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 2ckj_1_D DATA FIRST_RESID 3 DATA SEQUENCE ADKLVFFVNG RKVVEKNADP ETTLLAYLRR KLGLSGTKLG CGEGGCGACT DATA SEQUENCE VMLSKYDRLQ NKIVHFSANA CLAPICSLHH VAVTTVEGIG STKTRLHPVQ DATA SEQUENCE ERIAKSHGSQ CGFCTPGIVM SMYTLLRNQP EPTMEEIENA FQGNLCRCTG DATA SEQUENCE YRPILQGFRT FARXXXXXXX XXXXXXXXXX XXXXXXXXXX PSLFKPEEFT DATA SEQUENCE PLDPTQEPIF PPELLRLKDT PRKQLRFEGE RVTWIQASTL KELLDLKAQH DATA SEQUENCE PDAKLVVGNT EIGIEMKFKN MLFPMIVCPA WIPELNSVEH GPDGISFGAA DATA SEQUENCE CPLSIVEKTL VDAVAKLPAQ KTEVFRGVLE QLRWFAGKQV KSVASVGGNI DATA SEQUENCE ITASPISDLN PVFMASGAKL TLVSRGTRRT VQMDHTFFPG YRKTLLSPEE DATA SEQUENCE ILLSIEIPYS REGEYFSAFK QASRREDDIA KVTSGMRVLF KPGTTEVQEL DATA SEQUENCE ALCYGGMANR TISALKTTQR QLSKLWKEEL LQDVCAGLAE ELHLPPDAPG DATA SEQUENCE GMVDFRcTLT LSFFFKFYLT VLQKLGQENL EDKcGKLDPX XXXXXXXXXX DATA SEQUENCE XXXXDVQLFQ EVPKGQSEED MVGRPLPHLA ADMQASGEAV YCDDIPRYEN DATA SEQUENCE ELSLRLVTST RAHAKIKSID TSEAKKVPGF VCFISADDVP GSNITGICND DATA SEQUENCE ETVFAKDKVT CVGHIIGAVV ADTPEHTQRA AQGVKITYEE LPAIITIEDA DATA SEQUENCE IKNNSFYGPE LKIEKGDLKK GFSEADNVVS GEIYIGGQEH FYLETHCTIA DATA SEQUENCE VPKGEAGEME LFVSTQNTMK TQSFVAKMLG VPANRIVVRV KRMGGGFGGK DATA SEQUENCE ETRSTVVSTA VALAAYKTGR PVRCMLDRDE DMLITGGRHP FLARYKVGFM DATA SEQUENCE KTGTVVALEV DHFSNVGNTQ DLSQSIMERA LFHMDNCYKI PNIRGTGRLC DATA SEQUENCE KTNLPSNTAF RGFGGPQGML IAECWMSEVA VTCGMPAEEV RRKNLYKEGD DATA SEQUENCE LTHFNQKLEG FTLPRCWEEC LASSQYHARK SEVDKFNKEN cWKKRGLCII DATA SEQUENCE PTKFGISFTV PFLNQAGALL HVYTDGSVLL THGGTEMGQG LHTKMVQVAS DATA SEQUENCE RALKIPTSKI YISETSTNTV PNTSPTAASV SADLNGQAVY AACQTILKRL DATA SEQUENCE EPYKKKNPSG SWEDWVTAAY MDTVSLSATG FYRTPNLGYS FETNSGNPFH DATA SEQUENCE YFSYGVACSE VEIDCLTGDH KNLRTDIVMD VGSSLNPAID IGQVEGAFVQ DATA SEQUENCE GLGLFTLEEL HYSPEGSLHT RGPSTYKIPA FGSIPIEFRV SLLRDCPNKK DATA SEQUENCE AIYASKAVGE PPLFLAASIF FAIKDAIRAA RAQHTGNNVK ELFRLDSPAT DATA SEQUENCE PEKIRNACVD KFTTLcVTXX XXXCKPWSVR 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.607 177.584 0.038 0.000 1.274 3 A CA 0.000 52.046 52.037 0.014 0.000 0.836 3 A CB 0.000 19.002 19.000 0.003 0.000 0.831 4 D N 0.480 120.942 120.400 0.104 0.000 2.409 4 D HA 0.129 4.769 4.640 -0.000 0.000 0.301 4 D C 0.006 176.423 176.300 0.195 0.000 1.095 4 D CA 0.691 54.803 54.000 0.187 0.000 0.929 4 D CB 0.218 41.090 40.800 0.118 0.000 1.623 4 D HN 0.581 nan 8.370 nan 0.000 0.506 5 K N 1.896 122.361 120.400 0.108 0.000 2.436 5 K HA 0.150 4.470 4.320 -0.000 0.000 0.282 5 K C 0.361 176.959 176.600 -0.003 0.000 1.044 5 K CA 0.005 56.323 56.287 0.051 0.000 1.028 5 K CB 0.993 33.524 32.500 0.051 0.000 0.919 5 K HN 0.150 nan 8.250 nan 0.000 0.474 6 L N 2.545 123.684 121.223 -0.140 0.000 2.375 6 L HA 0.491 4.831 4.340 -0.000 0.000 0.271 6 L C -0.937 175.911 176.870 -0.036 0.000 1.107 6 L CA -0.760 53.913 54.840 -0.278 0.000 0.806 6 L CB 1.053 42.788 42.059 -0.541 0.000 1.146 6 L HN 0.283 nan 8.230 nan 0.000 0.447 7 V N 5.571 125.621 119.914 0.225 0.000 2.567 7 V HA 0.529 4.649 4.120 -0.000 0.000 0.298 7 V C -0.553 175.857 176.094 0.528 0.000 1.047 7 V CA -0.346 62.148 62.300 0.322 0.000 0.880 7 V CB 1.215 33.309 31.823 0.452 0.000 1.009 7 V HN 0.844 nan 8.190 nan 0.000 0.429 8 F N 2.199 122.160 119.950 0.019 0.000 2.754 8 F HA 0.884 5.411 4.527 -0.000 0.000 0.320 8 F C -1.773 173.933 175.800 -0.156 0.000 1.156 8 F CA -1.452 56.597 58.000 0.081 0.000 0.950 8 F CB 1.676 40.743 39.000 0.111 0.000 1.388 8 F HN 0.232 nan 8.300 nan 0.000 0.485 9 F N 1.181 121.223 119.950 0.152 0.000 2.518 9 F HA 0.672 5.199 4.527 -0.000 0.000 0.323 9 F C -0.874 174.972 175.800 0.076 0.000 1.129 9 F CA -1.017 56.986 58.000 0.004 0.000 0.920 9 F CB 2.334 41.311 39.000 -0.039 0.000 1.160 9 F HN 0.339 nan 8.300 nan 0.000 0.440 10 V N 4.455 124.479 119.914 0.183 0.000 2.376 10 V HA 0.289 4.409 4.120 -0.000 0.000 0.287 10 V C -0.294 175.863 176.094 0.105 0.000 1.015 10 V CA -0.974 61.426 62.300 0.166 0.000 0.834 10 V CB 1.280 33.185 31.823 0.138 0.000 1.001 10 V HN 0.859 nan 8.190 nan 0.000 0.428 11 N N 4.408 123.158 118.700 0.082 0.000 2.714 11 N HA -0.218 4.522 4.740 -0.000 0.000 0.250 11 N C 1.007 176.541 175.510 0.040 0.000 1.117 11 N CA 1.858 54.929 53.050 0.035 0.000 0.719 11 N CB -1.093 37.401 38.487 0.012 0.000 1.081 11 N HN 1.354 nan 8.380 nan 0.000 0.557 12 G N -1.474 107.373 108.800 0.078 0.000 2.697 12 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.200 12 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.200 12 G C 0.095 175.118 174.900 0.205 0.000 1.106 12 G CA 0.070 45.210 45.100 0.066 0.000 0.748 12 G HN 0.426 nan 8.290 nan 0.000 0.503 13 R N 1.311 121.914 120.500 0.171 0.000 2.459 13 R HA 0.522 4.862 4.340 -0.000 0.000 0.281 13 R C 0.336 176.638 176.300 0.003 0.000 1.050 13 R CA -0.444 55.722 56.100 0.109 0.000 1.055 13 R CB 1.054 31.358 30.300 0.007 0.000 1.045 13 R HN 0.287 nan 8.270 nan 0.000 0.495 14 K N 1.612 121.853 120.400 -0.265 0.000 2.154 14 K HA 0.273 4.593 4.320 -0.000 0.000 0.264 14 K C -1.174 175.053 176.600 -0.621 0.000 1.008 14 K CA -0.314 55.407 56.287 -0.944 0.000 0.937 14 K CB 1.108 33.153 32.500 -0.759 0.000 1.002 14 K HN 0.228 nan 8.250 nan 0.000 0.469 15 V N 3.708 123.173 119.914 -0.749 0.000 2.524 15 V HA 0.194 4.314 4.120 -0.000 0.000 0.297 15 V C -0.974 174.821 176.094 -0.498 0.000 1.035 15 V CA -0.894 61.061 62.300 -0.574 0.000 0.867 15 V CB 1.913 33.278 31.823 -0.763 0.000 1.004 15 V HN 0.542 nan 8.190 nan 0.000 0.426 16 V N 4.607 124.348 119.914 -0.288 0.000 2.277 16 V HA 0.407 4.527 4.120 -0.000 0.000 0.269 16 V C -0.093 175.936 176.094 -0.109 0.000 1.036 16 V CA -0.428 61.771 62.300 -0.169 0.000 0.821 16 V CB 1.542 33.297 31.823 -0.113 0.000 1.052 16 V HN 0.921 nan 8.190 nan 0.000 0.462 17 E N 4.050 124.184 120.200 -0.110 0.000 2.146 17 E HA 0.307 4.657 4.350 -0.000 0.000 0.282 17 E C 0.715 177.275 176.600 -0.067 0.000 0.989 17 E CA -0.174 56.192 56.400 -0.058 0.000 0.799 17 E CB 1.474 31.137 29.700 -0.062 0.000 1.088 17 E HN 0.439 nan 8.360 nan 0.000 0.397 18 K N 2.929 123.311 120.400 -0.030 0.000 2.296 18 K HA 0.130 4.450 4.320 -0.000 0.000 0.200 18 K C 0.267 176.864 176.600 -0.006 0.000 1.048 18 K CA 0.600 56.879 56.287 -0.012 0.000 0.966 18 K CB 0.314 32.814 32.500 0.000 0.000 0.754 18 K HN 0.364 nan 8.250 nan 0.000 0.466 19 N N -0.465 118.218 118.700 -0.027 0.000 2.381 19 N HA 0.134 4.874 4.740 -0.000 0.000 0.257 19 N C -1.446 174.037 175.510 -0.044 0.000 1.409 19 N CA -0.045 53.000 53.050 -0.009 0.000 0.836 19 N CB 1.303 39.796 38.487 0.011 0.000 1.384 19 N HN 0.014 nan 8.380 nan 0.000 0.490 20 A N 0.381 123.109 122.820 -0.153 0.000 2.462 20 A HA 0.143 4.463 4.320 -0.000 0.000 0.243 20 A C 0.130 177.619 177.584 -0.159 0.000 1.076 20 A CA 0.282 52.179 52.037 -0.234 0.000 0.773 20 A CB 0.381 19.067 19.000 -0.524 0.000 1.010 20 A HN 0.116 nan 8.150 nan 0.000 0.493 21 D N 2.501 122.836 120.400 -0.108 0.000 2.317 21 D HA 0.344 4.984 4.640 -0.000 0.000 0.234 21 D C -1.805 174.445 176.300 -0.084 0.000 1.112 21 D CA -1.741 52.232 54.000 -0.044 0.000 0.840 21 D CB 1.463 42.261 40.800 -0.003 0.000 1.078 21 D HN 0.127 nan 8.370 nan 0.000 0.486 22 P HA -0.108 nan 4.420 nan 0.000 0.224 22 P C 0.386 177.663 177.300 -0.038 0.000 1.142 22 P CA 0.993 64.044 63.100 -0.082 0.000 0.778 22 P CB 0.323 32.108 31.700 0.142 0.000 0.764 23 E N -1.461 118.742 120.200 0.005 0.000 2.489 23 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 23 E C 0.184 176.782 176.600 -0.002 0.000 1.057 23 E CA 0.221 56.637 56.400 0.027 0.000 0.866 23 E CB -0.097 29.640 29.700 0.062 0.000 0.916 23 E HN 0.312 nan 8.360 nan 0.000 0.500 24 T N -0.110 114.419 114.554 -0.042 0.000 2.733 24 T HA 0.202 4.552 4.350 -0.000 0.000 0.294 24 T C 0.250 174.923 174.700 -0.046 0.000 0.956 24 T CA -0.848 61.242 62.100 -0.017 0.000 0.987 24 T CB 1.405 70.286 68.868 0.022 0.000 0.920 24 T HN -0.092 nan 8.240 nan 0.000 0.470 25 T N 2.917 117.468 114.554 -0.005 0.000 2.898 25 T HA 0.180 4.530 4.350 -0.000 0.000 0.301 25 T C 1.280 175.983 174.700 0.005 0.000 1.049 25 T CA -0.816 61.281 62.100 -0.005 0.000 1.095 25 T CB 0.568 69.460 68.868 0.040 0.000 0.976 25 T HN 0.548 nan 8.240 nan 0.000 0.539 26 L N 4.062 125.273 121.223 -0.020 0.000 1.970 26 L HA 0.165 4.505 4.340 -0.000 0.000 0.212 26 L C 1.043 177.963 176.870 0.084 0.000 1.071 26 L CA 1.599 56.434 54.840 -0.008 0.000 0.751 26 L CB -1.065 40.970 42.059 -0.040 0.000 0.889 26 L HN 0.777 nan 8.230 nan 0.000 0.432 27 L N 0.309 121.571 121.223 0.065 0.000 2.540 27 L HA 0.389 4.729 4.340 -0.000 0.000 0.276 27 L C 0.682 177.599 176.870 0.079 0.000 1.212 27 L CA 0.731 55.614 54.840 0.071 0.000 0.893 27 L CB -0.056 42.041 42.059 0.062 0.000 1.138 27 L HN 0.620 nan 8.230 nan 0.000 0.491 28 A N 4.075 126.938 122.820 0.071 0.000 1.708 28 A HA -0.298 4.022 4.320 -0.000 0.000 0.204 28 A C 1.329 178.955 177.584 0.070 0.000 0.603 28 A CA 0.772 52.843 52.037 0.057 0.000 1.269 28 A CB -2.094 16.943 19.000 0.061 0.000 1.398 28 A HN 0.889 nan 8.150 nan 0.000 0.707 29 Y N 1.199 121.499 120.300 0.001 0.000 2.165 29 Y HA -0.052 4.498 4.550 -0.000 0.000 0.286 29 Y C 2.269 178.183 175.900 0.024 0.000 1.155 29 Y CA 2.513 60.623 58.100 0.016 0.000 1.164 29 Y CB -0.147 38.337 38.460 0.040 0.000 0.978 29 Y HN 0.486 nan 8.280 nan 0.000 0.513 30 L N -0.599 120.716 121.223 0.154 0.000 2.044 30 L HA -0.194 4.146 4.340 -0.000 0.000 0.205 30 L C 2.733 179.599 176.870 -0.007 0.000 1.075 30 L CA 1.475 56.370 54.840 0.092 0.000 0.747 30 L CB -0.374 41.744 42.059 0.099 0.000 0.903 30 L HN 0.168 nan 8.230 nan 0.000 0.435 31 R N 0.514 121.011 120.500 -0.004 0.000 2.090 31 R HA -0.045 4.295 4.340 -0.000 0.000 0.219 31 R C 1.765 178.037 176.300 -0.047 0.000 1.100 31 R CA 0.917 57.008 56.100 -0.014 0.000 0.991 31 R CB 0.237 30.543 30.300 0.010 0.000 0.893 31 R HN 0.363 nan 8.270 nan 0.000 0.443 32 R N -0.575 119.884 120.500 -0.067 0.000 2.596 32 R HA 0.164 4.504 4.340 -0.000 0.000 0.369 32 R C 0.729 176.933 176.300 -0.160 0.000 1.042 32 R CA -0.099 55.947 56.100 -0.090 0.000 1.120 32 R CB 0.494 30.761 30.300 -0.054 0.000 1.353 32 R HN -0.163 nan 8.270 nan 0.000 0.564 33 K N 0.453 120.693 120.400 -0.266 0.000 2.504 33 K HA 0.282 4.602 4.320 -0.000 0.000 0.203 33 K C 0.747 177.131 176.600 -0.360 0.000 1.350 33 K CA 0.456 56.507 56.287 -0.394 0.000 0.953 33 K CB 0.540 32.573 32.500 -0.778 0.000 1.243 33 K HN 0.248 nan 8.250 nan 0.000 0.534 34 L N 0.523 121.563 121.223 -0.305 0.000 2.872 34 L HA 0.470 4.810 4.340 -0.000 0.000 0.245 34 L C 0.634 177.431 176.870 -0.122 0.000 1.211 34 L CA -0.172 54.554 54.840 -0.190 0.000 1.013 34 L CB 0.369 42.350 42.059 -0.130 0.000 1.326 34 L HN 0.229 nan 8.230 nan 0.000 0.525 35 G N 2.005 110.733 108.800 -0.121 0.000 2.359 35 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.278 35 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.278 35 G C 0.031 174.895 174.900 -0.061 0.000 0.872 35 G CA 0.374 45.424 45.100 -0.084 0.000 1.185 35 G HN 0.423 nan 8.290 nan 0.000 0.474 36 L N 1.416 122.611 121.223 -0.047 0.000 2.301 36 L HA 0.424 4.764 4.340 -0.000 0.000 0.278 36 L C 1.143 177.998 176.870 -0.025 0.000 1.022 36 L CA -0.548 54.272 54.840 -0.033 0.000 0.854 36 L CB 1.040 43.085 42.059 -0.022 0.000 1.226 36 L HN 0.373 nan 8.230 nan 0.000 0.429 37 S N 1.562 117.248 115.700 -0.024 0.000 2.602 37 S HA 0.477 4.947 4.470 -0.000 0.000 0.257 37 S C 1.337 175.925 174.600 -0.019 0.000 1.250 37 S CA 0.216 58.409 58.200 -0.013 0.000 0.986 37 S CB 0.727 63.930 63.200 0.004 0.000 1.040 37 S HN 1.027 nan 8.310 nan 0.000 0.562 38 G N -0.721 108.066 108.800 -0.022 0.000 2.189 38 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.267 38 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.267 38 G C 0.162 175.012 174.900 -0.084 0.000 0.975 38 G CA 0.508 45.578 45.100 -0.051 0.000 0.644 38 G HN 1.069 nan 8.290 nan 0.000 0.537 39 T N 2.745 117.260 114.554 -0.064 0.000 2.853 39 T HA 0.496 4.846 4.350 -0.000 0.000 0.317 39 T C 0.364 175.019 174.700 -0.074 0.000 1.059 39 T CA -0.506 61.558 62.100 -0.060 0.000 0.954 39 T CB 1.206 70.061 68.868 -0.021 0.000 0.994 39 T HN 0.234 nan 8.240 nan 0.000 0.479 40 K N 2.241 122.552 120.400 -0.149 0.000 2.090 40 K HA 0.496 4.816 4.320 -0.000 0.000 0.250 40 K C -0.123 176.477 176.600 0.000 0.000 1.004 40 K CA -0.871 55.303 56.287 -0.188 0.000 0.919 40 K CB 1.537 33.591 32.500 -0.743 0.000 1.045 40 K HN 0.484 nan 8.250 nan 0.000 0.471 41 L N -0.989 120.304 121.223 0.118 0.000 2.296 41 L HA 0.514 4.854 4.340 -0.000 0.000 0.286 41 L C 0.476 177.496 176.870 0.251 0.000 1.023 41 L CA 0.252 55.194 54.840 0.170 0.000 0.812 41 L CB 1.561 43.698 42.059 0.131 0.000 1.223 41 L HN 0.737 nan 8.230 nan 0.000 0.421 42 G N 2.052 110.991 108.800 0.232 0.000 2.709 42 G HA2 0.052 4.012 3.960 -0.000 0.000 0.197 42 G HA3 0.052 4.012 3.960 -0.000 0.000 0.197 42 G C 0.800 175.827 174.900 0.212 0.000 1.111 42 G CA 0.801 46.049 45.100 0.246 0.000 0.716 42 G HN 0.834 nan 8.290 nan 0.000 0.754 43 C N -2.505 116.929 119.300 0.224 0.000 2.544 43 C HA 0.623 5.083 4.460 -0.000 0.000 0.475 43 C C 2.235 177.371 174.990 0.244 0.000 1.360 43 C CA 0.797 59.956 59.018 0.234 0.000 2.555 43 C CB 0.534 28.434 27.740 0.267 0.000 3.012 43 C HN 1.357 nan 8.230 nan 0.000 0.552 44 G N 1.399 110.331 108.800 0.221 0.000 2.199 44 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.254 44 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.254 44 G C 0.529 175.574 174.900 0.242 0.000 0.982 44 G CA 0.812 46.058 45.100 0.243 0.000 0.632 44 G HN 0.762 nan 8.290 nan 0.000 0.529 45 E N 0.163 120.470 120.200 0.179 0.000 2.481 45 E HA 0.412 4.762 4.350 -0.000 0.000 0.198 45 E C 1.919 178.531 176.600 0.019 0.000 1.027 45 E CA 0.728 57.140 56.400 0.020 0.000 0.900 45 E CB -0.470 29.278 29.700 0.080 0.000 0.993 45 E HN 1.441 nan 8.360 nan 0.000 0.482 46 G N 0.204 109.051 108.800 0.079 0.000 2.189 46 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.267 46 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.267 46 G C 0.665 175.627 174.900 0.103 0.000 0.975 46 G CA 0.224 45.375 45.100 0.085 0.000 0.644 46 G HN 0.501 nan 8.290 nan 0.000 0.537 47 G N -1.085 107.789 108.800 0.124 0.000 3.735 47 G HA2 0.382 4.342 3.960 -0.000 0.000 0.283 47 G HA3 0.382 4.342 3.960 -0.000 0.000 0.283 47 G C 1.129 176.124 174.900 0.158 0.000 1.007 47 G CA 1.213 46.389 45.100 0.127 0.000 0.821 47 G HN 1.455 nan 8.290 nan 0.000 0.505 48 C N -2.310 117.102 119.300 0.188 0.000 3.392 48 C HA 0.537 4.997 4.460 -0.000 0.000 0.301 48 C C 2.154 177.267 174.990 0.206 0.000 1.354 48 C CA 0.541 59.690 59.018 0.219 0.000 1.732 48 C CB -0.308 27.608 27.740 0.292 0.000 2.269 48 C HN 1.018 nan 8.230 nan 0.000 0.673 49 G N 1.419 110.325 108.800 0.176 0.000 2.225 49 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.272 49 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.272 49 G C 1.041 176.026 174.900 0.141 0.000 0.996 49 G CA 0.618 45.814 45.100 0.160 0.000 0.710 49 G HN 1.666 nan 8.290 nan 0.000 0.522 50 A N -0.666 122.238 122.820 0.140 0.000 2.261 50 A HA 0.387 4.707 4.320 -0.000 0.000 0.208 50 A C 1.919 179.523 177.584 0.033 0.000 1.223 50 A CA 1.681 53.766 52.037 0.079 0.000 0.833 50 A CB -0.750 18.315 19.000 0.108 0.000 0.830 50 A HN 1.738 nan 8.150 nan 0.000 0.483 51 C N -3.292 116.046 119.300 0.063 0.000 3.226 51 C HA 0.428 4.888 4.460 -0.000 0.000 0.258 51 C C 0.432 175.455 174.990 0.055 0.000 1.688 51 C CA -0.447 58.603 59.018 0.053 0.000 1.774 51 C CB -1.410 26.380 27.740 0.082 0.000 3.167 51 C HN 0.203 nan 8.230 nan 0.000 0.509 52 T N 2.558 117.146 114.554 0.055 0.000 2.845 52 T HA 0.616 4.966 4.350 -0.000 0.000 0.288 52 T C 0.271 174.996 174.700 0.042 0.000 0.980 52 T CA 0.210 62.350 62.100 0.066 0.000 1.071 52 T CB 1.383 70.303 68.868 0.088 0.000 0.941 52 T HN 0.866 nan 8.240 nan 0.000 0.487 53 V N 1.103 121.041 119.914 0.040 0.000 3.156 53 V HA 0.717 4.837 4.120 -0.000 0.000 0.310 53 V C -0.879 175.220 176.094 0.008 0.000 1.234 53 V CA -1.330 60.980 62.300 0.016 0.000 1.065 53 V CB 2.367 34.199 31.823 0.014 0.000 1.088 53 V HN 0.812 nan 8.190 nan 0.000 0.451 54 M N 2.318 121.909 119.600 -0.016 0.000 2.134 54 M HA 0.553 5.033 4.480 -0.000 0.000 0.310 54 M C -1.733 174.502 176.300 -0.108 0.000 0.966 54 M CA -0.636 54.636 55.300 -0.047 0.000 0.922 54 M CB 1.259 33.868 32.600 0.015 0.000 1.537 54 M HN 0.741 nan 8.290 nan 0.000 0.424 55 L N 4.310 125.352 121.223 -0.302 0.000 2.319 55 L HA 0.387 4.727 4.340 -0.000 0.000 0.280 55 L C -0.081 176.560 176.870 -0.381 0.000 1.099 55 L CA -0.319 54.285 54.840 -0.393 0.000 0.828 55 L CB 1.083 42.731 42.059 -0.686 0.000 1.150 55 L HN 0.699 nan 8.230 nan 0.000 0.442 56 S N 3.254 118.946 115.700 -0.014 0.000 2.537 56 S HA 0.752 5.222 4.470 -0.000 0.000 0.301 56 S C -0.628 174.093 174.600 0.201 0.000 1.092 56 S CA -1.025 57.264 58.200 0.148 0.000 1.048 56 S CB 2.228 65.731 63.200 0.506 0.000 1.053 56 S HN 0.662 nan 8.310 nan 0.000 0.501 57 K N 0.235 120.726 120.400 0.153 0.000 2.533 57 K HA 0.497 4.817 4.320 -0.000 0.000 0.272 57 K C -1.850 174.801 176.600 0.086 0.000 0.985 57 K CA -1.021 55.416 56.287 0.251 0.000 0.876 57 K CB 0.979 33.628 32.500 0.249 0.000 1.452 57 K HN 0.492 nan 8.250 nan 0.000 0.439 58 Y N 2.344 122.648 120.300 0.007 0.000 2.336 58 Y HA 0.064 4.614 4.550 -0.000 0.000 0.335 58 Y C 0.869 176.710 175.900 -0.099 0.000 1.046 58 Y CA -0.382 57.619 58.100 -0.165 0.000 1.198 58 Y CB 1.108 39.510 38.460 -0.097 0.000 1.182 58 Y HN 0.895 nan 8.280 nan 0.000 0.502 59 D N 3.937 123.902 120.400 -0.725 0.000 2.085 59 D HA -0.154 4.486 4.640 -0.000 0.000 0.199 59 D C 1.450 177.345 176.300 -0.674 0.000 0.981 59 D CA 1.936 55.602 54.000 -0.556 0.000 0.834 59 D CB 0.161 40.749 40.800 -0.354 0.000 0.992 59 D HN 0.903 nan 8.370 nan 0.000 0.457 60 R N -1.711 118.208 120.500 -0.968 0.000 3.011 60 R HA -0.175 4.165 4.340 -0.000 0.000 0.314 60 R C 1.811 177.956 176.300 -0.257 0.000 0.573 60 R CA 1.006 56.784 56.100 -0.536 0.000 1.550 60 R CB -1.573 28.525 30.300 -0.336 0.000 1.554 60 R HN 0.322 nan 8.270 nan 0.000 0.423 61 L N 1.378 122.467 121.223 -0.224 0.000 2.127 61 L HA -0.023 4.317 4.340 -0.000 0.000 0.203 61 L C 0.777 177.577 176.870 -0.118 0.000 1.080 61 L CA 2.129 56.887 54.840 -0.137 0.000 0.768 61 L CB -0.176 41.817 42.059 -0.110 0.000 0.924 61 L HN 0.433 nan 8.230 nan 0.000 0.444 62 Q N -0.380 119.334 119.800 -0.144 0.000 2.165 62 Q HA 0.121 4.461 4.340 -0.000 0.000 0.245 62 Q C 0.122 176.048 176.000 -0.123 0.000 0.841 62 Q CA -0.220 55.519 55.803 -0.107 0.000 1.078 62 Q CB -0.165 28.519 28.738 -0.089 0.000 1.169 62 Q HN 0.353 nan 8.270 nan 0.000 0.475 63 N N 2.730 121.332 118.700 -0.165 0.000 2.837 63 N HA -0.238 4.502 4.740 -0.000 0.000 0.293 63 N C -1.045 174.453 175.510 -0.021 0.000 1.035 63 N CA 0.772 53.759 53.050 -0.105 0.000 0.831 63 N CB 0.010 38.518 38.487 0.036 0.000 0.957 63 N HN 0.197 nan 8.380 nan 0.000 0.594 64 K N 2.599 122.933 120.400 -0.109 0.000 2.556 64 K HA 0.407 4.727 4.320 -0.000 0.000 0.274 64 K C -0.973 175.545 176.600 -0.138 0.000 0.966 64 K CA -0.651 55.585 56.287 -0.085 0.000 0.865 64 K CB 1.485 33.921 32.500 -0.108 0.000 1.444 64 K HN 0.277 nan 8.250 nan 0.000 0.433 65 I N 3.460 123.914 120.570 -0.193 0.000 2.321 65 I HA 0.193 4.363 4.170 -0.000 0.000 0.291 65 I C 0.445 176.327 176.117 -0.392 0.000 0.998 65 I CA -0.925 60.155 61.300 -0.368 0.000 1.227 65 I CB 1.472 39.155 38.000 -0.529 0.000 1.368 65 I HN 0.279 nan 8.210 nan 0.000 0.466 66 V N 4.065 123.787 119.914 -0.321 0.000 2.837 66 V HA 0.546 4.665 4.120 -0.000 0.000 0.310 66 V C -0.441 175.453 176.094 -0.333 0.000 1.059 66 V CA -0.470 61.674 62.300 -0.260 0.000 1.004 66 V CB 1.580 33.395 31.823 -0.013 0.000 1.045 66 V HN 0.545 nan 8.190 nan 0.000 0.465 67 H N 3.748 122.889 119.070 0.117 0.000 2.529 67 H HA 0.728 5.284 4.556 -0.000 0.000 0.348 67 H C -0.906 174.524 175.328 0.170 0.000 1.079 67 H CA -0.327 55.756 56.048 0.060 0.000 1.198 67 H CB 1.685 31.453 29.762 0.010 0.000 1.521 67 H HN 0.868 nan 8.280 nan 0.000 0.514 68 F N -0.707 119.330 119.950 0.146 0.000 2.654 68 F HA 0.518 5.045 4.527 -0.000 0.000 0.308 68 F C -0.548 175.294 175.800 0.071 0.000 1.108 68 F CA -1.187 56.858 58.000 0.074 0.000 0.957 68 F CB 0.931 39.955 39.000 0.040 0.000 1.309 68 F HN 0.318 nan 8.300 nan 0.000 0.446 69 S N 1.254 117.098 115.700 0.240 0.000 2.610 69 S HA 0.943 5.413 4.470 -0.000 0.000 0.273 69 S C -0.404 174.337 174.600 0.235 0.000 1.274 69 S CA -0.043 58.244 58.200 0.145 0.000 1.023 69 S CB 1.476 64.742 63.200 0.110 0.000 0.962 69 S HN 1.640 nan 8.310 nan 0.000 0.523 70 A N 1.597 124.511 122.820 0.158 0.000 2.612 70 A HA 0.646 4.966 4.320 -0.000 0.000 0.293 70 A C -1.049 176.605 177.584 0.117 0.000 1.075 70 A CA -1.280 50.861 52.037 0.174 0.000 0.680 70 A CB 0.940 20.073 19.000 0.220 0.000 1.279 70 A HN 0.972 nan 8.150 nan 0.000 0.411 71 N N 0.610 119.377 118.700 0.112 0.000 2.430 71 N HA 0.536 5.276 4.740 -0.000 0.000 0.292 71 N C 0.264 175.823 175.510 0.083 0.000 1.051 71 N CA -0.176 52.931 53.050 0.095 0.000 0.917 71 N CB 2.227 40.774 38.487 0.101 0.000 1.164 71 N HN 0.646 nan 8.380 nan 0.000 0.484 72 A N 0.679 123.542 122.820 0.072 0.000 2.348 72 A HA 0.047 4.367 4.320 -0.000 0.000 0.224 72 A C 1.800 179.420 177.584 0.061 0.000 1.227 72 A CA -0.251 51.821 52.037 0.058 0.000 0.885 72 A CB -0.535 18.495 19.000 0.049 0.000 0.933 72 A HN 0.919 nan 8.150 nan 0.000 0.506 73 C N -2.213 117.133 119.300 0.077 0.000 2.522 73 C HA 0.422 4.882 4.460 -0.000 0.000 0.271 73 C C 1.454 176.500 174.990 0.093 0.000 1.425 73 C CA 0.330 59.402 59.018 0.090 0.000 1.751 73 C CB -1.284 26.523 27.740 0.111 0.000 1.775 73 C HN 0.452 nan 8.230 nan 0.000 0.557 74 L N -0.097 121.174 121.223 0.081 0.000 3.217 74 L HA 0.406 4.746 4.340 -0.000 0.000 0.288 74 L C 0.871 177.780 176.870 0.065 0.000 1.202 74 L CA 0.352 55.240 54.840 0.080 0.000 1.027 74 L CB 0.365 42.472 42.059 0.081 0.000 1.427 74 L HN 0.326 nan 8.230 nan 0.000 0.600 75 A N 2.322 125.170 122.820 0.046 0.000 2.291 75 A HA 0.641 4.961 4.320 -0.000 0.000 0.311 75 A C -2.559 175.004 177.584 -0.035 0.000 1.224 75 A CA -1.313 50.741 52.037 0.027 0.000 0.821 75 A CB 0.473 19.499 19.000 0.043 0.000 1.172 75 A HN -0.120 nan 8.150 nan 0.000 0.494 76 P HA 0.111 nan 4.420 nan 0.000 0.276 76 P C 1.183 178.298 177.300 -0.308 0.000 1.235 76 P CA -0.282 62.711 63.100 -0.178 0.000 0.772 76 P CB 0.944 32.520 31.700 -0.206 0.000 0.871 77 I N 1.696 122.042 120.570 -0.374 0.000 2.315 77 I HA -0.262 3.908 4.170 -0.000 0.000 0.251 77 I C 1.420 177.177 176.117 -0.599 0.000 1.125 77 I CA 1.612 62.593 61.300 -0.531 0.000 1.392 77 I CB -0.877 36.743 38.000 -0.634 0.000 1.065 77 I HN 0.147 nan 8.210 nan 0.000 0.424 78 C N 1.953 120.802 119.300 -0.752 0.000 2.411 78 C HA -0.131 4.329 4.460 -0.000 0.000 0.279 78 C C 3.350 178.061 174.990 -0.464 0.000 1.288 78 C CA 1.319 59.813 59.018 -0.873 0.000 1.764 78 C CB -1.631 25.145 27.740 -1.608 0.000 1.974 78 C HN 0.800 nan 8.230 nan 0.000 0.498 79 S N 1.615 117.106 115.700 -0.348 0.000 2.382 79 S HA -0.090 4.380 4.470 -0.000 0.000 0.228 79 S C 1.531 176.194 174.600 0.105 0.000 1.027 79 S CA 1.212 59.454 58.200 0.071 0.000 0.991 79 S CB -0.845 62.435 63.200 0.133 0.000 0.823 79 S HN 0.664 nan 8.310 nan 0.000 0.469 80 L N 1.333 122.528 121.223 -0.046 0.000 2.651 80 L HA -0.003 4.337 4.340 -0.000 0.000 0.236 80 L C 1.170 178.155 176.870 0.192 0.000 1.173 80 L CA 0.339 55.162 54.840 -0.029 0.000 0.843 80 L CB -1.198 40.631 42.059 -0.383 0.000 0.964 80 L HN 0.410 nan 8.230 nan 0.000 0.454 81 H N 0.299 119.493 119.070 0.207 0.000 3.125 81 H HA -0.087 4.469 4.556 -0.000 0.000 0.310 81 H C 0.618 176.244 175.328 0.497 0.000 0.980 81 H CA 0.477 56.735 56.048 0.351 0.000 1.422 81 H CB 0.074 30.088 29.762 0.419 0.000 1.432 81 H HN 0.156 nan 8.280 nan 0.000 0.577 82 H N 0.315 119.586 119.070 0.335 0.000 3.237 82 H HA -0.171 4.385 4.556 -0.000 0.000 0.231 82 H C -0.356 175.129 175.328 0.262 0.000 1.148 82 H CA 0.840 56.986 56.048 0.163 0.000 1.155 82 H CB -1.850 27.831 29.762 -0.135 0.000 1.210 82 H HN 0.274 nan 8.280 nan 0.000 0.317 83 V N -0.489 119.665 119.914 0.400 0.000 2.837 83 V HA 0.794 4.914 4.120 -0.000 0.000 0.310 83 V C 0.832 177.120 176.094 0.324 0.000 1.059 83 V CA -0.283 62.208 62.300 0.317 0.000 1.004 83 V CB 1.989 33.961 31.823 0.249 0.000 1.045 83 V HN 0.454 nan 8.190 nan 0.000 0.465 84 A N 2.519 125.481 122.820 0.237 0.000 2.318 84 A HA 0.772 5.092 4.320 -0.000 0.000 0.317 84 A C -0.769 176.906 177.584 0.152 0.000 1.159 84 A CA -0.506 51.650 52.037 0.198 0.000 0.799 84 A CB 1.155 20.150 19.000 -0.008 0.000 1.194 84 A HN 0.696 nan 8.150 nan 0.000 0.479 85 V N 2.392 122.415 119.914 0.181 0.000 2.394 85 V HA 0.535 4.655 4.120 -0.000 0.000 0.282 85 V C 0.244 176.383 176.094 0.076 0.000 1.031 85 V CA -0.374 61.995 62.300 0.115 0.000 0.881 85 V CB 1.117 33.030 31.823 0.151 0.000 0.982 85 V HN 0.871 nan 8.190 nan 0.000 0.451 86 T N 3.099 117.668 114.554 0.025 0.000 2.859 86 T HA 0.531 4.881 4.350 -0.000 0.000 0.281 86 T C 0.047 174.718 174.700 -0.049 0.000 1.005 86 T CA -0.297 61.789 62.100 -0.023 0.000 1.025 86 T CB 1.912 70.744 68.868 -0.059 0.000 0.977 86 T HN 0.757 nan 8.240 nan 0.000 0.458 87 T N 0.569 115.080 114.554 -0.073 0.000 2.919 87 T HA 0.384 4.734 4.350 -0.000 0.000 0.282 87 T C 1.418 176.046 174.700 -0.121 0.000 1.020 87 T CA -0.504 61.556 62.100 -0.067 0.000 0.994 87 T CB 1.555 70.403 68.868 -0.034 0.000 1.180 87 T HN 0.344 nan 8.240 nan 0.000 0.566 88 V N 1.376 121.232 119.914 -0.097 0.000 2.343 88 V HA -0.054 4.066 4.120 -0.000 0.000 0.247 88 V C 2.040 178.062 176.094 -0.120 0.000 1.051 88 V CA 2.402 64.631 62.300 -0.119 0.000 1.036 88 V CB -0.548 31.228 31.823 -0.079 0.000 0.654 88 V HN 0.926 nan 8.190 nan 0.000 0.451 89 E N -0.117 120.033 120.200 -0.083 0.000 2.416 89 E HA 0.071 4.421 4.350 -0.000 0.000 0.189 89 E C 1.624 178.179 176.600 -0.075 0.000 1.091 89 E CA 0.736 57.096 56.400 -0.068 0.000 0.889 89 E CB -0.050 29.622 29.700 -0.046 0.000 1.015 89 E HN 0.616 nan 8.360 nan 0.000 0.479 90 G N 1.852 110.586 108.800 -0.111 0.000 2.744 90 G HA2 0.013 3.973 3.960 -0.000 0.000 0.211 90 G HA3 0.013 3.973 3.960 -0.000 0.000 0.211 90 G C 1.561 176.375 174.900 -0.142 0.000 1.146 90 G CA 0.248 45.280 45.100 -0.112 0.000 0.787 90 G HN 0.427 nan 8.290 nan 0.000 0.534 91 I N -2.942 117.507 120.570 -0.201 0.000 3.854 91 I HA 0.539 4.709 4.170 -0.000 0.000 0.312 91 I C 0.655 176.755 176.117 -0.028 0.000 1.273 91 I CA 0.396 61.571 61.300 -0.207 0.000 1.298 91 I CB 0.726 38.372 38.000 -0.590 0.000 1.071 91 I HN 0.067 nan 8.210 nan 0.000 0.428 92 G N 1.060 109.841 108.800 -0.033 0.000 2.386 92 G HA2 0.384 4.344 3.960 -0.000 0.000 0.302 92 G HA3 0.384 4.344 3.960 -0.000 0.000 0.302 92 G C -1.340 173.558 174.900 -0.003 0.000 1.629 92 G CA 0.084 45.193 45.100 0.015 0.000 0.917 92 G HN 0.462 nan 8.290 nan 0.000 0.676 93 S N -1.285 114.417 115.700 0.003 0.000 2.607 93 S HA 0.722 5.192 4.470 -0.000 0.000 0.273 93 S C 1.270 175.871 174.600 0.002 0.000 1.148 93 S CA 0.806 59.004 58.200 -0.004 0.000 0.833 93 S CB 1.404 64.596 63.200 -0.013 0.000 1.130 93 S HN 2.023 nan 8.310 nan 0.000 0.470 94 T N -0.477 114.077 114.554 -0.000 0.000 3.007 94 T HA 0.064 4.414 4.350 -0.000 0.000 0.270 94 T C 1.115 175.814 174.700 -0.001 0.000 1.107 94 T CA 0.988 63.089 62.100 0.002 0.000 1.118 94 T CB -0.508 68.362 68.868 0.004 0.000 0.889 94 T HN 0.625 nan 8.240 nan 0.000 0.506 95 K N 1.048 121.444 120.400 -0.006 0.000 2.426 95 K HA 0.140 4.460 4.320 -0.000 0.000 0.193 95 K C 1.896 178.492 176.600 -0.007 0.000 1.028 95 K CA 0.935 57.217 56.287 -0.009 0.000 1.047 95 K CB 0.323 32.814 32.500 -0.014 0.000 0.821 95 K HN 0.723 nan 8.250 nan 0.000 0.513 96 T N -2.956 111.596 114.554 -0.003 0.000 3.349 96 T HA 0.328 4.678 4.350 -0.000 0.000 0.169 96 T C 0.028 174.731 174.700 0.004 0.000 0.938 96 T CA -0.712 61.388 62.100 -0.000 0.000 1.017 96 T CB 0.487 69.354 68.868 -0.001 0.000 1.476 96 T HN -0.245 nan 8.240 nan 0.000 0.327 97 R N 0.725 121.230 120.500 0.009 0.000 2.621 97 R HA 0.575 4.915 4.340 -0.000 0.000 0.284 97 R C -1.114 175.199 176.300 0.022 0.000 0.998 97 R CA -0.640 55.467 56.100 0.011 0.000 0.895 97 R CB 2.338 32.642 30.300 0.007 0.000 1.195 97 R HN 0.419 nan 8.270 nan 0.000 0.450 98 L N 3.065 124.303 121.223 0.025 0.000 2.426 98 L HA 0.126 4.466 4.340 -0.000 0.000 0.271 98 L C 1.042 177.959 176.870 0.078 0.000 1.169 98 L CA -0.150 54.718 54.840 0.047 0.000 0.836 98 L CB 0.167 42.248 42.059 0.036 0.000 1.112 98 L HN 0.404 nan 8.230 nan 0.000 0.465 99 H N 5.899 124.977 119.070 0.012 0.000 2.707 99 H HA 0.079 4.635 4.556 -0.000 0.000 0.359 99 H C -1.828 173.532 175.328 0.053 0.000 1.113 99 H CA -1.708 54.364 56.048 0.040 0.000 1.422 99 H CB 1.601 31.393 29.762 0.049 0.000 1.443 99 H HN 0.354 nan 8.280 nan 0.000 0.591 100 P HA -0.172 nan 4.420 nan 0.000 0.218 100 P C 1.593 179.137 177.300 0.407 0.000 1.146 100 P CA 0.831 64.017 63.100 0.143 0.000 0.813 100 P CB 0.209 31.955 31.700 0.076 0.000 0.778 101 V N -0.308 120.059 119.914 0.755 0.000 2.759 101 V HA -0.184 3.936 4.120 -0.000 0.000 0.256 101 V C 2.700 178.937 176.094 0.237 0.000 1.080 101 V CA 1.594 64.096 62.300 0.337 0.000 1.101 101 V CB -1.271 30.539 31.823 -0.021 0.000 0.698 101 V HN 0.137 nan 8.190 nan 0.000 0.477 102 Q N 0.151 120.083 119.800 0.219 0.000 2.137 102 Q HA -0.188 4.152 4.340 -0.000 0.000 0.198 102 Q C 2.297 178.344 176.000 0.077 0.000 0.960 102 Q CA 1.638 57.513 55.803 0.120 0.000 0.847 102 Q CB 0.044 28.835 28.738 0.088 0.000 0.915 102 Q HN 0.899 nan 8.270 nan 0.000 0.448 103 E N -0.383 119.847 120.200 0.050 0.000 2.318 103 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 103 E C 1.788 178.277 176.600 -0.185 0.000 0.998 103 E CA 0.274 56.641 56.400 -0.056 0.000 0.859 103 E CB 0.090 29.750 29.700 -0.066 0.000 0.812 103 E HN 0.087 nan 8.360 nan 0.000 0.492 104 R N 0.399 120.788 120.500 -0.185 0.000 2.075 104 R HA 0.119 4.459 4.340 -0.000 0.000 0.226 104 R C 2.429 178.600 176.300 -0.215 0.000 1.114 104 R CA 1.192 57.020 56.100 -0.452 0.000 0.972 104 R CB -0.269 29.796 30.300 -0.392 0.000 0.869 104 R HN 0.279 nan 8.270 nan 0.000 0.437 105 I N 0.620 121.216 120.570 0.043 0.000 2.361 105 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 105 I C 1.907 177.952 176.117 -0.120 0.000 1.133 105 I CA 1.246 62.534 61.300 -0.020 0.000 1.413 105 I CB -0.156 37.953 38.000 0.181 0.000 1.073 105 I HN 0.184 nan 8.210 nan 0.000 0.424 106 A N 0.386 123.147 122.820 -0.098 0.000 1.897 106 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 106 A C 2.212 179.679 177.584 -0.194 0.000 1.181 106 A CA 1.167 53.136 52.037 -0.115 0.000 0.620 106 A CB -0.314 18.650 19.000 -0.061 0.000 0.821 106 A HN 0.333 nan 8.150 nan 0.000 0.443 107 K N 0.368 120.633 120.400 -0.225 0.000 2.459 107 K HA 0.007 4.327 4.320 -0.000 0.000 0.193 107 K C 1.217 177.545 176.600 -0.455 0.000 1.030 107 K CA 0.864 57.019 56.287 -0.221 0.000 1.026 107 K CB 0.110 32.599 32.500 -0.018 0.000 0.809 107 K HN 0.585 nan 8.250 nan 0.000 0.504 108 S N -0.364 114.975 115.700 -0.602 0.000 2.575 108 S HA 0.049 4.519 4.470 -0.000 0.000 0.237 108 S C -0.412 173.819 174.600 -0.615 0.000 0.975 108 S CA -0.598 56.959 58.200 -1.072 0.000 0.960 108 S CB -0.174 62.351 63.200 -1.125 0.000 0.822 108 S HN 0.270 nan 8.310 nan 0.000 0.472 109 H N 0.080 119.001 119.070 -0.249 0.000 2.750 109 H HA -0.138 4.418 4.556 -0.000 0.000 0.327 109 H C 0.924 176.160 175.328 -0.153 0.000 1.199 109 H CA 0.752 56.714 56.048 -0.143 0.000 1.149 109 H CB -1.772 27.929 29.762 -0.101 0.000 1.543 109 H HN 0.652 nan 8.280 nan 0.000 0.427 110 G N -0.641 108.094 108.800 -0.108 0.000 3.192 110 G HA2 0.200 4.160 3.960 -0.000 0.000 0.239 110 G HA3 0.200 4.160 3.960 -0.000 0.000 0.239 110 G C 0.291 175.140 174.900 -0.085 0.000 1.084 110 G CA 0.625 45.653 45.100 -0.121 0.000 0.784 110 G HN 0.334 nan 8.290 nan 0.000 0.540 111 S N -0.262 115.401 115.700 -0.063 0.000 2.756 111 S HA 0.481 4.951 4.470 -0.000 0.000 0.303 111 S C 0.326 174.884 174.600 -0.070 0.000 1.135 111 S CA -0.567 57.598 58.200 -0.058 0.000 1.066 111 S CB 1.707 64.867 63.200 -0.067 0.000 1.008 111 S HN 0.349 nan 8.310 nan 0.000 0.482 112 Q N 1.514 121.287 119.800 -0.046 0.000 2.065 112 Q HA 0.083 4.423 4.340 -0.000 0.000 0.289 112 Q C 2.429 178.390 176.000 -0.066 0.000 0.980 112 Q CA 0.989 56.778 55.803 -0.023 0.000 0.848 112 Q CB -0.516 28.236 28.738 0.023 0.000 1.433 112 Q HN 0.932 nan 8.270 nan 0.000 0.488 113 C N -0.111 119.201 119.300 0.020 0.000 2.396 113 C HA -0.026 4.434 4.460 -0.000 0.000 0.277 113 C C 1.803 176.889 174.990 0.160 0.000 1.231 113 C CA 1.214 60.276 59.018 0.072 0.000 1.775 113 C CB -1.506 26.283 27.740 0.082 0.000 2.036 113 C HN 0.930 nan 8.230 nan 0.000 0.484 114 G N -1.545 107.339 108.800 0.141 0.000 2.201 114 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.212 114 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.212 114 G C 0.521 175.557 174.900 0.228 0.000 0.994 114 G CA 0.500 45.698 45.100 0.163 0.000 0.644 114 G HN 0.590 nan 8.290 nan 0.000 0.508 115 F N 1.761 121.733 119.950 0.037 0.000 2.234 115 F HA 0.060 4.587 4.527 -0.000 0.000 0.296 115 F C 2.838 178.624 175.800 -0.024 0.000 1.089 115 F CA 2.202 60.138 58.000 -0.105 0.000 1.343 115 F CB -0.172 38.692 39.000 -0.226 0.000 1.040 115 F HN 0.546 nan 8.300 nan 0.000 0.498 116 C N -1.234 118.167 119.300 0.167 0.000 2.539 116 C HA 0.082 4.542 4.460 -0.000 0.000 0.271 116 C C 2.343 177.367 174.990 0.055 0.000 1.412 116 C CA 0.588 59.677 59.018 0.118 0.000 1.729 116 C CB -1.988 25.856 27.740 0.173 0.000 1.739 116 C HN 0.381 nan 8.230 nan 0.000 0.570 117 T N 2.890 117.461 114.554 0.028 0.000 2.701 117 T HA -0.041 4.309 4.350 -0.000 0.000 0.263 117 T C -0.248 174.469 174.700 0.029 0.000 1.040 117 T CA 2.329 64.451 62.100 0.035 0.000 1.147 117 T CB -1.150 67.739 68.868 0.034 0.000 0.865 117 T HN 0.403 nan 8.240 nan 0.000 0.426 118 P HA -0.071 nan 4.420 nan 0.000 0.216 118 P C 1.694 179.002 177.300 0.014 0.000 1.153 118 P CA 1.239 64.329 63.100 -0.017 0.000 0.858 118 P CB -0.509 31.155 31.700 -0.060 0.000 0.789 119 G N 0.300 109.112 108.800 0.020 0.000 2.599 119 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 119 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 119 G C 1.489 176.464 174.900 0.126 0.000 1.193 119 G CA 1.116 46.258 45.100 0.071 0.000 0.778 119 G HN 0.246 nan 8.290 nan 0.000 0.589 120 I N 0.506 121.154 120.570 0.131 0.000 2.315 120 I HA -0.137 4.033 4.170 -0.000 0.000 0.248 120 I C 2.812 179.057 176.117 0.212 0.000 1.117 120 I CA 0.384 61.773 61.300 0.149 0.000 1.404 120 I CB -0.481 37.548 38.000 0.048 0.000 1.071 120 I HN 0.049 nan 8.210 nan 0.000 0.419 121 V N 1.010 121.017 119.914 0.156 0.000 2.231 121 V HA -0.337 3.783 4.120 -0.000 0.000 0.250 121 V C 2.607 178.758 176.094 0.095 0.000 1.058 121 V CA 1.894 64.269 62.300 0.125 0.000 1.022 121 V CB -0.632 31.228 31.823 0.063 0.000 0.640 121 V HN 0.386 nan 8.190 nan 0.000 0.445 122 M N -0.416 119.231 119.600 0.078 0.000 2.175 122 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 122 M C 2.450 178.824 176.300 0.124 0.000 1.063 122 M CA 1.471 56.820 55.300 0.080 0.000 1.119 122 M CB -1.645 30.980 32.600 0.042 0.000 1.377 122 M HN 0.371 nan 8.290 nan 0.000 0.415 123 S N 0.882 116.689 115.700 0.179 0.000 2.372 123 S HA -0.206 4.264 4.470 -0.000 0.000 0.227 123 S C 1.897 176.559 174.600 0.104 0.000 1.044 123 S CA 1.871 60.188 58.200 0.195 0.000 1.050 123 S CB -0.263 63.166 63.200 0.383 0.000 0.901 123 S HN 0.406 nan 8.310 nan 0.000 0.447 124 M N 0.298 120.004 119.600 0.176 0.000 2.077 124 M HA -0.047 4.433 4.480 -0.000 0.000 0.261 124 M C 1.736 177.911 176.300 -0.209 0.000 1.070 124 M CA 1.540 56.815 55.300 -0.041 0.000 1.125 124 M CB -1.039 31.478 32.600 -0.139 0.000 1.339 124 M HN 0.408 nan 8.290 nan 0.000 0.409 125 Y N 0.482 120.634 120.300 -0.247 0.000 2.132 125 Y HA -0.332 4.218 4.550 -0.000 0.000 0.280 125 Y C 1.911 177.671 175.900 -0.233 0.000 1.193 125 Y CA 2.749 60.668 58.100 -0.302 0.000 1.157 125 Y CB -0.871 37.408 38.460 -0.303 0.000 0.966 125 Y HN 0.367 nan 8.280 nan 0.000 0.511 126 T N 0.679 115.137 114.554 -0.159 0.000 2.896 126 T HA -0.130 4.220 4.350 -0.000 0.000 0.263 126 T C 1.754 176.328 174.700 -0.210 0.000 1.050 126 T CA 1.019 63.022 62.100 -0.161 0.000 1.140 126 T CB -0.606 68.249 68.868 -0.022 0.000 0.877 126 T HN 0.301 nan 8.240 nan 0.000 0.457 127 L N 1.313 122.413 121.223 -0.205 0.000 2.043 127 L HA 0.013 4.353 4.340 -0.000 0.000 0.212 127 L C 2.050 178.782 176.870 -0.229 0.000 1.075 127 L CA 1.618 56.337 54.840 -0.201 0.000 0.752 127 L CB -0.878 41.042 42.059 -0.233 0.000 0.891 127 L HN 0.232 nan 8.230 nan 0.000 0.432 128 L N -1.037 119.990 121.223 -0.326 0.000 2.275 128 L HA -0.150 4.190 4.340 -0.000 0.000 0.215 128 L C 2.569 179.265 176.870 -0.290 0.000 1.119 128 L CA 0.873 55.512 54.840 -0.334 0.000 0.790 128 L CB -0.319 41.457 42.059 -0.472 0.000 0.919 128 L HN 0.242 nan 8.230 nan 0.000 0.443 129 R N -0.391 119.905 120.500 -0.341 0.000 2.200 129 R HA -0.010 4.330 4.340 -0.000 0.000 0.208 129 R C 1.744 177.953 176.300 -0.151 0.000 1.033 129 R CA 0.816 56.723 56.100 -0.322 0.000 1.000 129 R CB -0.010 29.996 30.300 -0.489 0.000 0.906 129 R HN 0.215 nan 8.270 nan 0.000 0.462 130 N N -1.000 117.631 118.700 -0.115 0.000 2.368 130 N HA 0.054 4.794 4.740 -0.000 0.000 0.178 130 N C -0.728 174.752 175.510 -0.051 0.000 1.076 130 N CA 0.381 53.408 53.050 -0.038 0.000 0.889 130 N CB 0.712 39.184 38.487 -0.025 0.000 1.040 130 N HN -0.033 nan 8.380 nan 0.000 0.463 131 Q N -0.438 119.312 119.800 -0.083 0.000 2.759 131 Q HA 0.311 4.651 4.340 -0.000 0.000 0.225 131 Q C -2.506 173.446 176.000 -0.081 0.000 0.823 131 Q CA -1.319 54.443 55.803 -0.068 0.000 0.828 131 Q CB 1.911 30.607 28.738 -0.070 0.000 1.425 131 Q HN 0.050 nan 8.270 nan 0.000 0.449 132 P HA 0.145 nan 4.420 nan 0.000 0.255 132 P C -0.506 176.768 177.300 -0.042 0.000 1.248 132 P CA 0.344 63.401 63.100 -0.072 0.000 0.807 132 P CB 0.647 32.317 31.700 -0.051 0.000 1.150 133 E N 0.882 121.068 120.200 -0.022 0.000 2.649 133 E HA 0.249 4.599 4.350 -0.000 0.000 0.310 133 E C -2.708 173.897 176.600 0.009 0.000 1.036 133 E CA -1.685 54.725 56.400 0.017 0.000 0.772 133 E CB 1.716 31.433 29.700 0.029 0.000 1.513 133 E HN -0.014 nan 8.360 nan 0.000 0.384 134 P HA 0.219 nan 4.420 nan 0.000 0.281 134 P C -0.354 176.962 177.300 0.028 0.000 1.281 134 P CA -0.386 62.712 63.100 -0.003 0.000 0.811 134 P CB 1.241 32.924 31.700 -0.029 0.000 1.154 135 T N -2.688 111.875 114.554 0.014 0.000 2.907 135 T HA 0.256 4.606 4.350 -0.000 0.000 0.284 135 T C 1.468 176.193 174.700 0.042 0.000 1.004 135 T CA -0.795 61.323 62.100 0.030 0.000 1.063 135 T CB 0.486 69.364 68.868 0.015 0.000 0.992 135 T HN 0.173 nan 8.240 nan 0.000 0.483 136 M N 0.739 120.377 119.600 0.064 0.000 2.279 136 M HA -0.077 4.403 4.480 -0.000 0.000 0.264 136 M C 2.157 178.498 176.300 0.068 0.000 1.062 136 M CA 1.598 56.952 55.300 0.090 0.000 1.099 136 M CB -0.875 31.787 32.600 0.104 0.000 1.394 136 M HN 0.993 nan 8.290 nan 0.000 0.426 137 E N 0.311 120.535 120.200 0.040 0.000 2.204 137 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 137 E C 1.362 177.940 176.600 -0.037 0.000 0.989 137 E CA 1.120 57.527 56.400 0.012 0.000 0.824 137 E CB 0.128 29.834 29.700 0.009 0.000 0.756 137 E HN 0.574 nan 8.360 nan 0.000 0.477 138 E N -0.092 120.078 120.200 -0.049 0.000 2.299 138 E HA -0.044 4.306 4.350 -0.000 0.000 0.193 138 E C 1.871 178.379 176.600 -0.154 0.000 0.998 138 E CA 0.538 56.879 56.400 -0.097 0.000 0.851 138 E CB 0.171 29.822 29.700 -0.082 0.000 0.795 138 E HN 0.377 nan 8.360 nan 0.000 0.492 139 I N 0.681 121.188 120.570 -0.105 0.000 2.876 139 I HA -0.104 4.066 4.170 -0.000 0.000 0.264 139 I C 1.950 177.927 176.117 -0.234 0.000 1.204 139 I CA 0.394 61.599 61.300 -0.158 0.000 1.485 139 I CB 0.190 38.238 38.000 0.080 0.000 1.103 139 I HN -0.049 nan 8.210 nan 0.000 0.446 140 E N 1.176 121.313 120.200 -0.104 0.000 2.455 140 E HA -0.204 4.146 4.350 -0.000 0.000 0.202 140 E C 1.354 177.858 176.600 -0.158 0.000 1.045 140 E CA 0.986 57.360 56.400 -0.043 0.000 0.872 140 E CB -0.085 29.617 29.700 0.003 0.000 0.792 140 E HN 0.414 nan 8.360 nan 0.000 0.542 141 N N -2.484 116.003 118.700 -0.355 0.000 1.862 141 N HA 0.082 4.822 4.740 -0.000 0.000 0.235 141 N C 0.784 176.082 175.510 -0.352 0.000 1.398 141 N CA 0.721 53.606 53.050 -0.275 0.000 0.779 141 N CB 0.048 38.407 38.487 -0.213 0.000 1.086 141 N HN 0.112 nan 8.380 nan 0.000 0.490 142 A N 0.025 122.479 122.820 -0.610 0.000 2.209 142 A HA 0.131 4.451 4.320 -0.000 0.000 0.212 142 A C 0.492 177.750 177.584 -0.543 0.000 1.158 142 A CA 0.712 52.371 52.037 -0.630 0.000 0.742 142 A CB -0.541 17.914 19.000 -0.908 0.000 0.790 142 A HN 0.208 nan 8.150 nan 0.000 0.472 143 F N -0.450 119.350 119.950 -0.249 0.000 2.639 143 F HA 0.198 4.725 4.527 -0.000 0.000 0.302 143 F C 1.867 177.534 175.800 -0.221 0.000 1.097 143 F CA -0.527 57.244 58.000 -0.382 0.000 1.294 143 F CB -0.415 37.926 39.000 -1.099 0.000 1.027 143 F HN 0.263 nan 8.300 nan 0.000 0.550 144 Q N 0.152 119.942 119.800 -0.016 0.000 2.170 144 Q HA -0.065 4.275 4.340 -0.000 0.000 0.203 144 Q C 2.178 178.239 176.000 0.102 0.000 0.976 144 Q CA 1.326 57.156 55.803 0.045 0.000 0.858 144 Q CB -0.301 28.447 28.738 0.016 0.000 0.907 144 Q HN 0.486 nan 8.270 nan 0.000 0.433 145 G N 0.065 108.929 108.800 0.106 0.000 3.233 145 G HA2 0.045 4.005 3.960 -0.000 0.000 0.227 145 G HA3 0.045 4.005 3.960 -0.000 0.000 0.227 145 G C -0.321 174.689 174.900 0.182 0.000 1.175 145 G CA -0.278 44.902 45.100 0.133 0.000 0.781 145 G HN 0.143 nan 8.290 nan 0.000 0.542 146 N N -0.174 118.669 118.700 0.237 0.000 2.342 146 N HA 0.665 5.405 4.740 -0.000 0.000 0.293 146 N C -1.044 174.710 175.510 0.406 0.000 1.026 146 N CA -0.442 52.798 53.050 0.317 0.000 0.857 146 N CB 2.377 41.077 38.487 0.355 0.000 1.256 146 N HN -0.061 nan 8.380 nan 0.000 0.484 147 L N 1.155 122.593 121.223 0.359 0.000 2.410 147 L HA 0.632 4.972 4.340 -0.000 0.000 0.270 147 L C -0.995 176.067 176.870 0.320 0.000 0.983 147 L CA -0.948 54.116 54.840 0.372 0.000 0.822 147 L CB 1.883 44.077 42.059 0.225 0.000 1.285 147 L HN 0.519 nan 8.230 nan 0.000 0.409 148 C N 2.344 121.812 119.300 0.280 0.000 2.408 148 C HA 0.512 4.972 4.460 -0.000 0.000 0.321 148 C C 1.355 176.247 174.990 -0.163 0.000 1.245 148 C CA -0.458 58.553 59.018 -0.012 0.000 1.523 148 C CB 1.717 29.320 27.740 -0.230 0.000 2.178 148 C HN 0.997 nan 8.230 nan 0.000 0.488 149 R N 2.350 122.833 120.500 -0.028 0.000 2.055 149 R HA 0.053 4.393 4.340 -0.000 0.000 0.226 149 R C 2.013 178.306 176.300 -0.012 0.000 1.135 149 R CA 2.221 58.307 56.100 -0.023 0.000 0.959 149 R CB -0.926 29.423 30.300 0.081 0.000 0.854 149 R HN 0.898 nan 8.270 nan 0.000 0.431 150 C N -0.450 118.885 119.300 0.060 0.000 2.432 150 C HA -0.005 4.455 4.460 -0.000 0.000 0.280 150 C C 2.386 177.350 174.990 -0.043 0.000 1.353 150 C CA 1.437 60.499 59.018 0.074 0.000 1.766 150 C CB -0.920 26.867 27.740 0.079 0.000 1.924 150 C HN 0.752 nan 8.230 nan 0.000 0.509 151 T N -3.242 111.205 114.554 -0.178 0.000 2.985 151 T HA 0.326 4.676 4.350 -0.000 0.000 0.254 151 T C 1.523 176.095 174.700 -0.214 0.000 1.021 151 T CA 1.145 63.136 62.100 -0.182 0.000 0.957 151 T CB -0.059 68.694 68.868 -0.192 0.000 1.047 151 T HN 0.806 nan 8.240 nan 0.000 0.511 152 G N 1.062 109.654 108.800 -0.347 0.000 2.233 152 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.270 152 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.270 152 G C 0.578 175.436 174.900 -0.070 0.000 1.011 152 G CA 0.793 45.775 45.100 -0.197 0.000 0.762 152 G HN 0.763 nan 8.290 nan 0.000 0.511 153 Y N -3.267 116.942 120.300 -0.151 0.000 4.167 153 Y HA -0.382 4.168 4.550 -0.000 0.000 0.343 153 Y C 2.269 178.136 175.900 -0.057 0.000 1.160 153 Y CA 2.208 60.139 58.100 -0.281 0.000 1.963 153 Y CB -1.379 36.825 38.460 -0.427 0.000 0.922 153 Y HN 0.492 nan 8.280 nan 0.000 0.443 154 R N 1.370 121.959 120.500 0.148 0.000 2.070 154 R HA -0.119 4.221 4.340 -0.000 0.000 0.233 154 R C -1.058 175.302 176.300 0.100 0.000 1.137 154 R CA 2.080 58.280 56.100 0.166 0.000 0.945 154 R CB -1.142 29.234 30.300 0.126 0.000 0.845 154 R HN 0.303 nan 8.270 nan 0.000 0.430 155 P HA -0.180 nan 4.420 nan 0.000 0.215 155 P C 1.685 178.930 177.300 -0.091 0.000 1.157 155 P CA 1.535 64.622 63.100 -0.022 0.000 0.874 155 P CB -0.268 31.394 31.700 -0.064 0.000 0.790 156 I N -0.740 119.763 120.570 -0.112 0.000 2.099 156 I HA -0.237 3.933 4.170 -0.000 0.000 0.239 156 I C 2.698 178.683 176.117 -0.219 0.000 1.066 156 I CA 1.451 62.600 61.300 -0.252 0.000 1.324 156 I CB -0.929 36.994 38.000 -0.128 0.000 1.037 156 I HN -0.148 nan 8.210 nan 0.000 0.401 157 L N 0.041 121.325 121.223 0.101 0.000 2.127 157 L HA -0.243 4.097 4.340 -0.000 0.000 0.211 157 L C 2.589 179.572 176.870 0.188 0.000 1.089 157 L CA 1.447 56.419 54.840 0.220 0.000 0.757 157 L CB -0.525 41.721 42.059 0.310 0.000 0.899 157 L HN 0.438 nan 8.230 nan 0.000 0.434 158 Q N -0.440 119.453 119.800 0.154 0.000 2.354 158 Q HA -0.045 4.295 4.340 -0.000 0.000 0.203 158 Q C 2.096 178.253 176.000 0.261 0.000 0.933 158 Q CA 0.757 56.696 55.803 0.227 0.000 0.901 158 Q CB 0.191 29.085 28.738 0.259 0.000 1.007 158 Q HN 0.482 nan 8.270 nan 0.000 0.495 159 G N 0.613 109.462 108.800 0.081 0.000 2.480 159 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 159 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 159 G C 0.833 175.905 174.900 0.285 0.000 1.200 159 G CA 0.630 45.769 45.100 0.065 0.000 0.782 159 G HN 0.336 nan 8.290 nan 0.000 0.554 160 F N 1.693 121.794 119.950 0.252 0.000 2.710 160 F HA 0.151 4.678 4.527 -0.000 0.000 0.298 160 F C 2.577 178.558 175.800 0.302 0.000 1.137 160 F CA 0.152 58.352 58.000 0.335 0.000 1.444 160 F CB -0.558 38.721 39.000 0.465 0.000 1.111 160 F HN 0.240 nan 8.300 nan 0.000 0.580 161 R N 0.235 120.976 120.500 0.402 0.000 2.133 161 R HA -0.232 4.108 4.340 -0.000 0.000 0.247 161 R C 2.083 178.532 176.300 0.248 0.000 1.151 161 R CA 2.002 58.281 56.100 0.298 0.000 0.971 161 R CB -1.591 28.846 30.300 0.229 0.000 0.866 161 R HN 0.203 nan 8.270 nan 0.000 0.447 162 T N -0.489 114.195 114.554 0.217 0.000 2.802 162 T HA -0.189 4.161 4.350 -0.000 0.000 0.269 162 T C 0.984 175.708 174.700 0.040 0.000 1.062 162 T CA 1.484 63.652 62.100 0.114 0.000 1.133 162 T CB -0.399 68.567 68.868 0.163 0.000 0.852 162 T HN 0.477 nan 8.240 nan 0.000 0.485 163 F N 1.191 121.269 119.950 0.213 0.000 2.731 163 F HA 0.525 5.052 4.527 -0.000 0.000 0.304 163 F C 0.992 176.850 175.800 0.097 0.000 1.133 163 F CA -0.328 57.753 58.000 0.134 0.000 1.380 163 F CB 0.223 39.277 39.000 0.091 0.000 1.079 163 F HN 0.214 nan 8.300 nan 0.000 0.550 164 A N 0.833 123.800 122.820 0.245 0.000 2.446 164 A HA 0.831 5.151 4.320 -0.000 0.000 0.282 164 A C -0.314 177.341 177.584 0.119 0.000 1.102 164 A CA -0.450 51.692 52.037 0.176 0.000 0.737 164 A CB 1.007 20.115 19.000 0.180 0.000 1.212 164 A HN 0.311 nan 8.150 nan 0.000 0.434 194 S N 0.349 116.023 115.700 -0.043 0.000 2.593 194 S HA 0.313 4.783 4.470 -0.000 0.000 0.269 194 S C 1.377 176.153 174.600 0.293 0.000 1.334 194 S CA -0.424 57.856 58.200 0.133 0.000 1.015 194 S CB 0.636 63.831 63.200 -0.009 0.000 0.912 194 S HN 0.249 nan 8.310 nan 0.000 0.541 195 L N 1.985 123.357 121.223 0.249 0.000 2.291 195 L HA 0.205 4.545 4.340 -0.000 0.000 0.214 195 L C -0.216 176.881 176.870 0.379 0.000 1.120 195 L CA 0.528 55.508 54.840 0.234 0.000 0.799 195 L CB -0.179 41.998 42.059 0.196 0.000 0.925 195 L HN 0.771 nan 8.230 nan 0.000 0.446 196 F N -2.034 117.988 119.950 0.120 0.000 2.662 196 F HA 0.286 4.813 4.527 -0.000 0.000 0.319 196 F C -1.347 174.437 175.800 -0.025 0.000 1.079 196 F CA -1.648 56.399 58.000 0.077 0.000 1.062 196 F CB 0.396 39.448 39.000 0.087 0.000 1.299 196 F HN -0.285 nan 8.300 nan 0.000 0.487 197 K N 4.042 124.491 120.400 0.081 0.000 2.250 197 K HA 0.318 4.638 4.320 -0.000 0.000 0.280 197 K C -2.580 173.797 176.600 -0.372 0.000 1.098 197 K CA -1.486 54.722 56.287 -0.133 0.000 0.916 197 K CB 1.411 33.875 32.500 -0.060 0.000 1.209 197 K HN 0.348 nan 8.250 nan 0.000 0.461 198 P HA -0.110 nan 4.420 nan 0.000 0.245 198 P C 0.725 177.519 177.300 -0.844 0.000 1.212 198 P CA 0.524 62.921 63.100 -1.173 0.000 0.774 198 P CB 0.223 31.534 31.700 -0.647 0.000 0.999 199 E N 0.726 120.678 120.200 -0.413 0.000 2.481 199 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 199 E C 1.300 177.836 176.600 -0.107 0.000 1.047 199 E CA 0.634 56.912 56.400 -0.203 0.000 0.867 199 E CB -0.422 29.203 29.700 -0.125 0.000 0.858 199 E HN 0.402 nan 8.360 nan 0.000 0.513 200 E N 0.965 121.104 120.200 -0.102 0.000 2.481 200 E HA 0.038 4.388 4.350 -0.000 0.000 0.198 200 E C -0.206 176.525 176.600 0.218 0.000 1.027 200 E CA -0.525 55.905 56.400 0.049 0.000 0.900 200 E CB -0.256 29.474 29.700 0.051 0.000 0.993 200 E HN 0.162 nan 8.360 nan 0.000 0.482 201 F N 3.183 123.152 119.950 0.032 0.000 2.608 201 F HA -0.024 4.503 4.527 -0.000 0.000 0.380 201 F C 1.203 177.010 175.800 0.012 0.000 1.083 201 F CA 0.076 58.090 58.000 0.022 0.000 1.266 201 F CB 0.657 39.659 39.000 0.003 0.000 1.076 201 F HN -0.046 nan 8.300 nan 0.000 0.574 202 T N 1.715 116.367 114.554 0.163 0.000 2.901 202 T HA 0.154 4.504 4.350 -0.000 0.000 0.301 202 T C -1.778 172.964 174.700 0.071 0.000 1.012 202 T CA -1.514 60.638 62.100 0.086 0.000 1.135 202 T CB 1.400 70.294 68.868 0.043 0.000 0.936 202 T HN 0.329 nan 8.240 nan 0.000 0.539 203 P HA 0.245 nan 4.420 nan 0.000 0.220 203 P C 0.158 177.502 177.300 0.074 0.000 1.154 203 P CA -0.034 63.110 63.100 0.073 0.000 0.830 203 P CB -0.085 31.650 31.700 0.058 0.000 0.803 204 L N -0.513 120.733 121.223 0.037 0.000 1.391 204 L HA -0.011 4.329 4.340 -0.000 0.000 0.578 204 L C -1.827 175.055 176.870 0.019 0.000 0.998 204 L CA -0.180 54.675 54.840 0.024 0.000 1.230 204 L CB -1.225 40.906 42.059 0.119 0.000 2.087 204 L HN -0.060 nan 8.230 nan 0.000 1.081 205 D N 7.356 127.748 120.400 -0.013 0.000 2.440 205 D HA 0.582 5.222 4.640 -0.000 0.000 0.252 205 D C -2.040 174.255 176.300 -0.009 0.000 1.180 205 D CA -1.583 52.414 54.000 -0.003 0.000 0.894 205 D CB 1.699 42.496 40.800 -0.005 0.000 1.111 205 D HN 0.342 nan 8.370 nan 0.000 0.544 206 P HA -0.022 nan 4.420 nan 0.000 0.233 206 P C 1.315 178.616 177.300 0.001 0.000 1.167 206 P CA 0.639 63.734 63.100 -0.009 0.000 0.770 206 P CB 0.011 31.697 31.700 -0.024 0.000 0.837 207 T N -3.392 111.165 114.554 0.004 0.000 3.025 207 T HA -0.154 4.196 4.350 -0.000 0.000 0.270 207 T C 1.591 176.300 174.700 0.015 0.000 1.126 207 T CA 1.093 63.199 62.100 0.010 0.000 1.105 207 T CB -0.607 68.266 68.868 0.008 0.000 0.884 207 T HN -0.063 nan 8.240 nan 0.000 0.522 208 Q N 0.519 120.328 119.800 0.015 0.000 2.198 208 Q HA 0.274 4.614 4.340 -0.000 0.000 0.209 208 Q C -0.102 175.923 176.000 0.042 0.000 0.848 208 Q CA -0.132 55.682 55.803 0.018 0.000 0.974 208 Q CB 0.336 29.076 28.738 0.003 0.000 1.115 208 Q HN 0.551 nan 8.270 nan 0.000 0.494 209 E N 1.277 121.512 120.200 0.059 0.000 2.374 209 E HA 0.225 4.575 4.350 -0.000 0.000 0.260 209 E C -1.938 174.706 176.600 0.073 0.000 1.101 209 E CA -1.662 54.798 56.400 0.101 0.000 0.907 209 E CB -0.069 29.696 29.700 0.108 0.000 1.014 209 E HN 0.194 nan 8.360 nan 0.000 0.427 210 P HA 0.245 nan 4.420 nan 0.000 0.276 210 P C -0.214 177.115 177.300 0.049 0.000 1.244 210 P CA -0.487 62.640 63.100 0.045 0.000 0.801 210 P CB 1.034 32.751 31.700 0.027 0.000 1.006 211 I N 2.329 122.915 120.570 0.028 0.000 2.385 211 I HA 0.228 4.398 4.170 -0.000 0.000 0.294 211 I C -0.555 175.585 176.117 0.039 0.000 0.988 211 I CA -1.051 60.276 61.300 0.045 0.000 1.265 211 I CB 0.564 38.572 38.000 0.014 0.000 1.388 211 I HN 0.236 nan 8.210 nan 0.000 0.480 212 F N 10.040 129.981 119.950 -0.015 0.000 2.557 212 F HA 0.291 4.818 4.527 -0.000 0.000 0.384 212 F C -1.922 173.800 175.800 -0.130 0.000 1.057 212 F CA -1.330 56.642 58.000 -0.047 0.000 1.169 212 F CB 0.062 39.053 39.000 -0.015 0.000 1.070 212 F HN 0.354 nan 8.300 nan 0.000 0.554 213 P HA 0.065 nan 4.420 nan 0.000 0.267 213 P C -2.197 174.784 177.300 -0.532 0.000 1.205 213 P CA -0.993 61.695 63.100 -0.686 0.000 0.765 213 P CB 0.281 31.336 31.700 -1.075 0.000 0.828 214 P HA -0.048 nan 4.420 nan 0.000 0.245 214 P C 1.087 178.279 177.300 -0.181 0.000 1.206 214 P CA 0.709 63.709 63.100 -0.168 0.000 0.781 214 P CB 0.270 31.918 31.700 -0.087 0.000 0.994 215 E N 0.558 120.609 120.200 -0.248 0.000 2.046 215 E HA -0.052 4.298 4.350 -0.000 0.000 0.190 215 E C 0.737 177.227 176.600 -0.184 0.000 0.982 215 E CA 0.314 56.621 56.400 -0.155 0.000 0.800 215 E CB -0.479 29.210 29.700 -0.018 0.000 0.756 215 E HN 0.135 nan 8.360 nan 0.000 0.449 216 L N 1.075 122.077 121.223 -0.368 0.000 2.483 216 L HA -0.049 4.291 4.340 -0.000 0.000 0.277 216 L C 1.238 178.028 176.870 -0.134 0.000 1.248 216 L CA 0.229 54.918 54.840 -0.252 0.000 0.825 216 L CB 0.197 42.083 42.059 -0.288 0.000 1.096 216 L HN 0.413 nan 8.230 nan 0.000 0.512 217 L N -1.685 119.477 121.223 -0.103 0.000 2.962 217 L HA -0.292 4.048 4.340 -0.000 0.000 0.424 217 L C 1.983 178.776 176.870 -0.130 0.000 0.702 217 L CA 1.128 55.871 54.840 -0.162 0.000 3.054 217 L CB -0.817 41.196 42.059 -0.078 0.000 0.739 217 L HN 0.736 nan 8.230 nan 0.000 0.730 218 R N -0.189 120.254 120.500 -0.095 0.000 2.254 218 R HA 0.097 4.437 4.340 -0.000 0.000 0.195 218 R C 1.666 177.939 176.300 -0.045 0.000 0.957 218 R CA 0.163 56.226 56.100 -0.062 0.000 1.024 218 R CB 0.348 30.623 30.300 -0.041 0.000 0.952 218 R HN 0.180 nan 8.270 nan 0.000 0.484 219 L N 1.227 122.413 121.223 -0.061 0.000 1.946 219 L HA -0.099 4.241 4.340 -0.000 0.000 0.213 219 L C 1.629 178.496 176.870 -0.005 0.000 1.149 219 L CA 1.961 56.788 54.840 -0.021 0.000 0.910 219 L CB -1.182 40.839 42.059 -0.063 0.000 0.939 219 L HN 0.160 nan 8.230 nan 0.000 0.501 220 K N -0.974 119.432 120.400 0.010 0.000 3.187 220 K HA -0.312 4.008 4.320 -0.000 0.000 0.293 220 K C 0.730 177.353 176.600 0.038 0.000 1.117 220 K CA 2.146 58.452 56.287 0.031 0.000 0.922 220 K CB -1.051 31.344 32.500 -0.176 0.000 1.307 220 K HN 0.510 nan 8.250 nan 0.000 0.411 221 D N 0.051 120.460 120.400 0.014 0.000 2.999 221 D HA 0.010 4.650 4.640 -0.000 0.000 0.273 221 D C -0.145 176.166 176.300 0.020 0.000 1.485 221 D CA 0.930 54.938 54.000 0.014 0.000 1.101 221 D CB -0.377 40.422 40.800 -0.000 0.000 1.109 221 D HN 0.199 nan 8.370 nan 0.000 0.368 222 T N 4.859 119.426 114.554 0.023 0.000 2.448 222 T HA -0.015 4.335 4.350 -0.000 0.000 0.204 222 T C -2.080 172.641 174.700 0.034 0.000 1.230 222 T CA -0.222 61.899 62.100 0.034 0.000 3.823 222 T CB -0.831 68.066 68.868 0.048 0.000 0.634 222 T HN 0.146 nan 8.240 nan 0.000 0.219 223 P HA 0.334 nan 4.420 nan 0.000 0.279 223 P C -0.027 177.264 177.300 -0.015 0.000 1.252 223 P CA -1.011 62.087 63.100 -0.004 0.000 0.811 223 P CB 0.863 32.561 31.700 -0.003 0.000 1.035 224 R N 1.014 121.478 120.500 -0.061 0.000 2.441 224 R HA 0.546 4.886 4.340 -0.000 0.000 0.284 224 R C -0.021 176.290 176.300 0.018 0.000 1.070 224 R CA -0.788 55.265 56.100 -0.078 0.000 1.047 224 R CB 0.290 30.415 30.300 -0.293 0.000 1.016 224 R HN 0.426 nan 8.270 nan 0.000 0.477 225 K N 0.299 120.747 120.400 0.080 0.000 2.350 225 K HA 0.167 4.487 4.320 -0.000 0.000 0.241 225 K C -0.723 175.981 176.600 0.173 0.000 0.994 225 K CA -1.130 55.217 56.287 0.100 0.000 0.839 225 K CB 1.254 33.795 32.500 0.067 0.000 1.244 225 K HN 0.657 nan 8.250 nan 0.000 0.443 226 Q N 1.901 121.779 119.800 0.130 0.000 2.364 226 Q HA 0.177 4.517 4.340 -0.000 0.000 0.267 226 Q C -1.080 174.947 176.000 0.045 0.000 0.999 226 Q CA -0.242 55.629 55.803 0.112 0.000 0.886 226 Q CB 0.487 29.244 28.738 0.031 0.000 1.243 226 Q HN 0.609 nan 8.270 nan 0.000 0.415 227 L N 3.082 124.290 121.223 -0.025 0.000 2.334 227 L HA 0.604 4.944 4.340 -0.000 0.000 0.276 227 L C -0.070 176.552 176.870 -0.414 0.000 1.014 227 L CA -0.868 53.849 54.840 -0.204 0.000 0.815 227 L CB 1.804 43.715 42.059 -0.247 0.000 1.268 227 L HN 0.730 nan 8.230 nan 0.000 0.428 228 R N 2.867 123.119 120.500 -0.414 0.000 2.480 228 R HA 0.594 4.934 4.340 -0.000 0.000 0.306 228 R C -1.909 174.185 176.300 -0.343 0.000 0.958 228 R CA -0.380 55.517 56.100 -0.338 0.000 0.861 228 R CB 1.298 31.508 30.300 -0.149 0.000 1.171 228 R HN 0.457 nan 8.270 nan 0.000 0.445 229 F N 1.691 121.701 119.950 0.100 0.000 2.522 229 F HA 0.415 4.942 4.527 -0.000 0.000 0.324 229 F C 0.038 175.870 175.800 0.054 0.000 1.077 229 F CA -0.943 57.081 58.000 0.040 0.000 0.944 229 F CB 2.480 41.461 39.000 -0.032 0.000 1.175 229 F HN 0.417 nan 8.300 nan 0.000 0.468 230 E N 0.669 121.008 120.200 0.232 0.000 2.218 230 E HA 0.491 4.841 4.350 -0.000 0.000 0.263 230 E C -0.105 176.560 176.600 0.109 0.000 0.879 230 E CA -0.434 56.052 56.400 0.143 0.000 0.762 230 E CB 2.044 31.804 29.700 0.099 0.000 1.166 230 E HN 0.773 nan 8.360 nan 0.000 0.415 231 G N 1.753 110.615 108.800 0.103 0.000 2.945 231 G HA2 0.091 4.051 3.960 -0.000 0.000 0.156 231 G HA3 0.091 4.051 3.960 -0.000 0.000 0.156 231 G C 0.352 175.299 174.900 0.077 0.000 1.375 231 G CA -0.103 45.045 45.100 0.081 0.000 1.039 231 G HN 0.557 nan 8.290 nan 0.000 0.586 232 E N -1.703 118.545 120.200 0.081 0.000 2.330 232 E HA 0.229 4.579 4.350 -0.000 0.000 0.200 232 E C 2.189 178.835 176.600 0.077 0.000 0.922 232 E CA 0.018 56.467 56.400 0.083 0.000 0.935 232 E CB 0.394 30.158 29.700 0.107 0.000 0.917 232 E HN 0.345 nan 8.360 nan 0.000 0.491 233 R N -0.930 119.620 120.500 0.084 0.000 2.663 233 R HA 0.228 4.568 4.340 -0.000 0.000 0.199 233 R C -0.338 176.016 176.300 0.090 0.000 0.870 233 R CA 0.104 56.252 56.100 0.079 0.000 1.040 233 R CB 1.572 31.921 30.300 0.082 0.000 1.524 233 R HN -0.105 nan 8.270 nan 0.000 0.643 234 V N 1.686 121.666 119.914 0.110 0.000 2.630 234 V HA 0.428 4.548 4.120 -0.000 0.000 0.305 234 V C -0.072 176.113 176.094 0.151 0.000 1.046 234 V CA -0.413 61.970 62.300 0.138 0.000 0.934 234 V CB 1.898 33.824 31.823 0.172 0.000 1.003 234 V HN 0.056 nan 8.190 nan 0.000 0.451 235 T N 3.990 118.635 114.554 0.152 0.000 2.841 235 T HA 0.394 4.744 4.350 -0.000 0.000 0.285 235 T C -1.195 173.617 174.700 0.187 0.000 0.991 235 T CA -0.259 61.930 62.100 0.149 0.000 0.966 235 T CB 1.182 70.095 68.868 0.075 0.000 0.962 235 T HN 0.756 nan 8.240 nan 0.000 0.438 236 W N 5.593 126.895 121.300 0.004 0.000 2.600 236 W HA 0.649 5.309 4.660 -0.000 0.000 0.325 236 W C -2.199 174.234 176.519 -0.143 0.000 1.034 236 W CA -1.420 55.908 57.345 -0.028 0.000 1.226 236 W CB 0.657 30.163 29.460 0.076 0.000 1.379 236 W HN 0.520 nan 8.180 nan 0.000 0.466 237 I N 5.313 125.708 120.570 -0.291 0.000 2.355 237 I HA 0.043 4.213 4.170 -0.000 0.000 0.288 237 I C -0.054 175.774 176.117 -0.480 0.000 0.999 237 I CA -0.527 60.579 61.300 -0.323 0.000 1.163 237 I CB 1.809 39.650 38.000 -0.266 0.000 1.316 237 I HN 0.293 nan 8.210 nan 0.000 0.454 238 Q N 5.957 125.540 119.800 -0.362 0.000 2.377 238 Q HA 0.585 4.925 4.340 -0.000 0.000 0.249 238 Q C -0.571 175.228 176.000 -0.335 0.000 1.005 238 Q CA -0.319 55.224 55.803 -0.434 0.000 0.912 238 Q CB 1.226 29.711 28.738 -0.422 0.000 1.223 238 Q HN 0.719 nan 8.270 nan 0.000 0.459 239 A N 2.715 125.369 122.820 -0.276 0.000 2.302 239 A HA 0.524 4.844 4.320 -0.000 0.000 0.285 239 A C 0.651 178.271 177.584 0.060 0.000 1.105 239 A CA 0.178 52.156 52.037 -0.099 0.000 0.816 239 A CB 0.835 19.768 19.000 -0.111 0.000 1.067 239 A HN 0.940 nan 8.150 nan 0.000 0.489 240 S N 0.221 116.001 115.700 0.133 0.000 2.731 240 S HA 0.137 4.607 4.470 -0.000 0.000 0.244 240 S C 0.985 175.665 174.600 0.132 0.000 1.084 240 S CA 0.921 59.268 58.200 0.246 0.000 0.877 240 S CB -0.568 62.795 63.200 0.272 0.000 0.798 240 S HN 1.298 nan 8.310 nan 0.000 0.496 241 T N 0.487 115.083 114.554 0.070 0.000 2.912 241 T HA 0.543 4.892 4.350 -0.000 0.000 0.280 241 T C 0.913 175.625 174.700 0.021 0.000 0.989 241 T CA -0.418 61.705 62.100 0.039 0.000 0.995 241 T CB 1.225 70.106 68.868 0.022 0.000 1.077 241 T HN 0.171 nan 8.240 nan 0.000 0.531 242 L N 1.715 122.944 121.223 0.009 0.000 2.131 242 L HA 0.294 4.634 4.340 -0.000 0.000 0.206 242 L C 2.540 179.403 176.870 -0.011 0.000 1.087 242 L CA 1.752 56.588 54.840 -0.006 0.000 0.767 242 L CB -1.157 40.896 42.059 -0.011 0.000 0.917 242 L HN 0.875 nan 8.230 nan 0.000 0.441 243 K N 0.363 120.759 120.400 -0.007 0.000 2.015 243 K HA -0.272 4.048 4.320 -0.000 0.000 0.216 243 K C 1.773 178.366 176.600 -0.012 0.000 1.052 243 K CA 2.491 58.773 56.287 -0.009 0.000 0.937 243 K CB -0.299 32.198 32.500 -0.005 0.000 0.719 243 K HN 0.673 nan 8.250 nan 0.000 0.446 244 E N 0.595 120.790 120.200 -0.009 0.000 2.333 244 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 244 E C 2.068 178.647 176.600 -0.035 0.000 1.007 244 E CA 0.848 57.238 56.400 -0.018 0.000 0.845 244 E CB -0.231 29.460 29.700 -0.014 0.000 0.766 244 E HN 0.306 nan 8.360 nan 0.000 0.507 245 L N 0.636 121.836 121.223 -0.037 0.000 2.102 245 L HA 0.004 4.344 4.340 -0.000 0.000 0.202 245 L C 2.136 178.977 176.870 -0.048 0.000 1.076 245 L CA 1.266 56.072 54.840 -0.057 0.000 0.761 245 L CB -0.295 41.729 42.059 -0.059 0.000 0.921 245 L HN 0.041 nan 8.230 nan 0.000 0.444 246 L N -0.066 121.136 121.223 -0.035 0.000 2.191 246 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 246 L C 2.048 178.905 176.870 -0.021 0.000 1.103 246 L CA 1.135 55.957 54.840 -0.029 0.000 0.769 246 L CB -0.598 41.446 42.059 -0.025 0.000 0.908 246 L HN 0.330 nan 8.230 nan 0.000 0.438 247 D N -0.785 119.605 120.400 -0.017 0.000 2.137 247 D HA -0.130 4.510 4.640 -0.000 0.000 0.202 247 D C 1.954 178.256 176.300 0.005 0.000 0.970 247 D CA 0.702 54.699 54.000 -0.005 0.000 0.837 247 D CB -0.048 40.749 40.800 -0.005 0.000 0.981 247 D HN 0.069 nan 8.370 nan 0.000 0.475 248 L N 1.256 122.471 121.223 -0.013 0.000 1.994 248 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 248 L C 1.667 178.546 176.870 0.016 0.000 1.071 248 L CA 1.899 56.728 54.840 -0.017 0.000 0.745 248 L CB -0.838 41.175 42.059 -0.076 0.000 0.892 248 L HN -0.183 nan 8.230 nan 0.000 0.431 249 K N -0.118 120.275 120.400 -0.012 0.000 2.362 249 K HA 0.041 4.361 4.320 -0.000 0.000 0.200 249 K C 1.888 178.494 176.600 0.011 0.000 1.046 249 K CA 0.997 57.281 56.287 -0.005 0.000 0.952 249 K CB -0.158 32.323 32.500 -0.032 0.000 0.753 249 K HN 0.528 nan 8.250 nan 0.000 0.466 250 A N 1.097 123.923 122.820 0.010 0.000 2.021 250 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 250 A C 1.835 179.424 177.584 0.009 0.000 1.163 250 A CA 0.872 52.911 52.037 0.004 0.000 0.676 250 A CB -0.165 18.831 19.000 -0.006 0.000 0.818 250 A HN 0.460 nan 8.150 nan 0.000 0.453 251 Q N -1.345 118.481 119.800 0.043 0.000 2.319 251 Q HA 0.083 4.423 4.340 -0.000 0.000 0.202 251 Q C -0.601 175.348 176.000 -0.085 0.000 0.896 251 Q CA 0.281 56.084 55.803 0.001 0.000 0.942 251 Q CB 0.035 28.790 28.738 0.029 0.000 1.083 251 Q HN 0.701 nan 8.270 nan 0.000 0.510 252 H N 0.047 119.103 119.070 -0.025 0.000 2.734 252 H HA 0.180 4.736 4.556 -0.000 0.000 0.247 252 H C -2.450 172.862 175.328 -0.026 0.000 1.415 252 H CA -1.345 54.690 56.048 -0.022 0.000 1.514 252 H CB 1.932 31.679 29.762 -0.025 0.000 1.841 252 H HN 0.162 nan 8.280 nan 0.000 0.609 253 P HA -0.077 nan 4.420 nan 0.000 0.229 253 P C 1.032 178.343 177.300 0.020 0.000 1.160 253 P CA 0.822 63.934 63.100 0.020 0.000 0.777 253 P CB 0.357 32.055 31.700 -0.003 0.000 0.814 254 D N -1.032 119.393 120.400 0.042 0.000 2.328 254 D HA 0.125 4.765 4.640 -0.000 0.000 0.221 254 D C 0.478 176.818 176.300 0.066 0.000 1.072 254 D CA -0.244 53.788 54.000 0.054 0.000 0.850 254 D CB -0.409 40.426 40.800 0.059 0.000 0.922 254 D HN -0.005 nan 8.370 nan 0.000 0.516 255 A N 0.594 123.439 122.820 0.043 0.000 2.363 255 A HA 0.432 4.752 4.320 -0.000 0.000 0.270 255 A C 0.071 177.621 177.584 -0.055 0.000 1.121 255 A CA -0.486 51.552 52.037 0.001 0.000 0.800 255 A CB 0.717 19.700 19.000 -0.029 0.000 1.052 255 A HN 0.079 nan 8.150 nan 0.000 0.493 256 K N 2.544 122.882 120.400 -0.104 0.000 2.244 256 K HA 0.531 4.851 4.320 -0.000 0.000 0.260 256 K C -1.173 175.282 176.600 -0.240 0.000 0.951 256 K CA -0.330 55.845 56.287 -0.188 0.000 0.826 256 K CB 0.964 33.278 32.500 -0.310 0.000 1.108 256 K HN 0.588 nan 8.250 nan 0.000 0.433 257 L N 5.159 126.246 121.223 -0.227 0.000 2.278 257 L HA 0.349 4.689 4.340 -0.000 0.000 0.287 257 L C -0.805 175.923 176.870 -0.238 0.000 1.072 257 L CA -0.818 53.886 54.840 -0.227 0.000 0.819 257 L CB 1.198 43.156 42.059 -0.168 0.000 1.176 257 L HN 0.453 nan 8.230 nan 0.000 0.435 258 V N 5.473 125.217 119.914 -0.283 0.000 2.409 258 V HA 0.248 4.368 4.120 -0.000 0.000 0.291 258 V C 0.683 176.676 176.094 -0.169 0.000 1.020 258 V CA -0.285 61.887 62.300 -0.214 0.000 0.848 258 V CB 2.054 33.751 31.823 -0.210 0.000 0.990 258 V HN 0.597 nan 8.190 nan 0.000 0.430 259 V N 4.080 123.940 119.914 -0.091 0.000 2.695 259 V HA 0.230 4.350 4.120 -0.000 0.000 0.230 259 V C 2.009 178.105 176.094 0.003 0.000 1.110 259 V CA 1.508 63.776 62.300 -0.054 0.000 1.159 259 V CB -0.310 31.479 31.823 -0.057 0.000 0.875 259 V HN 0.859 nan 8.190 nan 0.000 0.502 260 G N -0.996 107.808 108.800 0.005 0.000 2.833 260 G HA2 0.009 3.969 3.960 -0.000 0.000 0.210 260 G HA3 0.009 3.969 3.960 -0.000 0.000 0.210 260 G C 0.702 175.633 174.900 0.051 0.000 1.139 260 G CA 0.722 45.839 45.100 0.028 0.000 0.771 260 G HN 0.609 nan 8.290 nan 0.000 0.535 261 N N 0.102 118.829 118.700 0.044 0.000 2.778 261 N HA -0.250 4.490 4.740 -0.000 0.000 0.249 261 N C 1.427 176.970 175.510 0.055 0.000 1.069 261 N CA 1.990 55.076 53.050 0.060 0.000 0.831 261 N CB -1.705 36.849 38.487 0.111 0.000 1.142 261 N HN 0.360 nan 8.380 nan 0.000 0.573 262 T N -4.495 110.087 114.554 0.046 0.000 3.118 262 T HA 0.090 4.440 4.350 -0.000 0.000 0.260 262 T C 1.247 175.966 174.700 0.032 0.000 1.139 262 T CA 1.219 63.347 62.100 0.046 0.000 1.085 262 T CB 0.273 69.176 68.868 0.059 0.000 0.934 262 T HN 0.312 nan 8.240 nan 0.000 0.518 263 E N 0.988 121.203 120.200 0.025 0.000 2.329 263 E HA 0.247 4.597 4.350 -0.000 0.000 0.189 263 E C 2.039 178.654 176.600 0.025 0.000 0.997 263 E CA -0.234 56.176 56.400 0.016 0.000 1.062 263 E CB -0.361 29.342 29.700 0.005 0.000 1.260 263 E HN 0.191 nan 8.360 nan 0.000 0.490 264 I N 1.666 122.237 120.570 0.003 0.000 2.103 264 I HA -0.320 3.850 4.170 -0.000 0.000 0.241 264 I C 2.354 178.531 176.117 0.100 0.000 1.036 264 I CA 2.106 63.417 61.300 0.018 0.000 1.300 264 I CB -2.020 35.943 38.000 -0.063 0.000 1.010 264 I HN 0.359 nan 8.210 nan 0.000 0.406 265 G N 1.784 110.638 108.800 0.090 0.000 2.663 265 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.222 265 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.222 265 G C 1.591 176.559 174.900 0.115 0.000 1.146 265 G CA 1.287 46.453 45.100 0.110 0.000 0.764 265 G HN 0.302 nan 8.290 nan 0.000 0.608 266 I N 1.103 121.702 120.570 0.049 0.000 2.163 266 I HA -0.079 4.091 4.170 -0.000 0.000 0.240 266 I C 2.692 178.873 176.117 0.106 0.000 1.081 266 I CA 1.256 62.536 61.300 -0.032 0.000 1.353 266 I CB -1.434 36.485 38.000 -0.134 0.000 1.054 266 I HN 0.394 nan 8.210 nan 0.000 0.407 267 E N 0.341 120.626 120.200 0.141 0.000 2.077 267 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 267 E C 2.303 179.053 176.600 0.250 0.000 0.989 267 E CA 1.185 57.707 56.400 0.203 0.000 0.800 267 E CB -0.145 29.699 29.700 0.240 0.000 0.746 267 E HN 0.448 nan 8.360 nan 0.000 0.452 268 M N 0.528 120.289 119.600 0.268 0.000 2.156 268 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 268 M C 2.431 178.871 176.300 0.234 0.000 1.067 268 M CA 1.196 56.648 55.300 0.253 0.000 1.131 268 M CB -0.179 32.576 32.600 0.259 0.000 1.368 268 M HN -0.064 nan 8.290 nan 0.000 0.416 269 K N -0.270 120.311 120.400 0.302 0.000 2.155 269 K HA -0.085 4.235 4.320 -0.000 0.000 0.203 269 K C 1.077 177.868 176.600 0.319 0.000 1.052 269 K CA 1.279 57.771 56.287 0.341 0.000 0.948 269 K CB 0.294 33.051 32.500 0.427 0.000 0.728 269 K HN 0.127 nan 8.250 nan 0.000 0.448 270 F N 0.057 120.063 119.950 0.094 0.000 2.747 270 F HA 0.263 4.790 4.527 -0.000 0.000 0.305 270 F C 0.268 176.121 175.800 0.088 0.000 1.065 270 F CA -0.057 57.997 58.000 0.090 0.000 1.230 270 F CB 0.800 39.857 39.000 0.095 0.000 1.027 270 F HN -0.257 nan 8.300 nan 0.000 0.607 271 K N 1.023 121.594 120.400 0.285 0.000 3.147 271 K HA 0.182 4.502 4.320 -0.000 0.000 0.214 271 K C -0.160 176.514 176.600 0.123 0.000 1.221 271 K CA -0.211 56.188 56.287 0.186 0.000 1.117 271 K CB -0.391 32.218 32.500 0.181 0.000 1.278 271 K HN 0.077 nan 8.250 nan 0.000 0.479 272 N N 2.450 121.214 118.700 0.106 0.000 3.017 272 N HA -0.182 4.558 4.740 -0.000 0.000 0.286 272 N C -0.098 175.432 175.510 0.033 0.000 1.165 272 N CA 0.852 53.946 53.050 0.074 0.000 0.904 272 N CB -0.171 38.347 38.487 0.051 0.000 0.926 272 N HN 0.378 nan 8.380 nan 0.000 0.625 273 M N 0.688 120.301 119.600 0.021 0.000 2.240 273 M HA 0.180 4.660 4.480 -0.000 0.000 0.333 273 M C 0.141 176.334 176.300 -0.178 0.000 1.110 273 M CA 0.030 55.257 55.300 -0.121 0.000 1.173 273 M CB 0.930 33.433 32.600 -0.161 0.000 1.458 273 M HN 0.048 nan 8.290 nan 0.000 0.458 274 L N 2.964 123.955 121.223 -0.387 0.000 2.555 274 L HA 0.511 4.851 4.340 -0.000 0.000 0.264 274 L C -2.042 174.612 176.870 -0.360 0.000 0.972 274 L CA -0.037 54.662 54.840 -0.235 0.000 0.876 274 L CB 0.920 42.939 42.059 -0.067 0.000 1.216 274 L HN 0.435 nan 8.230 nan 0.000 0.415 275 F N 6.203 126.186 119.950 0.056 0.000 2.410 275 F HA 0.649 5.176 4.527 -0.000 0.000 0.349 275 F C -1.555 174.276 175.800 0.051 0.000 1.117 275 F CA -1.606 56.421 58.000 0.044 0.000 1.104 275 F CB 1.009 40.030 39.000 0.035 0.000 1.122 275 F HN 0.411 nan 8.300 nan 0.000 0.483 276 P HA 0.131 nan 4.420 nan 0.000 0.272 276 P C -0.151 177.222 177.300 0.122 0.000 1.276 276 P CA 0.460 63.639 63.100 0.132 0.000 0.871 276 P CB 0.922 32.674 31.700 0.086 0.000 1.313 277 M N 0.935 120.608 119.600 0.122 0.000 2.142 277 M HA 0.420 4.900 4.480 -0.000 0.000 0.299 277 M C -1.580 174.725 176.300 0.009 0.000 0.960 277 M CA -0.745 54.587 55.300 0.055 0.000 0.920 277 M CB 1.611 34.220 32.600 0.016 0.000 1.541 277 M HN -0.269 nan 8.290 nan 0.000 0.429 278 I N 4.027 124.569 120.570 -0.046 0.000 2.569 278 I HA 0.560 4.730 4.170 -0.000 0.000 0.296 278 I C -0.853 175.034 176.117 -0.384 0.000 1.028 278 I CA -1.099 60.084 61.300 -0.195 0.000 1.082 278 I CB 2.255 40.128 38.000 -0.211 0.000 1.264 278 I HN 0.360 nan 8.210 nan 0.000 0.429 279 V N 5.821 125.483 119.914 -0.421 0.000 2.487 279 V HA 0.475 4.595 4.120 -0.000 0.000 0.298 279 V C -0.884 174.862 176.094 -0.580 0.000 1.028 279 V CA -0.401 61.602 62.300 -0.494 0.000 0.860 279 V CB 1.554 33.190 31.823 -0.311 0.000 0.991 279 V HN 0.972 nan 8.190 nan 0.000 0.427 280 C N 9.722 128.568 119.300 -0.757 0.000 2.303 280 C HA 0.808 5.268 4.460 -0.000 0.000 0.326 280 C C -1.744 173.001 174.990 -0.408 0.000 1.285 280 C CA -1.348 57.285 59.018 -0.642 0.000 1.675 280 C CB 1.370 28.553 27.740 -0.928 0.000 2.289 280 C HN 0.881 nan 8.230 nan 0.000 0.512 281 P HA 0.340 nan 4.420 nan 0.000 0.258 281 P C 0.857 178.093 177.300 -0.107 0.000 1.251 281 P CA 2.539 65.540 63.100 -0.165 0.000 0.694 281 P CB 0.110 31.739 31.700 -0.119 0.000 1.439 282 A N -3.640 119.164 122.820 -0.025 0.000 4.018 282 A HA -0.191 4.129 4.320 -0.000 0.000 0.252 282 A C 1.451 179.160 177.584 0.208 0.000 0.872 282 A CA 1.602 53.659 52.037 0.034 0.000 1.417 282 A CB -2.992 15.993 19.000 -0.025 0.000 1.002 282 A HN 0.350 nan 8.150 nan 0.000 0.777 283 W N 0.469 121.766 121.300 -0.005 0.000 2.808 283 W HA 0.392 5.052 4.660 -0.000 0.000 0.266 283 W C 0.760 177.270 176.519 -0.015 0.000 1.247 283 W CA 0.032 57.380 57.345 0.004 0.000 1.440 283 W CB -0.012 29.459 29.460 0.020 0.000 1.040 283 W HN 0.320 nan 8.180 nan 0.000 0.606 284 I N 4.086 124.772 120.570 0.194 0.000 2.581 284 I HA -0.027 4.143 4.170 -0.000 0.000 0.285 284 I C -1.031 175.115 176.117 0.049 0.000 1.129 284 I CA -1.114 60.245 61.300 0.098 0.000 1.397 284 I CB -0.237 37.792 38.000 0.049 0.000 1.399 284 I HN -0.287 nan 8.210 nan 0.000 0.537 285 P HA -0.195 nan 4.420 nan 0.000 0.216 285 P C 1.226 178.519 177.300 -0.011 0.000 1.154 285 P CA 1.506 64.606 63.100 -0.000 0.000 0.865 285 P CB 0.345 32.038 31.700 -0.012 0.000 0.789 286 E N -0.858 119.335 120.200 -0.011 0.000 2.204 286 E HA -0.071 4.279 4.350 -0.000 0.000 0.194 286 E C 1.800 178.384 176.600 -0.026 0.000 0.989 286 E CA 0.644 57.030 56.400 -0.023 0.000 0.824 286 E CB -0.784 28.901 29.700 -0.024 0.000 0.756 286 E HN 0.236 nan 8.360 nan 0.000 0.477 287 L N 0.643 121.855 121.223 -0.017 0.000 2.610 287 L HA 0.032 4.372 4.340 -0.000 0.000 0.232 287 L C 1.170 178.029 176.870 -0.019 0.000 1.149 287 L CA 0.332 55.159 54.840 -0.022 0.000 0.872 287 L CB 0.135 42.181 42.059 -0.021 0.000 0.992 287 L HN 0.113 nan 8.230 nan 0.000 0.447 288 N N -1.288 117.402 118.700 -0.017 0.000 2.160 288 N HA 0.049 4.789 4.740 -0.000 0.000 0.226 288 N C 0.299 175.796 175.510 -0.022 0.000 1.256 288 N CA 0.077 53.118 53.050 -0.015 0.000 0.890 288 N CB 0.862 39.343 38.487 -0.010 0.000 1.116 288 N HN 0.120 nan 8.380 nan 0.000 0.517 289 S N 0.632 116.311 115.700 -0.034 0.000 2.584 289 S HA 0.435 4.905 4.470 -0.000 0.000 0.273 289 S C 0.324 174.873 174.600 -0.085 0.000 1.311 289 S CA -0.505 57.660 58.200 -0.059 0.000 1.034 289 S CB 1.568 64.726 63.200 -0.070 0.000 0.939 289 S HN 0.003 nan 8.310 nan 0.000 0.513 290 V N 0.536 120.368 119.914 -0.136 0.000 2.667 290 V HA 0.772 4.892 4.120 -0.000 0.000 0.308 290 V C -0.690 175.197 176.094 -0.344 0.000 1.048 290 V CA -0.599 61.515 62.300 -0.309 0.000 0.928 290 V CB 1.414 33.031 31.823 -0.344 0.000 1.004 290 V HN 1.057 nan 8.190 nan 0.000 0.444 291 E N 2.373 122.284 120.200 -0.482 0.000 2.274 291 E HA 0.410 4.760 4.350 -0.000 0.000 0.269 291 E C -1.460 174.884 176.600 -0.427 0.000 0.891 291 E CA -0.685 55.495 56.400 -0.367 0.000 0.784 291 E CB 1.269 30.839 29.700 -0.216 0.000 1.225 291 E HN 0.924 nan 8.360 nan 0.000 0.412 292 H N 2.589 121.597 119.070 -0.102 0.000 2.908 292 H HA 0.225 4.781 4.556 -0.000 0.000 0.269 292 H C 0.380 175.711 175.328 0.005 0.000 1.303 292 H CA -0.106 55.918 56.048 -0.041 0.000 1.341 292 H CB 0.595 30.358 29.762 0.002 0.000 1.519 292 H HN 0.573 nan 8.280 nan 0.000 0.505 293 G N 2.355 111.200 108.800 0.076 0.000 2.580 293 G HA2 0.159 4.119 3.960 -0.000 0.000 0.278 293 G HA3 0.159 4.119 3.960 -0.000 0.000 0.278 293 G C -1.563 173.454 174.900 0.196 0.000 1.212 293 G CA -1.302 43.849 45.100 0.084 0.000 0.939 293 G HN 0.283 nan 8.290 nan 0.000 0.513 294 P HA 0.196 nan 4.420 nan 0.000 0.249 294 P C -0.200 177.235 177.300 0.226 0.000 1.241 294 P CA 0.769 63.950 63.100 0.135 0.000 0.781 294 P CB 0.686 32.426 31.700 0.066 0.000 1.088 295 D N -2.464 118.192 120.400 0.426 0.000 2.107 295 D HA 0.256 4.896 4.640 -0.000 0.000 0.458 295 D C 0.524 176.984 176.300 0.267 0.000 0.958 295 D CA 0.675 54.886 54.000 0.352 0.000 0.966 295 D CB 0.911 41.800 40.800 0.148 0.000 1.526 295 D HN 0.101 nan 8.370 nan 0.000 0.505 296 G N -0.090 108.703 108.800 -0.010 0.000 2.316 296 G HA2 0.337 4.297 3.960 -0.000 0.000 0.296 296 G HA3 0.337 4.297 3.960 -0.000 0.000 0.296 296 G C -1.665 173.046 174.900 -0.315 0.000 1.399 296 G CA -0.873 43.949 45.100 -0.463 0.000 0.833 296 G HN 0.006 nan 8.290 nan 0.000 0.565 297 I N 0.770 121.143 120.570 -0.328 0.000 2.385 297 I HA 0.539 4.709 4.170 -0.000 0.000 0.294 297 I C 0.299 176.124 176.117 -0.486 0.000 0.988 297 I CA -0.552 60.517 61.300 -0.385 0.000 1.265 297 I CB 1.915 39.715 38.000 -0.332 0.000 1.388 297 I HN 0.339 nan 8.210 nan 0.000 0.480 298 S N 5.946 121.288 115.700 -0.597 0.000 2.498 298 S HA 0.609 5.079 4.470 -0.000 0.000 0.317 298 S C -0.935 173.341 174.600 -0.540 0.000 1.090 298 S CA -0.438 57.515 58.200 -0.412 0.000 1.089 298 S CB 0.316 63.361 63.200 -0.259 0.000 0.997 298 S HN 0.301 nan 8.310 nan 0.000 0.470 299 F N 2.456 122.295 119.950 -0.185 0.000 2.449 299 F HA 0.476 5.003 4.527 -0.000 0.000 0.342 299 F C 1.213 176.924 175.800 -0.148 0.000 1.127 299 F CA -0.776 57.123 58.000 -0.169 0.000 0.975 299 F CB 1.417 40.312 39.000 -0.174 0.000 1.146 299 F HN 0.665 nan 8.300 nan 0.000 0.444 300 G N 1.302 110.127 108.800 0.042 0.000 2.368 300 G HA2 0.210 4.170 3.960 -0.000 0.000 0.233 300 G HA3 0.210 4.170 3.960 -0.000 0.000 0.233 300 G C 0.881 175.769 174.900 -0.019 0.000 1.267 300 G CA 0.130 45.227 45.100 -0.006 0.000 0.873 300 G HN 0.966 nan 8.290 nan 0.000 0.539 301 A N 2.277 125.070 122.820 -0.045 0.000 2.067 301 A HA 0.195 4.515 4.320 -0.000 0.000 0.219 301 A C 2.653 180.198 177.584 -0.064 0.000 1.158 301 A CA 2.102 54.101 52.037 -0.064 0.000 0.661 301 A CB -0.312 18.647 19.000 -0.068 0.000 0.801 301 A HN 1.334 nan 8.150 nan 0.000 0.452 302 A N -0.789 122.001 122.820 -0.050 0.000 2.014 302 A HA 0.044 4.364 4.320 -0.000 0.000 0.218 302 A C 1.250 178.797 177.584 -0.063 0.000 1.163 302 A CA 0.728 52.736 52.037 -0.049 0.000 0.652 302 A CB -1.132 17.851 19.000 -0.028 0.000 0.808 302 A HN 0.538 nan 8.150 nan 0.000 0.449 303 C N 1.329 120.590 119.300 -0.064 0.000 2.563 303 C HA 0.303 4.763 4.460 -0.000 0.000 0.411 303 C C -2.164 172.744 174.990 -0.136 0.000 1.386 303 C CA -0.884 58.082 59.018 -0.086 0.000 1.703 303 C CB -0.473 27.228 27.740 -0.066 0.000 2.596 303 C HN 0.378 nan 8.230 nan 0.000 0.605 304 P HA 0.197 nan 4.420 nan 0.000 0.278 304 P C 0.861 178.021 177.300 -0.233 0.000 1.238 304 P CA -0.286 62.702 63.100 -0.187 0.000 0.794 304 P CB 0.407 31.984 31.700 -0.205 0.000 0.955 305 L N 1.595 122.659 121.223 -0.266 0.000 2.040 305 L HA -0.376 3.964 4.340 -0.000 0.000 0.228 305 L C 2.492 179.182 176.870 -0.301 0.000 1.092 305 L CA 2.803 57.437 54.840 -0.344 0.000 0.805 305 L CB -1.482 40.310 42.059 -0.445 0.000 0.905 305 L HN 0.515 nan 8.230 nan 0.000 0.443 306 S N -0.101 115.453 115.700 -0.243 0.000 2.413 306 S HA -0.267 4.203 4.470 -0.000 0.000 0.237 306 S C 1.788 176.279 174.600 -0.183 0.000 1.044 306 S CA 1.955 60.036 58.200 -0.198 0.000 1.024 306 S CB -0.821 62.279 63.200 -0.167 0.000 0.829 306 S HN 0.665 nan 8.310 nan 0.000 0.475 307 I N -0.954 119.500 120.570 -0.193 0.000 3.339 307 I HA 0.137 4.307 4.170 -0.000 0.000 0.285 307 I C 1.955 177.979 176.117 -0.155 0.000 1.201 307 I CA 0.345 61.560 61.300 -0.140 0.000 1.434 307 I CB -0.259 37.682 38.000 -0.097 0.000 1.152 307 I HN 0.164 nan 8.210 nan 0.000 0.443 308 V N 2.320 122.025 119.914 -0.349 0.000 2.278 308 V HA -0.353 3.767 4.120 -0.000 0.000 0.251 308 V C 2.632 178.539 176.094 -0.312 0.000 1.062 308 V CA 2.746 64.666 62.300 -0.634 0.000 1.038 308 V CB -0.893 30.437 31.823 -0.822 0.000 0.646 308 V HN 0.595 nan 8.190 nan 0.000 0.447 309 E N 0.338 120.383 120.200 -0.257 0.000 2.005 309 E HA -0.328 4.022 4.350 -0.000 0.000 0.198 309 E C 2.327 178.869 176.600 -0.096 0.000 1.010 309 E CA 1.990 58.279 56.400 -0.184 0.000 0.825 309 E CB -0.314 29.269 29.700 -0.194 0.000 0.769 309 E HN 0.586 nan 8.360 nan 0.000 0.456 310 K N -0.279 120.074 120.400 -0.079 0.000 2.163 310 K HA -0.237 4.083 4.320 -0.000 0.000 0.210 310 K C 1.804 178.419 176.600 0.026 0.000 1.048 310 K CA 2.199 58.468 56.287 -0.031 0.000 0.928 310 K CB -0.270 32.209 32.500 -0.035 0.000 0.716 310 K HN 0.168 nan 8.250 nan 0.000 0.459 311 T N 1.461 116.057 114.554 0.069 0.000 2.612 311 T HA -0.102 4.248 4.350 -0.000 0.000 0.251 311 T C 1.753 176.568 174.700 0.191 0.000 1.090 311 T CA 1.164 63.367 62.100 0.172 0.000 1.198 311 T CB -0.426 68.642 68.868 0.334 0.000 0.878 311 T HN 0.069 nan 8.240 nan 0.000 0.401 312 L N 1.271 122.629 121.223 0.226 0.000 2.077 312 L HA -0.236 4.104 4.340 -0.000 0.000 0.231 312 L C 2.717 179.680 176.870 0.154 0.000 1.100 312 L CA 1.636 56.621 54.840 0.242 0.000 0.819 312 L CB -1.537 40.591 42.059 0.114 0.000 0.913 312 L HN 0.193 nan 8.230 nan 0.000 0.446 313 V N 0.004 119.957 119.914 0.064 0.000 2.370 313 V HA -0.313 3.807 4.120 -0.000 0.000 0.252 313 V C 2.098 178.213 176.094 0.036 0.000 1.068 313 V CA 2.125 64.440 62.300 0.025 0.000 1.061 313 V CB -1.064 30.752 31.823 -0.012 0.000 0.656 313 V HN 0.747 nan 8.190 nan 0.000 0.455 314 D N 0.534 120.965 120.400 0.052 0.000 2.431 314 D HA 0.101 4.741 4.640 -0.000 0.000 0.235 314 D C 1.954 178.280 176.300 0.043 0.000 0.980 314 D CA 0.979 55.001 54.000 0.036 0.000 0.912 314 D CB -0.401 40.413 40.800 0.022 0.000 1.056 314 D HN 0.295 nan 8.370 nan 0.000 0.494 315 A N 0.724 123.597 122.820 0.088 0.000 2.076 315 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 315 A C 2.382 179.989 177.584 0.037 0.000 1.160 315 A CA 1.454 53.544 52.037 0.089 0.000 0.653 315 A CB -0.976 18.150 19.000 0.210 0.000 0.801 315 A HN 0.222 nan 8.150 nan 0.000 0.455 316 V N -0.761 119.186 119.914 0.055 0.000 2.427 316 V HA -0.114 4.006 4.120 -0.000 0.000 0.248 316 V C 2.609 178.690 176.094 -0.022 0.000 1.051 316 V CA 2.064 64.360 62.300 -0.007 0.000 1.048 316 V CB -0.301 31.538 31.823 0.026 0.000 0.666 316 V HN 0.593 nan 8.190 nan 0.000 0.456 317 A N -1.794 121.021 122.820 -0.008 0.000 2.238 317 A HA 0.130 4.450 4.320 -0.000 0.000 0.210 317 A C 1.693 179.264 177.584 -0.021 0.000 1.179 317 A CA 0.284 52.313 52.037 -0.013 0.000 0.827 317 A CB -0.076 18.920 19.000 -0.007 0.000 0.856 317 A HN 0.263 nan 8.150 nan 0.000 0.488 318 K N 0.099 120.484 120.400 -0.025 0.000 2.684 318 K HA 0.538 4.858 4.320 -0.000 0.000 0.215 318 K C -1.217 175.351 176.600 -0.052 0.000 1.073 318 K CA 0.092 56.358 56.287 -0.036 0.000 1.197 318 K CB -0.632 31.846 32.500 -0.037 0.000 0.955 318 K HN 0.434 nan 8.250 nan 0.000 0.473 319 L N 0.911 122.099 121.223 -0.058 0.000 2.676 319 L HA 0.259 4.599 4.340 -0.000 0.000 0.262 319 L C -2.501 174.320 176.870 -0.082 0.000 0.932 319 L CA -1.555 53.236 54.840 -0.081 0.000 0.932 319 L CB 2.330 44.329 42.059 -0.100 0.000 1.355 319 L HN -0.054 nan 8.230 nan 0.000 0.421 320 P HA -0.101 nan 4.420 nan 0.000 0.248 320 P C 0.396 177.656 177.300 -0.065 0.000 1.127 320 P CA 0.387 63.444 63.100 -0.071 0.000 0.801 320 P CB 0.468 32.115 31.700 -0.088 0.000 0.732 321 A N 3.302 126.098 122.820 -0.040 0.000 2.265 321 A HA -0.177 4.143 4.320 -0.000 0.000 0.203 321 A C 1.868 179.451 177.584 -0.001 0.000 1.285 321 A CA 1.125 53.147 52.037 -0.024 0.000 0.839 321 A CB -0.628 18.368 19.000 -0.007 0.000 0.758 321 A HN 0.472 nan 8.150 nan 0.000 0.502 322 Q N -0.491 119.299 119.800 -0.016 0.000 2.391 322 Q HA 0.177 4.517 4.340 -0.000 0.000 0.243 322 Q C 1.596 177.580 176.000 -0.027 0.000 0.874 322 Q CA 1.120 56.922 55.803 -0.001 0.000 0.950 322 Q CB 0.010 28.750 28.738 0.003 0.000 1.103 322 Q HN 0.568 nan 8.270 nan 0.000 0.544 323 K N -0.315 120.049 120.400 -0.059 0.000 2.217 323 K HA -0.005 4.315 4.320 -0.000 0.000 0.202 323 K C 0.993 177.554 176.600 -0.065 0.000 1.051 323 K CA 1.457 57.721 56.287 -0.038 0.000 0.952 323 K CB 0.162 32.588 32.500 -0.124 0.000 0.736 323 K HN 0.323 nan 8.250 nan 0.000 0.453 324 T N -0.939 113.533 114.554 -0.136 0.000 3.380 324 T HA 0.121 4.471 4.350 -0.000 0.000 0.250 324 T C 1.059 175.729 174.700 -0.050 0.000 1.082 324 T CA 0.012 61.968 62.100 -0.241 0.000 0.968 324 T CB 0.157 68.906 68.868 -0.197 0.000 1.027 324 T HN 0.043 nan 8.240 nan 0.000 0.575 325 E N 0.819 121.049 120.200 0.050 0.000 2.216 325 E HA -0.015 4.335 4.350 -0.000 0.000 0.192 325 E C 1.989 178.646 176.600 0.094 0.000 0.988 325 E CA 0.663 57.131 56.400 0.114 0.000 0.834 325 E CB 0.167 29.967 29.700 0.167 0.000 0.772 325 E HN 0.513 nan 8.360 nan 0.000 0.479 326 V N 0.491 120.509 119.914 0.174 0.000 2.535 326 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 326 V C 1.960 178.045 176.094 -0.016 0.000 1.045 326 V CA 0.991 63.279 62.300 -0.020 0.000 1.058 326 V CB -0.560 31.363 31.823 0.166 0.000 0.689 326 V HN 0.075 nan 8.190 nan 0.000 0.461 327 F N 1.012 120.870 119.950 -0.153 0.000 2.146 327 F HA -0.051 4.476 4.527 -0.000 0.000 0.298 327 F C 2.526 178.216 175.800 -0.183 0.000 1.096 327 F CA 1.122 59.036 58.000 -0.142 0.000 1.275 327 F CB -0.877 38.088 39.000 -0.058 0.000 1.008 327 F HN 0.003 nan 8.300 nan 0.000 0.480 328 R N 0.153 120.691 120.500 0.064 0.000 2.249 328 R HA -0.096 4.244 4.340 -0.000 0.000 0.230 328 R C 2.371 178.573 176.300 -0.162 0.000 1.121 328 R CA 1.048 57.125 56.100 -0.039 0.000 0.997 328 R CB -0.891 29.397 30.300 -0.020 0.000 0.867 328 R HN 0.385 nan 8.270 nan 0.000 0.465 329 G N -1.010 107.594 108.800 -0.326 0.000 2.417 329 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.212 329 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.212 329 G C 1.356 176.000 174.900 -0.426 0.000 1.187 329 G CA 0.431 45.229 45.100 -0.503 0.000 0.804 329 G HN 0.137 nan 8.290 nan 0.000 0.534 330 V N 1.394 121.044 119.914 -0.440 0.000 2.233 330 V HA -0.263 3.857 4.120 -0.000 0.000 0.252 330 V C 2.968 178.902 176.094 -0.266 0.000 1.063 330 V CA 2.122 64.189 62.300 -0.387 0.000 1.032 330 V CB -0.676 30.908 31.823 -0.398 0.000 0.645 330 V HN 0.313 nan 8.190 nan 0.000 0.446 331 L N -0.555 120.549 121.223 -0.198 0.000 2.131 331 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 331 L C 2.555 179.340 176.870 -0.142 0.000 1.092 331 L CA 1.561 56.307 54.840 -0.156 0.000 0.759 331 L CB -0.759 41.238 42.059 -0.103 0.000 0.903 331 L HN 0.272 nan 8.230 nan 0.000 0.435 332 E N -0.116 120.009 120.200 -0.126 0.000 2.160 332 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 332 E C 2.185 178.785 176.600 0.000 0.000 0.991 332 E CA 0.980 57.345 56.400 -0.057 0.000 0.810 332 E CB 0.031 29.685 29.700 -0.077 0.000 0.742 332 E HN 0.547 nan 8.360 nan 0.000 0.466 333 Q N -0.256 119.504 119.800 -0.068 0.000 2.096 333 Q HA 0.029 4.369 4.340 -0.000 0.000 0.197 333 Q C 2.377 178.400 176.000 0.039 0.000 0.964 333 Q CA 0.460 56.271 55.803 0.013 0.000 0.838 333 Q CB -0.151 28.563 28.738 -0.041 0.000 0.906 333 Q HN 0.336 nan 8.270 nan 0.000 0.444 334 L N 1.805 122.982 121.223 -0.076 0.000 2.633 334 L HA -0.062 4.278 4.340 -0.000 0.000 0.235 334 L C 2.339 179.114 176.870 -0.158 0.000 1.163 334 L CA 0.484 55.265 54.840 -0.099 0.000 0.859 334 L CB -0.360 41.566 42.059 -0.222 0.000 0.973 334 L HN 0.243 nan 8.230 nan 0.000 0.451 335 R N -0.780 119.543 120.500 -0.295 0.000 2.119 335 R HA -0.114 4.226 4.340 -0.000 0.000 0.222 335 R C 1.262 177.183 176.300 -0.630 0.000 1.088 335 R CA 0.980 56.731 56.100 -0.582 0.000 0.984 335 R CB -0.475 29.304 30.300 -0.869 0.000 0.884 335 R HN 0.360 nan 8.270 nan 0.000 0.447 336 W N -0.051 121.280 121.300 0.051 0.000 3.220 336 W HA 0.276 4.936 4.660 -0.000 0.000 0.328 336 W C -0.034 176.516 176.519 0.051 0.000 1.205 336 W CA -1.158 56.212 57.345 0.040 0.000 1.773 336 W CB 0.216 29.689 29.460 0.022 0.000 1.086 336 W HN -0.157 nan 8.180 nan 0.000 0.622 337 F N 2.074 122.049 119.950 0.041 0.000 2.552 337 F HA 0.337 4.864 4.527 -0.000 0.000 0.342 337 F C 1.192 176.976 175.800 -0.027 0.000 1.257 337 F CA 0.382 58.379 58.000 -0.005 0.000 1.058 337 F CB -0.210 38.756 39.000 -0.056 0.000 1.288 337 F HN 0.122 nan 8.300 nan 0.000 0.627 338 A N 2.727 125.638 122.820 0.151 0.000 3.746 338 A HA -0.035 4.285 4.320 -0.000 0.000 0.242 338 A C 1.448 179.111 177.584 0.132 0.000 0.736 338 A CA 1.020 53.143 52.037 0.143 0.000 1.370 338 A CB -2.369 16.798 19.000 0.278 0.000 1.130 338 A HN 2.371 nan 8.150 nan 0.000 0.696 339 G N -2.026 106.834 108.800 0.100 0.000 2.712 339 G HA2 0.034 3.994 3.960 -0.000 0.000 0.686 339 G HA3 0.034 3.994 3.960 -0.000 0.000 0.686 339 G C 0.037 174.963 174.900 0.043 0.000 1.321 339 G CA 0.694 45.820 45.100 0.044 0.000 0.813 339 G HN 0.923 nan 8.290 nan 0.000 0.599 340 K N 0.216 120.623 120.400 0.012 0.000 2.211 340 K HA -0.100 4.220 4.320 -0.000 0.000 0.203 340 K C 2.584 179.207 176.600 0.039 0.000 1.050 340 K CA 1.855 58.142 56.287 0.000 0.000 0.945 340 K CB -0.032 32.448 32.500 -0.033 0.000 0.732 340 K HN 0.556 nan 8.250 nan 0.000 0.451 341 Q N -0.270 119.573 119.800 0.071 0.000 2.291 341 Q HA -0.078 4.262 4.340 -0.000 0.000 0.206 341 Q C 1.578 177.636 176.000 0.096 0.000 0.976 341 Q CA 0.859 56.723 55.803 0.101 0.000 0.875 341 Q CB 0.316 29.117 28.738 0.105 0.000 0.927 341 Q HN 0.034 nan 8.270 nan 0.000 0.450 342 V N -1.079 118.883 119.914 0.079 0.000 3.539 342 V HA 0.034 4.154 4.120 -0.000 0.000 0.262 342 V C 1.299 177.423 176.094 0.050 0.000 1.381 342 V CA 0.386 62.736 62.300 0.083 0.000 1.060 342 V CB 0.329 32.222 31.823 0.118 0.000 0.842 342 V HN 0.135 nan 8.190 nan 0.000 0.445 343 K N 0.229 120.640 120.400 0.018 0.000 2.305 343 K HA 0.052 4.372 4.320 -0.000 0.000 0.199 343 K C 2.001 178.535 176.600 -0.111 0.000 1.047 343 K CA 1.035 57.278 56.287 -0.074 0.000 0.976 343 K CB 0.102 32.539 32.500 -0.105 0.000 0.765 343 K HN 0.337 nan 8.250 nan 0.000 0.474 344 S N 0.831 116.489 115.700 -0.069 0.000 2.470 344 S HA -0.055 4.415 4.470 -0.000 0.000 0.225 344 S C 1.893 176.380 174.600 -0.187 0.000 1.006 344 S CA 0.883 59.002 58.200 -0.135 0.000 0.934 344 S CB 0.188 63.375 63.200 -0.021 0.000 0.778 344 S HN 0.214 nan 8.310 nan 0.000 0.517 345 V N -1.629 118.246 119.914 -0.065 0.000 3.644 345 V HA 0.573 4.693 4.120 -0.000 0.000 0.267 345 V C 0.656 176.722 176.094 -0.047 0.000 1.277 345 V CA -0.077 62.193 62.300 -0.050 0.000 1.096 345 V CB -0.723 31.118 31.823 0.030 0.000 0.828 345 V HN 0.321 nan 8.190 nan 0.000 0.446 346 A N 1.420 124.209 122.820 -0.053 0.000 2.303 346 A HA 0.790 5.110 4.320 -0.000 0.000 0.317 346 A C 0.353 177.880 177.584 -0.095 0.000 1.149 346 A CA 0.214 52.226 52.037 -0.041 0.000 0.822 346 A CB 0.861 19.861 19.000 -0.000 0.000 1.131 346 A HN 0.701 nan 8.150 nan 0.000 0.493 347 S N 0.922 116.575 115.700 -0.080 0.000 2.509 347 S HA 0.460 4.930 4.470 -0.000 0.000 0.297 347 S C 1.111 175.645 174.600 -0.110 0.000 1.118 347 S CA -0.194 57.944 58.200 -0.103 0.000 1.074 347 S CB 1.089 64.243 63.200 -0.076 0.000 1.038 347 S HN 1.228 nan 8.310 nan 0.000 0.498 348 V N 1.805 121.631 119.914 -0.147 0.000 2.231 348 V HA -0.088 4.032 4.120 -0.000 0.000 0.248 348 V C 2.660 178.701 176.094 -0.089 0.000 1.054 348 V CA 2.128 64.352 62.300 -0.126 0.000 1.015 348 V CB -2.357 29.363 31.823 -0.171 0.000 0.638 348 V HN 1.028 nan 8.190 nan 0.000 0.444 349 G N 1.216 109.957 108.800 -0.099 0.000 2.843 349 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.232 349 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.232 349 G C 1.654 176.531 174.900 -0.038 0.000 1.186 349 G CA 2.307 47.364 45.100 -0.073 0.000 0.766 349 G HN 0.915 nan 8.290 nan 0.000 0.647 350 G N 0.861 109.641 108.800 -0.034 0.000 2.556 350 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.220 350 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.220 350 G C 1.737 176.655 174.900 0.031 0.000 1.156 350 G CA 1.685 46.779 45.100 -0.010 0.000 0.766 350 G HN 0.613 nan 8.290 nan 0.000 0.583 351 N N -0.094 118.636 118.700 0.050 0.000 2.171 351 N HA 0.044 4.784 4.740 -0.000 0.000 0.184 351 N C 2.193 177.783 175.510 0.133 0.000 1.021 351 N CA 0.751 53.867 53.050 0.110 0.000 0.854 351 N CB -0.163 38.414 38.487 0.149 0.000 0.994 351 N HN 0.378 nan 8.380 nan 0.000 0.426 352 I N 0.057 120.697 120.570 0.116 0.000 2.179 352 I HA -0.190 3.980 4.170 -0.000 0.000 0.242 352 I C 1.560 177.822 176.117 0.241 0.000 1.088 352 I CA 1.124 62.518 61.300 0.156 0.000 1.357 352 I CB -0.033 37.975 38.000 0.014 0.000 1.051 352 I HN 0.196 nan 8.210 nan 0.000 0.409 353 I N -0.983 119.677 120.570 0.150 0.000 3.603 353 I HA -0.107 4.063 4.170 -0.000 0.000 0.297 353 I C 1.965 178.150 176.117 0.113 0.000 1.269 353 I CA 0.353 61.742 61.300 0.148 0.000 1.361 353 I CB -0.094 37.943 38.000 0.061 0.000 1.063 353 I HN 0.070 nan 8.210 nan 0.000 0.448 354 T N 1.401 116.010 114.554 0.091 0.000 3.139 354 T HA 0.020 4.370 4.350 -0.000 0.000 0.267 354 T C 1.014 175.731 174.700 0.028 0.000 1.164 354 T CA 0.338 62.464 62.100 0.043 0.000 1.075 354 T CB -0.381 68.512 68.868 0.041 0.000 0.904 354 T HN 0.347 nan 8.240 nan 0.000 0.540 355 A N 1.614 124.484 122.820 0.083 0.000 2.545 355 A HA 0.447 4.767 4.320 -0.000 0.000 0.297 355 A C 0.792 178.390 177.584 0.024 0.000 1.340 355 A CA -0.192 51.913 52.037 0.115 0.000 1.016 355 A CB -0.223 18.976 19.000 0.331 0.000 1.122 355 A HN 0.341 nan 8.150 nan 0.000 0.537 356 S N 3.337 119.044 115.700 0.012 0.000 2.573 356 S HA 0.259 4.729 4.470 -0.000 0.000 0.277 356 S C -0.895 173.705 174.600 -0.001 0.000 1.346 356 S CA -0.922 57.287 58.200 0.015 0.000 1.034 356 S CB 0.423 63.636 63.200 0.021 0.000 0.879 356 S HN 0.520 nan 8.310 nan 0.000 0.528 357 P HA -0.114 nan 4.420 nan 0.000 0.216 357 P C 0.801 178.093 177.300 -0.014 0.000 1.153 357 P CA 1.217 64.332 63.100 0.025 0.000 0.858 357 P CB -0.325 31.417 31.700 0.069 0.000 0.789 358 I N -3.891 116.676 120.570 -0.006 0.000 3.864 358 I HA 0.227 4.397 4.170 -0.000 0.000 0.326 358 I C 0.535 176.633 176.117 -0.031 0.000 1.444 358 I CA -1.144 60.143 61.300 -0.020 0.000 1.195 358 I CB -1.321 36.663 38.000 -0.026 0.000 1.124 358 I HN -0.233 nan 8.210 nan 0.000 0.407 359 S N 0.841 116.525 115.700 -0.026 0.000 2.549 359 S HA 0.141 4.611 4.470 -0.000 0.000 0.279 359 S C 0.721 175.319 174.600 -0.005 0.000 1.321 359 S CA -0.223 57.977 58.200 0.001 0.000 1.054 359 S CB 0.459 63.676 63.200 0.028 0.000 0.899 359 S HN 0.453 nan 8.310 nan 0.000 0.497 360 D N 3.557 123.969 120.400 0.021 0.000 2.360 360 D HA 0.102 4.742 4.640 -0.000 0.000 0.210 360 D C 1.464 177.740 176.300 -0.040 0.000 1.047 360 D CA 0.283 54.281 54.000 -0.004 0.000 0.854 360 D CB 0.233 41.045 40.800 0.021 0.000 0.936 360 D HN 0.504 nan 8.370 nan 0.000 0.514 361 L N 0.500 121.721 121.223 -0.004 0.000 2.307 361 L HA 0.010 4.350 4.340 -0.000 0.000 0.211 361 L C 1.969 178.748 176.870 -0.151 0.000 1.099 361 L CA 0.473 55.199 54.840 -0.191 0.000 0.816 361 L CB -0.124 41.942 42.059 0.012 0.000 0.952 361 L HN -0.105 nan 8.230 nan 0.000 0.455 362 N N 0.386 119.114 118.700 0.047 0.000 2.109 362 N HA -0.066 4.674 4.740 -0.000 0.000 0.188 362 N C -0.759 174.779 175.510 0.047 0.000 1.034 362 N CA 1.015 54.145 53.050 0.133 0.000 0.846 362 N CB -1.376 37.125 38.487 0.023 0.000 1.010 362 N HN 0.038 nan 8.380 nan 0.000 0.425 363 P HA -0.161 nan 4.420 nan 0.000 0.219 363 P C 1.641 178.923 177.300 -0.031 0.000 1.158 363 P CA 1.109 64.182 63.100 -0.044 0.000 0.895 363 P CB 0.071 31.715 31.700 -0.093 0.000 0.792 364 V N -2.250 117.598 119.914 -0.110 0.000 2.407 364 V HA -0.176 3.944 4.120 -0.000 0.000 0.245 364 V C 2.143 178.221 176.094 -0.026 0.000 1.041 364 V CA 1.500 63.743 62.300 -0.094 0.000 1.040 364 V CB -1.277 30.330 31.823 -0.359 0.000 0.671 364 V HN 0.028 nan 8.190 nan 0.000 0.455 365 F N -0.583 119.367 119.950 0.000 0.000 2.095 365 F HA -0.291 4.236 4.527 -0.000 0.000 0.298 365 F C 2.529 178.332 175.800 0.004 0.000 1.104 365 F CA 2.201 60.191 58.000 -0.017 0.000 1.232 365 F CB -0.337 38.629 39.000 -0.057 0.000 0.987 365 F HN 0.090 nan 8.300 nan 0.000 0.475 366 M N 0.469 120.193 119.600 0.207 0.000 2.059 366 M HA -0.214 4.266 4.480 -0.000 0.000 0.259 366 M C 2.508 178.861 176.300 0.087 0.000 1.072 366 M CA 2.106 57.488 55.300 0.136 0.000 1.117 366 M CB -0.376 32.319 32.600 0.158 0.000 1.320 366 M HN 0.150 nan 8.290 nan 0.000 0.408 367 A N -0.585 122.265 122.820 0.051 0.000 1.927 367 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 367 A C 2.216 179.761 177.584 -0.065 0.000 1.185 367 A CA 2.448 54.450 52.037 -0.058 0.000 0.639 367 A CB -1.330 17.569 19.000 -0.169 0.000 0.820 367 A HN 0.643 nan 8.150 nan 0.000 0.451 368 S N -1.164 114.607 115.700 0.118 0.000 2.419 368 S HA 0.182 4.652 4.470 -0.000 0.000 0.233 368 S C 1.214 175.874 174.600 0.100 0.000 1.016 368 S CA 1.380 59.710 58.200 0.217 0.000 0.974 368 S CB -0.861 62.528 63.200 0.314 0.000 0.786 368 S HN 2.010 nan 8.310 nan 0.000 0.492 369 G N 1.123 109.965 108.800 0.069 0.000 2.392 369 G HA2 0.041 4.001 3.960 -0.000 0.000 0.256 369 G HA3 0.041 4.001 3.960 -0.000 0.000 0.256 369 G C -0.087 174.838 174.900 0.042 0.000 0.920 369 G CA 0.155 45.279 45.100 0.041 0.000 1.316 369 G HN 0.856 nan 8.290 nan 0.000 0.416 370 A N 1.896 124.734 122.820 0.030 0.000 2.326 370 A HA 0.967 5.287 4.320 -0.000 0.000 0.303 370 A C 0.576 178.110 177.584 -0.083 0.000 1.164 370 A CA -0.055 51.982 52.037 0.000 0.000 0.929 370 A CB 1.202 20.229 19.000 0.046 0.000 1.363 370 A HN 1.172 nan 8.150 nan 0.000 0.498 371 K N 1.065 121.394 120.400 -0.119 0.000 2.621 371 K HA 0.471 4.791 4.320 -0.000 0.000 0.233 371 K C -1.275 175.238 176.600 -0.146 0.000 0.972 371 K CA -0.303 55.914 56.287 -0.116 0.000 0.988 371 K CB 0.299 32.756 32.500 -0.072 0.000 1.187 371 K HN 0.621 nan 8.250 nan 0.000 0.471 372 L N 2.324 123.449 121.223 -0.164 0.000 2.418 372 L HA 0.423 4.763 4.340 -0.000 0.000 0.265 372 L C -0.069 176.752 176.870 -0.082 0.000 1.143 372 L CA -0.648 54.105 54.840 -0.144 0.000 0.809 372 L CB 1.329 43.297 42.059 -0.151 0.000 1.124 372 L HN 0.548 nan 8.230 nan 0.000 0.456 373 T N 3.811 118.323 114.554 -0.071 0.000 3.064 373 T HA 0.448 4.798 4.350 -0.000 0.000 0.367 373 T C -0.021 174.655 174.700 -0.041 0.000 1.202 373 T CA -0.453 61.616 62.100 -0.052 0.000 1.133 373 T CB 0.466 69.300 68.868 -0.057 0.000 1.074 373 T HN 0.269 nan 8.240 nan 0.000 0.519 374 L N 3.697 124.903 121.223 -0.028 0.000 2.350 374 L HA 0.809 5.149 4.340 -0.000 0.000 0.275 374 L C 0.442 177.294 176.870 -0.030 0.000 1.099 374 L CA -0.943 53.882 54.840 -0.025 0.000 0.808 374 L CB 0.993 43.042 42.059 -0.015 0.000 1.149 374 L HN 0.371 nan 8.230 nan 0.000 0.442 375 V N -0.129 119.765 119.914 -0.033 0.000 3.078 375 V HA 0.902 5.022 4.120 -0.000 0.000 0.311 375 V C -0.545 175.529 176.094 -0.034 0.000 1.138 375 V CA -0.412 61.868 62.300 -0.033 0.000 1.007 375 V CB 2.077 33.880 31.823 -0.032 0.000 1.045 375 V HN 0.868 nan 8.190 nan 0.000 0.432 376 S N 1.478 117.159 115.700 -0.031 0.000 2.625 376 S HA 0.661 5.131 4.470 -0.000 0.000 0.271 376 S C -0.689 173.896 174.600 -0.025 0.000 1.161 376 S CA -0.676 57.506 58.200 -0.029 0.000 0.820 376 S CB 1.970 65.152 63.200 -0.030 0.000 1.137 376 S HN 1.509 nan 8.310 nan 0.000 0.470 377 R N 1.207 121.694 120.500 -0.022 0.000 2.296 377 R HA 0.552 4.892 4.340 -0.000 0.000 0.323 377 R C 0.847 177.136 176.300 -0.018 0.000 1.067 377 R CA 0.687 56.775 56.100 -0.019 0.000 0.946 377 R CB -0.378 29.913 30.300 -0.016 0.000 0.991 377 R HN 1.425 nan 8.270 nan 0.000 0.448 378 G N 2.470 111.260 108.800 -0.017 0.000 2.272 378 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.280 378 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.280 378 G C -0.472 174.417 174.900 -0.019 0.000 1.067 378 G CA 0.348 45.438 45.100 -0.017 0.000 0.902 378 G HN 0.882 nan 8.290 nan 0.000 0.500 379 T N -2.295 112.246 114.554 -0.021 0.000 2.982 379 T HA 0.697 5.047 4.350 -0.000 0.000 0.321 379 T C -0.206 174.480 174.700 -0.023 0.000 1.229 379 T CA -0.830 61.257 62.100 -0.023 0.000 1.044 379 T CB 2.293 71.145 68.868 -0.026 0.000 1.184 379 T HN 0.484 nan 8.240 nan 0.000 0.477 380 R N 0.891 121.378 120.500 -0.023 0.000 2.522 380 R HA 0.235 4.575 4.340 -0.000 0.000 0.373 380 R C 0.042 176.328 176.300 -0.022 0.000 1.062 380 R CA -0.478 55.608 56.100 -0.023 0.000 1.167 380 R CB 0.097 30.384 30.300 -0.021 0.000 1.378 380 R HN 0.501 nan 8.270 nan 0.000 0.662 381 R N 0.034 120.520 120.500 -0.022 0.000 2.655 381 R HA -0.032 4.308 4.340 -0.000 0.000 0.266 381 R C -0.555 175.733 176.300 -0.020 0.000 0.981 381 R CA 1.099 57.187 56.100 -0.020 0.000 1.098 381 R CB 0.470 30.758 30.300 -0.020 0.000 0.928 381 R HN 0.147 nan 8.270 nan 0.000 0.425 382 T N 2.006 116.550 114.554 -0.017 0.000 3.103 382 T HA 0.149 4.499 4.350 -0.000 0.000 0.352 382 T C -0.884 173.806 174.700 -0.017 0.000 1.048 382 T CA -0.399 61.689 62.100 -0.020 0.000 1.175 382 T CB 0.852 69.705 68.868 -0.026 0.000 1.029 382 T HN 0.358 nan 8.240 nan 0.000 0.498 383 V N 3.952 123.860 119.914 -0.010 0.000 2.567 383 V HA 0.560 4.680 4.120 -0.000 0.000 0.289 383 V C 0.100 176.165 176.094 -0.048 0.000 1.049 383 V CA -0.495 61.801 62.300 -0.007 0.000 0.969 383 V CB 1.615 33.467 31.823 0.048 0.000 0.995 383 V HN 0.841 nan 8.190 nan 0.000 0.471 384 Q N 5.289 125.064 119.800 -0.041 0.000 2.286 384 Q HA 0.373 4.713 4.340 -0.000 0.000 0.257 384 Q C -0.068 175.884 176.000 -0.081 0.000 0.941 384 Q CA -0.269 55.500 55.803 -0.056 0.000 0.912 384 Q CB 1.146 29.870 28.738 -0.024 0.000 1.192 384 Q HN 0.908 nan 8.270 nan 0.000 0.410 385 M N 4.450 123.966 119.600 -0.140 0.000 2.245 385 M HA 0.102 4.582 4.480 -0.000 0.000 0.344 385 M C -1.158 175.124 176.300 -0.031 0.000 1.170 385 M CA 0.755 55.941 55.300 -0.191 0.000 1.135 385 M CB 0.385 32.837 32.600 -0.246 0.000 1.574 385 M HN 0.871 nan 8.290 nan 0.000 0.452 386 D N 2.178 122.592 120.400 0.023 0.000 2.725 386 D HA 0.024 4.664 4.640 -0.000 0.000 0.292 386 D C 0.415 176.789 176.300 0.124 0.000 1.288 386 D CA -0.442 53.611 54.000 0.088 0.000 0.784 386 D CB -0.124 40.696 40.800 0.033 0.000 1.308 386 D HN 0.821 nan 8.370 nan 0.000 0.429 387 H N -1.084 118.071 119.070 0.142 0.000 2.460 387 H HA -0.108 4.448 4.556 -0.000 0.000 0.297 387 H C 1.136 176.587 175.328 0.204 0.000 1.103 387 H CA 1.955 58.109 56.048 0.177 0.000 1.292 387 H CB -1.066 28.770 29.762 0.124 0.000 1.376 387 H HN 0.403 nan 8.280 nan 0.000 0.531 388 T N 0.559 114.882 114.554 -0.385 0.000 2.881 388 T HA -0.110 4.240 4.350 -0.000 0.000 0.270 388 T C 1.461 176.138 174.700 -0.039 0.000 1.068 388 T CA 0.911 62.850 62.100 -0.268 0.000 1.131 388 T CB -0.530 68.130 68.868 -0.347 0.000 0.871 388 T HN 0.308 nan 8.240 nan 0.000 0.479 389 F N 1.064 120.909 119.950 -0.175 0.000 2.113 389 F HA 0.163 4.690 4.527 -0.000 0.000 0.297 389 F C 0.081 175.586 175.800 -0.492 0.000 1.103 389 F CA 0.655 58.427 58.000 -0.380 0.000 1.248 389 F CB -0.012 38.643 39.000 -0.575 0.000 0.999 389 F HN 0.067 nan 8.300 nan 0.000 0.475 390 F N 2.140 122.200 119.950 0.184 0.000 2.334 390 F HA 0.334 4.861 4.527 -0.000 0.000 0.365 390 F C -1.541 174.293 175.800 0.056 0.000 1.124 390 F CA -3.046 55.004 58.000 0.083 0.000 1.166 390 F CB -0.424 38.662 39.000 0.143 0.000 1.355 390 F HN -0.121 nan 8.300 nan 0.000 0.532 391 P HA 0.128 nan 4.420 nan 0.000 0.222 391 P C 0.628 178.002 177.300 0.123 0.000 1.153 391 P CA 0.899 64.052 63.100 0.088 0.000 0.798 391 P CB 0.702 32.410 31.700 0.015 0.000 0.796 392 G N -1.669 107.219 108.800 0.147 0.000 2.561 392 G HA2 0.218 4.178 3.960 -0.000 0.000 0.310 392 G HA3 0.218 4.178 3.960 -0.000 0.000 0.310 392 G C -1.893 173.127 174.900 0.200 0.000 1.292 392 G CA -0.647 44.549 45.100 0.160 0.000 0.811 392 G HN -0.107 nan 8.290 nan 0.000 0.482 393 Y N 1.811 122.153 120.300 0.070 0.000 2.730 393 Y HA 0.372 4.922 4.550 -0.000 0.000 0.354 393 Y C 1.475 177.421 175.900 0.077 0.000 1.139 393 Y CA 0.455 58.596 58.100 0.069 0.000 1.516 393 Y CB -0.402 38.093 38.460 0.057 0.000 1.204 393 Y HN 0.645 nan 8.280 nan 0.000 0.520 394 R N 2.990 123.344 120.500 -0.242 0.000 3.332 394 R HA -0.223 4.117 4.340 -0.000 0.000 0.263 394 R C -0.836 175.412 176.300 -0.087 0.000 1.053 394 R CA 0.983 56.924 56.100 -0.265 0.000 0.705 394 R CB -0.954 28.997 30.300 -0.582 0.000 1.166 394 R HN 0.653 nan 8.270 nan 0.000 0.427 395 K N -0.857 119.560 120.400 0.027 0.000 2.443 395 K HA 0.540 4.860 4.320 -0.000 0.000 0.251 395 K C 0.292 176.873 176.600 -0.031 0.000 0.972 395 K CA -0.309 55.975 56.287 -0.006 0.000 0.833 395 K CB 2.172 34.667 32.500 -0.008 0.000 1.317 395 K HN 0.195 nan 8.250 nan 0.000 0.441 396 T N -2.727 111.712 114.554 -0.192 0.000 2.573 396 T HA 0.383 4.733 4.350 -0.000 0.000 0.259 396 T C 0.852 175.220 174.700 -0.555 0.000 0.886 396 T CA -0.876 60.912 62.100 -0.520 0.000 1.110 396 T CB 0.207 68.642 68.868 -0.721 0.000 1.421 396 T HN 0.371 nan 8.240 nan 0.000 0.523 397 L N 0.057 120.770 121.223 -0.850 0.000 2.477 397 L HA 0.338 4.678 4.340 -0.000 0.000 0.220 397 L C 0.610 177.274 176.870 -0.343 0.000 1.106 397 L CA -0.129 54.380 54.840 -0.552 0.000 0.851 397 L CB -0.133 41.560 42.059 -0.610 0.000 0.994 397 L HN 0.422 nan 8.230 nan 0.000 0.462 398 L N 1.219 122.238 121.223 -0.341 0.000 2.543 398 L HA -0.050 4.290 4.340 -0.000 0.000 0.285 398 L C 0.988 177.773 176.870 -0.141 0.000 1.236 398 L CA 0.666 55.390 54.840 -0.194 0.000 0.871 398 L CB 0.537 42.500 42.059 -0.161 0.000 1.121 398 L HN 0.269 nan 8.230 nan 0.000 0.501 399 S N 3.540 119.180 115.700 -0.100 0.000 2.652 399 S HA 0.339 4.809 4.470 -0.000 0.000 0.270 399 S C -1.661 172.902 174.600 -0.061 0.000 1.243 399 S CA -1.248 56.907 58.200 -0.075 0.000 0.999 399 S CB 1.496 64.660 63.200 -0.060 0.000 0.973 399 S HN 0.441 nan 8.310 nan 0.000 0.544 400 P HA -0.113 nan 4.420 nan 0.000 0.219 400 P C 0.210 177.489 177.300 -0.035 0.000 1.144 400 P CA 1.390 64.468 63.100 -0.037 0.000 0.806 400 P CB -0.083 31.602 31.700 -0.025 0.000 0.771 401 E N -1.813 118.365 120.200 -0.037 0.000 2.498 401 E HA 0.134 4.484 4.350 -0.000 0.000 0.203 401 E C 0.171 176.748 176.600 -0.038 0.000 1.013 401 E CA -0.039 56.342 56.400 -0.033 0.000 0.927 401 E CB -0.164 29.520 29.700 -0.027 0.000 1.012 401 E HN 0.311 nan 8.360 nan 0.000 0.482 402 E N 1.038 121.210 120.200 -0.046 0.000 2.301 402 E HA 0.425 4.775 4.350 -0.000 0.000 0.275 402 E C -0.320 176.249 176.600 -0.052 0.000 1.030 402 E CA -0.591 55.780 56.400 -0.048 0.000 0.852 402 E CB 1.003 30.671 29.700 -0.054 0.000 1.060 402 E HN 0.175 nan 8.360 nan 0.000 0.401 403 I N -0.174 120.367 120.570 -0.049 0.000 2.785 403 I HA 0.433 4.603 4.170 -0.000 0.000 0.302 403 I C -1.204 174.885 176.117 -0.046 0.000 1.069 403 I CA -1.370 59.899 61.300 -0.052 0.000 1.045 403 I CB 1.137 39.103 38.000 -0.057 0.000 1.236 403 I HN 0.275 nan 8.210 nan 0.000 0.429 404 L N 4.208 125.404 121.223 -0.045 0.000 2.265 404 L HA 0.439 4.779 4.340 -0.000 0.000 0.288 404 L C 0.187 177.027 176.870 -0.050 0.000 1.058 404 L CA 0.002 54.818 54.840 -0.040 0.000 0.809 404 L CB 1.217 43.255 42.059 -0.035 0.000 1.179 404 L HN 0.889 nan 8.230 nan 0.000 0.429 405 L N 3.745 124.938 121.223 -0.050 0.000 2.013 405 L HA 0.241 4.581 4.340 -0.000 0.000 0.204 405 L C 0.579 177.413 176.870 -0.060 0.000 1.081 405 L CA 1.468 56.277 54.840 -0.052 0.000 0.751 405 L CB 0.033 42.064 42.059 -0.047 0.000 0.901 405 L HN 0.907 nan 8.230 nan 0.000 0.440 406 S N -1.801 113.857 115.700 -0.071 0.000 2.556 406 S HA 0.502 4.972 4.470 -0.000 0.000 0.271 406 S C -0.841 173.691 174.600 -0.114 0.000 1.135 406 S CA -0.840 57.312 58.200 -0.081 0.000 0.858 406 S CB 1.634 64.790 63.200 -0.073 0.000 1.114 406 S HN 0.064 nan 8.310 nan 0.000 0.468 407 I N 1.202 121.694 120.570 -0.130 0.000 2.566 407 I HA 0.607 4.777 4.170 -0.000 0.000 0.303 407 I C -0.245 175.797 176.117 -0.126 0.000 0.983 407 I CA -0.506 60.678 61.300 -0.195 0.000 1.235 407 I CB 1.578 39.368 38.000 -0.349 0.000 1.386 407 I HN 0.958 nan 8.210 nan 0.000 0.494 408 E N 6.684 126.801 120.200 -0.140 0.000 2.244 408 E HA 0.432 4.782 4.350 -0.000 0.000 0.260 408 E C -1.549 174.993 176.600 -0.097 0.000 0.884 408 E CA -0.521 55.809 56.400 -0.115 0.000 0.777 408 E CB 1.044 30.675 29.700 -0.115 0.000 1.197 408 E HN 0.529 nan 8.360 nan 0.000 0.416 409 I N 6.321 126.829 120.570 -0.104 0.000 2.428 409 I HA 0.333 4.503 4.170 -0.000 0.000 0.289 409 I C -2.038 173.992 176.117 -0.144 0.000 1.019 409 I CA -2.039 59.192 61.300 -0.115 0.000 1.351 409 I CB 1.341 39.192 38.000 -0.247 0.000 1.412 409 I HN 0.465 nan 8.210 nan 0.000 0.513 410 P HA 0.254 nan 4.420 nan 0.000 0.287 410 P C -1.295 176.132 177.300 0.212 0.000 1.270 410 P CA -0.560 62.573 63.100 0.056 0.000 0.844 410 P CB 0.590 32.348 31.700 0.097 0.000 1.068 411 Y N -0.329 120.134 120.300 0.270 0.000 2.426 411 Y HA 0.191 4.741 4.550 -0.000 0.000 0.344 411 Y C 1.782 177.751 175.900 0.116 0.000 1.256 411 Y CA 0.488 58.694 58.100 0.177 0.000 1.451 411 Y CB 0.439 38.920 38.460 0.036 0.000 1.342 411 Y HN 0.263 nan 8.280 nan 0.000 0.600 412 S N 1.940 117.782 115.700 0.236 0.000 2.508 412 S HA 0.455 4.925 4.470 -0.000 0.000 0.284 412 S C -0.281 174.343 174.600 0.039 0.000 1.192 412 S CA -0.963 57.310 58.200 0.123 0.000 1.070 412 S CB 0.366 63.627 63.200 0.101 0.000 1.004 412 S HN 0.616 nan 8.310 nan 0.000 0.493 413 R N 2.063 122.561 120.500 -0.004 0.000 2.707 413 R HA 0.243 4.583 4.340 -0.000 0.000 0.270 413 R C -0.100 176.131 176.300 -0.115 0.000 1.083 413 R CA -0.621 55.450 56.100 -0.049 0.000 1.182 413 R CB 0.247 30.522 30.300 -0.041 0.000 1.084 413 R HN 0.587 nan 8.270 nan 0.000 0.528 414 E N 1.155 121.297 120.200 -0.097 0.000 2.292 414 E HA 0.060 4.410 4.350 -0.000 0.000 0.265 414 E C 0.613 177.129 176.600 -0.140 0.000 1.093 414 E CA 0.573 56.912 56.400 -0.101 0.000 0.922 414 E CB 0.628 30.296 29.700 -0.052 0.000 1.001 414 E HN 0.823 nan 8.360 nan 0.000 0.444 415 G N 3.666 112.319 108.800 -0.245 0.000 2.272 415 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.280 415 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.280 415 G C 0.108 174.634 174.900 -0.624 0.000 1.067 415 G CA 0.620 45.481 45.100 -0.398 0.000 0.902 415 G HN 0.486 nan 8.290 nan 0.000 0.500 416 E N -0.695 119.035 120.200 -0.784 0.000 2.212 416 E HA 0.732 5.082 4.350 -0.000 0.000 0.268 416 E C -0.720 175.434 176.600 -0.743 0.000 0.902 416 E CA -1.039 54.985 56.400 -0.626 0.000 0.779 416 E CB 1.293 30.824 29.700 -0.281 0.000 1.172 416 E HN 0.302 nan 8.360 nan 0.000 0.409 417 Y N 2.549 122.788 120.300 -0.101 0.000 2.512 417 Y HA 0.521 5.071 4.550 -0.000 0.000 0.348 417 Y C -0.934 175.046 175.900 0.133 0.000 0.990 417 Y CA -0.999 57.093 58.100 -0.015 0.000 1.033 417 Y CB 2.037 40.411 38.460 -0.144 0.000 1.259 417 Y HN 0.456 nan 8.280 nan 0.000 0.461 418 F N 1.696 121.785 119.950 0.233 0.000 2.588 418 F HA 0.582 5.109 4.527 -0.000 0.000 0.318 418 F C -0.938 174.876 175.800 0.023 0.000 1.155 418 F CA -0.449 57.610 58.000 0.099 0.000 0.967 418 F CB 1.458 40.458 39.000 0.001 0.000 1.236 418 F HN 0.529 nan 8.300 nan 0.000 0.455 419 S N 2.978 118.895 115.700 0.362 0.000 2.709 419 S HA 0.971 5.441 4.470 -0.000 0.000 0.302 419 S C -1.000 173.315 174.600 -0.476 0.000 1.127 419 S CA -0.882 57.256 58.200 -0.103 0.000 0.905 419 S CB 1.928 65.016 63.200 -0.186 0.000 1.151 419 S HN 0.797 nan 8.310 nan 0.000 0.510 420 A N 0.574 122.874 122.820 -0.867 0.000 2.454 420 A HA 0.907 5.227 4.320 -0.000 0.000 0.302 420 A C -1.551 175.276 177.584 -1.262 0.000 1.079 420 A CA -0.705 50.827 52.037 -0.843 0.000 0.731 420 A CB 0.815 19.518 19.000 -0.494 0.000 1.299 420 A HN 0.644 nan 8.150 nan 0.000 0.413 421 F N 0.157 119.836 119.950 -0.452 0.000 2.603 421 F HA 0.745 5.272 4.527 -0.000 0.000 0.317 421 F C 0.074 175.579 175.800 -0.491 0.000 1.066 421 F CA -0.709 56.889 58.000 -0.669 0.000 0.941 421 F CB 2.622 40.659 39.000 -1.604 0.000 1.291 421 F HN 0.583 nan 8.300 nan 0.000 0.472 422 K N 1.915 122.272 120.400 -0.071 0.000 2.550 422 K HA 0.480 4.800 4.320 -0.000 0.000 0.252 422 K C -1.953 174.757 176.600 0.183 0.000 0.943 422 K CA -0.686 55.636 56.287 0.059 0.000 0.806 422 K CB 2.142 34.675 32.500 0.056 0.000 1.289 422 K HN 0.572 nan 8.250 nan 0.000 0.435 423 Q N 2.671 122.629 119.800 0.264 0.000 2.347 423 Q HA 0.732 5.072 4.340 -0.000 0.000 0.271 423 Q C -1.566 174.505 176.000 0.119 0.000 1.064 423 Q CA -0.109 55.812 55.803 0.197 0.000 0.800 423 Q CB 2.179 31.061 28.738 0.239 0.000 1.304 423 Q HN 0.709 nan 8.270 nan 0.000 0.438 424 A N 1.525 124.400 122.820 0.093 0.000 1.761 424 A HA 0.703 5.023 4.320 -0.000 0.000 0.168 424 A C -0.812 176.824 177.584 0.088 0.000 1.884 424 A CA 0.595 52.675 52.037 0.071 0.000 1.217 424 A CB 0.182 19.201 19.000 0.032 0.000 0.934 424 A HN 1.443 nan 8.150 nan 0.000 0.682 425 S N -0.793 114.938 115.700 0.052 0.000 4.019 425 S HA 0.274 4.744 4.470 -0.000 0.000 0.117 425 S C -0.457 174.144 174.600 0.001 0.000 0.825 425 S CA 0.120 58.341 58.200 0.035 0.000 0.799 425 S CB -1.225 62.000 63.200 0.041 0.000 1.034 425 S HN 1.243 nan 8.310 nan 0.000 0.685 426 R N 1.291 121.782 120.500 -0.014 0.000 2.239 426 R HA -0.154 4.186 4.340 -0.000 0.000 0.360 426 R C 1.442 177.726 176.300 -0.028 0.000 1.049 426 R CA 0.690 56.775 56.100 -0.025 0.000 0.712 426 R CB -0.657 29.636 30.300 -0.012 0.000 2.257 426 R HN 0.956 nan 8.270 nan 0.000 0.472 427 R N 1.406 121.849 120.500 -0.096 0.000 2.335 427 R HA -0.258 4.082 4.340 -0.000 0.000 0.219 427 R C 0.310 176.637 176.300 0.046 0.000 1.088 427 R CA 2.224 58.202 56.100 -0.203 0.000 0.828 427 R CB -0.743 29.321 30.300 -0.392 0.000 0.902 427 R HN 0.599 nan 8.270 nan 0.000 0.409 428 E N 3.041 123.362 120.200 0.202 0.000 2.324 428 E HA 0.022 4.372 4.350 -0.000 0.000 0.271 428 E C -0.278 176.447 176.600 0.209 0.000 1.028 428 E CA -0.240 56.388 56.400 0.381 0.000 0.890 428 E CB 0.335 30.234 29.700 0.332 0.000 1.004 428 E HN 0.379 nan 8.360 nan 0.000 0.431 429 D N 2.145 122.664 120.400 0.198 0.000 3.845 429 D HA -0.187 4.453 4.640 -0.000 0.000 0.227 429 D C -1.093 175.245 176.300 0.064 0.000 1.092 429 D CA 1.071 55.132 54.000 0.101 0.000 1.148 429 D CB -0.414 40.437 40.800 0.084 0.000 0.803 429 D HN 0.616 nan 8.370 nan 0.000 0.395 430 D N 0.404 120.826 120.400 0.035 0.000 3.309 430 D HA 0.460 5.100 4.640 -0.000 0.000 0.335 430 D C 0.037 176.304 176.300 -0.055 0.000 1.393 430 D CA -0.308 53.688 54.000 -0.007 0.000 0.963 430 D CB 0.808 41.612 40.800 0.007 0.000 1.431 430 D HN 0.331 nan 8.370 nan 0.000 0.583 431 I N -1.355 119.189 120.570 -0.043 0.000 2.750 431 I HA 0.803 4.973 4.170 -0.000 0.000 0.308 431 I C -0.749 175.351 176.117 -0.028 0.000 1.016 431 I CA -0.928 60.339 61.300 -0.054 0.000 1.098 431 I CB 2.068 40.024 38.000 -0.073 0.000 1.279 431 I HN 0.285 nan 8.210 nan 0.000 0.454 432 A N 3.666 126.466 122.820 -0.032 0.000 2.409 432 A HA 0.435 4.755 4.320 -0.000 0.000 0.300 432 A C 0.414 177.995 177.584 -0.006 0.000 1.273 432 A CA -0.697 51.334 52.037 -0.010 0.000 0.774 432 A CB 0.809 19.796 19.000 -0.022 0.000 1.144 432 A HN 0.889 nan 8.150 nan 0.000 0.472 433 K N 0.507 120.906 120.400 -0.001 0.000 2.148 433 K HA 0.089 4.409 4.320 -0.000 0.000 0.204 433 K C -0.008 176.565 176.600 -0.045 0.000 1.050 433 K CA 1.236 57.497 56.287 -0.044 0.000 0.942 433 K CB 0.138 32.604 32.500 -0.057 0.000 0.724 433 K HN 0.505 nan 8.250 nan 0.000 0.446 434 V N -0.078 119.850 119.914 0.024 0.000 2.888 434 V HA 0.258 4.378 4.120 -0.000 0.000 0.309 434 V C -0.697 175.541 176.094 0.240 0.000 1.114 434 V CA -0.924 61.453 62.300 0.128 0.000 0.940 434 V CB 2.013 33.902 31.823 0.111 0.000 1.021 434 V HN 0.054 nan 8.190 nan 0.000 0.426 435 T N 1.946 116.613 114.554 0.187 0.000 2.916 435 T HA 0.744 5.094 4.350 -0.000 0.000 0.305 435 T C -1.314 173.381 174.700 -0.008 0.000 1.119 435 T CA -0.262 61.885 62.100 0.079 0.000 1.008 435 T CB 1.913 70.789 68.868 0.013 0.000 1.129 435 T HN 0.914 nan 8.240 nan 0.000 0.480 436 S N 1.481 117.074 115.700 -0.179 0.000 2.536 436 S HA 0.792 5.262 4.470 -0.000 0.000 0.271 436 S C -0.539 173.848 174.600 -0.355 0.000 1.134 436 S CA -0.249 57.742 58.200 -0.349 0.000 0.897 436 S CB 1.451 64.363 63.200 -0.481 0.000 1.094 436 S HN 1.239 nan 8.310 nan 0.000 0.473 437 G N 3.277 111.894 108.800 -0.305 0.000 2.544 437 G HA2 0.639 4.599 3.960 -0.000 0.000 0.313 437 G HA3 0.639 4.599 3.960 -0.000 0.000 0.313 437 G C -0.970 173.762 174.900 -0.279 0.000 1.316 437 G CA -0.620 44.392 45.100 -0.146 0.000 0.944 437 G HN 0.631 nan 8.290 nan 0.000 0.489 438 M N 2.118 121.475 119.600 -0.404 0.000 2.321 438 M HA 0.546 5.026 4.480 -0.000 0.000 0.315 438 M C -0.331 175.311 176.300 -1.096 0.000 1.052 438 M CA -0.771 54.050 55.300 -0.798 0.000 0.936 438 M CB 3.136 34.950 32.600 -1.309 0.000 1.639 438 M HN 0.474 nan 8.290 nan 0.000 0.433 439 R N 1.872 121.919 120.500 -0.755 0.000 2.628 439 R HA 0.819 5.159 4.340 -0.000 0.000 0.288 439 R C -2.195 174.047 176.300 -0.096 0.000 0.980 439 R CA -0.592 55.179 56.100 -0.549 0.000 0.891 439 R CB 2.439 32.311 30.300 -0.714 0.000 1.188 439 R HN 0.653 nan 8.270 nan 0.000 0.450 440 V N 5.426 125.323 119.914 -0.028 0.000 2.709 440 V HA 0.559 4.679 4.120 -0.000 0.000 0.308 440 V C -1.418 174.427 176.094 -0.416 0.000 1.062 440 V CA -0.848 61.336 62.300 -0.193 0.000 0.901 440 V CB 2.042 33.698 31.823 -0.278 0.000 1.003 440 V HN 0.687 nan 8.190 nan 0.000 0.425 441 L N 5.936 126.895 121.223 -0.440 0.000 2.386 441 L HA 0.722 5.062 4.340 -0.000 0.000 0.271 441 L C -1.320 175.305 176.870 -0.408 0.000 0.993 441 L CA 0.096 54.692 54.840 -0.406 0.000 0.819 441 L CB 1.744 43.686 42.059 -0.196 0.000 1.294 441 L HN 0.515 nan 8.230 nan 0.000 0.414 442 F N 2.660 122.578 119.950 -0.053 0.000 2.432 442 F HA 0.473 5.000 4.527 -0.000 0.000 0.329 442 F C 0.483 176.277 175.800 -0.010 0.000 1.076 442 F CA -0.849 57.144 58.000 -0.012 0.000 1.018 442 F CB 1.357 40.352 39.000 -0.008 0.000 1.201 442 F HN 0.372 nan 8.300 nan 0.000 0.489 443 K N 4.526 125.071 120.400 0.241 0.000 2.378 443 K HA 0.179 4.499 4.320 -0.000 0.000 0.288 443 K C -2.418 174.246 176.600 0.107 0.000 1.057 443 K CA -1.626 54.738 56.287 0.127 0.000 0.971 443 K CB 0.489 33.053 32.500 0.107 0.000 0.975 443 K HN 0.182 nan 8.250 nan 0.000 0.475 444 P HA -0.011 nan 4.420 nan 0.000 0.270 444 P C 0.483 177.806 177.300 0.039 0.000 1.223 444 P CA 0.446 63.580 63.100 0.056 0.000 0.785 444 P CB 0.501 32.218 31.700 0.029 0.000 0.923 445 G N 0.478 109.297 108.800 0.031 0.000 2.205 445 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.269 445 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.269 445 G C 0.255 175.151 174.900 -0.008 0.000 0.977 445 G CA 0.988 46.095 45.100 0.011 0.000 0.652 445 G HN 0.986 nan 8.290 nan 0.000 0.539 446 T N -3.337 111.207 114.554 -0.017 0.000 2.883 446 T HA 0.641 4.991 4.350 -0.000 0.000 0.296 446 T C -0.024 174.572 174.700 -0.172 0.000 1.117 446 T CA 0.384 62.444 62.100 -0.067 0.000 1.006 446 T CB 1.962 70.808 68.868 -0.037 0.000 1.191 446 T HN 1.003 nan 8.240 nan 0.000 0.508 447 T N 0.077 114.435 114.554 -0.327 0.000 2.937 447 T HA 0.281 4.631 4.350 -0.000 0.000 0.316 447 T C 0.453 175.025 174.700 -0.214 0.000 1.079 447 T CA 0.852 62.575 62.100 -0.628 0.000 1.131 447 T CB 0.306 68.833 68.868 -0.570 0.000 1.000 447 T HN 0.956 nan 8.240 nan 0.000 0.549 448 E N 1.871 122.073 120.200 0.004 0.000 2.763 448 E HA 0.271 4.621 4.350 -0.000 0.000 0.282 448 E C -1.026 175.826 176.600 0.421 0.000 1.124 448 E CA 0.083 56.612 56.400 0.214 0.000 2.045 448 E CB 0.542 30.334 29.700 0.154 0.000 2.468 448 E HN 0.521 nan 8.360 nan 0.000 1.058 449 V N 2.462 122.695 119.914 0.532 0.000 3.587 449 V HA -0.117 4.003 4.120 -0.000 0.000 0.373 449 V C 0.319 176.523 176.094 0.182 0.000 0.744 449 V CA 0.213 62.726 62.300 0.354 0.000 1.814 449 V CB 0.154 32.176 31.823 0.331 0.000 2.218 449 V HN 0.374 nan 8.190 nan 0.000 0.474 450 Q N 1.301 121.176 119.800 0.125 0.000 1.965 450 Q HA 0.048 4.388 4.340 -0.000 0.000 0.200 450 Q C 0.761 176.784 176.000 0.039 0.000 0.981 450 Q CA 1.630 57.475 55.803 0.069 0.000 0.834 450 Q CB 0.359 29.125 28.738 0.047 0.000 0.900 450 Q HN 0.845 nan 8.270 nan 0.000 0.426 451 E N -0.238 119.961 120.200 -0.003 0.000 2.199 451 E HA 0.495 4.845 4.350 -0.000 0.000 0.269 451 E C -1.466 175.126 176.600 -0.013 0.000 0.899 451 E CA -0.395 56.000 56.400 -0.008 0.000 0.772 451 E CB 1.948 31.629 29.700 -0.031 0.000 1.155 451 E HN 0.022 nan 8.360 nan 0.000 0.408 452 L N 2.268 123.505 121.223 0.024 0.000 2.436 452 L HA 0.808 5.148 4.340 -0.000 0.000 0.268 452 L C -1.810 175.078 176.870 0.031 0.000 0.974 452 L CA -0.335 54.538 54.840 0.055 0.000 0.826 452 L CB 1.756 43.901 42.059 0.142 0.000 1.291 452 L HN 0.626 nan 8.230 nan 0.000 0.406 453 A N 5.526 128.346 122.820 0.000 0.000 2.422 453 A HA 0.807 5.127 4.320 -0.000 0.000 0.302 453 A C -1.744 175.812 177.584 -0.046 0.000 1.041 453 A CA -0.475 51.552 52.037 -0.017 0.000 0.708 453 A CB 1.503 20.487 19.000 -0.027 0.000 1.257 453 A HN 0.646 nan 8.150 nan 0.000 0.414 454 L N 1.988 123.216 121.223 0.009 0.000 2.388 454 L HA 0.349 4.689 4.340 -0.000 0.000 0.267 454 L C -1.116 175.773 176.870 0.032 0.000 0.995 454 L CA -0.388 54.459 54.840 0.012 0.000 0.864 454 L CB 1.271 43.432 42.059 0.170 0.000 1.216 454 L HN 0.724 nan 8.230 nan 0.000 0.430 455 C N 2.750 121.977 119.300 -0.122 0.000 2.329 455 C HA 0.591 5.051 4.460 -0.000 0.000 0.329 455 C C -0.418 174.483 174.990 -0.148 0.000 1.275 455 C CA -0.646 58.351 59.018 -0.034 0.000 1.726 455 C CB 0.353 28.075 27.740 -0.030 0.000 2.291 455 C HN 0.474 nan 8.230 nan 0.000 0.514 456 Y N 1.202 121.512 120.300 0.017 0.000 2.338 456 Y HA 0.540 5.090 4.550 -0.000 0.000 0.333 456 Y C 0.748 176.647 175.900 -0.001 0.000 0.968 456 Y CA -0.120 57.994 58.100 0.023 0.000 1.123 456 Y CB 1.380 39.862 38.460 0.037 0.000 1.165 456 Y HN 0.851 nan 8.280 nan 0.000 0.452 457 G N 0.438 109.317 108.800 0.131 0.000 2.420 457 G HA2 0.447 4.407 3.960 -0.000 0.000 0.284 457 G HA3 0.447 4.407 3.960 -0.000 0.000 0.284 457 G C 0.751 175.696 174.900 0.076 0.000 1.177 457 G CA -0.060 45.076 45.100 0.061 0.000 0.841 457 G HN 1.247 nan 8.290 nan 0.000 0.527 458 G N 0.883 109.699 108.800 0.027 0.000 2.157 458 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.239 458 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.239 458 G C 1.024 175.905 174.900 -0.032 0.000 0.982 458 G CA 0.681 45.777 45.100 -0.007 0.000 0.650 458 G HN 0.520 nan 8.290 nan 0.000 0.527 459 M N -0.477 119.115 119.600 -0.013 0.000 2.379 459 M HA 0.545 5.025 4.480 -0.000 0.000 0.265 459 M C 1.249 177.516 176.300 -0.055 0.000 1.095 459 M CA 1.241 56.507 55.300 -0.056 0.000 1.075 459 M CB 0.496 33.046 32.600 -0.084 0.000 1.443 459 M HN 0.703 nan 8.290 nan 0.000 0.519 460 A N 0.046 122.852 122.820 -0.025 0.000 2.973 460 A HA 0.502 4.822 4.320 -0.000 0.000 0.267 460 A C 0.674 178.254 177.584 -0.008 0.000 1.210 460 A CA -0.354 51.672 52.037 -0.018 0.000 0.749 460 A CB 0.191 19.196 19.000 0.009 0.000 1.373 460 A HN 0.116 nan 8.150 nan 0.000 0.585 461 N N -0.035 118.675 118.700 0.017 0.000 2.192 461 N HA -0.109 4.631 4.740 -0.000 0.000 0.188 461 N C 0.349 175.937 175.510 0.131 0.000 1.013 461 N CA 1.802 54.893 53.050 0.068 0.000 0.863 461 N CB -0.404 38.143 38.487 0.099 0.000 0.990 461 N HN 0.600 nan 8.380 nan 0.000 0.430 462 R N -3.647 116.899 120.500 0.077 0.000 2.826 462 R HA 0.382 4.722 4.340 -0.000 0.000 0.269 462 R C -1.061 175.220 176.300 -0.031 0.000 1.031 462 R CA -0.744 55.370 56.100 0.023 0.000 0.900 462 R CB -0.005 30.351 30.300 0.093 0.000 1.318 462 R HN -0.346 nan 8.270 nan 0.000 0.447 463 T N 2.886 117.341 114.554 -0.164 0.000 2.738 463 T HA 0.331 4.681 4.350 -0.000 0.000 0.294 463 T C 0.386 175.100 174.700 0.024 0.000 0.914 463 T CA -0.527 61.497 62.100 -0.127 0.000 1.052 463 T CB -0.294 68.377 68.868 -0.328 0.000 0.897 463 T HN 0.412 nan 8.240 nan 0.000 0.522 464 I N 0.439 121.059 120.570 0.083 0.000 2.664 464 I HA 0.686 4.856 4.170 -0.000 0.000 0.308 464 I C 0.082 176.295 176.117 0.161 0.000 0.984 464 I CA -0.689 60.688 61.300 0.129 0.000 1.213 464 I CB 1.702 39.763 38.000 0.101 0.000 1.379 464 I HN 0.365 nan 8.210 nan 0.000 0.501 465 S N 2.782 118.569 115.700 0.143 0.000 2.541 465 S HA 0.557 5.027 4.470 -0.000 0.000 0.283 465 S C 1.207 175.850 174.600 0.071 0.000 1.196 465 S CA 0.063 58.332 58.200 0.114 0.000 1.062 465 S CB 1.491 64.743 63.200 0.086 0.000 1.009 465 S HN 0.906 nan 8.310 nan 0.000 0.502 466 A N 3.927 126.800 122.820 0.088 0.000 2.038 466 A HA -0.231 4.089 4.320 -0.000 0.000 0.224 466 A C 1.934 179.521 177.584 0.006 0.000 1.190 466 A CA 2.524 54.601 52.037 0.066 0.000 0.668 466 A CB -1.231 17.803 19.000 0.057 0.000 0.820 466 A HN 1.073 nan 8.150 nan 0.000 0.474 467 L N -2.125 119.084 121.223 -0.023 0.000 2.127 467 L HA -0.077 4.263 4.340 -0.000 0.000 0.211 467 L C 1.959 178.806 176.870 -0.038 0.000 1.089 467 L CA 2.321 57.134 54.840 -0.045 0.000 0.757 467 L CB -1.021 40.972 42.059 -0.110 0.000 0.899 467 L HN 0.227 nan 8.230 nan 0.000 0.434 468 K N 0.086 120.463 120.400 -0.038 0.000 2.026 468 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 468 K C 2.047 178.631 176.600 -0.027 0.000 1.048 468 K CA 2.080 58.349 56.287 -0.030 0.000 0.929 468 K CB -0.442 32.041 32.500 -0.028 0.000 0.713 468 K HN 0.510 nan 8.250 nan 0.000 0.439 469 T N 0.408 114.941 114.554 -0.034 0.000 2.746 469 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 469 T C 1.943 176.622 174.700 -0.035 0.000 1.039 469 T CA 1.723 63.795 62.100 -0.045 0.000 1.142 469 T CB -0.448 68.378 68.868 -0.069 0.000 0.866 469 T HN 0.255 nan 8.240 nan 0.000 0.444 470 T N 1.479 116.022 114.554 -0.019 0.000 2.607 470 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 470 T C 2.069 176.776 174.700 0.013 0.000 1.049 470 T CA 1.825 63.928 62.100 0.005 0.000 1.162 470 T CB -0.433 68.445 68.868 0.016 0.000 0.863 470 T HN 0.322 nan 8.240 nan 0.000 0.424 471 Q N 1.005 120.808 119.800 0.004 0.000 1.943 471 Q HA -0.231 4.109 4.340 -0.000 0.000 0.213 471 Q C 2.240 178.249 176.000 0.016 0.000 1.017 471 Q CA 2.523 58.331 55.803 0.010 0.000 0.874 471 Q CB -0.396 28.342 28.738 0.000 0.000 0.960 471 Q HN 0.497 nan 8.270 nan 0.000 0.417 472 R N -0.648 119.857 120.500 0.007 0.000 2.178 472 R HA -0.261 4.079 4.340 -0.000 0.000 0.257 472 R C 1.659 177.969 176.300 0.018 0.000 1.163 472 R CA 1.988 58.093 56.100 0.009 0.000 0.981 472 R CB -0.231 30.067 30.300 -0.002 0.000 0.878 472 R HN 0.357 nan 8.270 nan 0.000 0.454 473 Q N 0.272 120.085 119.800 0.020 0.000 2.472 473 Q HA 0.054 4.394 4.340 -0.000 0.000 0.208 473 Q C 0.363 176.406 176.000 0.072 0.000 0.958 473 Q CA 0.318 56.143 55.803 0.038 0.000 0.932 473 Q CB -0.091 28.664 28.738 0.028 0.000 1.007 473 Q HN 0.373 nan 8.270 nan 0.000 0.508 474 L N 2.113 123.375 121.223 0.065 0.000 2.410 474 L HA -0.008 4.332 4.340 -0.000 0.000 0.273 474 L C 0.032 176.950 176.870 0.080 0.000 1.144 474 L CA 0.193 55.079 54.840 0.078 0.000 0.863 474 L CB 0.367 42.461 42.059 0.058 0.000 1.140 474 L HN 0.317 nan 8.230 nan 0.000 0.463 475 S N 1.418 117.181 115.700 0.105 0.000 3.524 475 S HA -0.239 4.231 4.470 -0.000 0.000 0.377 475 S C 0.117 174.777 174.600 0.099 0.000 0.949 475 S CA 1.214 59.480 58.200 0.110 0.000 1.264 475 S CB -1.669 61.583 63.200 0.087 0.000 0.918 475 S HN 0.789 nan 8.310 nan 0.000 0.517 476 K N 0.089 120.560 120.400 0.119 0.000 2.660 476 K HA 0.834 5.154 4.320 -0.000 0.000 0.262 476 K C 0.021 176.696 176.600 0.126 0.000 0.981 476 K CA -0.704 55.644 56.287 0.102 0.000 1.532 476 K CB 0.240 32.788 32.500 0.080 0.000 2.490 476 K HN 0.265 nan 8.250 nan 0.000 0.886 477 L N -0.157 121.135 121.223 0.116 0.000 2.409 477 L HA 0.281 4.621 4.340 -0.000 0.000 0.262 477 L C -1.318 175.636 176.870 0.140 0.000 0.992 477 L CA -0.495 54.419 54.840 0.125 0.000 0.817 477 L CB 1.813 43.912 42.059 0.067 0.000 1.350 477 L HN 0.486 nan 8.230 nan 0.000 0.411 478 W N 4.777 126.065 121.300 -0.021 0.000 2.666 478 W HA 0.326 4.986 4.660 -0.000 0.000 0.365 478 W C -0.344 176.119 176.519 -0.093 0.000 1.224 478 W CA 0.226 57.515 57.345 -0.094 0.000 1.515 478 W CB 0.451 29.820 29.460 -0.151 0.000 1.562 478 W HN 0.512 nan 8.180 nan 0.000 0.455 479 K N 2.458 122.812 120.400 -0.077 0.000 2.660 479 K HA -0.073 4.247 4.320 -0.000 0.000 0.285 479 K C 0.667 177.381 176.600 0.190 0.000 0.997 479 K CA -0.660 55.696 56.287 0.115 0.000 0.861 479 K CB 1.757 34.309 32.500 0.087 0.000 1.469 479 K HN 0.160 nan 8.250 nan 0.000 0.395 480 E N 1.232 121.559 120.200 0.212 0.000 2.149 480 E HA -0.276 4.074 4.350 -0.000 0.000 0.215 480 E C 0.483 177.153 176.600 0.117 0.000 1.055 480 E CA 2.457 58.953 56.400 0.160 0.000 0.870 480 E CB 0.118 29.884 29.700 0.110 0.000 0.764 480 E HN 0.489 nan 8.360 nan 0.000 0.463 481 E N -0.891 119.360 120.200 0.085 0.000 2.502 481 E HA 0.010 4.360 4.350 -0.000 0.000 0.194 481 E C 1.492 178.122 176.600 0.050 0.000 1.062 481 E CA 0.263 56.699 56.400 0.060 0.000 0.867 481 E CB 0.070 29.797 29.700 0.045 0.000 0.888 481 E HN 0.316 nan 8.360 nan 0.000 0.510 482 L N 0.110 121.367 121.223 0.056 0.000 2.084 482 L HA 0.027 4.367 4.340 -0.000 0.000 0.202 482 L C 1.840 178.756 176.870 0.076 0.000 1.074 482 L CA 1.069 55.922 54.840 0.021 0.000 0.757 482 L CB -0.397 41.622 42.059 -0.067 0.000 0.918 482 L HN 0.196 nan 8.230 nan 0.000 0.444 483 L N -0.066 121.282 121.223 0.209 0.000 2.127 483 L HA -0.187 4.153 4.340 -0.000 0.000 0.211 483 L C 2.409 179.372 176.870 0.156 0.000 1.089 483 L CA 1.731 56.747 54.840 0.293 0.000 0.757 483 L CB -0.986 41.127 42.059 0.091 0.000 0.899 483 L HN 0.439 nan 8.230 nan 0.000 0.434 484 Q N -0.405 119.452 119.800 0.096 0.000 1.993 484 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 484 Q C 2.059 178.076 176.000 0.028 0.000 0.984 484 Q CA 1.945 57.786 55.803 0.063 0.000 0.837 484 Q CB -0.756 28.011 28.738 0.049 0.000 0.902 484 Q HN 0.573 nan 8.270 nan 0.000 0.423 485 D N 0.392 120.799 120.400 0.013 0.000 2.178 485 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 485 D C 1.976 178.246 176.300 -0.051 0.000 0.980 485 D CA 0.523 54.516 54.000 -0.013 0.000 0.842 485 D CB 0.141 40.936 40.800 -0.009 0.000 0.948 485 D HN 0.001 nan 8.370 nan 0.000 0.472 486 V N 0.090 119.951 119.914 -0.088 0.000 2.255 486 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 486 V C 2.820 178.804 176.094 -0.183 0.000 1.051 486 V CA 1.776 63.941 62.300 -0.224 0.000 1.018 486 V CB -0.671 30.848 31.823 -0.507 0.000 0.641 486 V HN 0.355 nan 8.190 nan 0.000 0.445 487 C N 0.135 119.379 119.300 -0.092 0.000 2.446 487 C HA 0.111 4.571 4.460 -0.000 0.000 0.279 487 C C 3.048 178.013 174.990 -0.042 0.000 1.366 487 C CA 0.163 59.145 59.018 -0.060 0.000 1.763 487 C CB -1.403 26.339 27.740 0.004 0.000 1.929 487 C HN 0.627 nan 8.230 nan 0.000 0.509 488 A N 1.400 124.204 122.820 -0.027 0.000 1.865 488 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 488 A C 2.412 179.971 177.584 -0.042 0.000 1.191 488 A CA 2.223 54.246 52.037 -0.023 0.000 0.623 488 A CB -1.334 17.657 19.000 -0.016 0.000 0.826 488 A HN 0.532 nan 8.150 nan 0.000 0.444 489 G N -0.923 107.842 108.800 -0.058 0.000 2.534 489 G HA2 0.043 4.003 3.960 -0.000 0.000 0.217 489 G HA3 0.043 4.003 3.960 -0.000 0.000 0.217 489 G C 1.398 176.253 174.900 -0.076 0.000 1.128 489 G CA 0.667 45.730 45.100 -0.062 0.000 0.784 489 G HN 0.422 nan 8.290 nan 0.000 0.542 490 L N 0.149 121.314 121.223 -0.096 0.000 2.291 490 L HA 0.078 4.418 4.340 -0.000 0.000 0.214 490 L C 3.081 179.891 176.870 -0.099 0.000 1.120 490 L CA 0.813 55.582 54.840 -0.118 0.000 0.799 490 L CB -0.098 41.879 42.059 -0.137 0.000 0.925 490 L HN 0.319 nan 8.230 nan 0.000 0.446 491 A N -0.443 122.340 122.820 -0.062 0.000 1.997 491 A HA -0.112 4.208 4.320 -0.000 0.000 0.212 491 A C 2.182 179.765 177.584 -0.003 0.000 1.178 491 A CA 0.745 52.764 52.037 -0.030 0.000 0.698 491 A CB -0.060 18.931 19.000 -0.016 0.000 0.842 491 A HN 0.399 nan 8.150 nan 0.000 0.458 492 E N 0.274 120.459 120.200 -0.024 0.000 2.014 492 E HA -0.205 4.145 4.350 -0.000 0.000 0.190 492 E C 1.906 178.508 176.600 0.003 0.000 0.980 492 E CA 1.206 57.592 56.400 -0.023 0.000 0.807 492 E CB -0.289 29.388 29.700 -0.038 0.000 0.770 492 E HN 0.603 nan 8.360 nan 0.000 0.451 493 E N 0.056 120.243 120.200 -0.023 0.000 2.021 493 E HA -0.201 4.149 4.350 -0.000 0.000 0.200 493 E C 1.284 177.877 176.600 -0.012 0.000 1.015 493 E CA 1.612 57.998 56.400 -0.023 0.000 0.824 493 E CB -0.092 29.581 29.700 -0.044 0.000 0.762 493 E HN 0.274 nan 8.360 nan 0.000 0.454 494 L N 1.531 122.726 121.223 -0.046 0.000 2.862 494 L HA 0.116 4.455 4.340 -0.000 0.000 0.240 494 L C 0.739 177.585 176.870 -0.040 0.000 1.283 494 L CA 0.035 54.830 54.840 -0.074 0.000 1.117 494 L CB -0.557 41.396 42.059 -0.176 0.000 1.444 494 L HN 0.233 nan 8.230 nan 0.000 0.456 495 H N 1.020 120.047 119.070 -0.071 0.000 2.790 495 H HA 0.214 4.770 4.556 -0.000 0.000 0.358 495 H C -0.649 174.648 175.328 -0.052 0.000 1.103 495 H CA -0.153 55.860 56.048 -0.057 0.000 1.426 495 H CB 0.879 30.617 29.762 -0.039 0.000 1.424 495 H HN 0.134 nan 8.280 nan 0.000 0.599 496 L N 6.640 127.413 121.223 -0.750 0.000 2.322 496 L HA 0.305 4.645 4.340 -0.000 0.000 0.281 496 L C -2.016 174.439 176.870 -0.693 0.000 1.014 496 L CA -2.104 52.374 54.840 -0.604 0.000 0.815 496 L CB 2.033 43.913 42.059 -0.299 0.000 1.247 496 L HN 0.620 nan 8.230 nan 0.000 0.421 497 P HA 0.210 nan 4.420 nan 0.000 0.275 497 P C -2.433 174.813 177.300 -0.091 0.000 1.227 497 P CA -1.496 61.513 63.100 -0.151 0.000 0.781 497 P CB 0.521 32.183 31.700 -0.063 0.000 0.906 498 P HA -0.075 nan 4.420 nan 0.000 0.231 498 P C 1.011 178.330 177.300 0.032 0.000 1.168 498 P CA 0.887 63.987 63.100 0.001 0.000 0.779 498 P CB -0.099 31.618 31.700 0.029 0.000 0.844 499 D N -0.093 120.329 120.400 0.037 0.000 2.350 499 D HA -0.071 4.569 4.640 -0.000 0.000 0.216 499 D C 0.681 177.018 176.300 0.062 0.000 0.968 499 D CA 0.073 54.114 54.000 0.068 0.000 0.894 499 D CB -0.358 40.482 40.800 0.067 0.000 0.909 499 D HN 0.033 nan 8.370 nan 0.000 0.520 500 A N 2.197 125.018 122.820 0.001 0.000 2.547 500 A HA 0.238 4.558 4.320 -0.000 0.000 0.233 500 A C -2.062 175.491 177.584 -0.050 0.000 1.067 500 A CA -0.580 51.433 52.037 -0.040 0.000 0.763 500 A CB -0.180 18.762 19.000 -0.098 0.000 1.007 500 A HN 0.221 nan 8.150 nan 0.000 0.506 501 P HA 0.521 nan 4.420 nan 0.000 0.283 501 P C 0.748 177.675 177.300 -0.621 0.000 1.271 501 P CA 0.756 63.730 63.100 -0.210 0.000 0.841 501 P CB 1.403 33.105 31.700 0.003 0.000 1.122 502 G N -0.700 107.166 108.800 -1.557 0.000 2.299 502 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.237 502 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.237 502 G C 0.660 175.042 174.900 -0.862 0.000 1.027 502 G CA 0.386 44.643 45.100 -1.405 0.000 0.619 502 G HN 1.044 nan 8.290 nan 0.000 0.513 503 G N -0.273 108.286 108.800 -0.402 0.000 2.562 503 G HA2 0.023 3.983 3.960 -0.000 0.000 0.250 503 G HA3 0.023 3.983 3.960 -0.000 0.000 0.250 503 G C 0.645 175.521 174.900 -0.039 0.000 1.269 503 G CA 0.747 45.825 45.100 -0.036 0.000 0.919 503 G HN 1.824 nan 8.290 nan 0.000 0.574 504 M N -1.079 118.563 119.600 0.070 0.000 2.253 504 M HA -0.236 4.244 4.480 -0.000 0.000 0.195 504 M C 1.372 177.701 176.300 0.049 0.000 0.512 504 M CA 0.804 56.164 55.300 0.101 0.000 0.442 504 M CB -1.632 31.048 32.600 0.133 0.000 1.189 504 M HN 1.116 nan 8.290 nan 0.000 0.923 505 V N -2.498 117.437 119.914 0.036 0.000 2.575 505 V HA -0.091 4.029 4.120 -0.000 0.000 0.242 505 V C 1.617 177.704 176.094 -0.012 0.000 1.045 505 V CA 1.743 64.030 62.300 -0.021 0.000 1.065 505 V CB -0.232 31.579 31.823 -0.020 0.000 0.717 505 V HN 0.418 nan 8.190 nan 0.000 0.467 506 D N 0.569 120.995 120.400 0.043 0.000 2.077 506 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 506 D C 1.836 178.194 176.300 0.097 0.000 0.983 506 D CA 1.483 55.521 54.000 0.063 0.000 0.841 506 D CB -0.471 40.377 40.800 0.080 0.000 0.992 506 D HN 0.292 nan 8.370 nan 0.000 0.450 507 F N 1.860 121.801 119.950 -0.016 0.000 2.063 507 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 507 F C 2.196 177.961 175.800 -0.058 0.000 1.109 507 F CA 1.593 59.576 58.000 -0.028 0.000 1.212 507 F CB -0.338 38.656 39.000 -0.010 0.000 0.973 507 F HN -0.172 nan 8.300 nan 0.000 0.480 508 R N -0.877 119.458 120.500 -0.275 0.000 2.139 508 R HA -0.254 4.086 4.340 -0.000 0.000 0.243 508 R C 2.517 178.642 176.300 -0.291 0.000 1.145 508 R CA 1.617 57.501 56.100 -0.360 0.000 0.976 508 R CB -1.158 29.015 30.300 -0.212 0.000 0.866 508 R HN 0.528 nan 8.270 nan 0.000 0.449 509 c N -0.269 118.217 118.600 -0.190 0.000 2.602 509 c HA 0.003 4.573 4.570 -0.000 0.000 0.282 509 c C 2.527 176.525 174.090 -0.153 0.000 1.313 509 c CA 1.084 57.321 56.329 -0.153 0.000 1.699 509 c CB -0.694 41.763 42.510 -0.089 0.000 2.124 509 c HN 0.525 nan 8.230 nan 0.000 0.509 510 T N 1.674 116.170 114.554 -0.098 0.000 2.896 510 T HA -0.188 4.162 4.350 -0.000 0.000 0.270 510 T C 1.583 176.166 174.700 -0.194 0.000 1.104 510 T CA 1.662 63.721 62.100 -0.069 0.000 1.115 510 T CB -0.422 68.469 68.868 0.039 0.000 0.843 510 T HN 0.571 nan 8.240 nan 0.000 0.523 511 L N 1.187 122.209 121.223 -0.335 0.000 2.034 511 L HA -0.054 4.286 4.340 -0.000 0.000 0.203 511 L C 3.059 179.627 176.870 -0.503 0.000 1.074 511 L CA 1.551 56.042 54.840 -0.583 0.000 0.748 511 L CB -1.123 40.499 42.059 -0.729 0.000 0.905 511 L HN 0.342 nan 8.230 nan 0.000 0.439 512 T N -1.449 112.953 114.554 -0.254 0.000 2.882 512 T HA -0.244 4.106 4.350 -0.000 0.000 0.268 512 T C 1.560 176.276 174.700 0.027 0.000 1.104 512 T CA 1.374 63.454 62.100 -0.034 0.000 1.118 512 T CB -0.480 68.211 68.868 -0.295 0.000 0.831 512 T HN 0.236 nan 8.240 nan 0.000 0.529 513 L N -0.120 121.024 121.223 -0.133 0.000 2.262 513 L HA 0.120 4.460 4.340 -0.000 0.000 0.197 513 L C 3.051 179.798 176.870 -0.206 0.000 1.073 513 L CA 0.640 55.379 54.840 -0.168 0.000 0.800 513 L CB -0.515 41.346 42.059 -0.330 0.000 0.987 513 L HN 0.176 nan 8.230 nan 0.000 0.470 514 S N 0.244 115.725 115.700 -0.365 0.000 2.359 514 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 514 S C 1.891 176.461 174.600 -0.051 0.000 1.035 514 S CA 1.535 59.575 58.200 -0.268 0.000 1.018 514 S CB -0.545 62.539 63.200 -0.194 0.000 0.876 514 S HN 0.234 nan 8.310 nan 0.000 0.448 515 F N 0.384 120.230 119.950 -0.173 0.000 2.085 515 F HA -0.262 4.265 4.527 -0.000 0.000 0.299 515 F C 2.226 178.055 175.800 0.047 0.000 1.096 515 F CA 1.307 59.136 58.000 -0.285 0.000 1.227 515 F CB -0.407 38.568 39.000 -0.042 0.000 0.983 515 F HN 0.220 nan 8.300 nan 0.000 0.482 516 F N 0.184 120.320 119.950 0.310 0.000 2.234 516 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 516 F C 2.040 178.065 175.800 0.375 0.000 1.087 516 F CA 1.007 59.242 58.000 0.393 0.000 1.340 516 F CB -0.807 38.371 39.000 0.297 0.000 1.031 516 F HN -0.028 nan 8.300 nan 0.000 0.500 517 F N 1.115 120.991 119.950 -0.122 0.000 2.060 517 F HA -0.122 4.405 4.527 -0.000 0.000 0.295 517 F C 2.461 178.162 175.800 -0.164 0.000 1.120 517 F CA 1.851 59.713 58.000 -0.230 0.000 1.205 517 F CB -0.577 38.226 39.000 -0.328 0.000 0.986 517 F HN -0.244 nan 8.300 nan 0.000 0.470 518 K N -0.302 119.940 120.400 -0.263 0.000 2.107 518 K HA -0.279 4.041 4.320 -0.000 0.000 0.211 518 K C 2.050 178.611 176.600 -0.065 0.000 1.049 518 K CA 2.130 58.251 56.287 -0.278 0.000 0.927 518 K CB -0.713 31.621 32.500 -0.276 0.000 0.714 518 K HN 0.349 nan 8.250 nan 0.000 0.452 519 F N 0.754 120.656 119.950 -0.080 0.000 2.051 519 F HA -0.248 4.279 4.527 -0.000 0.000 0.296 519 F C 2.187 177.994 175.800 0.010 0.000 1.122 519 F CA 1.360 59.411 58.000 0.085 0.000 1.201 519 F CB -1.131 37.953 39.000 0.140 0.000 0.978 519 F HN 0.108 nan 8.300 nan 0.000 0.472 520 Y N 0.335 120.361 120.300 -0.456 0.000 2.102 520 Y HA -0.331 4.219 4.550 -0.000 0.000 0.280 520 Y C 2.270 178.120 175.900 -0.084 0.000 1.178 520 Y CA 2.187 60.107 58.100 -0.301 0.000 1.146 520 Y CB -0.533 37.628 38.460 -0.497 0.000 0.968 520 Y HN 0.180 nan 8.280 nan 0.000 0.504 521 L N -0.213 121.081 121.223 0.118 0.000 2.056 521 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 521 L C 2.599 179.462 176.870 -0.010 0.000 1.078 521 L CA 1.996 56.870 54.840 0.057 0.000 0.749 521 L CB -0.582 41.316 42.059 -0.269 0.000 0.901 521 L HN 0.420 nan 8.230 nan 0.000 0.433 522 T N -3.935 110.585 114.554 -0.057 0.000 3.035 522 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 522 T C 1.757 176.354 174.700 -0.171 0.000 1.109 522 T CA 0.636 62.702 62.100 -0.056 0.000 1.119 522 T CB -0.382 68.513 68.868 0.045 0.000 0.900 522 T HN 0.056 nan 8.240 nan 0.000 0.503 523 V N 1.501 121.233 119.914 -0.304 0.000 2.221 523 V HA -0.075 4.045 4.120 -0.000 0.000 0.240 523 V C 2.533 178.353 176.094 -0.457 0.000 1.041 523 V CA 1.378 63.347 62.300 -0.551 0.000 0.991 523 V CB -0.753 30.487 31.823 -0.971 0.000 0.634 523 V HN 0.455 nan 8.190 nan 0.000 0.450 524 L N -0.268 120.768 121.223 -0.311 0.000 2.179 524 L HA -0.472 3.868 4.340 -0.000 0.000 0.246 524 L C 2.668 179.453 176.870 -0.143 0.000 1.120 524 L CA 2.774 57.534 54.840 -0.133 0.000 0.846 524 L CB -1.159 40.925 42.059 0.041 0.000 0.958 524 L HN 0.583 nan 8.230 nan 0.000 0.444 525 Q N 0.111 119.852 119.800 -0.099 0.000 2.421 525 Q HA -0.238 4.102 4.340 -0.000 0.000 0.215 525 Q C 1.093 177.024 176.000 -0.115 0.000 0.994 525 Q CA 1.855 57.610 55.803 -0.080 0.000 0.909 525 Q CB -0.033 28.677 28.738 -0.047 0.000 0.920 525 Q HN 0.152 nan 8.270 nan 0.000 0.451 526 K N 0.050 120.325 120.400 -0.209 0.000 3.174 526 K HA 0.311 4.631 4.320 -0.000 0.000 0.207 526 K C -1.114 175.316 176.600 -0.284 0.000 1.190 526 K CA -0.141 55.999 56.287 -0.245 0.000 1.054 526 K CB 0.034 32.339 32.500 -0.325 0.000 1.154 526 K HN 0.241 nan 8.250 nan 0.000 0.495 527 L N -2.352 118.763 121.223 -0.180 0.000 3.409 527 L HA 0.375 4.715 4.340 -0.000 0.000 0.223 527 L C 0.640 177.461 176.870 -0.081 0.000 1.762 527 L CA -0.908 53.852 54.840 -0.133 0.000 1.764 527 L CB -0.413 41.544 42.059 -0.170 0.000 1.761 527 L HN 0.073 nan 8.230 nan 0.000 0.545 528 G N 1.047 109.802 108.800 -0.075 0.000 2.389 528 G HA2 0.317 4.277 3.960 -0.000 0.000 0.287 528 G HA3 0.317 4.277 3.960 -0.000 0.000 0.287 528 G C 0.286 175.162 174.900 -0.039 0.000 1.126 528 G CA 0.022 45.093 45.100 -0.048 0.000 1.073 528 G HN 0.444 nan 8.290 nan 0.000 0.429 529 Q N 1.887 121.673 119.800 -0.024 0.000 2.324 529 Q HA 0.058 4.398 4.340 -0.000 0.000 0.207 529 Q C 0.092 176.102 176.000 0.016 0.000 0.928 529 Q CA 0.941 56.734 55.803 -0.017 0.000 0.890 529 Q CB 0.246 28.970 28.738 -0.024 0.000 1.001 529 Q HN 0.471 nan 8.270 nan 0.000 0.517 530 E N 1.140 121.355 120.200 0.026 0.000 2.735 530 E HA -0.116 4.234 4.350 -0.000 0.000 0.333 530 E C -0.211 176.416 176.600 0.045 0.000 0.934 530 E CA 0.776 57.203 56.400 0.047 0.000 1.043 530 E CB -2.230 27.516 29.700 0.076 0.000 1.427 530 E HN 0.776 nan 8.360 nan 0.000 0.397 531 N N 1.039 119.758 118.700 0.032 0.000 2.786 531 N HA -0.211 4.529 4.740 -0.000 0.000 0.201 531 N C 1.745 177.274 175.510 0.031 0.000 1.405 531 N CA 0.869 53.936 53.050 0.029 0.000 0.959 531 N CB -0.048 38.451 38.487 0.020 0.000 1.092 531 N HN 0.386 nan 8.380 nan 0.000 0.449 532 L N 0.534 121.782 121.223 0.041 0.000 2.077 532 L HA -0.273 4.066 4.340 -0.000 0.000 0.231 532 L C 1.653 178.544 176.870 0.035 0.000 1.100 532 L CA 2.369 57.236 54.840 0.045 0.000 0.819 532 L CB -0.558 41.540 42.059 0.064 0.000 0.913 532 L HN 0.423 nan 8.230 nan 0.000 0.446 533 E N -2.485 117.736 120.200 0.035 0.000 2.655 533 E HA -0.023 4.327 4.350 -0.000 0.000 0.212 533 E C 1.106 177.728 176.600 0.036 0.000 0.927 533 E CA 0.608 57.023 56.400 0.026 0.000 1.406 533 E CB -0.120 29.588 29.700 0.014 0.000 1.385 533 E HN 0.525 nan 8.360 nan 0.000 0.748 534 D N 2.103 122.533 120.400 0.051 0.000 1.464 534 D HA -0.268 4.372 4.640 -0.000 0.000 0.625 534 D C 0.998 177.312 176.300 0.023 0.000 0.701 534 D CA 3.562 57.592 54.000 0.051 0.000 1.722 534 D CB 0.155 41.008 40.800 0.089 0.000 0.642 534 D HN 0.340 nan 8.370 nan 0.000 0.257 535 K N -3.982 116.431 120.400 0.022 0.000 2.473 535 K HA 0.306 4.626 4.320 -0.000 0.000 0.183 535 K C -0.288 176.307 176.600 -0.009 0.000 1.854 535 K CA 0.178 56.448 56.287 -0.029 0.000 1.084 535 K CB 0.735 33.187 32.500 -0.079 0.000 1.684 535 K HN 0.235 nan 8.250 nan 0.000 0.565 536 c N 1.448 120.094 118.600 0.077 0.000 2.828 536 c HA 0.305 4.875 4.570 -0.000 0.000 0.317 536 c C -0.120 174.164 174.090 0.324 0.000 1.702 536 c CA -0.409 56.022 56.329 0.172 0.000 0.999 536 c CB 0.045 42.590 42.510 0.059 0.000 1.964 536 c HN 0.594 nan 8.230 nan 0.000 0.687 537 G N 1.927 110.880 108.800 0.255 0.000 4.956 537 G HA2 0.442 4.402 3.960 -0.000 0.000 0.290 537 G HA3 0.442 4.402 3.960 -0.000 0.000 0.290 537 G C -0.474 174.535 174.900 0.181 0.000 1.352 537 G CA -0.043 45.198 45.100 0.234 0.000 0.983 537 G HN 0.424 nan 8.290 nan 0.000 0.581 538 K N 0.300 120.858 120.400 0.263 0.000 2.444 538 K HA 0.587 4.907 4.320 -0.000 0.000 0.252 538 K C -0.750 175.951 176.600 0.169 0.000 0.993 538 K CA -0.852 55.547 56.287 0.186 0.000 0.847 538 K CB 2.730 35.322 32.500 0.154 0.000 1.340 538 K HN 0.126 nan 8.250 nan 0.000 0.446 539 L N 0.307 121.605 121.223 0.124 0.000 2.755 539 L HA 0.359 4.699 4.340 -0.000 0.000 0.243 539 L C -0.246 176.676 176.870 0.087 0.000 1.579 539 L CA -0.007 54.907 54.840 0.122 0.000 1.669 539 L CB 1.139 43.274 42.059 0.126 0.000 2.294 539 L HN 0.719 nan 8.230 nan 0.000 0.588 540 D N -0.305 120.146 120.400 0.084 0.000 2.844 540 D HA 0.271 4.911 4.640 -0.000 0.000 0.271 540 D C -1.604 174.730 176.300 0.057 0.000 1.386 540 D CA 0.413 54.448 54.000 0.057 0.000 1.053 540 D CB -1.641 39.188 40.800 0.048 0.000 1.107 540 D HN 0.480 nan 8.370 nan 0.000 0.395 558 V N 3.071 123.009 119.914 0.041 0.000 3.012 558 V HA 0.626 4.746 4.120 -0.000 0.000 0.307 558 V C -1.291 174.799 176.094 -0.007 0.000 1.166 558 V CA -0.591 61.720 62.300 0.018 0.000 0.974 558 V CB 2.316 34.152 31.823 0.022 0.000 1.040 558 V HN 0.488 nan 8.190 nan 0.000 0.428 559 Q N 4.438 124.238 119.800 -0.000 0.000 2.269 559 Q HA 0.761 5.101 4.340 -0.000 0.000 0.263 559 Q C -1.359 174.685 176.000 0.073 0.000 0.983 559 Q CA -0.492 55.304 55.803 -0.012 0.000 0.777 559 Q CB 2.054 30.748 28.738 -0.075 0.000 1.273 559 Q HN 0.572 nan 8.270 nan 0.000 0.440 560 L N -0.368 120.918 121.223 0.105 0.000 2.371 560 L HA 0.931 5.271 4.340 -0.000 0.000 0.262 560 L C -0.657 176.405 176.870 0.321 0.000 1.006 560 L CA -0.999 53.990 54.840 0.250 0.000 0.818 560 L CB 0.955 43.084 42.059 0.116 0.000 1.354 560 L HN 0.609 nan 8.230 nan 0.000 0.415 561 F N -1.451 118.476 119.950 -0.038 0.000 3.168 561 F HA 0.788 5.315 4.527 -0.000 0.000 0.330 561 F C -0.796 174.986 175.800 -0.029 0.000 1.220 561 F CA -0.995 56.984 58.000 -0.035 0.000 0.960 561 F CB 1.634 40.610 39.000 -0.039 0.000 1.501 561 F HN 0.744 nan 8.300 nan 0.000 0.521 562 Q N 1.154 120.855 119.800 -0.164 0.000 2.365 562 Q HA 0.346 4.686 4.340 -0.000 0.000 0.269 562 Q C -1.473 174.377 176.000 -0.250 0.000 1.061 562 Q CA -0.751 54.922 55.803 -0.216 0.000 0.816 562 Q CB 2.467 31.173 28.738 -0.054 0.000 1.325 562 Q HN 0.647 nan 8.270 nan 0.000 0.446 563 E N 1.447 121.500 120.200 -0.245 0.000 2.366 563 E HA 0.254 4.604 4.350 -0.000 0.000 0.266 563 E C -0.865 175.684 176.600 -0.084 0.000 1.051 563 E CA -0.525 55.765 56.400 -0.183 0.000 0.884 563 E CB 1.083 30.683 29.700 -0.166 0.000 1.006 563 E HN 0.444 nan 8.360 nan 0.000 0.417 564 V N 2.686 122.569 119.914 -0.052 0.000 2.715 564 V HA 0.309 4.429 4.120 -0.000 0.000 0.299 564 V C -1.989 174.089 176.094 -0.027 0.000 1.054 564 V CA -1.840 60.446 62.300 -0.025 0.000 1.077 564 V CB 0.082 31.898 31.823 -0.012 0.000 0.972 564 V HN 0.755 nan 8.190 nan 0.000 0.484 565 P HA -0.147 nan 4.420 nan 0.000 0.259 565 P C 0.971 178.263 177.300 -0.014 0.000 1.111 565 P CA 0.619 63.711 63.100 -0.012 0.000 0.758 565 P CB 0.189 31.888 31.700 -0.003 0.000 0.693 566 K N 3.063 123.454 120.400 -0.016 0.000 2.097 566 K HA -0.238 4.082 4.320 -0.000 0.000 0.214 566 K C 2.088 178.683 176.600 -0.008 0.000 1.052 566 K CA 2.381 58.660 56.287 -0.014 0.000 0.932 566 K CB -1.080 31.412 32.500 -0.013 0.000 0.716 566 K HN 0.685 nan 8.250 nan 0.000 0.455 567 G N 2.192 110.990 108.800 -0.004 0.000 2.514 567 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 567 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 567 G C 0.759 175.660 174.900 0.001 0.000 1.198 567 G CA 1.006 46.106 45.100 0.001 0.000 0.780 567 G HN 0.627 nan 8.290 nan 0.000 0.565 568 Q N 0.621 120.421 119.800 0.000 0.000 2.386 568 Q HA 0.316 4.656 4.340 -0.000 0.000 0.282 568 Q C 0.220 176.218 176.000 -0.004 0.000 1.050 568 Q CA 0.062 55.865 55.803 -0.001 0.000 0.918 568 Q CB 0.494 29.229 28.738 -0.005 0.000 1.266 568 Q HN 0.166 nan 8.270 nan 0.000 0.423 569 S N 0.865 116.562 115.700 -0.005 0.000 2.573 569 S HA -0.038 4.432 4.470 -0.000 0.000 0.277 569 S C 0.950 175.545 174.600 -0.009 0.000 1.346 569 S CA -0.464 57.733 58.200 -0.005 0.000 1.034 569 S CB 0.601 63.798 63.200 -0.005 0.000 0.879 569 S HN 0.791 nan 8.310 nan 0.000 0.528 570 E N 2.131 122.328 120.200 -0.005 0.000 2.118 570 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 570 E C 1.741 178.335 176.600 -0.009 0.000 0.992 570 E CA 1.817 58.214 56.400 -0.005 0.000 0.804 570 E CB -0.120 29.579 29.700 -0.001 0.000 0.741 570 E HN 0.930 nan 8.360 nan 0.000 0.458 571 E N 0.611 120.801 120.200 -0.016 0.000 2.476 571 E HA -0.019 4.331 4.350 -0.000 0.000 0.199 571 E C 0.064 176.640 176.600 -0.041 0.000 1.021 571 E CA -0.145 56.239 56.400 -0.026 0.000 0.907 571 E CB 0.087 29.771 29.700 -0.028 0.000 0.974 571 E HN -0.130 nan 8.360 nan 0.000 0.489 572 D N 1.121 121.497 120.400 -0.040 0.000 2.358 572 D HA -0.019 4.621 4.640 -0.000 0.000 0.258 572 D C 0.604 176.870 176.300 -0.055 0.000 1.223 572 D CA 0.077 54.043 54.000 -0.057 0.000 0.886 572 D CB 0.962 41.729 40.800 -0.054 0.000 1.120 572 D HN 0.038 nan 8.370 nan 0.000 0.482 573 M N 2.863 122.421 119.600 -0.071 0.000 2.414 573 M HA 0.083 4.563 4.480 -0.000 0.000 0.251 573 M C 0.149 176.406 176.300 -0.072 0.000 1.116 573 M CA -0.071 55.196 55.300 -0.056 0.000 1.056 573 M CB 0.185 32.755 32.600 -0.050 0.000 1.388 573 M HN 0.170 nan 8.290 nan 0.000 0.487 574 V N 1.526 121.365 119.914 -0.124 0.000 2.694 574 V HA 0.239 4.359 4.120 -0.000 0.000 0.306 574 V C 1.579 177.624 176.094 -0.081 0.000 1.054 574 V CA 1.298 63.509 62.300 -0.149 0.000 1.161 574 V CB -0.106 31.539 31.823 -0.296 0.000 0.916 574 V HN 0.852 nan 8.190 nan 0.000 0.490 575 G N 4.038 112.811 108.800 -0.046 0.000 2.253 575 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.251 575 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.251 575 G C 0.356 175.283 174.900 0.044 0.000 0.998 575 G CA 0.168 45.270 45.100 0.002 0.000 0.621 575 G HN 0.653 nan 8.290 nan 0.000 0.524 576 R N 0.981 121.499 120.500 0.030 0.000 2.500 576 R HA 0.435 4.775 4.340 -0.000 0.000 0.275 576 R C -2.451 173.889 176.300 0.066 0.000 1.051 576 R CA -1.509 54.632 56.100 0.068 0.000 1.088 576 R CB 0.916 31.243 30.300 0.046 0.000 1.063 576 R HN 0.117 nan 8.270 nan 0.000 0.511 577 P HA 0.055 nan 4.420 nan 0.000 0.220 577 P C -0.672 176.694 177.300 0.110 0.000 1.806 577 P CA -0.272 62.862 63.100 0.056 0.000 0.976 577 P CB -0.133 31.624 31.700 0.096 0.000 1.952 578 L N 3.329 124.600 121.223 0.081 0.000 2.265 578 L HA 0.526 4.866 4.340 -0.000 0.000 0.288 578 L C -2.458 174.504 176.870 0.152 0.000 1.058 578 L CA -2.438 52.468 54.840 0.109 0.000 0.809 578 L CB 0.218 42.309 42.059 0.054 0.000 1.179 578 L HN -0.035 nan 8.230 nan 0.000 0.429 579 P HA -0.069 nan 4.420 nan 0.000 0.267 579 P C -0.403 177.005 177.300 0.180 0.000 1.200 579 P CA -0.041 63.225 63.100 0.277 0.000 0.772 579 P CB 0.234 31.975 31.700 0.069 0.000 0.855 580 H N 3.615 122.745 119.070 0.100 0.000 3.173 580 H HA -0.113 4.443 4.556 -0.000 0.000 0.241 580 H C 1.457 176.800 175.328 0.025 0.000 0.781 580 H CA 0.499 56.576 56.048 0.047 0.000 1.436 580 H CB -0.079 29.709 29.762 0.043 0.000 1.406 580 H HN 0.393 nan 8.280 nan 0.000 0.491 581 L N 3.493 124.782 121.223 0.110 0.000 2.288 581 L HA -0.339 4.001 4.340 -0.000 0.000 0.218 581 L C 1.919 178.885 176.870 0.159 0.000 1.088 581 L CA 2.115 57.013 54.840 0.098 0.000 0.786 581 L CB -0.554 41.494 42.059 -0.018 0.000 0.889 581 L HN 0.665 nan 8.230 nan 0.000 0.441 582 A N -1.986 121.019 122.820 0.308 0.000 2.508 582 A HA 0.499 4.819 4.320 -0.000 0.000 0.257 582 A C 2.053 179.647 177.584 0.016 0.000 1.226 582 A CA 0.566 52.673 52.037 0.117 0.000 0.947 582 A CB 0.060 19.122 19.000 0.103 0.000 1.079 582 A HN 0.270 nan 8.150 nan 0.000 0.531 583 A N 0.347 123.179 122.820 0.020 0.000 2.015 583 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 583 A C 1.604 179.171 177.584 -0.029 0.000 1.163 583 A CA 1.721 53.725 52.037 -0.055 0.000 0.646 583 A CB -0.262 18.718 19.000 -0.033 0.000 0.806 583 A HN 0.412 nan 8.150 nan 0.000 0.448 584 D N -0.207 120.190 120.400 -0.005 0.000 2.077 584 D HA -0.119 4.521 4.640 -0.000 0.000 0.196 584 D C 1.983 178.280 176.300 -0.006 0.000 0.986 584 D CA 1.422 55.419 54.000 -0.004 0.000 0.829 584 D CB -0.456 40.347 40.800 0.006 0.000 0.983 584 D HN 0.425 nan 8.370 nan 0.000 0.453 585 M N 0.646 120.244 119.600 -0.004 0.000 2.195 585 M HA -0.213 4.267 4.480 -0.000 0.000 0.260 585 M C 2.198 178.484 176.300 -0.022 0.000 1.066 585 M CA 1.384 56.677 55.300 -0.012 0.000 1.089 585 M CB -0.194 32.399 32.600 -0.012 0.000 1.377 585 M HN 0.043 nan 8.290 nan 0.000 0.411 586 Q N -0.467 119.315 119.800 -0.030 0.000 2.096 586 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 586 Q C 2.029 178.034 176.000 0.009 0.000 0.982 586 Q CA 1.696 57.491 55.803 -0.013 0.000 0.850 586 Q CB -0.276 28.435 28.738 -0.045 0.000 0.901 586 Q HN 0.629 nan 8.270 nan 0.000 0.422 587 A N 0.510 123.329 122.820 -0.002 0.000 2.218 587 A HA -0.002 4.318 4.320 -0.000 0.000 0.209 587 A C 1.845 179.431 177.584 0.003 0.000 1.168 587 A CA 0.890 52.932 52.037 0.008 0.000 0.804 587 A CB 0.121 19.128 19.000 0.012 0.000 0.834 587 A HN 0.304 nan 8.150 nan 0.000 0.482 588 S N -2.403 113.295 115.700 -0.004 0.000 2.554 588 S HA 0.425 4.895 4.470 -0.000 0.000 0.226 588 S C 1.366 175.954 174.600 -0.019 0.000 0.980 588 S CA 1.054 59.248 58.200 -0.010 0.000 0.939 588 S CB -0.018 63.178 63.200 -0.006 0.000 0.832 588 S HN 1.725 nan 8.310 nan 0.000 0.486 589 G N 2.483 111.274 108.800 -0.014 0.000 2.320 589 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.242 589 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.242 589 G C 0.880 175.773 174.900 -0.011 0.000 1.033 589 G CA 0.463 45.554 45.100 -0.016 0.000 0.620 589 G HN 0.664 nan 8.290 nan 0.000 0.517 590 E N 1.015 121.204 120.200 -0.019 0.000 2.170 590 E HA 0.423 4.773 4.350 -0.000 0.000 0.191 590 E C 1.580 178.153 176.600 -0.045 0.000 0.981 590 E CA 0.499 56.883 56.400 -0.026 0.000 0.830 590 E CB -0.216 29.469 29.700 -0.025 0.000 0.775 590 E HN 1.331 nan 8.360 nan 0.000 0.470 591 A N 2.810 125.592 122.820 -0.065 0.000 2.522 591 A HA 0.068 4.388 4.320 -0.000 0.000 0.275 591 A C 0.584 178.049 177.584 -0.199 0.000 1.058 591 A CA 0.118 52.063 52.037 -0.152 0.000 0.880 591 A CB -0.709 18.184 19.000 -0.178 0.000 0.946 591 A HN 0.143 nan 8.150 nan 0.000 0.526 592 V N 3.897 123.703 119.914 -0.181 0.000 2.585 592 V HA 0.113 4.233 4.120 -0.000 0.000 0.296 592 V C 0.688 176.650 176.094 -0.220 0.000 1.035 592 V CA 0.284 62.513 62.300 -0.119 0.000 1.084 592 V CB -0.592 31.180 31.823 -0.085 0.000 0.953 592 V HN 0.802 nan 8.190 nan 0.000 0.483 593 Y N 2.102 122.428 120.300 0.043 0.000 2.698 593 Y HA 0.334 4.884 4.550 -0.000 0.000 0.185 593 Y C 1.776 177.704 175.900 0.046 0.000 1.078 593 Y CA 0.998 59.147 58.100 0.082 0.000 1.571 593 Y CB -0.035 38.540 38.460 0.191 0.000 1.086 593 Y HN 0.700 nan 8.280 nan 0.000 0.487 594 C N -0.782 118.687 119.300 0.281 0.000 2.503 594 C HA 0.177 4.637 4.460 -0.000 0.000 0.344 594 C C 1.705 176.736 174.990 0.068 0.000 1.610 594 C CA 0.596 59.690 59.018 0.127 0.000 2.351 594 C CB -0.627 27.174 27.740 0.101 0.000 2.044 594 C HN 0.782 nan 8.230 nan 0.000 0.680 595 D N 1.128 121.574 120.400 0.076 0.000 2.417 595 D HA -0.046 4.594 4.640 -0.000 0.000 0.253 595 D C 0.675 177.001 176.300 0.044 0.000 1.171 595 D CA 0.921 54.952 54.000 0.051 0.000 0.984 595 D CB -0.393 40.443 40.800 0.061 0.000 0.893 595 D HN 0.540 nan 8.370 nan 0.000 0.516 596 D N -1.192 119.235 120.400 0.044 0.000 2.473 596 D HA 0.133 4.772 4.640 -0.000 0.000 0.230 596 D C 0.420 176.702 176.300 -0.031 0.000 1.097 596 D CA -0.216 53.804 54.000 0.034 0.000 0.861 596 D CB 0.471 41.332 40.800 0.100 0.000 1.114 596 D HN 0.251 nan 8.370 nan 0.000 0.500 597 I N 2.542 123.068 120.570 -0.073 0.000 2.598 597 I HA 0.107 4.277 4.170 -0.000 0.000 0.284 597 I C -1.835 174.195 176.117 -0.145 0.000 1.140 597 I CA -1.425 59.785 61.300 -0.150 0.000 1.420 597 I CB -0.229 37.623 38.000 -0.247 0.000 1.387 597 I HN -0.272 nan 8.210 nan 0.000 0.553 598 P HA -0.154 nan 4.420 nan 0.000 0.258 598 P C 0.056 177.235 177.300 -0.202 0.000 1.128 598 P CA 0.638 63.627 63.100 -0.184 0.000 0.760 598 P CB 0.156 31.713 31.700 -0.238 0.000 0.715 599 R N 4.386 124.814 120.500 -0.119 0.000 2.490 599 R HA 0.170 4.510 4.340 -0.000 0.000 0.280 599 R C -0.364 175.904 176.300 -0.053 0.000 1.077 599 R CA -0.028 56.049 56.100 -0.039 0.000 1.065 599 R CB 0.124 30.417 30.300 -0.011 0.000 1.003 599 R HN 0.359 nan 8.270 nan 0.000 0.470 600 Y N 1.013 121.297 120.300 -0.028 0.000 2.344 600 Y HA -0.005 4.545 4.550 0.000 0.000 0.330 600 Y C 1.734 177.623 175.900 -0.018 0.000 1.330 600 Y CA 0.328 58.415 58.100 -0.021 0.000 1.479 600 Y CB 0.726 39.181 38.460 -0.008 0.000 1.428 600 Y HN 0.688 nan 8.280 nan 0.000 0.544 601 E N 0.033 120.375 120.200 0.236 0.000 2.481 601 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 601 E C -0.129 176.521 176.600 0.082 0.000 1.047 601 E CA 0.718 57.183 56.400 0.107 0.000 0.867 601 E CB -0.198 29.543 29.700 0.068 0.000 0.858 601 E HN 0.677 nan 8.360 nan 0.000 0.513 602 N N 0.872 119.629 118.700 0.094 0.000 2.338 602 N HA 0.055 4.795 4.740 -0.000 0.000 0.251 602 N C -0.865 174.668 175.510 0.039 0.000 1.199 602 N CA -0.340 52.736 53.050 0.044 0.000 0.879 602 N CB 0.309 38.802 38.487 0.010 0.000 1.159 602 N HN 0.160 nan 8.380 nan 0.000 0.514 603 E N 1.170 121.412 120.200 0.071 0.000 2.259 603 E HA 0.284 4.634 4.350 -0.000 0.000 0.281 603 E C -0.556 176.068 176.600 0.040 0.000 1.027 603 E CA -0.537 55.903 56.400 0.067 0.000 0.838 603 E CB 0.826 30.606 29.700 0.133 0.000 1.066 603 E HN 0.239 nan 8.360 nan 0.000 0.401 604 L N 2.281 123.519 121.223 0.025 0.000 2.399 604 L HA 0.373 4.713 4.340 -0.000 0.000 0.265 604 L C 0.273 177.156 176.870 0.021 0.000 1.089 604 L CA -0.804 54.046 54.840 0.016 0.000 0.802 604 L CB 1.671 43.727 42.059 -0.006 0.000 1.180 604 L HN 0.419 nan 8.230 nan 0.000 0.454 605 S N 1.494 117.206 115.700 0.019 0.000 2.462 605 S HA 0.547 5.017 4.470 -0.000 0.000 0.294 605 S C -0.339 174.271 174.600 0.016 0.000 1.144 605 S CA -0.522 57.692 58.200 0.023 0.000 1.088 605 S CB 1.270 64.487 63.200 0.028 0.000 1.009 605 S HN 0.401 nan 8.310 nan 0.000 0.484 606 L N 3.660 124.896 121.223 0.021 0.000 2.492 606 L HA 0.821 5.161 4.340 -0.000 0.000 0.263 606 L C -0.439 176.449 176.870 0.030 0.000 1.062 606 L CA -0.791 54.060 54.840 0.019 0.000 0.817 606 L CB 1.269 43.340 42.059 0.020 0.000 1.441 606 L HN 0.752 nan 8.230 nan 0.000 0.493 607 R N 1.669 122.191 120.500 0.036 0.000 6.002 607 R HA 0.309 4.649 4.340 -0.000 0.000 0.245 607 R C -2.290 174.045 176.300 0.057 0.000 0.923 607 R CA -0.514 55.614 56.100 0.046 0.000 1.578 607 R CB 0.325 30.657 30.300 0.053 0.000 1.179 607 R HN 0.701 nan 8.270 nan 0.000 0.755 608 L N 1.093 122.353 121.223 0.063 0.000 2.354 608 L HA 0.911 5.251 4.340 -0.000 0.000 0.264 608 L C -1.020 175.903 176.870 0.087 0.000 1.008 608 L CA -1.134 53.753 54.840 0.079 0.000 0.819 608 L CB 2.341 44.462 42.059 0.103 0.000 1.339 608 L HN 0.237 nan 8.230 nan 0.000 0.420 609 V N 0.707 120.685 119.914 0.106 0.000 2.409 609 V HA 0.670 4.790 4.120 -0.000 0.000 0.291 609 V C 0.066 176.228 176.094 0.114 0.000 1.020 609 V CA -0.124 62.248 62.300 0.121 0.000 0.848 609 V CB 1.379 33.311 31.823 0.182 0.000 0.990 609 V HN 1.005 nan 8.190 nan 0.000 0.430 610 T N 0.277 114.893 114.554 0.104 0.000 2.912 610 T HA 0.506 4.856 4.350 -0.000 0.000 0.299 610 T C -0.133 174.635 174.700 0.112 0.000 1.052 610 T CA -0.627 61.534 62.100 0.102 0.000 0.996 610 T CB 1.656 70.578 68.868 0.091 0.000 1.070 610 T HN 0.648 nan 8.240 nan 0.000 0.465 611 S N 1.352 117.122 115.700 0.116 0.000 2.573 611 S HA 0.130 4.600 4.470 -0.000 0.000 0.297 611 S C 1.333 175.975 174.600 0.071 0.000 1.280 611 S CA 0.559 58.838 58.200 0.131 0.000 1.061 611 S CB 0.034 63.294 63.200 0.100 0.000 0.812 611 S HN 1.203 nan 8.310 nan 0.000 0.500 612 T N 3.343 117.919 114.554 0.036 0.000 3.085 612 T HA 0.381 4.731 4.350 -0.000 0.000 0.264 612 T C 0.282 174.900 174.700 -0.137 0.000 1.019 612 T CA -0.582 61.524 62.100 0.009 0.000 0.910 612 T CB 0.097 69.030 68.868 0.108 0.000 1.059 612 T HN 0.488 nan 8.240 nan 0.000 0.542 613 R N -0.108 120.210 120.500 -0.304 0.000 2.919 613 R HA 0.841 5.181 4.340 -0.000 0.000 0.260 613 R C 1.118 177.334 176.300 -0.140 0.000 1.067 613 R CA -0.397 55.530 56.100 -0.287 0.000 1.003 613 R CB 0.668 30.658 30.300 -0.516 0.000 1.192 613 R HN 0.079 nan 8.270 nan 0.000 0.488 614 A N -0.182 122.593 122.820 -0.075 0.000 1.935 614 A HA -0.025 4.295 4.320 -0.000 0.000 0.214 614 A C 0.160 177.777 177.584 0.055 0.000 1.178 614 A CA 1.312 53.347 52.037 -0.004 0.000 0.640 614 A CB -0.157 18.848 19.000 0.009 0.000 0.825 614 A HN 0.703 nan 8.150 nan 0.000 0.447 615 H N -2.217 116.826 119.070 -0.045 0.000 3.128 615 H HA 0.554 5.110 4.556 -0.000 0.000 0.336 615 H C -0.967 174.350 175.328 -0.020 0.000 1.026 615 H CA -0.022 56.019 56.048 -0.012 0.000 1.376 615 H CB 1.191 30.948 29.762 -0.007 0.000 1.882 615 H HN 0.509 nan 8.280 nan 0.000 0.479 616 A N 4.279 127.241 122.820 0.236 0.000 2.586 616 A HA 0.390 4.710 4.320 -0.000 0.000 0.291 616 A C -1.622 176.080 177.584 0.197 0.000 1.062 616 A CA -0.979 51.175 52.037 0.195 0.000 0.666 616 A CB 1.643 20.695 19.000 0.087 0.000 1.281 616 A HN 0.562 nan 8.150 nan 0.000 0.421 617 K N 0.267 120.778 120.400 0.185 0.000 2.098 617 K HA 0.675 4.995 4.320 -0.000 0.000 0.244 617 K C -0.758 175.952 176.600 0.184 0.000 1.014 617 K CA -0.495 55.884 56.287 0.154 0.000 0.917 617 K CB 0.937 33.505 32.500 0.114 0.000 1.072 617 K HN 0.794 nan 8.250 nan 0.000 0.477 618 I N 2.153 122.801 120.570 0.130 0.000 2.448 618 I HA 0.214 4.384 4.170 -0.000 0.000 0.281 618 I C 0.191 176.321 176.117 0.022 0.000 1.027 618 I CA -0.490 60.866 61.300 0.094 0.000 1.111 618 I CB 1.408 39.465 38.000 0.094 0.000 1.236 618 I HN 0.596 nan 8.210 nan 0.000 0.452 619 K N 3.851 124.244 120.400 -0.011 0.000 2.098 619 K HA 0.137 4.457 4.320 -0.000 0.000 0.203 619 K C 0.503 177.079 176.600 -0.040 0.000 1.051 619 K CA 1.165 57.444 56.287 -0.013 0.000 0.957 619 K CB 0.249 32.745 32.500 -0.006 0.000 0.738 619 K HN 0.868 nan 8.250 nan 0.000 0.447 620 S N -1.144 114.507 115.700 -0.082 0.000 2.645 620 S HA 0.401 4.871 4.470 -0.000 0.000 0.268 620 S C -1.138 173.385 174.600 -0.128 0.000 1.110 620 S CA -1.040 57.110 58.200 -0.083 0.000 0.823 620 S CB 0.900 64.063 63.200 -0.062 0.000 1.091 620 S HN -0.006 nan 8.310 nan 0.000 0.466 621 I N 1.593 122.094 120.570 -0.115 0.000 2.406 621 I HA 0.464 4.634 4.170 -0.000 0.000 0.290 621 I C -1.317 174.696 176.117 -0.173 0.000 0.999 621 I CA -0.268 60.940 61.300 -0.153 0.000 1.124 621 I CB 1.817 39.746 38.000 -0.120 0.000 1.289 621 I HN 0.732 nan 8.210 nan 0.000 0.441 622 D N 4.057 124.338 120.400 -0.198 0.000 2.462 622 D HA 0.219 4.859 4.640 -0.000 0.000 0.245 622 D C 0.503 176.665 176.300 -0.230 0.000 1.122 622 D CA -0.179 53.709 54.000 -0.187 0.000 0.864 622 D CB 1.801 42.519 40.800 -0.136 0.000 1.098 622 D HN 0.392 nan 8.370 nan 0.000 0.541 623 T N 0.940 115.341 114.554 -0.255 0.000 3.088 623 T HA -0.067 4.283 4.350 -0.000 0.000 0.259 623 T C 1.875 176.423 174.700 -0.253 0.000 1.122 623 T CA 1.307 63.226 62.100 -0.302 0.000 1.095 623 T CB 0.160 68.869 68.868 -0.265 0.000 0.930 623 T HN 0.492 nan 8.240 nan 0.000 0.508 624 S N 1.202 116.784 115.700 -0.198 0.000 2.356 624 S HA -0.120 4.350 4.470 -0.000 0.000 0.223 624 S C 1.881 176.366 174.600 -0.192 0.000 1.032 624 S CA 1.209 59.303 58.200 -0.177 0.000 1.005 624 S CB -0.456 62.667 63.200 -0.128 0.000 0.867 624 S HN 0.321 nan 8.310 nan 0.000 0.449 625 E N 1.665 121.765 120.200 -0.166 0.000 2.401 625 E HA 0.122 4.472 4.350 -0.000 0.000 0.199 625 E C 1.740 178.227 176.600 -0.188 0.000 1.023 625 E CA 0.971 57.283 56.400 -0.147 0.000 0.859 625 E CB -0.541 29.097 29.700 -0.104 0.000 0.780 625 E HN 0.698 nan 8.360 nan 0.000 0.523 626 A N 0.161 122.818 122.820 -0.271 0.000 1.942 626 A HA 0.004 4.324 4.320 -0.000 0.000 0.209 626 A C 1.700 178.854 177.584 -0.717 0.000 1.214 626 A CA 0.590 52.418 52.037 -0.348 0.000 0.686 626 A CB -0.056 18.799 19.000 -0.242 0.000 0.871 626 A HN 0.161 nan 8.150 nan 0.000 0.460 627 K N 0.701 120.547 120.400 -0.923 0.000 2.442 627 K HA -0.095 4.225 4.320 -0.000 0.000 0.199 627 K C 1.499 177.842 176.600 -0.429 0.000 1.044 627 K CA 1.108 56.823 56.287 -0.953 0.000 0.941 627 K CB -0.088 32.087 32.500 -0.541 0.000 0.759 627 K HN 0.330 nan 8.250 nan 0.000 0.472 628 K N 0.905 121.122 120.400 -0.304 0.000 2.288 628 K HA 0.012 4.332 4.320 -0.000 0.000 0.201 628 K C 0.343 176.856 176.600 -0.146 0.000 1.048 628 K CA 0.332 56.514 56.287 -0.175 0.000 0.956 628 K CB 0.208 32.630 32.500 -0.130 0.000 0.746 628 K HN -0.046 nan 8.250 nan 0.000 0.461 629 V N 3.101 122.914 119.914 -0.169 0.000 2.614 629 V HA 0.064 4.184 4.120 -0.000 0.000 0.291 629 V C -2.216 173.799 176.094 -0.132 0.000 1.049 629 V CA -1.594 60.630 62.300 -0.128 0.000 1.038 629 V CB 1.017 32.791 31.823 -0.082 0.000 0.980 629 V HN 0.083 nan 8.190 nan 0.000 0.481 630 P HA 0.185 nan 4.420 nan 0.000 0.263 630 P C 0.852 177.993 177.300 -0.264 0.000 1.195 630 P CA 1.465 64.434 63.100 -0.219 0.000 0.762 630 P CB 0.508 32.023 31.700 -0.308 0.000 0.799 631 G N 2.863 111.639 108.800 -0.040 0.000 2.205 631 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.261 631 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.261 631 G C 0.219 175.190 174.900 0.119 0.000 0.980 631 G CA -0.323 44.812 45.100 0.059 0.000 0.632 631 G HN 0.556 nan 8.290 nan 0.000 0.533 632 F N 0.585 120.511 119.950 -0.041 0.000 2.602 632 F HA 0.431 4.957 4.527 -0.000 0.000 0.367 632 F C 1.310 177.117 175.800 0.010 0.000 1.126 632 F CA 1.006 59.004 58.000 -0.004 0.000 1.321 632 F CB 1.130 40.118 39.000 -0.020 0.000 1.094 632 F HN -0.067 nan 8.300 nan 0.000 0.594 633 V N 4.409 123.945 119.914 -0.630 0.000 3.090 633 V HA 0.140 4.260 4.120 -0.000 0.000 0.237 633 V C -0.176 175.605 176.094 -0.523 0.000 1.209 633 V CA 1.075 63.149 62.300 -0.378 0.000 1.209 633 V CB 0.934 32.623 31.823 -0.223 0.000 0.971 633 V HN 1.036 nan 8.190 nan 0.000 0.477 634 C N -1.282 117.444 119.300 -0.957 0.000 3.276 634 C HA 0.487 4.947 4.460 -0.000 0.000 0.394 634 C C -1.311 173.500 174.990 -0.299 0.000 1.065 634 C CA -1.451 57.288 59.018 -0.465 0.000 1.159 634 C CB 0.196 27.846 27.740 -0.149 0.000 1.527 634 C HN 0.419 nan 8.230 nan 0.000 0.571 635 F N 4.528 124.438 119.950 -0.067 0.000 2.371 635 F HA 0.726 5.253 4.527 -0.000 0.000 0.363 635 F C -0.081 175.671 175.800 -0.080 0.000 1.122 635 F CA -0.646 57.338 58.000 -0.026 0.000 1.129 635 F CB 0.392 39.457 39.000 0.108 0.000 1.173 635 F HN 0.729 nan 8.300 nan 0.000 0.489 636 I N 5.835 126.039 120.570 -0.610 0.000 2.529 636 I HA 0.312 4.482 4.170 -0.000 0.000 0.284 636 I C -0.019 175.441 176.117 -1.096 0.000 1.082 636 I CA 0.633 61.576 61.300 -0.595 0.000 1.406 636 I CB 0.972 38.796 38.000 -0.292 0.000 1.405 636 I HN 0.745 nan 8.210 nan 0.000 0.548 637 S N 4.669 119.938 115.700 -0.719 0.000 2.705 637 S HA 0.690 5.160 4.470 -0.000 0.000 0.280 637 S C 0.539 174.948 174.600 -0.319 0.000 1.174 637 S CA -0.231 57.519 58.200 -0.749 0.000 0.823 637 S CB 0.962 63.967 63.200 -0.324 0.000 1.162 637 S HN 0.650 nan 8.310 nan 0.000 0.487 638 A N 0.121 122.870 122.820 -0.119 0.000 2.178 638 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 638 A C 1.213 178.852 177.584 0.092 0.000 1.157 638 A CA 1.428 53.551 52.037 0.144 0.000 0.689 638 A CB -0.918 18.181 19.000 0.165 0.000 0.787 638 A HN 0.757 nan 8.150 nan 0.000 0.465 639 D N -0.353 120.070 120.400 0.037 0.000 2.349 639 D HA -0.008 4.632 4.640 -0.000 0.000 0.224 639 D C 0.374 176.703 176.300 0.048 0.000 1.029 639 D CA 0.408 54.433 54.000 0.042 0.000 0.879 639 D CB 0.161 40.983 40.800 0.035 0.000 0.906 639 D HN 0.406 nan 8.370 nan 0.000 0.528 640 D N -0.256 120.179 120.400 0.059 0.000 2.454 640 D HA -0.016 4.624 4.640 -0.000 0.000 0.219 640 D C 0.834 177.188 176.300 0.091 0.000 1.081 640 D CA 0.040 54.083 54.000 0.072 0.000 0.867 640 D CB 1.483 42.311 40.800 0.046 0.000 1.054 640 D HN 0.005 nan 8.370 nan 0.000 0.500 641 V N 3.387 123.352 119.914 0.084 0.000 2.529 641 V HA 0.139 4.259 4.120 -0.000 0.000 0.292 641 V C -1.934 174.148 176.094 -0.021 0.000 1.028 641 V CA -0.807 61.510 62.300 0.029 0.000 1.074 641 V CB 1.453 33.294 31.823 0.030 0.000 0.958 641 V HN -0.076 nan 8.190 nan 0.000 0.481 642 P HA 0.332 nan 4.420 nan 0.000 0.263 642 P C 0.571 177.813 177.300 -0.097 0.000 1.448 642 P CA 0.543 63.592 63.100 -0.085 0.000 0.983 642 P CB 0.720 32.348 31.700 -0.120 0.000 1.481 643 G N -0.106 108.633 108.800 -0.103 0.000 2.446 643 G HA2 0.337 4.297 3.960 -0.000 0.000 0.202 643 G HA3 0.337 4.297 3.960 -0.000 0.000 0.202 643 G C -0.609 174.252 174.900 -0.066 0.000 1.842 643 G CA 0.108 45.151 45.100 -0.096 0.000 0.703 643 G HN 0.307 nan 8.290 nan 0.000 0.731 644 S N -0.386 115.274 115.700 -0.067 0.000 2.605 644 S HA 0.247 4.717 4.470 -0.000 0.000 0.279 644 S C -0.525 174.040 174.600 -0.060 0.000 1.166 644 S CA -0.341 57.825 58.200 -0.057 0.000 0.975 644 S CB 1.329 64.489 63.200 -0.066 0.000 1.111 644 S HN 0.378 nan 8.310 nan 0.000 0.465 645 N N 4.104 122.781 118.700 -0.038 0.000 2.383 645 N HA 0.182 4.922 4.740 -0.000 0.000 0.192 645 N C 0.074 175.558 175.510 -0.043 0.000 1.141 645 N CA 0.163 53.193 53.050 -0.033 0.000 0.851 645 N CB 0.034 38.528 38.487 0.012 0.000 0.976 645 N HN 0.729 nan 8.380 nan 0.000 0.465 646 I N -0.021 120.513 120.570 -0.060 0.000 2.390 646 I HA 0.309 4.479 4.170 -0.000 0.000 0.283 646 I C -0.144 175.901 176.117 -0.120 0.000 1.016 646 I CA -0.288 60.973 61.300 -0.066 0.000 1.151 646 I CB 1.035 39.007 38.000 -0.046 0.000 1.293 646 I HN -0.080 nan 8.210 nan 0.000 0.458 647 T N 4.248 118.720 114.554 -0.136 0.000 2.664 647 T HA 0.811 5.161 4.350 -0.000 0.000 0.232 647 T C 0.010 174.567 174.700 -0.238 0.000 0.958 647 T CA 0.291 62.240 62.100 -0.252 0.000 1.095 647 T CB 0.724 69.486 68.868 -0.178 0.000 1.938 647 T HN 1.058 nan 8.240 nan 0.000 0.536 648 G N 0.284 108.963 108.800 -0.201 0.000 2.829 648 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.628 648 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.628 648 G C 0.397 175.201 174.900 -0.159 0.000 1.412 648 G CA 0.080 45.161 45.100 -0.032 0.000 0.864 648 G HN 1.048 nan 8.290 nan 0.000 0.544 649 I N -1.576 119.034 120.570 0.067 0.000 3.854 649 I HA 0.250 4.420 4.170 -0.000 0.000 0.312 649 I C 1.535 177.692 176.117 0.067 0.000 1.273 649 I CA 0.895 62.274 61.300 0.131 0.000 1.298 649 I CB 0.221 38.372 38.000 0.251 0.000 1.071 649 I HN 0.707 nan 8.210 nan 0.000 0.428 650 C N 1.903 121.230 119.300 0.044 0.000 2.422 650 C HA 0.452 4.912 4.460 -0.000 0.000 0.301 650 C C 0.957 175.948 174.990 0.002 0.000 1.444 650 C CA -0.765 58.270 59.018 0.028 0.000 1.771 650 C CB -2.298 25.475 27.740 0.055 0.000 2.834 650 C HN 0.614 nan 8.230 nan 0.000 0.545 651 N N 1.563 120.233 118.700 -0.051 0.000 2.650 651 N HA -0.245 4.494 4.740 -0.000 0.000 0.249 651 N C 0.243 175.741 175.510 -0.020 0.000 1.155 651 N CA 1.600 54.610 53.050 -0.067 0.000 0.747 651 N CB -0.515 37.933 38.487 -0.065 0.000 1.132 651 N HN 0.748 nan 8.380 nan 0.000 0.564 652 D N 0.637 121.048 120.400 0.018 0.000 2.117 652 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 652 D C 1.221 177.532 176.300 0.018 0.000 0.987 652 D CA 1.455 55.481 54.000 0.044 0.000 0.829 652 D CB 0.125 40.987 40.800 0.103 0.000 0.961 652 D HN 0.685 nan 8.370 nan 0.000 0.460 653 E N 0.294 120.496 120.200 0.003 0.000 2.259 653 E HA 0.411 4.761 4.350 -0.000 0.000 0.257 653 E C -0.866 175.733 176.600 -0.000 0.000 0.998 653 E CA -0.966 55.434 56.400 0.000 0.000 0.866 653 E CB 1.153 30.853 29.700 0.000 0.000 1.220 653 E HN -0.086 nan 8.360 nan 0.000 0.415 654 T N 0.118 114.694 114.554 0.036 0.000 2.749 654 T HA 0.233 4.583 4.350 -0.000 0.000 0.287 654 T C 1.329 176.034 174.700 0.009 0.000 0.970 654 T CA -0.767 61.363 62.100 0.051 0.000 0.980 654 T CB 1.322 70.278 68.868 0.146 0.000 0.924 654 T HN 0.391 nan 8.240 nan 0.000 0.456 655 V N 1.765 121.628 119.914 -0.085 0.000 2.233 655 V HA -0.122 3.998 4.120 -0.000 0.000 0.252 655 V C 0.576 176.401 176.094 -0.449 0.000 1.063 655 V CA 1.469 63.603 62.300 -0.276 0.000 1.032 655 V CB -0.892 30.735 31.823 -0.328 0.000 0.645 655 V HN 0.864 nan 8.190 nan 0.000 0.446 656 F N -0.786 119.167 119.950 0.005 0.000 2.518 656 F HA 0.710 5.237 4.527 -0.000 0.000 0.323 656 F C 0.439 176.227 175.800 -0.019 0.000 1.129 656 F CA -0.735 57.252 58.000 -0.021 0.000 0.920 656 F CB 1.199 40.169 39.000 -0.051 0.000 1.160 656 F HN 0.120 nan 8.300 nan 0.000 0.440 657 A N 3.731 126.613 122.820 0.104 0.000 2.624 657 A HA 0.059 4.379 4.320 -0.000 0.000 0.231 657 A C -0.165 177.462 177.584 0.071 0.000 1.034 657 A CA 0.332 52.381 52.037 0.021 0.000 0.754 657 A CB 0.110 18.966 19.000 -0.240 0.000 0.953 657 A HN 0.770 nan 8.150 nan 0.000 0.509 658 K N 1.601 122.050 120.400 0.081 0.000 2.323 658 K HA 0.420 4.740 4.320 -0.000 0.000 0.259 658 K C -0.181 176.458 176.600 0.064 0.000 0.947 658 K CA -0.293 56.035 56.287 0.068 0.000 0.819 658 K CB 0.793 33.332 32.500 0.064 0.000 1.109 658 K HN 0.758 nan 8.250 nan 0.000 0.429 659 D N 0.969 121.402 120.400 0.055 0.000 3.177 659 D HA -0.254 4.386 4.640 -0.000 0.000 0.179 659 D C -0.528 175.816 176.300 0.074 0.000 1.613 659 D CA 2.155 56.190 54.000 0.058 0.000 2.105 659 D CB -0.495 40.337 40.800 0.054 0.000 1.351 659 D HN 0.747 nan 8.370 nan 0.000 0.417 660 K N -0.447 120.004 120.400 0.084 0.000 2.532 660 K HA 0.598 4.918 4.320 -0.000 0.000 0.265 660 K C -0.486 176.181 176.600 0.111 0.000 0.948 660 K CA -0.949 55.395 56.287 0.095 0.000 0.842 660 K CB 3.098 35.644 32.500 0.076 0.000 1.392 660 K HN 0.031 nan 8.250 nan 0.000 0.436 661 V N -0.743 119.238 119.914 0.111 0.000 2.547 661 V HA 0.518 4.638 4.120 -0.000 0.000 0.299 661 V C 0.610 176.731 176.094 0.046 0.000 1.040 661 V CA 0.254 62.672 62.300 0.196 0.000 0.913 661 V CB 1.204 33.121 31.823 0.156 0.000 0.992 661 V HN 1.094 nan 8.190 nan 0.000 0.449 662 T N 0.353 114.946 114.554 0.065 0.000 2.978 662 T HA 0.205 4.555 4.350 -0.000 0.000 0.248 662 T C 0.738 175.371 174.700 -0.112 0.000 1.018 662 T CA 0.700 62.667 62.100 -0.222 0.000 1.026 662 T CB 0.009 68.717 68.868 -0.266 0.000 1.032 662 T HN 1.390 nan 8.240 nan 0.000 0.485 663 C N 0.464 119.743 119.300 -0.034 0.000 3.119 663 C HA 0.842 5.302 4.460 -0.000 0.000 0.359 663 C C 0.682 175.704 174.990 0.052 0.000 1.486 663 C CA -0.736 58.284 59.018 0.005 0.000 1.556 663 C CB 1.111 28.842 27.740 -0.016 0.000 2.063 663 C HN 0.198 nan 8.230 nan 0.000 0.454 664 V N 2.156 122.100 119.914 0.051 0.000 2.800 664 V HA 0.559 4.679 4.120 -0.000 0.000 0.365 664 V C 1.181 177.321 176.094 0.077 0.000 1.527 664 V CA 0.920 63.250 62.300 0.051 0.000 1.623 664 V CB -1.401 30.445 31.823 0.038 0.000 1.407 664 V HN 1.867 nan 8.190 nan 0.000 0.527 665 G N 0.886 109.754 108.800 0.114 0.000 2.978 665 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.193 665 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.193 665 G C -0.058 174.941 174.900 0.165 0.000 1.038 665 G CA -0.252 44.937 45.100 0.148 0.000 1.103 665 G HN 1.015 nan 8.290 nan 0.000 0.574 666 H N -0.266 118.831 119.070 0.044 0.000 2.350 666 H HA -0.204 4.352 4.556 -0.000 0.000 0.263 666 H C 0.939 176.319 175.328 0.087 0.000 0.700 666 H CA 0.746 56.826 56.048 0.054 0.000 0.910 666 H CB 0.207 29.994 29.762 0.042 0.000 1.377 666 H HN 0.595 nan 8.280 nan 0.000 0.266 667 I N 7.773 128.433 120.570 0.150 0.000 2.517 667 I HA -0.118 4.052 4.170 -0.000 0.000 0.285 667 I C 1.645 177.794 176.117 0.053 0.000 1.106 667 I CA 0.133 61.507 61.300 0.122 0.000 1.402 667 I CB 0.482 38.588 38.000 0.177 0.000 1.399 667 I HN 0.538 nan 8.210 nan 0.000 0.535 668 I N 4.643 125.246 120.570 0.055 0.000 2.585 668 I HA 0.149 4.319 4.170 -0.000 0.000 0.254 668 I C 1.253 177.355 176.117 -0.025 0.000 1.129 668 I CA 0.576 61.891 61.300 0.025 0.000 1.455 668 I CB 0.029 38.057 38.000 0.046 0.000 1.111 668 I HN 0.828 nan 8.210 nan 0.000 0.433 669 G N -0.063 108.677 108.800 -0.100 0.000 2.341 669 G HA2 0.656 4.616 3.960 -0.000 0.000 0.299 669 G HA3 0.656 4.616 3.960 -0.000 0.000 0.299 669 G C -2.091 172.577 174.900 -0.387 0.000 1.274 669 G CA 0.074 44.725 45.100 -0.749 0.000 0.853 669 G HN 0.198 nan 8.290 nan 0.000 0.493 670 A N -1.145 121.310 122.820 -0.608 0.000 2.454 670 A HA 0.920 5.240 4.320 -0.000 0.000 0.302 670 A C -0.338 177.136 177.584 -0.185 0.000 1.079 670 A CA -0.198 51.711 52.037 -0.215 0.000 0.731 670 A CB 1.677 20.636 19.000 -0.068 0.000 1.299 670 A HN 2.040 nan 8.150 nan 0.000 0.413 671 V N -0.729 119.211 119.914 0.044 0.000 2.732 671 V HA 0.803 4.923 4.120 -0.000 0.000 0.310 671 V C -0.342 175.722 176.094 -0.050 0.000 1.053 671 V CA -0.803 61.551 62.300 0.089 0.000 0.957 671 V CB 1.373 33.325 31.823 0.215 0.000 1.018 671 V HN 0.617 nan 8.190 nan 0.000 0.452 672 V N 2.785 122.578 119.914 -0.201 0.000 2.407 672 V HA 0.867 4.987 4.120 -0.000 0.000 0.291 672 V C 0.417 176.400 176.094 -0.185 0.000 1.018 672 V CA 0.431 62.630 62.300 -0.168 0.000 0.842 672 V CB 0.803 32.522 31.823 -0.174 0.000 0.996 672 V HN 1.370 nan 8.190 nan 0.000 0.426 673 A N 3.630 126.414 122.820 -0.060 0.000 2.548 673 A HA 0.717 5.037 4.320 -0.000 0.000 0.262 673 A C 0.797 178.407 177.584 0.044 0.000 1.271 673 A CA 0.151 52.186 52.037 -0.003 0.000 0.839 673 A CB 1.059 20.121 19.000 0.102 0.000 1.381 673 A HN 0.679 nan 8.150 nan 0.000 0.468 674 D N -0.893 119.569 120.400 0.103 0.000 2.305 674 D HA 0.033 4.673 4.640 -0.000 0.000 0.206 674 D C 0.730 177.069 176.300 0.066 0.000 0.974 674 D CA 1.548 55.600 54.000 0.087 0.000 0.871 674 D CB -0.112 40.753 40.800 0.108 0.000 0.947 674 D HN 0.606 nan 8.370 nan 0.000 0.516 675 T N -2.016 112.580 114.554 0.071 0.000 2.916 675 T HA 0.439 4.789 4.350 -0.000 0.000 0.292 675 T C -2.433 172.270 174.700 0.005 0.000 1.055 675 T CA -1.814 60.270 62.100 -0.027 0.000 1.009 675 T CB 2.780 71.520 68.868 -0.213 0.000 1.118 675 T HN -0.294 nan 8.240 nan 0.000 0.497 676 P HA 0.196 nan 4.420 nan 0.000 0.249 676 P C 0.197 177.510 177.300 0.022 0.000 1.241 676 P CA 0.370 63.482 63.100 0.020 0.000 0.781 676 P CB 0.127 31.837 31.700 0.017 0.000 1.088 677 E N -1.603 118.585 120.200 -0.020 0.000 2.413 677 E HA 0.029 4.379 4.350 -0.000 0.000 0.203 677 E C 1.656 178.322 176.600 0.109 0.000 0.957 677 E CA 0.259 56.661 56.400 0.005 0.000 0.950 677 E CB -0.418 29.259 29.700 -0.039 0.000 0.957 677 E HN 0.474 nan 8.360 nan 0.000 0.497 678 H N -0.207 118.898 119.070 0.058 0.000 2.395 678 H HA -0.001 4.555 4.556 -0.000 0.000 0.299 678 H C 1.913 177.291 175.328 0.084 0.000 1.070 678 H CA 1.173 57.265 56.048 0.074 0.000 1.356 678 H CB 0.328 30.136 29.762 0.076 0.000 1.401 678 H HN 0.037 nan 8.280 nan 0.000 0.524 679 T N 0.294 114.967 114.554 0.199 0.000 2.607 679 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 679 T C 2.120 176.894 174.700 0.123 0.000 1.049 679 T CA 1.323 63.504 62.100 0.136 0.000 1.162 679 T CB -0.193 68.725 68.868 0.084 0.000 0.863 679 T HN 0.296 nan 8.240 nan 0.000 0.424 680 Q N 0.624 120.482 119.800 0.097 0.000 2.082 680 Q HA -0.181 4.159 4.340 -0.000 0.000 0.211 680 Q C 2.481 178.535 176.000 0.090 0.000 1.002 680 Q CA 1.846 57.696 55.803 0.078 0.000 0.868 680 Q CB -0.309 28.467 28.738 0.064 0.000 0.931 680 Q HN 0.603 nan 8.270 nan 0.000 0.414 681 R N -0.372 120.197 120.500 0.116 0.000 2.115 681 R HA -0.043 4.297 4.340 -0.000 0.000 0.230 681 R C 2.251 178.608 176.300 0.094 0.000 1.111 681 R CA 0.968 57.128 56.100 0.100 0.000 0.976 681 R CB -0.461 29.905 30.300 0.110 0.000 0.870 681 R HN 0.198 nan 8.270 nan 0.000 0.445 682 A N 2.212 125.119 122.820 0.144 0.000 1.828 682 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 682 A C 2.516 180.188 177.584 0.146 0.000 1.203 682 A CA 1.801 53.949 52.037 0.185 0.000 0.614 682 A CB -1.123 18.080 19.000 0.338 0.000 0.844 682 A HN 0.340 nan 8.150 nan 0.000 0.445 683 A N -1.176 121.734 122.820 0.151 0.000 2.040 683 A HA -0.448 3.872 4.320 -0.000 0.000 0.232 683 A C 2.066 179.693 177.584 0.073 0.000 1.545 683 A CA 3.285 55.391 52.037 0.115 0.000 0.720 683 A CB -0.823 18.231 19.000 0.090 0.000 0.833 683 A HN 0.740 nan 8.150 nan 0.000 0.533 684 Q N -2.338 117.495 119.800 0.055 0.000 2.084 684 Q HA 0.296 4.636 4.340 -0.000 0.000 0.194 684 Q C 1.928 177.932 176.000 0.006 0.000 0.969 684 Q CA 2.252 58.075 55.803 0.033 0.000 0.829 684 Q CB -1.034 27.727 28.738 0.037 0.000 0.904 684 Q HN 0.970 nan 8.270 nan 0.000 0.464 685 G N 0.679 109.471 108.800 -0.012 0.000 3.421 685 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.395 685 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.395 685 G C 0.496 175.347 174.900 -0.082 0.000 2.112 685 G CA 1.744 46.818 45.100 -0.044 0.000 2.383 685 G HN 0.983 nan 8.290 nan 0.000 0.919 686 V N 1.247 121.115 119.914 -0.076 0.000 2.432 686 V HA 0.677 4.797 4.120 -0.000 0.000 0.271 686 V C 0.090 176.111 176.094 -0.122 0.000 1.046 686 V CA 0.094 62.296 62.300 -0.163 0.000 0.945 686 V CB 1.350 33.013 31.823 -0.267 0.000 0.992 686 V HN 0.534 nan 8.190 nan 0.000 0.471 687 K N 8.020 128.335 120.400 -0.142 0.000 2.358 687 K HA 0.531 4.851 4.320 -0.000 0.000 0.260 687 K C -0.863 175.645 176.600 -0.155 0.000 0.956 687 K CA -0.841 55.379 56.287 -0.113 0.000 0.834 687 K CB 1.479 33.923 32.500 -0.093 0.000 1.102 687 K HN 0.871 nan 8.250 nan 0.000 0.431 688 I N 1.381 121.835 120.570 -0.192 0.000 2.603 688 I HA 0.508 4.678 4.170 -0.000 0.000 0.300 688 I C -0.681 175.136 176.117 -0.501 0.000 1.017 688 I CA -0.437 60.667 61.300 -0.326 0.000 1.098 688 I CB 1.270 39.041 38.000 -0.382 0.000 1.279 688 I HN 0.588 nan 8.210 nan 0.000 0.437 689 T N 3.178 117.450 114.554 -0.469 0.000 2.812 689 T HA 0.695 5.045 4.350 -0.000 0.000 0.282 689 T C -0.923 173.598 174.700 -0.298 0.000 0.990 689 T CA -0.441 61.445 62.100 -0.356 0.000 0.960 689 T CB 0.902 69.687 68.868 -0.138 0.000 0.948 689 T HN 0.542 nan 8.240 nan 0.000 0.438 690 Y N 0.329 120.638 120.300 0.014 0.000 2.549 690 Y HA 0.676 5.226 4.550 -0.000 0.000 0.339 690 Y C 0.493 176.408 175.900 0.024 0.000 1.053 690 Y CA -1.238 56.876 58.100 0.024 0.000 1.105 690 Y CB 1.695 40.173 38.460 0.031 0.000 1.258 690 Y HN 0.671 nan 8.280 nan 0.000 0.478 691 E N 1.672 121.995 120.200 0.205 0.000 2.222 691 E HA 0.204 4.554 4.350 -0.000 0.000 0.267 691 E C -1.613 175.055 176.600 0.114 0.000 0.884 691 E CA -0.691 55.782 56.400 0.123 0.000 0.764 691 E CB 1.771 31.520 29.700 0.083 0.000 1.169 691 E HN 0.794 nan 8.360 nan 0.000 0.413 692 E N 4.964 125.209 120.200 0.074 0.000 2.114 692 E HA 0.209 4.559 4.350 -0.000 0.000 0.266 692 E C -0.691 175.922 176.600 0.021 0.000 0.896 692 E CA -0.745 55.686 56.400 0.052 0.000 0.750 692 E CB 0.685 30.402 29.700 0.028 0.000 1.121 692 E HN 0.345 nan 8.360 nan 0.000 0.413 693 L N 5.514 126.752 121.223 0.024 0.000 2.476 693 L HA 0.273 4.613 4.340 -0.000 0.000 0.255 693 L C -1.821 174.957 176.870 -0.153 0.000 1.218 693 L CA -1.388 53.397 54.840 -0.092 0.000 0.819 693 L CB -0.367 41.571 42.059 -0.202 0.000 1.119 693 L HN 0.538 nan 8.230 nan 0.000 0.485 694 P HA 0.351 nan 4.420 nan 0.000 0.276 694 P C -1.632 175.553 177.300 -0.191 0.000 1.244 694 P CA -0.594 62.406 63.100 -0.166 0.000 0.801 694 P CB 1.185 32.806 31.700 -0.130 0.000 1.006 695 A N 2.672 125.445 122.820 -0.079 0.000 2.330 695 A HA 0.629 4.949 4.320 -0.000 0.000 0.327 695 A C -0.060 177.515 177.584 -0.016 0.000 1.155 695 A CA -0.936 51.090 52.037 -0.018 0.000 0.803 695 A CB 0.337 19.342 19.000 0.008 0.000 1.208 695 A HN 0.469 nan 8.150 nan 0.000 0.477 696 I N 3.475 124.051 120.570 0.010 0.000 2.315 696 I HA 0.277 4.447 4.170 -0.000 0.000 0.291 696 I C 0.323 176.441 176.117 0.002 0.000 1.006 696 I CA 0.131 61.432 61.300 0.002 0.000 1.265 696 I CB 1.091 39.096 38.000 0.008 0.000 1.387 696 I HN 0.725 nan 8.210 nan 0.000 0.475 697 I N 2.810 123.368 120.570 -0.020 0.000 3.818 697 I HA 0.019 4.189 4.170 -0.000 0.000 0.242 697 I C 1.354 177.437 176.117 -0.056 0.000 1.111 697 I CA 0.364 61.640 61.300 -0.040 0.000 1.576 697 I CB 0.557 38.529 38.000 -0.047 0.000 1.572 697 I HN 0.622 nan 8.210 nan 0.000 0.450 698 T N 0.993 115.510 114.554 -0.061 0.000 2.813 698 T HA 0.133 4.483 4.350 -0.000 0.000 0.297 698 T C 1.589 176.246 174.700 -0.072 0.000 1.036 698 T CA -0.438 61.614 62.100 -0.080 0.000 1.044 698 T CB 0.643 69.462 68.868 -0.082 0.000 0.993 698 T HN 0.109 nan 8.240 nan 0.000 0.535 699 I N 1.194 121.705 120.570 -0.098 0.000 2.053 699 I HA -0.133 4.037 4.170 -0.000 0.000 0.236 699 I C 1.705 177.756 176.117 -0.110 0.000 1.038 699 I CA 1.523 62.759 61.300 -0.105 0.000 1.304 699 I CB -1.490 36.405 38.000 -0.175 0.000 1.023 699 I HN 0.820 nan 8.210 nan 0.000 0.395 700 E N 2.180 122.287 120.200 -0.155 0.000 2.468 700 E HA -0.107 4.243 4.350 -0.000 0.000 0.263 700 E C 0.082 176.642 176.600 -0.066 0.000 1.192 700 E CA 0.227 56.561 56.400 -0.110 0.000 1.016 700 E CB 0.274 29.903 29.700 -0.119 0.000 0.980 700 E HN 0.363 nan 8.360 nan 0.000 0.467 701 D N 0.510 120.881 120.400 -0.049 0.000 3.685 701 D HA -0.406 4.234 4.640 -0.000 0.000 0.152 701 D C 1.250 177.538 176.300 -0.019 0.000 0.966 701 D CA 2.639 56.618 54.000 -0.036 0.000 1.085 701 D CB -1.671 39.109 40.800 -0.033 0.000 0.521 701 D HN 0.840 nan 8.370 nan 0.000 0.543 702 A N 0.239 123.062 122.820 0.006 0.000 1.413 702 A HA -0.422 3.898 4.320 -0.000 0.000 0.377 702 A C 2.228 179.850 177.584 0.063 0.000 5.302 702 A CA 4.623 56.706 52.037 0.075 0.000 1.029 702 A CB -2.015 17.065 19.000 0.135 0.000 0.656 702 A HN 0.826 nan 8.150 nan 0.000 0.516 703 I N -1.915 118.715 120.570 0.101 0.000 2.162 703 I HA -0.133 4.037 4.170 -0.000 0.000 0.238 703 I C 2.341 178.459 176.117 0.001 0.000 1.076 703 I CA 1.751 63.122 61.300 0.119 0.000 1.353 703 I CB -0.603 37.468 38.000 0.118 0.000 1.063 703 I HN 0.421 nan 8.210 nan 0.000 0.408 704 K N 1.246 121.636 120.400 -0.016 0.000 2.228 704 K HA -0.197 4.123 4.320 -0.000 0.000 0.205 704 K C 1.166 177.734 176.600 -0.052 0.000 1.045 704 K CA 1.542 57.811 56.287 -0.031 0.000 0.931 704 K CB -0.202 32.279 32.500 -0.033 0.000 0.727 704 K HN 0.452 nan 8.250 nan 0.000 0.458 705 N N 0.739 119.395 118.700 -0.074 0.000 2.203 705 N HA -0.055 4.685 4.740 -0.000 0.000 0.207 705 N C -0.683 174.723 175.510 -0.173 0.000 1.130 705 N CA -0.024 52.964 53.050 -0.102 0.000 0.861 705 N CB 0.085 38.517 38.487 -0.091 0.000 1.005 705 N HN 0.219 nan 8.380 nan 0.000 0.507 706 N N 1.082 119.635 118.700 -0.245 0.000 2.620 706 N HA -0.195 4.545 4.740 -0.000 0.000 0.293 706 N C -0.046 175.113 175.510 -0.586 0.000 1.178 706 N CA 0.029 52.782 53.050 -0.496 0.000 0.750 706 N CB -0.136 38.145 38.487 -0.344 0.000 0.949 706 N HN 0.031 nan 8.380 nan 0.000 0.555 707 S N 1.960 117.240 115.700 -0.700 0.000 2.278 707 S HA 0.374 4.844 4.470 -0.000 0.000 0.218 707 S C -0.245 174.103 174.600 -0.420 0.000 1.345 707 S CA 0.807 58.760 58.200 -0.412 0.000 1.006 707 S CB -0.106 63.088 63.200 -0.010 0.000 0.811 707 S HN 1.227 nan 8.310 nan 0.000 0.459 708 F N -1.753 118.162 119.950 -0.058 0.000 2.213 708 F HA -0.097 4.430 4.527 -0.000 0.000 0.515 708 F C -0.869 174.936 175.800 0.009 0.000 1.275 708 F CA -1.109 56.893 58.000 0.003 0.000 1.646 708 F CB -3.156 35.906 39.000 0.104 0.000 2.612 708 F HN 0.534 nan 8.300 nan 0.000 0.729 709 Y N 1.658 122.099 120.300 0.234 0.000 2.993 709 Y HA 0.109 4.659 4.550 -0.000 0.000 0.206 709 Y C 1.615 177.572 175.900 0.095 0.000 1.256 709 Y CA 2.502 60.678 58.100 0.127 0.000 0.808 709 Y CB -1.030 37.478 38.460 0.079 0.000 1.211 709 Y HN 2.244 nan 8.280 nan 0.000 0.417 710 G N 0.109 109.007 108.800 0.164 0.000 2.894 710 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.247 710 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.247 710 G C -2.370 172.590 174.900 0.100 0.000 1.442 710 G CA -0.798 44.370 45.100 0.112 0.000 0.897 710 G HN 0.526 nan 8.290 nan 0.000 0.550 711 P HA 0.413 nan 4.420 nan 0.000 0.285 711 P C 0.114 177.424 177.300 0.017 0.000 1.259 711 P CA -0.286 62.846 63.100 0.052 0.000 0.794 711 P CB 1.060 32.781 31.700 0.035 0.000 0.940 712 E N 3.039 123.254 120.200 0.025 0.000 3.025 712 E HA -0.077 4.273 4.350 -0.000 0.000 0.248 712 E C -1.002 175.591 176.600 -0.012 0.000 0.938 712 E CA 0.098 56.488 56.400 -0.017 0.000 0.958 712 E CB -0.358 29.344 29.700 0.002 0.000 0.898 712 E HN 0.273 nan 8.360 nan 0.000 0.537 713 L N 4.748 125.951 121.223 -0.034 0.000 2.395 713 L HA 0.357 4.697 4.340 -0.000 0.000 0.269 713 L C 0.257 177.172 176.870 0.076 0.000 1.133 713 L CA 0.361 55.198 54.840 -0.004 0.000 0.812 713 L CB 0.774 42.798 42.059 -0.057 0.000 1.125 713 L HN 0.749 nan 8.230 nan 0.000 0.452 714 K N 3.027 123.532 120.400 0.174 0.000 2.587 714 K HA 0.581 4.900 4.320 -0.000 0.000 0.276 714 K C -1.792 174.930 176.600 0.204 0.000 0.956 714 K CA -0.702 55.684 56.287 0.166 0.000 0.857 714 K CB 1.617 34.182 32.500 0.108 0.000 1.431 714 K HN 0.460 nan 8.250 nan 0.000 0.420 715 I N 1.121 121.793 120.570 0.169 0.000 2.608 715 I HA 0.385 4.555 4.170 -0.000 0.000 0.295 715 I C -0.782 175.435 176.117 0.165 0.000 1.049 715 I CA -0.724 60.666 61.300 0.151 0.000 1.063 715 I CB 2.351 40.450 38.000 0.164 0.000 1.248 715 I HN 0.632 nan 8.210 nan 0.000 0.424 716 E N 5.295 125.581 120.200 0.144 0.000 2.314 716 E HA 0.513 4.863 4.350 -0.000 0.000 0.272 716 E C -1.332 175.340 176.600 0.120 0.000 0.884 716 E CA -0.939 55.538 56.400 0.127 0.000 0.753 716 E CB 3.298 33.057 29.700 0.097 0.000 1.213 716 E HN 0.364 nan 8.360 nan 0.000 0.432 717 K N 1.577 122.045 120.400 0.113 0.000 2.557 717 K HA 0.470 4.790 4.320 -0.000 0.000 0.257 717 K C -0.056 176.583 176.600 0.065 0.000 0.933 717 K CA 0.316 56.659 56.287 0.094 0.000 0.820 717 K CB 1.633 34.206 32.500 0.121 0.000 1.330 717 K HN 0.711 nan 8.250 nan 0.000 0.432 718 G N 3.077 111.904 108.800 0.045 0.000 2.552 718 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.267 718 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.267 718 G C -0.686 174.232 174.900 0.031 0.000 1.174 718 G CA 0.744 45.860 45.100 0.026 0.000 0.955 718 G HN 1.143 nan 8.290 nan 0.000 0.546 719 D N -2.251 118.166 120.400 0.029 0.000 3.814 719 D HA 0.368 5.008 4.640 -0.000 0.000 0.216 719 D C 0.123 176.431 176.300 0.012 0.000 1.030 719 D CA 0.682 54.701 54.000 0.031 0.000 1.229 719 D CB -0.719 40.097 40.800 0.026 0.000 4.536 719 D HN 1.953 nan 8.370 nan 0.000 0.566 720 L N 2.519 123.758 121.223 0.027 0.000 1.355 720 L HA 0.147 4.487 4.340 -0.000 0.000 0.124 720 L C 0.927 177.887 176.870 0.150 0.000 1.354 720 L CA 0.301 55.167 54.840 0.044 0.000 1.228 720 L CB -1.467 40.642 42.059 0.083 0.000 2.529 720 L HN 0.485 nan 8.230 nan 0.000 0.476 721 K N 1.712 122.196 120.400 0.140 0.000 2.089 721 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 721 K C 1.939 178.607 176.600 0.113 0.000 1.048 721 K CA 2.262 58.632 56.287 0.138 0.000 0.926 721 K CB -0.304 32.242 32.500 0.076 0.000 0.714 721 K HN 0.443 nan 8.250 nan 0.000 0.448 722 K N -0.420 120.014 120.400 0.056 0.000 1.969 722 K HA -0.057 4.263 4.320 -0.000 0.000 0.216 722 K C 1.075 177.668 176.600 -0.012 0.000 1.048 722 K CA 1.301 57.598 56.287 0.016 0.000 0.948 722 K CB -0.788 31.709 32.500 -0.004 0.000 0.726 722 K HN 0.297 nan 8.250 nan 0.000 0.442 723 G N -0.892 107.859 108.800 -0.082 0.000 2.720 723 G HA2 0.051 4.011 3.960 -0.000 0.000 0.237 723 G HA3 0.051 4.011 3.960 -0.000 0.000 0.237 723 G C 0.052 174.857 174.900 -0.159 0.000 1.239 723 G CA 0.323 45.291 45.100 -0.221 0.000 0.847 723 G HN 0.539 nan 8.290 nan 0.000 0.593 724 F N -0.987 118.937 119.950 -0.043 0.000 2.540 724 F HA -0.388 4.139 4.527 -0.000 0.000 0.722 724 F C 2.826 178.596 175.800 -0.051 0.000 0.486 724 F CA 2.258 60.229 58.000 -0.048 0.000 0.756 724 F CB -1.537 37.441 39.000 -0.036 0.000 1.620 724 F HN 0.665 nan 8.300 nan 0.000 0.271 725 S N 0.089 115.890 115.700 0.168 0.000 2.387 725 S HA -0.218 4.252 4.470 -0.000 0.000 0.230 725 S C 1.194 175.803 174.600 0.014 0.000 1.035 725 S CA 1.909 60.146 58.200 0.062 0.000 1.014 725 S CB -0.445 62.782 63.200 0.045 0.000 0.836 725 S HN 0.693 nan 8.310 nan 0.000 0.466 726 E N 1.129 121.325 120.200 -0.008 0.000 2.465 726 E HA 0.451 4.801 4.350 -0.000 0.000 0.191 726 E C 0.288 176.850 176.600 -0.062 0.000 1.053 726 E CA 0.089 56.466 56.400 -0.039 0.000 0.869 726 E CB 0.441 30.111 29.700 -0.051 0.000 0.977 726 E HN 0.686 nan 8.360 nan 0.000 0.483 727 A N 0.361 123.144 122.820 -0.062 0.000 2.356 727 A HA 0.266 4.586 4.320 -0.000 0.000 0.323 727 A C 0.152 177.659 177.584 -0.129 0.000 1.119 727 A CA -0.704 51.271 52.037 -0.105 0.000 0.790 727 A CB 1.191 20.119 19.000 -0.119 0.000 1.273 727 A HN -0.078 nan 8.150 nan 0.000 0.452 728 D N 0.375 120.655 120.400 -0.201 0.000 2.110 728 D HA -0.013 4.627 4.640 -0.000 0.000 0.202 728 D C -0.126 175.994 176.300 -0.299 0.000 0.975 728 D CA 1.266 55.130 54.000 -0.226 0.000 0.839 728 D CB 0.204 40.856 40.800 -0.246 0.000 0.996 728 D HN 0.607 nan 8.370 nan 0.000 0.464 729 N N 0.088 118.460 118.700 -0.547 0.000 2.269 729 N HA 0.316 5.056 4.740 -0.000 0.000 0.304 729 N C -1.301 173.950 175.510 -0.433 0.000 1.072 729 N CA -0.370 52.298 53.050 -0.636 0.000 0.802 729 N CB 3.417 41.258 38.487 -1.077 0.000 1.348 729 N HN -0.190 nan 8.380 nan 0.000 0.484 730 V N 2.295 122.134 119.914 -0.125 0.000 2.409 730 V HA 0.368 4.488 4.120 -0.000 0.000 0.290 730 V C -0.407 175.748 176.094 0.101 0.000 1.017 730 V CA -0.542 61.795 62.300 0.063 0.000 0.841 730 V CB 1.444 33.314 31.823 0.079 0.000 1.003 730 V HN 0.467 nan 8.190 nan 0.000 0.426 731 V N 3.367 123.405 119.914 0.206 0.000 3.019 731 V HA 0.954 5.074 4.120 -0.000 0.000 0.317 731 V C -0.148 175.903 176.094 -0.072 0.000 1.094 731 V CA -0.688 61.653 62.300 0.068 0.000 1.000 731 V CB 2.065 33.934 31.823 0.078 0.000 1.060 731 V HN 0.776 nan 8.190 nan 0.000 0.443 732 S N 0.024 115.596 115.700 -0.213 0.000 2.561 732 S HA 0.764 5.234 4.470 -0.000 0.000 0.292 732 S C -0.322 174.052 174.600 -0.377 0.000 1.107 732 S CA 0.187 58.204 58.200 -0.305 0.000 0.969 732 S CB 0.789 63.897 63.200 -0.154 0.000 1.150 732 S HN 1.847 nan 8.310 nan 0.000 0.451 733 G N 1.995 110.400 108.800 -0.658 0.000 2.506 733 G HA2 0.639 4.599 3.960 -0.000 0.000 0.292 733 G HA3 0.639 4.599 3.960 -0.000 0.000 0.292 733 G C -2.064 172.645 174.900 -0.320 0.000 1.425 733 G CA -0.541 44.237 45.100 -0.537 0.000 0.788 733 G HN 0.640 nan 8.290 nan 0.000 0.490 734 E N -1.135 119.176 120.200 0.185 0.000 2.343 734 E HA 0.651 5.001 4.350 -0.000 0.000 0.278 734 E C -1.553 175.277 176.600 0.383 0.000 0.910 734 E CA -0.980 55.636 56.400 0.360 0.000 0.757 734 E CB 2.512 32.334 29.700 0.203 0.000 1.218 734 E HN 1.097 nan 8.360 nan 0.000 0.435 735 I N 0.855 121.647 120.570 0.370 0.000 2.827 735 I HA 0.543 4.713 4.170 -0.000 0.000 0.298 735 I C -2.209 174.097 176.117 0.316 0.000 1.235 735 I CA -0.923 60.556 61.300 0.298 0.000 1.021 735 I CB 2.136 40.284 38.000 0.247 0.000 1.259 735 I HN 0.606 nan 8.210 nan 0.000 0.427 736 Y N 6.820 127.198 120.300 0.129 0.000 2.335 736 Y HA 0.714 5.264 4.550 -0.000 0.000 0.338 736 Y C -1.034 174.911 175.900 0.074 0.000 0.977 736 Y CA -1.666 56.502 58.100 0.113 0.000 1.114 736 Y CB 1.298 39.814 38.460 0.094 0.000 1.182 736 Y HN 0.506 nan 8.280 nan 0.000 0.463 737 I N 6.153 126.613 120.570 -0.182 0.000 2.321 737 I HA 0.440 4.610 4.170 -0.000 0.000 0.291 737 I C 1.006 176.721 176.117 -0.671 0.000 0.998 737 I CA -0.969 60.117 61.300 -0.356 0.000 1.227 737 I CB 1.134 39.041 38.000 -0.155 0.000 1.368 737 I HN 0.817 nan 8.210 nan 0.000 0.466 738 G N 4.022 112.447 108.800 -0.626 0.000 2.647 738 G HA2 0.335 4.295 3.960 -0.000 0.000 0.234 738 G HA3 0.335 4.295 3.960 -0.000 0.000 0.234 738 G C 0.501 175.299 174.900 -0.170 0.000 1.252 738 G CA -0.071 44.784 45.100 -0.409 0.000 0.846 738 G HN 0.820 nan 8.290 nan 0.000 0.589 739 G N -1.055 107.710 108.800 -0.059 0.000 2.535 739 G HA2 0.518 4.478 3.960 -0.000 0.000 0.282 739 G HA3 0.518 4.478 3.960 -0.000 0.000 0.282 739 G C -0.271 174.619 174.900 -0.016 0.000 1.350 739 G CA -0.238 44.864 45.100 0.004 0.000 1.039 739 G HN 0.786 nan 8.290 nan 0.000 0.509 740 Q N -1.157 118.612 119.800 -0.052 0.000 2.386 740 Q HA 0.369 4.709 4.340 -0.000 0.000 0.274 740 Q C -1.609 174.381 176.000 -0.017 0.000 1.011 740 Q CA -0.719 55.035 55.803 -0.080 0.000 0.867 740 Q CB 2.250 30.773 28.738 -0.358 0.000 1.409 740 Q HN 0.525 nan 8.270 nan 0.000 0.395 741 E N 1.039 121.305 120.200 0.109 0.000 2.266 741 E HA 0.188 4.538 4.350 -0.000 0.000 0.277 741 E C -0.267 176.405 176.600 0.119 0.000 1.018 741 E CA 0.261 56.672 56.400 0.018 0.000 0.840 741 E CB 0.831 30.266 29.700 -0.441 0.000 1.082 741 E HN 0.708 nan 8.360 nan 0.000 0.395 742 H N 3.667 122.709 119.070 -0.047 0.000 2.357 742 H HA 0.023 4.579 4.556 -0.000 0.000 0.301 742 H C 0.007 175.027 175.328 -0.512 0.000 1.082 742 H CA 1.538 57.302 56.048 -0.473 0.000 1.342 742 H CB -0.277 28.943 29.762 -0.903 0.000 1.389 742 H HN 0.691 nan 8.280 nan 0.000 0.511 743 F N 1.001 120.649 119.950 -0.504 0.000 2.783 743 F HA -0.293 4.234 4.527 -0.000 0.000 0.222 743 F C -0.726 174.914 175.800 -0.266 0.000 1.028 743 F CA -0.564 57.222 58.000 -0.356 0.000 0.862 743 F CB -1.218 37.705 39.000 -0.129 0.000 0.744 743 F HN 0.133 nan 8.300 nan 0.000 0.850 744 Y N -0.357 119.980 120.300 0.062 0.000 2.326 744 Y HA 0.339 4.889 4.550 -0.000 0.000 0.333 744 Y C 1.017 176.918 175.900 0.003 0.000 1.240 744 Y CA -1.800 56.380 58.100 0.133 0.000 1.365 744 Y CB 0.094 38.629 38.460 0.124 0.000 1.289 744 Y HN 0.047 nan 8.280 nan 0.000 0.548 745 L N 0.192 121.536 121.223 0.202 0.000 2.044 745 L HA -0.035 4.305 4.340 -0.000 0.000 0.205 745 L C 1.097 177.739 176.870 -0.379 0.000 1.075 745 L CA 1.227 56.101 54.840 0.056 0.000 0.747 745 L CB -0.299 41.917 42.059 0.261 0.000 0.903 745 L HN 0.810 nan 8.230 nan 0.000 0.435 746 E N 0.923 120.586 120.200 -0.896 0.000 2.257 746 E HA 0.051 4.401 4.350 -0.000 0.000 0.278 746 E C 0.050 176.277 176.600 -0.621 0.000 1.049 746 E CA -0.129 55.570 56.400 -1.167 0.000 0.876 746 E CB 1.128 30.136 29.700 -1.155 0.000 1.035 746 E HN 0.099 nan 8.360 nan 0.000 0.419 747 T N 2.706 117.015 114.554 -0.409 0.000 2.833 747 T HA 0.115 4.465 4.350 -0.000 0.000 0.312 747 T C 0.465 174.953 174.700 -0.352 0.000 1.085 747 T CA -0.319 61.620 62.100 -0.267 0.000 0.955 747 T CB 0.510 69.336 68.868 -0.070 0.000 1.353 747 T HN 0.490 nan 8.240 nan 0.000 0.544 748 H N -1.230 117.689 119.070 -0.253 0.000 2.544 748 H HA 0.507 5.063 4.556 -0.000 0.000 0.365 748 H C -0.139 175.100 175.328 -0.149 0.000 1.268 748 H CA 0.009 55.915 56.048 -0.237 0.000 1.400 748 H CB 1.115 30.783 29.762 -0.157 0.000 1.538 748 H HN 0.703 nan 8.280 nan 0.000 0.597 749 C N 1.020 120.344 119.300 0.042 0.000 3.213 749 C HA 0.274 4.734 4.460 -0.000 0.000 0.424 749 C C -1.250 173.759 174.990 0.032 0.000 0.995 749 C CA -0.362 58.670 59.018 0.023 0.000 1.109 749 C CB 0.507 28.240 27.740 -0.013 0.000 1.526 749 C HN 0.850 nan 8.230 nan 0.000 0.616 750 T N 6.105 120.684 114.554 0.043 0.000 2.928 750 T HA 0.561 4.911 4.350 -0.000 0.000 0.296 750 T C -0.718 174.032 174.700 0.083 0.000 1.000 750 T CA -0.190 61.944 62.100 0.058 0.000 0.989 750 T CB 1.052 69.939 68.868 0.033 0.000 1.005 750 T HN 0.626 nan 8.240 nan 0.000 0.442 751 I N 2.619 123.273 120.570 0.139 0.000 2.392 751 I HA 0.737 4.907 4.170 -0.000 0.000 0.295 751 I C 0.150 176.398 176.117 0.219 0.000 0.985 751 I CA -0.727 60.679 61.300 0.176 0.000 1.221 751 I CB 1.465 39.599 38.000 0.224 0.000 1.366 751 I HN 0.689 nan 8.210 nan 0.000 0.467 752 A N 5.782 128.701 122.820 0.165 0.000 2.393 752 A HA 0.780 5.100 4.320 -0.000 0.000 0.306 752 A C -1.298 176.350 177.584 0.107 0.000 1.050 752 A CA -0.595 51.515 52.037 0.121 0.000 0.724 752 A CB 2.008 21.044 19.000 0.060 0.000 1.248 752 A HN 0.539 nan 8.150 nan 0.000 0.424 753 V N 2.675 122.636 119.914 0.079 0.000 2.623 753 V HA 0.835 4.955 4.120 -0.000 0.000 0.304 753 V C -3.060 173.033 176.094 -0.001 0.000 1.054 753 V CA -2.104 60.225 62.300 0.049 0.000 0.882 753 V CB 2.585 34.468 31.823 0.100 0.000 1.002 753 V HN 0.694 nan 8.190 nan 0.000 0.424 754 P HA 0.477 nan 4.420 nan 0.000 0.300 754 P C -0.026 177.254 177.300 -0.034 0.000 1.356 754 P CA -0.551 62.539 63.100 -0.017 0.000 0.823 754 P CB 1.374 33.066 31.700 -0.013 0.000 0.934 755 K N 2.371 122.759 120.400 -0.021 0.000 2.097 755 K HA -0.016 4.304 4.320 -0.000 0.000 0.205 755 K C 1.385 177.972 176.600 -0.021 0.000 1.050 755 K CA 1.242 57.516 56.287 -0.022 0.000 0.938 755 K CB -0.587 31.907 32.500 -0.010 0.000 0.718 755 K HN 0.753 nan 8.250 nan 0.000 0.442 756 G N 2.029 110.822 108.800 -0.012 0.000 2.175 756 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.244 756 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.244 756 G C -0.434 174.462 174.900 -0.007 0.000 0.982 756 G CA 0.337 45.428 45.100 -0.014 0.000 0.641 756 G HN 0.505 nan 8.290 nan 0.000 0.527 757 E N -0.652 119.547 120.200 -0.002 0.000 2.133 757 E HA 0.658 5.008 4.350 -0.000 0.000 0.274 757 E C 0.830 177.435 176.600 0.009 0.000 0.930 757 E CA -0.498 55.904 56.400 0.002 0.000 0.770 757 E CB 1.787 31.488 29.700 0.001 0.000 1.104 757 E HN 1.639 nan 8.360 nan 0.000 0.403 758 A N 3.223 126.051 122.820 0.013 0.000 2.887 758 A HA -0.189 4.131 4.320 -0.000 0.000 0.257 758 A C 1.450 179.047 177.584 0.022 0.000 1.372 758 A CA 1.177 53.224 52.037 0.016 0.000 0.879 758 A CB -2.246 16.761 19.000 0.011 0.000 1.082 758 A HN 1.814 nan 8.150 nan 0.000 0.703 759 G N -2.019 106.801 108.800 0.033 0.000 2.175 759 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.244 759 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.244 759 G C -0.084 174.836 174.900 0.033 0.000 0.982 759 G CA 0.972 46.102 45.100 0.049 0.000 0.641 759 G HN 1.303 nan 8.290 nan 0.000 0.527 760 E N -0.034 120.177 120.200 0.017 0.000 2.442 760 E HA 0.505 4.855 4.350 -0.000 0.000 0.262 760 E C 0.394 176.996 176.600 0.002 0.000 1.004 760 E CA 0.564 56.967 56.400 0.004 0.000 0.928 760 E CB 0.365 30.065 29.700 -0.000 0.000 0.937 760 E HN 0.478 nan 8.360 nan 0.000 0.446 761 M N 2.641 122.233 119.600 -0.013 0.000 2.426 761 M HA 0.221 4.701 4.480 -0.000 0.000 0.289 761 M C -1.964 174.299 176.300 -0.061 0.000 1.168 761 M CA -0.464 54.823 55.300 -0.022 0.000 0.933 761 M CB 1.980 34.578 32.600 -0.003 0.000 1.750 761 M HN 0.541 nan 8.290 nan 0.000 0.494 762 E N 3.512 123.654 120.200 -0.097 0.000 2.238 762 E HA 0.706 5.056 4.350 -0.000 0.000 0.267 762 E C -2.212 174.196 176.600 -0.319 0.000 0.887 762 E CA -0.665 55.602 56.400 -0.220 0.000 0.769 762 E CB 2.014 31.583 29.700 -0.218 0.000 1.187 762 E HN 0.638 nan 8.360 nan 0.000 0.416 763 L N 3.980 124.956 121.223 -0.412 0.000 2.408 763 L HA 0.484 4.824 4.340 -0.000 0.000 0.268 763 L C -1.334 175.340 176.870 -0.327 0.000 0.986 763 L CA -0.306 54.379 54.840 -0.258 0.000 0.820 763 L CB 1.629 43.616 42.059 -0.119 0.000 1.303 763 L HN 0.562 nan 8.230 nan 0.000 0.411 764 F N 3.125 123.083 119.950 0.012 0.000 2.366 764 F HA 0.652 5.179 4.527 0.000 0.000 0.366 764 F C -0.430 175.371 175.800 0.002 0.000 1.096 764 F CA -0.916 57.091 58.000 0.012 0.000 1.060 764 F CB 1.460 40.477 39.000 0.028 0.000 1.282 764 F HN 0.003 nan 8.300 nan 0.000 0.450 765 V N 1.153 121.137 119.914 0.118 0.000 2.577 765 V HA 0.321 4.441 4.120 -0.000 0.000 0.303 765 V C -0.004 176.092 176.094 0.002 0.000 1.042 765 V CA -0.970 61.354 62.300 0.039 0.000 0.872 765 V CB 1.793 33.611 31.823 -0.009 0.000 0.998 765 V HN 0.629 nan 8.190 nan 0.000 0.423 766 S N 3.337 119.019 115.700 -0.029 0.000 3.900 766 S HA 0.331 4.801 4.470 -0.000 0.000 0.248 766 S C 0.150 174.665 174.600 -0.141 0.000 1.310 766 S CA 0.132 58.276 58.200 -0.093 0.000 0.915 766 S CB -0.504 62.596 63.200 -0.167 0.000 1.588 766 S HN 1.025 nan 8.310 nan 0.000 0.472 767 T N 2.562 117.052 114.554 -0.106 0.000 2.906 767 T HA 0.413 4.763 4.350 -0.000 0.000 0.295 767 T C 0.728 175.361 174.700 -0.112 0.000 1.075 767 T CA -0.551 61.478 62.100 -0.118 0.000 1.005 767 T CB 1.669 70.480 68.868 -0.095 0.000 1.136 767 T HN 0.513 nan 8.240 nan 0.000 0.498 768 Q N 0.911 120.643 119.800 -0.113 0.000 2.297 768 Q HA 0.201 4.541 4.340 -0.000 0.000 0.203 768 Q C 0.381 176.337 176.000 -0.074 0.000 0.931 768 Q CA 0.203 55.952 55.803 -0.091 0.000 0.885 768 Q CB 0.232 28.917 28.738 -0.088 0.000 0.991 768 Q HN 0.435 nan 8.270 nan 0.000 0.498 769 N N 0.777 119.426 118.700 -0.085 0.000 2.500 769 N HA 0.036 4.776 4.740 -0.000 0.000 0.236 769 N C 0.010 175.452 175.510 -0.113 0.000 1.022 769 N CA 0.231 53.226 53.050 -0.093 0.000 0.935 769 N CB 1.347 39.772 38.487 -0.103 0.000 1.147 769 N HN -0.024 nan 8.380 nan 0.000 0.512 770 T N 2.641 117.139 114.554 -0.095 0.000 2.937 770 T HA 0.027 4.377 4.350 -0.000 0.000 0.260 770 T C 1.833 176.475 174.700 -0.097 0.000 1.051 770 T CA 0.752 62.796 62.100 -0.092 0.000 1.141 770 T CB 0.085 68.906 68.868 -0.078 0.000 0.879 770 T HN 0.526 nan 8.240 nan 0.000 0.459 771 M N 0.179 119.724 119.600 -0.092 0.000 2.099 771 M HA -0.052 4.428 4.480 -0.000 0.000 0.262 771 M C 2.119 178.363 176.300 -0.093 0.000 1.067 771 M CA 1.546 56.797 55.300 -0.081 0.000 1.124 771 M CB -0.006 32.553 32.600 -0.069 0.000 1.353 771 M HN 0.035 nan 8.290 nan 0.000 0.410 772 K N -0.696 119.609 120.400 -0.158 0.000 2.007 772 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 772 K C 1.914 178.265 176.600 -0.415 0.000 1.047 772 K CA 1.827 57.920 56.287 -0.324 0.000 0.937 772 K CB -1.069 31.122 32.500 -0.514 0.000 0.718 772 K HN 0.327 nan 8.250 nan 0.000 0.438 773 T N 2.146 116.503 114.554 -0.327 0.000 2.714 773 T HA -0.240 4.110 4.350 -0.000 0.000 0.268 773 T C 1.903 176.515 174.700 -0.146 0.000 1.036 773 T CA 1.813 63.765 62.100 -0.247 0.000 1.148 773 T CB -0.091 68.676 68.868 -0.168 0.000 0.856 773 T HN 0.366 nan 8.240 nan 0.000 0.462 774 Q N 0.213 119.949 119.800 -0.107 0.000 2.049 774 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 774 Q C 2.446 178.449 176.000 0.005 0.000 0.971 774 Q CA 1.757 57.528 55.803 -0.054 0.000 0.833 774 Q CB -0.059 28.647 28.738 -0.053 0.000 0.896 774 Q HN 0.612 nan 8.270 nan 0.000 0.434 775 S N 0.434 116.165 115.700 0.053 0.000 2.357 775 S HA -0.058 4.412 4.470 -0.000 0.000 0.221 775 S C 1.649 176.402 174.600 0.254 0.000 1.031 775 S CA 0.819 59.105 58.200 0.144 0.000 0.982 775 S CB -0.425 62.880 63.200 0.175 0.000 0.853 775 S HN 0.313 nan 8.310 nan 0.000 0.458 776 F N 1.824 121.745 119.950 -0.049 0.000 2.365 776 F HA 0.108 4.635 4.527 0.000 0.000 0.300 776 F C 2.360 178.120 175.800 -0.067 0.000 1.090 776 F CA -0.870 57.096 58.000 -0.055 0.000 1.408 776 F CB -1.434 37.533 39.000 -0.056 0.000 1.060 776 F HN 0.025 nan 8.300 nan 0.000 0.534 777 V N 0.335 120.325 119.914 0.128 0.000 2.237 777 V HA -0.291 3.829 4.120 -0.000 0.000 0.245 777 V C 2.701 178.802 176.094 0.012 0.000 1.046 777 V CA 1.884 64.205 62.300 0.035 0.000 1.007 777 V CB -1.319 30.500 31.823 -0.006 0.000 0.638 777 V HN 0.320 nan 8.190 nan 0.000 0.445 778 A N -0.657 122.172 122.820 0.015 0.000 1.948 778 A HA -0.319 4.001 4.320 -0.000 0.000 0.220 778 A C 2.347 179.917 177.584 -0.023 0.000 1.177 778 A CA 2.373 54.405 52.037 -0.008 0.000 0.636 778 A CB -0.578 18.420 19.000 -0.004 0.000 0.815 778 A HN 0.502 nan 8.150 nan 0.000 0.449 779 K N -1.046 119.349 120.400 -0.009 0.000 2.009 779 K HA -0.169 4.151 4.320 -0.000 0.000 0.210 779 K C 2.140 178.701 176.600 -0.066 0.000 1.049 779 K CA 1.722 57.982 56.287 -0.044 0.000 0.929 779 K CB -0.284 32.172 32.500 -0.074 0.000 0.714 779 K HN 0.507 nan 8.250 nan 0.000 0.440 780 M N 1.067 120.631 119.600 -0.060 0.000 2.213 780 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 780 M C 1.726 177.954 176.300 -0.120 0.000 1.062 780 M CA 1.391 56.640 55.300 -0.084 0.000 1.105 780 M CB -0.247 32.308 32.600 -0.074 0.000 1.385 780 M HN 0.216 nan 8.290 nan 0.000 0.417 781 L N -0.548 120.597 121.223 -0.131 0.000 2.209 781 L HA 0.072 4.412 4.340 -0.000 0.000 0.207 781 L C 1.305 178.055 176.870 -0.200 0.000 1.094 781 L CA 1.002 55.714 54.840 -0.215 0.000 0.790 781 L CB -0.399 41.560 42.059 -0.168 0.000 0.932 781 L HN 0.618 nan 8.230 nan 0.000 0.447 782 G N 0.837 109.567 108.800 -0.117 0.000 2.164 782 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.212 782 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.212 782 G C -0.071 174.794 174.900 -0.058 0.000 1.031 782 G CA 0.204 45.254 45.100 -0.084 0.000 0.730 782 G HN 0.305 nan 8.290 nan 0.000 0.501 783 V N -3.169 116.715 119.914 -0.051 0.000 3.001 783 V HA 0.973 5.093 4.120 -0.000 0.000 0.314 783 V C -1.980 174.101 176.094 -0.022 0.000 1.099 783 V CA -2.472 59.810 62.300 -0.030 0.000 0.989 783 V CB 1.890 33.700 31.823 -0.021 0.000 1.040 783 V HN 0.106 nan 8.190 nan 0.000 0.434 784 P HA 0.103 nan 4.420 nan 0.000 0.267 784 P C 0.801 178.095 177.300 -0.011 0.000 1.195 784 P CA 0.703 63.796 63.100 -0.012 0.000 0.773 784 P CB 0.645 32.340 31.700 -0.008 0.000 0.837 785 A N 2.914 125.728 122.820 -0.010 0.000 2.070 785 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 785 A C 1.505 179.082 177.584 -0.012 0.000 1.159 785 A CA 1.676 53.707 52.037 -0.009 0.000 0.656 785 A CB -1.068 17.927 19.000 -0.008 0.000 0.800 785 A HN 0.716 nan 8.150 nan 0.000 0.453 786 N N -1.201 117.493 118.700 -0.010 0.000 2.336 786 N HA -0.015 4.725 4.740 -0.000 0.000 0.189 786 N C 1.072 176.576 175.510 -0.010 0.000 1.113 786 N CA 0.161 53.205 53.050 -0.009 0.000 0.858 786 N CB -0.170 38.313 38.487 -0.005 0.000 0.970 786 N HN 0.340 nan 8.380 nan 0.000 0.471 787 R N -0.306 120.188 120.500 -0.011 0.000 2.254 787 R HA 0.218 4.558 4.340 -0.000 0.000 0.195 787 R C -0.225 176.064 176.300 -0.019 0.000 0.957 787 R CA -0.055 56.039 56.100 -0.010 0.000 1.024 787 R CB 0.040 30.337 30.300 -0.004 0.000 0.952 787 R HN 0.202 nan 8.270 nan 0.000 0.484 788 I N 1.023 121.578 120.570 -0.024 0.000 2.359 788 I HA 0.176 4.346 4.170 -0.000 0.000 0.294 788 I C -0.112 175.977 176.117 -0.048 0.000 0.987 788 I CA -1.622 59.656 61.300 -0.037 0.000 1.225 788 I CB 1.794 39.773 38.000 -0.035 0.000 1.366 788 I HN -0.341 nan 8.210 nan 0.000 0.466 789 V N 7.242 127.114 119.914 -0.071 0.000 2.495 789 V HA 0.510 4.630 4.120 -0.000 0.000 0.298 789 V C -0.327 175.685 176.094 -0.138 0.000 1.031 789 V CA -0.720 61.526 62.300 -0.091 0.000 0.871 789 V CB 2.213 33.983 31.823 -0.089 0.000 0.988 789 V HN 0.395 nan 8.190 nan 0.000 0.432 790 V N 6.955 126.797 119.914 -0.120 0.000 2.448 790 V HA 0.653 4.773 4.120 -0.000 0.000 0.295 790 V C -0.156 175.863 176.094 -0.125 0.000 1.025 790 V CA -0.688 61.531 62.300 -0.135 0.000 0.859 790 V CB 1.897 33.659 31.823 -0.103 0.000 0.988 790 V HN 0.938 nan 8.190 nan 0.000 0.431 791 R N 3.852 124.264 120.500 -0.146 0.000 2.744 791 R HA 0.888 5.228 4.340 -0.000 0.000 0.279 791 R C -1.924 174.387 176.300 0.017 0.000 0.977 791 R CA -0.829 55.235 56.100 -0.060 0.000 0.906 791 R CB 2.189 32.463 30.300 -0.043 0.000 1.197 791 R HN 0.337 nan 8.270 nan 0.000 0.463 792 V N 2.256 122.186 119.914 0.027 0.000 2.525 792 V HA 0.272 4.392 4.120 -0.000 0.000 0.299 792 V C 0.584 176.709 176.094 0.051 0.000 1.034 792 V CA -0.768 61.556 62.300 0.039 0.000 0.863 792 V CB 1.736 33.560 31.823 0.001 0.000 0.999 792 V HN 0.903 nan 8.190 nan 0.000 0.423 793 K N 3.838 124.277 120.400 0.065 0.000 2.121 793 K HA 0.277 4.597 4.320 -0.000 0.000 0.203 793 K C 0.692 177.321 176.600 0.047 0.000 1.041 793 K CA 0.533 56.848 56.287 0.047 0.000 0.969 793 K CB 0.546 33.065 32.500 0.031 0.000 0.799 793 K HN 0.819 nan 8.250 nan 0.000 0.456 794 R N -0.891 119.633 120.500 0.040 0.000 2.766 794 R HA 0.456 4.796 4.340 -0.000 0.000 0.270 794 R C -1.314 175.036 176.300 0.084 0.000 1.035 794 R CA -0.905 55.229 56.100 0.056 0.000 0.911 794 R CB 1.119 31.431 30.300 0.020 0.000 1.243 794 R HN -0.090 nan 8.270 nan 0.000 0.460 795 M N -0.081 119.573 119.600 0.089 0.000 2.550 795 M HA 0.382 4.862 4.480 -0.000 0.000 0.292 795 M C 0.467 176.800 176.300 0.055 0.000 1.221 795 M CA -0.812 54.502 55.300 0.024 0.000 0.873 795 M CB 2.636 35.172 32.600 -0.107 0.000 1.727 795 M HN 0.996 nan 8.290 nan 0.000 0.459 796 G N 0.590 109.309 108.800 -0.134 0.000 3.210 796 G HA2 0.476 4.436 3.960 -0.000 0.000 0.220 796 G HA3 0.476 4.436 3.960 -0.000 0.000 0.220 796 G C 0.388 175.217 174.900 -0.118 0.000 1.200 796 G CA 0.445 45.404 45.100 -0.235 0.000 0.834 796 G HN 1.072 nan 8.290 nan 0.000 0.524 797 G N -2.704 106.020 108.800 -0.127 0.000 2.465 797 G HA2 0.444 4.404 3.960 -0.000 0.000 0.681 797 G HA3 0.444 4.404 3.960 -0.000 0.000 0.681 797 G C 0.303 175.106 174.900 -0.163 0.000 1.340 797 G CA -0.275 44.755 45.100 -0.116 0.000 0.884 797 G HN 0.933 nan 8.290 nan 0.000 0.650 798 G N -0.878 107.701 108.800 -0.367 0.000 2.571 798 G HA2 0.499 4.459 3.960 -0.000 0.000 0.204 798 G HA3 0.499 4.459 3.960 -0.000 0.000 0.204 798 G C 0.833 175.748 174.900 0.025 0.000 1.315 798 G CA 0.928 45.937 45.100 -0.152 0.000 0.593 798 G HN 1.602 nan 8.290 nan 0.000 1.002 799 F N 1.181 121.096 119.950 -0.059 0.000 3.082 799 F HA -0.201 4.326 4.527 -0.000 0.000 0.272 799 F C 2.063 177.782 175.800 -0.135 0.000 0.936 799 F CA 0.998 58.921 58.000 -0.129 0.000 0.920 799 F CB -1.544 37.290 39.000 -0.276 0.000 0.901 799 F HN 0.902 nan 8.300 nan 0.000 0.695 800 G N -0.951 107.836 108.800 -0.021 0.000 2.458 800 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.237 800 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.237 800 G C 1.467 176.337 174.900 -0.050 0.000 1.113 800 G CA 0.553 45.634 45.100 -0.031 0.000 0.655 800 G HN 1.303 nan 8.290 nan 0.000 0.513 801 G N 0.942 109.608 108.800 -0.222 0.000 2.562 801 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.223 801 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.223 801 G C 1.304 176.089 174.900 -0.193 0.000 1.102 801 G CA 1.754 46.424 45.100 -0.715 0.000 0.742 801 G HN 0.911 nan 8.290 nan 0.000 0.587 802 K N -0.057 120.254 120.400 -0.150 0.000 2.506 802 K HA 0.338 4.658 4.320 -0.000 0.000 0.204 802 K C 1.284 177.830 176.600 -0.090 0.000 1.045 802 K CA 0.075 56.288 56.287 -0.123 0.000 1.074 802 K CB 0.605 32.921 32.500 -0.306 0.000 0.842 802 K HN 0.297 nan 8.250 nan 0.000 0.514 803 E N 1.876 122.033 120.200 -0.071 0.000 2.219 803 E HA -0.216 4.134 4.350 -0.000 0.000 0.198 803 E C 0.899 177.474 176.600 -0.042 0.000 0.998 803 E CA 2.197 58.569 56.400 -0.047 0.000 0.818 803 E CB 0.240 29.920 29.700 -0.033 0.000 0.741 803 E HN 0.488 nan 8.360 nan 0.000 0.477 804 T N -3.186 111.350 114.554 -0.030 0.000 3.254 804 T HA 0.188 4.538 4.350 -0.000 0.000 0.267 804 T C 1.668 176.341 174.700 -0.045 0.000 0.946 804 T CA -0.541 61.532 62.100 -0.045 0.000 0.991 804 T CB -0.142 68.737 68.868 0.019 0.000 1.205 804 T HN -0.087 nan 8.240 nan 0.000 0.494 805 R N 2.606 123.111 120.500 0.008 0.000 2.092 805 R HA 0.062 4.402 4.340 -0.000 0.000 0.231 805 R C 2.896 179.155 176.300 -0.068 0.000 1.119 805 R CA 1.487 57.581 56.100 -0.010 0.000 0.970 805 R CB -1.350 28.955 30.300 0.010 0.000 0.864 805 R HN 0.695 nan 8.270 nan 0.000 0.440 806 S N 0.964 116.726 115.700 0.103 0.000 2.429 806 S HA -0.318 4.152 4.470 -0.000 0.000 0.251 806 S C 2.174 176.742 174.600 -0.054 0.000 1.104 806 S CA 2.842 61.098 58.200 0.093 0.000 1.130 806 S CB -1.222 62.039 63.200 0.102 0.000 1.000 806 S HN 0.578 nan 8.310 nan 0.000 0.449 807 T N 1.359 115.849 114.554 -0.106 0.000 2.721 807 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 807 T C 1.919 176.571 174.700 -0.079 0.000 1.038 807 T CA 2.381 64.407 62.100 -0.124 0.000 1.145 807 T CB -1.505 67.226 68.868 -0.229 0.000 0.858 807 T HN 1.067 nan 8.240 nan 0.000 0.459 808 V N -0.136 119.727 119.914 -0.086 0.000 2.469 808 V HA -0.051 4.069 4.120 -0.000 0.000 0.251 808 V C 2.602 178.635 176.094 -0.102 0.000 1.064 808 V CA 1.512 63.761 62.300 -0.085 0.000 1.066 808 V CB -1.364 30.413 31.823 -0.077 0.000 0.667 808 V HN 0.431 nan 8.190 nan 0.000 0.461 809 V N 1.222 121.068 119.914 -0.114 0.000 2.255 809 V HA -0.172 3.948 4.120 -0.000 0.000 0.243 809 V C 2.870 178.935 176.094 -0.048 0.000 1.038 809 V CA 2.225 64.479 62.300 -0.077 0.000 1.008 809 V CB -0.710 31.067 31.823 -0.076 0.000 0.645 809 V HN 0.638 nan 8.190 nan 0.000 0.449 810 S N -0.303 115.370 115.700 -0.045 0.000 2.378 810 S HA -0.356 4.114 4.470 -0.000 0.000 0.229 810 S C 2.095 176.672 174.600 -0.038 0.000 1.052 810 S CA 2.349 60.529 58.200 -0.033 0.000 1.084 810 S CB -0.888 62.285 63.200 -0.045 0.000 0.950 810 S HN 0.654 nan 8.310 nan 0.000 0.440 811 T N 1.874 116.394 114.554 -0.057 0.000 2.624 811 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 811 T C 1.912 176.556 174.700 -0.093 0.000 1.041 811 T CA 1.965 64.021 62.100 -0.074 0.000 1.159 811 T CB -0.710 68.108 68.868 -0.084 0.000 0.863 811 T HN 0.486 nan 8.240 nan 0.000 0.434 812 A N 0.577 123.329 122.820 -0.112 0.000 1.845 812 A HA -0.043 4.277 4.320 -0.000 0.000 0.215 812 A C 2.586 180.195 177.584 0.042 0.000 1.195 812 A CA 2.253 54.271 52.037 -0.032 0.000 0.616 812 A CB -1.230 17.794 19.000 0.039 0.000 0.832 812 A HN 0.446 nan 8.150 nan 0.000 0.443 813 V N 0.206 120.136 119.914 0.027 0.000 2.231 813 V HA -0.342 3.778 4.120 -0.000 0.000 0.250 813 V C 3.037 179.154 176.094 0.038 0.000 1.058 813 V CA 2.405 64.726 62.300 0.036 0.000 1.022 813 V CB -1.785 30.057 31.823 0.031 0.000 0.640 813 V HN 0.685 nan 8.190 nan 0.000 0.445 814 A N 0.085 122.919 122.820 0.023 0.000 1.909 814 A HA -0.336 3.984 4.320 -0.000 0.000 0.221 814 A C 2.246 179.867 177.584 0.061 0.000 1.223 814 A CA 2.803 54.857 52.037 0.028 0.000 0.658 814 A CB -0.860 18.141 19.000 0.002 0.000 0.831 814 A HN 0.533 nan 8.150 nan 0.000 0.462 815 L N -0.718 120.542 121.223 0.062 0.000 2.046 815 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 815 L C 2.742 179.707 176.870 0.159 0.000 1.077 815 L CA 2.250 57.159 54.840 0.115 0.000 0.747 815 L CB -0.739 41.385 42.059 0.108 0.000 0.896 815 L HN 0.407 nan 8.230 nan 0.000 0.432 816 A N -0.115 122.767 122.820 0.103 0.000 1.873 816 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 816 A C 2.507 180.121 177.584 0.050 0.000 1.193 816 A CA 2.476 54.546 52.037 0.056 0.000 0.629 816 A CB -1.473 17.541 19.000 0.023 0.000 0.826 816 A HN 0.622 nan 8.150 nan 0.000 0.447 817 A N -1.190 121.664 122.820 0.056 0.000 1.869 817 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 817 A C 2.160 179.785 177.584 0.068 0.000 1.203 817 A CA 2.204 54.270 52.037 0.048 0.000 0.638 817 A CB -1.209 17.819 19.000 0.047 0.000 0.831 817 A HN 1.014 nan 8.150 nan 0.000 0.450 818 Y N 0.687 120.981 120.300 -0.010 0.000 2.102 818 Y HA -0.310 4.240 4.550 -0.000 0.000 0.280 818 Y C 2.324 178.218 175.900 -0.011 0.000 1.178 818 Y CA 2.682 60.777 58.100 -0.010 0.000 1.146 818 Y CB -0.467 37.992 38.460 -0.003 0.000 0.968 818 Y HN 0.304 nan 8.280 nan 0.000 0.504 819 K N -0.344 120.035 120.400 -0.035 0.000 1.973 819 K HA -0.134 4.186 4.320 -0.000 0.000 0.212 819 K C 2.107 178.613 176.600 -0.157 0.000 1.047 819 K CA 2.499 58.698 56.287 -0.146 0.000 0.937 819 K CB -0.669 31.849 32.500 0.029 0.000 0.721 819 K HN 0.526 nan 8.250 nan 0.000 0.440 820 T N -3.300 111.203 114.554 -0.085 0.000 3.081 820 T HA 0.188 4.538 4.350 -0.000 0.000 0.255 820 T C 1.356 176.008 174.700 -0.080 0.000 1.113 820 T CA 0.430 62.484 62.100 -0.076 0.000 1.082 820 T CB 0.050 68.886 68.868 -0.053 0.000 0.939 820 T HN 0.395 nan 8.240 nan 0.000 0.506 821 G N 2.504 111.251 108.800 -0.088 0.000 2.166 821 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 821 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 821 G C 0.061 174.921 174.900 -0.068 0.000 0.986 821 G CA 0.391 45.440 45.100 -0.085 0.000 0.683 821 G HN 0.972 nan 8.290 nan 0.000 0.527 822 R N -1.093 119.372 120.500 -0.059 0.000 2.836 822 R HA 0.744 5.084 4.340 -0.000 0.000 0.269 822 R C -3.067 173.201 176.300 -0.053 0.000 1.010 822 R CA -2.266 53.792 56.100 -0.070 0.000 0.930 822 R CB 1.182 31.446 30.300 -0.060 0.000 1.218 822 R HN 0.048 nan 8.270 nan 0.000 0.473 823 P HA 0.041 nan 4.420 nan 0.000 0.268 823 P C -0.688 176.624 177.300 0.019 0.000 1.204 823 P CA -0.171 62.912 63.100 -0.028 0.000 0.768 823 P CB 0.878 32.536 31.700 -0.069 0.000 0.842 824 V N 4.181 124.121 119.914 0.044 0.000 2.841 824 V HA 0.582 4.702 4.120 -0.000 0.000 0.310 824 V C 0.340 176.472 176.094 0.062 0.000 1.090 824 V CA -0.700 61.627 62.300 0.044 0.000 0.930 824 V CB 2.337 34.179 31.823 0.032 0.000 1.014 824 V HN 0.688 nan 8.190 nan 0.000 0.425 825 R N 2.594 123.128 120.500 0.057 0.000 2.867 825 R HA 0.943 5.283 4.340 -0.000 0.000 0.268 825 R C -1.435 174.892 176.300 0.045 0.000 1.014 825 R CA -0.486 55.651 56.100 0.061 0.000 0.946 825 R CB 1.972 32.310 30.300 0.064 0.000 1.208 825 R HN 0.813 nan 8.270 nan 0.000 0.477 826 C N 3.238 122.563 119.300 0.043 0.000 3.171 826 C HA 0.740 5.200 4.460 -0.000 0.000 0.336 826 C C -1.394 173.615 174.990 0.032 0.000 1.198 826 C CA -0.638 58.401 59.018 0.035 0.000 1.319 826 C CB 1.707 29.466 27.740 0.031 0.000 1.682 826 C HN 1.046 nan 8.230 nan 0.000 0.497 827 M N 5.803 125.420 119.600 0.028 0.000 2.371 827 M HA 0.544 5.024 4.480 -0.000 0.000 0.287 827 M C -1.784 174.529 176.300 0.022 0.000 1.149 827 M CA -0.591 54.724 55.300 0.025 0.000 0.929 827 M CB 1.704 34.318 32.600 0.024 0.000 1.683 827 M HN 0.785 nan 8.290 nan 0.000 0.470 828 L N 2.911 124.148 121.223 0.022 0.000 2.453 828 L HA 0.331 4.671 4.340 -0.000 0.000 0.261 828 L C 0.060 176.940 176.870 0.016 0.000 1.179 828 L CA -0.584 54.267 54.840 0.018 0.000 0.813 828 L CB 0.423 42.495 42.059 0.023 0.000 1.110 828 L HN 0.660 nan 8.230 nan 0.000 0.466 829 D N 0.286 120.690 120.400 0.006 0.000 2.348 829 D HA 0.112 4.752 4.640 -0.000 0.000 0.249 829 D C 0.798 177.104 176.300 0.010 0.000 1.110 829 D CA -0.387 53.617 54.000 0.007 0.000 0.967 829 D CB 1.348 42.124 40.800 -0.041 0.000 1.139 829 D HN 0.376 nan 8.370 nan 0.000 0.466 830 R N 1.002 121.524 120.500 0.037 0.000 2.070 830 R HA -0.162 4.178 4.340 -0.000 0.000 0.232 830 R C 1.705 178.018 176.300 0.023 0.000 1.138 830 R CA 1.948 58.056 56.100 0.014 0.000 0.936 830 R CB -0.224 30.087 30.300 0.019 0.000 0.839 830 R HN 0.617 nan 8.270 nan 0.000 0.429 831 D N 0.187 120.624 120.400 0.062 0.000 2.149 831 D HA -0.264 4.376 4.640 -0.000 0.000 0.194 831 D C 1.081 177.385 176.300 0.007 0.000 1.001 831 D CA 1.913 55.942 54.000 0.049 0.000 0.849 831 D CB -0.191 40.634 40.800 0.041 0.000 0.939 831 D HN 0.568 nan 8.370 nan 0.000 0.449 832 E N 0.528 120.718 120.200 -0.016 0.000 2.051 832 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 832 E C 1.961 178.566 176.600 0.008 0.000 0.991 832 E CA 1.414 57.811 56.400 -0.005 0.000 0.799 832 E CB -0.273 29.422 29.700 -0.009 0.000 0.748 832 E HN 0.458 nan 8.360 nan 0.000 0.449 833 D N 0.622 121.029 120.400 0.012 0.000 2.104 833 D HA -0.168 4.472 4.640 -0.000 0.000 0.194 833 D C 2.025 178.343 176.300 0.030 0.000 0.994 833 D CA 1.265 55.286 54.000 0.035 0.000 0.830 833 D CB 0.031 40.879 40.800 0.081 0.000 0.959 833 D HN 0.044 nan 8.370 nan 0.000 0.452 834 M N -0.537 119.064 119.600 0.002 0.000 2.296 834 M HA -0.048 4.432 4.480 -0.000 0.000 0.265 834 M C 1.781 178.094 176.300 0.021 0.000 1.064 834 M CA 0.395 55.689 55.300 -0.010 0.000 1.109 834 M CB -0.005 32.571 32.600 -0.040 0.000 1.396 834 M HN 0.222 nan 8.290 nan 0.000 0.430 835 L N 0.842 122.081 121.223 0.027 0.000 1.950 835 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 835 L C 2.113 179.016 176.870 0.055 0.000 1.079 835 L CA 1.859 56.724 54.840 0.042 0.000 0.754 835 L CB -0.665 41.417 42.059 0.038 0.000 0.889 835 L HN 0.178 nan 8.230 nan 0.000 0.433 836 I N -0.506 120.088 120.570 0.039 0.000 2.163 836 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 836 I C 2.480 178.610 176.117 0.022 0.000 1.085 836 I CA 2.162 63.481 61.300 0.031 0.000 1.347 836 I CB -1.196 36.805 38.000 0.001 0.000 1.044 836 I HN 0.576 nan 8.210 nan 0.000 0.408 837 T N -1.128 113.435 114.554 0.016 0.000 2.978 837 T HA 0.235 4.585 4.350 -0.000 0.000 0.262 837 T C 1.068 175.819 174.700 0.085 0.000 1.063 837 T CA 0.782 62.895 62.100 0.021 0.000 1.140 837 T CB -0.053 68.832 68.868 0.027 0.000 0.886 837 T HN 0.627 nan 8.240 nan 0.000 0.470 838 G N -0.425 108.442 108.800 0.112 0.000 2.730 838 G HA2 0.325 4.285 3.960 -0.000 0.000 0.686 838 G HA3 0.325 4.285 3.960 -0.000 0.000 0.686 838 G C -0.014 175.021 174.900 0.226 0.000 1.343 838 G CA -0.501 44.684 45.100 0.142 0.000 0.826 838 G HN 0.969 nan 8.290 nan 0.000 0.582 839 G N -0.804 108.127 108.800 0.217 0.000 2.753 839 G HA2 0.745 4.705 3.960 -0.000 0.000 0.285 839 G HA3 0.745 4.705 3.960 -0.000 0.000 0.285 839 G C 0.391 175.460 174.900 0.280 0.000 1.344 839 G CA -0.024 45.229 45.100 0.254 0.000 1.050 839 G HN 0.924 nan 8.290 nan 0.000 0.532 840 R N -0.625 120.006 120.500 0.218 0.000 2.697 840 R HA 0.010 4.350 4.340 -0.000 0.000 0.265 840 R C -0.511 175.895 176.300 0.176 0.000 1.009 840 R CA -0.147 56.059 56.100 0.176 0.000 1.099 840 R CB -0.035 30.172 30.300 -0.155 0.000 0.965 840 R HN 0.579 nan 8.270 nan 0.000 0.428 841 H N 4.366 123.497 119.070 0.101 0.000 2.929 841 H HA 0.156 4.712 4.556 -0.000 0.000 0.317 841 H C -1.953 173.453 175.328 0.129 0.000 1.031 841 H CA -1.140 54.958 56.048 0.083 0.000 1.466 841 H CB 0.649 30.464 29.762 0.088 0.000 1.482 841 H HN 0.462 nan 8.280 nan 0.000 0.561 842 P HA 0.288 nan 4.420 nan 0.000 0.284 842 P C -0.973 176.508 177.300 0.302 0.000 1.258 842 P CA -0.485 62.735 63.100 0.199 0.000 0.824 842 P CB 1.168 32.948 31.700 0.134 0.000 1.038 843 F N 0.569 120.624 119.950 0.175 0.000 2.576 843 F HA 0.514 5.041 4.527 -0.000 0.000 0.313 843 F C -0.524 175.513 175.800 0.395 0.000 1.078 843 F CA -1.060 57.097 58.000 0.261 0.000 0.921 843 F CB 1.975 41.086 39.000 0.185 0.000 1.232 843 F HN 0.068 nan 8.300 nan 0.000 0.459 844 L N 2.915 124.489 121.223 0.586 0.000 2.362 844 L HA 0.875 5.215 4.340 -0.000 0.000 0.275 844 L C -1.046 176.146 176.870 0.535 0.000 0.998 844 L CA -0.706 54.418 54.840 0.472 0.000 0.820 844 L CB 1.195 43.370 42.059 0.194 0.000 1.270 844 L HN 0.642 nan 8.230 nan 0.000 0.415 845 A N 5.511 128.594 122.820 0.439 0.000 2.386 845 A HA 0.890 5.210 4.320 -0.000 0.000 0.311 845 A C -0.896 176.916 177.584 0.380 0.000 1.068 845 A CA -0.796 51.479 52.037 0.397 0.000 0.743 845 A CB 1.348 20.539 19.000 0.318 0.000 1.258 845 A HN 0.670 nan 8.150 nan 0.000 0.429 846 R N 1.186 121.897 120.500 0.352 0.000 2.460 846 R HA 0.611 4.951 4.340 -0.000 0.000 0.303 846 R C -1.359 175.184 176.300 0.406 0.000 0.968 846 R CA -0.387 55.919 56.100 0.344 0.000 0.889 846 R CB 1.148 31.574 30.300 0.209 0.000 1.123 846 R HN 0.827 nan 8.270 nan 0.000 0.455 847 Y N -1.206 119.168 120.300 0.123 0.000 2.581 847 Y HA 0.628 5.178 4.550 -0.000 0.000 0.345 847 Y C -0.880 175.063 175.900 0.071 0.000 1.036 847 Y CA -1.372 56.800 58.100 0.119 0.000 1.042 847 Y CB 2.229 40.823 38.460 0.224 0.000 1.289 847 Y HN 0.355 nan 8.280 nan 0.000 0.471 848 K N 2.289 122.758 120.400 0.115 0.000 2.443 848 K HA 0.695 5.015 4.320 -0.000 0.000 0.252 848 K C -2.398 174.290 176.600 0.146 0.000 0.933 848 K CA -0.928 55.371 56.287 0.021 0.000 0.792 848 K CB 2.696 35.169 32.500 -0.044 0.000 1.185 848 K HN 0.760 nan 8.250 nan 0.000 0.425 849 V N 3.231 123.196 119.914 0.085 0.000 2.569 849 V HA 0.657 4.777 4.120 -0.000 0.000 0.301 849 V C -0.625 175.559 176.094 0.149 0.000 1.044 849 V CA -0.304 61.967 62.300 -0.049 0.000 0.874 849 V CB 1.581 33.077 31.823 -0.545 0.000 1.002 849 V HN 0.881 nan 8.190 nan 0.000 0.424 850 G N 6.070 114.889 108.800 0.033 0.000 2.356 850 G HA2 0.778 4.738 3.960 -0.000 0.000 0.322 850 G HA3 0.778 4.738 3.960 -0.000 0.000 0.322 850 G C -1.155 173.803 174.900 0.096 0.000 1.125 850 G CA -0.544 44.591 45.100 0.059 0.000 0.885 850 G HN 1.127 nan 8.290 nan 0.000 0.467 851 F N 0.462 120.322 119.950 -0.149 0.000 2.654 851 F HA 0.686 5.213 4.527 -0.000 0.000 0.308 851 F C -0.559 175.181 175.800 -0.101 0.000 1.108 851 F CA -1.850 56.061 58.000 -0.149 0.000 0.957 851 F CB 1.251 40.154 39.000 -0.161 0.000 1.309 851 F HN 0.253 nan 8.300 nan 0.000 0.446 852 M N 2.348 121.939 119.600 -0.015 0.000 2.103 852 M HA 0.249 4.729 4.480 -0.000 0.000 0.291 852 M C 1.211 177.492 176.300 -0.032 0.000 1.216 852 M CA -0.355 54.898 55.300 -0.078 0.000 1.132 852 M CB 0.863 33.440 32.600 -0.039 0.000 1.396 852 M HN 0.884 nan 8.290 nan 0.000 0.479 853 K N -0.945 119.424 120.400 -0.051 0.000 2.418 853 K HA 0.034 4.354 4.320 -0.000 0.000 0.195 853 K C 1.167 177.784 176.600 0.028 0.000 1.035 853 K CA 1.069 57.351 56.287 -0.009 0.000 1.003 853 K CB -0.636 31.842 32.500 -0.037 0.000 0.793 853 K HN 0.723 nan 8.250 nan 0.000 0.494 854 T N -1.049 113.516 114.554 0.020 0.000 2.915 854 T HA 0.040 4.390 4.350 -0.000 0.000 0.269 854 T C 1.654 176.378 174.700 0.040 0.000 1.071 854 T CA 0.968 63.082 62.100 0.022 0.000 1.132 854 T CB -0.229 68.641 68.868 0.004 0.000 0.878 854 T HN 0.509 nan 8.240 nan 0.000 0.479 855 G N 0.762 109.608 108.800 0.076 0.000 2.184 855 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.206 855 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.206 855 G C 0.148 175.072 174.900 0.040 0.000 0.995 855 G CA -0.144 45.009 45.100 0.088 0.000 0.651 855 G HN 0.643 nan 8.290 nan 0.000 0.511 856 T N 1.277 115.847 114.554 0.027 0.000 2.834 856 T HA 0.469 4.819 4.350 -0.000 0.000 0.298 856 T C 0.551 175.249 174.700 -0.005 0.000 0.966 856 T CA 0.502 62.593 62.100 -0.014 0.000 1.141 856 T CB 2.304 71.156 68.868 -0.027 0.000 0.905 856 T HN 1.252 nan 8.240 nan 0.000 0.535 857 V N 3.993 123.877 119.914 -0.051 0.000 2.716 857 V HA 0.543 4.663 4.120 -0.000 0.000 0.304 857 V C 0.245 176.282 176.094 -0.095 0.000 1.053 857 V CA -0.171 62.090 62.300 -0.064 0.000 0.984 857 V CB 1.707 33.429 31.823 -0.168 0.000 1.021 857 V HN 0.715 nan 8.190 nan 0.000 0.467 858 V N 4.303 124.140 119.914 -0.127 0.000 3.250 858 V HA 0.690 4.810 4.120 -0.000 0.000 0.240 858 V C 0.613 176.556 176.094 -0.252 0.000 1.275 858 V CA 0.813 63.013 62.300 -0.166 0.000 1.206 858 V CB 0.861 32.594 31.823 -0.150 0.000 0.976 858 V HN 1.235 nan 8.190 nan 0.000 0.467 859 A N 0.357 122.946 122.820 -0.385 0.000 2.574 859 A HA 0.823 5.143 4.320 -0.000 0.000 0.297 859 A C -2.027 175.268 177.584 -0.482 0.000 1.062 859 A CA -0.355 51.372 52.037 -0.516 0.000 0.686 859 A CB 2.133 20.576 19.000 -0.929 0.000 1.285 859 A HN 0.370 nan 8.150 nan 0.000 0.403 860 L N 0.264 121.364 121.223 -0.204 0.000 2.513 860 L HA 0.789 5.129 4.340 -0.000 0.000 0.261 860 L C -1.033 175.935 176.870 0.163 0.000 0.945 860 L CA 0.036 54.880 54.840 0.007 0.000 0.848 860 L CB 2.067 44.123 42.059 -0.004 0.000 1.334 860 L HN 0.823 nan 8.230 nan 0.000 0.407 861 E N 3.822 124.165 120.200 0.239 0.000 2.260 861 E HA 0.699 5.049 4.350 -0.000 0.000 0.266 861 E C -2.049 174.661 176.600 0.183 0.000 0.887 861 E CA -0.626 55.897 56.400 0.205 0.000 0.777 861 E CB 2.209 32.034 29.700 0.208 0.000 1.205 861 E HN 0.567 nan 8.360 nan 0.000 0.414 862 V N 3.892 123.875 119.914 0.115 0.000 2.686 862 V HA 0.306 4.426 4.120 -0.000 0.000 0.306 862 V C -1.074 174.916 176.094 -0.174 0.000 1.065 862 V CA -1.002 61.319 62.300 0.035 0.000 0.894 862 V CB 2.132 33.958 31.823 0.004 0.000 1.004 862 V HN 0.655 nan 8.190 nan 0.000 0.424 863 D N 3.191 123.493 120.400 -0.163 0.000 2.392 863 D HA 0.399 5.039 4.640 -0.000 0.000 0.228 863 D C -0.492 175.617 176.300 -0.318 0.000 1.074 863 D CA -0.301 53.544 54.000 -0.259 0.000 0.838 863 D CB 0.966 41.691 40.800 -0.125 0.000 1.067 863 D HN 0.500 nan 8.370 nan 0.000 0.511 864 H N 2.307 121.263 119.070 -0.191 0.000 2.467 864 H HA 0.451 5.007 4.556 -0.000 0.000 0.331 864 H C -0.236 174.886 175.328 -0.344 0.000 1.120 864 H CA -0.215 55.833 56.048 -0.000 0.000 1.270 864 H CB 0.981 30.855 29.762 0.188 0.000 1.466 864 H HN 0.251 nan 8.280 nan 0.000 0.504 865 F N -0.625 119.454 119.950 0.215 0.000 2.662 865 F HA 0.437 4.964 4.527 -0.000 0.000 0.312 865 F C 0.056 175.779 175.800 -0.127 0.000 1.113 865 F CA -1.688 56.308 58.000 -0.006 0.000 0.951 865 F CB 1.325 40.300 39.000 -0.041 0.000 1.344 865 F HN 0.362 nan 8.300 nan 0.000 0.462 866 S N 1.682 117.337 115.700 -0.076 0.000 2.357 866 S HA 0.219 4.689 4.470 -0.000 0.000 0.209 866 S C -1.626 172.880 174.600 -0.156 0.000 0.981 866 S CA -0.638 57.264 58.200 -0.497 0.000 1.106 866 S CB 0.079 62.936 63.200 -0.570 0.000 1.266 866 S HN 0.786 nan 8.310 nan 0.000 0.410 867 N N 4.170 122.809 118.700 -0.101 0.000 2.416 867 N HA 0.112 4.852 4.740 -0.000 0.000 0.265 867 N C 1.015 176.423 175.510 -0.169 0.000 1.195 867 N CA 0.149 53.154 53.050 -0.074 0.000 0.943 867 N CB 1.149 39.606 38.487 -0.050 0.000 1.115 867 N HN 0.452 nan 8.380 nan 0.000 0.481 868 V N 3.308 123.148 119.914 -0.123 0.000 2.535 868 V HA 0.162 4.282 4.120 -0.000 0.000 0.246 868 V C 1.468 177.426 176.094 -0.226 0.000 1.045 868 V CA 1.409 63.577 62.300 -0.220 0.000 1.058 868 V CB -1.293 30.418 31.823 -0.187 0.000 0.689 868 V HN 1.011 nan 8.190 nan 0.000 0.461 869 G N 1.365 110.102 108.800 -0.104 0.000 2.615 869 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 869 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 869 G C 0.131 175.046 174.900 0.025 0.000 1.339 869 G CA 0.099 45.167 45.100 -0.053 0.000 0.884 869 G HN 0.640 nan 8.290 nan 0.000 0.559 870 N N 0.258 118.967 118.700 0.016 0.000 2.378 870 N HA 0.397 5.137 4.740 -0.000 0.000 0.243 870 N C 0.291 175.840 175.510 0.065 0.000 1.137 870 N CA 1.171 54.250 53.050 0.049 0.000 0.862 870 N CB 0.416 38.880 38.487 -0.038 0.000 1.116 870 N HN 1.609 nan 8.380 nan 0.000 0.499 871 T N -2.686 111.916 114.554 0.080 0.000 3.003 871 T HA 0.085 4.435 4.350 -0.000 0.000 0.354 871 T C 0.227 174.854 174.700 -0.122 0.000 1.651 871 T CA -0.549 61.591 62.100 0.065 0.000 1.103 871 T CB 1.294 70.174 68.868 0.020 0.000 1.450 871 T HN 0.068 nan 8.240 nan 0.000 0.484 872 Q N 2.002 121.736 119.800 -0.111 0.000 1.967 872 Q HA 0.080 4.420 4.340 -0.000 0.000 0.202 872 Q C 0.819 176.729 176.000 -0.150 0.000 0.985 872 Q CA 2.343 57.939 55.803 -0.345 0.000 0.839 872 Q CB -0.361 28.336 28.738 -0.069 0.000 0.906 872 Q HN 0.978 nan 8.270 nan 0.000 0.423 873 D N -2.270 118.121 120.400 -0.015 0.000 3.605 873 D HA -0.294 4.346 4.640 -0.000 0.000 0.258 873 D C 0.485 176.828 176.300 0.072 0.000 1.916 873 D CA 1.496 55.528 54.000 0.054 0.000 1.155 873 D CB -1.081 39.760 40.800 0.068 0.000 0.854 873 D HN 0.212 nan 8.370 nan 0.000 1.047 874 L N -0.091 121.205 121.223 0.121 0.000 2.563 874 L HA -0.169 4.171 4.340 -0.000 0.000 0.230 874 L C 2.328 179.272 176.870 0.123 0.000 1.162 874 L CA 1.316 56.255 54.840 0.165 0.000 0.812 874 L CB -0.712 41.505 42.059 0.263 0.000 0.935 874 L HN 0.268 nan 8.230 nan 0.000 0.451 875 S N -0.585 115.159 115.700 0.073 0.000 2.407 875 S HA -0.304 4.166 4.470 -0.000 0.000 0.235 875 S C 1.901 176.471 174.600 -0.050 0.000 1.036 875 S CA 1.441 59.660 58.200 0.030 0.000 1.013 875 S CB -0.219 63.051 63.200 0.117 0.000 0.820 875 S HN 0.548 nan 8.310 nan 0.000 0.476 876 Q N 0.930 120.705 119.800 -0.042 0.000 1.990 876 Q HA -0.075 4.265 4.340 -0.000 0.000 0.200 876 Q C 2.097 178.030 176.000 -0.111 0.000 0.980 876 Q CA 1.551 57.308 55.803 -0.077 0.000 0.832 876 Q CB -0.181 28.517 28.738 -0.068 0.000 0.897 876 Q HN 0.538 nan 8.270 nan 0.000 0.427 877 S N 0.977 116.622 115.700 -0.092 0.000 2.442 877 S HA -0.102 4.368 4.470 -0.000 0.000 0.236 877 S C 1.893 176.322 174.600 -0.286 0.000 1.007 877 S CA 0.768 58.855 58.200 -0.188 0.000 0.965 877 S CB -0.202 62.893 63.200 -0.174 0.000 0.773 877 S HN 0.355 nan 8.310 nan 0.000 0.504 878 I N 0.751 121.237 120.570 -0.140 0.000 2.163 878 I HA -0.163 4.007 4.170 -0.000 0.000 0.240 878 I C 2.516 178.589 176.117 -0.073 0.000 1.081 878 I CA 1.031 62.281 61.300 -0.083 0.000 1.353 878 I CB -0.448 37.524 38.000 -0.046 0.000 1.054 878 I HN 0.310 nan 8.210 nan 0.000 0.407 879 M N 1.069 120.630 119.600 -0.066 0.000 2.108 879 M HA -0.238 4.242 4.480 -0.000 0.000 0.257 879 M C 2.126 178.363 176.300 -0.105 0.000 1.071 879 M CA 1.816 57.094 55.300 -0.037 0.000 1.093 879 M CB -0.952 31.607 32.600 -0.069 0.000 1.345 879 M HN 0.218 nan 8.290 nan 0.000 0.403 880 E N -1.194 118.898 120.200 -0.180 0.000 2.031 880 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 880 E C 2.162 178.567 176.600 -0.325 0.000 0.994 880 E CA 1.327 57.566 56.400 -0.267 0.000 0.800 880 E CB -0.375 29.174 29.700 -0.251 0.000 0.752 880 E HN 0.497 nan 8.360 nan 0.000 0.447 881 R N 0.960 121.357 120.500 -0.171 0.000 2.120 881 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 881 R C 2.252 178.584 176.300 0.054 0.000 1.123 881 R CA 1.204 57.312 56.100 0.014 0.000 0.975 881 R CB -0.196 30.031 30.300 -0.121 0.000 0.866 881 R HN 0.139 nan 8.270 nan 0.000 0.446 882 A N 1.256 124.039 122.820 -0.062 0.000 1.892 882 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 882 A C 2.159 179.690 177.584 -0.088 0.000 1.188 882 A CA 1.570 53.529 52.037 -0.131 0.000 0.631 882 A CB -0.615 18.282 19.000 -0.172 0.000 0.822 882 A HN 0.353 nan 8.150 nan 0.000 0.447 883 L N -1.902 119.264 121.223 -0.095 0.000 1.976 883 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 883 L C 2.434 179.411 176.870 0.178 0.000 1.071 883 L CA 1.538 56.385 54.840 0.013 0.000 0.746 883 L CB -0.825 41.216 42.059 -0.030 0.000 0.890 883 L HN 0.428 nan 8.230 nan 0.000 0.432 884 F N -0.646 119.321 119.950 0.029 0.000 2.304 884 F HA -0.293 4.234 4.527 -0.000 0.000 0.301 884 F C 1.617 177.348 175.800 -0.114 0.000 1.052 884 F CA 0.870 58.771 58.000 -0.165 0.000 1.389 884 F CB -0.340 38.407 39.000 -0.421 0.000 1.081 884 F HN 0.311 nan 8.300 nan 0.000 0.538 885 H N -1.540 117.716 119.070 0.309 0.000 2.785 885 H HA 0.129 4.685 4.556 -0.000 0.000 0.268 885 H C 1.766 177.116 175.328 0.036 0.000 1.153 885 H CA -0.051 56.079 56.048 0.135 0.000 1.111 885 H CB 0.046 29.768 29.762 -0.068 0.000 1.633 885 H HN 0.222 nan 8.280 nan 0.000 0.576 886 M N 0.132 119.805 119.600 0.121 0.000 2.213 886 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 886 M C 1.460 177.748 176.300 -0.021 0.000 1.062 886 M CA 1.818 57.135 55.300 0.028 0.000 1.105 886 M CB -0.139 32.523 32.600 0.103 0.000 1.385 886 M HN 0.111 nan 8.290 nan 0.000 0.417 887 D N 0.324 120.717 120.400 -0.012 0.000 2.221 887 D HA -0.223 4.417 4.640 -0.000 0.000 0.204 887 D C 1.033 177.406 176.300 0.121 0.000 0.982 887 D CA 1.388 55.443 54.000 0.092 0.000 0.857 887 D CB -0.609 40.309 40.800 0.196 0.000 0.934 887 D HN 0.587 nan 8.370 nan 0.000 0.475 888 N N -0.266 118.475 118.700 0.068 0.000 1.758 888 N HA -0.296 4.444 4.740 -0.000 0.000 0.152 888 N C -0.061 175.445 175.510 -0.007 0.000 0.558 888 N CA 3.114 56.174 53.050 0.017 0.000 1.229 888 N CB -1.385 37.065 38.487 -0.062 0.000 1.337 888 N HN 0.459 nan 8.380 nan 0.000 0.432 889 C N -0.681 118.431 119.300 -0.313 0.000 2.976 889 C HA 0.470 4.930 4.460 -0.000 0.000 0.274 889 C C -0.700 174.288 174.990 -0.004 0.000 1.487 889 C CA -0.799 58.152 59.018 -0.111 0.000 1.789 889 C CB -1.723 25.898 27.740 -0.198 0.000 2.771 889 C HN 0.367 nan 8.230 nan 0.000 0.551 890 Y N 2.162 122.585 120.300 0.205 0.000 2.331 890 Y HA 0.394 4.944 4.550 -0.000 0.000 0.338 890 Y C 0.628 176.078 175.900 -0.749 0.000 0.992 890 Y CA -0.802 57.201 58.100 -0.161 0.000 1.121 890 Y CB 0.968 39.408 38.460 -0.034 0.000 1.184 890 Y HN 0.104 nan 8.280 nan 0.000 0.469 891 K N 4.481 124.375 120.400 -0.843 0.000 2.205 891 K HA 0.586 4.906 4.320 -0.000 0.000 0.279 891 K C -1.072 175.326 176.600 -0.336 0.000 1.027 891 K CA -0.450 55.315 56.287 -0.870 0.000 0.932 891 K CB 1.481 33.566 32.500 -0.692 0.000 1.032 891 K HN 0.943 nan 8.250 nan 0.000 0.466 892 I N 4.663 125.101 120.570 -0.219 0.000 2.552 892 I HA 0.116 4.286 4.170 -0.000 0.000 0.253 892 I C -2.505 173.575 176.117 -0.062 0.000 1.386 892 I CA -1.087 60.153 61.300 -0.100 0.000 1.057 892 I CB 1.723 39.702 38.000 -0.035 0.000 1.451 892 I HN 0.534 nan 8.210 nan 0.000 0.483 893 P HA 0.155 nan 4.420 nan 0.000 0.245 893 P C -0.906 176.376 177.300 -0.030 0.000 1.206 893 P CA 0.586 63.657 63.100 -0.049 0.000 0.781 893 P CB 0.105 31.768 31.700 -0.062 0.000 0.994 894 N N 0.622 119.295 118.700 -0.045 0.000 2.519 894 N HA 0.429 5.169 4.740 -0.000 0.000 0.291 894 N C -1.318 174.174 175.510 -0.029 0.000 1.107 894 N CA -0.425 52.605 53.050 -0.034 0.000 0.904 894 N CB 2.375 40.819 38.487 -0.072 0.000 1.500 894 N HN -0.075 nan 8.380 nan 0.000 0.510 895 I N 0.923 121.513 120.570 0.033 0.000 2.685 895 I HA 0.316 4.486 4.170 -0.000 0.000 0.289 895 I C -1.691 174.490 176.117 0.105 0.000 1.292 895 I CA -0.480 60.859 61.300 0.065 0.000 1.050 895 I CB 2.344 40.381 38.000 0.062 0.000 1.301 895 I HN 0.478 nan 8.210 nan 0.000 0.425 896 R N 5.512 126.083 120.500 0.119 0.000 2.473 896 R HA 0.657 4.997 4.340 -0.000 0.000 0.303 896 R C -1.150 175.216 176.300 0.110 0.000 1.002 896 R CA -0.507 55.664 56.100 0.119 0.000 0.884 896 R CB 1.829 32.198 30.300 0.116 0.000 1.173 896 R HN 0.788 nan 8.270 nan 0.000 0.464 897 G N 1.942 110.815 108.800 0.122 0.000 2.590 897 G HA2 0.484 4.444 3.960 -0.000 0.000 0.310 897 G HA3 0.484 4.444 3.960 -0.000 0.000 0.310 897 G C -0.504 174.467 174.900 0.118 0.000 1.347 897 G CA -0.372 44.797 45.100 0.115 0.000 0.963 897 G HN 0.557 nan 8.290 nan 0.000 0.494 898 T N -1.170 113.422 114.554 0.063 0.000 2.773 898 T HA 0.924 5.274 4.350 -0.000 0.000 0.278 898 T C 0.051 174.776 174.700 0.043 0.000 1.011 898 T CA -0.562 61.559 62.100 0.036 0.000 1.014 898 T CB 2.241 71.075 68.868 -0.057 0.000 1.293 898 T HN 1.765 nan 8.240 nan 0.000 0.554 899 G N 0.146 108.913 108.800 -0.055 0.000 2.633 899 G HA2 0.540 4.500 3.960 -0.000 0.000 0.299 899 G HA3 0.540 4.500 3.960 -0.000 0.000 0.299 899 G C -1.745 173.030 174.900 -0.209 0.000 1.501 899 G CA -0.924 44.100 45.100 -0.127 0.000 0.887 899 G HN 0.631 nan 8.290 nan 0.000 0.561 900 R N 0.291 120.595 120.500 -0.327 0.000 2.787 900 R HA 0.602 4.942 4.340 -0.000 0.000 0.271 900 R C -0.549 175.596 176.300 -0.259 0.000 0.993 900 R CA -1.044 54.832 56.100 -0.373 0.000 0.993 900 R CB 1.839 31.766 30.300 -0.621 0.000 1.155 900 R HN 0.425 nan 8.270 nan 0.000 0.486 901 L N 2.549 123.605 121.223 -0.278 0.000 2.335 901 L HA 0.347 4.687 4.340 -0.000 0.000 0.268 901 L C -0.445 176.488 176.870 0.104 0.000 1.037 901 L CA -0.785 54.021 54.840 -0.057 0.000 0.895 901 L CB 0.893 42.973 42.059 0.035 0.000 1.266 901 L HN 0.534 nan 8.230 nan 0.000 0.439 902 C N 1.939 121.304 119.300 0.108 0.000 2.482 902 C HA 0.226 4.686 4.460 -0.000 0.000 0.378 902 C C 0.767 175.961 174.990 0.339 0.000 1.284 902 C CA -1.206 57.978 59.018 0.276 0.000 1.826 902 C CB -0.254 27.618 27.740 0.219 0.000 2.473 902 C HN 0.640 nan 8.230 nan 0.000 0.562 903 K N 2.613 123.276 120.400 0.438 0.000 2.368 903 K HA 0.447 4.767 4.320 -0.000 0.000 0.282 903 K C 0.450 177.170 176.600 0.201 0.000 1.035 903 K CA 0.497 57.015 56.287 0.385 0.000 0.973 903 K CB 0.492 33.047 32.500 0.093 0.000 0.957 903 K HN 0.992 nan 8.250 nan 0.000 0.474 904 T N 0.006 114.654 114.554 0.156 0.000 2.821 904 T HA 0.243 4.593 4.350 -0.000 0.000 0.306 904 T C -0.366 174.365 174.700 0.052 0.000 1.313 904 T CA -1.127 61.017 62.100 0.072 0.000 1.012 904 T CB 0.898 69.781 68.868 0.025 0.000 1.298 904 T HN 0.552 nan 8.240 nan 0.000 0.502 905 N N 0.515 119.237 118.700 0.037 0.000 3.052 905 N HA 0.431 5.171 4.740 -0.000 0.000 0.302 905 N C -0.797 174.717 175.510 0.008 0.000 1.332 905 N CA -0.231 52.836 53.050 0.029 0.000 1.129 905 N CB -0.090 38.441 38.487 0.073 0.000 1.436 905 N HN 0.336 nan 8.380 nan 0.000 0.536 906 L N 0.791 122.010 121.223 -0.006 0.000 2.370 906 L HA 0.574 4.914 4.340 -0.000 0.000 0.266 906 L C -2.213 174.656 176.870 -0.002 0.000 1.002 906 L CA -2.466 52.368 54.840 -0.011 0.000 0.818 906 L CB 2.573 44.585 42.059 -0.079 0.000 1.325 906 L HN 0.007 nan 8.230 nan 0.000 0.418 907 P HA -0.034 nan 4.420 nan 0.000 0.268 907 P C -0.472 176.831 177.300 0.004 0.000 1.205 907 P CA -0.066 63.049 63.100 0.025 0.000 0.771 907 P CB 1.050 32.789 31.700 0.065 0.000 0.858 908 S N 2.749 118.445 115.700 -0.006 0.000 2.498 908 S HA 0.087 4.557 4.470 -0.000 0.000 0.281 908 S C 0.333 174.923 174.600 -0.017 0.000 1.265 908 S CA -0.426 57.757 58.200 -0.028 0.000 1.071 908 S CB -0.880 62.310 63.200 -0.016 0.000 0.894 908 S HN 0.289 nan 8.310 nan 0.000 0.491 909 N N 3.073 121.709 118.700 -0.106 0.000 2.467 909 N HA 0.405 5.145 4.740 -0.000 0.000 0.262 909 N C 0.209 175.814 175.510 0.157 0.000 1.234 909 N CA -0.070 52.935 53.050 -0.076 0.000 0.952 909 N CB 1.181 39.398 38.487 -0.450 0.000 1.158 909 N HN 0.589 nan 8.380 nan 0.000 0.463 910 T N -0.945 113.793 114.554 0.308 0.000 2.618 910 T HA 0.662 5.012 4.350 -0.000 0.000 0.286 910 T C -1.165 173.727 174.700 0.320 0.000 1.027 910 T CA -0.564 61.727 62.100 0.319 0.000 1.063 910 T CB 0.707 69.693 68.868 0.196 0.000 1.440 910 T HN 0.499 nan 8.240 nan 0.000 0.505 911 A N 1.220 124.141 122.820 0.169 0.000 2.488 911 A HA 0.592 4.912 4.320 -0.000 0.000 0.249 911 A C -0.902 176.806 177.584 0.207 0.000 1.083 911 A CA 0.183 52.227 52.037 0.011 0.000 0.768 911 A CB -0.688 18.133 19.000 -0.299 0.000 1.017 911 A HN 0.666 nan 8.150 nan 0.000 0.496 912 F N 2.469 122.430 119.950 0.017 0.000 2.562 912 F HA 0.456 4.983 4.527 -0.000 0.000 0.319 912 F C 0.687 176.491 175.800 0.007 0.000 1.154 912 F CA -1.035 56.998 58.000 0.056 0.000 0.931 912 F CB 1.252 40.197 39.000 -0.091 0.000 1.198 912 F HN 0.761 nan 8.300 nan 0.000 0.444 913 R N 4.238 124.944 120.500 0.343 0.000 4.209 913 R HA -0.151 4.189 4.340 -0.000 0.000 0.120 913 R C 0.804 177.246 176.300 0.238 0.000 0.331 913 R CA 1.750 58.014 56.100 0.274 0.000 0.776 913 R CB -0.867 29.642 30.300 0.348 0.000 1.228 913 R HN 1.144 nan 8.270 nan 0.000 0.322 914 G N 2.717 111.653 108.800 0.228 0.000 3.033 914 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.196 914 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.196 914 G C 0.139 175.275 174.900 0.394 0.000 1.078 914 G CA -0.132 45.143 45.100 0.293 0.000 0.805 914 G HN 0.550 nan 8.290 nan 0.000 0.472 915 F N 1.114 121.162 119.950 0.163 0.000 3.097 915 F HA -0.069 4.458 4.527 -0.000 0.000 0.278 915 F C 1.930 177.748 175.800 0.030 0.000 0.917 915 F CA 2.724 60.786 58.000 0.103 0.000 0.962 915 F CB -1.208 37.855 39.000 0.105 0.000 0.964 915 F HN 1.994 nan 8.300 nan 0.000 0.668 916 G N -1.329 107.599 108.800 0.214 0.000 2.175 916 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.244 916 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.244 916 G C 1.386 176.197 174.900 -0.148 0.000 0.982 916 G CA 0.751 45.877 45.100 0.043 0.000 0.641 916 G HN 1.372 nan 8.290 nan 0.000 0.527 917 G N 1.319 110.045 108.800 -0.124 0.000 2.418 917 G HA2 0.035 3.995 3.960 -0.000 0.000 0.217 917 G HA3 0.035 3.995 3.960 -0.000 0.000 0.217 917 G C 0.282 174.989 174.900 -0.321 0.000 1.158 917 G CA 1.863 46.763 45.100 -0.333 0.000 0.771 917 G HN 0.550 nan 8.290 nan 0.000 0.545 918 P HA -0.002 nan 4.420 nan 0.000 0.223 918 P C 0.094 177.230 177.300 -0.274 0.000 1.151 918 P CA 0.586 63.567 63.100 -0.198 0.000 0.787 918 P CB 0.076 31.812 31.700 0.061 0.000 0.788 919 Q N 0.629 120.233 119.800 -0.325 0.000 2.288 919 Q HA 0.474 4.814 4.340 -0.000 0.000 0.258 919 Q C 0.967 176.639 176.000 -0.547 0.000 0.957 919 Q CA -0.139 55.357 55.803 -0.512 0.000 0.919 919 Q CB -0.394 27.831 28.738 -0.853 0.000 1.185 919 Q HN 0.050 nan 8.270 nan 0.000 0.408 920 G N 3.009 111.546 108.800 -0.438 0.000 2.956 920 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.258 920 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.258 920 G C 0.156 174.854 174.900 -0.335 0.000 0.437 920 G CA 0.353 45.243 45.100 -0.350 0.000 1.163 920 G HN 0.873 nan 8.290 nan 0.000 0.231 921 M N 1.446 120.837 119.600 -0.348 0.000 2.665 921 M HA -0.147 4.333 4.480 -0.000 0.000 0.217 921 M C 0.546 176.433 176.300 -0.688 0.000 0.487 921 M CA 0.822 55.828 55.300 -0.492 0.000 0.657 921 M CB -1.156 31.085 32.600 -0.599 0.000 2.412 921 M HN 1.232 nan 8.290 nan 0.000 0.767 922 L N -2.380 118.677 121.223 -0.276 0.000 1.429 922 L HA -0.120 4.220 4.340 -0.000 0.000 0.388 922 L C 1.082 177.881 176.870 -0.117 0.000 1.143 922 L CA 0.777 55.573 54.840 -0.073 0.000 2.177 922 L CB -1.039 40.878 42.059 -0.237 0.000 1.749 922 L HN 0.345 nan 8.230 nan 0.000 0.563 923 I N 2.537 122.971 120.570 -0.226 0.000 2.043 923 I HA -0.133 4.037 4.170 -0.000 0.000 0.223 923 I C 1.708 177.500 176.117 -0.540 0.000 1.026 923 I CA 1.721 62.861 61.300 -0.266 0.000 1.326 923 I CB -1.759 36.148 38.000 -0.154 0.000 1.060 923 I HN 0.404 nan 8.210 nan 0.000 0.386 924 A N 1.110 123.465 122.820 -0.774 0.000 2.520 924 A HA 0.156 4.476 4.320 -0.000 0.000 0.245 924 A C 0.732 177.810 177.584 -0.843 0.000 1.072 924 A CA 0.411 51.453 52.037 -1.657 0.000 0.761 924 A CB -0.073 18.077 19.000 -1.416 0.000 1.004 924 A HN 0.591 nan 8.150 nan 0.000 0.499 925 E N 0.200 119.940 120.200 -0.766 0.000 4.073 925 E HA -0.125 4.225 4.350 -0.000 0.000 0.374 925 E C -0.251 176.187 176.600 -0.269 0.000 0.711 925 E CA 0.760 56.961 56.400 -0.331 0.000 1.448 925 E CB -1.533 28.145 29.700 -0.037 0.000 1.729 925 E HN 0.897 nan 8.360 nan 0.000 0.352 926 C N -2.188 117.029 119.300 -0.139 0.000 3.292 926 C HA 0.205 4.665 4.460 -0.000 0.000 0.171 926 C C 1.819 176.931 174.990 0.205 0.000 2.630 926 C CA 1.039 60.124 59.018 0.112 0.000 0.971 926 C CB -1.154 26.632 27.740 0.076 0.000 1.277 926 C HN 0.743 nan 8.230 nan 0.000 0.698 927 W N 2.078 123.344 121.300 -0.056 0.000 2.141 927 W HA -0.509 4.151 4.660 -0.000 0.000 0.359 927 W C 1.984 178.427 176.519 -0.126 0.000 1.633 927 W CA 3.155 60.498 57.345 -0.004 0.000 1.751 927 W CB -0.970 28.338 29.460 -0.253 0.000 0.970 927 W HN 0.536 nan 8.180 nan 0.000 0.468 928 M N 2.128 122.151 119.600 0.705 0.000 2.065 928 M HA -0.203 4.277 4.480 -0.000 0.000 0.259 928 M C 2.396 178.705 176.300 0.016 0.000 1.071 928 M CA 3.280 58.804 55.300 0.373 0.000 1.109 928 M CB -1.145 31.414 32.600 -0.068 0.000 1.313 928 M HN 0.184 nan 8.290 nan 0.000 0.408 929 S N -0.835 114.814 115.700 -0.085 0.000 2.500 929 S HA -0.095 4.375 4.470 -0.000 0.000 0.239 929 S C 1.741 176.305 174.600 -0.060 0.000 0.989 929 S CA 1.170 59.301 58.200 -0.115 0.000 0.951 929 S CB -0.747 62.331 63.200 -0.204 0.000 0.759 929 S HN 0.639 nan 8.310 nan 0.000 0.523 930 E N 0.655 120.843 120.200 -0.019 0.000 2.170 930 E HA 0.017 4.366 4.350 -0.000 0.000 0.191 930 E C 1.874 178.392 176.600 -0.135 0.000 0.981 930 E CA 0.429 56.816 56.400 -0.021 0.000 0.830 930 E CB -0.078 29.671 29.700 0.082 0.000 0.775 930 E HN 0.328 nan 8.360 nan 0.000 0.470 931 V N 1.546 121.278 119.914 -0.304 0.000 2.214 931 V HA -0.319 3.801 4.120 -0.000 0.000 0.245 931 V C 2.363 178.303 176.094 -0.257 0.000 1.047 931 V CA 2.112 64.034 62.300 -0.629 0.000 0.998 931 V CB -0.781 30.553 31.823 -0.814 0.000 0.633 931 V HN 0.349 nan 8.190 nan 0.000 0.446 932 A N -1.122 121.601 122.820 -0.162 0.000 2.054 932 A HA -0.227 4.093 4.320 -0.000 0.000 0.223 932 A C 2.318 179.893 177.584 -0.016 0.000 1.169 932 A CA 2.410 54.409 52.037 -0.063 0.000 0.655 932 A CB -0.655 18.315 19.000 -0.050 0.000 0.812 932 A HN 0.380 nan 8.150 nan 0.000 0.462 933 V N -1.507 118.396 119.914 -0.019 0.000 2.500 933 V HA -0.117 4.003 4.120 -0.000 0.000 0.243 933 V C 2.652 178.772 176.094 0.044 0.000 1.039 933 V CA 2.202 64.511 62.300 0.015 0.000 1.053 933 V CB -0.530 31.297 31.823 0.007 0.000 0.695 933 V HN 0.607 nan 8.190 nan 0.000 0.463 934 T N -0.769 113.821 114.554 0.059 0.000 2.635 934 T HA -0.272 4.078 4.350 -0.000 0.000 0.267 934 T C 1.922 176.712 174.700 0.150 0.000 1.040 934 T CA 2.158 64.339 62.100 0.135 0.000 1.156 934 T CB -0.510 68.517 68.868 0.264 0.000 0.863 934 T HN 0.547 nan 8.240 nan 0.000 0.430 935 C N 0.466 119.867 119.300 0.169 0.000 2.453 935 C HA 0.403 4.863 4.460 -0.000 0.000 0.277 935 C C 1.647 176.684 174.990 0.079 0.000 1.262 935 C CA 0.354 59.455 59.018 0.138 0.000 1.718 935 C CB -1.522 26.299 27.740 0.134 0.000 2.031 935 C HN 0.933 nan 8.230 nan 0.000 0.480 936 G N 0.395 109.233 108.800 0.062 0.000 3.209 936 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.686 936 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.686 936 G C -0.033 174.896 174.900 0.048 0.000 1.065 936 G CA -0.034 45.096 45.100 0.050 0.000 0.812 936 G HN 0.304 nan 8.290 nan 0.000 0.573 937 M N 2.308 121.936 119.600 0.048 0.000 2.034 937 M HA 0.324 4.804 4.480 -0.000 0.000 0.213 937 M C -1.291 175.042 176.300 0.055 0.000 1.322 937 M CA 0.299 55.629 55.300 0.050 0.000 1.072 937 M CB -2.269 30.364 32.600 0.055 0.000 0.971 937 M HN 0.452 nan 8.290 nan 0.000 0.442 938 P HA -0.047 nan 4.420 nan 0.000 0.265 938 P C 0.145 177.496 177.300 0.086 0.000 1.167 938 P CA 0.735 63.891 63.100 0.093 0.000 0.760 938 P CB 0.199 31.978 31.700 0.131 0.000 0.783 939 A N 2.436 125.312 122.820 0.093 0.000 2.066 939 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 939 A C 2.140 179.776 177.584 0.086 0.000 1.157 939 A CA 1.009 53.086 52.037 0.066 0.000 0.670 939 A CB -0.714 18.320 19.000 0.057 0.000 0.804 939 A HN 0.650 nan 8.150 nan 0.000 0.453 940 E N 0.511 120.778 120.200 0.112 0.000 2.012 940 E HA -0.270 4.080 4.350 -0.000 0.000 0.197 940 E C 1.890 178.576 176.600 0.145 0.000 1.007 940 E CA 1.865 58.329 56.400 0.106 0.000 0.816 940 E CB -0.295 29.397 29.700 -0.013 0.000 0.762 940 E HN 0.735 nan 8.360 nan 0.000 0.451 941 E N -0.353 119.916 120.200 0.114 0.000 2.118 941 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 941 E C 2.192 178.816 176.600 0.040 0.000 0.992 941 E CA 1.378 57.832 56.400 0.089 0.000 0.804 941 E CB 0.150 29.900 29.700 0.084 0.000 0.741 941 E HN 0.130 nan 8.360 nan 0.000 0.458 942 V N 0.950 120.878 119.914 0.024 0.000 2.295 942 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 942 V C 2.317 178.372 176.094 -0.066 0.000 1.049 942 V CA 2.061 64.345 62.300 -0.027 0.000 1.024 942 V CB -0.558 31.236 31.823 -0.047 0.000 0.648 942 V HN 0.251 nan 8.190 nan 0.000 0.447 943 R N 0.361 120.839 120.500 -0.037 0.000 2.066 943 R HA -0.157 4.183 4.340 -0.000 0.000 0.232 943 R C 2.503 178.723 176.300 -0.133 0.000 1.131 943 R CA 1.656 57.724 56.100 -0.053 0.000 0.955 943 R CB -0.549 29.797 30.300 0.075 0.000 0.851 943 R HN 0.548 nan 8.270 nan 0.000 0.432 944 R N 1.996 122.366 120.500 -0.215 0.000 2.103 944 R HA -0.205 4.135 4.340 -0.000 0.000 0.242 944 R C 2.097 178.293 176.300 -0.174 0.000 1.142 944 R CA 2.179 58.078 56.100 -0.335 0.000 0.960 944 R CB -0.284 29.944 30.300 -0.120 0.000 0.858 944 R HN 0.064 nan 8.270 nan 0.000 0.439 945 K N 0.668 121.015 120.400 -0.088 0.000 2.103 945 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 945 K C 0.169 176.728 176.600 -0.068 0.000 1.048 945 K CA 1.896 58.145 56.287 -0.062 0.000 0.930 945 K CB -0.112 32.362 32.500 -0.042 0.000 0.716 945 K HN 0.707 nan 8.250 nan 0.000 0.444 946 N N 0.389 119.053 118.700 -0.061 0.000 2.598 946 N HA 0.137 4.877 4.740 -0.000 0.000 0.309 946 N C -0.983 174.554 175.510 0.046 0.000 1.645 946 N CA -0.395 52.632 53.050 -0.039 0.000 0.936 946 N CB 0.444 38.890 38.487 -0.068 0.000 1.323 946 N HN -0.031 nan 8.380 nan 0.000 0.497 947 L N 1.889 123.107 121.223 -0.008 0.000 2.360 947 L HA 0.252 4.592 4.340 -0.000 0.000 0.276 947 L C 0.161 177.004 176.870 -0.045 0.000 1.121 947 L CA -0.727 54.116 54.840 0.004 0.000 0.845 947 L CB 0.060 42.077 42.059 -0.071 0.000 1.143 947 L HN 0.228 nan 8.230 nan 0.000 0.452 948 Y N 3.267 123.517 120.300 -0.084 0.000 3.137 948 Y HA -0.181 4.369 4.550 -0.000 0.000 0.348 948 Y C 0.481 176.077 175.900 -0.507 0.000 1.275 948 Y CA 0.647 58.602 58.100 -0.241 0.000 1.516 948 Y CB 0.091 38.419 38.460 -0.221 0.000 1.268 948 Y HN 0.489 nan 8.280 nan 0.000 0.644 949 K N -0.041 120.100 120.400 -0.432 0.000 2.512 949 K HA 0.483 4.803 4.320 -0.000 0.000 0.263 949 K C -1.304 174.947 176.600 -0.582 0.000 0.966 949 K CA -1.480 54.494 56.287 -0.522 0.000 0.851 949 K CB 1.381 33.736 32.500 -0.242 0.000 1.395 949 K HN 0.370 nan 8.250 nan 0.000 0.440 950 E N 0.785 120.700 120.200 -0.475 0.000 2.765 950 E HA 0.092 4.442 4.350 -0.000 0.000 0.256 950 E C 0.773 177.243 176.600 -0.216 0.000 0.935 950 E CA 1.977 58.181 56.400 -0.327 0.000 0.954 950 E CB -0.311 29.316 29.700 -0.122 0.000 0.908 950 E HN 0.795 nan 8.360 nan 0.000 0.500 951 G N 3.618 112.315 108.800 -0.171 0.000 2.143 951 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.248 951 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.248 951 G C -0.044 174.796 174.900 -0.100 0.000 0.991 951 G CA 0.166 45.206 45.100 -0.099 0.000 0.689 951 G HN 0.647 nan 8.290 nan 0.000 0.522 952 D N -0.372 119.949 120.400 -0.132 0.000 2.398 952 D HA 0.610 5.250 4.640 -0.000 0.000 0.264 952 D C 0.816 177.094 176.300 -0.037 0.000 1.263 952 D CA 0.337 54.306 54.000 -0.052 0.000 1.037 952 D CB 0.576 41.397 40.800 0.035 0.000 1.101 952 D HN 0.505 nan 8.370 nan 0.000 0.551 953 L N -1.834 119.399 121.223 0.015 0.000 2.410 953 L HA 0.413 4.753 4.340 -0.000 0.000 0.270 953 L C 0.352 177.243 176.870 0.035 0.000 0.983 953 L CA -1.223 53.597 54.840 -0.033 0.000 0.822 953 L CB 0.448 42.472 42.059 -0.058 0.000 1.285 953 L HN 0.343 nan 8.230 nan 0.000 0.409 954 T N -1.705 112.727 114.554 -0.205 0.000 2.836 954 T HA -0.091 4.259 4.350 -0.000 0.000 0.343 954 T C 1.212 175.788 174.700 -0.207 0.000 1.081 954 T CA 0.945 62.833 62.100 -0.353 0.000 1.126 954 T CB -0.088 67.984 68.868 -1.328 0.000 1.060 954 T HN 0.950 nan 8.240 nan 0.000 0.536 955 H N 0.825 119.829 119.070 -0.110 0.000 2.568 955 H HA 0.006 4.562 4.556 -0.000 0.000 0.281 955 H C 0.733 176.172 175.328 0.186 0.000 1.028 955 H CA 0.650 56.740 56.048 0.071 0.000 1.199 955 H CB -0.868 28.993 29.762 0.165 0.000 1.352 955 H HN 0.863 nan 8.280 nan 0.000 0.605 956 F N -0.650 119.192 119.950 -0.180 0.000 2.772 956 F HA 0.384 4.911 4.527 -0.000 0.000 0.316 956 F C -0.016 175.820 175.800 0.060 0.000 1.114 956 F CA -1.205 56.758 58.000 -0.062 0.000 1.191 956 F CB -0.212 38.618 39.000 -0.283 0.000 1.065 956 F HN -0.141 nan 8.300 nan 0.000 0.534 957 N N 1.795 120.473 118.700 -0.037 0.000 2.727 957 N HA -0.274 4.466 4.740 -0.000 0.000 0.249 957 N C -0.272 175.241 175.510 0.006 0.000 1.048 957 N CA 0.986 54.029 53.050 -0.010 0.000 0.714 957 N CB -1.043 37.479 38.487 0.058 0.000 0.959 957 N HN 0.774 nan 8.380 nan 0.000 0.544 958 Q N 0.640 120.368 119.800 -0.120 0.000 2.241 958 Q HA 0.308 4.648 4.340 -0.000 0.000 0.254 958 Q C -0.221 175.735 176.000 -0.073 0.000 0.917 958 Q CA -0.595 55.202 55.803 -0.010 0.000 0.919 958 Q CB 1.208 30.054 28.738 0.180 0.000 1.237 958 Q HN 0.143 nan 8.270 nan 0.000 0.434 959 K N 3.712 124.118 120.400 0.009 0.000 2.322 959 K HA 0.185 4.505 4.320 -0.000 0.000 0.283 959 K C -0.665 175.933 176.600 -0.002 0.000 1.042 959 K CA -0.191 56.089 56.287 -0.013 0.000 0.958 959 K CB 0.448 32.958 32.500 0.015 0.000 0.984 959 K HN 0.624 nan 8.250 nan 0.000 0.473 960 L N 5.388 126.560 121.223 -0.086 0.000 2.404 960 L HA 0.119 4.459 4.340 -0.000 0.000 0.277 960 L C 0.111 177.019 176.870 0.064 0.000 1.184 960 L CA -0.018 54.799 54.840 -0.037 0.000 1.013 960 L CB -0.103 41.892 42.059 -0.106 0.000 1.318 960 L HN 0.607 nan 8.230 nan 0.000 0.435 961 E N 1.872 122.148 120.200 0.126 0.000 2.366 961 E HA 0.248 4.598 4.350 -0.000 0.000 0.266 961 E C 0.773 177.475 176.600 0.170 0.000 1.051 961 E CA -0.174 56.302 56.400 0.127 0.000 0.884 961 E CB 0.886 30.652 29.700 0.109 0.000 1.006 961 E HN 0.653 nan 8.360 nan 0.000 0.417 962 G N 2.912 111.784 108.800 0.120 0.000 2.247 962 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.265 962 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.265 962 G C -0.551 174.417 174.900 0.113 0.000 0.861 962 G CA 0.314 45.475 45.100 0.102 0.000 1.289 962 G HN 0.424 nan 8.290 nan 0.000 0.403 963 F N 2.939 122.824 119.950 -0.109 0.000 2.371 963 F HA 0.511 5.038 4.527 -0.000 0.000 0.363 963 F C 1.554 177.127 175.800 -0.378 0.000 1.122 963 F CA -0.105 57.715 58.000 -0.300 0.000 1.129 963 F CB 1.143 39.995 39.000 -0.247 0.000 1.173 963 F HN 0.230 nan 8.300 nan 0.000 0.489 964 T N 2.574 116.630 114.554 -0.830 0.000 3.044 964 T HA -0.030 4.320 4.350 -0.000 0.000 0.250 964 T C 1.720 176.149 174.700 -0.453 0.000 1.081 964 T CA 0.350 62.195 62.100 -0.425 0.000 1.040 964 T CB -0.095 68.629 68.868 -0.240 0.000 0.962 964 T HN 0.603 nan 8.240 nan 0.000 0.506 965 L N 2.761 123.424 121.223 -0.932 0.000 2.131 965 L HA 0.109 4.449 4.340 -0.000 0.000 0.210 965 L C -0.596 176.196 176.870 -0.129 0.000 1.092 965 L CA 1.452 55.956 54.840 -0.560 0.000 0.759 965 L CB -0.865 40.733 42.059 -0.768 0.000 0.903 965 L HN 0.104 nan 8.230 nan 0.000 0.435 966 P HA -0.257 nan 4.420 nan 0.000 0.215 966 P C 1.528 178.900 177.300 0.119 0.000 1.157 966 P CA 1.571 64.736 63.100 0.107 0.000 0.868 966 P CB -0.209 31.563 31.700 0.119 0.000 0.788 967 R N -0.201 120.329 120.500 0.049 0.000 2.117 967 R HA -0.160 4.180 4.340 -0.000 0.000 0.243 967 R C 2.217 178.548 176.300 0.052 0.000 1.143 967 R CA 2.209 58.336 56.100 0.045 0.000 0.968 967 R CB -0.918 29.391 30.300 0.016 0.000 0.863 967 R HN 0.165 nan 8.270 nan 0.000 0.444 968 C N -0.573 118.751 119.300 0.040 0.000 2.436 968 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 968 C C 2.392 177.444 174.990 0.103 0.000 1.241 968 C CA 0.368 59.418 59.018 0.054 0.000 1.721 968 C CB -1.515 26.255 27.740 0.050 0.000 2.043 968 C HN 0.696 nan 8.230 nan 0.000 0.472 969 W N 1.805 123.084 121.300 -0.035 0.000 2.304 969 W HA -0.213 4.447 4.660 -0.000 0.000 0.328 969 W C 2.354 178.860 176.519 -0.021 0.000 1.242 969 W CA 2.174 59.502 57.345 -0.028 0.000 1.243 969 W CB -0.892 28.557 29.460 -0.017 0.000 1.170 969 W HN 0.343 nan 8.180 nan 0.000 0.460 970 E N 0.097 120.455 120.200 0.262 0.000 2.147 970 E HA -0.306 4.044 4.350 -0.000 0.000 0.199 970 E C 2.028 178.641 176.600 0.023 0.000 1.005 970 E CA 2.340 58.819 56.400 0.133 0.000 0.810 970 E CB -0.516 29.269 29.700 0.141 0.000 0.736 970 E HN 0.461 nan 8.360 nan 0.000 0.460 971 E N -1.303 118.905 120.200 0.013 0.000 2.478 971 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 971 E C 1.635 178.210 176.600 -0.042 0.000 1.045 971 E CA 0.498 56.894 56.400 -0.007 0.000 0.868 971 E CB 0.041 29.744 29.700 0.006 0.000 0.885 971 E HN 0.352 nan 8.360 nan 0.000 0.505 972 C N -0.201 119.043 119.300 -0.094 0.000 2.538 972 C HA 0.120 4.580 4.460 -0.000 0.000 0.281 972 C C 2.168 177.068 174.990 -0.149 0.000 1.320 972 C CA 0.142 59.085 59.018 -0.125 0.000 1.714 972 C CB -0.839 26.800 27.740 -0.168 0.000 2.095 972 C HN 0.461 nan 8.230 nan 0.000 0.497 973 L N 2.033 123.111 121.223 -0.242 0.000 2.549 973 L HA 0.041 4.381 4.340 -0.000 0.000 0.230 973 L C 2.540 179.386 176.870 -0.041 0.000 1.162 973 L CA 1.363 56.087 54.840 -0.194 0.000 0.834 973 L CB -0.827 41.056 42.059 -0.293 0.000 0.947 973 L HN 0.478 nan 8.230 nan 0.000 0.452 974 A N 0.085 122.885 122.820 -0.033 0.000 1.832 974 A HA -0.131 4.189 4.320 -0.000 0.000 0.214 974 A C 2.486 180.079 177.584 0.015 0.000 1.242 974 A CA 1.441 53.483 52.037 0.010 0.000 0.603 974 A CB -1.095 17.908 19.000 0.004 0.000 0.902 974 A HN 0.412 nan 8.150 nan 0.000 0.455 975 S N 0.889 116.590 115.700 0.001 0.000 2.377 975 S HA -0.292 4.178 4.470 -0.000 0.000 0.224 975 S C 2.240 176.844 174.600 0.007 0.000 1.042 975 S CA 2.724 60.925 58.200 0.003 0.000 1.086 975 S CB -1.469 61.729 63.200 -0.004 0.000 0.995 975 S HN 1.358 nan 8.310 nan 0.000 0.428 976 S N 2.719 118.417 115.700 -0.003 0.000 2.421 976 S HA -0.310 4.160 4.470 -0.000 0.000 0.239 976 S C 0.986 175.602 174.600 0.026 0.000 1.054 976 S CA 1.700 59.904 58.200 0.007 0.000 1.035 976 S CB -1.571 61.627 63.200 -0.002 0.000 0.840 976 S HN 0.910 nan 8.310 nan 0.000 0.475 977 Q N -0.732 119.094 119.800 0.043 0.000 2.407 977 Q HA -0.291 4.049 4.340 -0.000 0.000 0.367 977 Q C 0.191 176.238 176.000 0.079 0.000 1.337 977 Q CA 0.904 56.754 55.803 0.077 0.000 1.105 977 Q CB -2.443 26.331 28.738 0.060 0.000 1.242 977 Q HN 0.794 nan 8.270 nan 0.000 0.311 978 Y N 2.909 123.163 120.300 -0.076 0.000 2.092 978 Y HA -0.155 4.395 4.550 -0.000 0.000 0.282 978 Y C 1.213 177.027 175.900 -0.143 0.000 1.126 978 Y CA 2.045 60.042 58.100 -0.172 0.000 1.111 978 Y CB 0.087 38.347 38.460 -0.334 0.000 0.987 978 Y HN 0.762 nan 8.280 nan 0.000 0.489 979 H N 0.138 119.304 119.070 0.159 0.000 3.089 979 H HA 0.546 5.102 4.556 -0.000 0.000 0.262 979 H C 0.295 175.642 175.328 0.032 0.000 1.160 979 H CA -0.367 55.709 56.048 0.046 0.000 1.482 979 H CB 0.529 30.356 29.762 0.108 0.000 1.511 979 H HN 0.387 nan 8.280 nan 0.000 0.483 980 A N 3.409 126.289 122.820 0.100 0.000 1.852 980 A HA 0.090 4.410 4.320 -0.000 0.000 0.205 980 A C 2.185 179.768 177.584 -0.003 0.000 1.757 980 A CA -0.083 51.992 52.037 0.064 0.000 1.088 980 A CB 0.090 19.116 19.000 0.044 0.000 1.079 980 A HN 0.493 nan 8.150 nan 0.000 0.524 981 R N 0.421 120.900 120.500 -0.035 0.000 2.301 981 R HA -0.367 3.973 4.340 -0.000 0.000 0.250 981 R C 2.159 178.371 176.300 -0.146 0.000 1.102 981 R CA 2.512 58.559 56.100 -0.089 0.000 0.933 981 R CB -0.525 29.715 30.300 -0.100 0.000 0.955 981 R HN 0.544 nan 8.270 nan 0.000 0.439 982 K N 0.371 120.608 120.400 -0.270 0.000 2.015 982 K HA -0.246 4.074 4.320 -0.000 0.000 0.220 982 K C 2.140 178.679 176.600 -0.102 0.000 1.055 982 K CA 2.398 58.523 56.287 -0.269 0.000 0.951 982 K CB -0.589 31.689 32.500 -0.371 0.000 0.725 982 K HN 0.177 nan 8.250 nan 0.000 0.449 983 S N 0.458 116.131 115.700 -0.044 0.000 2.389 983 S HA -0.304 4.166 4.470 -0.000 0.000 0.229 983 S C 1.974 176.575 174.600 0.002 0.000 1.048 983 S CA 2.168 60.367 58.200 -0.001 0.000 1.117 983 S CB -0.676 62.536 63.200 0.020 0.000 1.020 983 S HN 0.540 nan 8.310 nan 0.000 0.430 984 E N -0.058 120.140 120.200 -0.003 0.000 2.284 984 E HA -0.137 4.213 4.350 -0.000 0.000 0.200 984 E C 1.788 178.409 176.600 0.035 0.000 1.008 984 E CA 1.353 57.762 56.400 0.015 0.000 0.829 984 E CB -0.137 29.565 29.700 0.002 0.000 0.744 984 E HN 0.527 nan 8.360 nan 0.000 0.491 985 V N 1.745 121.664 119.914 0.009 0.000 2.261 985 V HA -0.172 3.948 4.120 -0.000 0.000 0.235 985 V C 0.646 176.798 176.094 0.097 0.000 1.044 985 V CA 1.724 64.044 62.300 0.033 0.000 1.007 985 V CB -0.398 31.412 31.823 -0.022 0.000 0.647 985 V HN 0.291 nan 8.190 nan 0.000 0.462 986 D N 1.240 121.674 120.400 0.056 0.000 2.382 986 D HA 0.273 4.913 4.640 -0.000 0.000 0.259 986 D C 0.494 176.830 176.300 0.060 0.000 1.224 986 D CA 0.581 54.617 54.000 0.059 0.000 0.894 986 D CB 1.566 42.385 40.800 0.031 0.000 1.127 986 D HN 0.524 nan 8.370 nan 0.000 0.487 987 K N 1.540 121.983 120.400 0.072 0.000 5.058 987 K HA -0.176 4.144 4.320 -0.000 0.000 0.353 987 K C 0.712 177.372 176.600 0.100 0.000 1.391 987 K CA 0.024 56.352 56.287 0.069 0.000 1.622 987 K CB -1.648 30.899 32.500 0.079 0.000 1.210 987 K HN 0.178 nan 8.250 nan 0.000 0.384 988 F N 2.815 122.766 119.950 0.001 0.000 2.134 988 F HA 0.003 4.530 4.527 -0.000 0.000 0.299 988 F C 1.654 177.455 175.800 0.002 0.000 1.097 988 F CA 2.328 60.333 58.000 0.008 0.000 1.264 988 F CB -0.240 38.769 39.000 0.014 0.000 1.001 988 F HN 0.288 nan 8.300 nan 0.000 0.479 989 N N 0.894 119.692 118.700 0.164 0.000 2.104 989 N HA -0.228 4.512 4.740 -0.000 0.000 0.190 989 N C 1.947 177.408 175.510 -0.082 0.000 1.024 989 N CA 1.393 54.465 53.050 0.037 0.000 0.853 989 N CB -0.532 38.002 38.487 0.078 0.000 1.008 989 N HN 0.402 nan 8.380 nan 0.000 0.424 990 K N 1.430 121.796 120.400 -0.056 0.000 2.009 990 K HA -0.123 4.197 4.320 -0.000 0.000 0.210 990 K C 1.221 177.747 176.600 -0.124 0.000 1.049 990 K CA 1.370 57.608 56.287 -0.081 0.000 0.929 990 K CB -0.030 32.442 32.500 -0.046 0.000 0.714 990 K HN 0.176 nan 8.250 nan 0.000 0.440 991 E N 0.287 120.400 120.200 -0.145 0.000 2.516 991 E HA -0.003 4.347 4.350 -0.000 0.000 0.199 991 E C -0.240 176.215 176.600 -0.243 0.000 1.069 991 E CA 0.147 56.447 56.400 -0.167 0.000 0.876 991 E CB 0.158 29.777 29.700 -0.136 0.000 0.843 991 E HN 0.252 nan 8.360 nan 0.000 0.530 992 N N -0.921 117.577 118.700 -0.337 0.000 2.238 992 N HA 0.116 4.856 4.740 -0.000 0.000 0.302 992 N C -0.688 174.680 175.510 -0.238 0.000 1.072 992 N CA -0.355 52.495 53.050 -0.333 0.000 0.792 992 N CB 1.944 40.061 38.487 -0.616 0.000 1.425 992 N HN -0.040 nan 8.380 nan 0.000 0.478 993 c N 0.783 119.278 118.600 -0.174 0.000 2.609 993 c HA 0.297 4.867 4.570 -0.000 0.000 0.305 993 c C 1.066 174.952 174.090 -0.340 0.000 1.319 993 c CA -0.201 55.908 56.329 -0.368 0.000 1.793 993 c CB -0.464 41.726 42.510 -0.534 0.000 2.260 993 c HN 0.874 nan 8.230 nan 0.000 0.535 994 W N 0.836 122.192 121.300 0.093 0.000 2.534 994 W HA 0.346 5.006 4.660 -0.000 0.000 0.339 994 W C 0.332 176.925 176.519 0.124 0.000 0.961 994 W CA -0.366 57.060 57.345 0.134 0.000 1.545 994 W CB 0.539 30.098 29.460 0.164 0.000 1.104 994 W HN -0.044 nan 8.180 nan 0.000 0.538 995 K N 1.288 121.866 120.400 0.297 0.000 2.375 995 K HA 0.546 4.866 4.320 -0.000 0.000 0.249 995 K C -0.345 176.430 176.600 0.292 0.000 0.942 995 K CA -0.904 55.557 56.287 0.290 0.000 0.806 995 K CB 2.472 35.168 32.500 0.328 0.000 1.227 995 K HN -0.424 nan 8.250 nan 0.000 0.430 996 K N 1.940 122.552 120.400 0.354 0.000 2.532 996 K HA 0.471 4.791 4.320 -0.000 0.000 0.265 996 K C -0.843 175.931 176.600 0.290 0.000 0.948 996 K CA -0.848 55.640 56.287 0.335 0.000 0.842 996 K CB 2.667 35.270 32.500 0.172 0.000 1.392 996 K HN 0.538 nan 8.250 nan 0.000 0.436 997 R N -0.306 120.336 120.500 0.237 0.000 2.892 997 R HA 0.747 5.087 4.340 -0.000 0.000 0.265 997 R C -0.305 176.020 176.300 0.043 0.000 1.025 997 R CA -1.075 55.064 56.100 0.064 0.000 0.982 997 R CB 2.186 32.441 30.300 -0.075 0.000 1.185 997 R HN 0.776 nan 8.270 nan 0.000 0.484 998 G N 1.008 109.812 108.800 0.006 0.000 2.746 998 G HA2 0.544 4.504 3.960 -0.000 0.000 0.297 998 G HA3 0.544 4.504 3.960 -0.000 0.000 0.297 998 G C -2.159 172.739 174.900 -0.004 0.000 1.426 998 G CA -0.406 44.700 45.100 0.009 0.000 0.989 998 G HN 0.356 nan 8.290 nan 0.000 0.520 999 L N 0.867 122.085 121.223 -0.008 0.000 2.371 999 L HA 0.951 5.291 4.340 -0.000 0.000 0.262 999 L C -0.725 176.182 176.870 0.062 0.000 1.006 999 L CA -0.515 54.316 54.840 -0.015 0.000 0.818 999 L CB 2.128 44.106 42.059 -0.135 0.000 1.354 999 L HN 0.923 nan 8.230 nan 0.000 0.415 1000 C N 3.603 122.980 119.300 0.128 0.000 3.292 1000 C HA 0.747 5.207 4.460 -0.000 0.000 0.338 1000 C C -1.765 173.342 174.990 0.195 0.000 1.323 1000 C CA -0.755 58.388 59.018 0.209 0.000 1.232 1000 C CB 1.330 29.179 27.740 0.181 0.000 1.517 1000 C HN 0.987 nan 8.230 nan 0.000 0.470 1001 I N 3.470 124.121 120.570 0.135 0.000 2.512 1001 I HA 0.805 4.975 4.170 -0.000 0.000 0.287 1001 I C -1.479 174.670 176.117 0.053 0.000 1.069 1001 I CA -0.099 61.190 61.300 -0.019 0.000 1.056 1001 I CB 1.246 39.064 38.000 -0.304 0.000 1.229 1001 I HN 0.579 nan 8.210 nan 0.000 0.429 1002 I N 9.716 130.332 120.570 0.076 0.000 2.647 1002 I HA 0.660 4.830 4.170 -0.000 0.000 0.295 1002 I C -2.420 173.811 176.117 0.189 0.000 1.078 1002 I CA -1.575 59.812 61.300 0.144 0.000 1.048 1002 I CB 2.421 40.452 38.000 0.051 0.000 1.239 1002 I HN 0.411 nan 8.210 nan 0.000 0.421 1003 P HA 0.584 nan 4.420 nan 0.000 0.288 1003 P C -1.031 176.385 177.300 0.193 0.000 1.297 1003 P CA -0.671 62.571 63.100 0.237 0.000 0.864 1003 P CB 2.174 34.018 31.700 0.240 0.000 1.237 1004 T N -1.303 113.374 114.554 0.204 0.000 2.977 1004 T HA 0.564 4.914 4.350 -0.000 0.000 0.345 1004 T C -2.022 172.825 174.700 0.246 0.000 1.562 1004 T CA -0.720 61.542 62.100 0.271 0.000 1.090 1004 T CB 0.696 69.781 68.868 0.361 0.000 1.383 1004 T HN 0.725 nan 8.240 nan 0.000 0.484 1005 K N 2.571 123.105 120.400 0.225 0.000 2.501 1005 K HA 0.776 5.096 4.320 -0.000 0.000 0.252 1005 K C -1.997 174.733 176.600 0.216 0.000 0.934 1005 K CA -0.921 55.432 56.287 0.110 0.000 0.797 1005 K CB 1.856 34.389 32.500 0.054 0.000 1.270 1005 K HN 0.404 nan 8.250 nan 0.000 0.431 1006 F N 1.792 121.726 119.950 -0.027 0.000 2.536 1006 F HA 0.532 5.059 4.527 -0.000 0.000 0.322 1006 F C 0.008 175.666 175.800 -0.236 0.000 1.144 1006 F CA -0.379 57.603 58.000 -0.030 0.000 0.924 1006 F CB 2.026 40.960 39.000 -0.110 0.000 1.181 1006 F HN 0.850 nan 8.300 nan 0.000 0.438 1007 G N 5.971 114.376 108.800 -0.658 0.000 2.403 1007 G HA2 0.436 4.396 3.960 -0.000 0.000 0.259 1007 G HA3 0.436 4.396 3.960 -0.000 0.000 0.259 1007 G C -0.920 173.337 174.900 -1.072 0.000 1.244 1007 G CA -0.348 43.677 45.100 -1.792 0.000 0.849 1007 G HN 0.609 nan 8.290 nan 0.000 0.532 1008 I N 1.680 121.792 120.570 -0.764 0.000 2.312 1008 I HA 0.505 4.675 4.170 -0.000 0.000 0.290 1008 I C 0.272 176.272 176.117 -0.195 0.000 1.008 1008 I CA 0.570 61.648 61.300 -0.369 0.000 1.226 1008 I CB 1.471 39.188 38.000 -0.471 0.000 1.371 1008 I HN 0.519 nan 8.210 nan 0.000 0.468 1009 S N 4.026 119.706 115.700 -0.033 0.000 2.758 1009 S HA 0.235 4.705 4.470 -0.000 0.000 0.278 1009 S C -0.859 173.700 174.600 -0.069 0.000 0.905 1009 S CA -0.964 57.196 58.200 -0.067 0.000 0.960 1009 S CB 0.164 63.329 63.200 -0.059 0.000 1.211 1009 S HN 0.265 nan 8.310 nan 0.000 0.462 1010 F N 2.398 122.354 119.950 0.010 0.000 2.572 1010 F HA 0.096 4.623 4.527 -0.000 0.000 0.370 1010 F C 2.309 178.056 175.800 -0.088 0.000 1.103 1010 F CA 1.292 59.300 58.000 0.013 0.000 1.286 1010 F CB 0.899 39.908 39.000 0.016 0.000 1.105 1010 F HN 0.819 nan 8.300 nan 0.000 0.583 1011 T N -0.512 114.073 114.554 0.051 0.000 2.701 1011 T HA -0.075 4.275 4.350 -0.000 0.000 0.263 1011 T C 0.800 175.446 174.700 -0.090 0.000 1.040 1011 T CA 0.370 62.411 62.100 -0.098 0.000 1.147 1011 T CB -0.719 68.087 68.868 -0.102 0.000 0.865 1011 T HN 0.200 nan 8.240 nan 0.000 0.426 1012 V N 5.423 125.284 119.914 -0.088 0.000 2.621 1012 V HA 0.012 4.132 4.120 -0.000 0.000 0.300 1012 V C -0.612 175.330 176.094 -0.254 0.000 1.031 1012 V CA -0.553 61.593 62.300 -0.258 0.000 1.210 1012 V CB 0.041 31.639 31.823 -0.375 0.000 0.864 1012 V HN 0.457 nan 8.190 nan 0.000 0.477 1013 P HA -0.115 nan 4.420 nan 0.000 0.220 1013 P C 1.370 178.626 177.300 -0.073 0.000 1.152 1013 P CA 1.035 64.053 63.100 -0.137 0.000 0.812 1013 P CB 0.002 31.637 31.700 -0.107 0.000 0.792 1014 F N -0.557 119.369 119.950 -0.038 0.000 2.722 1014 F HA 0.093 4.620 4.527 -0.000 0.000 0.298 1014 F C 1.442 177.170 175.800 -0.120 0.000 1.175 1014 F CA -0.083 57.881 58.000 -0.061 0.000 1.462 1014 F CB -2.042 36.929 39.000 -0.047 0.000 1.111 1014 F HN -0.212 nan 8.300 nan 0.000 0.592 1015 L N 0.374 121.683 121.223 0.144 0.000 2.558 1015 L HA 0.088 4.428 4.340 -0.000 0.000 0.225 1015 L C 0.765 177.548 176.870 -0.146 0.000 1.128 1015 L CA 0.157 54.858 54.840 -0.232 0.000 0.868 1015 L CB -0.650 40.837 42.059 -0.952 0.000 1.006 1015 L HN 0.113 nan 8.230 nan 0.000 0.454 1016 N N 2.828 121.582 118.700 0.091 0.000 3.193 1016 N HA 0.055 4.795 4.740 -0.000 0.000 0.312 1016 N C -0.484 175.037 175.510 0.019 0.000 1.261 1016 N CA 0.150 53.293 53.050 0.155 0.000 1.208 1016 N CB 0.233 38.776 38.487 0.094 0.000 1.471 1016 N HN 0.531 nan 8.380 nan 0.000 0.548 1017 Q N -0.598 119.197 119.800 -0.008 0.000 2.379 1017 Q HA 0.851 5.191 4.340 -0.000 0.000 0.278 1017 Q C -1.453 174.469 176.000 -0.130 0.000 1.068 1017 Q CA -1.127 54.607 55.803 -0.115 0.000 0.816 1017 Q CB 2.198 30.833 28.738 -0.172 0.000 1.387 1017 Q HN 0.123 nan 8.270 nan 0.000 0.413 1018 A N 0.676 123.382 122.820 -0.190 0.000 2.534 1018 A HA 1.033 5.353 4.320 -0.000 0.000 0.300 1018 A C -1.023 176.366 177.584 -0.324 0.000 1.223 1018 A CA -0.371 51.541 52.037 -0.208 0.000 0.666 1018 A CB 1.584 20.564 19.000 -0.035 0.000 1.316 1018 A HN 1.112 nan 8.150 nan 0.000 0.468 1019 G N -1.827 106.879 108.800 -0.156 0.000 2.732 1019 G HA2 0.789 4.749 3.960 -0.000 0.000 0.296 1019 G HA3 0.789 4.749 3.960 -0.000 0.000 0.296 1019 G C -0.891 174.019 174.900 0.016 0.000 1.448 1019 G CA 0.456 45.492 45.100 -0.107 0.000 0.911 1019 G HN 1.964 nan 8.290 nan 0.000 0.528 1020 A N 0.015 122.872 122.820 0.062 0.000 2.527 1020 A HA 0.931 5.251 4.320 -0.000 0.000 0.293 1020 A C -1.886 175.726 177.584 0.048 0.000 1.117 1020 A CA -0.759 51.327 52.037 0.081 0.000 0.723 1020 A CB 2.221 21.284 19.000 0.105 0.000 1.313 1020 A HN 1.870 nan 8.150 nan 0.000 0.411 1021 L N 0.919 122.152 121.223 0.017 0.000 2.464 1021 L HA 0.791 5.131 4.340 -0.000 0.000 0.266 1021 L C -1.985 174.803 176.870 -0.137 0.000 0.965 1021 L CA -0.681 54.113 54.840 -0.075 0.000 0.833 1021 L CB 1.899 43.906 42.059 -0.087 0.000 1.296 1021 L HN 0.806 nan 8.230 nan 0.000 0.405 1022 L N 4.517 125.599 121.223 -0.234 0.000 2.376 1022 L HA 0.601 4.941 4.340 -0.000 0.000 0.275 1022 L C -1.555 175.110 176.870 -0.341 0.000 0.987 1022 L CA -0.206 54.515 54.840 -0.198 0.000 0.828 1022 L CB 1.256 43.283 42.059 -0.054 0.000 1.249 1022 L HN 0.780 nan 8.230 nan 0.000 0.409 1023 H N 3.570 122.614 119.070 -0.044 0.000 2.466 1023 H HA 0.722 5.278 4.556 -0.000 0.000 0.338 1023 H C -0.721 174.473 175.328 -0.222 0.000 1.091 1023 H CA -0.841 55.092 56.048 -0.190 0.000 1.207 1023 H CB 2.064 31.619 29.762 -0.344 0.000 1.466 1023 H HN 0.451 nan 8.280 nan 0.000 0.493 1024 V N 4.052 123.904 119.914 -0.104 0.000 2.328 1024 V HA 0.183 4.303 4.120 -0.000 0.000 0.278 1024 V C -0.431 175.535 176.094 -0.213 0.000 1.021 1024 V CA -0.875 61.375 62.300 -0.083 0.000 0.838 1024 V CB -0.358 31.505 31.823 0.067 0.000 0.999 1024 V HN 0.692 nan 8.190 nan 0.000 0.447 1025 Y N 2.070 122.416 120.300 0.077 0.000 2.300 1025 Y HA 0.191 4.741 4.550 -0.000 0.000 0.328 1025 Y C 2.151 178.016 175.900 -0.058 0.000 1.270 1025 Y CA -0.003 58.095 58.100 -0.002 0.000 1.352 1025 Y CB 1.232 39.692 38.460 -0.001 0.000 1.286 1025 Y HN 0.764 nan 8.280 nan 0.000 0.536 1026 T N -3.050 111.526 114.554 0.037 0.000 3.077 1026 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 1026 T C 0.767 175.432 174.700 -0.058 0.000 1.146 1026 T CA 1.217 63.246 62.100 -0.117 0.000 1.091 1026 T CB -0.294 68.401 68.868 -0.289 0.000 0.892 1026 T HN 0.757 nan 8.240 nan 0.000 0.533 1027 D N 0.137 120.550 120.400 0.022 0.000 2.369 1027 D HA 0.263 4.903 4.640 -0.000 0.000 0.211 1027 D C 1.570 177.913 176.300 0.072 0.000 1.077 1027 D CA 0.558 54.572 54.000 0.022 0.000 0.842 1027 D CB -0.187 40.623 40.800 0.017 0.000 0.947 1027 D HN 0.500 nan 8.370 nan 0.000 0.509 1028 G N 0.426 109.294 108.800 0.115 0.000 2.481 1028 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.200 1028 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.200 1028 G C 0.318 175.460 174.900 0.403 0.000 1.012 1028 G CA 0.115 45.365 45.100 0.250 0.000 0.676 1028 G HN 0.652 nan 8.290 nan 0.000 0.488 1029 S N 0.367 116.241 115.700 0.290 0.000 2.580 1029 S HA 0.708 5.178 4.470 -0.000 0.000 0.274 1029 S C 0.063 174.850 174.600 0.312 0.000 1.329 1029 S CA -0.307 58.062 58.200 0.283 0.000 1.036 1029 S CB 2.578 65.908 63.200 0.218 0.000 0.919 1029 S HN 0.953 nan 8.310 nan 0.000 0.515 1030 V N 2.598 122.663 119.914 0.252 0.000 2.630 1030 V HA 0.536 4.656 4.120 -0.000 0.000 0.305 1030 V C -0.637 175.593 176.094 0.226 0.000 1.046 1030 V CA -0.841 61.583 62.300 0.206 0.000 0.934 1030 V CB 1.599 33.514 31.823 0.153 0.000 1.003 1030 V HN 0.834 nan 8.190 nan 0.000 0.451 1031 L N 5.557 126.903 121.223 0.205 0.000 2.388 1031 L HA 0.537 4.877 4.340 -0.000 0.000 0.267 1031 L C -0.818 176.157 176.870 0.174 0.000 0.995 1031 L CA 0.227 55.218 54.840 0.252 0.000 0.864 1031 L CB 1.028 43.315 42.059 0.379 0.000 1.216 1031 L HN 0.520 nan 8.230 nan 0.000 0.430 1032 L N 3.403 124.710 121.223 0.141 0.000 2.322 1032 L HA 0.694 5.034 4.340 -0.000 0.000 0.279 1032 L C -0.147 176.803 176.870 0.132 0.000 1.036 1032 L CA -0.251 54.649 54.840 0.100 0.000 0.807 1032 L CB 1.995 44.099 42.059 0.076 0.000 1.226 1032 L HN 0.683 nan 8.230 nan 0.000 0.433 1033 T N 2.424 117.061 114.554 0.138 0.000 2.923 1033 T HA 0.553 4.903 4.350 -0.000 0.000 0.311 1033 T C -1.228 173.591 174.700 0.199 0.000 1.183 1033 T CA -0.593 61.612 62.100 0.175 0.000 1.020 1033 T CB 1.105 70.031 68.868 0.096 0.000 1.165 1033 T HN 0.790 nan 8.240 nan 0.000 0.482 1034 H N 0.913 120.018 119.070 0.058 0.000 2.980 1034 H HA 0.492 5.048 4.556 -0.000 0.000 0.367 1034 H C 1.072 176.414 175.328 0.023 0.000 1.206 1034 H CA -0.420 55.647 56.048 0.031 0.000 1.126 1034 H CB 1.206 30.983 29.762 0.026 0.000 1.838 1034 H HN 0.793 nan 8.280 nan 0.000 0.552 1035 G N 0.468 109.236 108.800 -0.055 0.000 2.501 1035 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.220 1035 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.220 1035 G C 0.690 175.470 174.900 -0.199 0.000 1.114 1035 G CA 0.609 45.635 45.100 -0.124 0.000 0.757 1035 G HN 0.863 nan 8.290 nan 0.000 0.559 1036 G N -0.988 107.635 108.800 -0.294 0.000 2.461 1036 G HA2 0.522 4.482 3.960 -0.000 0.000 0.329 1036 G HA3 0.522 4.482 3.960 -0.000 0.000 0.329 1036 G C -0.320 174.406 174.900 -0.290 0.000 1.170 1036 G CA 0.250 45.249 45.100 -0.169 0.000 0.935 1036 G HN 0.441 nan 8.290 nan 0.000 0.492 1037 T N -2.036 112.412 114.554 -0.176 0.000 2.885 1037 T HA 0.556 4.906 4.350 -0.000 0.000 0.285 1037 T C -0.505 174.104 174.700 -0.151 0.000 1.019 1037 T CA -0.745 61.266 62.100 -0.149 0.000 1.010 1037 T CB 2.243 71.060 68.868 -0.085 0.000 1.022 1037 T HN 0.450 nan 8.240 nan 0.000 0.466 1038 E N 2.082 122.234 120.200 -0.079 0.000 2.129 1038 E HA 0.333 4.683 4.350 -0.000 0.000 0.283 1038 E C 0.068 176.666 176.600 -0.003 0.000 1.080 1038 E CA -0.169 56.212 56.400 -0.031 0.000 0.867 1038 E CB 0.417 30.222 29.700 0.174 0.000 1.056 1038 E HN 0.688 nan 8.360 nan 0.000 0.404 1039 M N 3.727 123.296 119.600 -0.051 0.000 2.549 1039 M HA 0.292 4.772 4.480 -0.000 0.000 0.273 1039 M C 0.580 176.852 176.300 -0.046 0.000 1.213 1039 M CA 0.259 55.510 55.300 -0.083 0.000 0.976 1039 M CB 0.492 32.974 32.600 -0.197 0.000 1.457 1039 M HN 0.713 nan 8.290 nan 0.000 0.485 1040 G N 3.046 111.883 108.800 0.060 0.000 2.587 1040 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.245 1040 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.245 1040 G C 0.008 174.958 174.900 0.083 0.000 0.959 1040 G CA 0.461 45.638 45.100 0.129 0.000 1.268 1040 G HN 0.692 nan 8.290 nan 0.000 0.448 1041 Q N 0.923 120.792 119.800 0.115 0.000 1.512 1041 Q HA 0.218 4.558 4.340 -0.000 0.000 0.144 1041 Q C 1.142 177.118 176.000 -0.041 0.000 0.759 1041 Q CA 1.127 56.937 55.803 0.011 0.000 0.703 1041 Q CB -0.370 28.333 28.738 -0.059 0.000 1.181 1041 Q HN 2.517 nan 8.270 nan 0.000 0.344 1042 G N 2.276 111.020 108.800 -0.094 0.000 2.148 1042 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.254 1042 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.254 1042 G C 0.665 175.439 174.900 -0.210 0.000 0.981 1042 G CA 0.572 45.505 45.100 -0.280 0.000 0.670 1042 G HN 0.360 nan 8.290 nan 0.000 0.528 1043 L N 0.466 121.583 121.223 -0.176 0.000 1.997 1043 L HA -0.069 4.271 4.340 -0.000 0.000 0.216 1043 L C 2.419 179.181 176.870 -0.180 0.000 1.074 1043 L CA 3.214 57.941 54.840 -0.187 0.000 0.763 1043 L CB -1.136 40.786 42.059 -0.227 0.000 0.890 1043 L HN 0.575 nan 8.230 nan 0.000 0.434 1044 H N -1.642 117.371 119.070 -0.094 0.000 2.321 1044 H HA -0.114 4.442 4.556 -0.000 0.000 0.300 1044 H C 1.980 177.207 175.328 -0.169 0.000 1.087 1044 H CA 1.805 57.791 56.048 -0.103 0.000 1.319 1044 H CB -0.202 29.516 29.762 -0.074 0.000 1.379 1044 H HN 0.382 nan 8.280 nan 0.000 0.501 1045 T N 0.686 115.180 114.554 -0.101 0.000 2.833 1045 T HA -0.121 4.229 4.350 -0.000 0.000 0.269 1045 T C 1.686 176.321 174.700 -0.109 0.000 1.054 1045 T CA 1.277 63.296 62.100 -0.134 0.000 1.135 1045 T CB -0.041 68.694 68.868 -0.223 0.000 0.869 1045 T HN 0.342 nan 8.240 nan 0.000 0.466 1046 K N 0.480 120.809 120.400 -0.118 0.000 2.062 1046 K HA 0.122 4.442 4.320 -0.000 0.000 0.205 1046 K C 2.374 178.910 176.600 -0.105 0.000 1.051 1046 K CA 0.840 57.067 56.287 -0.101 0.000 0.941 1046 K CB -0.147 32.295 32.500 -0.096 0.000 0.719 1046 K HN 0.162 nan 8.250 nan 0.000 0.440 1047 M N 0.693 120.210 119.600 -0.139 0.000 2.149 1047 M HA -0.135 4.345 4.480 -0.000 0.000 0.261 1047 M C 2.262 178.495 176.300 -0.111 0.000 1.064 1047 M CA 1.250 56.444 55.300 -0.176 0.000 1.102 1047 M CB -0.696 31.683 32.600 -0.369 0.000 1.369 1047 M HN -0.027 nan 8.290 nan 0.000 0.408 1048 V N 0.369 120.232 119.914 -0.085 0.000 2.295 1048 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 1048 V C 2.399 178.450 176.094 -0.072 0.000 1.049 1048 V CA 1.699 63.959 62.300 -0.068 0.000 1.024 1048 V CB -0.498 31.287 31.823 -0.062 0.000 0.648 1048 V HN 0.521 nan 8.190 nan 0.000 0.447 1049 Q N -0.895 118.858 119.800 -0.079 0.000 2.062 1049 Q HA -0.240 4.100 4.340 -0.000 0.000 0.209 1049 Q C 2.232 178.163 176.000 -0.115 0.000 0.996 1049 Q CA 2.452 58.199 55.803 -0.092 0.000 0.859 1049 Q CB -0.483 28.199 28.738 -0.092 0.000 0.920 1049 Q HN 0.551 nan 8.270 nan 0.000 0.415 1050 V N 0.961 120.818 119.914 -0.095 0.000 2.214 1050 V HA -0.330 3.790 4.120 -0.000 0.000 0.244 1050 V C 2.248 178.324 176.094 -0.030 0.000 1.045 1050 V CA 2.078 64.344 62.300 -0.057 0.000 0.993 1050 V CB -1.157 30.695 31.823 0.050 0.000 0.633 1050 V HN 0.503 nan 8.190 nan 0.000 0.449 1051 A N -0.203 122.603 122.820 -0.022 0.000 2.084 1051 A HA -0.244 4.076 4.320 -0.000 0.000 0.221 1051 A C 2.533 180.072 177.584 -0.075 0.000 1.161 1051 A CA 2.298 54.315 52.037 -0.032 0.000 0.653 1051 A CB -0.723 18.261 19.000 -0.027 0.000 0.802 1051 A HN 0.669 nan 8.150 nan 0.000 0.457 1052 S N -0.217 115.429 115.700 -0.090 0.000 2.383 1052 S HA -0.196 4.274 4.470 -0.000 0.000 0.227 1052 S C 2.147 176.677 174.600 -0.118 0.000 1.026 1052 S CA 1.312 59.442 58.200 -0.117 0.000 0.981 1052 S CB -0.391 62.746 63.200 -0.105 0.000 0.818 1052 S HN 0.678 nan 8.310 nan 0.000 0.472 1053 R N 0.535 120.966 120.500 -0.114 0.000 2.115 1053 R HA 0.135 4.475 4.340 -0.000 0.000 0.226 1053 R C 2.332 178.601 176.300 -0.051 0.000 1.100 1053 R CA 1.130 57.161 56.100 -0.116 0.000 0.980 1053 R CB -0.682 29.476 30.300 -0.238 0.000 0.875 1053 R HN 0.506 nan 8.270 nan 0.000 0.445 1054 A N 0.573 123.372 122.820 -0.034 0.000 1.929 1054 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 1054 A C 1.757 179.296 177.584 -0.075 0.000 1.176 1054 A CA 0.841 52.851 52.037 -0.044 0.000 0.628 1054 A CB -0.054 18.873 19.000 -0.120 0.000 0.816 1054 A HN 0.290 nan 8.150 nan 0.000 0.444 1055 L N -1.595 119.572 121.223 -0.093 0.000 2.554 1055 L HA 0.230 4.570 4.340 -0.000 0.000 0.225 1055 L C 0.646 177.446 176.870 -0.116 0.000 1.104 1055 L CA 0.619 55.397 54.840 -0.103 0.000 0.866 1055 L CB -0.142 41.800 42.059 -0.195 0.000 1.047 1055 L HN 0.337 nan 8.230 nan 0.000 0.468 1056 K N 0.886 121.222 120.400 -0.107 0.000 3.161 1056 K HA -0.154 4.166 4.320 -0.000 0.000 0.270 1056 K C -0.290 176.228 176.600 -0.136 0.000 1.115 1056 K CA 0.671 56.916 56.287 -0.070 0.000 0.789 1056 K CB -1.560 30.949 32.500 0.014 0.000 1.256 1056 K HN 0.450 nan 8.250 nan 0.000 0.492 1057 I N -3.457 116.962 120.570 -0.251 0.000 3.002 1057 I HA 0.652 4.822 4.170 -0.000 0.000 0.310 1057 I C -2.637 173.351 176.117 -0.215 0.000 1.087 1057 I CA -2.984 58.120 61.300 -0.326 0.000 1.017 1057 I CB 2.034 39.621 38.000 -0.688 0.000 1.226 1057 I HN -0.264 nan 8.210 nan 0.000 0.443 1058 P HA 0.086 nan 4.420 nan 0.000 0.276 1058 P C 0.909 178.154 177.300 -0.093 0.000 1.230 1058 P CA -0.057 62.982 63.100 -0.101 0.000 0.776 1058 P CB 0.960 32.618 31.700 -0.070 0.000 0.888 1059 T N 1.646 116.158 114.554 -0.069 0.000 2.668 1059 T HA -0.316 4.034 4.350 -0.000 0.000 0.265 1059 T C 1.883 176.570 174.700 -0.021 0.000 1.041 1059 T CA 2.914 64.986 62.100 -0.048 0.000 1.160 1059 T CB -1.032 67.815 68.868 -0.036 0.000 0.857 1059 T HN 0.497 nan 8.240 nan 0.000 0.455 1060 S N 0.022 115.715 115.700 -0.012 0.000 2.441 1060 S HA -0.138 4.332 4.470 -0.000 0.000 0.242 1060 S C 1.965 176.578 174.600 0.022 0.000 1.018 1060 S CA 1.705 59.911 58.200 0.011 0.000 0.988 1060 S CB -0.514 62.688 63.200 0.004 0.000 0.778 1060 S HN 0.769 nan 8.310 nan 0.000 0.498 1061 K N -0.370 120.027 120.400 -0.005 0.000 2.353 1061 K HA 0.387 4.707 4.320 -0.000 0.000 0.195 1061 K C -0.223 176.405 176.600 0.047 0.000 1.031 1061 K CA 0.002 56.294 56.287 0.010 0.000 1.079 1061 K CB 0.321 32.791 32.500 -0.050 0.000 0.857 1061 K HN 0.430 nan 8.250 nan 0.000 0.535 1062 I N 1.212 121.808 120.570 0.044 0.000 2.354 1062 I HA 0.161 4.331 4.170 -0.000 0.000 0.292 1062 I C -0.869 175.339 176.117 0.152 0.000 0.989 1062 I CA -0.939 60.408 61.300 0.079 0.000 1.188 1062 I CB 0.901 38.907 38.000 0.010 0.000 1.342 1062 I HN -0.073 nan 8.210 nan 0.000 0.457 1063 Y N 7.149 127.471 120.300 0.038 0.000 2.429 1063 Y HA 0.675 5.225 4.550 -0.000 0.000 0.342 1063 Y C -0.737 175.179 175.900 0.027 0.000 1.004 1063 Y CA -0.711 57.404 58.100 0.025 0.000 1.075 1063 Y CB 1.397 39.876 38.460 0.032 0.000 1.214 1063 Y HN 0.334 nan 8.280 nan 0.000 0.455 1064 I N 3.980 124.317 120.570 -0.389 0.000 2.474 1064 I HA 0.288 4.458 4.170 -0.000 0.000 0.294 1064 I C 0.351 176.127 176.117 -0.569 0.000 1.005 1064 I CA -0.273 60.847 61.300 -0.300 0.000 1.113 1064 I CB 2.101 39.924 38.000 -0.296 0.000 1.289 1064 I HN 0.709 nan 8.210 nan 0.000 0.436 1065 S N 4.404 120.013 115.700 -0.151 0.000 2.620 1065 S HA 0.245 4.715 4.470 -0.000 0.000 0.234 1065 S C 0.198 174.759 174.600 -0.065 0.000 1.064 1065 S CA 0.270 58.462 58.200 -0.012 0.000 0.920 1065 S CB 0.285 63.648 63.200 0.272 0.000 0.826 1065 S HN 0.798 nan 8.310 nan 0.000 0.557 1066 E N -0.645 119.536 120.200 -0.032 0.000 2.447 1066 E HA 0.473 4.823 4.350 -0.000 0.000 0.279 1066 E C -1.683 174.925 176.600 0.013 0.000 1.053 1066 E CA -1.059 55.337 56.400 -0.007 0.000 0.840 1066 E CB 0.939 30.664 29.700 0.041 0.000 1.409 1066 E HN 0.015 nan 8.360 nan 0.000 0.461 1067 T N 0.908 115.473 114.554 0.019 0.000 2.771 1067 T HA 0.609 4.959 4.350 -0.000 0.000 0.281 1067 T C -0.739 173.952 174.700 -0.016 0.000 0.982 1067 T CA -0.622 61.467 62.100 -0.017 0.000 0.978 1067 T CB 1.225 70.059 68.868 -0.057 0.000 0.930 1067 T HN 0.515 nan 8.240 nan 0.000 0.447 1068 S N 1.207 116.895 115.700 -0.019 0.000 2.618 1068 S HA 0.598 5.068 4.470 -0.000 0.000 0.277 1068 S C 0.299 174.884 174.600 -0.026 0.000 1.138 1068 S CA -0.581 57.606 58.200 -0.022 0.000 0.844 1068 S CB 1.800 64.997 63.200 -0.005 0.000 1.127 1068 S HN 0.761 nan 8.310 nan 0.000 0.474 1069 T N 0.344 114.877 114.554 -0.035 0.000 3.256 1069 T HA 0.370 4.720 4.350 -0.000 0.000 0.237 1069 T C 0.296 174.984 174.700 -0.019 0.000 0.908 1069 T CA 0.174 62.255 62.100 -0.033 0.000 0.966 1069 T CB -1.922 66.920 68.868 -0.044 0.000 1.134 1069 T HN 0.868 nan 8.240 nan 0.000 0.573 1070 N N -1.589 117.109 118.700 -0.004 0.000 1.903 1070 N HA -0.066 4.674 4.740 -0.000 0.000 0.220 1070 N C 1.105 176.633 175.510 0.031 0.000 1.427 1070 N CA 0.192 53.248 53.050 0.010 0.000 0.697 1070 N CB -0.002 38.488 38.487 0.004 0.000 1.097 1070 N HN 0.272 nan 8.380 nan 0.000 0.564 1071 T N -2.042 112.531 114.554 0.032 0.000 2.953 1071 T HA 0.181 4.531 4.350 -0.000 0.000 0.247 1071 T C 0.571 175.294 174.700 0.038 0.000 1.029 1071 T CA 0.738 62.870 62.100 0.053 0.000 1.144 1071 T CB 0.361 69.270 68.868 0.068 0.000 0.870 1071 T HN 0.114 nan 8.240 nan 0.000 0.446 1072 V N 3.604 123.528 119.914 0.017 0.000 2.624 1072 V HA 0.600 4.720 4.120 -0.000 0.000 0.294 1072 V C -3.070 173.019 176.094 -0.007 0.000 1.077 1072 V CA -2.007 60.300 62.300 0.012 0.000 0.905 1072 V CB 2.376 34.204 31.823 0.008 0.000 1.025 1072 V HN 0.302 nan 8.190 nan 0.000 0.440 1073 P HA 0.621 nan 4.420 nan 0.000 0.285 1073 P C -0.882 176.403 177.300 -0.024 0.000 1.280 1073 P CA -0.353 62.740 63.100 -0.012 0.000 0.862 1073 P CB 1.124 32.824 31.700 0.001 0.000 1.153 1074 N N -1.657 117.020 118.700 -0.038 0.000 2.858 1074 N HA -0.063 4.677 4.740 -0.000 0.000 0.247 1074 N C -0.612 174.853 175.510 -0.075 0.000 1.092 1074 N CA 0.838 53.856 53.050 -0.052 0.000 0.675 1074 N CB -2.297 36.167 38.487 -0.038 0.000 0.959 1074 N HN 0.661 nan 8.380 nan 0.000 0.558 1075 T N -2.880 111.629 114.554 -0.075 0.000 2.895 1075 T HA 0.689 5.039 4.350 -0.000 0.000 0.283 1075 T C 0.597 175.243 174.700 -0.089 0.000 1.014 1075 T CA -0.650 61.400 62.100 -0.083 0.000 1.037 1075 T CB 2.214 71.039 68.868 -0.071 0.000 1.006 1075 T HN 0.064 nan 8.240 nan 0.000 0.468 1076 S N 2.855 118.498 115.700 -0.096 0.000 2.617 1076 S HA 0.447 4.917 4.470 -0.000 0.000 0.269 1076 S C -2.167 172.405 174.600 -0.047 0.000 1.292 1076 S CA -0.879 57.243 58.200 -0.130 0.000 1.010 1076 S CB -0.040 63.012 63.200 -0.247 0.000 0.944 1076 S HN 0.627 nan 8.310 nan 0.000 0.536 1077 P HA 0.007 nan 4.420 nan 0.000 0.267 1077 P C -0.587 176.792 177.300 0.132 0.000 1.195 1077 P CA 0.223 63.361 63.100 0.064 0.000 0.773 1077 P CB 0.078 31.853 31.700 0.125 0.000 0.837 1078 T N 2.088 116.674 114.554 0.053 0.000 2.992 1078 T HA 0.450 4.800 4.350 -0.000 0.000 0.299 1078 T C 0.595 175.318 174.700 0.038 0.000 1.027 1078 T CA 0.276 62.399 62.100 0.038 0.000 1.001 1078 T CB -0.173 68.677 68.868 -0.029 0.000 1.005 1078 T HN 0.422 nan 8.240 nan 0.000 0.599 1079 A N 2.790 125.674 122.820 0.105 0.000 2.446 1079 A HA 0.839 5.159 4.320 -0.000 0.000 0.199 1079 A C 1.298 178.845 177.584 -0.062 0.000 1.677 1079 A CA 0.040 52.118 52.037 0.068 0.000 1.600 1079 A CB -0.491 18.670 19.000 0.268 0.000 1.583 1079 A HN 0.610 nan 8.150 nan 0.000 0.551 1080 A N -0.139 122.522 122.820 -0.265 0.000 2.604 1080 A HA 0.488 4.808 4.320 -0.000 0.000 0.248 1080 A C 0.906 178.396 177.584 -0.158 0.000 1.466 1080 A CA 1.063 52.947 52.037 -0.255 0.000 1.222 1080 A CB -1.357 17.402 19.000 -0.403 0.000 0.945 1080 A HN 1.500 nan 8.150 nan 0.000 0.600 1081 S N -2.974 112.660 115.700 -0.110 0.000 2.154 1081 S HA -0.266 4.204 4.470 -0.000 0.000 0.247 1081 S C 1.204 175.774 174.600 -0.051 0.000 1.170 1081 S CA 1.447 59.600 58.200 -0.079 0.000 1.419 1081 S CB -2.257 60.890 63.200 -0.088 0.000 1.768 1081 S HN 1.669 nan 8.310 nan 0.000 0.587 1082 V N 0.960 120.826 119.914 -0.080 0.000 3.354 1082 V HA 0.113 4.233 4.120 -0.000 0.000 0.258 1082 V C 2.189 178.308 176.094 0.042 0.000 1.159 1082 V CA 1.393 63.683 62.300 -0.016 0.000 1.125 1082 V CB -0.350 31.450 31.823 -0.038 0.000 0.774 1082 V HN 0.890 nan 8.190 nan 0.000 0.464 1083 S N 2.439 118.162 115.700 0.038 0.000 2.441 1083 S HA -0.377 4.093 4.470 -0.000 0.000 0.249 1083 S C 1.957 176.579 174.600 0.037 0.000 1.097 1083 S CA 2.405 60.639 58.200 0.056 0.000 1.080 1083 S CB -1.148 62.069 63.200 0.028 0.000 0.914 1083 S HN 1.277 nan 8.310 nan 0.000 0.464 1084 A N 2.124 124.952 122.820 0.013 0.000 1.903 1084 A HA 0.043 4.363 4.320 -0.000 0.000 0.213 1084 A C 1.918 179.507 177.584 0.008 0.000 1.185 1084 A CA 1.177 53.210 52.037 -0.006 0.000 0.628 1084 A CB -0.544 18.446 19.000 -0.016 0.000 0.830 1084 A HN 0.578 nan 8.150 nan 0.000 0.446 1085 D N 0.854 121.280 120.400 0.042 0.000 2.097 1085 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 1085 D C 1.886 178.211 176.300 0.040 0.000 0.984 1085 D CA 1.221 55.251 54.000 0.050 0.000 0.826 1085 D CB -0.578 40.302 40.800 0.133 0.000 0.973 1085 D HN 0.479 nan 8.370 nan 0.000 0.460 1086 L N 0.577 121.864 121.223 0.107 0.000 2.156 1086 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 1086 L C 1.979 178.899 176.870 0.084 0.000 1.095 1086 L CA 0.830 55.765 54.840 0.158 0.000 0.770 1086 L CB -0.455 41.731 42.059 0.212 0.000 0.914 1086 L HN -0.025 nan 8.230 nan 0.000 0.439 1087 N N 0.654 119.389 118.700 0.058 0.000 2.290 1087 N HA -0.065 4.675 4.740 -0.000 0.000 0.179 1087 N C 2.014 177.514 175.510 -0.016 0.000 1.016 1087 N CA 1.246 54.326 53.050 0.050 0.000 0.871 1087 N CB -0.274 38.296 38.487 0.139 0.000 0.987 1087 N HN 0.357 nan 8.380 nan 0.000 0.431 1088 G N 1.477 110.252 108.800 -0.041 0.000 2.556 1088 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.220 1088 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.220 1088 G C 1.604 176.469 174.900 -0.059 0.000 1.156 1088 G CA 1.209 46.284 45.100 -0.040 0.000 0.766 1088 G HN 0.315 nan 8.290 nan 0.000 0.583 1089 Q N -0.127 119.571 119.800 -0.171 0.000 2.137 1089 Q HA 0.338 4.678 4.340 -0.000 0.000 0.198 1089 Q C 2.790 178.751 176.000 -0.064 0.000 0.960 1089 Q CA 1.387 57.008 55.803 -0.304 0.000 0.847 1089 Q CB -0.353 27.823 28.738 -0.936 0.000 0.915 1089 Q HN 0.410 nan 8.270 nan 0.000 0.448 1090 A N -0.576 122.256 122.820 0.020 0.000 1.933 1090 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 1090 A C 2.181 179.828 177.584 0.104 0.000 1.175 1090 A CA 1.500 53.599 52.037 0.103 0.000 0.628 1090 A CB -0.806 18.244 19.000 0.083 0.000 0.814 1090 A HN 0.258 nan 8.150 nan 0.000 0.444 1091 V N -1.357 118.601 119.914 0.074 0.000 2.255 1091 V HA -0.330 3.790 4.120 -0.000 0.000 0.247 1091 V C 2.338 178.499 176.094 0.112 0.000 1.051 1091 V CA 2.238 64.578 62.300 0.068 0.000 1.018 1091 V CB -1.100 30.735 31.823 0.020 0.000 0.641 1091 V HN 0.728 nan 8.190 nan 0.000 0.445 1092 Y N 1.025 121.324 120.300 -0.001 0.000 2.151 1092 Y HA -0.311 4.239 4.550 -0.000 0.000 0.284 1092 Y C 2.360 178.271 175.900 0.017 0.000 1.166 1092 Y CA 1.866 59.971 58.100 0.009 0.000 1.163 1092 Y CB -0.330 38.108 38.460 -0.037 0.000 0.974 1092 Y HN 0.191 nan 8.280 nan 0.000 0.511 1093 A N 0.389 123.383 122.820 0.291 0.000 1.858 1093 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 1093 A C 2.402 180.057 177.584 0.119 0.000 1.190 1093 A CA 1.915 54.089 52.037 0.229 0.000 0.617 1093 A CB -1.557 17.567 19.000 0.207 0.000 0.827 1093 A HN 0.606 nan 8.150 nan 0.000 0.443 1094 A N -0.951 121.926 122.820 0.096 0.000 1.902 1094 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 1094 A C 2.323 179.923 177.584 0.028 0.000 1.181 1094 A CA 1.653 53.725 52.037 0.058 0.000 0.623 1094 A CB -1.418 17.611 19.000 0.049 0.000 0.818 1094 A HN 0.602 nan 8.150 nan 0.000 0.443 1095 C N -0.795 118.507 119.300 0.003 0.000 2.367 1095 C HA -0.203 4.257 4.460 -0.000 0.000 0.276 1095 C C 2.963 177.924 174.990 -0.049 0.000 1.195 1095 C CA 1.452 60.447 59.018 -0.039 0.000 1.756 1095 C CB -1.244 26.430 27.740 -0.109 0.000 2.046 1095 C HN 0.632 nan 8.230 nan 0.000 0.453 1096 Q N -0.017 119.724 119.800 -0.097 0.000 2.096 1096 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 1096 Q C 2.156 178.157 176.000 0.001 0.000 0.982 1096 Q CA 2.342 58.104 55.803 -0.068 0.000 0.850 1096 Q CB -1.086 27.625 28.738 -0.043 0.000 0.901 1096 Q HN 0.776 nan 8.270 nan 0.000 0.422 1097 T N 0.980 115.548 114.554 0.024 0.000 2.833 1097 T HA -0.091 4.259 4.350 -0.000 0.000 0.269 1097 T C 1.985 176.704 174.700 0.031 0.000 1.054 1097 T CA 0.864 62.983 62.100 0.032 0.000 1.135 1097 T CB -0.123 68.769 68.868 0.039 0.000 0.869 1097 T HN 0.148 nan 8.240 nan 0.000 0.466 1098 I N 0.201 120.793 120.570 0.037 0.000 2.406 1098 I HA 0.011 4.181 4.170 -0.000 0.000 0.249 1098 I C 1.904 178.060 176.117 0.065 0.000 1.122 1098 I CA 0.781 62.114 61.300 0.055 0.000 1.431 1098 I CB -0.072 37.975 38.000 0.078 0.000 1.087 1098 I HN 0.154 nan 8.210 nan 0.000 0.424 1099 L N 0.099 121.363 121.223 0.069 0.000 2.217 1099 L HA -0.160 4.180 4.340 -0.000 0.000 0.211 1099 L C 2.341 179.224 176.870 0.023 0.000 1.107 1099 L CA 0.936 55.815 54.840 0.066 0.000 0.783 1099 L CB -0.521 41.566 42.059 0.048 0.000 0.919 1099 L HN 0.064 nan 8.230 nan 0.000 0.442 1100 K N 0.481 120.893 120.400 0.019 0.000 2.147 1100 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 1100 K C 2.209 178.824 176.600 0.025 0.000 1.049 1100 K CA 1.358 57.653 56.287 0.014 0.000 0.936 1100 K CB -0.011 32.500 32.500 0.018 0.000 0.722 1100 K HN 0.096 nan 8.250 nan 0.000 0.446 1101 R N -0.568 119.951 120.500 0.032 0.000 2.115 1101 R HA 0.078 4.418 4.340 -0.000 0.000 0.226 1101 R C 1.992 178.341 176.300 0.081 0.000 1.100 1101 R CA 1.163 57.290 56.100 0.045 0.000 0.980 1101 R CB -0.052 30.261 30.300 0.022 0.000 0.875 1101 R HN 0.180 nan 8.270 nan 0.000 0.445 1102 L N 0.031 121.281 121.223 0.045 0.000 2.307 1102 L HA -0.028 4.312 4.340 -0.000 0.000 0.211 1102 L C 2.046 178.932 176.870 0.027 0.000 1.099 1102 L CA 0.339 55.204 54.840 0.042 0.000 0.816 1102 L CB -0.315 41.728 42.059 -0.028 0.000 0.952 1102 L HN 0.150 nan 8.230 nan 0.000 0.455 1103 E N 0.715 120.888 120.200 -0.044 0.000 2.239 1103 E HA -0.292 4.058 4.350 -0.000 0.000 0.240 1103 E C -0.336 176.179 176.600 -0.141 0.000 1.079 1103 E CA 2.565 58.898 56.400 -0.111 0.000 0.991 1103 E CB -1.709 27.948 29.700 -0.071 0.000 0.863 1103 E HN 0.343 nan 8.360 nan 0.000 0.491 1104 P HA -0.175 nan 4.420 nan 0.000 0.217 1104 P C 1.048 178.079 177.300 -0.448 0.000 1.148 1104 P CA 1.633 64.536 63.100 -0.329 0.000 0.834 1104 P CB -0.258 31.148 31.700 -0.490 0.000 0.783 1105 Y N -1.226 118.974 120.300 -0.166 0.000 2.448 1105 Y HA 0.102 4.652 4.550 -0.000 0.000 0.289 1105 Y C 2.405 178.146 175.900 -0.266 0.000 1.114 1105 Y CA 0.550 58.584 58.100 -0.109 0.000 1.235 1105 Y CB -0.625 37.827 38.460 -0.013 0.000 1.045 1105 Y HN -0.163 nan 8.280 nan 0.000 0.554 1106 K N 0.967 121.037 120.400 -0.550 0.000 2.025 1106 K HA -0.208 4.112 4.320 -0.000 0.000 0.207 1106 K C 1.993 178.408 176.600 -0.307 0.000 1.049 1106 K CA 1.344 57.024 56.287 -1.012 0.000 0.933 1106 K CB -0.041 31.826 32.500 -1.056 0.000 0.714 1106 K HN 0.111 nan 8.250 nan 0.000 0.438 1107 K N 1.362 121.626 120.400 -0.227 0.000 1.977 1107 K HA -0.152 4.168 4.320 -0.000 0.000 0.218 1107 K C 1.762 178.333 176.600 -0.049 0.000 1.051 1107 K CA 1.928 58.146 56.287 -0.115 0.000 0.953 1107 K CB -0.066 32.359 32.500 -0.124 0.000 0.727 1107 K HN 0.012 nan 8.250 nan 0.000 0.445 1108 K N -0.086 120.276 120.400 -0.063 0.000 2.442 1108 K HA -0.157 4.163 4.320 -0.000 0.000 0.200 1108 K C 0.456 177.100 176.600 0.074 0.000 1.045 1108 K CA 1.005 57.286 56.287 -0.010 0.000 0.937 1108 K CB -0.183 32.293 32.500 -0.041 0.000 0.757 1108 K HN 0.154 nan 8.250 nan 0.000 0.474 1109 N N -0.742 118.051 118.700 0.156 0.000 2.620 1109 N HA 0.068 4.808 4.740 -0.000 0.000 0.277 1109 N C -2.541 173.177 175.510 0.347 0.000 1.726 1109 N CA -1.271 51.923 53.050 0.241 0.000 0.840 1109 N CB 0.726 39.379 38.487 0.277 0.000 1.379 1109 N HN -0.164 nan 8.380 nan 0.000 0.506 1110 P HA 0.048 nan 4.420 nan 0.000 0.244 1110 P C 0.076 177.561 177.300 0.308 0.000 1.211 1110 P CA 0.560 63.831 63.100 0.285 0.000 0.760 1110 P CB -0.240 31.542 31.700 0.135 0.000 0.961 1111 S N -1.993 113.845 115.700 0.230 0.000 2.651 1111 S HA 0.491 4.961 4.470 -0.000 0.000 0.246 1111 S C 0.781 175.427 174.600 0.076 0.000 1.039 1111 S CA -0.586 57.704 58.200 0.150 0.000 1.013 1111 S CB 0.021 63.278 63.200 0.095 0.000 0.861 1111 S HN 0.121 nan 8.310 nan 0.000 0.485 1112 G N 1.194 110.029 108.800 0.059 0.000 2.471 1112 G HA2 0.564 4.524 3.960 -0.000 0.000 0.332 1112 G HA3 0.564 4.524 3.960 -0.000 0.000 0.332 1112 G C -0.278 174.285 174.900 -0.563 0.000 1.176 1112 G CA -0.774 44.217 45.100 -0.182 0.000 0.949 1112 G HN 0.420 nan 8.290 nan 0.000 0.488 1113 S N 0.354 115.774 115.700 -0.466 0.000 2.573 1113 S HA -0.034 4.436 4.470 -0.000 0.000 0.277 1113 S C 1.048 175.204 174.600 -0.739 0.000 1.346 1113 S CA -0.534 57.402 58.200 -0.440 0.000 1.034 1113 S CB 1.042 64.124 63.200 -0.195 0.000 0.879 1113 S HN 0.794 nan 8.310 nan 0.000 0.528 1114 W N 2.272 123.187 121.300 -0.642 0.000 2.331 1114 W HA -0.197 4.463 4.660 -0.000 0.000 0.291 1114 W C 0.784 177.204 176.519 -0.164 0.000 1.214 1114 W CA 1.951 59.071 57.345 -0.374 0.000 1.228 1114 W CB -0.514 28.894 29.460 -0.086 0.000 1.135 1114 W HN 0.789 nan 8.180 nan 0.000 0.537 1115 E N 0.721 120.834 120.200 -0.144 0.000 2.150 1115 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 1115 E C 1.642 178.110 176.600 -0.220 0.000 0.985 1115 E CA 1.822 58.123 56.400 -0.165 0.000 0.814 1115 E CB -0.683 28.996 29.700 -0.036 0.000 0.752 1115 E HN 0.128 nan 8.360 nan 0.000 0.466 1116 D N -0.810 119.434 120.400 -0.259 0.000 2.097 1116 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 1116 D C 1.334 177.556 176.300 -0.131 0.000 0.984 1116 D CA 0.812 54.685 54.000 -0.211 0.000 0.826 1116 D CB -0.089 40.541 40.800 -0.284 0.000 0.973 1116 D HN 0.269 nan 8.370 nan 0.000 0.460 1117 W N 0.707 121.938 121.300 -0.116 0.000 2.465 1117 W HA -0.004 4.656 4.660 -0.000 0.000 0.268 1117 W C 1.966 178.304 176.519 -0.301 0.000 1.242 1117 W CA 0.188 57.445 57.345 -0.147 0.000 1.248 1117 W CB -1.107 28.293 29.460 -0.099 0.000 1.118 1117 W HN -0.084 nan 8.180 nan 0.000 0.587 1118 V N 0.887 120.655 119.914 -0.243 0.000 2.273 1118 V HA -0.248 3.872 4.120 -0.000 0.000 0.242 1118 V C 2.396 178.402 176.094 -0.146 0.000 1.035 1118 V CA 2.681 64.798 62.300 -0.304 0.000 1.013 1118 V CB -1.617 29.927 31.823 -0.465 0.000 0.652 1118 V HN 0.106 nan 8.190 nan 0.000 0.452 1119 T N 0.070 114.562 114.554 -0.103 0.000 2.918 1119 T HA -0.163 4.187 4.350 -0.000 0.000 0.271 1119 T C 1.748 176.464 174.700 0.027 0.000 1.104 1119 T CA 1.516 63.606 62.100 -0.016 0.000 1.114 1119 T CB -0.422 68.438 68.868 -0.013 0.000 0.855 1119 T HN 0.524 nan 8.240 nan 0.000 0.518 1120 A N 1.257 124.068 122.820 -0.015 0.000 1.924 1120 A HA 0.654 4.974 4.320 -0.000 0.000 0.211 1120 A C 2.718 180.227 177.584 -0.126 0.000 1.198 1120 A CA 0.905 52.952 52.037 0.017 0.000 0.657 1120 A CB -1.075 18.002 19.000 0.129 0.000 0.852 1120 A HN 0.546 nan 8.150 nan 0.000 0.454 1121 A N -1.019 121.561 122.820 -0.401 0.000 1.902 1121 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 1121 A C 2.113 179.545 177.584 -0.252 0.000 1.181 1121 A CA 1.760 53.390 52.037 -0.679 0.000 0.623 1121 A CB -0.887 17.707 19.000 -0.677 0.000 0.818 1121 A HN 0.729 nan 8.150 nan 0.000 0.443 1122 Y N 0.615 120.792 120.300 -0.204 0.000 2.097 1122 Y HA -0.220 4.330 4.550 -0.000 0.000 0.282 1122 Y C 2.301 178.156 175.900 -0.075 0.000 1.152 1122 Y CA 2.345 60.376 58.100 -0.115 0.000 1.136 1122 Y CB -0.278 38.132 38.460 -0.084 0.000 0.975 1122 Y HN 0.276 nan 8.280 nan 0.000 0.498 1123 M N -0.536 119.018 119.600 -0.075 0.000 2.476 1123 M HA -0.076 4.404 4.480 -0.000 0.000 0.262 1123 M C 1.159 177.377 176.300 -0.137 0.000 1.079 1123 M CA 1.618 56.827 55.300 -0.151 0.000 1.104 1123 M CB -0.394 32.211 32.600 0.008 0.000 1.409 1123 M HN 0.280 nan 8.290 nan 0.000 0.467 1124 D N 0.366 120.715 120.400 -0.085 0.000 2.305 1124 D HA -0.037 4.603 4.640 -0.000 0.000 0.206 1124 D C -0.164 176.095 176.300 -0.068 0.000 0.974 1124 D CA 0.922 54.914 54.000 -0.014 0.000 0.871 1124 D CB 0.517 41.417 40.800 0.166 0.000 0.947 1124 D HN 0.167 nan 8.370 nan 0.000 0.516 1125 T N -0.394 114.065 114.554 -0.157 0.000 4.381 1125 T HA -0.057 4.293 4.350 -0.000 0.000 0.345 1125 T C -0.971 173.681 174.700 -0.081 0.000 0.757 1125 T CA 0.306 62.313 62.100 -0.154 0.000 2.007 1125 T CB -1.495 67.302 68.868 -0.118 0.000 1.879 1125 T HN 0.015 nan 8.240 nan 0.000 0.973 1126 V N 0.151 120.011 119.914 -0.089 0.000 2.680 1126 V HA 0.783 4.903 4.120 -0.000 0.000 0.309 1126 V C 0.922 177.001 176.094 -0.025 0.000 1.052 1126 V CA -1.031 61.240 62.300 -0.049 0.000 0.908 1126 V CB 2.032 33.809 31.823 -0.077 0.000 1.001 1126 V HN 0.504 nan 8.190 nan 0.000 0.431 1127 S N 2.549 118.248 115.700 -0.002 0.000 2.544 1127 S HA 0.224 4.694 4.470 -0.000 0.000 0.290 1127 S C 0.454 175.062 174.600 0.014 0.000 1.276 1127 S CA -0.096 58.114 58.200 0.017 0.000 1.075 1127 S CB -0.188 63.027 63.200 0.024 0.000 0.849 1127 S HN 0.658 nan 8.310 nan 0.000 0.494 1128 L N 4.214 125.454 121.223 0.029 0.000 2.965 1128 L HA 0.306 4.646 4.340 -0.000 0.000 0.254 1128 L C 0.407 177.290 176.870 0.023 0.000 1.220 1128 L CA -0.139 54.708 54.840 0.012 0.000 1.023 1128 L CB 0.428 42.487 42.059 0.001 0.000 1.355 1128 L HN 0.568 nan 8.230 nan 0.000 0.545 1129 S N 0.412 116.137 115.700 0.042 0.000 2.547 1129 S HA 0.869 5.339 4.470 -0.000 0.000 0.281 1129 S C -1.011 173.592 174.600 0.006 0.000 1.118 1129 S CA -0.234 57.993 58.200 0.044 0.000 0.947 1129 S CB 1.980 65.305 63.200 0.208 0.000 1.053 1129 S HN 0.173 nan 8.310 nan 0.000 0.482 1130 A N 2.741 125.529 122.820 -0.052 0.000 2.594 1130 A HA 0.718 5.038 4.320 -0.000 0.000 0.296 1130 A C -0.006 177.555 177.584 -0.038 0.000 1.061 1130 A CA -0.610 51.414 52.037 -0.022 0.000 0.689 1130 A CB 0.824 19.826 19.000 0.004 0.000 1.280 1130 A HN 1.019 nan 8.150 nan 0.000 0.406 1131 T N -0.268 114.289 114.554 0.006 0.000 2.729 1131 T HA 0.774 5.124 4.350 -0.000 0.000 0.298 1131 T C 0.584 175.329 174.700 0.075 0.000 1.013 1131 T CA -0.120 62.004 62.100 0.040 0.000 0.957 1131 T CB 1.145 70.054 68.868 0.068 0.000 1.130 1131 T HN 2.318 nan 8.240 nan 0.000 0.526 1132 G N -0.480 108.397 108.800 0.127 0.000 2.318 1132 G HA2 0.439 4.399 3.960 -0.000 0.000 0.306 1132 G HA3 0.439 4.399 3.960 -0.000 0.000 0.306 1132 G C -1.725 173.325 174.900 0.250 0.000 1.696 1132 G CA -0.971 44.233 45.100 0.174 0.000 0.905 1132 G HN 0.754 nan 8.290 nan 0.000 0.700 1133 F N 1.711 121.725 119.950 0.107 0.000 2.675 1133 F HA 0.919 5.446 4.527 -0.000 0.000 0.324 1133 F C -1.296 174.642 175.800 0.230 0.000 1.106 1133 F CA -1.193 56.883 58.000 0.127 0.000 0.970 1133 F CB 2.414 41.461 39.000 0.079 0.000 1.385 1133 F HN 0.771 nan 8.300 nan 0.000 0.489 1134 Y N 2.807 123.230 120.300 0.206 0.000 2.522 1134 Y HA 0.386 4.936 4.550 0.000 0.000 0.326 1134 Y C -1.863 174.125 175.900 0.147 0.000 1.198 1134 Y CA -1.144 57.097 58.100 0.235 0.000 1.112 1134 Y CB 1.029 39.541 38.460 0.088 0.000 1.342 1134 Y HN 0.760 nan 8.280 nan 0.000 0.460 1135 R N 3.302 123.267 120.500 -0.893 0.000 2.686 1135 R HA 0.684 5.024 4.340 -0.000 0.000 0.286 1135 R C -1.594 174.120 176.300 -0.976 0.000 0.969 1135 R CA -0.768 54.975 56.100 -0.596 0.000 0.898 1135 R CB 2.050 32.249 30.300 -0.168 0.000 1.183 1135 R HN 0.677 nan 8.270 nan 0.000 0.456 1136 T N 5.511 119.740 114.554 -0.541 0.000 2.761 1136 T HA 0.293 4.643 4.350 -0.000 0.000 0.296 1136 T C -2.125 172.410 174.700 -0.276 0.000 0.934 1136 T CA -0.900 60.947 62.100 -0.421 0.000 1.091 1136 T CB 1.073 69.743 68.868 -0.331 0.000 0.896 1136 T HN 0.496 nan 8.240 nan 0.000 0.515 1137 P HA 0.368 nan 4.420 nan 0.000 0.284 1137 P C -0.149 177.151 177.300 0.000 0.000 1.258 1137 P CA -0.587 62.476 63.100 -0.062 0.000 0.824 1137 P CB 0.565 32.265 31.700 0.000 0.000 1.038 1138 N N -0.602 118.102 118.700 0.007 0.000 2.816 1138 N HA -0.127 4.613 4.740 -0.000 0.000 0.247 1138 N C -1.017 174.513 175.510 0.034 0.000 1.100 1138 N CA 0.550 53.620 53.050 0.033 0.000 0.687 1138 N CB -1.596 36.932 38.487 0.067 0.000 1.003 1138 N HN 0.364 nan 8.380 nan 0.000 0.554 1139 L N -0.045 121.179 121.223 0.001 0.000 2.330 1139 L HA 0.845 5.185 4.340 -0.000 0.000 0.271 1139 L C 0.748 177.605 176.870 -0.023 0.000 1.013 1139 L CA 0.294 55.123 54.840 -0.019 0.000 0.816 1139 L CB 1.987 44.014 42.059 -0.054 0.000 1.287 1139 L HN 0.260 nan 8.230 nan 0.000 0.435 1140 G N 1.777 110.561 108.800 -0.028 0.000 2.661 1140 G HA2 0.020 3.980 3.960 -0.000 0.000 0.262 1140 G HA3 0.020 3.980 3.960 -0.000 0.000 0.262 1140 G C -1.997 172.933 174.900 0.050 0.000 1.310 1140 G CA -0.816 44.278 45.100 -0.010 0.000 1.160 1140 G HN 0.523 nan 8.290 nan 0.000 0.598 1141 Y N 2.586 122.837 120.300 -0.081 0.000 2.387 1141 Y HA 0.802 5.352 4.550 0.000 0.000 0.336 1141 Y C 0.148 176.066 175.900 0.030 0.000 1.067 1141 Y CA -0.567 57.500 58.100 -0.055 0.000 1.114 1141 Y CB 2.292 40.672 38.460 -0.133 0.000 1.208 1141 Y HN 0.707 nan 8.280 nan 0.000 0.458 1142 S N 4.894 120.283 115.700 -0.518 0.000 2.472 1142 S HA 0.349 4.819 4.470 -0.000 0.000 0.303 1142 S C 0.019 174.304 174.600 -0.524 0.000 1.099 1142 S CA -0.576 57.424 58.200 -0.332 0.000 1.077 1142 S CB 0.396 63.485 63.200 -0.186 0.000 1.031 1142 S HN 0.758 nan 8.310 nan 0.000 0.487 1143 F N 2.102 121.874 119.950 -0.296 0.000 2.615 1143 F HA 0.198 4.725 4.527 -0.000 0.000 0.297 1143 F C 1.401 177.130 175.800 -0.119 0.000 1.124 1143 F CA 0.381 58.276 58.000 -0.175 0.000 1.451 1143 F CB 0.388 39.377 39.000 -0.018 0.000 1.103 1143 F HN 0.610 nan 8.300 nan 0.000 0.569 1144 E N -0.384 119.831 120.200 0.025 0.000 2.916 1144 E HA 0.281 4.631 4.350 -0.000 0.000 0.217 1144 E C 0.387 176.967 176.600 -0.033 0.000 1.100 1144 E CA 0.163 56.573 56.400 0.017 0.000 0.891 1144 E CB 0.655 30.376 29.700 0.035 0.000 1.311 1144 E HN 0.145 nan 8.360 nan 0.000 0.421 1145 T N 1.230 115.748 114.554 -0.060 0.000 5.252 1145 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 1145 T C 0.249 174.878 174.700 -0.118 0.000 2.214 1145 T CA 0.330 62.381 62.100 -0.083 0.000 3.765 1145 T CB -1.397 67.410 68.868 -0.101 0.000 0.185 1145 T HN 0.446 nan 8.240 nan 0.000 0.611 1146 N N 1.969 120.554 118.700 -0.191 0.000 2.702 1146 N HA -0.168 4.572 4.740 -0.000 0.000 0.261 1146 N C -0.307 175.125 175.510 -0.130 0.000 0.965 1146 N CA 1.443 54.372 53.050 -0.202 0.000 0.795 1146 N CB -1.022 37.463 38.487 -0.004 0.000 0.909 1146 N HN 1.053 nan 8.380 nan 0.000 0.546 1147 S N -1.371 114.161 115.700 -0.281 0.000 2.685 1147 S HA 0.864 5.334 4.470 -0.000 0.000 0.282 1147 S C 0.285 174.842 174.600 -0.071 0.000 1.159 1147 S CA 0.379 58.529 58.200 -0.083 0.000 0.833 1147 S CB 2.169 65.333 63.200 -0.060 0.000 1.151 1147 S HN 1.012 nan 8.310 nan 0.000 0.485 1148 G N 0.978 109.805 108.800 0.046 0.000 2.760 1148 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.246 1148 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.246 1148 G C -0.919 174.083 174.900 0.169 0.000 1.359 1148 G CA -0.417 44.725 45.100 0.070 0.000 0.861 1148 G HN 1.043 nan 8.290 nan 0.000 0.541 1149 N N 1.395 120.158 118.700 0.106 0.000 2.518 1149 N HA 0.532 5.272 4.740 -0.000 0.000 0.254 1149 N C -1.344 174.119 175.510 -0.078 0.000 0.979 1149 N CA -1.635 51.453 53.050 0.064 0.000 0.930 1149 N CB 2.361 40.886 38.487 0.063 0.000 1.152 1149 N HN 0.356 nan 8.380 nan 0.000 0.505 1150 P HA 0.061 nan 4.420 nan 0.000 0.224 1150 P C -0.328 176.447 177.300 -0.876 0.000 1.159 1150 P CA 0.723 63.393 63.100 -0.717 0.000 0.824 1150 P CB 0.538 31.402 31.700 -1.394 0.000 0.833 1151 F N -1.701 118.057 119.950 -0.321 0.000 2.544 1151 F HA 0.437 4.964 4.527 0.000 0.000 0.378 1151 F C 2.224 177.906 175.800 -0.198 0.000 1.112 1151 F CA -0.576 57.195 58.000 -0.382 0.000 1.115 1151 F CB 0.181 38.738 39.000 -0.739 0.000 1.436 1151 F HN -0.208 nan 8.300 nan 0.000 0.496 1152 H N -1.815 117.133 119.070 -0.203 0.000 3.067 1152 H HA 0.231 4.787 4.556 -0.000 0.000 0.241 1152 H C -1.291 174.001 175.328 -0.060 0.000 0.961 1152 H CA 0.042 56.008 56.048 -0.137 0.000 1.123 1152 H CB 0.612 30.275 29.762 -0.164 0.000 1.448 1152 H HN 0.446 nan 8.280 nan 0.000 0.457 1153 Y N -3.115 117.079 120.300 -0.176 0.000 2.818 1153 Y HA 0.487 5.037 4.550 -0.000 0.000 0.341 1153 Y C -1.978 173.693 175.900 -0.382 0.000 1.283 1153 Y CA -2.319 55.693 58.100 -0.146 0.000 1.075 1153 Y CB 0.488 38.906 38.460 -0.069 0.000 1.370 1153 Y HN -0.187 nan 8.280 nan 0.000 0.448 1154 F N 0.676 120.695 119.950 0.116 0.000 2.520 1154 F HA 0.646 5.173 4.527 -0.000 0.000 0.322 1154 F C 0.406 176.000 175.800 -0.345 0.000 1.103 1154 F CA -0.882 56.943 58.000 -0.291 0.000 0.926 1154 F CB 2.359 40.923 39.000 -0.725 0.000 1.154 1154 F HN 0.585 nan 8.300 nan 0.000 0.453 1155 S N 2.393 118.034 115.700 -0.099 0.000 2.580 1155 S HA 0.613 5.083 4.470 -0.000 0.000 0.274 1155 S C -1.300 173.148 174.600 -0.253 0.000 1.329 1155 S CA -0.057 58.091 58.200 -0.086 0.000 1.036 1155 S CB 0.218 63.426 63.200 0.013 0.000 0.919 1155 S HN 0.463 nan 8.310 nan 0.000 0.515 1156 Y N 0.775 121.114 120.300 0.065 0.000 2.571 1156 Y HA 0.677 5.227 4.550 -0.000 0.000 0.341 1156 Y C 0.605 176.509 175.900 0.007 0.000 1.076 1156 Y CA -0.549 57.557 58.100 0.009 0.000 1.029 1156 Y CB 2.329 40.726 38.460 -0.104 0.000 1.308 1156 Y HN 0.970 nan 8.280 nan 0.000 0.461 1157 G N 0.017 108.939 108.800 0.204 0.000 2.320 1157 G HA2 0.546 4.506 3.960 -0.000 0.000 0.296 1157 G HA3 0.546 4.506 3.960 -0.000 0.000 0.296 1157 G C -2.404 172.569 174.900 0.121 0.000 1.306 1157 G CA -0.669 44.505 45.100 0.124 0.000 0.836 1157 G HN 0.617 nan 8.290 nan 0.000 0.517 1158 V N -0.580 119.380 119.914 0.077 0.000 2.950 1158 V HA 0.767 4.887 4.120 -0.000 0.000 0.295 1158 V C -0.168 175.925 176.094 -0.003 0.000 1.297 1158 V CA 0.001 62.340 62.300 0.065 0.000 0.962 1158 V CB 1.472 33.345 31.823 0.084 0.000 1.081 1158 V HN 2.114 nan 8.190 nan 0.000 0.432 1159 A N 2.399 125.215 122.820 -0.007 0.000 2.479 1159 A HA 0.953 5.273 4.320 -0.000 0.000 0.296 1159 A C -1.054 176.520 177.584 -0.015 0.000 1.121 1159 A CA -0.506 51.518 52.037 -0.022 0.000 0.743 1159 A CB 2.123 21.136 19.000 0.022 0.000 1.323 1159 A HN 1.598 nan 8.150 nan 0.000 0.415 1160 C N 1.269 120.565 119.300 -0.006 0.000 2.833 1160 C HA 0.710 5.170 4.460 -0.000 0.000 0.383 1160 C C -0.769 174.249 174.990 0.047 0.000 1.058 1160 C CA -0.239 58.794 59.018 0.025 0.000 1.259 1160 C CB -0.152 27.584 27.740 -0.006 0.000 1.726 1160 C HN 0.889 nan 8.230 nan 0.000 0.484 1161 S N 3.820 119.569 115.700 0.082 0.000 2.513 1161 S HA 0.625 5.095 4.470 -0.000 0.000 0.299 1161 S C -1.021 173.611 174.600 0.053 0.000 1.087 1161 S CA -0.509 57.739 58.200 0.080 0.000 1.012 1161 S CB 1.965 65.244 63.200 0.132 0.000 1.044 1161 S HN 0.850 nan 8.310 nan 0.000 0.485 1162 E N 1.562 121.780 120.200 0.029 0.000 2.183 1162 E HA 0.646 4.996 4.350 -0.000 0.000 0.271 1162 E C -1.100 175.512 176.600 0.019 0.000 0.919 1162 E CA -0.797 55.604 56.400 0.001 0.000 0.781 1162 E CB 1.297 30.977 29.700 -0.033 0.000 1.140 1162 E HN 0.533 nan 8.360 nan 0.000 0.402 1163 V N 0.654 120.578 119.914 0.017 0.000 3.078 1163 V HA 0.648 4.768 4.120 -0.000 0.000 0.311 1163 V C -1.018 175.091 176.094 0.025 0.000 1.138 1163 V CA -0.866 61.467 62.300 0.055 0.000 1.007 1163 V CB 1.794 33.660 31.823 0.071 0.000 1.045 1163 V HN 0.816 nan 8.190 nan 0.000 0.432 1164 E N 3.665 123.896 120.200 0.052 0.000 2.224 1164 E HA 0.629 4.979 4.350 -0.000 0.000 0.265 1164 E C -0.981 175.693 176.600 0.123 0.000 0.878 1164 E CA -0.928 55.497 56.400 0.042 0.000 0.759 1164 E CB 2.144 31.813 29.700 -0.051 0.000 1.164 1164 E HN 0.987 nan 8.360 nan 0.000 0.414 1165 I N 0.606 121.258 120.570 0.137 0.000 2.676 1165 I HA 0.531 4.701 4.170 -0.000 0.000 0.309 1165 I C -0.464 175.756 176.117 0.171 0.000 0.990 1165 I CA -0.885 60.506 61.300 0.152 0.000 1.168 1165 I CB 1.633 39.698 38.000 0.107 0.000 1.343 1165 I HN 0.435 nan 8.210 nan 0.000 0.482 1166 D N 4.553 125.048 120.400 0.159 0.000 2.467 1166 D HA 0.282 4.922 4.640 -0.000 0.000 0.220 1166 D C 0.654 177.051 176.300 0.162 0.000 1.103 1166 D CA -0.734 53.366 54.000 0.168 0.000 0.886 1166 D CB 0.790 41.672 40.800 0.137 0.000 1.025 1166 D HN 0.699 nan 8.370 nan 0.000 0.514 1167 C N 2.980 122.401 119.300 0.201 0.000 2.539 1167 C HA 0.194 4.654 4.460 -0.000 0.000 0.271 1167 C C 2.313 177.422 174.990 0.197 0.000 1.412 1167 C CA -0.509 58.621 59.018 0.188 0.000 1.729 1167 C CB -1.557 26.305 27.740 0.202 0.000 1.739 1167 C HN 0.607 nan 8.230 nan 0.000 0.570 1168 L N 1.850 123.181 121.223 0.180 0.000 2.127 1168 L HA -0.023 4.317 4.340 -0.000 0.000 0.203 1168 L C 2.924 179.832 176.870 0.064 0.000 1.080 1168 L CA 2.027 56.928 54.840 0.101 0.000 0.768 1168 L CB -0.414 41.665 42.059 0.035 0.000 0.924 1168 L HN 0.580 nan 8.230 nan 0.000 0.444 1169 T N -5.286 109.319 114.554 0.085 0.000 3.000 1169 T HA 0.251 4.601 4.350 -0.000 0.000 0.248 1169 T C 1.362 176.168 174.700 0.177 0.000 1.034 1169 T CA 0.639 62.794 62.100 0.092 0.000 1.060 1169 T CB 1.011 69.942 68.868 0.105 0.000 0.983 1169 T HN 0.352 nan 8.240 nan 0.000 0.482 1170 G N 1.270 110.141 108.800 0.119 0.000 2.168 1170 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.197 1170 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.197 1170 G C -0.345 174.600 174.900 0.075 0.000 0.997 1170 G CA -0.020 45.113 45.100 0.054 0.000 0.658 1170 G HN 0.851 nan 8.290 nan 0.000 0.513 1171 D N 0.638 121.101 120.400 0.104 0.000 2.193 1171 D HA 0.601 5.241 4.640 -0.000 0.000 0.249 1171 D C 0.649 177.049 176.300 0.165 0.000 1.034 1171 D CA -0.500 53.560 54.000 0.099 0.000 0.902 1171 D CB 0.587 41.404 40.800 0.027 0.000 1.182 1171 D HN 0.395 nan 8.370 nan 0.000 0.436 1172 H N 0.481 119.553 119.070 0.002 0.000 2.855 1172 H HA 0.555 5.111 4.556 -0.000 0.000 0.363 1172 H C -0.938 174.392 175.328 0.003 0.000 1.185 1172 H CA -0.981 55.073 56.048 0.011 0.000 1.174 1172 H CB 0.757 30.528 29.762 0.015 0.000 1.857 1172 H HN 0.256 nan 8.280 nan 0.000 0.565 1173 K N 0.472 120.883 120.400 0.018 0.000 2.118 1173 K HA 0.244 4.564 4.320 -0.000 0.000 0.254 1173 K C -0.204 176.420 176.600 0.040 0.000 0.961 1173 K CA -0.901 55.360 56.287 -0.042 0.000 0.876 1173 K CB 0.982 33.486 32.500 0.007 0.000 1.077 1173 K HN 0.482 nan 8.250 nan 0.000 0.440 1174 N N 3.217 121.917 118.700 0.001 0.000 2.990 1174 N HA 0.136 4.876 4.740 -0.000 0.000 0.288 1174 N C 0.937 176.466 175.510 0.032 0.000 1.624 1174 N CA 0.035 53.117 53.050 0.054 0.000 0.961 1174 N CB 0.353 38.852 38.487 0.021 0.000 1.259 1174 N HN 0.502 nan 8.380 nan 0.000 0.489 1175 L N -0.119 121.121 121.223 0.028 0.000 1.978 1175 L HA -0.146 4.194 4.340 -0.000 0.000 0.218 1175 L C 1.204 178.082 176.870 0.013 0.000 1.075 1175 L CA 1.542 56.387 54.840 0.008 0.000 0.767 1175 L CB -0.095 41.951 42.059 -0.021 0.000 0.890 1175 L HN 0.353 nan 8.230 nan 0.000 0.434 1176 R N -1.618 118.890 120.500 0.014 0.000 2.764 1176 R HA 0.469 4.809 4.340 -0.000 0.000 0.270 1176 R C -1.647 174.665 176.300 0.020 0.000 1.014 1176 R CA -0.460 55.652 56.100 0.021 0.000 0.904 1176 R CB 2.271 32.582 30.300 0.018 0.000 1.236 1176 R HN -0.188 nan 8.270 nan 0.000 0.466 1177 T N 1.977 116.544 114.554 0.022 0.000 3.295 1177 T HA 0.298 4.648 4.350 -0.000 0.000 0.331 1177 T C -2.161 172.550 174.700 0.019 0.000 1.142 1177 T CA -0.752 61.348 62.100 0.001 0.000 1.078 1177 T CB 1.364 70.193 68.868 -0.066 0.000 1.150 1177 T HN 0.642 nan 8.240 nan 0.000 0.465 1178 D N 2.691 123.083 120.400 -0.013 0.000 2.593 1178 D HA 0.629 5.269 4.640 -0.000 0.000 0.251 1178 D C -0.298 175.963 176.300 -0.066 0.000 1.140 1178 D CA -0.433 53.555 54.000 -0.020 0.000 0.855 1178 D CB 1.342 42.135 40.800 -0.012 0.000 1.267 1178 D HN 0.376 nan 8.370 nan 0.000 0.532 1179 I N 0.908 121.430 120.570 -0.080 0.000 2.750 1179 I HA 0.644 4.814 4.170 -0.000 0.000 0.308 1179 I C -0.618 175.467 176.117 -0.053 0.000 1.016 1179 I CA -1.318 59.928 61.300 -0.089 0.000 1.098 1179 I CB 2.030 39.950 38.000 -0.133 0.000 1.279 1179 I HN 0.051 nan 8.210 nan 0.000 0.454 1180 V N 4.660 124.553 119.914 -0.035 0.000 2.612 1180 V HA 0.432 4.552 4.120 -0.000 0.000 0.301 1180 V C -0.772 175.325 176.094 0.005 0.000 1.059 1180 V CA -0.405 61.886 62.300 -0.015 0.000 0.886 1180 V CB 1.844 33.659 31.823 -0.012 0.000 1.007 1180 V HN 0.654 nan 8.190 nan 0.000 0.426 1181 M N 3.792 123.397 119.600 0.008 0.000 2.204 1181 M HA 0.512 4.992 4.480 -0.000 0.000 0.293 1181 M C -0.920 175.398 176.300 0.030 0.000 0.994 1181 M CA -0.513 54.800 55.300 0.022 0.000 0.925 1181 M CB 1.562 34.164 32.600 0.003 0.000 1.577 1181 M HN 0.740 nan 8.290 nan 0.000 0.439 1182 D N 3.585 124.019 120.400 0.056 0.000 2.359 1182 D HA 0.234 4.874 4.640 -0.000 0.000 0.250 1182 D C 0.675 177.003 176.300 0.047 0.000 1.264 1182 D CA -0.075 53.962 54.000 0.061 0.000 0.911 1182 D CB 0.676 41.536 40.800 0.099 0.000 1.056 1182 D HN 0.455 nan 8.370 nan 0.000 0.499 1183 V N 1.772 121.698 119.914 0.020 0.000 3.578 1183 V HA 0.522 4.642 4.120 -0.000 0.000 0.290 1183 V C 1.245 177.330 176.094 -0.014 0.000 1.376 1183 V CA 0.421 62.722 62.300 0.002 0.000 1.083 1183 V CB -0.647 31.170 31.823 -0.010 0.000 0.911 1183 V HN 0.727 nan 8.190 nan 0.000 0.433 1184 G N 1.252 110.046 108.800 -0.011 0.000 2.562 1184 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.250 1184 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.250 1184 G C -0.037 174.857 174.900 -0.010 0.000 1.269 1184 G CA -0.079 45.004 45.100 -0.028 0.000 0.919 1184 G HN 0.967 nan 8.290 nan 0.000 0.574 1185 S N 0.659 116.353 115.700 -0.010 0.000 3.036 1185 S HA 0.509 4.979 4.470 -0.000 0.000 0.301 1185 S C 0.671 175.279 174.600 0.013 0.000 1.205 1185 S CA 0.701 58.907 58.200 0.010 0.000 0.999 1185 S CB 0.838 64.048 63.200 0.017 0.000 1.337 1185 S HN 1.432 nan 8.310 nan 0.000 0.515 1186 S N 3.159 118.869 115.700 0.017 0.000 2.573 1186 S HA 0.056 4.526 4.470 -0.000 0.000 0.297 1186 S C 1.372 175.971 174.600 -0.002 0.000 1.280 1186 S CA -0.496 57.706 58.200 0.003 0.000 1.061 1186 S CB 0.073 63.274 63.200 0.001 0.000 0.812 1186 S HN 0.681 nan 8.310 nan 0.000 0.500 1187 L N 3.085 124.300 121.223 -0.014 0.000 2.265 1187 L HA -0.003 4.337 4.340 -0.000 0.000 0.215 1187 L C 1.024 177.871 176.870 -0.039 0.000 1.117 1187 L CA 0.910 55.733 54.840 -0.027 0.000 0.782 1187 L CB -0.483 41.559 42.059 -0.029 0.000 0.914 1187 L HN 0.738 nan 8.230 nan 0.000 0.441 1188 N N -1.567 117.108 118.700 -0.042 0.000 3.547 1188 N HA 0.061 4.801 4.740 -0.000 0.000 0.203 1188 N C -2.402 173.039 175.510 -0.115 0.000 1.410 1188 N CA -0.628 52.384 53.050 -0.063 0.000 0.811 1188 N CB 0.993 39.437 38.487 -0.072 0.000 1.665 1188 N HN -0.280 nan 8.380 nan 0.000 0.686 1189 P HA 0.048 nan 4.420 nan 0.000 0.223 1189 P C 1.029 178.068 177.300 -0.435 0.000 1.151 1189 P CA 0.845 63.782 63.100 -0.272 0.000 0.787 1189 P CB 0.425 31.906 31.700 -0.364 0.000 0.788 1190 A N -0.368 122.197 122.820 -0.424 0.000 1.854 1190 A HA -0.099 4.221 4.320 -0.000 0.000 0.214 1190 A C 2.172 179.495 177.584 -0.436 0.000 1.192 1190 A CA 1.138 52.825 52.037 -0.583 0.000 0.611 1190 A CB -1.412 17.102 19.000 -0.810 0.000 0.832 1190 A HN 0.076 nan 8.150 nan 0.000 0.442 1191 I N 0.123 120.525 120.570 -0.279 0.000 2.252 1191 I HA -0.128 4.042 4.170 -0.000 0.000 0.245 1191 I C 0.156 176.188 176.117 -0.141 0.000 1.102 1191 I CA 0.502 61.700 61.300 -0.170 0.000 1.385 1191 I CB -0.435 37.496 38.000 -0.114 0.000 1.064 1191 I HN 0.250 nan 8.210 nan 0.000 0.414 1192 D N 0.598 120.913 120.400 -0.142 0.000 2.357 1192 D HA 0.252 4.892 4.640 -0.000 0.000 0.242 1192 D C 1.179 177.386 176.300 -0.154 0.000 1.153 1192 D CA 0.177 54.105 54.000 -0.119 0.000 0.918 1192 D CB 2.070 42.811 40.800 -0.098 0.000 1.181 1192 D HN 0.132 nan 8.370 nan 0.000 0.435 1193 I N -0.495 119.997 120.570 -0.130 0.000 4.806 1193 I HA -0.365 3.805 4.170 -0.000 0.000 0.040 1193 I C 2.027 178.052 176.117 -0.154 0.000 0.633 1193 I CA 1.337 62.538 61.300 -0.165 0.000 0.565 1193 I CB -1.532 36.325 38.000 -0.238 0.000 0.553 1193 I HN 0.556 nan 8.210 nan 0.000 0.152 1194 G N 0.368 109.070 108.800 -0.163 0.000 2.574 1194 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.220 1194 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.220 1194 G C 1.141 175.995 174.900 -0.076 0.000 1.173 1194 G CA 2.057 47.087 45.100 -0.117 0.000 0.772 1194 G HN 0.546 nan 8.290 nan 0.000 0.585 1195 Q N -0.290 119.466 119.800 -0.074 0.000 2.123 1195 Q HA 0.055 4.395 4.340 -0.000 0.000 0.199 1195 Q C 2.816 178.803 176.000 -0.022 0.000 0.966 1195 Q CA 0.896 56.673 55.803 -0.044 0.000 0.845 1195 Q CB -0.421 28.283 28.738 -0.056 0.000 0.907 1195 Q HN 0.314 nan 8.270 nan 0.000 0.439 1196 V N 0.659 120.550 119.914 -0.039 0.000 2.214 1196 V HA -0.330 3.790 4.120 -0.000 0.000 0.247 1196 V C 2.019 178.152 176.094 0.066 0.000 1.051 1196 V CA 2.381 64.677 62.300 -0.006 0.000 1.003 1196 V CB -0.591 31.201 31.823 -0.052 0.000 0.635 1196 V HN 0.448 nan 8.190 nan 0.000 0.447 1197 E N -0.135 120.073 120.200 0.014 0.000 2.130 1197 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 1197 E C 2.210 178.936 176.600 0.211 0.000 0.998 1197 E CA 1.350 57.826 56.400 0.127 0.000 0.806 1197 E CB -0.552 29.076 29.700 -0.120 0.000 0.738 1197 E HN 0.673 nan 8.360 nan 0.000 0.459 1198 G N 0.593 109.447 108.800 0.090 0.000 2.402 1198 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 1198 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 1198 G C 1.623 176.581 174.900 0.096 0.000 1.162 1198 G CA 0.802 45.945 45.100 0.072 0.000 0.777 1198 G HN 0.370 nan 8.290 nan 0.000 0.539 1199 A N 0.522 123.406 122.820 0.107 0.000 1.858 1199 A HA 0.062 4.382 4.320 -0.000 0.000 0.216 1199 A C 2.171 179.808 177.584 0.088 0.000 1.190 1199 A CA 1.561 53.654 52.037 0.092 0.000 0.617 1199 A CB -0.698 18.345 19.000 0.072 0.000 0.827 1199 A HN 0.347 nan 8.150 nan 0.000 0.443 1200 F N 0.646 120.625 119.950 0.047 0.000 2.115 1200 F HA -0.220 4.306 4.527 -0.000 0.000 0.300 1200 F C 2.273 178.086 175.800 0.021 0.000 1.092 1200 F CA 2.094 60.127 58.000 0.056 0.000 1.245 1200 F CB -0.264 38.830 39.000 0.156 0.000 0.995 1200 F HN 0.040 nan 8.300 nan 0.000 0.481 1201 V N -0.284 119.676 119.914 0.075 0.000 2.548 1201 V HA -0.265 3.855 4.120 -0.000 0.000 0.249 1201 V C 2.241 178.243 176.094 -0.152 0.000 1.055 1201 V CA 1.883 64.147 62.300 -0.060 0.000 1.065 1201 V CB -0.521 31.330 31.823 0.047 0.000 0.681 1201 V HN 0.371 nan 8.190 nan 0.000 0.462 1202 Q N -0.178 119.556 119.800 -0.110 0.000 2.170 1202 Q HA -0.151 4.189 4.340 -0.000 0.000 0.203 1202 Q C 2.297 178.130 176.000 -0.279 0.000 0.976 1202 Q CA 1.556 57.269 55.803 -0.149 0.000 0.858 1202 Q CB -0.458 28.236 28.738 -0.073 0.000 0.907 1202 Q HN 0.743 nan 8.270 nan 0.000 0.433 1203 G N 1.346 109.933 108.800 -0.355 0.000 2.511 1203 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.216 1203 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.216 1203 G C 1.285 175.825 174.900 -0.601 0.000 1.218 1203 G CA 0.603 45.352 45.100 -0.584 0.000 0.788 1203 G HN 0.260 nan 8.290 nan 0.000 0.560 1204 L N 1.543 122.470 121.223 -0.494 0.000 2.143 1204 L HA -0.255 4.085 4.340 -0.000 0.000 0.231 1204 L C 2.761 179.498 176.870 -0.221 0.000 1.106 1204 L CA 2.894 57.545 54.840 -0.315 0.000 0.827 1204 L CB -1.385 40.507 42.059 -0.278 0.000 0.915 1204 L HN 0.326 nan 8.230 nan 0.000 0.448 1205 G N -1.123 107.532 108.800 -0.242 0.000 2.434 1205 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.214 1205 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.214 1205 G C 1.544 176.292 174.900 -0.253 0.000 1.202 1205 G CA 0.728 45.706 45.100 -0.204 0.000 0.788 1205 G HN 0.425 nan 8.290 nan 0.000 0.539 1206 L N 0.020 121.003 121.223 -0.399 0.000 2.129 1206 L HA 0.073 4.413 4.340 -0.000 0.000 0.212 1206 L C 2.088 178.788 176.870 -0.284 0.000 1.087 1206 L CA 1.492 56.059 54.840 -0.455 0.000 0.757 1206 L CB -0.573 41.069 42.059 -0.694 0.000 0.896 1206 L HN 0.348 nan 8.230 nan 0.000 0.434 1207 F N -1.954 117.862 119.950 -0.223 0.000 2.721 1207 F HA 0.117 4.644 4.527 -0.000 0.000 0.301 1207 F C 1.540 177.222 175.800 -0.198 0.000 1.096 1207 F CA 0.342 58.160 58.000 -0.304 0.000 1.308 1207 F CB 0.047 38.825 39.000 -0.370 0.000 1.086 1207 F HN 0.246 nan 8.300 nan 0.000 0.587 1208 T N -4.150 110.422 114.554 0.030 0.000 3.131 1208 T HA 0.203 4.553 4.350 -0.000 0.000 0.283 1208 T C 0.592 175.312 174.700 0.034 0.000 0.906 1208 T CA 0.054 62.190 62.100 0.060 0.000 0.882 1208 T CB 0.365 69.308 68.868 0.124 0.000 1.208 1208 T HN 0.097 nan 8.240 nan 0.000 0.561 1209 L N 0.333 121.535 121.223 -0.035 0.000 3.337 1209 L HA 0.540 4.880 4.340 -0.000 0.000 0.313 1209 L C -0.561 176.216 176.870 -0.156 0.000 1.071 1209 L CA 0.390 55.190 54.840 -0.067 0.000 1.192 1209 L CB 0.889 42.905 42.059 -0.071 0.000 1.895 1209 L HN 0.209 nan 8.230 nan 0.000 0.596 1210 E N 1.231 121.306 120.200 -0.209 0.000 2.134 1210 E HA 0.392 4.742 4.350 -0.000 0.000 0.278 1210 E C -0.761 175.711 176.600 -0.213 0.000 0.959 1210 E CA -0.131 56.037 56.400 -0.386 0.000 0.783 1210 E CB 1.701 31.180 29.700 -0.368 0.000 1.095 1210 E HN 0.059 nan 8.360 nan 0.000 0.399 1211 E N 2.893 122.981 120.200 -0.186 0.000 2.246 1211 E HA 0.263 4.613 4.350 -0.000 0.000 0.266 1211 E C -1.469 175.304 176.600 0.287 0.000 0.880 1211 E CA -0.802 55.654 56.400 0.093 0.000 0.762 1211 E CB 1.006 30.827 29.700 0.201 0.000 1.180 1211 E HN 0.164 nan 8.360 nan 0.000 0.416 1212 L N 3.955 125.383 121.223 0.341 0.000 2.292 1212 L HA 0.370 4.710 4.340 -0.000 0.000 0.284 1212 L C -0.766 176.351 176.870 0.412 0.000 1.065 1212 L CA -0.299 54.776 54.840 0.392 0.000 0.806 1212 L CB 0.739 43.049 42.059 0.418 0.000 1.175 1212 L HN 0.606 nan 8.230 nan 0.000 0.431 1213 H N 3.024 122.186 119.070 0.153 0.000 2.489 1213 H HA 0.559 5.115 4.556 -0.000 0.000 0.343 1213 H C -1.137 174.197 175.328 0.010 0.000 1.086 1213 H CA -0.356 55.837 56.048 0.243 0.000 1.198 1213 H CB 1.088 31.054 29.762 0.340 0.000 1.490 1213 H HN 0.303 nan 8.280 nan 0.000 0.504 1214 Y N 0.236 120.621 120.300 0.141 0.000 2.377 1214 Y HA 0.285 4.835 4.550 -0.000 0.000 0.339 1214 Y C 0.659 176.452 175.900 -0.178 0.000 1.011 1214 Y CA -1.311 56.764 58.100 -0.042 0.000 1.093 1214 Y CB 1.314 39.754 38.460 -0.033 0.000 1.201 1214 Y HN 0.649 nan 8.280 nan 0.000 0.455 1215 S N 3.244 118.717 115.700 -0.379 0.000 2.559 1215 S HA 0.023 4.493 4.470 -0.000 0.000 0.282 1215 S C -1.742 172.780 174.600 -0.130 0.000 1.336 1215 S CA -0.821 57.139 58.200 -0.400 0.000 1.037 1215 S CB 0.794 63.667 63.200 -0.545 0.000 0.853 1215 S HN 0.527 nan 8.310 nan 0.000 0.523 1216 P HA -0.133 nan 4.420 nan 0.000 0.218 1216 P C 1.160 178.441 177.300 -0.031 0.000 1.148 1216 P CA 1.377 64.461 63.100 -0.027 0.000 0.822 1216 P CB -0.155 31.540 31.700 -0.008 0.000 0.784 1217 E N -0.417 119.753 120.200 -0.051 0.000 2.465 1217 E HA 0.108 4.458 4.350 -0.000 0.000 0.191 1217 E C 0.971 177.548 176.600 -0.039 0.000 1.053 1217 E CA 0.613 56.988 56.400 -0.042 0.000 0.869 1217 E CB -0.946 28.729 29.700 -0.042 0.000 0.977 1217 E HN 0.239 nan 8.360 nan 0.000 0.483 1218 G N 0.930 109.708 108.800 -0.036 0.000 2.141 1218 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.195 1218 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.195 1218 G C -0.060 174.872 174.900 0.054 0.000 1.012 1218 G CA 0.274 45.385 45.100 0.018 0.000 0.696 1218 G HN 0.390 nan 8.290 nan 0.000 0.508 1219 S N -0.087 115.589 115.700 -0.039 0.000 2.465 1219 S HA 0.581 5.051 4.470 -0.000 0.000 0.279 1219 S C 0.672 175.193 174.600 -0.132 0.000 1.201 1219 S CA -0.428 57.733 58.200 -0.064 0.000 1.053 1219 S CB 0.699 63.820 63.200 -0.131 0.000 0.953 1219 S HN 1.482 nan 8.310 nan 0.000 0.488 1220 L N 6.260 127.429 121.223 -0.090 0.000 2.559 1220 L HA 0.171 4.511 4.340 -0.000 0.000 0.274 1220 L C 0.973 177.708 176.870 -0.224 0.000 1.205 1220 L CA 0.757 55.343 54.840 -0.423 0.000 0.907 1220 L CB 0.353 42.176 42.059 -0.394 0.000 1.153 1220 L HN 0.801 nan 8.230 nan 0.000 0.490 1221 H N 2.070 120.987 119.070 -0.256 0.000 2.520 1221 H HA 0.122 4.678 4.556 -0.000 0.000 0.279 1221 H C 0.190 175.508 175.328 -0.016 0.000 0.990 1221 H CA 0.976 56.953 56.048 -0.118 0.000 1.288 1221 H CB 0.392 30.069 29.762 -0.141 0.000 1.446 1221 H HN 0.696 nan 8.280 nan 0.000 0.538 1222 T N 0.684 115.302 114.554 0.106 0.000 2.821 1222 T HA 0.433 4.782 4.350 -0.000 0.000 0.307 1222 T C 0.174 174.952 174.700 0.129 0.000 1.034 1222 T CA -0.668 61.519 62.100 0.144 0.000 0.953 1222 T CB 0.233 69.219 68.868 0.197 0.000 0.968 1222 T HN 0.280 nan 8.240 nan 0.000 0.462 1223 R N 3.218 123.813 120.500 0.159 0.000 2.637 1223 R HA 0.510 4.850 4.340 -0.000 0.000 0.446 1223 R C 0.442 176.865 176.300 0.206 0.000 1.024 1223 R CA -0.795 55.397 56.100 0.153 0.000 1.080 1223 R CB 1.212 31.597 30.300 0.140 0.000 1.421 1223 R HN 0.729 nan 8.270 nan 0.000 0.593 1224 G N 0.355 109.305 108.800 0.251 0.000 2.368 1224 G HA2 0.134 4.094 3.960 -0.000 0.000 0.293 1224 G HA3 0.134 4.094 3.960 -0.000 0.000 0.293 1224 G C -2.542 172.575 174.900 0.361 0.000 1.467 1224 G CA -0.976 44.312 45.100 0.313 0.000 0.804 1224 G HN -0.255 nan 8.290 nan 0.000 0.535 1225 P HA -0.224 nan 4.420 nan 0.000 0.220 1225 P C 1.819 179.215 177.300 0.159 0.000 1.142 1225 P CA 2.210 65.477 63.100 0.278 0.000 0.801 1225 P CB 0.174 32.033 31.700 0.265 0.000 0.764 1226 S N -0.617 115.175 115.700 0.153 0.000 2.388 1226 S HA -0.075 4.395 4.470 -0.000 0.000 0.223 1226 S C 1.905 176.554 174.600 0.081 0.000 1.034 1226 S CA 1.764 60.016 58.200 0.086 0.000 0.963 1226 S CB -1.353 61.878 63.200 0.052 0.000 0.827 1226 S HN 0.310 nan 8.310 nan 0.000 0.481 1227 T N -2.628 112.001 114.554 0.125 0.000 3.039 1227 T HA 0.222 4.572 4.350 -0.000 0.000 0.250 1227 T C 0.466 175.261 174.700 0.159 0.000 1.052 1227 T CA -0.060 62.109 62.100 0.115 0.000 1.125 1227 T CB -0.605 68.330 68.868 0.112 0.000 0.908 1227 T HN 0.406 nan 8.240 nan 0.000 0.473 1228 Y N 3.090 123.452 120.300 0.103 0.000 2.477 1228 Y HA 0.401 4.951 4.550 -0.000 0.000 0.349 1228 Y C -0.315 175.601 175.900 0.027 0.000 0.977 1228 Y CA -1.108 57.052 58.100 0.100 0.000 1.214 1228 Y CB 0.496 39.061 38.460 0.174 0.000 1.124 1228 Y HN -0.167 nan 8.280 nan 0.000 0.521 1229 K N 9.304 129.577 120.400 -0.211 0.000 2.231 1229 K HA 0.198 4.518 4.320 -0.000 0.000 0.255 1229 K C 0.107 176.566 176.600 -0.235 0.000 1.108 1229 K CA -0.244 55.950 56.287 -0.155 0.000 0.997 1229 K CB 0.210 32.648 32.500 -0.103 0.000 1.549 1229 K HN 0.772 nan 8.250 nan 0.000 0.419 1230 I N 0.066 120.518 120.570 -0.196 0.000 3.079 1230 I HA 0.387 4.557 4.170 -0.000 0.000 0.295 1230 I C -2.170 173.901 176.117 -0.076 0.000 1.094 1230 I CA -1.985 59.220 61.300 -0.158 0.000 1.295 1230 I CB 0.688 38.584 38.000 -0.174 0.000 1.443 1230 I HN 0.143 nan 8.210 nan 0.000 0.607 1231 P HA 0.340 nan 4.420 nan 0.000 0.284 1231 P C -0.932 176.473 177.300 0.175 0.000 1.253 1231 P CA -0.244 62.882 63.100 0.043 0.000 0.800 1231 P CB 1.563 33.281 31.700 0.029 0.000 0.961 1232 A N 2.152 125.032 122.820 0.100 0.000 2.373 1232 A HA 0.544 4.864 4.320 -0.000 0.000 0.291 1232 A C 0.818 178.207 177.584 -0.326 0.000 1.171 1232 A CA -0.626 51.406 52.037 -0.010 0.000 0.922 1232 A CB -0.198 18.825 19.000 0.038 0.000 1.400 1232 A HN 0.388 nan 8.150 nan 0.000 0.474 1233 F N 0.361 119.770 119.950 -0.901 0.000 2.102 1233 F HA -0.030 4.497 4.527 -0.000 0.000 0.298 1233 F C 2.648 178.281 175.800 -0.279 0.000 1.105 1233 F CA 2.307 59.743 58.000 -0.938 0.000 1.239 1233 F CB -0.454 38.241 39.000 -0.509 0.000 0.991 1233 F HN 0.657 nan 8.300 nan 0.000 0.474 1234 G N -1.481 107.372 108.800 0.089 0.000 2.568 1234 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.220 1234 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.220 1234 G C 1.643 176.578 174.900 0.059 0.000 1.104 1234 G CA 1.426 46.586 45.100 0.100 0.000 0.738 1234 G HN 0.385 nan 8.290 nan 0.000 0.574 1235 S N -0.278 115.442 115.700 0.033 0.000 2.497 1235 S HA 0.203 4.673 4.470 -0.000 0.000 0.218 1235 S C 0.916 175.525 174.600 0.015 0.000 1.023 1235 S CA -0.318 57.887 58.200 0.007 0.000 0.913 1235 S CB 0.118 63.322 63.200 0.006 0.000 0.800 1235 S HN 0.473 nan 8.310 nan 0.000 0.505 1236 I N 1.867 122.478 120.570 0.068 0.000 2.892 1236 I HA 0.235 4.405 4.170 -0.000 0.000 0.287 1236 I C -2.393 173.714 176.117 -0.016 0.000 1.205 1236 I CA -2.383 58.935 61.300 0.030 0.000 1.409 1236 I CB -0.871 37.201 38.000 0.120 0.000 1.367 1236 I HN -0.102 nan 8.210 nan 0.000 0.597 1237 P HA -0.051 nan 4.420 nan 0.000 0.261 1237 P C 0.893 178.201 177.300 0.015 0.000 1.165 1237 P CA 0.156 63.203 63.100 -0.090 0.000 0.759 1237 P CB 0.432 31.988 31.700 -0.240 0.000 0.772 1238 I N 2.133 122.727 120.570 0.042 0.000 2.163 1238 I HA -0.175 3.995 4.170 -0.000 0.000 0.243 1238 I C 1.316 177.493 176.117 0.100 0.000 1.085 1238 I CA 1.813 63.157 61.300 0.075 0.000 1.347 1238 I CB -1.125 36.910 38.000 0.057 0.000 1.044 1238 I HN 0.479 nan 8.210 nan 0.000 0.408 1239 E N 0.758 121.012 120.200 0.089 0.000 2.199 1239 E HA 0.411 4.761 4.350 -0.000 0.000 0.269 1239 E C -1.153 175.551 176.600 0.172 0.000 0.899 1239 E CA -0.537 55.938 56.400 0.125 0.000 0.772 1239 E CB 2.244 32.000 29.700 0.094 0.000 1.155 1239 E HN 0.153 nan 8.360 nan 0.000 0.408 1240 F N 2.868 122.838 119.950 0.033 0.000 2.532 1240 F HA 0.379 4.906 4.527 -0.000 0.000 0.365 1240 F C -0.546 175.247 175.800 -0.012 0.000 1.112 1240 F CA -1.098 56.909 58.000 0.012 0.000 1.082 1240 F CB 1.142 40.167 39.000 0.042 0.000 1.319 1240 F HN 0.388 nan 8.300 nan 0.000 0.457 1241 R N 5.546 126.177 120.500 0.218 0.000 2.272 1241 R HA 0.486 4.826 4.340 -0.000 0.000 0.323 1241 R C -1.457 174.830 176.300 -0.022 0.000 1.002 1241 R CA -0.404 55.727 56.100 0.053 0.000 0.900 1241 R CB 1.401 31.729 30.300 0.048 0.000 1.151 1241 R HN 0.432 nan 8.270 nan 0.000 0.507 1242 V N 3.068 122.915 119.914 -0.112 0.000 2.539 1242 V HA 0.456 4.576 4.120 -0.000 0.000 0.292 1242 V C -0.390 175.666 176.094 -0.065 0.000 1.045 1242 V CA -0.341 61.886 62.300 -0.122 0.000 0.945 1242 V CB 1.856 33.551 31.823 -0.213 0.000 0.993 1242 V HN 0.885 nan 8.190 nan 0.000 0.464 1243 S N 5.007 120.682 115.700 -0.041 0.000 2.572 1243 S HA 0.665 5.135 4.470 -0.000 0.000 0.274 1243 S C -1.011 173.592 174.600 0.005 0.000 1.150 1243 S CA -0.744 57.455 58.200 -0.002 0.000 0.944 1243 S CB 1.316 64.522 63.200 0.009 0.000 1.071 1243 S HN 0.452 nan 8.310 nan 0.000 0.479 1244 L N 2.562 123.805 121.223 0.034 0.000 2.334 1244 L HA 0.485 4.825 4.340 -0.000 0.000 0.277 1244 L C -0.489 176.406 176.870 0.041 0.000 1.075 1244 L CA -1.057 53.803 54.840 0.034 0.000 0.804 1244 L CB 1.250 43.346 42.059 0.062 0.000 1.174 1244 L HN 0.603 nan 8.230 nan 0.000 0.438 1245 L N 4.395 125.635 121.223 0.028 0.000 2.319 1245 L HA 0.290 4.630 4.340 -0.000 0.000 0.280 1245 L C 0.170 177.052 176.870 0.021 0.000 1.099 1245 L CA 0.152 55.005 54.840 0.021 0.000 0.828 1245 L CB 0.526 42.595 42.059 0.018 0.000 1.150 1245 L HN 0.493 nan 8.230 nan 0.000 0.442 1246 R N 3.636 124.144 120.500 0.015 0.000 2.500 1246 R HA 0.321 4.661 4.340 -0.000 0.000 0.275 1246 R C -0.669 175.633 176.300 0.002 0.000 1.051 1246 R CA -0.835 55.269 56.100 0.007 0.000 1.088 1246 R CB 0.216 30.514 30.300 -0.002 0.000 1.063 1246 R HN 0.631 nan 8.270 nan 0.000 0.511 1247 D N 0.842 121.241 120.400 -0.001 0.000 3.091 1247 D HA -0.159 4.481 4.640 -0.000 0.000 0.215 1247 D C -0.279 176.021 176.300 0.000 0.000 1.214 1247 D CA 1.143 55.142 54.000 -0.001 0.000 0.870 1247 D CB -0.594 40.204 40.800 -0.003 0.000 0.874 1247 D HN 0.871 nan 8.370 nan 0.000 0.393 1248 C N -0.176 119.124 119.300 0.000 0.000 2.945 1248 C HA 0.329 4.789 4.460 -0.000 0.000 0.216 1248 C C -2.686 172.299 174.990 -0.009 0.000 1.319 1248 C CA -1.620 57.396 59.018 -0.002 0.000 1.036 1248 C CB -0.108 27.632 27.740 -0.001 0.000 1.871 1248 C HN 0.100 nan 8.230 nan 0.000 0.660 1249 P HA 0.207 nan 4.420 nan 0.000 0.268 1249 P C -0.332 176.946 177.300 -0.037 0.000 1.205 1249 P CA 0.678 63.767 63.100 -0.018 0.000 0.771 1249 P CB 0.591 32.287 31.700 -0.007 0.000 0.858 1250 N N 1.939 120.596 118.700 -0.071 0.000 2.425 1250 N HA 0.121 4.861 4.740 -0.000 0.000 0.268 1250 N C 0.546 175.989 175.510 -0.112 0.000 0.991 1250 N CA -0.568 52.408 53.050 -0.123 0.000 0.931 1250 N CB 0.859 39.201 38.487 -0.241 0.000 1.130 1250 N HN 0.246 nan 8.380 nan 0.000 0.493 1251 K N 2.186 122.538 120.400 -0.079 0.000 2.361 1251 K HA 0.199 4.519 4.320 -0.000 0.000 0.194 1251 K C 0.577 177.156 176.600 -0.036 0.000 1.032 1251 K CA 0.335 56.593 56.287 -0.048 0.000 1.048 1251 K CB 0.414 32.900 32.500 -0.024 0.000 0.842 1251 K HN 0.317 nan 8.250 nan 0.000 0.526 1252 K N 0.986 121.360 120.400 -0.044 0.000 2.487 1252 K HA 0.175 4.495 4.320 -0.000 0.000 0.192 1252 K C 0.016 176.703 176.600 0.145 0.000 1.027 1252 K CA 0.198 56.500 56.287 0.025 0.000 1.054 1252 K CB 0.523 32.968 32.500 -0.092 0.000 0.824 1252 K HN 0.227 nan 8.250 nan 0.000 0.510 1253 A N 1.227 124.067 122.820 0.033 0.000 2.449 1253 A HA 0.385 4.705 4.320 -0.000 0.000 0.302 1253 A C -0.469 177.085 177.584 -0.049 0.000 1.048 1253 A CA -0.902 51.169 52.037 0.057 0.000 0.708 1253 A CB 0.886 19.903 19.000 0.028 0.000 1.274 1253 A HN 0.241 nan 8.150 nan 0.000 0.410 1254 I N 1.591 122.107 120.570 -0.091 0.000 3.325 1254 I HA -0.238 3.932 4.170 -0.000 0.000 0.354 1254 I C 0.248 176.358 176.117 -0.010 0.000 1.171 1254 I CA 1.375 62.599 61.300 -0.127 0.000 1.515 1254 I CB -0.104 37.847 38.000 -0.081 0.000 1.267 1254 I HN 0.750 nan 8.210 nan 0.000 0.496 1255 Y N 5.559 125.815 120.300 -0.073 0.000 3.000 1255 Y HA -0.269 4.281 4.550 -0.000 0.000 0.221 1255 Y C 1.330 177.205 175.900 -0.042 0.000 1.108 1255 Y CA 0.970 59.046 58.100 -0.039 0.000 1.151 1255 Y CB -1.519 36.934 38.460 -0.010 0.000 1.193 1255 Y HN 0.908 nan 8.280 nan 0.000 0.596 1256 A N -1.059 121.774 122.820 0.022 0.000 3.061 1256 A HA -0.145 4.175 4.320 -0.000 0.000 0.244 1256 A C 0.772 178.335 177.584 -0.035 0.000 1.357 1256 A CA 0.680 52.710 52.037 -0.013 0.000 0.889 1256 A CB -1.880 17.129 19.000 0.015 0.000 1.092 1256 A HN 1.183 nan 8.150 nan 0.000 0.694 1257 S N -0.987 114.689 115.700 -0.040 0.000 2.537 1257 S HA 0.793 5.263 4.470 -0.000 0.000 0.301 1257 S C -0.306 174.225 174.600 -0.116 0.000 1.092 1257 S CA -0.621 57.551 58.200 -0.047 0.000 1.048 1257 S CB 1.989 65.187 63.200 -0.003 0.000 1.053 1257 S HN 0.489 nan 8.310 nan 0.000 0.501 1258 K N 0.526 120.859 120.400 -0.112 0.000 2.132 1258 K HA 0.710 5.030 4.320 -0.000 0.000 0.241 1258 K C 0.144 176.765 176.600 0.035 0.000 1.000 1258 K CA -0.797 55.411 56.287 -0.132 0.000 0.911 1258 K CB 1.402 33.837 32.500 -0.109 0.000 1.093 1258 K HN 0.842 nan 8.250 nan 0.000 0.460 1259 A N 0.548 123.473 122.820 0.176 0.000 2.304 1259 A HA 0.271 4.591 4.320 -0.000 0.000 0.271 1259 A C 0.391 177.988 177.584 0.021 0.000 1.091 1259 A CA -0.350 51.752 52.037 0.108 0.000 0.812 1259 A CB 1.065 20.139 19.000 0.123 0.000 1.056 1259 A HN 0.501 nan 8.150 nan 0.000 0.489 1260 V N 1.340 121.237 119.914 -0.028 0.000 3.426 1260 V HA 0.197 4.317 4.120 -0.000 0.000 0.271 1260 V C 1.902 177.937 176.094 -0.100 0.000 1.530 1260 V CA 1.334 63.597 62.300 -0.062 0.000 1.021 1260 V CB -0.204 31.590 31.823 -0.049 0.000 0.824 1260 V HN 1.176 nan 8.190 nan 0.000 0.432 1261 G N 0.634 109.371 108.800 -0.104 0.000 2.606 1261 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.221 1261 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.221 1261 G C 1.205 176.019 174.900 -0.144 0.000 1.152 1261 G CA 1.808 46.842 45.100 -0.110 0.000 0.765 1261 G HN 0.625 nan 8.290 nan 0.000 0.595 1262 E N -0.057 119.968 120.200 -0.291 0.000 2.288 1262 E HA 0.022 4.372 4.350 -0.000 0.000 0.200 1262 E C -0.272 175.997 176.600 -0.552 0.000 0.880 1262 E CA -0.105 56.040 56.400 -0.426 0.000 0.971 1262 E CB -0.302 28.995 29.700 -0.671 0.000 0.954 1262 E HN 0.255 nan 8.360 nan 0.000 0.489 1263 P HA -0.128 nan 4.420 nan 0.000 0.216 1263 P C -1.601 175.629 177.300 -0.117 0.000 1.153 1263 P CA 1.970 64.750 63.100 -0.533 0.000 0.858 1263 P CB -0.923 30.595 31.700 -0.304 0.000 0.789 1264 P HA -0.098 nan 4.420 nan 0.000 0.226 1264 P C 1.622 179.004 177.300 0.135 0.000 1.153 1264 P CA 0.908 64.046 63.100 0.065 0.000 0.777 1264 P CB -0.398 31.337 31.700 0.059 0.000 0.794 1265 L N -1.421 119.850 121.223 0.080 0.000 2.131 1265 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 1265 L C 2.385 179.340 176.870 0.142 0.000 1.092 1265 L CA 1.238 56.119 54.840 0.069 0.000 0.759 1265 L CB -0.603 41.470 42.059 0.024 0.000 0.903 1265 L HN -0.146 nan 8.230 nan 0.000 0.435 1266 F N 0.263 120.270 119.950 0.094 0.000 2.206 1266 F HA -0.175 4.352 4.527 0.000 0.000 0.298 1266 F C 1.968 177.925 175.800 0.262 0.000 1.090 1266 F CA 1.121 59.233 58.000 0.186 0.000 1.323 1266 F CB -0.015 39.102 39.000 0.194 0.000 1.028 1266 F HN -0.040 nan 8.300 nan 0.000 0.492 1267 L N 0.665 121.854 121.223 -0.057 0.000 2.456 1267 L HA -0.287 4.053 4.340 -0.000 0.000 0.225 1267 L C 2.703 179.682 176.870 0.183 0.000 1.142 1267 L CA 0.748 55.578 54.840 -0.017 0.000 0.796 1267 L CB -1.539 40.639 42.059 0.198 0.000 0.920 1267 L HN 0.319 nan 8.230 nan 0.000 0.446 1268 A N 0.569 123.415 122.820 0.042 0.000 1.940 1268 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 1268 A C 2.667 180.371 177.584 0.200 0.000 1.176 1268 A CA 1.771 53.724 52.037 -0.141 0.000 0.631 1268 A CB -0.612 18.107 19.000 -0.468 0.000 0.814 1268 A HN 0.434 nan 8.150 nan 0.000 0.446 1269 A N 0.465 123.496 122.820 0.351 0.000 1.925 1269 A HA -0.421 3.899 4.320 -0.000 0.000 0.244 1269 A C 2.463 180.225 177.584 0.297 0.000 1.963 1269 A CA 3.722 55.884 52.037 0.209 0.000 0.753 1269 A CB -1.741 17.171 19.000 -0.147 0.000 0.842 1269 A HN 1.367 nan 8.150 nan 0.000 0.530 1270 S N -0.313 115.519 115.700 0.220 0.000 2.400 1270 S HA -0.117 4.353 4.470 -0.000 0.000 0.232 1270 S C 1.789 176.526 174.600 0.228 0.000 1.025 1270 S CA 1.546 59.893 58.200 0.245 0.000 0.993 1270 S CB -0.700 62.614 63.200 0.191 0.000 0.808 1270 S HN 0.565 nan 8.310 nan 0.000 0.478 1271 I N 0.079 120.775 120.570 0.211 0.000 2.353 1271 I HA -0.068 4.102 4.170 -0.000 0.000 0.248 1271 I C 2.305 178.491 176.117 0.115 0.000 1.119 1271 I CA 1.129 62.521 61.300 0.154 0.000 1.417 1271 I CB -0.365 37.715 38.000 0.134 0.000 1.078 1271 I HN 0.238 nan 8.210 nan 0.000 0.421 1272 F N 1.849 121.763 119.950 -0.059 0.000 2.075 1272 F HA -0.236 4.291 4.527 -0.000 0.000 0.297 1272 F C 2.080 177.659 175.800 -0.368 0.000 1.113 1272 F CA 1.762 59.597 58.000 -0.276 0.000 1.218 1272 F CB -0.640 38.067 39.000 -0.488 0.000 0.984 1272 F HN -0.091 nan 8.300 nan 0.000 0.472 1273 F N -0.009 119.879 119.950 -0.104 0.000 2.407 1273 F HA 0.020 4.547 4.527 -0.000 0.000 0.299 1273 F C 2.415 178.134 175.800 -0.136 0.000 1.097 1273 F CA 0.779 58.655 58.000 -0.206 0.000 1.422 1273 F CB -1.047 37.909 39.000 -0.074 0.000 1.067 1273 F HN 0.061 nan 8.300 nan 0.000 0.539 1274 A N 0.087 122.944 122.820 0.061 0.000 2.016 1274 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 1274 A C 2.188 179.750 177.584 -0.037 0.000 1.162 1274 A CA 0.943 53.004 52.037 0.039 0.000 0.662 1274 A CB -0.761 18.272 19.000 0.056 0.000 0.812 1274 A HN 0.382 nan 8.150 nan 0.000 0.450 1275 I N -0.708 119.785 120.570 -0.128 0.000 2.252 1275 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 1275 I C 2.526 178.540 176.117 -0.172 0.000 1.102 1275 I CA 1.326 62.515 61.300 -0.184 0.000 1.385 1275 I CB -0.197 37.646 38.000 -0.262 0.000 1.064 1275 I HN 0.290 nan 8.210 nan 0.000 0.414 1276 K N 0.651 120.880 120.400 -0.286 0.000 2.147 1276 K HA -0.249 4.071 4.320 -0.000 0.000 0.205 1276 K C 1.585 178.199 176.600 0.024 0.000 1.049 1276 K CA 1.807 57.996 56.287 -0.163 0.000 0.936 1276 K CB -0.095 32.187 32.500 -0.363 0.000 0.722 1276 K HN 0.205 nan 8.250 nan 0.000 0.446 1277 D N -0.084 120.326 120.400 0.017 0.000 2.104 1277 D HA -0.138 4.502 4.640 -0.000 0.000 0.194 1277 D C 1.619 177.961 176.300 0.070 0.000 0.994 1277 D CA 1.568 55.602 54.000 0.058 0.000 0.830 1277 D CB 0.001 40.830 40.800 0.048 0.000 0.959 1277 D HN 0.289 nan 8.370 nan 0.000 0.452 1278 A N 0.166 123.014 122.820 0.047 0.000 2.014 1278 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 1278 A C 2.238 179.861 177.584 0.066 0.000 1.163 1278 A CA 0.583 52.655 52.037 0.058 0.000 0.652 1278 A CB -0.524 18.506 19.000 0.050 0.000 0.808 1278 A HN 0.237 nan 8.150 nan 0.000 0.449 1279 I N -0.627 119.986 120.570 0.072 0.000 2.127 1279 I HA -0.281 3.889 4.170 -0.000 0.000 0.241 1279 I C 2.671 178.843 176.117 0.092 0.000 1.075 1279 I CA 1.444 62.791 61.300 0.078 0.000 1.334 1279 I CB -0.876 37.205 38.000 0.135 0.000 1.040 1279 I HN 0.373 nan 8.210 nan 0.000 0.405 1280 R N 0.873 121.500 120.500 0.212 0.000 2.143 1280 R HA -0.255 4.085 4.340 -0.000 0.000 0.239 1280 R C 2.306 178.653 176.300 0.077 0.000 1.126 1280 R CA 2.146 58.361 56.100 0.193 0.000 0.927 1280 R CB -0.931 29.468 30.300 0.166 0.000 0.860 1280 R HN 0.440 nan 8.270 nan 0.000 0.433 1281 A N 0.476 123.334 122.820 0.063 0.000 2.032 1281 A HA -0.147 4.173 4.320 -0.000 0.000 0.221 1281 A C 2.232 179.814 177.584 -0.004 0.000 1.165 1281 A CA 2.033 54.086 52.037 0.027 0.000 0.645 1281 A CB -0.396 18.628 19.000 0.041 0.000 0.807 1281 A HN 0.510 nan 8.150 nan 0.000 0.453 1282 A N -0.926 121.902 122.820 0.013 0.000 1.997 1282 A HA 0.115 4.435 4.320 -0.000 0.000 0.212 1282 A C 2.126 179.717 177.584 0.011 0.000 1.178 1282 A CA 0.802 52.853 52.037 0.024 0.000 0.698 1282 A CB -0.245 18.798 19.000 0.073 0.000 0.842 1282 A HN 0.496 nan 8.150 nan 0.000 0.458 1283 R N -0.071 120.405 120.500 -0.040 0.000 2.083 1283 R HA -0.115 4.225 4.340 -0.000 0.000 0.237 1283 R C 2.336 178.600 176.300 -0.060 0.000 1.137 1283 R CA 1.474 57.529 56.100 -0.076 0.000 0.951 1283 R CB -0.412 29.793 30.300 -0.159 0.000 0.851 1283 R HN 0.466 nan 8.270 nan 0.000 0.434 1284 A N 0.367 123.157 122.820 -0.051 0.000 2.066 1284 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 1284 A C 2.011 179.517 177.584 -0.129 0.000 1.157 1284 A CA 1.017 53.017 52.037 -0.063 0.000 0.670 1284 A CB -0.262 18.719 19.000 -0.032 0.000 0.804 1284 A HN 0.353 nan 8.150 nan 0.000 0.453 1285 Q N -0.761 118.917 119.800 -0.203 0.000 2.049 1285 Q HA -0.143 4.197 4.340 -0.000 0.000 0.198 1285 Q C 0.457 176.123 176.000 -0.557 0.000 0.971 1285 Q CA 1.585 57.134 55.803 -0.423 0.000 0.833 1285 Q CB -0.015 28.353 28.738 -0.616 0.000 0.896 1285 Q HN 0.849 nan 8.270 nan 0.000 0.434 1286 H N -1.641 117.321 119.070 -0.181 0.000 2.472 1286 H HA 0.258 4.814 4.556 -0.000 0.000 0.287 1286 H C -0.319 174.931 175.328 -0.130 0.000 1.112 1286 H CA 0.039 55.983 56.048 -0.174 0.000 1.021 1286 H CB 0.778 30.414 29.762 -0.210 0.000 1.635 1286 H HN 0.001 nan 8.280 nan 0.000 0.559 1287 T N -0.170 114.364 114.554 -0.032 0.000 3.174 1287 T HA 0.301 4.651 4.350 -0.000 0.000 0.269 1287 T C 1.612 176.288 174.700 -0.041 0.000 1.017 1287 T CA 0.586 62.664 62.100 -0.036 0.000 0.899 1287 T CB -0.215 68.627 68.868 -0.044 0.000 1.077 1287 T HN 0.771 nan 8.240 nan 0.000 0.552 1288 G N 2.848 111.614 108.800 -0.056 0.000 3.581 1288 G HA2 -0.467 3.493 3.960 -0.000 0.000 0.336 1288 G HA3 -0.467 3.493 3.960 -0.000 0.000 0.336 1288 G C 0.847 175.713 174.900 -0.056 0.000 1.259 1288 G CA 1.111 46.177 45.100 -0.057 0.000 1.001 1288 G HN 0.645 nan 8.290 nan 0.000 0.662 1289 N N 1.619 120.297 118.700 -0.037 0.000 2.269 1289 N HA 0.180 4.920 4.740 -0.000 0.000 0.236 1289 N C 0.412 175.914 175.510 -0.013 0.000 1.101 1289 N CA 0.831 53.866 53.050 -0.025 0.000 1.155 1289 N CB -0.989 37.488 38.487 -0.017 0.000 1.526 1289 N HN 1.021 nan 8.380 nan 0.000 0.582 1290 N N -0.099 118.600 118.700 -0.001 0.000 2.482 1290 N HA -0.105 4.635 4.740 -0.000 0.000 0.288 1290 N C 1.003 176.530 175.510 0.030 0.000 1.319 1290 N CA 0.728 53.788 53.050 0.016 0.000 0.671 1290 N CB -1.733 36.765 38.487 0.019 0.000 0.911 1290 N HN 0.484 nan 8.380 nan 0.000 0.531 1291 V N 0.329 120.260 119.914 0.028 0.000 2.265 1291 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 1291 V C 1.062 177.181 176.094 0.042 0.000 1.024 1291 V CA 1.667 63.985 62.300 0.029 0.000 1.038 1291 V CB -0.303 31.535 31.823 0.025 0.000 0.675 1291 V HN 0.622 nan 8.190 nan 0.000 0.485 1292 K N 0.430 120.861 120.400 0.052 0.000 2.606 1292 K HA 0.328 4.648 4.320 -0.000 0.000 0.196 1292 K C -0.256 176.391 176.600 0.080 0.000 1.048 1292 K CA -0.304 56.021 56.287 0.063 0.000 1.017 1292 K CB 0.715 33.248 32.500 0.056 0.000 1.413 1292 K HN 0.404 nan 8.250 nan 0.000 0.568 1293 E N 1.446 121.714 120.200 0.112 0.000 2.492 1293 E HA -0.069 4.281 4.350 -0.000 0.000 0.266 1293 E C -0.215 176.470 176.600 0.142 0.000 1.047 1293 E CA 0.668 57.166 56.400 0.164 0.000 0.968 1293 E CB 0.698 30.579 29.700 0.303 0.000 0.960 1293 E HN 0.417 nan 8.360 nan 0.000 0.452 1294 L N 4.671 125.982 121.223 0.146 0.000 2.470 1294 L HA 0.251 4.591 4.340 -0.000 0.000 0.253 1294 L C -0.701 176.236 176.870 0.112 0.000 1.163 1294 L CA -0.591 54.297 54.840 0.080 0.000 0.932 1294 L CB 0.061 42.154 42.059 0.057 0.000 1.213 1294 L HN 0.345 nan 8.230 nan 0.000 0.485 1295 F N 0.134 120.124 119.950 0.066 0.000 2.421 1295 F HA 0.656 5.183 4.527 -0.000 0.000 0.337 1295 F C 0.448 176.297 175.800 0.082 0.000 1.105 1295 F CA -1.386 56.652 58.000 0.063 0.000 1.049 1295 F CB 0.573 39.599 39.000 0.043 0.000 1.139 1295 F HN 0.195 nan 8.300 nan 0.000 0.479 1296 R N 3.481 124.146 120.500 0.275 0.000 2.513 1296 R HA 0.234 4.574 4.340 -0.000 0.000 0.333 1296 R C -1.629 174.834 176.300 0.272 0.000 0.925 1296 R CA -0.015 56.218 56.100 0.222 0.000 1.072 1296 R CB -0.656 29.759 30.300 0.193 0.000 0.914 1296 R HN 0.833 nan 8.270 nan 0.000 0.408 1297 L N 4.517 125.855 121.223 0.190 0.000 2.376 1297 L HA 0.486 4.826 4.340 -0.000 0.000 0.275 1297 L C -1.201 175.813 176.870 0.241 0.000 0.987 1297 L CA -0.322 54.637 54.840 0.199 0.000 0.828 1297 L CB 1.885 44.021 42.059 0.127 0.000 1.249 1297 L HN 0.594 nan 8.230 nan 0.000 0.409 1298 D N 1.983 122.513 120.400 0.217 0.000 2.198 1298 D HA 0.285 4.925 4.640 -0.000 0.000 0.247 1298 D C -0.674 175.681 176.300 0.091 0.000 1.010 1298 D CA -0.062 54.041 54.000 0.171 0.000 0.880 1298 D CB 2.188 43.097 40.800 0.182 0.000 1.209 1298 D HN 0.444 nan 8.370 nan 0.000 0.451 1299 S N 2.036 117.673 115.700 -0.104 0.000 2.439 1299 S HA 0.545 5.015 4.470 -0.000 0.000 0.282 1299 S C -2.713 171.776 174.600 -0.186 0.000 1.170 1299 S CA -0.997 57.045 58.200 -0.263 0.000 1.054 1299 S CB 0.564 63.468 63.200 -0.494 0.000 0.956 1299 S HN 0.123 nan 8.310 nan 0.000 0.490 1300 P HA 0.426 nan 4.420 nan 0.000 0.309 1300 P C -1.477 175.825 177.300 0.002 0.000 1.438 1300 P CA -0.730 62.329 63.100 -0.069 0.000 1.059 1300 P CB 1.757 33.424 31.700 -0.055 0.000 1.231 1301 A N 2.161 125.019 122.820 0.063 0.000 3.056 1301 A HA 0.405 4.725 4.320 -0.000 0.000 0.274 1301 A C 0.626 178.232 177.584 0.037 0.000 1.661 1301 A CA -0.033 52.069 52.037 0.107 0.000 1.363 1301 A CB -1.385 17.753 19.000 0.230 0.000 1.139 1301 A HN 0.550 nan 8.150 nan 0.000 0.598 1302 T N -0.290 114.270 114.554 0.010 0.000 2.795 1302 T HA 0.210 4.560 4.350 -0.000 0.000 0.314 1302 T C -1.490 173.160 174.700 -0.084 0.000 1.069 1302 T CA -0.956 61.135 62.100 -0.015 0.000 1.071 1302 T CB 0.075 68.936 68.868 -0.011 0.000 0.988 1302 T HN 0.207 nan 8.240 nan 0.000 0.543 1303 P HA -0.288 nan 4.420 nan 0.000 0.224 1303 P C 1.590 178.435 177.300 -0.758 0.000 1.153 1303 P CA 1.743 64.711 63.100 -0.220 0.000 0.947 1303 P CB 0.002 31.675 31.700 -0.045 0.000 0.790 1304 E N -0.229 119.388 120.200 -0.970 0.000 2.026 1304 E HA -0.275 4.075 4.350 -0.000 0.000 0.206 1304 E C 1.842 178.126 176.600 -0.527 0.000 1.028 1304 E CA 1.835 57.570 56.400 -1.109 0.000 0.845 1304 E CB -0.357 29.183 29.700 -0.266 0.000 0.772 1304 E HN 0.154 nan 8.360 nan 0.000 0.462 1305 K N -0.114 120.144 120.400 -0.236 0.000 2.442 1305 K HA -0.055 4.265 4.320 -0.000 0.000 0.198 1305 K C 2.022 178.562 176.600 -0.101 0.000 1.042 1305 K CA 0.548 56.776 56.287 -0.099 0.000 0.958 1305 K CB 0.069 32.563 32.500 -0.011 0.000 0.766 1305 K HN 0.298 nan 8.250 nan 0.000 0.474 1306 I N -0.374 120.096 120.570 -0.167 0.000 2.385 1306 I HA -0.130 4.040 4.170 -0.000 0.000 0.244 1306 I C 2.313 178.364 176.117 -0.110 0.000 1.089 1306 I CA 0.440 61.673 61.300 -0.110 0.000 1.410 1306 I CB -0.110 37.835 38.000 -0.091 0.000 1.117 1306 I HN 0.019 nan 8.210 nan 0.000 0.429 1307 R N 1.992 122.382 120.500 -0.184 0.000 2.127 1307 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 1307 R C 1.814 178.100 176.300 -0.023 0.000 1.134 1307 R CA 1.631 57.690 56.100 -0.068 0.000 0.975 1307 R CB -0.682 29.613 30.300 -0.009 0.000 0.865 1307 R HN 0.300 nan 8.270 nan 0.000 0.447 1308 N N 0.031 118.691 118.700 -0.066 0.000 2.188 1308 N HA -0.066 4.674 4.740 -0.000 0.000 0.184 1308 N C 1.022 176.517 175.510 -0.025 0.000 1.018 1308 N CA 1.669 54.713 53.050 -0.011 0.000 0.858 1308 N CB -0.299 38.180 38.487 -0.013 0.000 0.989 1308 N HN 0.338 nan 8.380 nan 0.000 0.426 1309 A N -0.824 121.963 122.820 -0.055 0.000 2.278 1309 A HA 0.120 4.440 4.320 -0.000 0.000 0.212 1309 A C 0.672 178.166 177.584 -0.150 0.000 1.213 1309 A CA -0.114 51.859 52.037 -0.107 0.000 0.840 1309 A CB -0.242 18.700 19.000 -0.095 0.000 0.866 1309 A HN 0.280 nan 8.150 nan 0.000 0.489 1310 C N 0.911 120.163 119.300 -0.080 0.000 2.560 1310 C HA 0.399 4.859 4.460 -0.000 0.000 0.506 1310 C C 0.715 175.675 174.990 -0.050 0.000 1.116 1310 C CA -0.757 58.227 59.018 -0.057 0.000 1.425 1310 C CB -1.593 26.151 27.740 0.006 0.000 1.543 1310 C HN 0.395 nan 8.230 nan 0.000 0.586 1311 V N 4.321 124.186 119.914 -0.081 0.000 2.439 1311 V HA 0.397 4.517 4.120 -0.000 0.000 0.271 1311 V C -0.127 175.915 176.094 -0.086 0.000 1.040 1311 V CA 0.723 62.980 62.300 -0.072 0.000 1.002 1311 V CB 0.404 32.186 31.823 -0.068 0.000 1.000 1311 V HN 0.837 nan 8.190 nan 0.000 0.477 1312 D N 4.500 124.821 120.400 -0.131 0.000 2.744 1312 D HA 0.379 5.019 4.640 -0.000 0.000 0.304 1312 D C 0.758 176.878 176.300 -0.300 0.000 1.179 1312 D CA -0.648 53.202 54.000 -0.249 0.000 1.024 1312 D CB 0.922 41.482 40.800 -0.399 0.000 1.453 1312 D HN 0.307 nan 8.370 nan 0.000 0.529 1313 K N -0.199 119.916 120.400 -0.474 0.000 2.128 1313 K HA -0.258 4.062 4.320 -0.000 0.000 0.220 1313 K C 1.948 178.374 176.600 -0.290 0.000 1.049 1313 K CA 2.266 58.256 56.287 -0.496 0.000 0.948 1313 K CB -0.813 31.182 32.500 -0.843 0.000 0.742 1313 K HN 0.524 nan 8.250 nan 0.000 0.465 1314 F N 0.535 120.420 119.950 -0.109 0.000 2.123 1314 F HA -0.126 4.401 4.527 -0.000 0.000 0.289 1314 F C 3.100 178.865 175.800 -0.060 0.000 1.099 1314 F CA 0.809 58.752 58.000 -0.093 0.000 1.234 1314 F CB -1.233 37.692 39.000 -0.126 0.000 1.034 1314 F HN 0.126 nan 8.300 nan 0.000 0.479 1315 T N 0.189 114.810 114.554 0.112 0.000 2.624 1315 T HA -0.303 4.047 4.350 -0.000 0.000 0.266 1315 T C 1.855 176.578 174.700 0.039 0.000 1.050 1315 T CA 3.031 65.166 62.100 0.060 0.000 1.163 1315 T CB -1.093 67.787 68.868 0.021 0.000 0.861 1315 T HN 0.392 nan 8.240 nan 0.000 0.443 1316 T N 3.101 117.664 114.554 0.014 0.000 2.522 1316 T HA -0.237 4.113 4.350 -0.000 0.000 0.253 1316 T C 1.870 176.587 174.700 0.029 0.000 1.218 1316 T CA 2.079 64.186 62.100 0.011 0.000 1.155 1316 T CB -1.057 67.812 68.868 0.000 0.000 0.855 1316 T HN 0.381 nan 8.240 nan 0.000 0.435 1317 L N 0.558 121.810 121.223 0.048 0.000 2.129 1317 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 1317 L C 2.575 179.467 176.870 0.037 0.000 1.087 1317 L CA 1.295 56.163 54.840 0.046 0.000 0.757 1317 L CB -0.987 41.112 42.059 0.066 0.000 0.896 1317 L HN 0.598 nan 8.230 nan 0.000 0.434 1318 c N -1.691 116.935 118.600 0.043 0.000 6.305 1318 c HA 0.219 4.789 4.570 -0.000 0.000 0.181 1318 c C 1.586 175.706 174.090 0.049 0.000 2.017 1318 c CA -0.105 56.253 56.329 0.049 0.000 1.655 1318 c CB -0.244 42.291 42.510 0.041 0.000 1.988 1318 c HN 0.335 nan 8.230 nan 0.000 0.284 1319 V N 1.639 121.583 119.914 0.049 0.000 5.831 1319 V HA -0.118 4.002 4.120 -0.000 0.000 0.322 1319 V C 0.380 176.502 176.094 0.048 0.000 0.451 1319 V CA 0.807 63.134 62.300 0.045 0.000 0.687 1319 V CB -3.448 28.396 31.823 0.035 0.000 0.395 1319 V HN 1.361 nan 8.190 nan 0.000 1.284 1327 K N 0.489 120.916 120.400 0.045 0.000 7.820 1327 K HA 0.176 4.496 4.320 -0.000 0.000 0.306 1327 K C -2.194 174.454 176.600 0.081 0.000 1.548 1327 K CA 1.062 57.386 56.287 0.062 0.000 0.946 1327 K CB -1.944 30.595 32.500 0.066 0.000 0.808 1327 K HN 0.431 nan 8.250 nan 0.000 0.525 1328 P HA 0.297 nan 4.420 nan 0.000 0.207 1328 P C 0.357 177.831 177.300 0.290 0.000 1.109 1328 P CA 0.740 63.943 63.100 0.173 0.000 0.736 1328 P CB 0.575 32.377 31.700 0.170 0.000 0.912 1329 W N -0.524 120.838 121.300 0.102 0.000 1.686 1329 W HA 0.294 4.954 4.660 0.000 0.000 0.209 1329 W C -0.719 175.929 176.519 0.215 0.000 0.828 1329 W CA 0.688 58.124 57.345 0.151 0.000 0.960 1329 W CB 0.575 30.113 29.460 0.131 0.000 0.883 1329 W HN 0.198 nan 8.180 nan 0.000 0.533 1330 S N -0.728 115.166 115.700 0.323 0.000 2.588 1330 S HA 0.686 5.156 4.470 -0.000 0.000 0.269 1330 S C -0.944 173.754 174.600 0.164 0.000 1.157 1330 S CA -0.148 58.224 58.200 0.286 0.000 0.824 1330 S CB 2.175 65.664 63.200 0.481 0.000 1.126 1330 S HN 0.123 nan 8.310 nan 0.000 0.464 1331 V N -0.578 119.411 119.914 0.125 0.000 5.313 1331 V HA 0.793 4.913 4.120 -0.000 0.000 0.120 1331 V C 0.197 176.314 176.094 0.039 0.000 1.155 1331 V CA 1.312 63.651 62.300 0.065 0.000 1.083 1331 V CB 0.316 32.157 31.823 0.030 0.000 1.455 1331 V HN 1.577 nan 8.190 nan 0.000 0.640 1332 R N 0.000 120.504 120.500 0.007 0.000 2.786 1332 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 1332 R CA 0.000 56.104 56.100 0.007 0.000 0.921 1332 R CB 0.000 30.249 30.300 -0.085 0.000 0.687 1332 R HN 0.000 nan 8.270 nan 0.000 0.535