 c CA -0.386 55.846 56.329 -0.162 0.000 2.428 478 c CB 1.293 43.736 42.510 -0.111 0.000 2.529 478 c HN 0.851 nan 8.230 nan 0.000 0.657 479 L N 2.518 123.597 121.223 -0.240 0.000 2.737 479 L HA 0.371 4.712 4.340 0.002 0.000 0.261 479 L C -0.575 176.097 176.870 -0.330 0.000 0.949 479 L CA -0.135 54.502 54.840 -0.339 0.000 0.952 479 L CB 0.699 42.455 42.059 -0.506 0.000 1.337 479 L HN 0.814 nan 8.230 nan 0.000 0.430 480 K N 4.176 124.427 120.400 -0.249 0.000 2.182 480 K HA 0.997 5.318 4.320 0.002 0.000 0.262 480 K C -1.216 175.289 176.600 -0.159 0.000 0.957 480 K CA -0.498 55.681 56.287 -0.181 0.000 0.842 480 K CB 2.273 34.713 32.500 -0.100 0.000 1.099 480 K HN 0.569 nan 8.250 nan 0.000 0.438 481 A N 2.307 125.060 122.820 -0.111 0.000 2.386 481 A HA 0.462 4.783 4.320 0.002 0.000 0.311 481 A C -1.765 175.841 177.584 0.038 0.000 1.068 481 A CA -0.710 51.323 52.037 -0.007 0.000 0.743 481 A CB 1.722 20.758 19.000 0.060 0.000 1.258 481 A HN 0.877 nan 8.150 nan 0.000 0.429 482 D N 0.885 121.328 120.400 0.072 0.000 2.757 482 D HA 0.581 5.222 4.640 0.002 0.000 0.249 482 D C 0.374 176.733 176.300 0.099 0.000 1.168 482 D CA 0.355 54.397 54.000 0.071 0.000 0.870 482 D CB 1.662 42.496 40.800 0.057 0.000 1.411 482 D HN 0.720 nan 8.370 nan 0.000 0.525 483 G N 1.799 110.655 108.800 0.094 0.000 2.568 483 G HA2 0.598 4.559 3.960 0.002 0.000 0.293 483 G HA3 0.598 4.559 3.960 0.002 0.000 0.293 483 G C -0.948 174.017 174.900 0.108 0.000 1.347 483 G CA -0.584 44.585 45.100 0.114 0.000 1.039 483 G HN 0.442 nan 8.290 nan 0.000 0.523 484 K N -1.048 119.433 120.400 0.135 0.000 2.670 484 K HA 0.541 4.862 4.320 0.002 0.000 0.274 484 K C -0.001 176.623 176.600 0.039 0.000 1.068 484 K CA 0.745 57.085 56.287 0.089 0.000 0.967 484 K CB 0.702 33.282 32.500 0.133 0.000 1.297 484 K HN 1.847 nan 8.250 nan 0.000 0.477 485 G N 0.847 109.614 108.800 -0.056 0.000 2.443 485 G HA2 -0.138 3.823 3.960 0.002 0.000 0.209 485 G HA3 -0.138 3.823 3.960 0.002 0.000 0.209 485 G C -1.464 173.435 174.900 -0.002 0.000 1.176 485 G CA -0.501 44.527 45.100 -0.119 0.000 1.074 485 G HN 0.677 nan 8.290 nan 0.000 0.577 486 V N 2.488 122.428 119.914 0.042 0.000 2.334 486 V HA 0.629 4.750 4.120 0.002 0.000 0.267 486 V C 1.281 177.430 176.094 0.092 0.000 1.040 486 V CA 1.029 63.364 62.300 0.059 0.000 0.866 486 V CB 0.154 32.009 31.823 0.053 0.000 1.019 486 V HN 1.600 nan 8.190 nan 0.000 0.468 487 L N 2.059 123.329 121.223 0.077 0.000 1.355 487 L HA 0.250 4.591 4.340 0.002 0.000 0.124 487 L C -1.441 175.472 176.870 0.072 0.000 1.354 487 L CA -0.242 54.647 54.840 0.082 0.000 1.228 487 L CB -1.146 40.976 42.059 0.104 0.000 2.529 487 L HN 0.430 nan 8.230 nan 0.000 0.476 488 P HA -0.284 nan 4.420 nan 0.000 0.247 488 P C 0.762 178.097 177.300 0.058 0.000 0.823 488 P CA 2.763 65.901 63.100 0.063 0.000 1.117 488 P CB -0.188 31.540 31.700 0.047 0.000 0.754 489 R N 0.167 120.692 120.500 0.043 0.000 2.431 489 R HA -0.247 4.094 4.340 0.002 0.000 0.236 489 R C 1.137 177.462 176.300 0.042 0.000 0.999 489 R CA 2.439 58.561 56.100 0.036 0.000 0.876 489 R CB -2.365 27.950 30.300 0.025 0.000 0.940 489 R HN 0.614 nan 8.270 nan 0.000 0.433 490 K N 1.582 122.010 120.400 0.048 0.000 2.319 490 K HA 0.365 4.686 4.320 0.002 0.000 0.237 490 K C -0.346 176.300 176.600 0.077 0.000 1.113 490 K CA -0.206 56.112 56.287 0.052 0.000 1.072 490 K CB 0.333 32.855 32.500 0.037 0.000 1.734 490 K HN 0.049 nan 8.250 nan 0.000 0.429 491 L N 4.257 125.548 121.223 0.114 0.000 2.328 491 L HA 0.149 4.490 4.340 0.002 0.000 0.280 491 L C -0.536 176.507 176.870 0.287 0.000 1.111 491 L CA -0.793 54.173 54.840 0.211 0.000 0.909 491 L CB -0.172 42.077 42.059 0.317 0.000 1.277 491 L HN 0.665 nan 8.230 nan 0.000 0.433 492 N N 2.801 121.603 118.700 0.170 0.000 2.422 492 N HA 0.404 5.145 4.740 0.002 0.000 0.264 492 N C -0.870 174.718 175.510 0.130 0.000 1.063 492 N CA -0.180 52.959 53.050 0.149 0.000 0.959 492 N CB 0.854 39.359 38.487 0.031 0.000 1.087 492 N HN 0.076 nan 8.380 nan 0.000 0.483 493 F N -0.065 119.894 119.950 0.015 0.000 2.585 493 F HA 0.492 5.020 4.527 0.002 0.000 0.350 493 F C 0.700 176.529 175.800 0.047 0.000 1.074 493 F CA -0.658 57.366 58.000 0.040 0.000 1.032 493 F CB 1.489 40.506 39.000 0.029 0.000 1.330 493 F HN 0.298 nan 8.300 nan 0.000 0.495 494 Q N 1.431 121.397 119.800 0.277 0.000 3.180 494 Q HA 0.198 4.540 4.340 0.002 0.000 0.317 494 Q C -0.888 175.234 176.000 0.203 0.000 0.824 494 Q CA -0.170 55.734 55.803 0.168 0.000 0.926 494 Q CB 1.509 30.294 28.738 0.078 0.000 1.487 494 Q HN 0.497 nan 8.270 nan 0.000 0.389 495 V N 1.333 121.397 119.914 0.251 0.000 2.843 495 V HA 0.287 4.409 4.120 0.002 0.000 0.305 495 V C -0.371 175.764 176.094 0.069 0.000 1.065 495 V CA 0.327 62.770 62.300 0.237 0.000 1.116 495 V CB 1.591 33.591 31.823 0.294 0.000 0.968 495 V HN 0.555 nan 8.190 nan 0.000 0.487 496 E N 4.538 124.742 120.200 0.006 0.000 2.263 496 E HA 0.580 4.931 4.350 0.002 0.000 0.268 496 E C -1.899 174.649 176.600 -0.086 0.000 0.884 496 E CA -0.512 55.851 56.400 -0.061 0.000 0.766 496 E CB 1.598 31.301 29.700 0.003 0.000 1.196 496 E HN 0.643 nan 8.360 nan 0.000 0.416 497 L N 4.272 125.442 121.223 -0.087 0.000 2.307 497 L HA 0.548 4.889 4.340 0.002 0.000 0.284 497 L C -0.704 176.285 176.870 0.197 0.000 1.023 497 L CA -0.429 54.419 54.840 0.014 0.000 0.810 497 L CB 1.246 43.301 42.059 -0.006 0.000 1.231 497 L HN 0.569 nan 8.230 nan 0.000 0.423 498 L N 4.599 125.936 121.223 0.190 0.000 2.356 498 L HA 0.554 4.895 4.340 0.002 0.000 0.277 498 L C -0.844 176.059 176.870 0.055 0.000 0.996 498 L CA -0.557 54.377 54.840 0.157 0.000 0.822 498 L CB 1.714 43.895 42.059 0.203 0.000 1.256 498 L HN 0.432 nan 8.230 nan 0.000 0.413 499 L N 2.968 124.152 121.223 -0.065 0.000 2.275 499 L HA 0.352 4.694 4.340 0.002 0.000 0.288 499 L C -0.147 176.641 176.870 -0.137 0.000 1.046 499 L CA -0.471 54.279 54.840 -0.152 0.000 0.805 499 L CB 0.969 42.826 42.059 -0.337 0.000 1.193 499 L HN 0.605 nan 8.230 nan 0.000 0.426 500 D N 1.983 122.304 120.400 -0.133 0.000 3.205 500 D HA -0.198 4.443 4.640 0.002 0.000 0.227 500 D C 0.643 176.871 176.300 -0.121 0.000 1.171 500 D CA 0.615 54.526 54.000 -0.148 0.000 0.929 500 D CB 0.083 40.765 40.800 -0.196 0.000 0.900 500 D HN 0.505 nan 8.370 nan 0.000 0.404 501 K N 1.976 122.315 120.400 -0.102 0.000 2.400 501 K HA 0.231 4.552 4.320 0.002 0.000 0.194 501 K C 1.921 178.451 176.600 -0.116 0.000 1.033 501 K CA 0.253 56.471 56.287 -0.116 0.000 1.021 501 K CB -0.027 32.383 32.500 -0.150 0.000 0.808 501 K HN 0.584 nan 8.250 nan 0.000 0.505 502 L N 0.578 121.740 121.223 -0.101 0.000 2.450 502 L HA -0.075 4.266 4.340 0.002 0.000 0.224 502 L C 0.214 177.038 176.870 -0.077 0.000 1.149 502 L CA 0.680 55.469 54.840 -0.084 0.000 0.816 502 L CB -0.194 41.822 42.059 -0.073 0.000 0.932 502 L HN -0.052 nan 8.230 nan 0.000 0.449 503 K N 1.526 121.874 120.400 -0.086 0.000 2.231 503 K HA 0.184 4.505 4.320 0.002 0.000 0.275 503 K C 0.501 177.058 176.600 -0.072 0.000 1.105 503 K CA 0.050 56.292 56.287 -0.075 0.000 0.931 503 K CB 0.904 33.352 32.500 -0.087 0.000 1.296 503 K HN 0.282 nan 8.250 nan 0.000 0.446 504 Q N 1.899 121.662 119.800 -0.061 0.000 0.771 504 Q HA -0.021 4.320 4.340 0.002 0.000 0.881 504 Q C 1.135 177.106 176.000 -0.049 0.000 0.861 504 Q CA 0.753 56.521 55.803 -0.059 0.000 0.879 504 Q CB 0.055 28.764 28.738 -0.049 0.000 1.248 504 Q HN 0.254 nan 8.270 nan 0.000 0.173 505 K N 0.277 120.654 120.400 -0.037 0.000 2.400 505 K HA 0.043 4.364 4.320 0.002 0.000 0.194 505 K C 1.835 178.420 176.600 -0.024 0.000 1.033 505 K CA 0.645 56.915 56.287 -0.029 0.000 1.021 505 K CB -0.107 32.379 32.500 -0.023 0.000 0.808 505 K HN 0.563 nan 8.250 nan 0.000 0.505 506 G N 1.454 110.239 108.800 -0.026 0.000 2.527 506 G HA2 -0.133 3.828 3.960 0.002 0.000 0.219 506 G HA3 -0.133 3.828 3.960 0.002 0.000 0.219 506 G C 0.846 175.733 174.900 -0.020 0.000 1.117 506 G CA 0.742 45.830 45.100 -0.019 0.000 0.759 506 G HN 0.287 nan 8.290 nan 0.000 0.556 507 A N -0.615 122.187 122.820 -0.030 0.000 2.771 507 A HA -0.205 4.116 4.320 0.002 0.000 0.294 507 A C 1.138 178.697 177.584 -0.041 0.000 1.500 507 A CA 1.236 53.253 52.037 -0.034 0.000 0.829 507 A CB -2.015 16.973 19.000 -0.020 0.000 0.998 507 A HN 0.630 nan 8.150 nan 0.000 0.526 508 I N 0.490 121.029 120.570 -0.052 0.000 3.832 508 I HA 0.040 4.211 4.170 0.002 0.000 0.324 508 I C 0.811 176.843 176.117 -0.142 0.000 1.447 508 I CA -0.529 60.732 61.300 -0.065 0.000 1.242 508 I CB -0.227 37.752 38.000 -0.035 0.000 1.212 508 I HN 0.208 nan 8.210 nan 0.000 0.415 509 R N 2.058 122.475 120.500 -0.139 0.000 2.637 509 R HA -0.020 4.321 4.340 0.002 0.000 0.331 509 R C 1.079 177.209 176.300 -0.283 0.000 1.166 509 R CA 0.238 56.228 56.100 -0.184 0.000 0.993 509 R CB -0.334 29.879 30.300 -0.144 0.000 1.012 509 R HN 0.433 nan 8.270 nan 0.000 0.461 510 R N 1.010 121.281 120.500 -0.382 0.000 2.148 510 R HA -0.025 4.316 4.340 0.002 0.000 0.227 510 R C 0.741 176.724 176.300 -0.527 0.000 1.103 510 R CA 1.450 57.165 56.100 -0.643 0.000 0.983 510 R CB 0.229 30.081 30.300 -0.746 0.000 0.874 510 R HN 0.491 nan 8.270 nan 0.000 0.451 511 A N 0.693 123.287 122.820 -0.376 0.000 2.324 511 A HA 0.668 4.989 4.320 0.002 0.000 0.330 511 A C -0.772 176.548 177.584 -0.440 0.000 1.165 511 A CA -0.555 51.292 52.037 -0.317 0.000 0.813 511 A CB 0.884 19.817 19.000 -0.111 0.000 1.197 511 A HN 0.094 nan 8.150 nan 0.000 0.484 512 L N 0.595 121.427 121.223 -0.652 0.000 2.415 512 L HA 0.502 4.843 4.340 0.002 0.000 0.256 512 L C -1.126 175.427 176.870 -0.529 0.000 1.010 512 L CA -0.483 53.981 54.840 -0.627 0.000 0.826 512 L CB 2.147 43.811 42.059 -0.658 0.000 1.405 512 L HN 0.733 nan 8.230 nan 0.000 0.410 513 F N 1.640 121.501 119.950 -0.149 0.000 2.427 513 F HA 0.120 4.648 4.527 0.002 0.000 0.352 513 F C 1.180 176.994 175.800 0.023 0.000 1.100 513 F CA -0.539 57.413 58.000 -0.082 0.000 1.191 513 F CB 1.025 39.990 39.000 -0.058 0.000 1.128 513 F HN 0.367 nan 8.300 nan 0.000 0.533 514 L N 4.061 125.419 121.223 0.226 0.000 1.958 514 L HA -0.313 4.029 4.340 0.002 0.000 0.238 514 L C 1.903 178.720 176.870 -0.088 0.000 1.092 514 L CA 2.154 56.988 54.840 -0.010 0.000 0.826 514 L CB -1.010 40.877 42.059 -0.287 0.000 0.909 514 L HN 0.636 nan 8.230 nan 0.000 0.436 515 Y N -0.474 119.859 120.300 0.054 0.000 2.738 515 Y HA -0.109 4.442 4.550 0.002 0.000 0.293 515 Y C 1.433 177.359 175.900 0.044 0.000 1.156 515 Y CA 0.990 59.106 58.100 0.026 0.000 1.410 515 Y CB -0.258 38.194 38.460 -0.013 0.000 0.966 515 Y HN 0.296 nan 8.280 nan 0.000 0.568 516 S N -0.035 115.768 115.700 0.173 0.000 2.479 516 S HA 0.359 4.830 4.470 0.002 0.000 0.169 516 S C -0.827 173.881 174.600 0.181 0.000 1.181 516 S CA -0.999 57.295 58.200 0.157 0.000 1.169 516 S CB -0.163 63.125 63.200 0.148 0.000 1.384 516 S HN 0.138 nan 8.310 nan 0.000 0.412 517 R N 2.301 122.904 120.500 0.172 0.000 3.716 517 R HA 0.249 4.590 4.340 0.002 0.000 0.303 517 R C 0.030 176.414 176.300 0.140 0.000 0.831 517 R CA 0.448 56.668 56.100 0.200 0.000 0.969 517 R CB -0.698 29.723 30.300 0.201 0.000 0.957 517 R HN 0.382 nan 8.270 nan 0.000 0.374 518 S N 1.759 117.545 115.700 0.144 0.000 2.543 518 S HA 0.448 4.919 4.470 0.002 0.000 0.274 518 S C -2.466 172.203 174.600 0.115 0.000 1.149 518 S CA -1.224 57.048 58.200 0.120 0.000 0.866 518 S CB 1.640 64.937 63.200 0.161 0.000 1.111 518 S HN 0.322 nan 8.310 nan 0.000 0.457 519 P HA 0.243 nan 4.420 nan 0.000 0.261 519 P C -0.408 176.948 177.300 0.094 0.000 1.268 519 P CA -0.097 62.957 63.100 -0.076 0.000 0.833 519 P CB 0.183 31.817 31.700 -0.109 0.000 1.231 520 S N 0.598 116.428 115.700 0.217 0.000 2.542 520 S HA 0.237 4.708 4.470 0.002 0.000 0.245 520 S C -0.639 174.118 174.600 0.262 0.000 1.325 520 S CA -0.461 57.870 58.200 0.219 0.000 1.176 520 S CB 0.039 63.303 63.200 0.107 0.000 1.045 520 S HN 0.214 nan 8.310 nan 0.000 0.481 521 H N 2.209 121.407 119.070 0.213 0.000 2.489 521 H HA 0.605 5.162 4.556 0.002 0.000 0.343 521 H C -0.694 174.566 175.328 -0.113 0.000 1.086 521 H CA -0.406 55.590 56.048 -0.086 0.000 1.198 521 H CB 1.480 30.850 29.762 -0.654 0.000 1.490 521 H HN 0.566 nan 8.280 nan 0.000 0.504 522 S N 4.087 119.296 115.700 -0.819 0.000 2.607 522 S HA 0.646 5.117 4.470 0.002 0.000 0.303 522 S C -0.562 173.641 174.600 -0.661 0.000 1.086 522 S CA -0.983 56.877 58.200 -0.566 0.000 0.995 522 S CB 2.924 65.979 63.200 -0.241 0.000 1.084 522 S HN 0.658 nan 8.310 nan 0.000 0.507 523 K N 0.297 120.547 120.400 -0.251 0.000 2.536 523 K HA 0.574 4.896 4.320 0.002 0.000 0.269 523 K C -1.824 174.804 176.600 0.046 0.000 0.965 523 K CA -0.446 55.812 56.287 -0.048 0.000 0.860 523 K CB 1.336 33.929 32.500 0.156 0.000 1.423 523 K HN 0.696 nan 8.250 nan 0.000 0.438 524 N N 1.497 120.231 118.700 0.057 0.000 2.443 524 N HA 0.640 5.381 4.740 0.002 0.000 0.293 524 N C -0.788 174.770 175.510 0.079 0.000 1.159 524 N CA -0.460 52.631 53.050 0.068 0.000 0.904 524 N CB 1.266 39.774 38.487 0.037 0.000 1.214 524 N HN 0.562 nan 8.380 nan 0.000 0.513 525 M N -0.409 119.250 119.600 0.099 0.000 2.880 525 M HA 0.463 4.944 4.480 0.002 0.000 0.269 525 M C -1.366 174.986 176.300 0.087 0.000 1.248 525 M CA -0.436 54.900 55.300 0.060 0.000 0.821 525 M CB 2.369 34.978 32.600 0.015 0.000 1.650 525 M HN 0.541 nan 8.290 nan 0.000 0.479 526 T N 1.144 115.711 114.554 0.022 0.000 2.792 526 T HA 0.847 5.198 4.350 0.002 0.000 0.303 526 T C -0.903 173.779 174.700 -0.030 0.000 1.310 526 T CA -0.661 61.464 62.100 0.043 0.000 1.007 526 T CB 1.958 70.850 68.868 0.039 0.000 1.335 526 T HN 0.765 nan 8.240 nan 0.000 0.504 527 I N -2.439 118.129 120.570 -0.003 0.000 3.266 527 I HA 0.764 4.935 4.170 0.002 0.000 0.328 527 I C 0.162 176.285 176.117 0.009 0.000 1.404 527 I CA -1.013 60.266 61.300 -0.035 0.000 1.007 527 I CB 0.806 38.740 38.000 -0.109 0.000 1.170 527 I HN 0.732 nan 8.210 nan 0.000 0.425 528 S N -0.806 114.896 115.700 0.005 0.000 6.814 528 S HA 0.234 4.705 4.470 0.002 0.000 0.074 528 S C -0.254 174.360 174.600 0.022 0.000 1.323 528 S CA -0.309 57.907 58.200 0.027 0.000 1.268 528 S CB -0.222 62.990 63.200 0.020 0.000 1.647 528 S HN 0.620 nan 8.310 nan 0.000 0.540 529 R N 0.750 121.253 120.500 0.005 0.000 2.905 529 R HA 0.356 4.697 4.340 0.002 0.000 0.273 529 R C 1.438 177.740 176.300 0.004 0.000 1.033 529 R CA 0.549 56.652 56.100 0.005 0.000 1.182 529 R CB -0.184 30.113 30.300 -0.005 0.000 1.097 529 R HN 0.503 nan 8.270 nan 0.000 0.504 530 G N -0.374 108.431 108.800 0.009 0.000 2.985 530 G HA2 -0.004 3.957 3.960 0.002 0.000 0.209 530 G HA3 -0.004 3.957 3.960 0.002 0.000 0.209 530 G C 0.880 175.779 174.900 -0.001 0.000 1.165 530 G CA 0.403 45.510 45.100 0.012 0.000 0.776 530 G HN 0.696 nan 8.290 nan 0.000 0.541 531 G N -0.576 108.218 108.800 -0.009 0.000 2.815 531 G HA2 0.195 4.156 3.960 0.002 0.000 0.215 531 G HA3 0.195 4.156 3.960 0.002 0.000 0.215 531 G C 0.381 175.265 174.900 -0.028 0.000 1.054 531 G CA -0.243 44.848 45.100 -0.015 0.000 0.832 531 G HN 0.238 nan 8.290 nan 0.000 0.557 532 L N 3.197 124.402 121.223 -0.031 0.000 2.433 532 L HA 0.435 4.776 4.340 0.002 0.000 0.275 532 L C 0.172 177.001 176.870 -0.068 0.000 1.128 532 L CA 0.329 55.144 54.840 -0.042 0.000 0.875 532 L CB 0.245 42.283 42.059 -0.035 0.000 1.171 532 L HN 0.354 nan 8.230 nan 0.000 0.463 533 M N 4.584 124.139 119.600 -0.076 0.000 2.065 533 M HA 0.370 4.851 4.480 0.002 0.000 0.308 533 M C -0.279 175.950 176.300 -0.119 0.000 0.939 533 M CA -0.503 54.732 55.300 -0.108 0.000 0.890 533 M CB 1.072 33.613 32.600 -0.099 0.000 1.383 533 M HN 0.607 nan 8.290 nan 0.000 0.381 534 Q N 1.646 121.365 119.800 -0.136 0.000 2.386 534 Q HA 0.263 4.604 4.340 0.002 0.000 0.282 534 Q C -1.341 174.547 176.000 -0.187 0.000 1.050 534 Q CA 0.249 55.968 55.803 -0.140 0.000 0.918 534 Q CB 1.203 29.860 28.738 -0.135 0.000 1.266 534 Q HN 0.968 nan 8.270 nan 0.000 0.423 535 c N 2.096 120.581 118.600 -0.192 0.000 3.161 535 c HA 0.762 5.334 4.570 0.002 0.000 0.330 535 c C -1.129 172.759 174.090 -0.337 0.000 1.396 535 c CA -0.245 55.923 56.329 -0.267 0.000 1.536 535 c CB 2.193 44.589 42.510 -0.190 0.000 1.978 535 c HN 1.098 nan 8.230 nan 0.000 0.454 536 E N 0.017 119.918 120.200 -0.500 0.000 2.422 536 E HA 0.497 4.848 4.350 0.002 0.000 0.280 536 E C -2.049 174.263 176.600 -0.481 0.000 1.091 536 E CA -0.289 55.805 56.400 -0.510 0.000 0.849 536 E CB 1.951 31.233 29.700 -0.698 0.000 1.353 536 E HN 0.841 nan 8.360 nan 0.000 0.449 537 E N 1.460 121.564 120.200 -0.159 0.000 2.423 537 E HA 0.626 4.977 4.350 0.002 0.000 0.280 537 E C -1.398 175.294 176.600 0.154 0.000 1.030 537 E CA -0.850 55.593 56.400 0.073 0.000 0.812 537 E CB 1.638 31.353 29.700 0.025 0.000 1.313 537 E HN 0.330 nan 8.360 nan 0.000 0.456 538 L N 0.247 121.574 121.223 0.173 0.000 2.322 538 L HA 0.591 4.932 4.340 0.002 0.000 0.252 538 L C -1.221 175.712 176.870 0.104 0.000 1.055 538 L CA -1.337 53.564 54.840 0.102 0.000 0.849 538 L CB 1.906 43.968 42.059 0.004 0.000 1.446 538 L HN 0.530 nan 8.230 nan 0.000 0.416 539 I N 0.902 121.536 120.570 0.107 0.000 2.382 539 I HA 0.719 4.890 4.170 0.002 0.000 0.286 539 I C -0.157 175.947 176.117 -0.021 0.000 1.002 539 I CA -0.420 60.891 61.300 0.019 0.000 1.135 539 I CB 1.557 39.582 38.000 0.043 0.000 1.288 539 I HN 0.458 nan 8.210 nan 0.000 0.448 540 A N 5.641 128.214 122.820 -0.411 0.000 2.350 540 A HA 0.858 5.179 4.320 0.002 0.000 0.324 540 A C -1.019 176.141 177.584 -0.706 0.000 1.118 540 A CA -0.562 51.075 52.037 -0.667 0.000 0.783 540 A CB 0.932 19.248 19.000 -1.139 0.000 1.236 540 A HN 0.702 nan 8.150 nan 0.000 0.457 541 Y N 0.391 120.517 120.300 -0.290 0.000 2.631 541 Y HA 0.813 5.364 4.550 0.002 0.000 0.328 541 Y C -0.990 175.020 175.900 0.183 0.000 1.118 541 Y CA -1.865 56.230 58.100 -0.009 0.000 1.206 541 Y CB 1.112 39.559 38.460 -0.022 0.000 1.337 541 Y HN 0.487 nan 8.280 nan 0.000 0.515 542 L N 4.019 125.451 121.223 0.348 0.000 2.318 542 L HA 0.475 4.816 4.340 0.002 0.000 0.277 542 L C -0.253 176.839 176.870 0.369 0.000 1.008 542 L CA -0.982 53.966 54.840 0.180 0.000 0.846 542 L CB 0.631 42.809 42.059 0.199 0.000 1.220 542 L HN 0.860 nan 8.230 nan 0.000 0.423 543 R N 1.514 122.153 120.500 0.232 0.000 2.740 543 R HA 0.040 4.381 4.340 0.002 0.000 0.263 543 R C -0.238 176.377 176.300 0.525 0.000 0.997 543 R CA -0.452 55.940 56.100 0.487 0.000 1.108 543 R CB -0.003 30.481 30.300 0.308 0.000 0.969 543 R HN 0.541 nan 8.270 nan 0.000 0.431 544 D N 1.759 122.372 120.400 0.355 0.000 2.583 544 D HA -0.106 4.535 4.640 0.002 0.000 0.232 544 D C 1.147 177.506 176.300 0.098 0.000 1.128 544 D CA 0.302 54.425 54.000 0.206 0.000 0.859 544 D CB 0.791 41.656 40.800 0.108 0.000 1.169 544 D HN 0.683 nan 8.370 nan 0.000 0.481 545 E N 1.922 122.072 120.200 -0.083 0.000 2.187 545 E HA -0.303 4.048 4.350 0.002 0.000 0.199 545 E C 1.485 177.795 176.600 -0.483 0.000 1.004 545 E CA 1.539 57.657 56.400 -0.470 0.000 0.813 545 E CB -0.814 28.739 29.700 -0.245 0.000 0.736 545 E HN 0.458 nan 8.360 nan 0.000 0.468 546 S N 1.173 116.749 115.700 -0.207 0.000 2.507 546 S HA -0.130 4.342 4.470 0.002 0.000 0.235 546 S C 1.524 176.068 174.600 -0.094 0.000 0.988 546 S CA 0.974 59.095 58.200 -0.132 0.000 0.944 546 S CB -0.384 62.783 63.200 -0.055 0.000 0.762 546 S HN 0.592 nan 8.310 nan 0.000 0.526 547 E N 0.007 120.171 120.200 -0.061 0.000 2.548 547 E HA 0.366 4.717 4.350 0.002 0.000 0.206 547 E C -0.073 176.644 176.600 0.194 0.000 1.005 547 E CA -0.772 55.678 56.400 0.084 0.000 0.951 547 E CB -0.153 29.648 29.700 0.168 0.000 1.035 547 E HN 0.731 nan 8.360 nan 0.000 0.470 548 F N -1.161 118.794 119.950 0.009 0.000 2.770 548 F HA 0.696 5.224 4.527 0.002 0.000 0.313 548 F C -1.445 174.354 175.800 -0.001 0.000 1.154 548 F CA -1.468 56.532 58.000 0.001 0.000 0.923 548 F CB 1.022 40.018 39.000 -0.006 0.000 1.301 548 F HN -0.186 nan 8.300 nan 0.000 0.449 549 R N 0.473 121.073 120.500 0.165 0.000 2.867 549 R HA 0.619 4.960 4.340 0.002 0.000 0.268 549 R C -0.734 175.689 176.300 0.206 0.000 1.014 549 R CA 0.290 56.431 56.100 0.069 0.000 0.946 549 R CB 1.801 32.117 30.300 0.027 0.000 1.208 549 R HN 0.985 nan 8.270 nan 0.000 0.477 550 D N -0.344 120.136 120.400 0.134 0.000 1.810 550 D HA -0.011 4.630 4.640 0.002 0.000 0.468 550 D C -0.209 176.136 176.300 0.075 0.000 1.071 550 D CA -0.267 53.808 54.000 0.124 0.000 1.103 550 D CB 0.100 41.006 40.800 0.177 0.000 1.846 550 D HN 0.346 nan 8.370 nan 0.000 0.522 551 K N 0.972 121.413 120.400 0.067 0.000 3.160 551 K HA -0.121 4.200 4.320 0.002 0.000 0.280 551 K C -0.132 176.508 176.600 0.068 0.000 1.154 551 K CA 0.661 56.981 56.287 0.055 0.000 0.822 551 K CB -1.537 30.987 32.500 0.040 0.000 1.239 551 K HN 0.572 nan 8.250 nan 0.000 0.489 552 L N -0.540 120.728 121.223 0.075 0.000 2.883 552 L HA -0.203 4.138 4.340 0.002 0.000 0.559 552 L C -1.254 175.656 176.870 0.066 0.000 1.001 552 L CA 2.063 56.949 54.840 0.076 0.000 1.291 552 L CB -0.869 41.260 42.059 0.116 0.000 1.557 552 L HN 0.419 nan 8.230 nan 0.000 0.761 553 T N 6.285 120.855 114.554 0.027 0.000 3.078 553 T HA 0.424 4.776 4.350 0.002 0.000 0.328 553 T C -2.412 172.254 174.700 -0.058 0.000 0.987 553 T CA -1.062 61.041 62.100 0.006 0.000 1.049 553 T CB 1.856 70.720 68.868 -0.008 0.000 1.011 553 T HN 0.400 nan 8.240 nan 0.000 0.463 554 P HA -0.045 nan 4.420 nan 0.000 0.262 554 P C -0.433 176.702 177.300 -0.274 0.000 1.151 554 P CA 0.301 63.218 63.100 -0.304 0.000 0.757 554 P CB 0.237 31.764 31.700 -0.288 0.000 0.754 555 I N 2.986 123.346 120.570 -0.351 0.000 2.294 555 I HA 0.091 4.262 4.170 0.002 0.000 0.295 555 I C 0.788 176.750 176.117 -0.258 0.000 1.098 555 I CA -0.209 60.920 61.300 -0.284 0.000 1.277 555 I CB 0.173 37.972 38.000 -0.336 0.000 1.434 555 I HN 0.292 nan 8.210 nan 0.000 0.498 556 T N 4.215 118.667 114.554 -0.171 0.000 2.743 556 T HA 0.591 4.942 4.350 0.002 0.000 0.293 556 T C -0.307 174.371 174.700 -0.037 0.000 0.945 556 T CA -0.667 61.373 62.100 -0.100 0.000 1.030 556 T CB 0.998 69.831 68.868 -0.058 0.000 0.912 556 T HN 0.161 nan 8.240 nan 0.000 0.483 557 I N 3.819 124.388 120.570 -0.001 0.000 2.342 557 I HA 0.410 4.581 4.170 0.002 0.000 0.291 557 I C -0.353 175.846 176.117 0.136 0.000 1.010 557 I CA -0.736 60.595 61.300 0.051 0.000 1.308 557 I CB 0.728 38.755 38.000 0.045 0.000 1.400 557 I HN 0.674 nan 8.210 nan 0.000 0.488 558 F N 7.912 127.848 119.950 -0.022 0.000 2.402 558 F HA 0.570 5.098 4.527 0.002 0.000 0.355 558 F C -0.386 175.415 175.800 0.002 0.000 1.123 558 F CA -0.768 57.226 58.000 -0.009 0.000 1.021 558 F CB 1.025 40.014 39.000 -0.019 0.000 1.160 558 F HN 0.365 nan 8.300 nan 0.000 0.451 559 M N 8.069 127.384 119.600 -0.476 0.000 2.101 559 M HA 0.333 4.814 4.480 0.002 0.000 0.340 559 M C -1.086 174.849 176.300 -0.607 0.000 1.057 559 M CA -0.189 54.877 55.300 -0.390 0.000 0.984 559 M CB 0.861 33.386 32.600 -0.124 0.000 1.560 559 M HN 0.811 nan 8.290 nan 0.000 0.435 560 E N 4.760 124.664 120.200 -0.493 0.000 2.299 560 E HA 0.767 5.118 4.350 0.002 0.000 0.260 560 E C -1.772 174.795 176.600 -0.054 0.000 0.944 560 E CA -0.674 55.475 56.400 -0.418 0.000 0.815 560 E CB 1.856 31.391 29.700 -0.275 0.000 1.252 560 E HN 0.663 nan 8.360 nan 0.000 0.418 561 Y N -2.085 118.207 120.300 -0.012 0.000 2.702 561 Y HA 0.622 5.173 4.550 0.002 0.000 0.336 561 Y C -1.390 174.566 175.900 0.092 0.000 1.203 561 Y CA -1.280 56.869 58.100 0.082 0.000 1.072 561 Y CB 1.309 39.872 38.460 0.172 0.000 1.327 561 Y HN 0.797 nan 8.280 nan 0.000 0.456 562 R N 1.447 122.125 120.500 0.296 0.000 2.739 562 R HA 0.712 5.053 4.340 0.002 0.000 0.271 562 R C -2.077 174.157 176.300 -0.109 0.000 1.010 562 R CA -0.900 55.252 56.100 0.087 0.000 0.897 562 R CB 2.620 32.929 30.300 0.016 0.000 1.236 562 R HN 0.882 nan 8.270 nan 0.000 0.466 563 L N 0.615 121.672 121.223 -0.276 0.000 2.440 563 L HA 0.573 4.914 4.340 0.002 0.000 0.262 563 L C -0.911 175.829 176.870 -0.217 0.000 1.072 563 L CA 0.166 54.708 54.840 -0.497 0.000 0.798 563 L CB 1.299 43.085 42.059 -0.455 0.000 1.307 563 L HN 0.665 nan 8.230 nan 0.000 0.475 564 D N -1.447 118.845 120.400 -0.180 0.000 2.559 564 D HA 0.261 4.902 4.640 0.002 0.000 0.250 564 D C -1.282 175.014 176.300 -0.007 0.000 1.135 564 D CA -0.098 53.848 54.000 -0.091 0.000 0.955 564 D CB 1.689 42.407 40.800 -0.137 0.000 1.442 564 D HN 0.448 nan 8.370 nan 0.000 0.471 565 Y N -0.306 119.970 120.300 -0.040 0.000 2.378 565 Y HA 0.484 5.035 4.550 0.002 0.000 0.351 565 Y C 0.865 176.757 175.900 -0.013 0.000 1.351 565 Y CA -1.013 57.073 58.100 -0.023 0.000 1.616 565 Y CB 0.304 38.756 38.460 -0.013 0.000 1.622 565 Y HN 0.430 nan 8.280 nan 0.000 0.568 566 R N -0.884 119.800 120.500 0.307 0.000 3.332 566 R HA -0.145 4.196 4.340 0.002 0.000 0.263 566 R C -0.753 175.583 176.300 0.061 0.000 1.053 566 R CA 1.102 57.287 56.100 0.143 0.000 0.705 566 R CB -2.368 27.926 30.300 -0.010 0.000 1.166 566 R HN 1.015 nan 8.270 nan 0.000 0.427 567 T N -2.100 112.502 114.554 0.080 0.000 3.016 567 T HA 0.588 4.939 4.350 0.002 0.000 0.271 567 T C 0.400 175.137 174.700 0.063 0.000 0.968 567 T CA 0.324 62.457 62.100 0.054 0.000 0.891 567 T CB 0.849 69.740 68.868 0.039 0.000 1.149 567 T HN 0.511 nan 8.240 nan 0.000 0.524 568 A N 1.218 124.082 122.820 0.073 0.000 2.464 568 A HA 0.946 5.267 4.320 0.002 0.000 0.268 568 A C -0.107 177.518 177.584 0.069 0.000 1.244 568 A CA -0.590 51.490 52.037 0.072 0.000 0.871 568 A CB 0.131 19.176 19.000 0.075 0.000 1.400 568 A HN 0.385 nan 8.150 nan 0.000 0.455 569 A N -0.289 122.575 122.820 0.072 0.000 2.561 569 A HA 0.254 4.575 4.320 0.002 0.000 0.234 569 A C 0.940 178.565 177.584 0.068 0.000 1.055 569 A CA 0.958 53.037 52.037 0.071 0.000 0.756 569 A CB -0.578 18.472 19.000 0.082 0.000 0.986 569 A HN 1.000 nan 8.150 nan 0.000 0.505 570 D N 1.350 121.784 120.400 0.056 0.000 2.268 570 D HA -0.161 4.480 4.640 0.002 0.000 0.189 570 D C 0.777 177.102 176.300 0.041 0.000 1.010 570 D CA 2.285 56.311 54.000 0.043 0.000 0.862 570 D CB -0.270 40.549 40.800 0.033 0.000 0.943 570 D HN 0.558 nan 8.370 nan 0.000 0.451 571 T N 0.459 115.046 114.554 0.055 0.000 2.751 571 T HA 0.088 4.439 4.350 0.002 0.000 0.279 571 T C 0.656 175.396 174.700 0.067 0.000 0.941 571 T CA 1.032 63.161 62.100 0.048 0.000 1.192 571 T CB 0.010 68.936 68.868 0.097 0.000 0.883 571 T HN 0.328 nan 8.240 nan 0.000 0.534 572 T N 1.848 116.421 114.554 0.032 0.000 9.777 572 T HA -0.242 4.109 4.350 0.002 0.000 0.380 572 T C 0.858 175.581 174.700 0.039 0.000 1.708 572 T CA 1.731 63.851 62.100 0.033 0.000 2.643 572 T CB -1.781 67.120 68.868 0.054 0.000 2.761 572 T HN 1.775 nan 8.240 nan 0.000 1.136 573 G N 0.363 109.197 108.800 0.056 0.000 3.038 573 G HA2 -0.036 3.925 3.960 0.002 0.000 0.241 573 G HA3 -0.036 3.925 3.960 0.002 0.000 0.241 573 G C -0.593 174.343 174.900 0.060 0.000 0.968 573 G CA -0.182 44.955 45.100 0.061 0.000 0.949 573 G HN 0.836 nan 8.290 nan 0.000 0.394 574 L N 3.613 124.880 121.223 0.073 0.000 2.417 574 L HA 0.376 4.717 4.340 0.002 0.000 0.258 574 L C 1.319 178.224 176.870 0.058 0.000 1.088 574 L CA -0.552 54.328 54.840 0.067 0.000 0.975 574 L CB 0.638 42.748 42.059 0.085 0.000 1.341 574 L HN 0.709 nan 8.230 nan 0.000 0.431 575 Q N 3.021 122.851 119.800 0.050 0.000 2.349 575 Q HA 0.204 4.545 4.340 0.002 0.000 0.287 575 Q C -2.382 173.638 176.000 0.032 0.000 1.044 575 Q CA -1.488 54.348 55.803 0.055 0.000 0.918 575 Q CB -0.019 28.761 28.738 0.069 0.000 1.242 575 Q HN 0.308 nan 8.270 nan 0.000 0.405 576 P HA 0.317 nan 4.420 nan 0.000 0.297 576 P C -0.916 176.396 177.300 0.020 0.000 1.303 576 P CA -0.470 62.641 63.100 0.018 0.000 0.753 576 P CB 0.477 32.202 31.700 0.043 0.000 1.281 577 I N -3.779 116.812 120.570 0.035 0.000 2.908 577 I HA 0.312 4.483 4.170 0.002 0.000 0.300 577 I C -0.964 175.219 176.117 0.111 0.000 1.385 577 I CA -1.118 60.224 61.300 0.069 0.000 1.004 577 I CB 0.217 38.280 38.000 0.105 0.000 1.309 577 I HN -0.043 nan 8.210 nan 0.000 0.449 578 L N 2.832 124.113 121.223 0.097 0.000 2.473 578 L HA 0.239 4.580 4.340 0.002 0.000 0.268 578 L C 0.972 177.903 176.870 0.101 0.000 1.215 578 L CA 0.384 55.292 54.840 0.112 0.000 0.823 578 L CB -0.068 42.051 42.059 0.100 0.000 1.099 578 L HN 0.916 nan 8.230 nan 0.000 0.483 579 N N 0.979 119.733 118.700 0.090 0.000 2.381 579 N HA -0.072 4.669 4.740 0.002 0.000 0.241 579 N C 0.896 176.175 175.510 -0.385 0.000 1.279 579 N CA 0.062 53.112 53.050 -0.001 0.000 0.896 579 N CB 0.862 39.384 38.487 0.058 0.000 1.118 579 N HN 0.578 nan 8.380 nan 0.000 0.438 580 Q N 1.786 120.919 119.800 -1.111 0.000 1.943 580 Q HA -0.186 4.155 4.340 0.002 0.000 0.213 580 Q C 0.047 175.658 176.000 -0.649 0.000 1.017 580 Q CA 1.878 56.888 55.803 -1.323 0.000 0.874 580 Q CB -0.114 27.540 28.738 -1.808 0.000 0.960 580 Q HN 0.656 nan 8.270 nan 0.000 0.417 581 F N 1.331 121.141 119.950 -0.233 0.000 2.606 581 F HA 0.196 4.724 4.527 0.002 0.000 0.347 581 F C -0.368 175.402 175.800 -0.049 0.000 1.207 581 F CA -0.807 57.128 58.000 -0.108 0.000 1.306 581 F CB 0.419 39.382 39.000 -0.063 0.000 1.657 581 F HN -0.029 nan 8.300 nan 0.000 0.606 582 T N -0.706 113.910 114.554 0.104 0.000 2.840 582 T HA 0.518 4.870 4.350 0.002 0.000 0.287 582 T C -2.572 172.178 174.700 0.083 0.000 0.991 582 T CA -2.371 59.789 62.100 0.101 0.000 0.964 582 T CB 1.578 70.505 68.868 0.099 0.000 0.954 582 T HN -0.059 nan 8.240 nan 0.000 0.438 583 P HA 0.474 nan 4.420 nan 0.000 0.276 583 P C 0.472 177.763 177.300 -0.016 0.000 1.235 583 P CA -0.683 62.440 63.100 0.038 0.000 0.772 583 P CB 0.822 32.553 31.700 0.052 0.000 0.871 584 A N 3.013 125.741 122.820 -0.153 0.000 2.218 584 A HA 0.049 4.370 4.320 0.002 0.000 0.209 584 A C 0.539 177.686 177.584 -0.728 0.000 1.168 584 A CA 0.445 52.165 52.037 -0.529 0.000 0.804 584 A CB -0.412 18.321 19.000 -0.446 0.000 0.834 584 A HN 0.603 nan 8.150 nan 0.000 0.482 585 N N -0.879 117.640 118.700 -0.302 0.000 2.380 585 N HA 0.625 5.366 4.740 0.002 0.000 0.290 585 N C -1.578 173.865 175.510 -0.113 0.000 1.236 585 N CA -0.454 52.406 53.050 -0.317 0.000 0.780 585 N CB 1.930 40.171 38.487 -0.411 0.000 1.438 585 N HN 0.074 nan 8.380 nan 0.000 0.491 586 I N -0.318 120.158 120.570 -0.157 0.000 2.680 586 I HA 0.379 4.551 4.170 0.002 0.000 0.291 586 I C -1.310 174.785 176.117 -0.038 0.000 1.244 586 I CA -0.208 61.077 61.300 -0.025 0.000 1.042 586 I CB 1.954 39.980 38.000 0.042 0.000 1.277 586 I HN 0.463 nan 8.210 nan 0.000 0.423 587 S N 5.834 121.567 115.700 0.056 0.000 2.503 587 S HA 0.873 5.344 4.470 0.002 0.000 0.301 587 S C -0.829 173.809 174.600 0.063 0.000 1.087 587 S CA -0.635 57.623 58.200 0.097 0.000 1.042 587 S CB 1.804 65.113 63.200 0.183 0.000 1.043 587 S HN 0.551 nan 8.310 nan 0.000 0.489 588 R N 1.838 122.367 120.500 0.048 0.000 2.725 588 R HA 0.469 4.810 4.340 0.002 0.000 0.277 588 R C -1.646 174.648 176.300 -0.009 0.000 0.987 588 R CA -0.719 55.399 56.100 0.030 0.000 0.901 588 R CB 1.397 31.718 30.300 0.034 0.000 1.207 588 R HN 0.804 nan 8.270 nan 0.000 0.463 589 Q N 1.863 121.636 119.800 -0.044 0.000 2.372 589 Q HA 0.837 5.178 4.340 0.002 0.000 0.273 589 Q C -1.328 174.491 176.000 -0.301 0.000 1.078 589 Q CA -1.249 54.451 55.803 -0.172 0.000 0.806 589 Q CB 2.386 30.999 28.738 -0.207 0.000 1.332 589 Q HN 0.566 nan 8.270 nan 0.000 0.435 590 A N 2.073 124.644 122.820 -0.416 0.000 2.295 590 A HA 0.645 4.966 4.320 0.002 0.000 0.318 590 A C -1.309 175.843 177.584 -0.719 0.000 1.134 590 A CA -0.508 51.250 52.037 -0.466 0.000 0.827 590 A CB 0.429 19.123 19.000 -0.509 0.000 1.136 590 A HN 0.807 nan 8.150 nan 0.000 0.493 591 H N 0.681 119.535 119.070 -0.361 0.000 2.744 591 H HA 0.390 4.947 4.556 0.002 0.000 0.339 591 H C -0.422 174.727 175.328 -0.298 0.000 1.004 591 H CA -0.446 55.353 56.048 -0.415 0.000 1.257 591 H CB 1.118 30.345 29.762 -0.891 0.000 1.552 591 H HN 0.572 nan 8.280 nan 0.000 0.522 592 I N 3.367 123.882 120.570 -0.090 0.000 2.710 592 I HA -0.098 4.073 4.170 0.002 0.000 0.286 592 I C 0.473 176.611 176.117 0.036 0.000 1.181 592 I CA 0.133 61.418 61.300 -0.025 0.000 1.430 592 I CB 0.525 38.542 38.000 0.028 0.000 1.367 592 I HN 0.430 nan 8.210 nan 0.000 0.577 593 L N 7.705 128.957 121.223 0.048 0.000 2.462 593 L HA 0.305 4.647 4.340 0.002 0.000 0.272 593 L C -0.513 176.408 176.870 0.086 0.000 1.166 593 L CA 0.373 55.266 54.840 0.088 0.000 0.880 593 L CB 0.357 42.459 42.059 0.070 0.000 1.142 593 L HN 0.521 nan 8.230 nan 0.000 0.473 594 L N 4.713 126.002 121.223 0.110 0.000 2.666 594 L HA 0.226 4.567 4.340 0.002 0.000 0.259 594 L C -0.809 176.106 176.870 0.075 0.000 0.919 594 L CA -0.480 54.408 54.840 0.081 0.000 0.927 594 L CB 1.542 43.651 42.059 0.082 0.000 1.423 594 L HN 0.643 nan 8.230 nan 0.000 0.426 595 D N 1.871 122.297 120.400 0.042 0.000 2.983 595 D HA -0.217 4.424 4.640 0.002 0.000 0.225 595 D C 0.897 177.204 176.300 0.011 0.000 1.174 595 D CA 1.363 55.377 54.000 0.022 0.000 0.831 595 D CB -1.234 39.577 40.800 0.019 0.000 1.104 595 D HN 0.644 nan 8.370 nan 0.000 0.421 596 c N -0.804 117.810 118.600 0.024 0.000 2.518 596 c HA 0.483 5.054 4.570 0.002 0.000 0.283 596 c C 1.996 176.082 174.090 -0.007 0.000 1.351 596 c CA 0.751 57.083 56.329 0.006 0.000 1.745 596 c CB -0.520 42.013 42.510 0.039 0.000 2.107 596 c HN 0.810 nan 8.230 nan 0.000 0.502 597 G N 1.350 110.152 108.800 0.004 0.000 2.498 597 G HA2 -0.311 3.650 3.960 0.002 0.000 0.251 597 G HA3 -0.311 3.650 3.960 0.002 0.000 0.251 597 G C 0.851 175.745 174.900 -0.010 0.000 1.170 597 G CA 0.540 45.638 45.100 -0.004 0.000 0.944 597 G HN 0.476 nan 8.290 nan 0.000 0.567 598 E N 0.168 120.358 120.200 -0.017 0.000 2.122 598 E HA -0.071 4.280 4.350 0.002 0.000 0.190 598 E C 1.825 178.405 176.600 -0.033 0.000 0.977 598 E CA 1.512 57.900 56.400 -0.020 0.000 0.820 598 E CB -0.212 29.476 29.700 -0.019 0.000 0.770 598 E HN 0.433 nan 8.360 nan 0.000 0.462 599 D N 0.769 121.142 120.400 -0.044 0.000 2.263 599 D HA -0.225 4.416 4.640 0.002 0.000 0.208 599 D C 0.824 177.077 176.300 -0.078 0.000 0.971 599 D CA 1.332 55.290 54.000 -0.070 0.000 0.867 599 D CB -0.305 40.449 40.800 -0.077 0.000 0.929 599 D HN 0.266 nan 8.370 nan 0.000 0.492 600 N N -1.601 117.070 118.700 -0.048 0.000 2.946 600 N HA -0.215 4.526 4.740 0.002 0.000 0.223 600 N C -0.690 174.808 175.510 -0.020 0.000 0.850 600 N CA 1.513 54.547 53.050 -0.027 0.000 1.057 600 N CB -0.914 37.560 38.487 -0.021 0.000 1.020 600 N HN 0.257 nan 8.380 nan 0.000 0.616 601 V N -2.858 117.018 119.914 -0.062 0.000 2.531 601 V HA 0.560 4.681 4.120 0.002 0.000 0.301 601 V C 0.640 176.697 176.094 -0.062 0.000 1.034 601 V CA -1.200 61.074 62.300 -0.044 0.000 0.865 601 V CB 1.552 33.315 31.823 -0.100 0.000 0.995 601 V HN 0.156 nan 8.190 nan 0.000 0.424 602 c N 5.206 123.782 118.600 -0.040 0.000 2.677 602 c HA 0.246 4.817 4.570 0.002 0.000 0.398 602 c C 0.971 175.002 174.090 -0.097 0.000 1.378 602 c CA 0.004 56.264 56.329 -0.114 0.000 1.543 602 c CB -1.457 40.895 42.510 -0.262 0.000 2.356 602 c HN 0.870 nan 8.230 nan 0.000 0.609 603 K N 5.779 126.133 120.400 -0.077 0.000 2.423 603 K HA 0.271 4.592 4.320 0.002 0.000 0.234 603 K C -2.411 174.161 176.600 -0.047 0.000 1.051 603 K CA -1.019 55.251 56.287 -0.029 0.000 1.021 603 K CB 1.076 33.558 32.500 -0.029 0.000 1.474 603 K HN 0.493 nan 8.250 nan 0.000 0.474 604 P HA 0.073 nan 4.420 nan 0.000 0.278 604 P C -1.046 176.232 177.300 -0.038 0.000 1.238 604 P CA -0.452 62.606 63.100 -0.069 0.000 0.794 604 P CB 1.021 32.659 31.700 -0.104 0.000 0.955 605 K N 3.771 124.150 120.400 -0.034 0.000 2.354 605 K HA 0.350 4.671 4.320 0.002 0.000 0.257 605 K C -0.626 175.960 176.600 -0.023 0.000 1.062 605 K CA -0.557 55.717 56.287 -0.022 0.000 0.971 605 K CB -0.166 32.323 32.500 -0.019 0.000 1.305 605 K HN 0.434 nan 8.250 nan 0.000 0.449 606 L N 4.107 125.318 121.223 -0.021 0.000 2.357 606 L HA 0.414 4.755 4.340 0.002 0.000 0.273 606 L C 0.052 176.913 176.870 -0.014 0.000 1.080 606 L CA -0.473 54.355 54.840 -0.020 0.000 0.803 606 L CB 1.137 43.184 42.059 -0.020 0.000 1.174 606 L HN 0.619 nan 8.230 nan 0.000 0.443 607 E N 2.257 122.449 120.200 -0.014 0.000 2.307 607 E HA 0.405 4.756 4.350 0.002 0.000 0.280 607 E C -1.614 174.979 176.600 -0.012 0.000 0.900 607 E CA -0.744 55.649 56.400 -0.012 0.000 0.790 607 E CB 1.911 31.604 29.700 -0.013 0.000 1.261 607 E HN 0.227 nan 8.360 nan 0.000 0.405 608 V N 1.789 121.698 119.914 -0.010 0.000 2.407 608 V HA 0.486 4.607 4.120 0.002 0.000 0.278 608 V C 0.142 176.228 176.094 -0.015 0.000 1.037 608 V CA -0.495 61.799 62.300 -0.009 0.000 0.900 608 V CB 1.105 32.927 31.823 -0.002 0.000 0.983 608 V HN 0.736 nan 8.190 nan 0.000 0.459 609 S N 3.498 119.185 115.700 -0.021 0.000 2.542 609 S HA 0.880 5.351 4.470 0.002 0.000 0.293 609 S C -1.151 173.419 174.600 -0.051 0.000 1.089 609 S CA -0.489 57.690 58.200 -0.036 0.000 0.961 609 S CB 1.973 65.153 63.200 -0.034 0.000 1.062 609 S HN 0.764 nan 8.310 nan 0.000 0.483 610 V N 2.824 122.683 119.914 -0.091 0.000 3.120 610 V HA 0.583 4.704 4.120 0.002 0.000 0.303 610 V C -1.773 174.184 176.094 -0.229 0.000 1.238 610 V CA -0.635 61.580 62.300 -0.143 0.000 1.008 610 V CB 2.398 34.131 31.823 -0.150 0.000 1.064 610 V HN 1.009 nan 8.190 nan 0.000 0.434 611 D N 1.549 121.813 120.400 -0.227 0.000 2.374 611 D HA 0.484 5.125 4.640 0.002 0.000 0.239 611 D C -0.202 175.955 176.300 -0.238 0.000 0.991 611 D CA -0.321 53.552 54.000 -0.211 0.000 0.960 611 D CB 2.268 43.008 40.800 -0.100 0.000 1.284 611 D HN 0.502 nan 8.370 nan 0.000 0.512 612 S N 0.284 115.905 115.700 -0.133 0.000 2.849 612 S HA 0.050 4.521 4.470 0.002 0.000 0.244 612 S C 0.005 174.619 174.600 0.023 0.000 1.297 612 S CA -0.474 57.720 58.200 -0.009 0.000 1.241 612 S CB -0.533 62.673 63.200 0.009 0.000 0.958 612 S HN 0.327 nan 8.310 nan 0.000 0.489 613 D N 2.062 122.473 120.400 0.019 0.000 2.363 613 D HA 0.121 4.763 4.640 0.002 0.000 0.263 613 D C 0.223 176.540 176.300 0.029 0.000 1.258 613 D CA 0.544 54.555 54.000 0.019 0.000 0.907 613 D CB 0.203 41.011 40.800 0.014 0.000 1.107 613 D HN 0.089 nan 8.370 nan 0.000 0.495 614 Q N 2.291 122.103 119.800 0.019 0.000 2.407 614 Q HA -0.190 4.151 4.340 0.002 0.000 0.323 614 Q C 0.032 176.030 176.000 -0.003 0.000 1.421 614 Q CA 0.521 56.330 55.803 0.009 0.000 0.799 614 Q CB -0.944 27.802 28.738 0.012 0.000 1.073 614 Q HN 0.722 nan 8.270 nan 0.000 0.345 615 K N 0.461 120.860 120.400 -0.002 0.000 2.520 615 K HA -0.184 4.137 4.320 0.002 0.000 0.198 615 K C 0.225 176.792 176.600 -0.055 0.000 1.045 615 K CA 1.662 57.946 56.287 -0.006 0.000 0.934 615 K CB -0.129 32.372 32.500 0.001 0.000 0.766 615 K HN 0.458 nan 8.250 nan 0.000 0.483 616 K N 0.099 120.430 120.400 -0.115 0.000 2.533 616 K HA 0.497 4.818 4.320 0.002 0.000 0.272 616 K C -0.889 175.514 176.600 -0.330 0.000 0.985 616 K CA -0.980 55.174 56.287 -0.222 0.000 0.876 616 K CB 1.000 33.332 32.500 -0.280 0.000 1.452 616 K HN 0.065 nan 8.250 nan 0.000 0.439 617 I N -1.691 118.659 120.570 -0.366 0.000 2.534 617 I HA 0.454 4.625 4.170 0.002 0.000 0.286 617 I C -1.282 174.654 176.117 -0.302 0.000 1.094 617 I CA -1.162 59.948 61.300 -0.316 0.000 1.055 617 I CB 1.118 39.053 38.000 -0.107 0.000 1.225 617 I HN 0.508 nan 8.210 nan 0.000 0.435 618 Y N 5.488 125.789 120.300 0.003 0.000 2.425 618 Y HA 0.368 4.919 4.550 0.002 0.000 0.331 618 Y C 0.887 176.775 175.900 -0.019 0.000 1.157 618 Y CA -0.496 57.597 58.100 -0.012 0.000 1.372 618 Y CB 0.564 39.035 38.460 0.017 0.000 1.253 618 Y HN 0.455 nan 8.280 nan 0.000 0.536 619 I N 3.661 124.272 120.570 0.068 0.000 2.662 619 I HA 0.102 4.273 4.170 0.002 0.000 0.285 619 I C 1.023 177.194 176.117 0.090 0.000 1.161 619 I CA 1.289 62.582 61.300 -0.012 0.000 1.415 619 I CB -0.312 37.516 38.000 -0.286 0.000 1.385 619 I HN 1.045 nan 8.210 nan 0.000 0.552 620 G N 5.390 114.250 108.800 0.100 0.000 1.701 620 G HA2 -0.156 3.805 3.960 0.002 0.000 0.057 620 G HA3 -0.156 3.805 3.960 0.002 0.000 0.057 620 G C -0.355 174.602 174.900 0.095 0.000 1.314 620 G CA -0.057 45.108 45.100 0.109 0.000 1.162 620 G HN 0.692 nan 8.290 nan 0.000 0.358 621 D N 1.187 121.641 120.400 0.090 0.000 2.223 621 D HA 0.398 5.039 4.640 0.002 0.000 0.250 621 D C -0.671 175.689 176.300 0.101 0.000 1.287 621 D CA 0.195 54.236 54.000 0.069 0.000 0.977 621 D CB 0.224 41.064 40.800 0.068 0.000 1.177 621 D HN 0.194 nan 8.370 nan 0.000 0.536 622 D N -0.183 120.267 120.400 0.085 0.000 2.428 622 D HA 0.194 4.835 4.640 0.002 0.000 0.221 622 D C -0.533 175.853 176.300 0.143 0.000 1.123 622 D CA -0.296 53.800 54.000 0.160 0.000 0.869 622 D CB -0.079 40.777 40.800 0.094 0.000 1.032 622 D HN 0.262 nan 8.370 nan 0.000 0.506 623 N N 3.616 122.409 118.700 0.156 0.000 2.458 623 N HA 0.162 4.904 4.740 0.002 0.000 0.270 623 N C -2.319 173.263 175.510 0.119 0.000 1.102 623 N CA -1.100 52.024 53.050 0.123 0.000 0.967 623 N CB 1.425 39.971 38.487 0.098 0.000 1.078 623 N HN 0.144 nan 8.380 nan 0.000 0.471 624 P HA 0.124 nan 4.420 nan 0.000 0.276 624 P C -0.834 176.518 177.300 0.087 0.000 1.243 624 P CA -0.257 62.894 63.100 0.084 0.000 0.768 624 P CB 1.006 32.741 31.700 0.058 0.000 0.856 625 L N 3.570 124.861 121.223 0.113 0.000 2.431 625 L HA 0.603 4.944 4.340 0.002 0.000 0.266 625 L C -0.887 176.055 176.870 0.120 0.000 0.978 625 L CA 0.041 54.951 54.840 0.116 0.000 0.822 625 L CB 2.444 44.600 42.059 0.161 0.000 1.310 625 L HN 0.249 nan 8.230 nan 0.000 0.409 626 T N 5.535 120.135 114.554 0.077 0.000 2.848 626 T HA 0.565 4.916 4.350 0.002 0.000 0.285 626 T C -0.741 173.993 174.700 0.058 0.000 0.995 626 T CA -0.389 61.752 62.100 0.069 0.000 0.970 626 T CB 1.221 70.110 68.868 0.035 0.000 0.976 626 T HN 0.431 nan 8.240 nan 0.000 0.441 627 L N 3.769 125.038 121.223 0.077 0.000 2.282 627 L HA 0.515 4.856 4.340 0.002 0.000 0.288 627 L C -0.441 176.452 176.870 0.038 0.000 1.033 627 L CA -1.102 53.763 54.840 0.042 0.000 0.807 627 L CB 1.144 43.211 42.059 0.014 0.000 1.209 627 L HN 0.434 nan 8.230 nan 0.000 0.423 628 I N 5.080 125.655 120.570 0.008 0.000 2.282 628 I HA 0.151 4.322 4.170 0.002 0.000 0.290 628 I C 0.514 176.623 176.117 -0.013 0.000 1.090 628 I CA -0.293 61.007 61.300 -0.001 0.000 1.231 628 I CB 1.108 39.101 38.000 -0.012 0.000 1.434 628 I HN 0.251 nan 8.210 nan 0.000 0.487 629 V N 4.290 124.207 119.914 0.004 0.000 3.036 629 V HA 0.591 4.712 4.120 0.002 0.000 0.308 629 V C 0.126 176.217 176.094 -0.006 0.000 1.070 629 V CA -0.787 61.513 62.300 0.000 0.000 1.056 629 V CB 1.567 33.400 31.823 0.018 0.000 1.084 629 V HN 0.778 nan 8.190 nan 0.000 0.471 630 K N 1.562 121.956 120.400 -0.009 0.000 2.790 630 K HA 0.634 4.955 4.320 0.002 0.000 0.253 630 K C -0.819 175.775 176.600 -0.009 0.000 1.082 630 K CA -0.209 56.071 56.287 -0.010 0.000 1.067 630 K CB 1.047 33.536 32.500 -0.017 0.000 1.284 630 K HN 1.189 nan 8.250 nan 0.000 0.529 631 A N 4.064 126.881 122.820 -0.005 0.000 2.269 631 A HA 0.407 4.728 4.320 0.002 0.000 0.302 631 A C -0.661 176.918 177.584 -0.009 0.000 1.266 631 A CA -0.347 51.687 52.037 -0.006 0.000 0.894 631 A CB 0.523 19.522 19.000 -0.003 0.000 1.147 631 A HN 0.731 nan 8.150 nan 0.000 0.537 632 Q N 1.204 120.996 119.800 -0.012 0.000 2.351 632 Q HA 0.506 4.847 4.340 0.002 0.000 0.273 632 Q C -0.897 175.093 176.000 -0.018 0.000 1.077 632 Q CA -0.996 54.799 55.803 -0.014 0.000 0.843 632 Q CB 1.995 30.724 28.738 -0.014 0.000 1.367 632 Q HN 0.661 nan 8.270 nan 0.000 0.449 633 N N 0.797 119.484 118.700 -0.021 0.000 2.540 633 N HA 0.140 4.881 4.740 0.002 0.000 0.275 633 N C -0.958 174.535 175.510 -0.028 0.000 1.053 633 N CA -0.079 52.954 53.050 -0.029 0.000 0.876 633 N CB 1.508 39.973 38.487 -0.036 0.000 1.284 633 N HN 0.461 nan 8.380 nan 0.000 0.518 634 Q N 1.213 120.997 119.800 -0.026 0.000 2.282 634 Q HA 0.441 4.782 4.340 0.002 0.000 0.206 634 Q C 0.817 176.800 176.000 -0.028 0.000 0.878 634 Q CA 0.056 55.845 55.803 -0.024 0.000 0.944 634 Q CB 0.699 29.425 28.738 -0.019 0.000 1.100 634 Q HN 0.729 nan 8.270 nan 0.000 0.509 635 G N -0.866 107.913 108.800 -0.035 0.000 2.849 635 G HA2 0.304 4.265 3.960 0.002 0.000 0.174 635 G HA3 0.304 4.265 3.960 0.002 0.000 0.174 635 G C -0.182 174.686 174.900 -0.054 0.000 1.370 635 G CA -0.488 44.587 45.100 -0.040 0.000 1.040 635 G HN 0.161 nan 8.290 nan 0.000 0.582 636 E N -0.626 119.532 120.200 -0.071 0.000 2.869 636 E HA 0.393 4.744 4.350 0.002 0.000 0.258 636 E C 0.525 177.046 176.600 -0.133 0.000 1.354 636 E CA -0.407 55.938 56.400 -0.092 0.000 1.065 636 E CB 0.169 29.811 29.700 -0.097 0.000 1.215 636 E HN 0.425 nan 8.360 nan 0.000 0.659 637 G N -0.204 108.493 108.800 -0.173 0.000 2.335 637 G HA2 0.325 4.286 3.960 0.002 0.000 0.268 637 G HA3 0.325 4.286 3.960 0.002 0.000 0.268 637 G C -0.469 174.170 174.900 -0.434 0.000 1.228 637 G CA -0.222 44.738 45.100 -0.234 0.000 0.968 637 G HN 0.413 nan 8.290 nan 0.000 0.459 638 A N 3.452 126.093 122.820 -0.298 0.000 2.276 638 A HA 0.618 4.939 4.320 0.002 0.000 0.300 638 A C -0.576 176.850 177.584 -0.263 0.000 1.235 638 A CA -0.587 51.270 52.037 -0.300 0.000 0.867 638 A CB 0.272 19.188 19.000 -0.141 0.000 1.137 638 A HN 0.624 nan 8.150 nan 0.000 0.527 639 Y N 0.891 121.101 120.300 -0.150 0.000 2.304 639 Y HA 0.281 4.832 4.550 0.002 0.000 0.327 639 Y C 1.062 176.876 175.900 -0.144 0.000 1.209 639 Y CA -0.249 57.688 58.100 -0.272 0.000 1.299 639 Y CB 0.283 38.379 38.460 -0.606 0.000 1.249 639 Y HN 0.931 nan 8.280 nan 0.000 0.519 640 E N -0.609 119.645 120.200 0.090 0.000 2.199 640 E HA -0.209 4.142 4.350 0.002 0.000 0.208 640 E C -0.413 176.215 176.600 0.047 0.000 1.310 640 E CA 0.192 56.644 56.400 0.086 0.000 0.709 640 E CB -1.060 28.704 29.700 0.106 0.000 1.127 640 E HN 0.643 nan 8.360 nan 0.000 0.354 641 A N 2.245 125.082 122.820 0.029 0.000 2.407 641 A HA 0.389 4.710 4.320 0.002 0.000 0.248 641 A C 0.505 178.098 177.584 0.015 0.000 1.082 641 A CA 0.410 52.453 52.037 0.010 0.000 0.785 641 A CB 0.426 19.424 19.000 -0.002 0.000 1.020 641 A HN 0.388 nan 8.150 nan 0.000 0.489 642 E N 1.184 121.388 120.200 0.007 0.000 2.451 642 E HA 0.399 4.750 4.350 0.002 0.000 0.295 642 E C -1.696 174.901 176.600 -0.005 0.000 0.966 642 E CA -0.905 55.497 56.400 0.004 0.000 0.808 642 E CB 0.723 30.427 29.700 0.006 0.000 1.242 642 E HN 0.451 nan 8.360 nan 0.000 0.412 643 L N 3.545 124.763 121.223 -0.007 0.000 2.331 643 L HA 0.395 4.736 4.340 0.002 0.000 0.278 643 L C -1.038 175.820 176.870 -0.021 0.000 1.106 643 L CA -0.462 54.373 54.840 -0.009 0.000 0.824 643 L CB 0.832 42.889 42.059 -0.004 0.000 1.142 643 L HN 0.591 nan 8.230 nan 0.000 0.443 644 I N 7.072 127.630 120.570 -0.020 0.000 2.390 644 I HA 0.231 4.402 4.170 0.002 0.000 0.283 644 I C -0.520 175.583 176.117 -0.024 0.000 1.016 644 I CA -0.469 60.810 61.300 -0.035 0.000 1.151 644 I CB 1.286 39.265 38.000 -0.035 0.000 1.293 644 I HN 0.228 nan 8.210 nan 0.000 0.458 645 V N 5.415 125.314 119.914 -0.026 0.000 2.334 645 V HA 0.227 4.348 4.120 0.002 0.000 0.267 645 V C 0.761 176.849 176.094 -0.009 0.000 1.040 645 V CA -0.389 61.925 62.300 0.023 0.000 0.866 645 V CB 0.974 32.857 31.823 0.100 0.000 1.019 645 V HN 0.712 nan 8.190 nan 0.000 0.468 646 S N 6.892 122.580 115.700 -0.021 0.000 2.455 646 S HA 0.508 4.979 4.470 0.002 0.000 0.278 646 S C 0.011 174.507 174.600 -0.174 0.000 1.216 646 S CA -0.273 57.872 58.200 -0.091 0.000 1.055 646 S CB 0.064 63.215 63.200 -0.083 0.000 0.939 646 S HN 0.698 nan 8.310 nan 0.000 0.494 647 I N 1.748 122.164 120.570 -0.256 0.000 2.562 647 I HA 0.649 4.820 4.170 0.002 0.000 0.301 647 I C -2.168 173.698 176.117 -0.418 0.000 1.003 647 I CA -2.694 58.288 61.300 -0.531 0.000 1.127 647 I CB 1.653 39.444 38.000 -0.349 0.000 1.304 647 I HN 0.343 nan 8.210 nan 0.000 0.446 648 P HA 0.030 nan 4.420 nan 0.000 0.335 648 P C 0.508 177.695 177.300 -0.188 0.000 1.416 648 P CA 0.176 63.081 63.100 -0.325 0.000 0.828 648 P CB 1.098 32.579 31.700 -0.365 0.000 1.966 649 L N -1.845 119.292 121.223 -0.143 0.000 2.575 649 L HA 0.051 4.392 4.340 0.002 0.000 0.228 649 L C 2.613 179.428 176.870 -0.091 0.000 1.075 649 L CA 0.542 55.338 54.840 -0.074 0.000 0.867 649 L CB -0.169 41.863 42.059 -0.045 0.000 1.097 649 L HN 0.092 nan 8.230 nan 0.000 0.485 650 Q N 0.494 120.208 119.800 -0.144 0.000 2.137 650 Q HA 0.103 4.444 4.340 0.002 0.000 0.198 650 Q C 1.032 176.852 176.000 -0.300 0.000 0.960 650 Q CA 0.864 56.551 55.803 -0.195 0.000 0.847 650 Q CB -0.152 28.496 28.738 -0.150 0.000 0.915 650 Q HN 0.414 nan 8.270 nan 0.000 0.448 651 A N 0.427 123.127 122.820 -0.200 0.000 2.296 651 A HA 0.414 4.735 4.320 0.002 0.000 0.264 651 A C -0.626 177.011 177.584 0.087 0.000 1.097 651 A CA -0.113 51.885 52.037 -0.066 0.000 0.811 651 A CB 0.315 19.239 19.000 -0.127 0.000 1.072 651 A HN 0.192 nan 8.150 nan 0.000 0.495 652 D N -2.096 118.500 120.400 0.325 0.000 2.717 652 D HA 0.431 5.072 4.640 0.002 0.000 0.223 652 D C -1.689 174.944 176.300 0.555 0.000 1.240 652 D CA -0.227 53.986 54.000 0.355 0.000 0.801 652 D CB 1.412 42.296 40.800 0.140 0.000 1.556 652 D HN 0.364 nan 8.370 nan 0.000 0.462 653 F N 2.923 123.007 119.950 0.225 0.000 2.404 653 F HA 0.494 5.022 4.527 0.002 0.000 0.354 653 F C 0.021 175.749 175.800 -0.120 0.000 1.122 653 F CA -0.458 57.560 58.000 0.030 0.000 1.080 653 F CB 0.457 39.663 39.000 0.343 0.000 1.131 653 F HN 0.440 nan 8.300 nan 0.000 0.471 654 I N 3.632 123.719 120.570 -0.804 0.000 2.364 654 I HA 0.296 4.467 4.170 0.002 0.000 0.241 654 I C 1.359 176.856 176.117 -1.033 0.000 1.082 654 I CA 0.868 61.756 61.300 -0.687 0.000 1.401 654 I CB -0.442 37.320 38.000 -0.397 0.000 1.126 654 I HN 0.715 nan 8.210 nan 0.000 0.429 655 G N -0.407 107.602 108.800 -1.318 0.000 2.364 655 G HA2 0.324 4.285 3.960 0.002 0.000 0.286 655 G HA3 0.324 4.285 3.960 0.002 0.000 0.286 655 G C -0.206 174.515 174.900 -0.299 0.000 1.241 655 G CA 0.017 44.580 45.100 -0.895 0.000 0.887 655 G HN 0.006 nan 8.290 nan 0.000 0.484 656 V N -1.295 118.607 119.914 -0.019 0.000 2.620 656 V HA 0.622 4.743 4.120 0.002 0.000 0.194 656 V C 1.943 178.031 176.094 -0.010 0.000 1.155 656 V CA 2.857 65.197 62.300 0.067 0.000 1.265 656 V CB -0.922 30.952 31.823 0.086 0.000 0.841 656 V HN 1.880 nan 8.190 nan 0.000 0.488 657 V N -4.337 115.571 119.914 -0.009 0.000 5.044 657 V HA 0.470 4.591 4.120 0.002 0.000 0.132 657 V C 1.555 177.637 176.094 -0.020 0.000 1.180 657 V CA 0.600 62.889 62.300 -0.019 0.000 1.156 657 V CB 0.061 31.881 31.823 -0.004 0.000 1.523 657 V HN 0.636 nan 8.190 nan 0.000 0.618 658 R N 1.426 121.921 120.500 -0.008 0.000 3.928 658 R HA -0.267 4.074 4.340 0.002 0.000 0.417 658 R C 0.959 177.254 176.300 -0.009 0.000 0.647 658 R CA 1.941 58.036 56.100 -0.008 0.000 1.610 658 R CB -2.034 28.258 30.300 -0.013 0.000 2.164 658 R HN 0.940 nan 8.270 nan 0.000 0.406 659 N N 1.272 119.965 118.700 -0.012 0.000 2.416 659 N HA 0.066 4.807 4.740 0.002 0.000 0.215 659 N C -0.024 175.482 175.510 -0.006 0.000 1.208 659 N CA -0.043 53.001 53.050 -0.010 0.000 0.834 659 N CB 0.259 38.738 38.487 -0.013 0.000 1.072 659 N HN 0.218 nan 8.380 nan 0.000 0.472 660 N N 0.094 118.792 118.700 -0.004 0.000 2.647 660 N HA 0.084 4.825 4.740 0.002 0.000 0.266 660 N C -0.613 174.897 175.510 -0.000 0.000 1.373 660 N CA -0.376 52.673 53.050 -0.001 0.000 0.807 660 N CB 1.897 40.384 38.487 -0.000 0.000 1.513 660 N HN 0.203 nan 8.380 nan 0.000 0.505 661 E N 0.257 120.458 120.200 0.000 0.000 2.332 661 E HA 0.236 4.588 4.350 0.002 0.000 0.202 661 E C 1.038 177.638 176.600 0.001 0.000 0.877 661 E CA 0.294 56.694 56.400 0.001 0.000 0.979 661 E CB 0.054 29.755 29.700 0.000 0.000 0.969 661 E HN 0.568 nan 8.360 nan 0.000 0.495 662 A N 1.104 123.924 122.820 0.001 0.000 2.119 662 A HA 0.153 4.474 4.320 0.002 0.000 0.216 662 A C 1.018 178.604 177.584 0.002 0.000 1.152 662 A CA 0.188 52.226 52.037 0.001 0.000 0.708 662 A CB -0.143 18.857 19.000 -0.000 0.000 0.805 662 A HN 0.178 nan 8.150 nan 0.000 0.460 663 L N 0.210 121.435 121.223 0.004 0.000 2.334 663 L HA 0.548 4.889 4.340 0.002 0.000 0.277 663 L C 0.576 177.451 176.870 0.009 0.000 1.075 663 L CA -0.744 54.100 54.840 0.007 0.000 0.804 663 L CB 1.480 43.544 42.059 0.008 0.000 1.174 663 L HN 0.237 nan 8.230 nan 0.000 0.438 664 A N 3.292 126.119 122.820 0.012 0.000 2.322 664 A HA 0.480 4.801 4.320 0.002 0.000 0.269 664 A C 0.145 177.741 177.584 0.020 0.000 1.094 664 A CA -0.502 51.543 52.037 0.014 0.000 0.807 664 A CB 0.344 19.352 19.000 0.014 0.000 1.047 664 A HN 0.801 nan 8.150 nan 0.000 0.487 665 R N 1.811 122.323 120.500 0.020 0.000 4.017 665 R HA 0.269 4.610 4.340 0.002 0.000 0.272 665 R C -0.632 175.688 176.300 0.034 0.000 1.516 665 R CA -0.208 55.908 56.100 0.026 0.000 1.519 665 R CB -0.344 29.968 30.300 0.019 0.000 1.422 665 R HN 0.640 nan 8.270 nan 0.000 0.719 666 L N 0.462 121.709 121.223 0.040 0.000 2.498 666 L HA -0.086 4.255 4.340 0.002 0.000 0.293 666 L C 0.868 177.770 176.870 0.053 0.000 1.271 666 L CA 0.584 55.449 54.840 0.042 0.000 0.831 666 L CB 0.336 42.420 42.059 0.041 0.000 1.091 666 L HN 0.361 nan 8.230 nan 0.000 0.535 667 S N -0.183 115.545 115.700 0.047 0.000 2.849 667 S HA 0.125 4.596 4.470 0.002 0.000 0.244 667 S C 0.046 174.684 174.600 0.064 0.000 1.297 667 S CA -0.661 57.571 58.200 0.053 0.000 1.241 667 S CB -0.503 62.722 63.200 0.040 0.000 0.958 667 S HN 0.490 nan 8.310 nan 0.000 0.489 668 c N 2.659 121.309 118.600 0.083 0.000 2.634 668 c HA 0.522 5.093 4.570 0.002 0.000 0.417 668 c C 1.023 175.192 174.090 0.131 0.000 1.334 668 c CA -0.488 55.879 56.329 0.063 0.000 1.829 668 c CB -0.924 41.615 42.510 0.049 0.000 2.665 668 c HN 0.686 nan 8.230 nan 0.000 0.614 669 A N 3.053 125.909 122.820 0.060 0.000 2.611 669 A HA 0.515 4.836 4.320 0.002 0.000 0.282 669 A C -0.592 177.067 177.584 0.126 0.000 1.114 669 A CA -0.455 51.675 52.037 0.155 0.000 0.800 669 A CB 0.180 19.247 19.000 0.112 0.000 1.325 669 A HN 0.789 nan 8.150 nan 0.000 0.411 670 F N 2.674 122.675 119.950 0.084 0.000 2.635 670 F HA 0.321 4.849 4.527 0.002 0.000 0.379 670 F C 0.671 176.507 175.800 0.059 0.000 1.094 670 F CA 1.432 59.475 58.000 0.073 0.000 1.300 670 F CB 0.487 39.672 39.000 0.307 0.000 1.035 670 F HN 0.558 nan 8.300 nan 0.000 0.581 671 K N 4.852 124.962 120.400 -0.484 0.000 2.707 671 K HA 0.146 4.468 4.320 0.002 0.000 0.283 671 K C -1.353 175.031 176.600 -0.361 0.000 1.105 671 K CA -0.427 55.721 56.287 -0.231 0.000 1.018 671 K CB 0.778 33.227 32.500 -0.085 0.000 1.315 671 K HN 0.757 nan 8.250 nan 0.000 0.495 672 T N 0.418 114.836 114.554 -0.228 0.000 2.728 672 T HA 0.261 4.612 4.350 0.002 0.000 0.296 672 T C 0.445 175.130 174.700 -0.026 0.000 0.940 672 T CA -0.368 61.657 62.100 -0.124 0.000 1.013 672 T CB 1.518 70.405 68.868 0.033 0.000 0.912 672 T HN 0.780 nan 8.240 nan 0.000 0.484 673 E N 3.469 123.644 120.200 -0.042 0.000 2.756 673 E HA 0.117 4.468 4.350 0.002 0.000 0.192 673 E C 0.548 177.145 176.600 -0.005 0.000 1.022 673 E CA -0.331 56.062 56.400 -0.013 0.000 1.224 673 E CB 0.512 30.200 29.700 -0.020 0.000 1.252 673 E HN 0.655 nan 8.360 nan 0.000 0.494 674 N N -0.021 118.668 118.700 -0.018 0.000 2.405 674 N HA 0.020 4.762 4.740 0.002 0.000 0.269 674 N C -0.763 174.738 175.510 -0.013 0.000 1.249 674 N CA -0.200 52.844 53.050 -0.009 0.000 0.974 674 N CB 0.951 39.429 38.487 -0.014 0.000 1.204 674 N HN -0.073 nan 8.380 nan 0.000 0.565 675 Q N 0.043 119.838 119.800 -0.007 0.000 2.892 675 Q HA 0.150 4.491 4.340 0.002 0.000 0.237 675 Q C -0.932 175.052 176.000 -0.027 0.000 1.157 675 Q CA 0.392 56.190 55.803 -0.008 0.000 0.939 675 Q CB -0.483 28.254 28.738 -0.001 0.000 1.715 675 Q HN 0.386 nan 8.270 nan 0.000 0.451 676 T N -0.531 113.997 114.554 -0.043 0.000 3.767 676 T HA 0.308 4.659 4.350 0.002 0.000 0.360 676 T C -1.250 173.383 174.700 -0.112 0.000 1.181 676 T CA -0.921 61.136 62.100 -0.072 0.000 1.110 676 T CB 0.609 69.434 68.868 -0.072 0.000 1.201 676 T HN 0.369 nan 8.240 nan 0.000 0.474 677 R N 3.790 124.211 120.500 -0.133 0.000 2.265 677 R HA 0.595 4.936 4.340 0.002 0.000 0.314 677 R C -0.131 175.978 176.300 -0.318 0.000 1.053 677 R CA -0.544 55.415 56.100 -0.235 0.000 0.931 677 R CB 1.004 31.250 30.300 -0.089 0.000 1.024 677 R HN 0.602 nan 8.270 nan 0.000 0.457 678 Q N 0.970 120.475 119.800 -0.493 0.000 2.456 678 Q HA 0.282 4.623 4.340 0.002 0.000 0.283 678 Q C 0.097 175.837 176.000 -0.434 0.000 1.084 678 Q CA -0.753 54.838 55.803 -0.353 0.000 0.801 678 Q CB 2.369 30.970 28.738 -0.227 0.000 1.434 678 Q HN 0.259 nan 8.270 nan 0.000 0.419 679 V N -0.211 119.551 119.914 -0.252 0.000 2.492 679 V HA -0.001 4.120 4.120 0.002 0.000 0.241 679 V C 0.120 176.074 176.094 -0.233 0.000 1.041 679 V CA 0.241 62.359 62.300 -0.303 0.000 1.057 679 V CB 0.322 31.957 31.823 -0.312 0.000 0.711 679 V HN 0.682 nan 8.190 nan 0.000 0.468 680 V N 0.489 120.316 119.914 -0.145 0.000 3.625 680 V HA -0.225 3.896 4.120 0.002 0.000 0.501 680 V C -0.392 175.662 176.094 -0.067 0.000 0.682 680 V CA 0.234 62.481 62.300 -0.087 0.000 2.035 680 V CB -1.922 29.859 31.823 -0.071 0.000 2.457 680 V HN 0.589 nan 8.190 nan 0.000 0.508 681 c N 4.857 123.434 118.600 -0.038 0.000 2.482 681 c HA 0.488 5.059 4.570 0.002 0.000 0.317 681 c C 0.062 174.155 174.090 0.005 0.000 1.197 681 c CA -1.024 55.297 56.329 -0.013 0.000 1.432 681 c CB 1.485 43.988 42.510 -0.011 0.000 2.062 681 c HN 0.910 nan 8.230 nan 0.000 0.471 682 D N 2.072 122.482 120.400 0.017 0.000 2.389 682 D HA 0.192 4.833 4.640 0.002 0.000 0.263 682 D C 0.326 176.638 176.300 0.021 0.000 1.255 682 D CA 0.069 54.083 54.000 0.023 0.000 0.914 682 D CB 0.513 41.330 40.800 0.029 0.000 1.116 682 D HN 0.283 nan 8.370 nan 0.000 0.502 683 L N 2.366 123.599 121.223 0.018 0.000 2.783 683 L HA 0.311 4.652 4.340 0.002 0.000 0.236 683 L C 0.853 177.733 176.870 0.017 0.000 1.225 683 L CA 0.180 55.028 54.840 0.013 0.000 1.026 683 L CB -0.609 41.453 42.059 0.006 0.000 1.314 683 L HN 0.634 nan 8.230 nan 0.000 0.489 684 G N -0.115 108.700 108.800 0.025 0.000 3.153 684 G HA2 -0.305 3.656 3.960 0.002 0.000 0.686 684 G HA3 -0.305 3.656 3.960 0.002 0.000 0.686 684 G C 0.461 175.388 174.900 0.045 0.000 0.995 684 G CA 0.186 45.306 45.100 0.033 0.000 0.783 684 G HN 0.397 nan 8.290 nan 0.000 0.551 685 N N 1.625 120.365 118.700 0.066 0.000 2.006 685 N HA -0.025 4.716 4.740 0.002 0.000 0.196 685 N C -1.396 174.180 175.510 0.110 0.000 1.070 685 N CA 1.579 54.690 53.050 0.101 0.000 0.859 685 N CB 0.048 38.616 38.487 0.135 0.000 1.060 685 N HN 0.471 nan 8.380 nan 0.000 0.424 686 P HA 0.105 nan 4.420 nan 0.000 0.247 686 P C -1.021 176.308 177.300 0.048 0.000 1.756 686 P CA 0.189 63.370 63.100 0.135 0.000 1.117 686 P CB 0.212 32.029 31.700 0.194 0.000 1.869 687 M N 3.717 123.323 119.600 0.010 0.000 2.842 687 M HA 0.008 4.489 4.480 0.002 0.000 0.314 687 M C 0.352 176.636 176.300 -0.028 0.000 1.646 687 M CA 0.196 55.492 55.300 -0.007 0.000 1.484 687 M CB -0.125 32.464 32.600 -0.018 0.000 1.727 687 M HN 0.029 nan 8.290 nan 0.000 0.468 688 K N 3.031 123.424 120.400 -0.011 0.000 2.402 688 K HA 0.124 4.445 4.320 0.002 0.000 0.265 688 K C 0.153 176.736 176.600 -0.029 0.000 0.978 688 K CA 0.252 56.528 56.287 -0.018 0.000 0.913 688 K CB 0.150 32.649 32.500 -0.000 0.000 0.954 688 K HN 0.798 nan 8.250 nan 0.000 0.511 689 A N 0.216 123.016 122.820 -0.033 0.000 2.466 689 A HA 0.370 4.691 4.320 0.002 0.000 0.238 689 A C 1.187 178.758 177.584 -0.022 0.000 1.074 689 A CA 0.672 52.689 52.037 -0.033 0.000 0.774 689 A CB -0.471 18.509 19.000 -0.034 0.000 1.015 689 A HN 0.884 nan 8.150 nan 0.000 0.498 690 G N 1.240 110.027 108.800 -0.022 0.000 2.203 690 G HA2 -0.218 3.743 3.960 0.002 0.000 0.263 690 G HA3 -0.218 3.743 3.960 0.002 0.000 0.263 690 G C 0.387 175.280 174.900 -0.013 0.000 1.012 690 G CA 0.781 45.871 45.100 -0.016 0.000 0.749 690 G HN 1.186 nan 8.290 nan 0.000 0.512 691 T N 0.520 115.065 114.554 -0.014 0.000 2.737 691 T HA 0.464 4.815 4.350 0.002 0.000 0.296 691 T C 0.191 174.885 174.700 -0.009 0.000 0.922 691 T CA 0.212 62.306 62.100 -0.010 0.000 1.079 691 T CB 1.409 70.272 68.868 -0.009 0.000 0.892 691 T HN 0.494 nan 8.240 nan 0.000 0.514 692 Q N 4.286 124.081 119.800 -0.007 0.000 2.331 692 Q HA 0.634 4.975 4.340 0.002 0.000 0.267 692 Q C -1.358 174.640 176.000 -0.004 0.000 1.006 692 Q CA -0.714 55.085 55.803 -0.007 0.000 0.818 692 Q CB 0.842 29.575 28.738 -0.008 0.000 1.276 692 Q HN 0.604 nan 8.270 nan 0.000 0.450 693 L N 3.418 124.639 121.223 -0.003 0.000 2.301 693 L HA 0.728 5.069 4.340 0.002 0.000 0.264 693 L C -0.987 175.883 176.870 0.000 0.000 1.016 693 L CA -1.217 53.624 54.840 0.001 0.000 0.821 693 L CB 2.125 44.186 42.059 0.004 0.000 1.346 693 L HN 0.624 nan 8.230 nan 0.000 0.429 694 L N 1.424 122.650 121.223 0.003 0.000 2.752 694 L HA 0.712 5.053 4.340 0.002 0.000 0.257 694 L C -1.165 175.710 176.870 0.009 0.000 0.968 694 L CA 0.108 54.949 54.840 0.003 0.000 0.953 694 L CB 1.272 43.330 42.059 -0.001 0.000 1.286 694 L HN 0.790 nan 8.230 nan 0.000 0.443 695 A N 2.671 125.499 122.820 0.014 0.000 2.435 695 A HA 0.987 5.308 4.320 0.002 0.000 0.296 695 A C -0.441 177.160 177.584 0.028 0.000 1.147 695 A CA -0.182 51.868 52.037 0.022 0.000 0.775 695 A CB 1.738 20.756 19.000 0.031 0.000 1.340 695 A HN 0.671 nan 8.150 nan 0.000 0.427 696 G N -0.418 108.401 108.800 0.033 0.000 2.452 696 G HA2 0.591 4.552 3.960 0.002 0.000 0.324 696 G HA3 0.591 4.552 3.960 0.002 0.000 0.324 696 G C -1.150 173.785 174.900 0.058 0.000 1.214 696 G CA -0.518 44.605 45.100 0.037 0.000 0.947 696 G HN 0.622 nan 8.290 nan 0.000 0.478 697 L N 1.970 123.239 121.223 0.078 0.000 2.343 697 L HA 0.493 4.834 4.340 0.002 0.000 0.278 697 L C 0.259 177.086 176.870 -0.072 0.000 0.996 697 L CA -0.782 54.109 54.840 0.086 0.000 0.831 697 L CB 2.052 44.240 42.059 0.215 0.000 1.232 697 L HN 0.373 nan 8.230 nan 0.000 0.413 698 R N 3.032 123.398 120.500 -0.222 0.000 2.234 698 R HA 0.584 4.925 4.340 0.002 0.000 0.324 698 R C -1.145 174.813 176.300 -0.569 0.000 1.054 698 R CA -0.096 55.831 56.100 -0.288 0.000 0.912 698 R CB 0.736 30.896 30.300 -0.233 0.000 1.030 698 R HN 0.316 nan 8.270 nan 0.000 0.455 699 F N -0.339 119.689 119.950 0.129 0.000 2.654 699 F HA 0.485 5.014 4.527 0.002 0.000 0.334 699 F C 0.289 176.165 175.800 0.127 0.000 1.078 699 F CA -0.881 57.230 58.000 0.185 0.000 0.986 699 F CB 2.224 41.397 39.000 0.289 0.000 1.362 699 F HN 0.252 nan 8.300 nan 0.000 0.498 700 S N 1.023 116.942 115.700 0.364 0.000 2.653 700 S HA 0.510 4.981 4.470 0.002 0.000 0.268 700 S C -1.867 172.835 174.600 0.169 0.000 1.153 700 S CA -0.547 57.797 58.200 0.241 0.000 1.036 700 S CB 0.933 64.256 63.200 0.205 0.000 1.103 700 S HN 0.697 nan 8.310 nan 0.000 0.466 701 V N 5.963 125.954 119.914 0.129 0.000 2.732 701 V HA 0.669 4.790 4.120 0.002 0.000 0.310 701 V C 0.022 176.193 176.094 0.129 0.000 1.053 701 V CA 0.022 62.300 62.300 -0.038 0.000 0.957 701 V CB 1.509 33.333 31.823 0.002 0.000 1.018 701 V HN 1.057 nan 8.190 nan 0.000 0.452 702 H N 4.044 123.145 119.070 0.052 0.000 2.368 702 H HA 0.377 4.934 4.556 0.002 0.000 0.311 702 H C 0.442 175.789 175.328 0.032 0.000 1.042 702 H CA 0.871 56.945 56.048 0.044 0.000 1.377 702 H CB 0.087 29.875 29.762 0.042 0.000 1.473 702 H HN 0.839 nan 8.280 nan 0.000 0.593 703 Q N -0.935 118.933 119.800 0.113 0.000 3.020 703 Q HA 0.022 4.363 4.340 0.002 0.000 0.288 703 Q C -1.465 174.558 176.000 0.039 0.000 0.909 703 Q CA -0.399 55.435 55.803 0.052 0.000 0.852 703 Q CB 0.335 29.113 28.738 0.066 0.000 1.807 703 Q HN 0.066 nan 8.270 nan 0.000 0.562 704 Q N 0.667 120.479 119.800 0.021 0.000 2.089 704 Q HA 0.470 4.811 4.340 0.002 0.000 0.248 704 Q C -0.778 175.246 176.000 0.039 0.000 0.828 704 Q CA 1.053 56.868 55.803 0.020 0.000 1.102 704 Q CB 0.787 29.519 28.738 -0.011 0.000 1.221 704 Q HN 0.802 nan 8.270 nan 0.000 0.455 705 S N -0.369 115.369 115.700 0.064 0.000 3.883 705 S HA -0.234 4.237 4.470 0.002 0.000 0.629 705 S C 0.919 175.588 174.600 0.116 0.000 2.196 705 S CA 0.547 58.809 58.200 0.104 0.000 3.723 705 S CB -1.082 62.174 63.200 0.093 0.000 0.251 705 S HN 0.549 nan 8.310 nan 0.000 0.932 706 E N 1.125 121.415 120.200 0.149 0.000 2.265 706 E HA -0.136 4.215 4.350 0.002 0.000 0.196 706 E C 1.029 177.676 176.600 0.079 0.000 0.996 706 E CA 1.067 57.566 56.400 0.165 0.000 0.832 706 E CB -0.304 29.490 29.700 0.157 0.000 0.756 706 E HN 0.544 nan 8.360 nan 0.000 0.491 707 M N 3.168 122.798 119.600 0.050 0.000 3.004 707 M HA -0.227 4.254 4.480 0.002 0.000 0.454 707 M C -0.827 175.475 176.300 0.004 0.000 1.567 707 M CA 0.416 55.727 55.300 0.018 0.000 1.236 707 M CB -1.531 31.070 32.600 0.002 0.000 1.671 707 M HN 0.090 nan 8.290 nan 0.000 0.517 708 D N 0.168 120.576 120.400 0.013 0.000 4.111 708 D HA -0.261 4.380 4.640 0.002 0.000 0.290 708 D C 0.755 177.053 176.300 -0.004 0.000 2.255 708 D CA 1.269 55.272 54.000 0.005 0.000 1.109 708 D CB -0.907 39.889 40.800 -0.008 0.000 1.034 708 D HN 0.630 nan 8.370 nan 0.000 1.222 709 T N -1.531 113.017 114.554 -0.011 0.000 3.081 709 T HA 0.207 4.558 4.350 0.002 0.000 0.255 709 T C 0.372 175.049 174.700 -0.037 0.000 1.113 709 T CA 1.386 63.474 62.100 -0.021 0.000 1.082 709 T CB -0.112 68.747 68.868 -0.014 0.000 0.939 709 T HN 0.564 nan 8.240 nan 0.000 0.506 710 S N 0.076 115.753 115.700 -0.038 0.000 2.552 710 S HA 0.608 5.079 4.470 0.002 0.000 0.272 710 S C -0.914 173.650 174.600 -0.060 0.000 1.150 710 S CA -0.817 57.353 58.200 -0.049 0.000 0.849 710 S CB 1.450 64.626 63.200 -0.042 0.000 1.113 710 S HN 0.378 nan 8.310 nan 0.000 0.458 711 V N -0.310 119.560 119.914 -0.073 0.000 2.716 711 V HA 0.982 5.103 4.120 0.002 0.000 0.304 711 V C -0.694 175.332 176.094 -0.113 0.000 1.053 711 V CA -0.759 61.476 62.300 -0.109 0.000 0.984 711 V CB 0.800 32.548 31.823 -0.125 0.000 1.021 711 V HN 1.266 nan 8.190 nan 0.000 0.467 712 K N 2.308 122.602 120.400 -0.177 0.000 2.477 712 K HA 0.771 5.092 4.320 0.002 0.000 0.255 712 K C -1.598 174.851 176.600 -0.252 0.000 0.952 712 K CA -0.529 55.683 56.287 -0.125 0.000 0.826 712 K CB 1.785 34.246 32.500 -0.064 0.000 1.331 712 K HN 0.469 nan 8.250 nan 0.000 0.437 713 F N 0.646 120.485 119.950 -0.186 0.000 2.492 713 F HA 0.459 4.987 4.527 0.002 0.000 0.327 713 F C -0.367 175.382 175.800 -0.084 0.000 1.079 713 F CA -0.427 57.472 58.000 -0.169 0.000 0.967 713 F CB 1.886 40.760 39.000 -0.211 0.000 1.169 713 F HN 0.458 nan 8.300 nan 0.000 0.472 714 D N 3.130 123.586 120.400 0.093 0.000 2.492 714 D HA 0.477 5.118 4.640 0.002 0.000 0.248 714 D C -0.920 175.412 176.300 0.054 0.000 1.101 714 D CA -0.169 53.863 54.000 0.053 0.000 0.840 714 D CB 2.147 42.946 40.800 -0.002 0.000 1.209 714 D HN 0.291 nan 8.370 nan 0.000 0.524 715 L N 1.925 123.181 121.223 0.054 0.000 2.329 715 L HA 0.540 4.881 4.340 0.002 0.000 0.279 715 L C -0.121 176.758 176.870 0.016 0.000 1.014 715 L CA -0.477 54.386 54.840 0.038 0.000 0.814 715 L CB 1.913 43.998 42.059 0.044 0.000 1.257 715 L HN 0.143 nan 8.230 nan 0.000 0.424 716 Q N 3.167 122.971 119.800 0.007 0.000 2.468 716 Q HA 0.438 4.779 4.340 0.002 0.000 0.263 716 Q C -1.876 174.121 176.000 -0.005 0.000 0.979 716 Q CA -0.508 55.295 55.803 -0.001 0.000 0.932 716 Q CB 2.558 31.293 28.738 -0.005 0.000 1.462 716 Q HN 0.606 nan 8.270 nan 0.000 0.403 717 I N 2.483 123.049 120.570 -0.006 0.000 2.488 717 I HA 0.370 4.541 4.170 0.002 0.000 0.299 717 I C 0.022 176.133 176.117 -0.010 0.000 0.984 717 I CA -0.383 60.912 61.300 -0.008 0.000 1.250 717 I CB 1.608 39.602 38.000 -0.010 0.000 1.389 717 I HN 0.541 nan 8.210 nan 0.000 0.488 718 Q N 3.342 123.137 119.800 -0.009 0.000 2.528 718 Q HA 0.780 5.121 4.340 0.002 0.000 0.289 718 Q C -1.202 174.795 176.000 -0.004 0.000 1.091 718 Q CA -0.941 54.858 55.803 -0.007 0.000 0.797 718 Q CB 2.654 31.389 28.738 -0.005 0.000 1.466 718 Q HN 0.821 nan 8.270 nan 0.000 0.436 719 S N -1.439 114.260 115.700 -0.001 0.000 2.587 719 S HA 0.267 4.738 4.470 0.002 0.000 0.269 719 S C -0.414 174.200 174.600 0.024 0.000 1.154 719 S CA -0.639 57.564 58.200 0.006 0.000 0.824 719 S CB 1.016 64.202 63.200 -0.025 0.000 1.118 719 S HN 0.632 nan 8.310 nan 0.000 0.462 720 S N -0.050 115.683 115.700 0.055 0.000 2.763 720 S HA 0.203 4.674 4.470 0.002 0.000 0.237 720 S C 0.037 174.705 174.600 0.115 0.000 0.966 720 S CA -0.567 57.682 58.200 0.083 0.000 1.017 720 S CB -1.192 62.072 63.200 0.107 0.000 0.780 720 S HN 0.629 nan 8.310 nan 0.000 0.476 721 N N 1.280 120.023 118.700 0.072 0.000 2.488 721 N HA 0.274 5.015 4.740 0.002 0.000 0.274 721 N C 0.938 176.493 175.510 0.075 0.000 1.111 721 N CA -0.366 52.731 53.050 0.078 0.000 0.974 721 N CB 0.967 39.441 38.487 -0.023 0.000 1.089 721 N HN 0.243 nan 8.380 nan 0.000 0.465 722 L N 1.854 123.151 121.223 0.123 0.000 2.083 722 L HA -0.039 4.302 4.340 0.002 0.000 0.209 722 L C 0.240 177.031 176.870 -0.131 0.000 1.083 722 L CA 1.211 56.069 54.840 0.030 0.000 0.752 722 L CB -0.280 41.854 42.059 0.125 0.000 0.899 722 L HN 0.449 nan 8.230 nan 0.000 0.433 723 F N -0.640 119.311 119.950 0.002 0.000 2.492 723 F HA 0.231 4.759 4.527 0.002 0.000 0.327 723 F C 0.560 176.345 175.800 -0.025 0.000 1.079 723 F CA -1.016 56.978 58.000 -0.009 0.000 0.967 723 F CB 1.101 40.095 39.000 -0.010 0.000 1.169 723 F HN -0.061 nan 8.300 nan 0.000 0.472 724 D N 0.302 120.784 120.400 0.137 0.000 2.782 724 D HA -0.272 4.369 4.640 0.002 0.000 0.231 724 D C 1.403 177.716 176.300 0.021 0.000 1.163 724 D CA 0.934 54.972 54.000 0.065 0.000 0.680 724 D CB -0.467 40.374 40.800 0.069 0.000 1.062 724 D HN 0.584 nan 8.370 nan 0.000 0.425 725 K N -0.291 120.113 120.400 0.007 0.000 2.144 725 K HA -0.219 4.102 4.320 0.002 0.000 0.209 725 K C 0.986 177.578 176.600 -0.012 0.000 1.047 725 K CA 1.837 58.119 56.287 -0.008 0.000 0.927 725 K CB 0.172 32.660 32.500 -0.019 0.000 0.716 725 K HN 0.411 nan 8.250 nan 0.000 0.454 726 V N -3.273 116.634 119.914 -0.012 0.000 3.119 726 V HA 0.530 4.651 4.120 0.002 0.000 0.311 726 V C -0.442 175.646 176.094 -0.010 0.000 1.259 726 V CA -0.520 61.772 62.300 -0.012 0.000 1.067 726 V CB 1.679 33.495 31.823 -0.012 0.000 1.123 726 V HN 0.181 nan 8.190 nan 0.000 0.463 727 S N 0.415 116.108 115.700 -0.010 0.000 2.747 727 S HA 0.761 5.232 4.470 0.002 0.000 0.300 727 S C -2.743 171.852 174.600 -0.007 0.000 1.121 727 S CA -1.511 56.684 58.200 -0.009 0.000 0.995 727 S CB 1.317 64.512 63.200 -0.009 0.000 1.113 727 S HN 1.004 nan 8.310 nan 0.000 0.547 728 P HA 0.220 nan 4.420 nan 0.000 0.272 728 P C -0.732 176.566 177.300 -0.003 0.000 1.240 728 P CA -0.431 62.666 63.100 -0.004 0.000 0.791 728 P CB 0.390 32.088 31.700 -0.004 0.000 0.978 729 V N 1.843 121.756 119.914 -0.002 0.000 2.461 729 V HA 0.153 4.274 4.120 0.002 0.000 0.275 729 V C 0.556 176.654 176.094 0.007 0.000 1.047 729 V CA -0.315 61.986 62.300 0.001 0.000 0.955 729 V CB 1.180 33.002 31.823 -0.002 0.000 0.988 729 V HN 0.244 nan 8.190 nan 0.000 0.471 730 V N 4.155 124.077 119.914 0.014 0.000 2.350 730 V HA 0.354 4.475 4.120 0.002 0.000 0.285 730 V C 0.240 176.361 176.094 0.046 0.000 1.014 730 V CA -0.194 62.119 62.300 0.022 0.000 0.831 730 V CB 1.741 33.572 31.823 0.013 0.000 1.000 730 V HN 0.897 nan 8.190 nan 0.000 0.433 731 S N 3.674 119.405 115.700 0.052 0.000 2.499 731 S HA 0.500 4.971 4.470 0.002 0.000 0.279 731 S C -0.728 173.958 174.600 0.144 0.000 1.219 731 S CA -0.307 57.941 58.200 0.079 0.000 1.062 731 S CB 0.243 63.470 63.200 0.046 0.000 0.978 731 S HN 0.843 nan 8.310 nan 0.000 0.489 732 H N 3.756 122.857 119.070 0.051 0.000 2.727 732 H HA 0.524 5.081 4.556 0.002 0.000 0.330 732 H C -0.628 174.757 175.328 0.095 0.000 0.986 732 H CA -0.776 55.300 56.048 0.046 0.000 1.251 732 H CB 0.666 30.433 29.762 0.007 0.000 1.493 732 H HN 0.717 nan 8.280 nan 0.000 0.515 733 K N 2.946 123.342 120.400 -0.006 0.000 2.221 733 K HA 0.760 5.081 4.320 0.002 0.000 0.243 733 K C -1.503 174.978 176.600 -0.199 0.000 0.968 733 K CA -1.014 55.202 56.287 -0.119 0.000 0.846 733 K CB 2.114 34.602 32.500 -0.019 0.000 1.141 733 K HN 0.199 nan 8.250 nan 0.000 0.434 734 V N 1.291 121.119 119.914 -0.143 0.000 2.709 734 V HA 0.197 4.318 4.120 0.002 0.000 0.308 734 V C -1.116 174.938 176.094 -0.066 0.000 1.062 734 V CA -0.971 61.270 62.300 -0.099 0.000 0.901 734 V CB 1.902 33.659 31.823 -0.109 0.000 1.003 734 V HN 0.861 nan 8.190 nan 0.000 0.425 735 D N 2.623 122.987 120.400 -0.059 0.000 2.350 735 D HA 0.440 5.082 4.640 0.002 0.000 0.249 735 D C -0.523 175.717 176.300 -0.100 0.000 1.119 735 D CA -0.114 53.846 54.000 -0.067 0.000 0.886 735 D CB 1.024 41.792 40.800 -0.054 0.000 1.195 735 D HN 0.204 nan 8.370 nan 0.000 0.437 736 L N 2.357 123.523 121.223 -0.094 0.000 2.305 736 L HA 0.517 4.858 4.340 0.002 0.000 0.281 736 L C 0.339 177.135 176.870 -0.123 0.000 1.085 736 L CA -0.074 54.696 54.840 -0.117 0.000 0.813 736 L CB 0.819 42.812 42.059 -0.110 0.000 1.157 736 L HN 0.432 nan 8.230 nan 0.000 0.436 737 A N 3.492 126.228 122.820 -0.140 0.000 2.346 737 A HA 0.896 5.217 4.320 0.002 0.000 0.313 737 A C -1.051 176.578 177.584 0.075 0.000 1.140 737 A CA -0.592 51.421 52.037 -0.041 0.000 0.826 737 A CB 1.498 20.434 19.000 -0.107 0.000 1.332 737 A HN 0.360 nan 8.150 nan 0.000 0.457 738 V N 0.587 120.583 119.914 0.136 0.000 2.448 738 V HA 0.638 4.759 4.120 0.002 0.000 0.295 738 V C -1.012 175.186 176.094 0.175 0.000 1.025 738 V CA -0.357 62.015 62.300 0.120 0.000 0.859 738 V CB 1.049 32.883 31.823 0.018 0.000 0.988 738 V HN 0.747 nan 8.190 nan 0.000 0.431 739 L N 4.600 125.922 121.223 0.165 0.000 2.596 739 L HA 0.839 5.181 4.340 0.002 0.000 0.265 739 L C -0.387 176.567 176.870 0.141 0.000 0.962 739 L CA -0.156 54.702 54.840 0.029 0.000 0.891 739 L CB 1.628 43.467 42.059 -0.368 0.000 1.248 739 L HN 0.771 nan 8.230 nan 0.000 0.410 740 A N 4.508 127.461 122.820 0.222 0.000 2.483 740 A HA 0.819 5.140 4.320 0.002 0.000 0.308 740 A C -0.063 177.632 177.584 0.186 0.000 1.291 740 A CA 0.012 52.203 52.037 0.256 0.000 0.774 740 A CB 0.953 20.198 19.000 0.408 0.000 1.134 740 A HN 1.012 nan 8.150 nan 0.000 0.471 741 A N 3.016 125.908 122.820 0.120 0.000 2.915 741 A HA 0.527 4.848 4.320 0.002 0.000 0.292 741 A C 0.180 177.828 177.584 0.107 0.000 1.632 741 A CA -0.083 52.012 52.037 0.096 0.000 1.337 741 A CB -0.740 18.290 19.000 0.050 0.000 1.111 741 A HN 0.844 nan 8.150 nan 0.000 0.569 742 V N 2.347 122.348 119.914 0.145 0.000 2.743 742 V HA 0.579 4.700 4.120 0.002 0.000 0.301 742 V C 0.145 176.244 176.094 0.009 0.000 1.057 742 V CA -0.374 61.974 62.300 0.080 0.000 1.006 742 V CB 1.175 33.060 31.823 0.104 0.000 1.024 742 V HN 0.997 nan 8.190 nan 0.000 0.473 743 E N 2.671 122.750 120.200 -0.202 0.000 2.392 743 E HA 0.643 4.994 4.350 0.002 0.000 0.279 743 E C -1.250 175.153 176.600 -0.328 0.000 0.964 743 E CA -0.874 55.413 56.400 -0.188 0.000 0.777 743 E CB 2.627 32.312 29.700 -0.026 0.000 1.249 743 E HN 0.549 nan 8.360 nan 0.000 0.449 744 I N 1.805 122.259 120.570 -0.193 0.000 2.405 744 I HA 0.371 4.542 4.170 0.002 0.000 0.280 744 I C -0.761 175.382 176.117 0.045 0.000 1.027 744 I CA -0.623 60.613 61.300 -0.106 0.000 1.161 744 I CB 0.403 38.372 38.000 -0.051 0.000 1.300 744 I HN 0.444 nan 8.210 nan 0.000 0.463 745 R N 5.017 125.540 120.500 0.039 0.000 2.404 745 R HA 0.671 5.012 4.340 0.002 0.000 0.291 745 R C -0.165 176.180 176.300 0.074 0.000 1.025 745 R CA -0.611 55.519 56.100 0.049 0.000 0.991 745 R CB 1.801 32.111 30.300 0.016 0.000 1.053 745 R HN 0.738 nan 8.270 nan 0.000 0.479 746 G N 0.417 109.223 108.800 0.010 0.000 2.667 746 G HA2 0.556 4.517 3.960 0.002 0.000 0.298 746 G HA3 0.556 4.517 3.960 0.002 0.000 0.298 746 G C -1.700 173.068 174.900 -0.221 0.000 1.377 746 G CA -0.361 44.631 45.100 -0.180 0.000 0.964 746 G HN 0.415 nan 8.290 nan 0.000 0.493 747 V N -0.084 119.636 119.914 -0.324 0.000 3.120 747 V HA 0.808 4.929 4.120 0.002 0.000 0.303 747 V C -0.810 175.069 176.094 -0.358 0.000 1.238 747 V CA -0.632 61.510 62.300 -0.264 0.000 1.008 747 V CB 2.423 34.150 31.823 -0.160 0.000 1.064 747 V HN 1.069 nan 8.190 nan 0.000 0.434 748 S N 2.316 117.805 115.700 -0.351 0.000 2.454 748 S HA 0.494 4.965 4.470 0.002 0.000 0.306 748 S C 0.881 175.370 174.600 -0.186 0.000 1.100 748 S CA 0.411 58.368 58.200 -0.404 0.000 1.087 748 S CB 1.717 64.614 63.200 -0.505 0.000 1.019 748 S HN 1.187 nan 8.310 nan 0.000 0.480 749 S N 4.759 120.393 115.700 -0.109 0.000 2.500 749 S HA 0.124 4.595 4.470 0.002 0.000 0.210 749 S C -1.984 172.592 174.600 -0.041 0.000 1.101 749 S CA 0.525 58.691 58.200 -0.056 0.000 1.272 749 S CB -1.192 61.997 63.200 -0.018 0.000 1.071 749 S HN 0.674 nan 8.310 nan 0.000 0.397 750 P HA 0.213 nan 4.420 nan 0.000 0.274 750 P C -0.595 176.685 177.300 -0.033 0.000 1.291 750 P CA -0.073 63.022 63.100 -0.008 0.000 0.815 750 P CB 0.240 31.944 31.700 0.007 0.000 0.897 751 D N 1.772 122.148 120.400 -0.041 0.000 2.338 751 D HA -0.098 4.544 4.640 0.002 0.000 0.239 751 D C -0.238 176.033 176.300 -0.048 0.000 1.095 751 D CA 0.343 54.300 54.000 -0.072 0.000 0.888 751 D CB -0.212 40.545 40.800 -0.071 0.000 0.899 751 D HN 0.492 nan 8.370 nan 0.000 0.525 752 H N -1.023 117.949 119.070 -0.163 0.000 3.155 752 H HA 0.300 4.857 4.556 0.002 0.000 0.328 752 H C -1.891 173.228 175.328 -0.348 0.000 1.059 752 H CA -0.901 54.976 56.048 -0.284 0.000 1.378 752 H CB 1.945 31.508 29.762 -0.332 0.000 1.998 752 H HN -0.039 nan 8.280 nan 0.000 0.480 753 V N 4.282 124.120 119.914 -0.127 0.000 2.588 753 V HA 0.558 4.679 4.120 0.002 0.000 0.304 753 V C -1.391 174.553 176.094 -0.250 0.000 1.042 753 V CA -0.547 61.660 62.300 -0.156 0.000 0.877 753 V CB 1.133 32.888 31.823 -0.113 0.000 0.996 753 V HN 0.578 nan 8.190 nan 0.000 0.425 754 F N 6.179 126.140 119.950 0.019 0.000 2.390 754 F HA 0.446 4.974 4.527 0.002 0.000 0.361 754 F C 1.216 176.943 175.800 -0.122 0.000 1.124 754 F CA -0.683 57.306 58.000 -0.019 0.000 1.149 754 F CB 1.561 40.552 39.000 -0.016 0.000 1.160 754 F HN 0.374 nan 8.300 nan 0.000 0.501 755 L N 5.433 126.561 121.223 -0.159 0.000 2.349 755 L HA -0.117 4.224 4.340 0.002 0.000 0.220 755 L C -0.551 176.071 176.870 -0.414 0.000 1.130 755 L CA 1.445 55.949 54.840 -0.561 0.000 0.791 755 L CB -1.595 39.667 42.059 -1.328 0.000 0.918 755 L HN 0.389 nan 8.230 nan 0.000 0.444 756 P HA -0.168 nan 4.420 nan 0.000 0.218 756 P C 0.625 178.081 177.300 0.260 0.000 1.146 756 P CA 0.562 63.911 63.100 0.416 0.000 0.813 756 P CB -0.020 31.881 31.700 0.335 0.000 0.778 757 I N -1.261 119.362 120.570 0.088 0.000 6.340 757 I HA -0.190 3.981 4.170 0.002 0.000 0.126 757 I C -2.173 174.020 176.117 0.126 0.000 1.427 757 I CA -0.655 60.665 61.300 0.032 0.000 2.506 757 I CB -0.903 36.992 38.000 -0.174 0.000 2.696 757 I HN 0.005 nan 8.210 nan 0.000 0.291 758 P HA 0.015 nan 4.420 nan 0.000 0.260 758 P C -0.396 176.994 177.300 0.151 0.000 1.172 758 P CA 0.636 63.806 63.100 0.116 0.000 0.760 758 P CB 0.213 31.960 31.700 0.080 0.000 0.773 759 N N 2.508 121.302 118.700 0.156 0.000 2.816 759 N HA -0.240 4.501 4.740 0.002 0.000 0.308 759 N C -1.151 174.490 175.510 0.220 0.000 1.147 759 N CA 0.564 53.709 53.050 0.158 0.000 0.763 759 N CB -0.767 37.777 38.487 0.096 0.000 1.008 759 N HN 0.471 nan 8.380 nan 0.000 0.582 760 W N 2.034 123.356 121.300 0.038 0.000 2.950 760 W HA 0.574 5.236 4.660 0.002 0.000 0.340 760 W C -1.235 175.302 176.519 0.031 0.000 1.139 760 W CA -0.731 56.619 57.345 0.009 0.000 1.188 760 W CB 1.509 30.954 29.460 -0.024 0.000 1.426 760 W HN 0.326 nan 8.180 nan 0.000 0.531 761 E N 2.823 122.390 120.200 -1.055 0.000 2.272 761 E HA 0.072 4.424 4.350 0.002 0.000 0.269 761 E C -1.309 174.406 176.600 -1.476 0.000 0.877 761 E CA -1.095 54.701 56.400 -1.008 0.000 0.755 761 E CB 1.661 31.093 29.700 -0.448 0.000 1.192 761 E HN 0.325 nan 8.360 nan 0.000 0.422 762 H N 3.926 122.289 119.070 -1.178 0.000 2.934 762 H HA 0.127 4.684 4.556 0.002 0.000 0.273 762 H C -0.827 174.267 175.328 -0.389 0.000 1.121 762 H CA 0.004 55.595 56.048 -0.761 0.000 1.451 762 H CB 0.177 29.708 29.762 -0.385 0.000 1.469 762 H HN 0.160 nan 8.280 nan 0.000 0.476 763 K N 3.852 124.125 120.400 -0.212 0.000 2.118 763 K HA 0.034 4.355 4.320 0.002 0.000 0.267 763 K C 1.238 177.870 176.600 0.053 0.000 0.991 763 K CA -0.453 55.792 56.287 -0.071 0.000 0.916 763 K CB 1.559 33.979 32.500 -0.134 0.000 1.041 763 K HN 0.759 nan 8.250 nan 0.000 0.455 764 E N 1.845 122.083 120.200 0.065 0.000 2.046 764 E HA -0.146 4.205 4.350 0.002 0.000 0.190 764 E C -0.161 176.477 176.600 0.062 0.000 0.982 764 E CA 0.934 57.387 56.400 0.088 0.000 0.800 764 E CB 0.239 29.969 29.700 0.049 0.000 0.756 764 E HN 0.536 nan 8.360 nan 0.000 0.449 765 N N 1.035 119.753 118.700 0.029 0.000 2.716 765 N HA 0.221 4.962 4.740 0.002 0.000 0.253 765 N C -2.719 172.794 175.510 0.006 0.000 1.170 765 N CA -1.682 51.389 53.050 0.034 0.000 0.807 765 N CB 1.226 39.738 38.487 0.043 0.000 1.183 765 N HN 0.024 nan 8.380 nan 0.000 0.524 766 P HA 0.050 nan 4.420 nan 0.000 0.269 766 P C -0.559 176.734 177.300 -0.012 0.000 1.217 766 P CA 0.421 63.491 63.100 -0.050 0.000 0.783 766 P CB 1.138 32.773 31.700 -0.108 0.000 0.898 767 E N -0.787 119.404 120.200 -0.015 0.000 2.753 767 E HA 0.134 4.485 4.350 0.002 0.000 0.218 767 E C -0.548 176.055 176.600 0.006 0.000 0.956 767 E CA -0.143 56.259 56.400 0.004 0.000 1.244 767 E CB 0.835 30.539 29.700 0.007 0.000 1.114 767 E HN 0.569 nan 8.360 nan 0.000 0.530 768 T N -2.558 111.995 114.554 -0.003 0.000 2.885 768 T HA 0.201 4.552 4.350 0.002 0.000 0.322 768 T C 0.540 175.246 174.700 0.011 0.000 1.387 768 T CA -0.865 61.240 62.100 0.009 0.000 1.041 768 T CB 1.611 70.484 68.868 0.009 0.000 1.287 768 T HN -0.142 nan 8.240 nan 0.000 0.491 769 E N 0.545 120.762 120.200 0.029 0.000 2.187 769 E HA -0.238 4.113 4.350 0.002 0.000 0.199 769 E C 1.730 178.353 176.600 0.039 0.000 1.004 769 E CA 1.726 58.150 56.400 0.039 0.000 0.813 769 E CB 0.010 29.742 29.700 0.055 0.000 0.736 769 E HN 0.650 nan 8.360 nan 0.000 0.468 770 E N 1.098 121.323 120.200 0.041 0.000 2.072 770 E HA -0.177 4.174 4.350 0.002 0.000 0.191 770 E C 1.515 178.176 176.600 0.102 0.000 0.985 770 E CA 1.120 57.558 56.400 0.063 0.000 0.801 770 E CB -0.361 29.367 29.700 0.046 0.000 0.750 770 E HN 0.339 nan 8.360 nan 0.000 0.452 771 D N 0.683 121.111 120.400 0.047 0.000 2.264 771 D HA -0.070 4.571 4.640 0.002 0.000 0.208 771 D C 1.980 178.326 176.300 0.076 0.000 0.966 771 D CA 0.501 54.513 54.000 0.020 0.000 0.864 771 D CB 0.073 40.844 40.800 -0.048 0.000 0.933 771 D HN 0.034 nan 8.370 nan 0.000 0.499 772 V N -0.780 119.146 119.914 0.019 0.000 2.403 772 V HA 0.425 4.546 4.120 0.002 0.000 0.239 772 V C 1.318 177.340 176.094 -0.121 0.000 1.041 772 V CA 1.362 63.601 62.300 -0.102 0.000 1.051 772 V CB -0.097 31.673 31.823 -0.088 0.000 0.704 772 V HN 0.375 nan 8.190 nan 0.000 0.472 773 G N -0.367 108.390 108.800 -0.071 0.000 2.344 773 G HA2 0.243 4.204 3.960 0.002 0.000 0.282 773 G HA3 0.243 4.204 3.960 0.002 0.000 0.282 773 G C -3.217 171.642 174.900 -0.068 0.000 1.281 773 G CA -0.257 44.737 45.100 -0.176 0.000 0.877 773 G HN 0.111 nan 8.290 nan 0.000 0.494 774 P HA 0.443 nan 4.420 nan 0.000 0.274 774 P C -0.346 176.971 177.300 0.028 0.000 1.256 774 P CA -0.215 62.872 63.100 -0.023 0.000 0.795 774 P CB 1.364 33.038 31.700 -0.045 0.000 1.038 775 V N 1.767 121.711 119.914 0.049 0.000 2.304 775 V HA 0.100 4.221 4.120 0.002 0.000 0.269 775 V C 0.487 176.641 176.094 0.099 0.000 1.036 775 V CA -0.520 61.832 62.300 0.086 0.000 0.840 775 V CB 0.930 32.800 31.823 0.079 0.000 1.036 775 V HN 0.221 nan 8.190 nan 0.000 0.466 776 V N 5.455 125.455 119.914 0.143 0.000 2.461 776 V HA 0.347 4.469 4.120 0.002 0.000 0.275 776 V C 0.119 176.372 176.094 0.265 0.000 1.047 776 V CA -0.218 62.191 62.300 0.182 0.000 0.955 776 V CB 1.424 33.375 31.823 0.213 0.000 0.988 776 V HN 0.921 nan 8.190 nan 0.000 0.471 777 Q N 2.933 122.871 119.800 0.231 0.000 2.342 777 Q HA 0.505 4.846 4.340 0.002 0.000 0.267 777 Q C -1.573 174.610 176.000 0.305 0.000 1.038 777 Q CA -0.770 55.176 55.803 0.238 0.000 0.832 777 Q CB 1.608 30.399 28.738 0.089 0.000 1.323 777 Q HN 0.844 nan 8.270 nan 0.000 0.448 778 H N 2.582 121.724 119.070 0.119 0.000 2.547 778 H HA 0.443 5.000 4.556 0.002 0.000 0.342 778 H C -0.816 174.503 175.328 -0.015 0.000 1.048 778 H CA -0.475 55.599 56.048 0.042 0.000 1.204 778 H CB 1.129 31.028 29.762 0.228 0.000 1.493 778 H HN 0.458 nan 8.280 nan 0.000 0.511 779 I N 4.074 124.599 120.570 -0.074 0.000 2.378 779 I HA 0.212 4.384 4.170 0.002 0.000 0.291 779 I C -0.618 175.417 176.117 -0.138 0.000 0.992 779 I CA -0.649 60.662 61.300 0.019 0.000 1.154 779 I CB 0.505 38.509 38.000 0.007 0.000 1.315 779 I HN 0.604 nan 8.210 nan 0.000 0.448 780 Y N 4.083 124.476 120.300 0.155 0.000 2.350 780 Y HA 0.400 4.951 4.550 0.002 0.000 0.338 780 Y C 0.293 176.221 175.900 0.047 0.000 0.961 780 Y CA -0.548 57.605 58.100 0.087 0.000 1.100 780 Y CB 2.053 40.557 38.460 0.075 0.000 1.179 780 Y HN 0.518 nan 8.280 nan 0.000 0.454 781 E N 4.869 125.180 120.200 0.186 0.000 2.234 781 E HA 0.368 4.719 4.350 0.002 0.000 0.266 781 E C -1.888 174.715 176.600 0.005 0.000 0.877 781 E CA -0.717 55.730 56.400 0.078 0.000 0.758 781 E CB 1.601 31.334 29.700 0.056 0.000 1.170 781 E HN 0.598 nan 8.360 nan 0.000 0.415 782 L N 5.521 126.715 121.223 -0.049 0.000 2.280 782 L HA 0.517 4.858 4.340 0.002 0.000 0.287 782 L C -0.870 175.942 176.870 -0.097 0.000 1.023 782 L CA -0.482 54.263 54.840 -0.159 0.000 0.819 782 L CB 1.024 42.991 42.059 -0.154 0.000 1.212 782 L HN 0.649 nan 8.230 nan 0.000 0.420 783 R N 3.674 124.105 120.500 -0.114 0.000 2.513 783 R HA 0.347 4.688 4.340 0.002 0.000 0.301 783 R C -1.151 175.139 176.300 -0.015 0.000 0.968 783 R CA -0.657 55.415 56.100 -0.047 0.000 0.872 783 R CB 1.516 31.796 30.300 -0.033 0.000 1.177 783 R HN 0.630 nan 8.270 nan 0.000 0.444 784 N N 2.903 121.626 118.700 0.039 0.000 2.419 784 N HA 0.203 4.944 4.740 0.002 0.000 0.264 784 N C -0.604 174.937 175.510 0.051 0.000 1.031 784 N CA -0.327 52.783 53.050 0.100 0.000 0.951 784 N CB 1.085 39.660 38.487 0.146 0.000 1.101 784 N HN 0.668 nan 8.380 nan 0.000 0.488 785 N N 1.990 120.726 118.700 0.060 0.000 2.571 785 N HA 0.089 4.830 4.740 0.002 0.000 0.195 785 N C 0.581 176.124 175.510 0.055 0.000 1.040 785 N CA 0.086 53.162 53.050 0.042 0.000 0.890 785 N CB -0.447 38.058 38.487 0.030 0.000 1.233 785 N HN 0.567 nan 8.380 nan 0.000 0.435 786 G N 3.614 112.459 108.800 0.074 0.000 2.349 786 G HA2 -0.039 3.923 3.960 0.002 0.000 0.232 786 G HA3 -0.039 3.923 3.960 0.002 0.000 0.232 786 G C -1.070 173.886 174.900 0.093 0.000 1.240 786 G CA -0.565 44.579 45.100 0.073 0.000 0.870 786 G HN 0.097 nan 8.290 nan 0.000 0.528 787 P HA -0.126 nan 4.420 nan 0.000 0.216 787 P C 0.851 178.244 177.300 0.155 0.000 1.157 787 P CA 0.954 64.116 63.100 0.104 0.000 0.880 787 P CB 0.022 31.787 31.700 0.109 0.000 0.791 788 S N 0.161 115.987 115.700 0.210 0.000 2.576 788 S HA 0.227 4.698 4.470 0.002 0.000 0.276 788 S C 0.727 175.541 174.600 0.356 0.000 1.339 788 S CA -0.420 57.992 58.200 0.352 0.000 1.039 788 S CB 0.284 63.745 63.200 0.435 0.000 0.902 788 S HN 0.132 nan 8.310 nan 0.000 0.516 789 S N 1.534 117.463 115.700 0.381 0.000 2.707 789 S HA 0.775 5.246 4.470 0.002 0.000 0.276 789 S C -0.422 174.236 174.600 0.096 0.000 1.179 789 S CA -0.728 57.547 58.200 0.125 0.000 0.992 789 S CB 0.365 63.571 63.200 0.009 0.000 1.030 789 S HN 0.652 nan 8.310 nan 0.000 0.554 790 F N -1.251 118.578 119.950 -0.201 0.000 2.601 790 F HA 0.657 5.185 4.527 0.002 0.000 0.309 790 F C 0.378 175.998 175.800 -0.299 0.000 1.089 790 F CA -0.994 56.726 58.000 -0.467 0.000 0.940 790 F CB 1.136 39.722 39.000 -0.691 0.000 1.273 790 F HN 0.481 nan 8.300 nan 0.000 0.450 791 S N 0.265 115.947 115.700 -0.031 0.000 2.539 791 S HA 0.402 4.873 4.470 0.002 0.000 0.221 791 S C -0.045 174.590 174.600 0.059 0.000 0.987 791 S CA -0.114 58.061 58.200 -0.041 0.000 0.929 791 S CB -0.119 63.046 63.200 -0.059 0.000 0.832 791 S HN 0.698 nan 8.310 nan 0.000 0.492 792 K N 0.330 120.840 120.400 0.184 0.000 2.579 792 K HA 0.677 4.998 4.320 0.002 0.000 0.257 792 K C -1.473 175.160 176.600 0.056 0.000 0.950 792 K CA 0.207 56.564 56.287 0.117 0.000 0.862 792 K CB 1.563 34.086 32.500 0.039 0.000 1.317 792 K HN 0.249 nan 8.250 nan 0.000 0.436 793 A N 3.286 126.141 122.820 0.059 0.000 2.564 793 A HA 0.887 5.208 4.320 0.002 0.000 0.288 793 A C -1.616 175.955 177.584 -0.021 0.000 1.164 793 A CA -0.803 51.183 52.037 -0.085 0.000 0.712 793 A CB 1.560 20.380 19.000 -0.301 0.000 1.303 793 A HN 0.453 nan 8.150 nan 0.000 0.418 794 M N 1.318 120.903 119.600 -0.026 0.000 2.259 794 M HA 0.445 4.927 4.480 0.002 0.000 0.304 794 M C -1.385 174.910 176.300 -0.008 0.000 1.019 794 M CA -0.157 55.123 55.300 -0.034 0.000 0.922 794 M CB 0.960 33.550 32.600 -0.016 0.000 1.600 794 M HN 0.655 nan 8.290 nan 0.000 0.433 795 L N 3.753 124.922 121.223 -0.090 0.000 2.307 795 L HA 0.502 4.843 4.340 0.002 0.000 0.284 795 L C -0.828 175.903 176.870 -0.232 0.000 1.023 795 L CA -0.380 54.421 54.840 -0.066 0.000 0.810 795 L CB 0.979 42.999 42.059 -0.065 0.000 1.231 795 L HN 0.585 nan 8.230 nan 0.000 0.423 796 H N 5.324 124.355 119.070 -0.065 0.000 2.547 796 H HA 0.395 4.952 4.556 0.002 0.000 0.342 796 H C -1.270 173.976 175.328 -0.138 0.000 1.048 796 H CA -0.583 55.410 56.048 -0.092 0.000 1.204 796 H CB 2.437 32.157 29.762 -0.069 0.000 1.493 796 H HN 0.353 nan 8.280 nan 0.000 0.511 797 L N 3.623 124.819 121.223 -0.046 0.000 2.325 797 L HA 0.304 4.645 4.340 0.002 0.000 0.281 797 L C -0.544 176.325 176.870 -0.001 0.000 1.004 797 L CA -0.321 54.456 54.840 -0.106 0.000 0.823 797 L CB 1.575 43.521 42.059 -0.187 0.000 1.236 797 L HN 0.541 nan 8.230 nan 0.000 0.415 798 Q N 5.240 125.059 119.800 0.031 0.000 2.325 798 Q HA 0.282 4.623 4.340 0.002 0.000 0.262 798 Q C -1.597 174.503 176.000 0.165 0.000 0.968 798 Q CA -0.322 55.528 55.803 0.078 0.000 0.877 798 Q CB 2.080 30.840 28.738 0.038 0.000 1.253 798 Q HN 0.661 nan 8.270 nan 0.000 0.448 799 W N 6.094 127.372 121.300 -0.037 0.000 2.573 799 W HA 0.365 5.026 4.660 0.002 0.000 0.326 799 W C -2.652 173.876 176.519 0.014 0.000 1.049 799 W CA -2.471 54.857 57.345 -0.029 0.000 1.220 799 W CB 1.811 31.232 29.460 -0.065 0.000 1.373 799 W HN 0.418 nan 8.180 nan 0.000 0.507 800 P HA -0.070 nan 4.420 nan 0.000 0.263 800 P C -0.050 177.173 177.300 -0.128 0.000 1.601 800 P CA 0.348 63.261 63.100 -0.311 0.000 1.161 800 P CB -0.098 31.336 31.700 -0.442 0.000 1.730 801 Y N 4.884 125.190 120.300 0.010 0.000 2.153 801 Y HA 0.075 4.626 4.550 0.002 0.000 0.289 801 Y C 0.717 176.623 175.900 0.009 0.000 1.119 801 Y CA 1.303 59.465 58.100 0.104 0.000 1.116 801 Y CB 0.351 38.882 38.460 0.118 0.000 1.004 801 Y HN 0.092 nan 8.280 nan 0.000 0.501 802 K N -1.058 119.191 120.400 -0.251 0.000 2.482 802 K HA 0.252 4.573 4.320 0.002 0.000 0.257 802 K C -2.171 174.366 176.600 -0.104 0.000 0.969 802 K CA -0.957 55.126 56.287 -0.341 0.000 0.842 802 K CB 2.568 34.790 32.500 -0.463 0.000 1.359 802 K HN 0.016 nan 8.250 nan 0.000 0.441 803 Y N 2.333 122.514 120.300 -0.198 0.000 2.363 803 Y HA 0.180 4.731 4.550 0.002 0.000 0.325 803 Y C -0.793 175.049 175.900 -0.097 0.000 0.984 803 Y CA -0.558 57.459 58.100 -0.138 0.000 1.248 803 Y CB 0.730 39.088 38.460 -0.170 0.000 1.116 803 Y HN 0.697 nan 8.280 nan 0.000 0.470 804 N N 4.902 123.192 118.700 -0.682 0.000 2.696 804 N HA -0.304 4.437 4.740 0.002 0.000 0.256 804 N C -0.266 175.105 175.510 -0.233 0.000 1.031 804 N CA 1.618 54.375 53.050 -0.488 0.000 0.730 804 N CB -1.420 36.703 38.487 -0.606 0.000 0.894 804 N HN 1.017 nan 8.380 nan 0.000 0.544 805 N N -2.481 116.106 118.700 -0.188 0.000 2.863 805 N HA -0.270 4.471 4.740 0.002 0.000 0.245 805 N C -1.075 174.351 175.510 -0.139 0.000 1.001 805 N CA 1.359 54.330 53.050 -0.132 0.000 0.901 805 N CB -1.043 37.397 38.487 -0.078 0.000 1.124 805 N HN 0.696 nan 8.380 nan 0.000 0.582 806 N N 0.132 118.742 118.700 -0.149 0.000 2.417 806 N HA 0.322 5.063 4.740 0.002 0.000 0.274 806 N C -0.695 174.654 175.510 -0.269 0.000 0.987 806 N CA -0.568 52.406 53.050 -0.125 0.000 0.912 806 N CB 1.289 39.797 38.487 0.035 0.000 1.177 806 N HN -0.016 nan 8.380 nan 0.000 0.490 807 T N 1.775 116.014 114.554 -0.524 0.000 2.855 807 T HA 0.302 4.653 4.350 0.002 0.000 0.322 807 T C -0.120 174.400 174.700 -0.300 0.000 1.088 807 T CA 0.072 61.745 62.100 -0.712 0.000 1.104 807 T CB -0.048 67.989 68.868 -1.384 0.000 0.996 807 T HN 0.465 nan 8.240 nan 0.000 0.549 808 L N -0.001 121.107 121.223 -0.192 0.000 2.830 808 L HA 0.506 4.847 4.340 0.002 0.000 0.259 808 L C -0.585 176.312 176.870 0.045 0.000 0.943 808 L CA -0.904 53.922 54.840 -0.023 0.000 0.997 808 L CB 0.447 42.444 42.059 -0.102 0.000 1.427 808 L HN 0.645 nan 8.230 nan 0.000 0.456 809 L N 2.730 124.050 121.223 0.160 0.000 3.453 809 L HA -0.224 4.117 4.340 0.002 0.000 0.650 809 L C -1.005 176.183 176.870 0.529 0.000 1.276 809 L CA 0.405 55.414 54.840 0.281 0.000 1.063 809 L CB -0.510 41.601 42.059 0.088 0.000 1.664 809 L HN 0.963 nan 8.230 nan 0.000 0.878 810 Y N 2.699 123.175 120.300 0.294 0.000 2.531 810 Y HA 0.416 4.967 4.550 0.002 0.000 0.347 810 Y C 0.894 176.913 175.900 0.197 0.000 1.024 810 Y CA -0.523 57.736 58.100 0.264 0.000 1.306 810 Y CB 0.410 38.972 38.460 0.170 0.000 1.149 810 Y HN 0.207 nan 8.280 nan 0.000 0.527 811 I N 8.247 128.752 120.570 -0.108 0.000 2.598 811 I HA -0.115 4.056 4.170 0.002 0.000 0.284 811 I C 0.702 176.668 176.117 -0.251 0.000 1.140 811 I CA 0.368 61.502 61.300 -0.276 0.000 1.420 811 I CB 0.762 38.416 38.000 -0.578 0.000 1.387 811 I HN 0.823 nan 8.210 nan 0.000 0.553 812 L N 5.535 126.764 121.223 0.010 0.000 2.116 812 L HA 0.120 4.461 4.340 0.002 0.000 0.200 812 L C 0.514 177.443 176.870 0.099 0.000 1.084 812 L CA 0.534 55.448 54.840 0.124 0.000 0.766 812 L CB -0.078 42.117 42.059 0.227 0.000 0.930 812 L HN 0.775 nan 8.230 nan 0.000 0.453 813 H N -2.111 116.931 119.070 -0.047 0.000 3.094 813 H HA 0.380 4.937 4.556 0.002 0.000 0.335 813 H C -1.437 173.868 175.328 -0.038 0.000 1.254 813 H CA -1.117 54.864 56.048 -0.111 0.000 1.240 813 H CB 1.014 30.701 29.762 -0.126 0.000 1.936 813 H HN 0.070 nan 8.280 nan 0.000 0.536 814 Y N 0.595 120.584 120.300 -0.519 0.000 2.524 814 Y HA 0.700 5.251 4.550 0.002 0.000 0.344 814 Y C -1.236 174.402 175.900 -0.436 0.000 1.012 814 Y CA -1.075 56.751 58.100 -0.456 0.000 1.068 814 Y CB 1.729 40.033 38.460 -0.259 0.000 1.249 814 Y HN 0.625 nan 8.280 nan 0.000 0.468 815 D N 2.442 122.812 120.400 -0.049 0.000 2.419 815 D HA 0.570 5.211 4.640 0.002 0.000 0.234 815 D C -0.828 175.427 176.300 -0.075 0.000 1.014 815 D CA -0.381 53.592 54.000 -0.045 0.000 0.919 815 D CB 3.137 43.952 40.800 0.025 0.000 1.366 815 D HN 0.567 nan 8.370 nan 0.000 0.490 816 I N 0.504 120.999 120.570 -0.126 0.000 2.740 816 I HA 0.264 4.435 4.170 0.002 0.000 0.303 816 I C -0.858 175.102 176.117 -0.261 0.000 1.044 816 I CA -0.728 60.450 61.300 -0.202 0.000 1.064 816 I CB 2.261 40.214 38.000 -0.078 0.000 1.249 816 I HN 0.052 nan 8.210 nan 0.000 0.433 817 D N 3.103 123.318 120.400 -0.308 0.000 2.696 817 D HA 0.629 5.271 4.640 0.002 0.000 0.251 817 D C -0.035 176.179 176.300 -0.142 0.000 1.188 817 D CA 0.468 54.333 54.000 -0.224 0.000 0.876 817 D CB 2.083 42.716 40.800 -0.278 0.000 1.334 817 D HN 0.889 nan 8.370 nan 0.000 0.540 818 G N 3.198 111.940 108.800 -0.096 0.000 2.549 818 G HA2 -0.102 3.859 3.960 0.002 0.000 0.404 818 G HA3 -0.102 3.859 3.960 0.002 0.000 0.404 818 G C -2.492 172.366 174.900 -0.071 0.000 1.292 818 G CA -1.013 44.040 45.100 -0.079 0.000 0.935 818 G HN 0.411 nan 8.290 nan 0.000 0.512 819 P HA 0.361 nan 4.420 nan 0.000 0.249 819 P C -0.328 176.944 177.300 -0.046 0.000 1.737 819 P CA 0.493 63.557 63.100 -0.060 0.000 1.128 819 P CB -0.028 31.627 31.700 -0.076 0.000 1.942 820 M N 2.733 122.306 119.600 -0.045 0.000 2.413 820 M HA 0.340 4.821 4.480 0.002 0.000 0.287 820 M C -2.073 174.206 176.300 -0.035 0.000 1.186 820 M CA -0.518 54.759 55.300 -0.039 0.000 0.927 820 M CB 2.484 35.055 32.600 -0.048 0.000 1.715 820 M HN -0.109 nan 8.290 nan 0.000 0.478 821 N N 2.212 120.894 118.700 -0.031 0.000 2.269 821 N HA 0.708 5.449 4.740 0.002 0.000 0.304 821 N C -1.661 173.835 175.510 -0.023 0.000 1.072 821 N CA -0.249 52.791 53.050 -0.017 0.000 0.802 821 N CB 2.176 40.652 38.487 -0.018 0.000 1.348 821 N HN 0.685 nan 8.380 nan 0.000 0.484 822 c N -0.180 118.429 118.600 0.016 0.000 2.848 822 c HA 0.789 5.360 4.570 0.002 0.000 0.317 822 c C -0.138 173.969 174.090 0.028 0.000 1.260 822 c CA -0.387 55.931 56.329 -0.019 0.000 1.656 822 c CB 2.114 44.575 42.510 -0.081 0.000 2.174 822 c HN 0.626 nan 8.230 nan 0.000 0.479 823 T N 1.005 115.532 114.554 -0.046 0.000 3.071 823 T HA 0.361 4.713 4.350 0.002 0.000 0.311 823 T C -0.895 173.768 174.700 -0.062 0.000 1.042 823 T CA -0.161 61.933 62.100 -0.009 0.000 1.028 823 T CB 1.577 70.432 68.868 -0.022 0.000 1.068 823 T HN 0.683 nan 8.240 nan 0.000 0.451 824 S N 1.944 117.633 115.700 -0.018 0.000 2.475 824 S HA 0.212 4.683 4.470 0.002 0.000 0.281 824 S C 1.227 175.786 174.600 -0.068 0.000 1.198 824 S CA -0.772 57.384 58.200 -0.073 0.000 1.063 824 S CB 0.475 63.655 63.200 -0.034 0.000 0.972 824 S HN 0.774 nan 8.310 nan 0.000 0.486 825 D N 4.542 124.896 120.400 -0.077 0.000 2.392 825 D HA -0.060 4.581 4.640 0.002 0.000 0.228 825 D C 0.245 176.499 176.300 -0.077 0.000 1.003 825 D CA 0.822 54.786 54.000 -0.060 0.000 0.917 825 D CB -0.121 40.654 40.800 -0.042 0.000 0.890 825 D HN 0.517 nan 8.370 nan 0.000 0.532 826 M N -0.093 119.436 119.600 -0.117 0.000 2.484 826 M HA 0.209 4.690 4.480 0.002 0.000 0.289 826 M C -0.507 175.701 176.300 -0.152 0.000 1.206 826 M CA -0.876 54.336 55.300 -0.148 0.000 0.892 826 M CB 3.208 35.661 32.600 -0.245 0.000 1.712 826 M HN -0.224 nan 8.290 nan 0.000 0.462 827 E N 3.456 123.579 120.200 -0.127 0.000 2.417 827 E HA 0.197 4.548 4.350 0.002 0.000 0.261 827 E C -0.926 175.574 176.600 -0.167 0.000 1.000 827 E CA -0.298 56.035 56.400 -0.111 0.000 0.919 827 E CB 0.528 30.184 29.700 -0.074 0.000 0.955 827 E HN 0.572 nan 8.360 nan 0.000 0.455 828 I N 2.452 122.934 120.570 -0.148 0.000 2.395 828 I HA 0.274 4.445 4.170 0.002 0.000 0.289 828 I C -0.098 175.923 176.117 -0.161 0.000 1.023 828 I CA -0.742 60.439 61.300 -0.198 0.000 1.350 828 I CB 0.867 38.790 38.000 -0.129 0.000 1.409 828 I HN 0.670 nan 8.210 nan 0.000 0.507 829 N N 5.230 123.782 118.700 -0.247 0.000 2.699 829 N HA -0.101 4.640 4.740 0.002 0.000 0.257 829 N C -1.707 173.826 175.510 0.038 0.000 1.077 829 N CA 0.707 53.714 53.050 -0.073 0.000 0.702 829 N CB -0.572 37.936 38.487 0.035 0.000 0.886 829 N HN 0.696 nan 8.380 nan 0.000 0.549 830 P HA -0.081 nan 4.420 nan 0.000 0.230 830 P C 0.851 178.233 177.300 0.136 0.000 1.158 830 P CA 0.887 64.029 63.100 0.071 0.000 0.769 830 P CB 0.154 31.889 31.700 0.058 0.000 0.807 831 L N -1.236 120.126 121.223 0.230 0.000 2.857 831 L HA 0.336 4.677 4.340 0.002 0.000 0.249 831 L C 0.407 177.367 176.870 0.150 0.000 1.172 831 L CA -0.602 54.353 54.840 0.192 0.000 0.980 831 L CB -0.253 41.943 42.059 0.228 0.000 1.299 831 L HN -0.271 nan 8.230 nan 0.000 0.535 832 R N 1.237 121.819 120.500 0.137 0.000 3.301 832 R HA -0.156 4.185 4.340 0.002 0.000 0.249 832 R C -0.152 176.205 176.300 0.094 0.000 0.964 832 R CA 0.612 56.768 56.100 0.093 0.000 0.653 832 R CB -2.323 28.009 30.300 0.054 0.000 1.043 832 R HN 0.423 nan 8.270 nan 0.000 0.454 833 I N 1.996 122.651 120.570 0.142 0.000 2.483 833 I HA -0.021 4.150 4.170 0.002 0.000 0.291 833 I C 0.971 177.138 176.117 0.084 0.000 1.112 833 I CA 0.411 61.774 61.300 0.105 0.000 1.350 833 I CB 0.336 38.401 38.000 0.109 0.000 1.419 833 I HN -0.221 nan 8.210 nan 0.000 0.523 834 K N 6.697 127.124 120.400 0.045 0.000 2.098 834 K HA 0.461 4.782 4.320 0.002 0.000 0.258 834 K C -0.069 176.543 176.600 0.021 0.000 0.973 834 K CA -0.960 55.340 56.287 0.023 0.000 0.898 834 K CB 2.338 34.840 32.500 0.003 0.000 1.057 834 K HN 0.531 nan 8.250 nan 0.000 0.447 835 I N 1.475 122.052 120.570 0.012 0.000 2.872 835 I HA -0.164 4.007 4.170 0.002 0.000 0.291 835 I C -0.041 176.082 176.117 0.011 0.000 1.216 835 I CA 1.034 62.343 61.300 0.015 0.000 1.424 835 I CB 0.351 38.356 38.000 0.008 0.000 1.351 835 I HN 0.729 nan 8.210 nan 0.000 0.592 836 S N 3.467 119.176 115.700 0.015 0.000 3.457 836 S HA -0.180 4.291 4.470 0.002 0.000 0.661 836 S C -0.023 174.582 174.600 0.008 0.000 2.434 836 S CA 0.425 58.632 58.200 0.012 0.000 2.585 836 S CB -0.651 62.554 63.200 0.008 0.000 0.323 836 S HN 0.952 nan 8.310 nan 0.000 1.673 837 S N -1.194 114.510 115.700 0.006 0.000 3.856 837 S HA 0.401 4.873 4.470 0.002 0.000 0.290 837 S C -0.403 174.198 174.600 0.003 0.000 1.095 837 S CA -0.299 57.903 58.200 0.004 0.000 1.307 837 S CB -0.186 63.015 63.200 0.003 0.000 1.721 837 S HN 0.849 nan 8.310 nan 0.000 0.462 869 I N 1.149 121.787 120.570 0.115 0.000 2.163 869 I HA -0.172 3.999 4.170 0.002 0.000 0.243 869 I C 1.667 177.918 176.117 0.224 0.000 1.085 869 I CA 2.164 63.576 61.300 0.186 0.000 1.347 869 I CB -0.076 38.051 38.000 0.213 0.000 1.044 869 I HN 0.181 nan 8.210 nan 0.000 0.408 870 H N -2.482 116.581 119.070 -0.011 0.000 2.286 870 H HA 0.137 4.694 4.556 0.002 0.000 0.163 870 H C 0.461 175.805 175.328 0.028 0.000 1.015 870 H CA 0.370 56.400 56.048 -0.029 0.000 1.107 870 H CB -0.122 29.590 29.762 -0.085 0.000 1.050 870 H HN 0.066 nan 8.280 nan 0.000 0.360 871 T N 2.947 117.587 114.554 0.144 0.000 2.871 871 T HA 0.121 4.472 4.350 0.002 0.000 0.296 871 T C -0.057 174.639 174.700 -0.006 0.000 0.998 871 T CA -0.049 62.076 62.100 0.041 0.000 1.162 871 T CB -0.381 68.494 68.868 0.011 0.000 0.947 871 T HN 0.137 nan 8.240 nan 0.000 0.536 872 L N 6.088 127.278 121.223 -0.054 0.000 2.435 872 L HA 0.463 4.804 4.340 0.002 0.000 0.253 872 L C 1.075 177.894 176.870 -0.084 0.000 1.087 872 L CA -0.900 53.881 54.840 -0.099 0.000 0.950 872 L CB 0.652 42.597 42.059 -0.191 0.000 1.304 872 L HN 0.777 nan 8.230 nan 0.000 0.453 873 G N -0.369 108.404 108.800 -0.045 0.000 2.522 873 G HA2 0.200 4.162 3.960 0.002 0.000 0.304 873 G HA3 0.200 4.162 3.960 0.002 0.000 0.304 873 G C 0.736 175.625 174.900 -0.019 0.000 1.210 873 G CA -0.400 44.677 45.100 -0.038 0.000 0.960 873 G HN 0.541 nan 8.290 nan 0.000 0.497 874 c N -0.021 118.572 118.600 -0.012 0.000 2.466 874 c HA 0.073 4.644 4.570 0.002 0.000 0.283 874 c C 2.700 176.800 174.090 0.017 0.000 1.472 874 c CA 0.751 57.086 56.329 0.010 0.000 1.765 874 c CB -1.200 41.321 42.510 0.018 0.000 1.724 874 c HN 0.868 nan 8.230 nan 0.000 0.560 875 G N 0.125 108.933 108.800 0.013 0.000 2.464 875 G HA2 -0.008 3.953 3.960 0.002 0.000 0.217 875 G HA3 -0.008 3.953 3.960 0.002 0.000 0.217 875 G C 1.234 176.154 174.900 0.033 0.000 1.138 875 G CA 1.471 46.581 45.100 0.017 0.000 0.793 875 G HN 0.583 nan 8.290 nan 0.000 0.539 876 V N -3.711 116.231 119.914 0.047 0.000 3.176 876 V HA 0.808 4.929 4.120 0.002 0.000 0.332 876 V C 0.276 176.455 176.094 0.141 0.000 1.414 876 V CA -0.182 62.172 62.300 0.090 0.000 1.133 876 V CB -0.379 31.500 31.823 0.092 0.000 1.088 876 V HN 0.480 nan 8.190 nan 0.000 0.473 877 A N -0.487 122.386 122.820 0.088 0.000 2.594 877 A HA 0.788 5.109 4.320 0.002 0.000 0.291 877 A C -0.856 176.758 177.584 0.051 0.000 1.105 877 A CA -0.777 51.314 52.037 0.090 0.000 0.694 877 A CB 1.525 20.571 19.000 0.077 0.000 1.291 877 A HN 0.189 nan 8.150 nan 0.000 0.410 878 Q N -0.244 119.581 119.800 0.042 0.000 2.330 878 Q HA 0.312 4.653 4.340 0.002 0.000 0.279 878 Q C -0.528 175.551 176.000 0.132 0.000 1.024 878 Q CA 0.645 56.492 55.803 0.074 0.000 0.900 878 Q CB 0.713 29.498 28.738 0.079 0.000 1.221 878 Q HN 0.692 nan 8.270 nan 0.000 0.396 879 c N 5.017 123.688 118.600 0.117 0.000 2.281 879 c HA 0.486 5.057 4.570 0.002 0.000 0.325 879 c C -1.018 173.137 174.090 0.109 0.000 1.282 879 c CA -0.879 55.521 56.329 0.119 0.000 1.640 879 c CB -0.127 42.423 42.510 0.066 0.000 2.288 879 c HN 0.698 nan 8.230 nan 0.000 0.507 880 L N 6.783 128.093 121.223 0.145 0.000 2.259 880 L HA 0.489 4.830 4.340 0.002 0.000 0.288 880 L C 0.026 176.918 176.870 0.037 0.000 1.051 880 L CA 0.453 55.293 54.840 0.000 0.000 0.824 880 L CB 0.292 42.312 42.059 -0.066 0.000 1.206 880 L HN 0.744 nan 8.230 nan 0.000 0.429 881 K N 5.037 125.426 120.400 -0.017 0.000 2.098 881 K HA 0.637 4.958 4.320 0.002 0.000 0.258 881 K C -1.077 175.475 176.600 -0.081 0.000 0.973 881 K CA -0.667 55.614 56.287 -0.010 0.000 0.898 881 K CB 1.428 33.936 32.500 0.014 0.000 1.057 881 K HN 0.642 nan 8.250 nan 0.000 0.447 882 I N 3.394 123.903 120.570 -0.103 0.000 2.529 882 I HA 0.136 4.307 4.170 0.002 0.000 0.284 882 I C -0.997 175.003 176.117 -0.195 0.000 1.088 882 I CA -0.935 60.242 61.300 -0.206 0.000 1.062 882 I CB 1.946 39.727 38.000 -0.365 0.000 1.218 882 I HN 0.297 nan 8.210 nan 0.000 0.442 883 V N 6.687 126.484 119.914 -0.194 0.000 2.427 883 V HA 0.507 4.629 4.120 0.002 0.000 0.286 883 V C -0.530 175.409 176.094 -0.259 0.000 1.034 883 V CA 0.006 62.129 62.300 -0.294 0.000 0.893 883 V CB 1.429 33.109 31.823 -0.238 0.000 0.982 883 V HN 0.882 nan 8.190 nan 0.000 0.452 884 c N 5.546 123.971 118.600 -0.292 0.000 2.408 884 c HA 0.628 5.199 4.570 0.002 0.000 0.321 884 c C -0.420 173.579 174.090 -0.151 0.000 1.245 884 c CA -0.792 55.424 56.329 -0.188 0.000 1.523 884 c CB 1.333 43.744 42.510 -0.164 0.000 2.178 884 c HN 0.916 nan 8.230 nan 0.000 0.488 885 Q N 1.680 121.423 119.800 -0.095 0.000 2.303 885 Q HA 0.666 5.007 4.340 0.002 0.000 0.257 885 Q C -0.435 175.545 176.000 -0.032 0.000 0.941 885 Q CA -0.056 55.711 55.803 -0.060 0.000 0.931 885 Q CB 1.171 29.882 28.738 -0.045 0.000 1.215 885 Q HN 0.587 nan 8.270 nan 0.000 0.437 886 V N 0.928 120.841 119.914 -0.001 0.000 2.919 886 V HA 0.957 5.078 4.120 0.002 0.000 0.316 886 V C 0.141 176.280 176.094 0.075 0.000 1.077 886 V CA -0.814 61.513 62.300 0.045 0.000 0.977 886 V CB 2.299 34.187 31.823 0.108 0.000 1.039 886 V HN 0.798 nan 8.190 nan 0.000 0.441 887 G N 2.380 111.212 108.800 0.053 0.000 2.029 887 G HA2 0.529 4.490 3.960 0.002 0.000 0.293 887 G HA3 0.529 4.490 3.960 0.002 0.000 0.293 887 G C -0.613 174.230 174.900 -0.094 0.000 1.362 887 G CA -0.585 44.527 45.100 0.020 0.000 1.226 887 G HN 0.707 nan 8.290 nan 0.000 0.599 888 R N 0.966 121.328 120.500 -0.228 0.000 2.318 888 R HA -0.123 4.218 4.340 0.002 0.000 0.352 888 R C -1.316 174.691 176.300 -0.489 0.000 1.046 888 R CA 0.158 56.012 56.100 -0.410 0.000 0.745 888 R CB -1.235 28.931 30.300 -0.224 0.000 2.292 888 R HN 0.525 nan 8.270 nan 0.000 0.475 889 L N 4.681 125.377 121.223 -0.879 0.000 2.366 889 L HA 0.392 4.733 4.340 0.002 0.000 0.266 889 L C 0.560 177.117 176.870 -0.521 0.000 1.010 889 L CA -0.878 53.592 54.840 -0.616 0.000 0.879 889 L CB 1.371 43.062 42.059 -0.613 0.000 1.228 889 L HN 0.380 nan 8.230 nan 0.000 0.439 890 D N 1.461 121.692 120.400 -0.281 0.000 2.398 890 D HA 0.082 4.723 4.640 0.002 0.000 0.264 890 D C 1.104 177.354 176.300 -0.082 0.000 1.263 890 D CA -0.464 53.444 54.000 -0.154 0.000 1.037 890 D CB 0.752 41.500 40.800 -0.087 0.000 1.101 890 D HN 0.272 nan 8.370 nan 0.000 0.551 891 R N 0.426 120.917 120.500 -0.015 0.000 2.320 891 R HA -0.244 4.097 4.340 0.002 0.000 0.194 891 R C 0.905 177.205 176.300 0.001 0.000 1.075 891 R CA 2.294 58.401 56.100 0.013 0.000 0.442 891 R CB -1.276 29.033 30.300 0.014 0.000 0.754 891 R HN 0.594 nan 8.270 nan 0.000 0.265 892 G N 0.407 109.198 108.800 -0.014 0.000 4.943 892 G HA2 0.378 4.339 3.960 0.002 0.000 0.315 892 G HA3 0.378 4.339 3.960 0.002 0.000 0.315 892 G C -1.110 173.773 174.900 -0.029 0.000 1.437 892 G CA -0.591 44.500 45.100 -0.014 0.000 1.027 892 G HN 0.098 nan 8.290 nan 0.000 0.567 893 K N 0.306 120.676 120.400 -0.051 0.000 2.328 893 K HA 0.755 5.076 4.320 0.002 0.000 0.246 893 K C -0.507 176.056 176.600 -0.062 0.000 0.955 893 K CA -0.698 55.551 56.287 -0.064 0.000 0.817 893 K CB 2.137 34.578 32.500 -0.098 0.000 1.208 893 K HN 0.151 nan 8.250 nan 0.000 0.432 894 S N -0.113 115.557 115.700 -0.051 0.000 2.801 894 S HA 0.869 5.340 4.470 0.002 0.000 0.312 894 S C -1.080 173.489 174.600 -0.051 0.000 1.112 894 S CA -0.820 57.355 58.200 -0.041 0.000 0.943 894 S CB 1.795 64.981 63.200 -0.023 0.000 1.269 894 S HN 0.715 nan 8.310 nan 0.000 0.558 895 A N 1.045 123.838 122.820 -0.044 0.000 2.488 895 A HA 0.751 5.072 4.320 0.002 0.000 0.295 895 A C -1.483 176.066 177.584 -0.058 0.000 1.045 895 A CA -0.584 51.419 52.037 -0.057 0.000 0.703 895 A CB 0.631 19.608 19.000 -0.039 0.000 1.271 895 A HN 0.650 nan 8.150 nan 0.000 0.400 896 I N 2.549 123.050 120.570 -0.115 0.000 2.499 896 I HA 0.404 4.575 4.170 0.002 0.000 0.288 896 I C -0.678 175.285 176.117 -0.256 0.000 1.048 896 I CA -0.538 60.685 61.300 -0.129 0.000 1.062 896 I CB 1.924 39.866 38.000 -0.097 0.000 1.238 896 I HN 0.578 nan 8.210 nan 0.000 0.426 897 L N 6.584 127.775 121.223 -0.053 0.000 2.292 897 L HA 0.449 4.790 4.340 0.002 0.000 0.284 897 L C -1.231 175.749 176.870 0.182 0.000 1.065 897 L CA -0.419 54.411 54.840 -0.017 0.000 0.806 897 L CB 0.935 43.023 42.059 0.048 0.000 1.175 897 L HN 0.608 nan 8.230 nan 0.000 0.431 898 Y N 4.762 125.095 120.300 0.055 0.000 2.575 898 Y HA 0.291 4.842 4.550 0.002 0.000 0.326 898 Y C -0.075 175.840 175.900 0.025 0.000 0.979 898 Y CA -1.266 56.857 58.100 0.039 0.000 1.286 898 Y CB 1.602 40.069 38.460 0.011 0.000 1.093 898 Y HN 0.239 nan 8.280 nan 0.000 0.501 899 V N 3.985 124.012 119.914 0.188 0.000 2.406 899 V HA 0.197 4.318 4.120 0.002 0.000 0.272 899 V C -0.051 176.074 176.094 0.051 0.000 1.043 899 V CA -0.819 61.503 62.300 0.036 0.000 0.915 899 V CB 1.216 32.978 31.823 -0.103 0.000 0.988 899 V HN 0.599 nan 8.190 nan 0.000 0.466 900 K N 4.255 124.664 120.400 0.014 0.000 2.389 900 K HA 0.574 4.895 4.320 0.002 0.000 0.261 900 K C 0.003 176.654 176.600 0.086 0.000 1.014 900 K CA -0.206 56.128 56.287 0.079 0.000 0.920 900 K CB 1.157 33.723 32.500 0.110 0.000 1.149 900 K HN 0.904 nan 8.250 nan 0.000 0.444 901 S N 3.289 119.078 115.700 0.149 0.000 2.823 901 S HA 0.674 5.145 4.470 0.002 0.000 0.316 901 S C -1.043 173.713 174.600 0.259 0.000 1.116 901 S CA -0.943 57.389 58.200 0.220 0.000 0.911 901 S CB 1.172 64.563 63.200 0.317 0.000 1.276 901 S HN 0.338 nan 8.310 nan 0.000 0.565 902 L N 1.343 122.757 121.223 0.319 0.000 2.470 902 L HA 0.458 4.799 4.340 0.002 0.000 0.268 902 L C -0.743 176.271 176.870 0.239 0.000 0.964 902 L CA -0.714 54.270 54.840 0.241 0.000 0.839 902 L CB 1.862 44.057 42.059 0.227 0.000 1.276 902 L HN 0.817 nan 8.230 nan 0.000 0.403 903 L N 2.243 123.538 121.223 0.121 0.000 2.477 903 L HA -0.039 4.303 4.340 0.002 0.000 0.272 903 L C 0.529 177.433 176.870 0.057 0.000 1.157 903 L CA 0.302 55.179 54.840 0.062 0.000 0.889 903 L CB 0.672 42.696 42.059 -0.058 0.000 1.158 903 L HN 0.842 nan 8.230 nan 0.000 0.473 904 W N 4.696 125.926 121.300 -0.117 0.000 2.525 904 W HA -0.094 4.567 4.660 0.002 0.000 0.259 904 W C 1.680 178.012 176.519 -0.311 0.000 1.253 904 W CA 1.324 58.574 57.345 -0.158 0.000 1.262 904 W CB -0.110 29.298 29.460 -0.087 0.000 1.122 904 W HN 0.866 nan 8.180 nan 0.000 0.607 905 T N -0.875 113.466 114.554 -0.355 0.000 7.366 905 T HA -0.312 4.039 4.350 0.002 0.000 0.298 905 T C 0.529 174.779 174.700 -0.750 0.000 2.046 905 T CA 1.467 63.073 62.100 -0.824 0.000 3.126 905 T CB -1.416 66.552 68.868 -1.499 0.000 2.130 905 T HN 0.131 nan 8.240 nan 0.000 1.215 906 E N 1.059 121.129 120.200 -0.216 0.000 2.437 906 E HA 0.165 4.516 4.350 0.002 0.000 0.189 906 E C 0.805 177.508 176.600 0.172 0.000 1.054 906 E CA 0.217 56.661 56.400 0.073 0.000 0.874 906 E CB 0.038 29.929 29.700 0.319 0.000 1.011 906 E HN 0.698 nan 8.360 nan 0.000 0.474 907 T N 0.489 115.071 114.554 0.047 0.000 4.058 907 T HA 0.162 4.513 4.350 0.002 0.000 0.252 907 T C -0.192 174.714 174.700 0.343 0.000 1.264 907 T CA -0.197 61.980 62.100 0.128 0.000 1.094 907 T CB -0.456 68.412 68.868 0.000 0.000 1.316 907 T HN -0.064 nan 8.240 nan 0.000 0.872 908 F N 2.051 122.125 119.950 0.207 0.000 2.688 908 F HA 0.470 4.998 4.527 0.002 0.000 0.376 908 F C 0.151 176.156 175.800 0.341 0.000 1.428 908 F CA -1.730 56.452 58.000 0.303 0.000 1.156 908 F CB 0.803 39.943 39.000 0.234 0.000 1.141 908 F HN 0.256 nan 8.300 nan 0.000 0.521 909 M N 1.831 121.686 119.600 0.426 0.000 3.494 909 M HA 0.174 4.655 4.480 0.002 0.000 0.213 909 M C 1.246 177.619 176.300 0.122 0.000 1.255 909 M CA 0.072 55.515 55.300 0.239 0.000 1.360 909 M CB -0.409 32.327 32.600 0.227 0.000 1.138 909 M HN 0.284 nan 8.290 nan 0.000 0.615 910 N N -0.058 118.642 118.700 0.000 0.000 2.571 910 N HA -0.136 4.605 4.740 0.002 0.000 0.189 910 N C 1.202 176.616 175.510 -0.159 0.000 1.154 910 N CA 0.356 53.290 53.050 -0.194 0.000 0.907 910 N CB 0.288 38.470 38.487 -0.508 0.000 0.977 910 N HN 0.347 nan 8.380 nan 0.000 0.449 911 K N 0.798 121.153 120.400 -0.075 0.000 2.098 911 K HA 0.010 4.331 4.320 0.002 0.000 0.203 911 K C 0.088 176.663 176.600 -0.042 0.000 1.051 911 K CA 0.834 57.087 56.287 -0.057 0.000 0.957 911 K CB 0.271 32.759 32.500 -0.021 0.000 0.738 911 K HN 0.155 nan 8.250 nan 0.000 0.447 912 E N -0.204 119.987 120.200 -0.015 0.000 2.336 912 E HA 0.263 4.614 4.350 0.002 0.000 0.267 912 E C -0.229 176.363 176.600 -0.014 0.000 0.906 912 E CA -0.520 55.874 56.400 -0.011 0.000 0.781 912 E CB 1.012 30.721 29.700 0.014 0.000 1.261 912 E HN 0.200 nan 8.360 nan 0.000 0.436 913 N N 1.446 120.130 118.700 -0.026 0.000 1.293 913 N HA -0.309 4.432 4.740 0.002 0.000 0.140 913 N C -0.989 174.460 175.510 -0.102 0.000 0.753 913 N CA 1.904 54.929 53.050 -0.042 0.000 0.979 913 N CB -0.681 37.805 38.487 -0.002 0.000 1.228 913 N HN 0.400 nan 8.380 nan 0.000 0.509 914 Q N 0.521 120.243 119.800 -0.130 0.000 3.412 914 Q HA 0.387 4.728 4.340 0.002 0.000 0.219 914 Q C 0.174 176.066 176.000 -0.180 0.000 0.913 914 Q CA -0.081 55.532 55.803 -0.316 0.000 0.722 914 Q CB 0.003 28.417 28.738 -0.540 0.000 1.385 914 Q HN 0.614 nan 8.270 nan 0.000 0.461 915 N N 1.996 120.703 118.700 0.012 0.000 2.058 915 N HA -0.253 4.488 4.740 0.002 0.000 0.191 915 N C 1.297 176.920 175.510 0.188 0.000 1.037 915 N CA 2.208 55.343 53.050 0.142 0.000 0.848 915 N CB -0.761 37.890 38.487 0.273 0.000 1.021 915 N HN 0.775 nan 8.380 nan 0.000 0.422 916 H N 0.691 119.790 119.070 0.048 0.000 1.589 916 H HA -0.261 4.296 4.556 0.002 0.000 0.114 916 H C -0.213 175.031 175.328 -0.141 0.000 1.253 916 H CA 2.189 58.296 56.048 0.100 0.000 1.835 916 H CB -2.103 27.662 29.762 0.005 0.000 2.192 916 H HN 0.588 nan 8.280 nan 0.000 0.928 917 S N -0.687 114.499 115.700 -0.858 0.000 2.571 917 S HA 0.664 5.135 4.470 0.002 0.000 0.284 917 S C -1.404 172.589 174.600 -1.013 0.000 1.128 917 S CA -0.906 56.740 58.200 -0.923 0.000 0.970 917 S CB 2.523 65.067 63.200 -1.095 0.000 1.039 917 S HN 0.384 nan 8.310 nan 0.000 0.485 918 Y N 0.617 120.712 120.300 -0.341 0.000 2.545 918 Y HA 0.740 5.291 4.550 0.002 0.000 0.348 918 Y C 0.217 175.993 175.900 -0.208 0.000 1.002 918 Y CA -1.199 56.751 58.100 -0.250 0.000 1.039 918 Y CB 2.531 40.869 38.460 -0.204 0.000 1.271 918 Y HN 0.779 nan 8.280 nan 0.000 0.467 919 S N 3.172 118.902 115.700 0.050 0.000 2.399 919 S HA 0.456 4.927 4.470 0.002 0.000 0.215 919 S C -1.230 173.333 174.600 -0.062 0.000 1.456 919 S CA -0.621 57.559 58.200 -0.033 0.000 1.199 919 S CB -0.608 62.591 63.200 -0.002 0.000 1.063 919 S HN 0.589 nan 8.310 nan 0.000 0.476 920 L N 4.521 125.684 121.223 -0.101 0.000 2.565 920 L HA 0.299 4.640 4.340 0.002 0.000 0.275 920 L C 0.498 177.280 176.870 -0.146 0.000 1.137 920 L CA 0.035 54.781 54.840 -0.157 0.000 0.915 920 L CB -0.081 41.872 42.059 -0.176 0.000 1.232 920 L HN 0.494 nan 8.230 nan 0.000 0.473 921 K N 3.354 123.663 120.400 -0.152 0.000 2.244 921 K HA 0.527 4.848 4.320 0.002 0.000 0.260 921 K C -0.326 176.178 176.600 -0.159 0.000 0.951 921 K CA -0.486 55.741 56.287 -0.101 0.000 0.826 921 K CB 1.638 34.106 32.500 -0.054 0.000 1.108 921 K HN 0.606 nan 8.250 nan 0.000 0.433 922 S N 1.703 117.362 115.700 -0.069 0.000 2.638 922 S HA 0.653 5.124 4.470 0.002 0.000 0.302 922 S C -0.984 173.723 174.600 0.178 0.000 1.096 922 S CA -0.695 57.484 58.200 -0.034 0.000 0.953 922 S CB 1.844 65.002 63.200 -0.070 0.000 1.107 922 S HN 0.552 nan 8.310 nan 0.000 0.503 923 S N -0.004 115.792 115.700 0.159 0.000 2.537 923 S HA 0.756 5.227 4.470 0.002 0.000 0.270 923 S C -1.345 173.210 174.600 -0.075 0.000 1.142 923 S CA -0.262 58.009 58.200 0.119 0.000 0.870 923 S CB 1.206 64.446 63.200 0.067 0.000 1.112 923 S HN 1.736 nan 8.310 nan 0.000 0.466 924 A N 2.362 125.064 122.820 -0.197 0.000 2.414 924 A HA 0.889 5.210 4.320 0.002 0.000 0.306 924 A C -0.285 177.258 177.584 -0.069 0.000 1.054 924 A CA -0.507 51.334 52.037 -0.326 0.000 0.724 924 A CB 1.612 20.061 19.000 -0.917 0.000 1.267 924 A HN 1.440 nan 8.150 nan 0.000 0.418 925 S N 0.371 116.076 115.700 0.007 0.000 2.638 925 S HA 0.932 5.403 4.470 0.002 0.000 0.302 925 S C -0.648 174.065 174.600 0.189 0.000 1.096 925 S CA -0.633 57.626 58.200 0.099 0.000 0.953 925 S CB 1.445 64.663 63.200 0.031 0.000 1.107 925 S HN 1.756 nan 8.310 nan 0.000 0.503 926 F N -0.748 119.187 119.950 -0.024 0.000 2.608 926 F HA 0.679 5.207 4.527 0.002 0.000 0.309 926 F C -1.277 174.489 175.800 -0.056 0.000 1.103 926 F CA -0.831 57.142 58.000 -0.046 0.000 0.954 926 F CB 1.522 40.480 39.000 -0.069 0.000 1.267 926 F HN 0.768 nan 8.300 nan 0.000 0.444 927 N N 3.758 122.352 118.700 -0.177 0.000 2.549 927 N HA 0.388 5.129 4.740 0.002 0.000 0.281 927 N C -1.867 173.533 175.510 -0.184 0.000 1.084 927 N CA -0.494 52.385 53.050 -0.285 0.000 0.862 927 N CB 2.116 40.513 38.487 -0.150 0.000 1.333 927 N HN 0.616 nan 8.380 nan 0.000 0.523 928 V N 4.470 124.232 119.914 -0.252 0.000 2.521 928 V HA 0.059 4.180 4.120 0.002 0.000 0.286 928 V C 0.921 176.899 176.094 -0.192 0.000 1.034 928 V CA 0.207 62.294 62.300 -0.355 0.000 1.045 928 V CB 0.487 32.020 31.823 -0.484 0.000 0.974 928 V HN 0.624 nan 8.190 nan 0.000 0.480 929 I N 1.594 122.068 120.570 -0.160 0.000 3.813 929 I HA 0.599 4.770 4.170 0.002 0.000 0.323 929 I C -0.034 176.108 176.117 0.042 0.000 1.536 929 I CA -0.027 61.260 61.300 -0.023 0.000 1.083 929 I CB 0.258 38.248 38.000 -0.015 0.000 1.265 929 I HN 0.646 nan 8.210 nan 0.000 0.507 930 E N 0.799 121.005 120.200 0.009 0.000 3.127 930 E HA 0.402 4.753 4.350 0.002 0.000 0.338 930 E C -1.825 174.796 176.600 0.035 0.000 1.049 930 E CA -0.395 56.084 56.400 0.131 0.000 0.864 930 E CB 1.035 30.779 29.700 0.073 0.000 1.247 930 E HN 0.168 nan 8.360 nan 0.000 0.452 931 F N 3.285 123.243 119.950 0.013 0.000 2.538 931 F HA 0.451 4.979 4.527 0.002 0.000 0.325 931 F C -1.514 174.167 175.800 -0.199 0.000 1.066 931 F CA -2.022 55.927 58.000 -0.086 0.000 0.946 931 F CB 1.442 40.416 39.000 -0.044 0.000 1.199 931 F HN 0.352 nan 8.300 nan 0.000 0.473 932 P HA -0.107 nan 4.420 nan 0.000 0.223 932 P C -0.840 176.382 177.300 -0.130 0.000 1.151 932 P CA 1.106 64.064 63.100 -0.235 0.000 0.787 932 P CB -0.066 31.428 31.700 -0.344 0.000 0.788 933 Y N 0.936 121.333 120.300 0.163 0.000 2.539 933 Y HA 0.205 4.756 4.550 0.002 0.000 0.352 933 Y C 0.973 176.916 175.900 0.072 0.000 1.004 933 Y CA -1.044 57.116 58.100 0.101 0.000 1.278 933 Y CB 0.111 38.624 38.460 0.089 0.000 1.136 933 Y HN -0.262 nan 8.280 nan 0.000 0.528 934 K N 2.675 123.179 120.400 0.174 0.000 2.130 934 K HA 0.296 4.617 4.320 0.002 0.000 0.268 934 K C 0.097 176.750 176.600 0.087 0.000 0.983 934 K CA -0.835 55.516 56.287 0.107 0.000 0.893 934 K CB 1.374 33.919 32.500 0.076 0.000 1.066 934 K HN 0.858 nan 8.250 nan 0.000 0.450 935 N N -0.237 118.498 118.700 0.058 0.000 2.901 935 N HA -0.163 4.578 4.740 0.002 0.000 0.248 935 N C -1.041 174.486 175.510 0.028 0.000 1.044 935 N CA 0.093 53.165 53.050 0.036 0.000 0.847 935 N CB -0.501 38.005 38.487 0.033 0.000 1.127 935 N HN 0.257 nan 8.380 nan 0.000 0.562 936 L N 0.832 122.078 121.223 0.038 0.000 2.346 936 L HA 0.567 4.908 4.340 0.002 0.000 0.274 936 L C -2.005 174.855 176.870 -0.017 0.000 1.007 936 L CA -1.581 53.266 54.840 0.012 0.000 0.818 936 L CB 0.953 43.033 42.059 0.036 0.000 1.284 936 L HN -0.212 nan 8.230 nan 0.000 0.424 937 P HA 0.314 nan 4.420 nan 0.000 0.271 937 P C -0.864 176.370 177.300 -0.110 0.000 1.220 937 P CA -0.057 63.012 63.100 -0.051 0.000 0.768 937 P CB 0.509 32.192 31.700 -0.029 0.000 0.848 938 I N -0.793 119.688 120.570 -0.149 0.000 2.802 938 I HA 0.606 4.777 4.170 0.002 0.000 0.298 938 I C -0.931 175.094 176.117 -0.153 0.000 1.176 938 I CA -1.395 59.734 61.300 -0.284 0.000 1.025 938 I CB 2.432 40.075 38.000 -0.595 0.000 1.243 938 I HN 0.176 nan 8.210 nan 0.000 0.424 939 E N 2.652 122.785 120.200 -0.112 0.000 2.222 939 E HA 0.435 4.786 4.350 0.002 0.000 0.267 939 E C -1.389 175.241 176.600 0.051 0.000 0.884 939 E CA -0.593 55.795 56.400 -0.019 0.000 0.764 939 E CB 1.568 31.265 29.700 -0.005 0.000 1.169 939 E HN 0.445 nan 8.360 nan 0.000 0.413 940 D N 1.487 121.921 120.400 0.056 0.000 2.488 940 D HA 0.082 4.723 4.640 0.002 0.000 0.238 940 D C -0.311 176.003 176.300 0.024 0.000 1.138 940 D CA 0.435 54.477 54.000 0.069 0.000 0.873 940 D CB 0.464 41.269 40.800 0.009 0.000 1.183 940 D HN 0.306 nan 8.370 nan 0.000 0.458 941 I N 1.973 122.547 120.570 0.007 0.000 2.359 941 I HA 0.295 4.466 4.170 0.002 0.000 0.294 941 I C 0.241 176.158 176.117 -0.334 0.000 0.987 941 I CA -0.192 61.070 61.300 -0.063 0.000 1.225 941 I CB 1.476 39.507 38.000 0.051 0.000 1.366 941 I HN 0.140 nan 8.210 nan 0.000 0.466 942 T N 4.523 118.820 114.554 -0.428 0.000 2.868 942 T HA 0.541 4.892 4.350 0.002 0.000 0.306 942 T C -0.903 173.445 174.700 -0.586 0.000 1.224 942 T CA -0.947 60.717 62.100 -0.728 0.000 1.012 942 T CB 2.212 70.849 68.868 -0.386 0.000 1.221 942 T HN 0.577 nan 8.240 nan 0.000 0.499 943 N N -0.002 118.319 118.700 -0.633 0.000 4.310 943 N HA 0.417 5.158 4.740 0.002 0.000 0.212 943 N C -1.562 174.005 175.510 0.094 0.000 1.277 943 N CA -0.152 52.847 53.050 -0.085 0.000 0.854 943 N CB 1.560 40.183 38.487 0.228 0.000 1.480 943 N HN 0.893 nan 8.380 nan 0.000 0.489 944 S N -0.479 115.307 115.700 0.142 0.000 2.840 944 S HA 0.883 5.354 4.470 0.002 0.000 0.307 944 S C -0.897 173.792 174.600 0.149 0.000 1.180 944 S CA -0.399 57.895 58.200 0.157 0.000 0.846 944 S CB 2.371 65.611 63.200 0.067 0.000 1.233 944 S HN 0.735 nan 8.310 nan 0.000 0.548 945 T N 0.229 114.867 114.554 0.140 0.000 2.827 945 T HA 0.504 4.855 4.350 0.002 0.000 0.328 945 T C -2.015 172.802 174.700 0.194 0.000 1.598 945 T CA -0.768 61.426 62.100 0.157 0.000 1.043 945 T CB 1.009 69.990 68.868 0.190 0.000 1.447 945 T HN 1.196 nan 8.240 nan 0.000 0.491 946 L N 0.569 121.891 121.223 0.164 0.000 2.323 946 L HA 1.054 5.396 4.340 0.002 0.000 0.265 946 L C -1.490 175.465 176.870 0.142 0.000 1.012 946 L CA -1.082 53.861 54.840 0.171 0.000 0.820 946 L CB 2.037 44.150 42.059 0.089 0.000 1.334 946 L HN 0.414 nan 8.230 nan 0.000 0.427 947 V N 0.495 120.494 119.914 0.142 0.000 2.567 947 V HA 0.396 4.518 4.120 0.002 0.000 0.298 947 V C -0.178 175.913 176.094 -0.005 0.000 1.047 947 V CA -0.182 62.115 62.300 -0.005 0.000 0.880 947 V CB 1.876 33.614 31.823 -0.142 0.000 1.009 947 V HN 0.973 nan 8.190 nan 0.000 0.429 948 T N 2.791 117.299 114.554 -0.076 0.000 2.895 948 T HA 0.626 4.977 4.350 0.002 0.000 0.283 948 T C -0.369 174.254 174.700 -0.128 0.000 1.014 948 T CA -0.137 61.921 62.100 -0.070 0.000 1.037 948 T CB 1.422 70.249 68.868 -0.068 0.000 1.006 948 T HN 0.663 nan 8.240 nan 0.000 0.468 949 T N 5.331 119.826 114.554 -0.098 0.000 2.892 949 T HA 0.395 4.746 4.350 0.002 0.000 0.311 949 T C -0.535 174.057 174.700 -0.180 0.000 1.033 949 T CA -0.787 61.242 62.100 -0.118 0.000 0.991 949 T CB 0.228 69.093 68.868 -0.005 0.000 0.981 949 T HN 0.577 nan 8.240 nan 0.000 0.457 950 N N 2.909 121.418 118.700 -0.317 0.000 2.414 950 N HA 0.332 5.073 4.740 0.002 0.000 0.256 950 N C -0.053 175.141 175.510 -0.527 0.000 1.029 950 N CA -0.288 52.494 53.050 -0.447 0.000 0.948 950 N CB 1.975 40.095 38.487 -0.611 0.000 1.102 950 N HN 0.491 nan 8.380 nan 0.000 0.496 951 V N 0.497 120.228 119.914 -0.304 0.000 2.370 951 V HA 0.744 4.865 4.120 0.002 0.000 0.279 951 V C 0.174 176.122 176.094 -0.243 0.000 1.029 951 V CA -0.436 61.712 62.300 -0.254 0.000 0.870 951 V CB 0.897 32.614 31.823 -0.177 0.000 0.984 951 V HN 0.688 nan 8.190 nan 0.000 0.451 952 T N 1.118 115.547 114.554 -0.207 0.000 2.903 952 T HA 0.516 4.867 4.350 0.002 0.000 0.299 952 T C -0.884 173.823 174.700 0.012 0.000 1.093 952 T CA -0.569 61.473 62.100 -0.097 0.000 1.002 952 T CB 1.444 70.332 68.868 0.034 0.000 1.127 952 T HN 0.741 nan 8.240 nan 0.000 0.488 953 W N 2.504 123.859 121.300 0.092 0.000 2.598 953 W HA 0.410 5.071 4.660 0.002 0.000 0.396 953 W C 1.670 178.301 176.519 0.187 0.000 1.142 953 W CA 0.145 57.574 57.345 0.141 0.000 1.568 953 W CB -0.050 29.472 29.460 0.103 0.000 1.637 953 W HN 1.203 nan 8.180 nan 0.000 0.417 954 G N 3.024 112.112 108.800 0.481 0.000 2.833 954 G HA2 -0.348 3.613 3.960 0.002 0.000 0.226 954 G HA3 -0.348 3.613 3.960 0.002 0.000 0.226 954 G C 1.161 176.205 174.900 0.239 0.000 1.228 954 G CA 1.521 46.864 45.100 0.404 0.000 0.779 954 G HN 0.478 nan 8.290 nan 0.000 0.651 955 I N -0.289 120.408 120.570 0.212 0.000 3.228 955 I HA 0.175 4.346 4.170 0.002 0.000 0.279 955 I C 1.115 177.306 176.117 0.123 0.000 1.221 955 I CA 0.464 61.838 61.300 0.123 0.000 1.458 955 I CB -0.722 37.325 38.000 0.078 0.000 1.105 955 I HN 0.390 nan 8.210 nan 0.000 0.445 956 Q N 0.000 119.910 119.800 0.183 0.000 2.315 956 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 956 Q CA 0.000 55.841 55.803 0.064 0.000 1.022 956 Q CB 0.000 28.785 28.738 0.078 0.000 1.108 956 Q HN 0.000 nan 8.270 nan 0.000 0.481