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 1m1x_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 0.000 175.758 175.800 -0.071 0.000 0.967 1 F CA 0.000 57.967 58.000 -0.055 0.000 1.383 1 F CB 0.000 38.939 39.000 -0.102 0.000 1.145 2 N N 1.742 120.008 118.700 -0.723 0.000 2.521 2 N HA 0.635 5.376 4.740 0.001 0.000 0.269 2 N C -2.130 173.159 175.510 -0.368 0.000 1.079 2 N CA -0.205 52.564 53.050 -0.467 0.000 0.980 2 N CB 3.082 41.314 38.487 -0.426 0.000 1.667 2 N HN 0.350 nan 8.380 nan 0.000 0.498 3 L N -0.093 121.015 121.223 -0.192 0.000 2.466 3 L HA 0.568 4.908 4.340 0.001 0.000 0.258 3 L C -0.132 176.711 176.870 -0.045 0.000 0.973 3 L CA -0.979 53.799 54.840 -0.103 0.000 0.826 3 L CB 1.442 43.473 42.059 -0.047 0.000 1.372 3 L HN 0.359 nan 8.230 nan 0.000 0.409 4 D N 1.407 121.823 120.400 0.027 0.000 2.586 4 D HA 0.017 4.657 4.640 0.001 0.000 0.234 4 D C 0.016 176.393 176.300 0.128 0.000 1.132 4 D CA 0.404 54.449 54.000 0.074 0.000 0.860 4 D CB 1.540 42.405 40.800 0.109 0.000 1.159 4 D HN 0.512 nan 8.370 nan 0.000 0.490 5 V N 3.498 123.461 119.914 0.082 0.000 3.502 5 V HA -0.025 4.096 4.120 0.001 0.000 0.288 5 V C 1.587 177.745 176.094 0.106 0.000 1.461 5 V CA -0.134 62.230 62.300 0.106 0.000 1.029 5 V CB 0.531 32.343 31.823 -0.018 0.000 0.843 5 V HN 0.555 nan 8.190 nan 0.000 0.438 6 D N 0.691 121.136 120.400 0.074 0.000 2.085 6 D HA -0.055 4.585 4.640 0.001 0.000 0.199 6 D C 1.255 177.589 176.300 0.056 0.000 0.981 6 D CA 1.541 55.569 54.000 0.047 0.000 0.834 6 D CB 0.234 41.052 40.800 0.030 0.000 0.992 6 D HN 0.377 nan 8.370 nan 0.000 0.457 7 S N 1.587 117.330 115.700 0.073 0.000 2.252 7 S HA 0.297 4.768 4.470 0.001 0.000 0.187 7 S C -2.676 171.984 174.600 0.100 0.000 1.587 7 S CA -1.353 56.886 58.200 0.064 0.000 1.215 7 S CB 1.001 64.221 63.200 0.033 0.000 1.085 7 S HN -0.083 nan 8.310 nan 0.000 0.466 8 P HA 0.515 nan 4.420 nan 0.000 0.283 8 P C -1.145 176.164 177.300 0.014 0.000 1.278 8 P CA -0.766 62.396 63.100 0.103 0.000 0.834 8 P CB 1.247 32.998 31.700 0.086 0.000 1.150 9 A N 0.851 123.666 122.820 -0.007 0.000 2.279 9 A HA 0.248 4.569 4.320 0.001 0.000 0.306 9 A C 0.352 177.784 177.584 -0.254 0.000 1.300 9 A CA -0.411 51.552 52.037 -0.123 0.000 0.925 9 A CB -0.292 18.712 19.000 0.006 0.000 1.152 9 A HN 0.540 nan 8.150 nan 0.000 0.544 10 E N 2.701 122.717 120.200 -0.307 0.000 2.227 10 E HA 0.447 4.798 4.350 0.001 0.000 0.282 10 E C -1.609 174.707 176.600 -0.474 0.000 1.015 10 E CA -0.032 56.248 56.400 -0.200 0.000 0.823 10 E CB 0.644 30.358 29.700 0.024 0.000 1.081 10 E HN 0.618 nan 8.360 nan 0.000 0.396 11 Y N 0.824 121.138 120.300 0.023 0.000 2.512 11 Y HA 0.278 4.828 4.550 0.001 0.000 0.348 11 Y C 0.279 176.086 175.900 -0.155 0.000 0.990 11 Y CA -0.611 57.497 58.100 0.014 0.000 1.033 11 Y CB 2.232 40.812 38.460 0.199 0.000 1.259 11 Y HN 0.538 nan 8.280 nan 0.000 0.461 12 S N 0.288 115.817 115.700 -0.285 0.000 2.667 12 S HA 0.997 5.467 4.470 0.001 0.000 0.292 12 S C -0.543 173.231 174.600 -1.377 0.000 1.126 12 S CA -0.548 57.229 58.200 -0.706 0.000 0.881 12 S CB 2.230 65.187 63.200 -0.405 0.000 1.132 12 S HN 1.052 nan 8.310 nan 0.000 0.492 13 G N -0.371 107.759 108.800 -1.116 0.000 2.727 13 G HA2 0.714 4.675 3.960 0.001 0.000 0.289 13 G HA3 0.714 4.675 3.960 0.001 0.000 0.289 13 G C -3.474 171.277 174.900 -0.249 0.000 1.418 13 G CA -1.564 43.089 45.100 -0.745 0.000 0.818 13 G HN 0.607 nan 8.290 nan 0.000 0.486 14 P HA 0.192 nan 4.420 nan 0.000 0.267 14 P C -0.243 177.059 177.300 0.002 0.000 1.200 14 P CA -0.153 62.927 63.100 -0.033 0.000 0.772 14 P CB 0.310 32.009 31.700 -0.001 0.000 0.855 15 E N 1.774 121.973 120.200 -0.002 0.000 2.406 15 E HA 0.269 4.619 4.350 0.001 0.000 0.247 15 E C 0.861 177.495 176.600 0.056 0.000 1.160 15 E CA 0.043 56.457 56.400 0.023 0.000 0.950 15 E CB -1.243 28.464 29.700 0.012 0.000 0.993 15 E HN 0.735 nan 8.360 nan 0.000 0.472 16 G N 3.030 111.899 108.800 0.116 0.000 2.141 16 G HA2 -0.369 3.592 3.960 0.001 0.000 0.231 16 G HA3 -0.369 3.592 3.960 0.001 0.000 0.231 16 G C 0.844 175.822 174.900 0.131 0.000 0.984 16 G CA 0.263 45.471 45.100 0.179 0.000 0.660 16 G HN 0.830 nan 8.290 nan 0.000 0.525 17 S N -0.883 114.898 115.700 0.135 0.000 2.562 17 S HA 0.193 4.663 4.470 0.001 0.000 0.221 17 S C 1.290 175.962 174.600 0.120 0.000 0.975 17 S CA 1.098 59.327 58.200 0.049 0.000 0.918 17 S CB -0.425 62.827 63.200 0.087 0.000 0.772 17 S HN 1.365 nan 8.310 nan 0.000 0.531 18 Y N -0.724 119.574 120.300 -0.004 0.000 4.272 18 Y HA -0.259 4.291 4.550 0.001 0.000 0.232 18 Y C 0.260 176.219 175.900 0.099 0.000 1.149 18 Y CA -0.176 57.941 58.100 0.029 0.000 1.961 18 Y CB -2.424 35.789 38.460 -0.412 0.000 1.611 18 Y HN 0.526 nan 8.280 nan 0.000 0.682 19 F N 1.829 121.866 119.950 0.146 0.000 2.612 19 F HA 0.309 4.837 4.527 0.001 0.000 0.389 19 F C 1.181 177.053 175.800 0.121 0.000 1.055 19 F CA 1.707 59.757 58.000 0.083 0.000 1.232 19 F CB 0.685 39.710 39.000 0.042 0.000 1.044 19 F HN 0.263 nan 8.300 nan 0.000 0.560 20 G N 4.938 113.499 108.800 -0.400 0.000 2.131 20 G HA2 -0.363 3.598 3.960 0.001 0.000 0.223 20 G HA3 -0.363 3.598 3.960 0.001 0.000 0.223 20 G C 0.426 175.342 174.900 0.026 0.000 0.990 20 G CA 0.169 45.157 45.100 -0.186 0.000 0.671 20 G HN 0.803 nan 8.290 nan 0.000 0.521 21 F N 1.213 121.064 119.950 -0.164 0.000 2.512 21 F HA 0.599 5.126 4.527 0.001 0.000 0.296 21 F C 1.278 176.990 175.800 -0.147 0.000 1.110 21 F CA 1.353 59.214 58.000 -0.232 0.000 1.446 21 F CB 0.434 39.183 39.000 -0.418 0.000 1.092 21 F HN 0.613 nan 8.300 nan 0.000 0.554 22 A N 1.090 123.854 122.820 -0.092 0.000 2.446 22 A HA 0.599 4.920 4.320 0.001 0.000 0.282 22 A C -1.287 176.184 177.584 -0.189 0.000 1.102 22 A CA -0.317 51.623 52.037 -0.162 0.000 0.737 22 A CB 0.383 19.317 19.000 -0.109 0.000 1.212 22 A HN 0.191 nan 8.150 nan 0.000 0.434 23 V N -0.522 119.278 119.914 -0.190 0.000 2.667 23 V HA 0.951 5.072 4.120 0.001 0.000 0.308 23 V C -0.644 175.342 176.094 -0.181 0.000 1.048 23 V CA -0.622 61.551 62.300 -0.212 0.000 0.928 23 V CB 1.914 33.598 31.823 -0.232 0.000 1.004 23 V HN 0.820 nan 8.190 nan 0.000 0.444 24 D N 0.996 121.282 120.400 -0.189 0.000 2.671 24 D HA 0.438 5.079 4.640 0.001 0.000 0.273 24 D C -1.852 174.384 176.300 -0.106 0.000 1.264 24 D CA -0.392 53.546 54.000 -0.103 0.000 0.788 24 D CB 2.455 43.261 40.800 0.011 0.000 1.324 24 D HN 0.511 nan 8.370 nan 0.000 0.424 25 F N 1.228 121.223 119.950 0.074 0.000 2.421 25 F HA 0.442 4.970 4.527 0.001 0.000 0.337 25 F C 0.061 175.993 175.800 0.220 0.000 1.105 25 F CA -0.850 57.216 58.000 0.109 0.000 1.049 25 F CB 1.401 40.432 39.000 0.051 0.000 1.139 25 F HN 0.100 nan 8.300 nan 0.000 0.479 26 F N 4.937 125.067 119.950 0.299 0.000 2.347 26 F HA 0.550 5.078 4.527 0.001 0.000 0.366 26 F C -1.066 174.873 175.800 0.232 0.000 1.107 26 F CA -0.891 57.245 58.000 0.225 0.000 1.058 26 F CB 1.019 40.146 39.000 0.212 0.000 1.236 26 F HN 0.159 nan 8.300 nan 0.000 0.456 27 V N 9.216 129.008 119.914 -0.203 0.000 2.266 27 V HA 0.465 4.586 4.120 0.001 0.000 0.271 27 V C -2.433 173.400 176.094 -0.436 0.000 1.032 27 V CA -2.368 59.761 62.300 -0.284 0.000 0.806 27 V CB 0.650 32.381 31.823 -0.154 0.000 1.052 27 V HN 0.568 nan 8.190 nan 0.000 0.449 28 P HA 0.202 nan 4.420 nan 0.000 0.272 28 P C 0.687 177.864 177.300 -0.205 0.000 1.230 28 P CA 0.120 62.954 63.100 -0.443 0.000 0.788 28 P CB 0.928 32.396 31.700 -0.388 0.000 0.949 29 S N 0.460 116.082 115.700 -0.131 0.000 2.486 29 S HA 0.079 4.550 4.470 0.001 0.000 0.220 29 S C 1.589 176.152 174.600 -0.062 0.000 1.011 29 S CA 0.486 58.633 58.200 -0.088 0.000 0.921 29 S CB -0.736 62.422 63.200 -0.070 0.000 0.785 29 S HN 0.401 nan 8.310 nan 0.000 0.517 30 A N 0.571 123.359 122.820 -0.054 0.000 2.238 30 A HA 0.548 4.869 4.320 0.001 0.000 0.208 30 A C 0.962 178.537 177.584 -0.014 0.000 1.177 30 A CA 0.276 52.297 52.037 -0.028 0.000 0.804 30 A CB -0.251 18.739 19.000 -0.016 0.000 0.823 30 A HN 0.476 nan 8.150 nan 0.000 0.482 31 S N -2.103 113.583 115.700 -0.022 0.000 2.607 31 S HA 0.418 4.888 4.470 0.001 0.000 0.273 31 S C 1.096 175.692 174.600 -0.007 0.000 1.148 31 S CA 0.212 58.417 58.200 0.010 0.000 0.833 31 S CB 1.399 64.641 63.200 0.069 0.000 1.130 31 S HN 0.564 nan 8.310 nan 0.000 0.470 32 S N 1.952 117.657 115.700 0.007 0.000 2.414 32 S HA 0.061 4.531 4.470 0.001 0.000 0.227 32 S C 0.810 175.398 174.600 -0.020 0.000 1.022 32 S CA -0.007 58.187 58.200 -0.011 0.000 0.958 32 S CB -0.471 62.730 63.200 0.002 0.000 0.797 32 S HN 0.822 nan 8.310 nan 0.000 0.493 33 R N 0.164 120.668 120.500 0.006 0.000 2.549 33 R HA 0.719 5.060 4.340 0.001 0.000 0.267 33 R C -0.589 175.657 176.300 -0.091 0.000 1.045 33 R CA -0.754 55.317 56.100 -0.048 0.000 1.115 33 R CB 0.482 30.740 30.300 -0.071 0.000 1.121 33 R HN 0.179 nan 8.270 nan 0.000 0.543 34 M N 0.724 120.179 119.600 -0.241 0.000 2.716 34 M HA 0.531 5.012 4.480 0.001 0.000 0.307 34 M C -1.251 174.820 176.300 -0.382 0.000 1.223 34 M CA -0.680 54.520 55.300 -0.167 0.000 0.871 34 M CB 1.965 34.475 32.600 -0.149 0.000 1.739 34 M HN 0.473 nan 8.290 nan 0.000 0.475 35 F N 0.026 120.088 119.950 0.187 0.000 2.706 35 F HA 0.720 5.247 4.527 0.001 0.000 0.328 35 F C -1.072 174.881 175.800 0.255 0.000 1.123 35 F CA -0.873 57.289 58.000 0.271 0.000 0.978 35 F CB 1.026 40.243 39.000 0.361 0.000 1.404 35 F HN 0.225 nan 8.300 nan 0.000 0.497 36 L N 1.473 122.903 121.223 0.345 0.000 2.334 36 L HA 0.595 4.935 4.340 0.001 0.000 0.276 36 L C -1.093 175.804 176.870 0.046 0.000 1.014 36 L CA -0.274 54.611 54.840 0.075 0.000 0.815 36 L CB 1.623 43.568 42.059 -0.190 0.000 1.268 36 L HN 0.341 nan 8.230 nan 0.000 0.428 37 L N 4.531 125.728 121.223 -0.043 0.000 2.345 37 L HA 0.576 4.917 4.340 0.001 0.000 0.274 37 L C -1.158 175.602 176.870 -0.185 0.000 0.999 37 L CA -0.616 54.174 54.840 -0.082 0.000 0.849 37 L CB 1.569 43.606 42.059 -0.037 0.000 1.220 37 L HN 0.224 nan 8.230 nan 0.000 0.422 38 V N 1.869 121.638 119.914 -0.241 0.000 2.487 38 V HA 0.565 4.685 4.120 0.001 0.000 0.298 38 V C 0.622 176.486 176.094 -0.383 0.000 1.028 38 V CA -0.596 61.454 62.300 -0.416 0.000 0.860 38 V CB 1.790 33.163 31.823 -0.750 0.000 0.991 38 V HN 0.780 nan 8.190 nan 0.000 0.427 39 G N 2.859 111.459 108.800 -0.334 0.000 2.395 39 G HA2 0.565 4.525 3.960 0.001 0.000 0.283 39 G HA3 0.565 4.525 3.960 0.001 0.000 0.283 39 G C 0.004 174.773 174.900 -0.219 0.000 1.178 39 G CA -0.007 44.937 45.100 -0.259 0.000 0.837 39 G HN 1.144 nan 8.290 nan 0.000 0.518 40 A N 3.979 126.708 122.820 -0.151 0.000 3.165 40 A HA 0.633 4.954 4.320 0.001 0.000 0.331 40 A C -1.394 176.086 177.584 -0.173 0.000 1.034 40 A CA -1.161 50.835 52.037 -0.068 0.000 0.906 40 A CB 1.059 20.097 19.000 0.063 0.000 1.054 40 A HN 0.405 nan 8.150 nan 0.000 0.484 41 P HA -0.203 nan 4.420 nan 0.000 0.219 41 P C 0.899 177.793 177.300 -0.676 0.000 1.145 41 P CA 1.528 64.329 63.100 -0.498 0.000 0.813 41 P CB 0.177 31.411 31.700 -0.777 0.000 0.771 42 K N -2.075 117.938 120.400 -0.645 0.000 2.413 42 K HA 0.326 4.647 4.320 0.001 0.000 0.204 42 K C 0.385 176.828 176.600 -0.262 0.000 1.041 42 K CA -0.354 55.580 56.287 -0.588 0.000 1.082 42 K CB 0.697 32.645 32.500 -0.920 0.000 0.871 42 K HN 0.021 nan 8.250 nan 0.000 0.535 43 A N 1.706 124.435 122.820 -0.152 0.000 2.477 43 A HA 0.133 4.453 4.320 0.001 0.000 0.246 43 A C 0.082 177.642 177.584 -0.039 0.000 1.078 43 A CA -0.277 51.727 52.037 -0.055 0.000 0.770 43 A CB 0.145 19.146 19.000 0.002 0.000 1.011 43 A HN 0.174 nan 8.150 nan 0.000 0.494 44 N N 0.341 119.024 118.700 -0.028 0.000 2.399 44 N HA 0.448 5.189 4.740 0.001 0.000 0.250 44 N C 0.372 175.879 175.510 -0.006 0.000 1.272 44 N CA 0.840 53.875 53.050 -0.024 0.000 0.928 44 N CB 1.008 39.482 38.487 -0.021 0.000 1.158 44 N HN 0.852 nan 8.380 nan 0.000 0.463 45 T N -4.200 110.348 114.554 -0.009 0.000 2.812 45 T HA 0.373 4.724 4.350 0.001 0.000 0.294 45 T C 0.412 175.107 174.700 -0.008 0.000 1.159 45 T CA -0.788 61.312 62.100 -0.001 0.000 1.008 45 T CB 0.953 69.825 68.868 0.007 0.000 1.289 45 T HN 0.384 nan 8.240 nan 0.000 0.514 46 T N -1.111 113.439 114.554 -0.008 0.000 3.244 46 T HA 0.236 4.586 4.350 0.001 0.000 0.254 46 T C 0.242 174.934 174.700 -0.014 0.000 1.024 46 T CA -0.418 61.675 62.100 -0.011 0.000 0.920 46 T CB -0.496 68.366 68.868 -0.010 0.000 1.042 46 T HN 0.607 nan 8.240 nan 0.000 0.572 47 Q N 2.277 122.068 119.800 -0.016 0.000 2.286 47 Q HA 0.291 4.631 4.340 0.001 0.000 0.257 47 Q C -2.654 173.339 176.000 -0.012 0.000 0.941 47 Q CA -2.301 53.491 55.803 -0.017 0.000 0.912 47 Q CB 0.427 29.154 28.738 -0.019 0.000 1.192 47 Q HN 0.140 nan 8.270 nan 0.000 0.410 48 P HA -0.107 nan 4.420 nan 0.000 0.258 48 P C 0.511 177.809 177.300 -0.004 0.000 1.172 48 P CA 1.165 64.262 63.100 -0.006 0.000 0.762 48 P CB 0.217 31.915 31.700 -0.003 0.000 0.764 49 G N 3.506 112.302 108.800 -0.007 0.000 2.212 49 G HA2 -0.242 3.719 3.960 0.001 0.000 0.267 49 G HA3 -0.242 3.719 3.960 0.001 0.000 0.267 49 G C 0.155 175.045 174.900 -0.016 0.000 1.002 49 G CA -0.381 44.715 45.100 -0.007 0.000 0.729 49 G HN 0.486 nan 8.290 nan 0.000 0.517 50 I N 1.362 121.917 120.570 -0.024 0.000 2.306 50 I HA 0.306 4.476 4.170 0.001 0.000 0.288 50 I C 0.630 176.697 176.117 -0.082 0.000 1.036 50 I CA -1.156 60.119 61.300 -0.042 0.000 1.221 50 I CB 1.117 39.108 38.000 -0.015 0.000 1.385 50 I HN -0.084 nan 8.210 nan 0.000 0.472 51 V N 5.834 125.651 119.914 -0.162 0.000 2.432 51 V HA 0.236 4.356 4.120 0.001 0.000 0.271 51 V C 0.593 176.497 176.094 -0.315 0.000 1.046 51 V CA -0.735 61.435 62.300 -0.217 0.000 0.945 51 V CB 0.057 31.735 31.823 -0.241 0.000 0.992 51 V HN 0.836 nan 8.190 nan 0.000 0.471 52 E N 2.942 123.054 120.200 -0.148 0.000 2.240 52 E HA -0.207 4.144 4.350 0.001 0.000 0.194 52 E C 1.368 177.921 176.600 -0.077 0.000 1.385 52 E CA 0.455 56.792 56.400 -0.104 0.000 0.686 52 E CB -1.016 28.662 29.700 -0.038 0.000 1.125 52 E HN 1.054 nan 8.360 nan 0.000 0.359 53 G N 0.922 109.706 108.800 -0.027 0.000 2.623 53 G HA2 0.320 4.281 3.960 0.001 0.000 0.214 53 G HA3 0.320 4.281 3.960 0.001 0.000 0.214 53 G C 0.891 175.870 174.900 0.132 0.000 1.138 53 G CA 0.595 45.728 45.100 0.054 0.000 0.794 53 G HN 0.919 nan 8.290 nan 0.000 0.535 54 G N -0.663 108.174 108.800 0.062 0.000 2.829 54 G HA2 0.168 4.128 3.960 0.001 0.000 0.628 54 G HA3 0.168 4.128 3.960 0.001 0.000 0.628 54 G C -0.371 174.653 174.900 0.207 0.000 1.412 54 G CA 0.108 45.242 45.100 0.056 0.000 0.864 54 G HN 1.173 nan 8.290 nan 0.000 0.544 55 Q N -2.846 117.017 119.800 0.105 0.000 2.833 55 Q HA 0.785 5.126 4.340 0.001 0.000 0.340 55 Q C -1.441 174.523 176.000 -0.060 0.000 0.800 55 Q CA -1.078 54.825 55.803 0.165 0.000 0.821 55 Q CB 1.990 30.824 28.738 0.160 0.000 1.340 55 Q HN 1.365 nan 8.270 nan 0.000 0.515 56 V N 0.682 120.615 119.914 0.030 0.000 2.808 56 V HA 0.526 4.647 4.120 0.001 0.000 0.308 56 V C -1.519 174.596 176.094 0.034 0.000 1.099 56 V CA -0.669 61.602 62.300 -0.049 0.000 0.920 56 V CB 1.918 33.705 31.823 -0.060 0.000 1.014 56 V HN 0.582 nan 8.190 nan 0.000 0.425 57 L N 3.390 124.608 121.223 -0.009 0.000 2.365 57 L HA 0.614 4.955 4.340 0.001 0.000 0.273 57 L C -0.294 176.578 176.870 0.003 0.000 1.000 57 L CA -0.450 54.413 54.840 0.039 0.000 0.819 57 L CB 1.727 43.872 42.059 0.142 0.000 1.284 57 L HN 0.539 nan 8.230 nan 0.000 0.418 58 K N 1.910 122.317 120.400 0.011 0.000 2.264 58 K HA 0.548 4.869 4.320 0.001 0.000 0.277 58 K C -1.233 175.441 176.600 0.123 0.000 1.067 58 K CA -0.334 55.969 56.287 0.027 0.000 0.900 58 K CB 0.627 33.077 32.500 -0.083 0.000 1.124 58 K HN 0.687 nan 8.250 nan 0.000 0.469 59 c N 3.479 122.155 118.600 0.125 0.000 2.366 59 c HA 0.337 4.908 4.570 0.001 0.000 0.345 59 c C -0.378 173.844 174.090 0.220 0.000 1.209 59 c CA -0.840 55.535 56.329 0.076 0.000 2.050 59 c CB 0.618 42.948 42.510 -0.299 0.000 2.359 59 c HN 0.789 nan 8.230 nan 0.000 0.527 60 D N 0.499 121.041 120.400 0.236 0.000 2.249 60 D HA 0.183 4.824 4.640 0.001 0.000 0.246 60 D C 0.053 176.488 176.300 0.226 0.000 1.114 60 D CA -0.287 53.849 54.000 0.227 0.000 0.854 60 D CB 0.699 41.616 40.800 0.196 0.000 1.132 60 D HN 0.766 nan 8.370 nan 0.000 0.461 61 W N 2.605 123.903 121.300 -0.005 0.000 2.770 61 W HA -0.021 4.639 4.660 0.001 0.000 0.256 61 W C 1.264 177.804 176.519 0.034 0.000 1.291 61 W CA 0.076 57.460 57.345 0.065 0.000 1.396 61 W CB 0.072 29.534 29.460 0.003 0.000 1.114 61 W HN 0.368 nan 8.180 nan 0.000 0.637 62 S N 0.764 116.343 115.700 -0.203 0.000 3.237 62 S HA 0.005 4.475 4.470 0.001 0.000 0.255 62 S C 0.882 175.280 174.600 -0.337 0.000 1.127 62 S CA 0.756 58.758 58.200 -0.331 0.000 1.254 62 S CB -1.415 61.716 63.200 -0.116 0.000 1.022 62 S HN 0.217 nan 8.310 nan 0.000 0.477 63 S N -0.092 115.324 115.700 -0.473 0.000 3.364 63 S HA -0.214 4.257 4.470 0.001 0.000 0.361 63 S C 1.287 175.794 174.600 -0.155 0.000 1.107 63 S CA 1.347 59.358 58.200 -0.315 0.000 1.029 63 S CB -2.391 60.613 63.200 -0.328 0.000 0.912 63 S HN 1.105 nan 8.310 nan 0.000 0.513 64 T N -2.064 112.442 114.554 -0.081 0.000 3.034 64 T HA 0.248 4.599 4.350 0.001 0.000 0.248 64 T C 0.759 175.474 174.700 0.025 0.000 1.040 64 T CA 0.370 62.459 62.100 -0.020 0.000 1.107 64 T CB -0.107 68.770 68.868 0.016 0.000 0.932 64 T HN 0.443 nan 8.240 nan 0.000 0.474 65 R N 0.659 121.221 120.500 0.103 0.000 3.641 65 R HA -0.126 4.215 4.340 0.001 0.000 0.286 65 R C 0.003 176.451 176.300 0.247 0.000 1.153 65 R CA 0.430 56.672 56.100 0.237 0.000 0.775 65 R CB -1.506 28.750 30.300 -0.073 0.000 1.215 65 R HN 0.475 nan 8.270 nan 0.000 0.474 66 R N 0.756 121.371 120.500 0.193 0.000 2.346 66 R HA 0.378 4.719 4.340 0.001 0.000 0.311 66 R C -0.926 175.476 176.300 0.169 0.000 0.983 66 R CA -0.327 55.860 56.100 0.144 0.000 0.880 66 R CB 1.057 31.415 30.300 0.096 0.000 1.100 66 R HN 0.215 nan 8.270 nan 0.000 0.453 67 c N 4.630 123.319 118.600 0.147 0.000 2.316 67 c HA 0.418 4.989 4.570 0.001 0.000 0.324 67 c C -0.576 173.579 174.090 0.108 0.000 1.226 67 c CA -1.052 55.364 56.329 0.144 0.000 1.450 67 c CB 1.105 43.732 42.510 0.195 0.000 2.123 67 c HN 0.659 nan 8.230 nan 0.000 0.454 68 Q N 2.487 122.338 119.800 0.085 0.000 2.274 68 Q HA 0.473 4.813 4.340 0.001 0.000 0.260 68 Q C -2.149 173.880 176.000 0.047 0.000 0.974 68 Q CA -1.974 53.864 55.803 0.058 0.000 0.876 68 Q CB 1.437 30.198 28.738 0.039 0.000 1.297 68 Q HN 0.394 nan 8.270 nan 0.000 0.446 69 P HA -0.032 nan 4.420 nan 0.000 0.277 69 P C -0.426 176.880 177.300 0.009 0.000 1.309 69 P CA 0.484 63.615 63.100 0.050 0.000 0.908 69 P CB 0.394 32.127 31.700 0.055 0.000 1.178 70 I N -1.097 119.487 120.570 0.023 0.000 2.548 70 I HA 0.130 4.301 4.170 0.001 0.000 0.287 70 I C -0.130 175.934 176.117 -0.088 0.000 1.103 70 I CA -0.506 60.745 61.300 -0.083 0.000 1.049 70 I CB 1.889 39.828 38.000 -0.103 0.000 1.232 70 I HN 0.221 nan 8.210 nan 0.000 0.429 71 E N 5.780 125.870 120.200 -0.183 0.000 1.800 71 E HA 0.031 4.382 4.350 0.001 0.000 0.262 71 E C 0.072 176.484 176.600 -0.313 0.000 1.219 71 E CA 0.252 56.543 56.400 -0.182 0.000 1.051 71 E CB 0.131 29.733 29.700 -0.162 0.000 1.074 71 E HN 0.505 nan 8.360 nan 0.000 0.433 72 F N 1.391 121.221 119.950 -0.201 0.000 2.179 72 F HA -0.011 4.517 4.527 0.001 0.000 0.292 72 F C 1.002 176.437 175.800 -0.609 0.000 1.089 72 F CA 0.780 58.562 58.000 -0.363 0.000 1.295 72 F CB 0.603 39.396 39.000 -0.346 0.000 1.041 72 F HN 0.330 nan 8.300 nan 0.000 0.487 73 D N -1.816 118.336 120.400 -0.413 0.000 2.836 73 D HA 0.458 5.099 4.640 0.001 0.000 0.215 73 D C -0.602 175.551 176.300 -0.245 0.000 1.255 73 D CA -0.230 53.511 54.000 -0.431 0.000 0.822 73 D CB 1.381 41.727 40.800 -0.757 0.000 1.656 73 D HN 0.019 nan 8.370 nan 0.000 0.511 74 A N 2.363 125.093 122.820 -0.151 0.000 2.545 74 A HA 0.366 4.686 4.320 0.001 0.000 0.263 74 A C 0.721 178.272 177.584 -0.056 0.000 1.202 74 A CA 0.407 52.391 52.037 -0.089 0.000 0.959 74 A CB -0.113 18.847 19.000 -0.068 0.000 1.124 74 A HN 0.619 nan 8.150 nan 0.000 0.543 75 T N -2.360 112.164 114.554 -0.050 0.000 2.882 75 T HA 0.553 4.903 4.350 0.001 0.000 0.287 75 T C 0.884 175.584 174.700 -0.001 0.000 1.014 75 T CA 0.160 62.252 62.100 -0.014 0.000 1.049 75 T CB 1.440 70.313 68.868 0.010 0.000 1.001 75 T HN 0.408 nan 8.240 nan 0.000 0.525 76 G N 1.038 109.842 108.800 0.007 0.000 2.546 76 G HA2 0.293 4.253 3.960 0.001 0.000 0.239 76 G HA3 0.293 4.253 3.960 0.001 0.000 0.239 76 G C -0.327 174.585 174.900 0.020 0.000 1.476 76 G CA -1.152 43.954 45.100 0.011 0.000 1.064 76 G HN 0.881 nan 8.290 nan 0.000 0.561 77 N N 0.292 118.995 118.700 0.004 0.000 2.411 77 N HA 0.262 5.003 4.740 0.001 0.000 0.259 77 N C 0.278 175.762 175.510 -0.042 0.000 1.103 77 N CA -0.151 52.883 53.050 -0.027 0.000 0.954 77 N CB 0.962 39.406 38.487 -0.072 0.000 1.085 77 N HN 0.259 nan 8.380 nan 0.000 0.485 78 R N 1.377 121.855 120.500 -0.036 0.000 2.738 78 R HA 0.090 4.431 4.340 0.001 0.000 0.268 78 R C -0.337 175.926 176.300 -0.061 0.000 1.062 78 R CA 0.115 56.203 56.100 -0.022 0.000 1.158 78 R CB 0.470 30.768 30.300 -0.002 0.000 1.046 78 R HN 0.519 nan 8.270 nan 0.000 0.493 79 D N -0.092 120.306 120.400 -0.002 0.000 2.326 79 D HA 0.088 4.728 4.640 0.001 0.000 0.248 79 D C -0.150 176.207 176.300 0.095 0.000 1.001 79 D CA -0.181 53.827 54.000 0.013 0.000 0.961 79 D CB 1.441 42.252 40.800 0.018 0.000 1.183 79 D HN 0.546 nan 8.370 nan 0.000 0.502 80 Y N 0.038 120.303 120.300 -0.058 0.000 2.512 80 Y HA 0.473 5.023 4.550 0.001 0.000 0.268 80 Y C -0.280 175.609 175.900 -0.018 0.000 1.102 80 Y CA 0.323 58.406 58.100 -0.028 0.000 1.261 80 Y CB 0.730 39.136 38.460 -0.091 0.000 1.250 80 Y HN 0.481 nan 8.280 nan 0.000 0.506 81 A N -0.116 122.746 122.820 0.070 0.000 2.593 81 A HA 0.471 4.791 4.320 0.001 0.000 0.304 81 A C 0.028 177.624 177.584 0.021 0.000 1.233 81 A CA -0.622 51.409 52.037 -0.011 0.000 0.661 81 A CB 0.472 19.519 19.000 0.078 0.000 1.338 81 A HN -0.114 nan 8.150 nan 0.000 0.495 82 K N 0.603 121.010 120.400 0.012 0.000 1.981 82 K HA -0.081 4.240 4.320 0.001 0.000 0.227 82 K C -0.232 176.379 176.600 0.019 0.000 1.030 82 K CA 1.658 57.952 56.287 0.011 0.000 1.042 82 K CB -0.607 31.899 32.500 0.009 0.000 0.749 82 K HN 0.623 nan 8.250 nan 0.000 0.445 83 D N 1.408 121.823 120.400 0.024 0.000 3.179 83 D HA 0.094 4.734 4.640 0.001 0.000 0.267 83 D C -0.811 175.509 176.300 0.033 0.000 1.348 83 D CA 0.122 54.136 54.000 0.024 0.000 0.897 83 D CB -0.090 40.723 40.800 0.021 0.000 1.062 83 D HN 0.119 nan 8.370 nan 0.000 0.494 84 D N 1.001 121.426 120.400 0.041 0.000 2.363 84 D HA 0.225 4.866 4.640 0.001 0.000 0.258 84 D C -2.742 173.563 176.300 0.009 0.000 1.259 84 D CA -2.002 52.029 54.000 0.050 0.000 0.921 84 D CB 1.651 42.527 40.800 0.126 0.000 1.201 84 D HN -0.103 nan 8.370 nan 0.000 0.524 85 P HA 0.028 nan 4.420 nan 0.000 0.268 85 P C 0.817 177.877 177.300 -0.400 0.000 1.208 85 P CA -0.433 62.522 63.100 -0.242 0.000 0.777 85 P CB 1.124 32.617 31.700 -0.344 0.000 0.875 86 L N 1.460 122.442 121.223 -0.401 0.000 2.354 86 L HA 0.173 4.514 4.340 0.001 0.000 0.212 86 L C 0.600 177.090 176.870 -0.634 0.000 1.091 86 L CA 1.521 56.096 54.840 -0.441 0.000 0.828 86 L CB -0.224 41.689 42.059 -0.244 0.000 0.973 86 L HN 0.530 nan 8.230 nan 0.000 0.461 87 E N -1.197 118.567 120.200 -0.727 0.000 2.445 87 E HA 0.378 4.728 4.350 0.001 0.000 0.279 87 E C -1.676 174.420 176.600 -0.841 0.000 1.018 87 E CA -0.801 55.221 56.400 -0.629 0.000 0.816 87 E CB 1.314 30.959 29.700 -0.091 0.000 1.356 87 E HN -0.047 nan 8.360 nan 0.000 0.462 88 F N 0.644 120.518 119.950 -0.127 0.000 2.771 88 F HA 0.426 4.953 4.527 0.001 0.000 0.365 88 F C 0.675 176.482 175.800 0.012 0.000 1.169 88 F CA -0.979 56.990 58.000 -0.052 0.000 1.093 88 F CB 1.494 40.450 39.000 -0.073 0.000 1.363 88 F HN 0.408 nan 8.300 nan 0.000 0.496 89 K N 0.394 120.923 120.400 0.215 0.000 2.217 89 K HA -0.019 4.302 4.320 0.001 0.000 0.202 89 K C 0.816 177.506 176.600 0.151 0.000 1.051 89 K CA 0.730 57.153 56.287 0.227 0.000 0.952 89 K CB 0.033 32.640 32.500 0.179 0.000 0.736 89 K HN 0.650 nan 8.250 nan 0.000 0.453 90 S N 1.500 117.239 115.700 0.065 0.000 2.552 90 S HA -0.055 4.416 4.470 0.001 0.000 0.289 90 S C -0.065 174.507 174.600 -0.046 0.000 1.304 90 S CA -0.407 57.726 58.200 -0.111 0.000 1.063 90 S CB 0.092 63.152 63.200 -0.233 0.000 0.848 90 S HN 0.383 nan 8.310 nan 0.000 0.499 91 H N 0.715 119.843 119.070 0.097 0.000 2.756 91 H HA -0.155 4.402 4.556 0.001 0.000 0.315 91 H C 0.927 176.417 175.328 0.270 0.000 1.210 91 H CA 1.250 57.378 56.048 0.133 0.000 1.150 91 H CB -2.212 27.618 29.762 0.112 0.000 1.463 91 H HN 1.021 nan 8.280 nan 0.000 0.427 92 Q N -1.825 118.180 119.800 0.341 0.000 2.356 92 Q HA 0.056 4.397 4.340 0.001 0.000 0.205 92 Q C 0.250 176.512 176.000 0.437 0.000 0.901 92 Q CA 0.124 56.156 55.803 0.383 0.000 0.938 92 Q CB 0.341 29.293 28.738 0.356 0.000 1.081 92 Q HN 0.406 nan 8.270 nan 0.000 0.517 93 W N 0.829 122.174 121.300 0.075 0.000 5.563 93 W HA -0.231 4.430 4.660 0.001 0.000 0.396 93 W C -0.574 175.936 176.519 -0.016 0.000 1.519 93 W CA 0.049 57.371 57.345 -0.039 0.000 0.953 93 W CB -2.032 27.366 29.460 -0.103 0.000 2.691 93 W HN 0.395 nan 8.180 nan 0.000 1.444 94 F N 1.582 121.582 119.950 0.083 0.000 2.506 94 F HA 0.502 5.030 4.527 0.001 0.000 0.371 94 F C 1.321 177.101 175.800 -0.033 0.000 1.078 94 F CA 0.880 58.892 58.000 0.020 0.000 1.195 94 F CB 0.741 39.759 39.000 0.030 0.000 1.099 94 F HN 0.239 nan 8.300 nan 0.000 0.548 95 G N 3.594 111.926 108.800 -0.779 0.000 2.336 95 G HA2 -0.201 3.760 3.960 0.001 0.000 0.194 95 G HA3 -0.201 3.760 3.960 0.001 0.000 0.194 95 G C 1.110 175.856 174.900 -0.257 0.000 0.999 95 G CA -0.040 44.675 45.100 -0.641 0.000 0.669 95 G HN 1.238 nan 8.290 nan 0.000 0.482 96 A N 0.097 122.865 122.820 -0.086 0.000 2.084 96 A HA 0.374 4.695 4.320 0.001 0.000 0.221 96 A C 1.552 179.155 177.584 0.032 0.000 1.161 96 A CA 2.408 54.539 52.037 0.157 0.000 0.653 96 A CB -0.432 18.672 19.000 0.172 0.000 0.802 96 A HN 1.986 nan 8.150 nan 0.000 0.457 97 S N -1.643 113.974 115.700 -0.139 0.000 2.672 97 S HA 0.649 5.119 4.470 0.001 0.000 0.291 97 S C -1.041 173.429 174.600 -0.217 0.000 1.145 97 S CA -0.672 57.417 58.200 -0.185 0.000 1.013 97 S CB 1.713 64.793 63.200 -0.199 0.000 1.017 97 S HN 0.358 nan 8.310 nan 0.000 0.487 98 V N 2.905 122.711 119.914 -0.180 0.000 2.668 98 V HA 0.790 4.911 4.120 0.001 0.000 0.304 98 V C -0.459 175.592 176.094 -0.072 0.000 1.071 98 V CA -0.468 61.739 62.300 -0.154 0.000 0.894 98 V CB 2.144 33.863 31.823 -0.172 0.000 1.008 98 V HN 0.984 nan 8.190 nan 0.000 0.425 99 R N 2.877 123.373 120.500 -0.006 0.000 2.799 99 R HA 0.920 5.261 4.340 0.001 0.000 0.270 99 R C -0.714 175.814 176.300 0.380 0.000 1.010 99 R CA 0.151 56.332 56.100 0.135 0.000 0.916 99 R CB 2.386 32.701 30.300 0.026 0.000 1.228 99 R HN 0.984 nan 8.270 nan 0.000 0.469 100 S N 0.149 116.162 115.700 0.522 0.000 2.672 100 S HA 0.631 5.102 4.470 0.001 0.000 0.271 100 S C -0.956 173.668 174.600 0.041 0.000 1.171 100 S CA -0.789 57.647 58.200 0.394 0.000 0.817 100 S CB 2.050 65.432 63.200 0.303 0.000 1.150 100 S HN 0.611 nan 8.310 nan 0.000 0.478 101 K N -0.544 119.762 120.400 -0.156 0.000 2.366 101 K HA 0.379 4.700 4.320 0.001 0.000 0.312 101 K C -0.947 175.608 176.600 -0.076 0.000 0.967 101 K CA -0.473 55.660 56.287 -0.257 0.000 0.868 101 K CB 0.349 32.501 32.500 -0.580 0.000 3.506 101 K HN 0.792 nan 8.250 nan 0.000 1.211 102 Q N 1.762 121.497 119.800 -0.109 0.000 2.394 102 Q HA 0.245 4.586 4.340 0.001 0.000 0.259 102 Q C -1.064 174.927 176.000 -0.016 0.000 1.021 102 Q CA -0.069 55.687 55.803 -0.079 0.000 0.805 102 Q CB 1.613 30.292 28.738 -0.099 0.000 1.226 102 Q HN 0.619 nan 8.270 nan 0.000 0.476 103 D N 0.934 121.391 120.400 0.096 0.000 2.328 103 D HA -0.160 4.480 4.640 0.001 0.000 0.167 103 D C -0.527 175.898 176.300 0.208 0.000 1.205 103 D CA 1.442 55.567 54.000 0.209 0.000 1.128 103 D CB -0.294 40.546 40.800 0.068 0.000 1.157 103 D HN 0.562 nan 8.370 nan 0.000 0.468 104 K N 1.172 121.636 120.400 0.106 0.000 2.262 104 K HA 0.491 4.812 4.320 0.001 0.000 0.282 104 K C 0.284 176.964 176.600 0.134 0.000 1.066 104 K CA -0.191 56.133 56.287 0.061 0.000 0.901 104 K CB 1.166 33.620 32.500 -0.077 0.000 1.089 104 K HN 0.335 nan 8.250 nan 0.000 0.476 105 I N 1.576 122.281 120.570 0.224 0.000 2.466 105 I HA 0.384 4.554 4.170 0.001 0.000 0.289 105 I C -1.481 174.866 176.117 0.384 0.000 1.026 105 I CA -1.292 60.191 61.300 0.305 0.000 1.078 105 I CB 1.315 39.403 38.000 0.148 0.000 1.249 105 I HN 0.301 nan 8.210 nan 0.000 0.429 106 L N 6.845 128.268 121.223 0.333 0.000 2.282 106 L HA 0.878 5.219 4.340 0.001 0.000 0.288 106 L C -0.393 176.447 176.870 -0.051 0.000 1.033 106 L CA -0.290 54.626 54.840 0.127 0.000 0.807 106 L CB 1.191 43.219 42.059 -0.051 0.000 1.209 106 L HN 0.862 nan 8.230 nan 0.000 0.423 107 A N 4.641 127.356 122.820 -0.174 0.000 2.398 107 A HA 0.760 5.081 4.320 0.001 0.000 0.301 107 A C -0.863 176.655 177.584 -0.110 0.000 1.041 107 A CA -0.524 51.307 52.037 -0.344 0.000 0.711 107 A CB 0.890 19.428 19.000 -0.769 0.000 1.240 107 A HN 0.767 nan 8.150 nan 0.000 0.420 108 c N 0.764 119.268 118.600 -0.159 0.000 2.630 108 c HA 0.912 5.482 4.570 0.001 0.000 0.346 108 c C 0.852 175.003 174.090 0.101 0.000 1.245 108 c CA -0.090 56.227 56.329 -0.019 0.000 1.804 108 c CB 1.620 44.056 42.510 -0.124 0.000 2.279 108 c HN 1.162 nan 8.230 nan 0.000 0.498 109 A N 1.751 124.652 122.820 0.136 0.000 3.105 109 A HA 0.498 4.818 4.320 0.001 0.000 0.336 109 A C -1.482 176.172 177.584 0.116 0.000 1.042 109 A CA -0.820 51.344 52.037 0.212 0.000 0.851 109 A CB -0.028 19.143 19.000 0.286 0.000 1.068 109 A HN 0.736 nan 8.150 nan 0.000 0.477 110 P HA -0.097 nan 4.420 nan 0.000 0.234 110 P C 0.334 177.651 177.300 0.029 0.000 1.162 110 P CA 0.808 63.924 63.100 0.026 0.000 0.759 110 P CB 0.276 31.989 31.700 0.022 0.000 0.813 111 L N -1.307 119.974 121.223 0.097 0.000 3.110 111 L HA 0.227 4.568 4.340 0.001 0.000 0.266 111 L C 0.140 177.113 176.870 0.171 0.000 1.257 111 L CA -0.929 53.967 54.840 0.093 0.000 1.038 111 L CB -1.074 41.084 42.059 0.165 0.000 1.395 111 L HN -0.030 nan 8.230 nan 0.000 0.566 112 Y N 1.074 121.379 120.300 0.007 0.000 2.436 112 Y HA 0.286 4.836 4.550 0.001 0.000 0.343 112 Y C 0.046 175.939 175.900 -0.012 0.000 1.008 112 Y CA -0.196 57.940 58.100 0.060 0.000 1.241 112 Y CB 0.192 38.647 38.460 -0.009 0.000 1.153 112 Y HN 0.238 nan 8.280 nan 0.000 0.521 113 H N 5.045 123.933 119.070 -0.302 0.000 2.481 113 H HA 0.298 4.854 4.556 0.001 0.000 0.339 113 H C -1.577 173.606 175.328 -0.241 0.000 1.131 113 H CA -0.199 55.728 56.048 -0.201 0.000 1.301 113 H CB 0.749 30.451 29.762 -0.100 0.000 1.476 113 H HN 0.826 nan 8.280 nan 0.000 0.529 114 W N 4.279 125.457 121.300 -0.203 0.000 2.756 114 W HA 0.306 4.967 4.660 0.001 0.000 0.333 114 W C -0.831 175.665 176.519 -0.040 0.000 1.025 114 W CA -0.947 56.278 57.345 -0.200 0.000 1.246 114 W CB 0.970 30.284 29.460 -0.242 0.000 1.358 114 W HN 0.425 nan 8.180 nan 0.000 0.444 115 R N 4.806 125.091 120.500 -0.358 0.000 2.399 115 R HA 0.109 4.449 4.340 0.001 0.000 0.324 115 R C 0.515 176.156 176.300 -1.098 0.000 1.030 115 R CA 0.508 56.324 56.100 -0.473 0.000 0.984 115 R CB 0.327 30.392 30.300 -0.390 0.000 0.961 115 R HN 0.649 nan 8.270 nan 0.000 0.433 116 T N 0.839 114.871 114.554 -0.871 0.000 2.906 116 T HA -0.019 4.332 4.350 0.001 0.000 0.320 116 T C 0.955 175.185 174.700 -0.783 0.000 1.088 116 T CA -0.173 61.312 62.100 -1.024 0.000 1.120 116 T CB 0.758 69.415 68.868 -0.351 0.000 1.000 116 T HN 0.659 nan 8.240 nan 0.000 0.550 117 E N 1.156 121.032 120.200 -0.540 0.000 2.516 117 E HA -0.003 4.348 4.350 0.001 0.000 0.199 117 E C 1.549 178.099 176.600 -0.084 0.000 1.069 117 E CA 0.452 56.725 56.400 -0.212 0.000 0.876 117 E CB -0.152 29.633 29.700 0.142 0.000 0.843 117 E HN 0.683 nan 8.360 nan 0.000 0.530 118 M N -0.266 119.264 119.600 -0.116 0.000 2.351 118 M HA 0.059 4.539 4.480 0.001 0.000 0.250 118 M C 0.992 177.242 176.300 -0.083 0.000 1.145 118 M CA 0.866 56.143 55.300 -0.039 0.000 1.192 118 M CB 0.319 32.916 32.600 -0.006 0.000 1.267 118 M HN -0.254 nan 8.290 nan 0.000 0.467 119 K N 0.100 120.425 120.400 -0.126 0.000 2.258 119 K HA 0.289 4.610 4.320 0.001 0.000 0.236 119 K C -0.880 175.602 176.600 -0.196 0.000 1.008 119 K CA -0.616 55.601 56.287 -0.116 0.000 0.869 119 K CB 1.243 33.710 32.500 -0.055 0.000 1.171 119 K HN -0.129 nan 8.250 nan 0.000 0.447 120 Q N 1.898 121.610 119.800 -0.148 0.000 2.324 120 Q HA 0.185 4.526 4.340 0.001 0.000 0.257 120 Q C -1.111 174.827 176.000 -0.104 0.000 1.080 120 Q CA 0.679 56.391 55.803 -0.151 0.000 0.907 120 Q CB 0.467 29.153 28.738 -0.086 0.000 1.274 120 Q HN 0.505 nan 8.270 nan 0.000 0.434 121 E N 2.553 122.677 120.200 -0.126 0.000 2.440 121 E HA 0.600 4.951 4.350 0.001 0.000 0.263 121 E C -1.077 175.503 176.600 -0.034 0.000 0.938 121 E CA -0.761 55.593 56.400 -0.076 0.000 0.831 121 E CB 1.374 31.015 29.700 -0.099 0.000 1.456 121 E HN 0.533 nan 8.360 nan 0.000 0.427 122 R N 1.265 121.738 120.500 -0.046 0.000 2.734 122 R HA 0.208 4.549 4.340 0.001 0.000 0.242 122 R C -1.171 175.164 176.300 0.059 0.000 1.617 122 R CA -0.210 55.843 56.100 -0.079 0.000 1.572 122 R CB 0.994 31.067 30.300 -0.377 0.000 1.477 122 R HN 0.388 nan 8.270 nan 0.000 0.707 123 E N 3.106 123.280 120.200 -0.043 0.000 2.174 123 E HA 0.178 4.528 4.350 0.001 0.000 0.282 123 E C -2.158 174.218 176.600 -0.374 0.000 0.992 123 E CA -2.011 54.181 56.400 -0.347 0.000 0.803 123 E CB 1.535 30.929 29.700 -0.511 0.000 1.090 123 E HN 0.073 nan 8.360 nan 0.000 0.396 124 P HA -0.009 nan 4.420 nan 0.000 0.252 124 P C 0.210 177.289 177.300 -0.368 0.000 1.727 124 P CA 0.227 62.941 63.100 -0.644 0.000 1.134 124 P CB 0.663 32.032 31.700 -0.553 0.000 1.876 125 V N 3.020 122.782 119.914 -0.253 0.000 2.825 125 V HA 0.259 4.380 4.120 0.001 0.000 0.246 125 V C 1.024 177.043 176.094 -0.126 0.000 1.068 125 V CA 1.595 63.776 62.300 -0.198 0.000 1.088 125 V CB -0.940 30.779 31.823 -0.174 0.000 0.733 125 V HN 0.809 nan 8.190 nan 0.000 0.468 126 G N 0.973 109.803 108.800 0.050 0.000 2.778 126 G HA2 -0.100 3.860 3.960 0.001 0.000 0.686 126 G HA3 -0.100 3.860 3.960 0.001 0.000 0.686 126 G C -0.159 174.639 174.900 -0.170 0.000 1.309 126 G CA 0.053 45.178 45.100 0.042 0.000 0.904 126 G HN 1.137 nan 8.290 nan 0.000 0.593 127 T N -1.179 113.140 114.554 -0.392 0.000 2.883 127 T HA 0.804 5.155 4.350 0.001 0.000 0.296 127 T C 0.265 174.635 174.700 -0.549 0.000 1.117 127 T CA -0.174 61.532 62.100 -0.657 0.000 1.006 127 T CB 2.176 70.367 68.868 -1.129 0.000 1.191 127 T HN 1.369 nan 8.240 nan 0.000 0.508 128 c N 0.032 118.282 118.600 -0.582 0.000 2.967 128 c HA 0.891 5.462 4.570 0.001 0.000 0.372 128 c C -1.201 172.567 174.090 -0.536 0.000 1.455 128 c CA -0.808 55.300 56.329 -0.368 0.000 1.638 128 c CB 0.886 43.294 42.510 -0.170 0.000 2.096 128 c HN 0.925 nan 8.230 nan 0.000 0.466 129 F N 1.091 121.006 119.950 -0.057 0.000 2.689 129 F HA 0.449 4.977 4.527 0.001 0.000 0.332 129 F C -0.738 175.133 175.800 0.119 0.000 1.209 129 F CA -0.540 57.449 58.000 -0.017 0.000 1.028 129 F CB 1.243 40.194 39.000 -0.082 0.000 1.291 129 F HN 0.242 nan 8.300 nan 0.000 0.500 130 L N 5.104 126.541 121.223 0.357 0.000 2.277 130 L HA 0.470 4.811 4.340 0.001 0.000 0.284 130 L C -0.380 176.670 176.870 0.301 0.000 1.028 130 L CA -0.115 54.912 54.840 0.312 0.000 0.835 130 L CB 1.115 43.266 42.059 0.154 0.000 1.215 130 L HN 0.689 nan 8.230 nan 0.000 0.425 131 Q N 3.043 123.072 119.800 0.381 0.000 2.205 131 Q HA 0.417 4.758 4.340 0.001 0.000 0.249 131 Q C -1.158 174.867 176.000 0.042 0.000 0.948 131 Q CA -0.452 55.393 55.803 0.070 0.000 0.895 131 Q CB 1.306 29.831 28.738 -0.355 0.000 1.249 131 Q HN 0.635 nan 8.270 nan 0.000 0.458 132 D N 1.817 122.205 120.400 -0.020 0.000 2.584 132 D HA 0.242 4.882 4.640 0.001 0.000 0.238 132 D C 0.342 176.628 176.300 -0.022 0.000 1.302 132 D CA 0.844 54.846 54.000 0.004 0.000 0.884 132 D CB 0.197 41.012 40.800 0.026 0.000 1.456 132 D HN 0.814 nan 8.370 nan 0.000 0.528 133 G N 2.780 111.554 108.800 -0.043 0.000 3.729 133 G HA2 -0.452 3.509 3.960 0.001 0.000 0.327 133 G HA3 -0.452 3.509 3.960 0.001 0.000 0.327 133 G C 1.146 175.997 174.900 -0.081 0.000 1.293 133 G CA 1.837 46.907 45.100 -0.049 0.000 1.011 133 G HN 0.760 nan 8.290 nan 0.000 0.673 134 T N -1.324 113.197 114.554 -0.054 0.000 2.988 134 T HA 0.344 4.694 4.350 0.001 0.000 0.240 134 T C 1.141 175.811 174.700 -0.050 0.000 1.014 134 T CA 1.248 63.315 62.100 -0.055 0.000 1.155 134 T CB 0.102 68.952 68.868 -0.031 0.000 0.872 134 T HN 0.427 nan 8.240 nan 0.000 0.440 135 K N 3.191 123.577 120.400 -0.022 0.000 2.419 135 K HA 0.236 4.557 4.320 0.001 0.000 0.282 135 K C -0.756 175.839 176.600 -0.009 0.000 1.056 135 K CA 0.412 56.701 56.287 0.003 0.000 1.035 135 K CB 0.319 32.835 32.500 0.027 0.000 0.921 135 K HN 0.384 nan 8.250 nan 0.000 0.472 136 T N 2.246 116.794 114.554 -0.010 0.000 2.812 136 T HA 0.374 4.724 4.350 0.001 0.000 0.282 136 T C -0.460 174.220 174.700 -0.033 0.000 0.990 136 T CA -0.807 61.283 62.100 -0.016 0.000 0.960 136 T CB 1.346 70.162 68.868 -0.086 0.000 0.948 136 T HN 0.375 nan 8.240 nan 0.000 0.438 137 V N 0.821 120.704 119.914 -0.052 0.000 2.656 137 V HA 0.683 4.804 4.120 0.001 0.000 0.307 137 V C -0.345 175.629 176.094 -0.201 0.000 1.051 137 V CA -1.192 60.883 62.300 -0.375 0.000 0.893 137 V CB 1.900 33.572 31.823 -0.250 0.000 0.999 137 V HN 0.889 nan 8.190 nan 0.000 0.426 138 E N 2.948 122.872 120.200 -0.460 0.000 2.289 138 E HA 0.314 4.664 4.350 0.001 0.000 0.278 138 E C -1.732 174.780 176.600 -0.146 0.000 1.032 138 E CA -0.569 55.662 56.400 -0.281 0.000 0.854 138 E CB 0.920 30.453 29.700 -0.280 0.000 1.046 138 E HN 0.817 nan 8.360 nan 0.000 0.409 139 Y N 3.804 123.912 120.300 -0.320 0.000 2.376 139 Y HA 0.538 5.089 4.550 0.001 0.000 0.326 139 Y C -1.210 174.527 175.900 -0.271 0.000 0.970 139 Y CA -1.377 56.599 58.100 -0.207 0.000 1.248 139 Y CB 1.124 39.463 38.460 -0.202 0.000 1.117 139 Y HN 0.479 nan 8.280 nan 0.000 0.476 140 A N 9.191 131.786 122.820 -0.375 0.000 3.105 140 A HA 0.415 4.736 4.320 0.001 0.000 0.336 140 A C -2.081 175.257 177.584 -0.411 0.000 1.042 140 A CA -1.262 50.474 52.037 -0.502 0.000 0.851 140 A CB 0.142 18.896 19.000 -0.411 0.000 1.068 140 A HN 0.597 nan 8.150 nan 0.000 0.477 141 P HA -0.112 nan 4.420 nan 0.000 0.223 141 P C 1.086 178.242 177.300 -0.239 0.000 1.144 141 P CA 1.064 63.971 63.100 -0.321 0.000 0.783 141 P CB 0.118 31.540 31.700 -0.463 0.000 0.771 142 c N -1.003 117.407 118.600 -0.317 0.000 2.799 142 c HA 0.204 4.774 4.570 0.001 0.000 0.267 142 c C 1.797 175.709 174.090 -0.296 0.000 1.257 142 c CA -0.481 55.683 56.329 -0.276 0.000 1.702 142 c CB -1.644 40.688 42.510 -0.297 0.000 1.934 142 c HN 0.171 nan 8.230 nan 0.000 0.594 143 R N 1.423 121.707 120.500 -0.359 0.000 4.138 143 R HA 0.199 4.539 4.340 0.001 0.000 0.206 143 R C -0.114 175.926 176.300 -0.433 0.000 1.667 143 R CA 0.119 55.878 56.100 -0.567 0.000 1.481 143 R CB -0.179 29.707 30.300 -0.690 0.000 1.388 143 R HN 0.361 nan 8.270 nan 0.000 0.776 144 S N 0.634 116.175 115.700 -0.265 0.000 0.000 144 S HA 0.102 4.573 4.470 0.001 0.000 0.000 144 S C 0.703 175.300 174.600 -0.005 0.000 0.000 144 S CA -0.793 57.342 58.200 -0.107 0.000 0.000 144 S CB 1.662 64.833 63.200 -0.048 0.000 0.000 144 S HN 0.441 nan 8.310 nan 0.000 0.000 145 Q N 0.932 120.766 119.800 0.057 0.000 2.230 145 Q HA -0.007 4.334 4.340 0.001 0.000 0.202 145 Q C 0.008 176.074 176.000 0.111 0.000 0.963 145 Q CA 0.891 56.767 55.803 0.121 0.000 0.866 145 Q CB -0.136 28.654 28.738 0.088 0.000 0.931 145 Q HN 0.670 nan 8.270 nan 0.000 0.452 146 D N -0.025 120.417 120.400 0.070 0.000 2.338 146 D HA 0.250 4.891 4.640 0.001 0.000 0.255 146 D C -0.233 176.108 176.300 0.069 0.000 1.237 146 D CA -0.306 53.732 54.000 0.062 0.000 0.883 146 D CB 0.325 41.154 40.800 0.049 0.000 1.087 146 D HN 0.135 nan 8.370 nan 0.000 0.485 147 I N -0.329 120.291 120.570 0.083 0.000 3.730 147 I HA 0.665 4.836 4.170 0.001 0.000 0.273 147 I C -0.198 175.960 176.117 0.069 0.000 1.166 147 I CA -0.921 60.431 61.300 0.086 0.000 1.156 147 I CB 0.380 38.471 38.000 0.152 0.000 1.385 147 I HN 0.318 nan 8.210 nan 0.000 0.486 148 D N -0.708 119.741 120.400 0.081 0.000 9.143 148 D HA -0.194 4.447 4.640 0.001 0.000 0.348 148 D C 0.835 177.286 176.300 0.251 0.000 2.867 148 D CA 0.928 55.039 54.000 0.185 0.000 2.085 148 D CB -0.655 40.246 40.800 0.169 0.000 1.165 148 D HN 0.980 nan 8.370 nan 0.000 1.153 149 A N 0.810 123.899 122.820 0.447 0.000 1.892 149 A HA -0.252 4.069 4.320 0.001 0.000 0.218 149 A C 1.710 179.155 177.584 -0.232 0.000 1.188 149 A CA 2.807 54.988 52.037 0.241 0.000 0.631 149 A CB -0.596 18.517 19.000 0.189 0.000 0.822 149 A HN 0.741 nan 8.150 nan 0.000 0.447 150 D N -0.813 119.371 120.400 -0.361 0.000 2.265 150 D HA -0.035 4.606 4.640 0.001 0.000 0.208 150 D C 1.334 177.468 176.300 -0.278 0.000 0.977 150 D CA 1.388 54.958 54.000 -0.716 0.000 0.871 150 D CB -0.304 40.347 40.800 -0.248 0.000 0.925 150 D HN 0.417 nan 8.370 nan 0.000 0.485 151 G N 0.134 108.882 108.800 -0.087 0.000 3.198 151 G HA2 0.131 4.092 3.960 0.001 0.000 0.203 151 G HA3 0.131 4.092 3.960 0.001 0.000 0.203 151 G C 0.841 175.743 174.900 0.003 0.000 1.950 151 G CA -0.212 44.926 45.100 0.063 0.000 0.798 151 G HN 0.180 nan 8.290 nan 0.000 0.720 152 Q N 0.244 120.003 119.800 -0.068 0.000 2.135 152 Q HA 0.221 4.562 4.340 0.001 0.000 0.222 152 Q C 1.927 177.800 176.000 -0.212 0.000 0.808 152 Q CA 0.194 55.872 55.803 -0.208 0.000 1.049 152 Q CB 1.443 30.069 28.738 -0.187 0.000 1.168 152 Q HN 0.506 nan 8.270 nan 0.000 0.483 153 G N 0.765 109.477 108.800 -0.148 0.000 2.469 153 G HA2 -0.213 3.747 3.960 0.001 0.000 0.220 153 G HA3 -0.213 3.747 3.960 0.001 0.000 0.220 153 G C 0.622 175.133 174.900 -0.649 0.000 1.136 153 G CA 0.766 45.685 45.100 -0.301 0.000 0.759 153 G HN 0.274 nan 8.290 nan 0.000 0.562 154 F N -0.332 119.415 119.950 -0.339 0.000 2.855 154 F HA 0.299 4.826 4.527 0.001 0.000 0.317 154 F C 1.925 177.389 175.800 -0.559 0.000 1.169 154 F CA -1.242 56.487 58.000 -0.450 0.000 1.299 154 F CB -0.235 38.372 39.000 -0.655 0.000 0.962 154 F HN 0.157 nan 8.300 nan 0.000 0.506 155 c N 0.522 118.910 118.600 -0.353 0.000 2.413 155 c HA -0.177 4.393 4.570 0.001 0.000 0.276 155 c C 1.886 175.802 174.090 -0.291 0.000 1.248 155 c CA 1.333 57.444 56.329 -0.365 0.000 1.742 155 c CB -0.944 41.358 42.510 -0.347 0.000 2.017 155 c HN 0.753 nan 8.230 nan 0.000 0.481 156 Q N 0.040 119.704 119.800 -0.227 0.000 2.435 156 Q HA -0.174 4.166 4.340 0.001 0.000 0.286 156 Q C 0.454 176.379 176.000 -0.126 0.000 1.229 156 Q CA 0.197 55.913 55.803 -0.145 0.000 0.884 156 Q CB -1.789 26.887 28.738 -0.103 0.000 1.245 156 Q HN 0.929 nan 8.270 nan 0.000 0.488 157 G N -0.831 107.854 108.800 -0.191 0.000 2.380 157 G HA2 0.348 4.309 3.960 0.001 0.000 0.242 157 G HA3 0.348 4.309 3.960 0.001 0.000 0.242 157 G C 1.053 175.847 174.900 -0.177 0.000 1.298 157 G CA 0.424 45.400 45.100 -0.207 0.000 0.878 157 G HN 0.836 nan 8.290 nan 0.000 0.542 158 G N 1.303 110.018 108.800 -0.142 0.000 2.192 158 G HA2 -0.253 3.707 3.960 0.001 0.000 0.193 158 G HA3 -0.253 3.707 3.960 0.001 0.000 0.193 158 G C 0.932 175.773 174.900 -0.098 0.000 0.999 158 G CA 0.574 45.589 45.100 -0.142 0.000 0.659 158 G HN 0.669 nan 8.290 nan 0.000 0.503 159 F N 2.723 122.545 119.950 -0.213 0.000 2.126 159 F HA 0.196 4.723 4.527 0.001 0.000 0.299 159 F C 1.565 177.228 175.800 -0.229 0.000 1.096 159 F CA 2.323 60.181 58.000 -0.236 0.000 1.255 159 F CB 0.211 39.038 39.000 -0.288 0.000 0.997 159 F HN 0.521 nan 8.300 nan 0.000 0.479 160 S N 0.398 116.049 115.700 -0.081 0.000 2.614 160 S HA 0.632 5.102 4.470 0.001 0.000 0.275 160 S C -0.756 173.765 174.600 -0.132 0.000 1.161 160 S CA -0.828 57.291 58.200 -0.136 0.000 0.969 160 S CB 1.443 64.596 63.200 -0.079 0.000 1.059 160 S HN 0.268 nan 8.310 nan 0.000 0.482 161 I N -0.819 119.655 120.570 -0.160 0.000 3.108 161 I HA 0.917 5.088 4.170 0.001 0.000 0.312 161 I C -1.258 174.747 176.117 -0.186 0.000 1.095 161 I CA -0.773 60.412 61.300 -0.191 0.000 1.000 161 I CB 2.294 40.151 38.000 -0.239 0.000 1.229 161 I HN 0.559 nan 8.210 nan 0.000 0.454 162 D N 0.949 121.198 120.400 -0.251 0.000 2.751 162 D HA 0.411 5.051 4.640 0.001 0.000 0.236 162 D C -1.797 174.377 176.300 -0.210 0.000 1.196 162 D CA -0.258 53.638 54.000 -0.173 0.000 0.741 162 D CB 1.951 42.738 40.800 -0.022 0.000 1.474 162 D HN 0.422 nan 8.370 nan 0.000 0.452 163 F N 0.566 120.537 119.950 0.035 0.000 2.432 163 F HA 0.499 5.027 4.527 0.001 0.000 0.329 163 F C 1.470 177.310 175.800 0.067 0.000 1.076 163 F CA -0.403 57.621 58.000 0.040 0.000 1.018 163 F CB 1.752 40.769 39.000 0.029 0.000 1.201 163 F HN 0.088 nan 8.300 nan 0.000 0.489 164 T N -2.000 112.726 114.554 0.287 0.000 2.936 164 T HA 0.273 4.624 4.350 0.001 0.000 0.282 164 T C 0.864 175.644 174.700 0.134 0.000 1.003 164 T CA -0.848 61.368 62.100 0.192 0.000 1.005 164 T CB 1.552 70.536 68.868 0.193 0.000 1.097 164 T HN 0.779 nan 8.240 nan 0.000 0.532 165 K N 0.481 120.924 120.400 0.072 0.000 2.209 165 K HA 0.043 4.364 4.320 0.001 0.000 0.204 165 K C 1.762 178.375 176.600 0.022 0.000 1.048 165 K CA 1.166 57.471 56.287 0.031 0.000 0.940 165 K CB -0.526 31.977 32.500 0.005 0.000 0.729 165 K HN 0.574 nan 8.250 nan 0.000 0.451 166 A N 2.186 125.029 122.820 0.038 0.000 2.268 166 A HA 0.006 4.326 4.320 0.001 0.000 0.221 166 A C -0.413 177.198 177.584 0.045 0.000 1.287 166 A CA 0.344 52.400 52.037 0.032 0.000 0.902 166 A CB -0.793 18.229 19.000 0.037 0.000 0.877 166 A HN 0.580 nan 8.150 nan 0.000 0.487 167 D N -0.807 119.625 120.400 0.052 0.000 3.205 167 D HA -0.199 4.442 4.640 0.001 0.000 0.227 167 D C -0.049 176.320 176.300 0.115 0.000 1.171 167 D CA 1.442 55.482 54.000 0.066 0.000 0.929 167 D CB -0.872 39.929 40.800 0.001 0.000 0.900 167 D HN 0.726 nan 8.370 nan 0.000 0.404 168 R N 1.703 122.313 120.500 0.184 0.000 2.515 168 R HA 0.541 4.882 4.340 0.001 0.000 0.278 168 R C -0.958 175.412 176.300 0.118 0.000 1.107 168 R CA -0.783 55.392 56.100 0.126 0.000 0.945 168 R CB 1.434 31.810 30.300 0.125 0.000 1.219 168 R HN 0.133 nan 8.270 nan 0.000 0.434 169 V N 3.848 123.748 119.914 -0.024 0.000 2.546 169 V HA 0.541 4.662 4.120 0.001 0.000 0.284 169 V C -0.665 175.313 176.094 -0.193 0.000 1.050 169 V CA -0.591 61.609 62.300 -0.166 0.000 0.981 169 V CB 1.388 33.033 31.823 -0.297 0.000 0.990 169 V HN 0.754 nan 8.190 nan 0.000 0.474 170 L N 5.684 126.773 121.223 -0.222 0.000 2.322 170 L HA 0.672 5.012 4.340 0.001 0.000 0.281 170 L C -0.749 175.984 176.870 -0.228 0.000 1.014 170 L CA -0.687 53.965 54.840 -0.314 0.000 0.815 170 L CB 1.575 43.483 42.059 -0.250 0.000 1.247 170 L HN 0.857 nan 8.230 nan 0.000 0.421 171 L N 3.284 124.372 121.223 -0.225 0.000 2.333 171 L HA 0.852 5.192 4.340 0.001 0.000 0.263 171 L C -0.411 176.361 176.870 -0.163 0.000 1.014 171 L CA -0.353 54.379 54.840 -0.180 0.000 0.820 171 L CB 2.272 44.222 42.059 -0.182 0.000 1.352 171 L HN 0.607 nan 8.230 nan 0.000 0.421 172 G N 0.763 109.484 108.800 -0.131 0.000 2.702 172 G HA2 0.559 4.520 3.960 0.001 0.000 0.295 172 G HA3 0.559 4.520 3.960 0.001 0.000 0.295 172 G C -0.974 173.858 174.900 -0.114 0.000 1.446 172 G CA -0.340 44.701 45.100 -0.099 0.000 0.983 172 G HN 0.834 nan 8.290 nan 0.000 0.520 173 G N 2.860 111.555 108.800 -0.175 0.000 2.744 173 G HA2 0.558 4.519 3.960 0.001 0.000 0.309 173 G HA3 0.558 4.519 3.960 0.001 0.000 0.309 173 G C -1.757 172.982 174.900 -0.269 0.000 1.328 173 G CA -1.411 43.549 45.100 -0.234 0.000 1.034 173 G HN 0.300 nan 8.290 nan 0.000 0.518 174 P HA -0.058 nan 4.420 nan 0.000 0.215 174 P C 1.958 179.141 177.300 -0.196 0.000 1.157 174 P CA 1.252 64.180 63.100 -0.286 0.000 0.863 174 P CB 0.379 31.707 31.700 -0.619 0.000 0.787 175 G N -0.901 107.706 108.800 -0.321 0.000 3.061 175 G HA2 -0.042 3.919 3.960 0.001 0.000 0.208 175 G HA3 -0.042 3.919 3.960 0.001 0.000 0.208 175 G C 0.378 174.856 174.900 -0.703 0.000 1.175 175 G CA 0.010 44.755 45.100 -0.593 0.000 0.812 175 G HN 0.183 nan 8.290 nan 0.000 0.523 176 S N 0.049 115.401 115.700 -0.580 0.000 2.549 176 S HA 0.485 4.956 4.470 0.001 0.000 0.283 176 S C 0.517 174.602 174.600 -0.858 0.000 1.320 176 S CA -0.368 57.321 58.200 -0.852 0.000 1.058 176 S CB 0.205 62.727 63.200 -1.130 0.000 0.882 176 S HN 0.419 nan 8.310 nan 0.000 0.498 177 F N -0.193 119.606 119.950 -0.252 0.000 2.183 177 F HA -0.312 4.216 4.527 0.001 0.000 0.318 177 F C -0.211 175.382 175.800 -0.344 0.000 0.276 177 F CA 0.325 58.155 58.000 -0.282 0.000 0.912 177 F CB -0.798 38.134 39.000 -0.113 0.000 4.135 177 F HN 0.463 nan 8.300 nan 0.000 0.137 178 Y N 1.173 121.617 120.300 0.241 0.000 2.821 178 Y HA 0.264 4.815 4.550 0.001 0.000 0.331 178 Y C -0.700 175.405 175.900 0.342 0.000 1.251 178 Y CA -0.879 57.356 58.100 0.225 0.000 1.494 178 Y CB -0.804 37.823 38.460 0.279 0.000 1.493 178 Y HN 0.431 nan 8.280 nan 0.000 0.496 179 W N -0.315 121.140 121.300 0.258 0.000 5.824 179 W HA -0.354 4.307 4.660 0.001 0.000 0.365 179 W C 1.142 177.815 176.519 0.257 0.000 1.303 179 W CA 0.828 58.312 57.345 0.232 0.000 0.968 179 W CB -2.000 27.642 29.460 0.303 0.000 2.397 179 W HN 0.493 nan 8.180 nan 0.000 1.600 180 Q N 0.015 120.023 119.800 0.346 0.000 2.096 180 Q HA 0.302 4.643 4.340 0.001 0.000 0.197 180 Q C 1.689 177.825 176.000 0.227 0.000 0.964 180 Q CA 1.127 57.127 55.803 0.328 0.000 0.838 180 Q CB -0.074 28.892 28.738 0.381 0.000 0.906 180 Q HN 0.394 nan 8.270 nan 0.000 0.444 181 G N 0.313 109.155 108.800 0.070 0.000 2.373 181 G HA2 -0.034 3.927 3.960 0.001 0.000 0.634 181 G HA3 -0.034 3.927 3.960 0.001 0.000 0.634 181 G C -1.647 173.177 174.900 -0.128 0.000 1.267 181 G CA -0.320 44.754 45.100 -0.044 0.000 1.008 181 G HN 0.200 nan 8.290 nan 0.000 0.497 182 Q N -1.466 118.261 119.800 -0.121 0.000 2.736 182 Q HA 0.558 4.899 4.340 0.001 0.000 0.273 182 Q C -1.943 173.987 176.000 -0.116 0.000 0.948 182 Q CA -0.894 54.837 55.803 -0.120 0.000 0.854 182 Q CB 1.301 29.866 28.738 -0.287 0.000 1.569 182 Q HN 0.874 nan 8.270 nan 0.000 0.405 183 L N 3.702 124.851 121.223 -0.123 0.000 2.346 183 L HA 0.696 5.037 4.340 0.001 0.000 0.274 183 L C -0.687 176.052 176.870 -0.219 0.000 1.007 183 L CA -0.983 53.752 54.840 -0.175 0.000 0.818 183 L CB 1.918 43.867 42.059 -0.183 0.000 1.284 183 L HN 0.605 nan 8.230 nan 0.000 0.424 184 I N 1.650 122.070 120.570 -0.250 0.000 2.531 184 I HA 0.175 4.346 4.170 0.001 0.000 0.283 184 I C -0.503 175.461 176.117 -0.255 0.000 1.083 184 I CA -0.052 61.117 61.300 -0.218 0.000 1.071 184 I CB 2.080 39.983 38.000 -0.162 0.000 1.210 184 I HN 0.447 nan 8.210 nan 0.000 0.450 185 S N 4.663 120.176 115.700 -0.312 0.000 2.442 185 S HA 0.461 4.932 4.470 0.001 0.000 0.297 185 S C -0.936 173.574 174.600 -0.150 0.000 1.131 185 S CA -0.434 57.580 58.200 -0.310 0.000 1.092 185 S CB 0.725 63.629 63.200 -0.492 0.000 0.998 185 S HN 0.467 nan 8.310 nan 0.000 0.478 186 D N 2.700 123.004 120.400 -0.161 0.000 2.780 186 D HA 0.225 4.866 4.640 0.001 0.000 0.242 186 D C -0.699 175.494 176.300 -0.178 0.000 1.135 186 D CA -0.423 53.461 54.000 -0.194 0.000 0.859 186 D CB 1.973 42.529 40.800 -0.406 0.000 1.530 186 D HN 0.658 nan 8.370 nan 0.000 0.493 187 Q N 0.393 120.134 119.800 -0.098 0.000 2.314 187 Q HA 0.423 4.764 4.340 0.001 0.000 0.258 187 Q C 0.323 176.271 176.000 -0.087 0.000 0.954 187 Q CA -0.697 55.077 55.803 -0.048 0.000 0.890 187 Q CB 1.063 29.802 28.738 0.002 0.000 1.210 187 Q HN 0.100 nan 8.270 nan 0.000 0.410 188 V N 1.542 121.425 119.914 -0.052 0.000 3.566 188 V HA 0.080 4.201 4.120 0.001 0.000 0.301 188 V C 1.456 177.539 176.094 -0.018 0.000 1.105 188 V CA 0.885 63.154 62.300 -0.052 0.000 1.142 188 V CB 0.059 31.892 31.823 0.016 0.000 1.107 188 V HN 1.182 nan 8.190 nan 0.000 0.481 189 A N -0.360 122.461 122.820 0.001 0.000 4.320 189 A HA -0.337 3.983 4.320 0.001 0.000 0.253 189 A C 1.768 179.381 177.584 0.049 0.000 0.699 189 A CA 2.043 54.096 52.037 0.028 0.000 1.188 189 A CB -1.819 17.194 19.000 0.022 0.000 1.126 189 A HN 1.024 nan 8.150 nan 0.000 0.699 190 E N -0.600 119.626 120.200 0.043 0.000 2.400 190 E HA 0.249 4.599 4.350 0.001 0.000 0.195 190 E C 1.714 178.436 176.600 0.204 0.000 1.012 190 E CA 0.634 57.097 56.400 0.106 0.000 0.875 190 E CB -0.086 29.665 29.700 0.085 0.000 0.859 190 E HN 0.798 nan 8.360 nan 0.000 0.498 191 I N -0.284 120.313 120.570 0.045 0.000 2.628 191 I HA -0.106 4.065 4.170 0.001 0.000 0.255 191 I C 2.108 178.311 176.117 0.144 0.000 1.119 191 I CA 0.176 61.484 61.300 0.014 0.000 1.448 191 I CB 0.195 37.955 38.000 -0.401 0.000 1.133 191 I HN 0.012 nan 8.210 nan 0.000 0.438 192 V N 0.551 120.512 119.914 0.078 0.000 2.255 192 V HA -0.159 3.962 4.120 0.001 0.000 0.243 192 V C 1.601 177.776 176.094 0.135 0.000 1.038 192 V CA 1.815 64.176 62.300 0.101 0.000 1.008 192 V CB -0.243 31.617 31.823 0.062 0.000 0.645 192 V HN 0.535 nan 8.190 nan 0.000 0.449 193 S N -0.239 115.523 115.700 0.104 0.000 4.120 193 S HA 0.312 4.783 4.470 0.001 0.000 0.196 193 S C 0.309 174.962 174.600 0.088 0.000 1.447 193 S CA -0.026 58.226 58.200 0.086 0.000 0.939 193 S CB 0.267 63.501 63.200 0.056 0.000 1.496 193 S HN 0.447 nan 8.310 nan 0.000 0.460 194 K N 0.620 121.088 120.400 0.113 0.000 2.084 194 K HA 0.133 4.454 4.320 0.001 0.000 0.146 194 K C -0.617 176.026 176.600 0.072 0.000 2.005 194 K CA -0.397 55.921 56.287 0.051 0.000 1.016 194 K CB -0.379 32.137 32.500 0.027 0.000 1.999 194 K HN 0.603 nan 8.250 nan 0.000 0.451 195 Y N 1.976 122.300 120.300 0.039 0.000 2.544 195 Y HA 0.260 4.811 4.550 0.001 0.000 0.330 195 Y C -0.709 175.201 175.900 0.017 0.000 1.136 195 Y CA 0.174 58.303 58.100 0.048 0.000 1.417 195 Y CB 0.616 39.131 38.460 0.092 0.000 1.229 195 Y HN 0.035 nan 8.280 nan 0.000 0.532 196 D N 8.943 129.034 120.400 -0.515 0.000 2.505 196 D HA 0.278 4.919 4.640 0.001 0.000 0.250 196 D C -2.043 173.824 176.300 -0.722 0.000 1.164 196 D CA -2.510 51.175 54.000 -0.525 0.000 0.870 196 D CB 1.829 42.476 40.800 -0.254 0.000 1.160 196 D HN 0.296 nan 8.370 nan 0.000 0.549 197 P HA -0.076 nan 4.420 nan 0.000 0.229 197 P C -0.092 177.128 177.300 -0.133 0.000 1.150 197 P CA 0.560 63.405 63.100 -0.425 0.000 0.765 197 P CB 0.313 31.886 31.700 -0.212 0.000 0.783 198 N N -0.187 118.399 118.700 -0.191 0.000 2.321 198 N HA 0.152 4.893 4.740 0.001 0.000 0.242 198 N C -0.369 174.974 175.510 -0.277 0.000 1.141 198 N CA 0.032 52.974 53.050 -0.179 0.000 0.864 198 N CB 1.543 39.941 38.487 -0.148 0.000 1.100 198 N HN 0.052 nan 8.380 nan 0.000 0.510 199 V N 1.182 120.945 119.914 -0.252 0.000 2.697 199 V HA 0.310 4.431 4.120 0.001 0.000 0.300 199 V C -1.728 174.321 176.094 -0.075 0.000 1.115 199 V CA -0.697 61.444 62.300 -0.266 0.000 0.912 199 V CB 1.024 32.748 31.823 -0.165 0.000 1.024 199 V HN 0.080 nan 8.190 nan 0.000 0.431 200 Y N 5.329 125.667 120.300 0.065 0.000 2.812 200 Y HA 0.752 5.303 4.550 0.001 0.000 0.354 200 Y C 1.025 176.904 175.900 -0.035 0.000 1.276 200 Y CA -0.292 57.836 58.100 0.048 0.000 1.639 200 Y CB 0.449 39.025 38.460 0.193 0.000 1.741 200 Y HN 0.642 nan 8.280 nan 0.000 0.479 201 S N -0.817 114.911 115.700 0.046 0.000 6.091 201 S HA 0.216 4.686 4.470 0.001 0.000 0.111 201 S C -0.423 174.146 174.600 -0.052 0.000 1.151 201 S CA -0.303 57.885 58.200 -0.021 0.000 1.412 201 S CB 0.031 63.229 63.200 -0.003 0.000 2.012 201 S HN 0.359 nan 8.310 nan 0.000 0.574 202 I N 2.935 123.444 120.570 -0.102 0.000 8.555 202 I HA -0.194 3.977 4.170 0.001 0.000 0.126 202 I C -1.175 174.738 176.117 -0.339 0.000 1.837 202 I CA 0.227 61.378 61.300 -0.250 0.000 2.075 202 I CB -0.316 37.480 38.000 -0.340 0.000 3.814 202 I HN 0.248 nan 8.210 nan 0.000 0.181 203 K N 7.131 127.370 120.400 -0.268 0.000 2.205 203 K HA 0.570 4.891 4.320 0.001 0.000 0.279 203 K C -0.828 175.617 176.600 -0.258 0.000 1.027 203 K CA -0.242 55.949 56.287 -0.159 0.000 0.932 203 K CB 0.692 33.152 32.500 -0.066 0.000 1.032 203 K HN 0.204 nan 8.250 nan 0.000 0.466 204 Y N 1.792 122.108 120.300 0.027 0.000 2.341 204 Y HA 0.217 4.768 4.550 0.001 0.000 0.337 204 Y C 1.249 177.158 175.900 0.015 0.000 1.014 204 Y CA -0.589 57.526 58.100 0.025 0.000 1.111 204 Y CB 1.204 39.686 38.460 0.036 0.000 1.194 204 Y HN 0.604 nan 8.280 nan 0.000 0.462 205 N N 1.883 120.666 118.700 0.138 0.000 2.006 205 N HA -0.205 4.536 4.740 0.001 0.000 0.196 205 N C 0.177 175.733 175.510 0.077 0.000 1.057 205 N CA 1.553 54.652 53.050 0.081 0.000 0.853 205 N CB -0.345 38.175 38.487 0.057 0.000 1.051 205 N HN 0.707 nan 8.380 nan 0.000 0.423 206 N N 1.243 119.989 118.700 0.075 0.000 2.416 206 N HA -0.013 4.728 4.740 0.001 0.000 0.215 206 N C 0.118 175.661 175.510 0.054 0.000 1.208 206 N CA -0.201 52.883 53.050 0.057 0.000 0.834 206 N CB 0.253 38.769 38.487 0.048 0.000 1.072 206 N HN 0.348 nan 8.380 nan 0.000 0.472 207 Q N 1.289 121.130 119.800 0.069 0.000 2.395 207 Q HA 0.155 4.495 4.340 0.001 0.000 0.271 207 Q C -0.827 175.190 176.000 0.028 0.000 1.026 207 Q CA 0.345 56.176 55.803 0.047 0.000 0.900 207 Q CB 0.666 29.458 28.738 0.089 0.000 1.266 207 Q HN 0.315 nan 8.270 nan 0.000 0.430 208 L N 2.272 123.494 121.223 -0.002 0.000 2.362 208 L HA 0.864 5.205 4.340 0.001 0.000 0.271 208 L C -0.948 175.888 176.870 -0.057 0.000 1.002 208 L CA -0.681 54.154 54.840 -0.007 0.000 0.818 208 L CB 2.090 44.167 42.059 0.029 0.000 1.298 208 L HN 0.796 nan 8.230 nan 0.000 0.420 209 A N 0.607 123.394 122.820 -0.055 0.000 2.577 209 A HA 0.603 4.923 4.320 0.001 0.000 0.297 209 A C -0.486 177.054 177.584 -0.072 0.000 1.060 209 A CA -0.503 51.489 52.037 -0.075 0.000 0.697 209 A CB 1.601 20.582 19.000 -0.032 0.000 1.281 209 A HN 0.633 nan 8.150 nan 0.000 0.402 210 T N 0.268 114.765 114.554 -0.096 0.000 2.913 210 T HA 0.618 4.968 4.350 0.001 0.000 0.297 210 T C 0.273 175.018 174.700 0.075 0.000 1.029 210 T CA -0.162 61.897 62.100 -0.070 0.000 1.104 210 T CB 0.401 69.211 68.868 -0.097 0.000 0.964 210 T HN 0.716 nan 8.240 nan 0.000 0.532 211 R N 0.993 121.507 120.500 0.023 0.000 2.607 211 R HA 0.497 4.838 4.340 0.001 0.000 0.261 211 R C 0.239 176.410 176.300 -0.214 0.000 1.051 211 R CA -0.869 55.191 56.100 -0.068 0.000 1.110 211 R CB 0.612 30.845 30.300 -0.112 0.000 1.158 211 R HN 0.678 nan 8.270 nan 0.000 0.543 212 T N 1.316 115.426 114.554 -0.740 0.000 2.902 212 T HA 0.235 4.586 4.350 0.001 0.000 0.301 212 T C 0.119 174.631 174.700 -0.313 0.000 1.012 212 T CA -0.070 61.468 62.100 -0.936 0.000 1.151 212 T CB 0.849 69.156 68.868 -0.936 0.000 0.946 212 T HN 0.619 nan 8.240 nan 0.000 0.542 213 A N 3.439 126.185 122.820 -0.123 0.000 2.326 213 A HA 0.652 4.973 4.320 0.001 0.000 0.303 213 A C 0.218 177.868 177.584 0.111 0.000 1.164 213 A CA -0.892 51.097 52.037 -0.080 0.000 0.929 213 A CB 0.435 19.261 19.000 -0.292 0.000 1.363 213 A HN 0.724 nan 8.150 nan 0.000 0.498 214 Q N -1.073 118.894 119.800 0.280 0.000 2.584 214 Q HA 0.390 4.731 4.340 0.001 0.000 0.235 214 Q C 1.351 177.565 176.000 0.358 0.000 1.079 214 Q CA 0.688 56.692 55.803 0.335 0.000 0.977 214 Q CB 0.202 29.166 28.738 0.376 0.000 1.293 214 Q HN 0.822 nan 8.270 nan 0.000 0.553 215 A N 0.671 123.628 122.820 0.228 0.000 1.972 215 A HA -0.180 4.141 4.320 0.001 0.000 0.219 215 A C 1.813 179.484 177.584 0.145 0.000 1.169 215 A CA 1.329 53.479 52.037 0.189 0.000 0.635 215 A CB -0.588 18.478 19.000 0.110 0.000 0.810 215 A HN 0.740 nan 8.150 nan 0.000 0.446 216 I N -1.172 119.438 120.570 0.067 0.000 2.335 216 I HA -0.186 3.985 4.170 0.001 0.000 0.251 216 I C 1.489 177.523 176.117 -0.138 0.000 1.129 216 I CA 1.164 62.402 61.300 -0.104 0.000 1.402 216 I CB -0.437 37.406 38.000 -0.262 0.000 1.069 216 I HN 0.318 nan 8.210 nan 0.000 0.424 217 F N 0.384 120.404 119.950 0.116 0.000 2.811 217 F HA 0.061 4.589 4.527 0.001 0.000 0.301 217 F C 0.937 176.840 175.800 0.172 0.000 1.151 217 F CA -0.357 57.730 58.000 0.146 0.000 1.412 217 F CB -0.799 38.307 39.000 0.176 0.000 1.113 217 F HN -0.032 nan 8.300 nan 0.000 0.579 218 D N 0.901 121.493 120.400 0.320 0.000 2.449 218 D HA -0.066 4.575 4.640 0.001 0.000 0.236 218 D C 0.631 177.073 176.300 0.237 0.000 1.149 218 D CA 0.650 54.845 54.000 0.325 0.000 0.878 218 D CB 0.211 41.187 40.800 0.293 0.000 1.198 218 D HN 0.196 nan 8.370 nan 0.000 0.446 219 D N 0.352 120.938 120.400 0.310 0.000 2.981 219 D HA -0.156 4.485 4.640 0.001 0.000 0.223 219 D C 0.372 176.643 176.300 -0.048 0.000 1.151 219 D CA 0.564 54.657 54.000 0.156 0.000 0.827 219 D CB -1.097 39.701 40.800 -0.004 0.000 1.101 219 D HN 0.216 nan 8.370 nan 0.000 0.426 220 S N -1.657 114.112 115.700 0.115 0.000 2.458 220 S HA -0.002 4.469 4.470 0.001 0.000 0.223 220 S C 0.941 175.590 174.600 0.083 0.000 1.019 220 S CA 0.131 58.364 58.200 0.054 0.000 0.937 220 S CB 0.126 63.429 63.200 0.171 0.000 0.788 220 S HN 0.551 nan 8.310 nan 0.000 0.511 221 Y N -0.646 119.715 120.300 0.102 0.000 4.644 221 Y HA -0.183 4.367 4.550 0.001 0.000 0.241 221 Y C 0.182 176.095 175.900 0.023 0.000 1.077 221 Y CA -0.645 57.499 58.100 0.073 0.000 2.080 221 Y CB -1.776 36.744 38.460 0.100 0.000 1.613 221 Y HN 0.260 nan 8.280 nan 0.000 0.686 222 L N 1.530 122.841 121.223 0.147 0.000 2.601 222 L HA 0.331 4.672 4.340 0.001 0.000 0.277 222 L C 1.053 177.948 176.870 0.041 0.000 1.219 222 L CA 2.130 57.007 54.840 0.062 0.000 0.915 222 L CB 0.841 42.960 42.059 0.101 0.000 1.160 222 L HN 0.430 nan 8.230 nan 0.000 0.494 223 G N 3.166 111.991 108.800 0.042 0.000 2.184 223 G HA2 -0.351 3.609 3.960 0.001 0.000 0.206 223 G HA3 -0.351 3.609 3.960 0.001 0.000 0.206 223 G C 0.645 175.567 174.900 0.036 0.000 0.995 223 G CA 0.384 45.487 45.100 0.004 0.000 0.651 223 G HN 0.801 nan 8.290 nan 0.000 0.511 224 Y N 1.379 121.661 120.300 -0.030 0.000 2.224 224 Y HA 0.340 4.890 4.550 0.001 0.000 0.289 224 Y C 1.596 177.578 175.900 0.138 0.000 1.146 224 Y CA 2.439 60.578 58.100 0.064 0.000 1.182 224 Y CB 0.248 38.723 38.460 0.025 0.000 0.983 224 Y HN 0.420 nan 8.280 nan 0.000 0.524 225 S N -0.867 114.939 115.700 0.177 0.000 2.564 225 S HA 0.663 5.134 4.470 0.001 0.000 0.274 225 S C -1.935 172.676 174.600 0.018 0.000 1.124 225 S CA -0.628 57.598 58.200 0.043 0.000 0.869 225 S CB 1.569 64.779 63.200 0.017 0.000 1.105 225 S HN -0.057 nan 8.310 nan 0.000 0.472 226 V N 2.229 122.137 119.914 -0.011 0.000 2.851 226 V HA 0.911 5.032 4.120 0.001 0.000 0.307 226 V C -0.735 175.376 176.094 0.029 0.000 1.129 226 V CA 0.146 62.460 62.300 0.023 0.000 0.932 226 V CB 1.623 33.455 31.823 0.015 0.000 1.024 226 V HN 1.305 nan 8.190 nan 0.000 0.426 227 A N 4.455 127.325 122.820 0.084 0.000 2.556 227 A HA 0.953 5.274 4.320 0.001 0.000 0.294 227 A C -1.769 175.926 177.584 0.186 0.000 1.091 227 A CA -0.587 51.510 52.037 0.100 0.000 0.704 227 A CB 2.314 21.359 19.000 0.075 0.000 1.300 227 A HN 1.167 nan 8.150 nan 0.000 0.406 228 V N 0.129 120.149 119.914 0.176 0.000 2.760 228 V HA 0.881 5.002 4.120 0.001 0.000 0.309 228 V C 0.176 176.324 176.094 0.091 0.000 1.077 228 V CA 0.730 63.147 62.300 0.195 0.000 0.910 228 V CB 2.078 34.036 31.823 0.226 0.000 1.008 228 V HN 1.894 nan 8.190 nan 0.000 0.424 229 G N 2.957 111.741 108.800 -0.027 0.000 2.601 229 G HA2 0.450 4.410 3.960 0.001 0.000 0.291 229 G HA3 0.450 4.410 3.960 0.001 0.000 0.291 229 G C -1.984 172.505 174.900 -0.685 0.000 1.456 229 G CA -0.606 44.300 45.100 -0.324 0.000 0.804 229 G HN 0.610 nan 8.290 nan 0.000 0.499 230 D N -0.123 119.922 120.400 -0.592 0.000 2.339 230 D HA 0.540 5.181 4.640 0.001 0.000 0.241 230 D C 0.046 176.030 176.300 -0.526 0.000 1.183 230 D CA -0.366 53.371 54.000 -0.439 0.000 0.859 230 D CB 0.547 41.233 40.800 -0.190 0.000 1.067 230 D HN 0.081 nan 8.370 nan 0.000 0.484 231 F N 1.513 121.552 119.950 0.150 0.000 2.522 231 F HA 0.159 4.687 4.527 0.001 0.000 0.275 231 F C 1.378 177.293 175.800 0.192 0.000 0.890 231 F CA -0.491 57.657 58.000 0.248 0.000 1.157 231 F CB -0.970 38.262 39.000 0.386 0.000 1.117 231 F HN 0.307 nan 8.300 nan 0.000 0.787 232 N N 1.624 120.494 118.700 0.283 0.000 2.440 232 N HA 0.070 4.811 4.740 0.001 0.000 0.265 232 N C 0.934 176.503 175.510 0.098 0.000 1.239 232 N CA 1.231 54.358 53.050 0.129 0.000 0.909 232 N CB 0.708 39.197 38.487 0.004 0.000 1.066 232 N HN 0.495 nan 8.380 nan 0.000 0.474 233 G N 4.282 113.146 108.800 0.108 0.000 2.684 233 G HA2 -0.364 3.596 3.960 0.001 0.000 0.342 233 G HA3 -0.364 3.596 3.960 0.001 0.000 0.342 233 G C -0.225 174.717 174.900 0.071 0.000 1.316 233 G CA 1.255 46.404 45.100 0.083 0.000 0.994 233 G HN 0.810 nan 8.290 nan 0.000 0.541 234 D N -2.292 118.130 120.400 0.037 0.000 2.585 234 D HA 0.598 5.239 4.640 0.001 0.000 0.254 234 D C 0.758 177.054 176.300 -0.005 0.000 1.067 234 D CA 1.261 55.270 54.000 0.015 0.000 1.090 234 D CB 1.303 42.110 40.800 0.011 0.000 1.408 234 D HN 1.633 nan 8.370 nan 0.000 0.554 235 G N -0.661 108.128 108.800 -0.018 0.000 2.964 235 G HA2 -0.095 3.866 3.960 0.001 0.000 0.229 235 G HA3 -0.095 3.866 3.960 0.001 0.000 0.229 235 G C -0.613 174.265 174.900 -0.038 0.000 1.395 235 G CA 0.062 45.148 45.100 -0.023 0.000 1.060 235 G HN 0.666 nan 8.290 nan 0.000 0.568 236 I N 1.081 121.622 120.570 -0.048 0.000 3.449 236 I HA 0.565 4.736 4.170 0.001 0.000 0.294 236 I C -0.077 175.973 176.117 -0.111 0.000 1.163 236 I CA -1.700 59.563 61.300 -0.062 0.000 1.010 236 I CB 0.465 38.441 38.000 -0.040 0.000 1.307 236 I HN 0.421 nan 8.210 nan 0.000 0.518 237 D N 1.634 121.967 120.400 -0.111 0.000 2.424 237 D HA 0.144 4.785 4.640 0.001 0.000 0.244 237 D C -0.968 175.137 176.300 -0.325 0.000 1.134 237 D CA 0.347 54.252 54.000 -0.158 0.000 0.881 237 D CB 0.708 41.481 40.800 -0.046 0.000 1.191 237 D HN 0.494 nan 8.370 nan 0.000 0.445 238 D N 0.365 120.578 120.400 -0.311 0.000 2.326 238 D HA 0.339 4.979 4.640 0.001 0.000 0.248 238 D C -0.426 175.684 176.300 -0.315 0.000 1.001 238 D CA -0.443 53.304 54.000 -0.422 0.000 0.961 238 D CB 0.885 41.667 40.800 -0.031 0.000 1.183 238 D HN 0.207 nan 8.370 nan 0.000 0.502 239 F N 0.240 120.348 119.950 0.264 0.000 2.411 239 F HA 0.466 4.994 4.527 0.001 0.000 0.350 239 F C 0.018 176.006 175.800 0.312 0.000 1.114 239 F CA -0.898 57.266 58.000 0.273 0.000 1.135 239 F CB 0.911 40.059 39.000 0.248 0.000 1.120 239 F HN -0.156 nan 8.300 nan 0.000 0.495 240 V N 2.651 122.824 119.914 0.432 0.000 2.444 240 V HA 0.493 4.614 4.120 0.001 0.000 0.294 240 V C -0.489 175.727 176.094 0.202 0.000 1.022 240 V CA -0.463 62.000 62.300 0.272 0.000 0.850 240 V CB 1.610 33.566 31.823 0.223 0.000 0.992 240 V HN 0.793 nan 8.190 nan 0.000 0.426 241 S N 3.250 119.052 115.700 0.169 0.000 2.547 241 S HA 0.765 5.235 4.470 0.001 0.000 0.281 241 S C -0.054 174.540 174.600 -0.011 0.000 1.118 241 S CA -0.184 58.076 58.200 0.100 0.000 0.947 241 S CB 1.755 65.054 63.200 0.165 0.000 1.053 241 S HN 1.080 nan 8.310 nan 0.000 0.482 242 G N 1.893 110.662 108.800 -0.051 0.000 2.339 242 G HA2 0.512 4.473 3.960 0.001 0.000 0.287 242 G HA3 0.512 4.473 3.960 0.001 0.000 0.287 242 G C -0.551 174.278 174.900 -0.118 0.000 1.163 242 G CA -0.467 44.552 45.100 -0.135 0.000 0.872 242 G HN 0.813 nan 8.290 nan 0.000 0.464 243 V N 4.901 124.688 119.914 -0.210 0.000 2.204 243 V HA 0.194 4.315 4.120 0.001 0.000 0.264 243 V C -0.969 175.014 176.094 -0.184 0.000 1.106 243 V CA -1.338 60.845 62.300 -0.195 0.000 0.947 243 V CB 1.070 32.662 31.823 -0.385 0.000 1.164 243 V HN 0.703 nan 8.190 nan 0.000 0.461 244 P HA -0.181 nan 4.420 nan 0.000 0.220 244 P C 1.012 178.044 177.300 -0.447 0.000 1.144 244 P CA 1.306 64.067 63.100 -0.563 0.000 0.800 244 P CB 0.406 31.292 31.700 -1.355 0.000 0.772 245 R N -1.188 119.128 120.500 -0.306 0.000 2.397 245 R HA 0.364 4.705 4.340 0.001 0.000 0.241 245 R C 1.051 177.292 176.300 -0.098 0.000 0.914 245 R CA -0.296 55.676 56.100 -0.213 0.000 1.071 245 R CB 0.357 30.443 30.300 -0.357 0.000 1.116 245 R HN 0.116 nan 8.270 nan 0.000 0.524 246 A N 1.357 124.147 122.820 -0.051 0.000 2.504 246 A HA 0.386 4.707 4.320 0.001 0.000 0.242 246 A C 1.152 178.760 177.584 0.041 0.000 1.100 246 A CA 0.579 52.636 52.037 0.033 0.000 0.786 246 A CB -0.083 18.950 19.000 0.054 0.000 1.050 246 A HN 0.444 nan 8.150 nan 0.000 0.512 247 A N -0.011 122.850 122.820 0.069 0.000 5.295 247 A HA -0.232 4.089 4.320 0.001 0.000 0.313 247 A C 0.668 178.248 177.584 -0.007 0.000 1.912 247 A CA 2.177 54.233 52.037 0.031 0.000 0.714 247 A CB -1.267 17.753 19.000 0.034 0.000 1.319 247 A HN 1.393 nan 8.150 nan 0.000 0.375 248 R N 0.110 120.604 120.500 -0.011 0.000 3.194 248 R HA 0.539 4.880 4.340 0.001 0.000 0.306 248 R C 0.423 176.715 176.300 -0.012 0.000 1.347 248 R CA 0.808 56.895 56.100 -0.021 0.000 1.540 248 R CB 0.037 30.323 30.300 -0.023 0.000 1.352 248 R HN 1.202 nan 8.270 nan 0.000 0.621 249 T N -1.324 113.222 114.554 -0.014 0.000 6.157 249 T HA -0.231 4.120 4.350 0.001 0.000 0.281 249 T C 1.029 175.745 174.700 0.027 0.000 2.039 249 T CA 1.188 63.289 62.100 0.001 0.000 3.312 249 T CB -1.506 67.371 68.868 0.015 0.000 1.589 249 T HN 0.374 nan 8.240 nan 0.000 1.129 250 L N 0.670 121.903 121.223 0.016 0.000 2.005 250 L HA 0.315 4.656 4.340 0.001 0.000 0.207 250 L C 1.711 178.608 176.870 0.046 0.000 1.072 250 L CA 1.566 56.414 54.840 0.013 0.000 0.744 250 L CB -0.541 41.508 42.059 -0.016 0.000 0.895 250 L HN 0.854 nan 8.230 nan 0.000 0.433 251 G N -0.781 108.065 108.800 0.076 0.000 2.539 251 G HA2 0.016 3.977 3.960 0.001 0.000 0.686 251 G HA3 0.016 3.977 3.960 0.001 0.000 0.686 251 G C -1.082 174.000 174.900 0.303 0.000 1.258 251 G CA -0.720 44.505 45.100 0.209 0.000 0.846 251 G HN -0.048 nan 8.290 nan 0.000 0.647 252 M N -0.188 119.610 119.600 0.331 0.000 2.523 252 M HA 0.439 4.919 4.480 0.001 0.000 0.287 252 M C -1.074 175.283 176.300 0.096 0.000 1.160 252 M CA -0.778 54.711 55.300 0.315 0.000 0.902 252 M CB 2.544 35.269 32.600 0.209 0.000 1.752 252 M HN 0.663 nan 8.290 nan 0.000 0.504 253 V N 3.130 123.176 119.914 0.219 0.000 2.487 253 V HA 0.520 4.641 4.120 0.001 0.000 0.298 253 V C -1.349 174.935 176.094 0.317 0.000 1.028 253 V CA -0.666 61.650 62.300 0.027 0.000 0.860 253 V CB 1.940 33.618 31.823 -0.242 0.000 0.991 253 V HN 0.586 nan 8.190 nan 0.000 0.427 254 Y N 4.444 124.761 120.300 0.028 0.000 2.342 254 Y HA 0.596 5.147 4.550 0.001 0.000 0.334 254 Y C 0.256 176.073 175.900 -0.138 0.000 1.067 254 Y CA -1.829 56.214 58.100 -0.095 0.000 1.128 254 Y CB 1.391 39.736 38.460 -0.193 0.000 1.200 254 Y HN 0.329 nan 8.280 nan 0.000 0.464 255 I N 4.340 124.867 120.570 -0.072 0.000 2.433 255 I HA 0.335 4.506 4.170 0.001 0.000 0.292 255 I C -0.896 175.089 176.117 -0.220 0.000 1.001 255 I CA -1.073 60.206 61.300 -0.034 0.000 1.119 255 I CB 1.238 39.245 38.000 0.013 0.000 1.289 255 I HN 0.553 nan 8.210 nan 0.000 0.438 256 Y N 2.195 122.581 120.300 0.143 0.000 2.562 256 Y HA 0.264 4.815 4.550 0.001 0.000 0.343 256 Y C 0.532 176.425 175.900 -0.013 0.000 1.025 256 Y CA -0.902 57.259 58.100 0.103 0.000 1.082 256 Y CB 1.568 40.183 38.460 0.257 0.000 1.264 256 Y HN 0.476 nan 8.280 nan 0.000 0.478 257 D N 0.835 121.343 120.400 0.180 0.000 2.458 257 D HA -0.009 4.632 4.640 0.001 0.000 0.243 257 D C 1.031 177.262 176.300 -0.114 0.000 1.146 257 D CA 0.572 54.582 54.000 0.016 0.000 0.877 257 D CB 1.645 42.477 40.800 0.053 0.000 1.176 257 D HN 0.942 nan 8.370 nan 0.000 0.461 258 G N 3.455 112.068 108.800 -0.311 0.000 2.625 258 G HA2 -0.175 3.786 3.960 0.001 0.000 0.214 258 G HA3 -0.175 3.786 3.960 0.001 0.000 0.214 258 G C 1.291 176.158 174.900 -0.055 0.000 1.132 258 G CA 0.502 45.285 45.100 -0.528 0.000 0.782 258 G HN 0.390 nan 8.290 nan 0.000 0.538 259 K N -0.711 119.703 120.400 0.024 0.000 2.567 259 K HA 0.125 4.446 4.320 0.001 0.000 0.199 259 K C 1.708 178.360 176.600 0.086 0.000 1.412 259 K CA 0.104 56.438 56.287 0.078 0.000 1.020 259 K CB -0.233 32.290 32.500 0.039 0.000 1.487 259 K HN 0.043 nan 8.250 nan 0.000 0.531 260 N N 1.026 119.767 118.700 0.069 0.000 2.207 260 N HA -0.047 4.694 4.740 0.001 0.000 0.182 260 N C 0.870 176.430 175.510 0.083 0.000 1.020 260 N CA 0.869 53.958 53.050 0.064 0.000 0.858 260 N CB -0.012 38.506 38.487 0.052 0.000 0.991 260 N HN 0.080 nan 8.380 nan 0.000 0.427 261 M N -0.306 119.370 119.600 0.127 0.000 2.985 261 M HA -0.170 4.311 4.480 0.001 0.000 0.222 261 M C -0.973 175.412 176.300 0.142 0.000 0.535 261 M CA -0.137 55.248 55.300 0.141 0.000 0.813 261 M CB -2.273 30.357 32.600 0.051 0.000 2.924 261 M HN 0.134 nan 8.290 nan 0.000 0.437 262 S N -1.017 114.787 115.700 0.173 0.000 2.586 262 S HA 0.707 5.178 4.470 0.001 0.000 0.274 262 S C 0.336 175.094 174.600 0.264 0.000 1.281 262 S CA -0.109 58.198 58.200 0.178 0.000 1.035 262 S CB 1.875 65.124 63.200 0.081 0.000 0.962 262 S HN 0.614 nan 8.310 nan 0.000 0.512 263 S N 2.058 117.882 115.700 0.205 0.000 2.498 263 S HA 0.183 4.654 4.470 0.001 0.000 0.281 263 S C 0.810 175.330 174.600 -0.133 0.000 1.265 263 S CA -0.738 57.426 58.200 -0.059 0.000 1.071 263 S CB -0.379 62.702 63.200 -0.198 0.000 0.894 263 S HN 0.628 nan 8.310 nan 0.000 0.491 264 L N 4.904 125.979 121.223 -0.247 0.000 2.228 264 L HA 0.355 4.695 4.340 0.001 0.000 0.196 264 L C 0.069 176.702 176.870 -0.394 0.000 1.162 264 L CA 1.537 56.108 54.840 -0.448 0.000 0.801 264 L CB -1.077 40.548 42.059 -0.723 0.000 0.983 264 L HN 0.637 nan 8.230 nan 0.000 0.471 265 Y N -1.170 119.119 120.300 -0.019 0.000 2.675 265 Y HA 0.534 5.085 4.550 0.001 0.000 0.328 265 Y C 0.041 175.927 175.900 -0.024 0.000 1.092 265 Y CA -1.869 56.222 58.100 -0.015 0.000 1.190 265 Y CB 0.557 39.058 38.460 0.069 0.000 1.350 265 Y HN 0.091 nan 8.280 nan 0.000 0.525 266 N N -0.609 118.192 118.700 0.169 0.000 2.484 266 N HA 0.566 5.307 4.740 0.001 0.000 0.269 266 N C -2.150 173.406 175.510 0.077 0.000 1.237 266 N CA -0.717 52.456 53.050 0.205 0.000 0.838 266 N CB 1.715 40.260 38.487 0.096 0.000 1.593 266 N HN 0.358 nan 8.380 nan 0.000 0.485 267 F N -0.181 119.861 119.950 0.155 0.000 2.578 267 F HA 0.568 5.095 4.527 0.001 0.000 0.311 267 F C 0.065 176.020 175.800 0.258 0.000 1.094 267 F CA -0.340 57.758 58.000 0.163 0.000 0.923 267 F CB 2.337 41.452 39.000 0.192 0.000 1.230 267 F HN 0.131 nan 8.300 nan 0.000 0.450 268 T N 0.963 115.643 114.554 0.210 0.000 2.893 268 T HA 0.643 4.994 4.350 0.001 0.000 0.291 268 T C 0.117 174.457 174.700 -0.600 0.000 1.028 268 T CA -0.903 61.183 62.100 -0.022 0.000 0.995 268 T CB 1.870 70.731 68.868 -0.012 0.000 1.051 268 T HN 0.832 nan 8.240 nan 0.000 0.470 269 G N 0.358 108.669 108.800 -0.815 0.000 2.539 269 G HA2 0.361 4.322 3.960 0.001 0.000 0.258 269 G HA3 0.361 4.322 3.960 0.001 0.000 0.258 269 G C 0.417 175.071 174.900 -0.410 0.000 1.202 269 G CA -0.187 44.291 45.100 -1.035 0.000 0.851 269 G HN 0.682 nan 8.290 nan 0.000 0.556 270 E N -1.172 118.875 120.200 -0.256 0.000 2.166 270 E HA 0.045 4.396 4.350 0.001 0.000 0.192 270 E C 1.032 177.662 176.600 0.049 0.000 0.967 270 E CA 0.478 56.848 56.400 -0.050 0.000 0.840 270 E CB 0.307 30.025 29.700 0.030 0.000 0.795 270 E HN 0.518 nan 8.360 nan 0.000 0.470 271 Q N 1.212 121.095 119.800 0.139 0.000 2.327 271 Q HA 0.282 4.623 4.340 0.001 0.000 0.270 271 Q C -0.610 175.435 176.000 0.075 0.000 1.022 271 Q CA -0.622 55.232 55.803 0.085 0.000 0.773 271 Q CB 0.993 29.742 28.738 0.019 0.000 1.251 271 Q HN 0.152 nan 8.270 nan 0.000 0.457 272 M N 1.660 121.279 119.600 0.031 0.000 2.240 272 M HA 0.403 4.884 4.480 0.001 0.000 0.317 272 M C 0.735 177.072 176.300 0.063 0.000 1.087 272 M CA 0.937 56.261 55.300 0.040 0.000 1.176 272 M CB 0.238 32.846 32.600 0.014 0.000 1.439 272 M HN 0.815 nan 8.290 nan 0.000 0.452 273 A N 0.519 123.394 122.820 0.091 0.000 2.899 273 A HA -0.156 4.165 4.320 0.001 0.000 0.257 273 A C 1.307 178.989 177.584 0.164 0.000 1.335 273 A CA 1.120 53.230 52.037 0.120 0.000 0.924 273 A CB -2.385 16.651 19.000 0.060 0.000 1.105 273 A HN 1.478 nan 8.150 nan 0.000 0.765 274 A N -2.470 120.472 122.820 0.203 0.000 2.218 274 A HA 0.423 4.744 4.320 0.001 0.000 0.209 274 A C 0.869 178.656 177.584 0.339 0.000 1.168 274 A CA 1.115 53.306 52.037 0.257 0.000 0.804 274 A CB -0.159 19.044 19.000 0.339 0.000 0.834 274 A HN 1.751 nan 8.150 nan 0.000 0.482 275 Y N -2.310 118.063 120.300 0.123 0.000 3.477 275 Y HA -0.238 4.313 4.550 0.002 0.000 0.216 275 Y C 0.025 176.021 175.900 0.159 0.000 1.296 275 Y CA 0.013 58.172 58.100 0.098 0.000 1.535 275 Y CB -2.566 35.920 38.460 0.043 0.000 1.482 275 Y HN 0.464 nan 8.280 nan 0.000 0.597 276 F N 1.269 121.237 119.950 0.030 0.000 2.531 276 F HA 0.396 4.924 4.527 0.001 0.000 0.340 276 F C 1.139 176.897 175.800 -0.071 0.000 1.247 276 F CA 1.464 59.467 58.000 0.006 0.000 1.027 276 F CB -0.124 38.883 39.000 0.011 0.000 1.241 276 F HN 0.352 nan 8.300 nan 0.000 0.622 277 G N 4.636 113.262 108.800 -0.289 0.000 2.902 277 G HA2 -0.289 3.672 3.960 0.001 0.000 0.215 277 G HA3 -0.289 3.672 3.960 0.001 0.000 0.215 277 G C 0.721 175.549 174.900 -0.119 0.000 0.976 277 G CA -0.010 44.899 45.100 -0.319 0.000 0.794 277 G HN 0.613 nan 8.290 nan 0.000 0.557 278 F N 3.115 122.970 119.950 -0.159 0.000 2.184 278 F HA 0.122 4.650 4.527 0.002 0.000 0.301 278 F C 1.323 177.200 175.800 0.130 0.000 1.076 278 F CA 2.261 60.285 58.000 0.041 0.000 1.295 278 F CB 0.207 39.314 39.000 0.178 0.000 1.026 278 F HN 0.480 nan 8.300 nan 0.000 0.494 279 S N -0.314 115.437 115.700 0.085 0.000 2.541 279 S HA 0.664 5.135 4.470 0.001 0.000 0.271 279 S C -0.882 173.670 174.600 -0.079 0.000 1.133 279 S CA -0.214 57.966 58.200 -0.033 0.000 0.876 279 S CB 1.637 64.856 63.200 0.032 0.000 1.105 279 S HN 0.593 nan 8.310 nan 0.000 0.470 280 V N -1.571 118.290 119.914 -0.089 0.000 3.130 280 V HA 1.078 5.198 4.120 0.001 0.000 0.310 280 V C -0.509 175.554 176.094 -0.053 0.000 1.158 280 V CA -0.595 61.647 62.300 -0.096 0.000 1.029 280 V CB 1.065 32.822 31.823 -0.109 0.000 1.057 280 V HN 2.172 nan 8.190 nan 0.000 0.436 281 A N 1.390 124.199 122.820 -0.018 0.000 2.547 281 A HA 0.953 5.273 4.320 0.001 0.000 0.298 281 A C -0.596 177.025 177.584 0.063 0.000 1.062 281 A CA -0.057 51.965 52.037 -0.025 0.000 0.748 281 A CB 1.078 19.994 19.000 -0.139 0.000 1.288 281 A HN 2.566 nan 8.150 nan 0.000 0.396 282 A N 1.682 124.564 122.820 0.103 0.000 2.330 282 A HA 0.951 5.272 4.320 0.001 0.000 0.313 282 A C -0.191 177.472 177.584 0.132 0.000 1.124 282 A CA -0.265 51.917 52.037 0.243 0.000 0.774 282 A CB 1.042 20.270 19.000 0.381 0.000 1.198 282 A HN 1.287 nan 8.150 nan 0.000 0.465 283 T N 0.910 115.574 114.554 0.184 0.000 2.889 283 T HA 0.355 4.705 4.350 0.001 0.000 0.315 283 T C -1.540 173.316 174.700 0.261 0.000 1.291 283 T CA -0.531 61.642 62.100 0.122 0.000 1.028 283 T CB 1.680 70.518 68.868 -0.049 0.000 1.235 283 T HN 0.649 nan 8.240 nan 0.000 0.491 284 D N 1.211 121.734 120.400 0.205 0.000 2.441 284 D HA 0.294 4.934 4.640 0.001 0.000 0.221 284 D C 0.562 177.022 176.300 0.267 0.000 1.156 284 D CA -0.460 53.689 54.000 0.249 0.000 0.896 284 D CB 0.259 41.166 40.800 0.178 0.000 1.028 284 D HN 0.319 nan 8.370 nan 0.000 0.509 285 I N 3.384 124.162 120.570 0.348 0.000 3.564 285 I HA 0.102 4.273 4.170 0.001 0.000 0.294 285 I C 0.122 176.457 176.117 0.363 0.000 1.289 285 I CA 0.358 61.876 61.300 0.363 0.000 1.325 285 I CB -0.542 37.763 38.000 0.509 0.000 1.039 285 I HN 0.552 nan 8.210 nan 0.000 0.474 286 N N -1.353 117.573 118.700 0.378 0.000 2.628 286 N HA 0.231 4.971 4.740 0.001 0.000 0.299 286 N C 0.658 176.475 175.510 0.511 0.000 1.834 286 N CA -0.149 53.179 53.050 0.463 0.000 0.871 286 N CB 0.263 38.925 38.487 0.292 0.000 1.377 286 N HN 0.009 nan 8.380 nan 0.000 0.493 287 G N 2.520 111.544 108.800 0.372 0.000 2.242 287 G HA2 -0.283 3.678 3.960 0.001 0.000 0.265 287 G HA3 -0.283 3.678 3.960 0.001 0.000 0.265 287 G C 0.140 175.105 174.900 0.109 0.000 0.832 287 G CA 1.187 46.341 45.100 0.091 0.000 1.181 287 G HN 0.853 nan 8.290 nan 0.000 0.428 288 D N 0.071 120.555 120.400 0.140 0.000 2.651 288 D HA 0.086 4.727 4.640 0.001 0.000 0.280 288 D C 0.183 176.467 176.300 -0.026 0.000 1.496 288 D CA -0.101 53.974 54.000 0.124 0.000 0.792 288 D CB -0.191 40.769 40.800 0.267 0.000 1.144 288 D HN 0.273 nan 8.370 nan 0.000 0.470 289 D N 0.674 121.043 120.400 -0.051 0.000 2.980 289 D HA -0.248 4.393 4.640 0.001 0.000 0.218 289 D C -1.270 174.838 176.300 -0.320 0.000 1.225 289 D CA 1.052 54.960 54.000 -0.153 0.000 0.804 289 D CB -0.983 39.704 40.800 -0.189 0.000 0.906 289 D HN 0.484 nan 8.370 nan 0.000 0.396 290 Y N -0.959 119.394 120.300 0.088 0.000 2.330 290 Y HA 0.427 4.978 4.550 0.001 0.000 0.324 290 Y C 0.436 176.436 175.900 0.167 0.000 1.093 290 Y CA -1.040 57.126 58.100 0.109 0.000 1.103 290 Y CB 1.535 40.066 38.460 0.119 0.000 1.183 290 Y HN 0.226 nan 8.280 nan 0.000 0.433 291 A N 3.494 126.498 122.820 0.307 0.000 2.520 291 A HA 0.204 4.525 4.320 0.001 0.000 0.245 291 A C -0.465 177.467 177.584 0.581 0.000 1.072 291 A CA 0.053 52.278 52.037 0.312 0.000 0.761 291 A CB 0.027 19.037 19.000 0.017 0.000 1.004 291 A HN 0.655 nan 8.150 nan 0.000 0.499 292 D N 1.720 122.451 120.400 0.551 0.000 2.256 292 D HA 0.418 5.058 4.640 0.001 0.000 0.246 292 D C -0.524 176.114 176.300 0.564 0.000 1.042 292 D CA -0.221 54.106 54.000 0.545 0.000 0.841 292 D CB 1.952 43.016 40.800 0.441 0.000 1.223 292 D HN 0.218 nan 8.370 nan 0.000 0.470 293 V N 2.265 122.355 119.914 0.293 0.000 2.465 293 V HA 0.322 4.443 4.120 0.001 0.000 0.279 293 V C -0.393 175.691 176.094 -0.017 0.000 1.045 293 V CA -0.376 61.977 62.300 0.088 0.000 0.938 293 V CB 0.256 31.824 31.823 -0.425 0.000 0.986 293 V HN 0.326 nan 8.190 nan 0.000 0.467 294 F N 4.779 124.635 119.950 -0.157 0.000 2.507 294 F HA 0.730 5.257 4.527 0.001 0.000 0.325 294 F C -0.038 175.616 175.800 -0.243 0.000 1.116 294 F CA -1.041 56.863 58.000 -0.160 0.000 0.930 294 F CB 1.626 40.566 39.000 -0.100 0.000 1.146 294 F HN 0.222 nan 8.300 nan 0.000 0.447 295 I N 1.842 122.342 120.570 -0.116 0.000 2.569 295 I HA 0.605 4.776 4.170 0.001 0.000 0.290 295 I C -0.042 175.965 176.117 -0.183 0.000 1.088 295 I CA -0.839 60.295 61.300 -0.277 0.000 1.047 295 I CB 2.281 39.918 38.000 -0.606 0.000 1.237 295 I HN 0.703 nan 8.210 nan 0.000 0.421 296 G N 3.780 112.495 108.800 -0.142 0.000 2.372 296 G HA2 0.689 4.650 3.960 0.001 0.000 0.323 296 G HA3 0.689 4.650 3.960 0.001 0.000 0.323 296 G C -0.641 174.292 174.900 0.055 0.000 1.152 296 G CA -0.528 44.562 45.100 -0.015 0.000 0.906 296 G HN 0.766 nan 8.290 nan 0.000 0.460 297 A N 4.669 127.575 122.820 0.143 0.000 3.159 297 A HA 0.639 4.960 4.320 0.001 0.000 0.330 297 A C -1.130 176.595 177.584 0.235 0.000 1.032 297 A CA -1.189 50.991 52.037 0.239 0.000 0.841 297 A CB 1.212 20.420 19.000 0.347 0.000 1.093 297 A HN 0.468 nan 8.150 nan 0.000 0.478 298 P HA -0.150 nan 4.420 nan 0.000 0.221 298 P C 0.463 177.862 177.300 0.165 0.000 1.141 298 P CA 1.001 64.181 63.100 0.135 0.000 0.794 298 P CB 0.269 31.931 31.700 -0.063 0.000 0.764 299 L N -1.952 119.376 121.223 0.175 0.000 2.818 299 L HA 0.327 4.667 4.340 0.001 0.000 0.243 299 L C 0.602 177.599 176.870 0.212 0.000 1.185 299 L CA -0.833 54.101 54.840 0.156 0.000 0.988 299 L CB -1.194 40.917 42.059 0.086 0.000 1.292 299 L HN -0.156 nan 8.230 nan 0.000 0.519 300 F N 1.297 121.307 119.950 0.101 0.000 2.529 300 F HA 0.243 4.771 4.527 0.001 0.000 0.365 300 F C 0.582 176.415 175.800 0.057 0.000 1.102 300 F CA 0.047 58.094 58.000 0.078 0.000 1.271 300 F CB 0.450 39.499 39.000 0.082 0.000 1.120 300 F HN -0.068 nan 8.300 nan 0.000 0.579 301 M N 6.949 126.240 119.600 -0.516 0.000 2.055 301 M HA 0.186 4.667 4.480 0.001 0.000 0.347 301 M C -0.766 175.175 176.300 -0.599 0.000 1.123 301 M CA -0.856 54.212 55.300 -0.385 0.000 1.035 301 M CB 0.749 33.194 32.600 -0.257 0.000 1.484 301 M HN 0.549 nan 8.290 nan 0.000 0.428 302 D N 3.326 123.579 120.400 -0.245 0.000 2.340 302 D HA 0.284 4.925 4.640 0.001 0.000 0.251 302 D C -0.354 175.891 176.300 -0.092 0.000 1.080 302 D CA -0.573 53.362 54.000 -0.108 0.000 0.971 302 D CB 1.073 41.935 40.800 0.103 0.000 1.137 302 D HN 0.309 nan 8.370 nan 0.000 0.475 303 R N 0.639 121.106 120.500 -0.054 0.000 2.210 303 R HA 0.452 4.793 4.340 0.001 0.000 0.338 303 R C 0.549 176.831 176.300 -0.030 0.000 1.062 303 R CA -0.435 55.637 56.100 -0.047 0.000 0.902 303 R CB 0.729 31.008 30.300 -0.036 0.000 1.050 303 R HN 0.615 nan 8.270 nan 0.000 0.461 304 G N 0.672 109.451 108.800 -0.036 0.000 2.634 304 G HA2 -0.036 3.925 3.960 0.001 0.000 0.255 304 G HA3 -0.036 3.925 3.960 0.001 0.000 0.255 304 G C 1.081 175.968 174.900 -0.022 0.000 1.205 304 G CA -0.322 44.761 45.100 -0.029 0.000 0.884 304 G HN 0.563 nan 8.290 nan 0.000 0.549 305 S N 0.142 115.833 115.700 -0.016 0.000 2.393 305 S HA -0.305 4.166 4.470 0.001 0.000 0.235 305 S C 2.026 176.617 174.600 -0.015 0.000 1.061 305 S CA 2.803 60.996 58.200 -0.012 0.000 1.129 305 S CB -0.719 62.476 63.200 -0.009 0.000 1.011 305 S HN 0.769 nan 8.310 nan 0.000 0.436 306 D N -0.609 119.780 120.400 -0.018 0.000 2.384 306 D HA 0.220 4.861 4.640 0.001 0.000 0.222 306 D C 1.403 177.690 176.300 -0.021 0.000 0.976 306 D CA 0.914 54.902 54.000 -0.019 0.000 0.915 306 D CB -0.707 40.081 40.800 -0.021 0.000 0.896 306 D HN 0.640 nan 8.370 nan 0.000 0.523 307 G N -0.323 108.462 108.800 -0.023 0.000 2.195 307 G HA2 -0.311 3.650 3.960 0.001 0.000 0.246 307 G HA3 -0.311 3.650 3.960 0.001 0.000 0.246 307 G C 0.247 175.127 174.900 -0.033 0.000 0.984 307 G CA -0.031 45.053 45.100 -0.026 0.000 0.633 307 G HN 0.400 nan 8.290 nan 0.000 0.525 308 K N 0.346 120.725 120.400 -0.036 0.000 2.237 308 K HA 0.546 4.867 4.320 0.001 0.000 0.270 308 K C 0.820 177.389 176.600 -0.053 0.000 1.015 308 K CA -0.540 55.722 56.287 -0.042 0.000 0.949 308 K CB 0.791 33.267 32.500 -0.040 0.000 0.976 308 K HN 0.203 nan 8.250 nan 0.000 0.472 309 L N 3.636 124.824 121.223 -0.059 0.000 2.416 309 L HA 0.022 4.362 4.340 0.001 0.000 0.272 309 L C 0.191 177.021 176.870 -0.067 0.000 1.161 309 L CA 0.307 55.100 54.840 -0.078 0.000 0.845 309 L CB 0.355 42.365 42.059 -0.082 0.000 1.119 309 L HN 0.640 nan 8.230 nan 0.000 0.464 310 Q N 3.010 122.766 119.800 -0.073 0.000 2.271 310 Q HA 0.310 4.650 4.340 0.001 0.000 0.268 310 Q C -1.031 174.962 176.000 -0.013 0.000 1.021 310 Q CA -0.780 54.992 55.803 -0.052 0.000 0.802 310 Q CB 2.080 30.774 28.738 -0.073 0.000 1.282 310 Q HN 0.467 nan 8.270 nan 0.000 0.431 311 E N 2.824 123.070 120.200 0.076 0.000 2.220 311 E HA 0.116 4.467 4.350 0.001 0.000 0.272 311 E C 0.128 176.841 176.600 0.188 0.000 1.099 311 E CA 0.209 56.707 56.400 0.163 0.000 0.907 311 E CB 0.976 30.862 29.700 0.311 0.000 1.022 311 E HN 0.667 nan 8.360 nan 0.000 0.428 312 V N 1.079 121.080 119.914 0.145 0.000 3.359 312 V HA 0.428 4.548 4.120 0.001 0.000 0.270 312 V C 0.559 176.739 176.094 0.143 0.000 1.583 312 V CA 0.463 62.836 62.300 0.122 0.000 1.019 312 V CB -0.023 31.806 31.823 0.011 0.000 0.831 312 V HN 0.804 nan 8.190 nan 0.000 0.426 313 G N 0.395 109.326 108.800 0.218 0.000 2.699 313 G HA2 0.128 4.089 3.960 0.001 0.000 0.686 313 G HA3 0.128 4.089 3.960 0.001 0.000 0.686 313 G C -0.933 174.108 174.900 0.235 0.000 1.301 313 G CA 0.110 45.384 45.100 0.291 0.000 0.816 313 G HN 1.073 nan 8.290 nan 0.000 0.595 314 Q N -1.103 118.851 119.800 0.256 0.000 2.386 314 Q HA 0.594 4.934 4.340 0.001 0.000 0.274 314 Q C -1.622 174.460 176.000 0.137 0.000 1.011 314 Q CA -0.939 54.909 55.803 0.075 0.000 0.867 314 Q CB 2.536 31.026 28.738 -0.413 0.000 1.409 314 Q HN 1.037 nan 8.270 nan 0.000 0.395 315 V N 2.453 122.459 119.914 0.153 0.000 2.378 315 V HA 0.329 4.449 4.120 0.001 0.000 0.288 315 V C -0.218 175.859 176.094 -0.029 0.000 1.016 315 V CA -0.469 61.864 62.300 0.055 0.000 0.840 315 V CB 1.539 33.375 31.823 0.023 0.000 0.994 315 V HN 0.744 nan 8.190 nan 0.000 0.431 316 S N 4.926 120.609 115.700 -0.028 0.000 2.422 316 S HA 0.341 4.811 4.470 0.001 0.000 0.283 316 S C -0.250 174.256 174.600 -0.157 0.000 1.163 316 S CA -0.474 57.706 58.200 -0.035 0.000 1.054 316 S CB 0.420 63.708 63.200 0.147 0.000 0.967 316 S HN 0.514 nan 8.310 nan 0.000 0.499 317 V N 6.296 126.074 119.914 -0.226 0.000 2.247 317 V HA 0.264 4.385 4.120 0.001 0.000 0.262 317 V C 0.085 175.988 176.094 -0.318 0.000 1.096 317 V CA -0.648 61.373 62.300 -0.465 0.000 0.895 317 V CB 0.359 31.892 31.823 -0.484 0.000 1.141 317 V HN 0.878 nan 8.190 nan 0.000 0.478 318 S N 6.070 121.610 115.700 -0.267 0.000 2.422 318 S HA 0.523 4.994 4.470 0.001 0.000 0.283 318 S C -0.100 174.554 174.600 0.091 0.000 1.163 318 S CA -0.399 57.751 58.200 -0.083 0.000 1.054 318 S CB 0.456 63.551 63.200 -0.176 0.000 0.967 318 S HN 0.503 nan 8.310 nan 0.000 0.499 319 L N 3.380 124.720 121.223 0.195 0.000 2.276 319 L HA 0.350 4.690 4.340 0.001 0.000 0.286 319 L C 0.652 177.730 176.870 0.348 0.000 1.061 319 L CA -0.398 54.581 54.840 0.231 0.000 0.807 319 L CB 0.877 43.002 42.059 0.111 0.000 1.177 319 L HN 0.604 nan 8.230 nan 0.000 0.429 320 Q N 3.526 123.483 119.800 0.261 0.000 2.307 320 Q HA 0.194 4.534 4.340 0.001 0.000 0.259 320 Q C -0.222 175.560 176.000 -0.364 0.000 0.998 320 Q CA -0.605 55.091 55.803 -0.177 0.000 0.923 320 Q CB 0.847 29.598 28.738 0.021 0.000 1.196 320 Q HN 0.451 nan 8.270 nan 0.000 0.416 321 R N 1.743 121.956 120.500 -0.480 0.000 2.747 321 R HA 0.215 4.556 4.340 0.001 0.000 0.278 321 R C 0.757 176.710 176.300 -0.578 0.000 1.153 321 R CA 0.893 56.752 56.100 -0.403 0.000 1.206 321 R CB 0.308 30.425 30.300 -0.305 0.000 1.161 321 R HN 0.809 nan 8.270 nan 0.000 0.589 322 A N -0.216 122.349 122.820 -0.425 0.000 2.021 322 A HA -0.058 4.263 4.320 0.001 0.000 0.216 322 A C 1.636 179.100 177.584 -0.200 0.000 1.163 322 A CA 1.293 53.114 52.037 -0.361 0.000 0.676 322 A CB -0.552 18.387 19.000 -0.101 0.000 0.818 322 A HN 0.706 nan 8.150 nan 0.000 0.453 323 S N -1.947 113.640 115.700 -0.189 0.000 2.522 323 S HA 0.347 4.817 4.470 0.001 0.000 0.227 323 S C 1.441 175.948 174.600 -0.156 0.000 0.986 323 S CA 1.099 59.221 58.200 -0.131 0.000 0.929 323 S CB -0.154 62.976 63.200 -0.117 0.000 0.769 323 S HN 1.788 nan 8.310 nan 0.000 0.529 324 G N 0.590 109.227 108.800 -0.271 0.000 2.179 324 G HA2 -0.158 3.803 3.960 0.001 0.000 0.220 324 G HA3 -0.158 3.803 3.960 0.001 0.000 0.220 324 G C -0.383 174.131 174.900 -0.642 0.000 0.990 324 G CA 0.045 44.948 45.100 -0.328 0.000 0.646 324 G HN 0.528 nan 8.290 nan 0.000 0.517 325 D N -0.504 119.573 120.400 -0.538 0.000 2.432 325 D HA 0.749 5.389 4.640 0.001 0.000 0.258 325 D C 0.059 175.960 176.300 -0.665 0.000 1.146 325 D CA 0.046 53.753 54.000 -0.488 0.000 1.015 325 D CB 0.740 41.391 40.800 -0.249 0.000 1.107 325 D HN 0.083 nan 8.370 nan 0.000 0.529 326 F N -0.117 119.705 119.950 -0.213 0.000 2.577 326 F HA 0.237 4.765 4.527 0.001 0.000 0.318 326 F C 0.542 176.279 175.800 -0.106 0.000 1.065 326 F CA -0.777 57.134 58.000 -0.148 0.000 0.929 326 F CB 1.798 40.711 39.000 -0.146 0.000 1.237 326 F HN -0.066 nan 8.300 nan 0.000 0.468 327 Q N 2.601 122.491 119.800 0.150 0.000 2.788 327 Q HA 0.233 4.574 4.340 0.001 0.000 0.285 327 Q C -1.182 174.859 176.000 0.068 0.000 1.063 327 Q CA -0.247 55.594 55.803 0.063 0.000 0.958 327 Q CB 0.870 29.627 28.738 0.031 0.000 1.211 327 Q HN 0.741 nan 8.270 nan 0.000 0.478 328 T N 2.046 116.637 114.554 0.062 0.000 2.814 328 T HA 0.258 4.608 4.350 0.001 0.000 0.297 328 T C 0.664 175.356 174.700 -0.013 0.000 0.956 328 T CA 0.036 62.148 62.100 0.020 0.000 1.123 328 T CB 0.966 69.845 68.868 0.020 0.000 0.902 328 T HN 0.543 nan 8.240 nan 0.000 0.528 329 T N 1.048 115.578 114.554 -0.040 0.000 2.819 329 T HA 0.810 5.160 4.350 0.001 0.000 0.271 329 T C -0.686 173.976 174.700 -0.063 0.000 0.986 329 T CA -0.942 61.132 62.100 -0.044 0.000 0.989 329 T CB 1.313 70.157 68.868 -0.039 0.000 1.396 329 T HN 0.362 nan 8.240 nan 0.000 0.597 330 K N -0.610 119.753 120.400 -0.062 0.000 2.508 330 K HA 0.747 5.068 4.320 0.001 0.000 0.260 330 K C -2.015 174.543 176.600 -0.070 0.000 0.949 330 K CA -0.723 55.514 56.287 -0.084 0.000 0.834 330 K CB 2.091 34.527 32.500 -0.107 0.000 1.365 330 K HN 0.590 nan 8.250 nan 0.000 0.437 331 L N 2.273 123.451 121.223 -0.076 0.000 2.541 331 L HA 0.518 4.858 4.340 0.001 0.000 0.266 331 L C -1.711 175.080 176.870 -0.131 0.000 0.966 331 L CA -0.222 54.581 54.840 -0.061 0.000 0.871 331 L CB 1.396 43.447 42.059 -0.013 0.000 1.232 331 L HN 0.637 nan 8.230 nan 0.000 0.408 332 N N 2.081 120.612 118.700 -0.281 0.000 2.493 332 N HA 0.707 5.448 4.740 0.001 0.000 0.275 332 N C 0.358 175.198 175.510 -1.117 0.000 1.186 332 N CA 0.240 53.015 53.050 -0.459 0.000 0.978 332 N CB 1.053 39.391 38.487 -0.248 0.000 1.184 332 N HN 0.785 nan 8.380 nan 0.000 0.487 333 G N -0.608 107.512 108.800 -1.134 0.000 2.621 333 G HA2 0.248 4.209 3.960 0.001 0.000 0.271 333 G HA3 0.248 4.209 3.960 0.001 0.000 0.271 333 G C -0.322 173.894 174.900 -1.140 0.000 1.236 333 G CA -0.203 44.011 45.100 -1.477 0.000 0.958 333 G HN 0.547 nan 8.290 nan 0.000 0.512 334 F N -0.799 119.000 119.950 -0.252 0.000 2.602 334 F HA 0.304 4.831 4.527 0.001 0.000 0.284 334 F C 1.226 177.037 175.800 0.018 0.000 1.111 334 F CA 0.095 58.044 58.000 -0.085 0.000 1.405 334 F CB 0.339 39.316 39.000 -0.038 0.000 1.121 334 F HN 0.294 nan 8.300 nan 0.000 0.603 335 E N -0.093 120.248 120.200 0.234 0.000 2.249 335 E HA 0.498 4.848 4.350 0.001 0.000 0.263 335 E C -1.013 175.668 176.600 0.135 0.000 0.950 335 E CA -0.971 55.537 56.400 0.180 0.000 0.827 335 E CB 2.679 32.513 29.700 0.223 0.000 1.220 335 E HN -0.274 nan 8.360 nan 0.000 0.411 336 V N 2.994 122.950 119.914 0.071 0.000 2.546 336 V HA 0.098 4.218 4.120 0.001 0.000 0.284 336 V C 0.138 176.350 176.094 0.197 0.000 1.050 336 V CA 0.187 62.503 62.300 0.026 0.000 0.981 336 V CB 0.183 31.869 31.823 -0.229 0.000 0.990 336 V HN 0.744 nan 8.190 nan 0.000 0.474 337 F N 0.661 120.666 119.950 0.091 0.000 2.427 337 F HA -0.215 4.312 4.527 0.001 0.000 0.567 337 F C 1.174 177.075 175.800 0.168 0.000 0.511 337 F CA 0.590 58.646 58.000 0.093 0.000 1.311 337 F CB -1.999 37.035 39.000 0.056 0.000 2.049 337 F HN 0.610 nan 8.300 nan 0.000 0.259 338 A N 1.804 124.869 122.820 0.409 0.000 2.409 338 A HA 0.558 4.878 4.320 0.001 0.000 0.267 338 A C 0.748 178.579 177.584 0.412 0.000 1.127 338 A CA -0.190 52.105 52.037 0.430 0.000 0.795 338 A CB 0.272 19.508 19.000 0.392 0.000 1.061 338 A HN 0.296 nan 8.150 nan 0.000 0.502 339 R N 0.779 121.546 120.500 0.445 0.000 2.615 339 R HA 0.407 4.747 4.340 0.001 0.000 0.270 339 R C 0.238 176.766 176.300 0.380 0.000 1.081 339 R CA 0.129 56.431 56.100 0.337 0.000 1.154 339 R CB 0.398 30.855 30.300 0.262 0.000 1.063 339 R HN 0.841 nan 8.270 nan 0.000 0.519 340 F N -0.566 119.472 119.950 0.148 0.000 2.463 340 F HA 0.326 4.854 4.527 0.001 0.000 0.271 340 F C 1.573 177.452 175.800 0.132 0.000 0.888 340 F CA 0.428 58.527 58.000 0.165 0.000 1.149 340 F CB 0.017 39.090 39.000 0.122 0.000 1.071 340 F HN 0.570 nan 8.300 nan 0.000 0.802 341 G N 0.119 108.893 108.800 -0.043 0.000 3.332 341 G HA2 0.034 3.994 3.960 0.001 0.000 0.242 341 G HA3 0.034 3.994 3.960 0.001 0.000 0.242 341 G C 1.189 176.084 174.900 -0.009 0.000 1.276 341 G CA 0.597 45.592 45.100 -0.175 0.000 0.988 341 G HN 0.364 nan 8.290 nan 0.000 0.517 342 S N -0.127 115.570 115.700 -0.005 0.000 2.442 342 S HA 0.269 4.740 4.470 0.001 0.000 0.236 342 S C 1.186 175.861 174.600 0.126 0.000 1.007 342 S CA 1.062 59.274 58.200 0.021 0.000 0.965 342 S CB -0.007 63.144 63.200 -0.081 0.000 0.773 342 S HN 0.780 nan 8.310 nan 0.000 0.504 343 A N 0.716 123.532 122.820 -0.006 0.000 2.579 343 A HA 0.511 4.831 4.320 0.001 0.000 0.288 343 A C -0.924 176.613 177.584 -0.078 0.000 1.079 343 A CA -0.629 51.378 52.037 -0.049 0.000 0.889 343 A CB 0.427 19.373 19.000 -0.090 0.000 1.439 343 A HN 0.282 nan 8.150 nan 0.000 0.399 344 I N 2.186 122.704 120.570 -0.086 0.000 2.304 344 I HA 0.541 4.711 4.170 0.001 0.000 0.291 344 I C 0.677 176.732 176.117 -0.104 0.000 1.018 344 I CA -0.205 61.030 61.300 -0.108 0.000 1.260 344 I CB 1.828 39.760 38.000 -0.114 0.000 1.390 344 I HN 0.686 nan 8.210 nan 0.000 0.475 345 A N 9.223 131.996 122.820 -0.078 0.000 2.536 345 A HA 0.562 4.883 4.320 0.001 0.000 0.329 345 A C -2.526 175.028 177.584 -0.051 0.000 1.321 345 A CA -1.550 50.452 52.037 -0.058 0.000 0.804 345 A CB 0.130 19.115 19.000 -0.026 0.000 1.126 345 A HN 0.402 nan 8.150 nan 0.000 0.480 346 P HA 0.153 nan 4.420 nan 0.000 0.262 346 P C -0.435 176.860 177.300 -0.009 0.000 1.199 346 P CA 0.520 63.558 63.100 -0.103 0.000 0.763 346 P CB 0.623 32.222 31.700 -0.167 0.000 0.790 347 L N 2.664 123.904 121.223 0.028 0.000 2.448 347 L HA 0.484 4.825 4.340 0.001 0.000 0.258 347 L C 2.200 179.102 176.870 0.053 0.000 1.104 347 L CA -0.274 54.604 54.840 0.062 0.000 0.800 347 L CB -0.137 41.973 42.059 0.085 0.000 1.241 347 L HN 0.359 nan 8.230 nan 0.000 0.472 348 G N -0.602 108.226 108.800 0.048 0.000 2.770 348 G HA2 -0.142 3.819 3.960 0.001 0.000 0.212 348 G HA3 -0.142 3.819 3.960 0.001 0.000 0.212 348 G C 0.016 174.955 174.900 0.064 0.000 1.357 348 G CA 1.002 46.123 45.100 0.035 0.000 0.837 348 G HN 0.673 nan 8.290 nan 0.000 0.610 349 D N -0.877 119.570 120.400 0.079 0.000 3.118 349 D HA 0.159 4.799 4.640 0.001 0.000 0.259 349 D C 1.729 178.107 176.300 0.130 0.000 1.292 349 D CA -0.333 53.736 54.000 0.115 0.000 0.784 349 D CB -0.210 40.650 40.800 0.100 0.000 1.413 349 D HN 0.116 nan 8.370 nan 0.000 0.583 350 L N 0.646 121.931 121.223 0.103 0.000 2.064 350 L HA -0.342 3.999 4.340 0.001 0.000 0.234 350 L C 1.973 178.860 176.870 0.029 0.000 1.103 350 L CA 2.567 57.441 54.840 0.058 0.000 0.824 350 L CB -0.126 41.933 42.059 -0.000 0.000 0.919 350 L HN 0.414 nan 8.230 nan 0.000 0.447 351 D N -1.106 119.301 120.400 0.011 0.000 2.234 351 D HA -0.164 4.476 4.640 0.001 0.000 0.205 351 D C 0.767 177.191 176.300 0.207 0.000 0.962 351 D CA 0.268 54.258 54.000 -0.016 0.000 0.855 351 D CB -0.289 40.581 40.800 0.116 0.000 0.951 351 D HN 0.413 nan 8.370 nan 0.000 0.500 352 Q N 0.497 120.441 119.800 0.240 0.000 2.397 352 Q HA -0.131 4.210 4.340 0.001 0.000 0.352 352 Q C -1.053 175.070 176.000 0.205 0.000 1.363 352 Q CA 0.836 56.775 55.803 0.226 0.000 0.937 352 Q CB -0.911 27.985 28.738 0.264 0.000 1.084 352 Q HN 0.619 nan 8.270 nan 0.000 0.314 353 D N 0.687 121.201 120.400 0.190 0.000 2.563 353 D HA 0.243 4.884 4.640 0.001 0.000 0.256 353 D C 0.918 177.284 176.300 0.111 0.000 1.400 353 D CA 0.433 54.553 54.000 0.200 0.000 0.800 353 D CB 0.232 41.211 40.800 0.298 0.000 1.145 353 D HN 0.861 nan 8.370 nan 0.000 0.501 354 G N 0.133 108.932 108.800 -0.001 0.000 2.132 354 G HA2 -0.204 3.757 3.960 0.001 0.000 0.234 354 G HA3 -0.204 3.757 3.960 0.001 0.000 0.234 354 G C -0.438 174.158 174.900 -0.507 0.000 0.989 354 G CA 0.024 44.979 45.100 -0.242 0.000 0.676 354 G HN 0.288 nan 8.290 nan 0.000 0.522 355 F N 0.469 120.481 119.950 0.105 0.000 2.561 355 F HA 0.509 5.037 4.527 0.001 0.000 0.313 355 F C 0.110 175.981 175.800 0.119 0.000 1.126 355 F CA -1.431 56.640 58.000 0.118 0.000 0.918 355 F CB 1.474 40.556 39.000 0.137 0.000 1.199 355 F HN -0.094 nan 8.300 nan 0.000 0.444 356 N N 1.858 120.738 118.700 0.301 0.000 2.467 356 N HA 0.243 4.984 4.740 0.001 0.000 0.262 356 N C -0.718 174.926 175.510 0.224 0.000 1.234 356 N CA -0.129 53.046 53.050 0.209 0.000 0.952 356 N CB 0.835 39.414 38.487 0.154 0.000 1.158 356 N HN 0.559 nan 8.380 nan 0.000 0.463 357 D N -0.175 120.327 120.400 0.170 0.000 2.616 357 D HA 0.701 5.342 4.640 0.001 0.000 0.260 357 D C -0.303 176.071 176.300 0.123 0.000 1.158 357 D CA -0.356 53.749 54.000 0.175 0.000 1.085 357 D CB 1.530 42.425 40.800 0.158 0.000 1.222 357 D HN 0.373 nan 8.370 nan 0.000 0.626 358 I N -0.977 119.681 120.570 0.148 0.000 2.763 358 I HA 0.501 4.671 4.170 0.001 0.000 0.292 358 I C -2.035 174.192 176.117 0.183 0.000 1.610 358 I CA -0.428 60.918 61.300 0.076 0.000 1.002 358 I CB 1.528 39.494 38.000 -0.057 0.000 1.416 358 I HN 0.458 nan 8.210 nan 0.000 0.479 359 A N 8.176 131.069 122.820 0.122 0.000 2.409 359 A HA 0.695 5.015 4.320 0.001 0.000 0.300 359 A C -0.693 176.977 177.584 0.142 0.000 1.273 359 A CA -0.470 51.685 52.037 0.198 0.000 0.774 359 A CB 0.319 19.408 19.000 0.149 0.000 1.144 359 A HN 0.541 nan 8.150 nan 0.000 0.472 360 I N 1.650 122.350 120.570 0.217 0.000 2.638 360 I HA 0.464 4.634 4.170 0.001 0.000 0.286 360 I C 0.727 176.934 176.117 0.149 0.000 1.088 360 I CA -0.066 61.242 61.300 0.013 0.000 1.397 360 I CB 1.629 39.471 38.000 -0.262 0.000 1.414 360 I HN 0.666 nan 8.210 nan 0.000 0.566 361 A N 4.497 127.329 122.820 0.020 0.000 2.393 361 A HA 0.783 5.103 4.320 0.001 0.000 0.306 361 A C -0.542 177.156 177.584 0.190 0.000 1.050 361 A CA -0.580 51.542 52.037 0.142 0.000 0.724 361 A CB 1.573 20.603 19.000 0.050 0.000 1.248 361 A HN 0.798 nan 8.150 nan 0.000 0.424 362 A N 3.943 126.970 122.820 0.345 0.000 2.654 362 A HA 0.674 4.995 4.320 0.001 0.000 0.345 362 A C -2.131 175.579 177.584 0.210 0.000 1.368 362 A CA -1.485 50.780 52.037 0.381 0.000 0.895 362 A CB 0.213 19.598 19.000 0.643 0.000 1.143 362 A HN 0.449 nan 8.150 nan 0.000 0.490 363 P HA -0.132 nan 4.420 nan 0.000 0.219 363 P C 0.044 177.147 177.300 -0.329 0.000 1.146 363 P CA 1.545 64.489 63.100 -0.259 0.000 0.808 363 P CB -0.058 31.245 31.700 -0.661 0.000 0.779 364 Y N -1.883 118.552 120.300 0.225 0.000 2.720 364 Y HA 0.441 4.992 4.550 0.001 0.000 0.268 364 Y C 1.646 177.660 175.900 0.190 0.000 1.142 364 Y CA -0.924 57.288 58.100 0.185 0.000 1.193 364 Y CB 0.016 38.572 38.460 0.160 0.000 1.176 364 Y HN -0.130 nan 8.280 nan 0.000 0.542 365 G N 0.008 108.984 108.800 0.292 0.000 2.582 365 G HA2 0.493 4.454 3.960 0.001 0.000 0.232 365 G HA3 0.493 4.454 3.960 0.001 0.000 0.232 365 G C 0.617 175.617 174.900 0.166 0.000 1.458 365 G CA 0.047 45.299 45.100 0.253 0.000 1.062 365 G HN 0.546 nan 8.290 nan 0.000 0.566 366 G N -0.580 108.293 108.800 0.121 0.000 2.668 366 G HA2 -0.033 3.928 3.960 0.001 0.000 0.266 366 G HA3 -0.033 3.928 3.960 0.001 0.000 0.266 366 G C 0.223 175.160 174.900 0.061 0.000 1.328 366 G CA 0.450 45.584 45.100 0.056 0.000 0.911 366 G HN 1.184 nan 8.290 nan 0.000 0.567 367 E N 1.208 121.424 120.200 0.026 0.000 2.283 367 E HA 0.358 4.708 4.350 0.001 0.000 0.278 367 E C 0.078 176.700 176.600 0.036 0.000 1.027 367 E CA 0.114 56.531 56.400 0.029 0.000 0.843 367 E CB 0.782 30.485 29.700 0.005 0.000 1.062 367 E HN 0.690 nan 8.360 nan 0.000 0.401 368 D N 2.745 123.177 120.400 0.053 0.000 2.746 368 D HA -0.191 4.450 4.640 0.001 0.000 0.236 368 D C -0.571 175.783 176.300 0.091 0.000 1.129 368 D CA 1.007 55.044 54.000 0.062 0.000 0.691 368 D CB -0.782 40.042 40.800 0.041 0.000 1.077 368 D HN 0.741 nan 8.370 nan 0.000 0.432 369 K N -0.990 119.485 120.400 0.125 0.000 3.078 369 K HA -0.274 4.047 4.320 0.001 0.000 0.261 369 K C 0.875 177.585 176.600 0.182 0.000 0.947 369 K CA 0.956 57.357 56.287 0.191 0.000 0.702 369 K CB -0.823 31.813 32.500 0.227 0.000 1.318 369 K HN 0.453 nan 8.250 nan 0.000 0.473 370 K N 0.451 120.915 120.400 0.108 0.000 2.487 370 K HA 0.031 4.351 4.320 0.001 0.000 0.192 370 K C 0.906 177.537 176.600 0.051 0.000 1.027 370 K CA 0.466 56.791 56.287 0.063 0.000 1.054 370 K CB 0.383 32.864 32.500 -0.031 0.000 0.824 370 K HN 0.557 nan 8.250 nan 0.000 0.510 371 G N 2.703 111.573 108.800 0.116 0.000 2.999 371 G HA2 -0.220 3.741 3.960 0.001 0.000 0.686 371 G HA3 -0.220 3.741 3.960 0.001 0.000 0.686 371 G C -0.324 174.652 174.900 0.128 0.000 1.551 371 G CA -0.156 45.047 45.100 0.172 0.000 1.126 371 G HN 0.245 nan 8.290 nan 0.000 0.603 372 I N -1.127 119.530 120.570 0.145 0.000 2.892 372 I HA 0.882 5.052 4.170 0.001 0.000 0.306 372 I C -0.277 175.858 176.117 0.031 0.000 1.078 372 I CA -1.588 59.719 61.300 0.012 0.000 1.032 372 I CB 1.595 39.439 38.000 -0.260 0.000 1.229 372 I HN 0.662 nan 8.210 nan 0.000 0.435 373 V N 4.212 124.123 119.914 -0.004 0.000 2.487 373 V HA 0.441 4.562 4.120 0.001 0.000 0.298 373 V C -1.154 174.888 176.094 -0.086 0.000 1.028 373 V CA -0.448 61.875 62.300 0.038 0.000 0.860 373 V CB 1.385 33.304 31.823 0.160 0.000 0.991 373 V HN 0.627 nan 8.190 nan 0.000 0.427 374 Y N 4.792 125.240 120.300 0.248 0.000 2.331 374 Y HA 0.653 5.203 4.550 0.001 0.000 0.338 374 Y C 0.416 176.438 175.900 0.203 0.000 0.992 374 Y CA -0.939 57.269 58.100 0.180 0.000 1.121 374 Y CB 1.441 40.106 38.460 0.342 0.000 1.184 374 Y HN 0.674 nan 8.280 nan 0.000 0.469 375 I N 0.716 121.384 120.570 0.164 0.000 2.297 375 I HA 0.507 4.677 4.170 0.001 0.000 0.291 375 I C -1.527 174.671 176.117 0.135 0.000 1.033 375 I CA -0.399 61.015 61.300 0.189 0.000 1.253 375 I CB 0.201 38.255 38.000 0.091 0.000 1.396 375 I HN 0.226 nan 8.210 nan 0.000 0.476 376 F N 4.905 124.971 119.950 0.193 0.000 2.411 376 F HA 0.465 4.992 4.527 0.001 0.000 0.352 376 F C 0.640 176.548 175.800 0.181 0.000 1.123 376 F CA -0.510 57.609 58.000 0.200 0.000 1.044 376 F CB 0.844 39.983 39.000 0.231 0.000 1.135 376 F HN 0.523 nan 8.300 nan 0.000 0.461 377 N N 1.078 119.968 118.700 0.316 0.000 2.483 377 N HA 0.446 5.187 4.740 0.001 0.000 0.269 377 N C 0.229 175.885 175.510 0.242 0.000 1.209 377 N CA -0.422 52.783 53.050 0.258 0.000 0.969 377 N CB 1.330 39.951 38.487 0.223 0.000 1.173 377 N HN 0.770 nan 8.380 nan 0.000 0.475 378 G N -0.121 108.810 108.800 0.219 0.000 2.488 378 G HA2 0.630 4.591 3.960 0.001 0.000 0.318 378 G HA3 0.630 4.591 3.960 0.001 0.000 0.318 378 G C -0.547 174.296 174.900 -0.095 0.000 1.188 378 G CA -0.469 44.723 45.100 0.154 0.000 0.944 378 G HN 0.704 nan 8.290 nan 0.000 0.495 379 R N -2.089 118.198 120.500 -0.355 0.000 2.728 379 R HA 0.403 4.744 4.340 0.001 0.000 0.274 379 R C 0.960 176.813 176.300 -0.746 0.000 1.030 379 R CA -0.020 55.586 56.100 -0.824 0.000 0.876 379 R CB 0.628 30.740 30.300 -0.313 0.000 1.259 379 R HN 0.658 nan 8.270 nan 0.000 0.468 380 S N -0.341 114.932 115.700 -0.711 0.000 2.402 380 S HA -0.252 4.219 4.470 0.001 0.000 0.233 380 S C 1.719 176.323 174.600 0.006 0.000 1.030 380 S CA 2.060 60.206 58.200 -0.089 0.000 1.003 380 S CB -0.826 62.426 63.200 0.087 0.000 0.813 380 S HN 0.810 nan 8.310 nan 0.000 0.477 381 T N -2.149 112.381 114.554 -0.040 0.000 2.857 381 T HA 0.502 4.853 4.350 0.001 0.000 0.266 381 T C 1.288 176.006 174.700 0.030 0.000 1.048 381 T CA 0.897 63.003 62.100 0.011 0.000 1.139 381 T CB -0.508 68.363 68.868 0.005 0.000 0.874 381 T HN 1.031 nan 8.240 nan 0.000 0.455 382 G N 0.894 109.707 108.800 0.021 0.000 2.534 382 G HA2 0.350 4.310 3.960 0.001 0.000 0.142 382 G HA3 0.350 4.310 3.960 0.001 0.000 0.142 382 G C -1.981 172.961 174.900 0.069 0.000 1.178 382 G CA -0.438 44.697 45.100 0.057 0.000 1.037 382 G HN 0.569 nan 8.290 nan 0.000 0.474 383 L N 1.874 123.151 121.223 0.090 0.000 2.295 383 L HA 0.590 4.930 4.340 0.001 0.000 0.285 383 L C 0.474 177.439 176.870 0.157 0.000 1.035 383 L CA -0.677 54.252 54.840 0.148 0.000 0.806 383 L CB 1.314 43.481 42.059 0.181 0.000 1.214 383 L HN 0.614 nan 8.230 nan 0.000 0.426 384 N N 3.998 122.812 118.700 0.190 0.000 2.400 384 N HA 0.023 4.764 4.740 0.001 0.000 0.278 384 N C 0.972 176.671 175.510 0.315 0.000 1.247 384 N CA 0.389 53.562 53.050 0.206 0.000 0.970 384 N CB 0.920 39.528 38.487 0.202 0.000 1.312 384 N HN 0.927 nan 8.380 nan 0.000 0.488 385 A N 3.209 126.195 122.820 0.276 0.000 2.272 385 A HA -0.089 4.232 4.320 0.001 0.000 0.213 385 A C 0.915 178.784 177.584 0.475 0.000 1.183 385 A CA 0.696 52.950 52.037 0.363 0.000 0.719 385 A CB -0.409 18.720 19.000 0.215 0.000 0.771 385 A HN 0.507 nan 8.150 nan 0.000 0.484 386 V N -2.871 117.236 119.914 0.321 0.000 2.370 386 V HA 0.549 4.670 4.120 0.001 0.000 0.279 386 V C -3.006 173.060 176.094 -0.047 0.000 1.029 386 V CA -3.033 59.369 62.300 0.171 0.000 0.870 386 V CB 1.006 32.904 31.823 0.126 0.000 0.984 386 V HN 0.075 nan 8.190 nan 0.000 0.451 387 P HA 0.108 nan 4.420 nan 0.000 0.261 387 P C 0.571 177.728 177.300 -0.238 0.000 1.173 387 P CA 0.542 63.280 63.100 -0.603 0.000 0.760 387 P CB 0.699 32.132 31.700 -0.446 0.000 0.783 388 S N 1.179 116.777 115.700 -0.170 0.000 2.556 388 S HA 0.069 4.539 4.470 0.001 0.000 0.216 388 S C 0.373 174.963 174.600 -0.016 0.000 0.970 388 S CA 0.118 58.296 58.200 -0.037 0.000 0.912 388 S CB -0.108 63.128 63.200 0.060 0.000 0.790 388 S HN 0.593 nan 8.310 nan 0.000 0.504 389 Q N 0.266 120.033 119.800 -0.055 0.000 2.849 389 Q HA 0.356 4.697 4.340 0.001 0.000 0.267 389 Q C -2.258 173.705 176.000 -0.061 0.000 0.957 389 Q CA -0.645 55.130 55.803 -0.047 0.000 0.856 389 Q CB 0.916 29.633 28.738 -0.035 0.000 1.740 389 Q HN 0.378 nan 8.270 nan 0.000 0.441 390 I N 0.507 121.022 120.570 -0.093 0.000 2.478 390 I HA 0.516 4.686 4.170 0.001 0.000 0.287 390 I C -1.491 174.528 176.117 -0.163 0.000 1.042 390 I CA -1.146 60.060 61.300 -0.157 0.000 1.067 390 I CB 1.319 39.201 38.000 -0.197 0.000 1.233 390 I HN 0.306 nan 8.210 nan 0.000 0.431 391 L N 5.764 126.899 121.223 -0.146 0.000 2.264 391 L HA 0.506 4.846 4.340 0.001 0.000 0.289 391 L C 0.127 176.964 176.870 -0.054 0.000 1.044 391 L CA -0.046 54.733 54.840 -0.102 0.000 0.807 391 L CB 0.775 42.789 42.059 -0.076 0.000 1.192 391 L HN 0.737 nan 8.230 nan 0.000 0.425 392 E N 1.588 121.686 120.200 -0.171 0.000 2.179 392 E HA 0.524 4.875 4.350 0.001 0.000 0.275 392 E C 0.278 176.494 176.600 -0.640 0.000 0.945 392 E CA -0.743 55.465 56.400 -0.320 0.000 0.792 392 E CB 1.677 31.247 29.700 -0.216 0.000 1.125 392 E HN 0.717 nan 8.360 nan 0.000 0.397 393 G N 1.332 109.502 108.800 -1.050 0.000 2.614 393 G HA2 0.041 4.001 3.960 0.001 0.000 0.239 393 G HA3 0.041 4.001 3.960 0.001 0.000 0.239 393 G C 0.018 174.611 174.900 -0.510 0.000 1.240 393 G CA -0.085 44.344 45.100 -1.119 0.000 0.842 393 G HN 0.495 nan 8.290 nan 0.000 0.584 394 Q N -0.594 118.895 119.800 -0.518 0.000 2.127 394 Q HA 0.199 4.540 4.340 0.001 0.000 0.222 394 Q C -0.879 174.692 176.000 -0.716 0.000 0.794 394 Q CA -0.269 55.152 55.803 -0.636 0.000 1.010 394 Q CB 0.848 29.112 28.738 -0.790 0.000 1.170 394 Q HN 0.653 nan 8.270 nan 0.000 0.479 395 W N 0.784 122.054 121.300 -0.050 0.000 2.520 395 W HA 0.787 5.448 4.660 0.001 0.000 0.323 395 W C -0.004 176.512 176.519 -0.006 0.000 1.062 395 W CA -1.268 56.072 57.345 -0.009 0.000 1.215 395 W CB 0.938 30.414 29.460 0.026 0.000 1.340 395 W HN -0.058 nan 8.180 nan 0.000 0.516 396 A N 2.037 124.980 122.820 0.204 0.000 2.322 396 A HA 0.779 5.100 4.320 0.001 0.000 0.269 396 A C 0.119 177.780 177.584 0.129 0.000 1.094 396 A CA -0.599 51.512 52.037 0.122 0.000 0.807 396 A CB 0.164 19.213 19.000 0.082 0.000 1.047 396 A HN 0.857 nan 8.150 nan 0.000 0.487 397 A N 0.709 123.583 122.820 0.090 0.000 2.498 397 A HA 0.423 4.744 4.320 0.001 0.000 0.239 397 A C 1.056 178.675 177.584 0.059 0.000 1.068 397 A CA 0.089 52.167 52.037 0.070 0.000 0.766 397 A CB 0.104 19.138 19.000 0.058 0.000 1.003 397 A HN 0.875 nan 8.150 nan 0.000 0.497 398 R N 0.360 120.887 120.500 0.045 0.000 2.102 398 R HA 0.093 4.433 4.340 0.001 0.000 0.208 398 R C 1.692 178.013 176.300 0.036 0.000 1.131 398 R CA 1.756 57.881 56.100 0.041 0.000 1.054 398 R CB 0.088 30.408 30.300 0.034 0.000 0.954 398 R HN 0.893 nan 8.270 nan 0.000 0.465 399 S N -1.798 113.921 115.700 0.033 0.000 2.700 399 S HA 0.312 4.783 4.470 0.001 0.000 0.272 399 S C 0.257 174.877 174.600 0.033 0.000 1.052 399 S CA -0.391 57.831 58.200 0.037 0.000 1.317 399 S CB 0.153 63.382 63.200 0.048 0.000 1.212 399 S HN 0.210 nan 8.310 nan 0.000 0.675 400 M N -0.680 118.932 119.600 0.020 0.000 2.833 400 M HA 0.624 5.104 4.480 0.001 0.000 0.270 400 M C -3.273 173.025 176.300 -0.004 0.000 1.209 400 M CA -1.574 53.731 55.300 0.008 0.000 0.826 400 M CB 0.892 33.495 32.600 0.004 0.000 1.657 400 M HN -0.250 nan 8.290 nan 0.000 0.492 401 P HA 0.118 nan 4.420 nan 0.000 0.262 401 P C -2.172 175.124 177.300 -0.007 0.000 1.182 401 P CA -0.488 62.657 63.100 0.075 0.000 0.761 401 P CB -0.107 31.714 31.700 0.203 0.000 0.795 402 P HA -0.202 nan 4.420 nan 0.000 0.218 402 P C 0.486 177.729 177.300 -0.095 0.000 1.146 402 P CA 1.176 64.278 63.100 0.004 0.000 0.820 402 P CB -0.350 31.438 31.700 0.146 0.000 0.778 403 S N -2.479 113.190 115.700 -0.053 0.000 3.521 403 S HA -0.237 4.234 4.470 0.001 0.000 0.328 403 S C 0.127 174.737 174.600 0.017 0.000 1.165 403 S CA 0.145 58.247 58.200 -0.163 0.000 0.941 403 S CB -2.788 60.111 63.200 -0.503 0.000 0.951 403 S HN 0.375 nan 8.310 nan 0.000 0.539 404 F N 2.047 121.985 119.950 -0.019 0.000 2.569 404 F HA 0.367 4.895 4.527 0.002 0.000 0.395 404 F C 1.361 177.196 175.800 0.059 0.000 1.028 404 F CA 1.518 59.561 58.000 0.072 0.000 1.158 404 F CB -0.173 38.904 39.000 0.128 0.000 1.023 404 F HN 0.403 nan 8.300 nan 0.000 0.547 405 G N 4.390 112.996 108.800 -0.323 0.000 2.179 405 G HA2 -0.400 3.561 3.960 0.001 0.000 0.220 405 G HA3 -0.400 3.561 3.960 0.001 0.000 0.220 405 G C 0.644 175.515 174.900 -0.048 0.000 0.990 405 G CA 0.246 45.210 45.100 -0.228 0.000 0.646 405 G HN 0.779 nan 8.290 nan 0.000 0.517 406 Y N 2.225 122.478 120.300 -0.079 0.000 2.181 406 Y HA 0.169 4.719 4.550 0.001 0.000 0.288 406 Y C 1.722 177.588 175.900 -0.057 0.000 1.146 406 Y CA 2.427 60.528 58.100 0.002 0.000 1.164 406 Y CB 0.201 38.769 38.460 0.180 0.000 0.982 406 Y HN 0.695 nan 8.280 nan 0.000 0.515 407 S N 0.836 116.576 115.700 0.067 0.000 2.647 407 S HA 0.633 5.103 4.470 0.001 0.000 0.300 407 S C -0.772 173.764 174.600 -0.106 0.000 1.129 407 S CA -0.838 57.313 58.200 -0.081 0.000 1.029 407 S CB 1.362 64.481 63.200 -0.135 0.000 1.007 407 S HN 0.318 nan 8.310 nan 0.000 0.484 408 M N 0.888 120.418 119.600 -0.116 0.000 2.593 408 M HA 0.849 5.330 4.480 0.001 0.000 0.290 408 M C -1.390 174.856 176.300 -0.090 0.000 1.244 408 M CA -0.892 54.343 55.300 -0.109 0.000 0.857 408 M CB 2.242 34.789 32.600 -0.089 0.000 1.738 408 M HN 0.515 nan 8.290 nan 0.000 0.461 409 K N 0.633 120.980 120.400 -0.088 0.000 2.565 409 K HA 0.808 5.129 4.320 0.001 0.000 0.251 409 K C -1.624 175.016 176.600 0.066 0.000 0.956 409 K CA -0.138 56.122 56.287 -0.045 0.000 0.809 409 K CB 2.217 34.646 32.500 -0.118 0.000 1.267 409 K HN 1.054 nan 8.250 nan 0.000 0.438 410 G N 1.577 110.510 108.800 0.221 0.000 2.760 410 G HA2 0.657 4.618 3.960 0.001 0.000 0.296 410 G HA3 0.657 4.618 3.960 0.001 0.000 0.296 410 G C -0.565 174.485 174.900 0.249 0.000 1.427 410 G CA -0.120 45.216 45.100 0.393 0.000 1.109 410 G HN 0.973 nan 8.290 nan 0.000 0.553 411 A N 1.367 124.288 122.820 0.168 0.000 2.380 411 A HA 0.359 4.679 4.320 0.001 0.000 0.178 411 A C 0.868 178.339 177.584 -0.190 0.000 2.395 411 A CA 1.130 53.166 52.037 -0.002 0.000 1.371 411 A CB -0.523 18.497 19.000 0.033 0.000 1.141 411 A HN 1.964 nan 8.150 nan 0.000 0.399 412 T N -1.009 113.228 114.554 -0.530 0.000 2.867 412 T HA 0.517 4.868 4.350 0.001 0.000 0.282 412 T C -0.566 173.712 174.700 -0.703 0.000 1.000 412 T CA 0.104 61.794 62.100 -0.684 0.000 1.042 412 T CB 1.593 69.981 68.868 -0.799 0.000 0.973 412 T HN 0.091 nan 8.240 nan 0.000 0.465 413 D N 2.791 122.929 120.400 -0.436 0.000 2.688 413 D HA 0.080 4.721 4.640 0.001 0.000 0.228 413 D C 1.170 177.215 176.300 -0.424 0.000 1.116 413 D CA -0.601 53.197 54.000 -0.338 0.000 1.023 413 D CB -0.733 39.921 40.800 -0.243 0.000 1.100 413 D HN 0.664 nan 8.370 nan 0.000 0.487 414 I N 1.082 121.340 120.570 -0.520 0.000 2.300 414 I HA -0.295 3.876 4.170 0.001 0.000 0.252 414 I C 0.634 176.140 176.117 -1.018 0.000 1.119 414 I CA 1.190 62.108 61.300 -0.638 0.000 1.384 414 I CB 0.208 37.913 38.000 -0.490 0.000 1.062 414 I HN 0.355 nan 8.210 nan 0.000 0.426 415 D N -0.567 119.334 120.400 -0.831 0.000 2.529 415 D HA 0.063 4.704 4.640 0.001 0.000 0.273 415 D C 1.250 177.342 176.300 -0.347 0.000 1.197 415 D CA -0.553 52.955 54.000 -0.820 0.000 1.070 415 D CB 0.265 40.913 40.800 -0.253 0.000 1.134 415 D HN -0.066 nan 8.370 nan 0.000 0.590 416 K N 0.421 120.751 120.400 -0.117 0.000 1.991 416 K HA -0.187 4.134 4.320 0.001 0.000 0.212 416 K C 0.433 176.996 176.600 -0.062 0.000 1.049 416 K CA 0.875 57.135 56.287 -0.046 0.000 0.932 416 K CB -1.825 30.705 32.500 0.050 0.000 0.717 416 K HN 0.727 nan 8.250 nan 0.000 0.441 417 N N 1.235 119.930 118.700 -0.009 0.000 2.237 417 N HA -0.077 4.664 4.740 0.001 0.000 0.245 417 N C 0.950 176.385 175.510 -0.124 0.000 1.239 417 N CA 0.964 54.013 53.050 -0.002 0.000 0.842 417 N CB 0.124 38.695 38.487 0.141 0.000 1.089 417 N HN 0.262 nan 8.380 nan 0.000 0.454 418 G N 0.044 108.657 108.800 -0.311 0.000 2.807 418 G HA2 -0.041 3.920 3.960 0.001 0.000 0.207 418 G HA3 -0.041 3.920 3.960 0.001 0.000 0.207 418 G C -0.571 173.924 174.900 -0.675 0.000 1.151 418 G CA 0.305 45.091 45.100 -0.523 0.000 0.800 418 G HN 0.634 nan 8.290 nan 0.000 0.523 419 Y N -0.907 119.360 120.300 -0.054 0.000 2.487 419 Y HA 0.464 5.015 4.550 0.001 0.000 0.337 419 Y C -1.838 174.018 175.900 -0.074 0.000 1.076 419 Y CA -2.934 55.134 58.100 -0.054 0.000 1.115 419 Y CB 0.947 39.380 38.460 -0.045 0.000 1.235 419 Y HN -0.155 nan 8.280 nan 0.000 0.468 420 P HA 0.002 nan 4.420 nan 0.000 0.295 420 P C -0.787 176.530 177.300 0.029 0.000 1.300 420 P CA 0.558 63.655 63.100 -0.004 0.000 0.801 420 P CB 0.514 32.231 31.700 0.029 0.000 1.420 421 D N -2.886 117.552 120.400 0.063 0.000 2.779 421 D HA 0.514 5.155 4.640 0.001 0.000 0.331 421 D C -1.551 174.941 176.300 0.321 0.000 1.331 421 D CA -0.099 54.015 54.000 0.189 0.000 0.866 421 D CB 1.091 42.011 40.800 0.199 0.000 1.409 421 D HN 0.083 nan 8.370 nan 0.000 0.486 422 L N 0.584 122.028 121.223 0.369 0.000 2.505 422 L HA 0.569 4.910 4.340 0.001 0.000 0.259 422 L C -1.842 175.129 176.870 0.168 0.000 0.952 422 L CA -0.349 54.667 54.840 0.294 0.000 0.840 422 L CB 1.864 44.079 42.059 0.260 0.000 1.358 422 L HN 0.402 nan 8.230 nan 0.000 0.409 423 I N 4.945 125.498 120.570 -0.029 0.000 2.406 423 I HA 0.620 4.790 4.170 0.001 0.000 0.290 423 I C -0.803 175.248 176.117 -0.109 0.000 0.999 423 I CA -0.926 60.287 61.300 -0.145 0.000 1.124 423 I CB 1.895 39.655 38.000 -0.399 0.000 1.289 423 I HN 0.269 nan 8.210 nan 0.000 0.441 424 V N 3.894 123.745 119.914 -0.104 0.000 2.815 424 V HA 0.777 4.898 4.120 0.001 0.000 0.314 424 V C 0.318 176.307 176.094 -0.175 0.000 1.064 424 V CA -0.612 61.574 62.300 -0.191 0.000 0.952 424 V CB 2.004 33.621 31.823 -0.343 0.000 1.020 424 V HN 0.905 nan 8.190 nan 0.000 0.439 425 G N 1.572 110.270 108.800 -0.170 0.000 2.782 425 G HA2 0.618 4.579 3.960 0.001 0.000 0.289 425 G HA3 0.618 4.579 3.960 0.001 0.000 0.289 425 G C -0.423 174.511 174.900 0.057 0.000 1.463 425 G CA -0.177 44.900 45.100 -0.039 0.000 1.019 425 G HN 1.082 nan 8.290 nan 0.000 0.536 426 A N 2.752 125.634 122.820 0.103 0.000 2.391 426 A HA 0.525 4.845 4.320 0.001 0.000 0.316 426 A C 0.565 178.227 177.584 0.130 0.000 1.381 426 A CA -0.727 51.398 52.037 0.146 0.000 0.998 426 A CB -0.309 18.854 19.000 0.272 0.000 1.147 426 A HN 1.284 nan 8.150 nan 0.000 0.545 427 F N 1.238 121.201 119.950 0.022 0.000 2.776 427 F HA 0.334 4.862 4.527 0.002 0.000 0.300 427 F C 1.355 177.087 175.800 -0.114 0.000 1.116 427 F CA 0.306 58.293 58.000 -0.023 0.000 1.375 427 F CB -0.005 38.984 39.000 -0.019 0.000 1.109 427 F HN 0.395 nan 8.300 nan 0.000 0.585 428 G N 0.842 109.317 108.800 -0.543 0.000 2.920 428 G HA2 0.137 4.098 3.960 0.001 0.000 0.208 428 G HA3 0.137 4.098 3.960 0.001 0.000 0.208 428 G C 0.983 175.808 174.900 -0.124 0.000 1.159 428 G CA 0.957 45.820 45.100 -0.395 0.000 0.784 428 G HN 0.589 nan 8.290 nan 0.000 0.535 429 V N -4.191 115.680 119.914 -0.071 0.000 3.392 429 V HA 0.238 4.358 4.120 0.001 0.000 0.294 429 V C -0.399 175.657 176.094 -0.063 0.000 1.561 429 V CA 0.036 62.303 62.300 -0.055 0.000 1.056 429 V CB -0.090 31.689 31.823 -0.073 0.000 0.882 429 V HN 0.157 nan 8.190 nan 0.000 0.440 430 D N 1.430 121.858 120.400 0.046 0.000 3.437 430 D HA -0.137 4.504 4.640 0.001 0.000 0.243 430 D C 0.057 176.433 176.300 0.127 0.000 1.104 430 D CA 0.975 55.081 54.000 0.178 0.000 1.009 430 D CB -0.554 40.314 40.800 0.114 0.000 0.937 430 D HN 0.715 nan 8.370 nan 0.000 0.417 431 R N -0.350 120.323 120.500 0.288 0.000 2.692 431 R HA 0.808 5.149 4.340 0.001 0.000 0.269 431 R C -1.304 175.187 176.300 0.318 0.000 1.030 431 R CA -0.712 55.522 56.100 0.222 0.000 0.882 431 R CB 1.990 32.149 30.300 -0.236 0.000 1.250 431 R HN 0.249 nan 8.270 nan 0.000 0.465 432 A N 2.146 125.181 122.820 0.360 0.000 2.455 432 A HA 0.749 5.069 4.320 0.001 0.000 0.300 432 A C -1.122 176.619 177.584 0.262 0.000 1.040 432 A CA -0.617 51.558 52.037 0.230 0.000 0.697 432 A CB 1.152 20.255 19.000 0.171 0.000 1.265 432 A HN 0.554 nan 8.150 nan 0.000 0.407 433 I N 2.561 123.196 120.570 0.109 0.000 2.498 433 I HA 0.333 4.504 4.170 0.001 0.000 0.290 433 I C -0.921 175.115 176.117 -0.136 0.000 1.032 433 I CA -0.786 60.511 61.300 -0.005 0.000 1.073 433 I CB 1.907 39.844 38.000 -0.105 0.000 1.251 433 I HN 0.407 nan 8.210 nan 0.000 0.426 434 L N 6.875 128.080 121.223 -0.030 0.000 2.255 434 L HA 0.380 4.721 4.340 0.001 0.000 0.289 434 L C -1.105 175.770 176.870 0.008 0.000 1.046 434 L CA -0.160 54.726 54.840 0.076 0.000 0.816 434 L CB 0.409 42.666 42.059 0.331 0.000 1.197 434 L HN 0.545 nan 8.230 nan 0.000 0.427 435 Y N 4.789 125.206 120.300 0.196 0.000 2.504 435 Y HA 0.347 4.897 4.550 0.001 0.000 0.339 435 Y C 0.516 176.508 175.900 0.153 0.000 0.974 435 Y CA -0.881 57.315 58.100 0.160 0.000 1.232 435 Y CB 0.920 39.462 38.460 0.136 0.000 1.108 435 Y HN 0.436 nan 8.280 nan 0.000 0.509 436 R N 2.396 123.080 120.500 0.306 0.000 2.298 436 R HA 0.484 4.824 4.340 0.001 0.000 0.310 436 R C -0.036 176.354 176.300 0.150 0.000 1.068 436 R CA -0.518 55.714 56.100 0.220 0.000 0.957 436 R CB 0.785 31.220 30.300 0.226 0.000 1.003 436 R HN 0.649 nan 8.270 nan 0.000 0.454 437 A N 4.237 127.125 122.820 0.113 0.000 2.477 437 A HA 0.179 4.500 4.320 0.001 0.000 0.246 437 A C 0.055 177.638 177.584 -0.002 0.000 1.078 437 A CA -0.236 51.819 52.037 0.029 0.000 0.770 437 A CB 0.349 19.385 19.000 0.060 0.000 1.011 437 A HN 0.706 nan 8.150 nan 0.000 0.494 438 R N 2.125 122.536 120.500 -0.148 0.000 2.643 438 R HA 0.434 4.775 4.340 0.001 0.000 0.272 438 R C -2.764 173.270 176.300 -0.444 0.000 0.995 438 R CA -1.923 54.082 56.100 -0.159 0.000 1.032 438 R CB 0.370 30.601 30.300 -0.114 0.000 1.126 438 R HN 0.405 nan 8.270 nan 0.000 0.505 439 P HA -0.016 nan 4.420 nan 0.000 0.265 439 P C -0.840 176.290 177.300 -0.285 0.000 1.193 439 P CA 0.081 63.047 63.100 -0.223 0.000 0.765 439 P CB 0.576 32.356 31.700 0.133 0.000 0.823 440 V N 5.655 125.397 119.914 -0.287 0.000 2.384 440 V HA 0.368 4.489 4.120 0.001 0.000 0.287 440 V C 0.335 176.499 176.094 0.117 0.000 1.020 440 V CA -0.364 61.901 62.300 -0.059 0.000 0.850 440 V CB 0.986 32.771 31.823 -0.062 0.000 0.987 440 V HN 0.360 nan 8.190 nan 0.000 0.436 441 I N 4.117 124.776 120.570 0.148 0.000 2.441 441 I HA 0.558 4.729 4.170 0.001 0.000 0.295 441 I C 0.275 176.499 176.117 0.178 0.000 0.994 441 I CA -0.441 60.961 61.300 0.169 0.000 1.144 441 I CB 2.245 40.356 38.000 0.184 0.000 1.314 441 I HN 0.652 nan 8.210 nan 0.000 0.445 442 T N 2.909 117.559 114.554 0.160 0.000 2.770 442 T HA 0.613 4.963 4.350 0.001 0.000 0.283 442 T C -0.669 174.101 174.700 0.116 0.000 0.988 442 T CA -0.745 61.437 62.100 0.137 0.000 0.957 442 T CB 1.673 70.616 68.868 0.125 0.000 0.930 442 T HN 0.358 nan 8.240 nan 0.000 0.443 443 V N 3.398 123.370 119.914 0.097 0.000 2.628 443 V HA 0.601 4.721 4.120 0.001 0.000 0.306 443 V C -1.047 175.021 176.094 -0.044 0.000 1.045 443 V CA -0.982 61.321 62.300 0.006 0.000 0.905 443 V CB 1.747 33.530 31.823 -0.067 0.000 0.997 443 V HN 1.064 nan 8.190 nan 0.000 0.436 444 N N 4.840 123.472 118.700 -0.113 0.000 2.442 444 N HA 0.747 5.487 4.740 0.001 0.000 0.274 444 N C -0.727 174.663 175.510 -0.200 0.000 1.002 444 N CA -0.414 52.577 53.050 -0.098 0.000 0.910 444 N CB 1.947 40.412 38.487 -0.038 0.000 1.244 444 N HN 0.884 nan 8.380 nan 0.000 0.492 445 A N 1.524 124.225 122.820 -0.197 0.000 2.294 445 A HA 0.914 5.234 4.320 0.001 0.000 0.330 445 A C 0.052 177.600 177.584 -0.060 0.000 1.133 445 A CA -0.657 51.242 52.037 -0.230 0.000 0.836 445 A CB 1.153 19.975 19.000 -0.297 0.000 1.190 445 A HN 0.624 nan 8.150 nan 0.000 0.492 446 G N -0.578 108.209 108.800 -0.021 0.000 2.701 446 G HA2 0.587 4.547 3.960 0.001 0.000 0.300 446 G HA3 0.587 4.547 3.960 0.001 0.000 0.300 446 G C -1.924 173.036 174.900 0.100 0.000 1.410 446 G CA -0.313 44.810 45.100 0.038 0.000 1.014 446 G HN 1.052 nan 8.290 nan 0.000 0.509 447 L N 0.958 122.247 121.223 0.110 0.000 2.476 447 L HA 0.873 5.214 4.340 0.001 0.000 0.269 447 L C -1.221 175.733 176.870 0.140 0.000 0.965 447 L CA -0.588 54.340 54.840 0.146 0.000 0.845 447 L CB 2.419 44.547 42.059 0.115 0.000 1.259 447 L HN 0.515 nan 8.230 nan 0.000 0.403 448 E N 2.952 123.255 120.200 0.172 0.000 2.307 448 E HA 0.440 4.791 4.350 0.001 0.000 0.280 448 E C -1.829 174.911 176.600 0.233 0.000 0.900 448 E CA -0.335 56.175 56.400 0.184 0.000 0.790 448 E CB 2.257 32.064 29.700 0.178 0.000 1.261 448 E HN 0.390 nan 8.360 nan 0.000 0.405 449 V N 6.775 126.824 119.914 0.224 0.000 2.465 449 V HA 0.342 4.462 4.120 0.001 0.000 0.279 449 V C 0.346 176.665 176.094 0.376 0.000 1.045 449 V CA 0.091 62.544 62.300 0.255 0.000 0.938 449 V CB 0.507 32.476 31.823 0.243 0.000 0.986 449 V HN 0.853 nan 8.190 nan 0.000 0.467 450 Y N 4.551 124.949 120.300 0.164 0.000 2.271 450 Y HA 0.037 4.588 4.550 0.001 0.000 0.244 450 Y C -0.981 174.987 175.900 0.114 0.000 1.040 450 Y CA -0.043 58.131 58.100 0.123 0.000 1.040 450 Y CB -1.047 37.480 38.460 0.112 0.000 1.009 450 Y HN 0.470 nan 8.280 nan 0.000 0.478 451 P HA -0.030 nan 4.420 nan 0.000 0.267 451 P C 0.068 177.440 177.300 0.120 0.000 1.209 451 P CA 0.625 63.835 63.100 0.183 0.000 0.763 451 P CB 1.285 33.094 31.700 0.182 0.000 0.816 452 S N 3.611 119.343 115.700 0.054 0.000 2.421 452 S HA 0.071 4.541 4.470 0.001 0.000 0.224 452 S C 0.787 175.350 174.600 -0.062 0.000 1.035 452 S CA 0.247 58.446 58.200 -0.003 0.000 0.953 452 S CB -0.292 62.901 63.200 -0.012 0.000 0.810 452 S HN 0.330 nan 8.310 nan 0.000 0.497 453 I N 3.432 123.963 120.570 -0.065 0.000 2.313 453 I HA 0.296 4.467 4.170 0.001 0.000 0.286 453 I C -0.577 175.528 176.117 -0.019 0.000 1.091 453 I CA -0.410 60.854 61.300 -0.060 0.000 1.216 453 I CB 0.969 38.905 38.000 -0.108 0.000 1.434 453 I HN 0.236 nan 8.210 nan 0.000 0.487 454 L N 5.280 126.473 121.223 -0.049 0.000 2.499 454 L HA 0.075 4.416 4.340 0.001 0.000 0.273 454 L C 0.343 177.227 176.870 0.022 0.000 1.195 454 L CA 0.375 55.190 54.840 -0.042 0.000 0.882 454 L CB -0.023 41.949 42.059 -0.144 0.000 1.133 454 L HN 0.620 nan 8.230 nan 0.000 0.483 455 N N 1.501 120.227 118.700 0.044 0.000 2.417 455 N HA 0.122 4.862 4.740 0.001 0.000 0.274 455 N C 0.698 176.247 175.510 0.065 0.000 0.987 455 N CA -0.591 52.491 53.050 0.052 0.000 0.912 455 N CB 1.187 39.703 38.487 0.047 0.000 1.177 455 N HN 0.549 nan 8.380 nan 0.000 0.490 456 Q N 1.723 121.560 119.800 0.063 0.000 2.030 456 Q HA -0.172 4.168 4.340 0.001 0.000 0.204 456 Q C -0.029 176.001 176.000 0.050 0.000 0.986 456 Q CA 1.526 57.369 55.803 0.066 0.000 0.843 456 Q CB -0.167 28.597 28.738 0.043 0.000 0.904 456 Q HN 0.708 nan 8.270 nan 0.000 0.420 457 D N 1.399 121.819 120.400 0.034 0.000 2.856 457 D HA 0.004 4.644 4.640 0.001 0.000 0.242 457 D C -0.330 175.988 176.300 0.029 0.000 1.226 457 D CA -0.095 53.920 54.000 0.024 0.000 0.855 457 D CB -0.219 40.589 40.800 0.013 0.000 1.065 457 D HN 0.096 nan 8.370 nan 0.000 0.462 458 N N 1.353 120.079 118.700 0.042 0.000 2.400 458 N HA 0.066 4.807 4.740 0.001 0.000 0.288 458 N C -0.985 174.551 175.510 0.043 0.000 1.024 458 N CA -0.473 52.604 53.050 0.045 0.000 0.894 458 N CB 1.228 39.752 38.487 0.062 0.000 1.173 458 N HN -0.085 nan 8.380 nan 0.000 0.487 459 K N 3.592 124.012 120.400 0.033 0.000 2.354 459 K HA 0.261 4.581 4.320 0.001 0.000 0.257 459 K C -0.584 176.033 176.600 0.029 0.000 1.062 459 K CA -0.211 56.091 56.287 0.024 0.000 0.971 459 K CB 0.493 33.002 32.500 0.015 0.000 1.305 459 K HN 0.651 nan 8.250 nan 0.000 0.449 460 T N 1.489 116.064 114.554 0.034 0.000 3.232 460 T HA 0.089 4.440 4.350 0.001 0.000 0.259 460 T C 0.973 175.687 174.700 0.024 0.000 0.987 460 T CA 0.150 62.272 62.100 0.037 0.000 1.096 460 T CB 0.024 68.926 68.868 0.057 0.000 1.131 460 T HN 0.602 nan 8.240 nan 0.000 0.445 461 c N 1.832 120.441 118.600 0.015 0.000 1.852 461 c HA 0.810 5.380 4.570 0.001 0.000 0.078 461 c C 0.124 174.194 174.090 -0.033 0.000 2.701 461 c CA -0.289 56.035 56.329 -0.007 0.000 1.837 461 c CB 0.033 42.533 42.510 -0.017 0.000 2.595 461 c HN 0.670 nan 8.230 nan 0.000 0.275 462 S N -0.825 114.833 115.700 -0.069 0.000 2.658 462 S HA 0.399 4.870 4.470 0.001 0.000 0.312 462 S C -1.271 173.246 174.600 -0.139 0.000 1.006 462 S CA -0.703 57.444 58.200 -0.089 0.000 0.855 462 S CB -0.515 62.653 63.200 -0.053 0.000 1.053 462 S HN 0.481 nan 8.310 nan 0.000 0.455 463 L N 3.238 124.362 121.223 -0.165 0.000 2.492 463 L HA 0.214 4.555 4.340 0.001 0.000 0.280 463 L C -0.599 176.197 176.870 -0.122 0.000 1.240 463 L CA -1.453 53.272 54.840 -0.192 0.000 0.831 463 L CB 0.310 42.249 42.059 -0.199 0.000 1.100 463 L HN 0.590 nan 8.230 nan 0.000 0.505 464 P HA -0.153 nan 4.420 nan 0.000 0.211 464 P C 1.186 178.485 177.300 -0.002 0.000 1.179 464 P CA 1.715 64.796 63.100 -0.033 0.000 0.910 464 P CB 0.034 31.746 31.700 0.019 0.000 0.785 465 G N 0.229 109.027 108.800 -0.003 0.000 2.705 465 G HA2 -0.105 3.855 3.960 0.001 0.000 0.214 465 G HA3 -0.105 3.855 3.960 0.001 0.000 0.214 465 G C 0.320 175.213 174.900 -0.012 0.000 1.321 465 G CA 1.669 46.770 45.100 0.002 0.000 0.826 465 G HN 0.460 nan 8.290 nan 0.000 0.595 466 T N -0.609 113.929 114.554 -0.027 0.000 2.916 466 T HA 0.494 4.845 4.350 0.001 0.000 0.303 466 T C 0.771 175.445 174.700 -0.043 0.000 1.025 466 T CA 0.094 62.175 62.100 -0.032 0.000 1.142 466 T CB 1.755 70.600 68.868 -0.039 0.000 0.947 466 T HN 0.550 nan 8.240 nan 0.000 0.544 467 A N 3.823 126.624 122.820 -0.031 0.000 2.416 467 A HA 0.353 4.674 4.320 0.001 0.000 0.252 467 A C 0.815 178.374 177.584 -0.041 0.000 1.353 467 A CA -0.537 51.480 52.037 -0.033 0.000 0.996 467 A CB -0.920 18.071 19.000 -0.016 0.000 0.961 467 A HN 0.870 nan 8.150 nan 0.000 0.523 468 L N 0.630 121.818 121.223 -0.057 0.000 2.418 468 L HA 0.147 4.488 4.340 0.001 0.000 0.274 468 L C 0.083 176.909 176.870 -0.072 0.000 1.135 468 L CA -0.494 54.310 54.840 -0.060 0.000 0.870 468 L CB 0.107 42.123 42.059 -0.071 0.000 1.154 468 L HN 0.099 nan 8.230 nan 0.000 0.462 469 K N 2.422 122.794 120.400 -0.048 0.000 2.436 469 K HA 0.360 4.681 4.320 0.001 0.000 0.275 469 K C -0.296 176.275 176.600 -0.048 0.000 0.999 469 K CA 0.067 56.331 56.287 -0.039 0.000 0.980 469 K CB 1.050 33.541 32.500 -0.015 0.000 0.919 469 K HN 0.371 nan 8.250 nan 0.000 0.484 470 V N 0.555 120.446 119.914 -0.040 0.000 3.188 470 V HA 0.361 4.481 4.120 0.001 0.000 0.305 470 V C -0.982 175.140 176.094 0.047 0.000 1.232 470 V CA -0.845 61.439 62.300 -0.027 0.000 1.043 470 V CB 2.410 34.150 31.823 -0.139 0.000 1.068 470 V HN 0.742 nan 8.190 nan 0.000 0.439 471 S N 3.579 119.338 115.700 0.098 0.000 2.457 471 S HA 0.237 4.707 4.470 0.001 0.000 0.294 471 S C -0.059 174.675 174.600 0.223 0.000 1.201 471 S CA -0.251 58.036 58.200 0.145 0.000 1.112 471 S CB -1.088 62.201 63.200 0.148 0.000 1.018 471 S HN 0.843 nan 8.310 nan 0.000 0.511 472 c N 5.409 124.122 118.600 0.188 0.000 2.362 472 c HA 0.878 5.448 4.570 0.001 0.000 0.363 472 c C -0.294 173.987 174.090 0.318 0.000 1.220 472 c CA -0.600 55.848 56.329 0.199 0.000 2.379 472 c CB -0.045 42.526 42.510 0.102 0.000 2.351 472 c HN 0.902 nan 8.230 nan 0.000 0.582 473 F N 0.499 120.478 119.950 0.047 0.000 2.651 473 F HA 0.408 4.936 4.527 0.001 0.000 0.327 473 F C -1.144 174.646 175.800 -0.018 0.000 1.133 473 F CA -0.922 57.099 58.000 0.035 0.000 1.076 473 F CB -0.010 39.003 39.000 0.022 0.000 1.315 473 F HN 0.606 nan 8.300 nan 0.000 0.499 474 N N 2.047 120.689 118.700 -0.096 0.000 2.489 474 N HA 0.726 5.467 4.740 0.001 0.000 0.284 474 N C -1.759 173.506 175.510 -0.408 0.000 1.158 474 N CA -1.280 51.531 53.050 -0.399 0.000 0.965 474 N CB 2.737 40.850 38.487 -0.624 0.000 1.195 474 N HN 0.568 nan 8.380 nan 0.000 0.506 475 V N 1.231 120.943 119.914 -0.338 0.000 2.612 475 V HA 0.450 4.570 4.120 0.001 0.000 0.301 475 V C -1.055 175.041 176.094 0.005 0.000 1.059 475 V CA -0.557 61.684 62.300 -0.099 0.000 0.886 475 V CB 1.215 33.087 31.823 0.082 0.000 1.007 475 V HN 0.809 nan 8.190 nan 0.000 0.426 476 R N 5.204 125.747 120.500 0.072 0.000 2.873 476 R HA 0.851 5.192 4.340 0.001 0.000 0.264 476 R C -1.659 174.850 176.300 0.349 0.000 1.026 476 R CA -0.651 55.547 56.100 0.163 0.000 1.002 476 R CB 2.121 32.467 30.300 0.077 0.000 1.174 476 R HN 0.777 nan 8.270 nan 0.000 0.488 477 F N -1.020 118.938 119.950 0.013 0.000 3.051 477 F HA 0.457 4.985 4.527 0.001 0.000 0.363 477 F C -1.204 174.579 175.800 -0.028 0.000 1.257 477 F CA -1.230 56.771 58.000 0.001 0.000 1.126 477 F CB 0.247 39.249 39.000 0.004 0.000 1.476 477 F HN 0.379 nan 8.300 nan 0.000 0.576 478 c N 3.030 121.619 118.600 -0.019 0.000 2.595 478 c HA 0.740 5.310 4.570 0.001 0.000 0.384 478 c C -0.097 173.934 174.090 -0.098 0.000 1.289 478 c CA -0.395 55.880 56.329 -0.089 0.000 2.372 478 c CB 1.138 43.616 42.510 -0.052 0.000 2.593 478 c HN 0.826 nan 8.230 nan 0.000 0.639 479 L N 2.646 123.786 121.223 -0.138 0.000 2.516 479 L HA 0.501 4.841 4.340 0.001 0.000 0.267 479 L C -0.608 176.169 176.870 -0.155 0.000 0.957 479 L CA -0.042 54.663 54.840 -0.225 0.000 0.860 479 L CB 0.945 42.828 42.059 -0.294 0.000 1.265 479 L HN 0.761 nan 8.230 nan 0.000 0.403 480 K N 3.970 124.279 120.400 -0.152 0.000 2.471 480 K HA 0.952 5.273 4.320 0.001 0.000 0.252 480 K C -1.763 174.817 176.600 -0.033 0.000 0.938 480 K CA -0.419 55.833 56.287 -0.058 0.000 0.796 480 K CB 1.907 34.386 32.500 -0.035 0.000 1.161 480 K HN 0.705 nan 8.250 nan 0.000 0.425 481 A N 3.232 126.085 122.820 0.055 0.000 2.520 481 A HA 0.571 4.891 4.320 0.001 0.000 0.298 481 A C -1.907 175.748 177.584 0.119 0.000 1.051 481 A CA -0.616 51.488 52.037 0.113 0.000 0.690 481 A CB 1.847 20.997 19.000 0.249 0.000 1.281 481 A HN 0.780 nan 8.150 nan 0.000 0.402 482 D N 0.326 120.791 120.400 0.109 0.000 2.871 482 D HA 0.522 5.163 4.640 0.001 0.000 0.209 482 D C -0.113 176.250 176.300 0.105 0.000 1.292 482 D CA 0.563 54.620 54.000 0.095 0.000 0.869 482 D CB 1.506 42.348 40.800 0.070 0.000 1.663 482 D HN 0.849 nan 8.370 nan 0.000 0.557 483 G N 1.864 110.731 108.800 0.112 0.000 2.441 483 G HA2 0.444 4.405 3.960 0.001 0.000 0.334 483 G HA3 0.444 4.405 3.960 0.001 0.000 0.334 483 G C -0.706 174.268 174.900 0.125 0.000 1.161 483 G CA -0.833 44.349 45.100 0.137 0.000 0.935 483 G HN 0.401 nan 8.290 nan 0.000 0.488 484 K N 0.912 121.406 120.400 0.156 0.000 2.265 484 K HA 0.536 4.857 4.320 0.001 0.000 0.242 484 K C 0.392 177.019 176.600 0.045 0.000 1.137 484 K CA 0.143 56.490 56.287 0.099 0.000 1.082 484 K CB -0.374 32.187 32.500 0.103 0.000 1.731 484 K HN 0.824 nan 8.250 nan 0.000 0.392 485 G N 0.165 108.967 108.800 0.004 0.000 2.399 485 G HA2 0.058 4.019 3.960 0.001 0.000 0.256 485 G HA3 0.058 4.019 3.960 0.001 0.000 0.256 485 G C -1.519 173.366 174.900 -0.025 0.000 1.236 485 G CA -0.762 44.261 45.100 -0.128 0.000 0.914 485 G HN 0.040 nan 8.290 nan 0.000 0.482 486 V N 2.327 122.238 119.914 -0.005 0.000 2.284 486 V HA 0.497 4.617 4.120 0.001 0.000 0.260 486 V C 1.041 177.186 176.094 0.084 0.000 1.084 486 V CA 0.865 63.183 62.300 0.030 0.000 0.894 486 V CB -0.349 31.482 31.823 0.015 0.000 1.119 486 V HN 0.989 nan 8.190 nan 0.000 0.484 487 L N 2.057 123.323 121.223 0.072 0.000 2.126 487 L HA 0.465 4.806 4.340 0.001 0.000 0.236 487 L C -1.739 175.159 176.870 0.046 0.000 1.151 487 L CA -0.355 54.529 54.840 0.073 0.000 1.286 487 L CB -0.825 41.296 42.059 0.104 0.000 2.572 487 L HN 0.367 nan 8.230 nan 0.000 0.535 488 P HA -0.026 nan 4.420 nan 0.000 0.283 488 P C 0.052 177.360 177.300 0.014 0.000 1.613 488 P CA 0.381 63.499 63.100 0.030 0.000 1.293 488 P CB 0.159 31.879 31.700 0.033 0.000 0.976 489 R N -2.375 118.132 120.500 0.012 0.000 3.733 489 R HA -0.199 4.141 4.340 0.001 0.000 0.375 489 R C 0.688 176.983 176.300 -0.007 0.000 0.588 489 R CA 2.415 58.518 56.100 0.004 0.000 1.567 489 R CB -2.204 28.099 30.300 0.005 0.000 1.933 489 R HN 0.798 nan 8.270 nan 0.000 0.396 490 K N 0.624 121.011 120.400 -0.022 0.000 3.054 490 K HA 0.361 4.682 4.320 0.001 0.000 0.203 490 K C -0.116 176.419 176.600 -0.109 0.000 1.126 490 K CA -0.344 55.914 56.287 -0.047 0.000 1.023 490 K CB 0.128 32.606 32.500 -0.037 0.000 0.722 490 K HN 0.025 nan 8.250 nan 0.000 0.441 491 L N 3.385 124.531 121.223 -0.129 0.000 2.652 491 L HA 0.057 4.398 4.340 0.001 0.000 0.284 491 L C -0.524 176.046 176.870 -0.500 0.000 1.204 491 L CA -0.213 54.438 54.840 -0.314 0.000 1.105 491 L CB -1.385 40.571 42.059 -0.172 0.000 1.393 491 L HN 0.430 nan 8.230 nan 0.000 0.452 492 N N 2.555 120.971 118.700 -0.474 0.000 2.524 492 N HA 0.620 5.361 4.740 0.001 0.000 0.283 492 N C -0.841 174.343 175.510 -0.543 0.000 1.142 492 N CA -0.315 52.531 53.050 -0.341 0.000 0.984 492 N CB 0.894 39.279 38.487 -0.170 0.000 1.155 492 N HN 0.155 nan 8.380 nan 0.000 0.467 493 F N -1.106 118.849 119.950 0.009 0.000 2.599 493 F HA 0.360 4.888 4.527 0.001 0.000 0.311 493 F C -0.239 175.579 175.800 0.029 0.000 1.076 493 F CA -1.050 56.968 58.000 0.030 0.000 0.937 493 F CB 2.123 41.150 39.000 0.045 0.000 1.282 493 F HN 0.129 nan 8.300 nan 0.000 0.460 494 Q N 2.544 122.504 119.800 0.266 0.000 2.425 494 Q HA 0.438 4.778 4.340 0.001 0.000 0.254 494 Q C -0.752 175.330 176.000 0.137 0.000 1.032 494 Q CA -0.435 55.448 55.803 0.133 0.000 0.798 494 Q CB 1.792 30.567 28.738 0.063 0.000 1.210 494 Q HN 0.365 nan 8.270 nan 0.000 0.491 495 V N 1.923 121.904 119.914 0.113 0.000 2.617 495 V HA 0.435 4.556 4.120 0.001 0.000 0.298 495 V C 0.068 176.123 176.094 -0.064 0.000 1.048 495 V CA -0.632 61.709 62.300 0.068 0.000 0.964 495 V CB 1.858 33.764 31.823 0.138 0.000 1.004 495 V HN 0.589 nan 8.190 nan 0.000 0.466 496 E N 3.027 123.158 120.200 -0.115 0.000 2.265 496 E HA 0.537 4.888 4.350 0.001 0.000 0.262 496 E C -1.527 174.980 176.600 -0.154 0.000 0.889 496 E CA -0.312 56.004 56.400 -0.140 0.000 0.789 496 E CB 1.228 30.880 29.700 -0.080 0.000 1.221 496 E HN 0.576 nan 8.360 nan 0.000 0.414 497 L N 3.716 124.863 121.223 -0.128 0.000 2.360 497 L HA 0.618 4.958 4.340 0.001 0.000 0.271 497 L C -0.741 176.240 176.870 0.186 0.000 1.057 497 L CA -1.199 53.641 54.840 -0.000 0.000 0.803 497 L CB 0.930 43.027 42.059 0.064 0.000 1.207 497 L HN 0.468 nan 8.230 nan 0.000 0.445 498 L N 2.892 124.239 121.223 0.207 0.000 2.476 498 L HA 0.473 4.814 4.340 0.001 0.000 0.269 498 L C -0.841 176.077 176.870 0.080 0.000 0.965 498 L CA -0.009 54.941 54.840 0.183 0.000 0.845 498 L CB 1.929 44.134 42.059 0.243 0.000 1.259 498 L HN 0.362 nan 8.230 nan 0.000 0.403 499 L N 3.917 125.108 121.223 -0.054 0.000 2.289 499 L HA 0.427 4.767 4.340 0.001 0.000 0.285 499 L C -0.336 176.463 176.870 -0.119 0.000 1.049 499 L CA -0.720 54.029 54.840 -0.151 0.000 0.804 499 L CB 1.029 42.876 42.059 -0.355 0.000 1.195 499 L HN 0.617 nan 8.230 nan 0.000 0.428 500 D N 1.915 122.246 120.400 -0.115 0.000 3.620 500 D HA -0.166 4.475 4.640 0.001 0.000 0.237 500 D C 0.670 176.907 176.300 -0.105 0.000 1.111 500 D CA 0.565 54.488 54.000 -0.128 0.000 1.070 500 D CB 0.114 40.816 40.800 -0.164 0.000 0.891 500 D HN 0.554 nan 8.370 nan 0.000 0.412 501 K N 1.872 122.211 120.400 -0.102 0.000 2.186 501 K HA 0.152 4.473 4.320 0.001 0.000 0.202 501 K C 2.140 178.657 176.600 -0.139 0.000 1.052 501 K CA 0.701 56.907 56.287 -0.136 0.000 0.965 501 K CB -0.185 32.183 32.500 -0.219 0.000 0.746 501 K HN 0.547 nan 8.250 nan 0.000 0.457 502 L N 0.642 121.791 121.223 -0.123 0.000 2.189 502 L HA -0.145 4.196 4.340 0.001 0.000 0.214 502 L C 0.480 177.297 176.870 -0.088 0.000 1.097 502 L CA 0.832 55.610 54.840 -0.103 0.000 0.764 502 L CB -0.384 41.621 42.059 -0.089 0.000 0.900 502 L HN -0.015 nan 8.230 nan 0.000 0.436 503 K N 1.555 121.900 120.400 -0.091 0.000 2.315 503 K HA 0.104 4.425 4.320 0.001 0.000 0.291 503 K C 0.337 176.896 176.600 -0.068 0.000 1.074 503 K CA 0.303 56.544 56.287 -0.077 0.000 0.936 503 K CB 0.958 33.404 32.500 -0.089 0.000 1.049 503 K HN 0.235 nan 8.250 nan 0.000 0.471 504 Q N 2.143 121.909 119.800 -0.056 0.000 2.608 504 Q HA -0.020 4.321 4.340 0.001 0.000 0.400 504 Q C 0.670 176.648 176.000 -0.038 0.000 1.147 504 Q CA 0.473 56.248 55.803 -0.048 0.000 0.948 504 Q CB 0.377 29.091 28.738 -0.040 0.000 3.498 504 Q HN 0.224 nan 8.270 nan 0.000 0.481 505 K N -0.023 120.360 120.400 -0.029 0.000 2.487 505 K HA 0.034 4.354 4.320 0.001 0.000 0.192 505 K C 1.472 178.063 176.600 -0.016 0.000 1.027 505 K CA 0.619 56.894 56.287 -0.020 0.000 1.054 505 K CB -0.125 32.365 32.500 -0.016 0.000 0.824 505 K HN 0.650 nan 8.250 nan 0.000 0.510 506 G N 1.116 109.905 108.800 -0.018 0.000 2.443 506 G HA2 -0.100 3.861 3.960 0.001 0.000 0.219 506 G HA3 -0.100 3.861 3.960 0.001 0.000 0.219 506 G C 0.928 175.822 174.900 -0.010 0.000 1.131 506 G CA 0.927 46.020 45.100 -0.012 0.000 0.775 506 G HN 0.302 nan 8.290 nan 0.000 0.547 507 A N -0.977 121.832 122.820 -0.018 0.000 3.384 507 A HA -0.175 4.146 4.320 0.001 0.000 0.260 507 A C 0.980 178.549 177.584 -0.025 0.000 1.168 507 A CA 0.834 52.861 52.037 -0.018 0.000 1.253 507 A CB -2.134 16.863 19.000 -0.005 0.000 1.122 507 A HN 0.506 nan 8.150 nan 0.000 0.934 508 I N 1.943 122.495 120.570 -0.030 0.000 2.382 508 I HA 0.048 4.219 4.170 0.001 0.000 0.297 508 I C 0.610 176.653 176.117 -0.123 0.000 1.172 508 I CA -0.139 61.135 61.300 -0.044 0.000 1.825 508 I CB -0.306 37.689 38.000 -0.008 0.000 1.509 508 I HN 0.173 nan 8.210 nan 0.000 0.842 509 R N 4.689 125.115 120.500 -0.123 0.000 2.429 509 R HA 0.141 4.482 4.340 0.001 0.000 0.302 509 R C 1.197 177.335 176.300 -0.270 0.000 1.268 509 R CA -0.093 55.906 56.100 -0.169 0.000 1.090 509 R CB 0.086 30.316 30.300 -0.116 0.000 1.102 509 R HN 0.486 nan 8.270 nan 0.000 0.522 510 R N 0.516 120.765 120.500 -0.419 0.000 2.193 510 R HA -0.025 4.316 4.340 0.001 0.000 0.229 510 R C 0.522 176.562 176.300 -0.434 0.000 1.110 510 R CA 1.123 56.789 56.100 -0.724 0.000 0.988 510 R CB 0.149 29.935 30.300 -0.856 0.000 0.871 510 R HN 0.342 nan 8.270 nan 0.000 0.458 511 A N 1.058 123.704 122.820 -0.290 0.000 2.435 511 A HA 0.736 5.056 4.320 0.001 0.000 0.304 511 A C -0.891 176.499 177.584 -0.323 0.000 1.064 511 A CA -0.723 51.183 52.037 -0.219 0.000 0.727 511 A CB 1.578 20.506 19.000 -0.119 0.000 1.284 511 A HN 0.080 nan 8.150 nan 0.000 0.415 512 L N 0.673 121.577 121.223 -0.532 0.000 2.424 512 L HA 0.565 4.905 4.340 0.001 0.000 0.258 512 L C -0.776 175.606 176.870 -0.813 0.000 0.995 512 L CA -0.575 53.878 54.840 -0.645 0.000 0.821 512 L CB 1.866 43.589 42.059 -0.560 0.000 1.383 512 L HN 0.754 nan 8.230 nan 0.000 0.410 513 F N 0.540 120.266 119.950 -0.373 0.000 2.426 513 F HA 0.089 4.616 4.527 0.001 0.000 0.309 513 F C 1.145 176.783 175.800 -0.270 0.000 1.246 513 F CA -0.281 57.534 58.000 -0.308 0.000 1.229 513 F CB 0.426 39.325 39.000 -0.169 0.000 1.255 513 F HN 0.315 nan 8.300 nan 0.000 0.558 514 L N 0.812 122.080 121.223 0.075 0.000 1.848 514 L HA -0.193 4.148 4.340 0.001 0.000 0.225 514 L C 2.082 178.961 176.870 0.014 0.000 1.106 514 L CA 1.532 56.370 54.840 -0.003 0.000 0.906 514 L CB -1.217 40.666 42.059 -0.294 0.000 0.914 514 L HN 0.630 nan 8.230 nan 0.000 0.476 515 Y N 0.387 120.740 120.300 0.089 0.000 2.425 515 Y HA -0.152 4.398 4.550 0.001 0.000 0.285 515 Y C 1.402 177.349 175.900 0.078 0.000 1.170 515 Y CA 0.807 58.948 58.100 0.068 0.000 1.304 515 Y CB -0.722 37.754 38.460 0.026 0.000 0.972 515 Y HN 0.377 nan 8.280 nan 0.000 0.558 516 S N -0.217 115.614 115.700 0.218 0.000 2.395 516 S HA 0.441 4.911 4.470 0.001 0.000 0.207 516 S C -0.503 174.201 174.600 0.173 0.000 1.454 516 S CA -1.046 57.258 58.200 0.173 0.000 1.211 516 S CB 0.448 63.742 63.200 0.155 0.000 1.093 516 S HN 0.202 nan 8.310 nan 0.000 0.472 517 R N 2.136 122.736 120.500 0.166 0.000 2.637 517 R HA 0.362 4.702 4.340 0.001 0.000 0.331 517 R C -0.013 176.350 176.300 0.105 0.000 1.166 517 R CA 0.162 56.358 56.100 0.160 0.000 0.993 517 R CB -0.368 30.067 30.300 0.225 0.000 1.012 517 R HN 0.627 nan 8.270 nan 0.000 0.461 518 S N 1.736 117.484 115.700 0.080 0.000 2.586 518 S HA 0.286 4.756 4.470 0.001 0.000 0.277 518 S C -2.372 172.272 174.600 0.074 0.000 1.131 518 S CA -1.185 57.061 58.200 0.076 0.000 0.848 518 S CB 1.673 64.943 63.200 0.116 0.000 1.091 518 S HN 0.305 nan 8.310 nan 0.000 0.453 519 P HA 0.187 nan 4.420 nan 0.000 0.240 519 P C -0.145 177.244 177.300 0.149 0.000 1.190 519 P CA 0.093 63.152 63.100 -0.068 0.000 0.781 519 P CB 0.106 31.755 31.700 -0.086 0.000 0.931 520 S N 0.750 116.588 115.700 0.231 0.000 2.448 520 S HA 0.283 4.754 4.470 0.001 0.000 0.320 520 S C -0.444 174.314 174.600 0.264 0.000 1.071 520 S CA -0.431 57.917 58.200 0.248 0.000 1.113 520 S CB 0.340 63.608 63.200 0.113 0.000 0.972 520 S HN 0.225 nan 8.310 nan 0.000 0.465 521 H N 2.020 121.159 119.070 0.116 0.000 2.495 521 H HA 0.560 5.117 4.556 0.001 0.000 0.348 521 H C -1.118 174.104 175.328 -0.176 0.000 1.113 521 H CA -0.524 55.394 56.048 -0.217 0.000 1.195 521 H CB 1.343 30.523 29.762 -0.970 0.000 1.521 521 H HN 0.492 nan 8.280 nan 0.000 0.509 522 S N 3.507 118.704 115.700 -0.838 0.000 2.537 522 S HA 0.518 4.989 4.470 0.001 0.000 0.301 522 S C -0.640 173.504 174.600 -0.761 0.000 1.092 522 S CA -0.752 57.074 58.200 -0.623 0.000 1.048 522 S CB 1.997 65.032 63.200 -0.276 0.000 1.053 522 S HN 0.678 nan 8.310 nan 0.000 0.501 523 K N 1.220 121.395 120.400 -0.375 0.000 2.578 523 K HA 0.424 4.745 4.320 0.001 0.000 0.287 523 K C -2.074 174.520 176.600 -0.009 0.000 1.010 523 K CA -0.763 55.445 56.287 -0.130 0.000 0.889 523 K CB 1.215 33.751 32.500 0.060 0.000 1.514 523 K HN 0.835 nan 8.250 nan 0.000 0.424 524 N N 2.174 120.903 118.700 0.048 0.000 2.793 524 N HA 0.264 5.005 4.740 0.001 0.000 0.251 524 N C -0.140 175.418 175.510 0.080 0.000 1.308 524 N CA -0.654 52.437 53.050 0.068 0.000 0.781 524 N CB 0.742 39.244 38.487 0.026 0.000 1.439 524 N HN 0.507 nan 8.380 nan 0.000 0.562 525 M N 0.412 120.085 119.600 0.121 0.000 2.066 525 M HA 0.623 5.104 4.480 0.001 0.000 0.203 525 M C -0.613 175.749 176.300 0.105 0.000 1.145 525 M CA 0.069 55.422 55.300 0.089 0.000 1.084 525 M CB 0.643 33.281 32.600 0.064 0.000 1.177 525 M HN 0.178 nan 8.290 nan 0.000 0.588 526 T N -0.134 114.473 114.554 0.089 0.000 2.769 526 T HA 0.781 5.132 4.350 0.001 0.000 0.306 526 T C -0.591 174.162 174.700 0.089 0.000 1.400 526 T CA -0.685 61.464 62.100 0.081 0.000 1.007 526 T CB 2.123 71.002 68.868 0.019 0.000 1.392 526 T HN 0.884 nan 8.240 nan 0.000 0.500 527 I N -2.590 118.029 120.570 0.082 0.000 3.205 527 I HA 0.789 4.959 4.170 0.001 0.000 0.326 527 I C 0.149 176.298 176.117 0.054 0.000 1.417 527 I CA -0.988 60.357 61.300 0.076 0.000 0.929 527 I CB 1.042 39.114 38.000 0.120 0.000 1.220 527 I HN 0.692 nan 8.210 nan 0.000 0.461 528 S N -1.073 114.663 115.700 0.061 0.000 3.556 528 S HA 0.228 4.698 4.470 0.001 0.000 0.136 528 S C -0.021 174.608 174.600 0.049 0.000 0.816 528 S CA -0.341 57.887 58.200 0.047 0.000 1.420 528 S CB -0.098 63.116 63.200 0.024 0.000 1.235 528 S HN 0.637 nan 8.310 nan 0.000 0.338 529 R N 0.820 121.343 120.500 0.038 0.000 2.679 529 R HA 0.433 4.774 4.340 0.001 0.000 0.269 529 R C 1.396 177.719 176.300 0.037 0.000 1.076 529 R CA 0.502 56.621 56.100 0.032 0.000 1.160 529 R CB 0.061 30.373 30.300 0.021 0.000 1.054 529 R HN 0.374 nan 8.270 nan 0.000 0.507 530 G N 0.053 108.873 108.800 0.034 0.000 2.920 530 G HA2 0.032 3.992 3.960 0.001 0.000 0.208 530 G HA3 0.032 3.992 3.960 0.001 0.000 0.208 530 G C 0.741 175.655 174.900 0.025 0.000 1.159 530 G CA 0.445 45.566 45.100 0.035 0.000 0.784 530 G HN 0.722 nan 8.290 nan 0.000 0.535 531 G N -0.660 108.151 108.800 0.018 0.000 3.873 531 G HA2 0.171 4.132 3.960 0.001 0.000 0.232 531 G HA3 0.171 4.132 3.960 0.001 0.000 0.232 531 G C 0.232 175.136 174.900 0.006 0.000 1.097 531 G CA -0.175 44.932 45.100 0.011 0.000 0.889 531 G HN 0.202 nan 8.290 nan 0.000 0.532 532 L N 3.344 124.572 121.223 0.008 0.000 2.719 532 L HA 0.442 4.782 4.340 0.001 0.000 0.236 532 L C 1.011 177.879 176.870 -0.003 0.000 1.285 532 L CA -0.262 54.580 54.840 0.002 0.000 1.222 532 L CB -0.544 41.519 42.059 0.007 0.000 1.493 532 L HN 0.400 nan 8.230 nan 0.000 0.415 533 M N 0.100 119.693 119.600 -0.012 0.000 2.922 533 M HA 0.128 4.609 4.480 0.001 0.000 0.294 533 M C 0.390 176.664 176.300 -0.044 0.000 1.556 533 M CA 0.465 55.748 55.300 -0.029 0.000 1.568 533 M CB -0.320 32.258 32.600 -0.036 0.000 1.462 533 M HN 0.352 nan 8.290 nan 0.000 0.489 534 Q N 2.381 122.156 119.800 -0.041 0.000 2.315 534 Q HA 0.118 4.458 4.340 0.001 0.000 0.289 534 Q C -1.431 174.500 176.000 -0.116 0.000 1.044 534 Q CA 0.239 56.005 55.803 -0.061 0.000 0.920 534 Q CB 0.893 29.605 28.738 -0.042 0.000 1.214 534 Q HN 0.938 nan 8.270 nan 0.000 0.392 535 c N 4.345 122.859 118.600 -0.143 0.000 2.396 535 c HA 0.460 5.031 4.570 0.001 0.000 0.321 535 c C -0.700 173.201 174.090 -0.314 0.000 1.233 535 c CA -0.569 55.621 56.329 -0.232 0.000 1.440 535 c CB 1.628 44.052 42.510 -0.142 0.000 2.110 535 c HN 0.933 nan 8.230 nan 0.000 0.473 536 E N 2.389 122.215 120.200 -0.622 0.000 2.222 536 E HA 0.574 4.925 4.350 0.001 0.000 0.272 536 E C -0.690 175.581 176.600 -0.547 0.000 0.982 536 E CA -0.098 55.928 56.400 -0.623 0.000 0.842 536 E CB 1.230 30.434 29.700 -0.827 0.000 1.144 536 E HN 0.763 nan 8.360 nan 0.000 0.397 537 E N 2.624 122.693 120.200 -0.219 0.000 2.369 537 E HA 0.597 4.948 4.350 0.001 0.000 0.270 537 E C -1.195 175.392 176.600 -0.022 0.000 0.909 537 E CA -0.622 55.728 56.400 -0.083 0.000 0.775 537 E CB 1.157 30.816 29.700 -0.068 0.000 1.270 537 E HN 0.434 nan 8.360 nan 0.000 0.445 538 L N 1.673 122.879 121.223 -0.030 0.000 2.502 538 L HA 0.549 4.889 4.340 0.001 0.000 0.253 538 L C -1.359 175.459 176.870 -0.087 0.000 1.070 538 L CA -1.125 53.685 54.840 -0.050 0.000 0.871 538 L CB 1.923 43.947 42.059 -0.059 0.000 1.487 538 L HN 0.508 nan 8.230 nan 0.000 0.408 539 I N 0.454 120.996 120.570 -0.047 0.000 2.582 539 I HA 0.813 4.983 4.170 0.001 0.000 0.292 539 I C -0.425 175.578 176.117 -0.190 0.000 1.066 539 I CA -0.425 60.798 61.300 -0.128 0.000 1.053 539 I CB 1.921 39.903 38.000 -0.031 0.000 1.241 539 I HN 0.482 nan 8.210 nan 0.000 0.421 540 A N 4.508 126.996 122.820 -0.553 0.000 2.449 540 A HA 0.861 5.182 4.320 0.001 0.000 0.302 540 A C -1.266 175.900 177.584 -0.696 0.000 1.048 540 A CA -0.625 50.942 52.037 -0.784 0.000 0.708 540 A CB 1.106 19.332 19.000 -1.290 0.000 1.274 540 A HN 0.752 nan 8.150 nan 0.000 0.410 541 Y N 0.264 120.425 120.300 -0.232 0.000 2.631 541 Y HA 0.874 5.425 4.550 0.001 0.000 0.328 541 Y C -0.853 175.172 175.900 0.208 0.000 1.118 541 Y CA -1.671 56.444 58.100 0.025 0.000 1.206 541 Y CB 0.994 39.446 38.460 -0.014 0.000 1.337 541 Y HN 0.588 nan 8.280 nan 0.000 0.515 542 L N 1.974 123.523 121.223 0.543 0.000 2.365 542 L HA 0.534 4.875 4.340 0.001 0.000 0.273 542 L C -0.512 176.613 176.870 0.424 0.000 1.000 542 L CA -1.061 53.998 54.840 0.365 0.000 0.819 542 L CB 1.910 44.112 42.059 0.239 0.000 1.284 542 L HN 0.757 nan 8.230 nan 0.000 0.418 543 R N 1.997 122.714 120.500 0.363 0.000 2.679 543 R HA 0.089 4.429 4.340 0.001 0.000 0.268 543 R C -0.594 175.961 176.300 0.426 0.000 1.044 543 R CA -0.349 55.990 56.100 0.399 0.000 1.105 543 R CB 0.239 30.764 30.300 0.376 0.000 0.989 543 R HN 0.611 nan 8.270 nan 0.000 0.447 544 D N 1.174 121.715 120.400 0.234 0.000 2.400 544 D HA -0.046 4.594 4.640 0.001 0.000 0.238 544 D C 0.596 176.892 176.300 -0.006 0.000 1.157 544 D CA 0.198 54.261 54.000 0.105 0.000 0.889 544 D CB 0.860 41.684 40.800 0.039 0.000 1.199 544 D HN 0.381 nan 8.370 nan 0.000 0.436 545 E N 0.259 120.395 120.200 -0.108 0.000 2.169 545 E HA -0.197 4.154 4.350 0.001 0.000 0.202 545 E C 1.139 177.552 176.600 -0.312 0.000 1.016 545 E CA 1.637 57.869 56.400 -0.280 0.000 0.817 545 E CB -0.175 29.429 29.700 -0.160 0.000 0.736 545 E HN 0.413 nan 8.360 nan 0.000 0.462 546 S N -0.247 115.360 115.700 -0.154 0.000 2.767 546 S HA 0.167 4.638 4.470 0.001 0.000 0.253 546 S C 0.654 175.221 174.600 -0.056 0.000 1.082 546 S CA -0.114 58.023 58.200 -0.105 0.000 1.148 546 S CB 0.021 63.188 63.200 -0.055 0.000 0.808 546 S HN 0.210 nan 8.310 nan 0.000 0.466 547 E N 0.061 120.222 120.200 -0.064 0.000 2.568 547 E HA 0.293 4.644 4.350 0.001 0.000 0.220 547 E C -0.365 176.357 176.600 0.203 0.000 0.869 547 E CA -0.111 56.353 56.400 0.107 0.000 1.268 547 E CB 0.967 30.817 29.700 0.250 0.000 1.252 547 E HN 0.732 nan 8.360 nan 0.000 0.606 548 F N -1.184 118.772 119.950 0.010 0.000 2.773 548 F HA 0.684 5.212 4.527 0.001 0.000 0.314 548 F C -1.463 174.338 175.800 0.002 0.000 1.160 548 F CA -1.474 56.529 58.000 0.005 0.000 0.920 548 F CB 1.094 40.097 39.000 0.005 0.000 1.323 548 F HN -0.379 nan 8.300 nan 0.000 0.457 549 R N 1.358 121.957 120.500 0.164 0.000 2.562 549 R HA 0.422 4.762 4.340 0.001 0.000 0.298 549 R C -0.189 176.266 176.300 0.258 0.000 0.961 549 R CA 0.035 56.179 56.100 0.072 0.000 0.881 549 R CB 1.311 31.632 30.300 0.035 0.000 1.159 549 R HN 0.930 nan 8.270 nan 0.000 0.450 550 D N 1.817 122.351 120.400 0.223 0.000 3.084 550 D HA 0.018 4.659 4.640 0.001 0.000 0.294 550 D C -0.361 176.002 176.300 0.105 0.000 1.165 550 D CA -0.098 54.036 54.000 0.224 0.000 1.008 550 D CB 0.306 41.304 40.800 0.330 0.000 1.266 550 D HN 0.396 nan 8.370 nan 0.000 0.449 551 K N 0.545 120.994 120.400 0.081 0.000 3.391 551 K HA -0.137 4.183 4.320 0.001 0.000 0.307 551 K C 0.003 176.634 176.600 0.052 0.000 1.304 551 K CA 0.512 56.828 56.287 0.048 0.000 0.904 551 K CB -1.510 31.009 32.500 0.031 0.000 1.293 551 K HN 0.475 nan 8.250 nan 0.000 0.470 552 L N -0.164 121.102 121.223 0.072 0.000 3.315 552 L HA -0.144 4.197 4.340 0.001 0.000 0.667 552 L C -0.575 176.328 176.870 0.056 0.000 1.285 552 L CA 1.430 56.319 54.840 0.082 0.000 1.127 552 L CB -2.248 39.882 42.059 0.118 0.000 1.759 552 L HN 0.294 nan 8.230 nan 0.000 0.886 553 T N 1.796 116.358 114.554 0.013 0.000 3.262 553 T HA 0.374 4.724 4.350 0.001 0.000 0.374 553 T C -2.056 172.590 174.700 -0.089 0.000 1.504 553 T CA -1.245 60.842 62.100 -0.021 0.000 1.158 553 T CB 0.797 69.652 68.868 -0.022 0.000 1.157 553 T HN 0.176 nan 8.240 nan 0.000 0.644 554 P HA -0.153 nan 4.420 nan 0.000 0.266 554 P C -0.464 176.671 177.300 -0.274 0.000 1.126 554 P CA 0.231 63.096 63.100 -0.392 0.000 0.751 554 P CB 0.073 31.507 31.700 -0.442 0.000 0.719 555 I N 3.271 123.661 120.570 -0.300 0.000 2.311 555 I HA 0.078 4.248 4.170 0.001 0.000 0.297 555 I C 0.995 176.993 176.117 -0.199 0.000 1.131 555 I CA 0.411 61.566 61.300 -0.242 0.000 1.289 555 I CB -0.405 37.419 38.000 -0.293 0.000 1.446 555 I HN 0.229 nan 8.210 nan 0.000 0.524 556 T N 4.495 118.966 114.554 -0.139 0.000 2.780 556 T HA 0.677 5.028 4.350 0.001 0.000 0.294 556 T C -0.083 174.607 174.700 -0.018 0.000 0.949 556 T CA -0.641 61.417 62.100 -0.070 0.000 1.074 556 T CB 0.515 69.351 68.868 -0.053 0.000 0.910 556 T HN 0.145 nan 8.240 nan 0.000 0.501 557 I N 3.757 124.348 120.570 0.036 0.000 2.396 557 I HA 0.511 4.681 4.170 0.001 0.000 0.292 557 I C -0.207 176.028 176.117 0.197 0.000 0.999 557 I CA -0.735 60.618 61.300 0.088 0.000 1.310 557 I CB 0.864 38.921 38.000 0.095 0.000 1.404 557 I HN 0.609 nan 8.210 nan 0.000 0.496 558 F N 6.650 126.598 119.950 -0.004 0.000 2.538 558 F HA 0.736 5.264 4.527 0.001 0.000 0.325 558 F C -0.519 175.278 175.800 -0.004 0.000 1.066 558 F CA -1.189 56.809 58.000 -0.002 0.000 0.946 558 F CB 1.712 40.703 39.000 -0.014 0.000 1.199 558 F HN 0.353 nan 8.300 nan 0.000 0.473 559 M N 4.517 123.709 119.600 -0.681 0.000 2.327 559 M HA 0.423 4.904 4.480 0.001 0.000 0.298 559 M C -1.760 174.095 176.300 -0.743 0.000 1.065 559 M CA -0.110 54.875 55.300 -0.524 0.000 0.916 559 M CB 1.858 34.333 32.600 -0.209 0.000 1.630 559 M HN 0.734 nan 8.290 nan 0.000 0.442 560 E N 2.762 122.692 120.200 -0.450 0.000 2.378 560 E HA 0.738 5.089 4.350 0.001 0.000 0.265 560 E C -2.044 174.480 176.600 -0.127 0.000 0.932 560 E CA -0.700 55.456 56.400 -0.408 0.000 0.795 560 E CB 2.760 32.288 29.700 -0.286 0.000 1.296 560 E HN 0.621 nan 8.360 nan 0.000 0.438 561 Y N -1.657 118.566 120.300 -0.128 0.000 2.661 561 Y HA 0.595 5.146 4.550 0.001 0.000 0.339 561 Y C -1.343 174.561 175.900 0.006 0.000 1.186 561 Y CA -1.157 56.901 58.100 -0.070 0.000 1.137 561 Y CB 1.201 39.568 38.460 -0.154 0.000 1.354 561 Y HN 0.485 nan 8.280 nan 0.000 0.469 562 R N 2.011 122.702 120.500 0.317 0.000 2.692 562 R HA 0.537 4.878 4.340 0.001 0.000 0.269 562 R C -1.697 174.846 176.300 0.405 0.000 1.030 562 R CA -0.839 55.439 56.100 0.296 0.000 0.882 562 R CB 2.090 32.452 30.300 0.104 0.000 1.250 562 R HN 0.774 nan 8.270 nan 0.000 0.465 563 L N 1.074 122.464 121.223 0.278 0.000 2.464 563 L HA 0.427 4.768 4.340 0.001 0.000 0.224 563 L C -0.257 176.590 176.870 -0.038 0.000 1.219 563 L CA 0.933 55.816 54.840 0.072 0.000 0.831 563 L CB 0.439 42.540 42.059 0.070 0.000 1.284 563 L HN 0.733 nan 8.230 nan 0.000 0.522 564 D N -1.549 118.776 120.400 -0.125 0.000 2.609 564 D HA 0.222 4.863 4.640 0.001 0.000 0.239 564 D C -1.050 175.168 176.300 -0.135 0.000 1.229 564 D CA -0.264 53.609 54.000 -0.212 0.000 0.808 564 D CB 1.690 42.336 40.800 -0.256 0.000 1.448 564 D HN 0.391 nan 8.370 nan 0.000 0.433 565 Y N -0.501 119.786 120.300 -0.021 0.000 2.230 565 Y HA 0.468 5.018 4.550 0.001 0.000 0.354 565 Y C 1.061 176.946 175.900 -0.024 0.000 1.343 565 Y CA -1.047 57.042 58.100 -0.017 0.000 1.693 565 Y CB 0.330 38.787 38.460 -0.005 0.000 1.553 565 Y HN 0.428 nan 8.280 nan 0.000 0.599 566 R N -0.746 119.928 120.500 0.289 0.000 3.322 566 R HA -0.149 4.192 4.340 0.001 0.000 0.266 566 R C -0.808 175.533 176.300 0.067 0.000 1.072 566 R CA 1.023 57.217 56.100 0.157 0.000 0.715 566 R CB -2.381 28.028 30.300 0.182 0.000 1.199 566 R HN 1.026 nan 8.270 nan 0.000 0.421 567 T N -2.090 112.497 114.554 0.054 0.000 3.252 567 T HA 0.475 4.826 4.350 0.001 0.000 0.295 567 T C 0.263 174.981 174.700 0.031 0.000 0.897 567 T CA 0.275 62.382 62.100 0.011 0.000 0.905 567 T CB 0.585 69.433 68.868 -0.033 0.000 1.202 567 T HN 0.526 nan 8.240 nan 0.000 0.592 568 A N 1.408 124.259 122.820 0.052 0.000 2.257 568 A HA 0.884 5.204 4.320 0.001 0.000 0.289 568 A C 0.418 178.032 177.584 0.050 0.000 1.095 568 A CA -0.417 51.653 52.037 0.055 0.000 0.836 568 A CB 0.212 19.248 19.000 0.061 0.000 1.111 568 A HN 0.471 nan 8.150 nan 0.000 0.497 569 A N 0.036 122.891 122.820 0.059 0.000 2.363 569 A HA 0.355 4.676 4.320 0.001 0.000 0.270 569 A C 1.115 178.732 177.584 0.054 0.000 1.121 569 A CA 0.237 52.310 52.037 0.060 0.000 0.800 569 A CB -0.001 19.046 19.000 0.077 0.000 1.052 569 A HN 1.021 nan 8.150 nan 0.000 0.493 570 D N 2.007 122.433 120.400 0.043 0.000 2.723 570 D HA -0.202 4.439 4.640 0.001 0.000 0.208 570 D C 0.360 176.677 176.300 0.027 0.000 1.050 570 D CA 2.302 56.320 54.000 0.030 0.000 0.893 570 D CB -0.220 40.597 40.800 0.028 0.000 1.062 570 D HN 0.561 nan 8.370 nan 0.000 0.478 571 T N 1.584 116.165 114.554 0.044 0.000 2.708 571 T HA 0.042 4.393 4.350 0.001 0.000 0.257 571 T C -0.173 174.552 174.700 0.041 0.000 1.002 571 T CA 0.717 62.837 62.100 0.032 0.000 1.269 571 T CB -0.527 68.391 68.868 0.084 0.000 0.966 571 T HN 0.268 nan 8.240 nan 0.000 0.534 572 T N 3.127 117.684 114.554 0.005 0.000 2.348 572 T HA -0.145 4.206 4.350 0.001 0.000 0.523 572 T C 1.144 175.860 174.700 0.025 0.000 0.831 572 T CA 0.334 62.437 62.100 0.005 0.000 2.766 572 T CB -0.877 67.995 68.868 0.006 0.000 1.696 572 T HN 1.084 nan 8.240 nan 0.000 0.448 573 G N 2.992 111.798 108.800 0.011 0.000 2.908 573 G HA2 -0.008 3.953 3.960 0.001 0.000 0.321 573 G HA3 -0.008 3.953 3.960 0.001 0.000 0.321 573 G C 0.387 175.310 174.900 0.039 0.000 0.284 573 G CA -0.301 44.811 45.100 0.020 0.000 1.221 573 G HN 0.843 nan 8.290 nan 0.000 0.228 574 L N 2.687 123.947 121.223 0.062 0.000 2.404 574 L HA 0.178 4.519 4.340 0.001 0.000 0.277 574 L C 1.092 178.000 176.870 0.063 0.000 1.184 574 L CA 0.079 54.962 54.840 0.071 0.000 1.013 574 L CB 0.177 42.294 42.059 0.097 0.000 1.318 574 L HN 0.573 nan 8.230 nan 0.000 0.435 575 Q N 6.135 125.970 119.800 0.058 0.000 2.330 575 Q HA 0.149 4.489 4.340 0.001 0.000 0.279 575 Q C -1.962 174.063 176.000 0.042 0.000 1.024 575 Q CA -1.331 54.511 55.803 0.064 0.000 0.900 575 Q CB 0.414 29.203 28.738 0.085 0.000 1.221 575 Q HN 0.436 nan 8.270 nan 0.000 0.396 576 P HA 0.356 nan 4.420 nan 0.000 0.302 576 P C -0.954 176.368 177.300 0.036 0.000 1.307 576 P CA -0.358 62.754 63.100 0.020 0.000 0.754 576 P CB 0.896 32.620 31.700 0.039 0.000 1.298 577 I N -1.412 119.189 120.570 0.051 0.000 2.775 577 I HA 0.247 4.418 4.170 0.001 0.000 0.295 577 I C -1.325 174.901 176.117 0.182 0.000 1.287 577 I CA -1.350 60.020 61.300 0.117 0.000 1.029 577 I CB 1.396 39.475 38.000 0.133 0.000 1.282 577 I HN 0.011 nan 8.210 nan 0.000 0.426 578 L N 5.368 126.703 121.223 0.188 0.000 2.452 578 L HA 0.267 4.608 4.340 0.001 0.000 0.267 578 L C 0.950 177.921 176.870 0.168 0.000 1.188 578 L CA 0.130 55.081 54.840 0.186 0.000 0.821 578 L CB 0.074 42.234 42.059 0.168 0.000 1.102 578 L HN 0.777 nan 8.230 nan 0.000 0.470 579 N N 1.631 120.407 118.700 0.126 0.000 2.345 579 N HA -0.094 4.647 4.740 0.001 0.000 0.243 579 N C 1.107 176.411 175.510 -0.344 0.000 1.246 579 N CA 0.122 53.160 53.050 -0.020 0.000 0.863 579 N CB 0.988 39.502 38.487 0.045 0.000 1.096 579 N HN 0.689 nan 8.380 nan 0.000 0.446 580 Q N 2.934 122.165 119.800 -0.948 0.000 2.061 580 Q HA -0.155 4.186 4.340 0.001 0.000 0.204 580 Q C 0.547 176.204 176.000 -0.572 0.000 0.984 580 Q CA 1.629 56.827 55.803 -1.007 0.000 0.846 580 Q CB -0.338 27.483 28.738 -1.529 0.000 0.902 580 Q HN 0.662 nan 8.270 nan 0.000 0.421 581 F N 2.610 122.437 119.950 -0.203 0.000 2.954 581 F HA 0.242 4.769 4.527 0.001 0.000 0.300 581 F C -0.179 175.598 175.800 -0.039 0.000 1.206 581 F CA -0.567 57.378 58.000 -0.092 0.000 1.345 581 F CB 0.555 39.520 39.000 -0.057 0.000 1.206 581 F HN 0.033 nan 8.300 nan 0.000 0.537 582 T N -0.866 113.751 114.554 0.104 0.000 2.890 582 T HA 0.416 4.767 4.350 0.001 0.000 0.295 582 T C -2.449 172.296 174.700 0.076 0.000 0.993 582 T CA -2.093 60.068 62.100 0.101 0.000 0.979 582 T CB 1.714 70.642 68.868 0.100 0.000 0.967 582 T HN -0.090 nan 8.240 nan 0.000 0.441 583 P HA 0.386 nan 4.420 nan 0.000 0.275 583 P C 0.348 177.621 177.300 -0.045 0.000 1.227 583 P CA -0.598 62.518 63.100 0.026 0.000 0.781 583 P CB 1.122 32.853 31.700 0.052 0.000 0.906 584 A N 2.970 125.647 122.820 -0.238 0.000 2.307 584 A HA 0.102 4.422 4.320 0.001 0.000 0.218 584 A C 0.428 177.577 177.584 -0.726 0.000 1.228 584 A CA -0.024 51.542 52.037 -0.785 0.000 0.857 584 A CB -0.420 18.168 19.000 -0.686 0.000 0.897 584 A HN 0.530 nan 8.150 nan 0.000 0.495 585 N N 0.004 118.536 118.700 -0.280 0.000 2.314 585 N HA 0.557 5.298 4.740 0.001 0.000 0.294 585 N C -1.701 173.779 175.510 -0.049 0.000 1.029 585 N CA -0.219 52.688 53.050 -0.239 0.000 0.845 585 N CB 2.146 40.667 38.487 0.056 0.000 1.321 585 N HN 0.170 nan 8.380 nan 0.000 0.481 586 I N 1.087 121.586 120.570 -0.118 0.000 2.619 586 I HA 0.506 4.676 4.170 0.001 0.000 0.292 586 I C -1.091 175.056 176.117 0.050 0.000 1.100 586 I CA -0.522 60.799 61.300 0.036 0.000 1.043 586 I CB 1.750 39.791 38.000 0.069 0.000 1.239 586 I HN 0.590 nan 8.210 nan 0.000 0.420 587 S N 6.791 122.599 115.700 0.181 0.000 2.566 587 S HA 0.777 5.248 4.470 0.001 0.000 0.273 587 S C -0.897 173.795 174.600 0.152 0.000 1.157 587 S CA -1.078 57.270 58.200 0.248 0.000 0.938 587 S CB 2.062 65.552 63.200 0.484 0.000 1.087 587 S HN 0.562 nan 8.310 nan 0.000 0.474 588 R N 1.118 121.691 120.500 0.122 0.000 2.856 588 R HA 0.606 4.946 4.340 0.001 0.000 0.258 588 R C -0.520 175.811 176.300 0.051 0.000 1.066 588 R CA -0.708 55.445 56.100 0.088 0.000 1.045 588 R CB 1.173 31.527 30.300 0.091 0.000 1.178 588 R HN 0.820 nan 8.270 nan 0.000 0.499 589 Q N 0.005 119.825 119.800 0.034 0.000 2.342 589 Q HA 0.680 5.021 4.340 0.001 0.000 0.267 589 Q C -0.960 174.995 176.000 -0.074 0.000 1.038 589 Q CA -0.886 54.894 55.803 -0.039 0.000 0.832 589 Q CB 2.602 31.335 28.738 -0.009 0.000 1.323 589 Q HN 0.637 nan 8.270 nan 0.000 0.448 590 A N 1.627 124.310 122.820 -0.228 0.000 2.322 590 A HA 0.732 5.053 4.320 0.001 0.000 0.327 590 A C -1.329 176.025 177.584 -0.384 0.000 1.134 590 A CA -0.517 51.373 52.037 -0.245 0.000 0.831 590 A CB 0.818 19.598 19.000 -0.367 0.000 1.288 590 A HN 0.825 nan 8.150 nan 0.000 0.472 591 H N 0.253 119.257 119.070 -0.110 0.000 3.239 591 H HA 0.323 4.880 4.556 0.001 0.000 0.320 591 H C -0.709 174.627 175.328 0.014 0.000 1.074 591 H CA -0.318 55.732 56.048 0.003 0.000 1.553 591 H CB 0.887 30.722 29.762 0.121 0.000 1.752 591 H HN 0.579 nan 8.280 nan 0.000 0.513 592 I N 3.242 123.871 120.570 0.099 0.000 2.826 592 I HA -0.144 4.027 4.170 0.001 0.000 0.295 592 I C 0.491 176.690 176.117 0.138 0.000 1.213 592 I CA 0.372 61.725 61.300 0.090 0.000 1.436 592 I CB 0.403 38.466 38.000 0.104 0.000 1.348 592 I HN 0.443 nan 8.210 nan 0.000 0.570 593 L N 7.678 128.964 121.223 0.104 0.000 2.513 593 L HA 0.215 4.556 4.340 0.001 0.000 0.272 593 L C -0.689 176.231 176.870 0.083 0.000 1.187 593 L CA 0.146 55.050 54.840 0.107 0.000 0.895 593 L CB 0.450 42.550 42.059 0.069 0.000 1.147 593 L HN 0.492 nan 8.230 nan 0.000 0.483 594 L N 5.230 126.502 121.223 0.081 0.000 2.710 594 L HA 0.335 4.675 4.340 0.001 0.000 0.262 594 L C -0.301 176.576 176.870 0.012 0.000 0.940 594 L CA 0.077 54.942 54.840 0.041 0.000 0.944 594 L CB 1.362 43.448 42.059 0.045 0.000 1.348 594 L HN 0.795 nan 8.230 nan 0.000 0.425 595 D N 1.629 122.029 120.400 0.000 0.000 2.911 595 D HA -0.204 4.437 4.640 0.001 0.000 0.199 595 D C 0.255 176.544 176.300 -0.019 0.000 1.041 595 D CA 1.489 55.479 54.000 -0.016 0.000 1.013 595 D CB -0.868 39.914 40.800 -0.030 0.000 1.093 595 D HN 0.614 nan 8.370 nan 0.000 0.431 596 c N 2.695 121.292 118.600 -0.003 0.000 3.506 596 c HA 0.416 4.987 4.570 0.001 0.000 0.578 596 c C 1.756 175.838 174.090 -0.013 0.000 1.153 596 c CA -0.278 56.049 56.329 -0.003 0.000 1.248 596 c CB -1.299 41.233 42.510 0.037 0.000 1.532 596 c HN 0.392 nan 8.230 nan 0.000 0.646 597 G N 2.215 111.004 108.800 -0.018 0.000 2.164 597 G HA2 0.115 4.076 3.960 0.001 0.000 0.259 597 G HA3 0.115 4.076 3.960 0.001 0.000 0.259 597 G C 1.036 175.921 174.900 -0.025 0.000 0.894 597 G CA 1.208 46.296 45.100 -0.020 0.000 0.961 597 G HN 0.980 nan 8.290 nan 0.000 0.369 598 E N 0.536 120.723 120.200 -0.022 0.000 5.289 598 E HA -0.475 3.875 4.350 0.001 0.000 0.167 598 E C 1.046 177.623 176.600 -0.037 0.000 1.276 598 E CA 2.443 58.828 56.400 -0.025 0.000 2.067 598 E CB -1.767 27.920 29.700 -0.021 0.000 1.871 598 E HN 0.677 nan 8.360 nan 0.000 0.359 599 D N 1.023 121.390 120.400 -0.055 0.000 2.347 599 D HA -0.013 4.628 4.640 0.001 0.000 0.215 599 D C 0.618 176.862 176.300 -0.093 0.000 0.976 599 D CA 0.716 54.666 54.000 -0.084 0.000 0.884 599 D CB 0.036 40.762 40.800 -0.124 0.000 0.915 599 D HN 0.446 nan 8.370 nan 0.000 0.526 600 N N -1.374 117.289 118.700 -0.063 0.000 2.955 600 N HA -0.159 4.582 4.740 0.001 0.000 0.230 600 N C -0.714 174.767 175.510 -0.049 0.000 0.891 600 N CA 0.913 53.939 53.050 -0.041 0.000 1.002 600 N CB -1.204 37.264 38.487 -0.032 0.000 1.063 600 N HN 0.254 nan 8.380 nan 0.000 0.601 601 V N 0.892 120.741 119.914 -0.109 0.000 2.539 601 V HA 0.254 4.374 4.120 0.001 0.000 0.292 601 V C 0.828 176.887 176.094 -0.058 0.000 1.045 601 V CA -0.607 61.611 62.300 -0.137 0.000 0.945 601 V CB 2.032 33.619 31.823 -0.393 0.000 0.993 601 V HN 0.308 nan 8.190 nan 0.000 0.464 602 c N 6.248 124.872 118.600 0.040 0.000 2.203 602 c HA 0.306 4.877 4.570 0.001 0.000 0.413 602 c C 0.791 174.916 174.090 0.057 0.000 1.054 602 c CA -1.138 55.225 56.329 0.057 0.000 1.496 602 c CB -1.464 41.131 42.510 0.142 0.000 1.573 602 c HN 0.852 nan 8.230 nan 0.000 0.498 603 K N 3.875 124.285 120.400 0.016 0.000 2.250 603 K HA 0.412 4.733 4.320 0.001 0.000 0.280 603 K C -2.678 173.943 176.600 0.035 0.000 1.098 603 K CA -0.945 55.377 56.287 0.059 0.000 0.916 603 K CB 0.926 33.471 32.500 0.074 0.000 1.209 603 K HN 0.323 nan 8.250 nan 0.000 0.461 604 P HA 0.118 nan 4.420 nan 0.000 0.282 604 P C -1.217 176.092 177.300 0.014 0.000 1.287 604 P CA -0.659 62.444 63.100 0.005 0.000 0.792 604 P CB 0.861 32.552 31.700 -0.016 0.000 1.163 605 K N 1.023 121.423 120.400 0.001 0.000 2.616 605 K HA 0.419 4.739 4.320 0.001 0.000 0.241 605 K C -1.123 175.474 176.600 -0.004 0.000 0.961 605 K CA -0.488 55.801 56.287 0.003 0.000 0.942 605 K CB 0.061 32.561 32.500 0.001 0.000 1.153 605 K HN 0.351 nan 8.250 nan 0.000 0.452 606 L N 3.982 125.204 121.223 -0.002 0.000 2.322 606 L HA 0.534 4.875 4.340 0.001 0.000 0.279 606 L C -0.217 176.649 176.870 -0.007 0.000 1.036 606 L CA -0.657 54.179 54.840 -0.007 0.000 0.807 606 L CB 1.421 43.478 42.059 -0.005 0.000 1.226 606 L HN 0.642 nan 8.230 nan 0.000 0.433 607 E N 2.526 122.719 120.200 -0.010 0.000 2.343 607 E HA 0.450 4.801 4.350 0.001 0.000 0.286 607 E C -1.288 175.303 176.600 -0.015 0.000 0.915 607 E CA -0.704 55.689 56.400 -0.011 0.000 0.784 607 E CB 1.567 31.260 29.700 -0.011 0.000 1.251 607 E HN 0.294 nan 8.360 nan 0.000 0.407 608 V N 0.179 120.084 119.914 -0.016 0.000 3.336 608 V HA 0.930 5.050 4.120 0.001 0.000 0.314 608 V C 0.205 176.282 176.094 -0.028 0.000 1.088 608 V CA -0.704 61.582 62.300 -0.022 0.000 1.033 608 V CB 1.441 33.252 31.823 -0.020 0.000 1.181 608 V HN 0.827 nan 8.190 nan 0.000 0.449 609 S N -0.576 115.099 115.700 -0.042 0.000 2.604 609 S HA 0.502 4.972 4.470 0.001 0.000 0.296 609 S C -1.810 172.733 174.600 -0.094 0.000 1.097 609 S CA -0.028 58.136 58.200 -0.059 0.000 0.883 609 S CB 1.470 64.642 63.200 -0.048 0.000 1.081 609 S HN 1.887 nan 8.310 nan 0.000 0.448 610 V N 3.788 123.610 119.914 -0.153 0.000 2.623 610 V HA 0.500 4.621 4.120 0.001 0.000 0.304 610 V C -0.014 175.905 176.094 -0.293 0.000 1.054 610 V CA -0.452 61.701 62.300 -0.245 0.000 0.882 610 V CB 1.939 33.549 31.823 -0.354 0.000 1.002 610 V HN 1.027 nan 8.190 nan 0.000 0.424 611 D N 3.178 123.460 120.400 -0.196 0.000 2.384 611 D HA -0.014 4.626 4.640 0.001 0.000 0.222 611 D C 1.377 177.615 176.300 -0.103 0.000 0.976 611 D CA 1.399 55.323 54.000 -0.127 0.000 0.915 611 D CB 0.174 40.934 40.800 -0.067 0.000 0.896 611 D HN 0.861 nan 8.370 nan 0.000 0.523 612 S N 0.014 115.605 115.700 -0.182 0.000 3.490 612 S HA -0.286 4.185 4.470 0.001 0.000 0.301 612 S C -0.097 174.566 174.600 0.104 0.000 1.233 612 S CA 0.632 58.891 58.200 0.098 0.000 0.914 612 S CB -1.754 61.552 63.200 0.177 0.000 1.047 612 S HN 0.578 nan 8.310 nan 0.000 0.602 613 D N 1.262 121.690 120.400 0.047 0.000 2.488 613 D HA 0.320 4.960 4.640 0.001 0.000 0.238 613 D C 0.334 176.671 176.300 0.061 0.000 1.138 613 D CA 1.454 55.479 54.000 0.042 0.000 0.873 613 D CB 0.348 41.163 40.800 0.024 0.000 1.183 613 D HN 0.544 nan 8.370 nan 0.000 0.458 614 Q N 1.729 121.554 119.800 0.042 0.000 2.416 614 Q HA -0.206 4.135 4.340 0.001 0.000 0.353 614 Q C -0.429 175.583 176.000 0.020 0.000 1.408 614 Q CA 0.825 56.647 55.803 0.032 0.000 0.939 614 Q CB -0.913 27.848 28.738 0.039 0.000 1.112 614 Q HN 0.727 nan 8.270 nan 0.000 0.321 615 K N 1.498 121.901 120.400 0.005 0.000 2.574 615 K HA -0.076 4.244 4.320 0.001 0.000 0.193 615 K C 0.533 177.088 176.600 -0.075 0.000 1.035 615 K CA 1.058 57.335 56.287 -0.017 0.000 0.982 615 K CB 0.076 32.569 32.500 -0.012 0.000 0.795 615 K HN 0.506 nan 8.250 nan 0.000 0.491 616 K N 1.013 121.345 120.400 -0.114 0.000 2.502 616 K HA 0.361 4.682 4.320 0.001 0.000 0.257 616 K C -0.819 175.590 176.600 -0.319 0.000 0.938 616 K CA -0.834 55.311 56.287 -0.237 0.000 0.819 616 K CB 1.437 33.742 32.500 -0.326 0.000 1.333 616 K HN 0.048 nan 8.250 nan 0.000 0.434 617 I N -1.362 118.981 120.570 -0.377 0.000 2.582 617 I HA 0.501 4.672 4.170 0.001 0.000 0.292 617 I C -1.165 174.699 176.117 -0.422 0.000 1.066 617 I CA -1.273 59.838 61.300 -0.315 0.000 1.053 617 I CB 1.463 39.389 38.000 -0.123 0.000 1.241 617 I HN 0.449 nan 8.210 nan 0.000 0.421 618 Y N 4.928 125.217 120.300 -0.019 0.000 2.326 618 Y HA 0.559 5.110 4.550 0.001 0.000 0.324 618 Y C 0.358 176.227 175.900 -0.051 0.000 1.291 618 Y CA -0.667 57.410 58.100 -0.037 0.000 1.348 618 Y CB 1.063 39.519 38.460 -0.007 0.000 1.294 618 Y HN 0.421 nan 8.280 nan 0.000 0.525 619 I N 1.567 122.171 120.570 0.056 0.000 2.312 619 I HA 0.401 4.572 4.170 0.001 0.000 0.291 619 I C 0.807 176.958 176.117 0.058 0.000 1.031 619 I CA 0.590 61.871 61.300 -0.032 0.000 1.293 619 I CB 0.532 38.359 38.000 -0.287 0.000 1.403 619 I HN 0.987 nan 8.210 nan 0.000 0.484 620 G N 5.191 114.038 108.800 0.078 0.000 3.753 620 G HA2 -0.183 3.777 3.960 0.001 0.000 0.196 620 G HA3 -0.183 3.777 3.960 0.001 0.000 0.196 620 G C -0.289 174.661 174.900 0.082 0.000 1.538 620 G CA -0.037 45.116 45.100 0.089 0.000 1.040 620 G HN 0.653 nan 8.290 nan 0.000 0.427 621 D N 1.071 121.528 120.400 0.095 0.000 2.487 621 D HA 0.545 5.185 4.640 0.001 0.000 0.262 621 D C -0.935 175.442 176.300 0.128 0.000 1.130 621 D CA -0.638 53.418 54.000 0.093 0.000 1.038 621 D CB 0.584 41.431 40.800 0.078 0.000 1.142 621 D HN 0.007 nan 8.370 nan 0.000 0.575 622 D N 0.100 120.583 120.400 0.138 0.000 2.325 622 D HA 0.167 4.808 4.640 0.001 0.000 0.251 622 D C -0.432 175.948 176.300 0.133 0.000 1.196 622 D CA -0.117 53.992 54.000 0.182 0.000 0.866 622 D CB 0.137 41.058 40.800 0.203 0.000 1.101 622 D HN 0.245 nan 8.370 nan 0.000 0.476 623 N N 3.487 122.257 118.700 0.118 0.000 2.420 623 N HA 0.190 4.930 4.740 0.001 0.000 0.249 623 N C -2.518 173.047 175.510 0.091 0.000 1.033 623 N CA -1.256 51.856 53.050 0.104 0.000 0.944 623 N CB 1.394 39.929 38.487 0.080 0.000 1.113 623 N HN -0.020 nan 8.380 nan 0.000 0.502 624 P HA 0.130 nan 4.420 nan 0.000 0.271 624 P C -0.624 176.736 177.300 0.101 0.000 1.233 624 P CA 0.193 63.345 63.100 0.087 0.000 0.764 624 P CB 0.729 32.470 31.700 0.068 0.000 0.825 625 L N 4.043 125.353 121.223 0.144 0.000 2.404 625 L HA 0.472 4.813 4.340 0.001 0.000 0.272 625 L C -0.269 176.731 176.870 0.217 0.000 0.980 625 L CA -0.400 54.537 54.840 0.161 0.000 0.836 625 L CB 1.682 43.839 42.059 0.163 0.000 1.238 625 L HN 0.332 nan 8.230 nan 0.000 0.408 626 T N 2.636 117.277 114.554 0.144 0.000 2.824 626 T HA 0.609 4.960 4.350 0.001 0.000 0.280 626 T C -0.426 174.335 174.700 0.103 0.000 0.995 626 T CA -0.711 61.470 62.100 0.135 0.000 1.009 626 T CB 1.520 70.433 68.868 0.076 0.000 0.955 626 T HN 0.382 nan 8.240 nan 0.000 0.452 627 L N 3.599 124.887 121.223 0.108 0.000 2.322 627 L HA 0.491 4.831 4.340 0.001 0.000 0.281 627 L C -0.422 176.455 176.870 0.012 0.000 1.014 627 L CA -1.310 53.544 54.840 0.024 0.000 0.815 627 L CB 1.620 43.652 42.059 -0.046 0.000 1.247 627 L HN 0.578 nan 8.230 nan 0.000 0.421 628 I N 5.104 125.658 120.570 -0.027 0.000 2.313 628 I HA 0.160 4.330 4.170 0.001 0.000 0.286 628 I C 0.313 176.399 176.117 -0.051 0.000 1.091 628 I CA -0.464 60.820 61.300 -0.028 0.000 1.216 628 I CB 1.070 39.054 38.000 -0.026 0.000 1.434 628 I HN 0.212 nan 8.210 nan 0.000 0.487 629 V N 3.796 123.688 119.914 -0.036 0.000 2.607 629 V HA 0.490 4.611 4.120 0.001 0.000 0.289 629 V C 0.201 176.275 176.094 -0.033 0.000 1.053 629 V CA -0.676 61.599 62.300 -0.042 0.000 0.996 629 V CB 1.678 33.483 31.823 -0.030 0.000 0.995 629 V HN 0.767 nan 8.190 nan 0.000 0.476 630 K N 3.651 124.029 120.400 -0.037 0.000 2.624 630 K HA 0.697 5.018 4.320 0.001 0.000 0.200 630 K C -0.266 176.319 176.600 -0.026 0.000 1.036 630 K CA -0.275 55.994 56.287 -0.029 0.000 1.029 630 K CB 0.738 33.220 32.500 -0.031 0.000 1.317 630 K HN 1.101 nan 8.250 nan 0.000 0.555 631 A N 3.302 126.108 122.820 -0.023 0.000 2.310 631 A HA 0.466 4.786 4.320 0.001 0.000 0.299 631 A C -0.665 176.907 177.584 -0.020 0.000 1.147 631 A CA -0.389 51.636 52.037 -0.021 0.000 0.818 631 A CB 0.650 19.638 19.000 -0.020 0.000 1.096 631 A HN 0.759 nan 8.150 nan 0.000 0.495 632 Q N 0.973 120.762 119.800 -0.019 0.000 2.590 632 Q HA 0.418 4.759 4.340 0.001 0.000 0.295 632 Q C -1.559 174.428 176.000 -0.021 0.000 0.973 632 Q CA -0.882 54.909 55.803 -0.020 0.000 0.768 632 Q CB 1.481 30.208 28.738 -0.019 0.000 1.479 632 Q HN 0.731 nan 8.270 nan 0.000 0.419 633 N N 0.025 118.710 118.700 -0.024 0.000 2.442 633 N HA 0.164 4.905 4.740 0.001 0.000 0.274 633 N C -0.611 174.883 175.510 -0.025 0.000 1.002 633 N CA -0.033 53.000 53.050 -0.028 0.000 0.910 633 N CB 1.366 39.829 38.487 -0.040 0.000 1.244 633 N HN 0.494 nan 8.380 nan 0.000 0.492 634 Q N 1.794 121.582 119.800 -0.020 0.000 2.217 634 Q HA 0.358 4.698 4.340 0.001 0.000 0.217 634 Q C 0.407 176.397 176.000 -0.017 0.000 0.844 634 Q CA -0.093 55.699 55.803 -0.018 0.000 0.957 634 Q CB 1.014 29.745 28.738 -0.012 0.000 1.127 634 Q HN 0.726 nan 8.270 nan 0.000 0.503 635 G N -0.514 108.274 108.800 -0.020 0.000 2.736 635 G HA2 0.402 4.362 3.960 0.001 0.000 0.229 635 G HA3 0.402 4.362 3.960 0.001 0.000 0.229 635 G C 0.001 174.880 174.900 -0.035 0.000 1.380 635 G CA -0.450 44.639 45.100 -0.019 0.000 1.040 635 G HN 0.249 nan 8.290 nan 0.000 0.568 636 E N -0.494 119.682 120.200 -0.041 0.000 4.416 636 E HA 0.395 4.745 4.350 0.001 0.000 0.416 636 E C 0.934 177.464 176.600 -0.117 0.000 1.099 636 E CA -0.386 55.974 56.400 -0.068 0.000 2.560 636 E CB -0.641 29.024 29.700 -0.058 0.000 1.873 636 E HN 0.560 nan 8.360 nan 0.000 0.726 637 G N -0.493 108.196 108.800 -0.186 0.000 2.287 637 G HA2 0.278 4.239 3.960 0.001 0.000 0.235 637 G HA3 0.278 4.239 3.960 0.001 0.000 0.235 637 G C -0.482 174.179 174.900 -0.398 0.000 1.258 637 G CA 0.235 45.115 45.100 -0.367 0.000 0.884 637 G HN 0.516 nan 8.290 nan 0.000 0.518 638 A N 3.023 125.610 122.820 -0.387 0.000 2.709 638 A HA 0.587 4.908 4.320 0.001 0.000 0.332 638 A C -0.423 177.014 177.584 -0.245 0.000 1.241 638 A CA -0.749 51.152 52.037 -0.226 0.000 0.782 638 A CB 0.236 19.171 19.000 -0.108 0.000 1.109 638 A HN 0.641 nan 8.150 nan 0.000 0.472 639 Y N 1.065 121.268 120.300 -0.161 0.000 2.610 639 Y HA 0.204 4.754 4.550 0.001 0.000 0.332 639 Y C 0.949 176.784 175.900 -0.109 0.000 1.201 639 Y CA 0.801 58.738 58.100 -0.271 0.000 1.465 639 Y CB 0.079 38.205 38.460 -0.558 0.000 1.283 639 Y HN 0.842 nan 8.280 nan 0.000 0.563 640 E N -0.287 119.980 120.200 0.113 0.000 2.273 640 E HA -0.197 4.154 4.350 0.001 0.000 0.177 640 E C -0.476 176.156 176.600 0.053 0.000 1.511 640 E CA 0.113 56.574 56.400 0.101 0.000 0.675 640 E CB -0.950 28.825 29.700 0.125 0.000 1.094 640 E HN 0.674 nan 8.360 nan 0.000 0.348 641 A N 2.868 125.702 122.820 0.025 0.000 2.322 641 A HA 0.542 4.862 4.320 0.001 0.000 0.269 641 A C 0.433 178.020 177.584 0.004 0.000 1.094 641 A CA 0.242 52.283 52.037 0.006 0.000 0.807 641 A CB 0.617 19.608 19.000 -0.014 0.000 1.047 641 A HN 0.432 nan 8.150 nan 0.000 0.487 642 E N 1.101 121.299 120.200 -0.003 0.000 2.400 642 E HA 0.397 4.747 4.350 0.001 0.000 0.285 642 E C -1.929 174.659 176.600 -0.020 0.000 1.005 642 E CA -0.876 55.516 56.400 -0.013 0.000 0.816 642 E CB 0.731 30.424 29.700 -0.011 0.000 1.220 642 E HN 0.536 nan 8.360 nan 0.000 0.426 643 L N 2.845 124.050 121.223 -0.031 0.000 2.350 643 L HA 0.454 4.795 4.340 0.001 0.000 0.275 643 L C -1.023 175.818 176.870 -0.048 0.000 1.099 643 L CA -0.471 54.348 54.840 -0.035 0.000 0.808 643 L CB 0.980 43.015 42.059 -0.039 0.000 1.149 643 L HN 0.595 nan 8.230 nan 0.000 0.442 644 I N 6.796 127.342 120.570 -0.039 0.000 2.537 644 I HA 0.231 4.401 4.170 0.001 0.000 0.276 644 I C -0.619 175.478 176.117 -0.034 0.000 1.063 644 I CA -0.369 60.904 61.300 -0.046 0.000 1.144 644 I CB 1.242 39.222 38.000 -0.034 0.000 1.252 644 I HN 0.256 nan 8.210 nan 0.000 0.480 645 V N 4.950 124.837 119.914 -0.045 0.000 2.406 645 V HA 0.311 4.431 4.120 0.001 0.000 0.272 645 V C 0.750 176.853 176.094 0.016 0.000 1.043 645 V CA -0.251 62.046 62.300 -0.005 0.000 0.915 645 V CB 1.390 33.217 31.823 0.006 0.000 0.988 645 V HN 0.683 nan 8.190 nan 0.000 0.466 646 S N 6.391 122.129 115.700 0.064 0.000 2.499 646 S HA 0.729 5.200 4.470 0.001 0.000 0.279 646 S C -0.180 174.520 174.600 0.165 0.000 1.219 646 S CA -0.419 57.818 58.200 0.063 0.000 1.062 646 S CB 0.815 64.038 63.200 0.037 0.000 0.978 646 S HN 0.694 nan 8.310 nan 0.000 0.489 647 I N 0.688 121.329 120.570 0.120 0.000 2.828 647 I HA 0.741 4.912 4.170 0.001 0.000 0.302 647 I C -2.698 173.434 176.117 0.025 0.000 1.101 647 I CA -2.777 58.613 61.300 0.150 0.000 1.031 647 I CB 2.156 40.348 38.000 0.319 0.000 1.231 647 I HN 0.367 nan 8.210 nan 0.000 0.427 648 P HA 0.192 nan 4.420 nan 0.000 0.297 648 P C 0.390 177.711 177.300 0.035 0.000 1.303 648 P CA -0.390 62.673 63.100 -0.061 0.000 0.753 648 P CB 1.145 32.745 31.700 -0.166 0.000 1.281 649 L N -0.854 120.387 121.223 0.030 0.000 2.551 649 L HA -0.082 4.259 4.340 0.001 0.000 0.228 649 L C 1.667 178.600 176.870 0.105 0.000 1.153 649 L CA 1.516 56.401 54.840 0.075 0.000 0.851 649 L CB -0.902 41.190 42.059 0.055 0.000 0.959 649 L HN 0.439 nan 8.230 nan 0.000 0.451 650 Q N -2.381 117.469 119.800 0.082 0.000 2.088 650 Q HA 0.370 4.711 4.340 0.001 0.000 0.270 650 Q C 0.782 176.804 176.000 0.036 0.000 0.854 650 Q CA 0.538 56.405 55.803 0.106 0.000 1.104 650 Q CB -0.161 28.643 28.738 0.109 0.000 1.251 650 Q HN 0.136 nan 8.270 nan 0.000 0.436 651 A N 1.385 124.274 122.820 0.116 0.000 1.849 651 A HA 0.156 4.476 4.320 0.001 0.000 0.214 651 A C -0.306 177.462 177.584 0.307 0.000 1.269 651 A CA 1.036 53.204 52.037 0.219 0.000 0.605 651 A CB -0.294 18.910 19.000 0.340 0.000 0.937 651 A HN 0.446 nan 8.150 nan 0.000 0.461 652 D N -2.270 118.393 120.400 0.438 0.000 4.847 652 D HA -0.133 4.507 4.640 0.001 0.000 0.237 652 D C -0.580 175.921 176.300 0.334 0.000 1.164 652 D CA 0.762 54.959 54.000 0.328 0.000 1.196 652 D CB -1.353 39.505 40.800 0.097 0.000 0.717 652 D HN 0.395 nan 8.370 nan 0.000 0.348 653 F N 2.883 122.938 119.950 0.175 0.000 2.504 653 F HA 0.325 4.853 4.527 0.001 0.000 0.369 653 F C 0.968 176.640 175.800 -0.214 0.000 1.082 653 F CA -0.324 57.527 58.000 -0.247 0.000 1.216 653 F CB 0.251 39.284 39.000 0.054 0.000 1.108 653 F HN 0.397 nan 8.300 nan 0.000 0.554 654 I N 3.893 123.897 120.570 -0.942 0.000 2.272 654 I HA 0.225 4.396 4.170 0.001 0.000 0.235 654 I C 1.434 176.876 176.117 -1.125 0.000 1.071 654 I CA 0.956 61.806 61.300 -0.751 0.000 1.374 654 I CB -0.654 37.069 38.000 -0.461 0.000 1.121 654 I HN 0.739 nan 8.210 nan 0.000 0.420 655 G N -0.850 107.115 108.800 -1.390 0.000 2.427 655 G HA2 0.413 4.373 3.960 0.001 0.000 0.306 655 G HA3 0.413 4.373 3.960 0.001 0.000 0.306 655 G C -0.564 174.116 174.900 -0.367 0.000 1.280 655 G CA -0.307 44.216 45.100 -0.961 0.000 0.837 655 G HN -0.085 nan 8.290 nan 0.000 0.482 656 V N -0.887 119.022 119.914 -0.008 0.000 5.415 656 V HA 0.657 4.778 4.120 0.001 0.000 0.236 656 V C 0.342 176.434 176.094 -0.003 0.000 1.312 656 V CA 0.180 62.529 62.300 0.082 0.000 0.815 656 V CB 0.455 32.332 31.823 0.090 0.000 1.250 656 V HN 1.184 nan 8.190 nan 0.000 0.345 657 V N -0.224 119.694 119.914 0.007 0.000 2.671 657 V HA 0.452 4.573 4.120 0.001 0.000 0.292 657 V C 0.051 176.144 176.094 -0.003 0.000 1.115 657 V CA -0.331 61.965 62.300 -0.005 0.000 0.918 657 V CB 1.589 33.415 31.823 0.005 0.000 1.036 657 V HN 0.685 nan 8.190 nan 0.000 0.445 658 R N 2.804 123.298 120.500 -0.010 0.000 2.221 658 R HA 0.173 4.513 4.340 0.001 0.000 0.195 658 R C 1.171 177.467 176.300 -0.007 0.000 0.956 658 R CA 0.921 57.017 56.100 -0.007 0.000 1.064 658 R CB 0.039 30.333 30.300 -0.011 0.000 1.049 658 R HN 0.841 nan 8.270 nan 0.000 0.534 659 N N 1.360 120.054 118.700 -0.010 0.000 2.626 659 N HA -0.068 4.672 4.740 0.001 0.000 0.226 659 N C -0.583 174.924 175.510 -0.004 0.000 1.376 659 N CA 0.153 53.199 53.050 -0.007 0.000 0.894 659 N CB -0.085 38.396 38.487 -0.010 0.000 1.218 659 N HN 0.024 nan 8.380 nan 0.000 0.492 660 N N 0.189 118.887 118.700 -0.003 0.000 2.493 660 N HA 0.021 4.762 4.740 0.001 0.000 0.279 660 N C -0.407 175.102 175.510 -0.001 0.000 1.082 660 N CA -0.299 52.751 53.050 -0.001 0.000 0.963 660 N CB 1.493 39.980 38.487 0.001 0.000 1.627 660 N HN 0.043 nan 8.380 nan 0.000 0.499 661 E N 1.727 121.926 120.200 -0.001 0.000 2.427 661 E HA 0.048 4.399 4.350 0.001 0.000 0.196 661 E C 1.057 177.656 176.600 -0.002 0.000 1.028 661 E CA 0.468 56.867 56.400 -0.002 0.000 0.864 661 E CB 0.367 30.066 29.700 -0.002 0.000 0.813 661 E HN 0.630 nan 8.360 nan 0.000 0.514 662 A N 0.205 123.024 122.820 -0.001 0.000 2.044 662 A HA 0.160 4.481 4.320 0.001 0.000 0.213 662 A C 1.239 178.822 177.584 -0.002 0.000 1.169 662 A CA 0.000 52.036 52.037 -0.002 0.000 0.724 662 A CB 0.153 19.152 19.000 -0.002 0.000 0.840 662 A HN 0.057 nan 8.150 nan 0.000 0.463 663 L N 0.038 121.261 121.223 -0.000 0.000 2.399 663 L HA 0.592 4.932 4.340 0.001 0.000 0.266 663 L C 0.487 177.359 176.870 0.002 0.000 1.114 663 L CA -0.687 54.154 54.840 0.001 0.000 0.804 663 L CB 1.312 43.373 42.059 0.004 0.000 1.146 663 L HN 0.218 nan 8.230 nan 0.000 0.451 664 A N 1.838 124.660 122.820 0.003 0.000 2.303 664 A HA 0.609 4.930 4.320 0.001 0.000 0.317 664 A C -0.194 177.395 177.584 0.010 0.000 1.149 664 A CA -0.608 51.431 52.037 0.004 0.000 0.822 664 A CB 0.521 19.521 19.000 0.001 0.000 1.131 664 A HN 0.751 nan 8.150 nan 0.000 0.493 665 R N 1.669 122.175 120.500 0.009 0.000 3.171 665 R HA 0.352 4.692 4.340 0.001 0.000 0.241 665 R C -0.738 175.572 176.300 0.018 0.000 1.421 665 R CA 0.031 56.140 56.100 0.015 0.000 1.444 665 R CB -0.032 30.274 30.300 0.011 0.000 1.247 665 R HN 0.650 nan 8.270 nan 0.000 0.636 666 L N 0.431 121.667 121.223 0.022 0.000 2.452 666 L HA 0.126 4.466 4.340 0.001 0.000 0.267 666 L C 0.762 177.647 176.870 0.025 0.000 1.188 666 L CA -0.072 54.778 54.840 0.017 0.000 0.821 666 L CB 1.093 43.157 42.059 0.009 0.000 1.102 666 L HN 0.459 nan 8.230 nan 0.000 0.470 667 S N 0.262 115.970 115.700 0.014 0.000 2.930 667 S HA 0.061 4.532 4.470 0.001 0.000 0.257 667 S C 0.095 174.701 174.600 0.010 0.000 1.208 667 S CA -0.557 57.654 58.200 0.018 0.000 1.233 667 S CB -0.772 62.434 63.200 0.011 0.000 0.900 667 S HN 0.498 nan 8.310 nan 0.000 0.472 668 c N 2.860 121.467 118.600 0.012 0.000 2.642 668 c HA 0.586 5.156 4.570 0.001 0.000 0.420 668 c C 1.015 175.083 174.090 -0.037 0.000 1.349 668 c CA -0.636 55.658 56.329 -0.059 0.000 1.821 668 c CB -1.203 41.249 42.510 -0.096 0.000 2.637 668 c HN 0.687 nan 8.230 nan 0.000 0.605 669 A N 2.724 125.467 122.820 -0.129 0.000 2.515 669 A HA 0.724 5.045 4.320 0.001 0.000 0.298 669 A C -0.962 176.563 177.584 -0.098 0.000 1.059 669 A CA -0.443 51.580 52.037 -0.025 0.000 0.698 669 A CB 0.733 19.749 19.000 0.027 0.000 1.289 669 A HN 0.705 nan 8.150 nan 0.000 0.404 670 F N 1.589 121.492 119.950 -0.080 0.000 2.389 670 F HA 0.655 5.183 4.527 0.001 0.000 0.337 670 F C 0.390 176.182 175.800 -0.013 0.000 1.112 670 F CA 0.676 58.647 58.000 -0.047 0.000 1.192 670 F CB 0.805 39.873 39.000 0.113 0.000 1.185 670 F HN 0.646 nan 8.300 nan 0.000 0.552 671 K N 2.272 122.476 120.400 -0.325 0.000 2.578 671 K HA 0.434 4.755 4.320 0.001 0.000 0.269 671 K C -1.882 174.622 176.600 -0.160 0.000 0.941 671 K CA -0.637 55.599 56.287 -0.085 0.000 0.847 671 K CB 1.815 34.267 32.500 -0.079 0.000 1.397 671 K HN 0.730 nan 8.250 nan 0.000 0.422 672 T N -0.038 114.527 114.554 0.018 0.000 2.991 672 T HA 0.403 4.754 4.350 0.001 0.000 0.303 672 T C -0.200 174.515 174.700 0.026 0.000 1.015 672 T CA -0.605 61.511 62.100 0.027 0.000 1.007 672 T CB 1.816 70.755 68.868 0.119 0.000 1.034 672 T HN 0.659 nan 8.240 nan 0.000 0.446 673 E N 2.289 122.494 120.200 0.009 0.000 2.444 673 E HA 0.324 4.675 4.350 0.001 0.000 0.209 673 E C 0.421 177.032 176.600 0.018 0.000 0.806 673 E CA 0.130 56.538 56.400 0.012 0.000 1.240 673 E CB 0.650 30.354 29.700 0.006 0.000 1.238 673 E HN 0.697 nan 8.360 nan 0.000 0.591 674 N N -0.997 117.713 118.700 0.015 0.000 2.989 674 N HA 0.186 4.927 4.740 0.001 0.000 0.338 674 N C -0.944 174.581 175.510 0.026 0.000 1.369 674 N CA -0.421 52.642 53.050 0.020 0.000 0.794 674 N CB 0.864 39.359 38.487 0.014 0.000 1.359 674 N HN -0.265 nan 8.380 nan 0.000 0.609 675 Q N -0.038 119.779 119.800 0.027 0.000 2.516 675 Q HA 0.207 4.548 4.340 0.001 0.000 0.245 675 Q C -0.913 175.102 176.000 0.024 0.000 0.958 675 Q CA 0.313 56.134 55.803 0.031 0.000 0.959 675 Q CB -0.455 28.301 28.738 0.030 0.000 1.403 675 Q HN 0.343 nan 8.270 nan 0.000 0.405 676 T N -0.628 113.938 114.554 0.020 0.000 3.041 676 T HA 0.549 4.900 4.350 0.001 0.000 0.321 676 T C -1.346 173.352 174.700 -0.004 0.000 1.184 676 T CA -0.940 61.164 62.100 0.007 0.000 1.050 676 T CB 0.835 69.699 68.868 -0.007 0.000 1.159 676 T HN 0.296 nan 8.240 nan 0.000 0.469 677 R N 3.390 123.885 120.500 -0.009 0.000 2.460 677 R HA 0.750 5.091 4.340 0.001 0.000 0.303 677 R C -0.531 175.667 176.300 -0.170 0.000 0.968 677 R CA -0.916 55.148 56.100 -0.059 0.000 0.889 677 R CB 1.705 32.059 30.300 0.091 0.000 1.123 677 R HN 0.795 nan 8.270 nan 0.000 0.455 678 Q N -0.106 119.449 119.800 -0.408 0.000 2.647 678 Q HA 0.355 4.696 4.340 0.001 0.000 0.283 678 Q C -1.694 174.000 176.000 -0.508 0.000 0.943 678 Q CA -1.009 54.593 55.803 -0.335 0.000 0.813 678 Q CB 1.421 30.054 28.738 -0.176 0.000 1.477 678 Q HN 0.304 nan 8.270 nan 0.000 0.393 679 V N 1.504 121.213 119.914 -0.342 0.000 2.483 679 V HA 0.664 4.785 4.120 0.001 0.000 0.295 679 V C 0.157 176.093 176.094 -0.264 0.000 1.035 679 V CA -0.501 61.559 62.300 -0.401 0.000 0.896 679 V CB 1.351 32.904 31.823 -0.450 0.000 0.986 679 V HN 0.651 nan 8.190 nan 0.000 0.447 680 V N 1.813 121.579 119.914 -0.247 0.000 2.960 680 V HA 0.880 5.000 4.120 0.001 0.000 0.315 680 V C -0.595 175.415 176.094 -0.140 0.000 1.087 680 V CA -0.614 61.596 62.300 -0.150 0.000 0.982 680 V CB 1.818 33.580 31.823 -0.102 0.000 1.039 680 V HN 0.920 nan 8.190 nan 0.000 0.437 681 c N 2.108 120.655 118.600 -0.087 0.000 2.782 681 c HA 0.537 5.108 4.570 0.001 0.000 0.328 681 c C -0.903 173.167 174.090 -0.033 0.000 1.145 681 c CA -0.520 55.772 56.329 -0.061 0.000 1.358 681 c CB 1.246 43.720 42.510 -0.059 0.000 1.841 681 c HN 1.008 nan 8.230 nan 0.000 0.477 682 D N 1.671 122.059 120.400 -0.019 0.000 2.383 682 D HA 0.350 4.991 4.640 0.001 0.000 0.252 682 D C 0.122 176.417 176.300 -0.008 0.000 1.166 682 D CA -0.028 53.968 54.000 -0.007 0.000 0.879 682 D CB 0.728 41.528 40.800 0.000 0.000 1.164 682 D HN 0.282 nan 8.370 nan 0.000 0.462 683 L N 2.105 123.323 121.223 -0.008 0.000 2.984 683 L HA 0.356 4.697 4.340 0.001 0.000 0.246 683 L C 0.712 177.576 176.870 -0.011 0.000 1.268 683 L CA 0.040 54.873 54.840 -0.012 0.000 1.054 683 L CB -0.184 41.866 42.059 -0.016 0.000 1.393 683 L HN 0.660 nan 8.230 nan 0.000 0.532 684 G N -0.111 108.686 108.800 -0.004 0.000 2.999 684 G HA2 -0.298 3.663 3.960 0.001 0.000 0.686 684 G HA3 -0.298 3.663 3.960 0.001 0.000 0.686 684 G C 0.403 175.307 174.900 0.006 0.000 1.057 684 G CA 0.157 45.256 45.100 -0.001 0.000 0.784 684 G HN 0.374 nan 8.290 nan 0.000 0.575 685 N N 1.575 120.292 118.700 0.028 0.000 2.000 685 N HA -0.032 4.709 4.740 0.001 0.000 0.197 685 N C -1.482 174.042 175.510 0.024 0.000 1.076 685 N CA 1.614 54.703 53.050 0.065 0.000 0.869 685 N CB -0.005 38.555 38.487 0.122 0.000 1.068 685 N HN 0.482 nan 8.380 nan 0.000 0.426 686 P HA 0.073 nan 4.420 nan 0.000 0.268 686 P C -1.007 176.236 177.300 -0.095 0.000 1.541 686 P CA 0.339 63.378 63.100 -0.102 0.000 1.093 686 P CB 0.331 31.987 31.700 -0.073 0.000 1.551 687 M N 4.161 123.701 119.600 -0.099 0.000 2.869 687 M HA 0.030 4.511 4.480 0.001 0.000 0.299 687 M C 0.289 176.536 176.300 -0.089 0.000 1.508 687 M CA -0.015 55.242 55.300 -0.072 0.000 1.551 687 M CB -0.244 32.322 32.600 -0.057 0.000 1.384 687 M HN 0.111 nan 8.290 nan 0.000 0.491 688 K N 2.237 122.590 120.400 -0.078 0.000 2.505 688 K HA -0.021 4.300 4.320 0.001 0.000 0.272 688 K C 0.214 176.774 176.600 -0.065 0.000 0.963 688 K CA 0.382 56.623 56.287 -0.076 0.000 0.932 688 K CB 0.048 32.516 32.500 -0.053 0.000 0.924 688 K HN 0.771 nan 8.250 nan 0.000 0.520 689 A N 0.354 123.138 122.820 -0.062 0.000 2.483 689 A HA 0.377 4.698 4.320 0.001 0.000 0.238 689 A C 1.360 178.922 177.584 -0.036 0.000 1.070 689 A CA 0.678 52.686 52.037 -0.049 0.000 0.770 689 A CB -0.356 18.617 19.000 -0.045 0.000 1.008 689 A HN 0.893 nan 8.150 nan 0.000 0.497 690 G N 1.316 110.098 108.800 -0.031 0.000 2.196 690 G HA2 -0.269 3.692 3.960 0.001 0.000 0.268 690 G HA3 -0.269 3.692 3.960 0.001 0.000 0.268 690 G C 0.580 175.466 174.900 -0.024 0.000 0.975 690 G CA 0.947 46.033 45.100 -0.024 0.000 0.648 690 G HN 1.299 nan 8.290 nan 0.000 0.538 691 T N 1.167 115.704 114.554 -0.028 0.000 2.758 691 T HA 0.337 4.688 4.350 0.001 0.000 0.281 691 T C 0.313 174.999 174.700 -0.023 0.000 0.963 691 T CA 0.921 63.006 62.100 -0.026 0.000 1.201 691 T CB 0.887 69.737 68.868 -0.031 0.000 0.906 691 T HN 0.571 nan 8.240 nan 0.000 0.528 692 Q N 4.044 123.833 119.800 -0.019 0.000 2.316 692 Q HA 0.621 4.961 4.340 0.001 0.000 0.264 692 Q C -1.285 174.705 176.000 -0.016 0.000 0.987 692 Q CA -0.757 55.036 55.803 -0.017 0.000 0.852 692 Q CB 0.791 29.519 28.738 -0.016 0.000 1.287 692 Q HN 0.602 nan 8.270 nan 0.000 0.448 693 L N 3.853 125.067 121.223 -0.016 0.000 2.370 693 L HA 0.630 4.970 4.340 0.001 0.000 0.266 693 L C -1.321 175.541 176.870 -0.014 0.000 1.002 693 L CA -1.154 53.678 54.840 -0.014 0.000 0.818 693 L CB 2.096 44.147 42.059 -0.013 0.000 1.325 693 L HN 0.555 nan 8.230 nan 0.000 0.418 694 L N 2.576 123.792 121.223 -0.011 0.000 2.568 694 L HA 0.793 5.134 4.340 0.001 0.000 0.262 694 L C -0.724 176.142 176.870 -0.007 0.000 0.980 694 L CA 0.088 54.921 54.840 -0.012 0.000 0.882 694 L CB 1.241 43.292 42.059 -0.013 0.000 1.198 694 L HN 0.724 nan 8.230 nan 0.000 0.425 695 A N 2.661 125.479 122.820 -0.004 0.000 2.414 695 A HA 1.012 5.332 4.320 0.001 0.000 0.278 695 A C -0.291 177.301 177.584 0.013 0.000 1.228 695 A CA -0.237 51.804 52.037 0.006 0.000 0.857 695 A CB 1.415 20.422 19.000 0.012 0.000 1.389 695 A HN 0.862 nan 8.150 nan 0.000 0.452 696 G N 0.043 108.860 108.800 0.027 0.000 2.626 696 G HA2 0.545 4.506 3.960 0.001 0.000 0.304 696 G HA3 0.545 4.506 3.960 0.001 0.000 0.304 696 G C -1.251 173.691 174.900 0.070 0.000 1.385 696 G CA -0.262 44.861 45.100 0.040 0.000 0.957 696 G HN 0.370 nan 8.290 nan 0.000 0.504 697 L N 3.294 124.586 121.223 0.114 0.000 2.295 697 L HA 0.442 4.783 4.340 0.001 0.000 0.281 697 L C 0.635 177.614 176.870 0.181 0.000 1.018 697 L CA -0.585 54.361 54.840 0.178 0.000 0.841 697 L CB 0.980 43.200 42.059 0.268 0.000 1.218 697 L HN 0.738 nan 8.230 nan 0.000 0.424 698 R N 2.120 122.606 120.500 -0.024 0.000 2.457 698 R HA 0.801 5.141 4.340 0.001 0.000 0.284 698 R C -1.072 175.058 176.300 -0.283 0.000 1.024 698 R CA -0.440 55.655 56.100 -0.008 0.000 1.025 698 R CB 1.168 31.437 30.300 -0.052 0.000 1.063 698 R HN 0.176 nan 8.270 nan 0.000 0.493 699 F N -0.534 119.428 119.950 0.019 0.000 2.849 699 F HA 0.512 5.040 4.527 0.001 0.000 0.341 699 F C -0.025 175.775 175.800 -0.000 0.000 1.185 699 F CA -1.169 56.855 58.000 0.041 0.000 1.007 699 F CB 2.370 41.441 39.000 0.118 0.000 1.454 699 F HN 0.514 nan 8.300 nan 0.000 0.518 700 S N 0.825 116.641 115.700 0.193 0.000 2.511 700 S HA 0.444 4.915 4.470 0.001 0.000 0.233 700 S C -1.614 172.907 174.600 -0.133 0.000 1.104 700 S CA -0.506 57.717 58.200 0.038 0.000 1.129 700 S CB 0.441 63.649 63.200 0.013 0.000 1.159 700 S HN 0.363 nan 8.310 nan 0.000 0.451 701 V N 6.997 126.895 119.914 -0.026 0.000 2.479 701 V HA 0.267 4.388 4.120 0.001 0.000 0.281 701 V C 0.445 176.517 176.094 -0.036 0.000 1.031 701 V CA -0.082 62.177 62.300 -0.069 0.000 1.038 701 V CB -0.165 31.662 31.823 0.005 0.000 0.981 701 V HN 0.727 nan 8.190 nan 0.000 0.478 702 H N 4.702 123.813 119.070 0.069 0.000 2.505 702 H HA 0.254 4.810 4.556 0.001 0.000 0.355 702 H C 0.806 176.153 175.328 0.031 0.000 1.179 702 H CA -0.715 55.364 56.048 0.051 0.000 1.343 702 H CB 1.281 31.074 29.762 0.051 0.000 1.501 702 H HN 0.682 nan 8.280 nan 0.000 0.569 703 Q N 1.315 121.203 119.800 0.147 0.000 1.961 703 Q HA -0.100 4.241 4.340 0.001 0.000 0.197 703 Q C 0.010 176.040 176.000 0.050 0.000 0.977 703 Q CA 1.008 56.853 55.803 0.070 0.000 0.830 703 Q CB -0.016 28.754 28.738 0.054 0.000 0.896 703 Q HN 0.763 nan 8.270 nan 0.000 0.437 704 Q N 0.352 120.190 119.800 0.064 0.000 2.493 704 Q HA -0.179 4.161 4.340 0.001 0.000 0.276 704 Q C 0.005 176.045 176.000 0.065 0.000 1.041 704 Q CA 0.629 56.466 55.803 0.056 0.000 0.988 704 Q CB -1.745 27.018 28.738 0.042 0.000 1.287 704 Q HN 0.603 nan 8.270 nan 0.000 0.530 705 S N -0.669 115.088 115.700 0.094 0.000 3.927 705 S HA -0.343 4.127 4.470 0.001 0.000 0.618 705 S C 1.207 175.912 174.600 0.174 0.000 2.201 705 S CA 1.722 60.027 58.200 0.175 0.000 4.160 705 S CB -0.609 62.697 63.200 0.176 0.000 0.266 705 S HN 0.636 nan 8.310 nan 0.000 0.760 706 E N 1.085 121.440 120.200 0.257 0.000 2.007 706 E HA -0.176 4.175 4.350 0.001 0.000 0.203 706 E C 1.500 178.159 176.600 0.098 0.000 1.020 706 E CA 1.635 58.179 56.400 0.241 0.000 0.845 706 E CB -0.548 29.267 29.700 0.191 0.000 0.779 706 E HN 0.827 nan 8.360 nan 0.000 0.466 707 M N 1.648 121.290 119.600 0.069 0.000 2.299 707 M HA -0.328 4.153 4.480 0.001 0.000 0.180 707 M C -0.988 175.314 176.300 0.003 0.000 0.826 707 M CA 0.897 56.214 55.300 0.028 0.000 0.503 707 M CB -0.986 31.626 32.600 0.020 0.000 1.063 707 M HN 0.245 nan 8.290 nan 0.000 0.886 708 D N -1.268 119.137 120.400 0.009 0.000 3.632 708 D HA -0.202 4.438 4.640 0.001 0.000 0.193 708 D C 0.536 176.822 176.300 -0.023 0.000 1.293 708 D CA 1.481 55.475 54.000 -0.010 0.000 1.100 708 D CB -0.840 39.942 40.800 -0.029 0.000 0.619 708 D HN 0.610 nan 8.370 nan 0.000 0.733 709 T N -1.963 112.562 114.554 -0.048 0.000 3.029 709 T HA 0.293 4.644 4.350 0.001 0.000 0.256 709 T C 0.087 174.730 174.700 -0.095 0.000 0.914 709 T CA 1.321 63.381 62.100 -0.067 0.000 0.880 709 T CB -0.020 68.816 68.868 -0.053 0.000 1.246 709 T HN 0.620 nan 8.240 nan 0.000 0.523 710 S N 0.557 116.194 115.700 -0.104 0.000 2.697 710 S HA 0.809 5.279 4.470 0.001 0.000 0.289 710 S C -1.033 173.465 174.600 -0.171 0.000 1.149 710 S CA -0.525 57.593 58.200 -0.136 0.000 0.850 710 S CB 1.825 64.948 63.200 -0.127 0.000 1.151 710 S HN 0.644 nan 8.310 nan 0.000 0.491 711 V N -0.335 119.439 119.914 -0.234 0.000 2.482 711 V HA 0.685 4.805 4.120 0.001 0.000 0.295 711 V C -0.482 175.328 176.094 -0.473 0.000 1.026 711 V CA -0.985 61.112 62.300 -0.339 0.000 0.856 711 V CB 0.656 32.250 31.823 -0.382 0.000 1.001 711 V HN 1.163 nan 8.190 nan 0.000 0.424 712 K N 3.602 123.751 120.400 -0.418 0.000 2.118 712 K HA 0.769 5.090 4.320 0.001 0.000 0.264 712 K C -1.503 174.781 176.600 -0.527 0.000 1.000 712 K CA -0.453 55.618 56.287 -0.359 0.000 0.929 712 K CB 1.542 33.937 32.500 -0.175 0.000 1.021 712 K HN 0.532 nan 8.250 nan 0.000 0.463 713 F N 0.183 120.073 119.950 -0.100 0.000 2.576 713 F HA 0.297 4.824 4.527 0.001 0.000 0.313 713 F C -0.639 175.142 175.800 -0.032 0.000 1.078 713 F CA -0.978 56.972 58.000 -0.083 0.000 0.921 713 F CB 2.525 41.470 39.000 -0.091 0.000 1.232 713 F HN 0.496 nan 8.300 nan 0.000 0.459 714 D N 4.101 124.605 120.400 0.173 0.000 2.469 714 D HA 0.388 5.029 4.640 0.001 0.000 0.251 714 D C -0.825 175.514 176.300 0.066 0.000 1.173 714 D CA -0.159 53.896 54.000 0.091 0.000 0.882 714 D CB 2.111 42.937 40.800 0.044 0.000 1.129 714 D HN 0.269 nan 8.370 nan 0.000 0.549 715 L N 1.578 122.834 121.223 0.054 0.000 2.357 715 L HA 0.553 4.894 4.340 0.001 0.000 0.273 715 L C 0.142 177.017 176.870 0.009 0.000 1.080 715 L CA -0.396 54.457 54.840 0.021 0.000 0.803 715 L CB 1.304 43.368 42.059 0.009 0.000 1.174 715 L HN 0.236 nan 8.230 nan 0.000 0.443 716 Q N 2.204 122.003 119.800 -0.003 0.000 2.776 716 Q HA 0.362 4.702 4.340 0.001 0.000 0.248 716 Q C -2.133 173.860 176.000 -0.010 0.000 0.990 716 Q CA -0.615 55.185 55.803 -0.005 0.000 0.953 716 Q CB 2.130 30.866 28.738 -0.002 0.000 1.801 716 Q HN 0.552 nan 8.270 nan 0.000 0.448 717 I N 3.100 123.665 120.570 -0.009 0.000 2.525 717 I HA 0.410 4.581 4.170 0.001 0.000 0.301 717 I C -0.476 175.639 176.117 -0.004 0.000 0.992 717 I CA -0.205 61.089 61.300 -0.010 0.000 1.162 717 I CB 1.778 39.772 38.000 -0.011 0.000 1.332 717 I HN 0.493 nan 8.210 nan 0.000 0.458 718 Q N 3.931 123.731 119.800 -0.001 0.000 2.315 718 Q HA 0.756 5.097 4.340 0.001 0.000 0.273 718 Q C -1.442 174.568 176.000 0.016 0.000 1.053 718 Q CA -0.841 54.966 55.803 0.007 0.000 0.817 718 Q CB 2.251 30.991 28.738 0.004 0.000 1.326 718 Q HN 0.701 nan 8.270 nan 0.000 0.423 719 S N 1.031 116.748 115.700 0.028 0.000 2.806 719 S HA 0.517 4.988 4.470 0.001 0.000 0.315 719 S C 0.149 174.786 174.600 0.062 0.000 1.127 719 S CA -0.593 57.635 58.200 0.048 0.000 0.918 719 S CB 1.572 64.804 63.200 0.053 0.000 1.240 719 S HN 0.544 nan 8.310 nan 0.000 0.552 720 S N 0.386 116.140 115.700 0.090 0.000 2.556 720 S HA 0.232 4.703 4.470 0.001 0.000 0.216 720 S C 0.410 175.046 174.600 0.060 0.000 0.970 720 S CA -0.238 58.001 58.200 0.064 0.000 0.912 720 S CB -0.684 62.542 63.200 0.043 0.000 0.790 720 S HN 0.685 nan 8.310 nan 0.000 0.504 721 N N 1.564 120.357 118.700 0.157 0.000 2.513 721 N HA 0.173 4.914 4.740 0.001 0.000 0.268 721 N C 0.986 176.588 175.510 0.153 0.000 1.180 721 N CA -0.081 53.073 53.050 0.173 0.000 0.948 721 N CB 0.380 39.046 38.487 0.298 0.000 1.083 721 N HN 0.051 nan 8.380 nan 0.000 0.455 722 L N 1.654 122.988 121.223 0.185 0.000 2.263 722 L HA -0.061 4.280 4.340 0.001 0.000 0.216 722 L C 0.037 177.058 176.870 0.251 0.000 1.111 722 L CA 0.950 55.927 54.840 0.229 0.000 0.773 722 L CB -0.516 41.745 42.059 0.336 0.000 0.906 722 L HN 0.458 nan 8.230 nan 0.000 0.439 723 F N -0.781 119.182 119.950 0.022 0.000 2.532 723 F HA 0.257 4.785 4.527 0.001 0.000 0.321 723 F C 0.515 176.328 175.800 0.021 0.000 1.089 723 F CA -1.195 56.817 58.000 0.019 0.000 0.926 723 F CB 1.378 40.390 39.000 0.019 0.000 1.168 723 F HN -0.034 nan 8.300 nan 0.000 0.459 724 D N 0.960 121.441 120.400 0.136 0.000 2.882 724 D HA -0.243 4.398 4.640 0.001 0.000 0.229 724 D C 1.414 177.752 176.300 0.063 0.000 1.167 724 D CA 1.191 55.241 54.000 0.083 0.000 0.759 724 D CB -0.591 40.267 40.800 0.095 0.000 1.088 724 D HN 0.806 nan 8.370 nan 0.000 0.425 725 K N -0.665 119.771 120.400 0.061 0.000 2.286 725 K HA -0.127 4.193 4.320 0.001 0.000 0.203 725 K C 1.239 177.856 176.600 0.029 0.000 1.045 725 K CA 1.453 57.772 56.287 0.052 0.000 0.935 725 K CB -0.069 32.459 32.500 0.047 0.000 0.737 725 K HN 0.331 nan 8.250 nan 0.000 0.460 726 V N -1.471 118.454 119.914 0.018 0.000 3.113 726 V HA 0.551 4.671 4.120 0.001 0.000 0.316 726 V C -0.305 175.793 176.094 0.006 0.000 1.125 726 V CA -0.739 61.566 62.300 0.009 0.000 1.026 726 V CB 1.836 33.660 31.823 0.002 0.000 1.080 726 V HN 0.291 nan 8.190 nan 0.000 0.444 727 S N 0.820 116.521 115.700 0.002 0.000 2.681 727 S HA 0.781 5.252 4.470 0.001 0.000 0.299 727 S C -2.981 171.619 174.600 -0.000 0.000 1.113 727 S CA -1.732 56.468 58.200 0.000 0.000 1.013 727 S CB 1.202 64.400 63.200 -0.003 0.000 1.076 727 S HN 0.754 nan 8.310 nan 0.000 0.534 728 P HA 0.190 nan 4.420 nan 0.000 0.271 728 P C -0.866 176.435 177.300 0.002 0.000 1.220 728 P CA -0.390 62.711 63.100 0.000 0.000 0.768 728 P CB 0.389 32.089 31.700 0.000 0.000 0.848 729 V N 5.202 125.118 119.914 0.003 0.000 2.425 729 V HA 0.001 4.122 4.120 0.001 0.000 0.276 729 V C 0.523 176.625 176.094 0.013 0.000 1.017 729 V CA 0.159 62.463 62.300 0.008 0.000 1.062 729 V CB 0.204 32.032 31.823 0.007 0.000 0.997 729 V HN 0.246 nan 8.190 nan 0.000 0.476 730 V N 4.975 124.899 119.914 0.017 0.000 2.364 730 V HA 0.321 4.442 4.120 0.001 0.000 0.272 730 V C 0.472 176.597 176.094 0.052 0.000 1.036 730 V CA 0.017 62.333 62.300 0.025 0.000 0.880 730 V CB 1.580 33.410 31.823 0.011 0.000 0.991 730 V HN 0.869 nan 8.190 nan 0.000 0.460 731 S N 3.599 119.337 115.700 0.062 0.000 2.541 731 S HA 0.577 5.047 4.470 0.001 0.000 0.283 731 S C -0.836 173.860 174.600 0.161 0.000 1.196 731 S CA -0.374 57.881 58.200 0.090 0.000 1.062 731 S CB 0.493 63.721 63.200 0.047 0.000 1.009 731 S HN 0.876 nan 8.310 nan 0.000 0.502 732 H N 2.719 121.831 119.070 0.071 0.000 2.840 732 H HA 0.499 5.056 4.556 0.001 0.000 0.340 732 H C -0.935 174.457 175.328 0.106 0.000 1.004 732 H CA -0.683 55.417 56.048 0.087 0.000 1.288 732 H CB 0.796 30.617 29.762 0.100 0.000 1.607 732 H HN 0.698 nan 8.280 nan 0.000 0.522 733 K N 3.638 123.831 120.400 -0.344 0.000 2.259 733 K HA 0.682 5.003 4.320 0.001 0.000 0.252 733 K C -1.360 174.979 176.600 -0.435 0.000 0.936 733 K CA -1.081 54.992 56.287 -0.357 0.000 0.810 733 K CB 2.307 34.691 32.500 -0.194 0.000 1.143 733 K HN 0.235 nan 8.250 nan 0.000 0.427 734 V N -0.848 118.871 119.914 -0.325 0.000 2.604 734 V HA 0.381 4.502 4.120 0.001 0.000 0.305 734 V C -0.706 175.287 176.094 -0.167 0.000 1.043 734 V CA -1.031 61.142 62.300 -0.212 0.000 0.888 734 V CB 1.566 33.310 31.823 -0.132 0.000 0.995 734 V HN 0.792 nan 8.190 nan 0.000 0.429 735 D N 3.357 123.674 120.400 -0.139 0.000 2.304 735 D HA 0.444 5.085 4.640 0.001 0.000 0.250 735 D C -0.023 176.179 176.300 -0.163 0.000 1.107 735 D CA 0.097 54.015 54.000 -0.136 0.000 0.885 735 D CB 2.118 42.851 40.800 -0.111 0.000 1.192 735 D HN 0.490 nan 8.370 nan 0.000 0.436 736 L N 1.329 122.458 121.223 -0.158 0.000 2.436 736 L HA 0.414 4.754 4.340 0.001 0.000 0.265 736 L C 0.582 177.336 176.870 -0.194 0.000 1.168 736 L CA -0.010 54.722 54.840 -0.180 0.000 0.815 736 L CB 0.794 42.755 42.059 -0.164 0.000 1.109 736 L HN 0.396 nan 8.230 nan 0.000 0.462 737 A N 2.083 124.768 122.820 -0.225 0.000 2.556 737 A HA 0.781 5.101 4.320 0.001 0.000 0.294 737 A C -1.266 176.297 177.584 -0.034 0.000 1.091 737 A CA -0.530 51.409 52.037 -0.163 0.000 0.704 737 A CB 1.788 20.612 19.000 -0.294 0.000 1.300 737 A HN 0.313 nan 8.150 nan 0.000 0.406 738 V N 1.240 121.176 119.914 0.036 0.000 2.370 738 V HA 0.618 4.739 4.120 0.001 0.000 0.283 738 V C -0.910 175.306 176.094 0.202 0.000 1.023 738 V CA -0.337 62.010 62.300 0.079 0.000 0.857 738 V CB 0.917 32.729 31.823 -0.018 0.000 0.985 738 V HN 0.718 nan 8.190 nan 0.000 0.443 739 L N 4.676 126.030 121.223 0.218 0.000 2.476 739 L HA 0.874 5.215 4.340 0.001 0.000 0.269 739 L C -0.299 176.664 176.870 0.154 0.000 0.965 739 L CA -0.251 54.657 54.840 0.113 0.000 0.845 739 L CB 1.912 43.854 42.059 -0.196 0.000 1.259 739 L HN 0.748 nan 8.230 nan 0.000 0.403 740 A N 4.485 127.429 122.820 0.207 0.000 2.768 740 A HA 0.776 5.097 4.320 0.001 0.000 0.299 740 A C -0.312 177.389 177.584 0.195 0.000 1.171 740 A CA 0.004 52.178 52.037 0.227 0.000 0.759 740 A CB 0.702 19.924 19.000 0.371 0.000 1.267 740 A HN 0.968 nan 8.150 nan 0.000 0.421 741 A N 2.018 124.906 122.820 0.113 0.000 2.473 741 A HA 0.522 4.843 4.320 0.001 0.000 0.282 741 A C 0.145 177.800 177.584 0.118 0.000 1.163 741 A CA 0.224 52.323 52.037 0.103 0.000 0.827 741 A CB -0.470 18.559 19.000 0.049 0.000 1.098 741 A HN 1.080 nan 8.150 nan 0.000 0.515 742 V N 3.386 123.409 119.914 0.181 0.000 2.630 742 V HA 0.671 4.792 4.120 0.001 0.000 0.305 742 V C 0.040 176.182 176.094 0.080 0.000 1.046 742 V CA -0.432 61.948 62.300 0.134 0.000 0.934 742 V CB 1.505 33.482 31.823 0.257 0.000 1.003 742 V HN 1.080 nan 8.190 nan 0.000 0.451 743 E N 3.044 123.175 120.200 -0.116 0.000 2.433 743 E HA 0.710 5.060 4.350 0.001 0.000 0.278 743 E C -1.358 175.106 176.600 -0.226 0.000 0.976 743 E CA -0.912 55.437 56.400 -0.086 0.000 0.793 743 E CB 2.864 32.564 29.700 0.000 0.000 1.311 743 E HN 0.544 nan 8.360 nan 0.000 0.460 744 I N 1.598 122.115 120.570 -0.088 0.000 2.493 744 I HA 0.376 4.547 4.170 0.001 0.000 0.279 744 I C -0.912 175.233 176.117 0.047 0.000 1.045 744 I CA -0.627 60.638 61.300 -0.057 0.000 1.106 744 I CB 0.613 38.601 38.000 -0.020 0.000 1.216 744 I HN 0.491 nan 8.210 nan 0.000 0.459 745 R N 5.046 125.558 120.500 0.021 0.000 2.457 745 R HA 0.707 5.047 4.340 0.001 0.000 0.284 745 R C -0.063 176.244 176.300 0.012 0.000 1.024 745 R CA -0.689 55.420 56.100 0.016 0.000 1.025 745 R CB 1.644 31.936 30.300 -0.014 0.000 1.063 745 R HN 0.673 nan 8.270 nan 0.000 0.493 746 G N 0.143 108.902 108.800 -0.067 0.000 2.619 746 G HA2 0.593 4.554 3.960 0.001 0.000 0.296 746 G HA3 0.593 4.554 3.960 0.001 0.000 0.296 746 G C -1.625 173.108 174.900 -0.279 0.000 1.334 746 G CA -0.459 44.456 45.100 -0.308 0.000 0.934 746 G HN 0.411 nan 8.290 nan 0.000 0.476 747 V N -0.609 119.089 119.914 -0.360 0.000 3.204 747 V HA 0.802 4.923 4.120 0.001 0.000 0.298 747 V C -1.065 174.854 176.094 -0.292 0.000 1.328 747 V CA -0.595 61.557 62.300 -0.247 0.000 1.035 747 V CB 2.371 34.117 31.823 -0.128 0.000 1.095 747 V HN 1.105 nan 8.190 nan 0.000 0.442 748 S N 1.743 117.299 115.700 -0.241 0.000 2.519 748 S HA 0.483 4.954 4.470 0.001 0.000 0.309 748 S C 0.847 175.409 174.600 -0.064 0.000 1.100 748 S CA 0.378 58.447 58.200 -0.218 0.000 1.059 748 S CB 1.741 64.758 63.200 -0.306 0.000 1.008 748 S HN 1.177 nan 8.310 nan 0.000 0.478 749 S N 4.598 120.306 115.700 0.014 0.000 2.436 749 S HA 0.083 4.554 4.470 0.001 0.000 0.215 749 S C -1.674 172.946 174.600 0.033 0.000 1.047 749 S CA 0.792 59.012 58.200 0.034 0.000 1.086 749 S CB -0.819 62.420 63.200 0.064 0.000 1.072 749 S HN 0.752 nan 8.310 nan 0.000 0.411 750 P HA 0.233 nan 4.420 nan 0.000 0.251 750 P C -0.315 177.005 177.300 0.033 0.000 1.718 750 P CA -0.134 62.996 63.100 0.050 0.000 1.119 750 P CB 0.295 32.031 31.700 0.059 0.000 1.762 751 D N 1.149 121.553 120.400 0.007 0.000 2.315 751 D HA -0.223 4.418 4.640 0.001 0.000 0.211 751 D C -0.326 175.945 176.300 -0.048 0.000 0.977 751 D CA 1.124 55.099 54.000 -0.042 0.000 0.894 751 D CB -0.300 40.464 40.800 -0.061 0.000 0.910 751 D HN 0.514 nan 8.370 nan 0.000 0.490 752 H N -0.854 118.142 119.070 -0.123 0.000 2.924 752 H HA 0.393 4.949 4.556 0.001 0.000 0.333 752 H C -1.399 173.744 175.328 -0.308 0.000 0.979 752 H CA -0.949 54.940 56.048 -0.266 0.000 1.326 752 H CB 1.940 31.518 29.762 -0.307 0.000 1.600 752 H HN -0.020 nan 8.280 nan 0.000 0.520 753 V N 4.373 124.218 119.914 -0.114 0.000 2.378 753 V HA 0.447 4.568 4.120 0.001 0.000 0.288 753 V C -1.134 174.804 176.094 -0.260 0.000 1.016 753 V CA -0.579 61.640 62.300 -0.136 0.000 0.840 753 V CB 0.475 32.266 31.823 -0.053 0.000 0.994 753 V HN 0.512 nan 8.190 nan 0.000 0.431 754 F N 5.633 125.523 119.950 -0.101 0.000 2.444 754 F HA 0.385 4.913 4.527 0.001 0.000 0.360 754 F C 1.044 176.711 175.800 -0.221 0.000 1.106 754 F CA -0.422 57.483 58.000 -0.158 0.000 1.170 754 F CB 1.470 40.373 39.000 -0.160 0.000 1.113 754 F HN 0.505 nan 8.300 nan 0.000 0.521 755 L N 6.940 128.000 121.223 -0.272 0.000 2.261 755 L HA -0.048 4.293 4.340 0.001 0.000 0.216 755 L C -0.828 175.659 176.870 -0.639 0.000 1.114 755 L CA 1.392 55.874 54.840 -0.596 0.000 0.777 755 L CB -1.235 40.133 42.059 -1.152 0.000 0.910 755 L HN 0.351 nan 8.230 nan 0.000 0.440 756 P HA -0.156 nan 4.420 nan 0.000 0.222 756 P C 0.390 177.728 177.300 0.063 0.000 1.142 756 P CA 0.596 63.673 63.100 -0.039 0.000 0.788 756 P CB -0.200 31.570 31.700 0.116 0.000 0.767 757 I N 0.111 120.690 120.570 0.016 0.000 4.761 757 I HA -0.169 4.002 4.170 0.001 0.000 0.126 757 I C -2.013 174.189 176.117 0.142 0.000 1.165 757 I CA -0.799 60.542 61.300 0.069 0.000 2.667 757 I CB -0.710 37.311 38.000 0.034 0.000 1.877 757 I HN 0.048 nan 8.210 nan 0.000 0.326 758 P HA 0.083 nan 4.420 nan 0.000 0.267 758 P C -0.315 177.062 177.300 0.129 0.000 1.209 758 P CA 0.190 63.352 63.100 0.103 0.000 0.763 758 P CB 0.219 31.957 31.700 0.063 0.000 0.816 759 N N 1.202 119.987 118.700 0.142 0.000 2.456 759 N HA -0.201 4.540 4.740 0.001 0.000 0.297 759 N C -1.180 174.465 175.510 0.226 0.000 1.441 759 N CA 0.742 53.876 53.050 0.140 0.000 0.649 759 N CB -0.666 37.873 38.487 0.086 0.000 0.983 759 N HN 0.612 nan 8.380 nan 0.000 0.488 760 W N 2.927 124.234 121.300 0.012 0.000 3.800 760 W HA 0.411 5.072 4.660 0.001 0.000 0.299 760 W C -1.672 174.836 176.519 -0.018 0.000 1.231 760 W CA -0.550 56.776 57.345 -0.031 0.000 1.232 760 W CB 1.196 30.617 29.460 -0.066 0.000 1.291 760 W HN 0.218 nan 8.180 nan 0.000 0.514 761 E N 3.777 123.437 120.200 -0.899 0.000 2.199 761 E HA 0.085 4.435 4.350 0.001 0.000 0.265 761 E C -0.787 175.063 176.600 -1.249 0.000 0.882 761 E CA -1.066 54.829 56.400 -0.842 0.000 0.759 761 E CB 1.432 30.897 29.700 -0.392 0.000 1.148 761 E HN 0.337 nan 8.360 nan 0.000 0.412 762 H N 5.082 123.400 119.070 -1.255 0.000 3.160 762 H HA 0.040 4.597 4.556 0.001 0.000 0.257 762 H C -0.669 174.395 175.328 -0.439 0.000 1.140 762 H CA 0.154 55.652 56.048 -0.917 0.000 1.492 762 H CB 0.046 29.456 29.762 -0.586 0.000 1.529 762 H HN 0.199 nan 8.280 nan 0.000 0.490 763 K N 3.913 124.045 120.400 -0.448 0.000 2.154 763 K HA 0.021 4.342 4.320 0.001 0.000 0.264 763 K C 1.349 177.848 176.600 -0.168 0.000 1.008 763 K CA -0.560 55.590 56.287 -0.228 0.000 0.937 763 K CB 1.138 33.521 32.500 -0.195 0.000 1.002 763 K HN 0.669 nan 8.250 nan 0.000 0.469 764 E N 1.056 121.232 120.200 -0.039 0.000 2.077 764 E HA -0.114 4.237 4.350 0.001 0.000 0.193 764 E C -0.320 176.283 176.600 0.005 0.000 0.989 764 E CA 1.156 57.569 56.400 0.021 0.000 0.800 764 E CB 0.348 30.066 29.700 0.029 0.000 0.746 764 E HN 0.389 nan 8.360 nan 0.000 0.452 765 N N 0.182 118.873 118.700 -0.016 0.000 2.478 765 N HA 0.230 4.971 4.740 0.001 0.000 0.291 765 N C -2.730 172.768 175.510 -0.020 0.000 1.090 765 N CA -1.103 51.951 53.050 0.006 0.000 0.911 765 N CB 2.441 40.944 38.487 0.026 0.000 1.546 765 N HN -0.071 nan 8.380 nan 0.000 0.500 766 P HA 0.292 nan 4.420 nan 0.000 0.275 766 P C -0.316 176.974 177.300 -0.017 0.000 1.228 766 P CA 0.071 63.149 63.100 -0.037 0.000 0.786 766 P CB 1.724 33.400 31.700 -0.039 0.000 0.927 767 E N -0.517 119.669 120.200 -0.023 0.000 2.535 767 E HA 0.095 4.446 4.350 0.001 0.000 0.216 767 E C 0.163 176.756 176.600 -0.011 0.000 0.845 767 E CA 0.442 56.835 56.400 -0.011 0.000 1.306 767 E CB 0.534 30.228 29.700 -0.011 0.000 1.291 767 E HN 0.610 nan 8.360 nan 0.000 0.635 768 T N -2.736 111.807 114.554 -0.018 0.000 2.883 768 T HA 0.373 4.724 4.350 0.001 0.000 0.296 768 T C 0.657 175.350 174.700 -0.011 0.000 1.117 768 T CA -0.772 61.322 62.100 -0.010 0.000 1.006 768 T CB 1.694 70.558 68.868 -0.006 0.000 1.191 768 T HN -0.174 nan 8.240 nan 0.000 0.508 769 E N 0.355 120.557 120.200 0.003 0.000 2.118 769 E HA -0.188 4.162 4.350 0.001 0.000 0.195 769 E C 1.551 178.157 176.600 0.011 0.000 0.992 769 E CA 1.443 57.850 56.400 0.010 0.000 0.804 769 E CB -0.099 29.620 29.700 0.031 0.000 0.741 769 E HN 0.674 nan 8.360 nan 0.000 0.458 770 E N 0.829 121.041 120.200 0.019 0.000 2.204 770 E HA -0.156 4.194 4.350 0.001 0.000 0.195 770 E C 1.191 177.831 176.600 0.066 0.000 0.990 770 E CA 1.066 57.490 56.400 0.039 0.000 0.821 770 E CB -0.078 29.639 29.700 0.028 0.000 0.750 770 E HN 0.245 nan 8.360 nan 0.000 0.477 771 D N -1.166 119.248 120.400 0.023 0.000 2.347 771 D HA -0.021 4.620 4.640 0.001 0.000 0.213 771 D C 1.393 177.724 176.300 0.052 0.000 0.985 771 D CA 0.320 54.323 54.000 0.004 0.000 0.879 771 D CB 0.389 41.157 40.800 -0.053 0.000 0.919 771 D HN 0.046 nan 8.370 nan 0.000 0.526 772 V N -0.899 119.011 119.914 -0.007 0.000 2.602 772 V HA 0.525 4.646 4.120 0.001 0.000 0.235 772 V C 1.266 177.219 176.094 -0.235 0.000 1.087 772 V CA 1.111 63.319 62.300 -0.154 0.000 1.117 772 V CB 0.162 31.909 31.823 -0.127 0.000 0.820 772 V HN 0.290 nan 8.190 nan 0.000 0.490 773 G N -0.629 108.089 108.800 -0.136 0.000 2.335 773 G HA2 0.380 4.340 3.960 0.001 0.000 0.291 773 G HA3 0.380 4.340 3.960 0.001 0.000 0.291 773 G C -3.348 171.510 174.900 -0.071 0.000 1.261 773 G CA -0.543 44.441 45.100 -0.193 0.000 0.871 773 G HN 0.134 nan 8.290 nan 0.000 0.491 774 P HA 0.482 nan 4.420 nan 0.000 0.276 774 P C -0.459 176.861 177.300 0.033 0.000 1.261 774 P CA -0.477 62.618 63.100 -0.008 0.000 0.800 774 P CB 1.271 32.961 31.700 -0.017 0.000 1.066 775 V N 2.032 121.979 119.914 0.055 0.000 2.270 775 V HA 0.107 4.228 4.120 0.001 0.000 0.263 775 V C -0.020 176.137 176.094 0.105 0.000 1.066 775 V CA -0.453 61.899 62.300 0.086 0.000 0.857 775 V CB 0.749 32.620 31.823 0.080 0.000 1.099 775 V HN 0.216 nan 8.190 nan 0.000 0.476 776 V N 5.171 125.167 119.914 0.136 0.000 2.455 776 V HA 0.280 4.401 4.120 0.001 0.000 0.273 776 V C 0.174 176.415 176.094 0.245 0.000 1.045 776 V CA -0.121 62.289 62.300 0.183 0.000 0.976 776 V CB 1.256 33.201 31.823 0.204 0.000 0.993 776 V HN 0.916 nan 8.190 nan 0.000 0.475 777 Q N 3.629 123.582 119.800 0.256 0.000 2.327 777 Q HA 0.408 4.748 4.340 0.001 0.000 0.270 777 Q C -1.151 175.075 176.000 0.377 0.000 1.022 777 Q CA -0.690 55.274 55.803 0.268 0.000 0.773 777 Q CB 1.037 29.865 28.738 0.151 0.000 1.251 777 Q HN 0.849 nan 8.270 nan 0.000 0.457 778 H N 2.973 122.155 119.070 0.186 0.000 2.481 778 H HA 0.557 5.114 4.556 0.001 0.000 0.339 778 H C -0.611 174.757 175.328 0.067 0.000 1.131 778 H CA -0.425 55.700 56.048 0.129 0.000 1.301 778 H CB 0.982 30.945 29.762 0.335 0.000 1.476 778 H HN 0.574 nan 8.280 nan 0.000 0.529 779 I N 2.960 123.523 120.570 -0.011 0.000 2.548 779 I HA 0.173 4.344 4.170 0.001 0.000 0.287 779 I C -1.234 174.754 176.117 -0.215 0.000 1.103 779 I CA -0.561 60.737 61.300 -0.004 0.000 1.049 779 I CB 1.329 39.395 38.000 0.111 0.000 1.232 779 I HN 0.439 nan 8.210 nan 0.000 0.429 780 Y N 4.103 124.384 120.300 -0.031 0.000 2.409 780 Y HA 0.485 5.036 4.550 0.001 0.000 0.339 780 Y C 0.060 175.885 175.900 -0.125 0.000 1.033 780 Y CA -0.586 57.484 58.100 -0.051 0.000 1.094 780 Y CB 1.956 40.402 38.460 -0.022 0.000 1.210 780 Y HN 0.428 nan 8.280 nan 0.000 0.456 781 E N 3.581 123.809 120.200 0.046 0.000 2.255 781 E HA 0.299 4.649 4.350 0.001 0.000 0.256 781 E C -1.967 174.592 176.600 -0.069 0.000 0.887 781 E CA -0.988 55.387 56.400 -0.043 0.000 0.782 781 E CB 1.287 30.958 29.700 -0.049 0.000 1.214 781 E HN 0.585 nan 8.360 nan 0.000 0.417 782 L N 5.278 126.433 121.223 -0.113 0.000 2.260 782 L HA 0.428 4.769 4.340 0.001 0.000 0.289 782 L C -0.711 176.070 176.870 -0.149 0.000 1.057 782 L CA 0.110 54.828 54.840 -0.202 0.000 0.811 782 L CB 0.659 42.598 42.059 -0.201 0.000 1.184 782 L HN 0.542 nan 8.230 nan 0.000 0.429 783 R N 3.647 124.053 120.500 -0.156 0.000 2.621 783 R HA 0.489 4.830 4.340 0.001 0.000 0.292 783 R C -1.221 175.031 176.300 -0.081 0.000 0.969 783 R CA -0.692 55.346 56.100 -0.103 0.000 0.887 783 R CB 1.196 31.451 30.300 -0.075 0.000 1.180 783 R HN 0.700 nan 8.270 nan 0.000 0.450 784 N N 2.322 120.972 118.700 -0.084 0.000 2.444 784 N HA 0.259 5.000 4.740 0.001 0.000 0.262 784 N C -0.762 174.720 175.510 -0.046 0.000 0.974 784 N CA -0.463 52.556 53.050 -0.052 0.000 0.933 784 N CB 1.127 39.526 38.487 -0.146 0.000 1.137 784 N HN 0.663 nan 8.380 nan 0.000 0.498 785 N N 1.442 120.137 118.700 -0.010 0.000 2.273 785 N HA 0.090 4.831 4.740 0.001 0.000 0.192 785 N C 0.817 176.330 175.510 0.005 0.000 1.132 785 N CA -0.164 52.881 53.050 -0.009 0.000 0.887 785 N CB 0.467 38.951 38.487 -0.005 0.000 1.048 785 N HN 0.507 nan 8.380 nan 0.000 0.490 786 G N 2.512 111.327 108.800 0.026 0.000 2.720 786 G HA2 0.076 4.037 3.960 0.001 0.000 0.237 786 G HA3 0.076 4.037 3.960 0.001 0.000 0.237 786 G C -1.572 173.351 174.900 0.038 0.000 1.239 786 G CA -0.570 44.550 45.100 0.033 0.000 0.847 786 G HN -0.026 nan 8.290 nan 0.000 0.593 787 P HA -0.040 nan 4.420 nan 0.000 0.212 787 P C 1.014 178.376 177.300 0.104 0.000 1.180 787 P CA 0.805 63.940 63.100 0.059 0.000 0.906 787 P CB 0.048 31.786 31.700 0.064 0.000 0.782 788 S N 0.013 115.806 115.700 0.155 0.000 2.564 788 S HA 0.259 4.730 4.470 0.001 0.000 0.278 788 S C 0.550 175.319 174.600 0.281 0.000 1.333 788 S CA -0.379 57.978 58.200 0.262 0.000 1.048 788 S CB -0.045 63.352 63.200 0.329 0.000 0.900 788 S HN 0.171 nan 8.310 nan 0.000 0.505 789 S N 1.956 117.840 115.700 0.307 0.000 2.687 789 S HA 0.778 5.248 4.470 0.001 0.000 0.283 789 S C -0.412 174.283 174.600 0.158 0.000 1.170 789 S CA -0.891 57.372 58.200 0.105 0.000 1.008 789 S CB 0.484 63.682 63.200 -0.003 0.000 1.026 789 S HN 0.595 nan 8.310 nan 0.000 0.541 790 F N -0.663 119.234 119.950 -0.090 0.000 2.575 790 F HA 0.795 5.323 4.527 0.001 0.000 0.330 790 F C 0.848 176.497 175.800 -0.252 0.000 1.056 790 F CA -1.130 56.656 58.000 -0.357 0.000 0.964 790 F CB 0.997 39.590 39.000 -0.678 0.000 1.258 790 F HN 0.609 nan 8.300 nan 0.000 0.484 791 S N -0.696 115.105 115.700 0.169 0.000 2.497 791 S HA 0.413 4.883 4.470 0.001 0.000 0.221 791 S C -0.010 174.695 174.600 0.175 0.000 1.037 791 S CA -0.049 58.220 58.200 0.115 0.000 0.920 791 S CB -0.133 63.072 63.200 0.008 0.000 0.800 791 S HN 0.656 nan 8.310 nan 0.000 0.505 792 K N -0.097 120.362 120.400 0.098 0.000 2.568 792 K HA 0.768 5.088 4.320 0.001 0.000 0.273 792 K C -1.601 174.775 176.600 -0.373 0.000 0.951 792 K CA -0.383 55.879 56.287 -0.042 0.000 0.854 792 K CB 2.382 34.853 32.500 -0.047 0.000 1.424 792 K HN 0.250 nan 8.250 nan 0.000 0.427 793 A N 1.533 124.180 122.820 -0.289 0.000 2.581 793 A HA 0.791 5.111 4.320 0.001 0.000 0.290 793 A C -1.880 175.615 177.584 -0.149 0.000 1.119 793 A CA -0.746 51.076 52.037 -0.358 0.000 0.670 793 A CB 1.572 20.191 19.000 -0.636 0.000 1.280 793 A HN 0.421 nan 8.150 nan 0.000 0.425 794 M N 0.774 120.320 119.600 -0.090 0.000 2.465 794 M HA 0.599 5.080 4.480 0.001 0.000 0.316 794 M C -1.238 175.046 176.300 -0.026 0.000 1.121 794 M CA -0.579 54.676 55.300 -0.075 0.000 0.934 794 M CB 1.115 33.703 32.600 -0.019 0.000 1.692 794 M HN 0.708 nan 8.290 nan 0.000 0.444 795 L N 3.398 124.525 121.223 -0.159 0.000 2.385 795 L HA 0.544 4.885 4.340 0.001 0.000 0.273 795 L C -1.272 175.424 176.870 -0.290 0.000 0.990 795 L CA -0.299 54.479 54.840 -0.103 0.000 0.821 795 L CB 1.266 43.267 42.059 -0.095 0.000 1.279 795 L HN 0.620 nan 8.230 nan 0.000 0.412 796 H N 5.802 124.829 119.070 -0.072 0.000 2.727 796 H HA 0.380 4.937 4.556 0.001 0.000 0.330 796 H C -1.326 173.921 175.328 -0.134 0.000 0.986 796 H CA -0.658 55.333 56.048 -0.095 0.000 1.251 796 H CB 2.433 32.152 29.762 -0.071 0.000 1.493 796 H HN 0.404 nan 8.280 nan 0.000 0.515 797 L N 3.072 124.259 121.223 -0.060 0.000 2.322 797 L HA 0.332 4.673 4.340 0.001 0.000 0.281 797 L C -0.497 176.379 176.870 0.010 0.000 1.014 797 L CA -0.355 54.419 54.840 -0.110 0.000 0.815 797 L CB 1.759 43.717 42.059 -0.169 0.000 1.247 797 L HN 0.538 nan 8.230 nan 0.000 0.421 798 Q N 4.788 124.615 119.800 0.046 0.000 2.322 798 Q HA 0.309 4.650 4.340 0.001 0.000 0.265 798 Q C -1.646 174.468 176.000 0.190 0.000 0.985 798 Q CA -0.202 55.659 55.803 0.096 0.000 0.849 798 Q CB 1.932 30.697 28.738 0.045 0.000 1.274 798 Q HN 0.673 nan 8.270 nan 0.000 0.449 799 W N 5.953 127.252 121.300 -0.002 0.000 2.478 799 W HA 0.360 5.020 4.660 0.001 0.000 0.318 799 W C -2.492 174.063 176.519 0.060 0.000 1.062 799 W CA -2.447 54.910 57.345 0.021 0.000 1.210 799 W CB 1.766 31.223 29.460 -0.005 0.000 1.325 799 W HN 0.459 nan 8.180 nan 0.000 0.496 800 P HA -0.069 nan 4.420 nan 0.000 0.244 800 P C 0.175 177.386 177.300 -0.150 0.000 1.769 800 P CA 0.211 63.119 63.100 -0.319 0.000 1.102 800 P CB -0.338 31.098 31.700 -0.441 0.000 1.937 801 Y N 4.766 125.076 120.300 0.016 0.000 2.089 801 Y HA -0.146 4.404 4.550 0.001 0.000 0.282 801 Y C 0.929 176.859 175.900 0.050 0.000 1.139 801 Y CA 1.609 59.795 58.100 0.144 0.000 1.123 801 Y CB 0.174 38.718 38.460 0.141 0.000 0.980 801 Y HN 0.206 nan 8.280 nan 0.000 0.493 802 K N -2.340 118.007 120.400 -0.088 0.000 2.555 802 K HA 0.351 4.672 4.320 0.001 0.000 0.279 802 K C -2.202 174.419 176.600 0.036 0.000 0.986 802 K CA -0.967 55.211 56.287 -0.182 0.000 0.880 802 K CB 1.537 33.778 32.500 -0.432 0.000 1.474 802 K HN 0.040 nan 8.250 nan 0.000 0.433 803 Y N 1.611 121.842 120.300 -0.115 0.000 2.326 803 Y HA 0.278 4.829 4.550 0.001 0.000 0.329 803 Y C -0.858 175.018 175.900 -0.041 0.000 0.973 803 Y CA -0.472 57.592 58.100 -0.059 0.000 1.162 803 Y CB 1.248 39.671 38.460 -0.061 0.000 1.147 803 Y HN 0.842 nan 8.280 nan 0.000 0.456 804 N N 5.221 123.714 118.700 -0.344 0.000 2.671 804 N HA -0.303 4.437 4.740 0.001 0.000 0.261 804 N C -0.122 175.322 175.510 -0.111 0.000 1.053 804 N CA 1.624 54.513 53.050 -0.268 0.000 0.732 804 N CB -1.333 36.949 38.487 -0.342 0.000 0.887 804 N HN 1.047 nan 8.380 nan 0.000 0.546 805 N N -2.128 116.521 118.700 -0.086 0.000 2.929 805 N HA -0.282 4.458 4.740 0.001 0.000 0.234 805 N C -0.868 174.588 175.510 -0.089 0.000 0.908 805 N CA 1.628 54.640 53.050 -0.064 0.000 0.993 805 N CB -0.926 37.540 38.487 -0.035 0.000 1.075 805 N HN 0.702 nan 8.380 nan 0.000 0.603 806 N N 0.543 119.196 118.700 -0.078 0.000 2.424 806 N HA 0.292 5.032 4.740 0.001 0.000 0.271 806 N C -0.717 174.684 175.510 -0.182 0.000 0.985 806 N CA -0.452 52.550 53.050 -0.081 0.000 0.921 806 N CB 1.210 39.729 38.487 0.052 0.000 1.149 806 N HN 0.009 nan 8.380 nan 0.000 0.492 807 T N 1.896 116.199 114.554 -0.419 0.000 2.855 807 T HA 0.296 4.647 4.350 0.001 0.000 0.314 807 T C 0.066 174.653 174.700 -0.190 0.000 1.077 807 T CA -0.032 61.721 62.100 -0.579 0.000 1.095 807 T CB 0.015 68.199 68.868 -1.141 0.000 0.987 807 T HN 0.469 nan 8.240 nan 0.000 0.546 808 L N 0.077 121.213 121.223 -0.145 0.000 2.752 808 L HA 0.530 4.871 4.340 0.001 0.000 0.257 808 L C -0.506 176.413 176.870 0.081 0.000 0.968 808 L CA -0.996 53.852 54.840 0.013 0.000 0.953 808 L CB 0.454 42.470 42.059 -0.071 0.000 1.286 808 L HN 0.622 nan 8.230 nan 0.000 0.443 809 L N 2.341 123.692 121.223 0.213 0.000 3.223 809 L HA -0.197 4.144 4.340 0.001 0.000 0.573 809 L C -0.655 176.532 176.870 0.528 0.000 1.328 809 L CA 0.314 55.361 54.840 0.346 0.000 0.992 809 L CB -0.875 41.356 42.059 0.287 0.000 1.794 809 L HN 0.907 nan 8.230 nan 0.000 0.823 810 Y N 2.151 122.615 120.300 0.273 0.000 2.697 810 Y HA 0.307 4.857 4.550 0.001 0.000 0.349 810 Y C 1.004 177.014 175.900 0.184 0.000 1.120 810 Y CA -0.282 57.964 58.100 0.244 0.000 1.468 810 Y CB 0.296 38.861 38.460 0.174 0.000 1.182 810 Y HN 0.174 nan 8.280 nan 0.000 0.525 811 I N 8.123 128.686 120.570 -0.012 0.000 2.598 811 I HA -0.133 4.038 4.170 0.001 0.000 0.284 811 I C 0.877 176.935 176.117 -0.097 0.000 1.140 811 I CA 0.261 61.471 61.300 -0.150 0.000 1.420 811 I CB 0.885 38.615 38.000 -0.450 0.000 1.387 811 I HN 0.819 nan 8.210 nan 0.000 0.553 812 L N 5.801 127.090 121.223 0.110 0.000 2.102 812 L HA 0.045 4.386 4.340 0.001 0.000 0.202 812 L C 0.546 177.517 176.870 0.167 0.000 1.076 812 L CA 0.767 55.732 54.840 0.207 0.000 0.761 812 L CB -0.142 42.085 42.059 0.280 0.000 0.921 812 L HN 0.836 nan 8.230 nan 0.000 0.444 813 H N -3.538 115.494 119.070 -0.063 0.000 2.921 813 H HA 0.367 4.923 4.556 0.001 0.000 0.287 813 H C -1.427 173.865 175.328 -0.060 0.000 1.434 813 H CA -1.212 54.748 56.048 -0.146 0.000 1.178 813 H CB 0.755 30.414 29.762 -0.172 0.000 1.836 813 H HN -0.009 nan 8.280 nan 0.000 0.495 814 Y N -0.430 119.672 120.300 -0.330 0.000 2.545 814 Y HA 0.747 5.298 4.550 0.001 0.000 0.348 814 Y C -1.573 174.211 175.900 -0.195 0.000 1.002 814 Y CA -1.099 56.814 58.100 -0.311 0.000 1.039 814 Y CB 1.923 40.267 38.460 -0.192 0.000 1.271 814 Y HN 0.752 nan 8.280 nan 0.000 0.467 815 D N 2.110 122.593 120.400 0.138 0.000 2.575 815 D HA 0.640 5.281 4.640 0.001 0.000 0.236 815 D C -1.181 175.277 176.300 0.263 0.000 1.075 815 D CA -0.333 53.791 54.000 0.206 0.000 0.860 815 D CB 2.561 43.479 40.800 0.197 0.000 1.475 815 D HN 0.598 nan 8.370 nan 0.000 0.474 816 I N 1.351 122.036 120.570 0.191 0.000 2.545 816 I HA 0.363 4.534 4.170 0.001 0.000 0.292 816 I C -1.046 175.132 176.117 0.103 0.000 1.040 816 I CA -0.804 60.546 61.300 0.083 0.000 1.068 816 I CB 1.911 39.948 38.000 0.062 0.000 1.251 816 I HN 0.152 nan 8.210 nan 0.000 0.424 817 D N 4.430 124.861 120.400 0.051 0.000 2.593 817 D HA 0.681 5.322 4.640 0.001 0.000 0.251 817 D C 0.172 176.476 176.300 0.007 0.000 1.140 817 D CA 0.327 54.371 54.000 0.075 0.000 0.855 817 D CB 2.076 42.974 40.800 0.164 0.000 1.267 817 D HN 0.882 nan 8.370 nan 0.000 0.532 818 G N 2.933 111.737 108.800 0.007 0.000 2.447 818 G HA2 -0.097 3.863 3.960 0.001 0.000 0.220 818 G HA3 -0.097 3.863 3.960 0.001 0.000 0.220 818 G C -2.661 172.230 174.900 -0.015 0.000 1.261 818 G CA -1.098 43.993 45.100 -0.016 0.000 1.000 818 G HN 0.412 nan 8.290 nan 0.000 0.515 819 P HA 0.575 nan 4.420 nan 0.000 0.251 819 P C -0.351 176.946 177.300 -0.004 0.000 1.718 819 P CA 0.213 63.305 63.100 -0.013 0.000 1.119 819 P CB 0.384 32.072 31.700 -0.020 0.000 1.762 820 M N 2.254 121.849 119.600 -0.007 0.000 2.449 820 M HA 0.323 4.804 4.480 0.001 0.000 0.291 820 M C -2.125 174.170 176.300 -0.008 0.000 1.148 820 M CA -0.341 54.950 55.300 -0.015 0.000 0.925 820 M CB 2.025 34.605 32.600 -0.033 0.000 1.767 820 M HN -0.009 nan 8.290 nan 0.000 0.503 821 N N 2.309 121.000 118.700 -0.016 0.000 2.269 821 N HA 0.775 5.516 4.740 0.001 0.000 0.304 821 N C -1.620 173.875 175.510 -0.024 0.000 1.072 821 N CA -0.765 52.286 53.050 0.001 0.000 0.802 821 N CB 2.257 40.745 38.487 0.000 0.000 1.348 821 N HN 0.595 nan 8.380 nan 0.000 0.484 822 c N 0.154 118.760 118.600 0.010 0.000 2.871 822 c HA 0.768 5.339 4.570 0.001 0.000 0.351 822 c C -0.305 173.784 174.090 -0.003 0.000 1.338 822 c CA -0.368 55.922 56.329 -0.065 0.000 1.686 822 c CB 1.914 44.286 42.510 -0.230 0.000 2.135 822 c HN 0.602 nan 8.230 nan 0.000 0.476 823 T N 1.105 115.615 114.554 -0.073 0.000 3.435 823 T HA 0.392 4.743 4.350 0.001 0.000 0.344 823 T C -0.890 173.772 174.700 -0.062 0.000 1.211 823 T CA -0.351 61.742 62.100 -0.011 0.000 1.104 823 T CB 1.245 70.099 68.868 -0.023 0.000 1.196 823 T HN 0.868 nan 8.240 nan 0.000 0.471 824 S N 1.621 117.316 115.700 -0.009 0.000 2.480 824 S HA 0.360 4.831 4.470 0.001 0.000 0.286 824 S C 1.083 175.650 174.600 -0.055 0.000 1.180 824 S CA -0.729 57.438 58.200 -0.055 0.000 1.075 824 S CB 1.120 64.303 63.200 -0.028 0.000 0.996 824 S HN 0.776 nan 8.310 nan 0.000 0.487 825 D N 2.736 123.096 120.400 -0.065 0.000 2.309 825 D HA -0.092 4.548 4.640 0.001 0.000 0.212 825 D C 0.370 176.623 176.300 -0.078 0.000 0.968 825 D CA 1.003 54.969 54.000 -0.057 0.000 0.882 825 D CB -0.240 40.533 40.800 -0.044 0.000 0.918 825 D HN 0.582 nan 8.370 nan 0.000 0.503 826 M N 0.063 119.593 119.600 -0.117 0.000 2.530 826 M HA 0.201 4.681 4.480 0.001 0.000 0.307 826 M C -0.247 175.959 176.300 -0.156 0.000 1.161 826 M CA -0.841 54.361 55.300 -0.162 0.000 0.903 826 M CB 3.187 35.617 32.600 -0.282 0.000 1.711 826 M HN -0.212 nan 8.290 nan 0.000 0.451 827 E N 3.062 123.177 120.200 -0.141 0.000 2.351 827 E HA 0.171 4.522 4.350 0.001 0.000 0.266 827 E C -1.102 175.395 176.600 -0.172 0.000 1.031 827 E CA -0.484 55.846 56.400 -0.118 0.000 0.911 827 E CB 0.435 30.084 29.700 -0.084 0.000 0.986 827 E HN 0.481 nan 8.360 nan 0.000 0.446 828 I N 2.659 123.142 120.570 -0.146 0.000 2.416 828 I HA 0.215 4.385 4.170 0.001 0.000 0.288 828 I C 0.028 176.042 176.117 -0.172 0.000 1.051 828 I CA -0.481 60.702 61.300 -0.194 0.000 1.375 828 I CB 0.669 38.599 38.000 -0.117 0.000 1.407 828 I HN 0.695 nan 8.210 nan 0.000 0.516 829 N N 4.604 123.132 118.700 -0.287 0.000 2.765 829 N HA -0.111 4.630 4.740 0.001 0.000 0.254 829 N C -1.890 173.653 175.510 0.054 0.000 1.094 829 N CA 0.750 53.752 53.050 -0.080 0.000 0.680 829 N CB -0.453 38.076 38.487 0.071 0.000 0.902 829 N HN 0.668 nan 8.380 nan 0.000 0.557 830 P HA -0.106 nan 4.420 nan 0.000 0.215 830 P C 1.311 178.715 177.300 0.174 0.000 1.157 830 P CA 0.941 64.096 63.100 0.091 0.000 0.856 830 P CB 0.032 31.771 31.700 0.066 0.000 0.786 831 L N -0.554 120.858 121.223 0.317 0.000 2.749 831 L HA 0.072 4.413 4.340 0.001 0.000 0.245 831 L C 0.527 177.487 176.870 0.150 0.000 1.156 831 L CA 0.094 55.060 54.840 0.210 0.000 0.890 831 L CB -1.011 41.151 42.059 0.171 0.000 1.036 831 L HN -0.055 nan 8.230 nan 0.000 0.441 832 R N -0.023 120.569 120.500 0.155 0.000 3.591 832 R HA -0.189 4.152 4.340 0.001 0.000 0.268 832 R C 0.145 176.492 176.300 0.079 0.000 1.102 832 R CA 0.586 56.743 56.100 0.095 0.000 0.732 832 R CB -2.146 28.187 30.300 0.054 0.000 1.117 832 R HN 0.283 nan 8.270 nan 0.000 0.472 833 I N 1.168 121.803 120.570 0.108 0.000 2.710 833 I HA -0.018 4.153 4.170 0.001 0.000 0.286 833 I C 1.272 177.420 176.117 0.051 0.000 1.181 833 I CA 0.680 62.013 61.300 0.056 0.000 1.430 833 I CB 0.486 38.495 38.000 0.014 0.000 1.367 833 I HN -0.081 nan 8.210 nan 0.000 0.577 834 K N 5.233 125.647 120.400 0.022 0.000 2.279 834 K HA 0.520 4.841 4.320 0.001 0.000 0.238 834 K C 0.279 176.884 176.600 0.008 0.000 1.084 834 K CA -1.064 55.227 56.287 0.007 0.000 0.885 834 K CB 1.699 34.196 32.500 -0.005 0.000 1.319 834 K HN 0.414 nan 8.250 nan 0.000 0.494 835 I N 0.195 120.764 120.570 -0.002 0.000 2.656 835 I HA -0.228 3.942 4.170 0.001 0.000 0.179 835 I C 1.954 178.074 176.117 0.005 0.000 1.384 835 I CA 0.877 62.180 61.300 0.004 0.000 0.648 835 I CB 0.299 38.297 38.000 -0.003 0.000 1.826 835 I HN 0.681 nan 8.210 nan 0.000 1.073 836 S N 0.141 115.844 115.700 0.005 0.000 2.369 836 S HA -0.301 4.170 4.470 0.001 0.000 0.225 836 S C 1.715 176.315 174.600 -0.000 0.000 1.043 836 S CA 2.794 60.996 58.200 0.004 0.000 1.074 836 S CB -0.354 62.848 63.200 0.004 0.000 0.962 836 S HN 0.894 nan 8.310 nan 0.000 0.433 837 S N -1.714 113.985 115.700 -0.003 0.000 1.961 837 S HA -0.179 4.292 4.470 0.001 0.000 0.239 837 S C -0.073 174.524 174.600 -0.004 0.000 1.051 837 S CA 1.235 59.432 58.200 -0.004 0.000 1.476 837 S CB -1.853 61.344 63.200 -0.005 0.000 1.861 837 S HN 0.631 nan 8.310 nan 0.000 0.559 869 I N 0.857 121.462 120.570 0.059 0.000 2.454 869 I HA -0.149 4.022 4.170 0.001 0.000 0.254 869 I C 1.367 177.433 176.117 -0.084 0.000 1.156 869 I CA 2.038 63.369 61.300 0.052 0.000 1.433 869 I CB -0.008 38.077 38.000 0.141 0.000 1.082 869 I HN 0.215 nan 8.210 nan 0.000 0.432 870 H N -2.209 116.833 119.070 -0.046 0.000 4.855 870 H HA 0.116 4.673 4.556 0.001 0.000 0.100 870 H C 0.413 175.716 175.328 -0.043 0.000 1.272 870 H CA 0.407 56.403 56.048 -0.086 0.000 0.815 870 H CB -0.048 29.667 29.762 -0.078 0.000 1.345 870 H HN -0.033 nan 8.280 nan 0.000 0.139 871 T N 2.648 117.279 114.554 0.128 0.000 2.946 871 T HA 0.199 4.550 4.350 0.001 0.000 0.312 871 T C 0.765 175.464 174.700 -0.002 0.000 1.066 871 T CA 0.367 62.492 62.100 0.043 0.000 1.138 871 T CB -0.093 68.789 68.868 0.024 0.000 1.014 871 T HN 0.174 nan 8.240 nan 0.000 0.544 872 L N 3.474 124.677 121.223 -0.033 0.000 2.825 872 L HA 0.662 5.002 4.340 0.001 0.000 0.222 872 L C 1.530 178.365 176.870 -0.058 0.000 1.823 872 L CA -0.365 54.429 54.840 -0.078 0.000 2.706 872 L CB -0.355 41.620 42.059 -0.140 0.000 2.541 872 L HN 0.958 nan 8.230 nan 0.000 0.690 873 G N -0.176 108.569 108.800 -0.091 0.000 2.645 873 G HA2 -0.245 3.716 3.960 0.001 0.000 0.246 873 G HA3 -0.245 3.716 3.960 0.001 0.000 0.246 873 G C -0.102 174.777 174.900 -0.035 0.000 1.322 873 G CA -0.350 44.691 45.100 -0.099 0.000 0.898 873 G HN 0.607 nan 8.290 nan 0.000 0.573 874 c N 0.199 118.784 118.600 -0.025 0.000 2.767 874 c HA 0.526 5.097 4.570 0.001 0.000 0.353 874 c C 2.428 176.533 174.090 0.025 0.000 1.376 874 c CA 2.151 58.489 56.329 0.013 0.000 2.284 874 c CB -0.008 42.511 42.510 0.015 0.000 2.535 874 c HN 2.751 nan 8.230 nan 0.000 0.745 875 G N -0.349 108.471 108.800 0.034 0.000 2.550 875 G HA2 -0.272 3.689 3.960 0.001 0.000 0.233 875 G HA3 -0.272 3.689 3.960 0.001 0.000 0.233 875 G C 0.596 175.531 174.900 0.059 0.000 1.170 875 G CA 0.722 45.843 45.100 0.035 0.000 0.693 875 G HN 0.722 nan 8.290 nan 0.000 0.512 876 V N 0.736 120.700 119.914 0.083 0.000 2.743 876 V HA 0.674 4.794 4.120 0.001 0.000 0.237 876 V C 1.813 178.031 176.094 0.207 0.000 1.113 876 V CA 1.495 63.887 62.300 0.152 0.000 1.141 876 V CB -0.527 31.395 31.823 0.165 0.000 0.873 876 V HN 1.306 nan 8.190 nan 0.000 0.486 877 A N 0.275 123.208 122.820 0.188 0.000 2.286 877 A HA 0.512 4.833 4.320 0.001 0.000 0.286 877 A C -0.123 177.529 177.584 0.112 0.000 1.097 877 A CA -0.300 51.856 52.037 0.198 0.000 0.821 877 A CB 0.309 19.397 19.000 0.146 0.000 1.076 877 A HN 0.348 nan 8.150 nan 0.000 0.490 878 Q N 0.393 120.257 119.800 0.106 0.000 2.295 878 Q HA 0.247 4.588 4.340 0.001 0.000 0.259 878 Q C -0.348 175.741 176.000 0.148 0.000 0.976 878 Q CA 0.040 55.905 55.803 0.104 0.000 0.923 878 Q CB 0.776 29.571 28.738 0.096 0.000 1.185 878 Q HN 0.725 nan 8.270 nan 0.000 0.410 879 c N 2.937 121.604 118.600 0.111 0.000 2.595 879 c HA 0.519 5.090 4.570 0.001 0.000 0.384 879 c C 0.336 174.487 174.090 0.102 0.000 1.289 879 c CA -0.915 55.489 56.329 0.124 0.000 2.372 879 c CB -0.076 42.484 42.510 0.084 0.000 2.593 879 c HN 0.692 nan 8.230 nan 0.000 0.639 880 L N 2.018 123.314 121.223 0.122 0.000 2.376 880 L HA 0.601 4.942 4.340 0.001 0.000 0.275 880 L C -0.740 176.166 176.870 0.060 0.000 0.987 880 L CA -0.622 54.215 54.840 -0.004 0.000 0.828 880 L CB 0.430 42.412 42.059 -0.129 0.000 1.249 880 L HN 0.684 nan 8.230 nan 0.000 0.409 881 K N 5.052 125.453 120.400 0.001 0.000 2.221 881 K HA 0.670 4.991 4.320 0.001 0.000 0.258 881 K C -1.242 175.319 176.600 -0.065 0.000 0.944 881 K CA -0.736 55.553 56.287 0.003 0.000 0.823 881 K CB 2.124 34.638 32.500 0.022 0.000 1.113 881 K HN 0.528 nan 8.250 nan 0.000 0.431 882 I N 2.370 122.876 120.570 -0.107 0.000 2.362 882 I HA 0.207 4.378 4.170 0.001 0.000 0.289 882 I C -0.595 175.406 176.117 -0.194 0.000 0.994 882 I CA -0.669 60.502 61.300 -0.215 0.000 1.158 882 I CB 1.721 39.485 38.000 -0.393 0.000 1.315 882 I HN 0.202 nan 8.210 nan 0.000 0.451 883 V N 6.579 126.373 119.914 -0.199 0.000 2.459 883 V HA 0.566 4.687 4.120 0.001 0.000 0.295 883 V C -0.911 175.022 176.094 -0.267 0.000 1.029 883 V CA -0.149 61.986 62.300 -0.276 0.000 0.874 883 V CB 1.246 32.941 31.823 -0.213 0.000 0.985 883 V HN 0.923 nan 8.190 nan 0.000 0.438 884 c N 5.270 123.688 118.600 -0.303 0.000 2.498 884 c HA 0.633 5.204 4.570 0.001 0.000 0.316 884 c C -0.474 173.505 174.090 -0.185 0.000 1.209 884 c CA -0.852 55.350 56.329 -0.212 0.000 1.518 884 c CB 1.492 43.887 42.510 -0.192 0.000 2.147 884 c HN 0.888 nan 8.230 nan 0.000 0.483 885 Q N 1.625 121.352 119.800 -0.120 0.000 2.331 885 Q HA 0.640 4.981 4.340 0.001 0.000 0.257 885 Q C -0.299 175.671 176.000 -0.050 0.000 0.957 885 Q CA -0.063 55.689 55.803 -0.086 0.000 0.923 885 Q CB 1.204 29.905 28.738 -0.062 0.000 1.212 885 Q HN 0.587 nan 8.270 nan 0.000 0.443 886 V N 0.997 120.891 119.914 -0.032 0.000 3.093 886 V HA 0.965 5.086 4.120 0.001 0.000 0.320 886 V C 0.244 176.382 176.094 0.074 0.000 1.093 886 V CA -0.598 61.720 62.300 0.030 0.000 1.016 886 V CB 2.124 33.992 31.823 0.074 0.000 1.096 886 V HN 0.822 nan 8.190 nan 0.000 0.452 887 G N 1.589 110.478 108.800 0.149 0.000 1.895 887 G HA2 0.523 4.484 3.960 0.001 0.000 0.302 887 G HA3 0.523 4.484 3.960 0.001 0.000 0.302 887 G C -0.857 174.093 174.900 0.084 0.000 1.691 887 G CA -0.452 44.747 45.100 0.164 0.000 0.929 887 G HN 0.895 nan 8.290 nan 0.000 0.629 888 R N 0.695 121.217 120.500 0.038 0.000 2.574 888 R HA -0.101 4.239 4.340 0.001 0.000 0.276 888 R C -1.471 174.642 176.300 -0.313 0.000 1.037 888 R CA -0.018 55.999 56.100 -0.138 0.000 0.633 888 R CB -2.002 28.254 30.300 -0.073 0.000 1.579 888 R HN 0.631 nan 8.270 nan 0.000 0.360 889 L N 1.940 122.720 121.223 -0.738 0.000 2.295 889 L HA 0.489 4.830 4.340 0.001 0.000 0.281 889 L C 0.614 177.121 176.870 -0.604 0.000 1.018 889 L CA -0.896 53.509 54.840 -0.726 0.000 0.841 889 L CB 1.258 42.744 42.059 -0.955 0.000 1.218 889 L HN 0.246 nan 8.230 nan 0.000 0.424 890 D N 2.268 122.482 120.400 -0.310 0.000 2.289 890 D HA 0.025 4.665 4.640 0.001 0.000 0.266 890 D C 1.363 177.583 176.300 -0.133 0.000 1.243 890 D CA -0.305 53.587 54.000 -0.180 0.000 1.019 890 D CB 0.665 41.403 40.800 -0.103 0.000 1.126 890 D HN 0.493 nan 8.370 nan 0.000 0.541 891 R N -0.298 120.169 120.500 -0.055 0.000 2.159 891 R HA -0.061 4.280 4.340 0.001 0.000 0.237 891 R C 0.895 177.170 176.300 -0.041 0.000 1.131 891 R CA 1.457 57.541 56.100 -0.027 0.000 0.982 891 R CB -0.228 30.076 30.300 0.006 0.000 0.868 891 R HN 0.316 nan 8.270 nan 0.000 0.453 892 G N 0.696 109.463 108.800 -0.055 0.000 4.729 892 G HA2 0.328 4.288 3.960 0.001 0.000 0.258 892 G HA3 0.328 4.288 3.960 0.001 0.000 0.258 892 G C -1.318 173.543 174.900 -0.065 0.000 1.188 892 G CA -0.583 44.487 45.100 -0.051 0.000 0.866 892 G HN -0.014 nan 8.290 nan 0.000 0.562 893 K N 0.534 120.876 120.400 -0.096 0.000 2.422 893 K HA 0.750 5.070 4.320 0.001 0.000 0.251 893 K C -0.189 176.341 176.600 -0.118 0.000 0.933 893 K CA -0.534 55.690 56.287 -0.105 0.000 0.798 893 K CB 2.258 34.680 32.500 -0.130 0.000 1.238 893 K HN 0.360 nan 8.250 nan 0.000 0.428 894 S N 0.189 115.836 115.700 -0.089 0.000 2.671 894 S HA 0.912 5.383 4.470 0.001 0.000 0.299 894 S C -1.120 173.434 174.600 -0.077 0.000 1.116 894 S CA -0.967 57.181 58.200 -0.086 0.000 0.912 894 S CB 1.941 65.101 63.200 -0.068 0.000 1.130 894 S HN 0.548 nan 8.310 nan 0.000 0.501 895 A N 1.356 124.128 122.820 -0.080 0.000 2.356 895 A HA 0.752 5.072 4.320 0.001 0.000 0.310 895 A C -0.656 176.856 177.584 -0.120 0.000 1.075 895 A CA -0.856 51.132 52.037 -0.081 0.000 0.746 895 A CB 0.585 19.551 19.000 -0.058 0.000 1.221 895 A HN 0.785 nan 8.150 nan 0.000 0.443 896 I N 2.067 122.528 120.570 -0.181 0.000 2.509 896 I HA 0.488 4.659 4.170 0.001 0.000 0.293 896 I C -0.683 175.129 176.117 -0.510 0.000 1.020 896 I CA -0.567 60.515 61.300 -0.363 0.000 1.088 896 I CB 1.512 39.196 38.000 -0.527 0.000 1.267 896 I HN 0.601 nan 8.210 nan 0.000 0.430 897 L N 6.384 127.334 121.223 -0.455 0.000 2.319 897 L HA 0.462 4.803 4.340 0.001 0.000 0.281 897 L C -1.481 175.209 176.870 -0.301 0.000 1.005 897 L CA -0.592 54.060 54.840 -0.313 0.000 0.828 897 L CB 1.429 43.411 42.059 -0.128 0.000 1.227 897 L HN 0.518 nan 8.230 nan 0.000 0.415 898 Y N 4.459 124.785 120.300 0.043 0.000 2.595 898 Y HA 0.314 4.864 4.550 0.001 0.000 0.336 898 Y C 0.252 176.149 175.900 -0.005 0.000 0.996 898 Y CA -0.948 57.167 58.100 0.025 0.000 1.260 898 Y CB 1.180 39.639 38.460 -0.002 0.000 1.108 898 Y HN 0.196 nan 8.280 nan 0.000 0.509 899 V N 4.039 124.033 119.914 0.133 0.000 2.488 899 V HA 0.150 4.271 4.120 0.001 0.000 0.277 899 V C 0.056 176.150 176.094 -0.001 0.000 1.046 899 V CA -0.857 61.431 62.300 -0.020 0.000 0.986 899 V CB 1.175 32.903 31.823 -0.160 0.000 0.989 899 V HN 0.594 nan 8.190 nan 0.000 0.475 900 K N 3.805 124.164 120.400 -0.068 0.000 2.404 900 K HA 0.479 4.799 4.320 0.001 0.000 0.257 900 K C 0.034 176.658 176.600 0.040 0.000 1.026 900 K CA -0.184 56.110 56.287 0.011 0.000 0.951 900 K CB 0.941 33.440 32.500 -0.000 0.000 1.203 900 K HN 0.791 nan 8.250 nan 0.000 0.446 901 S N 3.040 118.802 115.700 0.103 0.000 2.495 901 S HA 0.582 5.053 4.470 0.001 0.000 0.273 901 S C -0.558 174.172 174.600 0.218 0.000 1.156 901 S CA -0.676 57.634 58.200 0.182 0.000 1.032 901 S CB 0.462 63.852 63.200 0.316 0.000 1.160 901 S HN 0.566 nan 8.310 nan 0.000 0.489 902 L N 1.575 122.951 121.223 0.254 0.000 2.973 902 L HA 0.213 4.554 4.340 0.001 0.000 0.254 902 L C -1.318 175.671 176.870 0.197 0.000 0.947 902 L CA -0.346 54.614 54.840 0.201 0.000 1.064 902 L CB 1.340 43.528 42.059 0.216 0.000 1.534 902 L HN 0.443 nan 8.230 nan 0.000 0.504 903 L N 2.983 124.265 121.223 0.098 0.000 2.638 903 L HA 0.035 4.375 4.340 0.001 0.000 0.273 903 L C -0.528 176.340 176.870 -0.003 0.000 1.147 903 L CA 0.496 55.364 54.840 0.046 0.000 0.941 903 L CB 0.055 42.090 42.059 -0.040 0.000 1.251 903 L HN 0.704 nan 8.230 nan 0.000 0.479 904 W N 5.832 127.068 121.300 -0.106 0.000 2.565 904 W HA 0.097 4.758 4.660 0.001 0.000 0.325 904 W C 1.233 177.585 176.519 -0.278 0.000 1.408 904 W CA -0.077 57.173 57.345 -0.158 0.000 1.350 904 W CB 0.431 29.840 29.460 -0.086 0.000 1.426 904 W HN 0.582 nan 8.180 nan 0.000 0.538 905 T N 4.046 118.183 114.554 -0.694 0.000 3.745 905 T HA -0.096 4.255 4.350 0.001 0.000 0.253 905 T C 0.793 174.979 174.700 -0.857 0.000 1.088 905 T CA 0.360 61.867 62.100 -0.989 0.000 0.969 905 T CB -0.329 67.371 68.868 -1.946 0.000 1.075 905 T HN 0.303 nan 8.240 nan 0.000 0.608 906 E N 0.628 120.636 120.200 -0.319 0.000 2.463 906 E HA 0.090 4.441 4.350 0.001 0.000 0.193 906 E C 1.461 178.111 176.600 0.084 0.000 1.041 906 E CA 0.024 56.408 56.400 -0.027 0.000 0.879 906 E CB -0.141 29.711 29.700 0.254 0.000 0.997 906 E HN 0.367 nan 8.360 nan 0.000 0.478 907 T N 0.681 115.232 114.554 -0.005 0.000 3.308 907 T HA 0.036 4.386 4.350 0.001 0.000 0.255 907 T C 0.859 175.769 174.700 0.349 0.000 1.162 907 T CA 0.072 62.167 62.100 -0.008 0.000 1.031 907 T CB -0.219 68.580 68.868 -0.116 0.000 0.973 907 T HN -0.010 nan 8.240 nan 0.000 0.544 908 F N 1.265 121.302 119.950 0.146 0.000 2.007 908 F HA 0.246 4.773 4.527 0.001 0.000 0.294 908 F C 1.713 177.749 175.800 0.393 0.000 1.351 908 F CA -0.193 58.014 58.000 0.346 0.000 1.152 908 F CB -0.718 38.446 39.000 0.274 0.000 0.947 908 F HN 0.079 nan 8.300 nan 0.000 0.504 909 M N 1.278 121.173 119.600 0.490 0.000 2.333 909 M HA -0.285 4.196 4.480 0.001 0.000 0.199 909 M C 0.463 176.857 176.300 0.158 0.000 0.376 909 M CA 0.554 56.026 55.300 0.287 0.000 0.440 909 M CB -2.017 30.750 32.600 0.279 0.000 1.506 909 M HN 0.460 nan 8.290 nan 0.000 0.889 910 N N -1.017 117.709 118.700 0.043 0.000 2.617 910 N HA -0.058 4.683 4.740 0.001 0.000 0.198 910 N C 1.099 176.479 175.510 -0.215 0.000 1.317 910 N CA 1.095 53.986 53.050 -0.265 0.000 0.892 910 N CB 0.026 38.135 38.487 -0.631 0.000 1.041 910 N HN 0.770 nan 8.380 nan 0.000 0.450 911 K N 0.352 120.706 120.400 -0.077 0.000 2.118 911 K HA 0.048 4.369 4.320 0.001 0.000 0.214 911 K C 1.276 177.839 176.600 -0.062 0.000 1.023 911 K CA 0.253 56.502 56.287 -0.063 0.000 0.948 911 K CB -0.009 32.486 32.500 -0.009 0.000 0.851 911 K HN -0.018 nan 8.250 nan 0.000 0.455 912 E N 0.624 120.811 120.200 -0.022 0.000 2.046 912 E HA -0.094 4.257 4.350 0.001 0.000 0.190 912 E C 1.252 177.828 176.600 -0.041 0.000 0.982 912 E CA 1.193 57.579 56.400 -0.023 0.000 0.800 912 E CB -0.048 29.656 29.700 0.007 0.000 0.756 912 E HN 0.246 nan 8.360 nan 0.000 0.449 913 N N -0.942 117.735 118.700 -0.038 0.000 2.289 913 N HA 0.028 4.769 4.740 0.001 0.000 0.109 913 N C -0.657 174.777 175.510 -0.127 0.000 1.647 913 N CA -0.101 52.910 53.050 -0.065 0.000 1.181 913 N CB 0.379 38.851 38.487 -0.024 0.000 1.080 913 N HN -0.227 nan 8.380 nan 0.000 0.310 914 Q N 1.598 121.327 119.800 -0.118 0.000 2.769 914 Q HA 0.256 4.597 4.340 0.001 0.000 0.375 914 Q C -0.572 175.454 176.000 0.044 0.000 0.996 914 Q CA -0.141 55.538 55.803 -0.207 0.000 1.042 914 Q CB -0.304 28.211 28.738 -0.373 0.000 1.329 914 Q HN 0.629 nan 8.270 nan 0.000 0.427 915 N N -0.797 117.927 118.700 0.040 0.000 2.461 915 N HA -0.146 4.595 4.740 0.001 0.000 0.188 915 N C 1.465 177.052 175.510 0.127 0.000 1.134 915 N CA 0.354 53.479 53.050 0.125 0.000 0.878 915 N CB -0.078 38.564 38.487 0.259 0.000 0.972 915 N HN 0.292 nan 8.380 nan 0.000 0.456 916 H N 0.594 119.573 119.070 -0.151 0.000 2.394 916 H HA -0.087 4.470 4.556 0.001 0.000 0.297 916 H C -0.432 174.935 175.328 0.065 0.000 1.113 916 H CA 1.445 57.490 56.048 -0.006 0.000 1.277 916 H CB -0.822 28.881 29.762 -0.099 0.000 1.370 916 H HN 0.341 nan 8.280 nan 0.000 0.506 917 S N -1.357 113.826 115.700 -0.862 0.000 2.584 917 S HA 0.528 4.998 4.470 0.001 0.000 0.280 917 S C -1.638 172.438 174.600 -0.873 0.000 1.162 917 S CA -1.072 56.674 58.200 -0.756 0.000 0.951 917 S CB 0.773 63.563 63.200 -0.683 0.000 1.108 917 S HN 0.287 nan 8.310 nan 0.000 0.464 918 Y N 0.706 120.869 120.300 -0.229 0.000 2.536 918 Y HA 0.784 5.335 4.550 0.001 0.000 0.347 918 Y C 0.417 176.248 175.900 -0.115 0.000 1.000 918 Y CA -0.964 57.032 58.100 -0.174 0.000 1.051 918 Y CB 2.403 40.779 38.460 -0.140 0.000 1.259 918 Y HN 0.762 nan 8.280 nan 0.000 0.468 919 S N 3.448 119.193 115.700 0.075 0.000 2.718 919 S HA 0.469 4.939 4.470 0.001 0.000 0.294 919 S C -1.205 173.381 174.600 -0.024 0.000 1.157 919 S CA -0.747 57.459 58.200 0.009 0.000 1.121 919 S CB -0.312 62.895 63.200 0.012 0.000 1.015 919 S HN 0.618 nan 8.310 nan 0.000 0.479 920 L N 4.734 125.927 121.223 -0.050 0.000 2.515 920 L HA 0.372 4.713 4.340 0.001 0.000 0.281 920 L C 0.651 177.465 176.870 -0.092 0.000 1.131 920 L CA -0.186 54.595 54.840 -0.098 0.000 0.905 920 L CB -0.159 41.827 42.059 -0.122 0.000 1.246 920 L HN 0.511 nan 8.230 nan 0.000 0.463 921 K N 2.330 122.672 120.400 -0.098 0.000 2.172 921 K HA 0.412 4.733 4.320 0.001 0.000 0.276 921 K C -0.421 176.116 176.600 -0.105 0.000 1.013 921 K CA -0.222 56.026 56.287 -0.064 0.000 0.913 921 K CB 1.455 33.933 32.500 -0.037 0.000 1.055 921 K HN 0.537 nan 8.250 nan 0.000 0.461 922 S N 1.685 117.385 115.700 -0.000 0.000 2.538 922 S HA 0.528 4.998 4.470 0.001 0.000 0.288 922 S C -1.721 173.017 174.600 0.231 0.000 1.108 922 S CA -0.653 57.585 58.200 0.064 0.000 0.971 922 S CB 1.172 64.494 63.200 0.203 0.000 1.041 922 S HN 0.628 nan 8.310 nan 0.000 0.483 923 S N 2.606 118.401 115.700 0.158 0.000 2.614 923 S HA 0.837 5.307 4.470 0.001 0.000 0.275 923 S C -0.648 173.896 174.600 -0.093 0.000 1.161 923 S CA -0.783 57.476 58.200 0.099 0.000 0.969 923 S CB 1.221 64.459 63.200 0.063 0.000 1.059 923 S HN 1.147 nan 8.310 nan 0.000 0.482 924 A N 2.225 124.869 122.820 -0.294 0.000 2.355 924 A HA 0.972 5.293 4.320 0.001 0.000 0.324 924 A C 0.078 177.605 177.584 -0.095 0.000 1.117 924 A CA -0.664 51.146 52.037 -0.378 0.000 0.785 924 A CB 1.438 19.874 19.000 -0.940 0.000 1.254 924 A HN 1.701 nan 8.150 nan 0.000 0.453 925 S N 0.047 115.748 115.700 0.002 0.000 2.661 925 S HA 0.924 5.394 4.470 0.001 0.000 0.285 925 S C -0.649 174.082 174.600 0.217 0.000 1.138 925 S CA -0.580 57.686 58.200 0.111 0.000 0.855 925 S CB 1.373 64.589 63.200 0.026 0.000 1.136 925 S HN 1.744 nan 8.310 nan 0.000 0.484 926 F N -0.772 119.174 119.950 -0.007 0.000 2.662 926 F HA 0.858 5.386 4.527 0.001 0.000 0.312 926 F C -1.419 174.362 175.800 -0.031 0.000 1.113 926 F CA -0.842 57.148 58.000 -0.017 0.000 0.951 926 F CB 1.656 40.627 39.000 -0.048 0.000 1.344 926 F HN 0.683 nan 8.300 nan 0.000 0.462 927 N N 1.490 120.095 118.700 -0.158 0.000 2.549 927 N HA 0.333 5.074 4.740 0.001 0.000 0.290 927 N C -2.081 173.319 175.510 -0.183 0.000 1.122 927 N CA -0.448 52.434 53.050 -0.280 0.000 0.885 927 N CB 2.114 40.504 38.487 -0.162 0.000 1.455 927 N HN 0.650 nan 8.380 nan 0.000 0.521 928 V N 5.851 125.627 119.914 -0.229 0.000 2.415 928 V HA 0.136 4.256 4.120 0.001 0.000 0.267 928 V C 1.878 177.826 176.094 -0.243 0.000 1.042 928 V CA -0.165 61.887 62.300 -0.414 0.000 1.000 928 V CB -0.087 31.420 31.823 -0.525 0.000 1.015 928 V HN 0.717 nan 8.190 nan 0.000 0.478 929 I N 1.252 121.684 120.570 -0.230 0.000 3.228 929 I HA 0.418 4.589 4.170 0.001 0.000 0.279 929 I C 0.725 176.847 176.117 0.008 0.000 1.221 929 I CA 0.609 61.864 61.300 -0.075 0.000 1.458 929 I CB 0.388 38.348 38.000 -0.067 0.000 1.105 929 I HN 0.606 nan 8.210 nan 0.000 0.445 930 E N 0.589 120.734 120.200 -0.092 0.000 2.372 930 E HA 0.576 4.927 4.350 0.001 0.000 0.279 930 E C -1.763 174.832 176.600 -0.008 0.000 0.946 930 E CA -0.678 55.769 56.400 0.079 0.000 0.769 930 E CB 2.292 32.014 29.700 0.037 0.000 1.230 930 E HN 0.148 nan 8.360 nan 0.000 0.442 931 F N 1.750 121.703 119.950 0.005 0.000 2.611 931 F HA 0.425 4.953 4.527 0.001 0.000 0.324 931 F C -1.740 173.937 175.800 -0.204 0.000 1.061 931 F CA -1.997 55.972 58.000 -0.053 0.000 0.954 931 F CB 1.700 40.716 39.000 0.026 0.000 1.301 931 F HN 0.367 nan 8.300 nan 0.000 0.482 932 P HA -0.056 nan 4.420 nan 0.000 0.222 932 P C -0.966 176.154 177.300 -0.299 0.000 1.153 932 P CA 1.065 63.948 63.100 -0.360 0.000 0.798 932 P CB 0.032 31.423 31.700 -0.516 0.000 0.796 933 Y N -0.473 119.907 120.300 0.134 0.000 2.313 933 Y HA 0.326 4.876 4.550 0.001 0.000 0.332 933 Y C 1.731 177.660 175.900 0.049 0.000 1.071 933 Y CA -0.533 57.609 58.100 0.070 0.000 1.169 933 Y CB 1.031 39.522 38.460 0.051 0.000 1.192 933 Y HN -0.283 nan 8.280 nan 0.000 0.487 934 K N 2.417 122.904 120.400 0.145 0.000 2.435 934 K HA 0.075 4.396 4.320 0.001 0.000 0.199 934 K C 0.431 177.067 176.600 0.060 0.000 1.153 934 K CA 0.398 56.734 56.287 0.081 0.000 0.974 934 K CB 0.126 32.658 32.500 0.054 0.000 0.997 934 K HN 0.898 nan 8.250 nan 0.000 0.547 935 N N 0.511 119.254 118.700 0.070 0.000 2.120 935 N HA -0.088 4.652 4.740 0.001 0.000 0.188 935 N C 0.125 175.642 175.510 0.012 0.000 1.024 935 N CA 0.551 53.621 53.050 0.035 0.000 0.852 935 N CB 0.126 38.632 38.487 0.032 0.000 1.003 935 N HN 0.007 nan 8.380 nan 0.000 0.424 936 L N 1.847 123.080 121.223 0.017 0.000 2.395 936 L HA 0.232 4.573 4.340 0.001 0.000 0.269 936 L C -1.949 174.897 176.870 -0.040 0.000 1.133 936 L CA -1.656 53.168 54.840 -0.026 0.000 0.812 936 L CB -0.273 41.753 42.059 -0.056 0.000 1.125 936 L HN 0.009 nan 8.230 nan 0.000 0.452 937 P HA 0.120 nan 4.420 nan 0.000 0.264 937 P C -0.407 176.828 177.300 -0.109 0.000 1.537 937 P CA -0.336 62.727 63.100 -0.062 0.000 1.189 937 P CB -0.320 31.353 31.700 -0.045 0.000 1.687 938 I N 1.116 121.583 120.570 -0.172 0.000 2.371 938 I HA 0.386 4.557 4.170 0.001 0.000 0.290 938 I C 0.487 176.464 176.117 -0.234 0.000 1.028 938 I CA -0.534 60.549 61.300 -0.361 0.000 1.345 938 I CB 0.541 38.111 38.000 -0.715 0.000 1.407 938 I HN 0.138 nan 8.210 nan 0.000 0.501 939 E N 3.607 123.699 120.200 -0.179 0.000 2.222 939 E HA 0.422 4.773 4.350 0.001 0.000 0.267 939 E C -1.279 175.362 176.600 0.069 0.000 0.963 939 E CA -0.743 55.635 56.400 -0.037 0.000 0.837 939 E CB 1.163 30.857 29.700 -0.010 0.000 1.183 939 E HN 0.573 nan 8.360 nan 0.000 0.403 940 D N 1.122 121.571 120.400 0.082 0.000 2.389 940 D HA 0.285 4.926 4.640 0.001 0.000 0.247 940 D C -0.267 176.074 176.300 0.067 0.000 1.128 940 D CA 0.023 54.087 54.000 0.107 0.000 0.884 940 D CB 0.560 41.379 40.800 0.031 0.000 1.194 940 D HN 0.319 nan 8.370 nan 0.000 0.441 941 I N 2.027 122.641 120.570 0.074 0.000 2.359 941 I HA 0.343 4.514 4.170 0.001 0.000 0.294 941 I C 0.083 176.050 176.117 -0.249 0.000 0.987 941 I CA -0.187 61.128 61.300 0.025 0.000 1.225 941 I CB 1.442 39.551 38.000 0.182 0.000 1.366 941 I HN 0.165 nan 8.210 nan 0.000 0.466 942 T N 4.670 118.998 114.554 -0.377 0.000 2.889 942 T HA 0.485 4.836 4.350 0.001 0.000 0.315 942 T C -0.949 173.422 174.700 -0.548 0.000 1.291 942 T CA -0.871 60.785 62.100 -0.740 0.000 1.028 942 T CB 2.240 70.865 68.868 -0.405 0.000 1.235 942 T HN 0.604 nan 8.240 nan 0.000 0.491 943 N N 0.060 118.388 118.700 -0.621 0.000 3.836 943 N HA 0.532 5.273 4.740 0.001 0.000 0.229 943 N C -1.690 173.868 175.510 0.081 0.000 1.375 943 N CA -0.190 52.812 53.050 -0.079 0.000 0.838 943 N CB 1.665 40.283 38.487 0.218 0.000 1.447 943 N HN 0.870 nan 8.380 nan 0.000 0.458 944 S N -0.863 114.918 115.700 0.136 0.000 2.705 944 S HA 0.866 5.336 4.470 0.001 0.000 0.280 944 S C -0.983 173.703 174.600 0.142 0.000 1.174 944 S CA -0.302 57.983 58.200 0.141 0.000 0.823 944 S CB 2.228 65.464 63.200 0.060 0.000 1.162 944 S HN 0.712 nan 8.310 nan 0.000 0.487 945 T N 0.012 114.652 114.554 0.143 0.000 2.718 945 T HA 0.620 4.971 4.350 0.001 0.000 0.306 945 T C -1.851 172.974 174.700 0.207 0.000 1.485 945 T CA -0.601 61.596 62.100 0.163 0.000 0.997 945 T CB 1.057 70.042 68.868 0.195 0.000 1.504 945 T HN 1.209 nan 8.240 nan 0.000 0.497 946 L N -0.528 120.805 121.223 0.184 0.000 2.277 946 L HA 1.067 5.408 4.340 0.001 0.000 0.254 946 L C -1.516 175.427 176.870 0.121 0.000 1.044 946 L CA -1.182 53.774 54.840 0.192 0.000 0.842 946 L CB 1.917 44.031 42.059 0.092 0.000 1.422 946 L HN 0.417 nan 8.230 nan 0.000 0.422 947 V N -0.054 119.905 119.914 0.075 0.000 2.697 947 V HA 0.434 4.554 4.120 0.001 0.000 0.300 947 V C -0.346 175.676 176.094 -0.121 0.000 1.115 947 V CA -0.139 62.081 62.300 -0.134 0.000 0.912 947 V CB 2.268 33.867 31.823 -0.373 0.000 1.024 947 V HN 1.042 nan 8.190 nan 0.000 0.431 948 T N 0.537 114.998 114.554 -0.155 0.000 2.925 948 T HA 0.750 5.100 4.350 0.001 0.000 0.285 948 T C -0.290 174.334 174.700 -0.126 0.000 1.021 948 T CA -0.780 61.257 62.100 -0.106 0.000 1.042 948 T CB 1.945 70.754 68.868 -0.099 0.000 1.037 948 T HN 0.518 nan 8.240 nan 0.000 0.481 949 T N 2.936 117.457 114.554 -0.054 0.000 2.985 949 T HA 0.390 4.741 4.350 0.001 0.000 0.315 949 T C -0.822 173.833 174.700 -0.076 0.000 1.001 949 T CA -0.845 61.233 62.100 -0.037 0.000 1.016 949 T CB 0.408 69.337 68.868 0.101 0.000 0.993 949 T HN 0.560 nan 8.240 nan 0.000 0.454 950 N N 2.614 121.219 118.700 -0.159 0.000 2.422 950 N HA 0.374 5.115 4.740 0.001 0.000 0.266 950 N C -0.053 175.378 175.510 -0.132 0.000 1.007 950 N CA -0.510 52.431 53.050 -0.181 0.000 0.941 950 N CB 1.694 39.974 38.487 -0.344 0.000 1.115 950 N HN 0.494 nan 8.380 nan 0.000 0.492 951 V N -0.083 119.791 119.914 -0.067 0.000 2.277 951 V HA 0.524 4.645 4.120 0.001 0.000 0.269 951 V C 0.524 176.572 176.094 -0.076 0.000 1.036 951 V CA -0.773 61.481 62.300 -0.077 0.000 0.821 951 V CB -0.030 31.757 31.823 -0.061 0.000 1.052 951 V HN 0.616 nan 8.190 nan 0.000 0.462 952 T N -0.115 114.380 114.554 -0.098 0.000 2.923 952 T HA 0.492 4.843 4.350 0.001 0.000 0.281 952 T C 0.091 174.759 174.700 -0.053 0.000 0.995 952 T CA -0.466 61.623 62.100 -0.019 0.000 0.985 952 T CB 1.603 70.536 68.868 0.110 0.000 1.114 952 T HN 0.580 nan 8.240 nan 0.000 0.548 953 W N 0.258 121.618 121.300 0.101 0.000 3.256 953 W HA 0.342 5.002 4.660 0.001 0.000 0.269 953 W C 2.028 178.638 176.519 0.152 0.000 1.310 953 W CA 0.577 57.989 57.345 0.112 0.000 1.673 953 W CB -0.561 28.935 29.460 0.059 0.000 1.115 953 W HN 1.282 nan 8.180 nan 0.000 0.686 954 G N 1.094 110.122 108.800 0.380 0.000 4.982 954 G HA2 -0.444 3.516 3.960 0.001 0.000 0.351 954 G HA3 -0.444 3.516 3.960 0.001 0.000 0.351 954 G C 1.007 175.997 174.900 0.150 0.000 1.462 954 G CA 1.520 46.790 45.100 0.283 0.000 1.248 954 G HN 0.094 nan 8.290 nan 0.000 0.842 955 I N 1.268 121.918 120.570 0.134 0.000 2.270 955 I HA 0.171 4.342 4.170 0.001 0.000 0.239 955 I C 1.560 177.738 176.117 0.102 0.000 1.080 955 I CA 1.948 63.300 61.300 0.086 0.000 1.383 955 I CB -1.368 36.668 38.000 0.060 0.000 1.097 955 I HN 0.786 nan 8.210 nan 0.000 0.420 956 Q N 0.000 119.885 119.800 0.142 0.000 2.315 956 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 956 Q CA 0.000 55.848 55.803 0.074 0.000 1.022 956 Q CB 0.000 28.780 28.738 0.070 0.000 1.108 956 Q HN 0.000 nan 8.270 nan 0.000 0.481